NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
17839 | 2d7q | 10332 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 9.033 -26.587 -19.404 2 HA2 GLY 1 1HA GLY 1 11.042 -28.330 -18.891 3 HA3 GLY 1 2HA GLY 1 10.784 -26.886 -17.923 4 H SER 2 H SER 2 11.963 -28.984 -16.725 5 HA SER 2 HA SER 2 10.530 -30.996 -15.577 6 HB2 SER 2 1HB SER 2 12.610 -29.255 -14.232 7 HB3 SER 2 2HB SER 2 12.063 -30.818 -13.626 8 HG SER 2 HG SER 2 13.294 -31.772 -15.035 9 H SER 3 H SER 3 9.457 -31.252 -13.538 10 HA SER 3 HA SER 3 7.547 -29.194 -13.038 11 HB2 SER 3 1HB SER 3 7.367 -31.813 -12.774 12 HB3 SER 3 2HB SER 3 7.937 -31.475 -11.140 13 HG SER 3 HG SER 3 5.589 -31.469 -11.474 14 H GLY 4 H GLY 4 7.338 -27.820 -11.309 15 HA2 GLY 4 1HA GLY 4 8.690 -27.883 -8.895 16 HA3 GLY 4 2HA GLY 4 9.737 -27.012 -10.006 17 H SER 5 H SER 5 8.221 -26.151 -7.582 18 HA SER 5 HA SER 5 6.054 -24.517 -8.336 19 HB2 SER 5 1HB SER 5 6.463 -23.365 -6.157 20 HB3 SER 5 2HB SER 5 6.380 -25.120 -6.014 21 HG SER 5 HG SER 5 8.879 -23.936 -6.425 22 H SER 6 H SER 6 5.975 -22.627 -9.354 23 HA SER 6 HA SER 6 8.356 -21.399 -10.340 24 HB2 SER 6 1HB SER 6 5.432 -20.676 -10.493 25 HB3 SER 6 2HB SER 6 6.686 -19.637 -11.170 26 HG SER 6 HG SER 6 6.277 -22.366 -11.838 27 H GLY 7 H GLY 7 9.495 -20.820 -8.436 28 HA2 GLY 7 1HA GLY 7 10.207 -19.319 -6.853 29 HA3 GLY 7 2HA GLY 7 9.130 -18.156 -7.612 30 H ALA 8 H ALA 8 9.323 -20.726 -5.209 31 HA ALA 8 HA ALA 8 6.718 -20.063 -4.121 32 HB1 ALA 8 1HB ALA 8 8.440 -21.822 -2.536 33 HB2 ALA 8 2HB ALA 8 6.793 -22.066 -3.119 34 HB3 ALA 8 3HB ALA 8 8.161 -22.374 -4.189 35 H GLY 9 H GLY 9 6.342 -19.224 -2.047 36 HA2 GLY 9 1HA GLY 9 8.629 -18.205 -0.541 37 HA3 GLY 9 2HA GLY 9 7.502 -17.015 -1.176 38 H ASP 10 H ASP 10 7.702 -16.820 1.385 39 HA ASP 10 HA ASP 10 5.409 -18.303 2.497 40 HB2 ASP 10 1HB ASP 10 7.502 -17.135 4.285 41 HB3 ASP 10 2HB ASP 10 6.456 -18.528 4.547 42 HA PRO 11 HA PRO 11 4.028 -13.966 2.442 43 HB2 PRO 11 1HB PRO 11 1.387 -14.596 2.406 44 HB3 PRO 11 2HB PRO 11 2.389 -14.572 0.949 45 HG2 PRO 11 1HG PRO 11 1.540 -16.902 2.626 46 HG3 PRO 11 2HG PRO 11 1.596 -16.756 0.860 47 HD2 PRO 11 1HD PRO 11 3.519 -18.030 2.277 48 HD3 PRO 11 2HD PRO 11 3.864 -17.154 0.772 49 H GLY 12 H GLY 12 3.197 -16.649 4.532 50 HA2 GLY 12 1HA GLY 12 1.686 -15.270 6.459 51 HA3 GLY 12 2HA GLY 12 2.597 -16.746 6.744 52 H LEU 13 H LEU 13 5.110 -15.359 5.879 53 HA LEU 13 HA LEU 13 5.665 -14.110 8.465 54 HB2 LEU 13 1HB LEU 13 7.658 -14.845 6.337 55 HB3 LEU 13 2HB LEU 13 7.962 -14.526 8.044 56 HG LEU 13 HG LEU 13 6.606 -16.944 6.857 57 HD11 LEU 13 1HD1 LEU 13 8.540 -18.053 8.102 58 HD12 LEU 13 2HD1 LEU 13 9.261 -16.445 8.163 59 HD13 LEU 13 3HD1 LEU 13 8.918 -17.198 6.606 60 HD21 LEU 13 1HD2 LEU 13 6.358 -17.771 9.105 61 HD22 LEU 13 2HD2 LEU 13 5.537 -16.216 8.967 62 HD23 LEU 13 3HD2 LEU 13 7.109 -16.317 9.763 63 H VAL 14 H VAL 14 4.347 -12.882 5.974 64 HA VAL 14 HA VAL 14 6.135 -10.545 5.773 65 HB VAL 14 HB VAL 14 4.161 -11.572 3.729 66 HG11 VAL 14 1HG1 VAL 14 5.591 -8.989 4.014 67 HG12 VAL 14 2HG1 VAL 14 5.475 -9.686 2.397 68 HG13 VAL 14 3HG1 VAL 14 4.010 -9.339 3.316 69 HG21 VAL 14 1HG2 VAL 14 6.114 -11.963 2.341 70 HG22 VAL 14 2HG2 VAL 14 7.169 -11.353 3.616 71 HG23 VAL 14 3HG2 VAL 14 6.261 -12.845 3.860 72 H SER 15 H SER 15 5.371 -8.653 6.469 73 HA SER 15 HA SER 15 2.490 -8.200 6.601 74 HB2 SER 15 1HB SER 15 4.348 -8.188 8.973 75 HB3 SER 15 2HB SER 15 2.855 -7.250 8.969 76 HG SER 15 HG SER 15 2.303 -9.190 9.814 77 H ALA 16 H ALA 16 1.932 -5.944 6.955 78 HA ALA 16 HA ALA 16 4.109 -4.108 6.191 79 HB1 ALA 16 1HB ALA 16 2.508 -4.574 4.345 80 HB2 ALA 16 2HB ALA 16 1.230 -3.869 5.335 81 HB3 ALA 16 3HB ALA 16 2.588 -2.874 4.810 82 H TYR 17 H TYR 17 4.199 -2.132 7.192 83 HA TYR 17 HA TYR 17 2.135 -1.526 9.193 84 HB2 TYR 17 1HB TYR 17 3.899 -0.864 10.795 85 HB3 TYR 17 2HB TYR 17 3.971 -2.577 10.397 86 HD1 TYR 17 1HD TYR 17 5.595 0.693 9.895 87 HD2 TYR 17 2HD TYR 17 5.870 -3.508 9.275 88 HE1 TYR 17 1HE TYR 17 7.961 0.945 9.273 89 HE2 TYR 17 2HE TYR 17 8.237 -3.267 8.652 90 HH TYR 17 HH TYR 17 9.921 -1.864 8.326 91 H GLY 18 H GLY 18 1.655 0.613 9.456 92 HA2 GLY 18 1HA GLY 18 3.012 2.881 9.089 93 HA3 GLY 18 2HA GLY 18 2.714 2.407 7.423 94 HA PRO 19 HA PRO 19 -0.949 4.719 9.434 95 HB2 PRO 19 1HB PRO 19 -0.529 7.183 8.373 96 HB3 PRO 19 2HB PRO 19 0.120 6.689 9.941 97 HG2 PRO 19 1HG PRO 19 1.479 6.790 7.276 98 HG3 PRO 19 2HG PRO 19 2.087 7.298 8.862 99 HD2 PRO 19 1HD PRO 19 2.771 4.937 7.728 100 HD3 PRO 19 2HD PRO 19 2.627 5.146 9.485 101 H GLY 20 H GLY 20 0.489 4.302 6.336 102 HA2 GLY 20 1HA GLY 20 -1.658 5.348 4.765 103 HA3 GLY 20 2HA GLY 20 -0.361 4.309 4.194 104 H LEU 21 H LEU 21 -0.954 2.229 6.187 105 HA LEU 21 HA LEU 21 -2.961 0.840 4.664 106 HB2 LEU 21 1HB LEU 21 -1.651 -0.084 7.208 107 HB3 LEU 21 2HB LEU 21 -2.401 -1.073 5.957 108 HG LEU 21 HG LEU 21 0.025 0.575 5.344 109 HD11 LEU 21 1HD1 LEU 21 0.276 -2.272 6.201 110 HD12 LEU 21 2HD1 LEU 21 0.261 -0.992 7.414 111 HD13 LEU 21 3HD1 LEU 21 1.495 -0.998 6.154 112 HD21 LEU 21 1HD2 LEU 21 -1.482 -1.668 4.122 113 HD22 LEU 21 2HD2 LEU 21 0.269 -1.649 3.910 114 HD23 LEU 21 3HD2 LEU 21 -0.701 -0.279 3.365 115 H GLU 22 H GLU 22 -2.729 2.355 7.821 116 HA GLU 22 HA GLU 22 -5.384 1.430 8.576 117 HB2 GLU 22 1HB GLU 22 -3.152 2.843 9.966 118 HB3 GLU 22 2HB GLU 22 -4.783 3.038 10.592 119 HG2 GLU 22 1HG GLU 22 -4.915 0.499 10.596 120 HG3 GLU 22 2HG GLU 22 -3.169 0.524 10.351 121 H GLY 23 H GLY 23 -3.859 4.187 7.181 122 HA2 GLY 23 1HA GLY 23 -5.282 5.738 5.964 123 HA3 GLY 23 2HA GLY 23 -6.444 5.608 7.275 124 H GLY 24 H GLY 24 -6.059 8.072 6.772 125 HA2 GLY 24 1HA GLY 24 -4.737 9.133 9.056 126 HA3 GLY 24 2HA GLY 24 -3.790 9.424 7.605 127 H THR 25 H THR 25 -4.132 11.321 6.683 128 HA THR 25 HA THR 25 -6.829 12.492 6.822 129 HB THR 25 HB THR 25 -4.223 13.980 7.198 130 HG1 THR 25 1HG THR 25 -4.780 14.074 9.284 131 HG21 THR 25 1HG2 THR 25 -5.703 15.944 7.594 132 HG22 THR 25 2HG2 THR 25 -7.069 14.976 7.038 133 HG23 THR 25 3HG2 THR 25 -5.747 15.353 5.934 134 H THR 26 H THR 26 -7.358 13.959 5.109 135 HA THR 26 HA THR 26 -6.464 13.088 2.569 136 HB THR 26 HB THR 26 -7.808 15.043 1.701 137 HG1 THR 26 1HG THR 26 -8.397 16.521 3.087 138 HG21 THR 26 1HG2 THR 26 -9.988 14.110 2.479 139 HG22 THR 26 2HG2 THR 26 -9.100 13.122 3.639 140 HG23 THR 26 3HG2 THR 26 -8.854 12.887 1.909 141 H GLY 27 H GLY 27 -5.402 14.310 0.919 142 HA2 GLY 27 1HA GLY 27 -3.698 15.617 0.109 143 HA3 GLY 27 2HA GLY 27 -4.219 16.822 1.278 144 H VAL 28 H VAL 28 -3.300 13.763 2.533 145 HA VAL 28 HA VAL 28 -0.699 14.885 3.354 146 HB VAL 28 HB VAL 28 -2.536 13.083 4.937 147 HG11 VAL 28 1HG1 VAL 28 -0.755 12.392 6.066 148 HG12 VAL 28 2HG1 VAL 28 0.300 13.386 5.059 149 HG13 VAL 28 3HG1 VAL 28 -0.417 14.062 6.522 150 HG21 VAL 28 1HG2 VAL 28 -2.010 15.979 4.904 151 HG22 VAL 28 2HG2 VAL 28 -3.441 15.091 5.426 152 HG23 VAL 28 3HG2 VAL 28 -2.051 15.231 6.501 153 H SER 29 H SER 29 0.803 13.881 2.172 154 HA SER 29 HA SER 29 0.682 11.513 0.829 155 HB2 SER 29 1HB SER 29 3.198 11.418 1.094 156 HB3 SER 29 2HB SER 29 2.566 12.951 0.493 157 HG SER 29 HG SER 29 2.642 13.641 2.762 158 H SER 30 H SER 30 -0.023 9.632 1.606 159 HA SER 30 HA SER 30 0.930 8.740 4.240 160 HB2 SER 30 1HB SER 30 -1.410 7.697 2.627 161 HB3 SER 30 2HB SER 30 -0.983 7.230 4.273 162 HG SER 30 HG SER 30 -1.277 9.522 4.791 163 H GLU 31 H GLU 31 2.285 7.073 4.397 164 HA GLU 31 HA GLU 31 2.542 5.234 2.120 165 HB2 GLU 31 1HB GLU 31 4.919 5.325 2.160 166 HB3 GLU 31 2HB GLU 31 4.352 6.988 2.110 167 HG2 GLU 31 1HG GLU 31 5.035 7.436 4.247 168 HG3 GLU 31 2HG GLU 31 4.918 5.752 4.754 169 H PHE 32 H PHE 32 4.143 3.375 2.859 170 HA PHE 32 HA PHE 32 4.055 2.663 5.624 171 HB2 PHE 32 1HB PHE 32 2.613 0.658 5.348 172 HB3 PHE 32 2HB PHE 32 1.736 2.168 5.123 173 HD1 PHE 32 1HD PHE 32 3.107 -0.792 3.449 174 HD2 PHE 32 2HD PHE 32 0.810 2.762 2.997 175 HE1 PHE 32 1HE PHE 32 2.319 -1.584 1.257 176 HE2 PHE 32 2HE PHE 32 0.018 1.975 0.804 177 HZ PHE 32 HZ PHE 32 0.772 -0.201 -0.068 178 H ILE 33 H ILE 33 5.298 0.828 6.097 179 HA ILE 33 HA ILE 33 7.016 -0.033 3.882 180 HB ILE 33 HB ILE 33 7.416 -0.033 6.865 181 HG12 ILE 33 1HG1 ILE 33 8.995 1.185 4.589 182 HG13 ILE 33 2HG1 ILE 33 7.877 2.057 5.632 183 HG21 ILE 33 1HG2 ILE 33 9.706 -1.008 6.252 184 HG22 ILE 33 2HG2 ILE 33 8.326 -2.105 6.295 185 HG23 ILE 33 3HG2 ILE 33 8.936 -1.516 4.749 186 HD11 ILE 33 1HD1 ILE 33 9.476 1.039 7.501 187 HD12 ILE 33 2HD1 ILE 33 10.620 1.108 6.159 188 HD13 ILE 33 3HD1 ILE 33 9.797 2.574 6.694 189 H VAL 34 H VAL 34 7.329 -2.164 3.370 190 HA VAL 34 HA VAL 34 5.502 -4.079 4.668 191 HB VAL 34 HB VAL 34 6.595 -4.143 1.851 192 HG11 VAL 34 1HG1 VAL 34 4.519 -5.937 3.095 193 HG12 VAL 34 2HG1 VAL 34 5.245 -6.078 1.493 194 HG13 VAL 34 3HG1 VAL 34 6.220 -6.370 2.934 195 HG21 VAL 34 1HG2 VAL 34 4.743 -2.446 2.577 196 HG22 VAL 34 2HG2 VAL 34 4.567 -3.365 1.082 197 HG23 VAL 34 3HG2 VAL 34 3.702 -3.869 2.534 198 H ASN 35 H ASN 35 6.731 -5.086 6.167 199 HA ASN 35 HA ASN 35 9.478 -5.734 5.783 200 HB2 ASN 35 1HB ASN 35 8.954 -5.494 8.027 201 HB3 ASN 35 2HB ASN 35 7.420 -6.345 7.868 202 HD21 ASN 35 1HD2 ASN 35 10.914 -6.791 7.845 203 HD22 ASN 35 2HD2 ASN 35 10.891 -8.416 8.432 204 H THR 36 H THR 36 9.871 -7.053 4.076 205 HA THR 36 HA THR 36 8.440 -9.624 3.978 206 HB THR 36 HB THR 36 9.293 -9.777 1.626 207 HG1 THR 36 1HG THR 36 10.719 -8.344 1.032 208 HG21 THR 36 1HG2 THR 36 7.110 -8.412 2.621 209 HG22 THR 36 2HG2 THR 36 7.369 -8.862 0.935 210 HG23 THR 36 3HG2 THR 36 7.834 -7.259 1.501 211 H LEU 37 H LEU 37 11.244 -8.330 5.079 212 HA LEU 37 HA LEU 37 13.284 -9.975 4.157 213 HB2 LEU 37 1HB LEU 37 12.965 -8.931 6.965 214 HB3 LEU 37 2HB LEU 37 14.468 -9.425 6.189 215 HG LEU 37 HG LEU 37 12.795 -7.083 5.288 216 HD11 LEU 37 1HD1 LEU 37 14.781 -7.346 7.436 217 HD12 LEU 37 2HD1 LEU 37 13.522 -6.136 7.190 218 HD13 LEU 37 3HD1 LEU 37 15.051 -6.006 6.321 219 HD21 LEU 37 1HD2 LEU 37 14.998 -6.477 4.199 220 HD22 LEU 37 2HD2 LEU 37 14.133 -7.845 3.498 221 HD23 LEU 37 3HD2 LEU 37 15.520 -8.124 4.552 222 H ASN 38 H ASN 38 11.259 -10.426 7.058 223 HA ASN 38 HA ASN 38 12.240 -12.808 7.975 224 HB2 ASN 38 1HB ASN 38 9.507 -11.593 7.994 225 HB3 ASN 38 2HB ASN 38 9.705 -13.246 8.571 226 HD21 ASN 38 1HD2 ASN 38 12.063 -10.664 8.858 227 HD22 ASN 38 2HD2 ASN 38 12.010 -10.555 10.581 228 H ALA 39 H ALA 39 10.177 -12.261 5.202 229 HA ALA 39 HA ALA 39 9.410 -14.948 4.761 230 HB1 ALA 39 1HB ALA 39 8.889 -12.468 3.576 231 HB2 ALA 39 2HB ALA 39 9.599 -13.464 2.305 232 HB3 ALA 39 3HB ALA 39 8.167 -14.025 3.169 233 H GLY 40 H GLY 40 11.808 -12.973 2.988 234 HA2 GLY 40 1HA GLY 40 14.072 -14.184 2.924 235 HA3 GLY 40 2HA GLY 40 13.136 -15.481 2.196 236 H SER 41 H SER 41 11.699 -14.612 0.294 237 HA SER 41 HA SER 41 12.648 -12.426 -1.227 238 HB2 SER 41 1HB SER 41 14.509 -14.300 -1.355 239 HB3 SER 41 2HB SER 41 13.415 -14.998 -2.549 240 HG SER 41 HG SER 41 13.490 -12.607 -3.322 241 H GLY 42 H GLY 42 11.556 -12.211 -3.267 242 HA2 GLY 42 1HA GLY 42 9.963 -13.815 -4.674 243 HA3 GLY 42 2HA GLY 42 8.978 -13.567 -3.240 244 H ALA 43 H ALA 43 7.739 -12.789 -5.366 245 HA ALA 43 HA ALA 43 8.342 -10.001 -5.966 246 HB1 ALA 43 1HB ALA 43 5.999 -10.641 -7.286 247 HB2 ALA 43 2HB ALA 43 7.628 -10.687 -7.962 248 HB3 ALA 43 3HB ALA 43 6.911 -12.151 -7.288 249 H LEU 44 H LEU 44 6.656 -8.364 -5.850 250 HA LEU 44 HA LEU 44 4.652 -8.896 -3.761 251 HB2 LEU 44 1HB LEU 44 6.315 -7.680 -2.634 252 HB3 LEU 44 2HB LEU 44 6.569 -6.600 -4.003 253 HG LEU 44 HG LEU 44 4.228 -5.718 -3.549 254 HD11 LEU 44 1HD1 LEU 44 3.082 -7.035 -2.127 255 HD12 LEU 44 2HD1 LEU 44 3.895 -6.066 -0.899 256 HD13 LEU 44 3HD1 LEU 44 4.540 -7.646 -1.345 257 HD21 LEU 44 1HD2 LEU 44 6.027 -5.203 -1.221 258 HD22 LEU 44 2HD2 LEU 44 5.062 -4.071 -2.168 259 HD23 LEU 44 3HD2 LEU 44 6.542 -4.750 -2.846 260 H SER 45 H SER 45 2.662 -7.988 -4.046 261 HA SER 45 HA SER 45 2.283 -6.343 -6.462 262 HB2 SER 45 1HB SER 45 0.817 -8.781 -5.543 263 HB3 SER 45 2HB SER 45 -0.080 -7.530 -6.404 264 HG SER 45 HG SER 45 1.857 -7.743 -7.932 265 H VAL 46 H VAL 46 1.827 -4.361 -5.751 266 HA VAL 46 HA VAL 46 -0.051 -4.078 -3.497 267 HB VAL 46 HB VAL 46 1.997 -2.080 -4.466 268 HG11 VAL 46 1HG1 VAL 46 -0.002 -1.049 -3.490 269 HG12 VAL 46 2HG1 VAL 46 0.211 -2.025 -2.036 270 HG13 VAL 46 3HG1 VAL 46 1.418 -0.814 -2.471 271 HG21 VAL 46 1HG2 VAL 46 2.235 -3.196 -1.765 272 HG22 VAL 46 2HG2 VAL 46 2.520 -4.353 -3.065 273 HG23 VAL 46 3HG2 VAL 46 3.478 -2.875 -2.974 274 H THR 47 H THR 47 -1.811 -2.748 -3.690 275 HA THR 47 HA THR 47 -2.183 -1.066 -6.002 276 HB THR 47 HB THR 47 -4.479 -2.330 -6.395 277 HG1 THR 47 1HG THR 47 -2.717 -4.365 -5.449 278 HG21 THR 47 1HG2 THR 47 -3.601 -2.874 -8.396 279 HG22 THR 47 2HG2 THR 47 -2.300 -3.823 -7.677 280 HG23 THR 47 3HG2 THR 47 -2.153 -2.070 -7.793 281 H ILE 48 H ILE 48 -4.169 0.186 -5.893 282 HA ILE 48 HA ILE 48 -5.425 0.199 -3.234 283 HB ILE 48 HB ILE 48 -4.456 2.639 -4.729 284 HG12 ILE 48 1HG1 ILE 48 -3.629 1.634 -2.003 285 HG13 ILE 48 2HG1 ILE 48 -2.745 1.254 -3.477 286 HG21 ILE 48 1HG2 ILE 48 -6.209 2.303 -2.327 287 HG22 ILE 48 2HG2 ILE 48 -5.206 3.740 -2.513 288 HG23 ILE 48 3HG2 ILE 48 -6.423 3.353 -3.728 289 HD11 ILE 48 1HD1 ILE 48 -3.180 3.973 -2.271 290 HD12 ILE 48 2HD1 ILE 48 -1.665 3.075 -2.377 291 HD13 ILE 48 3HD1 ILE 48 -2.432 3.687 -3.842 292 H ASP 49 H ASP 49 -7.541 1.102 -3.153 293 HA ASP 49 HA ASP 49 -8.855 1.820 -5.632 294 HB2 ASP 49 1HB ASP 49 -8.842 -0.782 -5.286 295 HB3 ASP 49 2HB ASP 49 -10.111 -0.436 -4.114 296 H GLY 50 H GLY 50 -10.160 3.464 -5.189 297 HA2 GLY 50 1HA GLY 50 -11.819 3.425 -2.804 298 HA3 GLY 50 2HA GLY 50 -10.619 4.708 -2.864 299 HA PRO 51 HA PRO 51 -14.492 6.291 -4.841 300 HB2 PRO 51 1HB PRO 51 -14.419 8.699 -3.590 301 HB3 PRO 51 2HB PRO 51 -15.169 7.267 -2.875 302 HG2 PRO 51 1HG PRO 51 -12.460 8.438 -2.371 303 HG3 PRO 51 2HG PRO 51 -13.636 7.797 -1.208 304 HD2 PRO 51 1HD PRO 51 -11.493 6.371 -2.050 305 HD3 PRO 51 2HD PRO 51 -13.037 5.609 -1.618 306 H SER 52 H SER 52 -11.198 7.162 -4.713 307 HA SER 52 HA SER 52 -11.344 8.429 -7.288 308 HB2 SER 52 1HB SER 52 -10.497 10.048 -4.874 309 HB3 SER 52 2HB SER 52 -10.225 10.537 -6.547 310 HG SER 52 HG SER 52 -12.383 10.927 -5.087 311 H LYS 53 H LYS 53 -9.662 7.681 -8.376 312 HA LYS 53 HA LYS 53 -7.685 6.055 -7.541 313 HB2 LYS 53 1HB LYS 53 -7.693 8.118 -9.724 314 HB3 LYS 53 2HB LYS 53 -6.271 7.122 -9.440 315 HG2 LYS 53 1HG LYS 53 -7.308 5.197 -10.134 316 HG3 LYS 53 2HG LYS 53 -8.922 5.802 -9.756 317 HD2 LYS 53 1HD LYS 53 -8.812 7.323 -11.657 318 HD3 LYS 53 2HD LYS 53 -7.176 6.770 -12.021 319 HE2 LYS 53 1HE LYS 53 -9.360 4.754 -11.843 320 HE3 LYS 53 2HE LYS 53 -9.276 5.781 -13.274 321 HZ1 LYS 53 1HZ LYS 53 -7.035 5.031 -13.668 322 HZ2 LYS 53 2HZ LYS 53 -8.060 3.691 -13.548 323 HZ3 LYS 53 3HZ LYS 53 -7.049 4.101 -12.255 324 H VAL 54 H VAL 54 -5.516 6.235 -6.888 325 HA VAL 54 HA VAL 54 -4.717 8.867 -5.838 326 HB VAL 54 HB VAL 54 -3.689 7.699 -3.888 327 HG11 VAL 54 1HG1 VAL 54 -5.785 7.411 -2.653 328 HG12 VAL 54 2HG1 VAL 54 -5.827 8.850 -3.674 329 HG13 VAL 54 3HG1 VAL 54 -6.676 7.388 -4.174 330 HG21 VAL 54 1HG2 VAL 54 -5.285 5.374 -3.802 331 HG22 VAL 54 2HG2 VAL 54 -4.481 5.389 -5.372 332 HG23 VAL 54 3HG2 VAL 54 -3.527 5.484 -3.892 333 H GLN 55 H GLN 55 -2.661 9.453 -6.233 334 HA GLN 55 HA GLN 55 -1.084 7.834 -7.997 335 HB2 GLN 55 1HB GLN 55 -1.303 10.427 -7.897 336 HB3 GLN 55 2HB GLN 55 -0.066 10.314 -6.652 337 HG2 GLN 55 1HG GLN 55 1.242 10.629 -8.482 338 HG3 GLN 55 2HG GLN 55 1.164 8.868 -8.467 339 HE21 GLN 55 1HE2 GLN 55 -0.189 11.766 -9.921 340 HE22 GLN 55 2HE2 GLN 55 -0.698 11.016 -11.391 341 H LEU 56 H LEU 56 -0.205 6.058 -7.091 342 HA LEU 56 HA LEU 56 1.203 6.331 -4.532 343 HB2 LEU 56 1HB LEU 56 0.926 4.069 -4.196 344 HB3 LEU 56 2HB LEU 56 -0.555 4.508 -5.046 345 HG LEU 56 HG LEU 56 0.761 3.735 -7.162 346 HD11 LEU 56 1HD1 LEU 56 2.635 2.527 -6.918 347 HD12 LEU 56 2HD1 LEU 56 2.071 1.759 -5.435 348 HD13 LEU 56 3HD1 LEU 56 2.771 3.377 -5.379 349 HD21 LEU 56 1HD2 LEU 56 -0.154 1.646 -5.198 350 HD22 LEU 56 2HD2 LEU 56 -0.202 1.575 -6.960 351 HD23 LEU 56 3HD2 LEU 56 -1.261 2.688 -6.092 352 H ASP 57 H ASP 57 3.334 5.532 -4.279 353 HA ASP 57 HA ASP 57 4.832 5.045 -6.754 354 HB2 ASP 57 1HB ASP 57 4.928 7.493 -5.796 355 HB3 ASP 57 2HB ASP 57 6.052 6.780 -4.642 356 H CYS 58 H CYS 58 5.677 3.087 -6.520 357 HA CYS 58 HA CYS 58 6.329 2.058 -3.886 358 HB2 CYS 58 1HB CYS 58 6.758 -0.061 -5.060 359 HB3 CYS 58 2HB CYS 58 5.177 0.594 -5.470 360 HG CYS 58 HG CYS 58 5.559 0.899 -8.021 361 H ARG 59 H ARG 59 8.280 2.161 -3.007 362 HA ARG 59 HA ARG 59 10.613 2.444 -4.782 363 HB2 ARG 59 1HB ARG 59 10.618 4.563 -3.922 364 HB3 ARG 59 2HB ARG 59 9.776 4.085 -2.454 365 HG2 ARG 59 1HG ARG 59 11.826 3.113 -1.575 366 HG3 ARG 59 2HG ARG 59 12.677 3.548 -3.059 367 HD2 ARG 59 1HD ARG 59 12.723 5.776 -2.543 368 HD3 ARG 59 2HD ARG 59 11.249 5.694 -1.580 369 HE ARG 59 HE ARG 59 12.962 4.279 -0.086 370 HH11 ARG 59 1HH1 ARG 59 13.255 7.384 -1.632 371 HH12 ARG 59 2HH1 ARG 59 14.347 8.017 -0.446 372 HH21 ARG 59 1HH2 ARG 59 14.399 5.101 1.483 373 HH22 ARG 59 2HH2 ARG 59 14.998 6.718 1.325 374 H GLU 60 H GLU 60 12.672 1.788 -3.756 375 HA GLU 60 HA GLU 60 12.285 -0.696 -2.309 376 HB2 GLU 60 1HB GLU 60 14.667 0.604 -3.616 377 HB3 GLU 60 2HB GLU 60 14.827 -0.836 -2.621 378 HG2 GLU 60 1HG GLU 60 13.607 -2.150 -4.112 379 HG3 GLU 60 2HG GLU 60 12.922 -0.746 -4.929 380 H CYS 61 H CYS 61 12.549 -0.949 -0.192 381 HA CYS 61 HA CYS 61 14.007 1.136 1.295 382 HB2 CYS 61 1HB CYS 61 12.439 0.544 3.212 383 HB3 CYS 61 2HB CYS 61 11.730 1.433 1.870 384 HG CYS 61 HG CYS 61 9.857 -0.427 2.749 385 HA PRO 62 HA PRO 62 16.564 -2.012 2.973 386 HB2 PRO 62 1HB PRO 62 17.116 -0.977 5.421 387 HB3 PRO 62 2HB PRO 62 17.800 -0.326 3.927 388 HG2 PRO 62 1HG PRO 62 15.468 0.655 5.528 389 HG3 PRO 62 2HG PRO 62 16.774 1.584 4.769 390 HD2 PRO 62 1HD PRO 62 14.318 1.348 3.655 391 HD3 PRO 62 2HD PRO 62 15.797 1.495 2.684 392 H GLU 63 H GLU 63 13.463 -1.518 4.010 393 HA GLU 63 HA GLU 63 13.640 -3.682 6.003 394 HB2 GLU 63 1HB GLU 63 11.666 -1.406 5.789 395 HB3 GLU 63 2HB GLU 63 11.462 -2.774 6.874 396 HG2 GLU 63 1HG GLU 63 14.001 -1.242 7.008 397 HG3 GLU 63 2HG GLU 63 12.543 -0.514 7.678 398 H GLY 64 H GLY 64 12.879 -3.140 2.889 399 HA2 GLY 64 1HA GLY 64 11.944 -5.354 1.956 400 HA3 GLY 64 2HA GLY 64 10.524 -4.906 2.889 401 H HIS 65 H HIS 65 9.028 -3.648 1.959 402 HA HIS 65 HA HIS 65 9.773 -2.153 -0.460 403 HB2 HIS 65 1HB HIS 65 7.458 -4.049 -0.100 404 HB3 HIS 65 2HB HIS 65 7.457 -2.803 -1.344 405 HD1 HIS 65 1HD HIS 65 9.179 -3.076 -3.291 406 HD2 HIS 65 2HD HIS 65 9.047 -6.261 -0.626 407 HE1 HIS 65 1HE HIS 65 10.401 -4.957 -4.430 408 HE2 HIS 65 2HE HIS 65 10.234 -6.899 -2.834 409 H VAL 66 H VAL 66 9.002 -0.127 -0.562 410 HA VAL 66 HA VAL 66 6.992 0.672 1.443 411 HB VAL 66 HB VAL 66 9.292 1.562 1.876 412 HG11 VAL 66 1HG1 VAL 66 10.202 1.914 -0.257 413 HG12 VAL 66 2HG1 VAL 66 8.805 2.849 -0.794 414 HG13 VAL 66 3HG1 VAL 66 9.926 3.534 0.383 415 HG21 VAL 66 1HG2 VAL 66 8.229 3.205 2.925 416 HG22 VAL 66 2HG2 VAL 66 7.998 4.072 1.407 417 HG23 VAL 66 3HG2 VAL 66 6.806 2.883 1.933 418 H VAL 67 H VAL 67 5.424 2.165 0.836 419 HA VAL 67 HA VAL 67 5.357 3.009 -1.968 420 HB VAL 67 HB VAL 67 3.078 1.573 -0.599 421 HG11 VAL 67 1HG1 VAL 67 3.267 3.070 -3.189 422 HG12 VAL 67 2HG1 VAL 67 2.098 1.766 -2.971 423 HG13 VAL 67 3HG1 VAL 67 2.043 3.185 -1.925 424 HG21 VAL 67 1HG2 VAL 67 5.224 0.705 -2.378 425 HG22 VAL 67 2HG2 VAL 67 4.152 -0.244 -1.347 426 HG23 VAL 67 3HG2 VAL 67 3.614 0.265 -2.948 427 H THR 68 H THR 68 4.732 5.059 -2.183 428 HA THR 68 HA THR 68 3.376 6.340 0.100 429 HB THR 68 HB THR 68 5.145 7.717 -1.927 430 HG1 THR 68 1HG THR 68 6.037 6.095 -0.219 431 HG21 THR 68 1HG2 THR 68 4.322 8.707 0.791 432 HG22 THR 68 2HG2 THR 68 3.348 9.013 -0.647 433 HG23 THR 68 3HG2 THR 68 5.000 9.623 -0.555 434 H TYR 69 H TYR 69 1.453 7.255 -0.248 435 HA TYR 69 HA TYR 69 0.681 7.964 -2.988 436 HB2 TYR 69 1HB TYR 69 -1.375 6.814 -2.891 437 HB3 TYR 69 2HB TYR 69 -0.192 5.664 -2.276 438 HD1 TYR 69 1HD TYR 69 -2.830 8.058 -1.252 439 HD2 TYR 69 2HD TYR 69 -0.386 4.772 -0.098 440 HE1 TYR 69 1HE TYR 69 -4.165 7.792 0.796 441 HE2 TYR 69 2HE TYR 69 -1.715 4.496 1.953 442 HH TYR 69 HH TYR 69 -3.401 5.260 3.171 443 H THR 70 H THR 70 -1.257 9.361 -3.056 444 HA THR 70 HA THR 70 -1.567 10.954 -0.597 445 HB THR 70 HB THR 70 -1.262 11.992 -3.418 446 HG1 THR 70 1HG THR 70 0.223 12.767 -1.137 447 HG21 THR 70 1HG2 THR 70 -1.334 14.190 -1.795 448 HG22 THR 70 2HG2 THR 70 -2.562 13.158 -1.062 449 HG23 THR 70 3HG2 THR 70 -2.686 13.605 -2.763 450 HA PRO 71 HA PRO 71 -5.847 9.982 -1.374 451 HB2 PRO 71 1HB PRO 71 -6.830 11.340 0.761 452 HB3 PRO 71 2HB PRO 71 -6.049 9.761 0.904 453 HG2 PRO 71 1HG PRO 71 -4.915 12.486 1.402 454 HG3 PRO 71 2HG PRO 71 -4.720 11.002 2.353 455 HD2 PRO 71 1HD PRO 71 -2.826 11.891 0.634 456 HD3 PRO 71 2HD PRO 71 -3.098 10.164 0.946 457 H MET 72 H MET 72 -7.395 10.983 -2.533 458 HA MET 72 HA MET 72 -7.192 13.905 -2.838 459 HB2 MET 72 1HB MET 72 -8.307 11.892 -4.799 460 HB3 MET 72 2HB MET 72 -8.154 13.624 -5.066 461 HG2 MET 72 1HG MET 72 -5.636 13.217 -4.618 462 HG3 MET 72 2HG MET 72 -6.027 11.533 -4.960 463 HE1 MET 72 1HE MET 72 -7.076 11.142 -8.266 464 HE2 MET 72 2HE MET 72 -7.904 11.223 -6.711 465 HE3 MET 72 3HE MET 72 -8.286 12.392 -7.975 466 H ALA 73 H ALA 73 -9.008 11.566 -1.404 467 HA ALA 73 HA ALA 73 -11.183 13.351 -0.897 468 HB1 ALA 73 1HB ALA 73 -11.459 11.355 -3.008 469 HB2 ALA 73 2HB ALA 73 -12.720 11.261 -1.778 470 HB3 ALA 73 3HB ALA 73 -12.447 12.771 -2.647 471 HA PRO 74 HA PRO 74 -11.210 10.940 2.787 472 HB2 PRO 74 1HB PRO 74 -13.641 11.659 3.757 473 HB3 PRO 74 2HB PRO 74 -12.241 12.738 3.777 474 HG2 PRO 74 1HG PRO 74 -14.535 12.647 1.856 475 HG3 PRO 74 2HG PRO 74 -13.751 14.055 2.596 476 HD2 PRO 74 1HD PRO 74 -13.219 13.254 0.065 477 HD3 PRO 74 2HD PRO 74 -11.998 14.023 1.100 478 H GLY 75 H GLY 75 -11.403 8.786 2.662 479 HA2 GLY 75 1HA GLY 75 -13.922 7.511 2.772 480 HA3 GLY 75 2HA GLY 75 -13.272 7.373 1.145 481 H ASN 76 H ASN 76 -13.352 5.050 1.638 482 HA ASN 76 HA ASN 76 -11.059 4.184 3.271 483 HB2 ASN 76 1HB ASN 76 -12.234 1.958 3.330 484 HB3 ASN 76 2HB ASN 76 -13.085 3.259 4.158 485 HD21 ASN 76 1HD2 ASN 76 -14.863 4.267 3.052 486 HD22 ASN 76 2HD2 ASN 76 -15.786 3.359 1.908 487 H TYR 77 H TYR 77 -9.346 3.812 2.027 488 HA TYR 77 HA TYR 77 -9.708 2.820 -0.695 489 HB2 TYR 77 1HB TYR 77 -7.250 3.819 0.757 490 HB3 TYR 77 2HB TYR 77 -7.269 3.276 -0.917 491 HD1 TYR 77 1HD TYR 77 -8.392 5.904 1.402 492 HD2 TYR 77 2HD TYR 77 -8.156 4.666 -2.662 493 HE1 TYR 77 1HE TYR 77 -9.002 8.175 0.681 494 HE2 TYR 77 2HE TYR 77 -8.765 6.934 -3.394 495 HH TYR 77 HH TYR 77 -9.948 9.307 -1.231 496 H LEU 78 H LEU 78 -9.442 0.757 -1.221 497 HA LEU 78 HA LEU 78 -8.604 -1.144 0.783 498 HB2 LEU 78 1HB LEU 78 -10.470 -1.338 -1.049 499 HB3 LEU 78 2HB LEU 78 -9.133 -1.888 -2.056 500 HG LEU 78 HG LEU 78 -10.286 -3.799 -1.180 501 HD11 LEU 78 1HD1 LEU 78 -7.749 -3.465 0.405 502 HD12 LEU 78 2HD1 LEU 78 -7.794 -3.835 -1.318 503 HD13 LEU 78 3HD1 LEU 78 -8.479 -4.969 -0.155 504 HD21 LEU 78 1HD2 LEU 78 -9.681 -3.492 1.627 505 HD22 LEU 78 2HD2 LEU 78 -11.211 -3.882 0.841 506 HD23 LEU 78 3HD2 LEU 78 -10.732 -2.197 1.051 507 H ILE 79 H ILE 79 -6.486 -1.337 1.146 508 HA ILE 79 HA ILE 79 -4.617 -1.185 -1.102 509 HB ILE 79 HB ILE 79 -4.071 -1.236 1.868 510 HG12 ILE 79 1HG1 ILE 79 -3.810 1.051 -0.093 511 HG13 ILE 79 2HG1 ILE 79 -5.192 0.825 0.975 512 HG21 ILE 79 1HG2 ILE 79 -2.298 -2.207 0.344 513 HG22 ILE 79 2HG2 ILE 79 -2.124 -0.586 -0.327 514 HG23 ILE 79 3HG2 ILE 79 -1.790 -0.873 1.380 515 HD11 ILE 79 1HD1 ILE 79 -2.531 0.853 2.248 516 HD12 ILE 79 2HD1 ILE 79 -3.117 2.378 1.582 517 HD13 ILE 79 3HD1 ILE 79 -4.066 1.524 2.799 518 H ALA 80 H ALA 80 -4.560 -3.125 -2.103 519 HA ALA 80 HA ALA 80 -4.538 -5.591 -0.581 520 HB1 ALA 80 1HB ALA 80 -4.643 -6.713 -2.693 521 HB2 ALA 80 2HB ALA 80 -5.771 -5.358 -2.734 522 HB3 ALA 80 3HB ALA 80 -4.216 -5.236 -3.556 523 H ILE 81 H ILE 81 -2.816 -6.898 -0.224 524 HA ILE 81 HA ILE 81 -0.248 -6.215 -1.462 525 HB ILE 81 HB ILE 81 -0.542 -6.716 1.500 526 HG12 ILE 81 1HG1 ILE 81 0.069 -4.110 0.089 527 HG13 ILE 81 2HG1 ILE 81 -1.501 -4.527 0.768 528 HG21 ILE 81 1HG2 ILE 81 1.709 -6.675 1.659 529 HG22 ILE 81 2HG2 ILE 81 1.621 -7.186 -0.026 530 HG23 ILE 81 3HG2 ILE 81 1.886 -5.488 0.368 531 HD11 ILE 81 1HD1 ILE 81 0.794 -3.407 2.053 532 HD12 ILE 81 2HD1 ILE 81 -0.837 -3.646 2.681 533 HD13 ILE 81 3HD1 ILE 81 0.359 -4.935 2.819 534 H LYS 82 H LYS 82 0.548 -7.976 -2.378 535 HA LYS 82 HA LYS 82 0.101 -10.577 -1.069 536 HB2 LYS 82 1HB LYS 82 0.199 -10.104 -4.052 537 HB3 LYS 82 2HB LYS 82 -0.116 -11.631 -3.240 538 HG2 LYS 82 1HG LYS 82 -2.116 -10.322 -2.186 539 HG3 LYS 82 2HG LYS 82 -1.889 -9.262 -3.579 540 HD2 LYS 82 1HD LYS 82 -1.929 -11.426 -4.969 541 HD3 LYS 82 2HD LYS 82 -2.616 -12.174 -3.525 542 HE2 LYS 82 1HE LYS 82 -4.481 -11.536 -4.779 543 HE3 LYS 82 2HE LYS 82 -4.317 -10.259 -3.575 544 HZ1 LYS 82 1HZ LYS 82 -2.797 -9.558 -5.819 545 HZ2 LYS 82 2HZ LYS 82 -4.173 -8.791 -5.205 546 HZ3 LYS 82 3HZ LYS 82 -4.333 -10.016 -6.360 547 H TYR 83 H TYR 83 1.740 -12.187 -1.473 548 HA TYR 83 HA TYR 83 4.233 -11.354 -2.675 549 HB2 TYR 83 1HB TYR 83 4.192 -10.464 -0.271 550 HB3 TYR 83 2HB TYR 83 4.303 -12.148 0.232 551 HD1 TYR 83 2HD TYR 83 6.050 -9.454 -1.602 552 HD2 TYR 83 1HD TYR 83 6.366 -13.319 0.149 553 HE1 TYR 83 2HE TYR 83 8.495 -9.361 -1.852 554 HE2 TYR 83 1HE TYR 83 8.812 -13.236 -0.095 555 HH TYR 83 HH TYR 83 10.579 -11.247 -0.258 556 H GLY 84 H GLY 84 5.261 -13.054 -3.539 557 HA2 GLY 84 1HA GLY 84 5.420 -15.236 -4.309 558 HA3 GLY 84 2HA GLY 84 5.767 -15.528 -2.611 559 H GLY 85 H GLY 85 2.814 -14.779 -4.475 560 HA2 GLY 85 1HA GLY 85 1.577 -17.211 -4.441 561 HA3 GLY 85 2HA GLY 85 1.252 -16.557 -2.842 562 HA PRO 86 HA PRO 86 -1.520 -14.746 -6.350 563 HB2 PRO 86 1HB PRO 86 -3.523 -16.574 -6.462 564 HB3 PRO 86 2HB PRO 86 -2.103 -16.640 -7.511 565 HG2 PRO 86 1HG PRO 86 -2.674 -18.164 -4.999 566 HG3 PRO 86 2HG PRO 86 -1.974 -18.741 -6.522 567 HD2 PRO 86 1HD PRO 86 -0.462 -18.164 -4.351 568 HD3 PRO 86 2HD PRO 86 0.123 -17.933 -6.012 569 H GLN 87 H GLN 87 -1.827 -16.038 -3.199 570 HA GLN 87 HA GLN 87 -4.381 -14.705 -2.712 571 HB2 GLN 87 1HB GLN 87 -2.721 -16.672 -1.169 572 HB3 GLN 87 2HB GLN 87 -3.967 -15.732 -0.358 573 HG2 GLN 87 1HG GLN 87 -5.673 -16.666 -1.730 574 HG3 GLN 87 2HG GLN 87 -4.484 -17.440 -2.776 575 HE21 GLN 87 1HE2 GLN 87 -2.952 -18.933 -1.543 576 HE22 GLN 87 2HE2 GLN 87 -3.693 -19.993 -0.397 577 H HIS 88 H HIS 88 -4.470 -13.608 -0.446 578 HA HIS 88 HA HIS 88 -2.554 -11.450 -0.527 579 HB2 HIS 88 1HB HIS 88 -4.991 -11.979 1.173 580 HB3 HIS 88 2HB HIS 88 -3.958 -10.572 1.400 581 HD1 HIS 88 1HD HIS 88 -5.160 -8.632 0.459 582 HD2 HIS 88 2HD HIS 88 -5.534 -11.995 -1.952 583 HE1 HIS 88 1HE HIS 88 -6.451 -7.871 -1.560 584 HE2 HIS 88 2HE HIS 88 -6.739 -9.942 -2.964 585 H ILE 89 H ILE 89 -1.667 -10.630 1.617 586 HA ILE 89 HA ILE 89 -0.281 -12.849 2.901 587 HB ILE 89 HB ILE 89 1.214 -11.189 3.832 588 HG12 ILE 89 1HG1 ILE 89 -0.212 -8.981 2.398 589 HG13 ILE 89 2HG1 ILE 89 -0.786 -9.484 3.984 590 HG21 ILE 89 1HG2 ILE 89 0.802 -10.319 0.998 591 HG22 ILE 89 2HG2 ILE 89 2.308 -10.590 1.873 592 HG23 ILE 89 3HG2 ILE 89 1.320 -11.962 1.374 593 HD11 ILE 89 1HD1 ILE 89 0.733 -8.172 4.900 594 HD12 ILE 89 2HD1 ILE 89 1.999 -9.178 4.195 595 HD13 ILE 89 3HD1 ILE 89 1.392 -7.776 3.313 596 H VAL 90 H VAL 90 0.109 -12.698 5.283 597 HA VAL 90 HA VAL 90 -2.277 -12.833 6.708 598 HB VAL 90 HB VAL 90 -0.289 -13.937 7.524 599 HG11 VAL 90 1HG1 VAL 90 1.048 -11.663 6.845 600 HG12 VAL 90 2HG1 VAL 90 1.014 -11.546 8.606 601 HG13 VAL 90 3HG1 VAL 90 1.711 -12.968 7.828 602 HG21 VAL 90 1HG2 VAL 90 -0.265 -12.764 9.910 603 HG22 VAL 90 2HG2 VAL 90 -1.680 -11.955 9.237 604 HG23 VAL 90 3HG2 VAL 90 -1.638 -13.715 9.344 605 H GLY 91 H GLY 91 -3.651 -11.208 7.044 606 HA2 GLY 91 1HA GLY 91 -4.080 -9.284 8.493 607 HA3 GLY 91 2HA GLY 91 -2.533 -8.635 7.969 608 H SER 92 H SER 92 -3.029 -9.435 5.166 609 HA SER 92 HA SER 92 -4.503 -7.068 4.403 610 HB2 SER 92 1HB SER 92 -2.722 -9.018 3.027 611 HB3 SER 92 2HB SER 92 -3.892 -8.148 2.035 612 HG SER 92 HG SER 92 -2.894 -6.292 2.447 613 HA PRO 93 HA PRO 93 -5.172 -6.627 2.054 614 HB2 PRO 93 1HB PRO 93 -7.499 -5.299 1.617 615 HB3 PRO 93 2HB PRO 93 -6.906 -6.575 0.548 616 HG2 PRO 93 1HG PRO 93 -8.966 -6.724 2.714 617 HG3 PRO 93 2HG PRO 93 -8.994 -7.441 1.092 618 HD2 PRO 93 1HD PRO 93 -8.366 -8.869 3.305 619 HD3 PRO 93 2HD PRO 93 -7.657 -9.212 1.714 620 H PHE 94 H PHE 94 -5.523 -4.210 2.490 621 HA PHE 94 HA PHE 94 -6.146 -3.794 5.339 622 HB2 PHE 94 1HB PHE 94 -3.837 -2.749 3.709 623 HB3 PHE 94 2HB PHE 94 -4.340 -1.977 5.209 624 HD1 PHE 94 2HD PHE 94 -4.229 -3.256 7.341 625 HD2 PHE 94 1HD PHE 94 -2.566 -4.734 3.713 626 HE1 PHE 94 2HE PHE 94 -2.869 -4.858 8.621 627 HE2 PHE 94 1HE PHE 94 -1.204 -6.339 4.986 628 HZ PHE 94 HZ PHE 94 -1.354 -6.402 7.444 629 H LYS 95 H LYS 95 -7.767 -2.431 5.633 630 HA LYS 95 HA LYS 95 -8.586 -0.663 3.470 631 HB2 LYS 95 1HB LYS 95 -10.096 -2.179 5.020 632 HB3 LYS 95 2HB LYS 95 -10.013 -0.787 6.092 633 HG2 LYS 95 1HG LYS 95 -11.248 0.535 4.704 634 HG3 LYS 95 2HG LYS 95 -10.737 -0.324 3.249 635 HD2 LYS 95 1HD LYS 95 -12.083 -2.302 4.366 636 HD3 LYS 95 2HD LYS 95 -12.908 -0.973 5.182 637 HE2 LYS 95 1HE LYS 95 -13.079 0.015 2.770 638 HE3 LYS 95 2HE LYS 95 -12.816 -1.657 2.275 639 HZ1 LYS 95 1HZ LYS 95 -14.885 -1.027 4.271 640 HZ2 LYS 95 2HZ LYS 95 -14.795 -2.334 3.202 641 HZ3 LYS 95 3HZ LYS 95 -15.209 -0.799 2.626 642 H ALA 96 H ALA 96 -7.733 1.301 3.363 643 HA ALA 96 HA ALA 96 -6.821 2.615 5.817 644 HB1 ALA 96 1HB ALA 96 -6.261 3.161 2.910 645 HB2 ALA 96 2HB ALA 96 -5.724 4.213 4.220 646 HB3 ALA 96 3HB ALA 96 -5.146 2.549 4.132 647 H LYS 97 H LYS 97 -8.238 3.903 6.785 648 HA LYS 97 HA LYS 97 -10.303 5.239 5.200 649 HB2 LYS 97 1HB LYS 97 -11.162 4.056 7.095 650 HB3 LYS 97 2HB LYS 97 -9.977 4.790 8.167 651 HG2 LYS 97 1HG LYS 97 -11.152 7.014 7.346 652 HG3 LYS 97 2HG LYS 97 -12.496 5.904 7.069 653 HD2 LYS 97 1HD LYS 97 -11.027 5.858 9.674 654 HD3 LYS 97 2HD LYS 97 -12.252 7.092 9.374 655 HE2 LYS 97 1HE LYS 97 -12.847 4.197 8.889 656 HE3 LYS 97 2HE LYS 97 -12.942 4.871 10.515 657 HZ1 LYS 97 1HZ LYS 97 -15.079 4.891 9.317 658 HZ2 LYS 97 2HZ LYS 97 -14.415 5.943 8.172 659 HZ3 LYS 97 3HZ LYS 97 -14.577 6.438 9.781 660 H VAL 98 H VAL 98 -9.653 7.131 4.386 661 HA VAL 98 HA VAL 98 -7.941 8.878 6.001 662 HB VAL 98 HB VAL 98 -8.687 9.042 3.078 663 HG11 VAL 98 1HG1 VAL 98 -8.322 11.255 4.099 664 HG12 VAL 98 2HG1 VAL 98 -6.728 10.724 4.639 665 HG13 VAL 98 3HG1 VAL 98 -7.081 10.847 2.915 666 HG21 VAL 98 1HG2 VAL 98 -6.606 8.162 2.567 667 HG22 VAL 98 2HG2 VAL 98 -5.937 8.552 4.151 668 HG23 VAL 98 3HG2 VAL 98 -7.076 7.217 3.980 669 H THR 99 H THR 99 -8.651 10.736 6.856 670 HA THR 99 HA THR 99 -11.417 11.545 6.250 671 HB THR 99 HB THR 99 -11.169 10.911 8.569 672 HG1 THR 99 1HG THR 99 -12.430 12.821 8.041 673 HG21 THR 99 1HG2 THR 99 -8.602 12.077 8.303 674 HG22 THR 99 2HG2 THR 99 -9.274 11.228 9.696 675 HG23 THR 99 3HG2 THR 99 -9.460 12.976 9.555 676 H GLY 100 H GLY 100 -11.831 13.935 6.609 677 HA2 GLY 100 1HA GLY 100 -10.852 16.170 6.635 678 HA3 GLY 100 2HA GLY 100 -9.526 15.528 5.677 679 HA PRO 101 HA PRO 101 -12.980 17.424 3.018 680 HB2 PRO 101 1HB PRO 101 -11.686 19.693 2.278 681 HB3 PRO 101 2HB PRO 101 -12.723 19.601 3.707 682 HG2 PRO 101 1HG PRO 101 -9.739 19.446 3.519 683 HG3 PRO 101 2HG PRO 101 -10.743 20.322 4.689 684 HD2 PRO 101 1HD PRO 101 -9.586 17.941 5.257 685 HD3 PRO 101 2HD PRO 101 -11.145 18.434 5.948 686 H ARG 102 H ARG 102 -12.982 17.288 0.790 687 HA ARG 102 HA ARG 102 -11.075 15.709 -0.466 688 HB2 ARG 102 1HB ARG 102 -13.214 17.542 -1.506 689 HB3 ARG 102 2HB ARG 102 -12.130 16.713 -2.615 690 HG2 ARG 102 1HG ARG 102 -12.944 14.613 -2.038 691 HG3 ARG 102 2HG ARG 102 -13.649 15.197 -0.530 692 HD2 ARG 102 1HD ARG 102 -15.433 14.810 -2.067 693 HD3 ARG 102 2HD ARG 102 -15.243 16.553 -1.890 694 HE ARG 102 HE ARG 102 -13.749 15.560 -4.097 695 HH11 ARG 102 1HH1 ARG 102 -16.965 16.409 -3.071 696 HH12 ARG 102 2HH1 ARG 102 -17.520 16.774 -4.671 697 HH21 ARG 102 1HH2 ARG 102 -14.468 16.038 -6.209 698 HH22 ARG 102 2HH2 ARG 102 -16.099 16.562 -6.455 699 H LEU 103 H LEU 103 -9.079 16.110 -1.134 700 HA LEU 103 HA LEU 103 -8.376 18.851 -1.939 701 HB2 LEU 103 1HB LEU 103 -6.938 17.001 -0.077 702 HB3 LEU 103 2HB LEU 103 -6.050 18.217 -0.992 703 HG LEU 103 HG LEU 103 -8.365 18.972 0.763 704 HD11 LEU 103 1HD1 LEU 103 -7.182 18.832 2.658 705 HD12 LEU 103 2HD1 LEU 103 -5.684 19.340 1.879 706 HD13 LEU 103 3HD1 LEU 103 -6.205 17.659 1.775 707 HD21 LEU 103 1HD2 LEU 103 -5.940 20.439 -0.268 708 HD22 LEU 103 2HD2 LEU 103 -7.140 21.114 0.835 709 HD23 LEU 103 3HD2 LEU 103 -7.608 20.650 -0.801 710 H SER 104 H SER 104 -7.979 18.774 -4.048 711 HA SER 104 HA SER 104 -6.323 16.564 -5.074 712 HB2 SER 104 1HB SER 104 -7.583 16.580 -7.147 713 HB3 SER 104 2HB SER 104 -8.701 16.363 -5.800 714 HG SER 104 HG SER 104 -8.969 18.106 -7.634 715 H GLY 105 H GLY 105 -4.422 17.289 -5.745 716 HA2 GLY 105 1HA GLY 105 -4.230 20.079 -6.676 717 HA3 GLY 105 2HA GLY 105 -2.902 19.145 -6.004 718 H SER 106 H SER 106 -4.062 20.408 -8.782 719 HA SER 106 HA SER 106 -3.215 18.216 -10.515 720 HB2 SER 106 1HB SER 106 -5.307 19.566 -10.976 721 HB3 SER 106 2HB SER 106 -4.253 20.929 -11.354 722 HG SER 106 HG SER 106 -4.745 18.606 -12.787 723 H GLY 107 H GLY 107 -2.535 21.711 -10.217 724 HA2 GLY 107 1HA GLY 107 0.238 21.503 -10.166 725 HA3 GLY 107 2HA GLY 107 -0.224 21.625 -11.857 726 HA PRO 108 HA PRO 108 0.159 25.874 -9.844 727 HB2 PRO 108 1HB PRO 108 2.249 26.750 -11.339 728 HB3 PRO 108 2HB PRO 108 2.456 25.895 -9.806 729 HG2 PRO 108 1HG PRO 108 2.642 24.842 -12.602 730 HG3 PRO 108 2HG PRO 108 3.692 24.514 -11.211 731 HD2 PRO 108 1HD PRO 108 1.763 22.794 -12.019 732 HD3 PRO 108 2HD PRO 108 2.234 22.969 -10.316 733 H SER 109 H SER 109 -0.702 27.712 -10.740 734 HA SER 109 HA SER 109 -1.558 27.491 -13.545 735 HB2 SER 109 1HB SER 109 -3.326 27.647 -11.749 736 HB3 SER 109 2HB SER 109 -2.744 29.277 -11.412 737 HG SER 109 HG SER 109 -4.319 28.372 -13.450 738 H SER 110 H SER 110 -0.615 29.974 -11.164 739 HA SER 110 HA SER 110 0.198 31.741 -13.337 740 HB2 SER 110 1HB SER 110 -1.146 32.480 -11.263 741 HB3 SER 110 2HB SER 110 0.389 32.381 -10.399 742 HG SER 110 HG SER 110 0.563 34.365 -11.117 743 H GLY 111 H GLY 111 2.293 32.832 -13.251 744 HA2 GLY 111 1HA GLY 111 4.390 31.583 -11.684 745 HA3 GLY 111 2HA GLY 111 4.472 31.271 -13.411 Start of MODEL 2 1 H1 GLY 1 H GLY 1 4.475 -30.818 -14.019 2 HA2 GLY 1 1HA GLY 1 7.230 -31.624 -13.310 3 HA3 GLY 1 2HA GLY 1 6.863 -30.539 -14.642 4 H SER 2 H SER 2 5.980 -28.435 -14.139 5 HA SER 2 HA SER 2 6.288 -27.551 -11.372 6 HB2 SER 2 1HB SER 2 7.795 -25.766 -11.905 7 HB3 SER 2 2HB SER 2 8.489 -27.242 -12.575 8 HG SER 2 HG SER 2 7.661 -24.985 -13.845 9 H SER 3 H SER 3 4.518 -26.467 -10.861 10 HA SER 3 HA SER 3 3.182 -24.878 -12.955 11 HB2 SER 3 1HB SER 3 1.925 -26.925 -12.172 12 HB3 SER 3 2HB SER 3 1.819 -26.167 -10.583 13 HG SER 3 HG SER 3 1.046 -24.461 -12.535 14 H GLY 4 H GLY 4 3.802 -22.833 -12.564 15 HA2 GLY 4 1HA GLY 4 2.848 -21.020 -11.001 16 HA3 GLY 4 2HA GLY 4 3.781 -21.873 -9.781 17 H SER 5 H SER 5 5.872 -21.362 -9.510 18 HA SER 5 HA SER 5 7.432 -20.172 -11.619 19 HB2 SER 5 1HB SER 5 5.995 -18.317 -10.459 20 HB3 SER 5 2HB SER 5 7.169 -18.480 -9.153 21 HG SER 5 HG SER 5 8.804 -17.965 -10.620 22 H SER 6 H SER 6 9.675 -19.900 -11.033 23 HA SER 6 HA SER 6 10.654 -22.007 -9.443 24 HB2 SER 6 1HB SER 6 12.856 -21.137 -9.922 25 HB3 SER 6 2HB SER 6 11.866 -20.964 -11.371 26 HG SER 6 HG SER 6 13.116 -19.063 -9.937 27 H GLY 7 H GLY 7 11.739 -22.006 -7.457 28 HA2 GLY 7 1HA GLY 7 12.157 -21.369 -5.291 29 HA3 GLY 7 2HA GLY 7 12.181 -19.712 -5.875 30 H ALA 8 H ALA 8 10.502 -22.006 -4.044 31 HA ALA 8 HA ALA 8 7.876 -20.937 -4.220 32 HB1 ALA 8 1HB ALA 8 7.420 -22.261 -2.211 33 HB2 ALA 8 2HB ALA 8 8.280 -23.203 -3.430 34 HB3 ALA 8 3HB ALA 8 9.146 -22.574 -2.028 35 H GLY 9 H GLY 9 6.953 -19.253 -3.213 36 HA2 GLY 9 1HA GLY 9 8.652 -17.590 -1.519 37 HA3 GLY 9 2HA GLY 9 7.122 -17.116 -2.242 38 H ASP 10 H ASP 10 7.603 -16.469 0.351 39 HA ASP 10 HA ASP 10 5.720 -18.227 1.769 40 HB2 ASP 10 1HB ASP 10 7.936 -16.868 3.264 41 HB3 ASP 10 2HB ASP 10 6.997 -18.288 3.715 42 HA PRO 11 HA PRO 11 3.969 -14.027 1.873 43 HB2 PRO 11 1HB PRO 11 1.407 -14.883 2.143 44 HB3 PRO 11 2HB PRO 11 2.228 -14.788 0.581 45 HG2 PRO 11 1HG PRO 11 1.785 -17.165 2.346 46 HG3 PRO 11 2HG PRO 11 1.623 -17.033 0.585 47 HD2 PRO 11 1HD PRO 11 3.801 -18.121 1.771 48 HD3 PRO 11 2HD PRO 11 3.893 -17.234 0.236 49 H GLY 12 H GLY 12 3.200 -16.775 3.986 50 HA2 GLY 12 1HA GLY 12 1.970 -15.455 6.081 51 HA3 GLY 12 2HA GLY 12 2.959 -16.896 6.267 52 H LEU 13 H LEU 13 5.349 -15.487 5.215 53 HA LEU 13 HA LEU 13 6.093 -14.196 7.726 54 HB2 LEU 13 1HB LEU 13 7.875 -14.905 5.407 55 HB3 LEU 13 2HB LEU 13 8.364 -14.505 7.052 56 HG LEU 13 HG LEU 13 6.943 -17.010 6.152 57 HD11 LEU 13 1HD1 LEU 13 9.736 -16.482 7.150 58 HD12 LEU 13 2HD1 LEU 13 9.261 -17.057 5.553 59 HD13 LEU 13 3HD1 LEU 13 9.031 -18.088 6.965 60 HD21 LEU 13 1HD2 LEU 13 7.966 -16.452 8.918 61 HD22 LEU 13 2HD2 LEU 13 6.869 -17.724 8.378 62 HD23 LEU 13 3HD2 LEU 13 6.316 -16.050 8.442 63 H VAL 14 H VAL 14 4.423 -12.895 5.636 64 HA VAL 14 HA VAL 14 6.145 -10.548 5.173 65 HB VAL 14 HB VAL 14 3.989 -11.632 3.357 66 HG11 VAL 14 1HG1 VAL 14 3.721 -9.606 2.490 67 HG12 VAL 14 2HG1 VAL 14 4.755 -8.950 3.761 68 HG13 VAL 14 3HG1 VAL 14 5.458 -9.456 2.225 69 HG21 VAL 14 1HG2 VAL 14 6.977 -11.458 3.189 70 HG22 VAL 14 2HG2 VAL 14 5.927 -12.848 2.914 71 HG23 VAL 14 3HG2 VAL 14 5.987 -11.541 1.732 72 H SER 15 H SER 15 5.397 -8.652 5.904 73 HA SER 15 HA SER 15 2.547 -8.323 6.450 74 HB2 SER 15 1HB SER 15 3.965 -9.164 8.515 75 HB3 SER 15 2HB SER 15 4.445 -7.469 8.600 76 HG SER 15 HG SER 15 2.425 -8.286 9.751 77 H ALA 16 H ALA 16 2.064 -6.024 7.119 78 HA ALA 16 HA ALA 16 4.011 -4.097 6.082 79 HB1 ALA 16 1HB ALA 16 2.804 -4.257 4.139 80 HB2 ALA 16 2HB ALA 16 1.296 -4.627 4.976 81 HB3 ALA 16 3HB ALA 16 1.918 -2.977 4.968 82 H TYR 17 H TYR 17 4.057 -2.209 7.176 83 HA TYR 17 HA TYR 17 1.833 -1.564 8.975 84 HB2 TYR 17 1HB TYR 17 3.429 -1.024 10.786 85 HB3 TYR 17 2HB TYR 17 3.461 -2.731 10.357 86 HD1 TYR 17 1HD TYR 17 5.304 0.446 10.191 87 HD2 TYR 17 2HD TYR 17 5.419 -3.728 9.375 88 HE1 TYR 17 1HE TYR 17 7.736 0.585 9.853 89 HE2 TYR 17 2HE TYR 17 7.852 -3.601 9.035 90 HH TYR 17 HH TYR 17 9.591 -2.168 8.698 91 H GLY 18 H GLY 18 1.626 0.642 9.496 92 HA2 GLY 18 1HA GLY 18 3.186 2.777 9.163 93 HA3 GLY 18 2HA GLY 18 2.792 2.403 7.492 94 HA PRO 19 HA PRO 19 -0.549 5.001 9.693 95 HB2 PRO 19 1HB PRO 19 0.064 7.431 8.650 96 HB3 PRO 19 2HB PRO 19 0.728 6.847 10.180 97 HG2 PRO 19 1HG PRO 19 1.974 6.866 7.459 98 HG3 PRO 19 2HG PRO 19 2.698 7.282 9.023 99 HD2 PRO 19 1HD PRO 19 3.097 4.887 7.825 100 HD3 PRO 19 2HD PRO 19 3.050 5.076 9.590 101 H GLY 20 H GLY 20 0.678 4.433 6.546 102 HA2 GLY 20 1HA GLY 20 -1.495 5.700 5.128 103 HA3 GLY 20 2HA GLY 20 -0.241 4.687 4.430 104 H LEU 21 H LEU 21 -0.679 2.438 6.174 105 HA LEU 21 HA LEU 21 -2.745 1.146 4.705 106 HB2 LEU 21 1HB LEU 21 -1.409 0.169 7.220 107 HB3 LEU 21 2HB LEU 21 -2.224 -0.802 5.995 108 HG LEU 21 HG LEU 21 0.171 0.800 5.219 109 HD11 LEU 21 1HD1 LEU 21 0.252 -1.844 6.664 110 HD12 LEU 21 2HD1 LEU 21 0.899 -0.308 7.241 111 HD13 LEU 21 3HD1 LEU 21 1.615 -1.093 5.834 112 HD21 LEU 21 1HD2 LEU 21 0.470 -1.031 3.650 113 HD22 LEU 21 2HD2 LEU 21 -1.160 -0.368 3.522 114 HD23 LEU 21 3HD2 LEU 21 -0.891 -1.892 4.369 115 H GLU 22 H GLU 22 -2.474 2.350 8.021 116 HA GLU 22 HA GLU 22 -5.107 1.451 8.747 117 HB2 GLU 22 1HB GLU 22 -2.913 2.959 10.076 118 HB3 GLU 22 2HB GLU 22 -4.540 3.170 10.708 119 HG2 GLU 22 1HG GLU 22 -3.209 0.499 10.340 120 HG3 GLU 22 2HG GLU 22 -3.208 1.411 11.848 121 H GLY 23 H GLY 23 -3.742 4.261 7.289 122 HA2 GLY 23 1HA GLY 23 -5.319 5.673 6.052 123 HA3 GLY 23 2HA GLY 23 -6.382 5.577 7.448 124 H GLY 24 H GLY 24 -5.856 8.029 6.496 125 HA2 GLY 24 1HA GLY 24 -4.540 9.268 8.735 126 HA3 GLY 24 2HA GLY 24 -3.651 9.450 7.231 127 H THR 25 H THR 25 -3.988 11.355 6.326 128 HA THR 25 HA THR 25 -6.693 12.520 6.478 129 HB THR 25 HB THR 25 -4.030 13.944 6.574 130 HG1 THR 25 1HG THR 25 -5.171 14.770 8.552 131 HG21 THR 25 1HG2 THR 25 -5.363 16.026 6.689 132 HG22 THR 25 2HG2 THR 25 -6.813 15.090 6.327 133 HG23 THR 25 3HG2 THR 25 -5.517 15.206 5.137 134 H THR 26 H THR 26 -7.269 13.948 4.695 135 HA THR 26 HA THR 26 -6.632 12.786 2.175 136 HB THR 26 HB THR 26 -8.015 14.681 1.243 137 HG1 THR 26 1HG THR 26 -9.249 15.691 3.149 138 HG21 THR 26 1HG2 THR 26 -10.138 13.887 2.314 139 HG22 THR 26 2HG2 THR 26 -9.152 12.960 3.446 140 HG23 THR 26 3HG2 THR 26 -9.093 12.596 1.721 141 H GLY 27 H GLY 27 -5.585 13.724 0.389 142 HA2 GLY 27 1HA GLY 27 -3.858 14.842 -0.631 143 HA3 GLY 27 2HA GLY 27 -4.432 16.247 0.255 144 H VAL 28 H VAL 28 -3.331 13.421 1.952 145 HA VAL 28 HA VAL 28 -0.887 14.885 2.716 146 HB VAL 28 HB VAL 28 -2.641 13.094 4.395 147 HG11 VAL 28 1HG1 VAL 28 -0.783 13.958 6.132 148 HG12 VAL 28 2HG1 VAL 28 -0.674 12.415 5.282 149 HG13 VAL 28 3HG1 VAL 28 0.207 13.820 4.679 150 HG21 VAL 28 1HG2 VAL 28 -3.522 15.264 4.416 151 HG22 VAL 28 2HG2 VAL 28 -2.544 15.176 5.881 152 HG23 VAL 28 3HG2 VAL 28 -1.924 16.009 4.456 153 H SER 29 H SER 29 0.841 13.957 1.847 154 HA SER 29 HA SER 29 1.075 11.565 0.584 155 HB2 SER 29 1HB SER 29 3.254 12.796 2.287 156 HB3 SER 29 2HB SER 29 3.480 11.700 0.923 157 HG SER 29 HG SER 29 3.684 14.087 0.571 158 H SER 30 H SER 30 0.262 9.713 1.374 159 HA SER 30 HA SER 30 1.101 8.870 4.068 160 HB2 SER 30 1HB SER 30 -1.245 7.868 2.437 161 HB3 SER 30 2HB SER 30 -0.855 7.413 4.095 162 HG SER 30 HG SER 30 -1.113 9.690 4.608 163 H GLU 31 H GLU 31 2.422 7.182 4.268 164 HA GLU 31 HA GLU 31 2.636 5.269 2.051 165 HB2 GLU 31 1HB GLU 31 5.082 5.255 2.270 166 HB3 GLU 31 2HB GLU 31 4.483 6.838 1.795 167 HG2 GLU 31 1HG GLU 31 4.560 7.341 4.341 168 HG3 GLU 31 2HG GLU 31 5.657 5.962 4.393 169 H PHE 32 H PHE 32 4.185 3.397 2.832 170 HA PHE 32 HA PHE 32 4.065 2.794 5.636 171 HB2 PHE 32 1HB PHE 32 2.688 0.713 5.311 172 HB3 PHE 32 2HB PHE 32 1.790 2.219 5.152 173 HD1 PHE 32 1HD PHE 32 3.135 -0.685 3.381 174 HD2 PHE 32 2HD PHE 32 0.889 2.913 3.029 175 HE1 PHE 32 1HE PHE 32 2.340 -1.402 1.166 176 HE2 PHE 32 2HE PHE 32 0.090 2.202 0.814 177 HZ PHE 32 HZ PHE 32 0.814 0.041 -0.120 178 H ILE 33 H ILE 33 5.203 0.862 6.188 179 HA ILE 33 HA ILE 33 7.083 0.040 4.087 180 HB ILE 33 HB ILE 33 7.293 -0.083 7.094 181 HG12 ILE 33 1HG1 ILE 33 8.880 1.414 4.996 182 HG13 ILE 33 2HG1 ILE 33 7.699 2.120 6.095 183 HG21 ILE 33 1HG2 ILE 33 9.633 -0.915 6.614 184 HG22 ILE 33 2HG2 ILE 33 8.327 -2.069 6.346 185 HG23 ILE 33 3HG2 ILE 33 9.077 -1.251 4.975 186 HD11 ILE 33 1HD1 ILE 33 9.785 2.627 7.015 187 HD12 ILE 33 2HD1 ILE 33 9.185 1.273 7.973 188 HD13 ILE 33 3HD1 ILE 33 10.404 1.001 6.728 189 H VAL 34 H VAL 34 7.459 -2.099 3.609 190 HA VAL 34 HA VAL 34 5.572 -4.031 4.796 191 HB VAL 34 HB VAL 34 6.685 -3.994 1.986 192 HG11 VAL 34 1HG1 VAL 34 4.522 -5.814 2.329 193 HG12 VAL 34 2HG1 VAL 34 6.182 -6.151 1.836 194 HG13 VAL 34 3HG1 VAL 34 5.749 -6.163 3.546 195 HG21 VAL 34 1HG2 VAL 34 5.008 -2.503 1.747 196 HG22 VAL 34 2HG2 VAL 34 4.002 -3.951 1.713 197 HG23 VAL 34 3HG2 VAL 34 4.180 -3.036 3.210 198 H ASN 35 H ASN 35 6.658 -5.281 6.175 199 HA ASN 35 HA ASN 35 9.452 -5.795 5.968 200 HB2 ASN 35 1HB ASN 35 8.699 -5.843 8.167 201 HB3 ASN 35 2HB ASN 35 7.247 -6.751 7.757 202 HD21 ASN 35 1HD2 ASN 35 10.515 -6.904 8.731 203 HD22 ASN 35 2HD2 ASN 35 10.640 -8.624 8.840 204 H THR 36 H THR 36 10.191 -6.977 4.316 205 HA THR 36 HA THR 36 8.935 -9.599 3.839 206 HB THR 36 HB THR 36 9.532 -9.426 1.464 207 HG1 THR 36 1HG THR 36 11.270 -7.867 1.823 208 HG21 THR 36 1HG2 THR 36 7.816 -7.886 0.798 209 HG22 THR 36 2HG2 THR 36 7.941 -7.011 2.324 210 HG23 THR 36 3HG2 THR 36 7.305 -8.655 2.300 211 H LEU 37 H LEU 37 11.275 -8.680 5.485 212 HA LEU 37 HA LEU 37 13.591 -9.745 4.135 213 HB2 LEU 37 1HB LEU 37 13.277 -9.057 7.049 214 HB3 LEU 37 2HB LEU 37 14.785 -9.255 6.159 215 HG LEU 37 HG LEU 37 12.839 -7.104 5.404 216 HD11 LEU 37 1HD1 LEU 37 13.327 -5.796 7.144 217 HD12 LEU 37 2HD1 LEU 37 15.029 -6.256 7.129 218 HD13 LEU 37 3HD1 LEU 37 13.848 -7.275 7.950 219 HD21 LEU 37 1HD2 LEU 37 15.008 -6.005 4.751 220 HD22 LEU 37 2HD2 LEU 37 14.576 -7.442 3.825 221 HD23 LEU 37 3HD2 LEU 37 15.801 -7.543 5.091 222 H ASN 38 H ASN 38 11.186 -10.868 6.397 223 HA ASN 38 HA ASN 38 12.596 -13.198 7.242 224 HB2 ASN 38 1HB ASN 38 9.776 -12.218 7.466 225 HB3 ASN 38 2HB ASN 38 10.126 -13.905 7.830 226 HD21 ASN 38 1HD2 ASN 38 10.757 -10.590 8.728 227 HD22 ASN 38 2HD2 ASN 38 11.334 -10.928 10.321 228 H ALA 39 H ALA 39 10.351 -12.468 4.642 229 HA ALA 39 HA ALA 39 9.799 -15.118 3.850 230 HB1 ALA 39 1HB ALA 39 8.630 -14.202 2.132 231 HB2 ALA 39 2HB ALA 39 8.771 -12.767 3.148 232 HB3 ALA 39 3HB ALA 39 9.867 -12.994 1.786 233 H GLY 40 H GLY 40 12.095 -12.742 2.492 234 HA2 GLY 40 1HA GLY 40 14.391 -13.643 2.104 235 HA3 GLY 40 2HA GLY 40 13.597 -15.025 1.365 236 H SER 41 H SER 41 12.247 -14.565 -0.564 237 HA SER 41 HA SER 41 12.731 -12.118 -1.997 238 HB2 SER 41 1HB SER 41 13.840 -13.269 -3.935 239 HB3 SER 41 2HB SER 41 14.840 -13.179 -2.485 240 HG SER 41 HG SER 41 13.877 -15.362 -3.803 241 H GLY 42 H GLY 42 11.350 -11.841 -3.745 242 HA2 GLY 42 1HA GLY 42 9.903 -13.800 -5.082 243 HA3 GLY 42 2HA GLY 42 8.946 -13.347 -3.680 244 H ALA 43 H ALA 43 7.299 -12.500 -4.992 245 HA ALA 43 HA ALA 43 7.982 -9.921 -6.246 246 HB1 ALA 43 1HB ALA 43 6.336 -12.170 -7.266 247 HB2 ALA 43 2HB ALA 43 5.807 -10.527 -7.634 248 HB3 ALA 43 3HB ALA 43 7.411 -11.068 -8.128 249 H LEU 44 H LEU 44 7.062 -8.254 -5.263 250 HA LEU 44 HA LEU 44 4.774 -8.714 -3.503 251 HB2 LEU 44 1HB LEU 44 6.568 -7.546 -2.470 252 HB3 LEU 44 2HB LEU 44 6.694 -6.420 -3.820 253 HG LEU 44 HG LEU 44 4.338 -5.653 -3.143 254 HD11 LEU 44 1HD1 LEU 44 4.438 -7.754 -1.437 255 HD12 LEU 44 2HD1 LEU 44 3.399 -6.346 -1.225 256 HD13 LEU 44 3HD1 LEU 44 4.944 -6.437 -0.380 257 HD21 LEU 44 1HD2 LEU 44 5.756 -4.660 -0.936 258 HD22 LEU 44 2HD2 LEU 44 5.574 -3.917 -2.525 259 HD23 LEU 44 3HD2 LEU 44 6.955 -4.963 -2.193 260 H SER 45 H SER 45 2.844 -7.585 -3.666 261 HA SER 45 HA SER 45 2.460 -5.981 -6.101 262 HB2 SER 45 1HB SER 45 1.580 -8.468 -6.111 263 HB3 SER 45 2HB SER 45 0.261 -7.783 -5.162 264 HG SER 45 HG SER 45 0.395 -7.789 -7.720 265 H VAL 46 H VAL 46 1.662 -4.046 -5.654 266 HA VAL 46 HA VAL 46 0.016 -3.724 -3.229 267 HB VAL 46 HB VAL 46 1.975 -1.729 -4.376 268 HG11 VAL 46 1HG1 VAL 46 -0.299 -1.081 -3.109 269 HG12 VAL 46 2HG1 VAL 46 0.757 -1.325 -1.716 270 HG13 VAL 46 3HG1 VAL 46 1.191 -0.151 -2.959 271 HG21 VAL 46 1HG2 VAL 46 2.326 -3.892 -2.555 272 HG22 VAL 46 2HG2 VAL 46 3.510 -2.704 -3.100 273 HG23 VAL 46 3HG2 VAL 46 2.523 -2.376 -1.677 274 H THR 47 H THR 47 -1.852 -2.595 -3.411 275 HA THR 47 HA THR 47 -2.389 -0.971 -5.752 276 HB THR 47 HB THR 47 -4.543 -2.208 -6.216 277 HG1 THR 47 1HG THR 47 -3.353 -4.478 -5.059 278 HG21 THR 47 1HG2 THR 47 -2.667 -2.404 -7.734 279 HG22 THR 47 2HG2 THR 47 -3.443 -3.978 -7.559 280 HG23 THR 47 3HG2 THR 47 -1.932 -3.641 -6.714 281 H ILE 48 H ILE 48 -4.234 0.367 -5.527 282 HA ILE 48 HA ILE 48 -5.499 0.355 -2.874 283 HB ILE 48 HB ILE 48 -4.366 2.784 -4.266 284 HG12 ILE 48 1HG1 ILE 48 -3.689 1.637 -1.553 285 HG13 ILE 48 2HG1 ILE 48 -2.770 1.285 -3.012 286 HG21 ILE 48 1HG2 ILE 48 -6.351 2.472 -2.093 287 HG22 ILE 48 2HG2 ILE 48 -5.128 3.725 -1.889 288 HG23 ILE 48 3HG2 ILE 48 -6.182 3.744 -3.303 289 HD11 ILE 48 1HD1 ILE 48 -2.218 3.286 -1.275 290 HD12 ILE 48 2HD1 ILE 48 -1.720 3.257 -2.967 291 HD13 ILE 48 3HD1 ILE 48 -3.172 4.136 -2.490 292 H ASP 49 H ASP 49 -7.644 0.648 -2.901 293 HA ASP 49 HA ASP 49 -8.880 1.695 -5.359 294 HB2 ASP 49 1HB ASP 49 -8.989 -0.903 -4.849 295 HB3 ASP 49 2HB ASP 49 -10.296 -0.405 -3.779 296 H GLY 50 H GLY 50 -10.066 3.438 -4.971 297 HA2 GLY 50 1HA GLY 50 -11.703 3.571 -2.560 298 HA3 GLY 50 2HA GLY 50 -10.478 4.817 -2.743 299 HA PRO 51 HA PRO 51 -14.424 6.252 -4.752 300 HB2 PRO 51 1HB PRO 51 -14.474 8.664 -3.506 301 HB3 PRO 51 2HB PRO 51 -15.190 7.207 -2.808 302 HG2 PRO 51 1HG PRO 51 -12.542 8.478 -2.233 303 HG3 PRO 51 2HG PRO 51 -13.725 7.796 -1.101 304 HD2 PRO 51 1HD PRO 51 -11.508 6.449 -1.878 305 HD3 PRO 51 2HD PRO 51 -13.034 5.631 -1.488 306 H SER 52 H SER 52 -11.170 7.039 -4.716 307 HA SER 52 HA SER 52 -11.320 8.391 -7.225 308 HB2 SER 52 1HB SER 52 -10.805 9.969 -4.730 309 HB3 SER 52 2HB SER 52 -9.985 10.421 -6.225 310 HG SER 52 HG SER 52 -12.229 10.319 -7.141 311 H LYS 53 H LYS 53 -9.688 7.512 -8.290 312 HA LYS 53 HA LYS 53 -7.698 5.932 -7.491 313 HB2 LYS 53 1HB LYS 53 -7.719 8.015 -9.648 314 HB3 LYS 53 2HB LYS 53 -6.270 7.060 -9.365 315 HG2 LYS 53 1HG LYS 53 -7.298 5.078 -10.003 316 HG3 LYS 53 2HG LYS 53 -8.921 5.732 -9.767 317 HD2 LYS 53 1HD LYS 53 -7.017 6.727 -11.880 318 HD3 LYS 53 2HD LYS 53 -8.209 5.457 -12.164 319 HE2 LYS 53 1HE LYS 53 -9.950 7.103 -11.340 320 HE3 LYS 53 2HE LYS 53 -8.695 8.337 -11.439 321 HZ1 LYS 53 1HZ LYS 53 -9.361 6.628 -13.756 322 HZ2 LYS 53 2HZ LYS 53 -8.562 8.118 -13.740 323 HZ3 LYS 53 3HZ LYS 53 -10.224 8.047 -13.433 324 H VAL 54 H VAL 54 -5.536 6.086 -6.817 325 HA VAL 54 HA VAL 54 -4.695 8.702 -5.767 326 HB VAL 54 HB VAL 54 -3.843 7.658 -3.734 327 HG11 VAL 54 1HG1 VAL 54 -5.892 7.424 -2.595 328 HG12 VAL 54 2HG1 VAL 54 -6.221 8.523 -3.936 329 HG13 VAL 54 3HG1 VAL 54 -6.718 6.833 -4.037 330 HG21 VAL 54 1HG2 VAL 54 -4.869 5.160 -5.027 331 HG22 VAL 54 2HG2 VAL 54 -3.304 5.464 -4.274 332 HG23 VAL 54 3HG2 VAL 54 -4.743 5.276 -3.271 333 H GLN 55 H GLN 55 -2.877 9.230 -6.773 334 HA GLN 55 HA GLN 55 -1.242 7.469 -8.206 335 HB2 GLN 55 1HB GLN 55 -1.447 10.088 -8.246 336 HB3 GLN 55 2HB GLN 55 -0.134 10.009 -7.080 337 HG2 GLN 55 1HG GLN 55 1.353 9.128 -8.611 338 HG3 GLN 55 2HG GLN 55 0.072 8.529 -9.663 339 HE21 GLN 55 1HE2 GLN 55 2.043 11.221 -8.797 340 HE22 GLN 55 2HE2 GLN 55 1.554 12.267 -10.082 341 H LEU 56 H LEU 56 -0.039 5.883 -7.412 342 HA LEU 56 HA LEU 56 1.240 6.251 -4.788 343 HB2 LEU 56 1HB LEU 56 1.413 3.783 -4.750 344 HB3 LEU 56 2HB LEU 56 -0.245 4.380 -4.796 345 HG LEU 56 HG LEU 56 0.070 3.966 -7.396 346 HD11 LEU 56 1HD1 LEU 56 1.556 2.318 -8.003 347 HD12 LEU 56 2HD1 LEU 56 1.710 1.699 -6.359 348 HD13 LEU 56 3HD1 LEU 56 2.495 3.214 -6.807 349 HD21 LEU 56 1HD2 LEU 56 -1.358 2.811 -5.428 350 HD22 LEU 56 2HD2 LEU 56 -0.348 1.449 -5.918 351 HD23 LEU 56 3HD2 LEU 56 -1.375 2.258 -7.103 352 H ASP 57 H ASP 57 3.389 5.330 -4.504 353 HA ASP 57 HA ASP 57 4.942 4.981 -6.957 354 HB2 ASP 57 1HB ASP 57 4.930 7.433 -5.958 355 HB3 ASP 57 2HB ASP 57 6.107 6.743 -4.844 356 H CYS 58 H CYS 58 6.313 3.332 -6.787 357 HA CYS 58 HA CYS 58 6.644 2.037 -4.213 358 HB2 CYS 58 1HB CYS 58 7.663 0.214 -5.490 359 HB3 CYS 58 2HB CYS 58 6.121 0.683 -6.197 360 HG CYS 58 HG CYS 58 7.693 0.133 -8.350 361 H ARG 59 H ARG 59 8.519 1.839 -3.081 362 HA ARG 59 HA ARG 59 10.951 3.033 -4.208 363 HB2 ARG 59 1HB ARG 59 9.497 3.850 -1.737 364 HB3 ARG 59 2HB ARG 59 11.255 3.874 -1.707 365 HG2 ARG 59 1HG ARG 59 11.330 5.426 -3.526 366 HG3 ARG 59 2HG ARG 59 9.587 5.291 -3.772 367 HD2 ARG 59 1HD ARG 59 9.168 6.302 -1.617 368 HD3 ARG 59 2HD ARG 59 10.895 6.335 -1.264 369 HE ARG 59 HE ARG 59 10.181 7.760 -3.654 370 HH11 ARG 59 1HH1 ARG 59 10.493 7.955 -0.192 371 HH12 ARG 59 2HH1 ARG 59 10.700 9.675 -0.177 372 HH21 ARG 59 1HH2 ARG 59 10.451 10.025 -3.647 373 HH22 ARG 59 2HH2 ARG 59 10.674 10.852 -2.143 374 H GLU 60 H GLU 60 12.809 2.661 -2.473 375 HA GLU 60 HA GLU 60 12.641 -0.178 -1.701 376 HB2 GLU 60 1HB GLU 60 14.961 -0.408 -2.160 377 HB3 GLU 60 2HB GLU 60 14.264 0.442 -3.532 378 HG2 GLU 60 1HG GLU 60 15.013 2.583 -2.378 379 HG3 GLU 60 2HG GLU 60 15.978 1.542 -1.333 380 H CYS 61 H CYS 61 12.996 -0.730 0.362 381 HA CYS 61 HA CYS 61 14.225 1.240 2.160 382 HB2 CYS 61 1HB CYS 61 12.539 0.927 3.831 383 HB3 CYS 61 2HB CYS 61 11.715 1.306 2.324 384 HG CYS 61 HG CYS 61 10.104 -0.670 2.521 385 HA PRO 62 HA PRO 62 16.590 -2.126 3.690 386 HB2 PRO 62 1HB PRO 62 17.007 -1.335 6.253 387 HB3 PRO 62 2HB PRO 62 17.803 -0.573 4.871 388 HG2 PRO 62 1HG PRO 62 15.397 0.332 6.406 389 HG3 PRO 62 2HG PRO 62 16.774 1.284 5.819 390 HD2 PRO 62 1HD PRO 62 14.390 1.226 4.537 391 HD3 PRO 62 2HD PRO 62 15.932 1.415 3.678 392 H GLU 63 H GLU 63 13.441 -1.636 4.566 393 HA GLU 63 HA GLU 63 13.422 -3.849 6.500 394 HB2 GLU 63 1HB GLU 63 11.595 -1.537 6.001 395 HB3 GLU 63 2HB GLU 63 10.931 -3.007 6.697 396 HG2 GLU 63 1HG GLU 63 13.325 -1.633 7.867 397 HG3 GLU 63 2HG GLU 63 11.676 -1.185 8.300 398 H GLY 64 H GLY 64 12.800 -3.106 3.270 399 HA2 GLY 64 1HA GLY 64 12.335 -5.448 2.176 400 HA3 GLY 64 2HA GLY 64 10.781 -5.205 2.959 401 H HIS 65 H HIS 65 9.356 -3.656 2.164 402 HA HIS 65 HA HIS 65 10.148 -2.209 -0.253 403 HB2 HIS 65 1HB HIS 65 7.772 -4.070 -0.068 404 HB3 HIS 65 2HB HIS 65 8.035 -2.926 -1.381 405 HD1 HIS 65 1HD HIS 65 10.211 -3.379 -2.875 406 HD2 HIS 65 2HD HIS 65 9.061 -6.467 -0.345 407 HE1 HIS 65 1HE HIS 65 11.405 -5.423 -3.723 408 HE2 HIS 65 2HE HIS 65 10.628 -7.295 -2.229 409 H VAL 66 H VAL 66 9.300 -0.212 -0.379 410 HA VAL 66 HA VAL 66 7.103 0.468 1.465 411 HB VAL 66 HB VAL 66 9.259 1.362 2.279 412 HG11 VAL 66 1HG1 VAL 66 9.480 2.190 -0.498 413 HG12 VAL 66 2HG1 VAL 66 9.799 3.507 0.632 414 HG13 VAL 66 3HG1 VAL 66 10.730 2.012 0.732 415 HG21 VAL 66 1HG2 VAL 66 7.985 3.862 1.494 416 HG22 VAL 66 2HG2 VAL 66 6.839 2.655 2.079 417 HG23 VAL 66 3HG2 VAL 66 8.193 3.151 3.095 418 H VAL 67 H VAL 67 5.600 1.987 0.758 419 HA VAL 67 HA VAL 67 5.859 2.976 -1.988 420 HB VAL 67 HB VAL 67 3.442 1.485 -0.957 421 HG11 VAL 67 1HG1 VAL 67 3.854 3.313 -3.237 422 HG12 VAL 67 2HG1 VAL 67 2.966 1.827 -3.579 423 HG13 VAL 67 3HG1 VAL 67 2.388 2.934 -2.334 424 HG21 VAL 67 1HG2 VAL 67 5.706 0.385 -1.937 425 HG22 VAL 67 2HG2 VAL 67 4.104 -0.327 -2.125 426 HG23 VAL 67 3HG2 VAL 67 4.798 0.636 -3.428 427 H THR 68 H THR 68 4.960 4.950 -2.338 428 HA THR 68 HA THR 68 3.588 6.199 -0.047 429 HB THR 68 HB THR 68 5.184 7.689 -2.129 430 HG1 THR 68 1HG THR 68 6.002 6.636 0.388 431 HG21 THR 68 1HG2 THR 68 3.471 8.921 -0.782 432 HG22 THR 68 2HG2 THR 68 5.121 9.506 -0.563 433 HG23 THR 68 3HG2 THR 68 4.376 8.485 0.667 434 H TYR 69 H TYR 69 1.734 7.339 -0.398 435 HA TYR 69 HA TYR 69 0.840 7.823 -3.131 436 HB2 TYR 69 1HB TYR 69 -1.205 6.639 -2.930 437 HB3 TYR 69 2HB TYR 69 0.044 5.526 -2.386 438 HD1 TYR 69 1HD TYR 69 -2.549 7.890 -1.166 439 HD2 TYR 69 2HD TYR 69 -0.061 4.562 -0.248 440 HE1 TYR 69 1HE TYR 69 -3.762 7.575 0.950 441 HE2 TYR 69 2HE TYR 69 -1.268 4.237 1.870 442 HH TYR 69 HH TYR 69 -2.759 5.126 3.295 443 H THR 70 H THR 70 -1.222 9.098 -3.155 444 HA THR 70 HA THR 70 -1.593 10.708 -0.729 445 HB THR 70 HB THR 70 -1.149 11.834 -3.500 446 HG1 THR 70 1HG THR 70 0.596 11.221 -1.725 447 HG21 THR 70 1HG2 THR 70 -2.323 13.623 -2.886 448 HG22 THR 70 2HG2 THR 70 -1.249 13.851 -1.506 449 HG23 THR 70 3HG2 THR 70 -2.698 12.861 -1.341 450 HA PRO 71 HA PRO 71 -5.803 9.721 -1.838 451 HB2 PRO 71 1HB PRO 71 -6.935 10.940 0.308 452 HB3 PRO 71 2HB PRO 71 -6.149 9.359 0.404 453 HG2 PRO 71 1HG PRO 71 -5.076 12.056 1.139 454 HG3 PRO 71 2HG PRO 71 -4.928 10.517 2.009 455 HD2 PRO 71 1HD PRO 71 -2.936 11.521 0.473 456 HD3 PRO 71 2HD PRO 71 -3.211 9.777 0.662 457 H MET 72 H MET 72 -7.535 10.817 -2.731 458 HA MET 72 HA MET 72 -7.156 13.716 -3.090 459 HB2 MET 72 1HB MET 72 -8.734 11.945 -4.944 460 HB3 MET 72 2HB MET 72 -8.096 13.554 -5.253 461 HG2 MET 72 1HG MET 72 -6.352 11.153 -4.786 462 HG3 MET 72 2HG MET 72 -6.899 11.662 -6.382 463 HE1 MET 72 1HE MET 72 -6.991 14.154 -6.813 464 HE2 MET 72 2HE MET 72 -5.891 15.364 -6.153 465 HE3 MET 72 3HE MET 72 -5.393 14.375 -7.527 466 H ALA 73 H ALA 73 -9.300 11.217 -2.058 467 HA ALA 73 HA ALA 73 -11.234 13.248 -1.225 468 HB1 ALA 73 1HB ALA 73 -11.788 10.964 -3.056 469 HB2 ALA 73 2HB ALA 73 -13.032 11.465 -1.910 470 HB3 ALA 73 3HB ALA 73 -12.407 12.615 -3.091 471 HA PRO 74 HA PRO 74 -11.139 10.969 2.541 472 HB2 PRO 74 1HB PRO 74 -13.484 11.813 3.618 473 HB3 PRO 74 2HB PRO 74 -12.048 12.839 3.520 474 HG2 PRO 74 1HG PRO 74 -14.450 12.767 1.735 475 HG3 PRO 74 2HG PRO 74 -13.575 14.169 2.377 476 HD2 PRO 74 1HD PRO 74 -13.216 13.261 -0.148 477 HD3 PRO 74 2HD PRO 74 -11.912 14.019 0.788 478 H GLY 75 H GLY 75 -11.469 8.842 2.678 479 HA2 GLY 75 1HA GLY 75 -14.003 7.667 2.916 480 HA3 GLY 75 2HA GLY 75 -13.453 7.434 1.263 481 H ASN 76 H ASN 76 -13.620 5.137 1.908 482 HA ASN 76 HA ASN 76 -11.332 4.236 3.517 483 HB2 ASN 76 1HB ASN 76 -12.557 2.010 3.467 484 HB3 ASN 76 2HB ASN 76 -13.353 3.306 4.356 485 HD21 ASN 76 1HD2 ASN 76 -15.190 4.287 3.471 486 HD22 ASN 76 2HD2 ASN 76 -16.116 3.519 2.231 487 H TYR 77 H TYR 77 -9.592 3.944 2.274 488 HA TYR 77 HA TYR 77 -9.893 2.894 -0.434 489 HB2 TYR 77 1HB TYR 77 -7.511 4.028 1.041 490 HB3 TYR 77 2HB TYR 77 -7.437 3.392 -0.599 491 HD1 TYR 77 1HD TYR 77 -8.940 6.040 1.509 492 HD2 TYR 77 2HD TYR 77 -8.116 4.705 -2.446 493 HE1 TYR 77 1HE TYR 77 -9.604 8.241 0.634 494 HE2 TYR 77 2HE TYR 77 -8.777 6.903 -3.332 495 HH TYR 77 HH TYR 77 -10.556 8.968 -1.985 496 H LEU 78 H LEU 78 -9.615 0.819 -0.888 497 HA LEU 78 HA LEU 78 -8.694 -1.006 1.152 498 HB2 LEU 78 1HB LEU 78 -10.618 -1.350 -0.528 499 HB3 LEU 78 2HB LEU 78 -9.344 -1.753 -1.677 500 HG LEU 78 HG LEU 78 -10.344 -3.758 -0.721 501 HD11 LEU 78 1HD1 LEU 78 -7.563 -3.381 0.369 502 HD12 LEU 78 2HD1 LEU 78 -7.925 -3.673 -1.332 503 HD13 LEU 78 3HD1 LEU 78 -8.333 -4.890 -0.123 504 HD21 LEU 78 1HD2 LEU 78 -10.280 -4.276 1.589 505 HD22 LEU 78 2HD2 LEU 78 -10.947 -2.648 1.461 506 HD23 LEU 78 3HD2 LEU 78 -9.266 -2.877 1.947 507 H ILE 79 H ILE 79 -6.641 -1.540 1.424 508 HA ILE 79 HA ILE 79 -4.778 -1.213 -0.826 509 HB ILE 79 HB ILE 79 -4.188 -1.419 2.130 510 HG12 ILE 79 1HG1 ILE 79 -3.720 0.993 0.404 511 HG13 ILE 79 2HG1 ILE 79 -5.303 0.707 1.119 512 HG21 ILE 79 1HG2 ILE 79 -2.150 -0.453 0.226 513 HG22 ILE 79 2HG2 ILE 79 -1.973 -1.429 1.683 514 HG23 ILE 79 3HG2 ILE 79 -2.511 -2.179 0.181 515 HD11 ILE 79 1HD1 ILE 79 -4.108 2.181 2.543 516 HD12 ILE 79 2HD1 ILE 79 -4.184 0.612 3.346 517 HD13 ILE 79 3HD1 ILE 79 -2.696 1.125 2.551 518 H ALA 80 H ALA 80 -4.748 -3.101 -1.917 519 HA ALA 80 HA ALA 80 -4.715 -5.634 -0.493 520 HB1 ALA 80 1HB ALA 80 -4.320 -6.148 -3.199 521 HB2 ALA 80 2HB ALA 80 -5.841 -6.239 -2.311 522 HB3 ALA 80 3HB ALA 80 -5.400 -4.755 -3.155 523 H ILE 81 H ILE 81 -2.916 -6.659 0.071 524 HA ILE 81 HA ILE 81 -0.436 -6.072 -1.406 525 HB ILE 81 HB ILE 81 -0.691 -6.512 1.571 526 HG12 ILE 81 1HG1 ILE 81 0.370 -4.050 0.206 527 HG13 ILE 81 2HG1 ILE 81 -1.353 -4.244 0.511 528 HG21 ILE 81 1HG2 ILE 81 1.362 -7.438 0.334 529 HG22 ILE 81 2HG2 ILE 81 1.818 -5.749 0.122 530 HG23 ILE 81 3HG2 ILE 81 1.630 -6.414 1.745 531 HD11 ILE 81 1HD1 ILE 81 -0.884 -4.477 2.905 532 HD12 ILE 81 2HD1 ILE 81 0.831 -4.227 2.579 533 HD13 ILE 81 3HD1 ILE 81 -0.325 -2.935 2.257 534 H LYS 82 H LYS 82 0.461 -7.805 -2.289 535 HA LYS 82 HA LYS 82 -0.050 -10.438 -1.068 536 HB2 LYS 82 1HB LYS 82 0.139 -9.814 -4.021 537 HB3 LYS 82 2HB LYS 82 -0.076 -11.414 -3.323 538 HG2 LYS 82 1HG LYS 82 -2.207 -10.491 -2.277 539 HG3 LYS 82 2HG LYS 82 -2.014 -9.126 -3.379 540 HD2 LYS 82 1HD LYS 82 -1.789 -10.970 -5.200 541 HD3 LYS 82 2HD LYS 82 -2.570 -12.001 -3.998 542 HE2 LYS 82 1HE LYS 82 -4.552 -10.866 -4.114 543 HE3 LYS 82 2HE LYS 82 -3.781 -9.346 -4.561 544 HZ1 LYS 82 1HZ LYS 82 -4.964 -10.151 -6.439 545 HZ2 LYS 82 2HZ LYS 82 -4.272 -11.689 -6.312 546 HZ3 LYS 82 3HZ LYS 82 -3.318 -10.368 -6.764 547 H TYR 83 H TYR 83 1.581 -12.102 -1.774 548 HA TYR 83 HA TYR 83 4.106 -11.319 -2.781 549 HB2 TYR 83 1HB TYR 83 4.086 -10.223 -0.483 550 HB3 TYR 83 2HB TYR 83 4.115 -11.849 0.190 551 HD1 TYR 83 2HD TYR 83 6.031 -9.311 -1.630 552 HD2 TYR 83 1HD TYR 83 6.108 -13.224 0.039 553 HE1 TYR 83 2HE TYR 83 8.482 -9.341 -1.830 554 HE2 TYR 83 1HE TYR 83 8.560 -13.264 -0.154 555 HH TYR 83 HH TYR 83 10.426 -10.820 -0.393 556 H GLY 84 H GLY 84 4.650 -13.117 -3.814 557 HA2 GLY 84 1HA GLY 84 5.101 -15.328 -4.240 558 HA3 GLY 84 2HA GLY 84 5.192 -15.550 -2.499 559 H GLY 85 H GLY 85 2.485 -14.633 -4.625 560 HA2 GLY 85 1HA GLY 85 1.101 -16.912 -4.934 561 HA3 GLY 85 2HA GLY 85 0.781 -16.536 -3.248 562 HA PRO 86 HA PRO 86 -1.846 -13.998 -6.401 563 HB2 PRO 86 1HB PRO 86 -3.921 -15.684 -6.872 564 HB3 PRO 86 2HB PRO 86 -2.483 -15.621 -7.898 565 HG2 PRO 86 1HG PRO 86 -3.168 -17.551 -5.715 566 HG3 PRO 86 2HG PRO 86 -2.462 -17.870 -7.310 567 HD2 PRO 86 1HD PRO 86 -0.972 -17.768 -5.052 568 HD3 PRO 86 2HD PRO 86 -0.344 -17.264 -6.633 569 H GLN 87 H GLN 87 -2.111 -15.629 -3.474 570 HA GLN 87 HA GLN 87 -4.708 -14.462 -2.805 571 HB2 GLN 87 1HB GLN 87 -4.711 -15.865 -0.878 572 HB3 GLN 87 2HB GLN 87 -4.167 -16.852 -2.228 573 HG2 GLN 87 1HG GLN 87 -1.791 -16.092 -1.365 574 HG3 GLN 87 2HG GLN 87 -2.674 -15.890 0.147 575 HE21 GLN 87 1HE2 GLN 87 -4.309 -17.874 0.397 576 HE22 GLN 87 2HE2 GLN 87 -3.529 -19.412 0.294 577 H HIS 88 H HIS 88 -4.928 -13.361 -0.694 578 HA HIS 88 HA HIS 88 -3.022 -11.253 -0.477 579 HB2 HIS 88 1HB HIS 88 -5.439 -11.998 1.172 580 HB3 HIS 88 2HB HIS 88 -4.449 -10.581 1.511 581 HD1 HIS 88 1HD HIS 88 -5.521 -8.552 0.624 582 HD2 HIS 88 2HD HIS 88 -6.192 -11.835 -1.832 583 HE1 HIS 88 1HE HIS 88 -6.894 -7.685 -1.296 584 HE2 HIS 88 2HE HIS 88 -7.360 -9.706 -2.724 585 H ILE 89 H ILE 89 -1.816 -10.668 1.421 586 HA ILE 89 HA ILE 89 -0.546 -12.960 2.637 587 HB ILE 89 HB ILE 89 1.009 -11.360 3.620 588 HG12 ILE 89 1HG1 ILE 89 -0.330 -9.084 2.220 589 HG13 ILE 89 2HG1 ILE 89 -0.963 -9.601 3.779 590 HG21 ILE 89 1HG2 ILE 89 0.763 -10.277 0.883 591 HG22 ILE 89 2HG2 ILE 89 2.144 -11.014 1.694 592 HG23 ILE 89 3HG2 ILE 89 0.864 -12.031 1.032 593 HD11 ILE 89 1HD1 ILE 89 1.404 -9.351 4.650 594 HD12 ILE 89 2HD1 ILE 89 1.751 -8.505 3.141 595 HD13 ILE 89 3HD1 ILE 89 0.536 -7.869 4.249 596 H VAL 90 H VAL 90 -0.030 -12.867 5.023 597 HA VAL 90 HA VAL 90 -2.344 -13.081 6.539 598 HB VAL 90 HB VAL 90 -0.293 -14.141 7.254 599 HG11 VAL 90 1HG1 VAL 90 1.675 -13.110 7.314 600 HG12 VAL 90 2HG1 VAL 90 0.875 -11.668 6.684 601 HG13 VAL 90 3HG1 VAL 90 1.061 -11.886 8.425 602 HG21 VAL 90 1HG2 VAL 90 -2.093 -12.971 8.903 603 HG22 VAL 90 2HG2 VAL 90 -0.786 -14.021 9.448 604 HG23 VAL 90 3HG2 VAL 90 -0.590 -12.269 9.501 605 H GLY 91 H GLY 91 -3.739 -11.546 7.093 606 HA2 GLY 91 1HA GLY 91 -4.126 -9.650 8.581 607 HA3 GLY 91 2HA GLY 91 -2.660 -8.929 7.935 608 H SER 92 H SER 92 -3.098 -9.396 5.202 609 HA SER 92 HA SER 92 -4.769 -7.187 4.580 610 HB2 SER 92 1HB SER 92 -3.153 -9.150 3.024 611 HB3 SER 92 2HB SER 92 -4.399 -8.248 2.161 612 HG SER 92 HG SER 92 -1.978 -7.425 2.946 613 HA PRO 93 HA PRO 93 -5.669 -6.729 2.319 614 HB2 PRO 93 1HB PRO 93 -8.023 -5.390 2.126 615 HB3 PRO 93 2HB PRO 93 -7.545 -6.661 0.994 616 HG2 PRO 93 1HG PRO 93 -9.378 -6.819 3.356 617 HG3 PRO 93 2HG PRO 93 -9.572 -7.523 1.740 618 HD2 PRO 93 1HD PRO 93 -8.730 -8.970 3.869 619 HD3 PRO 93 2HD PRO 93 -8.186 -9.303 2.212 620 H PHE 94 H PHE 94 -5.800 -4.360 2.828 621 HA PHE 94 HA PHE 94 -6.218 -3.936 5.714 622 HB2 PHE 94 1HB PHE 94 -4.026 -2.912 3.911 623 HB3 PHE 94 2HB PHE 94 -4.364 -2.204 5.488 624 HD1 PHE 94 2HD PHE 94 -4.233 -3.714 7.524 625 HD2 PHE 94 1HD PHE 94 -2.684 -4.804 3.713 626 HE1 PHE 94 2HE PHE 94 -2.811 -5.415 8.592 627 HE2 PHE 94 1HE PHE 94 -1.260 -6.507 4.775 628 HZ PHE 94 HZ PHE 94 -1.322 -6.813 7.218 629 H LYS 95 H LYS 95 -7.861 -2.614 6.069 630 HA LYS 95 HA LYS 95 -8.788 -0.798 4.016 631 HB2 LYS 95 1HB LYS 95 -10.242 -2.208 5.618 632 HB3 LYS 95 2HB LYS 95 -9.881 -0.970 6.813 633 HG2 LYS 95 1HG LYS 95 -11.137 0.618 5.756 634 HG3 LYS 95 2HG LYS 95 -10.926 -0.116 4.164 635 HD2 LYS 95 1HD LYS 95 -12.481 -1.529 6.301 636 HD3 LYS 95 2HD LYS 95 -13.237 -0.264 5.329 637 HE2 LYS 95 1HE LYS 95 -11.738 -2.446 3.958 638 HE3 LYS 95 2HE LYS 95 -13.346 -2.785 4.595 639 HZ1 LYS 95 1HZ LYS 95 -13.831 -2.076 2.490 640 HZ2 LYS 95 2HZ LYS 95 -12.552 -0.971 2.428 641 HZ3 LYS 95 3HZ LYS 95 -13.939 -0.609 3.326 642 H ALA 96 H ALA 96 -8.316 1.296 3.872 643 HA ALA 96 HA ALA 96 -7.052 2.600 6.196 644 HB1 ALA 96 1HB ALA 96 -5.524 2.224 4.281 645 HB2 ALA 96 2HB ALA 96 -6.569 3.242 3.290 646 HB3 ALA 96 3HB ALA 96 -5.735 3.928 4.684 647 H LYS 97 H LYS 97 -8.536 3.867 7.118 648 HA LYS 97 HA LYS 97 -10.521 5.240 5.487 649 HB2 LYS 97 1HB LYS 97 -11.391 4.198 7.456 650 HB3 LYS 97 2HB LYS 97 -10.160 4.941 8.469 651 HG2 LYS 97 1HG LYS 97 -11.140 7.116 8.149 652 HG3 LYS 97 2HG LYS 97 -12.308 6.457 7.001 653 HD2 LYS 97 1HD LYS 97 -13.537 6.584 8.966 654 HD3 LYS 97 2HD LYS 97 -12.992 4.905 8.958 655 HE2 LYS 97 1HE LYS 97 -12.596 5.658 11.144 656 HE3 LYS 97 2HE LYS 97 -11.021 5.711 10.356 657 HZ1 LYS 97 1HZ LYS 97 -12.667 7.881 11.348 658 HZ2 LYS 97 2HZ LYS 97 -11.926 8.168 9.855 659 HZ3 LYS 97 3HZ LYS 97 -10.984 7.775 11.205 660 H VAL 98 H VAL 98 -9.881 7.086 4.582 661 HA VAL 98 HA VAL 98 -8.005 8.826 6.003 662 HB VAL 98 HB VAL 98 -9.035 9.013 3.168 663 HG11 VAL 98 1HG1 VAL 98 -6.600 10.421 4.149 664 HG12 VAL 98 2HG1 VAL 98 -7.692 10.841 2.828 665 HG13 VAL 98 3HG1 VAL 98 -8.184 11.111 4.501 666 HG21 VAL 98 1HG2 VAL 98 -7.689 7.100 3.232 667 HG22 VAL 98 2HG2 VAL 98 -6.602 8.374 2.682 668 HG23 VAL 98 3HG2 VAL 98 -6.546 7.831 4.359 669 H THR 99 H THR 99 -8.532 10.793 6.782 670 HA THR 99 HA THR 99 -11.327 11.664 6.445 671 HB THR 99 HB THR 99 -10.885 11.052 8.749 672 HG1 THR 99 1HG THR 99 -11.014 13.864 8.304 673 HG21 THR 99 1HG2 THR 99 -9.178 12.121 10.085 674 HG22 THR 99 2HG2 THR 99 -8.689 13.125 8.720 675 HG23 THR 99 3HG2 THR 99 -8.425 11.382 8.673 676 H GLY 100 H GLY 100 -11.726 13.969 6.438 677 HA2 GLY 100 1HA GLY 100 -10.642 16.214 6.442 678 HA3 GLY 100 2HA GLY 100 -9.410 15.495 5.414 679 HA PRO 101 HA PRO 101 -12.952 17.434 2.926 680 HB2 PRO 101 1HB PRO 101 -11.576 19.554 1.934 681 HB3 PRO 101 2HB PRO 101 -12.486 19.622 3.448 682 HG2 PRO 101 1HG PRO 101 -9.549 19.237 3.020 683 HG3 PRO 101 2HG PRO 101 -10.382 20.252 4.211 684 HD2 PRO 101 1HD PRO 101 -9.345 17.829 4.833 685 HD3 PRO 101 2HD PRO 101 -10.799 18.475 5.619 686 H ARG 102 H ARG 102 -13.160 17.174 0.718 687 HA ARG 102 HA ARG 102 -11.423 15.410 -0.580 688 HB2 ARG 102 1HB ARG 102 -13.924 16.135 -1.061 689 HB3 ARG 102 2HB ARG 102 -13.148 17.238 -2.189 690 HG2 ARG 102 1HG ARG 102 -11.926 15.139 -3.054 691 HG3 ARG 102 2HG ARG 102 -13.191 14.249 -2.205 692 HD2 ARG 102 1HD ARG 102 -14.848 15.704 -3.469 693 HD3 ARG 102 2HD ARG 102 -13.485 16.207 -4.467 694 HE ARG 102 HE ARG 102 -13.323 13.545 -4.639 695 HH11 ARG 102 1HH1 ARG 102 -16.024 15.715 -4.977 696 HH12 ARG 102 2HH1 ARG 102 -16.866 14.701 -6.101 697 HH21 ARG 102 1HH2 ARG 102 -14.422 12.201 -6.119 698 HH22 ARG 102 2HH2 ARG 102 -15.954 12.702 -6.749 699 H LEU 103 H LEU 103 -9.312 16.122 -0.606 700 HA LEU 103 HA LEU 103 -8.706 18.683 -1.865 701 HB2 LEU 103 1HB LEU 103 -7.016 16.653 -0.425 702 HB3 LEU 103 2HB LEU 103 -6.338 18.059 -1.243 703 HG LEU 103 HG LEU 103 -8.423 18.415 0.875 704 HD11 LEU 103 1HD1 LEU 103 -6.197 18.811 2.291 705 HD12 LEU 103 2HD1 LEU 103 -5.628 17.518 1.237 706 HD13 LEU 103 3HD1 LEU 103 -7.045 17.265 2.255 707 HD21 LEU 103 1HD2 LEU 103 -7.916 20.389 -0.320 708 HD22 LEU 103 2HD2 LEU 103 -6.183 20.066 -0.270 709 HD23 LEU 103 3HD2 LEU 103 -7.041 20.508 1.207 710 H SER 104 H SER 104 -9.795 17.208 -3.751 711 HA SER 104 HA SER 104 -7.658 15.834 -5.211 712 HB2 SER 104 1HB SER 104 -9.394 14.918 -6.617 713 HB3 SER 104 2HB SER 104 -9.888 14.720 -4.935 714 HG SER 104 HG SER 104 -11.339 16.353 -5.163 715 H GLY 105 H GLY 105 -6.420 17.326 -6.215 716 HA2 GLY 105 1HA GLY 105 -7.577 19.668 -7.450 717 HA3 GLY 105 2HA GLY 105 -5.879 19.218 -7.447 718 H SER 106 H SER 106 -6.414 20.146 -9.730 719 HA SER 106 HA SER 106 -7.673 18.296 -11.541 720 HB2 SER 106 1HB SER 106 -7.295 19.908 -13.223 721 HB3 SER 106 2HB SER 106 -7.584 20.858 -11.766 722 HG SER 106 HG SER 106 -5.211 20.440 -13.186 723 H GLY 107 H GLY 107 -6.626 17.229 -13.301 724 HA2 GLY 107 1HA GLY 107 -3.720 16.966 -13.158 725 HA3 GLY 107 2HA GLY 107 -4.665 15.514 -12.862 726 HA PRO 108 HA PRO 108 -3.773 15.627 -17.380 727 HB2 PRO 108 1HB PRO 108 -3.310 12.959 -17.576 728 HB3 PRO 108 2HB PRO 108 -2.061 14.119 -17.108 729 HG2 PRO 108 1HG PRO 108 -3.732 12.335 -15.380 730 HG3 PRO 108 2HG PRO 108 -1.999 12.694 -15.272 731 HD2 PRO 108 1HD PRO 108 -3.835 13.880 -13.673 732 HD3 PRO 108 2HD PRO 108 -2.354 14.704 -14.201 733 H SER 109 H SER 109 -5.060 14.906 -19.088 734 HA SER 109 HA SER 109 -7.512 13.465 -18.319 735 HB2 SER 109 1HB SER 109 -8.134 15.758 -18.664 736 HB3 SER 109 2HB SER 109 -7.216 15.840 -20.167 737 HG SER 109 HG SER 109 -9.745 15.170 -19.860 738 H SER 110 H SER 110 -5.648 14.473 -21.189 739 HA SER 110 HA SER 110 -6.623 12.562 -22.952 740 HB2 SER 110 1HB SER 110 -4.721 13.048 -24.338 741 HB3 SER 110 2HB SER 110 -5.186 14.548 -23.534 742 HG SER 110 HG SER 110 -2.882 14.027 -23.521 743 H GLY 111 H GLY 111 -5.591 10.634 -23.809 744 HA2 GLY 111 1HA GLY 111 -4.610 8.953 -21.653 745 HA3 GLY 111 2HA GLY 111 -5.074 8.423 -23.263 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -0.861 -34.326 2.952 2 HA2 GLY 1 1HA GLY 1 1.410 -35.105 2.043 3 HA3 GLY 1 2HA GLY 1 0.143 -34.863 0.850 4 H SER 2 H SER 2 2.478 -34.717 -0.235 5 HA SER 2 HA SER 2 3.580 -32.037 -0.100 6 HB2 SER 2 1HB SER 2 5.341 -32.840 -1.474 7 HB3 SER 2 2HB SER 2 4.963 -34.169 -0.378 8 HG SER 2 HG SER 2 4.779 -34.052 -3.088 9 H SER 3 H SER 3 2.761 -30.424 -1.239 10 HA SER 3 HA SER 3 1.889 -30.887 -3.985 11 HB2 SER 3 1HB SER 3 0.122 -30.016 -1.744 12 HB3 SER 3 2HB SER 3 -0.116 -29.268 -3.323 13 HG SER 3 HG SER 3 -0.996 -31.606 -2.520 14 H GLY 4 H GLY 4 1.425 -28.769 -5.109 15 HA2 GLY 4 1HA GLY 4 1.746 -26.362 -5.118 16 HA3 GLY 4 2HA GLY 4 3.054 -26.590 -3.966 17 H SER 5 H SER 5 4.049 -25.144 -5.692 18 HA SER 5 HA SER 5 5.272 -26.840 -7.770 19 HB2 SER 5 1HB SER 5 4.246 -24.034 -7.879 20 HB3 SER 5 2HB SER 5 5.633 -24.465 -8.879 21 HG SER 5 HG SER 5 4.412 -25.898 -9.979 22 H SER 6 H SER 6 7.404 -25.773 -8.567 23 HA SER 6 HA SER 6 9.081 -25.478 -6.217 24 HB2 SER 6 1HB SER 6 9.853 -26.993 -7.944 25 HB3 SER 6 2HB SER 6 9.756 -25.718 -9.158 26 HG SER 6 HG SER 6 11.553 -25.945 -6.987 27 H GLY 7 H GLY 7 10.358 -23.713 -5.731 28 HA2 GLY 7 1HA GLY 7 11.162 -21.544 -5.850 29 HA3 GLY 7 2HA GLY 7 10.457 -21.408 -7.454 30 H ALA 8 H ALA 8 9.777 -21.224 -4.005 31 HA ALA 8 HA ALA 8 7.804 -19.163 -4.512 32 HB1 ALA 8 1HB ALA 8 6.061 -20.552 -4.430 33 HB2 ALA 8 2HB ALA 8 7.047 -21.890 -3.838 34 HB3 ALA 8 3HB ALA 8 6.406 -20.699 -2.706 35 H GLY 9 H GLY 9 7.219 -17.973 -2.605 36 HA2 GLY 9 1HA GLY 9 9.313 -18.135 -0.552 37 HA3 GLY 9 2HA GLY 9 8.320 -16.727 -0.899 38 H ASP 10 H ASP 10 7.262 -16.288 0.929 39 HA ASP 10 HA ASP 10 5.278 -18.123 1.880 40 HB2 ASP 10 1HB ASP 10 7.767 -17.622 3.482 41 HB3 ASP 10 2HB ASP 10 6.236 -17.932 4.296 42 HA PRO 11 HA PRO 11 3.838 -13.879 2.381 43 HB2 PRO 11 1HB PRO 11 1.209 -14.551 2.460 44 HB3 PRO 11 2HB PRO 11 2.120 -14.411 0.951 45 HG2 PRO 11 1HG PRO 11 1.405 -16.864 2.512 46 HG3 PRO 11 2HG PRO 11 1.352 -16.598 0.760 47 HD2 PRO 11 1HD PRO 11 3.374 -17.931 1.970 48 HD3 PRO 11 2HD PRO 11 3.616 -16.949 0.510 49 H GLY 12 H GLY 12 3.097 -16.716 4.314 50 HA2 GLY 12 1HA GLY 12 1.710 -15.500 6.420 51 HA3 GLY 12 2HA GLY 12 2.663 -16.970 6.552 52 H LEU 13 H LEU 13 5.065 -15.383 5.598 53 HA LEU 13 HA LEU 13 5.739 -14.290 8.237 54 HB2 LEU 13 1HB LEU 13 7.627 -14.975 5.996 55 HB3 LEU 13 2HB LEU 13 8.031 -14.651 7.681 56 HG LEU 13 HG LEU 13 6.672 -17.090 6.550 57 HD11 LEU 13 1HD1 LEU 13 8.635 -18.159 7.780 58 HD12 LEU 13 2HD1 LEU 13 9.325 -16.537 7.837 59 HD13 LEU 13 3HD1 LEU 13 8.986 -17.297 6.282 60 HD21 LEU 13 1HD2 LEU 13 5.671 -16.261 8.720 61 HD22 LEU 13 2HD2 LEU 13 7.244 -16.567 9.457 62 HD23 LEU 13 3HD2 LEU 13 6.330 -17.897 8.743 63 H VAL 14 H VAL 14 4.348 -13.008 5.784 64 HA VAL 14 HA VAL 14 6.110 -10.651 5.609 65 HB VAL 14 HB VAL 14 4.182 -11.806 3.612 66 HG11 VAL 14 1HG1 VAL 14 4.981 -8.981 3.997 67 HG12 VAL 14 2HG1 VAL 14 4.983 -9.598 2.344 68 HG13 VAL 14 3HG1 VAL 14 3.507 -9.660 3.308 69 HG21 VAL 14 1HG2 VAL 14 7.106 -11.299 3.769 70 HG22 VAL 14 2HG2 VAL 14 6.231 -12.678 3.103 71 HG23 VAL 14 3HG2 VAL 14 6.325 -11.171 2.192 72 H SER 15 H SER 15 5.369 -8.762 6.353 73 HA SER 15 HA SER 15 2.496 -8.342 6.663 74 HB2 SER 15 1HB SER 15 3.599 -9.318 8.810 75 HB3 SER 15 2HB SER 15 4.289 -7.705 8.990 76 HG SER 15 HG SER 15 1.541 -7.965 8.504 77 H ALA 16 H ALA 16 1.982 -6.072 7.223 78 HA ALA 16 HA ALA 16 4.088 -4.200 6.369 79 HB1 ALA 16 1HB ALA 16 2.945 -3.595 4.569 80 HB2 ALA 16 2HB ALA 16 1.759 -4.853 4.922 81 HB3 ALA 16 3HB ALA 16 1.531 -3.223 5.556 82 H TYR 17 H TYR 17 3.979 -2.109 7.243 83 HA TYR 17 HA TYR 17 1.928 -1.550 9.236 84 HB2 TYR 17 1HB TYR 17 3.635 -0.978 10.950 85 HB3 TYR 17 2HB TYR 17 3.611 -2.692 10.550 86 HD1 TYR 17 1HD TYR 17 5.441 0.476 9.939 87 HD2 TYR 17 2HD TYR 17 5.548 -3.773 9.755 88 HE1 TYR 17 1HE TYR 17 7.851 0.564 9.456 89 HE2 TYR 17 2HE TYR 17 7.958 -3.698 9.273 90 HH TYR 17 HH TYR 17 9.544 -1.040 8.244 91 H GLY 18 H GLY 18 1.591 0.623 9.607 92 HA2 GLY 18 1HA GLY 18 3.108 2.806 9.298 93 HA3 GLY 18 2HA GLY 18 2.754 2.401 7.625 94 HA PRO 19 HA PRO 19 -0.703 4.919 9.737 95 HB2 PRO 19 1HB PRO 19 -0.149 7.354 8.673 96 HB3 PRO 19 2HB PRO 19 0.508 6.811 10.221 97 HG2 PRO 19 1HG PRO 19 1.798 6.834 7.520 98 HG3 PRO 19 2HG PRO 19 2.482 7.293 9.090 99 HD2 PRO 19 1HD PRO 19 2.975 4.896 7.930 100 HD3 PRO 19 2HD PRO 19 2.893 5.106 9.691 101 H GLY 20 H GLY 20 0.627 4.446 6.594 102 HA2 GLY 20 1HA GLY 20 -1.524 5.618 5.108 103 HA3 GLY 20 2HA GLY 20 -0.278 4.553 4.474 104 H LEU 21 H LEU 21 -0.795 2.381 6.289 105 HA LEU 21 HA LEU 21 -2.902 1.110 4.838 106 HB2 LEU 21 1HB LEU 21 -1.599 0.079 7.342 107 HB3 LEU 21 2HB LEU 21 -2.359 -0.849 6.051 108 HG LEU 21 HG LEU 21 0.079 0.783 5.470 109 HD11 LEU 21 1HD1 LEU 21 0.776 -0.441 7.392 110 HD12 LEU 21 2HD1 LEU 21 1.424 -1.263 5.973 111 HD13 LEU 21 3HD1 LEU 21 0.011 -1.917 6.803 112 HD21 LEU 21 1HD2 LEU 21 -1.592 -0.998 4.049 113 HD22 LEU 21 2HD2 LEU 21 -0.031 -1.794 4.255 114 HD23 LEU 21 3HD2 LEU 21 -0.118 -0.204 3.494 115 H GLU 22 H GLU 22 -2.588 2.577 8.005 116 HA GLU 22 HA GLU 22 -5.217 1.664 8.835 117 HB2 GLU 22 1HB GLU 22 -2.960 3.119 10.131 118 HB3 GLU 22 2HB GLU 22 -4.574 3.337 10.793 119 HG2 GLU 22 1HG GLU 22 -4.773 0.900 11.054 120 HG3 GLU 22 2HG GLU 22 -3.125 0.721 10.454 121 H GLY 23 H GLY 23 -3.797 4.371 7.278 122 HA2 GLY 23 1HA GLY 23 -5.230 5.906 6.093 123 HA3 GLY 23 2HA GLY 23 -6.394 5.759 7.402 124 H GLY 24 H GLY 24 -5.672 8.240 6.503 125 HA2 GLY 24 1HA GLY 24 -4.508 9.359 8.914 126 HA3 GLY 24 2HA GLY 24 -3.581 9.635 7.446 127 H THR 25 H THR 25 -3.948 11.527 6.526 128 HA THR 25 HA THR 25 -6.670 12.642 6.624 129 HB THR 25 HB THR 25 -4.090 14.112 7.171 130 HG1 THR 25 1HG THR 25 -4.773 13.965 9.162 131 HG21 THR 25 1HG2 THR 25 -5.355 15.513 5.690 132 HG22 THR 25 2HG2 THR 25 -5.541 16.145 7.326 133 HG23 THR 25 3HG2 THR 25 -6.840 15.207 6.589 134 H THR 26 H THR 26 -7.238 14.022 4.884 135 HA THR 26 HA THR 26 -6.266 13.205 2.371 136 HB THR 26 HB THR 26 -7.575 15.296 1.563 137 HG1 THR 26 1HG THR 26 -9.153 15.866 3.290 138 HG21 THR 26 1HG2 THR 26 -9.679 14.126 1.785 139 HG22 THR 26 2HG2 THR 26 -9.043 13.168 3.123 140 HG23 THR 26 3HG2 THR 26 -8.393 12.954 1.498 141 H GLY 27 H GLY 27 -5.286 14.542 0.705 142 HA2 GLY 27 1HA GLY 27 -3.599 15.885 -0.079 143 HA3 GLY 27 2HA GLY 27 -4.087 17.029 1.162 144 H VAL 28 H VAL 28 -3.202 13.970 2.358 145 HA VAL 28 HA VAL 28 -0.536 15.003 3.081 146 HB VAL 28 HB VAL 28 -2.301 13.185 4.728 147 HG11 VAL 28 1HG1 VAL 28 -0.632 13.295 6.422 148 HG12 VAL 28 2HG1 VAL 28 0.178 12.836 4.923 149 HG13 VAL 28 3HG1 VAL 28 0.295 14.492 5.518 150 HG21 VAL 28 1HG2 VAL 28 -1.703 15.566 6.099 151 HG22 VAL 28 2HG2 VAL 28 -2.223 16.038 4.481 152 HG23 VAL 28 3HG2 VAL 28 -3.269 15.035 5.486 153 H SER 29 H SER 29 1.021 13.914 2.092 154 HA SER 29 HA SER 29 0.750 11.561 0.665 155 HB2 SER 29 1HB SER 29 3.253 11.405 0.822 156 HB3 SER 29 2HB SER 29 2.661 12.983 0.304 157 HG SER 29 HG SER 29 2.783 13.410 2.731 158 H SER 30 H SER 30 -0.024 9.725 1.497 159 HA SER 30 HA SER 30 0.941 8.832 4.121 160 HB2 SER 30 1HB SER 30 -1.360 7.717 2.504 161 HB3 SER 30 2HB SER 30 -0.980 7.369 4.190 162 HG SER 30 HG SER 30 -2.397 8.930 4.465 163 H GLU 31 H GLU 31 2.230 7.108 4.336 164 HA GLU 31 HA GLU 31 2.515 5.248 2.088 165 HB2 GLU 31 1HB GLU 31 4.961 5.286 2.305 166 HB3 GLU 31 2HB GLU 31 4.327 6.859 1.844 167 HG2 GLU 31 1HG GLU 31 4.959 6.154 4.690 168 HG3 GLU 31 2HG GLU 31 6.161 6.822 3.588 169 H PHE 32 H PHE 32 3.967 3.342 2.796 170 HA PHE 32 HA PHE 32 3.935 2.727 5.610 171 HB2 PHE 32 1HB PHE 32 2.544 0.664 5.309 172 HB3 PHE 32 2HB PHE 32 1.645 2.168 5.136 173 HD1 PHE 32 1HD PHE 32 2.967 -0.765 3.402 174 HD2 PHE 32 2HD PHE 32 0.750 2.846 3.002 175 HE1 PHE 32 1HE PHE 32 2.162 -1.508 1.199 176 HE2 PHE 32 2HE PHE 32 -0.059 2.109 0.798 177 HZ PHE 32 HZ PHE 32 0.646 -0.071 -0.105 178 H ILE 33 H ILE 33 5.115 0.827 6.129 179 HA ILE 33 HA ILE 33 6.915 -0.017 3.966 180 HB ILE 33 HB ILE 33 7.257 -0.008 6.959 181 HG12 ILE 33 1HG1 ILE 33 8.788 1.307 4.703 182 HG13 ILE 33 2HG1 ILE 33 7.685 2.114 5.812 183 HG21 ILE 33 1HG2 ILE 33 9.642 -0.846 6.190 184 HG22 ILE 33 2HG2 ILE 33 8.335 -1.975 6.541 185 HG23 ILE 33 3HG2 ILE 33 8.705 -1.547 4.871 186 HD11 ILE 33 1HD1 ILE 33 9.665 2.634 6.788 187 HD12 ILE 33 2HD1 ILE 33 9.335 1.109 7.610 188 HD13 ILE 33 3HD1 ILE 33 10.452 1.152 6.246 189 H VAL 34 H VAL 34 7.171 -2.129 3.423 190 HA VAL 34 HA VAL 34 5.377 -4.052 4.751 191 HB VAL 34 HB VAL 34 6.500 -4.289 1.961 192 HG11 VAL 34 1HG1 VAL 34 4.798 -5.983 1.665 193 HG12 VAL 34 2HG1 VAL 34 5.796 -6.381 3.065 194 HG13 VAL 34 3HG1 VAL 34 4.188 -5.694 3.294 195 HG21 VAL 34 1HG2 VAL 34 4.012 -3.740 1.398 196 HG22 VAL 34 2HG2 VAL 34 4.033 -2.940 2.970 197 HG23 VAL 34 3HG2 VAL 34 5.155 -2.432 1.707 198 H ASN 35 H ASN 35 6.457 -5.313 6.117 199 HA ASN 35 HA ASN 35 9.263 -5.836 5.840 200 HB2 ASN 35 1HB ASN 35 8.708 -5.777 8.071 201 HB3 ASN 35 2HB ASN 35 7.137 -6.530 7.811 202 HD21 ASN 35 1HD2 ASN 35 10.558 -7.085 8.176 203 HD22 ASN 35 2HD2 ASN 35 10.447 -8.771 8.532 204 H THR 36 H THR 36 9.730 -7.034 4.059 205 HA THR 36 HA THR 36 8.385 -9.643 3.795 206 HB THR 36 HB THR 36 9.301 -9.597 1.429 207 HG1 THR 36 1HG THR 36 10.806 -7.992 1.468 208 HG21 THR 36 1HG2 THR 36 6.930 -8.977 2.193 209 HG22 THR 36 2HG2 THR 36 7.440 -8.438 0.593 210 HG23 THR 36 3HG2 THR 36 7.428 -7.305 1.943 211 H LEU 37 H LEU 37 11.019 -8.446 5.160 212 HA LEU 37 HA LEU 37 13.149 -9.948 4.056 213 HB2 LEU 37 1HB LEU 37 12.841 -8.910 6.869 214 HB3 LEU 37 2HB LEU 37 14.346 -9.412 6.102 215 HG LEU 37 HG LEU 37 12.774 -7.188 4.883 216 HD11 LEU 37 1HD1 LEU 37 14.101 -7.138 7.520 217 HD12 LEU 37 2HD1 LEU 37 12.790 -6.144 6.886 218 HD13 LEU 37 3HD1 LEU 37 14.458 -5.797 6.431 219 HD21 LEU 37 1HD2 LEU 37 14.614 -7.759 3.591 220 HD22 LEU 37 2HD2 LEU 37 15.629 -8.084 4.997 221 HD23 LEU 37 3HD2 LEU 37 15.223 -6.422 4.567 222 H ASN 38 H ASN 38 11.022 -10.518 6.847 223 HA ASN 38 HA ASN 38 12.136 -12.892 7.752 224 HB2 ASN 38 1HB ASN 38 9.431 -11.653 7.916 225 HB3 ASN 38 2HB ASN 38 9.584 -13.346 8.373 226 HD21 ASN 38 1HD2 ASN 38 12.102 -10.957 8.776 227 HD22 ASN 38 2HD2 ASN 38 12.069 -10.933 10.503 228 H ALA 39 H ALA 39 10.310 -12.272 4.904 229 HA ALA 39 HA ALA 39 9.370 -14.928 4.457 230 HB1 ALA 39 1HB ALA 39 8.260 -14.003 2.762 231 HB2 ALA 39 2HB ALA 39 8.906 -12.457 3.312 232 HB3 ALA 39 3HB ALA 39 9.737 -13.359 2.045 233 H GLY 40 H GLY 40 11.930 -13.039 2.825 234 HA2 GLY 40 1HA GLY 40 14.130 -14.363 2.822 235 HA3 GLY 40 2HA GLY 40 13.162 -15.593 2.022 236 H SER 41 H SER 41 12.044 -14.875 -0.007 237 HA SER 41 HA SER 41 12.977 -12.599 -1.421 238 HB2 SER 41 1HB SER 41 14.499 -13.544 -2.964 239 HB3 SER 41 2HB SER 41 15.011 -14.167 -1.396 240 HG SER 41 HG SER 41 13.392 -15.955 -2.113 241 H GLY 42 H GLY 42 11.566 -12.137 -2.999 242 HA2 GLY 42 1HA GLY 42 10.376 -13.923 -4.771 243 HA3 GLY 42 2HA GLY 42 9.285 -13.768 -3.403 244 H ALA 43 H ALA 43 8.029 -12.999 -5.442 245 HA ALA 43 HA ALA 43 8.546 -10.190 -6.051 246 HB1 ALA 43 1HB ALA 43 7.190 -10.427 -7.907 247 HB2 ALA 43 2HB ALA 43 7.908 -12.032 -7.764 248 HB3 ALA 43 3HB ALA 43 6.264 -11.747 -7.193 249 H LEU 44 H LEU 44 7.039 -8.543 -5.695 250 HA LEU 44 HA LEU 44 4.884 -9.197 -3.796 251 HB2 LEU 44 1HB LEU 44 6.648 -8.101 -2.593 252 HB3 LEU 44 2HB LEU 44 6.741 -6.825 -3.806 253 HG LEU 44 HG LEU 44 4.339 -6.253 -3.111 254 HD11 LEU 44 1HD1 LEU 44 4.898 -7.314 -0.437 255 HD12 LEU 44 2HD1 LEU 44 4.516 -8.536 -1.650 256 HD13 LEU 44 3HD1 LEU 44 3.381 -7.224 -1.333 257 HD21 LEU 44 1HD2 LEU 44 5.976 -5.659 -0.770 258 HD22 LEU 44 2HD2 LEU 44 5.246 -4.571 -1.951 259 HD23 LEU 44 3HD2 LEU 44 6.795 -5.341 -2.300 260 H SER 45 H SER 45 2.991 -7.931 -3.909 261 HA SER 45 HA SER 45 2.730 -6.256 -6.314 262 HB2 SER 45 1HB SER 45 1.752 -8.427 -6.836 263 HB3 SER 45 2HB SER 45 0.772 -8.364 -5.371 264 HG SER 45 HG SER 45 0.065 -7.517 -7.704 265 H VAL 46 H VAL 46 1.815 -4.337 -5.961 266 HA VAL 46 HA VAL 46 0.236 -3.966 -3.501 267 HB VAL 46 HB VAL 46 2.174 -1.956 -4.653 268 HG11 VAL 46 1HG1 VAL 46 1.491 -1.364 -1.990 269 HG12 VAL 46 2HG1 VAL 46 1.057 -0.464 -3.445 270 HG13 VAL 46 3HG1 VAL 46 -0.020 -1.718 -2.828 271 HG21 VAL 46 1HG2 VAL 46 2.838 -4.199 -3.241 272 HG22 VAL 46 2HG2 VAL 46 3.790 -2.715 -3.298 273 HG23 VAL 46 3HG2 VAL 46 2.670 -2.993 -1.964 274 H THR 47 H THR 47 -1.600 -2.777 -3.675 275 HA THR 47 HA THR 47 -2.113 -1.106 -5.969 276 HB THR 47 HB THR 47 -4.271 -2.369 -6.499 277 HG1 THR 47 1HG THR 47 -4.547 -3.970 -5.114 278 HG21 THR 47 1HG2 THR 47 -3.193 -3.779 -8.115 279 HG22 THR 47 2HG2 THR 47 -1.704 -3.806 -7.170 280 HG23 THR 47 3HG2 THR 47 -2.231 -2.312 -7.944 281 H ILE 48 H ILE 48 -4.044 0.146 -5.760 282 HA ILE 48 HA ILE 48 -5.334 0.020 -3.122 283 HB ILE 48 HB ILE 48 -4.197 2.486 -4.434 284 HG12 ILE 48 1HG1 ILE 48 -3.712 1.163 -1.756 285 HG13 ILE 48 2HG1 ILE 48 -2.593 1.217 -3.113 286 HG21 ILE 48 1HG2 ILE 48 -6.355 3.109 -3.647 287 HG22 ILE 48 2HG2 ILE 48 -6.120 2.240 -2.132 288 HG23 ILE 48 3HG2 ILE 48 -5.181 3.694 -2.468 289 HD11 ILE 48 1HD1 ILE 48 -3.165 3.871 -2.639 290 HD12 ILE 48 2HD1 ILE 48 -3.076 3.160 -1.027 291 HD13 ILE 48 3HD1 ILE 48 -1.715 3.002 -2.137 292 H ASP 49 H ASP 49 -7.433 0.981 -3.020 293 HA ASP 49 HA ASP 49 -8.687 1.793 -5.511 294 HB2 ASP 49 1HB ASP 49 -8.793 -0.817 -5.106 295 HB3 ASP 49 2HB ASP 49 -10.092 -0.371 -4.003 296 H GLY 50 H GLY 50 -9.878 3.520 -5.071 297 HA2 GLY 50 1HA GLY 50 -11.504 3.572 -2.643 298 HA3 GLY 50 2HA GLY 50 -10.308 4.847 -2.829 299 HA PRO 51 HA PRO 51 -14.310 6.237 -4.749 300 HB2 PRO 51 1HB PRO 51 -14.363 8.642 -3.492 301 HB3 PRO 51 2HB PRO 51 -15.043 7.173 -2.783 302 HG2 PRO 51 1HG PRO 51 -12.399 8.477 -2.265 303 HG3 PRO 51 2HG PRO 51 -13.545 7.775 -1.109 304 HD2 PRO 51 1HD PRO 51 -11.330 6.461 -1.944 305 HD3 PRO 51 2HD PRO 51 -12.836 5.621 -1.522 306 H SER 52 H SER 52 -11.065 7.078 -4.776 307 HA SER 52 HA SER 52 -11.350 8.518 -7.251 308 HB2 SER 52 1HB SER 52 -10.419 9.914 -4.747 309 HB3 SER 52 2HB SER 52 -9.921 10.459 -6.349 310 HG SER 52 HG SER 52 -11.736 11.579 -6.001 311 H LYS 53 H LYS 53 -9.607 8.240 -8.531 312 HA LYS 53 HA LYS 53 -7.705 6.308 -7.999 313 HB2 LYS 53 1HB LYS 53 -7.955 8.491 -10.007 314 HB3 LYS 53 2HB LYS 53 -6.389 7.704 -9.856 315 HG2 LYS 53 1HG LYS 53 -7.401 6.462 -11.506 316 HG3 LYS 53 2HG LYS 53 -7.755 5.509 -10.063 317 HD2 LYS 53 1HD LYS 53 -9.925 6.966 -9.991 318 HD3 LYS 53 2HD LYS 53 -9.571 7.227 -11.701 319 HE2 LYS 53 1HE LYS 53 -9.759 4.938 -12.197 320 HE3 LYS 53 2HE LYS 53 -9.652 4.475 -10.499 321 HZ1 LYS 53 1HZ LYS 53 -11.814 5.523 -10.136 322 HZ2 LYS 53 2HZ LYS 53 -11.911 4.287 -11.286 323 HZ3 LYS 53 3HZ LYS 53 -11.919 5.904 -11.781 324 H VAL 54 H VAL 54 -5.863 6.237 -6.882 325 HA VAL 54 HA VAL 54 -4.784 8.771 -5.840 326 HB VAL 54 HB VAL 54 -3.679 7.290 -4.107 327 HG11 VAL 54 1HG1 VAL 54 -6.692 7.398 -4.199 328 HG12 VAL 54 2HG1 VAL 54 -5.727 7.090 -2.754 329 HG13 VAL 54 3HG1 VAL 54 -5.615 8.647 -3.575 330 HG21 VAL 54 1HG2 VAL 54 -4.465 5.244 -5.724 331 HG22 VAL 54 2HG2 VAL 54 -4.012 5.070 -4.029 332 HG23 VAL 54 3HG2 VAL 54 -5.712 5.211 -4.476 333 H GLN 55 H GLN 55 -2.600 9.205 -5.960 334 HA GLN 55 HA GLN 55 -1.147 7.669 -7.973 335 HB2 GLN 55 1HB GLN 55 -1.416 10.271 -7.878 336 HB3 GLN 55 2HB GLN 55 -0.104 10.178 -6.711 337 HG2 GLN 55 1HG GLN 55 1.361 9.212 -8.316 338 HG3 GLN 55 2HG GLN 55 0.046 9.000 -9.472 339 HE21 GLN 55 1HE2 GLN 55 0.105 10.400 -11.061 340 HE22 GLN 55 2HE2 GLN 55 0.651 12.037 -10.967 341 H LEU 56 H LEU 56 -0.159 5.942 -7.103 342 HA LEU 56 HA LEU 56 1.227 6.220 -4.542 343 HB2 LEU 56 1HB LEU 56 1.392 3.808 -4.555 344 HB3 LEU 56 2HB LEU 56 -0.274 4.312 -4.836 345 HG LEU 56 HG LEU 56 1.465 3.646 -7.171 346 HD11 LEU 56 1HD1 LEU 56 0.496 1.286 -6.923 347 HD12 LEU 56 2HD1 LEU 56 0.269 1.705 -5.225 348 HD13 LEU 56 3HD1 LEU 56 1.886 1.720 -5.928 349 HD21 LEU 56 1HD2 LEU 56 -1.082 2.613 -7.483 350 HD22 LEU 56 2HD2 LEU 56 -0.477 4.130 -8.150 351 HD23 LEU 56 3HD2 LEU 56 -1.341 4.125 -6.612 352 H ASP 57 H ASP 57 3.411 5.492 -4.291 353 HA ASP 57 HA ASP 57 4.982 5.384 -6.771 354 HB2 ASP 57 1HB ASP 57 4.961 7.694 -5.623 355 HB3 ASP 57 2HB ASP 57 5.946 6.932 -4.377 356 H CYS 58 H CYS 58 5.821 3.401 -6.747 357 HA CYS 58 HA CYS 58 6.429 2.018 -4.305 358 HB2 CYS 58 1HB CYS 58 5.604 0.748 -6.193 359 HB3 CYS 58 2HB CYS 58 6.933 1.309 -7.201 360 HG CYS 58 HG CYS 58 8.801 -0.317 -6.303 361 H ARG 59 H ARG 59 8.312 1.912 -3.258 362 HA ARG 59 HA ARG 59 10.759 2.749 -4.651 363 HB2 ARG 59 1HB ARG 59 9.619 3.839 -2.106 364 HB3 ARG 59 2HB ARG 59 11.364 3.775 -2.312 365 HG2 ARG 59 1HG ARG 59 10.891 4.986 -4.555 366 HG3 ARG 59 2HG ARG 59 9.343 5.383 -3.806 367 HD2 ARG 59 1HD ARG 59 10.313 6.697 -2.183 368 HD3 ARG 59 2HD ARG 59 11.860 5.858 -2.281 369 HE ARG 59 HE ARG 59 12.497 7.279 -3.971 370 HH11 ARG 59 1HH1 ARG 59 9.085 7.624 -3.372 371 HH12 ARG 59 2HH1 ARG 59 8.919 9.030 -4.370 372 HH21 ARG 59 1HH2 ARG 59 12.291 9.130 -5.288 373 HH22 ARG 59 2HH2 ARG 59 10.743 9.886 -5.460 374 H GLU 60 H GLU 60 12.708 2.308 -3.062 375 HA GLU 60 HA GLU 60 12.342 -0.437 -2.061 376 HB2 GLU 60 1HB GLU 60 14.737 0.940 -3.270 377 HB3 GLU 60 2HB GLU 60 14.863 -0.583 -2.402 378 HG2 GLU 60 1HG GLU 60 13.054 -1.407 -4.045 379 HG3 GLU 60 2HG GLU 60 13.519 -0.005 -5.007 380 H CYS 61 H CYS 61 12.620 -0.806 0.038 381 HA CYS 61 HA CYS 61 14.093 1.191 1.627 382 HB2 CYS 61 1HB CYS 61 12.523 1.017 3.392 383 HB3 CYS 61 2HB CYS 61 11.563 1.179 1.926 384 HG CYS 61 HG CYS 61 10.466 -1.218 1.929 385 HA PRO 62 HA PRO 62 16.599 -2.080 3.140 386 HB2 PRO 62 1HB PRO 62 17.188 -1.162 5.626 387 HB3 PRO 62 2HB PRO 62 17.875 -0.462 4.156 388 HG2 PRO 62 1HG PRO 62 15.575 0.497 5.815 389 HG3 PRO 62 2HG PRO 62 16.895 1.430 5.087 390 HD2 PRO 62 1HD PRO 62 14.427 1.292 3.982 391 HD3 PRO 62 2HD PRO 62 15.902 1.451 3.007 392 H GLU 63 H GLU 63 13.520 -1.541 4.253 393 HA GLU 63 HA GLU 63 13.665 -3.780 6.163 394 HB2 GLU 63 1HB GLU 63 11.593 -1.585 5.976 395 HB3 GLU 63 2HB GLU 63 11.584 -2.903 7.140 396 HG2 GLU 63 1HG GLU 63 13.907 -1.028 6.961 397 HG3 GLU 63 2HG GLU 63 12.460 -0.604 7.875 398 H GLY 64 H GLY 64 12.844 -3.066 3.061 399 HA2 GLY 64 1HA GLY 64 11.928 -5.300 2.080 400 HA3 GLY 64 2HA GLY 64 10.501 -4.833 2.994 401 H HIS 65 H HIS 65 9.007 -3.720 1.934 402 HA HIS 65 HA HIS 65 9.841 -2.131 -0.402 403 HB2 HIS 65 1HB HIS 65 7.529 -4.042 -0.131 404 HB3 HIS 65 2HB HIS 65 7.530 -2.762 -1.341 405 HD1 HIS 65 1HD HIS 65 8.880 -3.148 -3.437 406 HD2 HIS 65 2HD HIS 65 9.556 -6.034 -0.526 407 HE1 HIS 65 1HE HIS 65 10.242 -4.936 -4.566 408 HE2 HIS 65 2HE HIS 65 10.566 -6.711 -2.809 409 H VAL 66 H VAL 66 8.972 -0.130 -0.598 410 HA VAL 66 HA VAL 66 6.907 0.653 1.353 411 HB VAL 66 HB VAL 66 9.281 1.473 1.866 412 HG11 VAL 66 1HG1 VAL 66 9.476 2.130 -0.680 413 HG12 VAL 66 2HG1 VAL 66 8.772 3.643 -0.105 414 HG13 VAL 66 3HG1 VAL 66 10.294 3.064 0.572 415 HG21 VAL 66 1HG2 VAL 66 6.740 2.682 2.130 416 HG22 VAL 66 2HG2 VAL 66 8.160 2.893 3.154 417 HG23 VAL 66 3HG2 VAL 66 7.899 3.964 1.778 418 H VAL 67 H VAL 67 5.279 1.925 0.616 419 HA VAL 67 HA VAL 67 5.474 2.986 -2.118 420 HB VAL 67 HB VAL 67 3.106 1.454 -1.032 421 HG11 VAL 67 1HG1 VAL 67 2.656 1.743 -3.686 422 HG12 VAL 67 2HG1 VAL 67 1.993 2.808 -2.444 423 HG13 VAL 67 3HG1 VAL 67 3.455 3.271 -3.317 424 HG21 VAL 67 1HG2 VAL 67 4.543 0.612 -3.481 425 HG22 VAL 67 2HG2 VAL 67 5.347 0.322 -1.938 426 HG23 VAL 67 3HG2 VAL 67 3.748 -0.359 -2.241 427 H THR 68 H THR 68 5.025 5.079 -2.143 428 HA THR 68 HA THR 68 3.427 6.212 0.047 429 HB THR 68 HB THR 68 5.111 7.801 -1.880 430 HG1 THR 68 1HG THR 68 6.796 7.618 -0.366 431 HG21 THR 68 1HG2 THR 68 4.315 9.519 -0.707 432 HG22 THR 68 2HG2 THR 68 5.071 8.856 0.742 433 HG23 THR 68 3HG2 THR 68 3.412 8.420 0.334 434 H TYR 69 H TYR 69 1.551 7.258 -0.326 435 HA TYR 69 HA TYR 69 0.812 7.916 -3.083 436 HB2 TYR 69 1HB TYR 69 -1.295 6.813 -2.960 437 HB3 TYR 69 2HB TYR 69 -0.089 5.639 -2.446 438 HD1 TYR 69 1HD TYR 69 -2.737 7.925 -1.252 439 HD2 TYR 69 2HD TYR 69 -0.141 4.703 -0.263 440 HE1 TYR 69 1HE TYR 69 -3.990 7.564 0.834 441 HE2 TYR 69 2HE TYR 69 -1.387 4.332 1.825 442 HH TYR 69 HH TYR 69 -3.061 4.999 3.113 443 H THR 70 H THR 70 -1.044 9.372 -3.219 444 HA THR 70 HA THR 70 -1.395 10.976 -0.770 445 HB THR 70 HB THR 70 -1.151 11.995 -3.607 446 HG1 THR 70 1HG THR 70 0.828 12.596 -3.031 447 HG21 THR 70 1HG2 THR 70 -2.075 13.930 -2.979 448 HG22 THR 70 2HG2 THR 70 -1.115 13.986 -1.500 449 HG23 THR 70 3HG2 THR 70 -2.636 13.094 -1.532 450 HA PRO 71 HA PRO 71 -5.676 10.000 -1.529 451 HB2 PRO 71 1HB PRO 71 -6.656 11.396 0.583 452 HB3 PRO 71 2HB PRO 71 -5.878 9.818 0.752 453 HG2 PRO 71 1HG PRO 71 -4.739 12.549 1.203 454 HG3 PRO 71 2HG PRO 71 -4.546 11.082 2.179 455 HD2 PRO 71 1HD PRO 71 -2.651 11.937 0.444 456 HD3 PRO 71 2HD PRO 71 -2.926 10.217 0.786 457 H MET 72 H MET 72 -7.513 11.071 -2.292 458 HA MET 72 HA MET 72 -7.233 13.964 -2.749 459 HB2 MET 72 1HB MET 72 -7.926 11.806 -4.723 460 HB3 MET 72 2HB MET 72 -8.466 13.462 -4.969 461 HG2 MET 72 1HG MET 72 -5.918 13.988 -4.559 462 HG3 MET 72 2HG MET 72 -5.732 12.317 -5.085 463 HE1 MET 72 1HE MET 72 -7.270 11.465 -6.990 464 HE2 MET 72 2HE MET 72 -8.530 12.610 -7.449 465 HE3 MET 72 3HE MET 72 -7.222 12.240 -8.573 466 H ALA 73 H ALA 73 -9.000 11.581 -1.347 467 HA ALA 73 HA ALA 73 -11.221 13.299 -0.841 468 HB1 ALA 73 1HB ALA 73 -11.481 11.173 -2.888 469 HB2 ALA 73 2HB ALA 73 -12.815 11.372 -1.752 470 HB3 ALA 73 3HB ALA 73 -12.301 12.729 -2.755 471 HA PRO 74 HA PRO 74 -11.238 10.810 2.790 472 HB2 PRO 74 1HB PRO 74 -13.695 11.457 3.747 473 HB3 PRO 74 2HB PRO 74 -12.319 12.564 3.806 474 HG2 PRO 74 1HG PRO 74 -14.589 12.466 1.858 475 HG3 PRO 74 2HG PRO 74 -13.843 13.874 2.636 476 HD2 PRO 74 1HD PRO 74 -13.266 13.139 0.095 477 HD3 PRO 74 2HD PRO 74 -12.074 13.911 1.160 478 H GLY 75 H GLY 75 -11.377 8.655 2.598 479 HA2 GLY 75 1HA GLY 75 -13.880 7.330 2.647 480 HA3 GLY 75 2HA GLY 75 -13.188 7.230 1.035 481 H ASN 76 H ASN 76 -13.404 4.874 1.758 482 HA ASN 76 HA ASN 76 -11.086 4.038 3.353 483 HB2 ASN 76 1HB ASN 76 -12.239 1.785 3.320 484 HB3 ASN 76 2HB ASN 76 -13.104 3.062 4.170 485 HD21 ASN 76 1HD2 ASN 76 -15.015 3.839 3.344 486 HD22 ASN 76 2HD2 ASN 76 -15.861 3.063 2.053 487 H TYR 77 H TYR 77 -9.347 3.895 2.061 488 HA TYR 77 HA TYR 77 -9.583 2.873 -0.644 489 HB2 TYR 77 1HB TYR 77 -7.223 3.900 0.939 490 HB3 TYR 77 2HB TYR 77 -7.113 3.327 -0.721 491 HD1 TYR 77 1HD TYR 77 -8.352 6.000 1.463 492 HD2 TYR 77 2HD TYR 77 -7.991 4.642 -2.553 493 HE1 TYR 77 1HE TYR 77 -8.949 8.246 0.656 494 HE2 TYR 77 2HE TYR 77 -8.586 6.884 -3.371 495 HH TYR 77 HH TYR 77 -8.904 9.032 -2.789 496 H LEU 78 H LEU 78 -9.607 0.760 -0.991 497 HA LEU 78 HA LEU 78 -8.681 -1.136 0.935 498 HB2 LEU 78 1HB LEU 78 -10.567 -1.328 -0.849 499 HB3 LEU 78 2HB LEU 78 -9.256 -1.829 -1.916 500 HG LEU 78 HG LEU 78 -10.243 -3.815 -1.131 501 HD11 LEU 78 1HD1 LEU 78 -7.903 -3.393 0.713 502 HD12 LEU 78 2HD1 LEU 78 -7.739 -3.675 -1.020 503 HD13 LEU 78 3HD1 LEU 78 -8.470 -4.907 0.009 504 HD21 LEU 78 1HD2 LEU 78 -10.545 -4.263 1.301 505 HD22 LEU 78 2HD2 LEU 78 -11.575 -2.976 0.673 506 HD23 LEU 78 3HD2 LEU 78 -10.137 -2.576 1.615 507 H ILE 79 H ILE 79 -6.607 -1.557 1.271 508 HA ILE 79 HA ILE 79 -4.708 -1.296 -0.946 509 HB ILE 79 HB ILE 79 -4.168 -1.596 2.011 510 HG12 ILE 79 1HG1 ILE 79 -3.657 0.877 0.389 511 HG13 ILE 79 2HG1 ILE 79 -5.259 0.573 1.052 512 HG21 ILE 79 1HG2 ILE 79 -2.437 -2.428 0.305 513 HG22 ILE 79 2HG2 ILE 79 -2.194 -0.722 -0.067 514 HG23 ILE 79 3HG2 ILE 79 -1.896 -1.319 1.565 515 HD11 ILE 79 1HD1 ILE 79 -3.984 2.013 2.514 516 HD12 ILE 79 2HD1 ILE 79 -4.290 0.463 3.298 517 HD13 ILE 79 3HD1 ILE 79 -2.700 0.808 2.617 518 H ALA 80 H ALA 80 -4.648 -3.152 -2.078 519 HA ALA 80 HA ALA 80 -4.678 -5.715 -0.688 520 HB1 ALA 80 1HB ALA 80 -4.309 -5.831 -3.567 521 HB2 ALA 80 2HB ALA 80 -5.562 -6.552 -2.556 522 HB3 ALA 80 3HB ALA 80 -5.721 -4.882 -3.101 523 H ILE 81 H ILE 81 -2.844 -6.612 -0.042 524 HA ILE 81 HA ILE 81 -0.406 -6.131 -1.627 525 HB ILE 81 HB ILE 81 -0.574 -6.483 1.368 526 HG12 ILE 81 1HG1 ILE 81 0.395 -4.040 -0.098 527 HG13 ILE 81 2HG1 ILE 81 -1.309 -4.253 0.290 528 HG21 ILE 81 1HG2 ILE 81 1.939 -5.538 0.711 529 HG22 ILE 81 2HG2 ILE 81 1.531 -7.186 1.182 530 HG23 ILE 81 3HG2 ILE 81 1.606 -6.751 -0.525 531 HD11 ILE 81 1HD1 ILE 81 0.125 -4.763 2.652 532 HD12 ILE 81 2HD1 ILE 81 0.808 -3.301 1.939 533 HD13 ILE 81 3HD1 ILE 81 -0.919 -3.391 2.283 534 H LYS 82 H LYS 82 0.327 -7.914 -2.552 535 HA LYS 82 HA LYS 82 -0.125 -10.494 -1.200 536 HB2 LYS 82 1HB LYS 82 -0.052 -9.927 -4.169 537 HB3 LYS 82 2HB LYS 82 -0.179 -11.528 -3.452 538 HG2 LYS 82 1HG LYS 82 -2.277 -10.537 -2.275 539 HG3 LYS 82 2HG LYS 82 -2.203 -9.341 -3.571 540 HD2 LYS 82 1HD LYS 82 -2.008 -11.427 -5.117 541 HD3 LYS 82 2HD LYS 82 -2.685 -12.289 -3.734 542 HE2 LYS 82 1HE LYS 82 -4.674 -11.050 -3.795 543 HE3 LYS 82 2HE LYS 82 -3.965 -9.799 -4.815 544 HZ1 LYS 82 1HZ LYS 82 -4.175 -12.552 -5.828 545 HZ2 LYS 82 2HZ LYS 82 -4.148 -11.095 -6.686 546 HZ3 LYS 82 3HZ LYS 82 -5.541 -11.554 -5.844 547 H TYR 83 H TYR 83 1.477 -12.183 -1.774 548 HA TYR 83 HA TYR 83 4.020 -11.346 -2.826 549 HB2 TYR 83 1HB TYR 83 4.093 -10.473 -0.496 550 HB3 TYR 83 2HB TYR 83 3.857 -12.114 0.096 551 HD1 TYR 83 2HD TYR 83 6.158 -10.080 -2.017 552 HD2 TYR 83 1HD TYR 83 5.705 -13.460 0.527 553 HE1 TYR 83 2HE TYR 83 8.590 -10.444 -2.077 554 HE2 TYR 83 1HE TYR 83 8.135 -13.833 0.475 555 HH TYR 83 HH TYR 83 10.202 -12.441 0.062 556 H GLY 84 H GLY 84 5.145 -13.044 -3.617 557 HA2 GLY 84 1HA GLY 84 5.289 -15.199 -4.473 558 HA3 GLY 84 2HA GLY 84 5.506 -15.562 -2.767 559 H GLY 85 H GLY 85 2.705 -14.651 -4.785 560 HA2 GLY 85 1HA GLY 85 1.342 -16.906 -5.125 561 HA3 GLY 85 2HA GLY 85 1.108 -16.661 -3.401 562 HA PRO 86 HA PRO 86 -1.767 -13.994 -6.209 563 HB2 PRO 86 1HB PRO 86 -3.827 -15.704 -6.658 564 HB3 PRO 86 2HB PRO 86 -2.460 -15.536 -7.765 565 HG2 PRO 86 1HG PRO 86 -2.958 -17.618 -5.674 566 HG3 PRO 86 2HG PRO 86 -2.348 -17.817 -7.327 567 HD2 PRO 86 1HD PRO 86 -0.720 -17.816 -5.163 568 HD3 PRO 86 2HD PRO 86 -0.206 -17.195 -6.745 569 H GLN 87 H GLN 87 -1.868 -15.896 -3.410 570 HA GLN 87 HA GLN 87 -4.445 -14.906 -2.501 571 HB2 GLN 87 1HB GLN 87 -4.127 -16.306 -0.573 572 HB3 GLN 87 2HB GLN 87 -3.692 -17.231 -2.004 573 HG2 GLN 87 1HG GLN 87 -1.483 -17.305 -1.462 574 HG3 GLN 87 2HG GLN 87 -1.533 -15.779 -0.582 575 HE21 GLN 87 1HE2 GLN 87 -2.247 -19.195 -0.438 576 HE22 GLN 87 2HE2 GLN 87 -2.322 -19.306 1.285 577 H HIS 88 H HIS 88 -4.728 -13.605 -0.650 578 HA HIS 88 HA HIS 88 -2.890 -11.466 -0.419 579 HB2 HIS 88 1HB HIS 88 -5.323 -12.259 1.176 580 HB3 HIS 88 2HB HIS 88 -4.371 -10.829 1.567 581 HD1 HIS 88 1HD HIS 88 -5.235 -8.764 0.538 582 HD2 HIS 88 2HD HIS 88 -6.183 -12.117 -1.724 583 HE1 HIS 88 1HE HIS 88 -6.608 -7.910 -1.388 584 HE2 HIS 88 2HE HIS 88 -7.241 -9.967 -2.696 585 H ILE 89 H ILE 89 -1.677 -10.798 1.420 586 HA ILE 89 HA ILE 89 -0.412 -13.019 2.780 587 HB ILE 89 HB ILE 89 1.172 -11.369 3.631 588 HG12 ILE 89 1HG1 ILE 89 -0.143 -9.200 2.048 589 HG13 ILE 89 2HG1 ILE 89 -0.764 -9.571 3.653 590 HG21 ILE 89 1HG2 ILE 89 2.082 -11.940 1.662 591 HG22 ILE 89 2HG2 ILE 89 0.570 -11.712 0.786 592 HG23 ILE 89 3HG2 ILE 89 1.595 -10.324 1.152 593 HD11 ILE 89 1HD1 ILE 89 0.741 -7.915 4.120 594 HD12 ILE 89 2HD1 ILE 89 1.743 -9.350 4.346 595 HD13 ILE 89 3HD1 ILE 89 1.858 -8.420 2.852 596 H VAL 90 H VAL 90 -0.017 -12.989 5.105 597 HA VAL 90 HA VAL 90 -2.295 -12.933 6.641 598 HB VAL 90 HB VAL 90 -0.416 -14.090 7.500 599 HG11 VAL 90 1HG1 VAL 90 1.105 -12.121 6.425 600 HG12 VAL 90 2HG1 VAL 90 1.244 -11.753 8.145 601 HG13 VAL 90 3HG1 VAL 90 1.706 -13.345 7.543 602 HG21 VAL 90 1HG2 VAL 90 -1.863 -13.119 9.205 603 HG22 VAL 90 2HG2 VAL 90 -0.193 -13.188 9.766 604 HG23 VAL 90 3HG2 VAL 90 -0.878 -11.656 9.223 605 H GLY 91 H GLY 91 -3.564 -11.359 7.360 606 HA2 GLY 91 1HA GLY 91 -3.843 -9.359 8.678 607 HA3 GLY 91 2HA GLY 91 -2.352 -8.745 7.979 608 H SER 92 H SER 92 -3.029 -9.510 5.263 609 HA SER 92 HA SER 92 -4.603 -7.191 4.595 610 HB2 SER 92 1HB SER 92 -2.934 -9.154 3.108 611 HB3 SER 92 2HB SER 92 -4.203 -8.331 2.201 612 HG SER 92 HG SER 92 -1.882 -7.380 2.626 613 HA PRO 93 HA PRO 93 -5.470 -6.803 2.294 614 HB2 PRO 93 1HB PRO 93 -7.827 -5.483 2.025 615 HB3 PRO 93 2HB PRO 93 -7.326 -6.785 0.940 616 HG2 PRO 93 1HG PRO 93 -9.194 -6.880 3.277 617 HG3 PRO 93 2HG PRO 93 -9.360 -7.634 1.681 618 HD2 PRO 93 1HD PRO 93 -8.545 -9.011 3.866 619 HD3 PRO 93 2HD PRO 93 -7.973 -9.392 2.229 620 H PHE 94 H PHE 94 -5.613 -4.423 2.729 621 HA PHE 94 HA PHE 94 -6.073 -3.914 5.595 622 HB2 PHE 94 1HB PHE 94 -3.879 -2.898 3.787 623 HB3 PHE 94 2HB PHE 94 -4.229 -2.188 5.360 624 HD1 PHE 94 2HD PHE 94 -4.032 -3.637 7.410 625 HD2 PHE 94 1HD PHE 94 -2.571 -4.829 3.593 626 HE1 PHE 94 2HE PHE 94 -2.595 -5.317 8.488 627 HE2 PHE 94 1HE PHE 94 -1.132 -6.512 4.666 628 HZ PHE 94 HZ PHE 94 -1.142 -6.757 7.116 629 H LYS 95 H LYS 95 -7.678 -2.544 5.937 630 HA LYS 95 HA LYS 95 -8.626 -0.821 3.807 631 HB2 LYS 95 1HB LYS 95 -10.037 -2.191 5.530 632 HB3 LYS 95 2HB LYS 95 -9.743 -0.819 6.590 633 HG2 LYS 95 1HG LYS 95 -11.021 0.608 5.329 634 HG3 LYS 95 2HG LYS 95 -10.796 -0.326 3.848 635 HD2 LYS 95 1HD LYS 95 -12.287 -1.523 6.146 636 HD3 LYS 95 2HD LYS 95 -13.095 -0.367 5.084 637 HE2 LYS 95 1HE LYS 95 -12.231 -1.844 3.166 638 HE3 LYS 95 2HE LYS 95 -11.940 -3.054 4.414 639 HZ1 LYS 95 1HZ LYS 95 -14.050 -3.585 3.769 640 HZ2 LYS 95 2HZ LYS 95 -14.485 -1.989 3.419 641 HZ3 LYS 95 3HZ LYS 95 -14.401 -2.509 5.027 642 H ALA 96 H ALA 96 -8.135 1.260 3.580 643 HA ALA 96 HA ALA 96 -6.831 2.635 5.838 644 HB1 ALA 96 1HB ALA 96 -5.799 2.188 3.346 645 HB2 ALA 96 2HB ALA 96 -6.449 3.821 3.195 646 HB3 ALA 96 3HB ALA 96 -5.273 3.454 4.457 647 H LYS 97 H LYS 97 -8.270 3.906 6.817 648 HA LYS 97 HA LYS 97 -10.293 5.297 5.219 649 HB2 LYS 97 1HB LYS 97 -11.053 4.014 7.185 650 HB3 LYS 97 2HB LYS 97 -10.045 5.016 8.220 651 HG2 LYS 97 1HG LYS 97 -11.373 6.994 7.398 652 HG3 LYS 97 2HG LYS 97 -12.480 5.833 6.662 653 HD2 LYS 97 1HD LYS 97 -12.489 4.782 9.062 654 HD3 LYS 97 2HD LYS 97 -11.950 6.391 9.547 655 HE2 LYS 97 1HE LYS 97 -13.943 7.226 8.127 656 HE3 LYS 97 2HE LYS 97 -14.526 5.567 8.258 657 HZ1 LYS 97 1HZ LYS 97 -13.705 6.957 10.704 658 HZ2 LYS 97 2HZ LYS 97 -14.892 5.772 10.486 659 HZ3 LYS 97 3HZ LYS 97 -15.193 7.367 10.010 660 H VAL 98 H VAL 98 -9.750 7.247 4.509 661 HA VAL 98 HA VAL 98 -7.869 8.877 6.053 662 HB VAL 98 HB VAL 98 -8.926 9.287 3.252 663 HG11 VAL 98 1HG1 VAL 98 -6.576 10.673 4.507 664 HG12 VAL 98 2HG1 VAL 98 -7.445 11.093 3.029 665 HG13 VAL 98 3HG1 VAL 98 -8.210 11.332 4.601 666 HG21 VAL 98 1HG2 VAL 98 -6.291 8.214 4.252 667 HG22 VAL 98 2HG2 VAL 98 -7.520 7.333 3.343 668 HG23 VAL 98 3HG2 VAL 98 -6.626 8.646 2.575 669 H THR 99 H THR 99 -8.345 10.928 6.779 670 HA THR 99 HA THR 99 -11.200 11.658 6.734 671 HB THR 99 HB THR 99 -10.932 12.708 8.881 672 HG1 THR 99 1HG THR 99 -8.187 12.201 8.422 673 HG21 THR 99 1HG2 THR 99 -11.236 10.207 8.762 674 HG22 THR 99 2HG2 THR 99 -10.539 10.810 10.266 675 HG23 THR 99 3HG2 THR 99 -9.503 10.060 9.053 676 H GLY 100 H GLY 100 -11.744 13.896 6.629 677 HA2 GLY 100 1HA GLY 100 -10.852 16.214 6.509 678 HA3 GLY 100 2HA GLY 100 -9.596 15.562 5.467 679 HA PRO 101 HA PRO 101 -13.343 17.125 3.023 680 HB2 PRO 101 1HB PRO 101 -12.156 19.294 1.902 681 HB3 PRO 101 2HB PRO 101 -13.022 19.361 3.442 682 HG2 PRO 101 1HG PRO 101 -10.078 19.168 2.930 683 HG3 PRO 101 2HG PRO 101 -10.946 20.170 4.108 684 HD2 PRO 101 1HD PRO 101 -9.717 17.855 4.789 685 HD3 PRO 101 2HD PRO 101 -11.189 18.429 5.598 686 H ARG 102 H ARG 102 -13.496 17.189 0.689 687 HA ARG 102 HA ARG 102 -11.777 15.321 -0.573 688 HB2 ARG 102 1HB ARG 102 -14.284 16.004 -1.051 689 HB3 ARG 102 2HB ARG 102 -13.533 17.137 -2.167 690 HG2 ARG 102 1HG ARG 102 -12.250 15.005 -2.985 691 HG3 ARG 102 2HG ARG 102 -13.618 14.165 -2.251 692 HD2 ARG 102 1HD ARG 102 -15.169 15.292 -3.659 693 HD3 ARG 102 2HD ARG 102 -13.930 16.407 -4.234 694 HE ARG 102 HE ARG 102 -13.079 13.858 -4.902 695 HH11 ARG 102 1HH1 ARG 102 -15.760 15.953 -5.639 696 HH12 ARG 102 2HH1 ARG 102 -16.010 15.294 -7.222 697 HH21 ARG 102 1HH2 ARG 102 -13.398 12.981 -6.984 698 HH22 ARG 102 2HH2 ARG 102 -14.666 13.602 -7.985 699 H LEU 103 H LEU 103 -9.675 16.122 -0.511 700 HA LEU 103 HA LEU 103 -9.118 18.650 -1.860 701 HB2 LEU 103 1HB LEU 103 -7.489 16.776 -0.180 702 HB3 LEU 103 2HB LEU 103 -6.722 18.033 -1.149 703 HG LEU 103 HG LEU 103 -8.874 18.774 0.787 704 HD11 LEU 103 1HD1 LEU 103 -6.949 19.173 2.422 705 HD12 LEU 103 2HD1 LEU 103 -6.050 18.010 1.448 706 HD13 LEU 103 3HD1 LEU 103 -7.546 17.523 2.244 707 HD21 LEU 103 1HD2 LEU 103 -6.378 20.309 0.281 708 HD22 LEU 103 2HD2 LEU 103 -8.011 20.883 0.617 709 HD23 LEU 103 3HD2 LEU 103 -7.607 20.262 -0.984 710 H SER 104 H SER 104 -9.606 18.023 -3.999 711 HA SER 104 HA SER 104 -7.561 16.284 -5.212 712 HB2 SER 104 1HB SER 104 -9.226 15.505 -6.833 713 HB3 SER 104 2HB SER 104 -9.751 15.144 -5.189 714 HG SER 104 HG SER 104 -10.675 17.174 -6.926 715 H GLY 105 H GLY 105 -6.259 17.475 -6.431 716 HA2 GLY 105 1HA GLY 105 -5.833 18.744 -8.389 717 HA3 GLY 105 2HA GLY 105 -7.442 19.438 -8.257 718 H SER 106 H SER 106 -4.147 19.574 -7.093 719 HA SER 106 HA SER 106 -4.644 21.835 -5.371 720 HB2 SER 106 1HB SER 106 -2.853 20.059 -4.997 721 HB3 SER 106 2HB SER 106 -1.947 20.838 -6.294 722 HG SER 106 HG SER 106 -1.724 21.494 -3.886 723 H GLY 107 H GLY 107 -4.635 23.908 -5.945 724 HA2 GLY 107 1HA GLY 107 -2.900 25.178 -7.680 725 HA3 GLY 107 2HA GLY 107 -4.267 24.678 -8.664 726 HA PRO 108 HA PRO 108 -6.288 28.413 -7.549 727 HB2 PRO 108 1HB PRO 108 -8.865 27.683 -7.993 728 HB3 PRO 108 2HB PRO 108 -7.716 27.995 -9.299 729 HG2 PRO 108 1HG PRO 108 -8.593 25.382 -8.132 730 HG3 PRO 108 2HG PRO 108 -8.356 25.824 -9.833 731 HD2 PRO 108 1HD PRO 108 -6.521 24.416 -8.425 732 HD3 PRO 108 2HD PRO 108 -6.071 25.546 -9.718 733 H SER 109 H SER 109 -7.728 29.342 -5.990 734 HA SER 109 HA SER 109 -7.806 27.829 -3.521 735 HB2 SER 109 1HB SER 109 -8.279 30.700 -4.261 736 HB3 SER 109 2HB SER 109 -8.821 30.092 -2.697 737 HG SER 109 HG SER 109 -6.197 30.260 -3.720 738 H SER 110 H SER 110 -9.703 27.577 -2.230 739 HA SER 110 HA SER 110 -12.248 27.795 -3.679 740 HB2 SER 110 1HB SER 110 -11.172 25.337 -2.289 741 HB3 SER 110 2HB SER 110 -12.874 25.539 -2.706 742 HG SER 110 HG SER 110 -12.252 24.710 -4.540 743 H GLY 111 H GLY 111 -14.144 27.427 -2.172 744 HA2 GLY 111 1HA GLY 111 -14.933 27.442 0.129 745 HA3 GLY 111 2HA GLY 111 -13.512 28.388 0.547 Start of MODEL 4 1 H1 GLY 1 H GLY 1 6.473 -19.247 -16.704 2 HA2 GLY 1 1HA GLY 1 5.072 -20.732 -17.845 3 HA3 GLY 1 2HA GLY 1 5.829 -21.816 -16.687 4 H SER 2 H SER 2 3.880 -23.094 -16.886 5 HA SER 2 HA SER 2 1.403 -21.991 -15.896 6 HB2 SER 2 1HB SER 2 2.225 -24.773 -16.741 7 HB3 SER 2 2HB SER 2 0.617 -24.394 -16.124 8 HG SER 2 HG SER 2 1.867 -23.334 -18.440 9 H SER 3 H SER 3 0.205 -23.150 -14.135 10 HA SER 3 HA SER 3 1.734 -23.081 -11.749 11 HB2 SER 3 1HB SER 3 -1.102 -23.921 -12.347 12 HB3 SER 3 2HB SER 3 -0.426 -23.983 -10.719 13 HG SER 3 HG SER 3 -0.852 -21.728 -12.367 14 H GLY 4 H GLY 4 1.716 -24.881 -10.125 15 HA2 GLY 4 1HA GLY 4 1.367 -27.570 -10.807 16 HA3 GLY 4 2HA GLY 4 3.030 -27.143 -11.183 17 H SER 5 H SER 5 4.484 -27.319 -9.607 18 HA SER 5 HA SER 5 3.614 -28.111 -6.976 19 HB2 SER 5 1HB SER 5 6.431 -27.626 -7.970 20 HB3 SER 5 2HB SER 5 5.962 -28.518 -6.522 21 HG SER 5 HG SER 5 6.445 -29.685 -8.634 22 H SER 6 H SER 6 4.673 -27.131 -5.023 23 HA SER 6 HA SER 6 4.093 -24.334 -4.961 24 HB2 SER 6 1HB SER 6 5.125 -26.293 -2.916 25 HB3 SER 6 2HB SER 6 4.980 -24.572 -2.558 26 HG SER 6 HG SER 6 3.033 -25.248 -2.000 27 H GLY 7 H GLY 7 5.421 -22.709 -5.402 28 HA2 GLY 7 1HA GLY 7 8.280 -23.259 -5.691 29 HA3 GLY 7 2HA GLY 7 7.430 -21.844 -6.295 30 H ALA 8 H ALA 8 9.448 -20.877 -5.299 31 HA ALA 8 HA ALA 8 9.623 -20.740 -2.450 32 HB1 ALA 8 1HB ALA 8 11.077 -18.615 -3.287 33 HB2 ALA 8 2HB ALA 8 11.682 -20.271 -3.221 34 HB3 ALA 8 3HB ALA 8 11.077 -19.613 -4.741 35 H GLY 9 H GLY 9 8.648 -19.387 -1.072 36 HA2 GLY 9 1HA GLY 9 8.017 -16.787 -1.217 37 HA3 GLY 9 2HA GLY 9 6.699 -17.509 -2.128 38 H ASP 10 H ASP 10 7.496 -16.363 0.812 39 HA ASP 10 HA ASP 10 5.534 -18.105 2.151 40 HB2 ASP 10 1HB ASP 10 7.784 -16.765 3.633 41 HB3 ASP 10 2HB ASP 10 6.771 -18.109 4.153 42 HA PRO 11 HA PRO 11 3.758 -13.918 2.290 43 HB2 PRO 11 1HB PRO 11 1.198 -14.791 2.523 44 HB3 PRO 11 2HB PRO 11 2.035 -14.673 0.971 45 HG2 PRO 11 1HG PRO 11 1.587 -17.073 2.703 46 HG3 PRO 11 2HG PRO 11 1.443 -16.922 0.942 47 HD2 PRO 11 1HD PRO 11 3.615 -18.011 2.138 48 HD3 PRO 11 2HD PRO 11 3.717 -17.106 0.615 49 H GLY 12 H GLY 12 3.000 -16.696 4.365 50 HA2 GLY 12 1HA GLY 12 1.734 -15.408 6.463 51 HA3 GLY 12 2HA GLY 12 2.730 -16.845 6.641 52 H LEU 13 H LEU 13 5.101 -15.351 5.594 53 HA LEU 13 HA LEU 13 5.785 -14.041 8.127 54 HB2 LEU 13 1HB LEU 13 7.662 -14.871 5.928 55 HB3 LEU 13 2HB LEU 13 8.071 -14.436 7.586 56 HG LEU 13 HG LEU 13 6.651 -16.935 6.670 57 HD11 LEU 13 1HD1 LEU 13 8.670 -18.009 7.698 58 HD12 LEU 13 2HD1 LEU 13 9.393 -16.403 7.792 59 HD13 LEU 13 3HD1 LEU 13 8.979 -17.093 6.223 60 HD21 LEU 13 1HD2 LEU 13 7.498 -16.311 9.481 61 HD22 LEU 13 2HD2 LEU 13 6.423 -17.586 8.907 62 HD23 LEU 13 3HD2 LEU 13 5.890 -15.904 8.883 63 H VAL 14 H VAL 14 4.252 -12.819 5.867 64 HA VAL 14 HA VAL 14 5.999 -10.480 5.487 65 HB VAL 14 HB VAL 14 4.159 -11.714 3.437 66 HG11 VAL 14 1HG1 VAL 14 5.113 -8.966 3.755 67 HG12 VAL 14 2HG1 VAL 14 5.430 -9.663 2.165 68 HG13 VAL 14 3HG1 VAL 14 3.782 -9.601 2.790 69 HG21 VAL 14 1HG2 VAL 14 7.137 -11.270 3.539 70 HG22 VAL 14 2HG2 VAL 14 6.280 -12.810 3.479 71 HG23 VAL 14 3HG2 VAL 14 6.264 -11.737 2.080 72 H SER 15 H SER 15 5.147 -8.654 6.229 73 HA SER 15 HA SER 15 2.249 -8.282 6.208 74 HB2 SER 15 1HB SER 15 3.982 -8.216 8.675 75 HB3 SER 15 2HB SER 15 2.442 -7.361 8.597 76 HG SER 15 HG SER 15 1.412 -9.200 8.728 77 H ALA 16 H ALA 16 1.694 -5.988 6.906 78 HA ALA 16 HA ALA 16 3.813 -4.117 6.080 79 HB1 ALA 16 1HB ALA 16 1.864 -4.689 4.400 80 HB2 ALA 16 2HB ALA 16 0.988 -3.510 5.377 81 HB3 ALA 16 3HB ALA 16 2.482 -3.045 4.563 82 H TYR 17 H TYR 17 3.992 -2.266 7.242 83 HA TYR 17 HA TYR 17 1.909 -1.650 9.216 84 HB2 TYR 17 1HB TYR 17 3.651 -1.220 10.921 85 HB3 TYR 17 2HB TYR 17 3.602 -2.908 10.423 86 HD1 TYR 17 1HD TYR 17 5.441 0.279 9.899 87 HD2 TYR 17 2HD TYR 17 5.528 -3.965 9.599 88 HE1 TYR 17 1HE TYR 17 7.843 0.371 9.380 89 HE2 TYR 17 2HE TYR 17 7.930 -3.884 9.079 90 HH TYR 17 HH TYR 17 9.784 -0.985 9.396 91 H GLY 18 H GLY 18 1.498 0.481 9.483 92 HA2 GLY 18 1HA GLY 18 3.066 2.667 9.349 93 HA3 GLY 18 2HA GLY 18 2.789 2.316 7.650 94 HA PRO 19 HA PRO 19 -0.724 4.844 9.621 95 HB2 PRO 19 1HB PRO 19 -0.145 7.247 8.499 96 HB3 PRO 19 2HB PRO 19 0.486 6.744 10.072 97 HG2 PRO 19 1HG PRO 19 1.818 6.690 7.391 98 HG3 PRO 19 2HG PRO 19 2.479 7.189 8.959 99 HD2 PRO 19 1HD PRO 19 2.982 4.761 7.873 100 HD3 PRO 19 2HD PRO 19 2.873 5.019 9.626 101 H GLY 20 H GLY 20 0.734 4.582 6.452 102 HA2 GLY 20 1HA GLY 20 -1.418 5.617 4.933 103 HA3 GLY 20 2HA GLY 20 -0.163 4.540 4.338 104 H LEU 21 H LEU 21 -0.672 2.357 6.077 105 HA LEU 21 HA LEU 21 -2.772 1.089 4.635 106 HB2 LEU 21 1HB LEU 21 -1.425 0.128 7.151 107 HB3 LEU 21 2HB LEU 21 -2.293 -0.850 5.970 108 HG LEU 21 HG LEU 21 0.131 0.667 5.109 109 HD11 LEU 21 1HD1 LEU 21 0.077 -1.783 6.828 110 HD12 LEU 21 2HD1 LEU 21 1.095 -0.350 6.960 111 HD13 LEU 21 3HD1 LEU 21 1.379 -1.517 5.668 112 HD21 LEU 21 1HD2 LEU 21 -0.937 -0.367 3.321 113 HD22 LEU 21 2HD2 LEU 21 -1.351 -1.798 4.266 114 HD23 LEU 21 3HD2 LEU 21 0.318 -1.524 3.765 115 H GLU 22 H GLU 22 -2.481 2.441 7.877 116 HA GLU 22 HA GLU 22 -5.135 1.580 8.635 117 HB2 GLU 22 1HB GLU 22 -2.901 3.041 9.961 118 HB3 GLU 22 2HB GLU 22 -4.524 3.263 10.598 119 HG2 GLU 22 1HG GLU 22 -4.576 0.648 10.539 120 HG3 GLU 22 2HG GLU 22 -2.822 0.823 10.551 121 H GLY 23 H GLY 23 -3.643 4.367 7.225 122 HA2 GLY 23 1HA GLY 23 -5.136 5.843 5.963 123 HA3 GLY 23 2HA GLY 23 -6.254 5.747 7.317 124 H GLY 24 H GLY 24 -5.762 8.205 6.559 125 HA2 GLY 24 1HA GLY 24 -4.403 9.342 8.820 126 HA3 GLY 24 2HA GLY 24 -3.534 9.596 7.313 127 H THR 25 H THR 25 -3.958 11.439 6.316 128 HA THR 25 HA THR 25 -6.647 12.605 6.586 129 HB THR 25 HB THR 25 -3.995 13.983 6.948 130 HG1 THR 25 1HG THR 25 -4.753 13.672 8.917 131 HG21 THR 25 1HG2 THR 25 -6.649 15.230 6.236 132 HG22 THR 25 2HG2 THR 25 -5.133 15.353 5.344 133 HG23 THR 25 3HG2 THR 25 -5.294 16.125 6.922 134 H THR 26 H THR 26 -7.344 13.913 4.839 135 HA THR 26 HA THR 26 -6.539 12.981 2.291 136 HB THR 26 HB THR 26 -8.009 14.921 1.464 137 HG1 THR 26 1HG THR 26 -9.076 16.080 2.962 138 HG21 THR 26 1HG2 THR 26 -8.730 12.472 2.887 139 HG22 THR 26 2HG2 THR 26 -9.307 13.094 1.341 140 HG23 THR 26 3HG2 THR 26 -10.024 13.667 2.846 141 H GLY 27 H GLY 27 -5.419 13.992 0.633 142 HA2 GLY 27 1HA GLY 27 -3.896 15.403 -0.351 143 HA3 GLY 27 2HA GLY 27 -4.438 16.647 0.766 144 H VAL 28 H VAL 28 -3.288 13.690 2.106 145 HA VAL 28 HA VAL 28 -0.720 14.985 2.759 146 HB VAL 28 HB VAL 28 -2.474 13.304 4.549 147 HG11 VAL 28 1HG1 VAL 28 0.415 13.734 4.579 148 HG12 VAL 28 2HG1 VAL 28 -0.381 14.145 6.100 149 HG13 VAL 28 3HG1 VAL 28 -0.561 12.528 5.416 150 HG21 VAL 28 1HG2 VAL 28 -3.015 15.199 5.635 151 HG22 VAL 28 2HG2 VAL 28 -1.398 15.881 5.464 152 HG23 VAL 28 3HG2 VAL 28 -2.543 15.983 4.127 153 H SER 29 H SER 29 0.886 13.933 1.808 154 HA SER 29 HA SER 29 0.789 11.484 0.560 155 HB2 SER 29 1HB SER 29 3.300 11.474 0.786 156 HB3 SER 29 2HB SER 29 2.628 12.969 0.134 157 HG SER 29 HG SER 29 3.241 12.593 2.876 158 H SER 30 H SER 30 0.264 9.579 1.390 159 HA SER 30 HA SER 30 1.280 8.883 4.068 160 HB2 SER 30 1HB SER 30 -1.209 7.892 2.656 161 HB3 SER 30 2HB SER 30 -0.646 7.328 4.229 162 HG SER 30 HG SER 30 -1.839 9.740 3.520 163 H GLU 31 H GLU 31 2.542 7.135 4.281 164 HA GLU 31 HA GLU 31 2.719 5.255 2.025 165 HB2 GLU 31 1HB GLU 31 5.180 5.126 2.435 166 HB3 GLU 31 2HB GLU 31 4.638 6.680 1.817 167 HG2 GLU 31 1HG GLU 31 4.799 7.669 3.996 168 HG3 GLU 31 2HG GLU 31 5.167 6.105 4.722 169 H PHE 32 H PHE 32 4.221 3.322 2.812 170 HA PHE 32 HA PHE 32 3.962 2.620 5.578 171 HB2 PHE 32 1HB PHE 32 2.525 0.611 5.154 172 HB3 PHE 32 2HB PHE 32 1.684 2.147 4.968 173 HD1 PHE 32 1HD PHE 32 3.242 -0.646 3.124 174 HD2 PHE 32 2HD PHE 32 0.694 2.756 2.920 175 HE1 PHE 32 1HE PHE 32 2.537 -1.314 0.863 176 HE2 PHE 32 2HE PHE 32 -0.016 2.093 0.660 177 HZ PHE 32 HZ PHE 32 0.905 0.055 -0.371 178 H ILE 33 H ILE 33 5.163 0.791 6.135 179 HA ILE 33 HA ILE 33 7.003 -0.106 4.036 180 HB ILE 33 HB ILE 33 7.205 -0.090 7.038 181 HG12 ILE 33 1HG1 ILE 33 8.793 1.151 4.788 182 HG13 ILE 33 2HG1 ILE 33 7.844 1.982 6.015 183 HG21 ILE 33 1HG2 ILE 33 8.082 -2.205 6.512 184 HG22 ILE 33 2HG2 ILE 33 8.863 -1.610 5.048 185 HG23 ILE 33 3HG2 ILE 33 9.486 -1.145 6.631 186 HD11 ILE 33 1HD1 ILE 33 9.529 0.769 7.637 187 HD12 ILE 33 2HD1 ILE 33 10.545 0.777 6.194 188 HD13 ILE 33 3HD1 ILE 33 9.932 2.295 6.849 189 H VAL 34 H VAL 34 7.279 -2.230 3.513 190 HA VAL 34 HA VAL 34 5.366 -4.123 4.712 191 HB VAL 34 HB VAL 34 6.606 -4.205 1.958 192 HG11 VAL 34 1HG1 VAL 34 6.001 -6.396 3.194 193 HG12 VAL 34 2HG1 VAL 34 4.331 -5.913 2.889 194 HG13 VAL 34 3HG1 VAL 34 5.439 -6.164 1.539 195 HG21 VAL 34 1HG2 VAL 34 4.206 -3.842 1.249 196 HG22 VAL 34 2HG2 VAL 34 3.870 -3.403 2.923 197 HG23 VAL 34 3HG2 VAL 34 5.014 -2.453 1.975 198 H ASN 35 H ASN 35 6.468 -5.202 6.247 199 HA ASN 35 HA ASN 35 9.230 -5.854 6.058 200 HB2 ASN 35 1HB ASN 35 8.573 -5.737 8.262 201 HB3 ASN 35 2HB ASN 35 7.010 -6.486 7.947 202 HD21 ASN 35 1HD2 ASN 35 10.436 -7.357 7.593 203 HD22 ASN 35 2HD2 ASN 35 10.287 -8.918 8.317 204 H THR 36 H THR 36 9.736 -7.086 4.307 205 HA THR 36 HA THR 36 8.349 -9.669 4.023 206 HB THR 36 HB THR 36 9.047 -9.728 1.720 207 HG1 THR 36 1HG THR 36 10.574 -7.453 2.452 208 HG21 THR 36 1HG2 THR 36 7.494 -8.270 0.964 209 HG22 THR 36 2HG2 THR 36 8.230 -6.897 1.790 210 HG23 THR 36 3HG2 THR 36 7.190 -8.008 2.681 211 H LEU 37 H LEU 37 11.249 -8.217 4.978 212 HA LEU 37 HA LEU 37 13.274 -9.867 4.188 213 HB2 LEU 37 1HB LEU 37 12.885 -8.862 7.002 214 HB3 LEU 37 2HB LEU 37 14.411 -9.327 6.253 215 HG LEU 37 HG LEU 37 12.838 -7.109 5.033 216 HD11 LEU 37 1HD1 LEU 37 14.706 -6.033 6.890 217 HD12 LEU 37 2HD1 LEU 37 13.595 -7.094 7.756 218 HD13 LEU 37 3HD1 LEU 37 12.966 -5.763 6.786 219 HD21 LEU 37 1HD2 LEU 37 15.276 -6.288 4.813 220 HD22 LEU 37 2HD2 LEU 37 14.734 -7.626 3.799 221 HD23 LEU 37 3HD2 LEU 37 15.705 -7.946 5.237 222 H ASN 38 H ASN 38 11.051 -10.431 6.905 223 HA ASN 38 HA ASN 38 12.116 -12.818 7.835 224 HB2 ASN 38 1HB ASN 38 9.196 -12.024 7.746 225 HB3 ASN 38 2HB ASN 38 9.897 -13.261 8.786 226 HD21 ASN 38 1HD2 ASN 38 12.149 -12.103 9.704 227 HD22 ASN 38 2HD2 ASN 38 11.770 -10.699 10.638 228 H ALA 39 H ALA 39 10.154 -12.184 5.028 229 HA ALA 39 HA ALA 39 9.291 -14.826 4.518 230 HB1 ALA 39 1HB ALA 39 8.240 -13.909 2.775 231 HB2 ALA 39 2HB ALA 39 8.829 -12.364 3.391 232 HB3 ALA 39 3HB ALA 39 9.728 -13.212 2.133 233 H GLY 40 H GLY 40 11.942 -12.950 3.026 234 HA2 GLY 40 1HA GLY 40 14.132 -14.150 2.947 235 HA3 GLY 40 2HA GLY 40 13.219 -15.530 2.355 236 H SER 41 H SER 41 11.627 -14.581 0.446 237 HA SER 41 HA SER 41 12.761 -12.686 -1.309 238 HB2 SER 41 1HB SER 41 14.432 -14.659 -1.395 239 HB3 SER 41 2HB SER 41 13.175 -15.497 -2.305 240 HG SER 41 HG SER 41 14.107 -12.924 -3.022 241 H GLY 42 H GLY 42 11.609 -12.529 -3.333 242 HA2 GLY 42 1HA GLY 42 9.789 -13.933 -4.586 243 HA3 GLY 42 2HA GLY 42 8.908 -13.644 -3.093 244 H ALA 43 H ALA 43 7.777 -12.795 -5.380 245 HA ALA 43 HA ALA 43 8.462 -10.027 -5.878 246 HB1 ALA 43 1HB ALA 43 6.226 -10.281 -7.267 247 HB2 ALA 43 2HB ALA 43 7.757 -10.942 -7.844 248 HB3 ALA 43 3HB ALA 43 6.579 -11.997 -7.061 249 H LEU 44 H LEU 44 6.606 -8.407 -5.910 250 HA LEU 44 HA LEU 44 4.738 -8.813 -3.689 251 HB2 LEU 44 1HB LEU 44 6.509 -7.670 -2.624 252 HB3 LEU 44 2HB LEU 44 6.714 -6.569 -3.984 253 HG LEU 44 HG LEU 44 4.366 -5.711 -3.379 254 HD11 LEU 44 1HD1 LEU 44 4.108 -5.945 -0.795 255 HD12 LEU 44 2HD1 LEU 44 5.020 -7.435 -1.034 256 HD13 LEU 44 3HD1 LEU 44 3.483 -7.201 -1.865 257 HD21 LEU 44 1HD2 LEU 44 6.196 -5.017 -1.174 258 HD22 LEU 44 2HD2 LEU 44 5.367 -3.979 -2.334 259 HD23 LEU 44 3HD2 LEU 44 6.841 -4.827 -2.805 260 H SER 45 H SER 45 2.764 -7.916 -3.985 261 HA SER 45 HA SER 45 2.404 -6.197 -6.351 262 HB2 SER 45 1HB SER 45 1.541 -8.684 -6.395 263 HB3 SER 45 2HB SER 45 0.219 -8.028 -5.431 264 HG SER 45 HG SER 45 -0.193 -7.974 -7.703 265 H VAL 46 H VAL 46 1.562 -4.277 -5.914 266 HA VAL 46 HA VAL 46 -0.073 -3.976 -3.479 267 HB VAL 46 HB VAL 46 1.777 -1.890 -4.643 268 HG11 VAL 46 1HG1 VAL 46 0.761 -0.425 -3.319 269 HG12 VAL 46 2HG1 VAL 46 -0.433 -1.661 -2.918 270 HG13 VAL 46 3HG1 VAL 46 1.006 -1.465 -1.917 271 HG21 VAL 46 1HG2 VAL 46 2.224 -4.054 -2.718 272 HG22 VAL 46 2HG2 VAL 46 3.382 -3.120 -3.666 273 HG23 VAL 46 3HG2 VAL 46 2.740 -2.463 -2.160 274 H THR 47 H THR 47 -1.907 -2.741 -3.611 275 HA THR 47 HA THR 47 -2.499 -1.168 -5.954 276 HB THR 47 HB THR 47 -4.647 -2.441 -6.405 277 HG1 THR 47 1HG THR 47 -3.366 -4.701 -5.325 278 HG21 THR 47 1HG2 THR 47 -3.604 -3.971 -7.930 279 HG22 THR 47 2HG2 THR 47 -2.116 -3.979 -6.984 280 HG23 THR 47 3HG2 THR 47 -2.604 -2.522 -7.849 281 H ILE 48 H ILE 48 -4.307 0.182 -5.691 282 HA ILE 48 HA ILE 48 -5.545 0.134 -3.020 283 HB ILE 48 HB ILE 48 -4.634 2.607 -4.496 284 HG12 ILE 48 1HG1 ILE 48 -3.617 1.511 -1.871 285 HG13 ILE 48 2HG1 ILE 48 -2.840 1.180 -3.416 286 HG21 ILE 48 1HG2 ILE 48 -6.067 2.235 -1.876 287 HG22 ILE 48 2HG2 ILE 48 -5.272 3.736 -2.347 288 HG23 ILE 48 3HG2 ILE 48 -6.623 3.118 -3.297 289 HD11 ILE 48 1HD1 ILE 48 -2.880 3.814 -3.588 290 HD12 ILE 48 2HD1 ILE 48 -2.928 3.678 -1.830 291 HD13 ILE 48 3HD1 ILE 48 -1.601 2.951 -2.735 292 H ASP 49 H ASP 49 -7.652 1.030 -2.877 293 HA ASP 49 HA ASP 49 -9.007 1.712 -5.366 294 HB2 ASP 49 1HB ASP 49 -9.104 -0.860 -4.747 295 HB3 ASP 49 2HB ASP 49 -10.359 -0.315 -3.638 296 H GLY 50 H GLY 50 -10.023 3.555 -4.952 297 HA2 GLY 50 1HA GLY 50 -11.637 3.771 -2.522 298 HA3 GLY 50 2HA GLY 50 -10.386 4.981 -2.768 299 HA PRO 51 HA PRO 51 -14.373 6.399 -4.745 300 HB2 PRO 51 1HB PRO 51 -14.465 8.793 -3.467 301 HB3 PRO 51 2HB PRO 51 -15.170 7.317 -2.796 302 HG2 PRO 51 1HG PRO 51 -12.543 8.612 -2.177 303 HG3 PRO 51 2HG PRO 51 -13.728 7.900 -1.067 304 HD2 PRO 51 1HD PRO 51 -11.488 6.591 -1.841 305 HD3 PRO 51 2HD PRO 51 -13.007 5.749 -1.477 306 H SER 52 H SER 52 -11.127 7.346 -4.554 307 HA SER 52 HA SER 52 -11.311 8.755 -7.066 308 HB2 SER 52 1HB SER 52 -10.072 10.762 -6.183 309 HB3 SER 52 2HB SER 52 -11.737 10.626 -5.618 310 HG SER 52 HG SER 52 -10.220 11.121 -3.938 311 H LYS 53 H LYS 53 -9.772 7.799 -8.206 312 HA LYS 53 HA LYS 53 -7.788 6.158 -7.517 313 HB2 LYS 53 1HB LYS 53 -6.531 6.863 -9.499 314 HB3 LYS 53 2HB LYS 53 -8.254 6.771 -9.839 315 HG2 LYS 53 1HG LYS 53 -7.076 9.385 -9.032 316 HG3 LYS 53 2HG LYS 53 -6.830 8.793 -10.677 317 HD2 LYS 53 1HD LYS 53 -9.391 8.415 -10.665 318 HD3 LYS 53 2HD LYS 53 -9.384 9.520 -9.289 319 HE2 LYS 53 1HE LYS 53 -9.695 10.996 -11.017 320 HE3 LYS 53 2HE LYS 53 -7.936 11.007 -10.893 321 HZ1 LYS 53 1HZ LYS 53 -7.991 10.547 -13.060 322 HZ2 LYS 53 2HZ LYS 53 -9.615 10.076 -13.034 323 HZ3 LYS 53 3HZ LYS 53 -8.408 8.971 -12.606 324 H VAL 54 H VAL 54 -5.655 6.219 -6.834 325 HA VAL 54 HA VAL 54 -4.692 8.809 -5.813 326 HB VAL 54 HB VAL 54 -3.823 7.774 -3.834 327 HG11 VAL 54 1HG1 VAL 54 -6.665 6.878 -4.305 328 HG12 VAL 54 2HG1 VAL 54 -5.886 7.044 -2.730 329 HG13 VAL 54 3HG1 VAL 54 -6.155 8.468 -3.737 330 HG21 VAL 54 1HG2 VAL 54 -4.716 5.202 -5.111 331 HG22 VAL 54 2HG2 VAL 54 -3.098 5.654 -4.575 332 HG23 VAL 54 3HG2 VAL 54 -4.363 5.333 -3.388 333 H GLN 55 H GLN 55 -2.747 9.358 -6.539 334 HA GLN 55 HA GLN 55 -1.252 7.614 -8.227 335 HB2 GLN 55 1HB GLN 55 -1.449 10.241 -8.195 336 HB3 GLN 55 2HB GLN 55 -0.076 10.121 -7.102 337 HG2 GLN 55 1HG GLN 55 0.721 10.481 -9.329 338 HG3 GLN 55 2HG GLN 55 1.141 8.844 -8.825 339 HE21 GLN 55 1HE2 GLN 55 1.382 8.337 -11.055 340 HE22 GLN 55 2HE2 GLN 55 -0.002 8.005 -12.034 341 H LEU 56 H LEU 56 -0.298 5.896 -7.303 342 HA LEU 56 HA LEU 56 1.136 6.233 -4.776 343 HB2 LEU 56 1HB LEU 56 1.160 3.869 -4.608 344 HB3 LEU 56 2HB LEU 56 -0.460 4.342 -5.115 345 HG LEU 56 HG LEU 56 0.382 3.794 -7.500 346 HD11 LEU 56 1HD1 LEU 56 2.095 1.709 -6.480 347 HD12 LEU 56 2HD1 LEU 56 2.733 3.307 -6.096 348 HD13 LEU 56 3HD1 LEU 56 2.385 2.876 -7.770 349 HD21 LEU 56 1HD2 LEU 56 -0.751 1.850 -7.331 350 HD22 LEU 56 2HD2 LEU 56 -1.117 2.452 -5.714 351 HD23 LEU 56 3HD2 LEU 56 0.192 1.293 -5.949 352 H ASP 57 H ASP 57 3.316 5.725 -4.528 353 HA ASP 57 HA ASP 57 4.852 5.370 -7.013 354 HB2 ASP 57 1HB ASP 57 5.101 7.477 -4.931 355 HB3 ASP 57 2HB ASP 57 6.597 6.824 -5.591 356 H CYS 58 H CYS 58 5.662 3.378 -6.851 357 HA CYS 58 HA CYS 58 6.263 2.123 -4.364 358 HB2 CYS 58 1HB CYS 58 5.605 1.040 -6.626 359 HB3 CYS 58 2HB CYS 58 7.315 1.180 -7.017 360 HG CYS 58 HG CYS 58 6.001 -1.330 -5.713 361 H ARG 59 H ARG 59 8.156 1.910 -3.298 362 HA ARG 59 HA ARG 59 10.622 2.835 -4.574 363 HB2 ARG 59 1HB ARG 59 9.293 4.046 -2.199 364 HB3 ARG 59 2HB ARG 59 11.047 3.916 -2.177 365 HG2 ARG 59 1HG ARG 59 10.864 5.019 -4.539 366 HG3 ARG 59 2HG ARG 59 9.288 5.545 -3.943 367 HD2 ARG 59 1HD ARG 59 10.346 6.600 -2.025 368 HD3 ARG 59 2HD ARG 59 11.925 6.027 -2.560 369 HE ARG 59 HE ARG 59 12.010 7.777 -4.022 370 HH11 ARG 59 1HH1 ARG 59 8.703 7.291 -3.049 371 HH12 ARG 59 2HH1 ARG 59 8.120 8.706 -3.860 372 HH21 ARG 59 1HH2 ARG 59 11.254 9.643 -5.094 373 HH22 ARG 59 2HH2 ARG 59 9.572 10.043 -5.023 374 H GLU 60 H GLU 60 12.526 2.443 -2.976 375 HA GLU 60 HA GLU 60 12.184 -0.277 -1.923 376 HB2 GLU 60 1HB GLU 60 14.596 -0.514 -2.163 377 HB3 GLU 60 2HB GLU 60 13.878 0.005 -3.682 378 HG2 GLU 60 1HG GLU 60 14.495 2.386 -2.867 379 HG3 GLU 60 2HG GLU 60 15.596 1.537 -1.783 380 H CYS 61 H CYS 61 12.945 -0.848 0.119 381 HA CYS 61 HA CYS 61 13.907 1.291 1.864 382 HB2 CYS 61 1HB CYS 61 12.266 0.446 3.638 383 HB3 CYS 61 2HB CYS 61 11.602 1.433 2.342 384 HG CYS 61 HG CYS 61 10.670 -1.526 3.312 385 HA PRO 62 HA PRO 62 16.557 -1.828 3.451 386 HB2 PRO 62 1HB PRO 62 16.966 -0.903 5.971 387 HB3 PRO 62 2HB PRO 62 17.674 -0.142 4.541 388 HG2 PRO 62 1HG PRO 62 15.239 0.644 6.096 389 HG3 PRO 62 2HG PRO 62 16.528 1.671 5.440 390 HD2 PRO 62 1HD PRO 62 14.129 1.384 4.217 391 HD3 PRO 62 2HD PRO 62 15.635 1.651 3.315 392 H GLU 63 H GLU 63 13.403 -1.471 4.465 393 HA GLU 63 HA GLU 63 13.604 -3.712 6.364 394 HB2 GLU 63 1HB GLU 63 11.600 -1.486 6.083 395 HB3 GLU 63 2HB GLU 63 11.219 -2.954 6.972 396 HG2 GLU 63 1HG GLU 63 13.718 -1.493 7.644 397 HG3 GLU 63 2HG GLU 63 12.175 -0.830 8.179 398 H GLY 64 H GLY 64 12.710 -2.909 3.232 399 HA2 GLY 64 1HA GLY 64 12.107 -5.255 2.179 400 HA3 GLY 64 2HA GLY 64 10.611 -4.934 3.043 401 H HIS 65 H HIS 65 9.091 -3.718 2.086 402 HA HIS 65 HA HIS 65 9.859 -2.216 -0.328 403 HB2 HIS 65 1HB HIS 65 7.434 -3.968 0.093 404 HB3 HIS 65 2HB HIS 65 7.595 -2.838 -1.248 405 HD1 HIS 65 1HD HIS 65 9.864 -3.313 -2.761 406 HD2 HIS 65 2HD HIS 65 8.361 -6.442 -0.479 407 HE1 HIS 65 1HE HIS 65 10.848 -5.403 -3.755 408 HE2 HIS 65 2HE HIS 65 9.857 -7.289 -2.411 409 H VAL 66 H VAL 66 8.910 -0.239 -0.634 410 HA VAL 66 HA VAL 66 6.988 0.659 1.407 411 HB VAL 66 HB VAL 66 9.285 1.503 1.902 412 HG11 VAL 66 1HG1 VAL 66 9.381 1.946 -0.841 413 HG12 VAL 66 2HG1 VAL 66 9.294 3.559 -0.129 414 HG13 VAL 66 3HG1 VAL 66 10.576 2.447 0.355 415 HG21 VAL 66 1HG2 VAL 66 8.421 3.398 2.756 416 HG22 VAL 66 2HG2 VAL 66 7.836 3.961 1.191 417 HG23 VAL 66 3HG2 VAL 66 6.903 2.779 2.108 418 H VAL 67 H VAL 67 5.399 2.049 0.726 419 HA VAL 67 HA VAL 67 5.452 2.956 -2.062 420 HB VAL 67 HB VAL 67 3.185 1.409 -0.804 421 HG11 VAL 67 1HG1 VAL 67 2.568 1.848 -3.466 422 HG12 VAL 67 2HG1 VAL 67 1.830 2.643 -2.074 423 HG13 VAL 67 3HG1 VAL 67 3.184 3.404 -2.909 424 HG21 VAL 67 1HG2 VAL 67 5.134 0.135 -1.754 425 HG22 VAL 67 2HG2 VAL 67 3.571 -0.228 -2.484 426 HG23 VAL 67 3HG2 VAL 67 4.717 0.814 -3.327 427 H THR 68 H THR 68 4.881 5.020 -2.232 428 HA THR 68 HA THR 68 3.420 6.251 0.010 429 HB THR 68 HB THR 68 5.346 7.506 -1.953 430 HG1 THR 68 1HG THR 68 6.524 7.872 0.038 431 HG21 THR 68 1HG2 THR 68 4.179 9.388 -1.583 432 HG22 THR 68 2HG2 THR 68 4.892 9.349 0.029 433 HG23 THR 68 3HG2 THR 68 3.285 8.676 -0.241 434 H TYR 69 H TYR 69 1.488 7.146 -0.353 435 HA TYR 69 HA TYR 69 0.721 7.818 -3.104 436 HB2 TYR 69 1HB TYR 69 -1.387 6.705 -2.925 437 HB3 TYR 69 2HB TYR 69 -0.149 5.541 -2.464 438 HD1 TYR 69 1HD TYR 69 -2.679 7.880 -1.078 439 HD2 TYR 69 2HD TYR 69 -0.221 4.481 -0.369 440 HE1 TYR 69 1HE TYR 69 -3.855 7.480 1.044 441 HE2 TYR 69 2HE TYR 69 -1.391 4.071 1.755 442 HH TYR 69 HH TYR 69 -2.717 5.246 3.383 443 H THR 70 H THR 70 -1.315 9.135 -3.158 444 HA THR 70 HA THR 70 -1.621 10.777 -0.735 445 HB THR 70 HB THR 70 -1.360 11.816 -3.563 446 HG1 THR 70 1HG THR 70 0.538 11.244 -2.037 447 HG21 THR 70 1HG2 THR 70 -2.909 12.880 -1.527 448 HG22 THR 70 2HG2 THR 70 -2.305 13.745 -2.941 449 HG23 THR 70 3HG2 THR 70 -1.400 13.786 -1.428 450 HA PRO 71 HA PRO 71 -5.881 9.739 -1.544 451 HB2 PRO 71 1HB PRO 71 -6.896 11.076 0.589 452 HB3 PRO 71 2HB PRO 71 -6.096 9.506 0.732 453 HG2 PRO 71 1HG PRO 71 -5.001 12.244 1.247 454 HG3 PRO 71 2HG PRO 71 -4.793 10.760 2.194 455 HD2 PRO 71 1HD PRO 71 -2.899 11.679 0.491 456 HD3 PRO 71 2HD PRO 71 -3.150 9.949 0.795 457 H MET 72 H MET 72 -7.512 10.734 -2.617 458 HA MET 72 HA MET 72 -7.209 13.611 -3.121 459 HB2 MET 72 1HB MET 72 -8.326 11.337 -4.709 460 HB3 MET 72 2HB MET 72 -8.929 12.961 -5.009 461 HG2 MET 72 1HG MET 72 -6.615 13.707 -5.427 462 HG3 MET 72 2HG MET 72 -6.072 12.043 -5.219 463 HE1 MET 72 1HE MET 72 -8.120 14.522 -6.919 464 HE2 MET 72 2HE MET 72 -7.814 14.211 -8.628 465 HE3 MET 72 3HE MET 72 -9.229 13.508 -7.844 466 H ALA 73 H ALA 73 -9.366 11.202 -1.851 467 HA ALA 73 HA ALA 73 -11.132 13.319 -0.894 468 HB1 ALA 73 1HB ALA 73 -12.511 12.860 -2.635 469 HB2 ALA 73 2HB ALA 73 -11.905 11.215 -2.828 470 HB3 ALA 73 3HB ALA 73 -13.050 11.587 -1.540 471 HA PRO 74 HA PRO 74 -11.084 10.931 2.797 472 HB2 PRO 74 1HB PRO 74 -13.412 11.757 3.924 473 HB3 PRO 74 2HB PRO 74 -11.971 12.777 3.838 474 HG2 PRO 74 1HG PRO 74 -14.393 12.767 2.079 475 HG3 PRO 74 2HG PRO 74 -13.504 14.147 2.750 476 HD2 PRO 74 1HD PRO 74 -13.179 13.307 0.196 477 HD3 PRO 74 2HD PRO 74 -11.860 14.032 1.138 478 H GLY 75 H GLY 75 -11.391 8.791 2.776 479 HA2 GLY 75 1HA GLY 75 -13.954 7.633 3.026 480 HA3 GLY 75 2HA GLY 75 -13.388 7.429 1.375 481 H ASN 76 H ASN 76 -13.513 5.128 1.878 482 HA ASN 76 HA ASN 76 -11.270 4.179 3.528 483 HB2 ASN 76 1HB ASN 76 -12.455 2.007 3.570 484 HB3 ASN 76 2HB ASN 76 -13.436 3.312 4.232 485 HD21 ASN 76 1HD2 ASN 76 -13.639 0.648 2.463 486 HD22 ASN 76 2HD2 ASN 76 -14.951 1.051 1.414 487 H TYR 77 H TYR 77 -9.511 3.881 2.319 488 HA TYR 77 HA TYR 77 -9.772 2.938 -0.431 489 HB2 TYR 77 1HB TYR 77 -7.417 3.985 1.145 490 HB3 TYR 77 2HB TYR 77 -7.289 3.374 -0.501 491 HD1 TYR 77 1HD TYR 77 -8.647 6.069 1.606 492 HD2 TYR 77 2HD TYR 77 -8.056 4.671 -2.369 493 HE1 TYR 77 1HE TYR 77 -9.239 8.294 0.742 494 HE2 TYR 77 2HE TYR 77 -8.645 6.893 -3.244 495 HH TYR 77 HH TYR 77 -10.066 8.895 -2.375 496 H LEU 78 H LEU 78 -9.569 0.867 -0.935 497 HA LEU 78 HA LEU 78 -8.722 -1.050 1.046 498 HB2 LEU 78 1HB LEU 78 -10.622 -1.334 -0.623 499 HB3 LEU 78 2HB LEU 78 -9.373 -1.611 -1.835 500 HG LEU 78 HG LEU 78 -10.008 -3.756 -1.243 501 HD11 LEU 78 1HD1 LEU 78 -7.808 -3.262 0.746 502 HD12 LEU 78 2HD1 LEU 78 -7.541 -3.306 -0.997 503 HD13 LEU 78 3HD1 LEU 78 -8.148 -4.735 -0.162 504 HD21 LEU 78 1HD2 LEU 78 -11.468 -3.132 0.614 505 HD22 LEU 78 2HD2 LEU 78 -10.059 -2.886 1.645 506 HD23 LEU 78 3HD2 LEU 78 -10.438 -4.499 1.041 507 H ILE 79 H ILE 79 -6.641 -1.435 1.388 508 HA ILE 79 HA ILE 79 -4.753 -1.195 -0.846 509 HB ILE 79 HB ILE 79 -4.271 -1.256 2.133 510 HG12 ILE 79 1HG1 ILE 79 -3.912 0.929 0.070 511 HG13 ILE 79 2HG1 ILE 79 -5.184 0.859 1.285 512 HG21 ILE 79 1HG2 ILE 79 -2.515 -1.933 -0.015 513 HG22 ILE 79 2HG2 ILE 79 -1.958 -0.444 0.745 514 HG23 ILE 79 3HG2 ILE 79 -2.188 -1.897 1.717 515 HD11 ILE 79 1HD1 ILE 79 -3.859 1.686 2.875 516 HD12 ILE 79 2HD1 ILE 79 -2.489 0.687 2.389 517 HD13 ILE 79 3HD1 ILE 79 -2.827 2.194 1.539 518 H ALA 80 H ALA 80 -4.599 -3.088 -1.891 519 HA ALA 80 HA ALA 80 -4.567 -5.586 -0.378 520 HB1 ALA 80 1HB ALA 80 -5.296 -4.810 -3.084 521 HB2 ALA 80 2HB ALA 80 -4.289 -6.258 -3.035 522 HB3 ALA 80 3HB ALA 80 -5.802 -6.204 -2.130 523 H ILE 81 H ILE 81 -2.821 -6.903 -0.201 524 HA ILE 81 HA ILE 81 -0.380 -6.213 -1.669 525 HB ILE 81 HB ILE 81 -0.464 -6.634 1.321 526 HG12 ILE 81 1HG1 ILE 81 0.462 -4.148 -0.094 527 HG13 ILE 81 2HG1 ILE 81 -1.240 -4.382 0.293 528 HG21 ILE 81 1HG2 ILE 81 1.970 -5.979 1.126 529 HG22 ILE 81 2HG2 ILE 81 1.546 -7.578 0.518 530 HG23 ILE 81 3HG2 ILE 81 1.808 -6.247 -0.609 531 HD11 ILE 81 1HD1 ILE 81 0.841 -3.418 1.951 532 HD12 ILE 81 2HD1 ILE 81 -0.870 -3.622 2.331 533 HD13 ILE 81 3HD1 ILE 81 0.263 -4.942 2.624 534 H LYS 82 H LYS 82 0.659 -7.945 -2.429 535 HA LYS 82 HA LYS 82 0.121 -10.564 -1.201 536 HB2 LYS 82 1HB LYS 82 0.214 -9.968 -4.165 537 HB3 LYS 82 2HB LYS 82 0.070 -11.571 -3.455 538 HG2 LYS 82 1HG LYS 82 -2.055 -10.757 -2.359 539 HG3 LYS 82 2HG LYS 82 -1.933 -9.334 -3.397 540 HD2 LYS 82 1HD LYS 82 -1.684 -11.124 -5.297 541 HD3 LYS 82 2HD LYS 82 -2.473 -12.179 -4.123 542 HE2 LYS 82 1HE LYS 82 -4.285 -10.480 -3.920 543 HE3 LYS 82 2HE LYS 82 -3.522 -9.577 -5.227 544 HZ1 LYS 82 1HZ LYS 82 -5.251 -10.910 -6.142 545 HZ2 LYS 82 2HZ LYS 82 -4.677 -12.305 -5.379 546 HZ3 LYS 82 3HZ LYS 82 -3.779 -11.593 -6.623 547 H TYR 83 H TYR 83 1.757 -12.205 -1.714 548 HA TYR 83 HA TYR 83 4.268 -11.402 -2.833 549 HB2 TYR 83 1HB TYR 83 4.194 -10.404 -0.461 550 HB3 TYR 83 2HB TYR 83 4.344 -12.065 0.104 551 HD1 TYR 83 1HD TYR 83 6.396 -13.356 -0.377 552 HD2 TYR 83 2HD TYR 83 6.063 -9.240 -1.400 553 HE1 TYR 83 1HE TYR 83 8.838 -13.229 -0.633 554 HE2 TYR 83 2HE TYR 83 8.504 -9.101 -1.660 555 HH TYR 83 HH TYR 83 10.439 -11.460 -2.151 556 H GLY 84 H GLY 84 5.390 -13.140 -3.523 557 HA2 GLY 84 1HA GLY 84 5.549 -15.358 -4.199 558 HA3 GLY 84 2HA GLY 84 5.840 -15.566 -2.479 559 H GLY 85 H GLY 85 2.992 -14.983 -4.557 560 HA2 GLY 85 1HA GLY 85 1.724 -17.358 -4.464 561 HA3 GLY 85 2HA GLY 85 1.385 -16.703 -2.869 562 HA PRO 86 HA PRO 86 -1.309 -14.842 -6.425 563 HB2 PRO 86 1HB PRO 86 -3.257 -16.711 -6.716 564 HB3 PRO 86 2HB PRO 86 -1.791 -16.689 -7.703 565 HG2 PRO 86 1HG PRO 86 -2.429 -18.351 -5.297 566 HG3 PRO 86 2HG PRO 86 -1.649 -18.833 -6.815 567 HD2 PRO 86 1HD PRO 86 -0.248 -18.330 -4.553 568 HD3 PRO 86 2HD PRO 86 0.402 -18.001 -6.172 569 H GLN 87 H GLN 87 -1.563 -16.062 -3.308 570 HA GLN 87 HA GLN 87 -4.225 -14.901 -2.882 571 HB2 GLN 87 1HB GLN 87 -4.329 -16.141 -0.839 572 HB3 GLN 87 2HB GLN 87 -3.773 -17.238 -2.096 573 HG2 GLN 87 1HG GLN 87 -1.410 -16.627 -1.269 574 HG3 GLN 87 2HG GLN 87 -2.240 -16.038 0.171 575 HE21 GLN 87 1HE2 GLN 87 -1.731 -18.862 -1.860 576 HE22 GLN 87 2HE2 GLN 87 -2.031 -20.034 -0.627 577 H HIS 88 H HIS 88 -4.494 -13.750 -0.741 578 HA HIS 88 HA HIS 88 -2.617 -11.593 -0.633 579 HB2 HIS 88 1HB HIS 88 -5.050 -12.246 1.036 580 HB3 HIS 88 2HB HIS 88 -4.094 -10.781 1.239 581 HD1 HIS 88 1HD HIS 88 -5.377 -8.917 0.258 582 HD2 HIS 88 2HD HIS 88 -5.621 -12.347 -2.073 583 HE1 HIS 88 1HE HIS 88 -6.717 -8.260 -1.765 584 HE2 HIS 88 2HE HIS 88 -6.925 -10.373 -3.120 585 H ILE 89 H ILE 89 -1.528 -10.866 1.316 586 HA ILE 89 HA ILE 89 -0.261 -13.085 2.683 587 HB ILE 89 HB ILE 89 1.273 -11.436 3.595 588 HG12 ILE 89 1HG1 ILE 89 -0.359 -9.338 2.154 589 HG13 ILE 89 2HG1 ILE 89 -0.466 -9.644 3.884 590 HG21 ILE 89 1HG2 ILE 89 1.299 -12.279 1.119 591 HG22 ILE 89 2HG2 ILE 89 0.961 -10.588 0.754 592 HG23 ILE 89 3HG2 ILE 89 2.419 -11.023 1.645 593 HD11 ILE 89 1HD1 ILE 89 1.973 -8.720 2.384 594 HD12 ILE 89 2HD1 ILE 89 0.956 -7.746 3.447 595 HD13 ILE 89 3HD1 ILE 89 1.908 -9.074 4.111 596 H VAL 90 H VAL 90 0.234 -12.736 5.088 597 HA VAL 90 HA VAL 90 -2.150 -12.880 6.542 598 HB VAL 90 HB VAL 90 -0.107 -13.915 7.355 599 HG11 VAL 90 1HG1 VAL 90 1.063 -11.453 6.739 600 HG12 VAL 90 2HG1 VAL 90 1.184 -11.607 8.492 601 HG13 VAL 90 3HG1 VAL 90 1.849 -12.863 7.447 602 HG21 VAL 90 1HG2 VAL 90 -1.333 -11.823 9.132 603 HG22 VAL 90 2HG2 VAL 90 -1.693 -13.548 9.059 604 HG23 VAL 90 3HG2 VAL 90 -0.157 -12.996 9.726 605 H GLY 91 H GLY 91 -3.540 -11.243 6.763 606 HA2 GLY 91 1HA GLY 91 -3.926 -9.263 8.197 607 HA3 GLY 91 2HA GLY 91 -2.440 -8.608 7.527 608 H SER 92 H SER 92 -2.815 -9.237 4.831 609 HA SER 92 HA SER 92 -4.539 -7.097 4.057 610 HB2 SER 92 1HB SER 92 -2.901 -9.106 2.518 611 HB3 SER 92 2HB SER 92 -3.946 -7.942 1.704 612 HG SER 92 HG SER 92 -1.583 -7.533 3.126 613 HA PRO 93 HA PRO 93 -5.432 -6.633 1.875 614 HB2 PRO 93 1HB PRO 93 -7.876 -5.468 1.683 615 HB3 PRO 93 2HB PRO 93 -7.281 -6.649 0.511 616 HG2 PRO 93 1HG PRO 93 -9.143 -7.046 2.820 617 HG3 PRO 93 2HG PRO 93 -9.250 -7.692 1.172 618 HD2 PRO 93 1HD PRO 93 -8.344 -9.163 3.258 619 HD3 PRO 93 2HD PRO 93 -7.742 -9.382 1.602 620 H PHE 94 H PHE 94 -5.508 -4.379 2.537 621 HA PHE 94 HA PHE 94 -6.087 -4.092 5.410 622 HB2 PHE 94 1HB PHE 94 -3.970 -2.805 3.685 623 HB3 PHE 94 2HB PHE 94 -4.359 -2.236 5.305 624 HD1 PHE 94 2HD PHE 94 -4.214 -3.979 7.205 625 HD2 PHE 94 1HD PHE 94 -2.390 -4.464 3.390 626 HE1 PHE 94 2HE PHE 94 -2.669 -5.639 8.159 627 HE2 PHE 94 1HE PHE 94 -0.843 -6.126 4.337 628 HZ PHE 94 HZ PHE 94 -0.980 -6.714 6.725 629 H LYS 95 H LYS 95 -7.624 -2.708 5.972 630 HA LYS 95 HA LYS 95 -8.751 -0.940 3.946 631 HB2 LYS 95 1HB LYS 95 -10.203 -2.428 5.346 632 HB3 LYS 95 2HB LYS 95 -9.743 -1.474 6.750 633 HG2 LYS 95 1HG LYS 95 -11.738 -0.505 6.193 634 HG3 LYS 95 2HG LYS 95 -10.610 0.526 5.309 635 HD2 LYS 95 1HD LYS 95 -12.434 -0.027 3.851 636 HD3 LYS 95 2HD LYS 95 -10.997 -0.889 3.295 637 HE2 LYS 95 1HE LYS 95 -11.768 -2.938 4.201 638 HE3 LYS 95 2HE LYS 95 -13.046 -2.135 5.112 639 HZ1 LYS 95 1HZ LYS 95 -14.321 -2.717 3.391 640 HZ2 LYS 95 2HZ LYS 95 -13.009 -2.986 2.359 641 HZ3 LYS 95 3HZ LYS 95 -13.604 -1.418 2.577 642 H ALA 96 H ALA 96 -8.005 1.061 3.781 643 HA ALA 96 HA ALA 96 -6.930 2.381 6.180 644 HB1 ALA 96 1HB ALA 96 -6.497 3.301 3.354 645 HB2 ALA 96 2HB ALA 96 -5.554 3.681 4.796 646 HB3 ALA 96 3HB ALA 96 -5.488 2.062 4.101 647 H LYS 97 H LYS 97 -8.028 3.999 7.065 648 HA LYS 97 HA LYS 97 -10.216 5.214 5.520 649 HB2 LYS 97 1HB LYS 97 -10.931 4.064 7.556 650 HB3 LYS 97 2HB LYS 97 -9.817 5.034 8.512 651 HG2 LYS 97 1HG LYS 97 -11.099 6.950 8.300 652 HG3 LYS 97 2HG LYS 97 -11.938 6.350 6.868 653 HD2 LYS 97 1HD LYS 97 -13.235 4.835 8.158 654 HD3 LYS 97 2HD LYS 97 -12.237 5.098 9.591 655 HE2 LYS 97 1HE LYS 97 -13.775 7.332 8.301 656 HE3 LYS 97 2HE LYS 97 -14.520 6.260 9.486 657 HZ1 LYS 97 1HZ LYS 97 -13.194 7.047 11.167 658 HZ2 LYS 97 2HZ LYS 97 -13.409 8.453 10.252 659 HZ3 LYS 97 3HZ LYS 97 -11.969 7.574 10.126 660 H VAL 98 H VAL 98 -9.857 7.188 4.774 661 HA VAL 98 HA VAL 98 -7.918 8.903 6.178 662 HB VAL 98 HB VAL 98 -8.872 9.145 3.322 663 HG11 VAL 98 1HG1 VAL 98 -7.973 11.173 4.698 664 HG12 VAL 98 2HG1 VAL 98 -6.404 10.414 4.424 665 HG13 VAL 98 3HG1 VAL 98 -7.402 10.899 3.052 666 HG21 VAL 98 1HG2 VAL 98 -6.094 8.481 3.602 667 HG22 VAL 98 2HG2 VAL 98 -7.089 7.274 4.418 668 HG23 VAL 98 3HG2 VAL 98 -7.360 7.634 2.713 669 H THR 99 H THR 99 -8.483 10.908 6.864 670 HA THR 99 HA THR 99 -11.284 11.722 6.435 671 HB THR 99 HB THR 99 -10.975 11.083 8.749 672 HG1 THR 99 1HG THR 99 -11.014 13.921 8.451 673 HG21 THR 99 1HG2 THR 99 -8.455 11.550 8.673 674 HG22 THR 99 2HG2 THR 99 -9.306 11.928 10.171 675 HG23 THR 99 3HG2 THR 99 -8.881 13.219 9.048 676 H GLY 100 H GLY 100 -11.716 14.002 6.374 677 HA2 GLY 100 1HA GLY 100 -10.646 16.265 6.496 678 HA3 GLY 100 2HA GLY 100 -9.362 15.571 5.517 679 HA PRO 101 HA PRO 101 -12.825 17.503 2.904 680 HB2 PRO 101 1HB PRO 101 -11.466 19.693 2.050 681 HB3 PRO 101 2HB PRO 101 -12.458 19.688 3.513 682 HG2 PRO 101 1HG PRO 101 -9.491 19.405 3.235 683 HG3 PRO 101 2HG PRO 101 -10.419 20.358 4.407 684 HD2 PRO 101 1HD PRO 101 -9.340 17.950 5.015 685 HD3 PRO 101 2HD PRO 101 -10.854 18.528 5.739 686 H ARG 102 H ARG 102 -12.891 17.370 0.662 687 HA ARG 102 HA ARG 102 -11.104 15.648 -0.600 688 HB2 ARG 102 1HB ARG 102 -13.238 17.508 -1.566 689 HB3 ARG 102 2HB ARG 102 -12.178 16.742 -2.741 690 HG2 ARG 102 1HG ARG 102 -13.932 15.267 -2.668 691 HG3 ARG 102 2HG ARG 102 -12.825 14.552 -1.494 692 HD2 ARG 102 1HD ARG 102 -14.943 14.515 -0.466 693 HD3 ARG 102 2HD ARG 102 -14.084 15.865 0.273 694 HE ARG 102 HE ARG 102 -15.701 17.244 -0.539 695 HH11 ARG 102 1HH1 ARG 102 -15.662 14.343 -2.463 696 HH12 ARG 102 2HH1 ARG 102 -17.032 14.804 -3.420 697 HH21 ARG 102 1HH2 ARG 102 -17.505 17.862 -1.791 698 HH22 ARG 102 2HH2 ARG 102 -18.078 16.805 -3.037 699 H LEU 103 H LEU 103 -9.000 16.075 -0.835 700 HA LEU 103 HA LEU 103 -8.225 18.719 -1.878 701 HB2 LEU 103 1HB LEU 103 -6.896 16.821 0.005 702 HB3 LEU 103 2HB LEU 103 -5.909 17.906 -0.972 703 HG LEU 103 HG LEU 103 -8.092 18.867 0.869 704 HD11 LEU 103 1HD1 LEU 103 -5.159 18.928 1.494 705 HD12 LEU 103 2HD1 LEU 103 -6.186 17.583 1.988 706 HD13 LEU 103 3HD1 LEU 103 -6.528 19.212 2.569 707 HD21 LEU 103 1HD2 LEU 103 -5.888 20.180 -0.690 708 HD22 LEU 103 2HD2 LEU 103 -6.639 20.963 0.701 709 HD23 LEU 103 3HD2 LEU 103 -7.616 20.534 -0.704 710 H SER 104 H SER 104 -7.039 18.853 -3.713 711 HA SER 104 HA SER 104 -6.375 16.312 -5.049 712 HB2 SER 104 1HB SER 104 -7.155 18.969 -6.274 713 HB3 SER 104 2HB SER 104 -6.666 17.542 -7.188 714 HG SER 104 HG SER 104 -9.071 18.116 -6.489 715 H GLY 105 H GLY 105 -4.552 16.451 -6.609 716 HA2 GLY 105 1HA GLY 105 -2.449 18.224 -5.532 717 HA3 GLY 105 2HA GLY 105 -2.152 16.612 -6.166 718 H SER 106 H SER 106 -0.558 18.394 -7.193 719 HA SER 106 HA SER 106 -1.287 18.479 -9.957 720 HB2 SER 106 1HB SER 106 -1.313 20.997 -8.326 721 HB3 SER 106 2HB SER 106 -0.814 21.053 -10.016 722 HG SER 106 HG SER 106 -3.288 20.097 -9.005 723 H GLY 107 H GLY 107 0.482 18.737 -11.302 724 HA2 GLY 107 1HA GLY 107 2.914 19.876 -10.833 725 HA3 GLY 107 2HA GLY 107 3.041 18.302 -10.061 726 HA PRO 108 HA PRO 108 4.046 18.104 -14.677 727 HB2 PRO 108 1HB PRO 108 6.681 17.505 -14.421 728 HB3 PRO 108 2HB PRO 108 6.079 19.163 -14.528 729 HG2 PRO 108 1HG PRO 108 6.870 17.587 -12.109 730 HG3 PRO 108 2HG PRO 108 7.227 19.277 -12.509 731 HD2 PRO 108 1HD PRO 108 5.258 18.571 -10.790 732 HD3 PRO 108 2HD PRO 108 5.150 20.008 -11.826 733 H SER 109 H SER 109 4.064 16.190 -15.767 734 HA SER 109 HA SER 109 3.652 13.793 -14.287 735 HB2 SER 109 1HB SER 109 3.298 12.734 -16.415 736 HB3 SER 109 2HB SER 109 2.577 14.341 -16.499 737 HG SER 109 HG SER 109 4.804 14.898 -17.385 738 H SER 110 H SER 110 6.433 15.385 -15.310 739 HA SER 110 HA SER 110 8.014 12.909 -15.349 740 HB2 SER 110 1HB SER 110 9.683 14.064 -16.548 741 HB3 SER 110 2HB SER 110 8.171 14.659 -17.234 742 HG SER 110 HG SER 110 8.412 16.548 -16.150 743 H GLY 111 H GLY 111 10.225 13.108 -14.325 744 HA2 GLY 111 1HA GLY 111 11.509 13.406 -12.446 745 HA3 GLY 111 2HA GLY 111 10.774 14.997 -12.318 Start of MODEL 5 1 H1 GLY 1 H GLY 1 2.335 -27.352 6.502 2 HA2 GLY 1 1HA GLY 1 0.123 -25.792 5.417 3 HA3 GLY 1 2HA GLY 1 1.736 -25.150 5.148 4 H SER 2 H SER 2 2.144 -25.462 3.052 5 HA SER 2 HA SER 2 1.140 -27.650 1.549 6 HB2 SER 2 1HB SER 2 2.304 -26.731 -0.294 7 HB3 SER 2 2HB SER 2 1.848 -25.339 0.688 8 HG SER 2 HG SER 2 4.349 -26.395 0.152 9 H SER 3 H SER 3 2.607 -29.120 0.279 10 HA SER 3 HA SER 3 4.980 -29.937 1.797 11 HB2 SER 3 1HB SER 3 4.316 -32.266 1.776 12 HB3 SER 3 2HB SER 3 3.033 -31.320 2.529 13 HG SER 3 HG SER 3 1.735 -31.908 0.990 14 H GLY 4 H GLY 4 6.223 -31.672 0.551 15 HA2 GLY 4 1HA GLY 4 6.858 -32.616 -1.543 16 HA3 GLY 4 2HA GLY 4 5.908 -31.380 -2.354 17 H SER 5 H SER 5 7.608 -30.787 -3.710 18 HA SER 5 HA SER 5 10.212 -30.173 -2.889 19 HB2 SER 5 1HB SER 5 9.578 -30.515 -5.247 20 HB3 SER 5 2HB SER 5 8.664 -29.007 -5.217 21 HG SER 5 HG SER 5 11.345 -28.931 -4.439 22 H SER 6 H SER 6 10.761 -28.718 -1.413 23 HA SER 6 HA SER 6 9.319 -26.729 -0.287 24 HB2 SER 6 1HB SER 6 11.747 -27.515 0.202 25 HB3 SER 6 2HB SER 6 12.219 -26.219 -0.898 26 HG SER 6 HG SER 6 12.090 -25.645 1.387 27 H GLY 7 H GLY 7 8.645 -24.704 -0.750 28 HA2 GLY 7 1HA GLY 7 9.170 -23.741 -3.477 29 HA3 GLY 7 2HA GLY 7 7.801 -23.282 -2.476 30 H ALA 8 H ALA 8 9.604 -21.530 -3.886 31 HA ALA 8 HA ALA 8 11.180 -20.287 -1.762 32 HB1 ALA 8 1HB ALA 8 11.187 -18.893 -4.303 33 HB2 ALA 8 2HB ALA 8 12.531 -19.565 -3.378 34 HB3 ALA 8 3HB ALA 8 11.613 -20.596 -4.477 35 H GLY 9 H GLY 9 9.610 -19.370 -0.442 36 HA2 GLY 9 1HA GLY 9 8.895 -16.854 -0.486 37 HA3 GLY 9 2HA GLY 9 7.745 -17.466 -1.665 38 H ASP 10 H ASP 10 7.463 -16.269 1.089 39 HA ASP 10 HA ASP 10 5.437 -18.124 2.000 40 HB2 ASP 10 1HB ASP 10 7.890 -17.483 3.622 41 HB3 ASP 10 2HB ASP 10 6.373 -17.930 4.397 42 HA PRO 11 HA PRO 11 3.873 -13.918 2.453 43 HB2 PRO 11 1HB PRO 11 1.266 -14.667 2.556 44 HB3 PRO 11 2HB PRO 11 2.164 -14.520 1.041 45 HG2 PRO 11 1HG PRO 11 1.532 -16.972 2.638 46 HG3 PRO 11 2HG PRO 11 1.460 -16.731 0.883 47 HD2 PRO 11 1HD PRO 11 3.528 -17.987 2.098 48 HD3 PRO 11 2HD PRO 11 3.733 -17.018 0.625 49 H GLY 12 H GLY 12 3.084 -16.755 4.400 50 HA2 GLY 12 1HA GLY 12 1.734 -15.525 6.505 51 HA3 GLY 12 2HA GLY 12 2.692 -16.992 6.648 52 H LEU 13 H LEU 13 5.084 -15.394 5.675 53 HA LEU 13 HA LEU 13 5.755 -14.277 8.305 54 HB2 LEU 13 1HB LEU 13 7.640 -14.994 6.070 55 HB3 LEU 13 2HB LEU 13 8.053 -14.629 7.744 56 HG LEU 13 HG LEU 13 6.656 -17.092 6.707 57 HD11 LEU 13 1HD1 LEU 13 9.356 -16.593 7.940 58 HD12 LEU 13 2HD1 LEU 13 9.001 -17.210 6.327 59 HD13 LEU 13 3HD1 LEU 13 8.649 -18.197 7.746 60 HD21 LEU 13 1HD2 LEU 13 7.391 -16.522 9.566 61 HD22 LEU 13 2HD2 LEU 13 6.418 -17.848 8.928 62 HD23 LEU 13 3HD2 LEU 13 5.784 -16.201 8.913 63 H VAL 14 H VAL 14 4.313 -12.978 5.945 64 HA VAL 14 HA VAL 14 6.102 -10.650 5.673 65 HB VAL 14 HB VAL 14 4.009 -11.694 3.768 66 HG11 VAL 14 1HG1 VAL 14 3.641 -9.413 3.612 67 HG12 VAL 14 2HG1 VAL 14 5.329 -9.014 3.935 68 HG13 VAL 14 3HG1 VAL 14 4.863 -9.683 2.371 69 HG21 VAL 14 1HG2 VAL 14 6.992 -11.331 3.610 70 HG22 VAL 14 2HG2 VAL 14 6.070 -12.828 3.475 71 HG23 VAL 14 3HG2 VAL 14 5.981 -11.619 2.194 72 H SER 15 H SER 15 5.388 -8.713 6.348 73 HA SER 15 HA SER 15 2.541 -8.286 6.813 74 HB2 SER 15 1HB SER 15 4.589 -7.856 9.001 75 HB3 SER 15 2HB SER 15 2.855 -7.552 9.111 76 HG SER 15 HG SER 15 2.657 -9.556 9.667 77 H ALA 16 H ALA 16 2.002 -6.034 7.185 78 HA ALA 16 HA ALA 16 4.096 -4.157 6.316 79 HB1 ALA 16 1HB ALA 16 2.644 -4.680 4.414 80 HB2 ALA 16 2HB ALA 16 1.240 -4.164 5.348 81 HB3 ALA 16 3HB ALA 16 2.486 -2.995 4.911 82 H TYR 17 H TYR 17 4.190 -2.264 7.399 83 HA TYR 17 HA TYR 17 1.972 -1.566 9.193 84 HB2 TYR 17 1HB TYR 17 3.609 -0.983 10.963 85 HB3 TYR 17 2HB TYR 17 3.609 -2.701 10.580 86 HD1 TYR 17 1HD TYR 17 5.414 0.466 9.808 87 HD2 TYR 17 2HD TYR 17 5.612 -3.776 10.074 88 HE1 TYR 17 1HE TYR 17 7.841 0.560 9.419 89 HE2 TYR 17 2HE TYR 17 8.040 -3.693 9.687 90 HH TYR 17 HH TYR 17 9.819 -2.388 9.428 91 H GLY 18 H GLY 18 1.584 0.598 9.435 92 HA2 GLY 18 1HA GLY 18 3.131 2.778 9.177 93 HA3 GLY 18 2HA GLY 18 2.866 2.336 7.497 94 HA PRO 19 HA PRO 19 -0.671 4.948 9.310 95 HB2 PRO 19 1HB PRO 19 -0.099 7.288 8.057 96 HB3 PRO 19 2HB PRO 19 0.527 6.877 9.658 97 HG2 PRO 19 1HG PRO 19 1.871 6.681 6.990 98 HG3 PRO 19 2HG PRO 19 2.523 7.271 8.530 99 HD2 PRO 19 1HD PRO 19 3.043 4.788 7.584 100 HD3 PRO 19 2HD PRO 19 2.926 5.143 9.319 101 H GLY 20 H GLY 20 0.797 4.486 6.172 102 HA2 GLY 20 1HA GLY 20 -1.408 5.407 4.618 103 HA3 GLY 20 2HA GLY 20 -0.085 4.400 4.048 104 H LEU 21 H LEU 21 -0.720 2.431 6.249 105 HA LEU 21 HA LEU 21 -2.651 0.912 4.715 106 HB2 LEU 21 1HB LEU 21 -1.229 0.134 7.253 107 HB3 LEU 21 2HB LEU 21 -2.066 -0.939 6.134 108 HG LEU 21 HG LEU 21 0.313 0.651 5.241 109 HD11 LEU 21 1HD1 LEU 21 1.701 -1.327 5.786 110 HD12 LEU 21 2HD1 LEU 21 0.339 -1.993 6.687 111 HD13 LEU 21 3HD1 LEU 21 1.089 -0.485 7.211 112 HD21 LEU 21 1HD2 LEU 21 -1.003 -0.416 3.519 113 HD22 LEU 21 2HD2 LEU 21 -0.929 -1.957 4.374 114 HD23 LEU 21 3HD2 LEU 21 0.539 -1.256 3.691 115 H GLU 22 H GLU 22 -2.512 2.713 7.680 116 HA GLU 22 HA GLU 22 -5.117 1.683 8.530 117 HB2 GLU 22 1HB GLU 22 -2.914 3.186 9.872 118 HB3 GLU 22 2HB GLU 22 -4.549 3.365 10.493 119 HG2 GLU 22 1HG GLU 22 -3.326 0.666 10.058 120 HG3 GLU 22 2HG GLU 22 -3.051 1.582 11.538 121 H GLY 23 H GLY 23 -3.683 4.362 6.953 122 HA2 GLY 23 1HA GLY 23 -5.165 5.834 5.711 123 HA3 GLY 23 2HA GLY 23 -6.267 5.783 7.079 124 H GLY 24 H GLY 24 -5.803 8.216 6.273 125 HA2 GLY 24 1HA GLY 24 -4.379 9.403 8.469 126 HA3 GLY 24 2HA GLY 24 -3.565 9.636 6.929 127 H THR 25 H THR 25 -3.926 11.615 6.200 128 HA THR 25 HA THR 25 -6.666 12.687 6.381 129 HB THR 25 HB THR 25 -4.120 14.309 6.551 130 HG1 THR 25 1HG THR 25 -6.009 13.952 8.631 131 HG21 THR 25 1HG2 THR 25 -5.634 15.811 5.701 132 HG22 THR 25 2HG2 THR 25 -5.967 15.983 7.424 133 HG23 THR 25 3HG2 THR 25 -7.018 14.987 6.417 134 H THR 26 H THR 26 -7.277 14.172 4.692 135 HA THR 26 HA THR 26 -6.495 13.288 2.117 136 HB THR 26 HB THR 26 -7.875 15.281 1.325 137 HG1 THR 26 1HG THR 26 -9.059 16.354 2.922 138 HG21 THR 26 1HG2 THR 26 -8.695 12.902 1.750 139 HG22 THR 26 2HG2 THR 26 -9.917 14.174 1.731 140 HG23 THR 26 3HG2 THR 26 -9.350 13.518 3.266 141 H GLY 27 H GLY 27 -5.291 14.284 0.519 142 HA2 GLY 27 1HA GLY 27 -3.688 15.651 -0.400 143 HA3 GLY 27 2HA GLY 27 -4.194 16.888 0.741 144 H VAL 28 H VAL 28 -3.307 13.963 2.217 145 HA VAL 28 HA VAL 28 -0.669 15.090 2.896 146 HB VAL 28 HB VAL 28 -2.565 13.450 4.571 147 HG11 VAL 28 1HG1 VAL 28 -0.798 13.523 6.320 148 HG12 VAL 28 2HG1 VAL 28 -0.377 12.523 4.927 149 HG13 VAL 28 3HG1 VAL 28 0.323 14.133 5.103 150 HG21 VAL 28 1HG2 VAL 28 -1.749 15.561 6.074 151 HG22 VAL 28 2HG2 VAL 28 -1.737 16.265 4.457 152 HG23 VAL 28 3HG2 VAL 28 -3.213 15.539 5.092 153 H SER 29 H SER 29 1.015 13.975 2.186 154 HA SER 29 HA SER 29 0.844 11.570 0.784 155 HB2 SER 29 1HB SER 29 3.308 11.504 0.948 156 HB3 SER 29 2HB SER 29 2.726 13.113 0.521 157 HG SER 29 HG SER 29 2.903 13.601 2.814 158 H SER 30 H SER 30 0.357 9.619 1.512 159 HA SER 30 HA SER 30 1.249 8.861 4.217 160 HB2 SER 30 1HB SER 30 -1.174 7.759 2.784 161 HB3 SER 30 2HB SER 30 -0.720 7.509 4.470 162 HG SER 30 HG SER 30 -0.976 9.839 4.701 163 H GLU 31 H GLU 31 2.545 7.147 4.374 164 HA GLU 31 HA GLU 31 2.628 5.225 2.152 165 HB2 GLU 31 1HB GLU 31 5.127 5.125 2.472 166 HB3 GLU 31 2HB GLU 31 4.521 6.610 1.751 167 HG2 GLU 31 1HG GLU 31 5.037 6.394 4.693 168 HG3 GLU 31 2HG GLU 31 6.319 6.794 3.551 169 H PHE 32 H PHE 32 4.198 3.329 2.901 170 HA PHE 32 HA PHE 32 4.078 2.709 5.704 171 HB2 PHE 32 1HB PHE 32 2.704 0.627 5.356 172 HB3 PHE 32 2HB PHE 32 1.806 2.134 5.213 173 HD1 PHE 32 1HD PHE 32 3.166 -0.742 3.403 174 HD2 PHE 32 2HD PHE 32 0.893 2.844 3.105 175 HE1 PHE 32 1HE PHE 32 2.372 -1.434 1.180 176 HE2 PHE 32 2HE PHE 32 0.095 2.158 0.882 177 HZ PHE 32 HZ PHE 32 0.833 0.016 -0.084 178 H ILE 33 H ILE 33 5.216 0.773 6.243 179 HA ILE 33 HA ILE 33 7.074 -0.060 4.123 180 HB ILE 33 HB ILE 33 7.346 -0.005 7.120 181 HG12 ILE 33 1HG1 ILE 33 8.981 1.183 4.867 182 HG13 ILE 33 2HG1 ILE 33 7.872 2.062 5.914 183 HG21 ILE 33 1HG2 ILE 33 9.618 -1.029 6.712 184 HG22 ILE 33 2HG2 ILE 33 8.241 -2.118 6.547 185 HG23 ILE 33 3HG2 ILE 33 9.032 -1.474 5.109 186 HD11 ILE 33 1HD1 ILE 33 9.643 2.516 7.169 187 HD12 ILE 33 2HD1 ILE 33 9.592 0.828 7.679 188 HD13 ILE 33 3HD1 ILE 33 10.633 1.314 6.342 189 H VAL 34 H VAL 34 7.134 -2.111 3.440 190 HA VAL 34 HA VAL 34 5.395 -4.055 4.798 191 HB VAL 34 HB VAL 34 6.467 -4.128 1.974 192 HG11 VAL 34 1HG1 VAL 34 4.203 -5.782 2.326 193 HG12 VAL 34 2HG1 VAL 34 5.858 -6.262 1.948 194 HG13 VAL 34 3HG1 VAL 34 5.332 -6.152 3.628 195 HG21 VAL 34 1HG2 VAL 34 4.906 -2.495 1.748 196 HG22 VAL 34 2HG2 VAL 34 3.827 -3.887 1.655 197 HG23 VAL 34 3HG2 VAL 34 4.002 -3.008 3.173 198 H ASN 35 H ASN 35 6.610 -5.122 6.257 199 HA ASN 35 HA ASN 35 9.358 -5.773 5.839 200 HB2 ASN 35 1HB ASN 35 8.839 -5.534 8.093 201 HB3 ASN 35 2HB ASN 35 7.321 -6.414 7.942 202 HD21 ASN 35 1HD2 ASN 35 10.720 -6.636 8.442 203 HD22 ASN 35 2HD2 ASN 35 10.775 -8.325 8.799 204 H THR 36 H THR 36 9.707 -7.074 4.106 205 HA THR 36 HA THR 36 8.270 -9.644 4.025 206 HB THR 36 HB THR 36 8.941 -9.785 1.653 207 HG1 THR 36 1HG THR 36 10.785 -8.491 1.649 208 HG21 THR 36 1HG2 THR 36 7.166 -7.756 2.779 209 HG22 THR 36 2HG2 THR 36 6.878 -8.919 1.485 210 HG23 THR 36 3HG2 THR 36 7.689 -7.394 1.135 211 H LEU 37 H LEU 37 11.139 -8.315 4.970 212 HA LEU 37 HA LEU 37 13.161 -9.901 3.989 213 HB2 LEU 37 1HB LEU 37 12.822 -8.961 6.833 214 HB3 LEU 37 2HB LEU 37 14.332 -9.499 6.100 215 HG LEU 37 HG LEU 37 12.845 -7.162 4.960 216 HD11 LEU 37 1HD1 LEU 37 13.104 -6.015 6.846 217 HD12 LEU 37 2HD1 LEU 37 14.843 -6.115 6.572 218 HD13 LEU 37 3HD1 LEU 37 14.041 -7.311 7.590 219 HD21 LEU 37 1HD2 LEU 37 15.656 -8.204 4.924 220 HD22 LEU 37 2HD2 LEU 37 15.299 -6.522 4.530 221 HD23 LEU 37 3HD2 LEU 37 14.593 -7.822 3.569 222 H ASN 38 H ASN 38 11.251 -10.552 6.932 223 HA ASN 38 HA ASN 38 12.279 -12.982 7.648 224 HB2 ASN 38 1HB ASN 38 9.590 -11.730 7.908 225 HB3 ASN 38 2HB ASN 38 9.719 -13.450 8.265 226 HD21 ASN 38 1HD2 ASN 38 12.429 -11.374 8.778 227 HD22 ASN 38 2HD2 ASN 38 12.357 -11.356 10.505 228 H ALA 39 H ALA 39 10.175 -12.260 4.964 229 HA ALA 39 HA ALA 39 9.359 -14.916 4.397 230 HB1 ALA 39 1HB ALA 39 8.130 -13.962 2.798 231 HB2 ALA 39 2HB ALA 39 8.702 -12.423 3.444 232 HB3 ALA 39 3HB ALA 39 9.529 -13.167 2.076 233 H GLY 40 H GLY 40 11.766 -12.838 2.762 234 HA2 GLY 40 1HA GLY 40 14.003 -13.994 2.500 235 HA3 GLY 40 2HA GLY 40 13.069 -15.307 1.799 236 H SER 41 H SER 41 11.944 -14.911 -0.209 237 HA SER 41 HA SER 41 12.634 -12.527 -1.702 238 HB2 SER 41 1HB SER 41 13.911 -15.177 -2.194 239 HB3 SER 41 2HB SER 41 13.457 -14.211 -3.598 240 HG SER 41 HG SER 41 14.611 -12.468 -2.244 241 H GLY 42 H GLY 42 11.326 -12.189 -3.502 242 HA2 GLY 42 1HA GLY 42 9.755 -13.895 -4.915 243 HA3 GLY 42 2HA GLY 42 8.824 -13.621 -3.450 244 H ALA 43 H ALA 43 7.569 -12.899 -5.632 245 HA ALA 43 HA ALA 43 8.130 -10.137 -6.316 246 HB1 ALA 43 1HB ALA 43 6.497 -12.300 -7.409 247 HB2 ALA 43 2HB ALA 43 5.725 -10.716 -7.481 248 HB3 ALA 43 3HB ALA 43 7.304 -10.961 -8.226 249 H LEU 44 H LEU 44 6.649 -8.410 -6.012 250 HA LEU 44 HA LEU 44 4.723 -8.837 -3.823 251 HB2 LEU 44 1HB LEU 44 6.557 -7.655 -2.895 252 HB3 LEU 44 2HB LEU 44 6.641 -6.566 -4.279 253 HG LEU 44 HG LEU 44 4.341 -5.730 -3.537 254 HD11 LEU 44 1HD1 LEU 44 4.943 -7.671 -1.440 255 HD12 LEU 44 2HD1 LEU 44 3.405 -6.952 -1.917 256 HD13 LEU 44 3HD1 LEU 44 4.486 -6.080 -0.830 257 HD21 LEU 44 1HD2 LEU 44 5.358 -4.009 -2.471 258 HD22 LEU 44 2HD2 LEU 44 6.806 -4.802 -3.091 259 HD23 LEU 44 3HD2 LEU 44 6.301 -5.067 -1.421 260 H SER 45 H SER 45 2.765 -7.796 -3.954 261 HA SER 45 HA SER 45 2.274 -6.138 -6.330 262 HB2 SER 45 1HB SER 45 0.779 -8.596 -5.457 263 HB3 SER 45 2HB SER 45 -0.031 -7.336 -6.388 264 HG SER 45 HG SER 45 2.338 -8.696 -7.165 265 H VAL 46 H VAL 46 1.732 -4.208 -5.560 266 HA VAL 46 HA VAL 46 -0.150 -4.086 -3.294 267 HB VAL 46 HB VAL 46 1.967 -2.036 -3.956 268 HG11 VAL 46 1HG1 VAL 46 -0.300 -2.130 -2.091 269 HG12 VAL 46 2HG1 VAL 46 1.227 -1.598 -1.384 270 HG13 VAL 46 3HG1 VAL 46 0.553 -0.747 -2.774 271 HG21 VAL 46 1HG2 VAL 46 3.383 -2.961 -2.435 272 HG22 VAL 46 2HG2 VAL 46 2.078 -3.647 -1.468 273 HG23 VAL 46 3HG2 VAL 46 2.568 -4.431 -2.969 274 H THR 47 H THR 47 -1.939 -2.863 -3.529 275 HA THR 47 HA THR 47 -2.115 -0.952 -5.728 276 HB THR 47 HB THR 47 -3.020 -2.714 -6.932 277 HG1 THR 47 1HG THR 47 -5.450 -2.443 -6.549 278 HG21 THR 47 1HG2 THR 47 -4.623 -3.677 -4.573 279 HG22 THR 47 2HG2 THR 47 -2.989 -4.252 -4.905 280 HG23 THR 47 3HG2 THR 47 -4.276 -4.524 -6.079 281 H ILE 48 H ILE 48 -4.291 0.209 -5.651 282 HA ILE 48 HA ILE 48 -5.302 0.413 -2.900 283 HB ILE 48 HB ILE 48 -4.292 2.669 -4.615 284 HG12 ILE 48 1HG1 ILE 48 -3.841 2.034 -1.693 285 HG13 ILE 48 2HG1 ILE 48 -2.772 1.504 -2.988 286 HG21 ILE 48 1HG2 ILE 48 -5.322 3.899 -2.411 287 HG22 ILE 48 2HG2 ILE 48 -6.102 3.830 -3.990 288 HG23 ILE 48 3HG2 ILE 48 -6.538 2.665 -2.740 289 HD11 ILE 48 1HD1 ILE 48 -1.801 3.431 -2.037 290 HD12 ILE 48 2HD1 ILE 48 -2.485 3.929 -3.585 291 HD13 ILE 48 3HD1 ILE 48 -3.328 4.311 -2.084 292 H ASP 49 H ASP 49 -7.460 0.737 -2.720 293 HA ASP 49 HA ASP 49 -8.976 1.351 -5.162 294 HB2 ASP 49 1HB ASP 49 -8.877 -1.167 -4.326 295 HB3 ASP 49 2HB ASP 49 -10.123 -0.599 -3.217 296 H GLY 50 H GLY 50 -9.617 3.378 -4.633 297 HA2 GLY 50 1HA GLY 50 -11.306 3.617 -2.228 298 HA3 GLY 50 2HA GLY 50 -10.086 4.832 -2.579 299 HA PRO 51 HA PRO 51 -14.167 6.088 -4.474 300 HB2 PRO 51 1HB PRO 51 -14.259 8.537 -3.306 301 HB3 PRO 51 2HB PRO 51 -14.912 7.083 -2.541 302 HG2 PRO 51 1HG PRO 51 -12.289 8.450 -2.079 303 HG3 PRO 51 2HG PRO 51 -13.422 7.771 -0.895 304 HD2 PRO 51 1HD PRO 51 -11.186 6.465 -1.687 305 HD3 PRO 51 2HD PRO 51 -12.676 5.616 -1.229 306 H SER 52 H SER 52 -10.958 7.322 -4.271 307 HA SER 52 HA SER 52 -11.307 8.638 -6.860 308 HB2 SER 52 1HB SER 52 -10.456 9.949 -4.324 309 HB3 SER 52 2HB SER 52 -9.618 10.416 -5.803 310 HG SER 52 HG SER 52 -11.814 11.422 -5.018 311 H LYS 53 H LYS 53 -9.679 8.251 -8.238 312 HA LYS 53 HA LYS 53 -7.756 6.302 -7.723 313 HB2 LYS 53 1HB LYS 53 -7.810 8.445 -9.854 314 HB3 LYS 53 2HB LYS 53 -6.693 7.086 -9.848 315 HG2 LYS 53 1HG LYS 53 -8.550 5.530 -10.016 316 HG3 LYS 53 2HG LYS 53 -9.696 6.872 -9.961 317 HD2 LYS 53 1HD LYS 53 -7.559 6.869 -12.044 318 HD3 LYS 53 2HD LYS 53 -8.965 5.823 -12.254 319 HE2 LYS 53 1HE LYS 53 -10.418 7.593 -12.454 320 HE3 LYS 53 2HE LYS 53 -9.391 8.680 -11.522 321 HZ1 LYS 53 1HZ LYS 53 -9.416 9.279 -13.859 322 HZ2 LYS 53 2HZ LYS 53 -8.853 7.742 -14.288 323 HZ3 LYS 53 3HZ LYS 53 -7.866 8.785 -13.394 324 H VAL 54 H VAL 54 -5.998 6.375 -6.504 325 HA VAL 54 HA VAL 54 -4.765 8.974 -5.928 326 HB VAL 54 HB VAL 54 -3.748 7.971 -4.010 327 HG11 VAL 54 1HG1 VAL 54 -6.008 8.639 -3.627 328 HG12 VAL 54 2HG1 VAL 54 -6.628 7.140 -4.323 329 HG13 VAL 54 3HG1 VAL 54 -5.754 7.108 -2.791 330 HG21 VAL 54 1HG2 VAL 54 -4.832 5.336 -5.002 331 HG22 VAL 54 2HG2 VAL 54 -3.137 5.826 -4.997 332 HG23 VAL 54 3HG2 VAL 54 -3.993 5.593 -3.472 333 H GLN 55 H GLN 55 -2.495 9.248 -6.037 334 HA GLN 55 HA GLN 55 -1.235 7.538 -8.058 335 HB2 GLN 55 1HB GLN 55 -1.444 10.105 -8.274 336 HB3 GLN 55 2HB GLN 55 -0.145 10.167 -7.090 337 HG2 GLN 55 1HG GLN 55 1.371 9.108 -8.540 338 HG3 GLN 55 2HG GLN 55 0.087 8.600 -9.637 339 HE21 GLN 55 1HE2 GLN 55 1.848 9.677 -11.035 340 HE22 GLN 55 2HE2 GLN 55 1.585 11.345 -11.397 341 H LEU 56 H LEU 56 -0.473 5.833 -6.845 342 HA LEU 56 HA LEU 56 1.111 6.309 -4.472 343 HB2 LEU 56 1HB LEU 56 1.113 3.998 -4.160 344 HB3 LEU 56 2HB LEU 56 -0.469 4.352 -4.850 345 HG LEU 56 HG LEU 56 0.812 3.737 -7.101 346 HD11 LEU 56 1HD1 LEU 56 2.079 1.663 -5.449 347 HD12 LEU 56 2HD1 LEU 56 2.826 3.258 -5.364 348 HD13 LEU 56 3HD1 LEU 56 2.646 2.451 -6.921 349 HD21 LEU 56 1HD2 LEU 56 0.138 1.270 -5.756 350 HD22 LEU 56 2HD2 LEU 56 -0.673 2.081 -7.096 351 HD23 LEU 56 3HD2 LEU 56 -1.056 2.529 -5.433 352 H ASP 57 H ASP 57 3.295 5.472 -4.234 353 HA ASP 57 HA ASP 57 4.806 5.303 -6.746 354 HB2 ASP 57 1HB ASP 57 4.840 7.625 -5.552 355 HB3 ASP 57 2HB ASP 57 5.930 6.829 -4.420 356 H CYS 58 H CYS 58 6.054 3.561 -6.792 357 HA CYS 58 HA CYS 58 6.504 2.059 -4.345 358 HB2 CYS 58 1HB CYS 58 7.289 0.276 -5.810 359 HB3 CYS 58 2HB CYS 58 5.742 0.891 -6.380 360 HG CYS 58 HG CYS 58 7.796 0.213 -8.406 361 H ARG 59 H ARG 59 8.347 2.043 -3.235 362 HA ARG 59 HA ARG 59 10.817 2.915 -4.564 363 HB2 ARG 59 1HB ARG 59 9.579 4.017 -2.070 364 HB3 ARG 59 2HB ARG 59 11.330 3.996 -2.231 365 HG2 ARG 59 1HG ARG 59 10.791 5.126 -4.548 366 HG3 ARG 59 2HG ARG 59 9.305 5.582 -3.713 367 HD2 ARG 59 1HD ARG 59 11.911 6.010 -2.337 368 HD3 ARG 59 2HD ARG 59 11.450 7.112 -3.635 369 HE ARG 59 HE ARG 59 10.269 6.921 -1.011 370 HH11 ARG 59 1HH1 ARG 59 9.854 7.993 -4.297 371 HH12 ARG 59 2HH1 ARG 59 8.657 9.180 -3.896 372 HH21 ARG 59 1HH2 ARG 59 8.694 8.480 -0.470 373 HH22 ARG 59 2HH2 ARG 59 7.999 9.457 -1.719 374 H GLU 60 H GLU 60 12.724 2.544 -2.905 375 HA GLU 60 HA GLU 60 12.430 -0.225 -1.969 376 HB2 GLU 60 1HB GLU 60 14.823 -0.438 -2.219 377 HB3 GLU 60 2HB GLU 60 14.146 0.212 -3.705 378 HG2 GLU 60 1HG GLU 60 14.744 2.510 -2.547 379 HG3 GLU 60 2HG GLU 60 15.911 1.497 -1.700 380 H CYS 61 H CYS 61 13.230 -0.859 0.052 381 HA CYS 61 HA CYS 61 14.133 1.219 1.888 382 HB2 CYS 61 1HB CYS 61 12.465 0.592 3.590 383 HB3 CYS 61 2HB CYS 61 11.705 1.247 2.144 384 HG CYS 61 HG CYS 61 10.132 -0.842 3.165 385 HA PRO 62 HA PRO 62 16.712 -1.975 3.441 386 HB2 PRO 62 1HB PRO 62 17.053 -1.151 6.005 387 HB3 PRO 62 2HB PRO 62 17.806 -0.339 4.628 388 HG2 PRO 62 1HG PRO 62 15.332 0.402 6.141 389 HG3 PRO 62 2HG PRO 62 16.644 1.445 5.563 390 HD2 PRO 62 1HD PRO 62 14.280 1.221 4.261 391 HD3 PRO 62 2HD PRO 62 15.813 1.513 3.414 392 H GLU 63 H GLU 63 13.533 -1.630 4.385 393 HA GLU 63 HA GLU 63 13.663 -3.927 6.220 394 HB2 GLU 63 1HB GLU 63 11.561 -1.792 5.857 395 HB3 GLU 63 2HB GLU 63 11.315 -3.230 6.838 396 HG2 GLU 63 1HG GLU 63 13.696 -1.533 7.372 397 HG3 GLU 63 2HG GLU 63 12.112 -0.968 7.900 398 H GLY 64 H GLY 64 12.807 -2.994 3.082 399 HA2 GLY 64 1HA GLY 64 12.316 -5.326 1.922 400 HA3 GLY 64 2HA GLY 64 10.790 -5.077 2.757 401 H HIS 65 H HIS 65 9.338 -3.570 1.997 402 HA HIS 65 HA HIS 65 10.103 -2.039 -0.386 403 HB2 HIS 65 1HB HIS 65 7.822 -3.990 -0.151 404 HB3 HIS 65 2HB HIS 65 7.785 -2.672 -1.318 405 HD1 HIS 65 1HD HIS 65 9.356 -2.843 -3.350 406 HD2 HIS 65 2HD HIS 65 9.635 -6.055 -0.730 407 HE1 HIS 65 1HE HIS 65 10.672 -4.599 -4.578 408 HE2 HIS 65 2HE HIS 65 10.754 -6.565 -3.005 409 H VAL 66 H VAL 66 9.185 -0.051 -0.544 410 HA VAL 66 HA VAL 66 7.165 0.664 1.481 411 HB VAL 66 HB VAL 66 9.442 1.561 2.017 412 HG11 VAL 66 1HG1 VAL 66 9.520 2.153 -0.687 413 HG12 VAL 66 2HG1 VAL 66 9.320 3.724 0.092 414 HG13 VAL 66 3HG1 VAL 66 10.673 2.684 0.537 415 HG21 VAL 66 1HG2 VAL 66 8.506 3.363 2.989 416 HG22 VAL 66 2HG2 VAL 66 7.878 3.989 1.465 417 HG23 VAL 66 3HG2 VAL 66 7.010 2.713 2.319 418 H VAL 67 H VAL 67 5.496 1.946 0.831 419 HA VAL 67 HA VAL 67 5.535 2.954 -1.931 420 HB VAL 67 HB VAL 67 3.219 1.494 -0.652 421 HG11 VAL 67 1HG1 VAL 67 1.996 2.734 -2.054 422 HG12 VAL 67 2HG1 VAL 67 3.416 3.294 -2.939 423 HG13 VAL 67 3HG1 VAL 67 2.687 1.737 -3.333 424 HG21 VAL 67 1HG2 VAL 67 3.782 -0.372 -1.797 425 HG22 VAL 67 2HG2 VAL 67 4.439 0.530 -3.163 426 HG23 VAL 67 3HG2 VAL 67 5.400 0.322 -1.699 427 H THR 68 H THR 68 4.818 4.982 -2.154 428 HA THR 68 HA THR 68 3.405 6.202 0.129 429 HB THR 68 HB THR 68 5.207 7.684 -1.786 430 HG1 THR 68 1HG THR 68 6.779 6.780 -0.697 431 HG21 THR 68 1HG2 THR 68 5.212 9.210 0.349 432 HG22 THR 68 2HG2 THR 68 3.701 8.372 0.700 433 HG23 THR 68 3HG2 THR 68 3.875 9.287 -0.798 434 H TYR 69 H TYR 69 1.542 7.249 -0.266 435 HA TYR 69 HA TYR 69 0.854 7.939 -3.030 436 HB2 TYR 69 1HB TYR 69 -1.243 6.848 -2.971 437 HB3 TYR 69 2HB TYR 69 -0.092 5.667 -2.355 438 HD1 TYR 69 1HD TYR 69 -2.516 8.254 -1.199 439 HD2 TYR 69 2HD TYR 69 -0.503 4.608 -0.325 440 HE1 TYR 69 1HE TYR 69 -3.879 7.995 0.831 441 HE2 TYR 69 2HE TYR 69 -1.862 4.338 1.707 442 HH TYR 69 HH TYR 69 -3.860 5.069 2.697 443 H THR 70 H THR 70 -1.143 9.315 -3.120 444 HA THR 70 HA THR 70 -1.410 10.974 -0.701 445 HB THR 70 HB THR 70 -1.327 12.031 -3.533 446 HG1 THR 70 1HG THR 70 0.670 13.036 -2.577 447 HG21 THR 70 1HG2 THR 70 -0.881 14.061 -1.644 448 HG22 THR 70 2HG2 THR 70 -2.263 13.140 -1.050 449 HG23 THR 70 3HG2 THR 70 -2.300 13.840 -2.667 450 HA PRO 71 HA PRO 71 -5.701 9.987 -1.389 451 HB2 PRO 71 1HB PRO 71 -6.652 11.400 0.725 452 HB3 PRO 71 2HB PRO 71 -5.870 9.824 0.897 453 HG2 PRO 71 1HG PRO 71 -4.727 12.561 1.307 454 HG3 PRO 71 2HG PRO 71 -4.518 11.102 2.293 455 HD2 PRO 71 1HD PRO 71 -2.650 11.944 0.524 456 HD3 PRO 71 2HD PRO 71 -2.918 10.226 0.884 457 H MET 72 H MET 72 -7.475 11.015 -2.264 458 HA MET 72 HA MET 72 -7.230 13.916 -2.708 459 HB2 MET 72 1HB MET 72 -8.478 12.040 -4.703 460 HB3 MET 72 2HB MET 72 -7.955 13.701 -4.946 461 HG2 MET 72 1HG MET 72 -6.090 11.411 -4.380 462 HG3 MET 72 2HG MET 72 -6.491 11.991 -5.994 463 HE1 MET 72 1HE MET 72 -6.592 15.345 -5.104 464 HE2 MET 72 2HE MET 72 -5.080 15.610 -5.972 465 HE3 MET 72 3HE MET 72 -6.293 14.510 -6.628 466 H ALA 73 H ALA 73 -9.001 11.521 -1.298 467 HA ALA 73 HA ALA 73 -11.201 13.252 -0.749 468 HB1 ALA 73 1HB ALA 73 -12.977 12.018 -1.780 469 HB2 ALA 73 2HB ALA 73 -11.797 12.436 -3.023 470 HB3 ALA 73 3HB ALA 73 -11.850 10.797 -2.372 471 HA PRO 74 HA PRO 74 -11.284 10.707 2.837 472 HB2 PRO 74 1HB PRO 74 -13.786 11.258 3.736 473 HB3 PRO 74 2HB PRO 74 -12.450 12.411 3.844 474 HG2 PRO 74 1HG PRO 74 -14.664 12.261 1.835 475 HG3 PRO 74 2HG PRO 74 -13.987 13.683 2.650 476 HD2 PRO 74 1HD PRO 74 -13.318 13.000 0.116 477 HD3 PRO 74 2HD PRO 74 -12.182 13.799 1.222 478 H GLY 75 H GLY 75 -11.395 8.553 2.742 479 HA2 GLY 75 1HA GLY 75 -13.851 7.162 2.634 480 HA3 GLY 75 2HA GLY 75 -13.062 7.067 1.066 481 H ASN 76 H ASN 76 -13.234 4.713 1.761 482 HA ASN 76 HA ASN 76 -10.967 3.961 3.477 483 HB2 ASN 76 1HB ASN 76 -13.105 2.061 2.545 484 HB3 ASN 76 2HB ASN 76 -12.057 1.936 3.955 485 HD21 ASN 76 1HD2 ASN 76 -14.914 3.377 2.622 486 HD22 ASN 76 2HD2 ASN 76 -15.551 3.983 4.109 487 H TYR 77 H TYR 77 -9.269 4.040 2.054 488 HA TYR 77 HA TYR 77 -9.417 2.873 -0.564 489 HB2 TYR 77 1HB TYR 77 -7.081 3.913 1.048 490 HB3 TYR 77 2HB TYR 77 -6.958 3.348 -0.614 491 HD1 TYR 77 1HD TYR 77 -8.315 5.981 1.571 492 HD2 TYR 77 2HD TYR 77 -7.729 4.697 -2.443 493 HE1 TYR 77 1HE TYR 77 -8.911 8.230 0.771 494 HE2 TYR 77 2HE TYR 77 -8.322 6.942 -3.254 495 HH TYR 77 HH TYR 77 -8.474 9.635 -1.264 496 H LEU 78 H LEU 78 -9.581 0.734 -0.755 497 HA LEU 78 HA LEU 78 -8.523 -1.093 1.172 498 HB2 LEU 78 1HB LEU 78 -10.572 -1.389 -0.328 499 HB3 LEU 78 2HB LEU 78 -9.427 -1.805 -1.601 500 HG LEU 78 HG LEU 78 -10.405 -3.792 -0.565 501 HD11 LEU 78 1HD1 LEU 78 -7.491 -3.494 0.142 502 HD12 LEU 78 2HD1 LEU 78 -8.106 -3.832 -1.476 503 HD13 LEU 78 3HD1 LEU 78 -8.359 -4.996 -0.176 504 HD21 LEU 78 1HD2 LEU 78 -10.398 -4.246 1.664 505 HD22 LEU 78 2HD2 LEU 78 -10.447 -2.484 1.744 506 HD23 LEU 78 3HD2 LEU 78 -8.917 -3.335 1.960 507 H ILE 79 H ILE 79 -6.414 -1.460 1.350 508 HA ILE 79 HA ILE 79 -4.702 -1.306 -1.011 509 HB ILE 79 HB ILE 79 -4.078 -1.483 1.932 510 HG12 ILE 79 1HG1 ILE 79 -3.125 0.648 0.057 511 HG13 ILE 79 2HG1 ILE 79 -4.789 0.694 0.629 512 HG21 ILE 79 1HG2 ILE 79 -2.219 -1.642 -0.428 513 HG22 ILE 79 2HG2 ILE 79 -1.685 -1.215 1.196 514 HG23 ILE 79 3HG2 ILE 79 -2.401 -2.798 0.891 515 HD11 ILE 79 1HD1 ILE 79 -2.312 1.347 2.010 516 HD12 ILE 79 2HD1 ILE 79 -3.969 1.857 2.338 517 HD13 ILE 79 3HD1 ILE 79 -3.388 0.305 2.942 518 H ALA 80 H ALA 80 -4.430 -3.101 -2.152 519 HA ALA 80 HA ALA 80 -4.682 -5.708 -0.865 520 HB1 ALA 80 1HB ALA 80 -5.319 -6.517 -2.863 521 HB2 ALA 80 2HB ALA 80 -5.590 -4.819 -3.254 522 HB3 ALA 80 3HB ALA 80 -4.090 -5.607 -3.741 523 H ILE 81 H ILE 81 -2.903 -6.520 0.025 524 HA ILE 81 HA ILE 81 -0.332 -6.119 -1.361 525 HB ILE 81 HB ILE 81 -0.905 -6.477 1.578 526 HG12 ILE 81 1HG1 ILE 81 0.701 -4.303 0.252 527 HG13 ILE 81 2HG1 ILE 81 -1.050 -4.193 0.384 528 HG21 ILE 81 1HG2 ILE 81 1.028 -7.849 0.886 529 HG22 ILE 81 2HG2 ILE 81 1.793 -6.400 0.235 530 HG23 ILE 81 3HG2 ILE 81 1.479 -6.529 1.965 531 HD11 ILE 81 1HD1 ILE 81 0.216 -4.861 2.907 532 HD12 ILE 81 2HD1 ILE 81 0.778 -3.329 2.239 533 HD13 ILE 81 3HD1 ILE 81 -0.943 -3.591 2.518 534 H LYS 82 H LYS 82 0.500 -7.868 -2.269 535 HA LYS 82 HA LYS 82 -0.067 -10.497 -1.072 536 HB2 LYS 82 1HB LYS 82 0.038 -9.887 -4.032 537 HB3 LYS 82 2HB LYS 82 -0.226 -11.469 -3.312 538 HG2 LYS 82 1HG LYS 82 -2.276 -10.417 -2.201 539 HG3 LYS 82 2HG LYS 82 -2.063 -9.103 -3.359 540 HD2 LYS 82 1HD LYS 82 -1.953 -11.085 -5.087 541 HD3 LYS 82 2HD LYS 82 -2.835 -11.946 -3.823 542 HE2 LYS 82 1HE LYS 82 -4.641 -10.451 -3.916 543 HE3 LYS 82 2HE LYS 82 -3.707 -9.243 -4.798 544 HZ1 LYS 82 1HZ LYS 82 -4.541 -10.089 -6.651 545 HZ2 LYS 82 2HZ LYS 82 -5.289 -11.355 -5.815 546 HZ3 LYS 82 3HZ LYS 82 -3.696 -11.526 -6.358 547 H TYR 83 H TYR 83 1.516 -12.172 -1.679 548 HA TYR 83 HA TYR 83 4.041 -11.369 -2.780 549 HB2 TYR 83 1HB TYR 83 3.973 -10.542 -0.325 550 HB3 TYR 83 2HB TYR 83 4.144 -12.243 0.095 551 HD1 TYR 83 2HD TYR 83 5.744 -9.611 -2.013 552 HD2 TYR 83 1HD TYR 83 6.270 -13.147 0.293 553 HE1 TYR 83 2HE TYR 83 8.179 -9.430 -2.303 554 HE2 TYR 83 1HE TYR 83 8.707 -12.976 0.010 555 HH TYR 83 HH TYR 83 10.332 -11.973 -1.391 556 H GLY 84 H GLY 84 5.189 -13.095 -3.508 557 HA2 GLY 84 1HA GLY 84 5.278 -15.267 -4.345 558 HA3 GLY 84 2HA GLY 84 5.539 -15.592 -2.637 559 H GLY 85 H GLY 85 2.619 -14.592 -4.412 560 HA2 GLY 85 1HA GLY 85 1.321 -17.021 -4.569 561 HA3 GLY 85 2HA GLY 85 0.982 -16.418 -2.954 562 HA PRO 86 HA PRO 86 -1.640 -14.369 -6.446 563 HB2 PRO 86 1HB PRO 86 -3.699 -16.122 -6.686 564 HB3 PRO 86 2HB PRO 86 -2.255 -16.191 -7.703 565 HG2 PRO 86 1HG PRO 86 -2.940 -17.800 -5.274 566 HG3 PRO 86 2HG PRO 86 -2.221 -18.335 -6.804 567 HD2 PRO 86 1HD PRO 86 -0.747 -17.904 -4.574 568 HD3 PRO 86 2HD PRO 86 -0.112 -17.622 -6.208 569 H GLN 87 H GLN 87 -2.144 -15.869 -3.390 570 HA GLN 87 HA GLN 87 -4.645 -14.462 -2.899 571 HB2 GLN 87 1HB GLN 87 -3.029 -16.394 -1.237 572 HB3 GLN 87 2HB GLN 87 -4.481 -15.597 -0.647 573 HG2 GLN 87 1HG GLN 87 -5.662 -16.597 -2.661 574 HG3 GLN 87 2HG GLN 87 -4.227 -17.602 -2.862 575 HE21 GLN 87 1HE2 GLN 87 -7.216 -17.765 -1.805 576 HE22 GLN 87 2HE2 GLN 87 -7.054 -18.867 -0.485 577 H HIS 88 H HIS 88 -4.731 -13.507 -0.534 578 HA HIS 88 HA HIS 88 -2.783 -11.363 -0.512 579 HB2 HIS 88 1HB HIS 88 -5.242 -11.886 1.166 580 HB3 HIS 88 2HB HIS 88 -4.212 -10.470 1.350 581 HD1 HIS 88 1HD HIS 88 -5.485 -8.571 0.407 582 HD2 HIS 88 2HD HIS 88 -5.769 -11.960 -1.979 583 HE1 HIS 88 1HE HIS 88 -6.789 -7.857 -1.621 584 HE2 HIS 88 2HE HIS 88 -7.022 -9.945 -3.010 585 H ILE 89 H ILE 89 -1.597 -10.741 1.387 586 HA ILE 89 HA ILE 89 -0.399 -12.995 2.700 587 HB ILE 89 HB ILE 89 1.063 -11.365 3.782 588 HG12 ILE 89 1HG1 ILE 89 -0.268 -9.130 2.302 589 HG13 ILE 89 2HG1 ILE 89 -0.932 -9.646 3.848 590 HG21 ILE 89 1HG2 ILE 89 0.652 -11.517 0.893 591 HG22 ILE 89 2HG2 ILE 89 1.563 -10.100 1.413 592 HG23 ILE 89 3HG2 ILE 89 2.124 -11.716 1.842 593 HD11 ILE 89 1HD1 ILE 89 0.480 -8.088 4.638 594 HD12 ILE 89 2HD1 ILE 89 1.653 -9.400 4.518 595 HD13 ILE 89 3HD1 ILE 89 1.549 -8.190 3.239 596 H VAL 90 H VAL 90 -0.122 -13.132 5.045 597 HA VAL 90 HA VAL 90 -2.496 -13.285 6.439 598 HB VAL 90 HB VAL 90 -0.655 -14.481 7.309 599 HG11 VAL 90 1HG1 VAL 90 0.999 -12.318 8.301 600 HG12 VAL 90 2HG1 VAL 90 1.445 -13.735 7.348 601 HG13 VAL 90 3HG1 VAL 90 0.848 -12.283 6.544 602 HG21 VAL 90 1HG2 VAL 90 -0.956 -14.119 9.538 603 HG22 VAL 90 2HG2 VAL 90 -0.742 -12.374 9.399 604 HG23 VAL 90 3HG2 VAL 90 -2.267 -13.116 8.919 605 H GLY 91 H GLY 91 -3.853 -11.599 6.646 606 HA2 GLY 91 1HA GLY 91 -4.262 -9.788 8.318 607 HA3 GLY 91 2HA GLY 91 -2.743 -9.098 7.765 608 H SER 92 H SER 92 -3.186 -9.643 4.969 609 HA SER 92 HA SER 92 -4.740 -7.316 4.342 610 HB2 SER 92 1HB SER 92 -3.016 -9.217 2.841 611 HB3 SER 92 2HB SER 92 -4.233 -8.339 1.915 612 HG SER 92 HG SER 92 -2.865 -6.755 1.956 613 HA PRO 93 HA PRO 93 -5.484 -6.801 2.021 614 HB2 PRO 93 1HB PRO 93 -7.810 -5.438 1.701 615 HB3 PRO 93 2HB PRO 93 -7.269 -6.691 0.578 616 HG2 PRO 93 1HG PRO 93 -9.254 -6.877 2.811 617 HG3 PRO 93 2HG PRO 93 -9.347 -7.549 1.173 618 HD2 PRO 93 1HD PRO 93 -8.659 -9.044 3.323 619 HD3 PRO 93 2HD PRO 93 -8.009 -9.350 1.699 620 H PHE 94 H PHE 94 -5.562 -4.466 2.585 621 HA PHE 94 HA PHE 94 -6.126 -4.106 5.454 622 HB2 PHE 94 1HB PHE 94 -3.939 -2.960 3.720 623 HB3 PHE 94 2HB PHE 94 -4.329 -2.307 5.307 624 HD1 PHE 94 2HD PHE 94 -4.009 -3.702 7.326 625 HD2 PHE 94 1HD PHE 94 -2.702 -4.962 3.477 626 HE1 PHE 94 2HE PHE 94 -2.548 -5.380 8.376 627 HE2 PHE 94 1HE PHE 94 -1.239 -6.643 4.520 628 HZ PHE 94 HZ PHE 94 -1.160 -6.853 6.973 629 H LYS 95 H LYS 95 -7.574 -2.616 5.995 630 HA LYS 95 HA LYS 95 -8.666 -0.891 3.917 631 HB2 LYS 95 1HB LYS 95 -10.056 -2.293 5.568 632 HB3 LYS 95 2HB LYS 95 -9.641 -1.068 6.760 633 HG2 LYS 95 1HG LYS 95 -10.939 0.532 5.774 634 HG3 LYS 95 2HG LYS 95 -10.798 -0.185 4.168 635 HD2 LYS 95 1HD LYS 95 -12.269 -1.599 6.364 636 HD3 LYS 95 2HD LYS 95 -13.059 -0.345 5.405 637 HE2 LYS 95 1HE LYS 95 -11.599 -2.516 3.985 638 HE3 LYS 95 2HE LYS 95 -13.162 -2.890 4.709 639 HZ1 LYS 95 1HZ LYS 95 -12.917 -0.499 3.026 640 HZ2 LYS 95 2HZ LYS 95 -14.258 -1.494 3.290 641 HZ3 LYS 95 3HZ LYS 95 -13.007 -2.013 2.277 642 H ALA 96 H ALA 96 -8.187 1.195 3.723 643 HA ALA 96 HA ALA 96 -6.908 2.552 6.007 644 HB1 ALA 96 1HB ALA 96 -5.531 3.788 4.502 645 HB2 ALA 96 2HB ALA 96 -5.389 2.083 4.076 646 HB3 ALA 96 3HB ALA 96 -6.395 3.154 3.101 647 H LYS 97 H LYS 97 -8.240 3.999 6.859 648 HA LYS 97 HA LYS 97 -10.232 5.308 5.157 649 HB2 LYS 97 1HB LYS 97 -11.151 4.294 7.134 650 HB3 LYS 97 2HB LYS 97 -9.962 5.088 8.157 651 HG2 LYS 97 1HG LYS 97 -11.746 6.441 8.531 652 HG3 LYS 97 2HG LYS 97 -11.050 7.264 7.133 653 HD2 LYS 97 1HD LYS 97 -12.607 5.656 5.781 654 HD3 LYS 97 2HD LYS 97 -13.485 5.541 7.308 655 HE2 LYS 97 1HE LYS 97 -13.702 7.985 7.352 656 HE3 LYS 97 2HE LYS 97 -12.842 8.085 5.816 657 HZ1 LYS 97 1HZ LYS 97 -15.475 8.016 5.980 658 HZ2 LYS 97 2HZ LYS 97 -15.182 6.352 5.894 659 HZ3 LYS 97 3HZ LYS 97 -14.630 7.373 4.662 660 H VAL 98 H VAL 98 -10.047 7.368 4.560 661 HA VAL 98 HA VAL 98 -7.939 8.991 5.822 662 HB VAL 98 HB VAL 98 -9.143 9.192 3.059 663 HG11 VAL 98 1HG1 VAL 98 -8.032 11.242 4.629 664 HG12 VAL 98 2HG1 VAL 98 -6.807 10.806 3.436 665 HG13 VAL 98 3HG1 VAL 98 -8.420 11.286 2.910 666 HG21 VAL 98 1HG2 VAL 98 -6.803 8.705 2.354 667 HG22 VAL 98 2HG2 VAL 98 -6.406 8.396 4.044 668 HG23 VAL 98 3HG2 VAL 98 -7.581 7.377 3.214 669 H THR 99 H THR 99 -8.406 10.937 6.697 670 HA THR 99 HA THR 99 -11.240 11.720 6.746 671 HB THR 99 HB THR 99 -10.365 11.284 8.955 672 HG1 THR 99 1HG THR 99 -11.772 13.003 8.958 673 HG21 THR 99 1HG2 THR 99 -8.034 12.673 7.914 674 HG22 THR 99 2HG2 THR 99 -8.171 11.573 9.285 675 HG23 THR 99 3HG2 THR 99 -8.527 13.288 9.491 676 H GLY 100 H GLY 100 -11.708 14.056 6.829 677 HA2 GLY 100 1HA GLY 100 -10.980 16.324 6.424 678 HA3 GLY 100 2HA GLY 100 -9.684 15.678 5.428 679 HA PRO 101 HA PRO 101 -13.528 16.902 2.909 680 HB2 PRO 101 1HB PRO 101 -12.551 19.177 1.797 681 HB3 PRO 101 2HB PRO 101 -13.451 19.161 3.317 682 HG2 PRO 101 1HG PRO 101 -10.494 19.275 2.869 683 HG3 PRO 101 2HG PRO 101 -11.487 20.187 4.021 684 HD2 PRO 101 1HD PRO 101 -10.038 18.018 4.745 685 HD3 PRO 101 2HD PRO 101 -11.579 18.438 5.519 686 H ARG 102 H ARG 102 -13.497 17.325 0.482 687 HA ARG 102 HA ARG 102 -11.608 15.511 -0.715 688 HB2 ARG 102 1HB ARG 102 -14.076 16.926 -1.596 689 HB3 ARG 102 2HB ARG 102 -12.951 16.393 -2.838 690 HG2 ARG 102 1HG ARG 102 -13.086 14.121 -1.526 691 HG3 ARG 102 2HG ARG 102 -14.624 14.791 -0.976 692 HD2 ARG 102 1HD ARG 102 -14.931 15.298 -3.543 693 HD3 ARG 102 2HD ARG 102 -13.764 13.987 -3.712 694 HE ARG 102 HE ARG 102 -15.634 12.976 -2.022 695 HH11 ARG 102 1HH1 ARG 102 -15.756 14.446 -5.175 696 HH12 ARG 102 2HH1 ARG 102 -17.150 13.550 -5.682 697 HH21 ARG 102 1HH2 ARG 102 -17.469 11.791 -2.678 698 HH22 ARG 102 2HH2 ARG 102 -18.124 12.041 -4.260 699 H LEU 103 H LEU 103 -9.594 16.323 -0.916 700 HA LEU 103 HA LEU 103 -9.241 19.025 -1.979 701 HB2 LEU 103 1HB LEU 103 -7.452 17.079 -0.577 702 HB3 LEU 103 2HB LEU 103 -6.766 18.413 -1.502 703 HG LEU 103 HG LEU 103 -8.803 18.988 0.605 704 HD11 LEU 103 1HD1 LEU 103 -5.869 18.596 1.164 705 HD12 LEU 103 2HD1 LEU 103 -7.140 17.464 1.627 706 HD13 LEU 103 3HD1 LEU 103 -7.115 19.090 2.310 707 HD21 LEU 103 1HD2 LEU 103 -7.617 21.078 0.750 708 HD22 LEU 103 2HD2 LEU 103 -7.988 20.743 -0.941 709 HD23 LEU 103 3HD2 LEU 103 -6.355 20.481 -0.328 710 H SER 104 H SER 104 -9.848 18.595 -4.138 711 HA SER 104 HA SER 104 -7.694 17.421 -5.715 712 HB2 SER 104 1HB SER 104 -9.352 16.182 -7.131 713 HB3 SER 104 2HB SER 104 -9.199 15.546 -5.493 714 HG SER 104 HG SER 104 -11.408 16.033 -6.524 715 H GLY 105 H GLY 105 -7.278 18.551 -7.524 716 HA2 GLY 105 1HA GLY 105 -7.426 20.191 -9.123 717 HA3 GLY 105 2HA GLY 105 -9.161 19.916 -9.092 718 H SER 106 H SER 106 -7.021 22.284 -8.906 719 HA SER 106 HA SER 106 -7.971 23.709 -6.592 720 HB2 SER 106 1HB SER 106 -5.709 24.134 -7.228 721 HB3 SER 106 2HB SER 106 -6.172 24.481 -8.894 722 HG SER 106 HG SER 106 -6.367 26.472 -8.288 723 H GLY 107 H GLY 107 -9.964 24.518 -6.563 724 HA2 GLY 107 1HA GLY 107 -11.450 25.124 -8.918 725 HA3 GLY 107 2HA GLY 107 -11.929 25.487 -7.267 726 HA PRO 108 HA PRO 108 -10.243 29.268 -9.735 727 HB2 PRO 108 1HB PRO 108 -12.496 30.153 -10.964 728 HB3 PRO 108 2HB PRO 108 -11.355 29.044 -11.733 729 HG2 PRO 108 1HG PRO 108 -13.952 28.445 -10.371 730 HG3 PRO 108 2HG PRO 108 -13.306 27.788 -11.886 731 HD2 PRO 108 1HD PRO 108 -13.195 26.432 -9.546 732 HD3 PRO 108 2HD PRO 108 -11.946 26.278 -10.798 733 H SER 109 H SER 109 -10.123 30.930 -8.374 734 HA SER 109 HA SER 109 -11.905 31.295 -6.214 735 HB2 SER 109 1HB SER 109 -9.492 31.995 -6.253 736 HB3 SER 109 2HB SER 109 -9.951 33.328 -7.312 737 HG SER 109 HG SER 109 -11.353 34.049 -5.636 738 H SER 110 H SER 110 -13.649 32.571 -5.943 739 HA SER 110 HA SER 110 -14.625 34.006 -8.309 740 HB2 SER 110 1HB SER 110 -16.039 32.911 -5.874 741 HB3 SER 110 2HB SER 110 -16.831 33.963 -7.047 742 HG SER 110 HG SER 110 -17.186 31.791 -7.570 743 H GLY 111 H GLY 111 -14.911 36.160 -8.322 744 HA2 GLY 111 1HA GLY 111 -14.751 37.605 -5.760 745 HA3 GLY 111 2HA GLY 111 -13.693 38.061 -7.087 Start of MODEL 6 1 H1 GLY 1 H GLY 1 21.698 -16.257 -17.442 2 HA2 GLY 1 1HA GLY 1 19.494 -16.708 -17.935 3 HA3 GLY 1 2HA GLY 1 20.185 -17.891 -19.036 4 H SER 2 H SER 2 17.714 -18.289 -17.871 5 HA SER 2 HA SER 2 18.163 -20.797 -16.534 6 HB2 SER 2 1HB SER 2 16.687 -20.182 -14.576 7 HB3 SER 2 2HB SER 2 18.281 -19.426 -14.572 8 HG SER 2 HG SER 2 16.392 -17.954 -15.891 9 H SER 3 H SER 3 16.371 -22.159 -16.594 10 HA SER 3 HA SER 3 14.345 -21.375 -18.521 11 HB2 SER 3 1HB SER 3 13.834 -23.683 -18.722 12 HB3 SER 3 2HB SER 3 15.587 -23.609 -18.548 13 HG SER 3 HG SER 3 14.935 -23.840 -16.154 14 H GLY 4 H GLY 4 13.924 -19.876 -16.353 15 HA2 GLY 4 1HA GLY 4 11.487 -19.664 -15.631 16 HA3 GLY 4 2HA GLY 4 11.765 -21.216 -14.855 17 H SER 5 H SER 5 10.894 -18.974 -13.451 18 HA SER 5 HA SER 5 13.230 -17.908 -12.069 19 HB2 SER 5 1HB SER 5 11.456 -16.331 -12.627 20 HB3 SER 5 2HB SER 5 10.279 -17.306 -11.746 21 HG SER 5 HG SER 5 11.110 -16.653 -9.871 22 H SER 6 H SER 6 10.219 -19.621 -11.237 23 HA SER 6 HA SER 6 9.671 -20.990 -9.504 24 HB2 SER 6 1HB SER 6 12.600 -21.535 -9.861 25 HB3 SER 6 2HB SER 6 11.727 -22.283 -8.524 26 HG SER 6 HG SER 6 11.118 -23.693 -9.948 27 H GLY 7 H GLY 7 10.020 -18.268 -8.880 28 HA2 GLY 7 1HA GLY 7 11.595 -17.931 -6.524 29 HA3 GLY 7 2HA GLY 7 10.362 -16.827 -7.116 30 H ALA 8 H ALA 8 11.174 -19.049 -4.727 31 HA ALA 8 HA ALA 8 8.372 -19.419 -3.920 32 HB1 ALA 8 1HB ALA 8 10.383 -20.816 -2.337 33 HB2 ALA 8 2HB ALA 8 8.929 -21.431 -3.124 34 HB3 ALA 8 3HB ALA 8 10.418 -21.240 -4.049 35 H GLY 9 H GLY 9 7.754 -19.039 -1.727 36 HA2 GLY 9 1HA GLY 9 9.558 -17.694 0.071 37 HA3 GLY 9 2HA GLY 9 8.375 -16.616 -0.656 38 H ASP 10 H ASP 10 7.275 -16.156 1.221 39 HA ASP 10 HA ASP 10 5.276 -18.033 2.001 40 HB2 ASP 10 1HB ASP 10 7.626 -17.562 3.807 41 HB3 ASP 10 2HB ASP 10 6.036 -17.881 4.495 42 HA PRO 11 HA PRO 11 3.615 -13.912 2.533 43 HB2 PRO 11 1HB PRO 11 1.036 -14.718 2.791 44 HB3 PRO 11 2HB PRO 11 1.855 -14.606 1.229 45 HG2 PRO 11 1HG PRO 11 1.364 -17.011 2.943 46 HG3 PRO 11 2HG PRO 11 1.202 -16.838 1.186 47 HD2 PRO 11 1HD PRO 11 3.358 -17.998 2.343 48 HD3 PRO 11 2HD PRO 11 3.466 -17.080 0.827 49 H GLY 12 H GLY 12 2.783 -16.687 4.586 50 HA2 GLY 12 1HA GLY 12 1.587 -15.389 6.713 51 HA3 GLY 12 2HA GLY 12 2.548 -16.853 6.865 52 H LEU 13 H LEU 13 4.981 -15.530 5.875 53 HA LEU 13 HA LEU 13 5.711 -14.218 8.386 54 HB2 LEU 13 1HB LEU 13 7.557 -15.082 6.175 55 HB3 LEU 13 2HB LEU 13 7.973 -14.700 7.844 56 HG LEU 13 HG LEU 13 6.495 -17.131 6.846 57 HD11 LEU 13 1HD1 LEU 13 9.258 -16.568 7.787 58 HD12 LEU 13 2HD1 LEU 13 8.694 -17.638 6.503 59 HD13 LEU 13 3HD1 LEU 13 8.531 -18.124 8.191 60 HD21 LEU 13 1HD2 LEU 13 6.153 -17.817 9.052 61 HD22 LEU 13 2HD2 LEU 13 5.689 -16.115 9.056 62 HD23 LEU 13 3HD2 LEU 13 7.258 -16.604 9.699 63 H VAL 14 H VAL 14 4.237 -12.970 6.059 64 HA VAL 14 HA VAL 14 6.034 -10.659 5.745 65 HB VAL 14 HB VAL 14 4.272 -11.905 3.639 66 HG11 VAL 14 1HG1 VAL 14 5.372 -9.858 2.328 67 HG12 VAL 14 2HG1 VAL 14 3.805 -9.743 3.131 68 HG13 VAL 14 3HG1 VAL 14 5.253 -9.127 3.928 69 HG21 VAL 14 1HG2 VAL 14 7.221 -11.454 3.948 70 HG22 VAL 14 2HG2 VAL 14 6.360 -12.950 3.587 71 HG23 VAL 14 3HG2 VAL 14 6.491 -11.691 2.360 72 H SER 15 H SER 15 5.189 -8.794 6.405 73 HA SER 15 HA SER 15 2.305 -8.373 6.307 74 HB2 SER 15 1HB SER 15 2.282 -7.570 8.673 75 HB3 SER 15 2HB SER 15 2.600 -9.299 8.527 76 HG SER 15 HG SER 15 4.026 -8.234 9.996 77 H ALA 16 H ALA 16 1.767 -6.073 6.980 78 HA ALA 16 HA ALA 16 3.945 -4.254 6.180 79 HB1 ALA 16 1HB ALA 16 2.501 -2.991 4.840 80 HB2 ALA 16 2HB ALA 16 2.099 -4.666 4.461 81 HB3 ALA 16 3HB ALA 16 1.060 -3.732 5.537 82 H TYR 17 H TYR 17 4.020 -2.230 7.174 83 HA TYR 17 HA TYR 17 2.101 -1.690 9.314 84 HB2 TYR 17 1HB TYR 17 3.893 -1.246 10.930 85 HB3 TYR 17 2HB TYR 17 3.934 -2.919 10.384 86 HD1 TYR 17 1HD TYR 17 5.545 0.392 9.938 87 HD2 TYR 17 2HD TYR 17 5.866 -3.813 9.377 88 HE1 TYR 17 1HE TYR 17 7.909 0.662 9.312 89 HE2 TYR 17 2HE TYR 17 8.231 -3.555 8.751 90 HH TYR 17 HH TYR 17 10.093 -1.603 9.356 91 H GLY 18 H GLY 18 1.636 0.427 9.553 92 HA2 GLY 18 1HA GLY 18 3.145 2.650 9.323 93 HA3 GLY 18 2HA GLY 18 2.788 2.273 7.644 94 HA PRO 19 HA PRO 19 -0.721 4.636 9.879 95 HB2 PRO 19 1HB PRO 19 -0.174 7.153 9.021 96 HB3 PRO 19 2HB PRO 19 0.453 6.497 10.538 97 HG2 PRO 19 1HG PRO 19 1.807 6.746 7.879 98 HG3 PRO 19 2HG PRO 19 2.447 7.089 9.497 99 HD2 PRO 19 1HD PRO 19 2.999 4.796 8.167 100 HD3 PRO 19 2HD PRO 19 2.873 4.866 9.936 101 H GLY 20 H GLY 20 0.673 4.373 6.750 102 HA2 GLY 20 1HA GLY 20 -1.441 5.656 5.297 103 HA3 GLY 20 2HA GLY 20 -0.179 4.638 4.620 104 H LEU 21 H LEU 21 -0.726 2.339 6.249 105 HA LEU 21 HA LEU 21 -2.730 1.123 4.654 106 HB2 LEU 21 1HB LEU 21 -1.559 0.101 7.235 107 HB3 LEU 21 2HB LEU 21 -2.357 -0.849 5.984 108 HG LEU 21 HG LEU 21 0.167 0.662 5.397 109 HD11 LEU 21 1HD1 LEU 21 1.371 -1.474 5.866 110 HD12 LEU 21 2HD1 LEU 21 -0.090 -2.059 6.661 111 HD13 LEU 21 3HD1 LEU 21 0.757 -0.651 7.300 112 HD21 LEU 21 1HD2 LEU 21 -0.350 -0.147 3.383 113 HD22 LEU 21 2HD2 LEU 21 -1.570 -1.240 4.039 114 HD23 LEU 21 3HD2 LEU 21 0.128 -1.720 4.022 115 H GLU 22 H GLU 22 -2.660 2.250 8.011 116 HA GLU 22 HA GLU 22 -5.362 1.414 8.527 117 HB2 GLU 22 1HB GLU 22 -3.250 2.876 10.047 118 HB3 GLU 22 2HB GLU 22 -4.918 3.026 10.579 119 HG2 GLU 22 1HG GLU 22 -3.317 0.494 10.326 120 HG3 GLU 22 2HG GLU 22 -3.860 1.272 11.812 121 H GLY 23 H GLY 23 -3.831 4.197 7.205 122 HA2 GLY 23 1HA GLY 23 -5.258 5.697 5.910 123 HA3 GLY 23 2HA GLY 23 -6.437 5.586 7.209 124 H GLY 24 H GLY 24 -5.768 8.051 6.372 125 HA2 GLY 24 1HA GLY 24 -4.545 9.162 8.749 126 HA3 GLY 24 2HA GLY 24 -3.637 9.437 7.270 127 H THR 25 H THR 25 -4.040 11.288 6.278 128 HA THR 25 HA THR 25 -6.731 12.460 6.522 129 HB THR 25 HB THR 25 -4.082 13.889 6.771 130 HG1 THR 25 1HG THR 25 -4.648 13.392 8.782 131 HG21 THR 25 1HG2 THR 25 -5.500 15.956 6.977 132 HG22 THR 25 2HG2 THR 25 -6.852 15.009 6.356 133 HG23 THR 25 3HG2 THR 25 -5.422 15.268 5.356 134 H THR 26 H THR 26 -7.275 13.992 4.807 135 HA THR 26 HA THR 26 -6.557 12.968 2.242 136 HB THR 26 HB THR 26 -7.977 14.869 1.379 137 HG1 THR 26 1HG THR 26 -9.179 15.996 3.007 138 HG21 THR 26 1HG2 THR 26 -8.838 12.577 1.956 139 HG22 THR 26 2HG2 THR 26 -10.042 13.864 2.039 140 HG23 THR 26 3HG2 THR 26 -9.326 13.228 3.520 141 H GLY 27 H GLY 27 -5.600 14.134 0.494 142 HA2 GLY 27 1HA GLY 27 -3.937 15.406 -0.446 143 HA3 GLY 27 2HA GLY 27 -4.453 16.673 0.657 144 H VAL 28 H VAL 28 -3.456 13.775 2.157 145 HA VAL 28 HA VAL 28 -0.846 14.995 2.789 146 HB VAL 28 HB VAL 28 -2.635 13.312 4.544 147 HG11 VAL 28 1HG1 VAL 28 -0.606 14.122 6.156 148 HG12 VAL 28 2HG1 VAL 28 -0.704 12.534 5.392 149 HG13 VAL 28 3HG1 VAL 28 0.255 13.813 4.649 150 HG21 VAL 28 1HG2 VAL 28 -1.731 15.733 5.740 151 HG22 VAL 28 2HG2 VAL 28 -2.397 16.105 4.150 152 HG23 VAL 28 3HG2 VAL 28 -3.379 15.248 5.338 153 H SER 29 H SER 29 0.755 13.930 1.842 154 HA SER 29 HA SER 29 0.657 11.498 0.576 155 HB2 SER 29 1HB SER 29 3.003 12.861 1.911 156 HB3 SER 29 2HB SER 29 3.164 11.441 0.876 157 HG SER 29 HG SER 29 2.254 14.028 0.184 158 H SER 30 H SER 30 0.241 9.527 1.294 159 HA SER 30 HA SER 30 1.117 8.803 4.014 160 HB2 SER 30 1HB SER 30 -1.293 7.716 2.540 161 HB3 SER 30 2HB SER 30 -0.820 7.347 4.198 162 HG SER 30 HG SER 30 -1.468 9.299 4.840 163 H GLU 31 H GLU 31 2.439 7.110 4.194 164 HA GLU 31 HA GLU 31 2.629 5.228 1.940 165 HB2 GLU 31 1HB GLU 31 5.039 5.171 2.149 166 HB3 GLU 31 2HB GLU 31 4.517 6.830 1.890 167 HG2 GLU 31 1HG GLU 31 4.871 7.387 4.169 168 HG3 GLU 31 2HG GLU 31 5.113 5.698 4.608 169 H PHE 32 H PHE 32 4.281 3.372 2.799 170 HA PHE 32 HA PHE 32 3.979 2.645 5.536 171 HB2 PHE 32 1HB PHE 32 2.579 0.609 5.111 172 HB3 PHE 32 2HB PHE 32 1.711 2.130 4.931 173 HD1 PHE 32 1HD PHE 32 3.163 -0.732 3.153 174 HD2 PHE 32 2HD PHE 32 0.856 2.828 2.810 175 HE1 PHE 32 1HE PHE 32 2.464 -1.407 0.892 176 HE2 PHE 32 2HE PHE 32 0.153 2.159 0.549 177 HZ PHE 32 HZ PHE 32 0.956 0.039 -0.412 178 H ILE 33 H ILE 33 5.128 0.744 6.080 179 HA ILE 33 HA ILE 33 6.999 -0.111 3.980 180 HB ILE 33 HB ILE 33 7.253 -0.140 6.985 181 HG12 ILE 33 1HG1 ILE 33 8.736 1.316 4.788 182 HG13 ILE 33 2HG1 ILE 33 7.671 2.030 5.994 183 HG21 ILE 33 1HG2 ILE 33 9.646 -0.928 6.357 184 HG22 ILE 33 2HG2 ILE 33 8.337 -2.106 6.439 185 HG23 ILE 33 3HG2 ILE 33 8.877 -1.497 4.875 186 HD11 ILE 33 1HD1 ILE 33 9.717 2.518 6.876 187 HD12 ILE 33 2HD1 ILE 33 9.386 0.978 7.670 188 HD13 ILE 33 3HD1 ILE 33 10.457 1.036 6.269 189 H VAL 34 H VAL 34 7.181 -2.203 3.393 190 HA VAL 34 HA VAL 34 5.362 -4.116 4.697 191 HB VAL 34 HB VAL 34 6.533 -4.264 1.915 192 HG11 VAL 34 1HG1 VAL 34 5.781 -6.372 3.299 193 HG12 VAL 34 2HG1 VAL 34 4.171 -5.835 2.818 194 HG13 VAL 34 3HG1 VAL 34 5.379 -6.215 1.590 195 HG21 VAL 34 1HG2 VAL 34 5.037 -2.574 1.613 196 HG22 VAL 34 2HG2 VAL 34 3.934 -3.941 1.458 197 HG23 VAL 34 3HG2 VAL 34 4.039 -3.062 2.983 198 H ASN 35 H ASN 35 6.524 -5.170 6.206 199 HA ASN 35 HA ASN 35 9.285 -5.803 5.924 200 HB2 ASN 35 1HB ASN 35 8.704 -5.651 8.149 201 HB3 ASN 35 2HB ASN 35 7.141 -6.426 7.905 202 HD21 ASN 35 1HD2 ASN 35 10.580 -7.224 7.512 203 HD22 ASN 35 2HD2 ASN 35 10.472 -8.788 8.238 204 H THR 36 H THR 36 9.741 -7.065 4.184 205 HA THR 36 HA THR 36 8.324 -9.633 3.945 206 HB THR 36 HB THR 36 9.327 -9.728 1.649 207 HG1 THR 36 1HG THR 36 11.041 -8.251 1.969 208 HG21 THR 36 1HG2 THR 36 7.029 -8.663 2.369 209 HG22 THR 36 2HG2 THR 36 7.605 -8.524 0.708 210 HG23 THR 36 3HG2 THR 36 7.797 -7.173 1.825 211 H LEU 37 H LEU 37 11.134 -8.326 5.135 212 HA LEU 37 HA LEU 37 13.184 -9.993 4.333 213 HB2 LEU 37 1HB LEU 37 12.753 -9.034 7.154 214 HB3 LEU 37 2HB LEU 37 14.285 -9.458 6.394 215 HG LEU 37 HG LEU 37 12.679 -7.215 5.258 216 HD11 LEU 37 1HD1 LEU 37 14.640 -6.616 7.409 217 HD12 LEU 37 2HD1 LEU 37 13.011 -7.105 7.871 218 HD13 LEU 37 3HD1 LEU 37 13.249 -5.686 6.852 219 HD21 LEU 37 1HD2 LEU 37 15.094 -6.368 4.998 220 HD22 LEU 37 2HD2 LEU 37 14.560 -7.704 3.977 221 HD23 LEU 37 3HD2 LEU 37 15.562 -8.022 5.394 222 H ASN 38 H ASN 38 11.082 -10.465 7.179 223 HA ASN 38 HA ASN 38 11.965 -12.852 8.111 224 HB2 ASN 38 1HB ASN 38 9.245 -11.637 7.945 225 HB3 ASN 38 2HB ASN 38 9.373 -13.313 8.469 226 HD21 ASN 38 1HD2 ASN 38 9.312 -10.186 9.486 227 HD22 ASN 38 2HD2 ASN 38 10.054 -10.374 11.035 228 H ALA 39 H ALA 39 9.874 -12.361 5.306 229 HA ALA 39 HA ALA 39 9.236 -15.016 4.755 230 HB1 ALA 39 1HB ALA 39 8.114 -14.049 3.106 231 HB2 ALA 39 2HB ALA 39 8.904 -12.519 3.490 232 HB3 ALA 39 3HB ALA 39 9.620 -13.607 2.302 233 H GLY 40 H GLY 40 11.807 -13.078 3.199 234 HA2 GLY 40 1HA GLY 40 14.055 -14.280 3.305 235 HA3 GLY 40 2HA GLY 40 13.179 -15.611 2.565 236 H SER 41 H SER 41 11.767 -14.639 0.590 237 HA SER 41 HA SER 41 12.918 -12.582 -0.952 238 HB2 SER 41 1HB SER 41 14.010 -15.335 -1.338 239 HB3 SER 41 2HB SER 41 13.758 -14.330 -2.765 240 HG SER 41 HG SER 41 15.593 -13.463 -2.246 241 H GLY 42 H GLY 42 11.695 -12.121 -2.751 242 HA2 GLY 42 1HA GLY 42 10.165 -13.653 -4.355 243 HA3 GLY 42 2HA GLY 42 9.160 -13.513 -2.920 244 H ALA 43 H ALA 43 8.166 -12.583 -5.249 245 HA ALA 43 HA ALA 43 8.685 -9.731 -5.445 246 HB1 ALA 43 1HB ALA 43 8.064 -10.035 -7.551 247 HB2 ALA 43 2HB ALA 43 7.704 -11.726 -7.201 248 HB3 ALA 43 3HB ALA 43 6.448 -10.502 -7.019 249 H LEU 44 H LEU 44 7.154 -8.113 -5.056 250 HA LEU 44 HA LEU 44 4.861 -8.939 -3.398 251 HB2 LEU 44 1HB LEU 44 6.550 -7.902 -2.019 252 HB3 LEU 44 2HB LEU 44 6.634 -6.519 -3.108 253 HG LEU 44 HG LEU 44 4.186 -6.108 -2.484 254 HD11 LEU 44 1HD1 LEU 44 4.779 -8.441 -0.872 255 HD12 LEU 44 2HD1 LEU 44 3.230 -7.683 -1.239 256 HD13 LEU 44 3HD1 LEU 44 4.205 -7.087 0.103 257 HD21 LEU 44 1HD2 LEU 44 5.816 -4.590 -1.717 258 HD22 LEU 44 2HD2 LEU 44 6.485 -5.758 -0.577 259 HD23 LEU 44 3HD2 LEU 44 4.893 -5.054 -0.287 260 H SER 45 H SER 45 2.907 -8.052 -3.836 261 HA SER 45 HA SER 45 2.794 -6.157 -6.089 262 HB2 SER 45 1HB SER 45 1.764 -8.167 -6.803 263 HB3 SER 45 2HB SER 45 0.932 -8.382 -5.263 264 HG SER 45 HG SER 45 -0.461 -6.764 -5.785 265 H VAL 46 H VAL 46 1.934 -4.217 -5.738 266 HA VAL 46 HA VAL 46 0.301 -3.828 -3.313 267 HB VAL 46 HB VAL 46 2.231 -1.843 -4.525 268 HG11 VAL 46 1HG1 VAL 46 0.046 -1.097 -3.297 269 HG12 VAL 46 2HG1 VAL 46 0.949 -1.539 -1.847 270 HG13 VAL 46 3HG1 VAL 46 1.582 -0.307 -2.939 271 HG21 VAL 46 1HG2 VAL 46 2.573 -3.953 -2.561 272 HG22 VAL 46 2HG2 VAL 46 3.784 -2.971 -3.386 273 HG23 VAL 46 3HG2 VAL 46 3.006 -2.367 -1.923 274 H THR 47 H THR 47 -1.556 -2.679 -3.506 275 HA THR 47 HA THR 47 -2.109 -1.059 -5.826 276 HB THR 47 HB THR 47 -4.246 -2.384 -6.323 277 HG1 THR 47 1HG THR 47 -2.828 -4.628 -5.389 278 HG21 THR 47 1HG2 THR 47 -3.164 -3.699 -7.979 279 HG22 THR 47 2HG2 THR 47 -1.683 -3.806 -7.026 280 HG23 THR 47 3HG2 THR 47 -2.158 -2.269 -7.750 281 H ILE 48 H ILE 48 -4.065 0.154 -5.633 282 HA ILE 48 HA ILE 48 -5.360 0.030 -2.998 283 HB ILE 48 HB ILE 48 -4.424 2.573 -4.333 284 HG12 ILE 48 1HG1 ILE 48 -3.512 1.443 -1.689 285 HG13 ILE 48 2HG1 ILE 48 -2.682 1.084 -3.199 286 HG21 ILE 48 1HG2 ILE 48 -5.944 2.086 -1.779 287 HG22 ILE 48 2HG2 ILE 48 -5.184 3.621 -2.195 288 HG23 ILE 48 3HG2 ILE 48 -6.486 2.981 -3.199 289 HD11 ILE 48 1HD1 ILE 48 -3.028 3.893 -3.025 290 HD12 ILE 48 2HD1 ILE 48 -2.359 3.313 -1.499 291 HD13 ILE 48 3HD1 ILE 48 -1.534 2.958 -3.016 292 H ASP 49 H ASP 49 -7.486 0.889 -2.915 293 HA ASP 49 HA ASP 49 -8.741 1.668 -5.425 294 HB2 ASP 49 1HB ASP 49 -8.809 -0.927 -4.996 295 HB3 ASP 49 2HB ASP 49 -10.089 -0.502 -3.864 296 H GLY 50 H GLY 50 -9.762 3.489 -4.932 297 HA2 GLY 50 1HA GLY 50 -11.469 3.533 -2.543 298 HA3 GLY 50 2HA GLY 50 -10.278 4.809 -2.747 299 HA PRO 51 HA PRO 51 -14.298 6.115 -4.712 300 HB2 PRO 51 1HB PRO 51 -14.442 8.505 -3.432 301 HB3 PRO 51 2HB PRO 51 -15.099 7.010 -2.753 302 HG2 PRO 51 1HG PRO 51 -12.502 8.377 -2.163 303 HG3 PRO 51 2HG PRO 51 -13.656 7.633 -1.040 304 HD2 PRO 51 1HD PRO 51 -11.388 6.386 -1.838 305 HD3 PRO 51 2HD PRO 51 -12.880 5.503 -1.458 306 H SER 52 H SER 52 -11.092 7.283 -4.441 307 HA SER 52 HA SER 52 -11.372 8.701 -6.968 308 HB2 SER 52 1HB SER 52 -10.120 10.674 -6.096 309 HB3 SER 52 2HB SER 52 -11.713 10.489 -5.364 310 HG SER 52 HG SER 52 -9.233 9.697 -4.230 311 H LYS 53 H LYS 53 -9.721 8.254 -8.274 312 HA LYS 53 HA LYS 53 -7.783 6.396 -7.800 313 HB2 LYS 53 1HB LYS 53 -7.871 8.726 -9.693 314 HB3 LYS 53 2HB LYS 53 -6.467 7.667 -9.645 315 HG2 LYS 53 1HG LYS 53 -7.661 5.838 -10.428 316 HG3 LYS 53 2HG LYS 53 -9.218 6.539 -9.979 317 HD2 LYS 53 1HD LYS 53 -9.271 7.931 -11.820 318 HD3 LYS 53 2HD LYS 53 -7.516 7.916 -12.012 319 HE2 LYS 53 1HE LYS 53 -7.530 5.798 -13.007 320 HE3 LYS 53 2HE LYS 53 -9.153 5.435 -12.422 321 HZ1 LYS 53 1HZ LYS 53 -9.277 7.728 -14.027 322 HZ2 LYS 53 2HZ LYS 53 -9.970 6.211 -14.310 323 HZ3 LYS 53 3HZ LYS 53 -8.412 6.548 -14.876 324 H VAL 54 H VAL 54 -5.803 6.308 -6.888 325 HA VAL 54 HA VAL 54 -4.743 8.804 -5.727 326 HB VAL 54 HB VAL 54 -3.709 7.371 -3.966 327 HG11 VAL 54 1HG1 VAL 54 -5.903 6.887 -2.787 328 HG12 VAL 54 2HG1 VAL 54 -5.656 8.545 -3.339 329 HG13 VAL 54 3HG1 VAL 54 -6.700 7.457 -4.253 330 HG21 VAL 54 1HG2 VAL 54 -4.641 5.102 -3.643 331 HG22 VAL 54 2HG2 VAL 54 -5.445 5.238 -5.207 332 HG23 VAL 54 3HG2 VAL 54 -3.683 5.248 -5.116 333 H GLN 55 H GLN 55 -2.698 9.351 -6.192 334 HA GLN 55 HA GLN 55 -1.241 7.742 -8.097 335 HB2 GLN 55 1HB GLN 55 -1.479 10.338 -8.014 336 HB3 GLN 55 2HB GLN 55 -0.167 10.246 -6.846 337 HG2 GLN 55 1HG GLN 55 1.292 9.261 -8.448 338 HG3 GLN 55 2HG GLN 55 -0.024 9.058 -9.603 339 HE21 GLN 55 1HE2 GLN 55 -0.413 10.636 -11.015 340 HE22 GLN 55 2HE2 GLN 55 0.324 12.198 -10.993 341 H LEU 56 H LEU 56 -0.338 5.974 -7.180 342 HA LEU 56 HA LEU 56 1.166 6.270 -4.690 343 HB2 LEU 56 1HB LEU 56 1.104 3.931 -4.488 344 HB3 LEU 56 2HB LEU 56 -0.495 4.406 -5.057 345 HG LEU 56 HG LEU 56 0.615 3.843 -7.414 346 HD11 LEU 56 1HD1 LEU 56 1.937 1.813 -5.645 347 HD12 LEU 56 2HD1 LEU 56 2.774 3.273 -6.170 348 HD13 LEU 56 3HD1 LEU 56 2.188 2.116 -7.364 349 HD21 LEU 56 1HD2 LEU 56 -0.696 1.959 -7.425 350 HD22 LEU 56 2HD2 LEU 56 -1.386 2.832 -6.056 351 HD23 LEU 56 3HD2 LEU 56 -0.255 1.507 -5.778 352 H ASP 57 H ASP 57 3.339 5.654 -4.499 353 HA ASP 57 HA ASP 57 4.801 5.284 -7.023 354 HB2 ASP 57 1HB ASP 57 4.820 7.680 -5.890 355 HB3 ASP 57 2HB ASP 57 6.041 6.932 -4.864 356 H CYS 58 H CYS 58 5.671 3.325 -6.890 357 HA CYS 58 HA CYS 58 6.294 2.074 -4.392 358 HB2 CYS 58 1HB CYS 58 6.785 1.271 -7.261 359 HB3 CYS 58 2HB CYS 58 7.257 0.272 -5.892 360 HG CYS 58 HG CYS 58 4.567 0.099 -4.936 361 H ARG 59 H ARG 59 8.304 1.556 -3.543 362 HA ARG 59 HA ARG 59 10.698 2.560 -4.856 363 HB2 ARG 59 1HB ARG 59 9.626 3.631 -2.260 364 HB3 ARG 59 2HB ARG 59 11.348 3.665 -2.613 365 HG2 ARG 59 1HG ARG 59 10.771 4.905 -4.729 366 HG3 ARG 59 2HG ARG 59 9.133 5.055 -4.090 367 HD2 ARG 59 1HD ARG 59 10.400 5.966 -1.972 368 HD3 ARG 59 2HD ARG 59 11.668 6.306 -3.149 369 HE ARG 59 HE ARG 59 9.353 7.328 -4.230 370 HH11 ARG 59 1HH1 ARG 59 11.213 7.811 -1.327 371 HH12 ARG 59 2HH1 ARG 59 10.757 9.474 -1.155 372 HH21 ARG 59 1HH2 ARG 59 8.746 9.516 -4.015 373 HH22 ARG 59 2HH2 ARG 59 9.353 10.442 -2.684 374 H GLU 60 H GLU 60 12.589 2.232 -3.044 375 HA GLU 60 HA GLU 60 12.237 -0.527 -2.067 376 HB2 GLU 60 1HB GLU 60 14.644 0.803 -3.307 377 HB3 GLU 60 2HB GLU 60 14.750 -0.707 -2.413 378 HG2 GLU 60 1HG GLU 60 13.231 -1.766 -3.989 379 HG3 GLU 60 2HG GLU 60 13.081 -0.250 -4.876 380 H CYS 61 H CYS 61 12.909 -1.018 -0.030 381 HA CYS 61 HA CYS 61 14.298 1.049 1.516 382 HB2 CYS 61 1HB CYS 61 12.721 0.536 3.439 383 HB3 CYS 61 2HB CYS 61 12.038 1.464 2.109 384 HG CYS 61 HG CYS 61 11.020 -1.082 0.981 385 HA PRO 62 HA PRO 62 16.667 -2.265 3.145 386 HB2 PRO 62 1HB PRO 62 17.220 -1.352 5.641 387 HB3 PRO 62 2HB PRO 62 17.960 -0.676 4.185 388 HG2 PRO 62 1HG PRO 62 15.646 0.348 5.785 389 HG3 PRO 62 2HG PRO 62 17.006 1.245 5.085 390 HD2 PRO 62 1HD PRO 62 14.562 1.165 3.923 391 HD3 PRO 62 2HD PRO 62 16.063 1.282 2.982 392 H GLU 63 H GLU 63 13.580 -1.634 4.195 393 HA GLU 63 HA GLU 63 13.623 -3.829 6.156 394 HB2 GLU 63 1HB GLU 63 11.666 -1.561 5.775 395 HB3 GLU 63 2HB GLU 63 11.386 -2.914 6.862 396 HG2 GLU 63 1HG GLU 63 13.760 -1.081 7.058 397 HG3 GLU 63 2HG GLU 63 12.257 -0.844 7.947 398 H GLY 64 H GLY 64 12.719 -3.015 3.010 399 HA2 GLY 64 1HA GLY 64 11.980 -5.329 1.987 400 HA3 GLY 64 2HA GLY 64 10.527 -4.948 2.900 401 H HIS 65 H HIS 65 9.005 -3.755 1.942 402 HA HIS 65 HA HIS 65 9.754 -2.258 -0.483 403 HB2 HIS 65 1HB HIS 65 7.320 -3.969 0.025 404 HB3 HIS 65 2HB HIS 65 7.406 -2.801 -1.291 405 HD1 HIS 65 1HD HIS 65 9.173 -3.305 -3.188 406 HD2 HIS 65 2HD HIS 65 8.601 -6.364 -0.436 407 HE1 HIS 65 1HE HIS 65 10.185 -5.353 -4.240 408 HE2 HIS 65 2HE HIS 65 9.752 -7.209 -2.593 409 H VAL 66 H VAL 66 8.940 -0.230 -0.719 410 HA VAL 66 HA VAL 66 7.030 0.723 1.305 411 HB VAL 66 HB VAL 66 9.411 1.389 1.841 412 HG11 VAL 66 1HG1 VAL 66 10.631 2.788 0.502 413 HG12 VAL 66 2HG1 VAL 66 9.772 1.857 -0.726 414 HG13 VAL 66 3HG1 VAL 66 9.204 3.466 -0.280 415 HG21 VAL 66 1HG2 VAL 66 8.566 3.157 2.919 416 HG22 VAL 66 2HG2 VAL 66 8.110 3.966 1.419 417 HG23 VAL 66 3HG2 VAL 66 7.044 2.752 2.125 418 H VAL 67 H VAL 67 5.498 2.131 0.595 419 HA VAL 67 HA VAL 67 5.731 3.215 -2.118 420 HB VAL 67 HB VAL 67 3.246 1.799 -1.151 421 HG11 VAL 67 1HG1 VAL 67 3.837 3.571 -3.369 422 HG12 VAL 67 2HG1 VAL 67 3.188 2.021 -3.908 423 HG13 VAL 67 3HG1 VAL 67 2.283 3.006 -2.758 424 HG21 VAL 67 1HG2 VAL 67 5.433 0.875 -3.004 425 HG22 VAL 67 2HG2 VAL 67 4.891 0.115 -1.508 426 HG23 VAL 67 3HG2 VAL 67 3.840 0.121 -2.924 427 H THR 68 H THR 68 4.815 5.194 -2.397 428 HA THR 68 HA THR 68 3.368 6.331 -0.093 429 HB THR 68 HB THR 68 5.275 7.805 -1.920 430 HG1 THR 68 1HG THR 68 6.028 6.235 -0.136 431 HG21 THR 68 1HG2 THR 68 4.893 9.723 -0.620 432 HG22 THR 68 2HG2 THR 68 4.097 8.805 0.658 433 HG23 THR 68 3HG2 THR 68 3.285 9.051 -0.888 434 H TYR 69 H TYR 69 1.463 7.274 -0.503 435 HA TYR 69 HA TYR 69 0.818 8.039 -3.261 436 HB2 TYR 69 1HB TYR 69 -1.313 6.938 -3.194 437 HB3 TYR 69 2HB TYR 69 -0.086 5.751 -2.768 438 HD1 TYR 69 1HD TYR 69 -2.710 7.960 -1.368 439 HD2 TYR 69 2HD TYR 69 -0.147 4.633 -0.686 440 HE1 TYR 69 1HE TYR 69 -3.936 7.448 0.702 441 HE2 TYR 69 2HE TYR 69 -1.367 4.110 1.385 442 HH TYR 69 HH TYR 69 -2.784 5.225 3.017 443 H THR 70 H THR 70 -1.157 9.404 -3.381 444 HA THR 70 HA THR 70 -1.544 10.977 -0.920 445 HB THR 70 HB THR 70 -1.373 12.088 -3.728 446 HG1 THR 70 1HG THR 70 0.634 12.721 -3.201 447 HG21 THR 70 1HG2 THR 70 -2.838 13.126 -1.721 448 HG22 THR 70 2HG2 THR 70 -2.015 14.112 -2.930 449 HG23 THR 70 3HG2 THR 70 -1.271 13.846 -1.354 450 HA PRO 71 HA PRO 71 -5.792 9.909 -1.747 451 HB2 PRO 71 1HB PRO 71 -6.829 11.236 0.381 452 HB3 PRO 71 2HB PRO 71 -6.014 9.675 0.527 453 HG2 PRO 71 1HG PRO 71 -4.948 12.423 1.047 454 HG3 PRO 71 2HG PRO 71 -4.729 10.941 1.995 455 HD2 PRO 71 1HD PRO 71 -2.837 11.877 0.300 456 HD3 PRO 71 2HD PRO 71 -3.073 10.144 0.603 457 H MET 72 H MET 72 -7.633 10.945 -2.532 458 HA MET 72 HA MET 72 -7.333 13.830 -3.053 459 HB2 MET 72 1HB MET 72 -8.534 11.689 -4.813 460 HB3 MET 72 2HB MET 72 -8.663 13.413 -5.137 461 HG2 MET 72 1HG MET 72 -6.028 13.268 -4.907 462 HG3 MET 72 2HG MET 72 -6.336 11.600 -5.384 463 HE1 MET 72 1HE MET 72 -8.586 12.477 -8.630 464 HE2 MET 72 2HE MET 72 -7.852 11.085 -7.834 465 HE3 MET 72 3HE MET 72 -8.993 12.103 -6.955 466 H ALA 73 H ALA 73 -9.364 11.273 -1.932 467 HA ALA 73 HA ALA 73 -11.341 13.237 -1.068 468 HB1 ALA 73 1HB ALA 73 -12.735 12.686 -2.723 469 HB2 ALA 73 2HB ALA 73 -11.803 11.250 -3.152 470 HB3 ALA 73 3HB ALA 73 -12.979 11.178 -1.840 471 HA PRO 74 HA PRO 74 -11.201 10.841 2.621 472 HB2 PRO 74 1HB PRO 74 -13.559 11.605 3.729 473 HB3 PRO 74 2HB PRO 74 -12.143 12.660 3.661 474 HG2 PRO 74 1HG PRO 74 -14.547 12.600 1.879 475 HG3 PRO 74 2HG PRO 74 -13.698 13.997 2.565 476 HD2 PRO 74 1HD PRO 74 -13.328 13.177 0.011 477 HD3 PRO 74 2HD PRO 74 -12.037 13.930 0.968 478 H GLY 75 H GLY 75 -11.458 8.695 2.593 479 HA2 GLY 75 1HA GLY 75 -13.994 7.473 2.812 480 HA3 GLY 75 2HA GLY 75 -13.407 7.291 1.165 481 H ASN 76 H ASN 76 -13.510 4.980 1.702 482 HA ASN 76 HA ASN 76 -11.261 4.078 3.364 483 HB2 ASN 76 1HB ASN 76 -13.575 2.436 2.313 484 HB3 ASN 76 2HB ASN 76 -12.377 1.936 3.504 485 HD21 ASN 76 1HD2 ASN 76 -15.397 2.355 3.471 486 HD22 ASN 76 2HD2 ASN 76 -15.695 3.272 4.905 487 H TYR 77 H TYR 77 -9.467 3.796 2.211 488 HA TYR 77 HA TYR 77 -9.640 2.894 -0.560 489 HB2 TYR 77 1HB TYR 77 -7.349 3.966 1.090 490 HB3 TYR 77 2HB TYR 77 -7.161 3.372 -0.556 491 HD1 TYR 77 1HD TYR 77 -8.739 5.989 1.520 492 HD2 TYR 77 2HD TYR 77 -7.790 4.705 -2.424 493 HE1 TYR 77 1HE TYR 77 -9.347 8.211 0.657 494 HE2 TYR 77 2HE TYR 77 -8.394 6.923 -3.298 495 HH TYR 77 HH TYR 77 -9.919 8.847 -2.539 496 H LEU 78 H LEU 78 -9.620 0.785 -0.931 497 HA LEU 78 HA LEU 78 -8.675 -1.105 1.003 498 HB2 LEU 78 1HB LEU 78 -10.578 -1.319 -0.760 499 HB3 LEU 78 2HB LEU 78 -9.274 -1.802 -1.842 500 HG LEU 78 HG LEU 78 -10.264 -3.791 -1.029 501 HD11 LEU 78 1HD1 LEU 78 -8.436 -4.893 -0.002 502 HD12 LEU 78 2HD1 LEU 78 -7.836 -3.392 0.702 503 HD13 LEU 78 3HD1 LEU 78 -7.753 -3.643 -1.042 504 HD21 LEU 78 1HD2 LEU 78 -9.805 -2.984 1.819 505 HD22 LEU 78 2HD2 LEU 78 -10.855 -4.246 1.174 506 HD23 LEU 78 3HD2 LEU 78 -11.292 -2.547 0.978 507 H ILE 79 H ILE 79 -6.613 -1.596 1.299 508 HA ILE 79 HA ILE 79 -4.729 -1.267 -0.927 509 HB ILE 79 HB ILE 79 -4.207 -1.562 2.033 510 HG12 ILE 79 1HG1 ILE 79 -3.805 0.822 0.217 511 HG13 ILE 79 2HG1 ILE 79 -5.191 0.612 1.281 512 HG21 ILE 79 1HG2 ILE 79 -1.939 -0.590 0.675 513 HG22 ILE 79 2HG2 ILE 79 -2.128 -2.130 1.510 514 HG23 ILE 79 3HG2 ILE 79 -2.497 -2.010 -0.210 515 HD11 ILE 79 1HD1 ILE 79 -2.554 0.387 2.562 516 HD12 ILE 79 2HD1 ILE 79 -2.987 1.983 1.947 517 HD13 ILE 79 3HD1 ILE 79 -4.030 1.176 3.118 518 H ALA 80 H ALA 80 -4.657 -3.102 -2.089 519 HA ALA 80 HA ALA 80 -4.699 -5.690 -0.754 520 HB1 ALA 80 1HB ALA 80 -4.474 -6.415 -3.276 521 HB2 ALA 80 2HB ALA 80 -6.014 -5.861 -2.617 522 HB3 ALA 80 3HB ALA 80 -5.012 -4.760 -3.563 523 H ILE 81 H ILE 81 -2.889 -6.646 -0.123 524 HA ILE 81 HA ILE 81 -0.414 -6.116 -1.633 525 HB ILE 81 HB ILE 81 -0.614 -6.578 1.345 526 HG12 ILE 81 1HG1 ILE 81 0.159 -4.046 -0.113 527 HG13 ILE 81 2HG1 ILE 81 -1.453 -4.347 0.526 528 HG21 ILE 81 1HG2 ILE 81 1.870 -5.476 0.395 529 HG22 ILE 81 2HG2 ILE 81 1.580 -6.926 1.355 530 HG23 ILE 81 3HG2 ILE 81 1.516 -7.007 -0.406 531 HD11 ILE 81 1HD1 ILE 81 0.988 -4.446 2.260 532 HD12 ILE 81 2HD1 ILE 81 0.113 -2.948 1.940 533 HD13 ILE 81 3HD1 ILE 81 -0.701 -4.292 2.742 534 H LYS 82 H LYS 82 0.426 -7.869 -2.529 535 HA LYS 82 HA LYS 82 -0.071 -10.482 -1.261 536 HB2 LYS 82 1HB LYS 82 0.166 -10.040 -4.237 537 HB3 LYS 82 2HB LYS 82 -0.324 -11.511 -3.406 538 HG2 LYS 82 1HG LYS 82 -2.267 -10.042 -2.505 539 HG3 LYS 82 2HG LYS 82 -1.863 -8.996 -3.869 540 HD2 LYS 82 1HD LYS 82 -2.000 -11.130 -5.289 541 HD3 LYS 82 2HD LYS 82 -2.822 -11.842 -3.899 542 HE2 LYS 82 1HE LYS 82 -4.539 -10.145 -3.999 543 HE3 LYS 82 2HE LYS 82 -3.686 -9.314 -5.298 544 HZ1 LYS 82 1HZ LYS 82 -5.454 -11.557 -5.432 545 HZ2 LYS 82 2HZ LYS 82 -3.990 -11.858 -6.224 546 HZ3 LYS 82 3HZ LYS 82 -4.931 -10.523 -6.665 547 H TYR 83 H TYR 83 1.569 -12.081 -1.565 548 HA TYR 83 HA TYR 83 4.135 -11.150 -2.605 549 HB2 TYR 83 1HB TYR 83 4.056 -10.611 -0.160 550 HB3 TYR 83 2HB TYR 83 3.871 -12.331 0.166 551 HD1 TYR 83 2HD TYR 83 6.149 -9.967 -1.614 552 HD2 TYR 83 1HD TYR 83 5.765 -13.600 0.567 553 HE1 TYR 83 2HE TYR 83 8.595 -10.225 -1.626 554 HE2 TYR 83 1HE TYR 83 8.210 -13.867 0.563 555 HH TYR 83 HH TYR 83 10.333 -11.342 -0.535 556 H GLY 84 H GLY 84 5.210 -12.705 -3.665 557 HA2 GLY 84 1HA GLY 84 5.359 -14.730 -4.799 558 HA3 GLY 84 2HA GLY 84 5.654 -15.294 -3.161 559 H GLY 85 H GLY 85 2.703 -14.157 -4.805 560 HA2 GLY 85 1HA GLY 85 1.415 -16.462 -5.380 561 HA3 GLY 85 2HA GLY 85 1.202 -16.337 -3.640 562 HA PRO 86 HA PRO 86 -1.763 -13.546 -6.225 563 HB2 PRO 86 1HB PRO 86 -3.798 -15.261 -6.760 564 HB3 PRO 86 2HB PRO 86 -2.450 -14.993 -7.871 565 HG2 PRO 86 1HG PRO 86 -2.880 -17.220 -5.917 566 HG3 PRO 86 2HG PRO 86 -2.290 -17.296 -7.587 567 HD2 PRO 86 1HD PRO 86 -0.631 -17.408 -5.450 568 HD3 PRO 86 2HD PRO 86 -0.152 -16.673 -6.994 569 H GLN 87 H GLN 87 -1.688 -15.488 -3.505 570 HA GLN 87 HA GLN 87 -4.304 -14.659 -2.511 571 HB2 GLN 87 1HB GLN 87 -3.861 -16.135 -0.629 572 HB3 GLN 87 2HB GLN 87 -3.582 -16.985 -2.143 573 HG2 GLN 87 1HG GLN 87 -1.171 -16.624 -1.889 574 HG3 GLN 87 2HG GLN 87 -1.467 -15.812 -0.352 575 HE21 GLN 87 1HE2 GLN 87 -0.872 -17.083 1.243 576 HE22 GLN 87 2HE2 GLN 87 -1.186 -18.776 1.370 577 H HIS 88 H HIS 88 -4.617 -13.245 -0.846 578 HA HIS 88 HA HIS 88 -2.734 -11.211 -0.431 579 HB2 HIS 88 1HB HIS 88 -5.204 -11.982 1.129 580 HB3 HIS 88 2HB HIS 88 -4.262 -10.533 1.467 581 HD1 HIS 88 1HD HIS 88 -5.088 -8.507 0.328 582 HD2 HIS 88 2HD HIS 88 -6.111 -11.960 -1.743 583 HE1 HIS 88 1HE HIS 88 -6.477 -7.735 -1.622 584 HE2 HIS 88 2HE HIS 88 -7.155 -9.849 -2.812 585 H ILE 89 H ILE 89 -1.350 -10.732 1.248 586 HA ILE 89 HA ILE 89 -0.233 -12.963 2.639 587 HB ILE 89 HB ILE 89 1.279 -11.299 3.671 588 HG12 ILE 89 1HG1 ILE 89 0.098 -9.169 1.938 589 HG13 ILE 89 2HG1 ILE 89 -0.655 -9.505 3.493 590 HG21 ILE 89 1HG2 ILE 89 1.372 -10.434 0.879 591 HG22 ILE 89 2HG2 ILE 89 2.564 -11.311 1.837 592 HG23 ILE 89 3HG2 ILE 89 1.225 -12.179 1.089 593 HD11 ILE 89 1HD1 ILE 89 1.892 -9.302 4.276 594 HD12 ILE 89 2HD1 ILE 89 1.929 -8.238 2.869 595 HD13 ILE 89 3HD1 ILE 89 0.792 -7.926 4.180 596 H VAL 90 H VAL 90 0.086 -13.067 4.968 597 HA VAL 90 HA VAL 90 -2.228 -13.086 6.442 598 HB VAL 90 HB VAL 90 -0.310 -14.269 7.248 599 HG11 VAL 90 1HG1 VAL 90 1.282 -12.157 8.345 600 HG12 VAL 90 2HG1 VAL 90 1.743 -13.424 7.207 601 HG13 VAL 90 3HG1 VAL 90 1.073 -11.904 6.613 602 HG21 VAL 90 1HG2 VAL 90 -0.460 -13.818 9.543 603 HG22 VAL 90 2HG2 VAL 90 -0.719 -12.094 9.278 604 HG23 VAL 90 3HG2 VAL 90 -1.993 -13.248 8.883 605 H GLY 91 H GLY 91 -3.554 -11.484 6.974 606 HA2 GLY 91 1HA GLY 91 -3.847 -9.569 8.476 607 HA3 GLY 91 2HA GLY 91 -2.359 -8.914 7.810 608 H SER 92 H SER 92 -2.938 -9.509 5.070 609 HA SER 92 HA SER 92 -4.551 -7.214 4.469 610 HB2 SER 92 1HB SER 92 -2.858 -9.112 2.932 611 HB3 SER 92 2HB SER 92 -4.131 -8.279 2.041 612 HG SER 92 HG SER 92 -2.996 -6.520 2.133 613 HA PRO 93 HA PRO 93 -5.398 -6.760 2.166 614 HB2 PRO 93 1HB PRO 93 -7.755 -5.438 1.914 615 HB3 PRO 93 2HB PRO 93 -7.241 -6.707 0.796 616 HG2 PRO 93 1HG PRO 93 -9.130 -6.873 3.112 617 HG3 PRO 93 2HG PRO 93 -9.280 -7.582 1.494 618 HD2 PRO 93 1HD PRO 93 -8.481 -9.019 3.645 619 HD3 PRO 93 2HD PRO 93 -7.893 -9.351 2.003 620 H PHE 94 H PHE 94 -5.608 -4.376 2.658 621 HA PHE 94 HA PHE 94 -6.013 -3.976 5.549 622 HB2 PHE 94 1HB PHE 94 -3.907 -2.889 3.692 623 HB3 PHE 94 2HB PHE 94 -4.280 -2.098 5.220 624 HD1 PHE 94 2HD PHE 94 -3.836 -3.239 7.347 625 HD2 PHE 94 1HD PHE 94 -2.694 -4.936 3.615 626 HE1 PHE 94 2HE PHE 94 -2.322 -4.786 8.518 627 HE2 PHE 94 1HE PHE 94 -1.179 -6.486 4.780 628 HZ PHE 94 HZ PHE 94 -0.991 -6.411 7.234 629 H LYS 95 H LYS 95 -7.538 -2.570 6.084 630 HA LYS 95 HA LYS 95 -8.731 -0.898 4.026 631 HB2 LYS 95 1HB LYS 95 -9.934 -2.334 5.881 632 HB3 LYS 95 2HB LYS 95 -9.659 -0.905 6.869 633 HG2 LYS 95 1HG LYS 95 -11.816 -0.660 5.983 634 HG3 LYS 95 2HG LYS 95 -10.791 0.418 5.032 635 HD2 LYS 95 1HD LYS 95 -12.168 -0.693 3.471 636 HD3 LYS 95 2HD LYS 95 -10.593 -1.482 3.361 637 HE2 LYS 95 1HE LYS 95 -12.264 -3.186 3.364 638 HE3 LYS 95 2HE LYS 95 -11.448 -3.231 4.926 639 HZ1 LYS 95 1HZ LYS 95 -13.669 -3.368 5.486 640 HZ2 LYS 95 2HZ LYS 95 -14.164 -2.284 4.286 641 HZ3 LYS 95 3HZ LYS 95 -13.368 -1.713 5.665 642 H ALA 96 H ALA 96 -8.239 1.171 3.751 643 HA ALA 96 HA ALA 96 -6.889 2.596 5.949 644 HB1 ALA 96 1HB ALA 96 -6.695 3.497 3.110 645 HB2 ALA 96 2HB ALA 96 -5.556 3.713 4.440 646 HB3 ALA 96 3HB ALA 96 -5.718 2.137 3.664 647 H LYS 97 H LYS 97 -8.309 3.855 6.969 648 HA LYS 97 HA LYS 97 -10.426 5.180 5.438 649 HB2 LYS 97 1HB LYS 97 -11.206 3.987 7.379 650 HB3 LYS 97 2HB LYS 97 -10.021 4.785 8.406 651 HG2 LYS 97 1HG LYS 97 -11.148 6.928 8.025 652 HG3 LYS 97 2HG LYS 97 -12.349 6.107 7.024 653 HD2 LYS 97 1HD LYS 97 -11.844 5.173 9.820 654 HD3 LYS 97 2HD LYS 97 -12.858 6.589 9.535 655 HE2 LYS 97 1HE LYS 97 -14.469 5.363 8.402 656 HE3 LYS 97 2HE LYS 97 -13.351 4.052 8.027 657 HZ1 LYS 97 1HZ LYS 97 -13.561 3.154 10.115 658 HZ2 LYS 97 2HZ LYS 97 -15.127 3.743 9.866 659 HZ3 LYS 97 3HZ LYS 97 -14.041 4.610 10.831 660 H VAL 98 H VAL 98 -9.626 6.996 4.536 661 HA VAL 98 HA VAL 98 -7.876 8.745 6.076 662 HB VAL 98 HB VAL 98 -8.836 8.928 3.218 663 HG11 VAL 98 1HG1 VAL 98 -7.068 10.723 4.849 664 HG12 VAL 98 2HG1 VAL 98 -6.949 10.651 3.090 665 HG13 VAL 98 3HG1 VAL 98 -8.459 11.150 3.854 666 HG21 VAL 98 1HG2 VAL 98 -7.258 7.086 3.720 667 HG22 VAL 98 2HG2 VAL 98 -6.589 8.289 2.618 668 HG23 VAL 98 3HG2 VAL 98 -6.102 8.278 4.312 669 H THR 99 H THR 99 -8.378 10.828 6.684 670 HA THR 99 HA THR 99 -11.214 11.595 6.431 671 HB THR 99 HB THR 99 -11.267 12.422 8.611 672 HG1 THR 99 1HG THR 99 -8.465 12.528 8.344 673 HG21 THR 99 1HG2 THR 99 -11.188 9.975 8.604 674 HG22 THR 99 2HG2 THR 99 -10.433 10.628 10.058 675 HG23 THR 99 3HG2 THR 99 -9.431 10.027 8.738 676 H GLY 100 H GLY 100 -11.535 14.011 6.821 677 HA2 GLY 100 1HA GLY 100 -10.545 16.225 6.689 678 HA3 GLY 100 2HA GLY 100 -9.299 15.544 5.654 679 HA PRO 101 HA PRO 101 -12.898 17.434 3.198 680 HB2 PRO 101 1HB PRO 101 -11.607 19.640 2.285 681 HB3 PRO 101 2HB PRO 101 -12.532 19.623 3.791 682 HG2 PRO 101 1HG PRO 101 -9.577 19.377 3.381 683 HG3 PRO 101 2HG PRO 101 -10.463 20.319 4.594 684 HD2 PRO 101 1HD PRO 101 -9.329 17.924 5.152 685 HD3 PRO 101 2HD PRO 101 -10.816 18.484 5.944 686 H ARG 102 H ARG 102 -13.093 17.102 1.023 687 HA ARG 102 HA ARG 102 -11.350 15.463 -0.332 688 HB2 ARG 102 1HB ARG 102 -13.458 17.379 -1.286 689 HB3 ARG 102 2HB ARG 102 -12.502 16.454 -2.436 690 HG2 ARG 102 1HG ARG 102 -13.361 14.410 -1.679 691 HG3 ARG 102 2HG ARG 102 -13.994 15.130 -0.198 692 HD2 ARG 102 1HD ARG 102 -14.983 16.075 -2.854 693 HD3 ARG 102 2HD ARG 102 -15.600 14.569 -2.176 694 HE ARG 102 HE ARG 102 -15.715 16.713 -0.299 695 HH11 ARG 102 1HH1 ARG 102 -17.315 15.313 -3.057 696 HH12 ARG 102 2HH1 ARG 102 -18.872 15.947 -2.639 697 HH21 ARG 102 1HH2 ARG 102 -17.761 17.553 0.261 698 HH22 ARG 102 2HH2 ARG 102 -19.125 17.222 -0.752 699 H LEU 103 H LEU 103 -9.227 15.970 -0.454 700 HA LEU 103 HA LEU 103 -8.500 18.566 -1.635 701 HB2 LEU 103 1HB LEU 103 -7.048 16.696 0.204 702 HB3 LEU 103 2HB LEU 103 -6.181 17.909 -0.735 703 HG LEU 103 HG LEU 103 -8.443 18.719 1.051 704 HD11 LEU 103 1HD1 LEU 103 -6.162 19.193 2.514 705 HD12 LEU 103 2HD1 LEU 103 -5.907 17.566 1.884 706 HD13 LEU 103 3HD1 LEU 103 -7.352 17.929 2.827 707 HD21 LEU 103 1HD2 LEU 103 -7.478 20.831 0.959 708 HD22 LEU 103 2HD2 LEU 103 -7.238 20.211 -0.674 709 HD23 LEU 103 3HD2 LEU 103 -5.903 20.200 0.479 710 H SER 104 H SER 104 -8.693 18.053 -3.799 711 HA SER 104 HA SER 104 -7.581 15.691 -4.942 712 HB2 SER 104 1HB SER 104 -9.474 17.014 -5.933 713 HB3 SER 104 2HB SER 104 -8.304 18.259 -6.369 714 HG SER 104 HG SER 104 -7.766 15.632 -7.143 715 H GLY 105 H GLY 105 -6.603 19.120 -5.091 716 HA2 GLY 105 1HA GLY 105 -4.144 19.425 -4.596 717 HA3 GLY 105 2HA GLY 105 -3.896 18.200 -5.832 718 H SER 106 H SER 106 -2.954 19.219 -7.484 719 HA SER 106 HA SER 106 -3.174 21.899 -8.155 720 HB2 SER 106 1HB SER 106 -2.235 21.280 -10.334 721 HB3 SER 106 2HB SER 106 -1.421 20.406 -9.037 722 HG SER 106 HG SER 106 -1.873 18.864 -10.498 723 H GLY 107 H GLY 107 -4.097 22.780 -10.229 724 HA2 GLY 107 1HA GLY 107 -6.828 22.809 -10.230 725 HA3 GLY 107 2HA GLY 107 -5.865 23.167 -11.656 726 HA PRO 108 HA PRO 108 -8.286 19.004 -11.874 727 HB2 PRO 108 1HB PRO 108 -10.689 19.828 -12.831 728 HB3 PRO 108 2HB PRO 108 -10.358 19.634 -11.106 729 HG2 PRO 108 1HG PRO 108 -10.361 22.125 -12.766 730 HG3 PRO 108 2HG PRO 108 -11.024 21.862 -11.142 731 HD2 PRO 108 1HD PRO 108 -8.640 23.075 -11.562 732 HD3 PRO 108 2HD PRO 108 -8.966 22.080 -10.129 733 H SER 109 H SER 109 -6.793 18.699 -13.577 734 HA SER 109 HA SER 109 -6.592 19.974 -15.978 735 HB2 SER 109 1HB SER 109 -5.327 17.885 -15.028 736 HB3 SER 109 2HB SER 109 -6.522 16.975 -15.952 737 HG SER 109 HG SER 109 -5.840 18.404 -17.760 738 H SER 110 H SER 110 -8.104 20.537 -17.385 739 HA SER 110 HA SER 110 -10.555 19.005 -17.625 740 HB2 SER 110 1HB SER 110 -10.652 21.467 -17.561 741 HB3 SER 110 2HB SER 110 -9.689 21.541 -19.037 742 HG SER 110 HG SER 110 -11.478 20.157 -19.919 743 H GLY 111 H GLY 111 -9.840 17.085 -18.601 744 HA2 GLY 111 1HA GLY 111 -10.068 16.860 -21.327 745 HA3 GLY 111 2HA GLY 111 -8.350 17.093 -21.045 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -0.157 -31.724 -16.397 2 HA2 GLY 1 1HA GLY 1 -1.061 -31.182 -13.646 3 HA3 GLY 1 2HA GLY 1 0.540 -30.824 -14.276 4 H SER 2 H SER 2 -2.457 -29.552 -13.518 5 HA SER 2 HA SER 2 -2.948 -27.593 -15.396 6 HB2 SER 2 1HB SER 2 -4.161 -26.409 -13.688 7 HB3 SER 2 2HB SER 2 -4.369 -28.135 -13.392 8 HG SER 2 HG SER 2 -2.439 -27.794 -11.940 9 H SER 3 H SER 3 -1.839 -25.907 -16.115 10 HA SER 3 HA SER 3 0.490 -24.995 -14.586 11 HB2 SER 3 1HB SER 3 0.810 -25.702 -16.956 12 HB3 SER 3 2HB SER 3 -0.249 -24.384 -17.458 13 HG SER 3 HG SER 3 1.408 -23.140 -16.034 14 H GLY 4 H GLY 4 -0.198 -23.505 -13.137 15 HA2 GLY 4 1HA GLY 4 -1.688 -21.195 -14.225 16 HA3 GLY 4 2HA GLY 4 -1.959 -21.824 -12.606 17 H SER 5 H SER 5 -1.286 -20.282 -11.256 18 HA SER 5 HA SER 5 1.240 -18.903 -11.823 19 HB2 SER 5 1HB SER 5 -1.192 -18.226 -10.223 20 HB3 SER 5 2HB SER 5 0.351 -17.522 -9.743 21 HG SER 5 HG SER 5 0.370 -16.329 -11.499 22 H SER 6 H SER 6 2.960 -19.874 -10.979 23 HA SER 6 HA SER 6 2.734 -21.416 -8.524 24 HB2 SER 6 1HB SER 6 4.972 -22.196 -9.007 25 HB3 SER 6 2HB SER 6 4.021 -22.275 -10.489 26 HG SER 6 HG SER 6 4.969 -20.192 -11.015 27 H GLY 7 H GLY 7 4.590 -21.173 -6.917 28 HA2 GLY 7 1HA GLY 7 5.936 -18.699 -6.650 29 HA3 GLY 7 2HA GLY 7 4.457 -18.669 -5.702 30 H ALA 8 H ALA 8 7.652 -19.170 -5.464 31 HA ALA 8 HA ALA 8 7.412 -21.268 -3.415 32 HB1 ALA 8 1HB ALA 8 10.018 -21.140 -3.634 33 HB2 ALA 8 2HB ALA 8 9.061 -22.017 -4.828 34 HB3 ALA 8 3HB ALA 8 9.644 -20.392 -5.187 35 H GLY 9 H GLY 9 6.511 -18.668 -2.810 36 HA2 GLY 9 1HA GLY 9 8.637 -17.656 -1.030 37 HA3 GLY 9 2HA GLY 9 7.311 -16.685 -1.652 38 H ASP 10 H ASP 10 7.632 -16.452 0.932 39 HA ASP 10 HA ASP 10 5.519 -18.140 2.099 40 HB2 ASP 10 1HB ASP 10 7.745 -16.987 3.758 41 HB3 ASP 10 2HB ASP 10 6.662 -18.323 4.139 42 HA PRO 11 HA PRO 11 3.962 -13.871 2.352 43 HB2 PRO 11 1HB PRO 11 1.352 -14.612 2.423 44 HB3 PRO 11 2HB PRO 11 2.269 -14.470 0.919 45 HG2 PRO 11 1HG PRO 11 1.610 -16.917 2.512 46 HG3 PRO 11 2HG PRO 11 1.561 -16.679 0.755 47 HD2 PRO 11 1HD PRO 11 3.610 -17.939 1.998 48 HD3 PRO 11 2HD PRO 11 3.836 -16.973 0.526 49 H GLY 12 H GLY 12 3.200 -16.702 4.305 50 HA2 GLY 12 1HA GLY 12 1.806 -15.468 6.389 51 HA3 GLY 12 2HA GLY 12 2.762 -16.934 6.545 52 H LEU 13 H LEU 13 5.224 -15.524 5.688 53 HA LEU 13 HA LEU 13 5.850 -14.350 8.292 54 HB2 LEU 13 1HB LEU 13 7.773 -15.020 6.078 55 HB3 LEU 13 2HB LEU 13 8.138 -14.735 7.779 56 HG LEU 13 HG LEU 13 6.750 -17.134 6.592 57 HD11 LEU 13 1HD1 LEU 13 8.717 -18.284 7.690 58 HD12 LEU 13 2HD1 LEU 13 9.434 -16.683 7.867 59 HD13 LEU 13 3HD1 LEU 13 9.077 -17.316 6.260 60 HD21 LEU 13 1HD2 LEU 13 7.423 -16.727 9.492 61 HD22 LEU 13 2HD2 LEU 13 6.422 -17.982 8.760 62 HD23 LEU 13 3HD2 LEU 13 5.843 -16.317 8.824 63 H VAL 14 H VAL 14 4.455 -13.043 5.885 64 HA VAL 14 HA VAL 14 6.226 -10.690 5.722 65 HB VAL 14 HB VAL 14 4.228 -11.666 3.676 66 HG11 VAL 14 1HG1 VAL 14 5.829 -9.134 3.868 67 HG12 VAL 14 2HG1 VAL 14 5.271 -9.764 2.317 68 HG13 VAL 14 3HG1 VAL 14 4.103 -9.331 3.566 69 HG21 VAL 14 1HG2 VAL 14 7.237 -11.566 3.719 70 HG22 VAL 14 2HG2 VAL 14 6.200 -12.982 3.542 71 HG23 VAL 14 3HG2 VAL 14 6.298 -11.793 2.243 72 H SER 15 H SER 15 5.437 -8.783 6.384 73 HA SER 15 HA SER 15 2.549 -8.440 6.687 74 HB2 SER 15 1HB SER 15 4.559 -8.441 8.899 75 HB3 SER 15 2HB SER 15 3.215 -7.303 8.987 76 HG SER 15 HG SER 15 1.851 -9.213 8.594 77 H ALA 16 H ALA 16 1.990 -6.145 7.221 78 HA ALA 16 HA ALA 16 4.012 -4.235 6.281 79 HB1 ALA 16 1HB ALA 16 2.926 -3.761 4.406 80 HB2 ALA 16 2HB ALA 16 1.813 -5.086 4.751 81 HB3 ALA 16 3HB ALA 16 1.437 -3.454 5.302 82 H TYR 17 H TYR 17 4.097 -2.412 7.446 83 HA TYR 17 HA TYR 17 1.793 -1.699 9.124 84 HB2 TYR 17 1HB TYR 17 3.420 -1.088 10.943 85 HB3 TYR 17 2HB TYR 17 3.283 -2.814 10.630 86 HD1 TYR 17 1HD TYR 17 5.376 0.153 9.799 87 HD2 TYR 17 2HD TYR 17 5.199 -4.076 10.221 88 HE1 TYR 17 1HE TYR 17 7.812 0.026 9.484 89 HE2 TYR 17 2HE TYR 17 7.635 -4.216 9.909 90 HH TYR 17 HH TYR 17 9.431 -2.254 8.564 91 H GLY 18 H GLY 18 1.538 0.504 9.558 92 HA2 GLY 18 1HA GLY 18 3.133 2.633 9.279 93 HA3 GLY 18 2HA GLY 18 2.804 2.238 7.598 94 HA PRO 19 HA PRO 19 -0.610 4.882 9.621 95 HB2 PRO 19 1HB PRO 19 0.045 7.287 8.546 96 HB3 PRO 19 2HB PRO 19 0.655 6.736 10.111 97 HG2 PRO 19 1HG PRO 19 1.994 6.692 7.434 98 HG3 PRO 19 2HG PRO 19 2.664 7.142 9.013 99 HD2 PRO 19 1HD PRO 19 3.098 4.719 7.883 100 HD3 PRO 19 2HD PRO 19 2.991 4.948 9.641 101 H GLY 20 H GLY 20 0.687 4.160 6.555 102 HA2 GLY 20 1HA GLY 20 -1.387 5.442 5.005 103 HA3 GLY 20 2HA GLY 20 -0.150 4.352 4.398 104 H LEU 21 H LEU 21 -0.689 2.170 6.139 105 HA LEU 21 HA LEU 21 -2.778 0.914 4.688 106 HB2 LEU 21 1HB LEU 21 -1.524 -0.025 7.259 107 HB3 LEU 21 2HB LEU 21 -2.359 -1.008 6.059 108 HG LEU 21 HG LEU 21 0.114 0.473 5.276 109 HD11 LEU 21 1HD1 LEU 21 1.563 -1.116 6.146 110 HD12 LEU 21 2HD1 LEU 21 0.271 -2.276 6.450 111 HD13 LEU 21 3HD1 LEU 21 0.429 -0.846 7.470 112 HD21 LEU 21 1HD2 LEU 21 -1.195 -2.111 4.443 113 HD22 LEU 21 2HD2 LEU 21 0.358 -1.541 3.832 114 HD23 LEU 21 3HD2 LEU 21 -1.107 -0.610 3.522 115 H GLU 22 H GLU 22 -2.595 2.495 7.803 116 HA GLU 22 HA GLU 22 -5.269 1.629 8.545 117 HB2 GLU 22 1HB GLU 22 -3.069 3.127 9.904 118 HB3 GLU 22 2HB GLU 22 -4.714 3.317 10.497 119 HG2 GLU 22 1HG GLU 22 -3.120 0.776 10.314 120 HG3 GLU 22 2HG GLU 22 -3.648 1.613 11.773 121 H GLY 23 H GLY 23 -3.637 4.432 7.258 122 HA2 GLY 23 1HA GLY 23 -5.029 5.907 5.869 123 HA3 GLY 23 2HA GLY 23 -6.250 5.807 7.129 124 H GLY 24 H GLY 24 -5.672 8.268 6.404 125 HA2 GLY 24 1HA GLY 24 -4.468 9.379 8.776 126 HA3 GLY 24 2HA GLY 24 -3.529 9.666 7.318 127 H THR 25 H THR 25 -3.865 11.612 6.505 128 HA THR 25 HA THR 25 -6.588 12.736 6.640 129 HB THR 25 HB THR 25 -3.936 14.123 7.002 130 HG1 THR 25 1HG THR 25 -6.316 14.298 8.549 131 HG21 THR 25 1HG2 THR 25 -5.226 15.447 5.412 132 HG22 THR 25 2HG2 THR 25 -5.174 16.252 6.981 133 HG23 THR 25 3HG2 THR 25 -6.628 15.390 6.479 134 H THR 26 H THR 26 -7.304 13.955 4.870 135 HA THR 26 HA THR 26 -6.503 13.050 2.340 136 HB THR 26 HB THR 26 -7.857 15.097 1.522 137 HG1 THR 26 1HG THR 26 -9.262 15.857 3.285 138 HG21 THR 26 1HG2 THR 26 -8.836 12.919 1.497 139 HG22 THR 26 2HG2 THR 26 -10.005 14.006 2.247 140 HG23 THR 26 3HG2 THR 26 -9.038 12.924 3.248 141 H GLY 27 H GLY 27 -5.410 14.070 0.638 142 HA2 GLY 27 1HA GLY 27 -3.768 15.352 -0.327 143 HA3 GLY 27 2HA GLY 27 -4.279 16.642 0.751 144 H VAL 28 H VAL 28 -3.189 13.608 2.043 145 HA VAL 28 HA VAL 28 -0.633 14.869 2.796 146 HB VAL 28 HB VAL 28 -2.339 13.070 4.524 147 HG11 VAL 28 1HG1 VAL 28 -0.426 14.117 6.150 148 HG12 VAL 28 2HG1 VAL 28 -0.351 12.516 5.411 149 HG13 VAL 28 3HG1 VAL 28 0.477 13.877 4.654 150 HG21 VAL 28 1HG2 VAL 28 -3.287 15.263 4.458 151 HG22 VAL 28 2HG2 VAL 28 -2.438 15.091 5.995 152 HG23 VAL 28 3HG2 VAL 28 -1.707 16.013 4.682 153 H SER 29 H SER 29 1.123 13.751 2.261 154 HA SER 29 HA SER 29 1.018 11.373 0.786 155 HB2 SER 29 1HB SER 29 3.248 12.849 2.162 156 HB3 SER 29 2HB SER 29 3.547 11.303 1.367 157 HG SER 29 HG SER 29 2.151 13.262 -0.052 158 H SER 30 H SER 30 0.312 9.495 1.559 159 HA SER 30 HA SER 30 1.201 8.662 4.242 160 HB2 SER 30 1HB SER 30 -1.228 7.641 2.758 161 HB3 SER 30 2HB SER 30 -0.805 7.352 4.445 162 HG SER 30 HG SER 30 -0.923 9.777 4.573 163 H GLU 31 H GLU 31 2.494 6.950 4.379 164 HA GLU 31 HA GLU 31 2.521 5.006 2.177 165 HB2 GLU 31 1HB GLU 31 4.969 4.915 2.256 166 HB3 GLU 31 2HB GLU 31 4.404 6.522 1.821 167 HG2 GLU 31 1HG GLU 31 4.685 7.130 4.262 168 HG3 GLU 31 2HG GLU 31 5.551 5.604 4.437 169 H PHE 32 H PHE 32 4.286 3.205 2.996 170 HA PHE 32 HA PHE 32 4.115 2.605 5.789 171 HB2 PHE 32 1HB PHE 32 2.848 0.434 5.402 172 HB3 PHE 32 2HB PHE 32 1.891 1.910 5.339 173 HD1 PHE 32 2HD PHE 32 1.311 2.869 3.075 174 HD2 PHE 32 1HD PHE 32 2.912 -1.041 3.593 175 HE1 PHE 32 2HE PHE 32 0.490 2.241 0.842 176 HE2 PHE 32 1HE PHE 32 2.095 -1.675 1.360 177 HZ PHE 32 HZ PHE 32 0.881 -0.033 -0.018 178 H ILE 33 H ILE 33 5.151 0.523 6.314 179 HA ILE 33 HA ILE 33 7.155 -0.174 4.272 180 HB ILE 33 HB ILE 33 7.309 -0.210 7.280 181 HG12 ILE 33 1HG1 ILE 33 8.949 1.152 5.132 182 HG13 ILE 33 2HG1 ILE 33 7.796 1.930 6.211 183 HG21 ILE 33 1HG2 ILE 33 9.028 -1.602 5.260 184 HG22 ILE 33 2HG2 ILE 33 9.690 -1.072 6.806 185 HG23 ILE 33 3HG2 ILE 33 8.355 -2.224 6.767 186 HD11 ILE 33 1HD1 ILE 33 9.820 2.432 7.183 187 HD12 ILE 33 2HD1 ILE 33 9.317 1.004 8.089 188 HD13 ILE 33 3HD1 ILE 33 10.514 0.857 6.802 189 H VAL 34 H VAL 34 7.160 -2.169 3.474 190 HA VAL 34 HA VAL 34 5.447 -4.186 4.742 191 HB VAL 34 HB VAL 34 6.635 -4.168 1.964 192 HG11 VAL 34 1HG1 VAL 34 4.898 -6.095 3.447 193 HG12 VAL 34 2HG1 VAL 34 4.749 -5.940 1.696 194 HG13 VAL 34 3HG1 VAL 34 6.291 -6.408 2.413 195 HG21 VAL 34 1HG2 VAL 34 4.631 -2.565 2.860 196 HG22 VAL 34 2HG2 VAL 34 4.802 -3.118 1.194 197 HG23 VAL 34 3HG2 VAL 34 3.726 -3.972 2.300 198 H ASN 35 H ASN 35 6.670 -5.183 6.266 199 HA ASN 35 HA ASN 35 9.421 -5.811 5.940 200 HB2 ASN 35 1HB ASN 35 8.865 -5.687 8.173 201 HB3 ASN 35 2HB ASN 35 7.304 -6.468 7.938 202 HD21 ASN 35 1HD2 ASN 35 10.655 -6.906 8.576 203 HD22 ASN 35 2HD2 ASN 35 10.599 -8.608 8.869 204 H THR 36 H THR 36 9.967 -7.106 4.280 205 HA THR 36 HA THR 36 8.566 -9.689 4.040 206 HB THR 36 HB THR 36 9.252 -9.764 1.702 207 HG1 THR 36 1HG THR 36 10.842 -7.671 2.498 208 HG21 THR 36 1HG2 THR 36 8.137 -7.016 1.906 209 HG22 THR 36 2HG2 THR 36 7.220 -8.329 2.645 210 HG23 THR 36 3HG2 THR 36 7.607 -8.382 0.925 211 H LEU 37 H LEU 37 11.339 -8.319 5.163 212 HA LEU 37 HA LEU 37 13.429 -9.875 4.215 213 HB2 LEU 37 1HB LEU 37 13.039 -8.889 7.036 214 HB3 LEU 37 2HB LEU 37 14.567 -9.376 6.307 215 HG LEU 37 HG LEU 37 12.952 -7.074 5.243 216 HD11 LEU 37 1HD1 LEU 37 15.192 -6.889 7.248 217 HD12 LEU 37 2HD1 LEU 37 13.483 -6.744 7.657 218 HD13 LEU 37 3HD1 LEU 37 14.234 -5.567 6.579 219 HD21 LEU 37 1HD2 LEU 37 15.797 -8.009 4.957 220 HD22 LEU 37 2HD2 LEU 37 15.270 -6.391 4.492 221 HD23 LEU 37 3HD2 LEU 37 14.580 -7.807 3.696 222 H ASN 38 H ASN 38 11.299 -10.506 6.997 223 HA ASN 38 HA ASN 38 12.404 -12.901 7.843 224 HB2 ASN 38 1HB ASN 38 9.699 -11.666 8.029 225 HB3 ASN 38 2HB ASN 38 9.848 -13.371 8.443 226 HD21 ASN 38 1HD2 ASN 38 12.389 -11.025 8.915 227 HD22 ASN 38 2HD2 ASN 38 12.343 -11.035 10.642 228 H ALA 39 H ALA 39 10.221 -12.260 5.176 229 HA ALA 39 HA ALA 39 9.423 -14.897 4.629 230 HB1 ALA 39 1HB ALA 39 9.622 -13.470 2.186 231 HB2 ALA 39 2HB ALA 39 8.182 -13.811 3.147 232 HB3 ALA 39 3HB ALA 39 9.107 -12.338 3.438 233 H GLY 40 H GLY 40 11.964 -12.957 3.028 234 HA2 GLY 40 1HA GLY 40 14.167 -14.193 2.888 235 HA3 GLY 40 2HA GLY 40 13.216 -15.500 2.199 236 H SER 41 H SER 41 11.850 -14.786 0.247 237 HA SER 41 HA SER 41 12.831 -12.611 -1.325 238 HB2 SER 41 1HB SER 41 13.917 -15.352 -1.754 239 HB3 SER 41 2HB SER 41 13.531 -14.395 -3.183 240 HG SER 41 HG SER 41 14.803 -12.697 -1.893 241 H GLY 42 H GLY 42 11.572 -12.224 -3.158 242 HA2 GLY 42 1HA GLY 42 9.910 -13.756 -4.598 243 HA3 GLY 42 2HA GLY 42 8.991 -13.553 -3.114 244 H ALA 43 H ALA 43 7.905 -12.676 -5.436 245 HA ALA 43 HA ALA 43 8.460 -9.849 -5.762 246 HB1 ALA 43 1HB ALA 43 7.892 -10.540 -7.824 247 HB2 ALA 43 2HB ALA 43 6.941 -11.898 -7.221 248 HB3 ALA 43 3HB ALA 43 6.243 -10.278 -7.255 249 H LEU 44 H LEU 44 6.694 -8.254 -5.666 250 HA LEU 44 HA LEU 44 4.633 -8.923 -3.680 251 HB2 LEU 44 1HB LEU 44 6.273 -7.805 -2.404 252 HB3 LEU 44 2HB LEU 44 6.536 -6.599 -3.662 253 HG LEU 44 HG LEU 44 4.135 -5.844 -3.181 254 HD11 LEU 44 1HD1 LEU 44 4.498 -7.935 -1.172 255 HD12 LEU 44 2HD1 LEU 44 3.021 -7.209 -1.805 256 HD13 LEU 44 3HD1 LEU 44 3.919 -6.402 -0.520 257 HD21 LEU 44 1HD2 LEU 44 6.341 -5.488 -1.156 258 HD22 LEU 44 2HD2 LEU 44 4.886 -4.493 -1.239 259 HD23 LEU 44 3HD2 LEU 44 6.032 -4.494 -2.581 260 H SER 45 H SER 45 2.662 -7.962 -3.967 261 HA SER 45 HA SER 45 2.391 -6.213 -6.325 262 HB2 SER 45 1HB SER 45 1.476 -8.610 -6.507 263 HB3 SER 45 2HB SER 45 0.230 -8.088 -5.373 264 HG SER 45 HG SER 45 -0.339 -6.459 -6.872 265 H VAL 46 H VAL 46 1.533 -4.281 -5.952 266 HA VAL 46 HA VAL 46 -0.087 -3.907 -3.517 267 HB VAL 46 HB VAL 46 1.864 -1.931 -4.708 268 HG11 VAL 46 1HG1 VAL 46 1.276 -0.889 -2.330 269 HG12 VAL 46 2HG1 VAL 46 0.350 -0.510 -3.783 270 HG13 VAL 46 3HG1 VAL 46 -0.251 -1.714 -2.643 271 HG21 VAL 46 1HG2 VAL 46 2.620 -4.035 -3.303 272 HG22 VAL 46 2HG2 VAL 46 3.365 -2.454 -3.063 273 HG23 VAL 46 3HG2 VAL 46 2.117 -3.019 -1.951 274 H THR 47 H THR 47 -1.901 -2.649 -3.675 275 HA THR 47 HA THR 47 -2.457 -1.095 -6.040 276 HB THR 47 HB THR 47 -4.632 -2.350 -6.470 277 HG1 THR 47 1HG THR 47 -4.266 -4.699 -5.883 278 HG21 THR 47 1HG2 THR 47 -2.270 -4.079 -7.105 279 HG22 THR 47 2HG2 THR 47 -2.398 -2.462 -7.796 280 HG23 THR 47 3HG2 THR 47 -3.651 -3.661 -8.117 281 H ILE 48 H ILE 48 -4.034 0.425 -5.708 282 HA ILE 48 HA ILE 48 -5.401 0.355 -3.097 283 HB ILE 48 HB ILE 48 -4.304 2.797 -4.496 284 HG12 ILE 48 1HG1 ILE 48 -3.456 1.547 -1.877 285 HG13 ILE 48 2HG1 ILE 48 -2.611 1.306 -3.402 286 HG21 ILE 48 1HG2 ILE 48 -6.435 3.151 -3.263 287 HG22 ILE 48 2HG2 ILE 48 -5.627 2.599 -1.797 288 HG23 ILE 48 3HG2 ILE 48 -5.074 4.063 -2.610 289 HD11 ILE 48 1HD1 ILE 48 -1.676 3.358 -3.360 290 HD12 ILE 48 2HD1 ILE 48 -3.071 4.100 -2.576 291 HD13 ILE 48 3HD1 ILE 48 -1.919 3.164 -1.624 292 H ASP 49 H ASP 49 -7.536 0.805 -3.073 293 HA ASP 49 HA ASP 49 -8.772 1.846 -5.527 294 HB2 ASP 49 1HB ASP 49 -8.902 -0.756 -5.109 295 HB3 ASP 49 2HB ASP 49 -10.178 -0.296 -3.986 296 H GLY 50 H GLY 50 -9.955 3.581 -5.097 297 HA2 GLY 50 1HA GLY 50 -11.536 3.676 -2.638 298 HA3 GLY 50 2HA GLY 50 -10.351 4.951 -2.882 299 HA PRO 51 HA PRO 51 -14.410 6.265 -4.742 300 HB2 PRO 51 1HB PRO 51 -14.469 8.689 -3.521 301 HB3 PRO 51 2HB PRO 51 -15.120 7.223 -2.778 302 HG2 PRO 51 1HG PRO 51 -12.482 8.565 -2.326 303 HG3 PRO 51 2HG PRO 51 -13.600 7.867 -1.140 304 HD2 PRO 51 1HD PRO 51 -11.384 6.567 -1.994 305 HD3 PRO 51 2HD PRO 51 -12.872 5.716 -1.532 306 H SER 52 H SER 52 -11.173 7.296 -4.706 307 HA SER 52 HA SER 52 -11.502 8.628 -7.251 308 HB2 SER 52 1HB SER 52 -10.738 10.101 -4.753 309 HB3 SER 52 2HB SER 52 -10.057 10.598 -6.301 310 HG SER 52 HG SER 52 -12.825 10.355 -5.709 311 H LYS 53 H LYS 53 -9.793 8.273 -8.532 312 HA LYS 53 HA LYS 53 -7.842 6.439 -8.017 313 HB2 LYS 53 1HB LYS 53 -8.425 7.469 -10.246 314 HB3 LYS 53 2HB LYS 53 -7.416 8.839 -9.801 315 HG2 LYS 53 1HG LYS 53 -5.475 7.673 -10.049 316 HG3 LYS 53 2HG LYS 53 -6.224 6.125 -9.650 317 HD2 LYS 53 1HD LYS 53 -5.864 5.882 -11.912 318 HD3 LYS 53 2HD LYS 53 -7.515 6.508 -11.893 319 HE2 LYS 53 1HE LYS 53 -5.179 8.371 -12.082 320 HE3 LYS 53 2HE LYS 53 -5.779 7.543 -13.518 321 HZ1 LYS 53 1HZ LYS 53 -7.869 8.575 -13.302 322 HZ2 LYS 53 2HZ LYS 53 -6.732 9.807 -13.078 323 HZ3 LYS 53 3HZ LYS 53 -7.532 9.142 -11.744 324 H VAL 54 H VAL 54 -5.835 6.391 -7.130 325 HA VAL 54 HA VAL 54 -4.858 8.891 -5.908 326 HB VAL 54 HB VAL 54 -3.808 7.446 -4.156 327 HG11 VAL 54 1HG1 VAL 54 -5.804 8.628 -3.599 328 HG12 VAL 54 2HG1 VAL 54 -6.809 7.439 -4.430 329 HG13 VAL 54 3HG1 VAL 54 -5.956 6.996 -2.951 330 HG21 VAL 54 1HG2 VAL 54 -4.664 5.381 -5.887 331 HG22 VAL 54 2HG2 VAL 54 -3.797 5.234 -4.358 332 HG23 VAL 54 3HG2 VAL 54 -5.560 5.208 -4.378 333 H GLN 55 H GLN 55 -2.667 9.318 -5.979 334 HA GLN 55 HA GLN 55 -1.192 7.829 -8.010 335 HB2 GLN 55 1HB GLN 55 -1.448 10.412 -7.902 336 HB3 GLN 55 2HB GLN 55 -0.204 10.323 -6.662 337 HG2 GLN 55 1HG GLN 55 1.185 9.045 -8.353 338 HG3 GLN 55 2HG GLN 55 -0.004 9.549 -9.552 339 HE21 GLN 55 1HE2 GLN 55 1.563 10.731 -10.669 340 HE22 GLN 55 2HE2 GLN 55 2.148 12.247 -10.083 341 H LEU 56 H LEU 56 -0.328 6.040 -7.086 342 HA LEU 56 HA LEU 56 1.065 6.270 -4.532 343 HB2 LEU 56 1HB LEU 56 0.974 3.964 -4.377 344 HB3 LEU 56 2HB LEU 56 -0.532 4.370 -5.197 345 HG LEU 56 HG LEU 56 1.859 3.599 -6.813 346 HD11 LEU 56 1HD1 LEU 56 1.968 1.572 -5.923 347 HD12 LEU 56 2HD1 LEU 56 0.309 1.293 -6.451 348 HD13 LEU 56 3HD1 LEU 56 0.626 1.926 -4.836 349 HD21 LEU 56 1HD2 LEU 56 -1.128 3.456 -7.120 350 HD22 LEU 56 2HD2 LEU 56 -0.023 2.593 -8.191 351 HD23 LEU 56 3HD2 LEU 56 0.035 4.354 -8.096 352 H ASP 57 H ASP 57 3.224 5.346 -4.289 353 HA ASP 57 HA ASP 57 4.830 5.291 -6.737 354 HB2 ASP 57 1HB ASP 57 4.793 7.603 -5.501 355 HB3 ASP 57 2HB ASP 57 5.881 6.801 -4.371 356 H CYS 58 H CYS 58 5.913 3.446 -6.740 357 HA CYS 58 HA CYS 58 6.401 2.026 -4.257 358 HB2 CYS 58 1HB CYS 58 7.104 0.174 -5.684 359 HB3 CYS 58 2HB CYS 58 5.553 0.807 -6.222 360 HG CYS 58 HG CYS 58 7.642 2.484 -7.948 361 H ARG 59 H ARG 59 8.341 1.717 -3.300 362 HA ARG 59 HA ARG 59 10.769 2.578 -4.685 363 HB2 ARG 59 1HB ARG 59 9.724 3.703 -2.100 364 HB3 ARG 59 2HB ARG 59 11.444 3.708 -2.463 365 HG2 ARG 59 1HG ARG 59 9.515 4.840 -4.436 366 HG3 ARG 59 2HG ARG 59 9.986 5.782 -3.021 367 HD2 ARG 59 1HD ARG 59 12.300 5.670 -3.642 368 HD3 ARG 59 2HD ARG 59 11.941 4.542 -4.949 369 HE ARG 59 HE ARG 59 10.551 7.031 -5.213 370 HH11 ARG 59 1HH1 ARG 59 13.570 5.396 -5.789 371 HH12 ARG 59 2HH1 ARG 59 14.037 6.440 -7.091 372 HH21 ARG 59 1HH2 ARG 59 11.154 8.412 -6.926 373 HH22 ARG 59 2HH2 ARG 59 12.662 8.155 -7.736 374 H GLU 60 H GLU 60 12.708 2.172 -3.044 375 HA GLU 60 HA GLU 60 12.289 -0.523 -1.928 376 HB2 GLU 60 1HB GLU 60 14.698 0.672 -3.296 377 HB3 GLU 60 2HB GLU 60 14.764 -0.827 -2.381 378 HG2 GLU 60 1HG GLU 60 13.100 -1.810 -3.883 379 HG3 GLU 60 2HG GLU 60 13.062 -0.311 -4.809 380 H CYS 61 H CYS 61 12.667 -0.790 0.172 381 HA CYS 61 HA CYS 61 14.280 1.239 1.572 382 HB2 CYS 61 1HB CYS 61 11.595 0.125 2.203 383 HB3 CYS 61 2HB CYS 61 12.680 0.420 3.556 384 HG CYS 61 HG CYS 61 10.830 2.559 3.174 385 HA PRO 62 HA PRO 62 16.713 -1.964 3.319 386 HB2 PRO 62 1HB PRO 62 17.094 -1.106 5.866 387 HB3 PRO 62 2HB PRO 62 17.863 -0.342 4.470 388 HG2 PRO 62 1HG PRO 62 15.421 0.500 5.984 389 HG3 PRO 62 2HG PRO 62 16.761 1.492 5.380 390 HD2 PRO 62 1HD PRO 62 14.383 1.317 4.096 391 HD3 PRO 62 2HD PRO 62 15.919 1.548 3.235 392 H GLU 63 H GLU 63 13.574 -1.395 4.439 393 HA GLU 63 HA GLU 63 13.637 -3.669 6.289 394 HB2 GLU 63 1HB GLU 63 11.679 -1.434 5.834 395 HB3 GLU 63 2HB GLU 63 11.213 -2.882 6.714 396 HG2 GLU 63 1HG GLU 63 13.390 -0.940 7.445 397 HG3 GLU 63 2HG GLU 63 11.852 -1.182 8.273 398 H GLY 64 H GLY 64 12.736 -2.816 3.114 399 HA2 GLY 64 1HA GLY 64 12.291 -5.148 1.973 400 HA3 GLY 64 2HA GLY 64 10.796 -4.994 2.884 401 H HIS 65 H HIS 65 9.147 -4.182 1.790 402 HA HIS 65 HA HIS 65 9.719 -2.510 -0.563 403 HB2 HIS 65 1HB HIS 65 7.408 -4.337 0.087 404 HB3 HIS 65 2HB HIS 65 7.347 -3.169 -1.230 405 HD1 HIS 65 1HD HIS 65 8.802 -3.654 -3.312 406 HD2 HIS 65 2HD HIS 65 9.012 -6.581 -0.371 407 HE1 HIS 65 1HE HIS 65 9.918 -5.625 -4.404 408 HE2 HIS 65 2HE HIS 65 9.957 -7.413 -2.631 409 H VAL 66 H VAL 66 8.959 -0.480 -0.681 410 HA VAL 66 HA VAL 66 7.049 0.404 1.382 411 HB VAL 66 HB VAL 66 9.400 1.165 1.838 412 HG11 VAL 66 1HG1 VAL 66 9.433 1.718 -0.868 413 HG12 VAL 66 2HG1 VAL 66 9.320 3.311 -0.116 414 HG13 VAL 66 3HG1 VAL 66 10.639 2.222 0.315 415 HG21 VAL 66 1HG2 VAL 66 8.251 2.684 2.985 416 HG22 VAL 66 2HG2 VAL 66 8.376 3.753 1.587 417 HG23 VAL 66 3HG2 VAL 66 6.969 2.707 1.774 418 H VAL 67 H VAL 67 5.448 1.773 0.738 419 HA VAL 67 HA VAL 67 5.516 2.825 -1.997 420 HB VAL 67 HB VAL 67 3.160 1.306 -0.869 421 HG11 VAL 67 1HG1 VAL 67 3.601 2.624 -3.545 422 HG12 VAL 67 2HG1 VAL 67 2.238 1.575 -3.149 423 HG13 VAL 67 3HG1 VAL 67 2.447 3.109 -2.304 424 HG21 VAL 67 1HG2 VAL 67 5.498 0.342 -2.126 425 HG22 VAL 67 2HG2 VAL 67 4.035 -0.553 -1.714 426 HG23 VAL 67 3HG2 VAL 67 4.185 0.210 -3.296 427 H THR 68 H THR 68 4.753 4.845 -2.157 428 HA THR 68 HA THR 68 3.284 5.943 0.152 429 HB THR 68 HB THR 68 5.117 7.481 -1.695 430 HG1 THR 68 1HG THR 68 6.383 6.132 -0.431 431 HG21 THR 68 1HG2 THR 68 3.187 8.651 -0.470 432 HG22 THR 68 2HG2 THR 68 4.806 9.323 -0.277 433 HG23 THR 68 3HG2 THR 68 4.104 8.333 1.002 434 H TYR 69 H TYR 69 1.476 7.146 -0.216 435 HA TYR 69 HA TYR 69 0.761 7.843 -2.961 436 HB2 TYR 69 1HB TYR 69 -1.369 6.764 -2.892 437 HB3 TYR 69 2HB TYR 69 -0.171 5.559 -2.435 438 HD1 TYR 69 1HD TYR 69 -2.737 7.865 -1.078 439 HD2 TYR 69 2HD TYR 69 -0.296 4.456 -0.353 440 HE1 TYR 69 1HE TYR 69 -3.992 7.413 0.989 441 HE2 TYR 69 2HE TYR 69 -1.546 3.994 1.714 442 HH TYR 69 HH TYR 69 -2.928 5.294 3.358 443 H THR 70 H THR 70 -1.123 9.289 -3.064 444 HA THR 70 HA THR 70 -1.510 10.809 -0.569 445 HB THR 70 HB THR 70 -1.147 11.956 -3.344 446 HG1 THR 70 1HG THR 70 0.420 12.272 -0.982 447 HG21 THR 70 1HG2 THR 70 -2.599 12.985 -1.143 448 HG22 THR 70 2HG2 THR 70 -2.191 13.797 -2.654 449 HG23 THR 70 3HG2 THR 70 -1.107 13.916 -1.269 450 HA PRO 71 HA PRO 71 -5.767 9.908 -1.561 451 HB2 PRO 71 1HB PRO 71 -6.815 11.145 0.616 452 HB3 PRO 71 2HB PRO 71 -6.057 9.550 0.690 453 HG2 PRO 71 1HG PRO 71 -4.914 12.226 1.396 454 HG3 PRO 71 2HG PRO 71 -4.770 10.684 2.260 455 HD2 PRO 71 1HD PRO 71 -2.804 11.652 0.670 456 HD3 PRO 71 2HD PRO 71 -3.105 9.913 0.865 457 H MET 72 H MET 72 -7.572 11.057 -2.293 458 HA MET 72 HA MET 72 -7.171 13.958 -2.625 459 HB2 MET 72 1HB MET 72 -8.679 12.272 -4.605 460 HB3 MET 72 2HB MET 72 -7.990 13.875 -4.826 461 HG2 MET 72 1HG MET 72 -6.140 11.635 -4.226 462 HG3 MET 72 2HG MET 72 -6.865 11.711 -5.831 463 HE1 MET 72 1HE MET 72 -5.953 15.372 -6.830 464 HE2 MET 72 2HE MET 72 -5.942 13.859 -7.736 465 HE3 MET 72 3HE MET 72 -7.289 14.233 -6.660 466 H ALA 73 H ALA 73 -9.312 11.371 -1.803 467 HA ALA 73 HA ALA 73 -11.313 13.333 -0.954 468 HB1 ALA 73 1HB ALA 73 -11.855 10.946 -2.702 469 HB2 ALA 73 2HB ALA 73 -13.114 11.764 -1.776 470 HB3 ALA 73 3HB ALA 73 -12.225 12.641 -3.022 471 HA PRO 74 HA PRO 74 -11.308 10.946 2.744 472 HB2 PRO 74 1HB PRO 74 -13.729 11.666 3.739 473 HB3 PRO 74 2HB PRO 74 -12.332 12.749 3.733 474 HG2 PRO 74 1HG PRO 74 -14.649 12.638 1.842 475 HG3 PRO 74 2HG PRO 74 -13.860 14.053 2.562 476 HD2 PRO 74 1HD PRO 74 -13.356 13.235 0.030 477 HD3 PRO 74 2HD PRO 74 -12.125 14.014 1.044 478 H GLY 75 H GLY 75 -11.443 8.785 2.443 479 HA2 GLY 75 1HA GLY 75 -13.989 7.508 2.640 480 HA3 GLY 75 2HA GLY 75 -13.323 7.355 1.021 481 H ASN 76 H ASN 76 -13.514 5.024 1.710 482 HA ASN 76 HA ASN 76 -11.222 4.182 3.344 483 HB2 ASN 76 1HB ASN 76 -12.426 1.915 3.236 484 HB3 ASN 76 2HB ASN 76 -13.173 3.182 4.204 485 HD21 ASN 76 1HD2 ASN 76 -15.267 3.354 3.951 486 HD22 ASN 76 2HD2 ASN 76 -16.161 2.973 2.522 487 H TYR 77 H TYR 77 -9.490 4.061 2.027 488 HA TYR 77 HA TYR 77 -9.738 2.955 -0.647 489 HB2 TYR 77 1HB TYR 77 -7.383 4.092 0.867 490 HB3 TYR 77 2HB TYR 77 -7.284 3.473 -0.777 491 HD1 TYR 77 1HD TYR 77 -8.864 6.079 1.332 492 HD2 TYR 77 2HD TYR 77 -7.918 4.809 -2.617 493 HE1 TYR 77 1HE TYR 77 -9.533 8.283 0.469 494 HE2 TYR 77 2HE TYR 77 -8.583 7.010 -3.491 495 HH TYR 77 HH TYR 77 -9.846 9.536 -1.337 496 H LEU 78 H LEU 78 -9.618 0.849 -0.998 497 HA LEU 78 HA LEU 78 -8.654 -0.970 0.998 498 HB2 LEU 78 1HB LEU 78 -10.535 -1.252 -0.802 499 HB3 LEU 78 2HB LEU 78 -9.200 -1.787 -1.821 500 HG LEU 78 HG LEU 78 -10.406 -3.665 -0.810 501 HD11 LEU 78 1HD1 LEU 78 -7.883 -3.631 -1.260 502 HD12 LEU 78 2HD1 LEU 78 -8.522 -4.907 -0.226 503 HD13 LEU 78 3HD1 LEU 78 -7.709 -3.517 0.491 504 HD21 LEU 78 1HD2 LEU 78 -9.347 -2.821 1.865 505 HD22 LEU 78 2HD2 LEU 78 -10.587 -4.017 1.486 506 HD23 LEU 78 3HD2 LEU 78 -10.935 -2.297 1.303 507 H ILE 79 H ILE 79 -6.596 -1.465 1.307 508 HA ILE 79 HA ILE 79 -4.715 -1.183 -0.935 509 HB ILE 79 HB ILE 79 -4.188 -1.232 2.038 510 HG12 ILE 79 1HG1 ILE 79 -3.710 1.018 0.085 511 HG13 ILE 79 2HG1 ILE 79 -5.217 0.847 0.977 512 HG21 ILE 79 1HG2 ILE 79 -1.852 -0.554 1.263 513 HG22 ILE 79 2HG2 ILE 79 -2.308 -2.246 1.076 514 HG23 ILE 79 3HG2 ILE 79 -2.331 -1.168 -0.319 515 HD11 ILE 79 1HD1 ILE 79 -4.249 1.388 2.980 516 HD12 ILE 79 2HD1 ILE 79 -2.643 0.867 2.469 517 HD13 ILE 79 3HD1 ILE 79 -3.313 2.383 1.866 518 H ALA 80 H ALA 80 -4.485 -3.073 -1.957 519 HA ALA 80 HA ALA 80 -4.506 -5.570 -0.449 520 HB1 ALA 80 1HB ALA 80 -5.733 -5.156 -2.677 521 HB2 ALA 80 2HB ALA 80 -4.147 -5.376 -3.416 522 HB3 ALA 80 3HB ALA 80 -4.863 -6.675 -2.462 523 H ILE 81 H ILE 81 -2.760 -6.830 -0.098 524 HA ILE 81 HA ILE 81 -0.234 -6.139 -1.424 525 HB ILE 81 HB ILE 81 -0.529 -6.564 1.552 526 HG12 ILE 81 1HG1 ILE 81 0.431 -4.091 0.112 527 HG13 ILE 81 2HG1 ILE 81 -1.249 -4.322 0.583 528 HG21 ILE 81 1HG2 ILE 81 1.727 -6.671 1.752 529 HG22 ILE 81 2HG2 ILE 81 1.589 -7.337 0.125 530 HG23 ILE 81 3HG2 ILE 81 2.011 -5.640 0.350 531 HD11 ILE 81 1HD1 ILE 81 -0.396 -3.070 2.317 532 HD12 ILE 81 2HD1 ILE 81 -0.275 -4.714 2.944 533 HD13 ILE 81 3HD1 ILE 81 1.155 -3.908 2.299 534 H LYS 82 H LYS 82 0.352 -7.914 -2.476 535 HA LYS 82 HA LYS 82 -0.035 -10.522 -1.159 536 HB2 LYS 82 1HB LYS 82 0.133 -9.950 -4.123 537 HB3 LYS 82 2HB LYS 82 -0.145 -11.521 -3.385 538 HG2 LYS 82 1HG LYS 82 -2.197 -10.289 -2.303 539 HG3 LYS 82 2HG LYS 82 -1.991 -9.210 -3.685 540 HD2 LYS 82 1HD LYS 82 -1.865 -11.513 -4.991 541 HD3 LYS 82 2HD LYS 82 -2.802 -12.070 -3.602 542 HE2 LYS 82 1HE LYS 82 -4.343 -11.395 -5.293 543 HE3 LYS 82 2HE LYS 82 -4.384 -10.180 -4.018 544 HZ1 LYS 82 1HZ LYS 82 -3.424 -9.963 -6.760 545 HZ2 LYS 82 2HZ LYS 82 -2.548 -9.118 -5.586 546 HZ3 LYS 82 3HZ LYS 82 -4.199 -8.813 -5.790 547 H TYR 83 H TYR 83 1.585 -12.178 -1.703 548 HA TYR 83 HA TYR 83 4.144 -11.275 -2.697 549 HB2 TYR 83 1HB TYR 83 3.998 -10.633 -0.218 550 HB3 TYR 83 2HB TYR 83 4.065 -12.361 0.113 551 HD1 TYR 83 2HD TYR 83 5.921 -9.589 -1.523 552 HD2 TYR 83 1HD TYR 83 6.123 -13.485 0.175 553 HE1 TYR 83 2HE TYR 83 8.376 -9.511 -1.651 554 HE2 TYR 83 1HE TYR 83 8.579 -13.417 0.053 555 HH TYR 83 HH TYR 83 10.371 -12.021 -0.228 556 H GLY 84 H GLY 84 4.995 -12.879 -3.843 557 HA2 GLY 84 1HA GLY 84 5.155 -14.980 -4.795 558 HA3 GLY 84 2HA GLY 84 5.541 -15.436 -3.142 559 H GLY 85 H GLY 85 2.552 -14.500 -4.858 560 HA2 GLY 85 1HA GLY 85 1.279 -16.884 -5.069 561 HA3 GLY 85 2HA GLY 85 1.043 -16.466 -3.378 562 HA PRO 86 HA PRO 86 -1.887 -14.160 -6.438 563 HB2 PRO 86 1HB PRO 86 -3.914 -15.947 -6.702 564 HB3 PRO 86 2HB PRO 86 -2.551 -15.867 -7.825 565 HG2 PRO 86 1HG PRO 86 -3.007 -17.732 -5.528 566 HG3 PRO 86 2HG PRO 86 -2.395 -18.088 -7.154 567 HD2 PRO 86 1HD PRO 86 -0.765 -17.833 -5.006 568 HD3 PRO 86 2HD PRO 86 -0.265 -17.369 -6.645 569 H GLN 87 H GLN 87 -1.976 -15.803 -3.467 570 HA GLN 87 HA GLN 87 -4.544 -14.683 -2.662 571 HB2 GLN 87 1HB GLN 87 -4.304 -15.976 -0.647 572 HB3 GLN 87 2HB GLN 87 -3.911 -17.004 -2.019 573 HG2 GLN 87 1HG GLN 87 -1.481 -16.428 -1.554 574 HG3 GLN 87 2HG GLN 87 -2.047 -15.775 -0.018 575 HE21 GLN 87 1HE2 GLN 87 -0.241 -17.923 -0.312 576 HE22 GLN 87 2HE2 GLN 87 -0.983 -19.337 0.347 577 H HIS 88 H HIS 88 -4.541 -13.733 -0.346 578 HA HIS 88 HA HIS 88 -2.679 -11.502 -0.377 579 HB2 HIS 88 1HB HIS 88 -5.203 -12.099 1.148 580 HB3 HIS 88 2HB HIS 88 -4.153 -10.762 1.608 581 HD1 HIS 88 1HD HIS 88 -5.487 -8.780 0.893 582 HD2 HIS 88 2HD HIS 88 -5.232 -11.666 -2.085 583 HE1 HIS 88 1HE HIS 88 -6.525 -7.737 -1.146 584 HE2 HIS 88 2HE HIS 88 -6.437 -9.532 -2.910 585 H ILE 89 H ILE 89 -1.531 -10.823 1.537 586 HA ILE 89 HA ILE 89 -0.324 -13.066 2.901 587 HB ILE 89 HB ILE 89 1.215 -11.433 3.857 588 HG12 ILE 89 1HG1 ILE 89 -0.077 -9.230 2.297 589 HG13 ILE 89 2HG1 ILE 89 -0.723 -9.648 3.880 590 HG21 ILE 89 1HG2 ILE 89 2.366 -11.604 1.970 591 HG22 ILE 89 2HG2 ILE 89 0.878 -12.006 1.114 592 HG23 ILE 89 3HG2 ILE 89 1.399 -10.325 1.237 593 HD11 ILE 89 1HD1 ILE 89 1.425 -7.960 3.294 594 HD12 ILE 89 2HD1 ILE 89 0.879 -8.503 4.881 595 HD13 ILE 89 3HD1 ILE 89 2.126 -9.405 4.021 596 H VAL 90 H VAL 90 0.064 -12.967 5.273 597 HA VAL 90 HA VAL 90 -2.267 -13.067 6.733 598 HB VAL 90 HB VAL 90 -0.250 -14.076 7.581 599 HG11 VAL 90 1HG1 VAL 90 1.729 -13.049 7.807 600 HG12 VAL 90 2HG1 VAL 90 1.018 -11.794 6.789 601 HG13 VAL 90 3HG1 VAL 90 1.012 -11.617 8.544 602 HG21 VAL 90 1HG2 VAL 90 -2.076 -12.741 9.104 603 HG22 VAL 90 2HG2 VAL 90 -0.840 -13.831 9.732 604 HG23 VAL 90 3HG2 VAL 90 -0.553 -12.091 9.712 605 H GLY 91 H GLY 91 -3.698 -11.485 7.027 606 HA2 GLY 91 1HA GLY 91 -4.226 -9.537 8.387 607 HA3 GLY 91 2HA GLY 91 -2.678 -8.859 7.907 608 H SER 92 H SER 92 -2.770 -9.362 5.160 609 HA SER 92 HA SER 92 -4.306 -7.152 4.281 610 HB2 SER 92 1HB SER 92 -2.747 -9.289 2.837 611 HB3 SER 92 2HB SER 92 -3.646 -8.050 1.963 612 HG SER 92 HG SER 92 -2.398 -6.480 3.039 613 HA PRO 93 HA PRO 93 -5.021 -6.612 2.051 614 HB2 PRO 93 1HB PRO 93 -7.342 -5.244 1.718 615 HB3 PRO 93 2HB PRO 93 -6.777 -6.470 0.577 616 HG2 PRO 93 1HG PRO 93 -8.805 -6.710 2.765 617 HG3 PRO 93 2HG PRO 93 -8.865 -7.344 1.110 618 HD2 PRO 93 1HD PRO 93 -8.217 -8.888 3.238 619 HD3 PRO 93 2HD PRO 93 -7.535 -9.155 1.621 620 H PHE 94 H PHE 94 -5.563 -4.171 2.578 621 HA PHE 94 HA PHE 94 -6.026 -3.922 5.474 622 HB2 PHE 94 1HB PHE 94 -3.806 -2.752 3.810 623 HB3 PHE 94 2HB PHE 94 -4.280 -2.037 5.348 624 HD1 PHE 94 2HD PHE 94 -4.164 -3.468 7.425 625 HD2 PHE 94 1HD PHE 94 -2.389 -4.607 3.728 626 HE1 PHE 94 2HE PHE 94 -2.725 -5.070 8.614 627 HE2 PHE 94 1HE PHE 94 -0.947 -6.212 4.911 628 HZ PHE 94 HZ PHE 94 -1.113 -6.444 7.357 629 H LYS 95 H LYS 95 -7.590 -2.540 5.960 630 HA LYS 95 HA LYS 95 -8.650 -0.788 3.897 631 HB2 LYS 95 1HB LYS 95 -9.952 -2.291 5.644 632 HB3 LYS 95 2HB LYS 95 -9.762 -0.873 6.667 633 HG2 LYS 95 1HG LYS 95 -11.034 0.472 5.232 634 HG3 LYS 95 2HG LYS 95 -10.915 -0.685 3.905 635 HD2 LYS 95 1HD LYS 95 -12.217 -1.518 6.459 636 HD3 LYS 95 2HD LYS 95 -13.111 -0.504 5.324 637 HE2 LYS 95 1HE LYS 95 -12.973 -2.128 3.615 638 HE3 LYS 95 2HE LYS 95 -11.745 -3.047 4.485 639 HZ1 LYS 95 1HZ LYS 95 -13.972 -4.058 4.584 640 HZ2 LYS 95 2HZ LYS 95 -14.546 -2.696 5.407 641 HZ3 LYS 95 3HZ LYS 95 -13.365 -3.678 6.116 642 H ALA 96 H ALA 96 -8.176 1.298 3.737 643 HA ALA 96 HA ALA 96 -6.977 2.644 6.070 644 HB1 ALA 96 1HB ALA 96 -5.827 4.111 4.448 645 HB2 ALA 96 2HB ALA 96 -5.370 2.415 4.285 646 HB3 ALA 96 3HB ALA 96 -6.494 3.140 3.135 647 H LYS 97 H LYS 97 -8.129 4.231 6.934 648 HA LYS 97 HA LYS 97 -10.281 5.441 5.334 649 HB2 LYS 97 1HB LYS 97 -11.150 4.361 7.288 650 HB3 LYS 97 2HB LYS 97 -9.942 5.121 8.317 651 HG2 LYS 97 1HG LYS 97 -10.969 7.326 7.771 652 HG3 LYS 97 2HG LYS 97 -12.253 6.457 6.928 653 HD2 LYS 97 1HD LYS 97 -12.516 5.166 9.155 654 HD3 LYS 97 2HD LYS 97 -11.609 6.509 9.855 655 HE2 LYS 97 1HE LYS 97 -13.981 6.918 10.077 656 HE3 LYS 97 2HE LYS 97 -13.280 8.075 8.947 657 HZ1 LYS 97 1HZ LYS 97 -14.287 7.066 7.154 658 HZ2 LYS 97 2HZ LYS 97 -15.476 6.899 8.346 659 HZ3 LYS 97 3HZ LYS 97 -14.490 5.584 7.945 660 H VAL 98 H VAL 98 -9.715 7.331 4.485 661 HA VAL 98 HA VAL 98 -7.815 9.047 5.901 662 HB VAL 98 HB VAL 98 -8.933 9.298 3.105 663 HG11 VAL 98 1HG1 VAL 98 -7.814 11.234 2.843 664 HG12 VAL 98 2HG1 VAL 98 -7.935 11.321 4.601 665 HG13 VAL 98 3HG1 VAL 98 -6.463 10.710 3.846 666 HG21 VAL 98 1HG2 VAL 98 -6.711 8.573 2.378 667 HG22 VAL 98 2HG2 VAL 98 -6.231 8.351 4.060 668 HG23 VAL 98 3HG2 VAL 98 -7.499 7.341 3.364 669 H THR 99 H THR 99 -8.374 10.904 6.859 670 HA THR 99 HA THR 99 -11.189 11.733 6.684 671 HB THR 99 HB THR 99 -10.891 12.841 8.817 672 HG1 THR 99 1HG THR 99 -8.712 12.355 9.849 673 HG21 THR 99 1HG2 THR 99 -11.508 10.603 9.135 674 HG22 THR 99 2HG2 THR 99 -10.120 10.817 10.202 675 HG23 THR 99 3HG2 THR 99 -9.923 10.003 8.651 676 H GLY 100 H GLY 100 -11.709 13.987 6.586 677 HA2 GLY 100 1HA GLY 100 -10.774 16.290 6.442 678 HA3 GLY 100 2HA GLY 100 -9.552 15.609 5.378 679 HA PRO 101 HA PRO 101 -13.301 17.243 2.992 680 HB2 PRO 101 1HB PRO 101 -12.062 19.344 1.799 681 HB3 PRO 101 2HB PRO 101 -12.884 19.473 3.358 682 HG2 PRO 101 1HG PRO 101 -9.964 19.158 2.777 683 HG3 PRO 101 2HG PRO 101 -10.763 20.215 3.956 684 HD2 PRO 101 1HD PRO 101 -9.605 17.868 4.652 685 HD3 PRO 101 2HD PRO 101 -11.034 18.513 5.486 686 H ARG 102 H ARG 102 -13.448 17.411 0.618 687 HA ARG 102 HA ARG 102 -11.813 15.424 -0.637 688 HB2 ARG 102 1HB ARG 102 -14.182 17.053 -1.401 689 HB3 ARG 102 2HB ARG 102 -13.199 16.397 -2.703 690 HG2 ARG 102 1HG ARG 102 -13.508 14.147 -1.814 691 HG3 ARG 102 2HG ARG 102 -14.483 14.801 -0.496 692 HD2 ARG 102 1HD ARG 102 -15.145 15.106 -3.421 693 HD3 ARG 102 2HD ARG 102 -15.812 13.851 -2.378 694 HE ARG 102 HE ARG 102 -17.162 15.430 -1.371 695 HH11 ARG 102 1HH1 ARG 102 -14.859 16.978 -3.473 696 HH12 ARG 102 2HH1 ARG 102 -15.643 18.522 -3.411 697 HH21 ARG 102 1HH2 ARG 102 -18.203 17.458 -1.280 698 HH22 ARG 102 2HH2 ARG 102 -17.544 18.794 -2.162 699 H LEU 103 H LEU 103 -9.713 16.180 -0.740 700 HA LEU 103 HA LEU 103 -9.109 18.752 -1.891 701 HB2 LEU 103 1HB LEU 103 -7.565 16.506 -0.718 702 HB3 LEU 103 2HB LEU 103 -6.722 17.581 -1.831 703 HG LEU 103 HG LEU 103 -8.235 18.766 0.450 704 HD11 LEU 103 1HD1 LEU 103 -6.895 18.009 2.056 705 HD12 LEU 103 2HD1 LEU 103 -5.450 18.257 1.076 706 HD13 LEU 103 3HD1 LEU 103 -6.382 16.769 0.911 707 HD21 LEU 103 1HD2 LEU 103 -5.656 19.490 -0.937 708 HD22 LEU 103 2HD2 LEU 103 -6.475 20.440 0.303 709 HD23 LEU 103 3HD2 LEU 103 -7.237 20.198 -1.270 710 H SER 104 H SER 104 -9.889 18.726 -3.988 711 HA SER 104 HA SER 104 -9.771 18.443 -6.243 712 HB2 SER 104 1HB SER 104 -7.235 18.529 -5.609 713 HB3 SER 104 2HB SER 104 -7.274 16.801 -5.958 714 HG SER 104 HG SER 104 -6.727 18.066 -7.799 715 H GLY 105 H GLY 105 -11.303 16.641 -4.742 716 HA2 GLY 105 1HA GLY 105 -10.820 14.019 -5.964 717 HA3 GLY 105 2HA GLY 105 -11.939 14.355 -4.651 718 H SER 106 H SER 106 -11.603 13.874 -7.978 719 HA SER 106 HA SER 106 -14.105 15.183 -8.675 720 HB2 SER 106 1HB SER 106 -12.212 13.539 -10.373 721 HB3 SER 106 2HB SER 106 -13.601 14.447 -10.971 722 HG SER 106 HG SER 106 -11.633 15.610 -11.187 723 H GLY 107 H GLY 107 -15.980 14.141 -9.283 724 HA2 GLY 107 1HA GLY 107 -16.166 11.307 -9.567 725 HA3 GLY 107 2HA GLY 107 -16.727 11.826 -7.985 726 HA PRO 108 HA PRO 108 -19.892 12.522 -11.555 727 HB2 PRO 108 1HB PRO 108 -21.150 10.117 -11.639 728 HB3 PRO 108 2HB PRO 108 -19.775 10.519 -12.675 729 HG2 PRO 108 1HG PRO 108 -19.833 8.943 -10.130 730 HG3 PRO 108 2HG PRO 108 -18.954 8.609 -11.633 731 HD2 PRO 108 1HD PRO 108 -17.765 9.711 -9.465 732 HD3 PRO 108 2HD PRO 108 -17.267 10.094 -11.125 733 H SER 109 H SER 109 -21.603 13.550 -10.752 734 HA SER 109 HA SER 109 -22.865 12.487 -8.309 735 HB2 SER 109 1HB SER 109 -22.156 15.258 -9.142 736 HB3 SER 109 2HB SER 109 -23.639 15.040 -8.212 737 HG SER 109 HG SER 109 -22.502 14.510 -6.499 738 H SER 110 H SER 110 -24.524 11.321 -9.158 739 HA SER 110 HA SER 110 -26.135 12.300 -11.325 740 HB2 SER 110 1HB SER 110 -26.326 9.899 -9.509 741 HB3 SER 110 2HB SER 110 -27.574 10.272 -10.698 742 HG SER 110 HG SER 110 -25.501 10.420 -12.119 743 H GLY 111 H GLY 111 -28.197 13.125 -11.263 744 HA2 GLY 111 1HA GLY 111 -30.157 13.957 -10.342 745 HA3 GLY 111 2HA GLY 111 -29.651 13.333 -8.779 Start of MODEL 8 1 H1 GLY 1 H GLY 1 18.967 -31.626 -0.023 2 HA2 GLY 1 1HA GLY 1 21.326 -31.426 0.374 3 HA3 GLY 1 2HA GLY 1 21.257 -29.795 -0.277 4 H SER 2 H SER 2 22.567 -30.025 2.008 5 HA SER 2 HA SER 2 20.678 -29.011 4.031 6 HB2 SER 2 1HB SER 2 22.193 -29.930 5.766 7 HB3 SER 2 2HB SER 2 21.524 -31.190 4.731 8 HG SER 2 HG SER 2 23.628 -30.708 3.492 9 H SER 3 H SER 3 21.826 -27.638 5.715 10 HA SER 3 HA SER 3 22.833 -25.638 6.145 11 HB2 SER 3 1HB SER 3 25.009 -27.173 4.734 12 HB3 SER 3 2HB SER 3 25.288 -25.554 5.375 13 HG SER 3 HG SER 3 25.330 -26.345 7.324 14 H GLY 4 H GLY 4 21.101 -25.462 4.022 15 HA2 GLY 4 1HA GLY 4 22.458 -23.444 2.359 16 HA3 GLY 4 2HA GLY 4 21.450 -24.669 1.602 17 H SER 5 H SER 5 19.393 -24.162 1.254 18 HA SER 5 HA SER 5 18.351 -21.703 2.419 19 HB2 SER 5 1HB SER 5 17.520 -23.450 0.117 20 HB3 SER 5 2HB SER 5 16.412 -22.248 0.779 21 HG SER 5 HG SER 5 18.019 -21.702 -1.033 22 H SER 6 H SER 6 17.094 -21.720 4.150 23 HA SER 6 HA SER 6 16.095 -24.171 5.249 24 HB2 SER 6 1HB SER 6 16.830 -22.528 6.815 25 HB3 SER 6 2HB SER 6 15.825 -21.279 6.080 26 HG SER 6 HG SER 6 15.072 -23.443 7.712 27 H GLY 7 H GLY 7 14.407 -21.144 4.377 28 HA2 GLY 7 1HA GLY 7 12.295 -22.678 3.093 29 HA3 GLY 7 2HA GLY 7 11.824 -21.811 4.547 30 H ALA 8 H ALA 8 12.256 -21.619 1.206 31 HA ALA 8 HA ALA 8 12.237 -18.680 1.248 32 HB1 ALA 8 1HB ALA 8 13.995 -19.574 -0.118 33 HB2 ALA 8 2HB ALA 8 12.858 -20.610 -0.983 34 HB3 ALA 8 3HB ALA 8 12.775 -18.858 -1.172 35 H GLY 9 H GLY 9 10.642 -17.511 0.176 36 HA2 GLY 9 1HA GLY 9 8.583 -17.082 -0.760 37 HA3 GLY 9 2HA GLY 9 8.568 -18.740 -1.345 38 H ASP 10 H ASP 10 7.605 -16.581 1.197 39 HA ASP 10 HA ASP 10 5.525 -18.398 2.004 40 HB2 ASP 10 1HB ASP 10 7.866 -17.817 3.798 41 HB3 ASP 10 2HB ASP 10 6.277 -18.156 4.478 42 HA PRO 11 HA PRO 11 4.025 -14.154 2.275 43 HB2 PRO 11 1HB PRO 11 1.402 -14.844 2.164 44 HB3 PRO 11 2HB PRO 11 2.428 -14.737 0.729 45 HG2 PRO 11 1HG PRO 11 1.607 -17.153 2.295 46 HG3 PRO 11 2HG PRO 11 1.691 -16.934 0.537 47 HD2 PRO 11 1HD PRO 11 3.619 -18.218 1.938 48 HD3 PRO 11 2HD PRO 11 3.970 -17.274 0.477 49 H GLY 12 H GLY 12 3.247 -16.936 4.247 50 HA2 GLY 12 1HA GLY 12 1.669 -15.654 6.201 51 HA3 GLY 12 2HA GLY 12 2.581 -17.138 6.434 52 H LEU 13 H LEU 13 5.015 -15.432 5.546 53 HA LEU 13 HA LEU 13 5.531 -14.345 8.231 54 HB2 LEU 13 1HB LEU 13 7.578 -15.118 6.167 55 HB3 LEU 13 2HB LEU 13 7.850 -14.758 7.871 56 HG LEU 13 HG LEU 13 6.485 -17.193 6.727 57 HD11 LEU 13 1HD1 LEU 13 9.135 -16.707 8.054 58 HD12 LEU 13 2HD1 LEU 13 8.807 -17.448 6.488 59 HD13 LEU 13 3HD1 LEU 13 8.398 -18.308 7.973 60 HD21 LEU 13 1HD2 LEU 13 5.485 -16.298 8.867 61 HD22 LEU 13 2HD2 LEU 13 7.043 -16.620 9.628 62 HD23 LEU 13 3HD2 LEU 13 6.108 -17.947 8.937 63 H VAL 14 H VAL 14 4.213 -12.995 5.916 64 HA VAL 14 HA VAL 14 6.072 -10.717 5.699 65 HB VAL 14 HB VAL 14 4.182 -11.801 3.615 66 HG11 VAL 14 1HG1 VAL 14 5.197 -9.758 2.312 67 HG12 VAL 14 2HG1 VAL 14 3.765 -9.564 3.324 68 HG13 VAL 14 3HG1 VAL 14 5.348 -9.078 3.932 69 HG21 VAL 14 1HG2 VAL 14 7.157 -11.335 3.701 70 HG22 VAL 14 2HG2 VAL 14 6.311 -12.877 3.568 71 HG23 VAL 14 3HG2 VAL 14 6.269 -11.731 2.229 72 H SER 15 H SER 15 5.330 -8.838 6.446 73 HA SER 15 HA SER 15 2.447 -8.359 6.565 74 HB2 SER 15 1HB SER 15 3.379 -9.318 8.779 75 HB3 SER 15 2HB SER 15 4.153 -7.745 8.969 76 HG SER 15 HG SER 15 1.775 -8.301 9.710 77 H ALA 16 H ALA 16 1.953 -6.065 7.112 78 HA ALA 16 HA ALA 16 4.115 -4.249 6.275 79 HB1 ALA 16 1HB ALA 16 1.524 -4.718 5.016 80 HB2 ALA 16 2HB ALA 16 1.853 -3.016 5.343 81 HB3 ALA 16 3HB ALA 16 2.980 -3.961 4.370 82 H TYR 17 H TYR 17 3.901 -2.054 7.008 83 HA TYR 17 HA TYR 17 1.925 -1.510 9.070 84 HB2 TYR 17 1HB TYR 17 3.903 -0.695 10.561 85 HB3 TYR 17 2HB TYR 17 3.478 -2.403 10.548 86 HD1 TYR 17 1HD TYR 17 5.833 0.069 9.080 87 HD2 TYR 17 2HD TYR 17 5.070 -4.023 9.962 88 HE1 TYR 17 1HE TYR 17 8.142 -0.492 8.444 89 HE2 TYR 17 2HE TYR 17 7.377 -4.595 9.330 90 HH TYR 17 HH TYR 17 9.509 -3.609 9.051 91 H GLY 18 H GLY 18 1.961 0.752 9.780 92 HA2 GLY 18 1HA GLY 18 3.265 2.913 9.246 93 HA3 GLY 18 2HA GLY 18 2.880 2.485 7.586 94 HA PRO 19 HA PRO 19 -0.556 4.997 9.733 95 HB2 PRO 19 1HB PRO 19 -0.064 7.413 8.597 96 HB3 PRO 19 2HB PRO 19 0.643 6.914 10.138 97 HG2 PRO 19 1HG PRO 19 1.857 6.890 7.401 98 HG3 PRO 19 2HG PRO 19 2.578 7.394 8.941 99 HD2 PRO 19 1HD PRO 19 3.070 4.977 7.823 100 HD3 PRO 19 2HD PRO 19 3.035 5.227 9.581 101 H GLY 20 H GLY 20 0.654 4.355 6.597 102 HA2 GLY 20 1HA GLY 20 -1.539 5.504 5.130 103 HA3 GLY 20 2HA GLY 20 -0.299 4.434 4.490 104 H LEU 21 H LEU 21 -0.813 2.376 6.522 105 HA LEU 21 HA LEU 21 -2.893 0.989 5.120 106 HB2 LEU 21 1HB LEU 21 -1.538 0.143 7.670 107 HB3 LEU 21 2HB LEU 21 -2.353 -0.884 6.491 108 HG LEU 21 HG LEU 21 0.138 0.663 5.819 109 HD11 LEU 21 1HD1 LEU 21 1.460 -1.244 6.354 110 HD12 LEU 21 2HD1 LEU 21 0.032 -2.198 6.752 111 HD13 LEU 21 3HD1 LEU 21 0.503 -0.846 7.781 112 HD21 LEU 21 1HD2 LEU 21 -0.704 -0.045 3.822 113 HD22 LEU 21 2HD2 LEU 21 -1.530 -1.433 4.532 114 HD23 LEU 21 3HD2 LEU 21 0.214 -1.482 4.272 115 H GLU 22 H GLU 22 -2.568 2.572 8.243 116 HA GLU 22 HA GLU 22 -5.193 1.710 9.112 117 HB2 GLU 22 1HB GLU 22 -2.947 3.256 10.313 118 HB3 GLU 22 2HB GLU 22 -4.560 3.509 10.964 119 HG2 GLU 22 1HG GLU 22 -4.701 1.000 11.231 120 HG3 GLU 22 2HG GLU 22 -2.974 0.962 10.880 121 H GLY 23 H GLY 23 -3.843 4.296 7.337 122 HA2 GLY 23 1HA GLY 23 -5.339 5.722 6.086 123 HA3 GLY 23 2HA GLY 23 -6.432 5.701 7.462 124 H GLY 24 H GLY 24 -6.058 8.112 6.621 125 HA2 GLY 24 1HA GLY 24 -4.672 9.414 8.752 126 HA3 GLY 24 2HA GLY 24 -3.802 9.570 7.233 127 H THR 25 H THR 25 -4.115 11.565 6.501 128 HA THR 25 HA THR 25 -6.875 12.600 6.453 129 HB THR 25 HB THR 25 -4.310 14.100 6.976 130 HG1 THR 25 1HG THR 25 -5.357 14.622 8.892 131 HG21 THR 25 1HG2 THR 25 -5.570 15.403 5.373 132 HG22 THR 25 2HG2 THR 25 -5.701 16.152 6.964 133 HG23 THR 25 3HG2 THR 25 -7.043 15.205 6.322 134 H THR 26 H THR 26 -7.339 14.111 4.707 135 HA THR 26 HA THR 26 -6.452 13.141 2.201 136 HB THR 26 HB THR 26 -7.649 15.310 1.371 137 HG1 THR 26 1HG THR 26 -9.025 16.206 2.919 138 HG21 THR 26 1HG2 THR 26 -9.585 13.620 2.827 139 HG22 THR 26 2HG2 THR 26 -8.469 12.771 1.756 140 HG23 THR 26 3HG2 THR 26 -9.509 14.043 1.117 141 H GLY 27 H GLY 27 -5.406 14.368 0.500 142 HA2 GLY 27 1HA GLY 27 -3.634 15.575 -0.320 143 HA3 GLY 27 2HA GLY 27 -4.102 16.810 0.840 144 H VAL 28 H VAL 28 -3.365 13.806 2.249 145 HA VAL 28 HA VAL 28 -0.720 14.828 3.050 146 HB VAL 28 HB VAL 28 -2.583 12.986 4.555 147 HG11 VAL 28 1HG1 VAL 28 -0.346 12.305 5.021 148 HG12 VAL 28 2HG1 VAL 28 0.185 13.977 5.215 149 HG13 VAL 28 3HG1 VAL 28 -0.908 13.255 6.397 150 HG21 VAL 28 1HG2 VAL 28 -2.074 15.146 6.151 151 HG22 VAL 28 2HG2 VAL 28 -2.151 15.880 4.549 152 HG23 VAL 28 3HG2 VAL 28 -3.513 14.937 5.153 153 H SER 29 H SER 29 0.939 13.777 2.199 154 HA SER 29 HA SER 29 0.791 11.470 0.664 155 HB2 SER 29 1HB SER 29 3.297 11.336 1.046 156 HB3 SER 29 2HB SER 29 2.704 12.877 0.428 157 HG SER 29 HG SER 29 2.912 12.526 3.198 158 H SER 30 H SER 30 -0.100 9.652 1.452 159 HA SER 30 HA SER 30 0.792 8.659 4.065 160 HB2 SER 30 1HB SER 30 -1.529 7.736 2.353 161 HB3 SER 30 2HB SER 30 -1.158 7.180 3.985 162 HG SER 30 HG SER 30 -2.117 8.882 4.740 163 H GLU 31 H GLU 31 2.156 7.005 4.205 164 HA GLU 31 HA GLU 31 2.391 5.154 1.937 165 HB2 GLU 31 1HB GLU 31 4.801 5.195 2.047 166 HB3 GLU 31 2HB GLU 31 4.212 6.835 1.816 167 HG2 GLU 31 1HG GLU 31 5.046 5.670 4.463 168 HG3 GLU 31 2HG GLU 31 6.067 6.672 3.433 169 H PHE 32 H PHE 32 3.972 3.284 2.670 170 HA PHE 32 HA PHE 32 3.912 2.595 5.443 171 HB2 PHE 32 1HB PHE 32 2.435 0.632 5.239 172 HB3 PHE 32 2HB PHE 32 1.571 2.132 4.920 173 HD1 PHE 32 1HD PHE 32 3.129 -0.811 3.320 174 HD2 PHE 32 2HD PHE 32 0.502 2.506 2.859 175 HE1 PHE 32 1HE PHE 32 2.372 -1.715 1.161 176 HE2 PHE 32 2HE PHE 32 -0.261 1.606 0.700 177 HZ PHE 32 HZ PHE 32 0.673 -0.507 -0.151 178 H ILE 33 H ILE 33 5.151 0.762 5.918 179 HA ILE 33 HA ILE 33 6.846 -0.123 3.696 180 HB ILE 33 HB ILE 33 7.249 -0.105 6.676 181 HG12 ILE 33 1HG1 ILE 33 8.787 1.062 4.346 182 HG13 ILE 33 2HG1 ILE 33 7.794 1.954 5.494 183 HG21 ILE 33 1HG2 ILE 33 9.449 -1.210 6.211 184 HG22 ILE 33 2HG2 ILE 33 8.040 -2.252 6.017 185 HG23 ILE 33 3HG2 ILE 33 8.846 -1.585 4.597 186 HD11 ILE 33 1HD1 ILE 33 9.808 2.350 6.425 187 HD12 ILE 33 2HD1 ILE 33 9.485 0.800 7.203 188 HD13 ILE 33 3HD1 ILE 33 10.522 0.873 5.778 189 H VAL 34 H VAL 34 7.418 -2.345 3.470 190 HA VAL 34 HA VAL 34 5.479 -4.214 4.671 191 HB VAL 34 HB VAL 34 6.588 -4.362 1.864 192 HG11 VAL 34 1HG1 VAL 34 4.346 -5.998 2.119 193 HG12 VAL 34 2HG1 VAL 34 6.029 -6.512 1.988 194 HG13 VAL 34 3HG1 VAL 34 5.294 -6.291 3.577 195 HG21 VAL 34 1HG2 VAL 34 4.821 -3.223 1.111 196 HG22 VAL 34 2HG2 VAL 34 3.705 -4.095 2.162 197 HG23 VAL 34 3HG2 VAL 34 4.589 -2.700 2.779 198 H ASN 35 H ASN 35 6.666 -5.271 6.153 199 HA ASN 35 HA ASN 35 9.431 -5.864 5.842 200 HB2 ASN 35 1HB ASN 35 8.865 -5.736 8.073 201 HB3 ASN 35 2HB ASN 35 7.313 -6.535 7.835 202 HD21 ASN 35 1HD2 ASN 35 10.796 -7.104 7.837 203 HD22 ASN 35 2HD2 ASN 35 10.707 -8.740 8.387 204 H THR 36 H THR 36 9.880 -7.101 4.079 205 HA THR 36 HA THR 36 8.536 -9.714 3.880 206 HB THR 36 HB THR 36 9.417 -9.751 1.527 207 HG1 THR 36 1HG THR 36 10.055 -7.663 0.700 208 HG21 THR 36 1HG2 THR 36 7.454 -8.907 0.849 209 HG22 THR 36 2HG2 THR 36 7.825 -7.307 1.491 210 HG23 THR 36 3HG2 THR 36 7.158 -8.550 2.550 211 H LEU 37 H LEU 37 11.198 -8.461 5.190 212 HA LEU 37 HA LEU 37 13.335 -9.972 4.172 213 HB2 LEU 37 1HB LEU 37 13.004 -9.081 7.028 214 HB3 LEU 37 2HB LEU 37 14.510 -9.400 6.171 215 HG LEU 37 HG LEU 37 12.634 -7.158 5.443 216 HD11 LEU 37 1HD1 LEU 37 14.445 -7.391 7.680 217 HD12 LEU 37 2HD1 LEU 37 13.295 -6.114 7.288 218 HD13 LEU 37 3HD1 LEU 37 14.917 -6.080 6.599 219 HD21 LEU 37 1HD2 LEU 37 14.774 -6.285 4.416 220 HD22 LEU 37 2HD2 LEU 37 14.048 -7.684 3.625 221 HD23 LEU 37 3HD2 LEU 37 15.448 -7.893 4.678 222 H ASN 38 H ASN 38 11.110 -10.611 6.867 223 HA ASN 38 HA ASN 38 12.203 -12.971 7.808 224 HB2 ASN 38 1HB ASN 38 9.423 -11.863 7.752 225 HB3 ASN 38 2HB ASN 38 9.674 -13.516 8.305 226 HD21 ASN 38 1HD2 ASN 38 12.136 -11.139 8.771 227 HD22 ASN 38 2HD2 ASN 38 11.928 -10.951 10.476 228 H ALA 39 H ALA 39 9.997 -12.464 5.097 229 HA ALA 39 HA ALA 39 9.432 -15.143 4.517 230 HB1 ALA 39 1HB ALA 39 8.289 -14.321 2.772 231 HB2 ALA 39 2HB ALA 39 8.656 -12.750 3.484 232 HB3 ALA 39 3HB ALA 39 9.664 -13.385 2.184 233 H GLY 40 H GLY 40 11.926 -13.007 3.118 234 HA2 GLY 40 1HA GLY 40 14.180 -14.106 2.964 235 HA3 GLY 40 2HA GLY 40 13.329 -15.441 2.201 236 H SER 41 H SER 41 11.946 -14.697 0.249 237 HA SER 41 HA SER 41 12.866 -12.430 -1.221 238 HB2 SER 41 1HB SER 41 14.075 -13.534 -2.978 239 HB3 SER 41 2HB SER 41 14.799 -14.034 -1.450 240 HG SER 41 HG SER 41 14.348 -16.001 -1.989 241 H GLY 42 H GLY 42 11.665 -12.062 -3.111 242 HA2 GLY 42 1HA GLY 42 10.093 -13.636 -4.612 243 HA3 GLY 42 2HA GLY 42 9.125 -13.465 -3.155 244 H ALA 43 H ALA 43 8.025 -12.608 -5.442 245 HA ALA 43 HA ALA 43 8.547 -9.788 -5.833 246 HB1 ALA 43 1HB ALA 43 6.113 -10.862 -7.039 247 HB2 ALA 43 2HB ALA 43 7.480 -10.031 -7.784 248 HB3 ALA 43 3HB ALA 43 7.571 -11.762 -7.458 249 H LEU 44 H LEU 44 6.787 -8.190 -5.710 250 HA LEU 44 HA LEU 44 4.789 -8.814 -3.648 251 HB2 LEU 44 1HB LEU 44 6.376 -7.685 -2.379 252 HB3 LEU 44 2HB LEU 44 6.783 -6.584 -3.693 253 HG LEU 44 HG LEU 44 4.499 -5.551 -3.369 254 HD11 LEU 44 1HD1 LEU 44 4.434 -7.633 -1.308 255 HD12 LEU 44 2HD1 LEU 44 3.114 -6.789 -2.116 256 HD13 LEU 44 3HD1 LEU 44 3.941 -6.033 -0.755 257 HD21 LEU 44 1HD2 LEU 44 6.504 -4.453 -2.585 258 HD22 LEU 44 2HD2 LEU 44 6.500 -5.428 -1.115 259 HD23 LEU 44 3HD2 LEU 44 5.215 -4.253 -1.398 260 H SER 45 H SER 45 2.810 -7.887 -3.922 261 HA SER 45 HA SER 45 2.488 -6.102 -6.245 262 HB2 SER 45 1HB SER 45 1.010 -8.573 -5.478 263 HB3 SER 45 2HB SER 45 0.084 -7.260 -6.203 264 HG SER 45 HG SER 45 1.866 -7.313 -7.852 265 H VAL 46 H VAL 46 1.409 -4.258 -5.908 266 HA VAL 46 HA VAL 46 -0.210 -3.998 -3.465 267 HB VAL 46 HB VAL 46 1.706 -1.890 -4.474 268 HG11 VAL 46 1HG1 VAL 46 -0.177 -2.010 -2.131 269 HG12 VAL 46 2HG1 VAL 46 1.163 -0.865 -2.223 270 HG13 VAL 46 3HG1 VAL 46 -0.123 -0.818 -3.430 271 HG21 VAL 46 1HG2 VAL 46 2.639 -4.036 -3.353 272 HG22 VAL 46 2HG2 VAL 46 3.206 -2.460 -2.803 273 HG23 VAL 46 3HG2 VAL 46 1.992 -3.335 -1.870 274 H THR 47 H THR 47 -2.023 -2.730 -3.626 275 HA THR 47 HA THR 47 -2.505 -1.080 -5.940 276 HB THR 47 HB THR 47 -4.670 -2.334 -6.475 277 HG1 THR 47 1HG THR 47 -4.259 -3.744 -4.509 278 HG21 THR 47 1HG2 THR 47 -3.602 -3.711 -8.101 279 HG22 THR 47 2HG2 THR 47 -2.133 -3.824 -7.132 280 HG23 THR 47 3HG2 THR 47 -2.579 -2.292 -7.882 281 H ILE 48 H ILE 48 -4.151 0.389 -5.627 282 HA ILE 48 HA ILE 48 -5.604 0.204 -3.071 283 HB ILE 48 HB ILE 48 -4.555 2.764 -4.277 284 HG12 ILE 48 1HG1 ILE 48 -3.515 1.303 -1.844 285 HG13 ILE 48 2HG1 ILE 48 -2.763 1.213 -3.432 286 HG21 ILE 48 1HG2 ILE 48 -5.660 2.275 -1.520 287 HG22 ILE 48 2HG2 ILE 48 -5.280 3.822 -2.274 288 HG23 ILE 48 3HG2 ILE 48 -6.632 2.860 -2.870 289 HD11 ILE 48 1HD1 ILE 48 -3.230 3.912 -2.329 290 HD12 ILE 48 2HD1 ILE 48 -1.986 2.927 -1.558 291 HD13 ILE 48 3HD1 ILE 48 -1.884 3.287 -3.281 292 H ASP 49 H ASP 49 -7.732 0.750 -3.091 293 HA ASP 49 HA ASP 49 -8.853 1.889 -5.553 294 HB2 ASP 49 1HB ASP 49 -9.021 -0.730 -5.270 295 HB3 ASP 49 2HB ASP 49 -10.343 -0.313 -4.183 296 H GLY 50 H GLY 50 -9.913 3.675 -5.024 297 HA2 GLY 50 1HA GLY 50 -11.655 3.642 -2.664 298 HA3 GLY 50 2HA GLY 50 -10.435 4.902 -2.775 299 HA PRO 51 HA PRO 51 -14.348 6.459 -4.728 300 HB2 PRO 51 1HB PRO 51 -14.326 8.846 -3.436 301 HB3 PRO 51 2HB PRO 51 -15.063 7.392 -2.753 302 HG2 PRO 51 1HG PRO 51 -12.378 8.594 -2.198 303 HG3 PRO 51 2HG PRO 51 -13.557 7.916 -1.061 304 HD2 PRO 51 1HD PRO 51 -11.383 6.537 -1.900 305 HD3 PRO 51 2HD PRO 51 -12.920 5.745 -1.499 306 H SER 52 H SER 52 -11.079 7.490 -4.451 307 HA SER 52 HA SER 52 -11.283 8.874 -7.003 308 HB2 SER 52 1HB SER 52 -9.733 10.704 -5.901 309 HB3 SER 52 2HB SER 52 -11.488 10.825 -5.779 310 HG SER 52 HG SER 52 -9.670 10.571 -3.817 311 H LYS 53 H LYS 53 -9.801 7.937 -8.228 312 HA LYS 53 HA LYS 53 -7.854 6.196 -7.612 313 HB2 LYS 53 1HB LYS 53 -8.523 7.085 -9.913 314 HB3 LYS 53 2HB LYS 53 -7.337 8.357 -9.649 315 HG2 LYS 53 1HG LYS 53 -5.567 6.718 -9.476 316 HG3 LYS 53 2HG LYS 53 -6.737 5.406 -9.634 317 HD2 LYS 53 1HD LYS 53 -7.205 5.960 -11.878 318 HD3 LYS 53 2HD LYS 53 -6.415 7.532 -11.737 319 HE2 LYS 53 1HE LYS 53 -4.272 6.573 -11.714 320 HE3 LYS 53 2HE LYS 53 -4.904 4.963 -11.369 321 HZ1 LYS 53 1HZ LYS 53 -4.141 5.545 -13.750 322 HZ2 LYS 53 2HZ LYS 53 -5.639 6.320 -13.875 323 HZ3 LYS 53 3HZ LYS 53 -5.569 4.664 -13.537 324 H VAL 54 H VAL 54 -5.900 6.151 -6.666 325 HA VAL 54 HA VAL 54 -4.792 8.717 -5.735 326 HB VAL 54 HB VAL 54 -3.596 7.298 -4.018 327 HG11 VAL 54 1HG1 VAL 54 -5.736 6.936 -2.666 328 HG12 VAL 54 2HG1 VAL 54 -5.400 8.572 -3.234 329 HG13 VAL 54 3HG1 VAL 54 -6.585 7.573 -4.075 330 HG21 VAL 54 1HG2 VAL 54 -5.619 5.210 -4.807 331 HG22 VAL 54 2HG2 VAL 54 -3.921 5.159 -5.277 332 HG23 VAL 54 3HG2 VAL 54 -4.366 5.081 -3.573 333 H GLN 55 H GLN 55 -2.586 9.116 -5.908 334 HA GLN 55 HA GLN 55 -1.239 7.554 -7.978 335 HB2 GLN 55 1HB GLN 55 -1.506 10.148 -7.950 336 HB3 GLN 55 2HB GLN 55 -0.164 10.100 -6.815 337 HG2 GLN 55 1HG GLN 55 0.861 10.441 -8.863 338 HG3 GLN 55 2HG GLN 55 1.039 8.707 -8.595 339 HE21 GLN 55 1HE2 GLN 55 -0.427 11.175 -10.506 340 HE22 GLN 55 2HE2 GLN 55 -1.101 10.140 -11.713 341 H LEU 56 H LEU 56 -0.391 5.791 -6.952 342 HA LEU 56 HA LEU 56 1.163 6.141 -4.519 343 HB2 LEU 56 1HB LEU 56 1.337 3.723 -4.506 344 HB3 LEU 56 2HB LEU 56 -0.339 4.230 -4.709 345 HG LEU 56 HG LEU 56 0.223 3.865 -7.264 346 HD11 LEU 56 1HD1 LEU 56 2.035 2.672 -7.776 347 HD12 LEU 56 2HD1 LEU 56 1.796 1.564 -6.425 348 HD13 LEU 56 3HD1 LEU 56 2.623 3.100 -6.169 349 HD21 LEU 56 1HD2 LEU 56 -1.129 2.074 -7.102 350 HD22 LEU 56 2HD2 LEU 56 -1.252 2.560 -5.411 351 HD23 LEU 56 3HD2 LEU 56 -0.121 1.290 -5.884 352 H ASP 57 H ASP 57 3.359 5.629 -4.323 353 HA ASP 57 HA ASP 57 4.847 5.388 -6.851 354 HB2 ASP 57 1HB ASP 57 5.113 7.416 -4.695 355 HB3 ASP 57 2HB ASP 57 6.606 6.803 -5.401 356 H CYS 58 H CYS 58 5.692 3.406 -6.788 357 HA CYS 58 HA CYS 58 6.383 2.088 -4.344 358 HB2 CYS 58 1HB CYS 58 5.575 0.788 -6.230 359 HB3 CYS 58 2HB CYS 58 6.910 1.349 -7.229 360 HG CYS 58 HG CYS 58 7.184 -1.388 -6.394 361 H ARG 59 H ARG 59 8.360 1.742 -3.441 362 HA ARG 59 HA ARG 59 10.769 2.599 -4.818 363 HB2 ARG 59 1HB ARG 59 9.575 4.042 -2.499 364 HB3 ARG 59 2HB ARG 59 11.324 3.871 -2.553 365 HG2 ARG 59 1HG ARG 59 11.102 4.798 -4.956 366 HG3 ARG 59 2HG ARG 59 9.514 5.345 -4.415 367 HD2 ARG 59 1HD ARG 59 10.810 7.179 -3.919 368 HD3 ARG 59 2HD ARG 59 10.857 6.302 -2.390 369 HE ARG 59 HE ARG 59 13.017 5.526 -4.048 370 HH11 ARG 59 1HH1 ARG 59 11.901 8.139 -2.035 371 HH12 ARG 59 2HH1 ARG 59 13.496 8.698 -1.651 372 HH21 ARG 59 1HH2 ARG 59 15.121 6.252 -3.550 373 HH22 ARG 59 2HH2 ARG 59 15.326 7.624 -2.514 374 H GLU 60 H GLU 60 12.722 2.264 -3.285 375 HA GLU 60 HA GLU 60 12.382 -0.378 -2.078 376 HB2 GLU 60 1HB GLU 60 14.826 1.161 -2.954 377 HB3 GLU 60 2HB GLU 60 14.913 -0.367 -2.089 378 HG2 GLU 60 1HG GLU 60 13.513 -1.352 -3.943 379 HG3 GLU 60 2HG GLU 60 13.796 0.146 -4.827 380 H CYS 61 H CYS 61 13.101 -0.876 0.004 381 HA CYS 61 HA CYS 61 13.968 1.315 1.724 382 HB2 CYS 61 1HB CYS 61 12.245 0.961 3.366 383 HB3 CYS 61 2HB CYS 61 11.469 1.246 1.813 384 HG CYS 61 HG CYS 61 9.954 -0.675 3.068 385 HA PRO 62 HA PRO 62 16.495 -1.779 3.542 386 HB2 PRO 62 1HB PRO 62 16.792 -0.776 6.047 387 HB3 PRO 62 2HB PRO 62 17.579 -0.070 4.630 388 HG2 PRO 62 1HG PRO 62 15.082 0.793 6.037 389 HG3 PRO 62 2HG PRO 62 16.414 1.784 5.413 390 HD2 PRO 62 1HD PRO 62 14.074 1.483 4.083 391 HD3 PRO 62 2HD PRO 62 15.625 1.704 3.248 392 H GLU 63 H GLU 63 13.300 -1.411 4.318 393 HA GLU 63 HA GLU 63 13.384 -3.625 6.262 394 HB2 GLU 63 1HB GLU 63 11.546 -1.264 6.028 395 HB3 GLU 63 2HB GLU 63 11.001 -2.738 6.816 396 HG2 GLU 63 1HG GLU 63 13.003 -2.561 8.315 397 HG3 GLU 63 2HG GLU 63 13.289 -0.966 7.622 398 H GLY 64 H GLY 64 12.993 -3.167 3.133 399 HA2 GLY 64 1HA GLY 64 12.155 -5.292 2.043 400 HA3 GLY 64 2HA GLY 64 10.658 -4.960 2.903 401 H HIS 65 H HIS 65 9.186 -3.615 2.014 402 HA HIS 65 HA HIS 65 9.987 -2.051 -0.340 403 HB2 HIS 65 1HB HIS 65 7.607 -3.903 -0.136 404 HB3 HIS 65 2HB HIS 65 7.816 -2.714 -1.418 405 HD1 HIS 65 1HD HIS 65 9.692 -3.176 -3.167 406 HD2 HIS 65 2HD HIS 65 9.138 -6.211 -0.384 407 HE1 HIS 65 1HE HIS 65 10.923 -5.166 -4.088 408 HE2 HIS 65 2HE HIS 65 10.502 -7.014 -2.429 409 H VAL 66 H VAL 66 8.856 -0.143 -0.677 410 HA VAL 66 HA VAL 66 6.856 0.584 1.354 411 HB VAL 66 HB VAL 66 9.132 1.521 1.907 412 HG11 VAL 66 1HG1 VAL 66 9.520 1.989 -0.634 413 HG12 VAL 66 2HG1 VAL 66 8.708 3.514 -0.274 414 HG13 VAL 66 3HG1 VAL 66 10.188 3.079 0.581 415 HG21 VAL 66 1HG2 VAL 66 7.947 3.026 3.029 416 HG22 VAL 66 2HG2 VAL 66 7.750 3.995 1.569 417 HG23 VAL 66 3HG2 VAL 66 6.580 2.733 1.954 418 H VAL 67 H VAL 67 5.280 2.049 0.700 419 HA VAL 67 HA VAL 67 5.337 2.934 -2.096 420 HB VAL 67 HB VAL 67 3.087 1.391 -0.805 421 HG11 VAL 67 1HG1 VAL 67 2.523 2.000 -3.516 422 HG12 VAL 67 2HG1 VAL 67 1.627 2.480 -2.073 423 HG13 VAL 67 3HG1 VAL 67 2.918 3.509 -2.694 424 HG21 VAL 67 1HG2 VAL 67 3.373 -0.043 -2.827 425 HG22 VAL 67 2HG2 VAL 67 4.811 0.897 -3.229 426 HG23 VAL 67 3HG2 VAL 67 4.762 -0.045 -1.739 427 H THR 68 H THR 68 4.996 5.045 -2.151 428 HA THR 68 HA THR 68 3.482 6.301 0.033 429 HB THR 68 HB THR 68 5.373 7.588 -1.947 430 HG1 THR 68 1HG THR 68 5.864 7.358 0.817 431 HG21 THR 68 1HG2 THR 68 3.504 8.651 0.051 432 HG22 THR 68 2HG2 THR 68 4.253 9.443 -1.336 433 HG23 THR 68 3HG2 THR 68 5.144 9.285 0.177 434 H TYR 69 H TYR 69 1.541 7.148 -0.346 435 HA TYR 69 HA TYR 69 0.825 7.896 -3.095 436 HB2 TYR 69 1HB TYR 69 -1.282 6.792 -2.978 437 HB3 TYR 69 2HB TYR 69 -0.076 5.614 -2.470 438 HD1 TYR 69 1HD TYR 69 -2.574 8.032 -1.148 439 HD2 TYR 69 2HD TYR 69 -0.277 4.528 -0.407 440 HE1 TYR 69 1HE TYR 69 -3.826 7.660 0.936 441 HE2 TYR 69 2HE TYR 69 -1.523 4.145 1.679 442 HH TYR 69 HH TYR 69 -3.276 4.780 2.919 443 H THR 70 H THR 70 -1.076 9.323 -3.202 444 HA THR 70 HA THR 70 -1.442 10.899 -0.740 445 HB THR 70 HB THR 70 -1.135 12.005 -3.539 446 HG1 THR 70 1HG THR 70 0.787 11.300 -2.207 447 HG21 THR 70 1HG2 THR 70 -2.498 13.599 -2.677 448 HG22 THR 70 2HG2 THR 70 -1.004 14.150 -1.919 449 HG23 THR 70 3HG2 THR 70 -2.139 13.156 -1.009 450 HA PRO 71 HA PRO 71 -5.706 9.982 -1.662 451 HB2 PRO 71 1HB PRO 71 -6.740 11.322 0.461 452 HB3 PRO 71 2HB PRO 71 -5.981 9.732 0.605 453 HG2 PRO 71 1HG PRO 71 -4.833 12.437 1.176 454 HG3 PRO 71 2HG PRO 71 -4.684 10.938 2.112 455 HD2 PRO 71 1HD PRO 71 -2.728 11.828 0.464 456 HD3 PRO 71 2HD PRO 71 -3.029 10.100 0.744 457 H MET 72 H MET 72 -7.541 11.110 -2.392 458 HA MET 72 HA MET 72 -7.132 13.987 -2.878 459 HB2 MET 72 1HB MET 72 -8.375 11.954 -4.738 460 HB3 MET 72 2HB MET 72 -8.331 13.688 -5.028 461 HG2 MET 72 1HG MET 72 -5.742 13.325 -4.697 462 HG3 MET 72 2HG MET 72 -6.153 11.680 -5.175 463 HE1 MET 72 1HE MET 72 -8.598 12.164 -6.827 464 HE2 MET 72 2HE MET 72 -8.248 12.728 -8.462 465 HE3 MET 72 3HE MET 72 -7.480 11.261 -7.851 466 H ALA 73 H ALA 73 -9.232 11.462 -1.848 467 HA ALA 73 HA ALA 73 -11.209 13.443 -1.032 468 HB1 ALA 73 1HB ALA 73 -12.971 12.667 -2.220 469 HB2 ALA 73 2HB ALA 73 -11.699 12.187 -3.345 470 HB3 ALA 73 3HB ALA 73 -12.378 11.006 -2.225 471 HA PRO 74 HA PRO 74 -11.300 10.999 2.622 472 HB2 PRO 74 1HB PRO 74 -13.749 11.677 3.576 473 HB3 PRO 74 2HB PRO 74 -12.366 12.776 3.615 474 HG2 PRO 74 1HG PRO 74 -14.642 12.664 1.674 475 HG3 PRO 74 2HG PRO 74 -13.885 14.078 2.429 476 HD2 PRO 74 1HD PRO 74 -13.320 13.301 -0.102 477 HD3 PRO 74 2HD PRO 74 -12.120 14.081 0.948 478 H GLY 75 H GLY 75 -11.677 8.897 2.942 479 HA2 GLY 75 1HA GLY 75 -14.094 7.581 2.877 480 HA3 GLY 75 2HA GLY 75 -13.455 7.437 1.246 481 H ASN 76 H ASN 76 -13.542 5.112 1.794 482 HA ASN 76 HA ASN 76 -11.214 4.277 3.393 483 HB2 ASN 76 1HB ASN 76 -13.504 2.482 2.608 484 HB3 ASN 76 2HB ASN 76 -12.320 2.246 3.890 485 HD21 ASN 76 1HD2 ASN 76 -15.208 3.913 2.921 486 HD22 ASN 76 2HD2 ASN 76 -15.658 4.468 4.494 487 H TYR 77 H TYR 77 -9.517 3.667 2.241 488 HA TYR 77 HA TYR 77 -9.909 2.741 -0.511 489 HB2 TYR 77 1HB TYR 77 -7.467 3.737 0.961 490 HB3 TYR 77 2HB TYR 77 -7.410 3.071 -0.667 491 HD1 TYR 77 1HD TYR 77 -8.951 5.784 1.357 492 HD2 TYR 77 2HD TYR 77 -7.833 4.436 -2.521 493 HE1 TYR 77 1HE TYR 77 -9.484 8.002 0.439 494 HE2 TYR 77 2HE TYR 77 -8.362 6.651 -3.449 495 HH TYR 77 HH TYR 77 -10.074 9.018 -1.695 496 H LEU 78 H LEU 78 -9.417 0.725 -1.168 497 HA LEU 78 HA LEU 78 -8.765 -1.229 0.887 498 HB2 LEU 78 1HB LEU 78 -10.593 -1.390 -0.972 499 HB3 LEU 78 2HB LEU 78 -9.247 -1.917 -1.979 500 HG LEU 78 HG LEU 78 -10.446 -3.835 -1.145 501 HD11 LEU 78 1HD1 LEU 78 -7.780 -3.448 0.206 502 HD12 LEU 78 2HD1 LEU 78 -8.069 -4.115 -1.400 503 HD13 LEU 78 3HD1 LEU 78 -8.605 -4.996 0.030 504 HD21 LEU 78 1HD2 LEU 78 -10.777 -4.300 1.160 505 HD22 LEU 78 2HD2 LEU 78 -11.342 -2.653 0.884 506 HD23 LEU 78 3HD2 LEU 78 -9.776 -2.932 1.648 507 H ILE 79 H ILE 79 -6.659 -1.448 1.304 508 HA ILE 79 HA ILE 79 -4.718 -1.265 -0.872 509 HB ILE 79 HB ILE 79 -4.328 -1.444 2.117 510 HG12 ILE 79 1HG1 ILE 79 -3.683 0.847 0.262 511 HG13 ILE 79 2HG1 ILE 79 -5.231 0.703 1.086 512 HG21 ILE 79 1HG2 ILE 79 -2.435 -1.663 -0.145 513 HG22 ILE 79 2HG2 ILE 79 -1.934 -0.667 1.221 514 HG23 ILE 79 3HG2 ILE 79 -2.357 -2.360 1.473 515 HD11 ILE 79 1HD1 ILE 79 -2.516 1.076 2.308 516 HD12 ILE 79 2HD1 ILE 79 -3.903 2.163 2.374 517 HD13 ILE 79 3HD1 ILE 79 -3.942 0.629 3.243 518 H ALA 80 H ALA 80 -4.627 -3.137 -1.980 519 HA ALA 80 HA ALA 80 -4.627 -5.678 -0.541 520 HB1 ALA 80 1HB ALA 80 -5.789 -6.314 -2.323 521 HB2 ALA 80 2HB ALA 80 -5.412 -4.815 -3.173 522 HB3 ALA 80 3HB ALA 80 -4.304 -6.185 -3.267 523 H ILE 81 H ILE 81 -2.822 -6.737 -0.060 524 HA ILE 81 HA ILE 81 -0.387 -6.161 -1.612 525 HB ILE 81 HB ILE 81 -0.446 -6.610 1.373 526 HG12 ILE 81 1HG1 ILE 81 0.173 -4.021 -0.047 527 HG13 ILE 81 2HG1 ILE 81 -1.442 -4.413 0.535 528 HG21 ILE 81 1HG2 ILE 81 1.926 -5.363 0.403 529 HG22 ILE 81 2HG2 ILE 81 1.744 -6.916 1.216 530 HG23 ILE 81 3HG2 ILE 81 1.620 -6.821 -0.540 531 HD11 ILE 81 1HD1 ILE 81 -0.510 -4.644 2.813 532 HD12 ILE 81 2HD1 ILE 81 1.051 -4.110 2.188 533 HD13 ILE 81 3HD1 ILE 81 -0.337 -3.024 2.139 534 H LYS 82 H LYS 82 0.610 -7.907 -2.379 535 HA LYS 82 HA LYS 82 0.068 -10.510 -1.114 536 HB2 LYS 82 1HB LYS 82 0.346 -10.051 -4.088 537 HB3 LYS 82 2HB LYS 82 -0.052 -11.564 -3.284 538 HG2 LYS 82 1HG LYS 82 -2.132 -10.432 -2.429 539 HG3 LYS 82 2HG LYS 82 -1.753 -9.098 -3.521 540 HD2 LYS 82 1HD LYS 82 -1.762 -10.701 -5.410 541 HD3 LYS 82 2HD LYS 82 -2.256 -11.973 -4.290 542 HE2 LYS 82 1HE LYS 82 -3.843 -9.448 -4.455 543 HE3 LYS 82 2HE LYS 82 -4.041 -10.682 -5.699 544 HZ1 LYS 82 1HZ LYS 82 -5.488 -11.601 -4.302 545 HZ2 LYS 82 2HZ LYS 82 -4.982 -10.657 -2.993 546 HZ3 LYS 82 3HZ LYS 82 -4.159 -12.085 -3.375 547 H TYR 83 H TYR 83 1.705 -12.185 -1.725 548 HA TYR 83 HA TYR 83 4.267 -11.306 -2.669 549 HB2 TYR 83 1HB TYR 83 4.107 -10.515 -0.235 550 HB3 TYR 83 2HB TYR 83 4.184 -12.218 0.202 551 HD1 TYR 83 2HD TYR 83 6.029 -9.526 -1.569 552 HD2 TYR 83 1HD TYR 83 6.249 -13.334 0.316 553 HE1 TYR 83 2HE TYR 83 8.483 -9.438 -1.692 554 HE2 TYR 83 1HE TYR 83 8.705 -13.257 0.199 555 HH TYR 83 HH TYR 83 10.478 -12.143 -0.552 556 H GLY 84 H GLY 84 5.334 -12.977 -3.543 557 HA2 GLY 84 1HA GLY 84 5.568 -15.125 -4.370 558 HA3 GLY 84 2HA GLY 84 5.730 -15.506 -2.662 559 H GLY 85 H GLY 85 2.815 -14.345 -4.282 560 HA2 GLY 85 1HA GLY 85 1.531 -16.719 -4.834 561 HA3 GLY 85 2HA GLY 85 1.244 -16.430 -3.124 562 HA PRO 86 HA PRO 86 -1.504 -13.797 -6.094 563 HB2 PRO 86 1HB PRO 86 -3.542 -15.508 -6.631 564 HB3 PRO 86 2HB PRO 86 -2.124 -15.348 -7.673 565 HG2 PRO 86 1HG PRO 86 -2.724 -17.417 -5.594 566 HG3 PRO 86 2HG PRO 86 -2.035 -17.626 -7.215 567 HD2 PRO 86 1HD PRO 86 -0.512 -17.613 -4.977 568 HD3 PRO 86 2HD PRO 86 0.077 -17.003 -6.536 569 H GLN 87 H GLN 87 -1.795 -15.752 -3.321 570 HA GLN 87 HA GLN 87 -4.402 -14.782 -2.533 571 HB2 GLN 87 1HB GLN 87 -4.027 -16.057 -0.480 572 HB3 GLN 87 2HB GLN 87 -3.696 -17.039 -1.900 573 HG2 GLN 87 1HG GLN 87 -1.446 -17.115 -1.499 574 HG3 GLN 87 2HG GLN 87 -1.443 -15.597 -0.603 575 HE21 GLN 87 1HE2 GLN 87 -0.291 -18.162 0.121 576 HE22 GLN 87 2HE2 GLN 87 -1.020 -18.616 1.620 577 H HIS 88 H HIS 88 -4.641 -13.786 -0.315 578 HA HIS 88 HA HIS 88 -2.967 -11.435 -0.200 579 HB2 HIS 88 1HB HIS 88 -5.393 -12.306 1.373 580 HB3 HIS 88 2HB HIS 88 -4.534 -10.801 1.686 581 HD1 HIS 88 1HD HIS 88 -5.090 -8.837 0.223 582 HD2 HIS 88 2HD HIS 88 -6.663 -12.402 -1.218 583 HE1 HIS 88 1HE HIS 88 -6.604 -8.184 -1.675 584 HE2 HIS 88 2HE HIS 88 -7.610 -10.350 -2.476 585 H ILE 89 H ILE 89 -1.373 -11.024 1.207 586 HA ILE 89 HA ILE 89 -0.232 -13.087 2.744 587 HB ILE 89 HB ILE 89 1.270 -11.376 3.648 588 HG12 ILE 89 1HG1 ILE 89 -0.139 -9.277 2.040 589 HG13 ILE 89 2HG1 ILE 89 -0.710 -9.652 3.662 590 HG21 ILE 89 1HG2 ILE 89 2.435 -11.151 1.716 591 HG22 ILE 89 2HG2 ILE 89 1.208 -12.276 1.136 592 HG23 ILE 89 3HG2 ILE 89 1.042 -10.550 0.817 593 HD11 ILE 89 1HD1 ILE 89 1.766 -8.304 2.783 594 HD12 ILE 89 2HD1 ILE 89 0.732 -7.993 4.178 595 HD13 ILE 89 3HD1 ILE 89 1.872 -9.338 4.207 596 H VAL 90 H VAL 90 0.123 -13.124 5.061 597 HA VAL 90 HA VAL 90 -2.160 -13.162 6.584 598 HB VAL 90 HB VAL 90 -0.237 -14.279 7.417 599 HG11 VAL 90 1HG1 VAL 90 1.280 -11.842 8.118 600 HG12 VAL 90 2HG1 VAL 90 1.853 -13.428 7.598 601 HG13 VAL 90 3HG1 VAL 90 1.237 -12.279 6.410 602 HG21 VAL 90 1HG2 VAL 90 -0.630 -13.892 9.595 603 HG22 VAL 90 2HG2 VAL 90 -0.214 -12.183 9.472 604 HG23 VAL 90 3HG2 VAL 90 -1.820 -12.736 8.999 605 H GLY 91 H GLY 91 -3.528 -11.511 6.856 606 HA2 GLY 91 1HA GLY 91 -3.872 -9.583 8.375 607 HA3 GLY 91 2HA GLY 91 -2.387 -8.921 7.709 608 H SER 92 H SER 92 -2.892 -9.568 4.983 609 HA SER 92 HA SER 92 -4.492 -7.316 4.274 610 HB2 SER 92 1HB SER 92 -2.959 -9.399 2.768 611 HB3 SER 92 2HB SER 92 -4.128 -8.406 1.897 612 HG SER 92 HG SER 92 -1.686 -7.755 2.463 613 HA PRO 93 HA PRO 93 -5.402 -6.891 2.034 614 HB2 PRO 93 1HB PRO 93 -7.739 -5.524 1.833 615 HB3 PRO 93 2HB PRO 93 -7.286 -6.821 0.721 616 HG2 PRO 93 1HG PRO 93 -9.105 -6.912 3.097 617 HG3 PRO 93 2HG PRO 93 -9.319 -7.642 1.495 618 HD2 PRO 93 1HD PRO 93 -8.483 -9.062 3.644 619 HD3 PRO 93 2HD PRO 93 -7.954 -9.432 1.990 620 H PHE 94 H PHE 94 -5.715 -4.452 2.472 621 HA PHE 94 HA PHE 94 -5.981 -4.010 5.373 622 HB2 PHE 94 1HB PHE 94 -3.883 -3.005 3.461 623 HB3 PHE 94 2HB PHE 94 -4.210 -2.182 4.983 624 HD1 PHE 94 2HD PHE 94 -3.860 -3.395 7.130 625 HD2 PHE 94 1HD PHE 94 -2.614 -4.988 3.384 626 HE1 PHE 94 2HE PHE 94 -2.362 -4.960 8.297 627 HE2 PHE 94 1HE PHE 94 -1.115 -6.556 4.545 628 HZ PHE 94 HZ PHE 94 -0.986 -6.542 7.005 629 H LYS 95 H LYS 95 -7.663 -2.749 5.772 630 HA LYS 95 HA LYS 95 -8.662 -0.933 3.734 631 HB2 LYS 95 1HB LYS 95 -10.131 -2.457 5.154 632 HB3 LYS 95 2HB LYS 95 -9.801 -1.366 6.493 633 HG2 LYS 95 1HG LYS 95 -10.898 0.434 5.418 634 HG3 LYS 95 2HG LYS 95 -10.980 -0.442 3.888 635 HD2 LYS 95 1HD LYS 95 -12.296 -1.534 6.348 636 HD3 LYS 95 2HD LYS 95 -13.097 -0.302 5.371 637 HE2 LYS 95 1HE LYS 95 -11.983 -2.775 4.102 638 HE3 LYS 95 2HE LYS 95 -13.561 -2.804 4.886 639 HZ1 LYS 95 1HZ LYS 95 -13.624 -0.576 3.306 640 HZ2 LYS 95 2HZ LYS 95 -14.358 -2.061 2.966 641 HZ3 LYS 95 3HZ LYS 95 -12.820 -1.718 2.352 642 H ALA 96 H ALA 96 -8.039 1.113 3.634 643 HA ALA 96 HA ALA 96 -6.960 2.384 6.059 644 HB1 ALA 96 1HB ALA 96 -6.243 2.528 3.203 645 HB2 ALA 96 2HB ALA 96 -6.174 4.047 4.098 646 HB3 ALA 96 3HB ALA 96 -5.228 2.660 4.639 647 H LYS 97 H LYS 97 -7.980 4.073 6.933 648 HA LYS 97 HA LYS 97 -10.256 5.217 5.459 649 HB2 LYS 97 1HB LYS 97 -10.732 4.060 7.629 650 HB3 LYS 97 2HB LYS 97 -9.755 5.277 8.439 651 HG2 LYS 97 1HG LYS 97 -11.374 6.953 7.276 652 HG3 LYS 97 2HG LYS 97 -12.430 5.545 7.151 653 HD2 LYS 97 1HD LYS 97 -11.154 6.270 9.763 654 HD3 LYS 97 2HD LYS 97 -12.625 7.084 9.224 655 HE2 LYS 97 1HE LYS 97 -13.841 5.050 9.182 656 HE3 LYS 97 2HE LYS 97 -12.374 4.089 9.361 657 HZ1 LYS 97 1HZ LYS 97 -12.790 4.102 11.526 658 HZ2 LYS 97 2HZ LYS 97 -14.015 5.259 11.371 659 HZ3 LYS 97 3HZ LYS 97 -12.405 5.750 11.542 660 H VAL 98 H VAL 98 -9.897 7.149 4.607 661 HA VAL 98 HA VAL 98 -7.927 8.923 5.878 662 HB VAL 98 HB VAL 98 -9.011 8.909 3.060 663 HG11 VAL 98 1HG1 VAL 98 -8.533 11.084 3.009 664 HG12 VAL 98 2HG1 VAL 98 -7.772 11.027 4.600 665 HG13 VAL 98 3HG1 VAL 98 -6.837 10.626 3.159 666 HG21 VAL 98 1HG2 VAL 98 -7.428 7.244 3.077 667 HG22 VAL 98 2HG2 VAL 98 -6.428 8.644 2.689 668 HG23 VAL 98 3HG2 VAL 98 -6.468 8.019 4.338 669 H THR 99 H THR 99 -8.520 10.830 6.719 670 HA THR 99 HA THR 99 -11.333 11.644 6.397 671 HB THR 99 HB THR 99 -10.622 10.994 8.714 672 HG1 THR 99 1HG THR 99 -12.270 12.305 8.991 673 HG21 THR 99 1HG2 THR 99 -9.005 12.110 9.892 674 HG22 THR 99 2HG2 THR 99 -9.195 13.595 8.960 675 HG23 THR 99 3HG2 THR 99 -8.321 12.227 8.272 676 H GLY 100 H GLY 100 -11.702 14.033 6.686 677 HA2 GLY 100 1HA GLY 100 -10.824 16.272 6.524 678 HA3 GLY 100 2HA GLY 100 -9.451 15.621 5.641 679 HA PRO 101 HA PRO 101 -12.967 17.180 2.813 680 HB2 PRO 101 1HB PRO 101 -11.904 19.575 2.104 681 HB3 PRO 101 2HB PRO 101 -12.994 19.378 3.482 682 HG2 PRO 101 1HG PRO 101 -10.007 19.563 3.442 683 HG3 PRO 101 2HG PRO 101 -11.160 20.330 4.549 684 HD2 PRO 101 1HD PRO 101 -9.771 18.101 5.208 685 HD3 PRO 101 2HD PRO 101 -11.409 18.420 5.814 686 H ARG 102 H ARG 102 -12.719 16.205 0.912 687 HA ARG 102 HA ARG 102 -10.544 15.181 -0.262 688 HB2 ARG 102 1HB ARG 102 -11.660 15.379 -2.439 689 HB3 ARG 102 2HB ARG 102 -12.788 14.901 -1.179 690 HG2 ARG 102 1HG ARG 102 -12.470 17.719 -2.185 691 HG3 ARG 102 2HG ARG 102 -13.689 16.581 -2.763 692 HD2 ARG 102 1HD ARG 102 -14.355 16.358 -0.292 693 HD3 ARG 102 2HD ARG 102 -13.414 17.830 -0.050 694 HE ARG 102 HE ARG 102 -15.236 18.196 -2.171 695 HH11 ARG 102 1HH1 ARG 102 -15.129 17.894 1.295 696 HH12 ARG 102 2HH1 ARG 102 -16.556 18.842 1.553 697 HH21 ARG 102 1HH2 ARG 102 -17.116 19.446 -1.846 698 HH22 ARG 102 2HH2 ARG 102 -17.686 19.724 -0.235 699 H LEU 103 H LEU 103 -8.717 15.838 -1.213 700 HA LEU 103 HA LEU 103 -8.505 18.652 -2.047 701 HB2 LEU 103 1HB LEU 103 -6.696 17.058 -0.283 702 HB3 LEU 103 2HB LEU 103 -6.031 18.346 -1.285 703 HG LEU 103 HG LEU 103 -8.329 18.944 0.525 704 HD11 LEU 103 1HD1 LEU 103 -7.110 18.113 2.237 705 HD12 LEU 103 2HD1 LEU 103 -6.276 19.659 2.085 706 HD13 LEU 103 3HD1 LEU 103 -5.589 18.212 1.350 707 HD21 LEU 103 1HD2 LEU 103 -6.058 20.438 -0.732 708 HD22 LEU 103 2HD2 LEU 103 -6.912 21.095 0.665 709 HD23 LEU 103 3HD2 LEU 103 -7.790 20.756 -0.828 710 H SER 104 H SER 104 -6.392 18.950 -3.367 711 HA SER 104 HA SER 104 -5.625 16.630 -4.925 712 HB2 SER 104 1HB SER 104 -6.204 17.801 -7.090 713 HB3 SER 104 2HB SER 104 -7.588 17.231 -6.158 714 HG SER 104 HG SER 104 -6.571 19.883 -6.154 715 H GLY 105 H GLY 105 -4.094 17.417 -6.781 716 HA2 GLY 105 1HA GLY 105 -2.733 19.712 -6.988 717 HA3 GLY 105 2HA GLY 105 -2.093 19.075 -5.480 718 H SER 106 H SER 106 -0.962 19.534 -8.269 719 HA SER 106 HA SER 106 0.318 16.898 -8.483 720 HB2 SER 106 1HB SER 106 -0.858 18.542 -10.721 721 HB3 SER 106 2HB SER 106 0.381 17.322 -11.012 722 HG SER 106 HG SER 106 -1.006 15.763 -10.189 723 H GLY 107 H GLY 107 2.402 16.989 -9.685 724 HA2 GLY 107 1HA GLY 107 4.055 19.030 -8.619 725 HA3 GLY 107 2HA GLY 107 4.545 17.811 -9.787 726 HA PRO 108 HA PRO 108 4.579 20.691 -13.090 727 HB2 PRO 108 1HB PRO 108 3.099 19.563 -15.066 728 HB3 PRO 108 2HB PRO 108 4.688 18.953 -14.589 729 HG2 PRO 108 1HG PRO 108 1.970 17.955 -13.829 730 HG3 PRO 108 2HG PRO 108 3.411 17.032 -14.292 731 HD2 PRO 108 1HD PRO 108 2.651 17.347 -11.713 732 HD3 PRO 108 2HD PRO 108 4.353 17.210 -12.196 733 H SER 109 H SER 109 3.556 22.550 -12.478 734 HA SER 109 HA SER 109 0.936 23.016 -11.890 735 HB2 SER 109 1HB SER 109 2.977 24.772 -13.242 736 HB3 SER 109 2HB SER 109 1.360 25.366 -12.864 737 HG SER 109 HG SER 109 2.819 24.088 -10.848 738 H SER 110 H SER 110 -0.868 22.585 -12.954 739 HA SER 110 HA SER 110 -0.828 22.545 -15.886 740 HB2 SER 110 1HB SER 110 -3.158 21.444 -15.466 741 HB3 SER 110 2HB SER 110 -1.697 20.504 -15.167 742 HG SER 110 HG SER 110 -3.483 21.657 -13.335 743 H GLY 111 H GLY 111 -0.815 24.946 -15.809 744 HA2 GLY 111 1HA GLY 111 -1.883 26.958 -16.086 745 HA3 GLY 111 2HA GLY 111 -3.306 26.005 -16.483 Start of MODEL 9 1 H1 GLY 1 H GLY 1 25.380 -27.266 -6.259 2 HA2 GLY 1 1HA GLY 1 24.730 -29.661 -6.595 3 HA3 GLY 1 2HA GLY 1 25.662 -29.411 -5.126 4 H SER 2 H SER 2 22.291 -28.533 -5.752 5 HA SER 2 HA SER 2 21.506 -29.939 -3.335 6 HB2 SER 2 1HB SER 2 19.998 -28.120 -5.221 7 HB3 SER 2 2HB SER 2 19.257 -28.899 -3.823 8 HG SER 2 HG SER 2 20.505 -27.707 -2.482 9 H SER 3 H SER 3 19.576 -31.324 -3.328 10 HA SER 3 HA SER 3 19.207 -32.789 -5.853 11 HB2 SER 3 1HB SER 3 19.654 -33.975 -3.106 12 HB3 SER 3 2HB SER 3 19.104 -34.901 -4.503 13 HG SER 3 HG SER 3 21.546 -34.535 -3.869 14 H GLY 4 H GLY 4 17.260 -31.536 -6.063 15 HA2 GLY 4 1HA GLY 4 14.991 -31.240 -5.890 16 HA3 GLY 4 2HA GLY 4 14.951 -32.867 -5.226 17 H SER 5 H SER 5 16.079 -29.661 -4.136 18 HA SER 5 HA SER 5 14.198 -29.596 -1.981 19 HB2 SER 5 1HB SER 5 15.747 -29.746 -0.129 20 HB3 SER 5 2HB SER 5 15.909 -31.202 -1.110 21 HG SER 5 HG SER 5 17.825 -29.607 -0.401 22 H SER 6 H SER 6 13.664 -27.530 -1.860 23 HA SER 6 HA SER 6 15.685 -25.477 -1.659 24 HB2 SER 6 1HB SER 6 13.891 -25.710 -4.064 25 HB3 SER 6 2HB SER 6 14.506 -24.144 -3.537 26 HG SER 6 HG SER 6 15.967 -24.934 -4.988 27 H GLY 7 H GLY 7 14.603 -23.265 -1.423 28 HA2 GLY 7 1HA GLY 7 11.848 -23.261 -0.577 29 HA3 GLY 7 2HA GLY 7 12.985 -23.160 0.760 30 H ALA 8 H ALA 8 11.116 -21.367 -1.248 31 HA ALA 8 HA ALA 8 12.311 -18.911 -0.421 32 HB1 ALA 8 1HB ALA 8 12.268 -18.531 -3.213 33 HB2 ALA 8 2HB ALA 8 13.660 -18.495 -2.131 34 HB3 ALA 8 3HB ALA 8 13.187 -20.005 -2.909 35 H GLY 9 H GLY 9 10.813 -17.322 -0.363 36 HA2 GLY 9 1HA GLY 9 8.919 -16.120 -1.080 37 HA3 GLY 9 2HA GLY 9 8.469 -17.480 -2.098 38 H ASP 10 H ASP 10 7.498 -15.773 0.479 39 HA ASP 10 HA ASP 10 5.566 -17.685 1.276 40 HB2 ASP 10 1HB ASP 10 7.991 -17.334 2.993 41 HB3 ASP 10 2HB ASP 10 6.428 -17.601 3.761 42 HA PRO 11 HA PRO 11 3.904 -13.611 2.055 43 HB2 PRO 11 1HB PRO 11 1.350 -14.448 2.439 44 HB3 PRO 11 2HB PRO 11 2.076 -14.283 0.836 45 HG2 PRO 11 1HG PRO 11 1.703 -16.741 2.503 46 HG3 PRO 11 2HG PRO 11 1.438 -16.518 0.764 47 HD2 PRO 11 1HD PRO 11 3.666 -17.692 1.759 48 HD3 PRO 11 2HD PRO 11 3.679 -16.730 0.267 49 H GLY 12 H GLY 12 3.187 -16.451 4.067 50 HA2 GLY 12 1HA GLY 12 2.110 -15.241 6.297 51 HA3 GLY 12 2HA GLY 12 3.111 -16.685 6.353 52 H LEU 13 H LEU 13 5.480 -15.358 5.313 53 HA LEU 13 HA LEU 13 6.333 -14.110 7.804 54 HB2 LEU 13 1HB LEU 13 8.037 -14.751 5.412 55 HB3 LEU 13 2HB LEU 13 8.559 -14.475 7.072 56 HG LEU 13 HG LEU 13 7.071 -16.879 6.022 57 HD11 LEU 13 1HD1 LEU 13 9.862 -16.539 7.107 58 HD12 LEU 13 2HD1 LEU 13 9.421 -16.865 5.431 59 HD13 LEU 13 3HD1 LEU 13 9.111 -18.075 6.675 60 HD21 LEU 13 1HD2 LEU 13 8.123 -16.578 8.810 61 HD22 LEU 13 2HD2 LEU 13 6.936 -17.723 8.182 62 HD23 LEU 13 3HD2 LEU 13 6.502 -16.025 8.389 63 H VAL 14 H VAL 14 4.635 -12.775 5.695 64 HA VAL 14 HA VAL 14 6.342 -10.398 5.347 65 HB VAL 14 HB VAL 14 4.293 -11.470 3.403 66 HG11 VAL 14 1HG1 VAL 14 3.944 -9.251 3.072 67 HG12 VAL 14 2HG1 VAL 14 5.523 -8.793 3.713 68 HG13 VAL 14 3HG1 VAL 14 5.386 -9.433 2.075 69 HG21 VAL 14 1HG2 VAL 14 7.252 -11.455 3.523 70 HG22 VAL 14 2HG2 VAL 14 6.151 -12.643 2.825 71 HG23 VAL 14 3HG2 VAL 14 6.510 -11.153 1.952 72 H SER 15 H SER 15 5.560 -8.599 6.229 73 HA SER 15 HA SER 15 2.673 -8.272 6.553 74 HB2 SER 15 1HB SER 15 4.661 -8.035 8.825 75 HB3 SER 15 2HB SER 15 2.969 -7.546 8.912 76 HG SER 15 HG SER 15 3.911 -10.169 8.366 77 H ALA 16 H ALA 16 2.009 -6.089 6.877 78 HA ALA 16 HA ALA 16 4.078 -4.093 6.226 79 HB1 ALA 16 1HB ALA 16 2.184 -2.886 5.004 80 HB2 ALA 16 2HB ALA 16 2.880 -4.309 4.228 81 HB3 ALA 16 3HB ALA 16 1.331 -4.429 5.064 82 H TYR 17 H TYR 17 4.071 -2.238 7.384 83 HA TYR 17 HA TYR 17 1.796 -1.706 9.161 84 HB2 TYR 17 1HB TYR 17 3.422 -1.110 10.972 85 HB3 TYR 17 2HB TYR 17 3.388 -2.824 10.572 86 HD1 TYR 17 1HD TYR 17 5.276 0.312 9.885 87 HD2 TYR 17 2HD TYR 17 5.366 -3.939 10.040 88 HE1 TYR 17 1HE TYR 17 7.708 0.356 9.520 89 HE2 TYR 17 2HE TYR 17 7.799 -3.907 9.677 90 HH TYR 17 HH TYR 17 9.489 -2.372 8.676 91 H GLY 18 H GLY 18 1.465 0.466 9.693 92 HA2 GLY 18 1HA GLY 18 2.889 2.687 9.515 93 HA3 GLY 18 2HA GLY 18 2.690 2.329 7.805 94 HA PRO 19 HA PRO 19 -0.987 4.720 9.655 95 HB2 PRO 19 1HB PRO 19 -0.442 7.158 8.591 96 HB3 PRO 19 2HB PRO 19 0.136 6.654 10.184 97 HG2 PRO 19 1HG PRO 19 1.586 6.684 7.565 98 HG3 PRO 19 2HG PRO 19 2.159 7.183 9.168 99 HD2 PRO 19 1HD PRO 19 2.794 4.788 8.074 100 HD3 PRO 19 2HD PRO 19 2.599 5.017 9.823 101 H GLY 20 H GLY 20 0.608 4.490 6.560 102 HA2 GLY 20 1HA GLY 20 -1.483 5.505 4.943 103 HA3 GLY 20 2HA GLY 20 -0.191 4.442 4.407 104 H LEU 21 H LEU 21 -0.879 2.341 6.325 105 HA LEU 21 HA LEU 21 -2.837 0.996 4.721 106 HB2 LEU 21 1HB LEU 21 -1.609 0.131 7.333 107 HB3 LEU 21 2HB LEU 21 -2.460 -0.896 6.181 108 HG LEU 21 HG LEU 21 0.000 0.546 5.299 109 HD11 LEU 21 1HD1 LEU 21 0.312 -0.691 7.566 110 HD12 LEU 21 2HD1 LEU 21 1.474 -0.937 6.263 111 HD13 LEU 21 3HD1 LEU 21 0.227 -2.145 6.571 112 HD21 LEU 21 1HD2 LEU 21 -1.739 -1.104 4.038 113 HD22 LEU 21 2HD2 LEU 21 -0.527 -2.258 4.595 114 HD23 LEU 21 3HD2 LEU 21 -0.049 -0.899 3.577 115 H GLU 22 H GLU 22 -2.729 2.212 8.054 116 HA GLU 22 HA GLU 22 -5.446 1.445 8.590 117 HB2 GLU 22 1HB GLU 22 -3.285 2.856 10.077 118 HB3 GLU 22 2HB GLU 22 -4.942 3.112 10.603 119 HG2 GLU 22 1HG GLU 22 -5.015 0.478 10.486 120 HG3 GLU 22 2HG GLU 22 -3.275 0.661 10.701 121 H GLY 23 H GLY 23 -3.856 4.184 7.235 122 HA2 GLY 23 1HA GLY 23 -5.282 5.675 5.909 123 HA3 GLY 23 2HA GLY 23 -6.431 5.633 7.238 124 H GLY 24 H GLY 24 -5.781 8.060 6.379 125 HA2 GLY 24 1HA GLY 24 -4.409 9.179 8.668 126 HA3 GLY 24 2HA GLY 24 -3.582 9.428 7.138 127 H THR 25 H THR 25 -4.077 11.205 6.040 128 HA THR 25 HA THR 25 -6.734 12.402 6.387 129 HB THR 25 HB THR 25 -4.101 13.843 6.707 130 HG1 THR 25 1HG THR 25 -4.878 14.268 8.733 131 HG21 THR 25 1HG2 THR 25 -5.434 15.918 6.848 132 HG22 THR 25 2HG2 THR 25 -6.866 15.010 6.362 133 HG23 THR 25 3HG2 THR 25 -5.510 15.181 5.248 134 H THR 26 H THR 26 -7.335 13.886 4.687 135 HA THR 26 HA THR 26 -6.597 12.952 2.115 136 HB THR 26 HB THR 26 -8.007 14.829 1.264 137 HG1 THR 26 1HG THR 26 -9.156 16.021 2.929 138 HG21 THR 26 1HG2 THR 26 -9.182 13.133 3.469 139 HG22 THR 26 2HG2 THR 26 -9.054 12.708 1.763 140 HG23 THR 26 3HG2 THR 26 -10.125 14.014 2.268 141 H GLY 27 H GLY 27 -5.631 14.145 0.384 142 HA2 GLY 27 1HA GLY 27 -3.872 15.332 -0.500 143 HA3 GLY 27 2HA GLY 27 -4.473 16.647 0.499 144 H VAL 28 H VAL 28 -3.340 13.686 1.934 145 HA VAL 28 HA VAL 28 -0.867 15.058 2.765 146 HB VAL 28 HB VAL 28 -2.705 13.373 4.465 147 HG11 VAL 28 1HG1 VAL 28 -0.750 14.251 6.148 148 HG12 VAL 28 2HG1 VAL 28 -0.822 12.636 5.439 149 HG13 VAL 28 3HG1 VAL 28 0.171 13.886 4.689 150 HG21 VAL 28 1HG2 VAL 28 -1.696 16.038 5.285 151 HG22 VAL 28 2HG2 VAL 28 -2.913 15.986 4.010 152 HG23 VAL 28 3HG2 VAL 28 -3.258 15.275 5.586 153 H SER 29 H SER 29 0.745 14.029 1.777 154 HA SER 29 HA SER 29 0.805 11.576 0.609 155 HB2 SER 29 1HB SER 29 3.145 12.759 2.120 156 HB3 SER 29 2HB SER 29 3.220 11.638 0.761 157 HG SER 29 HG SER 29 3.531 13.956 0.293 158 H SER 30 H SER 30 0.536 9.566 1.290 159 HA SER 30 HA SER 30 1.313 8.889 4.049 160 HB2 SER 30 1HB SER 30 -1.152 7.919 2.582 161 HB3 SER 30 2HB SER 30 -0.641 7.390 4.185 162 HG SER 30 HG SER 30 -2.269 9.157 4.019 163 H GLU 31 H GLU 31 2.387 6.998 4.333 164 HA GLU 31 HA GLU 31 2.552 5.101 2.117 165 HB2 GLU 31 1HB GLU 31 5.041 5.016 2.350 166 HB3 GLU 31 2HB GLU 31 4.431 6.519 1.672 167 HG2 GLU 31 1HG GLU 31 5.226 6.126 4.547 168 HG3 GLU 31 2HG GLU 31 6.242 6.853 3.304 169 H PHE 32 H PHE 32 4.103 3.216 2.885 170 HA PHE 32 HA PHE 32 4.024 2.685 5.714 171 HB2 PHE 32 1HB PHE 32 2.683 0.562 5.401 172 HB3 PHE 32 2HB PHE 32 1.766 2.060 5.276 173 HD1 PHE 32 2HD PHE 32 0.996 2.861 3.083 174 HD2 PHE 32 1HD PHE 32 2.930 -0.902 3.543 175 HE1 PHE 32 2HE PHE 32 0.162 2.166 0.875 176 HE2 PHE 32 1HE PHE 32 2.100 -1.603 1.335 177 HZ PHE 32 HZ PHE 32 0.713 -0.068 -0.001 178 H ILE 33 H ILE 33 5.163 0.753 6.300 179 HA ILE 33 HA ILE 33 7.095 -0.045 4.242 180 HB ILE 33 HB ILE 33 7.191 -0.099 7.247 181 HG12 ILE 33 1HG1 ILE 33 8.900 1.157 5.093 182 HG13 ILE 33 2HG1 ILE 33 7.852 1.991 6.235 183 HG21 ILE 33 1HG2 ILE 33 9.532 -1.110 6.821 184 HG22 ILE 33 2HG2 ILE 33 8.127 -2.174 6.814 185 HG23 ILE 33 3HG2 ILE 33 8.841 -1.648 5.290 186 HD11 ILE 33 1HD1 ILE 33 10.539 0.804 6.636 187 HD12 ILE 33 2HD1 ILE 33 9.869 2.326 7.224 188 HD13 ILE 33 3HD1 ILE 33 9.414 0.807 7.995 189 H VAL 34 H VAL 34 7.427 -2.149 3.668 190 HA VAL 34 HA VAL 34 5.539 -4.120 4.784 191 HB VAL 34 HB VAL 34 6.740 -4.114 2.012 192 HG11 VAL 34 1HG1 VAL 34 5.801 -6.245 3.420 193 HG12 VAL 34 2HG1 VAL 34 4.346 -5.711 2.575 194 HG13 VAL 34 3HG1 VAL 34 5.798 -6.121 1.661 195 HG21 VAL 34 1HG2 VAL 34 4.477 -2.700 3.098 196 HG22 VAL 34 2HG2 VAL 34 5.179 -2.619 1.482 197 HG23 VAL 34 3HG2 VAL 34 3.964 -3.842 1.855 198 H ASN 35 H ASN 35 6.726 -5.197 6.269 199 HA ASN 35 HA ASN 35 9.485 -5.809 5.957 200 HB2 ASN 35 1HB ASN 35 8.875 -5.730 8.187 201 HB3 ASN 35 2HB ASN 35 7.346 -6.559 7.907 202 HD21 ASN 35 1HD2 ASN 35 10.756 -6.922 8.426 203 HD22 ASN 35 2HD2 ASN 35 10.735 -8.621 8.737 204 H THR 36 H THR 36 9.948 -6.999 4.169 205 HA THR 36 HA THR 36 8.571 -9.584 3.862 206 HB THR 36 HB THR 36 9.483 -9.563 1.527 207 HG1 THR 36 1HG THR 36 10.332 -7.616 0.752 208 HG21 THR 36 1HG2 THR 36 7.659 -8.448 0.728 209 HG22 THR 36 2HG2 THR 36 7.912 -7.056 1.780 210 HG23 THR 36 3HG2 THR 36 7.198 -8.532 2.427 211 H LEU 37 H LEU 37 11.461 -8.164 4.838 212 HA LEU 37 HA LEU 37 13.512 -9.712 3.952 213 HB2 LEU 37 1HB LEU 37 13.041 -8.886 6.813 214 HB3 LEU 37 2HB LEU 37 14.588 -9.379 6.128 215 HG LEU 37 HG LEU 37 13.124 -7.022 5.003 216 HD11 LEU 37 1HD1 LEU 37 13.453 -5.746 6.786 217 HD12 LEU 37 2HD1 LEU 37 15.140 -6.248 6.895 218 HD13 LEU 37 3HD1 LEU 37 13.885 -7.198 7.690 219 HD21 LEU 37 1HD2 LEU 37 15.551 -6.320 4.674 220 HD22 LEU 37 2HD2 LEU 37 14.962 -7.663 3.693 221 HD23 LEU 37 3HD2 LEU 37 15.969 -7.978 5.107 222 H ASN 38 H ASN 38 11.525 -10.509 6.808 223 HA ASN 38 HA ASN 38 12.549 -12.933 7.490 224 HB2 ASN 38 1HB ASN 38 9.744 -11.873 7.529 225 HB3 ASN 38 2HB ASN 38 10.053 -13.538 8.015 226 HD21 ASN 38 1HD2 ASN 38 9.731 -10.471 9.113 227 HD22 ASN 38 2HD2 ASN 38 10.602 -10.598 10.600 228 H ALA 39 H ALA 39 10.211 -12.305 4.903 229 HA ALA 39 HA ALA 39 9.785 -14.984 4.155 230 HB1 ALA 39 1HB ALA 39 8.230 -13.900 2.995 231 HB2 ALA 39 2HB ALA 39 9.092 -12.368 3.150 232 HB3 ALA 39 3HB ALA 39 9.491 -13.475 1.836 233 H GLY 40 H GLY 40 11.938 -12.520 2.726 234 HA2 GLY 40 1HA GLY 40 14.263 -13.464 2.325 235 HA3 GLY 40 2HA GLY 40 13.420 -14.720 1.430 236 H SER 41 H SER 41 12.590 -14.279 -0.604 237 HA SER 41 HA SER 41 12.754 -11.612 -1.702 238 HB2 SER 41 1HB SER 41 14.494 -13.799 -2.865 239 HB3 SER 41 2HB SER 41 14.332 -12.154 -3.477 240 HG SER 41 HG SER 41 15.997 -11.828 -2.220 241 H GLY 42 H GLY 42 11.228 -11.328 -3.212 242 HA2 GLY 42 1HA GLY 42 10.415 -13.337 -5.053 243 HA3 GLY 42 2HA GLY 42 9.261 -13.208 -3.734 244 H ALA 43 H ALA 43 7.574 -12.392 -4.920 245 HA ALA 43 HA ALA 43 8.007 -9.729 -6.112 246 HB1 ALA 43 1HB ALA 43 5.602 -11.079 -7.016 247 HB2 ALA 43 2HB ALA 43 6.902 -10.335 -7.949 248 HB3 ALA 43 3HB ALA 43 7.065 -11.996 -7.379 249 H LEU 44 H LEU 44 6.682 -8.082 -5.517 250 HA LEU 44 HA LEU 44 4.595 -8.704 -3.531 251 HB2 LEU 44 1HB LEU 44 6.388 -7.606 -2.416 252 HB3 LEU 44 2HB LEU 44 6.503 -6.382 -3.679 253 HG LEU 44 HG LEU 44 4.210 -5.602 -2.967 254 HD11 LEU 44 1HD1 LEU 44 4.702 -7.729 -0.953 255 HD12 LEU 44 2HD1 LEU 44 3.200 -7.226 -1.727 256 HD13 LEU 44 3HD1 LEU 44 3.891 -6.253 -0.429 257 HD21 LEU 44 1HD2 LEU 44 6.569 -4.729 -2.235 258 HD22 LEU 44 2HD2 LEU 44 6.085 -5.360 -0.661 259 HD23 LEU 44 3HD2 LEU 44 5.107 -4.125 -1.455 260 H SER 45 H SER 45 2.596 -8.038 -3.982 261 HA SER 45 HA SER 45 2.240 -6.176 -6.235 262 HB2 SER 45 1HB SER 45 1.326 -8.643 -6.250 263 HB3 SER 45 2HB SER 45 0.039 -7.958 -5.258 264 HG SER 45 HG SER 45 0.711 -7.424 -7.928 265 H VAL 46 H VAL 46 1.497 -4.225 -5.765 266 HA VAL 46 HA VAL 46 -0.160 -3.886 -3.351 267 HB VAL 46 HB VAL 46 1.918 -1.959 -4.399 268 HG11 VAL 46 1HG1 VAL 46 0.136 -1.739 -1.975 269 HG12 VAL 46 2HG1 VAL 46 1.372 -0.582 -2.475 270 HG13 VAL 46 3HG1 VAL 46 -0.061 -0.832 -3.474 271 HG21 VAL 46 1HG2 VAL 46 2.163 -2.889 -1.653 272 HG22 VAL 46 2HG2 VAL 46 2.294 -4.194 -2.832 273 HG23 VAL 46 3HG2 VAL 46 3.375 -2.804 -2.931 274 H THR 47 H THR 47 -1.981 -2.695 -3.555 275 HA THR 47 HA THR 47 -2.390 -0.942 -5.818 276 HB THR 47 HB THR 47 -4.479 -2.081 -6.548 277 HG1 THR 47 1HG THR 47 -4.352 -3.418 -4.426 278 HG21 THR 47 1HG2 THR 47 -1.964 -3.739 -6.782 279 HG22 THR 47 2HG2 THR 47 -2.412 -2.381 -7.815 280 HG23 THR 47 3HG2 THR 47 -3.375 -3.858 -7.833 281 H ILE 48 H ILE 48 -4.363 0.301 -5.653 282 HA ILE 48 HA ILE 48 -5.656 0.199 -3.017 283 HB ILE 48 HB ILE 48 -4.603 2.700 -4.341 284 HG12 ILE 48 1HG1 ILE 48 -3.884 1.546 -1.646 285 HG13 ILE 48 2HG1 ILE 48 -2.968 1.200 -3.108 286 HG21 ILE 48 1HG2 ILE 48 -5.463 3.277 -1.750 287 HG22 ILE 48 2HG2 ILE 48 -6.215 3.782 -3.262 288 HG23 ILE 48 3HG2 ILE 48 -6.748 2.303 -2.464 289 HD11 ILE 48 1HD1 ILE 48 -3.437 3.968 -2.034 290 HD12 ILE 48 2HD1 ILE 48 -2.007 2.993 -1.690 291 HD13 ILE 48 3HD1 ILE 48 -2.357 3.493 -3.345 292 H ASP 49 H ASP 49 -7.799 0.797 -2.966 293 HA ASP 49 HA ASP 49 -9.030 1.721 -5.459 294 HB2 ASP 49 1HB ASP 49 -9.110 -0.887 -4.998 295 HB3 ASP 49 2HB ASP 49 -10.434 -0.427 -3.931 296 H GLY 50 H GLY 50 -9.978 3.574 -4.922 297 HA2 GLY 50 1HA GLY 50 -11.736 3.600 -2.569 298 HA3 GLY 50 2HA GLY 50 -10.510 4.851 -2.718 299 HA PRO 51 HA PRO 51 -14.413 6.400 -4.683 300 HB2 PRO 51 1HB PRO 51 -14.315 8.842 -3.500 301 HB3 PRO 51 2HB PRO 51 -15.067 7.435 -2.738 302 HG2 PRO 51 1HG PRO 51 -12.347 8.604 -2.291 303 HG3 PRO 51 2HG PRO 51 -13.516 8.002 -1.101 304 HD2 PRO 51 1HD PRO 51 -11.388 6.542 -1.921 305 HD3 PRO 51 2HD PRO 51 -12.932 5.801 -1.455 306 H SER 52 H SER 52 -11.126 7.445 -4.467 307 HA SER 52 HA SER 52 -11.315 8.635 -7.111 308 HB2 SER 52 1HB SER 52 -10.676 10.178 -4.630 309 HB3 SER 52 2HB SER 52 -9.832 10.588 -6.123 310 HG SER 52 HG SER 52 -12.114 10.573 -7.016 311 H LYS 53 H LYS 53 -9.586 8.143 -8.308 312 HA LYS 53 HA LYS 53 -7.687 6.310 -7.617 313 HB2 LYS 53 1HB LYS 53 -7.539 8.555 -9.626 314 HB3 LYS 53 2HB LYS 53 -6.293 7.321 -9.492 315 HG2 LYS 53 1HG LYS 53 -7.895 5.594 -10.030 316 HG3 LYS 53 2HG LYS 53 -9.200 6.781 -10.065 317 HD2 LYS 53 1HD LYS 53 -7.904 7.959 -11.890 318 HD3 LYS 53 2HD LYS 53 -6.864 6.534 -11.950 319 HE2 LYS 53 1HE LYS 53 -9.823 6.198 -12.135 320 HE3 LYS 53 2HE LYS 53 -8.929 6.754 -13.549 321 HZ1 LYS 53 1HZ LYS 53 -9.245 4.151 -12.699 322 HZ2 LYS 53 2HZ LYS 53 -7.634 4.533 -12.355 323 HZ3 LYS 53 3HZ LYS 53 -8.225 4.702 -13.931 324 H VAL 54 H VAL 54 -5.598 6.321 -6.837 325 HA VAL 54 HA VAL 54 -4.599 8.875 -5.765 326 HB VAL 54 HB VAL 54 -3.830 7.770 -3.746 327 HG11 VAL 54 1HG1 VAL 54 -5.971 7.366 -2.673 328 HG12 VAL 54 2HG1 VAL 54 -6.088 8.741 -3.774 329 HG13 VAL 54 3HG1 VAL 54 -6.744 7.173 -4.246 330 HG21 VAL 54 1HG2 VAL 54 -3.334 5.578 -4.271 331 HG22 VAL 54 2HG2 VAL 54 -4.833 5.395 -3.359 332 HG23 VAL 54 3HG2 VAL 54 -4.859 5.326 -5.121 333 H GLN 55 H GLN 55 -2.709 9.333 -6.661 334 HA GLN 55 HA GLN 55 -1.176 7.496 -8.148 335 HB2 GLN 55 1HB GLN 55 -1.263 10.132 -8.158 336 HB3 GLN 55 2HB GLN 55 0.066 9.967 -7.018 337 HG2 GLN 55 1HG GLN 55 0.722 10.269 -9.417 338 HG3 GLN 55 2HG GLN 55 1.422 8.870 -8.604 339 HE21 GLN 55 1HE2 GLN 55 -1.439 9.741 -10.514 340 HE22 GLN 55 2HE2 GLN 55 -1.463 8.293 -11.455 341 H LEU 56 H LEU 56 -0.154 5.812 -7.286 342 HA LEU 56 HA LEU 56 1.159 6.128 -4.677 343 HB2 LEU 56 1HB LEU 56 1.112 3.732 -4.496 344 HB3 LEU 56 2HB LEU 56 -0.501 4.324 -4.889 345 HG LEU 56 HG LEU 56 0.243 3.738 -7.347 346 HD11 LEU 56 1HD1 LEU 56 2.065 2.084 -5.622 347 HD12 LEU 56 2HD1 LEU 56 2.487 3.111 -6.992 348 HD13 LEU 56 3HD1 LEU 56 1.603 1.608 -7.257 349 HD21 LEU 56 1HD2 LEU 56 -1.296 2.138 -7.142 350 HD22 LEU 56 2HD2 LEU 56 -1.363 2.569 -5.433 351 HD23 LEU 56 3HD2 LEU 56 -0.330 1.243 -5.969 352 H ASP 57 H ASP 57 3.281 5.263 -4.364 353 HA ASP 57 HA ASP 57 4.838 4.785 -6.801 354 HB2 ASP 57 1HB ASP 57 4.903 7.243 -5.829 355 HB3 ASP 57 2HB ASP 57 6.037 6.525 -4.688 356 H CYS 58 H CYS 58 6.155 3.095 -6.604 357 HA CYS 58 HA CYS 58 6.512 1.916 -3.954 358 HB2 CYS 58 1HB CYS 58 5.735 0.696 -6.172 359 HB3 CYS 58 2HB CYS 58 7.469 0.580 -6.448 360 HG CYS 58 HG CYS 58 6.975 -1.833 -5.401 361 H ARG 59 H ARG 59 8.352 2.122 -2.873 362 HA ARG 59 HA ARG 59 10.811 2.718 -4.383 363 HB2 ARG 59 1HB ARG 59 10.550 4.742 -3.350 364 HB3 ARG 59 2HB ARG 59 9.624 4.065 -2.018 365 HG2 ARG 59 1HG ARG 59 11.666 3.179 -1.030 366 HG3 ARG 59 2HG ARG 59 12.604 3.824 -2.379 367 HD2 ARG 59 1HD ARG 59 11.725 6.099 -1.756 368 HD3 ARG 59 2HD ARG 59 11.070 5.363 -0.294 369 HE ARG 59 HE ARG 59 13.847 5.934 -0.868 370 HH11 ARG 59 1HH1 ARG 59 11.581 4.183 1.111 371 HH12 ARG 59 2HH1 ARG 59 12.695 3.959 2.418 372 HH21 ARG 59 1HH2 ARG 59 15.324 5.646 0.846 373 HH22 ARG 59 2HH2 ARG 59 14.824 4.792 2.267 374 H GLU 60 H GLU 60 12.817 2.138 -3.213 375 HA GLU 60 HA GLU 60 12.497 -0.477 -1.980 376 HB2 GLU 60 1HB GLU 60 14.860 1.035 -3.073 377 HB3 GLU 60 2HB GLU 60 15.060 -0.445 -2.144 378 HG2 GLU 60 1HG GLU 60 14.189 -1.765 -3.788 379 HG3 GLU 60 2HG GLU 60 13.191 -0.473 -4.452 380 H CYS 61 H CYS 61 12.800 -0.912 0.116 381 HA CYS 61 HA CYS 61 14.011 1.169 1.810 382 HB2 CYS 61 1HB CYS 61 12.379 0.720 3.547 383 HB3 CYS 61 2HB CYS 61 11.542 1.138 2.057 384 HG CYS 61 HG CYS 61 10.263 -0.951 3.596 385 HA PRO 62 HA PRO 62 16.631 -1.983 3.384 386 HB2 PRO 62 1HB PRO 62 17.114 -1.020 5.876 387 HB3 PRO 62 2HB PRO 62 17.809 -0.303 4.418 388 HG2 PRO 62 1HG PRO 62 15.425 0.569 6.006 389 HG3 PRO 62 2HG PRO 62 16.723 1.553 5.304 390 HD2 PRO 62 1HD PRO 62 14.293 1.297 4.137 391 HD3 PRO 62 2HD PRO 62 15.785 1.513 3.199 392 H GLU 63 H GLU 63 13.504 -1.565 4.418 393 HA GLU 63 HA GLU 63 13.696 -3.771 6.361 394 HB2 GLU 63 1HB GLU 63 11.699 -1.529 6.090 395 HB3 GLU 63 2HB GLU 63 11.383 -2.955 7.068 396 HG2 GLU 63 1HG GLU 63 13.911 -1.476 7.536 397 HG3 GLU 63 2HG GLU 63 12.404 -0.755 8.097 398 H GLY 64 H GLY 64 12.959 -3.162 3.220 399 HA2 GLY 64 1HA GLY 64 12.192 -5.451 2.246 400 HA3 GLY 64 2HA GLY 64 10.713 -5.051 3.107 401 H HIS 65 H HIS 65 9.301 -3.583 2.250 402 HA HIS 65 HA HIS 65 10.090 -2.131 -0.162 403 HB2 HIS 65 1HB HIS 65 7.793 -4.083 0.010 404 HB3 HIS 65 2HB HIS 65 7.919 -2.860 -1.250 405 HD1 HIS 65 1HD HIS 65 10.058 -3.087 -2.853 406 HD2 HIS 65 2HD HIS 65 9.207 -6.375 -0.460 407 HE1 HIS 65 1HE HIS 65 11.336 -5.003 -3.863 408 HE2 HIS 65 2HE HIS 65 10.738 -6.999 -2.448 409 H VAL 66 H VAL 66 9.195 -0.150 -0.313 410 HA VAL 66 HA VAL 66 7.050 0.519 1.597 411 HB VAL 66 HB VAL 66 9.225 1.527 2.222 412 HG11 VAL 66 1HG1 VAL 66 9.494 3.626 0.413 413 HG12 VAL 66 2HG1 VAL 66 10.564 2.233 0.590 414 HG13 VAL 66 3HG1 VAL 66 9.252 2.194 -0.588 415 HG21 VAL 66 1HG2 VAL 66 6.774 2.666 2.266 416 HG22 VAL 66 2HG2 VAL 66 8.212 3.389 2.989 417 HG23 VAL 66 3HG2 VAL 66 7.686 3.891 1.383 418 H VAL 67 H VAL 67 5.496 2.044 0.938 419 HA VAL 67 HA VAL 67 5.521 2.843 -1.880 420 HB VAL 67 HB VAL 67 3.212 1.406 -0.564 421 HG11 VAL 67 1HG1 VAL 67 2.383 1.569 -3.045 422 HG12 VAL 67 2HG1 VAL 67 2.123 2.906 -1.923 423 HG13 VAL 67 3HG1 VAL 67 3.445 2.976 -3.088 424 HG21 VAL 67 1HG2 VAL 67 4.483 -0.353 -1.221 425 HG22 VAL 67 2HG2 VAL 67 3.725 -0.010 -2.776 426 HG23 VAL 67 3HG2 VAL 67 5.350 0.584 -2.437 427 H THR 68 H THR 68 4.728 4.837 -2.227 428 HA THR 68 HA THR 68 3.356 6.166 0.020 429 HB THR 68 HB THR 68 5.073 7.593 -2.008 430 HG1 THR 68 1HG THR 68 6.582 7.621 -0.111 431 HG21 THR 68 1HG2 THR 68 4.583 9.468 -0.878 432 HG22 THR 68 2HG2 THR 68 4.787 8.681 0.687 433 HG23 THR 68 3HG2 THR 68 3.256 8.543 -0.177 434 H TYR 69 H TYR 69 1.513 7.265 -0.400 435 HA TYR 69 HA TYR 69 0.760 7.808 -3.170 436 HB2 TYR 69 1HB TYR 69 -1.342 6.692 -3.033 437 HB3 TYR 69 2HB TYR 69 -0.125 5.536 -2.504 438 HD1 TYR 69 1HD TYR 69 -2.749 7.860 -1.303 439 HD2 TYR 69 2HD TYR 69 -0.214 4.580 -0.345 440 HE1 TYR 69 1HE TYR 69 -3.997 7.514 0.788 441 HE2 TYR 69 2HE TYR 69 -1.456 4.224 1.748 442 HH TYR 69 HH TYR 69 -3.056 4.980 3.091 443 H THR 70 H THR 70 -1.157 9.211 -3.325 444 HA THR 70 HA THR 70 -1.535 10.858 -0.911 445 HB THR 70 HB THR 70 -1.288 11.873 -3.750 446 HG1 THR 70 1HG THR 70 0.569 12.979 -2.685 447 HG21 THR 70 1HG2 THR 70 -2.409 13.038 -1.326 448 HG22 THR 70 2HG2 THR 70 -2.524 13.584 -2.999 449 HG23 THR 70 3HG2 THR 70 -1.122 14.020 -2.023 450 HA PRO 71 HA PRO 71 -5.794 9.841 -1.747 451 HB2 PRO 71 1HB PRO 71 -6.825 11.243 0.336 452 HB3 PRO 71 2HB PRO 71 -6.039 9.672 0.531 453 HG2 PRO 71 1HG PRO 71 -4.929 12.415 0.986 454 HG3 PRO 71 2HG PRO 71 -4.744 10.954 1.975 455 HD2 PRO 71 1HD PRO 71 -2.822 11.813 0.273 456 HD3 PRO 71 2HD PRO 71 -3.091 10.093 0.620 457 H MET 72 H MET 72 -7.481 10.840 -2.768 458 HA MET 72 HA MET 72 -7.120 13.692 -3.386 459 HB2 MET 72 1HB MET 72 -8.520 11.485 -4.896 460 HB3 MET 72 2HB MET 72 -8.640 13.183 -5.338 461 HG2 MET 72 1HG MET 72 -5.922 12.061 -5.022 462 HG3 MET 72 2HG MET 72 -6.861 11.531 -6.416 463 HE1 MET 72 1HE MET 72 -5.593 14.613 -4.413 464 HE2 MET 72 2HE MET 72 -5.875 15.950 -5.528 465 HE3 MET 72 3HE MET 72 -7.241 15.128 -4.772 466 H ALA 73 H ALA 73 -9.268 11.362 -1.992 467 HA ALA 73 HA ALA 73 -10.997 13.503 -1.065 468 HB1 ALA 73 1HB ALA 73 -12.682 13.131 -2.455 469 HB2 ALA 73 2HB ALA 73 -11.742 11.883 -3.275 470 HB3 ALA 73 3HB ALA 73 -12.769 11.457 -1.906 471 HA PRO 74 HA PRO 74 -11.113 11.042 2.573 472 HB2 PRO 74 1HB PRO 74 -13.471 11.855 3.644 473 HB3 PRO 74 2HB PRO 74 -12.025 12.871 3.622 474 HG2 PRO 74 1HG PRO 74 -14.392 12.906 1.790 475 HG3 PRO 74 2HG PRO 74 -13.519 14.268 2.515 476 HD2 PRO 74 1HD PRO 74 -13.119 13.477 -0.043 477 HD3 PRO 74 2HD PRO 74 -11.827 14.178 0.952 478 H GLY 75 H GLY 75 -11.456 8.912 2.586 479 HA2 GLY 75 1HA GLY 75 -14.020 7.761 2.704 480 HA3 GLY 75 2HA GLY 75 -13.403 7.579 1.069 481 H ASN 76 H ASN 76 -13.598 5.265 1.595 482 HA ASN 76 HA ASN 76 -11.371 4.289 3.250 483 HB2 ASN 76 1HB ASN 76 -13.872 2.857 2.327 484 HB3 ASN 76 2HB ASN 76 -12.594 2.136 3.302 485 HD21 ASN 76 1HD2 ASN 76 -15.534 3.648 3.383 486 HD22 ASN 76 2HD2 ASN 76 -15.549 4.137 5.040 487 H TYR 77 H TYR 77 -9.628 3.659 2.180 488 HA TYR 77 HA TYR 77 -9.928 2.720 -0.591 489 HB2 TYR 77 1HB TYR 77 -7.501 3.845 0.822 490 HB3 TYR 77 2HB TYR 77 -7.531 3.287 -0.847 491 HD1 TYR 77 1HD TYR 77 -9.257 5.706 1.414 492 HD2 TYR 77 2HD TYR 77 -7.937 4.822 -2.533 493 HE1 TYR 77 1HE TYR 77 -9.957 7.948 0.684 494 HE2 TYR 77 2HE TYR 77 -8.632 7.062 -3.273 495 HH TYR 77 HH TYR 77 -9.142 9.553 -1.369 496 H LEU 78 H LEU 78 -9.631 0.636 -0.993 497 HA LEU 78 HA LEU 78 -8.676 -1.126 1.085 498 HB2 LEU 78 1HB LEU 78 -10.589 -1.495 -0.650 499 HB3 LEU 78 2HB LEU 78 -9.275 -2.013 -1.704 500 HG LEU 78 HG LEU 78 -10.362 -3.920 -0.660 501 HD11 LEU 78 1HD1 LEU 78 -8.407 -5.028 0.185 502 HD12 LEU 78 2HD1 LEU 78 -7.628 -3.484 0.529 503 HD13 LEU 78 3HD1 LEU 78 -7.931 -3.966 -1.140 504 HD21 LEU 78 1HD2 LEU 78 -9.472 -2.748 1.972 505 HD22 LEU 78 2HD2 LEU 78 -10.325 -4.272 1.726 506 HD23 LEU 78 3HD2 LEU 78 -11.131 -2.742 1.375 507 H ILE 79 H ILE 79 -6.583 -1.465 1.386 508 HA ILE 79 HA ILE 79 -4.733 -1.178 -0.864 509 HB ILE 79 HB ILE 79 -4.171 -1.431 2.093 510 HG12 ILE 79 1HG1 ILE 79 -3.663 0.999 0.406 511 HG13 ILE 79 2HG1 ILE 79 -5.263 0.710 1.079 512 HG21 ILE 79 1HG2 ILE 79 -2.416 -2.331 0.507 513 HG22 ILE 79 2HG2 ILE 79 -2.222 -0.675 -0.066 514 HG23 ILE 79 3HG2 ILE 79 -1.886 -1.070 1.620 515 HD11 ILE 79 1HD1 ILE 79 -4.220 0.599 3.331 516 HD12 ILE 79 2HD1 ILE 79 -2.693 1.080 2.591 517 HD13 ILE 79 3HD1 ILE 79 -4.079 2.169 2.540 518 H ALA 80 H ALA 80 -4.581 -3.020 -1.998 519 HA ALA 80 HA ALA 80 -4.646 -5.602 -0.681 520 HB1 ALA 80 1HB ALA 80 -5.328 -6.373 -2.653 521 HB2 ALA 80 2HB ALA 80 -5.376 -4.696 -3.198 522 HB3 ALA 80 3HB ALA 80 -3.939 -5.676 -3.486 523 H ILE 81 H ILE 81 -2.939 -6.860 -0.224 524 HA ILE 81 HA ILE 81 -0.325 -6.183 -1.372 525 HB ILE 81 HB ILE 81 -0.759 -6.706 1.571 526 HG12 ILE 81 1HG1 ILE 81 0.081 -4.129 0.233 527 HG13 ILE 81 2HG1 ILE 81 -1.568 -4.468 0.747 528 HG21 ILE 81 1HG2 ILE 81 1.366 -7.541 0.913 529 HG22 ILE 81 2HG2 ILE 81 1.700 -6.109 -0.059 530 HG23 ILE 81 3HG2 ILE 81 1.646 -5.988 1.700 531 HD11 ILE 81 1HD1 ILE 81 -1.071 -3.688 2.750 532 HD12 ILE 81 2HD1 ILE 81 0.112 -4.981 2.951 533 HD13 ILE 81 3HD1 ILE 81 0.603 -3.435 2.259 534 H LYS 82 H LYS 82 0.254 -7.954 -2.439 535 HA LYS 82 HA LYS 82 -0.189 -10.571 -1.155 536 HB2 LYS 82 1HB LYS 82 -0.075 -9.902 -4.102 537 HB3 LYS 82 2HB LYS 82 -0.203 -11.528 -3.445 538 HG2 LYS 82 1HG LYS 82 -2.317 -10.554 -2.250 539 HG3 LYS 82 2HG LYS 82 -2.236 -9.356 -3.544 540 HD2 LYS 82 1HD LYS 82 -2.080 -11.353 -5.136 541 HD3 LYS 82 2HD LYS 82 -2.600 -12.331 -3.761 542 HE2 LYS 82 1HE LYS 82 -4.155 -9.890 -4.478 543 HE3 LYS 82 2HE LYS 82 -4.347 -11.344 -5.456 544 HZ1 LYS 82 1HZ LYS 82 -4.884 -12.561 -3.406 545 HZ2 LYS 82 2HZ LYS 82 -5.984 -11.316 -3.720 546 HZ3 LYS 82 3HZ LYS 82 -4.799 -11.116 -2.530 547 H TYR 83 H TYR 83 1.411 -12.253 -1.803 548 HA TYR 83 HA TYR 83 3.979 -11.376 -2.757 549 HB2 TYR 83 1HB TYR 83 3.814 -10.725 -0.262 550 HB3 TYR 83 2HB TYR 83 3.942 -12.452 0.052 551 HD1 TYR 83 2HD TYR 83 5.687 -9.577 -1.508 552 HD2 TYR 83 1HD TYR 83 6.033 -13.539 0.002 553 HE1 TYR 83 2HE TYR 83 8.136 -9.417 -1.667 554 HE2 TYR 83 1HE TYR 83 8.483 -13.391 -0.152 555 HH TYR 83 HH TYR 83 10.183 -12.143 -1.321 556 H GLY 84 H GLY 84 5.065 -13.028 -3.668 557 HA2 GLY 84 1HA GLY 84 5.191 -15.135 -4.640 558 HA3 GLY 84 2HA GLY 84 5.446 -15.582 -2.960 559 H GLY 85 H GLY 85 2.501 -14.434 -4.582 560 HA2 GLY 85 1HA GLY 85 1.170 -16.753 -5.081 561 HA3 GLY 85 2HA GLY 85 0.966 -16.537 -3.349 562 HA PRO 86 HA PRO 86 -1.910 -13.773 -6.072 563 HB2 PRO 86 1HB PRO 86 -3.962 -15.464 -6.624 564 HB3 PRO 86 2HB PRO 86 -2.585 -15.239 -7.708 565 HG2 PRO 86 1HG PRO 86 -3.097 -17.422 -5.725 566 HG3 PRO 86 2HG PRO 86 -2.471 -17.538 -7.380 567 HD2 PRO 86 1HD PRO 86 -0.863 -17.640 -5.203 568 HD3 PRO 86 2HD PRO 86 -0.336 -16.941 -6.748 569 H GLN 87 H GLN 87 -1.895 -15.612 -3.300 570 HA GLN 87 HA GLN 87 -4.538 -14.775 -2.388 571 HB2 GLN 87 1HB GLN 87 -4.181 -16.206 -0.493 572 HB3 GLN 87 2HB GLN 87 -3.708 -17.087 -1.940 573 HG2 GLN 87 1HG GLN 87 -1.344 -16.472 -1.456 574 HG3 GLN 87 2HG GLN 87 -1.893 -15.787 0.073 575 HE21 GLN 87 1HE2 GLN 87 -1.899 -17.078 1.768 576 HE22 GLN 87 2HE2 GLN 87 -1.852 -18.805 1.729 577 H HIS 88 H HIS 88 -4.789 -13.680 -0.328 578 HA HIS 88 HA HIS 88 -3.057 -11.424 -0.115 579 HB2 HIS 88 1HB HIS 88 -5.374 -12.365 1.579 580 HB3 HIS 88 2HB HIS 88 -4.515 -10.854 1.863 581 HD1 HIS 88 1HD HIS 88 -5.200 -8.870 0.486 582 HD2 HIS 88 2HD HIS 88 -6.805 -12.431 -0.932 583 HE1 HIS 88 1HE HIS 88 -6.844 -8.204 -1.297 584 HE2 HIS 88 2HE HIS 88 -7.864 -10.369 -2.080 585 H ILE 89 H ILE 89 -1.595 -10.887 1.470 586 HA ILE 89 HA ILE 89 -0.268 -13.052 2.769 587 HB ILE 89 HB ILE 89 1.267 -11.402 3.637 588 HG12 ILE 89 1HG1 ILE 89 -0.484 -9.231 2.490 589 HG13 ILE 89 2HG1 ILE 89 -0.608 -9.743 4.169 590 HG21 ILE 89 1HG2 ILE 89 0.490 -11.492 0.830 591 HG22 ILE 89 2HG2 ILE 89 1.378 -10.032 1.261 592 HG23 ILE 89 3HG2 ILE 89 2.086 -11.618 1.569 593 HD11 ILE 89 1HD1 ILE 89 1.793 -8.543 2.816 594 HD12 ILE 89 2HD1 ILE 89 0.771 -7.797 4.045 595 HD13 ILE 89 3HD1 ILE 89 1.784 -9.179 4.460 596 H VAL 90 H VAL 90 0.201 -13.147 5.080 597 HA VAL 90 HA VAL 90 -2.018 -13.358 6.681 598 HB VAL 90 HB VAL 90 0.003 -14.404 7.384 599 HG11 VAL 90 1HG1 VAL 90 1.195 -11.953 6.654 600 HG12 VAL 90 2HG1 VAL 90 1.561 -12.220 8.360 601 HG13 VAL 90 3HG1 VAL 90 1.991 -13.442 7.163 602 HG21 VAL 90 1HG2 VAL 90 -0.037 -13.960 9.674 603 HG22 VAL 90 2HG2 VAL 90 -0.355 -12.242 9.432 604 HG23 VAL 90 3HG2 VAL 90 -1.624 -13.426 9.120 605 H GLY 91 H GLY 91 -3.442 -11.695 6.815 606 HA2 GLY 91 1HA GLY 91 -3.890 -9.874 8.464 607 HA3 GLY 91 2HA GLY 91 -2.401 -9.143 7.884 608 H SER 92 H SER 92 -2.771 -9.620 5.120 609 HA SER 92 HA SER 92 -4.401 -7.385 4.466 610 HB2 SER 92 1HB SER 92 -2.730 -9.332 2.956 611 HB3 SER 92 2HB SER 92 -3.958 -8.446 2.051 612 HG SER 92 HG SER 92 -2.814 -6.689 2.236 613 HA PRO 93 HA PRO 93 -5.229 -6.900 2.185 614 HB2 PRO 93 1HB PRO 93 -7.571 -5.550 1.933 615 HB3 PRO 93 2HB PRO 93 -7.063 -6.811 0.804 616 HG2 PRO 93 1HG PRO 93 -8.969 -6.986 3.105 617 HG3 PRO 93 2HG PRO 93 -9.115 -7.673 1.477 618 HD2 PRO 93 1HD PRO 93 -8.346 -9.145 3.616 619 HD3 PRO 93 2HD PRO 93 -7.751 -9.463 1.973 620 H PHE 94 H PHE 94 -5.543 -4.487 2.683 621 HA PHE 94 HA PHE 94 -5.933 -4.126 5.582 622 HB2 PHE 94 1HB PHE 94 -3.803 -2.983 3.777 623 HB3 PHE 94 2HB PHE 94 -4.163 -2.305 5.361 624 HD1 PHE 94 2HD PHE 94 -3.710 -3.596 7.396 625 HD2 PHE 94 1HD PHE 94 -2.619 -5.039 3.543 626 HE1 PHE 94 2HE PHE 94 -2.205 -5.238 8.441 627 HE2 PHE 94 1HE PHE 94 -1.113 -6.684 4.582 628 HZ PHE 94 HZ PHE 94 -0.904 -6.784 7.034 629 H LYS 95 H LYS 95 -7.502 -2.755 6.069 630 HA LYS 95 HA LYS 95 -8.645 -1.056 4.023 631 HB2 LYS 95 1HB LYS 95 -10.072 -2.349 5.589 632 HB3 LYS 95 2HB LYS 95 -9.441 -1.389 6.921 633 HG2 LYS 95 1HG LYS 95 -11.532 -0.461 6.387 634 HG3 LYS 95 2HG LYS 95 -10.331 0.642 5.711 635 HD2 LYS 95 1HD LYS 95 -11.986 0.381 4.044 636 HD3 LYS 95 2HD LYS 95 -10.617 -0.604 3.524 637 HE2 LYS 95 1HE LYS 95 -12.633 -1.857 3.181 638 HE3 LYS 95 2HE LYS 95 -11.741 -2.586 4.516 639 HZ1 LYS 95 1HZ LYS 95 -14.313 -1.244 4.521 640 HZ2 LYS 95 2HZ LYS 95 -13.305 -0.877 5.828 641 HZ3 LYS 95 3HZ LYS 95 -13.735 -2.483 5.517 642 H ALA 96 H ALA 96 -8.330 1.069 3.796 643 HA ALA 96 HA ALA 96 -6.924 2.500 5.957 644 HB1 ALA 96 1HB ALA 96 -5.665 1.952 3.739 645 HB2 ALA 96 2HB ALA 96 -6.596 3.308 3.102 646 HB3 ALA 96 3HB ALA 96 -5.511 3.549 4.471 647 H LYS 97 H LYS 97 -8.305 3.871 6.867 648 HA LYS 97 HA LYS 97 -10.350 5.164 5.208 649 HB2 LYS 97 1HB LYS 97 -11.206 4.016 7.166 650 HB3 LYS 97 2HB LYS 97 -10.095 4.895 8.208 651 HG2 LYS 97 1HG LYS 97 -11.246 6.948 7.827 652 HG3 LYS 97 2HG LYS 97 -12.244 6.216 6.568 653 HD2 LYS 97 1HD LYS 97 -13.667 6.219 8.397 654 HD3 LYS 97 2HD LYS 97 -12.985 4.592 8.450 655 HE2 LYS 97 1HE LYS 97 -11.732 6.851 9.972 656 HE3 LYS 97 2HE LYS 97 -13.101 5.958 10.633 657 HZ1 LYS 97 1HZ LYS 97 -11.390 4.014 9.791 658 HZ2 LYS 97 2HZ LYS 97 -11.590 4.533 11.388 659 HZ3 LYS 97 3HZ LYS 97 -10.353 5.185 10.435 660 H VAL 98 H VAL 98 -9.781 7.072 4.406 661 HA VAL 98 HA VAL 98 -7.950 8.785 5.928 662 HB VAL 98 HB VAL 98 -8.816 8.876 3.038 663 HG11 VAL 98 1HG1 VAL 98 -7.051 10.773 4.579 664 HG12 VAL 98 2HG1 VAL 98 -7.167 10.725 2.819 665 HG13 VAL 98 3HG1 VAL 98 -8.581 11.145 3.786 666 HG21 VAL 98 1HG2 VAL 98 -6.076 8.455 4.217 667 HG22 VAL 98 2HG2 VAL 98 -7.150 7.141 3.738 668 HG23 VAL 98 3HG2 VAL 98 -6.559 8.282 2.530 669 H THR 99 H THR 99 -8.485 10.822 6.587 670 HA THR 99 HA THR 99 -11.294 11.630 6.199 671 HB THR 99 HB THR 99 -10.897 10.992 8.519 672 HG1 THR 99 1HG THR 99 -11.753 12.842 9.393 673 HG21 THR 99 1HG2 THR 99 -8.507 11.355 8.669 674 HG22 THR 99 2HG2 THR 99 -9.322 12.307 9.910 675 HG23 THR 99 3HG2 THR 99 -8.726 13.090 8.446 676 H GLY 100 H GLY 100 -11.675 13.993 6.398 677 HA2 GLY 100 1HA GLY 100 -10.599 16.217 6.408 678 HA3 GLY 100 2HA GLY 100 -9.364 15.521 5.369 679 HA PRO 101 HA PRO 101 -13.063 17.396 2.981 680 HB2 PRO 101 1HB PRO 101 -12.007 19.818 2.358 681 HB3 PRO 101 2HB PRO 101 -12.985 19.540 3.804 682 HG2 PRO 101 1HG PRO 101 -10.007 19.677 3.529 683 HG3 PRO 101 2HG PRO 101 -11.048 20.380 4.780 684 HD2 PRO 101 1HD PRO 101 -9.660 18.087 5.160 685 HD3 PRO 101 2HD PRO 101 -11.235 18.387 5.922 686 H ARG 102 H ARG 102 -13.084 16.864 0.887 687 HA ARG 102 HA ARG 102 -11.146 15.708 -0.552 688 HB2 ARG 102 1HB ARG 102 -13.600 16.262 -1.196 689 HB3 ARG 102 2HB ARG 102 -12.911 17.692 -1.953 690 HG2 ARG 102 1HG ARG 102 -11.740 16.446 -3.529 691 HG3 ARG 102 2HG ARG 102 -11.862 14.962 -2.584 692 HD2 ARG 102 1HD ARG 102 -14.332 15.018 -2.968 693 HD3 ARG 102 2HD ARG 102 -14.073 16.373 -4.066 694 HE ARG 102 HE ARG 102 -13.608 13.607 -4.609 695 HH11 ARG 102 1HH1 ARG 102 -12.567 16.841 -5.369 696 HH12 ARG 102 2HH1 ARG 102 -11.955 16.417 -6.933 697 HH21 ARG 102 1HH2 ARG 102 -12.806 13.036 -6.667 698 HH22 ARG 102 2HH2 ARG 102 -12.093 14.252 -7.671 699 H LEU 103 H LEU 103 -9.076 16.394 -0.536 700 HA LEU 103 HA LEU 103 -8.490 19.181 -1.211 701 HB2 LEU 103 1HB LEU 103 -6.913 16.957 0.026 702 HB3 LEU 103 2HB LEU 103 -6.097 18.357 -0.667 703 HG LEU 103 HG LEU 103 -8.236 18.755 1.383 704 HD11 LEU 103 1HD1 LEU 103 -5.597 18.720 2.539 705 HD12 LEU 103 2HD1 LEU 103 -6.015 17.143 1.870 706 HD13 LEU 103 3HD1 LEU 103 -7.068 17.900 3.065 707 HD21 LEU 103 1HD2 LEU 103 -6.528 20.624 1.933 708 HD22 LEU 103 2HD2 LEU 103 -7.545 20.782 0.500 709 HD23 LEU 103 3HD2 LEU 103 -5.868 20.257 0.339 710 H SER 104 H SER 104 -7.966 19.720 -3.215 711 HA SER 104 HA SER 104 -6.456 17.855 -4.877 712 HB2 SER 104 1HB SER 104 -8.811 17.416 -5.434 713 HB3 SER 104 2HB SER 104 -9.051 19.128 -5.782 714 HG SER 104 HG SER 104 -8.622 18.268 -7.726 715 H GLY 105 H GLY 105 -5.892 18.987 -7.039 716 HA2 GLY 105 1HA GLY 105 -5.790 21.856 -7.002 717 HA3 GLY 105 2HA GLY 105 -4.246 21.123 -6.594 718 H SER 106 H SER 106 -3.894 19.090 -8.220 719 HA SER 106 HA SER 106 -3.433 20.330 -10.749 720 HB2 SER 106 1HB SER 106 -2.866 17.658 -9.543 721 HB3 SER 106 2HB SER 106 -2.802 17.811 -11.299 722 HG SER 106 HG SER 106 -0.805 18.371 -10.734 723 H GLY 107 H GLY 107 -4.451 20.050 -12.683 724 HA2 GLY 107 1HA GLY 107 -6.309 18.000 -13.256 725 HA3 GLY 107 2HA GLY 107 -7.174 19.437 -12.732 726 HA PRO 108 HA PRO 108 -4.826 20.685 -16.776 727 HB2 PRO 108 1HB PRO 108 -3.646 18.671 -18.162 728 HB3 PRO 108 2HB PRO 108 -2.804 19.604 -16.919 729 HG2 PRO 108 1HG PRO 108 -4.084 16.905 -16.719 730 HG3 PRO 108 2HG PRO 108 -2.529 17.457 -16.070 731 HD2 PRO 108 1HD PRO 108 -4.755 17.250 -14.542 732 HD3 PRO 108 2HD PRO 108 -3.508 18.480 -14.252 733 H SER 109 H SER 109 -7.047 18.310 -16.181 734 HA SER 109 HA SER 109 -7.887 18.054 -18.979 735 HB2 SER 109 1HB SER 109 -7.665 15.997 -17.539 736 HB3 SER 109 2HB SER 109 -9.010 16.605 -16.573 737 HG SER 109 HG SER 109 -9.993 16.746 -18.881 738 H SER 110 H SER 110 -8.836 20.043 -19.345 739 HA SER 110 HA SER 110 -11.426 20.425 -18.035 740 HB2 SER 110 1HB SER 110 -9.781 21.904 -16.892 741 HB3 SER 110 2HB SER 110 -9.442 22.676 -18.441 742 HG SER 110 HG SER 110 -11.905 22.947 -18.395 743 H GLY 111 H GLY 111 -12.994 20.766 -19.470 744 HA2 GLY 111 1HA GLY 111 -13.157 22.447 -21.571 745 HA3 GLY 111 2HA GLY 111 -12.307 21.074 -22.266 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -5.889 -20.506 -17.757 2 HA2 GLY 1 1HA GLY 1 -3.640 -19.698 -19.343 3 HA3 GLY 1 2HA GLY 1 -4.256 -18.881 -17.913 4 H SER 2 H SER 2 -2.818 -18.757 -16.339 5 HA SER 2 HA SER 2 -0.349 -19.887 -16.220 6 HB2 SER 2 1HB SER 2 -2.211 -18.910 -14.089 7 HB3 SER 2 2HB SER 2 -0.702 -19.689 -13.615 8 HG SER 2 HG SER 2 -0.509 -17.401 -13.858 9 H SER 3 H SER 3 0.596 -21.720 -15.389 10 HA SER 3 HA SER 3 -1.041 -24.074 -15.352 11 HB2 SER 3 1HB SER 3 1.896 -23.524 -15.108 12 HB3 SER 3 2HB SER 3 1.270 -25.112 -14.667 13 HG SER 3 HG SER 3 1.312 -23.841 -17.169 14 H GLY 4 H GLY 4 1.167 -22.623 -12.948 15 HA2 GLY 4 1HA GLY 4 -0.692 -23.229 -10.817 16 HA3 GLY 4 2HA GLY 4 0.773 -24.200 -10.789 17 H SER 5 H SER 5 2.790 -23.172 -10.435 18 HA SER 5 HA SER 5 3.076 -20.398 -9.995 19 HB2 SER 5 1HB SER 5 1.669 -20.832 -8.033 20 HB3 SER 5 2HB SER 5 2.787 -22.086 -7.497 21 HG SER 5 HG SER 5 4.356 -20.143 -7.725 22 H SER 6 H SER 6 5.179 -19.909 -10.106 23 HA SER 6 HA SER 6 7.109 -22.103 -9.744 24 HB2 SER 6 1HB SER 6 6.901 -21.114 -12.048 25 HB3 SER 6 2HB SER 6 7.490 -19.590 -11.385 26 HG SER 6 HG SER 6 9.111 -21.022 -12.349 27 H GLY 7 H GLY 7 8.769 -21.886 -8.347 28 HA2 GLY 7 1HA GLY 7 9.908 -21.057 -6.527 29 HA3 GLY 7 2HA GLY 7 10.056 -19.607 -7.510 30 H ALA 8 H ALA 8 7.882 -21.267 -5.252 31 HA ALA 8 HA ALA 8 6.437 -18.821 -4.696 32 HB1 ALA 8 1HB ALA 8 6.135 -21.301 -3.062 33 HB2 ALA 8 2HB ALA 8 4.921 -20.113 -3.540 34 HB3 ALA 8 3HB ALA 8 5.535 -21.270 -4.720 35 H GLY 9 H GLY 9 6.247 -17.916 -2.550 36 HA2 GLY 9 1HA GLY 9 8.729 -18.268 -0.984 37 HA3 GLY 9 2HA GLY 9 7.892 -16.733 -1.160 38 H ASP 10 H ASP 10 7.684 -16.453 1.068 39 HA ASP 10 HA ASP 10 5.636 -18.169 2.299 40 HB2 ASP 10 1HB ASP 10 7.823 -16.944 3.950 41 HB3 ASP 10 2HB ASP 10 6.781 -18.313 4.330 42 HA PRO 11 HA PRO 11 4.031 -13.912 2.436 43 HB2 PRO 11 1HB PRO 11 1.428 -14.680 2.520 44 HB3 PRO 11 2HB PRO 11 2.348 -14.566 1.015 45 HG2 PRO 11 1HG PRO 11 1.711 -16.979 2.668 46 HG3 PRO 11 2HG PRO 11 1.666 -16.787 0.906 47 HD2 PRO 11 1HD PRO 11 3.725 -17.992 2.187 48 HD3 PRO 11 2HD PRO 11 3.944 -17.061 0.691 49 H GLY 12 H GLY 12 3.120 -16.701 4.422 50 HA2 GLY 12 1HA GLY 12 1.767 -15.426 6.476 51 HA3 GLY 12 2HA GLY 12 2.733 -16.880 6.679 52 H LEU 13 H LEU 13 5.193 -15.477 5.813 53 HA LEU 13 HA LEU 13 5.771 -14.208 8.386 54 HB2 LEU 13 1HB LEU 13 7.731 -15.000 6.245 55 HB3 LEU 13 2HB LEU 13 8.075 -14.615 7.930 56 HG LEU 13 HG LEU 13 6.691 -17.076 6.872 57 HD11 LEU 13 1HD1 LEU 13 8.642 -18.161 8.068 58 HD12 LEU 13 2HD1 LEU 13 9.364 -16.554 8.140 59 HD13 LEU 13 3HD1 LEU 13 9.017 -17.294 6.578 60 HD21 LEU 13 1HD2 LEU 13 7.335 -16.506 9.750 61 HD22 LEU 13 2HD2 LEU 13 6.328 -17.789 9.079 62 HD23 LEU 13 3HD2 LEU 13 5.767 -16.117 9.043 63 H VAL 14 H VAL 14 4.391 -12.954 5.994 64 HA VAL 14 HA VAL 14 6.174 -10.617 5.772 65 HB VAL 14 HB VAL 14 4.330 -11.719 3.648 66 HG11 VAL 14 1HG1 VAL 14 5.735 -9.100 3.921 67 HG12 VAL 14 2HG1 VAL 14 5.534 -9.814 2.320 68 HG13 VAL 14 3HG1 VAL 14 4.119 -9.452 3.309 69 HG21 VAL 14 1HG2 VAL 14 6.342 -12.976 3.686 70 HG22 VAL 14 2HG2 VAL 14 6.490 -11.833 2.351 71 HG23 VAL 14 3HG2 VAL 14 7.327 -11.525 3.872 72 H SER 15 H SER 15 5.338 -8.756 6.457 73 HA SER 15 HA SER 15 2.448 -8.347 6.417 74 HB2 SER 15 1HB SER 15 4.036 -7.856 8.942 75 HB3 SER 15 2HB SER 15 2.287 -7.761 8.733 76 HG SER 15 HG SER 15 2.736 -10.140 8.024 77 H ALA 16 H ALA 16 1.849 -6.089 6.846 78 HA ALA 16 HA ALA 16 4.033 -4.226 6.175 79 HB1 ALA 16 1HB ALA 16 1.232 -4.360 5.104 80 HB2 ALA 16 2HB ALA 16 2.197 -2.886 5.013 81 HB3 ALA 16 3HB ALA 16 2.756 -4.357 4.215 82 H TYR 17 H TYR 17 4.150 -2.337 7.294 83 HA TYR 17 HA TYR 17 2.006 -1.739 9.213 84 HB2 TYR 17 1HB TYR 17 3.761 -1.137 10.888 85 HB3 TYR 17 2HB TYR 17 3.706 -2.854 10.504 86 HD1 TYR 17 1HD TYR 17 5.589 0.277 9.956 87 HD2 TYR 17 2HD TYR 17 5.577 -3.956 9.531 88 HE1 TYR 17 1HE TYR 17 7.987 0.331 9.411 89 HE2 TYR 17 2HE TYR 17 7.975 -3.915 8.986 90 HH TYR 17 HH TYR 17 9.723 -0.869 8.618 91 H GLY 18 H GLY 18 1.635 0.421 9.620 92 HA2 GLY 18 1HA GLY 18 3.062 2.647 9.354 93 HA3 GLY 18 2HA GLY 18 2.787 2.251 7.664 94 HA PRO 19 HA PRO 19 -0.838 4.614 9.684 95 HB2 PRO 19 1HB PRO 19 -0.310 7.097 8.723 96 HB3 PRO 19 2HB PRO 19 0.287 6.524 10.285 97 HG2 PRO 19 1HG PRO 19 1.706 6.674 7.653 98 HG3 PRO 19 2HG PRO 19 2.298 7.102 9.269 99 HD2 PRO 19 1HD PRO 19 2.923 4.761 8.062 100 HD3 PRO 19 2HD PRO 19 2.749 4.911 9.823 101 H GLY 20 H GLY 20 0.617 4.160 6.622 102 HA2 GLY 20 1HA GLY 20 -1.381 5.398 5.005 103 HA3 GLY 20 2HA GLY 20 -0.186 4.228 4.465 104 H LEU 21 H LEU 21 -1.021 2.213 6.420 105 HA LEU 21 HA LEU 21 -3.113 1.025 4.855 106 HB2 LEU 21 1HB LEU 21 -2.006 0.014 7.462 107 HB3 LEU 21 2HB LEU 21 -2.804 -0.914 6.194 108 HG LEU 21 HG LEU 21 -0.241 0.473 5.562 109 HD11 LEU 21 1HD1 LEU 21 0.882 -1.711 6.277 110 HD12 LEU 21 2HD1 LEU 21 -0.548 -1.970 7.275 111 HD13 LEU 21 3HD1 LEU 21 0.465 -0.551 7.538 112 HD21 LEU 21 1HD2 LEU 21 -1.988 -1.261 4.240 113 HD22 LEU 21 2HD2 LEU 21 -0.575 -2.236 4.647 114 HD23 LEU 21 3HD2 LEU 21 -0.384 -0.751 3.714 115 H GLU 22 H GLU 22 -2.820 2.088 8.241 116 HA GLU 22 HA GLU 22 -5.542 1.557 8.874 117 HB2 GLU 22 1HB GLU 22 -3.267 2.943 10.208 118 HB3 GLU 22 2HB GLU 22 -4.889 3.286 10.790 119 HG2 GLU 22 1HG GLU 22 -3.961 0.465 10.465 120 HG3 GLU 22 2HG GLU 22 -3.521 1.400 11.893 121 H GLY 23 H GLY 23 -3.908 4.176 7.343 122 HA2 GLY 23 1HA GLY 23 -5.302 5.680 6.014 123 HA3 GLY 23 2HA GLY 23 -6.434 5.706 7.358 124 H GLY 24 H GLY 24 -5.837 8.099 6.530 125 HA2 GLY 24 1HA GLY 24 -4.337 9.225 8.725 126 HA3 GLY 24 2HA GLY 24 -3.573 9.451 7.158 127 H THR 25 H THR 25 -4.039 11.284 6.159 128 HA THR 25 HA THR 25 -6.704 12.461 6.499 129 HB THR 25 HB THR 25 -4.091 13.916 6.920 130 HG1 THR 25 1HG THR 25 -5.077 14.392 8.935 131 HG21 THR 25 1HG2 THR 25 -5.501 15.300 5.513 132 HG22 THR 25 2HG2 THR 25 -5.468 15.958 7.149 133 HG23 THR 25 3HG2 THR 25 -6.872 15.048 6.592 134 H THR 26 H THR 26 -7.305 13.952 4.829 135 HA THR 26 HA THR 26 -6.518 13.132 2.248 136 HB THR 26 HB THR 26 -7.839 15.151 1.474 137 HG1 THR 26 1HG THR 26 -8.857 16.377 3.011 138 HG21 THR 26 1HG2 THR 26 -9.181 13.275 3.426 139 HG22 THR 26 2HG2 THR 26 -8.867 12.945 1.722 140 HG23 THR 26 3HG2 THR 26 -9.995 14.220 2.180 141 H GLY 27 H GLY 27 -5.319 14.168 0.651 142 HA2 GLY 27 1HA GLY 27 -3.608 15.436 -0.204 143 HA3 GLY 27 2HA GLY 27 -4.147 16.710 0.880 144 H VAL 28 H VAL 28 -3.222 13.674 2.242 145 HA VAL 28 HA VAL 28 -0.679 14.873 3.133 146 HB VAL 28 HB VAL 28 -2.480 13.003 4.679 147 HG11 VAL 28 1HG1 VAL 28 -0.501 14.158 6.322 148 HG12 VAL 28 2HG1 VAL 28 -0.694 12.460 5.881 149 HG13 VAL 28 3HG1 VAL 28 0.321 13.517 4.900 150 HG21 VAL 28 1HG2 VAL 28 -2.515 15.020 6.254 151 HG22 VAL 28 2HG2 VAL 28 -1.919 15.946 4.876 152 HG23 VAL 28 3HG2 VAL 28 -3.475 15.122 4.777 153 H SER 29 H SER 29 0.861 13.906 1.957 154 HA SER 29 HA SER 29 0.824 11.490 0.680 155 HB2 SER 29 1HB SER 29 3.314 11.529 0.823 156 HB3 SER 29 2HB SER 29 2.625 13.076 0.331 157 HG SER 29 HG SER 29 3.421 12.403 2.973 158 H SER 30 H SER 30 0.112 9.661 1.602 159 HA SER 30 HA SER 30 1.226 8.876 4.207 160 HB2 SER 30 1HB SER 30 -1.217 7.814 2.765 161 HB3 SER 30 2HB SER 30 -0.673 7.324 4.370 162 HG SER 30 HG SER 30 -2.370 9.090 4.072 163 H GLU 31 H GLU 31 2.265 6.937 4.484 164 HA GLU 31 HA GLU 31 2.486 5.090 2.247 165 HB2 GLU 31 1HB GLU 31 4.903 5.126 2.191 166 HB3 GLU 31 2HB GLU 31 4.292 6.746 1.891 167 HG2 GLU 31 1HG GLU 31 4.756 7.346 4.219 168 HG3 GLU 31 2HG GLU 31 5.396 5.727 4.498 169 H PHE 32 H PHE 32 3.974 3.196 2.921 170 HA PHE 32 HA PHE 32 4.096 2.683 5.760 171 HB2 PHE 32 1HB PHE 32 2.731 0.573 5.554 172 HB3 PHE 32 2HB PHE 32 1.807 2.068 5.438 173 HD1 PHE 32 1HD PHE 32 3.212 -0.742 3.513 174 HD2 PHE 32 2HD PHE 32 0.610 2.626 3.474 175 HE1 PHE 32 1HE PHE 32 2.279 -1.492 1.364 176 HE2 PHE 32 2HE PHE 32 -0.328 1.880 1.325 177 HZ PHE 32 HZ PHE 32 0.506 -0.181 0.267 178 H ILE 33 H ILE 33 5.211 0.689 6.267 179 HA ILE 33 HA ILE 33 7.019 -0.110 4.093 180 HB ILE 33 HB ILE 33 7.338 -0.113 7.083 181 HG12 ILE 33 1HG1 ILE 33 8.993 1.045 4.828 182 HG13 ILE 33 2HG1 ILE 33 7.892 1.950 5.862 183 HG21 ILE 33 1HG2 ILE 33 9.617 -1.155 6.559 184 HG22 ILE 33 2HG2 ILE 33 8.210 -2.217 6.561 185 HG23 ILE 33 3HG2 ILE 33 8.890 -1.657 5.033 186 HD11 ILE 33 1HD1 ILE 33 9.380 1.033 7.784 187 HD12 ILE 33 2HD1 ILE 33 10.558 0.786 6.495 188 HD13 ILE 33 3HD1 ILE 33 9.927 2.401 6.816 189 H VAL 34 H VAL 34 7.339 -2.235 3.561 190 HA VAL 34 HA VAL 34 5.484 -4.165 4.795 191 HB VAL 34 HB VAL 34 6.623 -4.200 1.997 192 HG11 VAL 34 1HG1 VAL 34 5.216 -6.192 3.620 193 HG12 VAL 34 2HG1 VAL 34 4.525 -5.934 2.017 194 HG13 VAL 34 3HG1 VAL 34 6.218 -6.399 2.184 195 HG21 VAL 34 1HG2 VAL 34 3.768 -4.072 2.123 196 HG22 VAL 34 2HG2 VAL 34 4.458 -2.744 3.056 197 HG23 VAL 34 3HG2 VAL 34 4.898 -2.952 1.361 198 H ASN 35 H ASN 35 6.679 -5.212 6.291 199 HA ASN 35 HA ASN 35 9.434 -5.832 5.982 200 HB2 ASN 35 1HB ASN 35 8.838 -5.723 8.211 201 HB3 ASN 35 2HB ASN 35 7.299 -6.539 7.949 202 HD21 ASN 35 1HD2 ASN 35 10.752 -6.978 8.271 203 HD22 ASN 35 2HD2 ASN 35 10.695 -8.655 8.683 204 H THR 36 H THR 36 9.907 -7.057 4.223 205 HA THR 36 HA THR 36 8.505 -9.627 3.923 206 HB THR 36 HB THR 36 9.538 -9.659 1.627 207 HG1 THR 36 1HG THR 36 11.045 -7.812 2.457 208 HG21 THR 36 1HG2 THR 36 8.009 -7.171 1.552 209 HG22 THR 36 2HG2 THR 36 7.246 -8.431 2.522 210 HG23 THR 36 3HG2 THR 36 7.651 -8.741 0.834 211 H LEU 37 H LEU 37 11.391 -8.256 4.984 212 HA LEU 37 HA LEU 37 13.423 -9.896 4.200 213 HB2 LEU 37 1HB LEU 37 12.930 -8.972 7.027 214 HB3 LEU 37 2HB LEU 37 14.478 -9.476 6.351 215 HG LEU 37 HG LEU 37 12.951 -7.097 5.318 216 HD11 LEU 37 1HD1 LEU 37 13.636 -7.058 7.822 217 HD12 LEU 37 2HD1 LEU 37 14.025 -5.682 6.791 218 HD13 LEU 37 3HD1 LEU 37 15.270 -6.865 7.187 219 HD21 LEU 37 1HD2 LEU 37 15.317 -6.474 4.628 220 HD22 LEU 37 2HD2 LEU 37 14.556 -7.801 3.749 221 HD23 LEU 37 3HD2 LEU 37 15.751 -8.142 5.001 222 H ASN 38 H ASN 38 11.472 -10.493 7.131 223 HA ASN 38 HA ASN 38 12.357 -12.907 7.918 224 HB2 ASN 38 1HB ASN 38 9.614 -11.726 7.857 225 HB3 ASN 38 2HB ASN 38 9.786 -13.414 8.331 226 HD21 ASN 38 1HD2 ASN 38 12.137 -10.885 8.929 227 HD22 ASN 38 2HD2 ASN 38 11.976 -10.883 10.649 228 H ALA 39 H ALA 39 10.157 -12.344 5.205 229 HA ALA 39 HA ALA 39 9.599 -15.012 4.574 230 HB1 ALA 39 1HB ALA 39 9.740 -13.469 2.178 231 HB2 ALA 39 2HB ALA 39 8.316 -14.026 3.057 232 HB3 ALA 39 3HB ALA 39 9.054 -12.476 3.464 233 H GLY 40 H GLY 40 11.959 -12.854 2.973 234 HA2 GLY 40 1HA GLY 40 14.267 -13.939 2.871 235 HA3 GLY 40 2HA GLY 40 13.412 -15.270 2.106 236 H SER 41 H SER 41 11.855 -14.303 0.266 237 HA SER 41 HA SER 41 12.803 -12.090 -1.212 238 HB2 SER 41 1HB SER 41 13.919 -13.207 -3.054 239 HB3 SER 41 2HB SER 41 14.738 -13.626 -1.550 240 HG SER 41 HG SER 41 14.428 -15.599 -2.206 241 H GLY 42 H GLY 42 11.663 -11.791 -3.213 242 HA2 GLY 42 1HA GLY 42 10.021 -13.297 -4.650 243 HA3 GLY 42 2HA GLY 42 9.077 -13.144 -3.176 244 H ALA 43 H ALA 43 7.962 -12.254 -5.455 245 HA ALA 43 HA ALA 43 8.482 -9.438 -5.831 246 HB1 ALA 43 1HB ALA 43 6.809 -11.492 -7.123 247 HB2 ALA 43 2HB ALA 43 6.186 -9.842 -7.176 248 HB3 ALA 43 3HB ALA 43 7.782 -10.204 -7.834 249 H LEU 44 H LEU 44 6.551 -7.912 -5.801 250 HA LEU 44 HA LEU 44 4.693 -8.492 -3.615 251 HB2 LEU 44 1HB LEU 44 6.375 -7.345 -2.447 252 HB3 LEU 44 2HB LEU 44 6.620 -6.197 -3.761 253 HG LEU 44 HG LEU 44 4.174 -5.466 -3.185 254 HD11 LEU 44 1HD1 LEU 44 3.413 -6.913 -1.585 255 HD12 LEU 44 2HD1 LEU 44 4.067 -5.630 -0.567 256 HD13 LEU 44 3HD1 LEU 44 5.000 -7.101 -0.839 257 HD21 LEU 44 1HD2 LEU 44 6.674 -4.487 -2.638 258 HD22 LEU 44 2HD2 LEU 44 5.920 -4.525 -1.044 259 HD23 LEU 44 3HD2 LEU 44 5.155 -3.635 -2.361 260 H SER 45 H SER 45 2.693 -7.629 -3.870 261 HA SER 45 HA SER 45 2.289 -5.874 -6.205 262 HB2 SER 45 1HB SER 45 1.425 -8.266 -6.401 263 HB3 SER 45 2HB SER 45 0.249 -7.839 -5.158 264 HG SER 45 HG SER 45 0.567 -6.372 -7.560 265 H VAL 46 H VAL 46 1.220 -4.019 -5.885 266 HA VAL 46 HA VAL 46 -0.247 -3.665 -3.357 267 HB VAL 46 HB VAL 46 1.582 -1.621 -4.624 268 HG11 VAL 46 1HG1 VAL 46 0.189 -0.195 -3.590 269 HG12 VAL 46 2HG1 VAL 46 -0.516 -1.458 -2.580 270 HG13 VAL 46 3HG1 VAL 46 1.018 -0.717 -2.125 271 HG21 VAL 46 1HG2 VAL 46 3.234 -2.392 -3.353 272 HG22 VAL 46 2HG2 VAL 46 2.216 -2.347 -1.913 273 HG23 VAL 46 3HG2 VAL 46 2.213 -3.773 -2.951 274 H THR 47 H THR 47 -2.216 -2.795 -3.554 275 HA THR 47 HA THR 47 -2.880 -1.186 -5.896 276 HB THR 47 HB THR 47 -5.015 -2.511 -6.206 277 HG1 THR 47 1HG THR 47 -3.572 -4.533 -4.813 278 HG21 THR 47 1HG2 THR 47 -4.034 -4.022 -7.733 279 HG22 THR 47 2HG2 THR 47 -2.557 -4.152 -6.778 280 HG23 THR 47 3HG2 THR 47 -2.918 -2.660 -7.646 281 H ILE 48 H ILE 48 -4.711 0.137 -5.625 282 HA ILE 48 HA ILE 48 -5.907 0.157 -2.941 283 HB ILE 48 HB ILE 48 -4.882 2.604 -4.387 284 HG12 ILE 48 1HG1 ILE 48 -3.966 1.597 -1.704 285 HG13 ILE 48 2HG1 ILE 48 -3.232 1.009 -3.191 286 HG21 ILE 48 1HG2 ILE 48 -5.569 3.113 -1.682 287 HG22 ILE 48 2HG2 ILE 48 -6.279 3.795 -3.144 288 HG23 ILE 48 3HG2 ILE 48 -6.938 2.313 -2.454 289 HD11 ILE 48 1HD1 ILE 48 -3.218 3.791 -2.080 290 HD12 ILE 48 2HD1 ILE 48 -1.849 2.742 -2.452 291 HD13 ILE 48 3HD1 ILE 48 -2.804 3.444 -3.758 292 H ASP 49 H ASP 49 -8.046 0.618 -2.869 293 HA ASP 49 HA ASP 49 -9.345 1.552 -5.335 294 HB2 ASP 49 1HB ASP 49 -9.462 -1.029 -4.773 295 HB3 ASP 49 2HB ASP 49 -10.721 -0.504 -3.659 296 H GLY 50 H GLY 50 -10.259 3.436 -4.856 297 HA2 GLY 50 1HA GLY 50 -11.900 3.607 -2.426 298 HA3 GLY 50 2HA GLY 50 -10.673 4.835 -2.705 299 HA PRO 51 HA PRO 51 -14.627 6.372 -4.539 300 HB2 PRO 51 1HB PRO 51 -14.342 8.902 -3.597 301 HB3 PRO 51 2HB PRO 51 -15.081 7.603 -2.653 302 HG2 PRO 51 1HG PRO 51 -12.292 8.684 -2.528 303 HG3 PRO 51 2HG PRO 51 -13.382 8.243 -1.200 304 HD2 PRO 51 1HD PRO 51 -11.384 6.622 -2.045 305 HD3 PRO 51 2HD PRO 51 -12.912 5.995 -1.395 306 H SER 52 H SER 52 -11.296 7.181 -4.738 307 HA SER 52 HA SER 52 -11.606 8.086 -7.452 308 HB2 SER 52 1HB SER 52 -10.738 9.985 -5.276 309 HB3 SER 52 2HB SER 52 -10.271 10.223 -6.960 310 HG SER 52 HG SER 52 -12.910 10.089 -5.923 311 H LYS 53 H LYS 53 -9.729 7.903 -8.645 312 HA LYS 53 HA LYS 53 -7.840 6.043 -7.900 313 HB2 LYS 53 1HB LYS 53 -7.979 8.137 -10.007 314 HB3 LYS 53 2HB LYS 53 -6.409 7.402 -9.707 315 HG2 LYS 53 1HG LYS 53 -7.222 6.034 -11.346 316 HG3 LYS 53 2HG LYS 53 -7.752 5.166 -9.903 317 HD2 LYS 53 1HD LYS 53 -9.708 5.179 -11.086 318 HD3 LYS 53 2HD LYS 53 -9.888 6.697 -10.204 319 HE2 LYS 53 1HE LYS 53 -8.610 6.606 -12.916 320 HE3 LYS 53 2HE LYS 53 -10.361 6.687 -12.732 321 HZ1 LYS 53 1HZ LYS 53 -9.992 8.703 -11.340 322 HZ2 LYS 53 2HZ LYS 53 -9.560 8.890 -12.964 323 HZ3 LYS 53 3HZ LYS 53 -8.362 8.664 -11.791 324 H VAL 54 H VAL 54 -5.650 6.165 -7.267 325 HA VAL 54 HA VAL 54 -4.880 8.694 -5.962 326 HB VAL 54 HB VAL 54 -3.776 7.385 -4.191 327 HG11 VAL 54 1HG1 VAL 54 -6.101 6.305 -3.377 328 HG12 VAL 54 2HG1 VAL 54 -5.756 8.035 -3.317 329 HG13 VAL 54 3HG1 VAL 54 -6.689 7.367 -4.656 330 HG21 VAL 54 1HG2 VAL 54 -3.289 5.259 -4.673 331 HG22 VAL 54 2HG2 VAL 54 -4.966 4.903 -4.260 332 HG23 VAL 54 3HG2 VAL 54 -4.512 5.178 -5.942 333 H GLN 55 H GLN 55 -2.605 9.082 -5.779 334 HA GLN 55 HA GLN 55 -1.095 7.824 -7.955 335 HB2 GLN 55 1HB GLN 55 -1.433 10.360 -7.787 336 HB3 GLN 55 2HB GLN 55 -0.293 10.305 -6.449 337 HG2 GLN 55 1HG GLN 55 1.242 9.077 -8.131 338 HG3 GLN 55 2HG GLN 55 0.169 9.766 -9.348 339 HE21 GLN 55 1HE2 GLN 55 1.321 11.333 -10.256 340 HE22 GLN 55 2HE2 GLN 55 2.097 12.624 -9.410 341 H LEU 56 H LEU 56 -0.422 5.944 -6.906 342 HA LEU 56 HA LEU 56 1.142 6.205 -4.459 343 HB2 LEU 56 1HB LEU 56 1.139 3.788 -4.408 344 HB3 LEU 56 2HB LEU 56 -0.498 4.401 -4.630 345 HG LEU 56 HG LEU 56 0.023 3.954 -7.169 346 HD11 LEU 56 1HD1 LEU 56 1.722 2.583 -7.694 347 HD12 LEU 56 2HD1 LEU 56 1.552 1.633 -6.218 348 HD13 LEU 56 3HD1 LEU 56 2.417 3.169 -6.182 349 HD21 LEU 56 1HD2 LEU 56 -0.448 1.355 -6.158 350 HD22 LEU 56 2HD2 LEU 56 -1.620 2.517 -6.780 351 HD23 LEU 56 3HD2 LEU 56 -1.223 2.499 -5.061 352 H ASP 57 H ASP 57 3.286 5.392 -4.275 353 HA ASP 57 HA ASP 57 4.733 5.011 -6.799 354 HB2 ASP 57 1HB ASP 57 4.824 7.425 -5.715 355 HB3 ASP 57 2HB ASP 57 6.021 6.664 -4.671 356 H CYS 58 H CYS 58 5.783 3.150 -6.698 357 HA CYS 58 HA CYS 58 6.357 1.925 -4.133 358 HB2 CYS 58 1HB CYS 58 7.006 -0.040 -5.464 359 HB3 CYS 58 2HB CYS 58 5.409 0.545 -5.914 360 HG CYS 58 HG CYS 58 6.059 1.515 -8.335 361 H ARG 59 H ARG 59 8.270 1.930 -3.148 362 HA ARG 59 HA ARG 59 10.677 2.528 -4.723 363 HB2 ARG 59 1HB ARG 59 10.497 4.599 -3.771 364 HB3 ARG 59 2HB ARG 59 9.589 4.004 -2.388 365 HG2 ARG 59 1HG ARG 59 11.614 3.134 -1.390 366 HG3 ARG 59 2HG ARG 59 12.547 3.624 -2.806 367 HD2 ARG 59 1HD ARG 59 12.232 5.917 -2.340 368 HD3 ARG 59 2HD ARG 59 10.964 5.580 -1.162 369 HE ARG 59 HE ARG 59 12.579 5.197 0.422 370 HH11 ARG 59 1HH1 ARG 59 14.045 5.259 -2.734 371 HH12 ARG 59 2HH1 ARG 59 15.667 5.245 -2.125 372 HH21 ARG 59 1HH2 ARG 59 14.709 5.179 1.238 373 HH22 ARG 59 2HH2 ARG 59 16.043 5.199 0.135 374 H GLU 60 H GLU 60 12.694 1.921 -3.606 375 HA GLU 60 HA GLU 60 12.329 -0.615 -2.227 376 HB2 GLU 60 1HB GLU 60 14.661 -1.015 -2.678 377 HB3 GLU 60 2HB GLU 60 13.898 -0.419 -4.146 378 HG2 GLU 60 1HG GLU 60 14.757 1.872 -3.493 379 HG3 GLU 60 2HG GLU 60 15.740 1.045 -2.286 380 H CYS 61 H CYS 61 12.823 -1.003 -0.142 381 HA CYS 61 HA CYS 61 14.131 1.139 1.393 382 HB2 CYS 61 1HB CYS 61 12.586 0.660 3.273 383 HB3 CYS 61 2HB CYS 61 11.754 1.285 1.853 384 HG CYS 61 HG CYS 61 10.455 -0.896 3.395 385 HA PRO 62 HA PRO 62 16.752 -1.988 3.012 386 HB2 PRO 62 1HB PRO 62 17.314 -0.959 5.461 387 HB3 PRO 62 2HB PRO 62 17.974 -0.291 3.964 388 HG2 PRO 62 1HG PRO 62 15.645 0.650 5.593 389 HG3 PRO 62 2HG PRO 62 16.932 1.600 4.827 390 HD2 PRO 62 1HD PRO 62 14.467 1.337 3.736 391 HD3 PRO 62 2HD PRO 62 15.934 1.510 2.751 392 H GLU 63 H GLU 63 13.657 -1.528 4.097 393 HA GLU 63 HA GLU 63 13.883 -3.677 6.100 394 HB2 GLU 63 1HB GLU 63 11.862 -1.452 5.827 395 HB3 GLU 63 2HB GLU 63 11.637 -2.827 6.899 396 HG2 GLU 63 1HG GLU 63 14.116 -1.178 7.094 397 HG3 GLU 63 2HG GLU 63 12.613 -0.609 7.819 398 H GLY 64 H GLY 64 12.988 -3.071 2.973 399 HA2 GLY 64 1HA GLY 64 12.192 -5.381 2.056 400 HA3 GLY 64 2HA GLY 64 10.754 -4.974 2.980 401 H HIS 65 H HIS 65 9.285 -3.563 2.151 402 HA HIS 65 HA HIS 65 9.967 -2.147 -0.324 403 HB2 HIS 65 1HB HIS 65 7.624 -4.016 0.050 404 HB3 HIS 65 2HB HIS 65 7.730 -2.848 -1.263 405 HD1 HIS 65 1HD HIS 65 8.892 -3.614 -3.323 406 HD2 HIS 65 2HD HIS 65 9.804 -5.986 -0.036 407 HE1 HIS 65 1HE HIS 65 10.265 -5.517 -4.228 408 HE2 HIS 65 2HE HIS 65 10.733 -6.984 -2.234 409 H VAL 66 H VAL 66 9.059 -0.165 -0.515 410 HA VAL 66 HA VAL 66 7.046 0.606 1.495 411 HB VAL 66 HB VAL 66 9.356 1.511 1.962 412 HG11 VAL 66 1HG1 VAL 66 9.134 3.681 0.062 413 HG12 VAL 66 2HG1 VAL 66 10.512 2.640 0.429 414 HG13 VAL 66 3HG1 VAL 66 9.302 2.123 -0.747 415 HG21 VAL 66 1HG2 VAL 66 8.442 3.328 2.947 416 HG22 VAL 66 2HG2 VAL 66 7.683 3.890 1.457 417 HG23 VAL 66 3HG2 VAL 66 6.934 2.598 2.395 418 H VAL 67 H VAL 67 5.464 2.063 0.855 419 HA VAL 67 HA VAL 67 5.468 2.932 -1.945 420 HB VAL 67 HB VAL 67 3.167 1.477 -0.634 421 HG11 VAL 67 1HG1 VAL 67 3.306 3.295 -2.909 422 HG12 VAL 67 2HG1 VAL 67 2.583 1.734 -3.305 423 HG13 VAL 67 3HG1 VAL 67 1.908 2.717 -2.004 424 HG21 VAL 67 1HG2 VAL 67 5.186 0.706 -2.704 425 HG22 VAL 67 2HG2 VAL 67 4.628 -0.198 -1.296 426 HG23 VAL 67 3HG2 VAL 67 3.582 -0.027 -2.705 427 H THR 68 H THR 68 4.809 4.972 -2.182 428 HA THR 68 HA THR 68 3.413 6.244 0.082 429 HB THR 68 HB THR 68 5.144 7.681 -1.929 430 HG1 THR 68 1HG THR 68 6.582 7.701 0.071 431 HG21 THR 68 1HG2 THR 68 5.199 9.395 -0.107 432 HG22 THR 68 2HG2 THR 68 3.997 8.437 0.757 433 HG23 THR 68 3HG2 THR 68 3.603 9.140 -0.811 434 H TYR 69 H TYR 69 1.505 7.196 -0.290 435 HA TYR 69 HA TYR 69 0.744 7.823 -3.054 436 HB2 TYR 69 1HB TYR 69 -1.349 6.729 -2.889 437 HB3 TYR 69 2HB TYR 69 -0.169 5.572 -2.283 438 HD1 TYR 69 1HD TYR 69 -2.911 7.836 -1.360 439 HD2 TYR 69 2HD TYR 69 -0.156 4.910 0.037 440 HE1 TYR 69 1HE TYR 69 -4.200 7.626 0.724 441 HE2 TYR 69 2HE TYR 69 -1.437 4.691 2.125 442 HH TYR 69 HH TYR 69 -3.088 5.560 3.371 443 H THR 70 H THR 70 -1.275 9.177 -3.124 444 HA THR 70 HA THR 70 -1.502 10.902 -0.749 445 HB THR 70 HB THR 70 -1.413 11.894 -3.605 446 HG1 THR 70 1HG THR 70 0.491 12.416 -1.567 447 HG21 THR 70 1HG2 THR 70 -0.993 13.984 -1.791 448 HG22 THR 70 2HG2 THR 70 -2.353 13.066 -1.143 449 HG23 THR 70 3HG2 THR 70 -2.423 13.706 -2.785 450 HA PRO 71 HA PRO 71 -5.795 9.893 -1.416 451 HB2 PRO 71 1HB PRO 71 -6.735 11.296 0.710 452 HB3 PRO 71 2HB PRO 71 -5.952 9.719 0.869 453 HG2 PRO 71 1HG PRO 71 -4.807 12.453 1.287 454 HG3 PRO 71 2HG PRO 71 -4.593 10.989 2.265 455 HD2 PRO 71 1HD PRO 71 -2.734 11.840 0.489 456 HD3 PRO 71 2HD PRO 71 -3.000 10.121 0.843 457 H MET 72 H MET 72 -7.058 10.854 -2.870 458 HA MET 72 HA MET 72 -6.890 13.742 -3.244 459 HB2 MET 72 1HB MET 72 -7.630 13.415 -5.395 460 HB3 MET 72 2HB MET 72 -6.840 11.872 -5.098 461 HG2 MET 72 1HG MET 72 -8.783 11.104 -5.956 462 HG3 MET 72 2HG MET 72 -9.266 11.218 -4.265 463 HE1 MET 72 1HE MET 72 -10.988 12.216 -7.760 464 HE2 MET 72 2HE MET 72 -10.292 13.837 -7.782 465 HE3 MET 72 3HE MET 72 -9.239 12.426 -7.671 466 H ALA 73 H ALA 73 -8.980 11.363 -1.912 467 HA ALA 73 HA ALA 73 -10.828 13.412 -1.052 468 HB1 ALA 73 1HB ALA 73 -11.438 12.118 -3.406 469 HB2 ALA 73 2HB ALA 73 -12.361 11.223 -2.198 470 HB3 ALA 73 3HB ALA 73 -12.578 12.965 -2.360 471 HA PRO 74 HA PRO 74 -11.003 10.789 2.474 472 HB2 PRO 74 1HB PRO 74 -13.345 11.633 3.559 473 HB3 PRO 74 2HB PRO 74 -11.865 12.598 3.599 474 HG2 PRO 74 1HG PRO 74 -14.208 12.800 1.747 475 HG3 PRO 74 2HG PRO 74 -13.297 14.096 2.543 476 HD2 PRO 74 1HD PRO 74 -12.895 13.411 -0.045 477 HD3 PRO 74 2HD PRO 74 -11.591 14.020 0.995 478 H GLY 75 H GLY 75 -11.503 8.696 2.582 479 HA2 GLY 75 1HA GLY 75 -14.125 7.679 2.459 480 HA3 GLY 75 2HA GLY 75 -13.351 7.425 0.902 481 H ASN 76 H ASN 76 -13.446 5.167 1.170 482 HA ASN 76 HA ASN 76 -11.546 4.111 3.160 483 HB2 ASN 76 1HB ASN 76 -13.690 2.388 1.981 484 HB3 ASN 76 2HB ASN 76 -12.888 2.261 3.544 485 HD21 ASN 76 1HD2 ASN 76 -15.769 2.615 2.408 486 HD22 ASN 76 2HD2 ASN 76 -16.454 3.774 3.491 487 H TYR 77 H TYR 77 -9.709 3.908 1.997 488 HA TYR 77 HA TYR 77 -9.793 2.798 -0.692 489 HB2 TYR 77 1HB TYR 77 -7.533 3.895 0.986 490 HB3 TYR 77 2HB TYR 77 -7.311 3.222 -0.625 491 HD1 TYR 77 2HD TYR 77 -8.146 4.403 -2.593 492 HD2 TYR 77 1HD TYR 77 -8.578 6.054 1.304 493 HE1 TYR 77 2HE TYR 77 -8.662 6.594 -3.585 494 HE2 TYR 77 1HE TYR 77 -9.096 8.249 0.324 495 HH TYR 77 HH TYR 77 -9.609 9.341 -1.578 496 H LEU 78 H LEU 78 -9.767 0.677 -0.974 497 HA LEU 78 HA LEU 78 -8.908 -1.111 1.116 498 HB2 LEU 78 1HB LEU 78 -10.865 -1.468 -0.460 499 HB3 LEU 78 2HB LEU 78 -9.670 -1.853 -1.696 500 HG LEU 78 HG LEU 78 -10.409 -3.926 -0.897 501 HD11 LEU 78 1HD1 LEU 78 -8.469 -4.931 -0.032 502 HD12 LEU 78 2HD1 LEU 78 -7.968 -3.453 0.789 503 HD13 LEU 78 3HD1 LEU 78 -7.901 -3.551 -0.971 504 HD21 LEU 78 1HD2 LEU 78 -10.210 -2.704 1.844 505 HD22 LEU 78 2HD2 LEU 78 -10.373 -4.440 1.581 506 HD23 LEU 78 3HD2 LEU 78 -11.640 -3.342 1.032 507 H ILE 79 H ILE 79 -6.793 -1.375 1.433 508 HA ILE 79 HA ILE 79 -4.959 -1.344 -0.838 509 HB ILE 79 HB ILE 79 -4.416 -1.435 2.131 510 HG12 ILE 79 1HG1 ILE 79 -3.931 0.788 0.140 511 HG13 ILE 79 2HG1 ILE 79 -5.343 0.701 1.187 512 HG21 ILE 79 1HG2 ILE 79 -2.311 -1.986 1.699 513 HG22 ILE 79 2HG2 ILE 79 -2.750 -2.221 0.007 514 HG23 ILE 79 3HG2 ILE 79 -2.161 -0.651 0.555 515 HD11 ILE 79 1HD1 ILE 79 -4.214 1.724 2.782 516 HD12 ILE 79 2HD1 ILE 79 -3.038 0.409 2.806 517 HD13 ILE 79 3HD1 ILE 79 -2.794 1.792 1.739 518 H ALA 80 H ALA 80 -4.847 -3.240 -1.874 519 HA ALA 80 HA ALA 80 -4.835 -5.725 -0.318 520 HB1 ALA 80 1HB ALA 80 -5.429 -5.078 -3.175 521 HB2 ALA 80 2HB ALA 80 -4.973 -6.718 -2.713 522 HB3 ALA 80 3HB ALA 80 -6.400 -5.967 -2.001 523 H ILE 81 H ILE 81 -2.866 -6.323 0.320 524 HA ILE 81 HA ILE 81 -0.601 -5.922 -1.513 525 HB ILE 81 HB ILE 81 -0.608 -6.403 1.469 526 HG12 ILE 81 1HG1 ILE 81 0.422 -3.970 0.031 527 HG13 ILE 81 2HG1 ILE 81 -1.276 -4.110 0.470 528 HG21 ILE 81 1HG2 ILE 81 1.311 -7.464 0.370 529 HG22 ILE 81 2HG2 ILE 81 1.724 -5.924 -0.381 530 HG23 ILE 81 3HG2 ILE 81 1.802 -6.098 1.372 531 HD11 ILE 81 1HD1 ILE 81 1.116 -3.910 2.250 532 HD12 ILE 81 2HD1 ILE 81 -0.342 -2.918 2.223 533 HD13 ILE 81 3HD1 ILE 81 -0.409 -4.568 2.840 534 H LYS 82 H LYS 82 0.644 -7.608 -2.178 535 HA LYS 82 HA LYS 82 0.046 -10.281 -1.125 536 HB2 LYS 82 1HB LYS 82 0.159 -9.552 -4.057 537 HB3 LYS 82 2HB LYS 82 0.045 -11.190 -3.427 538 HG2 LYS 82 1HG LYS 82 -2.091 -10.310 -2.245 539 HG3 LYS 82 2HG LYS 82 -2.011 -9.026 -3.454 540 HD2 LYS 82 1HD LYS 82 -1.935 -10.778 -5.220 541 HD3 LYS 82 2HD LYS 82 -2.179 -11.995 -3.965 542 HE2 LYS 82 1HE LYS 82 -4.338 -11.200 -3.471 543 HE3 LYS 82 2HE LYS 82 -4.070 -9.691 -4.343 544 HZ1 LYS 82 1HZ LYS 82 -3.725 -11.907 -6.071 545 HZ2 LYS 82 2HZ LYS 82 -4.812 -10.617 -6.197 546 HZ3 LYS 82 3HZ LYS 82 -5.236 -11.997 -5.316 547 H TYR 83 H TYR 83 1.689 -11.908 -1.842 548 HA TYR 83 HA TYR 83 4.224 -10.973 -2.790 549 HB2 TYR 83 1HB TYR 83 4.116 -10.251 -0.337 550 HB3 TYR 83 2HB TYR 83 4.194 -11.965 0.057 551 HD1 TYR 83 2HD TYR 83 6.033 -9.148 -1.452 552 HD2 TYR 83 1HD TYR 83 6.244 -13.181 -0.115 553 HE1 TYR 83 2HE TYR 83 8.486 -9.066 -1.611 554 HE2 TYR 83 1HE TYR 83 8.698 -13.110 -0.269 555 HH TYR 83 HH TYR 83 10.384 -10.189 -1.388 556 H GLY 84 H GLY 84 5.407 -12.617 -3.618 557 HA2 GLY 84 1HA GLY 84 5.584 -14.735 -4.565 558 HA3 GLY 84 2HA GLY 84 5.825 -15.149 -2.874 559 H GLY 85 H GLY 85 3.037 -14.324 -4.951 560 HA2 GLY 85 1HA GLY 85 1.737 -16.609 -5.283 561 HA3 GLY 85 2HA GLY 85 1.458 -16.351 -3.567 562 HA PRO 86 HA PRO 86 -1.434 -13.807 -6.467 563 HB2 PRO 86 1HB PRO 86 -3.447 -15.576 -6.904 564 HB3 PRO 86 2HB PRO 86 -2.068 -15.400 -7.996 565 HG2 PRO 86 1HG PRO 86 -2.547 -17.446 -5.864 566 HG3 PRO 86 2HG PRO 86 -1.909 -17.667 -7.504 567 HD2 PRO 86 1HD PRO 86 -0.312 -17.578 -5.319 568 HD3 PRO 86 2HD PRO 86 0.210 -16.981 -6.908 569 H GLN 87 H GLN 87 -1.571 -15.703 -3.646 570 HA GLN 87 HA GLN 87 -4.172 -14.756 -2.789 571 HB2 GLN 87 1HB GLN 87 -2.099 -16.592 -1.664 572 HB3 GLN 87 2HB GLN 87 -3.293 -15.892 -0.579 573 HG2 GLN 87 1HG GLN 87 -4.207 -17.222 -3.082 574 HG3 GLN 87 2HG GLN 87 -3.703 -18.208 -1.710 575 HE21 GLN 87 1HE2 GLN 87 -5.378 -18.877 -0.594 576 HE22 GLN 87 2HE2 GLN 87 -6.802 -17.966 -0.238 577 H HIS 88 H HIS 88 -4.251 -13.869 -0.451 578 HA HIS 88 HA HIS 88 -2.575 -11.493 -0.416 579 HB2 HIS 88 1HB HIS 88 -5.004 -12.311 1.179 580 HB3 HIS 88 2HB HIS 88 -4.109 -10.826 1.485 581 HD1 HIS 88 1HD HIS 88 -5.270 -8.904 0.477 582 HD2 HIS 88 2HD HIS 88 -5.661 -12.322 -1.853 583 HE1 HIS 88 1HE HIS 88 -6.625 -8.203 -1.522 584 HE2 HIS 88 2HE HIS 88 -6.922 -10.307 -2.875 585 H ILE 89 H ILE 89 -1.407 -10.804 1.440 586 HA ILE 89 HA ILE 89 -0.139 -12.997 2.836 587 HB ILE 89 HB ILE 89 1.378 -11.305 3.741 588 HG12 ILE 89 1HG1 ILE 89 0.045 -9.189 2.094 589 HG13 ILE 89 2HG1 ILE 89 -0.583 -9.548 3.699 590 HG21 ILE 89 1HG2 ILE 89 1.199 -12.142 1.139 591 HG22 ILE 89 2HG2 ILE 89 1.343 -10.394 0.970 592 HG23 ILE 89 3HG2 ILE 89 2.574 -11.298 1.851 593 HD11 ILE 89 1HD1 ILE 89 2.137 -9.304 4.096 594 HD12 ILE 89 2HD1 ILE 89 1.759 -8.047 2.918 595 HD13 ILE 89 3HD1 ILE 89 0.906 -8.095 4.460 596 H VAL 90 H VAL 90 0.121 -13.069 5.144 597 HA VAL 90 HA VAL 90 -2.161 -13.051 6.628 598 HB VAL 90 HB VAL 90 -0.270 -14.131 7.549 599 HG11 VAL 90 1HG1 VAL 90 1.790 -13.340 7.322 600 HG12 VAL 90 2HG1 VAL 90 1.128 -11.850 6.646 601 HG13 VAL 90 3HG1 VAL 90 1.412 -11.983 8.382 602 HG21 VAL 90 1HG2 VAL 90 -0.534 -11.762 9.368 603 HG22 VAL 90 2HG2 VAL 90 -1.880 -12.872 9.114 604 HG23 VAL 90 3HG2 VAL 90 -0.362 -13.468 9.784 605 H GLY 91 H GLY 91 -3.543 -11.484 7.115 606 HA2 GLY 91 1HA GLY 91 -3.913 -9.506 8.504 607 HA3 GLY 91 2HA GLY 91 -2.448 -8.829 7.808 608 H SER 92 H SER 92 -2.848 -9.365 5.120 609 HA SER 92 HA SER 92 -4.563 -7.229 4.396 610 HB2 SER 92 1HB SER 92 -2.966 -9.263 2.883 611 HB3 SER 92 2HB SER 92 -4.141 -8.271 2.021 612 HG SER 92 HG SER 92 -1.687 -7.610 2.918 613 HA PRO 93 HA PRO 93 -5.489 -6.818 2.172 614 HB2 PRO 93 1HB PRO 93 -7.878 -5.543 1.984 615 HB3 PRO 93 2HB PRO 93 -7.373 -6.808 0.857 616 HG2 PRO 93 1HG PRO 93 -9.189 -6.999 3.230 617 HG3 PRO 93 2HG PRO 93 -9.373 -7.718 1.619 618 HD2 PRO 93 1HD PRO 93 -8.483 -9.129 3.753 619 HD3 PRO 93 2HD PRO 93 -7.938 -9.458 2.095 620 H PHE 94 H PHE 94 -5.838 -4.411 2.644 621 HA PHE 94 HA PHE 94 -6.149 -4.007 5.546 622 HB2 PHE 94 1HB PHE 94 -4.081 -2.907 3.654 623 HB3 PHE 94 2HB PHE 94 -4.438 -2.118 5.186 624 HD1 PHE 94 2HD PHE 94 -3.988 -3.287 7.312 625 HD2 PHE 94 1HD PHE 94 -2.811 -4.908 3.557 626 HE1 PHE 94 2HE PHE 94 -2.441 -4.817 8.461 627 HE2 PHE 94 1HE PHE 94 -1.263 -6.441 4.700 628 HZ PHE 94 HZ PHE 94 -1.075 -6.396 7.155 629 H LYS 95 H LYS 95 -7.729 -2.659 6.060 630 HA LYS 95 HA LYS 95 -8.946 -0.999 4.014 631 HB2 LYS 95 1HB LYS 95 -10.301 -2.364 5.617 632 HB3 LYS 95 2HB LYS 95 -9.737 -1.319 6.914 633 HG2 LYS 95 1HG LYS 95 -11.832 -0.473 6.375 634 HG3 LYS 95 2HG LYS 95 -10.713 0.605 5.538 635 HD2 LYS 95 1HD LYS 95 -12.391 0.133 3.963 636 HD3 LYS 95 2HD LYS 95 -11.038 -0.906 3.509 637 HE2 LYS 95 1HE LYS 95 -12.732 -2.431 3.419 638 HE3 LYS 95 2HE LYS 95 -12.274 -2.606 5.112 639 HZ1 LYS 95 1HZ LYS 95 -14.729 -1.680 3.987 640 HZ2 LYS 95 2HZ LYS 95 -14.102 -0.576 5.104 641 HZ3 LYS 95 3HZ LYS 95 -14.391 -2.177 5.569 642 H ALA 96 H ALA 96 -8.343 1.026 3.672 643 HA ALA 96 HA ALA 96 -7.064 2.509 5.872 644 HB1 ALA 96 1HB ALA 96 -5.522 3.246 4.442 645 HB2 ALA 96 2HB ALA 96 -6.121 2.021 3.324 646 HB3 ALA 96 3HB ALA 96 -6.732 3.672 3.232 647 H LYS 97 H LYS 97 -8.225 4.075 6.758 648 HA LYS 97 HA LYS 97 -10.381 5.304 5.172 649 HB2 LYS 97 1HB LYS 97 -11.275 4.134 7.076 650 HB3 LYS 97 2HB LYS 97 -10.117 4.902 8.154 651 HG2 LYS 97 1HG LYS 97 -11.179 7.029 7.885 652 HG3 LYS 97 2HG LYS 97 -12.238 6.392 6.624 653 HD2 LYS 97 1HD LYS 97 -13.639 6.317 8.444 654 HD3 LYS 97 2HD LYS 97 -12.938 4.699 8.501 655 HE2 LYS 97 1HE LYS 97 -11.248 5.562 10.114 656 HE3 LYS 97 2HE LYS 97 -12.110 7.100 10.128 657 HZ1 LYS 97 1HZ LYS 97 -13.623 4.657 10.696 658 HZ2 LYS 97 2HZ LYS 97 -13.845 6.225 11.290 659 HZ3 LYS 97 3HZ LYS 97 -12.600 5.257 11.902 660 H VAL 98 H VAL 98 -9.691 7.183 4.368 661 HA VAL 98 HA VAL 98 -7.922 8.876 5.976 662 HB VAL 98 HB VAL 98 -8.720 9.133 3.073 663 HG11 VAL 98 1HG1 VAL 98 -7.930 11.170 4.623 664 HG12 VAL 98 2HG1 VAL 98 -6.353 10.533 4.155 665 HG13 VAL 98 3HG1 VAL 98 -7.505 11.036 2.917 666 HG21 VAL 98 1HG2 VAL 98 -7.177 7.193 3.957 667 HG22 VAL 98 2HG2 VAL 98 -6.782 8.062 2.474 668 HG23 VAL 98 3HG2 VAL 98 -5.961 8.470 3.980 669 H THR 99 H THR 99 -8.536 10.794 6.798 670 HA THR 99 HA THR 99 -11.301 11.662 6.268 671 HB THR 99 HB THR 99 -11.089 11.051 8.571 672 HG1 THR 99 1HG THR 99 -10.861 13.888 8.392 673 HG21 THR 99 1HG2 THR 99 -8.782 11.024 9.001 674 HG22 THR 99 2HG2 THR 99 -9.394 12.339 10.004 675 HG23 THR 99 3HG2 THR 99 -8.576 12.696 8.483 676 H GLY 100 H GLY 100 -11.706 13.998 6.395 677 HA2 GLY 100 1HA GLY 100 -10.683 16.240 6.462 678 HA3 GLY 100 2HA GLY 100 -9.348 15.563 5.541 679 HA PRO 101 HA PRO 101 -12.799 17.396 2.806 680 HB2 PRO 101 1HB PRO 101 -11.602 19.744 2.152 681 HB3 PRO 101 2HB PRO 101 -12.686 19.571 3.538 682 HG2 PRO 101 1HG PRO 101 -9.693 19.578 3.463 683 HG3 PRO 101 2HG PRO 101 -10.785 20.379 4.607 684 HD2 PRO 101 1HD PRO 101 -9.524 18.053 5.181 685 HD3 PRO 101 2HD PRO 101 -11.132 18.450 5.820 686 H ARG 102 H ARG 102 -12.723 17.095 0.631 687 HA ARG 102 HA ARG 102 -10.780 15.670 -0.617 688 HB2 ARG 102 1HB ARG 102 -13.119 16.408 -1.456 689 HB3 ARG 102 2HB ARG 102 -12.268 17.779 -2.154 690 HG2 ARG 102 1HG ARG 102 -10.848 16.237 -3.426 691 HG3 ARG 102 2HG ARG 102 -11.738 14.874 -2.744 692 HD2 ARG 102 1HD ARG 102 -12.589 15.357 -4.945 693 HD3 ARG 102 2HD ARG 102 -13.810 15.779 -3.745 694 HE ARG 102 HE ARG 102 -12.256 18.048 -4.345 695 HH11 ARG 102 1HH1 ARG 102 -14.677 15.981 -5.753 696 HH12 ARG 102 2HH1 ARG 102 -15.328 17.220 -6.774 697 HH21 ARG 102 1HH2 ARG 102 -13.105 19.688 -5.684 698 HH22 ARG 102 2HH2 ARG 102 -14.433 19.328 -6.734 699 H LEU 103 H LEU 103 -8.760 16.007 -1.270 700 HA LEU 103 HA LEU 103 -7.894 18.740 -1.893 701 HB2 LEU 103 1HB LEU 103 -6.577 16.814 0.001 702 HB3 LEU 103 2HB LEU 103 -5.705 18.155 -0.739 703 HG LEU 103 HG LEU 103 -8.204 18.681 0.818 704 HD11 LEU 103 1HD1 LEU 103 -6.350 17.217 2.027 705 HD12 LEU 103 2HD1 LEU 103 -7.222 18.505 2.858 706 HD13 LEU 103 3HD1 LEU 103 -5.601 18.801 2.229 707 HD21 LEU 103 1HD2 LEU 103 -7.196 20.481 -0.494 708 HD22 LEU 103 2HD2 LEU 103 -5.669 20.250 0.358 709 HD23 LEU 103 3HD2 LEU 103 -7.093 20.810 1.235 710 H SER 104 H SER 104 -7.425 18.601 -3.994 711 HA SER 104 HA SER 104 -5.530 16.527 -4.843 712 HB2 SER 104 1HB SER 104 -7.918 15.952 -5.502 713 HB3 SER 104 2HB SER 104 -7.872 17.364 -6.557 714 HG SER 104 HG SER 104 -7.158 15.837 -7.878 715 H GLY 105 H GLY 105 -3.763 17.552 -5.497 716 HA2 GLY 105 1HA GLY 105 -3.960 20.269 -6.545 717 HA3 GLY 105 2HA GLY 105 -2.483 19.434 -6.088 718 H SER 106 H SER 106 -2.048 20.637 -8.266 719 HA SER 106 HA SER 106 -3.002 19.412 -10.653 720 HB2 SER 106 1HB SER 106 -1.994 21.771 -10.348 721 HB3 SER 106 2HB SER 106 -0.429 20.966 -10.460 722 HG SER 106 HG SER 106 -0.929 21.510 -12.516 723 H GLY 107 H GLY 107 -1.371 18.510 -12.290 724 HA2 GLY 107 1HA GLY 107 0.739 16.911 -11.054 725 HA3 GLY 107 2HA GLY 107 -0.578 16.032 -11.815 726 HA PRO 108 HA PRO 108 2.664 16.633 -15.033 727 HB2 PRO 108 1HB PRO 108 2.378 14.151 -16.095 728 HB3 PRO 108 2HB PRO 108 3.423 14.489 -14.710 729 HG2 PRO 108 1HG PRO 108 0.651 13.360 -14.761 730 HG3 PRO 108 2HG PRO 108 2.047 12.855 -13.791 731 HD2 PRO 108 1HD PRO 108 0.060 14.400 -12.791 732 HD3 PRO 108 2HD PRO 108 1.745 14.542 -12.249 733 H SER 109 H SER 109 1.526 18.083 -16.287 734 HA SER 109 HA SER 109 -0.962 17.658 -17.481 735 HB2 SER 109 1HB SER 109 0.395 19.843 -17.249 736 HB3 SER 109 2HB SER 109 1.179 19.355 -18.751 737 HG SER 109 HG SER 109 -0.734 20.731 -18.961 738 H SER 110 H SER 110 -1.486 17.316 -19.734 739 HA SER 110 HA SER 110 -0.454 14.979 -20.796 740 HB2 SER 110 1HB SER 110 -1.927 17.237 -22.165 741 HB3 SER 110 2HB SER 110 -1.591 15.685 -22.932 742 HG SER 110 HG SER 110 -2.653 14.910 -20.801 743 H GLY 111 H GLY 111 0.135 18.294 -21.988 744 HA2 GLY 111 1HA GLY 111 2.035 17.615 -23.924 745 HA3 GLY 111 2HA GLY 111 1.897 19.188 -23.153 Start of MODEL 11 1 H1 GLY 1 H GLY 1 0.799 -17.757 -23.157 2 HA2 GLY 1 1HA GLY 1 2.397 -16.081 -23.706 3 HA3 GLY 1 2HA GLY 1 1.253 -15.265 -22.650 4 H SER 2 H SER 2 4.472 -16.359 -23.048 5 HA SER 2 HA SER 2 6.332 -16.306 -21.715 6 HB2 SER 2 1HB SER 2 4.896 -13.726 -21.306 7 HB3 SER 2 2HB SER 2 6.270 -14.072 -20.256 8 HG SER 2 HG SER 2 6.532 -14.447 -23.023 9 H SER 3 H SER 3 4.346 -17.952 -20.640 10 HA SER 3 HA SER 3 3.994 -17.364 -17.847 11 HB2 SER 3 1HB SER 3 2.282 -18.644 -18.993 12 HB3 SER 3 2HB SER 3 3.459 -19.874 -19.453 13 HG SER 3 HG SER 3 2.186 -19.450 -17.035 14 H GLY 4 H GLY 4 5.300 -17.875 -16.210 15 HA2 GLY 4 1HA GLY 4 6.890 -20.173 -16.021 16 HA3 GLY 4 2HA GLY 4 7.899 -18.875 -16.643 17 H SER 5 H SER 5 5.654 -19.634 -13.995 18 HA SER 5 HA SER 5 7.455 -18.795 -11.990 19 HB2 SER 5 1HB SER 5 6.868 -16.554 -12.887 20 HB3 SER 5 2HB SER 5 5.174 -16.874 -12.516 21 HG SER 5 HG SER 5 5.901 -17.174 -10.294 22 H SER 6 H SER 6 6.901 -19.780 -10.152 23 HA SER 6 HA SER 6 4.181 -20.877 -9.954 24 HB2 SER 6 1HB SER 6 6.812 -21.760 -8.766 25 HB3 SER 6 2HB SER 6 5.264 -22.407 -8.221 26 HG SER 6 HG SER 6 4.889 -23.098 -10.370 27 H GLY 7 H GLY 7 6.709 -19.287 -8.030 28 HA2 GLY 7 1HA GLY 7 6.125 -17.453 -6.574 29 HA3 GLY 7 2HA GLY 7 4.574 -18.229 -6.294 30 H ALA 8 H ALA 8 8.059 -18.709 -5.796 31 HA ALA 8 HA ALA 8 7.509 -20.482 -3.547 32 HB1 ALA 8 1HB ALA 8 9.854 -20.979 -3.552 33 HB2 ALA 8 2HB ALA 8 9.267 -21.044 -5.214 34 HB3 ALA 8 3HB ALA 8 10.182 -19.644 -4.656 35 H GLY 9 H GLY 9 7.140 -19.593 -1.625 36 HA2 GLY 9 1HA GLY 9 8.956 -18.040 -0.222 37 HA3 GLY 9 2HA GLY 9 7.837 -16.914 -0.977 38 H ASP 10 H ASP 10 7.964 -16.898 1.703 39 HA ASP 10 HA ASP 10 5.516 -18.317 2.531 40 HB2 ASP 10 1HB ASP 10 7.524 -17.381 4.540 41 HB3 ASP 10 2HB ASP 10 6.391 -18.727 4.634 42 HA PRO 11 HA PRO 11 4.346 -13.921 2.681 43 HB2 PRO 11 1HB PRO 11 1.689 -14.410 2.409 44 HB3 PRO 11 2HB PRO 11 2.798 -14.340 1.035 45 HG2 PRO 11 1HG PRO 11 1.718 -16.730 2.477 46 HG3 PRO 11 2HG PRO 11 1.914 -16.470 0.734 47 HD2 PRO 11 1HD PRO 11 3.663 -17.933 2.194 48 HD3 PRO 11 2HD PRO 11 4.162 -16.977 0.784 49 H GLY 12 H GLY 12 3.278 -16.690 4.526 50 HA2 GLY 12 1HA GLY 12 1.640 -15.439 6.414 51 HA3 GLY 12 2HA GLY 12 2.570 -16.903 6.698 52 H LEU 13 H LEU 13 5.059 -15.280 6.009 53 HA LEU 13 HA LEU 13 5.409 -14.186 8.707 54 HB2 LEU 13 1HB LEU 13 7.611 -14.675 6.734 55 HB3 LEU 13 2HB LEU 13 7.705 -14.579 8.491 56 HG LEU 13 HG LEU 13 6.625 -16.850 6.832 57 HD11 LEU 13 1HD1 LEU 13 8.400 -18.017 8.337 58 HD12 LEU 13 2HD1 LEU 13 9.060 -16.390 8.495 59 HD13 LEU 13 3HD1 LEU 13 8.909 -17.128 6.901 60 HD21 LEU 13 1HD2 LEU 13 6.643 -16.594 9.836 61 HD22 LEU 13 2HD2 LEU 13 6.075 -17.973 8.893 62 HD23 LEU 13 3HD2 LEU 13 5.211 -16.436 8.819 63 H VAL 14 H VAL 14 4.463 -13.027 5.873 64 HA VAL 14 HA VAL 14 6.157 -10.639 5.872 65 HB VAL 14 HB VAL 14 4.051 -11.576 3.921 66 HG11 VAL 14 1HG1 VAL 14 5.325 -8.960 4.297 67 HG12 VAL 14 2HG1 VAL 14 5.393 -9.585 2.648 68 HG13 VAL 14 3HG1 VAL 14 3.837 -9.389 3.454 69 HG21 VAL 14 1HG2 VAL 14 7.057 -11.425 3.791 70 HG22 VAL 14 2HG2 VAL 14 6.048 -12.870 3.719 71 HG23 VAL 14 3HG2 VAL 14 6.028 -11.712 2.388 72 H SER 15 H SER 15 5.480 -8.703 6.572 73 HA SER 15 HA SER 15 2.622 -8.263 7.037 74 HB2 SER 15 1HB SER 15 3.900 -9.074 9.147 75 HB3 SER 15 2HB SER 15 4.608 -7.459 9.149 76 HG SER 15 HG SER 15 1.848 -8.112 9.273 77 H ALA 16 H ALA 16 2.143 -5.952 7.516 78 HA ALA 16 HA ALA 16 4.148 -4.115 6.405 79 HB1 ALA 16 1HB ALA 16 2.467 -3.013 5.040 80 HB2 ALA 16 2HB ALA 16 2.595 -4.718 4.604 81 HB3 ALA 16 3HB ALA 16 1.245 -4.159 5.591 82 H TYR 17 H TYR 17 4.210 -2.113 7.324 83 HA TYR 17 HA TYR 17 2.124 -1.418 9.269 84 HB2 TYR 17 1HB TYR 17 3.843 -0.701 10.883 85 HB3 TYR 17 2HB TYR 17 3.943 -2.426 10.547 86 HD1 TYR 17 1HD TYR 17 5.483 0.849 9.713 87 HD2 TYR 17 2HD TYR 17 5.940 -3.381 9.761 88 HE1 TYR 17 1HE TYR 17 7.860 1.105 9.138 89 HE2 TYR 17 2HE TYR 17 8.319 -3.136 9.187 90 HH TYR 17 HH TYR 17 10.069 -0.684 9.602 91 H GLY 18 H GLY 18 1.673 0.744 9.447 92 HA2 GLY 18 1HA GLY 18 3.059 2.975 8.978 93 HA3 GLY 18 2HA GLY 18 2.756 2.429 7.336 94 HA PRO 19 HA PRO 19 -0.889 4.852 9.265 95 HB2 PRO 19 1HB PRO 19 -0.420 7.293 8.174 96 HB3 PRO 19 2HB PRO 19 0.199 6.814 9.759 97 HG2 PRO 19 1HG PRO 19 1.599 6.857 7.113 98 HG3 PRO 19 2HG PRO 19 2.191 7.380 8.700 99 HD2 PRO 19 1HD PRO 19 2.858 4.993 7.611 100 HD3 PRO 19 2HD PRO 19 2.691 5.230 9.363 101 H GLY 20 H GLY 20 0.521 4.177 6.248 102 HA2 GLY 20 1HA GLY 20 -1.546 5.302 4.595 103 HA3 GLY 20 2HA GLY 20 -0.279 4.200 4.077 104 H LEU 21 H LEU 21 -1.059 2.286 6.249 105 HA LEU 21 HA LEU 21 -3.063 0.883 4.706 106 HB2 LEU 21 1HB LEU 21 -1.855 -0.002 7.311 107 HB3 LEU 21 2HB LEU 21 -2.580 -1.000 6.052 108 HG LEU 21 HG LEU 21 -0.108 0.570 5.452 109 HD11 LEU 21 1HD1 LEU 21 0.319 -0.620 7.572 110 HD12 LEU 21 2HD1 LEU 21 1.284 -1.238 6.232 111 HD13 LEU 21 3HD1 LEU 21 -0.130 -2.134 6.786 112 HD21 LEU 21 1HD2 LEU 21 0.219 -1.665 4.142 113 HD22 LEU 21 2HD2 LEU 21 -0.884 -0.432 3.532 114 HD23 LEU 21 3HD2 LEU 21 -1.518 -1.837 4.391 115 H GLU 22 H GLU 22 -2.756 2.204 7.986 116 HA GLU 22 HA GLU 22 -5.459 1.507 8.683 117 HB2 GLU 22 1HB GLU 22 -3.201 2.922 10.025 118 HB3 GLU 22 2HB GLU 22 -4.828 3.184 10.636 119 HG2 GLU 22 1HG GLU 22 -3.470 0.514 10.347 120 HG3 GLU 22 2HG GLU 22 -3.676 1.412 11.849 121 H GLY 23 H GLY 23 -3.912 4.124 7.105 122 HA2 GLY 23 1HA GLY 23 -5.331 5.646 5.847 123 HA3 GLY 23 2HA GLY 23 -6.441 5.643 7.209 124 H GLY 24 H GLY 24 -5.779 8.045 6.290 125 HA2 GLY 24 1HA GLY 24 -4.304 9.172 8.516 126 HA3 GLY 24 2HA GLY 24 -3.552 9.405 6.945 127 H THR 25 H THR 25 -3.950 11.331 6.114 128 HA THR 25 HA THR 25 -6.653 12.453 6.373 129 HB THR 25 HB THR 25 -4.066 13.874 6.991 130 HG1 THR 25 1HG THR 25 -4.953 13.052 8.825 131 HG21 THR 25 1HG2 THR 25 -6.752 15.018 6.262 132 HG22 THR 25 2HG2 THR 25 -5.170 15.420 5.593 133 HG23 THR 25 3HG2 THR 25 -5.584 15.910 7.236 134 H THR 26 H THR 26 -7.240 13.950 4.725 135 HA THR 26 HA THR 26 -6.306 13.256 2.153 136 HB THR 26 HB THR 26 -7.674 15.296 1.425 137 HG1 THR 26 1HG THR 26 -7.739 16.511 3.276 138 HG21 THR 26 1HG2 THR 26 -9.484 13.629 3.049 139 HG22 THR 26 2HG2 THR 26 -8.399 12.747 1.975 140 HG23 THR 26 3HG2 THR 26 -9.495 13.961 1.318 141 H GLY 27 H GLY 27 -5.134 14.449 0.627 142 HA2 GLY 27 1HA GLY 27 -3.572 15.955 -0.142 143 HA3 GLY 27 2HA GLY 27 -4.019 17.010 1.190 144 H VAL 28 H VAL 28 -3.237 14.023 2.422 145 HA VAL 28 HA VAL 28 -0.492 14.917 3.010 146 HB VAL 28 HB VAL 28 -2.406 13.271 4.659 147 HG11 VAL 28 1HG1 VAL 28 0.537 13.759 5.084 148 HG12 VAL 28 2HG1 VAL 28 -0.557 13.148 6.327 149 HG13 VAL 28 3HG1 VAL 28 -0.269 12.207 4.863 150 HG21 VAL 28 1HG2 VAL 28 -0.933 15.666 5.638 151 HG22 VAL 28 2HG2 VAL 28 -2.311 15.901 4.563 152 HG23 VAL 28 3HG2 VAL 28 -2.523 15.054 6.095 153 H SER 29 H SER 29 1.081 13.762 2.131 154 HA SER 29 HA SER 29 0.649 11.416 0.640 155 HB2 SER 29 1HB SER 29 3.089 12.859 1.617 156 HB3 SER 29 2HB SER 29 3.257 11.268 0.876 157 HG SER 29 HG SER 29 1.706 13.198 -0.428 158 H SER 30 H SER 30 -0.077 9.609 1.579 159 HA SER 30 HA SER 30 1.049 8.770 4.148 160 HB2 SER 30 1HB SER 30 -1.315 7.664 2.613 161 HB3 SER 30 2HB SER 30 -0.813 7.170 4.229 162 HG SER 30 HG SER 30 -1.351 9.876 3.697 163 H GLU 31 H GLU 31 2.257 6.963 4.401 164 HA GLU 31 HA GLU 31 2.596 5.156 2.122 165 HB2 GLU 31 1HB GLU 31 4.983 5.250 2.197 166 HB3 GLU 31 2HB GLU 31 4.396 6.902 2.071 167 HG2 GLU 31 1HG GLU 31 4.883 7.358 4.327 168 HG3 GLU 31 2HG GLU 31 5.112 5.650 4.701 169 H PHE 32 H PHE 32 4.000 3.226 2.803 170 HA PHE 32 HA PHE 32 3.951 2.570 5.612 171 HB2 PHE 32 1HB PHE 32 2.536 0.554 5.317 172 HB3 PHE 32 2HB PHE 32 1.649 2.050 5.043 173 HD1 PHE 32 1HD PHE 32 3.355 -0.744 3.311 174 HD2 PHE 32 2HD PHE 32 0.535 2.431 3.025 175 HE1 PHE 32 1HE PHE 32 2.647 -1.576 1.106 176 HE2 PHE 32 2HE PHE 32 -0.178 1.604 0.820 177 HZ PHE 32 HZ PHE 32 0.878 -0.402 -0.142 178 H ILE 33 H ILE 33 5.270 0.833 6.134 179 HA ILE 33 HA ILE 33 6.993 -0.084 3.943 180 HB ILE 33 HB ILE 33 7.423 0.079 6.917 181 HG12 ILE 33 1HG1 ILE 33 8.838 1.263 4.520 182 HG13 ILE 33 2HG1 ILE 33 7.852 2.128 5.694 183 HG21 ILE 33 1HG2 ILE 33 9.067 -1.385 4.864 184 HG22 ILE 33 2HG2 ILE 33 9.678 -0.917 6.450 185 HG23 ILE 33 3HG2 ILE 33 8.325 -2.041 6.323 186 HD11 ILE 33 1HD1 ILE 33 10.639 1.196 5.875 187 HD12 ILE 33 2HD1 ILE 33 9.869 2.630 6.553 188 HD13 ILE 33 3HD1 ILE 33 9.670 1.066 7.342 189 H VAL 34 H VAL 34 7.264 -2.207 3.459 190 HA VAL 34 HA VAL 34 5.554 -4.115 4.913 191 HB VAL 34 HB VAL 34 6.596 -4.427 2.098 192 HG11 VAL 34 1HG1 VAL 34 6.010 -6.516 3.161 193 HG12 VAL 34 2HG1 VAL 34 4.447 -5.862 3.653 194 HG13 VAL 34 3HG1 VAL 34 4.800 -6.114 1.943 195 HG21 VAL 34 1HG2 VAL 34 5.194 -2.682 1.706 196 HG22 VAL 34 2HG2 VAL 34 4.000 -3.980 1.703 197 HG23 VAL 34 3HG2 VAL 34 4.224 -2.992 3.146 198 H ASN 35 H ASN 35 6.769 -5.183 6.348 199 HA ASN 35 HA ASN 35 9.549 -5.728 5.930 200 HB2 ASN 35 1HB ASN 35 8.870 -5.366 8.182 201 HB3 ASN 35 2HB ASN 35 7.581 -6.560 8.060 202 HD21 ASN 35 1HD2 ASN 35 11.093 -6.213 7.904 203 HD22 ASN 35 2HD2 ASN 35 11.453 -7.761 8.581 204 H THR 36 H THR 36 9.895 -7.059 4.211 205 HA THR 36 HA THR 36 8.511 -9.654 4.186 206 HB THR 36 HB THR 36 9.532 -9.804 1.833 207 HG1 THR 36 1HG THR 36 10.357 -7.989 0.978 208 HG21 THR 36 1HG2 THR 36 7.307 -8.023 2.712 209 HG22 THR 36 2HG2 THR 36 7.251 -9.524 1.788 210 HG23 THR 36 3HG2 THR 36 7.766 -8.029 1.009 211 H LEU 37 H LEU 37 11.339 -8.294 5.208 212 HA LEU 37 HA LEU 37 13.352 -10.010 4.339 213 HB2 LEU 37 1HB LEU 37 13.142 -8.819 7.096 214 HB3 LEU 37 2HB LEU 37 14.610 -9.301 6.248 215 HG LEU 37 HG LEU 37 12.848 -7.105 5.205 216 HD11 LEU 37 1HD1 LEU 37 15.240 -6.313 6.702 217 HD12 LEU 37 2HD1 LEU 37 13.932 -6.963 7.690 218 HD13 LEU 37 3HD1 LEU 37 13.638 -5.577 6.640 219 HD21 LEU 37 1HD2 LEU 37 14.415 -7.843 3.604 220 HD22 LEU 37 2HD2 LEU 37 15.705 -7.955 4.803 221 HD23 LEU 37 3HD2 LEU 37 15.101 -6.375 4.302 222 H ASN 38 H ASN 38 11.202 -10.296 7.152 223 HA ASN 38 HA ASN 38 12.250 -12.611 8.265 224 HB2 ASN 38 1HB ASN 38 9.563 -11.314 8.283 225 HB3 ASN 38 2HB ASN 38 9.689 -12.960 8.897 226 HD21 ASN 38 1HD2 ASN 38 12.170 -10.487 9.094 227 HD22 ASN 38 2HD2 ASN 38 12.145 -10.336 10.815 228 H ALA 39 H ALA 39 10.067 -12.208 5.544 229 HA ALA 39 HA ALA 39 9.301 -14.916 5.279 230 HB1 ALA 39 1HB ALA 39 9.259 -13.777 2.722 231 HB2 ALA 39 2HB ALA 39 7.917 -13.919 3.858 232 HB3 ALA 39 3HB ALA 39 8.907 -12.460 3.841 233 H GLY 40 H GLY 40 11.668 -13.020 3.384 234 HA2 GLY 40 1HA GLY 40 13.889 -14.382 3.337 235 HA3 GLY 40 2HA GLY 40 12.875 -15.543 2.493 236 H SER 41 H SER 41 11.617 -14.539 0.597 237 HA SER 41 HA SER 41 12.626 -12.259 -0.721 238 HB2 SER 41 1HB SER 41 14.043 -13.162 -2.388 239 HB3 SER 41 2HB SER 41 14.595 -13.895 -0.882 240 HG SER 41 HG SER 41 12.957 -15.617 -1.574 241 H GLY 42 H GLY 42 11.604 -11.876 -2.745 242 HA2 GLY 42 1HA GLY 42 10.160 -13.397 -4.393 243 HA3 GLY 42 2HA GLY 42 9.090 -13.320 -3.001 244 H ALA 43 H ALA 43 8.104 -12.385 -5.296 245 HA ALA 43 HA ALA 43 8.571 -9.531 -5.511 246 HB1 ALA 43 1HB ALA 43 7.299 -11.592 -7.133 247 HB2 ALA 43 2HB ALA 43 6.398 -10.075 -7.097 248 HB3 ALA 43 3HB ALA 43 8.083 -10.089 -7.619 249 H LEU 44 H LEU 44 6.757 -7.998 -5.445 250 HA LEU 44 HA LEU 44 4.657 -8.797 -3.544 251 HB2 LEU 44 1HB LEU 44 6.243 -7.557 -2.273 252 HB3 LEU 44 2HB LEU 44 6.356 -6.313 -3.516 253 HG LEU 44 HG LEU 44 3.900 -5.821 -2.992 254 HD11 LEU 44 1HD1 LEU 44 4.304 -8.029 -1.270 255 HD12 LEU 44 2HD1 LEU 44 2.855 -7.045 -1.473 256 HD13 LEU 44 3HD1 LEU 44 4.059 -6.601 -0.263 257 HD21 LEU 44 1HD2 LEU 44 4.494 -4.302 -1.248 258 HD22 LEU 44 2HD2 LEU 44 5.871 -4.429 -2.343 259 HD23 LEU 44 3HD2 LEU 44 5.892 -5.279 -0.797 260 H SER 45 H SER 45 2.638 -7.947 -3.878 261 HA SER 45 HA SER 45 2.317 -6.255 -6.271 262 HB2 SER 45 1HB SER 45 0.774 -8.665 -5.360 263 HB3 SER 45 2HB SER 45 -0.007 -7.442 -6.361 264 HG SER 45 HG SER 45 1.159 -8.042 -8.025 265 H VAL 46 H VAL 46 1.574 -4.309 -5.785 266 HA VAL 46 HA VAL 46 -0.215 -4.019 -3.459 267 HB VAL 46 HB VAL 46 1.597 -1.883 -4.585 268 HG11 VAL 46 1HG1 VAL 46 -0.164 -0.826 -3.468 269 HG12 VAL 46 2HG1 VAL 46 -0.217 -2.052 -2.200 270 HG13 VAL 46 3HG1 VAL 46 1.122 -0.906 -2.265 271 HG21 VAL 46 1HG2 VAL 46 2.718 -3.939 -3.520 272 HG22 VAL 46 2HG2 VAL 46 3.183 -2.341 -2.936 273 HG23 VAL 46 3HG2 VAL 46 2.062 -3.330 -2.000 274 H THR 47 H THR 47 -2.010 -2.686 -3.642 275 HA THR 47 HA THR 47 -2.557 -1.211 -6.046 276 HB THR 47 HB THR 47 -4.782 -2.582 -6.328 277 HG1 THR 47 1HG THR 47 -3.844 -4.001 -4.485 278 HG21 THR 47 1HG2 THR 47 -2.526 -2.362 -7.783 279 HG22 THR 47 2HG2 THR 47 -3.892 -3.372 -8.257 280 HG23 THR 47 3HG2 THR 47 -2.502 -4.092 -7.445 281 H ILE 48 H ILE 48 -4.027 0.369 -5.689 282 HA ILE 48 HA ILE 48 -5.502 0.278 -3.138 283 HB ILE 48 HB ILE 48 -4.514 2.775 -4.512 284 HG12 ILE 48 1HG1 ILE 48 -3.333 1.216 -2.207 285 HG13 ILE 48 2HG1 ILE 48 -2.583 1.532 -3.768 286 HG21 ILE 48 1HG2 ILE 48 -5.201 2.711 -1.640 287 HG22 ILE 48 2HG2 ILE 48 -5.464 3.972 -2.844 288 HG23 ILE 48 3HG2 ILE 48 -6.543 2.579 -2.776 289 HD11 ILE 48 1HD1 ILE 48 -3.374 3.915 -2.244 290 HD12 ILE 48 2HD1 ILE 48 -2.082 2.943 -1.538 291 HD13 ILE 48 3HD1 ILE 48 -1.910 3.586 -3.171 292 H ASP 49 H ASP 49 -7.623 0.922 -3.117 293 HA ASP 49 HA ASP 49 -8.812 1.912 -5.599 294 HB2 ASP 49 1HB ASP 49 -8.931 -0.690 -5.310 295 HB3 ASP 49 2HB ASP 49 -10.200 -0.313 -4.148 296 H GLY 50 H GLY 50 -9.738 3.758 -5.001 297 HA2 GLY 50 1HA GLY 50 -11.488 3.720 -2.635 298 HA3 GLY 50 2HA GLY 50 -10.292 4.997 -2.807 299 HA PRO 51 HA PRO 51 -14.285 6.439 -4.690 300 HB2 PRO 51 1HB PRO 51 -14.276 8.854 -3.449 301 HB3 PRO 51 2HB PRO 51 -14.968 7.401 -2.718 302 HG2 PRO 51 1HG PRO 51 -12.293 8.664 -2.256 303 HG3 PRO 51 2HG PRO 51 -13.431 7.989 -1.075 304 HD2 PRO 51 1HD PRO 51 -11.252 6.633 -1.940 305 HD3 PRO 51 2HD PRO 51 -12.764 5.821 -1.484 306 H SER 52 H SER 52 -11.036 7.577 -4.486 307 HA SER 52 HA SER 52 -11.311 8.865 -7.081 308 HB2 SER 52 1HB SER 52 -11.619 10.571 -5.138 309 HB3 SER 52 2HB SER 52 -9.877 10.392 -4.925 310 HG SER 52 HG SER 52 -9.729 11.790 -6.478 311 H LYS 53 H LYS 53 -9.747 8.094 -8.318 312 HA LYS 53 HA LYS 53 -7.787 6.372 -7.777 313 HB2 LYS 53 1HB LYS 53 -6.645 7.047 -9.745 314 HB3 LYS 53 2HB LYS 53 -8.346 7.395 -10.024 315 HG2 LYS 53 1HG LYS 53 -8.032 9.646 -10.027 316 HG3 LYS 53 2HG LYS 53 -6.666 9.569 -8.911 317 HD2 LYS 53 1HD LYS 53 -6.316 8.349 -11.594 318 HD3 LYS 53 2HD LYS 53 -6.363 10.111 -11.500 319 HE2 LYS 53 1HE LYS 53 -4.639 8.630 -9.579 320 HE3 LYS 53 2HE LYS 53 -4.101 8.768 -11.252 321 HZ1 LYS 53 1HZ LYS 53 -5.016 11.272 -10.299 322 HZ2 LYS 53 2HZ LYS 53 -3.490 10.853 -10.897 323 HZ3 LYS 53 3HZ LYS 53 -3.838 10.654 -9.253 324 H VAL 54 H VAL 54 -5.629 6.357 -7.135 325 HA VAL 54 HA VAL 54 -4.634 8.831 -5.885 326 HB VAL 54 HB VAL 54 -3.543 7.247 -4.171 327 HG11 VAL 54 1HG1 VAL 54 -5.153 8.774 -3.402 328 HG12 VAL 54 2HG1 VAL 54 -6.467 7.936 -4.232 329 HG13 VAL 54 3HG1 VAL 54 -5.703 7.203 -2.821 330 HG21 VAL 54 1HG2 VAL 54 -4.098 5.085 -4.104 331 HG22 VAL 54 2HG2 VAL 54 -5.811 5.431 -4.339 332 HG23 VAL 54 3HG2 VAL 54 -4.737 5.315 -5.732 333 H GLN 55 H GLN 55 -2.565 9.337 -6.312 334 HA GLN 55 HA GLN 55 -1.111 7.657 -8.171 335 HB2 GLN 55 1HB GLN 55 -1.344 10.228 -8.265 336 HB3 GLN 55 2HB GLN 55 -0.105 10.244 -7.017 337 HG2 GLN 55 1HG GLN 55 1.376 8.969 -8.529 338 HG3 GLN 55 2HG GLN 55 0.145 9.090 -9.784 339 HE21 GLN 55 1HE2 GLN 55 1.917 10.118 -10.965 340 HE22 GLN 55 2HE2 GLN 55 2.180 11.813 -10.755 341 H LEU 56 H LEU 56 -0.549 5.889 -6.849 342 HA LEU 56 HA LEU 56 1.051 6.328 -4.480 343 HB2 LEU 56 1HB LEU 56 1.031 3.953 -4.221 344 HB3 LEU 56 2HB LEU 56 -0.594 4.485 -4.652 345 HG LEU 56 HG LEU 56 0.209 3.836 -7.081 346 HD11 LEU 56 1HD1 LEU 56 1.893 2.318 -7.272 347 HD12 LEU 56 2HD1 LEU 56 1.686 1.710 -5.630 348 HD13 LEU 56 3HD1 LEU 56 2.505 3.248 -5.904 349 HD21 LEU 56 1HD2 LEU 56 -1.574 2.581 -6.587 350 HD22 LEU 56 2HD2 LEU 56 -1.088 2.388 -4.903 351 HD23 LEU 56 3HD2 LEU 56 -0.406 1.336 -6.145 352 H ASP 57 H ASP 57 3.166 5.271 -4.217 353 HA ASP 57 HA ASP 57 4.676 4.830 -6.671 354 HB2 ASP 57 1HB ASP 57 4.735 7.327 -5.811 355 HB3 ASP 57 2HB ASP 57 5.902 6.676 -4.663 356 H CYS 58 H CYS 58 5.388 2.829 -6.281 357 HA CYS 58 HA CYS 58 6.262 2.080 -3.604 358 HB2 CYS 58 1HB CYS 58 6.327 -0.194 -4.449 359 HB3 CYS 58 2HB CYS 58 4.799 0.553 -4.899 360 HG CYS 58 HG CYS 58 7.269 -0.601 -6.845 361 H ARG 59 H ARG 59 8.322 2.033 -2.995 362 HA ARG 59 HA ARG 59 10.410 1.879 -5.059 363 HB2 ARG 59 1HB ARG 59 11.738 3.484 -3.576 364 HB3 ARG 59 2HB ARG 59 10.432 4.171 -4.533 365 HG2 ARG 59 1HG ARG 59 9.069 3.681 -2.304 366 HG3 ARG 59 2HG ARG 59 10.679 3.858 -1.602 367 HD2 ARG 59 1HD ARG 59 10.911 6.043 -2.653 368 HD3 ARG 59 2HD ARG 59 9.328 5.861 -3.409 369 HE ARG 59 HE ARG 59 8.712 5.608 -0.825 370 HH11 ARG 59 1HH1 ARG 59 10.710 7.926 -2.485 371 HH12 ARG 59 2HH1 ARG 59 10.380 9.207 -1.367 372 HH21 ARG 59 1HH2 ARG 59 8.270 7.286 0.655 373 HH22 ARG 59 2HH2 ARG 59 8.993 8.842 0.420 374 H GLU 60 H GLU 60 12.622 1.498 -3.948 375 HA GLU 60 HA GLU 60 12.324 -0.869 -2.325 376 HB2 GLU 60 1HB GLU 60 14.649 0.505 -3.640 377 HB3 GLU 60 2HB GLU 60 14.912 -0.782 -2.472 378 HG2 GLU 60 1HG GLU 60 13.211 -2.076 -3.991 379 HG3 GLU 60 2HG GLU 60 13.737 -0.905 -5.199 380 H CYS 61 H CYS 61 13.012 -1.170 -0.232 381 HA CYS 61 HA CYS 61 14.103 1.130 1.212 382 HB2 CYS 61 1HB CYS 61 12.452 0.546 3.100 383 HB3 CYS 61 2HB CYS 61 11.833 1.443 1.718 384 HG CYS 61 HG CYS 61 11.098 -1.264 0.589 385 HA PRO 62 HA PRO 62 16.626 -1.824 3.248 386 HB2 PRO 62 1HB PRO 62 16.909 -0.704 5.705 387 HB3 PRO 62 2HB PRO 62 17.689 -0.055 4.257 388 HG2 PRO 62 1HG PRO 62 15.181 0.845 5.621 389 HG3 PRO 62 2HG PRO 62 16.503 1.820 4.953 390 HD2 PRO 62 1HD PRO 62 14.168 1.432 3.637 391 HD3 PRO 62 2HD PRO 62 15.717 1.631 2.794 392 H GLU 63 H GLU 63 13.425 -1.462 4.000 393 HA GLU 63 HA GLU 63 13.532 -3.584 6.042 394 HB2 GLU 63 1HB GLU 63 11.432 -1.445 5.648 395 HB3 GLU 63 2HB GLU 63 11.325 -2.756 6.814 396 HG2 GLU 63 1HG GLU 63 13.706 -0.980 6.888 397 HG3 GLU 63 2HG GLU 63 12.171 -0.372 7.507 398 H GLY 64 H GLY 64 13.060 -3.184 2.884 399 HA2 GLY 64 1HA GLY 64 12.282 -5.343 1.833 400 HA3 GLY 64 2HA GLY 64 10.809 -5.092 2.758 401 H HIS 65 H HIS 65 9.203 -3.944 1.867 402 HA HIS 65 HA HIS 65 9.814 -2.401 -0.568 403 HB2 HIS 65 1HB HIS 65 7.467 -4.219 -0.014 404 HB3 HIS 65 2HB HIS 65 7.498 -3.064 -1.344 405 HD1 HIS 65 1HD HIS 65 8.842 -3.686 -3.408 406 HD2 HIS 65 2HD HIS 65 9.265 -6.406 -0.297 407 HE1 HIS 65 1HE HIS 65 10.033 -5.666 -4.403 408 HE2 HIS 65 2HE HIS 65 10.201 -7.333 -2.523 409 H VAL 66 H VAL 66 8.874 -0.422 -0.783 410 HA VAL 66 HA VAL 66 7.056 0.441 1.370 411 HB VAL 66 HB VAL 66 9.427 1.332 1.568 412 HG11 VAL 66 1HG1 VAL 66 10.393 2.450 -0.097 413 HG12 VAL 66 2HG1 VAL 66 9.062 1.912 -1.124 414 HG13 VAL 66 3HG1 VAL 66 8.979 3.479 -0.318 415 HG21 VAL 66 1HG2 VAL 66 8.686 3.335 2.468 416 HG22 VAL 66 2HG2 VAL 66 7.479 3.576 1.204 417 HG23 VAL 66 3HG2 VAL 66 7.217 2.360 2.454 418 H VAL 67 H VAL 67 5.480 1.972 0.824 419 HA VAL 67 HA VAL 67 5.227 2.700 -2.000 420 HB VAL 67 HB VAL 67 2.948 1.469 -0.447 421 HG11 VAL 67 1HG1 VAL 67 1.860 2.760 -1.971 422 HG12 VAL 67 2HG1 VAL 67 3.212 2.758 -3.105 423 HG13 VAL 67 3HG1 VAL 67 2.160 1.347 -2.982 424 HG21 VAL 67 1HG2 VAL 67 3.319 -0.271 -2.419 425 HG22 VAL 67 2HG2 VAL 67 4.983 0.290 -2.257 426 HG23 VAL 67 3HG2 VAL 67 4.152 -0.418 -0.872 427 H THR 68 H THR 68 4.616 4.751 -2.256 428 HA THR 68 HA THR 68 3.364 6.125 0.033 429 HB THR 68 HB THR 68 5.171 7.439 -1.998 430 HG1 THR 68 1HG THR 68 6.104 5.766 -0.445 431 HG21 THR 68 1HG2 THR 68 4.747 9.366 -0.935 432 HG22 THR 68 2HG2 THR 68 4.907 8.619 0.655 433 HG23 THR 68 3HG2 THR 68 3.374 8.528 -0.212 434 H TYR 69 H TYR 69 1.478 7.104 -0.338 435 HA TYR 69 HA TYR 69 0.750 7.802 -3.094 436 HB2 TYR 69 1HB TYR 69 -1.387 6.780 -2.943 437 HB3 TYR 69 2HB TYR 69 -0.236 5.570 -2.387 438 HD1 TYR 69 1HD TYR 69 -2.561 8.192 -1.119 439 HD2 TYR 69 2HD TYR 69 -0.559 4.521 -0.333 440 HE1 TYR 69 1HE TYR 69 -3.833 7.953 0.973 441 HE2 TYR 69 2HE TYR 69 -1.826 4.270 1.759 442 HH TYR 69 HH TYR 69 -3.348 5.151 3.107 443 H THR 70 H THR 70 -1.179 9.250 -3.172 444 HA THR 70 HA THR 70 -1.337 10.956 -0.774 445 HB THR 70 HB THR 70 -1.299 11.902 -3.647 446 HG1 THR 70 1HG THR 70 0.755 12.445 -3.283 447 HG21 THR 70 1HG2 THR 70 -2.373 13.104 -1.310 448 HG22 THR 70 2HG2 THR 70 -2.210 13.799 -2.923 449 HG23 THR 70 3HG2 THR 70 -0.909 13.985 -1.746 450 HA PRO 71 HA PRO 71 -5.673 10.049 -1.240 451 HB2 PRO 71 1HB PRO 71 -6.502 11.561 0.857 452 HB3 PRO 71 2HB PRO 71 -5.745 9.976 1.056 453 HG2 PRO 71 1HG PRO 71 -4.530 12.701 1.310 454 HG3 PRO 71 2HG PRO 71 -4.308 11.276 2.342 455 HD2 PRO 71 1HD PRO 71 -2.502 12.010 0.463 456 HD3 PRO 71 2HD PRO 71 -2.789 10.313 0.901 457 H MET 72 H MET 72 -7.385 11.046 -2.204 458 HA MET 72 HA MET 72 -7.100 13.924 -2.772 459 HB2 MET 72 1HB MET 72 -7.921 11.631 -4.501 460 HB3 MET 72 2HB MET 72 -8.630 13.211 -4.805 461 HG2 MET 72 1HG MET 72 -6.231 14.080 -4.858 462 HG3 MET 72 2HG MET 72 -5.756 12.387 -4.974 463 HE1 MET 72 1HE MET 72 -8.964 14.134 -7.359 464 HE2 MET 72 2HE MET 72 -8.058 15.004 -6.121 465 HE3 MET 72 3HE MET 72 -7.641 15.204 -7.823 466 H ALA 73 H ALA 73 -9.054 11.465 -1.444 467 HA ALA 73 HA ALA 73 -11.043 13.396 -0.648 468 HB1 ALA 73 1HB ALA 73 -12.903 11.821 -1.509 469 HB2 ALA 73 2HB ALA 73 -12.139 12.940 -2.639 470 HB3 ALA 73 3HB ALA 73 -11.668 11.240 -2.626 471 HA PRO 74 HA PRO 74 -11.158 10.799 2.897 472 HB2 PRO 74 1HB PRO 74 -13.604 11.443 3.883 473 HB3 PRO 74 2HB PRO 74 -12.217 12.536 3.965 474 HG2 PRO 74 1HG PRO 74 -14.497 12.511 2.025 475 HG3 PRO 74 2HG PRO 74 -13.734 13.890 2.839 476 HD2 PRO 74 1HD PRO 74 -13.175 13.219 0.275 477 HD3 PRO 74 2HD PRO 74 -11.971 13.951 1.355 478 H GLY 75 H GLY 75 -11.264 8.658 2.461 479 HA2 GLY 75 1HA GLY 75 -13.832 7.376 2.490 480 HA3 GLY 75 2HA GLY 75 -13.046 7.266 0.921 481 H ASN 76 H ASN 76 -13.276 4.918 1.516 482 HA ASN 76 HA ASN 76 -11.057 4.043 3.241 483 HB2 ASN 76 1HB ASN 76 -13.282 2.252 2.297 484 HB3 ASN 76 2HB ASN 76 -12.232 2.061 3.699 485 HD21 ASN 76 1HD2 ASN 76 -15.276 2.569 2.939 486 HD22 ASN 76 2HD2 ASN 76 -15.782 3.599 4.231 487 H TYR 77 H TYR 77 -9.365 4.066 1.810 488 HA TYR 77 HA TYR 77 -9.583 2.931 -0.820 489 HB2 TYR 77 1HB TYR 77 -7.201 3.887 0.777 490 HB3 TYR 77 2HB TYR 77 -7.104 3.316 -0.885 491 HD1 TYR 77 1HD TYR 77 -8.563 5.944 1.281 492 HD2 TYR 77 2HD TYR 77 -7.638 4.739 -2.693 493 HE1 TYR 77 1HE TYR 77 -9.089 8.208 0.479 494 HE2 TYR 77 2HE TYR 77 -8.160 7.001 -3.507 495 HH TYR 77 HH TYR 77 -9.166 9.571 -1.269 496 H LEU 78 H LEU 78 -9.538 0.837 -1.251 497 HA LEU 78 HA LEU 78 -8.741 -1.092 0.718 498 HB2 LEU 78 1HB LEU 78 -10.607 -1.284 -1.038 499 HB3 LEU 78 2HB LEU 78 -9.314 -1.691 -2.165 500 HG LEU 78 HG LEU 78 -10.256 -3.737 -1.462 501 HD11 LEU 78 1HD1 LEU 78 -7.782 -3.637 -1.494 502 HD12 LEU 78 2HD1 LEU 78 -8.418 -4.853 -0.386 503 HD13 LEU 78 3HD1 LEU 78 -7.805 -3.323 0.241 504 HD21 LEU 78 1HD2 LEU 78 -11.002 -2.388 0.809 505 HD22 LEU 78 2HD2 LEU 78 -9.787 -3.519 1.407 506 HD23 LEU 78 3HD2 LEU 78 -11.194 -4.119 0.528 507 H ILE 79 H ILE 79 -6.673 -1.509 1.108 508 HA ILE 79 HA ILE 79 -4.748 -1.382 -1.108 509 HB ILE 79 HB ILE 79 -4.223 -1.425 1.866 510 HG12 ILE 79 1HG1 ILE 79 -3.710 0.903 0.043 511 HG13 ILE 79 2HG1 ILE 79 -5.315 0.652 0.719 512 HG21 ILE 79 1HG2 ILE 79 -2.063 -1.720 1.425 513 HG22 ILE 79 2HG2 ILE 79 -2.532 -2.117 -0.227 514 HG23 ILE 79 3HG2 ILE 79 -2.078 -0.464 0.187 515 HD11 ILE 79 1HD1 ILE 79 -3.760 2.223 1.958 516 HD12 ILE 79 2HD1 ILE 79 -4.556 0.970 2.910 517 HD13 ILE 79 3HD1 ILE 79 -2.866 0.782 2.442 518 H ALA 80 H ALA 80 -4.765 -3.344 -2.072 519 HA ALA 80 HA ALA 80 -4.752 -5.767 -0.455 520 HB1 ALA 80 1HB ALA 80 -4.979 -6.953 -2.571 521 HB2 ALA 80 2HB ALA 80 -6.191 -5.679 -2.431 522 HB3 ALA 80 3HB ALA 80 -4.774 -5.439 -3.453 523 H ILE 81 H ILE 81 -2.863 -6.422 0.331 524 HA ILE 81 HA ILE 81 -0.444 -6.043 -1.305 525 HB ILE 81 HB ILE 81 -0.665 -6.455 1.680 526 HG12 ILE 81 1HG1 ILE 81 0.317 -4.000 0.231 527 HG13 ILE 81 2HG1 ILE 81 -1.374 -4.208 0.675 528 HG21 ILE 81 1HG2 ILE 81 1.362 -7.455 0.799 529 HG22 ILE 81 2HG2 ILE 81 1.749 -5.965 -0.059 530 HG23 ILE 81 3HG2 ILE 81 1.750 -5.992 1.704 531 HD11 ILE 81 1HD1 ILE 81 -0.950 -3.472 2.712 532 HD12 ILE 81 2HD1 ILE 81 0.259 -4.733 2.951 533 HD13 ILE 81 3HD1 ILE 81 0.724 -3.189 2.238 534 H LYS 82 H LYS 82 0.383 -7.790 -2.221 535 HA LYS 82 HA LYS 82 -0.072 -10.407 -0.944 536 HB2 LYS 82 1HB LYS 82 0.140 -9.949 -3.920 537 HB3 LYS 82 2HB LYS 82 -0.308 -11.436 -3.096 538 HG2 LYS 82 1HG LYS 82 -2.273 -10.006 -2.164 539 HG3 LYS 82 2HG LYS 82 -1.909 -8.960 -3.539 540 HD2 LYS 82 1HD LYS 82 -2.097 -10.973 -5.013 541 HD3 LYS 82 2HD LYS 82 -2.660 -11.881 -3.608 542 HE2 LYS 82 1HE LYS 82 -4.633 -11.225 -4.650 543 HE3 LYS 82 2HE LYS 82 -4.423 -10.017 -3.384 544 HZ1 LYS 82 1HZ LYS 82 -5.045 -9.099 -5.588 545 HZ2 LYS 82 2HZ LYS 82 -3.556 -9.625 -6.194 546 HZ3 LYS 82 3HZ LYS 82 -3.606 -8.462 -4.967 547 H TYR 83 H TYR 83 1.550 -12.063 -1.562 548 HA TYR 83 HA TYR 83 4.089 -11.143 -2.573 549 HB2 TYR 83 1HB TYR 83 3.990 -10.468 -0.108 550 HB3 TYR 83 2HB TYR 83 4.049 -12.190 0.254 551 HD1 TYR 83 2HD TYR 83 5.900 -9.508 -1.548 552 HD2 TYR 83 1HD TYR 83 6.105 -13.282 0.404 553 HE1 TYR 83 2HE TYR 83 8.353 -9.450 -1.708 554 HE2 TYR 83 1HE TYR 83 8.559 -13.235 0.251 555 HH TYR 83 HH TYR 83 10.242 -10.674 -1.494 556 H GLY 84 H GLY 84 5.306 -12.789 -3.377 557 HA2 GLY 84 1HA GLY 84 5.545 -14.886 -4.334 558 HA3 GLY 84 2HA GLY 84 5.591 -15.367 -2.644 559 H GLY 85 H GLY 85 2.917 -14.183 -4.674 560 HA2 GLY 85 1HA GLY 85 1.583 -16.375 -5.409 561 HA3 GLY 85 2HA GLY 85 1.252 -16.355 -3.684 562 HA PRO 86 HA PRO 86 -1.485 -13.353 -6.271 563 HB2 PRO 86 1HB PRO 86 -3.550 -14.980 -6.948 564 HB3 PRO 86 2HB PRO 86 -2.147 -14.723 -7.993 565 HG2 PRO 86 1HG PRO 86 -2.734 -16.994 -6.133 566 HG3 PRO 86 2HG PRO 86 -2.076 -17.037 -7.779 567 HD2 PRO 86 1HD PRO 86 -0.515 -17.275 -5.579 568 HD3 PRO 86 2HD PRO 86 0.054 -16.508 -7.076 569 H GLN 87 H GLN 87 -1.618 -15.422 -3.633 570 HA GLN 87 HA GLN 87 -4.261 -14.681 -2.726 571 HB2 GLN 87 1HB GLN 87 -2.021 -16.264 -1.475 572 HB3 GLN 87 2HB GLN 87 -3.516 -15.899 -0.624 573 HG2 GLN 87 1HG GLN 87 -4.795 -17.100 -2.289 574 HG3 GLN 87 2HG GLN 87 -3.331 -17.406 -3.223 575 HE21 GLN 87 1HE2 GLN 87 -1.672 -18.718 -2.219 576 HE22 GLN 87 2HE2 GLN 87 -2.131 -19.953 -1.101 577 H HIS 88 H HIS 88 -4.454 -13.834 -0.416 578 HA HIS 88 HA HIS 88 -2.875 -11.393 -0.254 579 HB2 HIS 88 1HB HIS 88 -5.361 -12.323 1.185 580 HB3 HIS 88 2HB HIS 88 -4.535 -10.816 1.569 581 HD1 HIS 88 1HD HIS 88 -5.325 -8.832 0.318 582 HD2 HIS 88 2HD HIS 88 -6.224 -12.372 -1.662 583 HE1 HIS 88 1HE HIS 88 -6.685 -8.154 -1.686 584 HE2 HIS 88 2HE HIS 88 -7.289 -10.320 -2.822 585 H ILE 89 H ILE 89 -1.412 -10.940 1.294 586 HA ILE 89 HA ILE 89 -0.337 -13.056 2.852 587 HB ILE 89 HB ILE 89 1.213 -11.428 3.741 588 HG12 ILE 89 1HG1 ILE 89 -0.125 -9.192 2.274 589 HG13 ILE 89 2HG1 ILE 89 -0.747 -9.660 3.853 590 HG21 ILE 89 1HG2 ILE 89 2.331 -11.460 1.822 591 HG22 ILE 89 2HG2 ILE 89 0.850 -11.994 1.029 592 HG23 ILE 89 3HG2 ILE 89 1.238 -10.276 1.106 593 HD11 ILE 89 1HD1 ILE 89 0.731 -8.082 4.508 594 HD12 ILE 89 2HD1 ILE 89 1.825 -9.465 4.481 595 HD13 ILE 89 3HD1 ILE 89 1.792 -8.338 3.124 596 H VAL 90 H VAL 90 -0.014 -12.972 5.207 597 HA VAL 90 HA VAL 90 -2.362 -12.997 6.641 598 HB VAL 90 HB VAL 90 -0.363 -14.049 7.505 599 HG11 VAL 90 1HG1 VAL 90 1.020 -11.926 6.699 600 HG12 VAL 90 2HG1 VAL 90 0.840 -11.491 8.400 601 HG13 VAL 90 3HG1 VAL 90 1.611 -13.014 7.954 602 HG21 VAL 90 1HG2 VAL 90 -0.718 -12.052 9.631 603 HG22 VAL 90 2HG2 VAL 90 -2.213 -12.747 9.004 604 HG23 VAL 90 3HG2 VAL 90 -0.959 -13.799 9.661 605 H GLY 91 H GLY 91 -3.752 -11.404 7.016 606 HA2 GLY 91 1HA GLY 91 -4.171 -9.421 8.383 607 HA3 GLY 91 2HA GLY 91 -2.661 -8.764 7.770 608 H SER 92 H SER 92 -2.997 -9.407 5.045 609 HA SER 92 HA SER 92 -4.574 -7.198 4.214 610 HB2 SER 92 1HB SER 92 -3.028 -9.343 2.805 611 HB3 SER 92 2HB SER 92 -4.125 -8.317 1.880 612 HG SER 92 HG SER 92 -2.957 -6.528 2.516 613 HA PRO 93 HA PRO 93 -5.408 -6.800 1.953 614 HB2 PRO 93 1HB PRO 93 -7.728 -5.421 1.656 615 HB3 PRO 93 2HB PRO 93 -7.247 -6.735 0.577 616 HG2 PRO 93 1HG PRO 93 -9.145 -6.783 2.892 617 HG3 PRO 93 2HG PRO 93 -9.310 -7.533 1.293 618 HD2 PRO 93 1HD PRO 93 -8.556 -8.930 3.487 619 HD3 PRO 93 2HD PRO 93 -7.974 -9.325 1.856 620 H PHE 94 H PHE 94 -5.670 -4.365 2.355 621 HA PHE 94 HA PHE 94 -6.058 -3.875 5.235 622 HB2 PHE 94 1HB PHE 94 -3.882 -2.881 3.399 623 HB3 PHE 94 2HB PHE 94 -4.236 -2.110 4.941 624 HD1 PHE 94 2HD PHE 94 -4.101 -3.538 7.042 625 HD2 PHE 94 1HD PHE 94 -2.495 -4.745 3.289 626 HE1 PHE 94 2HE PHE 94 -2.655 -5.166 8.188 627 HE2 PHE 94 1HE PHE 94 -1.048 -6.376 4.429 628 HZ PHE 94 HZ PHE 94 -1.126 -6.587 6.882 629 H LYS 95 H LYS 95 -7.751 -2.599 5.532 630 HA LYS 95 HA LYS 95 -8.637 -0.799 3.434 631 HB2 LYS 95 1HB LYS 95 -10.070 -2.315 5.067 632 HB3 LYS 95 2HB LYS 95 -9.947 -0.908 6.115 633 HG2 LYS 95 1HG LYS 95 -11.933 -0.555 4.984 634 HG3 LYS 95 2HG LYS 95 -10.778 0.418 4.070 635 HD2 LYS 95 1HD LYS 95 -11.875 -0.678 2.370 636 HD3 LYS 95 2HD LYS 95 -10.519 -1.772 2.654 637 HE2 LYS 95 1HE LYS 95 -13.042 -2.187 4.181 638 HE3 LYS 95 2HE LYS 95 -12.991 -2.667 2.486 639 HZ1 LYS 95 1HZ LYS 95 -12.203 -4.565 3.365 640 HZ2 LYS 95 2HZ LYS 95 -11.646 -3.829 4.782 641 HZ3 LYS 95 3HZ LYS 95 -10.726 -3.739 3.365 642 H ALA 96 H ALA 96 -7.872 1.196 3.296 643 HA ALA 96 HA ALA 96 -6.900 2.520 5.736 644 HB1 ALA 96 1HB ALA 96 -5.755 4.063 4.075 645 HB2 ALA 96 2HB ALA 96 -5.153 2.407 4.164 646 HB3 ALA 96 3HB ALA 96 -6.206 2.892 2.836 647 H LYS 97 H LYS 97 -8.344 3.842 6.618 648 HA LYS 97 HA LYS 97 -10.286 5.214 4.910 649 HB2 LYS 97 1HB LYS 97 -11.208 4.008 6.808 650 HB3 LYS 97 2HB LYS 97 -10.152 4.879 7.912 651 HG2 LYS 97 1HG LYS 97 -11.293 6.978 7.298 652 HG3 LYS 97 2HG LYS 97 -12.393 6.050 6.276 653 HD2 LYS 97 1HD LYS 97 -12.037 5.442 9.198 654 HD3 LYS 97 2HD LYS 97 -13.194 6.647 8.627 655 HE2 LYS 97 1HE LYS 97 -13.168 3.855 7.528 656 HE3 LYS 97 2HE LYS 97 -14.024 4.245 9.020 657 HZ1 LYS 97 1HZ LYS 97 -15.525 4.377 7.170 658 HZ2 LYS 97 2HZ LYS 97 -14.503 5.444 6.346 659 HZ3 LYS 97 3HZ LYS 97 -15.270 5.938 7.771 660 H VAL 98 H VAL 98 -9.443 7.042 4.097 661 HA VAL 98 HA VAL 98 -7.646 8.698 5.640 662 HB VAL 98 HB VAL 98 -8.803 8.958 2.871 663 HG11 VAL 98 1HG1 VAL 98 -7.401 10.972 4.542 664 HG12 VAL 98 2HG1 VAL 98 -6.970 10.871 2.834 665 HG13 VAL 98 3HG1 VAL 98 -8.639 11.190 3.306 666 HG21 VAL 98 1HG2 VAL 98 -7.040 7.696 2.372 667 HG22 VAL 98 2HG2 VAL 98 -6.016 9.056 2.831 668 HG23 VAL 98 3HG2 VAL 98 -6.414 7.813 4.017 669 H THR 99 H THR 99 -8.093 10.609 6.611 670 HA THR 99 HA THR 99 -10.926 11.396 6.722 671 HB THR 99 HB THR 99 -10.426 12.479 8.847 672 HG1 THR 99 1HG THR 99 -7.780 11.761 8.164 673 HG21 THR 99 1HG2 THR 99 -10.344 10.564 10.134 674 HG22 THR 99 2HG2 THR 99 -9.130 9.799 9.109 675 HG23 THR 99 3HG2 THR 99 -10.804 9.902 8.566 676 H GLY 100 H GLY 100 -11.289 13.778 7.116 677 HA2 GLY 100 1HA GLY 100 -10.501 16.039 6.826 678 HA3 GLY 100 2HA GLY 100 -9.302 15.427 5.696 679 HA PRO 101 HA PRO 101 -13.175 17.053 3.509 680 HB2 PRO 101 1HB PRO 101 -12.041 19.240 2.368 681 HB3 PRO 101 2HB PRO 101 -12.813 19.277 3.958 682 HG2 PRO 101 1HG PRO 101 -9.907 19.078 3.268 683 HG3 PRO 101 2HG PRO 101 -10.696 20.058 4.518 684 HD2 PRO 101 1HD PRO 101 -9.447 17.721 5.073 685 HD3 PRO 101 2HD PRO 101 -10.864 18.286 5.981 686 H ARG 102 H ARG 102 -13.473 17.148 1.196 687 HA ARG 102 HA ARG 102 -11.813 15.320 -0.206 688 HB2 ARG 102 1HB ARG 102 -14.364 15.975 -0.495 689 HB3 ARG 102 2HB ARG 102 -13.703 17.112 -1.662 690 HG2 ARG 102 1HG ARG 102 -12.561 15.180 -2.769 691 HG3 ARG 102 2HG ARG 102 -13.469 14.115 -1.692 692 HD2 ARG 102 1HD ARG 102 -14.860 14.137 -3.509 693 HD3 ARG 102 2HD ARG 102 -15.517 15.494 -2.596 694 HE ARG 102 HE ARG 102 -14.940 16.837 -4.338 695 HH11 ARG 102 1HH1 ARG 102 -12.903 14.015 -4.412 696 HH12 ARG 102 2HH1 ARG 102 -12.101 14.471 -5.878 697 HH21 ARG 102 1HH2 ARG 102 -13.891 17.449 -6.269 698 HH22 ARG 102 2HH2 ARG 102 -12.663 16.426 -6.933 699 H LEU 103 H LEU 103 -9.748 16.411 0.015 700 HA LEU 103 HA LEU 103 -9.275 18.923 -1.255 701 HB2 LEU 103 1HB LEU 103 -7.614 16.807 0.003 702 HB3 LEU 103 2HB LEU 103 -6.817 17.937 -1.090 703 HG LEU 103 HG LEU 103 -8.447 18.844 1.271 704 HD11 LEU 103 1HD1 LEU 103 -6.237 17.315 1.567 705 HD12 LEU 103 2HD1 LEU 103 -6.732 18.575 2.697 706 HD13 LEU 103 3HD1 LEU 103 -5.516 18.922 1.468 707 HD21 LEU 103 1HD2 LEU 103 -7.213 20.161 -0.905 708 HD22 LEU 103 2HD2 LEU 103 -6.274 20.536 0.540 709 HD23 LEU 103 3HD2 LEU 103 -8.005 20.876 0.500 710 H SER 104 H SER 104 -9.812 18.946 -3.385 711 HA SER 104 HA SER 104 -8.287 17.133 -5.134 712 HB2 SER 104 1HB SER 104 -10.488 16.310 -5.332 713 HB3 SER 104 2HB SER 104 -11.188 17.929 -5.309 714 HG SER 104 HG SER 104 -9.877 16.582 -7.397 715 H GLY 105 H GLY 105 -7.692 17.986 -7.189 716 HA2 GLY 105 1HA GLY 105 -7.898 19.961 -8.708 717 HA3 GLY 105 2HA GLY 105 -7.718 20.941 -7.260 718 H SER 106 H SER 106 -5.690 21.154 -6.296 719 HA SER 106 HA SER 106 -3.499 21.259 -8.001 720 HB2 SER 106 1HB SER 106 -2.149 21.664 -6.004 721 HB3 SER 106 2HB SER 106 -3.678 22.535 -5.887 722 HG SER 106 HG SER 106 -2.829 21.148 -4.024 723 H GLY 107 H GLY 107 -1.378 20.106 -7.639 724 HA2 GLY 107 1HA GLY 107 -0.735 17.818 -6.499 725 HA3 GLY 107 2HA GLY 107 -1.908 17.230 -7.668 726 HA PRO 108 HA PRO 108 1.284 16.870 -10.650 727 HB2 PRO 108 1HB PRO 108 -0.119 17.239 -12.944 728 HB3 PRO 108 2HB PRO 108 -0.243 15.770 -11.968 729 HG2 PRO 108 1HG PRO 108 -2.067 18.143 -12.061 730 HG3 PRO 108 2HG PRO 108 -2.476 16.418 -12.011 731 HD2 PRO 108 1HD PRO 108 -2.566 18.000 -9.816 732 HD3 PRO 108 2HD PRO 108 -2.148 16.277 -9.734 733 H SER 109 H SER 109 -0.887 19.649 -11.067 734 HA SER 109 HA SER 109 1.176 21.126 -12.491 735 HB2 SER 109 1HB SER 109 -1.083 21.347 -13.332 736 HB3 SER 109 2HB SER 109 -1.668 21.845 -11.744 737 HG SER 109 HG SER 109 0.113 23.257 -13.442 738 H SER 110 H SER 110 2.563 22.451 -11.535 739 HA SER 110 HA SER 110 2.045 23.251 -8.753 740 HB2 SER 110 1HB SER 110 4.167 21.914 -9.518 741 HB3 SER 110 2HB SER 110 4.734 23.494 -10.058 742 HG SER 110 HG SER 110 4.178 24.189 -7.836 743 H GLY 111 H GLY 111 1.036 25.177 -8.780 744 HA2 GLY 111 1HA GLY 111 2.249 27.311 -10.427 745 HA3 GLY 111 2HA GLY 111 0.527 27.215 -10.089 Start of MODEL 12 1 H1 GLY 1 H GLY 1 6.283 -23.777 -19.768 2 HA2 GLY 1 1HA GLY 1 7.381 -24.997 -22.092 3 HA3 GLY 1 2HA GLY 1 7.325 -23.273 -21.756 4 H SER 2 H SER 2 9.161 -22.247 -21.226 5 HA SER 2 HA SER 2 11.644 -23.523 -21.557 6 HB2 SER 2 1HB SER 2 12.624 -21.391 -20.808 7 HB3 SER 2 2HB SER 2 11.325 -21.124 -21.970 8 HG SER 2 HG SER 2 11.088 -19.716 -20.229 9 H SER 3 H SER 3 13.420 -23.518 -19.933 10 HA SER 3 HA SER 3 12.432 -24.675 -17.439 11 HB2 SER 3 1HB SER 3 14.183 -25.786 -18.981 12 HB3 SER 3 2HB SER 3 15.316 -24.615 -18.305 13 HG SER 3 HG SER 3 13.734 -26.068 -16.525 14 H GLY 4 H GLY 4 13.601 -24.180 -15.413 15 HA2 GLY 4 1HA GLY 4 14.935 -22.697 -14.097 16 HA3 GLY 4 2HA GLY 4 14.760 -21.479 -15.351 17 H SER 5 H SER 5 13.937 -22.114 -12.297 18 HA SER 5 HA SER 5 11.764 -20.221 -12.333 19 HB2 SER 5 1HB SER 5 10.536 -22.294 -12.775 20 HB3 SER 5 2HB SER 5 11.274 -23.049 -11.362 21 HG SER 5 HG SER 5 9.403 -20.934 -11.459 22 H SER 6 H SER 6 11.505 -19.180 -10.390 23 HA SER 6 HA SER 6 13.217 -20.094 -8.173 24 HB2 SER 6 1HB SER 6 14.070 -18.064 -9.475 25 HB3 SER 6 2HB SER 6 12.697 -17.187 -8.799 26 HG SER 6 HG SER 6 13.650 -18.201 -6.718 27 H GLY 7 H GLY 7 12.251 -20.273 -6.247 28 HA2 GLY 7 1HA GLY 7 9.771 -18.780 -5.753 29 HA3 GLY 7 2HA GLY 7 9.747 -20.530 -5.594 30 H ALA 8 H ALA 8 9.891 -21.198 -3.570 31 HA ALA 8 HA ALA 8 10.470 -21.357 -1.375 32 HB1 ALA 8 1HB ALA 8 12.766 -19.566 -1.420 33 HB2 ALA 8 2HB ALA 8 12.671 -21.280 -1.011 34 HB3 ALA 8 3HB ALA 8 12.811 -20.782 -2.697 35 H GLY 9 H GLY 9 8.567 -19.434 -2.034 36 HA2 GLY 9 1HA GLY 9 9.252 -17.108 -0.370 37 HA3 GLY 9 2HA GLY 9 7.915 -17.192 -1.506 38 H ASP 10 H ASP 10 7.512 -16.243 1.034 39 HA ASP 10 HA ASP 10 5.534 -18.110 1.997 40 HB2 ASP 10 1HB ASP 10 7.981 -17.424 3.607 41 HB3 ASP 10 2HB ASP 10 6.464 -17.848 4.396 42 HA PRO 11 HA PRO 11 3.927 -13.913 2.362 43 HB2 PRO 11 1HB PRO 11 1.326 -14.686 2.469 44 HB3 PRO 11 2HB PRO 11 2.229 -14.559 0.955 45 HG2 PRO 11 1HG PRO 11 1.615 -16.986 2.597 46 HG3 PRO 11 2HG PRO 11 1.549 -16.780 0.837 47 HD2 PRO 11 1HD PRO 11 3.624 -17.991 2.085 48 HD3 PRO 11 2HD PRO 11 3.825 -17.049 0.594 49 H GLY 12 H GLY 12 3.073 -16.719 4.344 50 HA2 GLY 12 1HA GLY 12 1.731 -15.462 6.421 51 HA3 GLY 12 2HA GLY 12 2.700 -16.917 6.600 52 H LEU 13 H LEU 13 5.171 -15.587 5.768 53 HA LEU 13 HA LEU 13 5.772 -14.314 8.325 54 HB2 LEU 13 1HB LEU 13 7.700 -15.087 6.148 55 HB3 LEU 13 2HB LEU 13 8.072 -14.713 7.830 56 HG LEU 13 HG LEU 13 6.645 -17.161 6.796 57 HD11 LEU 13 1HD1 LEU 13 8.994 -17.307 6.403 58 HD12 LEU 13 2HD1 LEU 13 8.618 -18.306 7.807 59 HD13 LEU 13 3HD1 LEU 13 9.358 -16.721 8.026 60 HD21 LEU 13 1HD2 LEU 13 7.425 -16.623 9.646 61 HD22 LEU 13 2HD2 LEU 13 6.373 -17.889 9.010 62 HD23 LEU 13 3HD2 LEU 13 5.830 -16.210 9.016 63 H VAL 14 H VAL 14 4.343 -13.003 6.022 64 HA VAL 14 HA VAL 14 6.134 -10.675 5.787 65 HB VAL 14 HB VAL 14 4.287 -11.791 3.677 66 HG11 VAL 14 1HG1 VAL 14 3.948 -9.516 3.425 67 HG12 VAL 14 2HG1 VAL 14 5.586 -9.110 3.941 68 HG13 VAL 14 3HG1 VAL 14 5.311 -9.812 2.346 69 HG21 VAL 14 1HG2 VAL 14 7.267 -11.476 3.898 70 HG22 VAL 14 2HG2 VAL 14 6.337 -12.945 3.600 71 HG23 VAL 14 3HG2 VAL 14 6.457 -11.708 2.348 72 H SER 15 H SER 15 5.303 -8.794 6.444 73 HA SER 15 HA SER 15 2.412 -8.407 6.498 74 HB2 SER 15 1HB SER 15 4.180 -8.496 8.918 75 HB3 SER 15 2HB SER 15 2.781 -7.423 8.900 76 HG SER 15 HG SER 15 2.597 -10.171 8.252 77 H ALA 16 H ALA 16 1.876 -6.113 7.166 78 HA ALA 16 HA ALA 16 4.011 -4.249 6.372 79 HB1 ALA 16 1HB ALA 16 1.761 -3.023 5.430 80 HB2 ALA 16 2HB ALA 16 2.894 -3.959 4.454 81 HB3 ALA 16 3HB ALA 16 1.431 -4.720 5.079 82 H TYR 17 H TYR 17 4.153 -2.403 7.539 83 HA TYR 17 HA TYR 17 1.993 -1.788 9.433 84 HB2 TYR 17 1HB TYR 17 3.717 -1.262 11.154 85 HB3 TYR 17 2HB TYR 17 3.661 -2.967 10.722 86 HD1 TYR 17 1HD TYR 17 5.581 0.161 10.343 87 HD2 TYR 17 2HD TYR 17 5.538 -4.047 9.717 88 HE1 TYR 17 1HE TYR 17 7.990 0.216 9.850 89 HE2 TYR 17 2HE TYR 17 7.947 -4.004 9.223 90 HH TYR 17 HH TYR 17 9.784 -2.762 9.124 91 H GLY 18 H GLY 18 1.720 0.386 9.936 92 HA2 GLY 18 1HA GLY 18 3.160 2.581 9.720 93 HA3 GLY 18 2HA GLY 18 2.951 2.215 8.013 94 HA PRO 19 HA PRO 19 -0.682 4.680 9.847 95 HB2 PRO 19 1HB PRO 19 -0.109 7.092 8.741 96 HB3 PRO 19 2HB PRO 19 0.472 6.605 10.337 97 HG2 PRO 19 1HG PRO 19 1.904 6.572 7.708 98 HG3 PRO 19 2HG PRO 19 2.496 7.088 9.299 99 HD2 PRO 19 1HD PRO 19 3.088 4.667 8.238 100 HD3 PRO 19 2HD PRO 19 2.909 4.926 9.986 101 H GLY 20 H GLY 20 0.848 4.222 6.775 102 HA2 GLY 20 1HA GLY 20 -1.197 5.306 5.126 103 HA3 GLY 20 2HA GLY 20 0.042 4.166 4.622 104 H LEU 21 H LEU 21 -0.642 2.099 6.484 105 HA LEU 21 HA LEU 21 -2.710 0.828 4.989 106 HB2 LEU 21 1HB LEU 21 -1.539 -0.074 7.610 107 HB3 LEU 21 2HB LEU 21 -2.346 -1.067 6.399 108 HG LEU 21 HG LEU 21 0.177 0.366 5.685 109 HD11 LEU 21 1HD1 LEU 21 1.569 -1.174 6.669 110 HD12 LEU 21 2HD1 LEU 21 0.297 -2.384 6.832 111 HD13 LEU 21 3HD1 LEU 21 0.330 -0.989 7.910 112 HD21 LEU 21 1HD2 LEU 21 -1.377 -0.951 4.098 113 HD22 LEU 21 2HD2 LEU 21 -0.694 -2.381 4.872 114 HD23 LEU 21 3HD2 LEU 21 0.360 -1.248 4.026 115 H GLU 22 H GLU 22 -2.634 2.758 7.833 116 HA GLU 22 HA GLU 22 -5.295 1.870 8.663 117 HB2 GLU 22 1HB GLU 22 -3.095 3.413 9.955 118 HB3 GLU 22 2HB GLU 22 -4.742 3.717 10.488 119 HG2 GLU 22 1HG GLU 22 -3.757 0.911 10.324 120 HG3 GLU 22 2HG GLU 22 -3.268 1.928 11.678 121 H GLY 23 H GLY 23 -3.661 4.501 7.104 122 HA2 GLY 23 1HA GLY 23 -5.075 5.864 5.623 123 HA3 GLY 23 2HA GLY 23 -6.240 5.934 6.937 124 H GLY 24 H GLY 24 -6.244 8.202 6.932 125 HA2 GLY 24 1HA GLY 24 -4.694 9.503 8.771 126 HA3 GLY 24 2HA GLY 24 -3.813 9.693 7.262 127 H THR 25 H THR 25 -4.157 11.628 6.420 128 HA THR 25 HA THR 25 -6.902 12.700 6.454 129 HB THR 25 HB THR 25 -4.323 14.195 6.929 130 HG1 THR 25 1HG THR 25 -5.181 14.553 8.904 131 HG21 THR 25 1HG2 THR 25 -5.749 16.239 6.986 132 HG22 THR 25 2HG2 THR 25 -7.075 15.281 6.328 133 HG23 THR 25 3HG2 THR 25 -5.607 15.522 5.382 134 H THR 26 H THR 26 -7.398 14.189 4.710 135 HA THR 26 HA THR 26 -6.487 13.231 2.197 136 HB THR 26 HB THR 26 -7.819 15.234 1.304 137 HG1 THR 26 1HG THR 26 -9.232 16.149 2.908 138 HG21 THR 26 1HG2 THR 26 -9.988 14.170 1.893 139 HG22 THR 26 2HG2 THR 26 -9.136 13.168 3.068 140 HG23 THR 26 3HG2 THR 26 -8.771 13.017 1.349 141 H GLY 27 H GLY 27 -5.373 14.367 0.546 142 HA2 GLY 27 1HA GLY 27 -3.757 15.757 -0.315 143 HA3 GLY 27 2HA GLY 27 -4.202 16.920 0.926 144 H VAL 28 H VAL 28 -3.309 13.819 2.060 145 HA VAL 28 HA VAL 28 -0.608 14.809 2.708 146 HB VAL 28 HB VAL 28 -2.463 13.213 4.479 147 HG11 VAL 28 1HG1 VAL 28 -0.319 12.317 4.863 148 HG12 VAL 28 2HG1 VAL 28 0.449 13.903 4.771 149 HG13 VAL 28 3HG1 VAL 28 -0.572 13.495 6.151 150 HG21 VAL 28 1HG2 VAL 28 -3.072 15.170 5.333 151 HG22 VAL 28 2HG2 VAL 28 -1.390 15.544 5.709 152 HG23 VAL 28 3HG2 VAL 28 -2.066 16.000 4.146 153 H SER 29 H SER 29 0.978 13.562 1.984 154 HA SER 29 HA SER 29 0.529 11.161 0.589 155 HB2 SER 29 1HB SER 29 2.991 10.959 0.543 156 HB3 SER 29 2HB SER 29 2.462 12.590 0.129 157 HG SER 29 HG SER 29 2.806 12.997 2.488 158 H SER 30 H SER 30 -0.008 9.259 1.406 159 HA SER 30 HA SER 30 0.931 8.559 4.106 160 HB2 SER 30 1HB SER 30 -1.331 7.199 2.649 161 HB3 SER 30 2HB SER 30 -0.992 7.210 4.380 162 HG SER 30 HG SER 30 -1.637 9.335 4.478 163 H GLU 31 H GLU 31 2.329 6.941 4.345 164 HA GLU 31 HA GLU 31 2.592 4.963 2.187 165 HB2 GLU 31 1HB GLU 31 5.020 5.031 2.380 166 HB3 GLU 31 2HB GLU 31 4.394 6.617 1.954 167 HG2 GLU 31 1HG GLU 31 4.592 7.300 4.311 168 HG3 GLU 31 2HG GLU 31 5.296 5.728 4.683 169 H PHE 32 H PHE 32 4.170 3.145 3.017 170 HA PHE 32 HA PHE 32 4.065 2.598 5.829 171 HB2 PHE 32 1HB PHE 32 2.714 0.480 5.535 172 HB3 PHE 32 2HB PHE 32 1.801 1.979 5.409 173 HD1 PHE 32 1HD PHE 32 3.089 -0.922 3.604 174 HD2 PHE 32 2HD PHE 32 0.873 2.699 3.296 175 HE1 PHE 32 1HE PHE 32 2.243 -1.631 1.405 176 HE2 PHE 32 2HE PHE 32 0.022 1.995 1.097 177 HZ PHE 32 HZ PHE 32 0.706 -0.172 0.149 178 H ILE 33 H ILE 33 5.235 0.700 6.416 179 HA ILE 33 HA ILE 33 7.141 -0.115 4.345 180 HB ILE 33 HB ILE 33 7.250 -0.212 7.351 181 HG12 ILE 33 1HG1 ILE 33 8.906 1.142 5.215 182 HG13 ILE 33 2HG1 ILE 33 7.863 1.917 6.403 183 HG21 ILE 33 1HG2 ILE 33 9.586 -1.181 6.933 184 HG22 ILE 33 2HG2 ILE 33 8.206 -2.271 6.807 185 HG23 ILE 33 3HG2 ILE 33 8.965 -1.637 5.347 186 HD11 ILE 33 1HD1 ILE 33 9.935 2.262 7.310 187 HD12 ILE 33 2HD1 ILE 33 9.455 0.769 8.118 188 HD13 ILE 33 3HD1 ILE 33 10.562 0.713 6.746 189 H VAL 34 H VAL 34 7.155 -2.105 3.521 190 HA VAL 34 HA VAL 34 5.366 -4.108 4.711 191 HB VAL 34 HB VAL 34 6.577 -4.107 1.944 192 HG11 VAL 34 1HG1 VAL 34 4.143 -5.604 2.267 193 HG12 VAL 34 2HG1 VAL 34 5.723 -6.144 1.697 194 HG13 VAL 34 3HG1 VAL 34 5.358 -6.147 3.423 195 HG21 VAL 34 1HG2 VAL 34 4.206 -3.536 1.257 196 HG22 VAL 34 2HG2 VAL 34 3.918 -3.115 2.945 197 HG23 VAL 34 3HG2 VAL 34 5.131 -2.238 2.012 198 H ASN 35 H ASN 35 6.521 -5.241 6.175 199 HA ASN 35 HA ASN 35 9.274 -5.902 5.843 200 HB2 ASN 35 1HB ASN 35 8.645 -5.782 8.080 201 HB3 ASN 35 2HB ASN 35 7.137 -6.650 7.807 202 HD21 ASN 35 1HD2 ASN 35 10.633 -7.172 7.480 203 HD22 ASN 35 2HD2 ASN 35 10.624 -8.775 8.122 204 H THR 36 H THR 36 9.778 -7.155 4.136 205 HA THR 36 HA THR 36 8.325 -9.703 3.838 206 HB THR 36 HB THR 36 9.320 -9.649 1.465 207 HG1 THR 36 1HG THR 36 10.711 -7.962 1.492 208 HG21 THR 36 1HG2 THR 36 7.473 -7.513 1.230 209 HG22 THR 36 2HG2 THR 36 6.950 -8.520 2.580 210 HG23 THR 36 3HG2 THR 36 7.186 -9.235 0.985 211 H LEU 37 H LEU 37 11.076 -8.483 5.066 212 HA LEU 37 HA LEU 37 13.130 -10.065 3.991 213 HB2 LEU 37 1HB LEU 37 12.863 -9.034 6.811 214 HB3 LEU 37 2HB LEU 37 14.352 -9.571 6.035 215 HG LEU 37 HG LEU 37 12.790 -7.267 4.922 216 HD11 LEU 37 1HD1 LEU 37 13.191 -6.034 6.721 217 HD12 LEU 37 2HD1 LEU 37 14.918 -6.246 6.431 218 HD13 LEU 37 3HD1 LEU 37 14.060 -7.360 7.494 219 HD21 LEU 37 1HD2 LEU 37 15.189 -6.620 4.313 220 HD22 LEU 37 2HD2 LEU 37 14.464 -7.976 3.449 221 HD23 LEU 37 3HD2 LEU 37 15.613 -8.274 4.754 222 H ASN 38 H ASN 38 11.234 -10.565 6.973 223 HA ASN 38 HA ASN 38 12.219 -12.938 7.844 224 HB2 ASN 38 1HB ASN 38 9.292 -12.177 7.722 225 HB3 ASN 38 2HB ASN 38 9.974 -13.431 8.753 226 HD21 ASN 38 1HD2 ASN 38 12.194 -12.326 9.754 227 HD22 ASN 38 2HD2 ASN 38 11.817 -10.924 10.690 228 H ALA 39 H ALA 39 10.328 -12.399 4.982 229 HA ALA 39 HA ALA 39 9.639 -15.146 4.545 230 HB1 ALA 39 1HB ALA 39 9.671 -13.470 2.167 231 HB2 ALA 39 2HB ALA 39 8.336 -14.342 2.922 232 HB3 ALA 39 3HB ALA 39 8.788 -12.742 3.509 233 H GLY 40 H GLY 40 11.861 -12.930 2.831 234 HA2 GLY 40 1HA GLY 40 14.184 -14.095 2.698 235 HA3 GLY 40 2HA GLY 40 13.271 -15.278 1.772 236 H SER 41 H SER 41 12.148 -14.482 -0.174 237 HA SER 41 HA SER 41 12.799 -11.965 -1.311 238 HB2 SER 41 1HB SER 41 14.569 -14.285 -1.911 239 HB3 SER 41 2HB SER 41 14.129 -13.229 -3.252 240 HG SER 41 HG SER 41 15.467 -11.806 -2.501 241 H GLY 42 H GLY 42 11.747 -11.602 -3.289 242 HA2 GLY 42 1HA GLY 42 10.653 -13.364 -5.056 243 HA3 GLY 42 2HA GLY 42 9.487 -13.324 -3.742 244 H ALA 43 H ALA 43 7.951 -12.464 -5.237 245 HA ALA 43 HA ALA 43 8.449 -9.682 -6.050 246 HB1 ALA 43 1HB ALA 43 6.047 -10.547 -7.197 247 HB2 ALA 43 2HB ALA 43 7.605 -10.333 -7.997 248 HB3 ALA 43 3HB ALA 43 7.162 -11.907 -7.335 249 H LEU 44 H LEU 44 6.693 -8.140 -5.824 250 HA LEU 44 HA LEU 44 4.775 -8.798 -3.699 251 HB2 LEU 44 1HB LEU 44 6.499 -7.647 -2.555 252 HB3 LEU 44 2HB LEU 44 6.632 -6.438 -3.831 253 HG LEU 44 HG LEU 44 4.264 -5.735 -3.170 254 HD11 LEU 44 1HD1 LEU 44 4.760 -7.866 -1.260 255 HD12 LEU 44 2HD1 LEU 44 3.251 -7.065 -1.699 256 HD13 LEU 44 3HD1 LEU 44 4.309 -6.348 -0.483 257 HD21 LEU 44 1HD2 LEU 44 6.575 -4.683 -2.567 258 HD22 LEU 44 2HD2 LEU 44 6.200 -5.266 -0.945 259 HD23 LEU 44 3HD2 LEU 44 5.112 -4.133 -1.749 260 H SER 45 H SER 45 2.797 -7.770 -3.819 261 HA SER 45 HA SER 45 2.355 -6.113 -6.216 262 HB2 SER 45 1HB SER 45 1.404 -8.509 -6.228 263 HB3 SER 45 2HB SER 45 0.249 -7.916 -5.034 264 HG SER 45 HG SER 45 0.498 -7.295 -7.744 265 H VAL 46 H VAL 46 1.427 -4.192 -5.900 266 HA VAL 46 HA VAL 46 -0.024 -3.715 -3.386 267 HB VAL 46 HB VAL 46 1.893 -1.723 -4.597 268 HG11 VAL 46 1HG1 VAL 46 -0.208 -1.291 -2.922 269 HG12 VAL 46 2HG1 VAL 46 1.116 -1.520 -1.777 270 HG13 VAL 46 3HG1 VAL 46 1.229 -0.272 -3.019 271 HG21 VAL 46 1HG2 VAL 46 3.081 -3.715 -3.744 272 HG22 VAL 46 2HG2 VAL 46 3.437 -2.259 -2.815 273 HG23 VAL 46 3HG2 VAL 46 2.323 -3.465 -2.171 274 H THR 47 H THR 47 -1.954 -2.818 -3.682 275 HA THR 47 HA THR 47 -2.425 -1.008 -5.908 276 HB THR 47 HB THR 47 -4.577 -2.303 -6.458 277 HG1 THR 47 1HG THR 47 -4.806 -4.002 -5.206 278 HG21 THR 47 1HG2 THR 47 -3.531 -3.373 -8.230 279 HG22 THR 47 2HG2 THR 47 -2.129 -3.829 -7.261 280 HG23 THR 47 3HG2 THR 47 -2.338 -2.156 -7.778 281 H ILE 48 H ILE 48 -4.032 0.461 -5.520 282 HA ILE 48 HA ILE 48 -5.475 0.185 -2.964 283 HB ILE 48 HB ILE 48 -4.475 2.748 -4.211 284 HG12 ILE 48 1HG1 ILE 48 -3.569 1.455 -1.637 285 HG13 ILE 48 2HG1 ILE 48 -2.743 1.208 -3.172 286 HG21 ILE 48 1HG2 ILE 48 -5.148 3.623 -1.891 287 HG22 ILE 48 2HG2 ILE 48 -6.423 3.322 -3.070 288 HG23 ILE 48 3HG2 ILE 48 -6.124 2.159 -1.779 289 HD11 ILE 48 1HD1 ILE 48 -2.970 3.699 -1.537 290 HD12 ILE 48 2HD1 ILE 48 -1.526 2.892 -2.151 291 HD13 ILE 48 3HD1 ILE 48 -2.585 3.768 -3.257 292 H ASP 49 H ASP 49 -7.621 0.696 -2.921 293 HA ASP 49 HA ASP 49 -8.842 1.697 -5.400 294 HB2 ASP 49 1HB ASP 49 -8.970 -0.895 -4.960 295 HB3 ASP 49 2HB ASP 49 -10.240 -0.434 -3.830 296 H GLY 50 H GLY 50 -9.764 3.567 -4.880 297 HA2 GLY 50 1HA GLY 50 -11.453 3.655 -2.471 298 HA3 GLY 50 2HA GLY 50 -10.261 4.919 -2.738 299 HA PRO 51 HA PRO 51 -14.329 6.199 -4.622 300 HB2 PRO 51 1HB PRO 51 -14.430 8.617 -3.391 301 HB3 PRO 51 2HB PRO 51 -15.074 7.141 -2.663 302 HG2 PRO 51 1HG PRO 51 -12.457 8.509 -2.172 303 HG3 PRO 51 2HG PRO 51 -13.583 7.794 -1.003 304 HD2 PRO 51 1HD PRO 51 -11.342 6.520 -1.834 305 HD3 PRO 51 2HD PRO 51 -12.827 5.652 -1.394 306 H SER 52 H SER 52 -11.103 7.233 -4.566 307 HA SER 52 HA SER 52 -11.407 8.570 -7.104 308 HB2 SER 52 1HB SER 52 -10.493 10.079 -4.650 309 HB3 SER 52 2HB SER 52 -10.178 10.629 -6.295 310 HG SER 52 HG SER 52 -12.241 11.114 -6.549 311 H LYS 53 H LYS 53 -9.793 7.881 -8.327 312 HA LYS 53 HA LYS 53 -7.797 6.206 -7.771 313 HB2 LYS 53 1HB LYS 53 -8.013 8.426 -9.734 314 HB3 LYS 53 2HB LYS 53 -6.427 7.696 -9.529 315 HG2 LYS 53 1HG LYS 53 -8.730 5.870 -9.903 316 HG3 LYS 53 2HG LYS 53 -8.187 6.806 -11.298 317 HD2 LYS 53 1HD LYS 53 -6.848 4.972 -11.532 318 HD3 LYS 53 2HD LYS 53 -5.815 5.951 -10.487 319 HE2 LYS 53 1HE LYS 53 -5.935 3.648 -9.693 320 HE3 LYS 53 2HE LYS 53 -6.660 4.757 -8.530 321 HZ1 LYS 53 1HZ LYS 53 -7.943 2.678 -8.953 322 HZ2 LYS 53 2HZ LYS 53 -8.238 3.231 -10.523 323 HZ3 LYS 53 3HZ LYS 53 -8.822 4.103 -9.196 324 H VAL 54 H VAL 54 -5.773 6.176 -6.897 325 HA VAL 54 HA VAL 54 -4.797 8.689 -5.704 326 HB VAL 54 HB VAL 54 -3.926 7.395 -3.803 327 HG11 VAL 54 1HG1 VAL 54 -6.157 8.477 -3.720 328 HG12 VAL 54 2HG1 VAL 54 -6.881 6.937 -4.189 329 HG13 VAL 54 3HG1 VAL 54 -6.016 7.076 -2.658 330 HG21 VAL 54 1HG2 VAL 54 -5.014 5.055 -3.547 331 HG22 VAL 54 2HG2 VAL 54 -5.163 5.120 -5.303 332 HG23 VAL 54 3HG2 VAL 54 -3.573 5.229 -4.548 333 H GLN 55 H GLN 55 -2.941 9.264 -6.605 334 HA GLN 55 HA GLN 55 -1.351 7.504 -8.164 335 HB2 GLN 55 1HB GLN 55 -1.615 10.130 -8.210 336 HB3 GLN 55 2HB GLN 55 -0.250 10.071 -7.103 337 HG2 GLN 55 1HG GLN 55 -0.289 8.801 -9.830 338 HG3 GLN 55 2HG GLN 55 0.389 10.388 -9.470 339 HE21 GLN 55 1HE2 GLN 55 2.171 10.482 -7.967 340 HE22 GLN 55 2HE2 GLN 55 3.260 9.146 -7.851 341 H LEU 56 H LEU 56 -0.351 5.849 -7.184 342 HA LEU 56 HA LEU 56 1.019 6.299 -4.638 343 HB2 LEU 56 1HB LEU 56 1.235 3.866 -4.549 344 HB3 LEU 56 2HB LEU 56 -0.441 4.375 -4.745 345 HG LEU 56 HG LEU 56 0.136 3.939 -7.306 346 HD11 LEU 56 1HD1 LEU 56 2.510 3.253 -6.406 347 HD12 LEU 56 2HD1 LEU 56 1.751 2.380 -7.737 348 HD13 LEU 56 3HD1 LEU 56 1.703 1.714 -6.105 349 HD21 LEU 56 1HD2 LEU 56 -0.348 1.384 -6.035 350 HD22 LEU 56 2HD2 LEU 56 -1.412 2.361 -7.048 351 HD23 LEU 56 3HD2 LEU 56 -1.318 2.669 -5.313 352 H ASP 57 H ASP 57 3.192 5.400 -4.343 353 HA ASP 57 HA ASP 57 4.776 5.241 -6.805 354 HB2 ASP 57 1HB ASP 57 4.761 7.579 -5.617 355 HB3 ASP 57 2HB ASP 57 5.854 6.794 -4.480 356 H CYS 58 H CYS 58 5.855 3.394 -6.777 357 HA CYS 58 HA CYS 58 6.366 2.038 -4.258 358 HB2 CYS 58 1HB CYS 58 5.451 0.849 -6.280 359 HB3 CYS 58 2HB CYS 58 7.013 1.091 -7.054 360 HG CYS 58 HG CYS 58 7.541 -0.271 -4.131 361 H ARG 59 H ARG 59 8.284 1.911 -3.272 362 HA ARG 59 HA ARG 59 10.697 2.671 -4.766 363 HB2 ARG 59 1HB ARG 59 9.761 3.765 -2.120 364 HB3 ARG 59 2HB ARG 59 11.451 3.821 -2.603 365 HG2 ARG 59 1HG ARG 59 10.544 4.967 -4.742 366 HG3 ARG 59 2HG ARG 59 9.107 5.261 -3.761 367 HD2 ARG 59 1HD ARG 59 11.773 5.930 -2.620 368 HD3 ARG 59 2HD ARG 59 11.096 6.993 -3.853 369 HE ARG 59 HE ARG 59 9.490 7.683 -2.350 370 HH11 ARG 59 1HH1 ARG 59 11.239 4.960 -1.065 371 HH12 ARG 59 2HH1 ARG 59 10.582 5.124 0.530 372 HH21 ARG 59 1HH2 ARG 59 8.618 7.909 -0.254 373 HH22 ARG 59 2HH2 ARG 59 9.090 6.801 0.990 374 H GLU 60 H GLU 60 12.641 2.335 -3.016 375 HA GLU 60 HA GLU 60 12.309 -0.437 -2.076 376 HB2 GLU 60 1HB GLU 60 14.705 1.000 -3.205 377 HB3 GLU 60 2HB GLU 60 14.847 -0.518 -2.331 378 HG2 GLU 60 1HG GLU 60 13.510 -1.653 -3.962 379 HG3 GLU 60 2HG GLU 60 13.154 -0.137 -4.787 380 H CYS 61 H CYS 61 12.703 -0.902 0.004 381 HA CYS 61 HA CYS 61 13.977 1.168 1.667 382 HB2 CYS 61 1HB CYS 61 12.424 0.644 3.474 383 HB3 CYS 61 2HB CYS 61 11.538 1.136 2.036 384 HG CYS 61 HG CYS 61 10.191 -0.948 3.413 385 HA PRO 62 HA PRO 62 16.683 -1.962 3.132 386 HB2 PRO 62 1HB PRO 62 17.192 -1.056 5.640 387 HB3 PRO 62 2HB PRO 62 17.843 -0.285 4.189 388 HG2 PRO 62 1HG PRO 62 15.473 0.490 5.845 389 HG3 PRO 62 2HG PRO 62 16.735 1.522 5.147 390 HD2 PRO 62 1HD PRO 62 14.289 1.244 4.018 391 HD3 PRO 62 2HD PRO 62 15.758 1.518 3.059 392 H GLU 63 H GLU 63 13.565 -1.673 4.196 393 HA GLU 63 HA GLU 63 13.843 -3.918 6.083 394 HB2 GLU 63 1HB GLU 63 11.696 -1.799 5.901 395 HB3 GLU 63 2HB GLU 63 11.614 -3.199 6.962 396 HG2 GLU 63 1HG GLU 63 13.974 -1.386 7.111 397 HG3 GLU 63 2HG GLU 63 12.452 -0.903 7.859 398 H GLY 64 H GLY 64 12.892 -3.113 2.995 399 HA2 GLY 64 1HA GLY 64 12.193 -5.429 1.957 400 HA3 GLY 64 2HA GLY 64 10.729 -5.078 2.863 401 H HIS 65 H HIS 65 9.247 -3.693 2.035 402 HA HIS 65 HA HIS 65 9.970 -2.197 -0.388 403 HB2 HIS 65 1HB HIS 65 7.470 -3.867 -0.053 404 HB3 HIS 65 2HB HIS 65 7.846 -2.849 -1.439 405 HD1 HIS 65 1HD HIS 65 8.629 -4.194 -3.344 406 HD2 HIS 65 2HD HIS 65 9.820 -5.837 0.281 407 HE1 HIS 65 1HE HIS 65 9.928 -6.264 -3.938 408 HE2 HIS 65 2HE HIS 65 10.565 -7.287 -1.727 409 H VAL 66 H VAL 66 8.877 -0.265 -0.705 410 HA VAL 66 HA VAL 66 6.956 0.542 1.365 411 HB VAL 66 HB VAL 66 9.301 1.374 1.877 412 HG11 VAL 66 1HG1 VAL 66 8.962 3.563 -0.061 413 HG12 VAL 66 2HG1 VAL 66 10.427 2.748 0.490 414 HG13 VAL 66 3HG1 VAL 66 9.414 2.003 -0.748 415 HG21 VAL 66 1HG2 VAL 66 7.861 3.865 1.596 416 HG22 VAL 66 2HG2 VAL 66 6.807 2.570 2.165 417 HG23 VAL 66 3HG2 VAL 66 8.278 2.965 3.054 418 H VAL 67 H VAL 67 5.346 1.896 0.691 419 HA VAL 67 HA VAL 67 5.468 2.935 -2.052 420 HB VAL 67 HB VAL 67 3.164 1.345 -0.914 421 HG11 VAL 67 1HG1 VAL 67 3.375 3.187 -3.235 422 HG12 VAL 67 2HG1 VAL 67 2.414 1.719 -3.423 423 HG13 VAL 67 3HG1 VAL 67 2.016 2.879 -2.154 424 HG21 VAL 67 1HG2 VAL 67 3.823 0.234 -3.315 425 HG22 VAL 67 2HG2 VAL 67 5.403 0.714 -2.695 426 HG23 VAL 67 3HG2 VAL 67 4.370 -0.355 -1.746 427 H THR 68 H THR 68 4.770 4.970 -2.220 428 HA THR 68 HA THR 68 3.277 6.108 0.052 429 HB THR 68 HB THR 68 5.025 7.661 -1.856 430 HG1 THR 68 1HG THR 68 5.659 6.188 0.431 431 HG21 THR 68 1HG2 THR 68 4.436 8.545 0.912 432 HG22 THR 68 2HG2 THR 68 3.114 8.621 -0.252 433 HG23 THR 68 3HG2 THR 68 4.615 9.491 -0.564 434 H TYR 69 H TYR 69 1.320 6.919 -0.334 435 HA TYR 69 HA TYR 69 0.602 7.606 -3.105 436 HB2 TYR 69 1HB TYR 69 -1.465 6.500 -2.959 437 HB3 TYR 69 2HB TYR 69 -0.326 5.371 -2.234 438 HD1 TYR 69 1HD TYR 69 -2.896 7.923 -1.435 439 HD2 TYR 69 2HD TYR 69 -0.603 4.634 -0.013 440 HE1 TYR 69 1HE TYR 69 -4.276 7.849 0.600 441 HE2 TYR 69 2HE TYR 69 -1.976 4.550 2.025 442 HH TYR 69 HH TYR 69 -3.564 5.572 3.219 443 H THR 70 H THR 70 -1.392 8.985 -3.208 444 HA THR 70 HA THR 70 -1.638 10.735 -0.856 445 HB THR 70 HB THR 70 -1.390 11.678 -3.719 446 HG1 THR 70 1HG THR 70 0.601 11.068 -2.659 447 HG21 THR 70 1HG2 THR 70 -1.337 13.548 -1.415 448 HG22 THR 70 2HG2 THR 70 -2.904 12.890 -1.888 449 HG23 THR 70 3HG2 THR 70 -1.937 13.790 -3.056 450 HA PRO 71 HA PRO 71 -5.932 9.820 -1.629 451 HB2 PRO 71 1HB PRO 71 -6.901 11.290 0.437 452 HB3 PRO 71 2HB PRO 71 -6.158 9.701 0.654 453 HG2 PRO 71 1HG PRO 71 -4.966 12.419 1.045 454 HG3 PRO 71 2HG PRO 71 -4.813 10.973 2.061 455 HD2 PRO 71 1HD PRO 71 -2.885 11.745 0.323 456 HD3 PRO 71 2HD PRO 71 -3.199 10.040 0.706 457 H MET 72 H MET 72 -7.753 10.917 -2.413 458 HA MET 72 HA MET 72 -7.352 13.771 -3.021 459 HB2 MET 72 1HB MET 72 -8.085 11.507 -4.806 460 HB3 MET 72 2HB MET 72 -8.877 13.051 -5.093 461 HG2 MET 72 1HG MET 72 -6.437 13.982 -4.996 462 HG3 MET 72 2HG MET 72 -6.007 12.313 -5.363 463 HE1 MET 72 1HE MET 72 -7.734 11.701 -8.785 464 HE2 MET 72 2HE MET 72 -6.417 11.157 -7.746 465 HE3 MET 72 3HE MET 72 -8.073 11.170 -7.138 466 H ALA 73 H ALA 73 -9.315 11.398 -1.645 467 HA ALA 73 HA ALA 73 -11.359 13.349 -1.037 468 HB1 ALA 73 1HB ALA 73 -12.763 12.740 -2.652 469 HB2 ALA 73 2HB ALA 73 -11.761 11.360 -3.101 470 HB3 ALA 73 3HB ALA 73 -12.942 11.206 -1.801 471 HA PRO 74 HA PRO 74 -11.313 11.087 2.742 472 HB2 PRO 74 1HB PRO 74 -13.654 11.974 3.792 473 HB3 PRO 74 2HB PRO 74 -12.200 12.975 3.705 474 HG2 PRO 74 1HG PRO 74 -14.585 12.936 1.896 475 HG3 PRO 74 2HG PRO 74 -13.693 14.326 2.542 476 HD2 PRO 74 1HD PRO 74 -13.325 13.402 0.024 477 HD3 PRO 74 2HD PRO 74 -12.018 14.142 0.970 478 H GLY 75 H GLY 75 -11.608 8.938 2.654 479 HA2 GLY 75 1HA GLY 75 -14.191 7.808 2.946 480 HA3 GLY 75 2HA GLY 75 -13.619 7.574 1.300 481 H ASN 76 H ASN 76 -13.423 5.359 1.431 482 HA ASN 76 HA ASN 76 -11.344 4.379 3.276 483 HB2 ASN 76 1HB ASN 76 -13.136 3.184 4.056 484 HB3 ASN 76 2HB ASN 76 -13.988 3.250 2.516 485 HD21 ASN 76 1HD2 ASN 76 -12.908 1.973 0.734 486 HD22 ASN 76 2HD2 ASN 76 -12.306 0.412 1.164 487 H TYR 77 H TYR 77 -9.582 3.569 2.354 488 HA TYR 77 HA TYR 77 -9.711 2.845 -0.499 489 HB2 TYR 77 1HB TYR 77 -7.383 3.903 1.116 490 HB3 TYR 77 2HB TYR 77 -7.281 3.382 -0.562 491 HD1 TYR 77 1HD TYR 77 -8.819 5.885 1.694 492 HD2 TYR 77 2HD TYR 77 -7.907 4.828 -2.325 493 HE1 TYR 77 1HE TYR 77 -9.453 8.146 0.962 494 HE2 TYR 77 2HE TYR 77 -8.537 7.086 -3.068 495 HH TYR 77 HH TYR 77 -10.024 8.952 -2.227 496 H LEU 78 H LEU 78 -9.532 0.754 -0.910 497 HA LEU 78 HA LEU 78 -8.658 -1.098 1.111 498 HB2 LEU 78 1HB LEU 78 -10.515 -1.404 -0.651 499 HB3 LEU 78 2HB LEU 78 -9.198 -1.801 -1.752 500 HG LEU 78 HG LEU 78 -10.082 -3.853 -0.980 501 HD11 LEU 78 1HD1 LEU 78 -7.733 -3.510 0.840 502 HD12 LEU 78 2HD1 LEU 78 -7.533 -3.439 -0.910 503 HD13 LEU 78 3HD1 LEU 78 -8.184 -4.894 -0.155 504 HD21 LEU 78 1HD2 LEU 78 -11.286 -2.919 0.969 505 HD22 LEU 78 2HD2 LEU 78 -9.757 -2.848 1.845 506 HD23 LEU 78 3HD2 LEU 78 -10.414 -4.406 1.343 507 H ILE 79 H ILE 79 -6.571 -1.415 1.497 508 HA ILE 79 HA ILE 79 -4.640 -1.143 -0.688 509 HB ILE 79 HB ILE 79 -4.204 -1.344 2.294 510 HG12 ILE 79 1HG1 ILE 79 -3.719 1.004 0.456 511 HG13 ILE 79 2HG1 ILE 79 -5.212 0.786 1.363 512 HG21 ILE 79 1HG2 ILE 79 -1.886 -1.010 1.907 513 HG22 ILE 79 2HG2 ILE 79 -2.392 -2.336 0.861 514 HG23 ILE 79 3HG2 ILE 79 -2.147 -0.725 0.186 515 HD11 ILE 79 1HD1 ILE 79 -3.996 0.907 3.446 516 HD12 ILE 79 2HD1 ILE 79 -2.468 1.028 2.573 517 HD13 ILE 79 3HD1 ILE 79 -3.656 2.327 2.457 518 H ALA 80 H ALA 80 -4.531 -3.013 -1.800 519 HA ALA 80 HA ALA 80 -4.512 -5.560 -0.386 520 HB1 ALA 80 1HB ALA 80 -4.447 -4.961 -3.341 521 HB2 ALA 80 2HB ALA 80 -4.589 -6.564 -2.619 522 HB3 ALA 80 3HB ALA 80 -5.875 -5.378 -2.393 523 H ILE 81 H ILE 81 -2.748 -6.770 -0.032 524 HA ILE 81 HA ILE 81 -0.251 -6.056 -1.409 525 HB ILE 81 HB ILE 81 -0.542 -6.552 1.555 526 HG12 ILE 81 1HG1 ILE 81 0.517 -4.118 0.110 527 HG13 ILE 81 2HG1 ILE 81 -1.145 -4.268 0.672 528 HG21 ILE 81 1HG2 ILE 81 1.468 -7.590 1.033 529 HG22 ILE 81 2HG2 ILE 81 1.857 -6.422 -0.229 530 HG23 ILE 81 3HG2 ILE 81 1.968 -5.956 1.468 531 HD11 ILE 81 1HD1 ILE 81 0.870 -4.809 2.719 532 HD12 ILE 81 2HD1 ILE 81 0.886 -3.163 2.086 533 HD13 ILE 81 3HD1 ILE 81 -0.591 -3.824 2.788 534 H LYS 82 H LYS 82 0.451 -7.773 -2.475 535 HA LYS 82 HA LYS 82 -0.032 -10.444 -1.327 536 HB2 LYS 82 1HB LYS 82 0.375 -9.758 -4.242 537 HB3 LYS 82 2HB LYS 82 -0.050 -11.331 -3.580 538 HG2 LYS 82 1HG LYS 82 -2.117 -10.023 -2.633 539 HG3 LYS 82 2HG LYS 82 -1.733 -8.905 -3.944 540 HD2 LYS 82 1HD LYS 82 -1.651 -11.073 -5.392 541 HD3 LYS 82 2HD LYS 82 -2.608 -11.762 -4.078 542 HE2 LYS 82 1HE LYS 82 -4.269 -9.993 -4.357 543 HE3 LYS 82 2HE LYS 82 -3.307 -9.285 -5.654 544 HZ1 LYS 82 1HZ LYS 82 -5.181 -11.403 -5.781 545 HZ2 LYS 82 2HZ LYS 82 -3.673 -11.937 -6.330 546 HZ3 LYS 82 3HZ LYS 82 -4.405 -10.590 -7.046 547 H TYR 83 H TYR 83 1.610 -12.085 -1.855 548 HA TYR 83 HA TYR 83 4.202 -11.283 -2.745 549 HB2 TYR 83 1HB TYR 83 4.056 -10.340 -0.387 550 HB3 TYR 83 2HB TYR 83 4.014 -12.006 0.179 551 HD1 TYR 83 2HD TYR 83 6.076 -9.527 -1.643 552 HD2 TYR 83 1HD TYR 83 5.999 -13.279 0.363 553 HE1 TYR 83 2HE TYR 83 8.534 -9.596 -1.689 554 HE2 TYR 83 1HE TYR 83 8.457 -13.358 0.324 555 HH TYR 83 HH TYR 83 10.367 -11.005 0.021 556 H GLY 84 H GLY 84 5.470 -13.022 -3.262 557 HA2 GLY 84 1HA GLY 84 5.668 -15.212 -4.023 558 HA3 GLY 84 2HA GLY 84 5.696 -15.502 -2.290 559 H GLY 85 H GLY 85 3.031 -14.515 -4.430 560 HA2 GLY 85 1HA GLY 85 1.705 -16.803 -4.915 561 HA3 GLY 85 2HA GLY 85 1.332 -16.529 -3.220 562 HA PRO 86 HA PRO 86 -1.283 -13.893 -6.292 563 HB2 PRO 86 1HB PRO 86 -3.339 -15.583 -6.829 564 HB3 PRO 86 2HB PRO 86 -1.896 -15.473 -7.843 565 HG2 PRO 86 1HG PRO 86 -2.575 -17.478 -5.726 566 HG3 PRO 86 2HG PRO 86 -1.856 -17.740 -7.326 567 HD2 PRO 86 1HD PRO 86 -0.382 -17.695 -5.055 568 HD3 PRO 86 2HD PRO 86 0.252 -17.135 -6.616 569 H GLN 87 H GLN 87 -1.644 -15.741 -3.464 570 HA GLN 87 HA GLN 87 -4.218 -14.561 -2.762 571 HB2 GLN 87 1HB GLN 87 -2.467 -16.593 -1.378 572 HB3 GLN 87 2HB GLN 87 -3.952 -15.960 -0.680 573 HG2 GLN 87 1HG GLN 87 -5.221 -16.843 -2.569 574 HG3 GLN 87 2HG GLN 87 -3.733 -17.474 -3.272 575 HE21 GLN 87 1HE2 GLN 87 -3.116 -19.456 -2.734 576 HE22 GLN 87 2HE2 GLN 87 -3.786 -20.403 -1.455 577 H HIS 88 H HIS 88 -4.526 -13.117 -1.100 578 HA HIS 88 HA HIS 88 -2.555 -11.220 -0.599 579 HB2 HIS 88 1HB HIS 88 -5.096 -11.890 0.883 580 HB3 HIS 88 2HB HIS 88 -4.072 -10.528 1.331 581 HD1 HIS 88 1HD HIS 88 -5.066 -8.448 0.466 582 HD2 HIS 88 2HD HIS 88 -5.549 -11.600 -2.198 583 HE1 HIS 88 1HE HIS 88 -6.242 -7.468 -1.529 584 HE2 HIS 88 2HE HIS 88 -6.600 -9.412 -3.091 585 H ILE 89 H ILE 89 -1.287 -10.742 1.220 586 HA ILE 89 HA ILE 89 -0.195 -13.042 2.534 587 HB ILE 89 HB ILE 89 1.304 -11.445 3.658 588 HG12 ILE 89 1HG1 ILE 89 0.077 -9.222 2.062 589 HG13 ILE 89 2HG1 ILE 89 -0.591 -9.640 3.636 590 HG21 ILE 89 1HG2 ILE 89 1.212 -12.092 0.971 591 HG22 ILE 89 2HG2 ILE 89 1.505 -10.354 0.980 592 HG23 ILE 89 3HG2 ILE 89 2.597 -11.436 1.843 593 HD11 ILE 89 1HD1 ILE 89 0.888 -7.982 4.185 594 HD12 ILE 89 2HD1 ILE 89 1.884 -9.420 4.421 595 HD13 ILE 89 3HD1 ILE 89 2.053 -8.461 2.950 596 H VAL 90 H VAL 90 0.183 -13.029 4.933 597 HA VAL 90 HA VAL 90 -2.161 -13.266 6.348 598 HB VAL 90 HB VAL 90 -0.031 -14.189 7.132 599 HG11 VAL 90 1HG1 VAL 90 0.835 -11.660 8.377 600 HG12 VAL 90 2HG1 VAL 90 1.790 -12.974 7.686 601 HG13 VAL 90 3HG1 VAL 90 1.046 -11.772 6.630 602 HG21 VAL 90 1HG2 VAL 90 -0.824 -14.286 9.217 603 HG22 VAL 90 2HG2 VAL 90 -0.620 -12.551 9.464 604 HG23 VAL 90 3HG2 VAL 90 -2.073 -13.165 8.676 605 H GLY 91 H GLY 91 -3.647 -11.812 6.878 606 HA2 GLY 91 1HA GLY 91 -4.275 -9.926 8.233 607 HA3 GLY 91 2HA GLY 91 -2.748 -9.166 7.808 608 H SER 92 H SER 92 -2.731 -9.455 5.068 609 HA SER 92 HA SER 92 -4.391 -7.309 4.272 610 HB2 SER 92 1HB SER 92 -2.588 -9.216 2.810 611 HB3 SER 92 2HB SER 92 -3.616 -8.100 1.912 612 HG SER 92 HG SER 92 -2.569 -6.392 2.840 613 HA PRO 93 HA PRO 93 -5.034 -6.711 2.008 614 HB2 PRO 93 1HB PRO 93 -7.414 -5.463 1.622 615 HB3 PRO 93 2HB PRO 93 -6.730 -6.608 0.462 616 HG2 PRO 93 1HG PRO 93 -8.833 -7.051 2.546 617 HG3 PRO 93 2HG PRO 93 -8.785 -7.618 0.866 618 HD2 PRO 93 1HD PRO 93 -8.140 -9.209 2.961 619 HD3 PRO 93 2HD PRO 93 -7.375 -9.372 1.367 620 H PHE 94 H PHE 94 -5.406 -4.390 2.673 621 HA PHE 94 HA PHE 94 -6.137 -4.259 5.525 622 HB2 PHE 94 1HB PHE 94 -3.902 -2.886 4.033 623 HB3 PHE 94 2HB PHE 94 -4.439 -2.367 5.627 624 HD1 PHE 94 2HD PHE 94 -4.371 -4.083 7.514 625 HD2 PHE 94 1HD PHE 94 -2.346 -4.595 3.805 626 HE1 PHE 94 2HE PHE 94 -2.892 -5.751 8.555 627 HE2 PHE 94 1HE PHE 94 -0.864 -6.264 4.840 628 HZ PHE 94 HZ PHE 94 -1.135 -6.843 7.219 629 H LYS 95 H LYS 95 -7.473 -2.659 6.181 630 HA LYS 95 HA LYS 95 -8.629 -0.971 4.087 631 HB2 LYS 95 1HB LYS 95 -9.924 -2.498 5.822 632 HB3 LYS 95 2HB LYS 95 -9.742 -1.086 6.855 633 HG2 LYS 95 1HG LYS 95 -11.035 0.257 5.450 634 HG3 LYS 95 2HG LYS 95 -10.880 -0.861 4.092 635 HD2 LYS 95 1HD LYS 95 -12.222 -1.731 6.623 636 HD3 LYS 95 2HD LYS 95 -13.105 -0.776 5.429 637 HE2 LYS 95 1HE LYS 95 -13.580 -2.989 4.853 638 HE3 LYS 95 2HE LYS 95 -12.308 -2.517 3.728 639 HZ1 LYS 95 1HZ LYS 95 -10.777 -3.844 4.754 640 HZ2 LYS 95 2HZ LYS 95 -12.173 -4.764 5.009 641 HZ3 LYS 95 3HZ LYS 95 -11.555 -3.802 6.256 642 H ALA 96 H ALA 96 -8.279 1.153 3.994 643 HA ALA 96 HA ALA 96 -7.112 2.479 6.354 644 HB1 ALA 96 1HB ALA 96 -6.436 2.976 3.456 645 HB2 ALA 96 2HB ALA 96 -5.807 3.890 4.828 646 HB3 ALA 96 3HB ALA 96 -5.407 2.182 4.649 647 H LYS 97 H LYS 97 -8.119 4.260 7.046 648 HA LYS 97 HA LYS 97 -10.230 5.397 5.334 649 HB2 LYS 97 1HB LYS 97 -11.100 4.368 7.370 650 HB3 LYS 97 2HB LYS 97 -10.014 5.343 8.350 651 HG2 LYS 97 1HG LYS 97 -12.023 6.462 8.543 652 HG3 LYS 97 2HG LYS 97 -11.205 7.356 7.259 653 HD2 LYS 97 1HD LYS 97 -13.302 7.067 6.347 654 HD3 LYS 97 2HD LYS 97 -12.445 5.668 5.694 655 HE2 LYS 97 1HE LYS 97 -14.422 4.737 6.461 656 HE3 LYS 97 2HE LYS 97 -13.318 4.454 7.807 657 HZ1 LYS 97 1HZ LYS 97 -14.322 6.840 8.453 658 HZ2 LYS 97 2HZ LYS 97 -14.970 5.373 8.990 659 HZ3 LYS 97 3HZ LYS 97 -15.653 6.162 7.659 660 H VAL 98 H VAL 98 -10.094 7.471 4.747 661 HA VAL 98 HA VAL 98 -8.097 9.165 6.104 662 HB VAL 98 HB VAL 98 -8.891 9.318 3.193 663 HG11 VAL 98 1HG1 VAL 98 -6.808 10.769 4.817 664 HG12 VAL 98 2HG1 VAL 98 -6.893 10.805 3.054 665 HG13 VAL 98 3HG1 VAL 98 -8.217 11.463 4.016 666 HG21 VAL 98 1HG2 VAL 98 -6.494 8.531 2.859 667 HG22 VAL 98 2HG2 VAL 98 -6.535 8.037 4.551 668 HG23 VAL 98 3HG2 VAL 98 -7.660 7.322 3.396 669 H THR 99 H THR 99 -8.693 11.182 6.711 670 HA THR 99 HA THR 99 -11.455 12.005 6.085 671 HB THR 99 HB THR 99 -11.261 11.409 8.438 672 HG1 THR 99 1HG THR 99 -12.644 13.080 8.247 673 HG21 THR 99 1HG2 THR 99 -8.693 12.268 8.297 674 HG22 THR 99 2HG2 THR 99 -9.569 12.014 9.806 675 HG23 THR 99 3HG2 THR 99 -9.453 13.632 9.116 676 H GLY 100 H GLY 100 -11.842 14.351 6.137 677 HA2 GLY 100 1HA GLY 100 -10.685 16.568 6.244 678 HA3 GLY 100 2HA GLY 100 -9.447 15.831 5.236 679 HA PRO 101 HA PRO 101 -12.924 17.886 2.718 680 HB2 PRO 101 1HB PRO 101 -11.569 20.099 1.919 681 HB3 PRO 101 2HB PRO 101 -12.551 20.052 3.388 682 HG2 PRO 101 1HG PRO 101 -9.586 19.775 3.081 683 HG3 PRO 101 2HG PRO 101 -10.505 20.694 4.288 684 HD2 PRO 101 1HD PRO 101 -9.424 18.269 4.817 685 HD3 PRO 101 2HD PRO 101 -10.932 18.826 5.569 686 H ARG 102 H ARG 102 -13.024 17.028 0.748 687 HA ARG 102 HA ARG 102 -11.217 15.622 -0.621 688 HB2 ARG 102 1HB ARG 102 -13.649 16.252 -1.256 689 HB3 ARG 102 2HB ARG 102 -12.911 17.563 -2.166 690 HG2 ARG 102 1HG ARG 102 -11.795 16.075 -3.606 691 HG3 ARG 102 2HG ARG 102 -12.110 14.697 -2.550 692 HD2 ARG 102 1HD ARG 102 -14.126 16.248 -4.168 693 HD3 ARG 102 2HD ARG 102 -13.585 14.594 -4.452 694 HE ARG 102 HE ARG 102 -14.595 14.552 -1.919 695 HH11 ARG 102 1HH1 ARG 102 -15.819 15.490 -5.040 696 HH12 ARG 102 2HH1 ARG 102 -17.460 15.080 -4.665 697 HH21 ARG 102 1HH2 ARG 102 -16.752 14.008 -1.413 698 HH22 ARG 102 2HH2 ARG 102 -17.990 14.238 -2.601 699 H LEU 103 H LEU 103 -9.134 16.074 -0.943 700 HA LEU 103 HA LEU 103 -8.432 18.719 -2.034 701 HB2 LEU 103 1HB LEU 103 -7.067 16.905 -0.110 702 HB3 LEU 103 2HB LEU 103 -6.075 17.908 -1.166 703 HG LEU 103 HG LEU 103 -8.173 18.971 0.722 704 HD11 LEU 103 1HD1 LEU 103 -6.164 19.773 2.004 705 HD12 LEU 103 2HD1 LEU 103 -5.195 18.671 1.026 706 HD13 LEU 103 3HD1 LEU 103 -6.465 18.036 2.072 707 HD21 LEU 103 1HD2 LEU 103 -6.324 20.941 0.133 708 HD22 LEU 103 2HD2 LEU 103 -7.956 20.806 -0.522 709 HD23 LEU 103 3HD2 LEU 103 -6.589 20.134 -1.413 710 H SER 104 H SER 104 -8.638 18.219 -4.201 711 HA SER 104 HA SER 104 -7.054 15.988 -5.247 712 HB2 SER 104 1HB SER 104 -9.016 17.764 -6.716 713 HB3 SER 104 2HB SER 104 -8.297 16.268 -7.311 714 HG SER 104 HG SER 104 -9.474 15.119 -5.836 715 H GLY 105 H GLY 105 -7.646 19.429 -5.992 716 HA2 GLY 105 1HA GLY 105 -5.427 20.706 -6.035 717 HA3 GLY 105 2HA GLY 105 -4.981 19.516 -7.250 718 H SER 106 H SER 106 -6.698 22.424 -6.595 719 HA SER 106 HA SER 106 -7.834 22.490 -9.293 720 HB2 SER 106 1HB SER 106 -8.238 24.306 -6.906 721 HB3 SER 106 2HB SER 106 -8.992 24.555 -8.480 722 HG SER 106 HG SER 106 -9.632 22.167 -8.023 723 H GLY 107 H GLY 107 -6.695 23.388 -10.869 724 HA2 GLY 107 1HA GLY 107 -5.509 25.951 -10.665 725 HA3 GLY 107 2HA GLY 107 -4.265 24.714 -10.555 726 HA PRO 108 HA PRO 108 -5.369 25.754 -15.039 727 HB2 PRO 108 1HB PRO 108 -3.023 26.949 -15.703 728 HB3 PRO 108 2HB PRO 108 -4.407 27.840 -15.060 729 HG2 PRO 108 1HG PRO 108 -1.956 26.869 -13.643 730 HG3 PRO 108 2HG PRO 108 -2.785 28.429 -13.501 731 HD2 PRO 108 1HD PRO 108 -3.105 26.440 -11.692 732 HD3 PRO 108 2HD PRO 108 -4.402 27.584 -12.092 733 H SER 109 H SER 109 -4.953 24.223 -16.511 734 HA SER 109 HA SER 109 -2.786 22.339 -15.984 735 HB2 SER 109 1HB SER 109 -3.919 20.868 -17.563 736 HB3 SER 109 2HB SER 109 -5.081 21.477 -16.384 737 HG SER 109 HG SER 109 -6.104 21.846 -18.236 738 H SER 110 H SER 110 -1.087 21.987 -17.328 739 HA SER 110 HA SER 110 -0.874 23.754 -19.678 740 HB2 SER 110 1HB SER 110 0.683 24.056 -17.575 741 HB3 SER 110 2HB SER 110 1.552 22.692 -18.278 742 HG SER 110 HG SER 110 1.318 24.141 -20.297 743 H GLY 111 H GLY 111 0.400 20.698 -18.345 744 HA2 GLY 111 1HA GLY 111 0.529 19.675 -21.113 745 HA3 GLY 111 2HA GLY 111 1.587 19.145 -19.813 Start of MODEL 13 1 H1 GLY 1 H GLY 1 9.648 -35.295 -13.696 2 HA2 GLY 1 1HA GLY 1 10.411 -32.928 -15.010 3 HA3 GLY 1 2HA GLY 1 9.234 -34.090 -15.605 4 H SER 2 H SER 2 9.699 -30.963 -14.487 5 HA SER 2 HA SER 2 6.940 -30.602 -13.612 6 HB2 SER 2 1HB SER 2 9.368 -28.814 -13.618 7 HB3 SER 2 2HB SER 2 7.755 -28.189 -13.274 8 HG SER 2 HG SER 2 7.971 -28.943 -11.337 9 H SER 3 H SER 3 6.000 -28.375 -14.432 10 HA SER 3 HA SER 3 6.079 -28.504 -17.370 11 HB2 SER 3 1HB SER 3 3.905 -28.920 -15.999 12 HB3 SER 3 2HB SER 3 3.887 -27.167 -15.808 13 HG SER 3 HG SER 3 3.082 -27.082 -17.735 14 H GLY 4 H GLY 4 8.105 -27.086 -16.096 15 HA2 GLY 4 1HA GLY 4 9.174 -25.058 -16.205 16 HA3 GLY 4 2HA GLY 4 7.976 -24.605 -17.409 17 H SER 5 H SER 5 7.965 -25.232 -13.896 18 HA SER 5 HA SER 5 6.280 -22.853 -13.563 19 HB2 SER 5 1HB SER 5 6.782 -25.243 -11.785 20 HB3 SER 5 2HB SER 5 5.900 -23.814 -11.244 21 HG SER 5 HG SER 5 4.687 -24.320 -13.381 22 H SER 6 H SER 6 6.807 -21.217 -12.130 23 HA SER 6 HA SER 6 9.413 -21.340 -10.803 24 HB2 SER 6 1HB SER 6 10.176 -19.270 -11.725 25 HB3 SER 6 2HB SER 6 9.653 -20.264 -13.085 26 HG SER 6 HG SER 6 7.602 -19.103 -12.900 27 H GLY 7 H GLY 7 9.551 -20.169 -8.925 28 HA2 GLY 7 1HA GLY 7 8.451 -18.054 -7.877 29 HA3 GLY 7 2HA GLY 7 7.010 -19.057 -7.963 30 H ALA 8 H ALA 8 8.547 -17.908 -5.664 31 HA ALA 8 HA ALA 8 8.259 -20.098 -3.900 32 HB1 ALA 8 1HB ALA 8 10.377 -20.770 -5.006 33 HB2 ALA 8 2HB ALA 8 11.120 -19.291 -4.396 34 HB3 ALA 8 3HB ALA 8 10.538 -20.515 -3.268 35 H GLY 9 H GLY 9 8.076 -19.401 -1.823 36 HA2 GLY 9 1HA GLY 9 9.369 -17.324 -0.566 37 HA3 GLY 9 2HA GLY 9 7.994 -16.580 -1.368 38 H ASP 10 H ASP 10 7.582 -16.077 0.994 39 HA ASP 10 HA ASP 10 5.630 -17.994 1.970 40 HB2 ASP 10 1HB ASP 10 8.028 -17.132 3.592 41 HB3 ASP 10 2HB ASP 10 6.579 -17.828 4.310 42 HA PRO 11 HA PRO 11 3.883 -13.858 2.388 43 HB2 PRO 11 1HB PRO 11 1.317 -14.725 2.580 44 HB3 PRO 11 2HB PRO 11 2.165 -14.567 1.037 45 HG2 PRO 11 1HG PRO 11 1.694 -17.013 2.698 46 HG3 PRO 11 2HG PRO 11 1.563 -16.811 0.942 47 HD2 PRO 11 1HD PRO 11 3.721 -17.944 2.121 48 HD3 PRO 11 2HD PRO 11 3.838 -16.997 0.624 49 H GLY 12 H GLY 12 3.300 -16.687 4.413 50 HA2 GLY 12 1HA GLY 12 1.936 -15.506 6.530 51 HA3 GLY 12 2HA GLY 12 3.003 -16.894 6.680 52 H LEU 13 H LEU 13 5.352 -15.414 5.751 53 HA LEU 13 HA LEU 13 5.940 -14.053 8.272 54 HB2 LEU 13 1HB LEU 13 7.885 -14.785 6.098 55 HB3 LEU 13 2HB LEU 13 8.240 -14.382 7.777 56 HG LEU 13 HG LEU 13 6.921 -16.899 6.763 57 HD11 LEU 13 1HD1 LEU 13 8.948 -17.939 7.801 58 HD12 LEU 13 2HD1 LEU 13 9.617 -16.317 7.969 59 HD13 LEU 13 3HD1 LEU 13 9.266 -16.964 6.367 60 HD21 LEU 13 1HD2 LEU 13 7.684 -16.320 9.608 61 HD22 LEU 13 2HD2 LEU 13 6.667 -17.616 8.977 62 HD23 LEU 13 3HD2 LEU 13 6.076 -15.953 8.982 63 H VAL 14 H VAL 14 4.402 -12.872 5.989 64 HA VAL 14 HA VAL 14 6.118 -10.512 5.564 65 HB VAL 14 HB VAL 14 4.114 -11.725 3.661 66 HG11 VAL 14 1HG1 VAL 14 3.698 -9.641 2.982 67 HG12 VAL 14 2HG1 VAL 14 5.015 -8.976 3.949 68 HG13 VAL 14 3HG1 VAL 14 5.342 -9.635 2.347 69 HG21 VAL 14 1HG2 VAL 14 7.069 -11.180 3.382 70 HG22 VAL 14 2HG2 VAL 14 6.335 -12.760 3.657 71 HG23 VAL 14 3HG2 VAL 14 6.024 -11.894 2.153 72 H SER 15 H SER 15 5.342 -8.665 6.344 73 HA SER 15 HA SER 15 2.454 -8.287 6.591 74 HB2 SER 15 1HB SER 15 4.396 -7.965 8.892 75 HB3 SER 15 2HB SER 15 2.710 -7.447 8.917 76 HG SER 15 HG SER 15 3.695 -10.093 8.644 77 H ALA 16 H ALA 16 1.895 -6.013 7.116 78 HA ALA 16 HA ALA 16 3.974 -4.114 6.262 79 HB1 ALA 16 1HB ALA 16 2.009 -4.869 4.581 80 HB2 ALA 16 2HB ALA 16 1.229 -3.506 5.385 81 HB3 ALA 16 3HB ALA 16 2.768 -3.277 4.553 82 H TYR 17 H TYR 17 4.070 -2.258 7.400 83 HA TYR 17 HA TYR 17 1.857 -1.636 9.234 84 HB2 TYR 17 1HB TYR 17 3.526 -0.999 10.956 85 HB3 TYR 17 2HB TYR 17 3.580 -2.713 10.560 86 HD1 TYR 17 1HD TYR 17 5.337 0.499 10.264 87 HD2 TYR 17 2HD TYR 17 5.506 -3.678 9.474 88 HE1 TYR 17 1HE TYR 17 7.744 0.691 9.799 89 HE2 TYR 17 2HE TYR 17 7.914 -3.498 9.008 90 HH TYR 17 HH TYR 17 9.549 -1.857 8.375 91 H GLY 18 H GLY 18 1.434 0.524 9.571 92 HA2 GLY 18 1HA GLY 18 2.872 2.759 9.262 93 HA3 GLY 18 2HA GLY 18 2.560 2.325 7.588 94 HA PRO 19 HA PRO 19 -1.036 4.701 9.653 95 HB2 PRO 19 1HB PRO 19 -0.532 7.181 8.671 96 HB3 PRO 19 2HB PRO 19 0.091 6.619 10.226 97 HG2 PRO 19 1HG PRO 19 1.469 6.759 7.573 98 HG3 PRO 19 2HG PRO 19 2.083 7.199 9.177 99 HD2 PRO 19 1HD PRO 19 2.700 4.853 7.974 100 HD3 PRO 19 2HD PRO 19 2.552 5.013 9.736 101 H GLY 20 H GLY 20 0.475 4.601 6.509 102 HA2 GLY 20 1HA GLY 20 -1.666 5.664 4.992 103 HA3 GLY 20 2HA GLY 20 -0.381 4.635 4.378 104 H LEU 21 H LEU 21 -0.935 2.409 6.119 105 HA LEU 21 HA LEU 21 -2.948 1.133 4.551 106 HB2 LEU 21 1HB LEU 21 -1.735 0.107 7.106 107 HB3 LEU 21 2HB LEU 21 -2.461 -0.832 5.803 108 HG LEU 21 HG LEU 21 -0.032 0.806 5.233 109 HD11 LEU 21 1HD1 LEU 21 -0.045 -1.864 6.630 110 HD12 LEU 21 2HD1 LEU 21 0.601 -0.344 7.248 111 HD13 LEU 21 3HD1 LEU 21 1.369 -1.132 5.870 112 HD21 LEU 21 1HD2 LEU 21 0.386 -1.018 3.654 113 HD22 LEU 21 2HD2 LEU 21 -1.203 -0.294 3.402 114 HD23 LEU 21 3HD2 LEU 21 -1.061 -1.846 4.228 115 H GLU 22 H GLU 22 -2.775 2.310 7.884 116 HA GLU 22 HA GLU 22 -5.449 1.433 8.500 117 HB2 GLU 22 1HB GLU 22 -3.323 2.958 9.956 118 HB3 GLU 22 2HB GLU 22 -4.975 2.991 10.557 119 HG2 GLU 22 1HG GLU 22 -4.746 0.374 10.298 120 HG3 GLU 22 2HG GLU 22 -3.032 0.752 10.461 121 H GLY 23 H GLY 23 -3.985 4.225 7.128 122 HA2 GLY 23 1HA GLY 23 -5.441 5.734 5.894 123 HA3 GLY 23 2HA GLY 23 -6.604 5.586 7.203 124 H GLY 24 H GLY 24 -6.214 8.063 6.621 125 HA2 GLY 24 1HA GLY 24 -5.006 9.189 8.930 126 HA3 GLY 24 2HA GLY 24 -3.974 9.430 7.527 127 H THR 25 H THR 25 -4.244 11.309 6.547 128 HA THR 25 HA THR 25 -6.921 12.543 6.591 129 HB THR 25 HB THR 25 -4.242 13.928 6.790 130 HG1 THR 25 1HG THR 25 -6.384 14.173 8.612 131 HG21 THR 25 1HG2 THR 25 -5.557 16.012 6.942 132 HG22 THR 25 2HG2 THR 25 -7.019 15.096 6.571 133 HG23 THR 25 3HG2 THR 25 -5.730 15.225 5.374 134 H THR 26 H THR 26 -7.414 13.949 4.789 135 HA THR 26 HA THR 26 -6.680 12.812 2.297 136 HB THR 26 HB THR 26 -7.893 14.917 1.386 137 HG1 THR 26 1HG THR 26 -9.357 15.657 3.212 138 HG21 THR 26 1HG2 THR 26 -9.795 13.691 1.372 139 HG22 THR 26 2HG2 THR 26 -9.777 13.451 3.119 140 HG23 THR 26 3HG2 THR 26 -8.758 12.454 2.082 141 H GLY 27 H GLY 27 -5.718 13.950 0.476 142 HA2 GLY 27 1HA GLY 27 -3.874 14.972 -0.445 143 HA3 GLY 27 2HA GLY 27 -4.402 16.359 0.496 144 H VAL 28 H VAL 28 -3.440 13.411 2.070 145 HA VAL 28 HA VAL 28 -0.966 14.749 2.957 146 HB VAL 28 HB VAL 28 -2.695 12.806 4.494 147 HG11 VAL 28 1HG1 VAL 28 -0.739 12.284 5.473 148 HG12 VAL 28 2HG1 VAL 28 0.070 13.730 4.864 149 HG13 VAL 28 3HG1 VAL 28 -0.952 13.827 6.299 150 HG21 VAL 28 1HG2 VAL 28 -2.501 15.061 6.000 151 HG22 VAL 28 2HG2 VAL 28 -2.533 15.733 4.370 152 HG23 VAL 28 3HG2 VAL 28 -3.845 14.690 4.920 153 H SER 29 H SER 29 0.577 13.859 1.695 154 HA SER 29 HA SER 29 0.736 11.457 0.471 155 HB2 SER 29 1HB SER 29 3.237 11.596 0.780 156 HB3 SER 29 2HB SER 29 2.489 13.066 0.155 157 HG SER 29 HG SER 29 3.422 12.544 2.773 158 H SER 30 H SER 30 0.018 9.617 1.384 159 HA SER 30 HA SER 30 0.991 8.866 4.041 160 HB2 SER 30 1HB SER 30 -1.249 7.837 2.303 161 HB3 SER 30 2HB SER 30 -0.708 6.970 3.741 162 HG SER 30 HG SER 30 -1.009 9.294 4.665 163 H GLU 31 H GLU 31 2.321 7.169 4.403 164 HA GLU 31 HA GLU 31 2.959 5.354 2.202 165 HB2 GLU 31 1HB GLU 31 4.662 6.980 1.908 166 HB3 GLU 31 2HB GLU 31 4.942 7.109 3.638 167 HG2 GLU 31 1HG GLU 31 5.714 4.705 3.562 168 HG3 GLU 31 2HG GLU 31 5.692 4.854 1.805 169 H PHE 32 H PHE 32 3.902 3.374 2.860 170 HA PHE 32 HA PHE 32 4.070 2.872 5.734 171 HB2 PHE 32 1HB PHE 32 2.730 0.749 5.401 172 HB3 PHE 32 2HB PHE 32 1.810 2.247 5.318 173 HD1 PHE 32 1HD PHE 32 3.161 -0.563 3.395 174 HD2 PHE 32 2HD PHE 32 0.797 2.974 3.269 175 HE1 PHE 32 1HE PHE 32 2.301 -1.221 1.186 176 HE2 PHE 32 2HE PHE 32 -0.068 2.321 1.060 177 HZ PHE 32 HZ PHE 32 0.683 0.221 0.016 178 H ILE 33 H ILE 33 5.096 0.796 6.240 179 HA ILE 33 HA ILE 33 7.007 0.033 4.134 180 HB ILE 33 HB ILE 33 7.265 0.001 7.136 181 HG12 ILE 33 1HG1 ILE 33 8.849 1.346 4.937 182 HG13 ILE 33 2HG1 ILE 33 7.737 2.137 6.048 183 HG21 ILE 33 1HG2 ILE 33 8.253 -2.034 6.553 184 HG22 ILE 33 2HG2 ILE 33 8.917 -1.386 5.054 185 HG23 ILE 33 3HG2 ILE 33 9.604 -0.902 6.604 186 HD11 ILE 33 1HD1 ILE 33 10.461 1.040 6.559 187 HD12 ILE 33 2HD1 ILE 33 9.787 2.618 6.969 188 HD13 ILE 33 3HD1 ILE 33 9.303 1.188 7.881 189 H VAL 34 H VAL 34 7.143 -2.033 3.475 190 HA VAL 34 HA VAL 34 5.342 -3.975 4.754 191 HB VAL 34 HB VAL 34 6.513 -4.012 1.968 192 HG11 VAL 34 1HG1 VAL 34 6.058 -6.243 3.078 193 HG12 VAL 34 2HG1 VAL 34 4.351 -5.793 3.064 194 HG13 VAL 34 3HG1 VAL 34 5.236 -5.952 1.546 195 HG21 VAL 34 1HG2 VAL 34 3.698 -3.910 1.932 196 HG22 VAL 34 2HG2 VAL 34 4.237 -2.665 3.059 197 HG23 VAL 34 3HG2 VAL 34 4.835 -2.671 1.400 198 H ASN 35 H ASN 35 6.495 -5.050 6.256 199 HA ASN 35 HA ASN 35 9.255 -5.671 6.004 200 HB2 ASN 35 1HB ASN 35 8.632 -5.600 8.220 201 HB3 ASN 35 2HB ASN 35 7.076 -6.367 7.919 202 HD21 ASN 35 1HD2 ASN 35 10.452 -6.862 8.513 203 HD22 ASN 35 2HD2 ASN 35 10.360 -8.560 8.819 204 H THR 36 H THR 36 9.747 -6.866 4.224 205 HA THR 36 HA THR 36 8.396 -9.467 3.926 206 HB THR 36 HB THR 36 9.246 -9.464 1.594 207 HG1 THR 36 1HG THR 36 10.831 -8.096 1.261 208 HG21 THR 36 1HG2 THR 36 7.418 -8.361 0.854 209 HG22 THR 36 2HG2 THR 36 7.837 -6.880 1.716 210 HG23 THR 36 3HG2 THR 36 7.053 -8.207 2.572 211 H LEU 37 H LEU 37 11.214 -8.051 5.006 212 HA LEU 37 HA LEU 37 13.273 -9.650 4.084 213 HB2 LEU 37 1HB LEU 37 12.958 -8.652 6.909 214 HB3 LEU 37 2HB LEU 37 14.465 -9.078 6.099 215 HG LEU 37 HG LEU 37 12.749 -6.854 5.055 216 HD11 LEU 37 1HD1 LEU 37 14.451 -5.421 6.426 217 HD12 LEU 37 2HD1 LEU 37 14.506 -6.845 7.463 218 HD13 LEU 37 3HD1 LEU 37 12.974 -6.019 7.181 219 HD21 LEU 37 1HD2 LEU 37 14.445 -7.385 3.551 220 HD22 LEU 37 2HD2 LEU 37 15.616 -7.701 4.831 221 HD23 LEU 37 3HD2 LEU 37 15.123 -6.045 4.476 222 H ASN 38 H ASN 38 11.240 -10.189 6.962 223 HA ASN 38 HA ASN 38 12.301 -12.545 7.873 224 HB2 ASN 38 1HB ASN 38 9.566 -11.363 7.924 225 HB3 ASN 38 2HB ASN 38 9.737 -13.048 8.405 226 HD21 ASN 38 1HD2 ASN 38 11.939 -10.324 8.867 227 HD22 ASN 38 2HD2 ASN 38 11.940 -10.390 10.593 228 H ALA 39 H ALA 39 10.244 -12.035 5.090 229 HA ALA 39 HA ALA 39 9.532 -14.728 4.623 230 HB1 ALA 39 1HB ALA 39 9.795 -13.140 2.204 231 HB2 ALA 39 2HB ALA 39 8.363 -13.875 2.927 232 HB3 ALA 39 3HB ALA 39 8.916 -12.294 3.479 233 H GLY 40 H GLY 40 12.069 -12.706 3.131 234 HA2 GLY 40 1HA GLY 40 14.306 -13.781 2.975 235 HA3 GLY 40 2HA GLY 40 13.460 -15.211 2.402 236 H SER 41 H SER 41 11.909 -14.592 0.458 237 HA SER 41 HA SER 41 12.886 -12.565 -1.308 238 HB2 SER 41 1HB SER 41 13.758 -14.049 -3.056 239 HB3 SER 41 2HB SER 41 14.686 -14.231 -1.567 240 HG SER 41 HG SER 41 13.497 -16.120 -1.133 241 H GLY 42 H GLY 42 11.588 -12.304 -3.159 242 HA2 GLY 42 1HA GLY 42 9.790 -13.840 -4.389 243 HA3 GLY 42 2HA GLY 42 8.950 -13.506 -2.881 244 H ALA 43 H ALA 43 7.760 -12.741 -5.174 245 HA ALA 43 HA ALA 43 8.403 -9.965 -5.729 246 HB1 ALA 43 1HB ALA 43 7.169 -12.038 -7.162 247 HB2 ALA 43 2HB ALA 43 5.929 -10.810 -6.905 248 HB3 ALA 43 3HB ALA 43 7.448 -10.377 -7.689 249 H LEU 44 H LEU 44 6.671 -8.314 -5.679 250 HA LEU 44 HA LEU 44 4.691 -8.771 -3.560 251 HB2 LEU 44 1HB LEU 44 6.446 -7.664 -2.423 252 HB3 LEU 44 2HB LEU 44 6.681 -6.526 -3.748 253 HG LEU 44 HG LEU 44 4.308 -5.699 -3.171 254 HD11 LEU 44 1HD1 LEU 44 4.374 -6.105 -0.440 255 HD12 LEU 44 2HD1 LEU 44 4.748 -7.692 -1.111 256 HD13 LEU 44 3HD1 LEU 44 3.266 -6.861 -1.586 257 HD21 LEU 44 1HD2 LEU 44 5.217 -4.210 -1.425 258 HD22 LEU 44 2HD2 LEU 44 6.289 -4.362 -2.817 259 HD23 LEU 44 3HD2 LEU 44 6.649 -5.235 -1.327 260 H SER 45 H SER 45 2.761 -7.706 -3.804 261 HA SER 45 HA SER 45 2.482 -5.963 -6.158 262 HB2 SER 45 1HB SER 45 0.854 -8.375 -5.408 263 HB3 SER 45 2HB SER 45 0.136 -7.072 -6.355 264 HG SER 45 HG SER 45 2.610 -8.118 -7.149 265 H VAL 46 H VAL 46 1.970 -4.022 -5.397 266 HA VAL 46 HA VAL 46 0.011 -3.851 -3.198 267 HB VAL 46 HB VAL 46 2.213 -1.891 -3.861 268 HG11 VAL 46 1HG1 VAL 46 1.222 -1.350 -1.328 269 HG12 VAL 46 2HG1 VAL 46 0.936 -0.410 -2.794 270 HG13 VAL 46 3HG1 VAL 46 -0.216 -1.653 -2.303 271 HG21 VAL 46 1HG2 VAL 46 2.757 -2.669 -1.366 272 HG22 VAL 46 2HG2 VAL 46 1.996 -4.147 -1.954 273 HG23 VAL 46 3HG2 VAL 46 3.409 -3.493 -2.782 274 H THR 47 H THR 47 -1.823 -2.783 -3.583 275 HA THR 47 HA THR 47 -1.936 -0.837 -5.767 276 HB THR 47 HB THR 47 -2.773 -2.613 -6.997 277 HG1 THR 47 1HG THR 47 -5.091 -1.634 -5.652 278 HG21 THR 47 1HG2 THR 47 -2.751 -4.215 -5.088 279 HG22 THR 47 2HG2 THR 47 -4.146 -4.402 -6.151 280 HG23 THR 47 3HG2 THR 47 -4.324 -3.587 -4.597 281 H ILE 48 H ILE 48 -4.130 0.292 -5.771 282 HA ILE 48 HA ILE 48 -5.244 0.488 -3.060 283 HB ILE 48 HB ILE 48 -4.434 2.846 -4.766 284 HG12 ILE 48 1HG1 ILE 48 -3.408 1.995 -2.051 285 HG13 ILE 48 2HG1 ILE 48 -2.584 1.646 -3.567 286 HG21 ILE 48 1HG2 ILE 48 -6.087 3.901 -3.701 287 HG22 ILE 48 2HG2 ILE 48 -6.322 2.567 -2.573 288 HG23 ILE 48 3HG2 ILE 48 -5.081 3.780 -2.257 289 HD11 ILE 48 1HD1 ILE 48 -2.349 4.037 -3.987 290 HD12 ILE 48 2HD1 ILE 48 -3.171 4.383 -2.466 291 HD13 ILE 48 3HD1 ILE 48 -1.608 3.566 -2.458 292 H ASP 49 H ASP 49 -7.409 0.923 -2.944 293 HA ASP 49 HA ASP 49 -8.848 1.539 -5.417 294 HB2 ASP 49 1HB ASP 49 -8.696 -1.026 -4.778 295 HB3 ASP 49 2HB ASP 49 -9.986 -0.591 -3.660 296 H GLY 50 H GLY 50 -9.724 3.443 -4.857 297 HA2 GLY 50 1HA GLY 50 -11.456 3.470 -2.479 298 HA3 GLY 50 2HA GLY 50 -10.282 4.758 -2.703 299 HA PRO 51 HA PRO 51 -14.301 6.064 -4.628 300 HB2 PRO 51 1HB PRO 51 -14.332 8.522 -3.474 301 HB3 PRO 51 2HB PRO 51 -14.999 7.084 -2.690 302 HG2 PRO 51 1HG PRO 51 -12.346 8.408 -2.278 303 HG3 PRO 51 2HG PRO 51 -13.470 7.756 -1.072 304 HD2 PRO 51 1HD PRO 51 -11.270 6.408 -1.891 305 HD3 PRO 51 2HD PRO 51 -12.767 5.587 -1.405 306 H SER 52 H SER 52 -11.066 7.223 -4.499 307 HA SER 52 HA SER 52 -11.347 8.395 -7.137 308 HB2 SER 52 1HB SER 52 -10.287 10.034 -4.822 309 HB3 SER 52 2HB SER 52 -10.315 10.532 -6.513 310 HG SER 52 HG SER 52 -12.735 9.952 -6.153 311 H LYS 53 H LYS 53 -9.786 7.446 -8.251 312 HA LYS 53 HA LYS 53 -7.714 5.939 -7.456 313 HB2 LYS 53 1HB LYS 53 -8.478 6.725 -9.849 314 HB3 LYS 53 2HB LYS 53 -7.157 7.873 -9.671 315 HG2 LYS 53 1HG LYS 53 -6.103 6.140 -10.732 316 HG3 LYS 53 2HG LYS 53 -5.777 5.748 -9.041 317 HD2 LYS 53 1HD LYS 53 -6.475 3.722 -9.989 318 HD3 LYS 53 2HD LYS 53 -7.904 4.329 -9.150 319 HE2 LYS 53 1HE LYS 53 -8.568 3.516 -11.307 320 HE3 LYS 53 2HE LYS 53 -8.699 5.274 -11.304 321 HZ1 LYS 53 1HZ LYS 53 -7.118 5.472 -12.857 322 HZ2 LYS 53 2HZ LYS 53 -7.452 3.850 -13.201 323 HZ3 LYS 53 3HZ LYS 53 -6.148 4.251 -12.200 324 H VAL 54 H VAL 54 -5.626 6.155 -6.748 325 HA VAL 54 HA VAL 54 -4.723 8.886 -6.105 326 HB VAL 54 HB VAL 54 -3.694 8.033 -4.054 327 HG11 VAL 54 1HG1 VAL 54 -6.644 7.634 -4.430 328 HG12 VAL 54 2HG1 VAL 54 -5.877 7.424 -2.855 329 HG13 VAL 54 3HG1 VAL 54 -5.796 8.983 -3.676 330 HG21 VAL 54 1HG2 VAL 54 -4.824 5.435 -5.022 331 HG22 VAL 54 2HG2 VAL 54 -3.204 5.793 -4.426 332 HG23 VAL 54 3HG2 VAL 54 -4.560 5.714 -3.301 333 H GLN 55 H GLN 55 -2.671 9.389 -6.633 334 HA GLN 55 HA GLN 55 -1.202 7.600 -8.306 335 HB2 GLN 55 1HB GLN 55 -1.318 10.179 -8.411 336 HB3 GLN 55 2HB GLN 55 -0.096 10.143 -7.147 337 HG2 GLN 55 1HG GLN 55 1.287 8.707 -8.682 338 HG3 GLN 55 2HG GLN 55 0.116 9.078 -9.947 339 HE21 GLN 55 1HE2 GLN 55 2.868 9.718 -10.016 340 HE22 GLN 55 2HE2 GLN 55 3.011 11.439 -10.051 341 H LEU 56 H LEU 56 -0.433 5.834 -7.253 342 HA LEU 56 HA LEU 56 1.040 6.185 -4.757 343 HB2 LEU 56 1HB LEU 56 0.792 3.918 -4.392 344 HB3 LEU 56 2HB LEU 56 -0.700 4.345 -5.226 345 HG LEU 56 HG LEU 56 0.706 3.573 -7.342 346 HD11 LEU 56 1HD1 LEU 56 2.560 2.424 -6.940 347 HD12 LEU 56 2HD1 LEU 56 1.736 1.400 -5.766 348 HD13 LEU 56 3HD1 LEU 56 2.448 2.929 -5.254 349 HD21 LEU 56 1HD2 LEU 56 -1.089 2.225 -5.458 350 HD22 LEU 56 2HD2 LEU 56 -0.138 1.136 -6.468 351 HD23 LEU 56 3HD2 LEU 56 -1.172 2.354 -7.216 352 H ASP 57 H ASP 57 3.148 5.191 -4.482 353 HA ASP 57 HA ASP 57 4.669 4.724 -6.932 354 HB2 ASP 57 1HB ASP 57 4.761 7.203 -6.070 355 HB3 ASP 57 2HB ASP 57 5.867 6.538 -4.871 356 H CYS 58 H CYS 58 5.888 2.974 -6.709 357 HA CYS 58 HA CYS 58 6.379 1.934 -4.020 358 HB2 CYS 58 1HB CYS 58 5.392 0.613 -6.082 359 HB3 CYS 58 2HB CYS 58 7.090 0.423 -6.500 360 HG CYS 58 HG CYS 58 7.397 -1.662 -5.051 361 H ARG 59 H ARG 59 8.316 2.025 -3.093 362 HA ARG 59 HA ARG 59 10.680 2.428 -4.800 363 HB2 ARG 59 1HB ARG 59 10.581 4.546 -3.942 364 HB3 ARG 59 2HB ARG 59 9.718 4.037 -2.497 365 HG2 ARG 59 1HG ARG 59 11.769 3.162 -1.547 366 HG3 ARG 59 2HG ARG 59 12.649 3.583 -3.017 367 HD2 ARG 59 1HD ARG 59 11.898 5.973 -2.599 368 HD3 ARG 59 2HD ARG 59 11.400 5.428 -0.998 369 HE ARG 59 HE ARG 59 14.087 4.690 -1.531 370 HH11 ARG 59 1HH1 ARG 59 12.086 7.411 -0.685 371 HH12 ARG 59 2HH1 ARG 59 13.359 8.261 0.128 372 HH21 ARG 59 1HH2 ARG 59 15.771 5.799 -0.464 373 HH22 ARG 59 2HH2 ARG 59 15.454 7.343 0.252 374 H GLU 60 H GLU 60 12.728 1.835 -3.731 375 HA GLU 60 HA GLU 60 12.414 -0.675 -2.334 376 HB2 GLU 60 1HB GLU 60 14.631 -1.110 -2.870 377 HB3 GLU 60 2HB GLU 60 14.113 -0.097 -4.210 378 HG2 GLU 60 1HG GLU 60 16.103 0.884 -3.719 379 HG3 GLU 60 2HG GLU 60 15.035 1.831 -2.684 380 H CYS 61 H CYS 61 13.246 -1.183 -0.300 381 HA CYS 61 HA CYS 61 14.359 0.936 1.345 382 HB2 CYS 61 1HB CYS 61 12.654 0.515 3.148 383 HB3 CYS 61 2HB CYS 61 12.033 1.346 1.726 384 HG CYS 61 HG CYS 61 11.467 -1.659 0.958 385 HA PRO 62 HA PRO 62 16.594 -2.390 3.136 386 HB2 PRO 62 1HB PRO 62 17.082 -1.399 5.616 387 HB3 PRO 62 2HB PRO 62 17.891 -0.797 4.165 388 HG2 PRO 62 1HG PRO 62 15.551 0.346 5.640 389 HG3 PRO 62 2HG PRO 62 16.960 1.180 4.959 390 HD2 PRO 62 1HD PRO 62 14.558 1.120 3.711 391 HD3 PRO 62 2HD PRO 62 16.094 1.163 2.823 392 H GLU 63 H GLU 63 13.522 -1.506 4.216 393 HA GLU 63 HA GLU 63 13.420 -3.584 6.273 394 HB2 GLU 63 1HB GLU 63 11.476 -1.420 5.472 395 HB3 GLU 63 2HB GLU 63 11.090 -2.670 6.646 396 HG2 GLU 63 1HG GLU 63 11.754 -0.944 8.000 397 HG3 GLU 63 2HG GLU 63 13.250 -1.862 7.833 398 H GLY 64 H GLY 64 12.631 -3.048 2.995 399 HA2 GLY 64 1HA GLY 64 12.123 -5.468 2.094 400 HA3 GLY 64 2HA GLY 64 10.617 -5.170 2.951 401 H HIS 65 H HIS 65 9.336 -3.301 2.277 402 HA HIS 65 HA HIS 65 9.918 -2.159 -0.319 403 HB2 HIS 65 1HB HIS 65 7.628 -4.069 0.129 404 HB3 HIS 65 2HB HIS 65 7.623 -2.886 -1.176 405 HD1 HIS 65 1HD HIS 65 9.047 -3.383 -3.220 406 HD2 HIS 65 2HD HIS 65 9.550 -6.146 -0.158 407 HE1 HIS 65 1HE HIS 65 10.369 -5.271 -4.228 408 HE2 HIS 65 2HE HIS 65 10.587 -6.969 -2.381 409 H VAL 66 H VAL 66 9.170 -0.134 -0.438 410 HA VAL 66 HA VAL 66 7.098 0.687 1.493 411 HB VAL 66 HB VAL 66 9.476 1.558 1.882 412 HG11 VAL 66 1HG1 VAL 66 9.384 2.181 -0.764 413 HG12 VAL 66 2HG1 VAL 66 8.992 3.735 -0.023 414 HG13 VAL 66 3HG1 VAL 66 10.491 2.907 0.402 415 HG21 VAL 66 1HG2 VAL 66 8.230 2.872 3.178 416 HG22 VAL 66 2HG2 VAL 66 8.234 4.045 1.861 417 HG23 VAL 66 3HG2 VAL 66 6.910 2.889 2.009 418 H VAL 67 H VAL 67 5.522 2.116 0.807 419 HA VAL 67 HA VAL 67 5.556 2.923 -2.014 420 HB VAL 67 HB VAL 67 3.208 1.586 -0.661 421 HG11 VAL 67 1HG1 VAL 67 2.099 2.949 -2.090 422 HG12 VAL 67 2HG1 VAL 67 3.493 3.154 -3.152 423 HG13 VAL 67 3HG1 VAL 67 2.520 1.685 -3.245 424 HG21 VAL 67 1HG2 VAL 67 4.847 -0.059 -1.243 425 HG22 VAL 67 2HG2 VAL 67 3.547 -0.142 -2.432 426 HG23 VAL 67 3HG2 VAL 67 5.067 0.651 -2.842 427 H THR 68 H THR 68 4.698 4.898 -2.417 428 HA THR 68 HA THR 68 3.477 6.315 -0.138 429 HB THR 68 HB THR 68 5.066 7.647 -2.329 430 HG1 THR 68 1HG THR 68 5.903 6.395 0.037 431 HG21 THR 68 1HG2 THR 68 5.178 9.500 -0.740 432 HG22 THR 68 2HG2 THR 68 4.253 8.562 0.433 433 HG23 THR 68 3HG2 THR 68 3.503 9.069 -1.080 434 H TYR 69 H TYR 69 1.582 7.336 -0.466 435 HA TYR 69 HA TYR 69 0.658 7.817 -3.197 436 HB2 TYR 69 1HB TYR 69 -1.394 6.661 -2.932 437 HB3 TYR 69 2HB TYR 69 -0.149 5.546 -2.381 438 HD1 TYR 69 1HD TYR 69 -2.611 8.043 -1.125 439 HD2 TYR 69 2HD TYR 69 -0.310 4.568 -0.270 440 HE1 TYR 69 1HE TYR 69 -3.791 7.797 1.019 441 HE2 TYR 69 2HE TYR 69 -1.485 4.311 1.876 442 HH TYR 69 HH TYR 69 -2.907 5.254 3.320 443 H THR 70 H THR 70 -1.424 9.088 -3.187 444 HA THR 70 HA THR 70 -1.670 10.793 -0.807 445 HB THR 70 HB THR 70 -1.461 11.818 -3.645 446 HG1 THR 70 1HG THR 70 0.585 11.952 -3.151 447 HG21 THR 70 1HG2 THR 70 -1.301 13.943 -1.853 448 HG22 THR 70 2HG2 THR 70 -2.632 12.954 -1.253 449 HG23 THR 70 3HG2 THR 70 -2.657 13.555 -2.911 450 HA PRO 71 HA PRO 71 -5.936 9.749 -1.593 451 HB2 PRO 71 1HB PRO 71 -6.938 11.088 0.546 452 HB3 PRO 71 2HB PRO 71 -6.140 9.517 0.684 453 HG2 PRO 71 1HG PRO 71 -5.038 12.253 1.193 454 HG3 PRO 71 2HG PRO 71 -4.827 10.769 2.139 455 HD2 PRO 71 1HD PRO 71 -2.941 11.685 0.427 456 HD3 PRO 71 2HD PRO 71 -3.193 9.954 0.732 457 H MET 72 H MET 72 -7.515 10.738 -2.725 458 HA MET 72 HA MET 72 -7.245 13.627 -3.176 459 HB2 MET 72 1HB MET 72 -8.466 11.412 -4.812 460 HB3 MET 72 2HB MET 72 -8.780 13.107 -5.162 461 HG2 MET 72 1HG MET 72 -6.450 13.510 -5.575 462 HG3 MET 72 2HG MET 72 -6.039 11.875 -5.065 463 HE1 MET 72 1HE MET 72 -7.500 14.059 -8.122 464 HE2 MET 72 2HE MET 72 -8.551 12.818 -8.803 465 HE3 MET 72 3HE MET 72 -8.840 13.419 -7.170 466 H ALA 73 H ALA 73 -9.273 11.251 -1.770 467 HA ALA 73 HA ALA 73 -11.144 13.311 -0.939 468 HB1 ALA 73 1HB ALA 73 -11.891 11.041 -2.731 469 HB2 ALA 73 2HB ALA 73 -13.058 11.658 -1.560 470 HB3 ALA 73 3HB ALA 73 -12.392 12.732 -2.790 471 HA PRO 74 HA PRO 74 -11.019 10.996 2.799 472 HB2 PRO 74 1HB PRO 74 -13.332 11.849 3.938 473 HB3 PRO 74 2HB PRO 74 -11.890 12.865 3.815 474 HG2 PRO 74 1HG PRO 74 -14.333 12.826 2.086 475 HG3 PRO 74 2HG PRO 74 -13.433 14.216 2.719 476 HD2 PRO 74 1HD PRO 74 -13.141 13.327 0.179 477 HD3 PRO 74 2HD PRO 74 -11.809 14.067 1.090 478 H GLY 75 H GLY 75 -11.274 8.839 2.562 479 HA2 GLY 75 1HA GLY 75 -13.855 7.688 2.958 480 HA3 GLY 75 2HA GLY 75 -13.311 7.473 1.301 481 H ASN 76 H ASN 76 -13.206 5.224 1.527 482 HA ASN 76 HA ASN 76 -11.036 4.262 3.274 483 HB2 ASN 76 1HB ASN 76 -12.193 2.050 3.203 484 HB3 ASN 76 2HB ASN 76 -13.142 3.314 3.978 485 HD21 ASN 76 1HD2 ASN 76 -14.913 4.208 2.858 486 HD22 ASN 76 2HD2 ASN 76 -15.684 3.345 1.575 487 H TYR 77 H TYR 77 -9.260 3.964 2.098 488 HA TYR 77 HA TYR 77 -9.496 3.057 -0.674 489 HB2 TYR 77 1HB TYR 77 -7.155 4.172 0.880 490 HB3 TYR 77 2HB TYR 77 -7.057 3.620 -0.788 491 HD1 TYR 77 1HD TYR 77 -8.375 6.216 1.449 492 HD2 TYR 77 2HD TYR 77 -7.998 4.926 -2.588 493 HE1 TYR 77 1HE TYR 77 -9.072 8.445 0.678 494 HE2 TYR 77 2HE TYR 77 -8.693 7.152 -3.370 495 HH TYR 77 HH TYR 77 -9.866 9.087 -2.608 496 H LEU 78 H LEU 78 -9.581 0.916 -0.880 497 HA LEU 78 HA LEU 78 -8.462 -0.898 1.009 498 HB2 LEU 78 1HB LEU 78 -10.460 -1.268 -0.523 499 HB3 LEU 78 2HB LEU 78 -9.287 -1.567 -1.803 500 HG LEU 78 HG LEU 78 -9.934 -3.690 -1.049 501 HD11 LEU 78 1HD1 LEU 78 -7.444 -3.221 -1.197 502 HD12 LEU 78 2HD1 LEU 78 -7.930 -4.654 -0.291 503 HD13 LEU 78 3HD1 LEU 78 -7.452 -3.189 0.566 504 HD21 LEU 78 1HD2 LEU 78 -9.743 -4.258 1.433 505 HD22 LEU 78 2HD2 LEU 78 -11.115 -3.270 0.930 506 HD23 LEU 78 3HD2 LEU 78 -9.721 -2.516 1.706 507 H ILE 79 H ILE 79 -6.380 -1.348 1.213 508 HA ILE 79 HA ILE 79 -4.630 -1.096 -1.133 509 HB ILE 79 HB ILE 79 -3.938 -1.149 1.806 510 HG12 ILE 79 1HG1 ILE 79 -3.511 1.112 -0.136 511 HG13 ILE 79 2HG1 ILE 79 -5.025 0.931 0.743 512 HG21 ILE 79 1HG2 ILE 79 -1.840 -0.284 0.012 513 HG22 ILE 79 2HG2 ILE 79 -1.799 -1.492 1.295 514 HG23 ILE 79 3HG2 ILE 79 -2.343 -1.941 -0.321 515 HD11 ILE 79 1HD1 ILE 79 -4.135 1.652 2.668 516 HD12 ILE 79 2HD1 ILE 79 -2.601 0.825 2.394 517 HD13 ILE 79 3HD1 ILE 79 -2.922 2.372 1.609 518 H ALA 80 H ALA 80 -4.193 -2.931 -2.148 519 HA ALA 80 HA ALA 80 -4.405 -5.477 -0.763 520 HB1 ALA 80 1HB ALA 80 -4.603 -6.462 -2.816 521 HB2 ALA 80 2HB ALA 80 -5.194 -4.844 -3.197 522 HB3 ALA 80 3HB ALA 80 -3.538 -5.296 -3.603 523 H ILE 81 H ILE 81 -2.740 -6.951 -0.500 524 HA ILE 81 HA ILE 81 -0.045 -6.203 -1.315 525 HB ILE 81 HB ILE 81 -0.706 -6.756 1.580 526 HG12 ILE 81 1HG1 ILE 81 0.171 -4.187 0.241 527 HG13 ILE 81 2HG1 ILE 81 -1.442 -4.516 0.863 528 HG21 ILE 81 1HG2 ILE 81 1.546 -7.492 0.516 529 HG22 ILE 81 2HG2 ILE 81 1.925 -5.770 0.560 530 HG23 ILE 81 3HG2 ILE 81 1.554 -6.629 2.054 531 HD11 ILE 81 1HD1 ILE 81 -0.846 -4.074 2.971 532 HD12 ILE 81 2HD1 ILE 81 0.713 -4.883 2.810 533 HD13 ILE 81 3HD1 ILE 81 0.511 -3.232 2.224 534 H LYS 82 H LYS 82 0.467 -7.974 -2.439 535 HA LYS 82 HA LYS 82 -0.004 -10.598 -1.182 536 HB2 LYS 82 1HB LYS 82 0.209 -9.916 -4.121 537 HB3 LYS 82 2HB LYS 82 0.019 -11.539 -3.470 538 HG2 LYS 82 1HG LYS 82 -2.118 -10.600 -2.370 539 HG3 LYS 82 2HG LYS 82 -1.954 -9.294 -3.545 540 HD2 LYS 82 1HD LYS 82 -1.670 -11.322 -5.220 541 HD3 LYS 82 2HD LYS 82 -2.579 -12.173 -3.968 542 HE2 LYS 82 1HE LYS 82 -4.195 -11.347 -5.468 543 HE3 LYS 82 2HE LYS 82 -4.242 -10.259 -4.082 544 HZ1 LYS 82 1HZ LYS 82 -3.935 -8.608 -5.507 545 HZ2 LYS 82 2HZ LYS 82 -3.668 -9.670 -6.796 546 HZ3 LYS 82 3HZ LYS 82 -2.377 -9.195 -5.811 547 H TYR 83 H TYR 83 1.609 -12.267 -1.685 548 HA TYR 83 HA TYR 83 4.189 -11.471 -2.660 549 HB2 TYR 83 1HB TYR 83 3.982 -10.643 -0.206 550 HB3 TYR 83 2HB TYR 83 4.154 -12.344 0.215 551 HD1 TYR 83 2HD TYR 83 5.839 -9.408 -1.193 552 HD2 TYR 83 1HD TYR 83 6.261 -13.497 -0.099 553 HE1 TYR 83 2HE TYR 83 8.283 -9.195 -1.363 554 HE2 TYR 83 1HE TYR 83 8.706 -13.296 -0.265 555 HH TYR 83 HH TYR 83 10.254 -10.187 -0.904 556 H GLY 84 H GLY 84 5.105 -13.183 -3.589 557 HA2 GLY 84 1HA GLY 84 5.305 -15.359 -4.332 558 HA3 GLY 84 2HA GLY 84 5.512 -15.694 -2.619 559 H GLY 85 H GLY 85 2.688 -14.719 -4.565 560 HA2 GLY 85 1HA GLY 85 1.348 -17.070 -4.809 561 HA3 GLY 85 2HA GLY 85 1.019 -16.594 -3.149 562 HA PRO 86 HA PRO 86 -1.602 -14.259 -6.462 563 HB2 PRO 86 1HB PRO 86 -3.655 -15.987 -6.867 564 HB3 PRO 86 2HB PRO 86 -2.207 -15.962 -7.880 565 HG2 PRO 86 1HG PRO 86 -2.898 -17.784 -5.607 566 HG3 PRO 86 2HG PRO 86 -2.172 -18.178 -7.176 567 HD2 PRO 86 1HD PRO 86 -0.708 -17.945 -4.910 568 HD3 PRO 86 2HD PRO 86 -0.067 -17.517 -6.509 569 H GLN 87 H GLN 87 -1.814 -15.631 -3.435 570 HA GLN 87 HA GLN 87 -4.446 -14.470 -2.861 571 HB2 GLN 87 1HB GLN 87 -4.419 -15.753 -0.813 572 HB3 GLN 87 2HB GLN 87 -4.036 -16.813 -2.163 573 HG2 GLN 87 1HG GLN 87 -1.868 -17.106 -1.503 574 HG3 GLN 87 2HG GLN 87 -1.799 -15.558 -0.663 575 HE21 GLN 87 1HE2 GLN 87 -2.424 -15.429 1.450 576 HE22 GLN 87 2HE2 GLN 87 -2.807 -16.811 2.415 577 H HIS 88 H HIS 88 -4.569 -13.501 -0.560 578 HA HIS 88 HA HIS 88 -2.618 -11.361 -0.463 579 HB2 HIS 88 1HB HIS 88 -5.196 -11.894 1.005 580 HB3 HIS 88 2HB HIS 88 -4.133 -10.559 1.441 581 HD1 HIS 88 1HD HIS 88 -5.250 -8.520 0.593 582 HD2 HIS 88 2HD HIS 88 -5.358 -11.612 -2.179 583 HE1 HIS 88 1HE HIS 88 -6.293 -7.535 -1.472 584 HE2 HIS 88 2HE HIS 88 -6.426 -9.447 -3.107 585 H ILE 89 H ILE 89 -1.404 -10.798 1.394 586 HA ILE 89 HA ILE 89 -0.319 -13.055 2.779 587 HB ILE 89 HB ILE 89 1.161 -11.455 3.876 588 HG12 ILE 89 1HG1 ILE 89 -0.050 -9.184 2.360 589 HG13 ILE 89 2HG1 ILE 89 -0.812 -9.688 3.864 590 HG21 ILE 89 1HG2 ILE 89 1.506 -12.236 1.490 591 HG22 ILE 89 2HG2 ILE 89 0.913 -10.653 0.991 592 HG23 ILE 89 3HG2 ILE 89 2.373 -10.778 1.971 593 HD11 ILE 89 1HD1 ILE 89 2.002 -9.462 4.268 594 HD12 ILE 89 2HD1 ILE 89 1.391 -7.985 3.521 595 HD13 ILE 89 3HD1 ILE 89 0.688 -8.567 5.030 596 H VAL 90 H VAL 90 -0.030 -13.056 5.170 597 HA VAL 90 HA VAL 90 -2.416 -13.254 6.524 598 HB VAL 90 HB VAL 90 -0.420 -14.259 7.420 599 HG11 VAL 90 1HG1 VAL 90 1.533 -13.211 7.648 600 HG12 VAL 90 2HG1 VAL 90 0.790 -11.838 6.825 601 HG13 VAL 90 3HG1 VAL 90 0.806 -11.907 8.587 602 HG21 VAL 90 1HG2 VAL 90 -0.557 -13.470 9.791 603 HG22 VAL 90 2HG2 VAL 90 -1.603 -12.163 9.235 604 HG23 VAL 90 3HG2 VAL 90 -2.115 -13.840 9.052 605 H GLY 91 H GLY 91 -3.891 -11.736 6.897 606 HA2 GLY 91 1HA GLY 91 -4.501 -9.849 8.297 607 HA3 GLY 91 2HA GLY 91 -2.960 -9.115 7.881 608 H SER 92 H SER 92 -2.915 -9.420 5.146 609 HA SER 92 HA SER 92 -4.540 -7.261 4.315 610 HB2 SER 92 1HB SER 92 -2.669 -9.156 2.960 611 HB3 SER 92 2HB SER 92 -3.755 -8.191 1.960 612 HG SER 92 HG SER 92 -1.510 -7.443 3.276 613 HA PRO 93 HA PRO 93 -5.098 -6.723 1.979 614 HB2 PRO 93 1HB PRO 93 -7.435 -5.435 1.481 615 HB3 PRO 93 2HB PRO 93 -6.749 -6.638 0.383 616 HG2 PRO 93 1HG PRO 93 -8.918 -6.953 2.422 617 HG3 PRO 93 2HG PRO 93 -8.838 -7.585 0.767 618 HD2 PRO 93 1HD PRO 93 -8.290 -9.110 2.936 619 HD3 PRO 93 2HD PRO 93 -7.486 -9.350 1.372 620 H PHE 94 H PHE 94 -5.636 -4.323 2.492 621 HA PHE 94 HA PHE 94 -6.370 -4.085 5.334 622 HB2 PHE 94 1HB PHE 94 -4.069 -2.808 3.857 623 HB3 PHE 94 2HB PHE 94 -4.650 -2.208 5.407 624 HD1 PHE 94 2HD PHE 94 -4.574 -3.732 7.402 625 HD2 PHE 94 1HD PHE 94 -2.627 -4.650 3.730 626 HE1 PHE 94 2HE PHE 94 -3.155 -5.368 8.568 627 HE2 PHE 94 1HE PHE 94 -1.205 -6.289 4.890 628 HZ PHE 94 HZ PHE 94 -1.467 -6.649 7.312 629 H LYS 95 H LYS 95 -7.445 -2.212 5.964 630 HA LYS 95 HA LYS 95 -8.599 -0.667 3.741 631 HB2 LYS 95 1HB LYS 95 -10.001 -2.088 5.467 632 HB3 LYS 95 2HB LYS 95 -9.787 -0.670 6.485 633 HG2 LYS 95 1HG LYS 95 -11.108 0.647 5.173 634 HG3 LYS 95 2HG LYS 95 -10.754 -0.267 3.705 635 HD2 LYS 95 1HD LYS 95 -12.341 -1.462 5.957 636 HD3 LYS 95 2HD LYS 95 -13.106 -0.469 4.714 637 HE2 LYS 95 1HE LYS 95 -12.361 -1.978 2.988 638 HE3 LYS 95 2HE LYS 95 -11.436 -2.918 4.158 639 HZ1 LYS 95 1HZ LYS 95 -13.943 -3.487 3.375 640 HZ2 LYS 95 2HZ LYS 95 -14.234 -2.632 4.805 641 HZ3 LYS 95 3HZ LYS 95 -13.252 -4.010 4.828 642 H ALA 96 H ALA 96 -8.226 1.455 3.598 643 HA ALA 96 HA ALA 96 -6.940 2.787 5.892 644 HB1 ALA 96 1HB ALA 96 -6.374 2.878 2.978 645 HB2 ALA 96 2HB ALA 96 -6.132 4.352 3.917 646 HB3 ALA 96 3HB ALA 96 -5.265 2.879 4.349 647 H LYS 97 H LYS 97 -8.418 4.010 6.876 648 HA LYS 97 HA LYS 97 -10.444 5.397 5.281 649 HB2 LYS 97 1HB LYS 97 -11.288 4.131 7.168 650 HB3 LYS 97 2HB LYS 97 -10.191 4.963 8.262 651 HG2 LYS 97 1HG LYS 97 -11.438 6.881 8.279 652 HG3 LYS 97 2HG LYS 97 -12.128 6.577 6.683 653 HD2 LYS 97 1HD LYS 97 -12.781 4.806 9.013 654 HD3 LYS 97 2HD LYS 97 -13.646 6.323 8.752 655 HE2 LYS 97 1HE LYS 97 -13.385 4.129 6.700 656 HE3 LYS 97 2HE LYS 97 -14.770 4.329 7.772 657 HZ1 LYS 97 1HZ LYS 97 -13.849 6.162 5.635 658 HZ2 LYS 97 2HZ LYS 97 -14.972 6.627 6.811 659 HZ3 LYS 97 3HZ LYS 97 -15.335 5.360 5.750 660 H VAL 98 H VAL 98 -9.883 7.347 4.577 661 HA VAL 98 HA VAL 98 -8.013 8.979 6.112 662 HB VAL 98 HB VAL 98 -9.223 9.468 3.386 663 HG11 VAL 98 1HG1 VAL 98 -8.611 11.583 3.914 664 HG12 VAL 98 2HG1 VAL 98 -7.452 11.060 5.139 665 HG13 VAL 98 3HG1 VAL 98 -7.022 10.992 3.429 666 HG21 VAL 98 1HG2 VAL 98 -6.797 8.987 2.697 667 HG22 VAL 98 2HG2 VAL 98 -6.639 8.234 4.284 668 HG23 VAL 98 3HG2 VAL 98 -7.820 7.617 3.129 669 H THR 99 H THR 99 -8.467 11.077 6.814 670 HA THR 99 HA THR 99 -11.306 11.855 6.812 671 HB THR 99 HB THR 99 -11.032 12.688 9.137 672 HG1 THR 99 1HG THR 99 -9.188 12.343 10.229 673 HG21 THR 99 1HG2 THR 99 -11.517 10.654 10.133 674 HG22 THR 99 2HG2 THR 99 -10.325 9.781 9.169 675 HG23 THR 99 3HG2 THR 99 -11.838 10.310 8.434 676 H GLY 100 H GLY 100 -11.668 13.895 6.202 677 HA2 GLY 100 1HA GLY 100 -10.648 16.240 6.799 678 HA3 GLY 100 2HA GLY 100 -9.349 15.633 5.783 679 HA PRO 101 HA PRO 101 -12.720 17.779 3.257 680 HB2 PRO 101 1HB PRO 101 -11.227 19.892 2.434 681 HB3 PRO 101 2HB PRO 101 -12.191 19.915 3.916 682 HG2 PRO 101 1HG PRO 101 -9.256 19.435 3.573 683 HG3 PRO 101 2HG PRO 101 -10.094 20.417 4.788 684 HD2 PRO 101 1HD PRO 101 -9.176 17.924 5.311 685 HD3 PRO 101 2HD PRO 101 -10.633 18.586 6.079 686 H ARG 102 H ARG 102 -12.917 17.095 1.219 687 HA ARG 102 HA ARG 102 -11.182 15.522 -0.147 688 HB2 ARG 102 1HB ARG 102 -13.631 16.355 -0.695 689 HB3 ARG 102 2HB ARG 102 -12.777 17.466 -1.758 690 HG2 ARG 102 1HG ARG 102 -11.625 15.424 -2.726 691 HG3 ARG 102 2HG ARG 102 -12.825 14.468 -1.853 692 HD2 ARG 102 1HD ARG 102 -13.608 14.788 -4.091 693 HD3 ARG 102 2HD ARG 102 -14.605 15.764 -3.013 694 HE ARG 102 HE ARG 102 -12.588 17.424 -3.890 695 HH11 ARG 102 1HH1 ARG 102 -15.153 15.565 -5.334 696 HH12 ARG 102 2HH1 ARG 102 -15.354 16.642 -6.676 697 HH21 ARG 102 1HH2 ARG 102 -12.844 18.850 -5.652 698 HH22 ARG 102 2HH2 ARG 102 -14.040 18.510 -6.856 699 H LEU 103 H LEU 103 -9.082 15.940 -0.455 700 HA LEU 103 HA LEU 103 -8.333 18.551 -1.591 701 HB2 LEU 103 1HB LEU 103 -6.970 16.671 0.270 702 HB3 LEU 103 2HB LEU 103 -5.978 17.646 -0.812 703 HG LEU 103 HG LEU 103 -7.997 18.821 1.092 704 HD11 LEU 103 1HD1 LEU 103 -5.178 19.156 1.750 705 HD12 LEU 103 2HD1 LEU 103 -5.730 17.485 1.865 706 HD13 LEU 103 3HD1 LEU 103 -6.547 18.749 2.786 707 HD21 LEU 103 1HD2 LEU 103 -6.928 19.989 -1.051 708 HD22 LEU 103 2HD2 LEU 103 -5.616 20.276 0.093 709 HD23 LEU 103 3HD2 LEU 103 -7.242 20.863 0.449 710 H SER 104 H SER 104 -8.019 18.470 -3.709 711 HA SER 104 HA SER 104 -6.280 16.449 -4.838 712 HB2 SER 104 1HB SER 104 -7.879 15.778 -6.593 713 HB3 SER 104 2HB SER 104 -8.469 15.352 -4.986 714 HG SER 104 HG SER 104 -9.559 17.538 -5.180 715 H GLY 105 H GLY 105 -5.080 17.258 -6.461 716 HA2 GLY 105 1HA GLY 105 -4.780 18.590 -8.427 717 HA3 GLY 105 2HA GLY 105 -6.029 19.677 -7.839 718 H SER 106 H SER 106 -4.674 21.478 -8.146 719 HA SER 106 HA SER 106 -3.266 23.116 -7.429 720 HB2 SER 106 1HB SER 106 -4.235 22.273 -5.157 721 HB3 SER 106 2HB SER 106 -2.640 21.551 -4.943 722 HG SER 106 HG SER 106 -1.752 23.500 -4.804 723 H GLY 107 H GLY 107 -2.321 20.814 -8.963 724 HA2 GLY 107 1HA GLY 107 0.534 20.961 -8.215 725 HA3 GLY 107 2HA GLY 107 -0.198 19.467 -8.781 726 HA PRO 108 HA PRO 108 1.061 20.542 -12.849 727 HB2 PRO 108 1HB PRO 108 -0.682 19.022 -14.270 728 HB3 PRO 108 2HB PRO 108 0.690 18.340 -13.389 729 HG2 PRO 108 1HG PRO 108 -2.190 18.492 -12.586 730 HG3 PRO 108 2HG PRO 108 -1.051 17.144 -12.416 731 HD2 PRO 108 1HD PRO 108 -1.680 18.787 -10.358 732 HD3 PRO 108 2HD PRO 108 -0.079 18.037 -10.527 733 H SER 109 H SER 109 0.030 21.197 -15.014 734 HA SER 109 HA SER 109 -2.549 22.323 -15.105 735 HB2 SER 109 1HB SER 109 -1.273 23.873 -13.465 736 HB3 SER 109 2HB SER 109 -0.443 24.463 -14.905 737 HG SER 109 HG SER 109 -3.217 24.543 -14.337 738 H SER 110 H SER 110 -3.046 22.303 -17.187 739 HA SER 110 HA SER 110 -0.890 22.735 -19.150 740 HB2 SER 110 1HB SER 110 -3.334 20.961 -19.319 741 HB3 SER 110 2HB SER 110 -2.284 21.314 -20.691 742 HG SER 110 HG SER 110 -0.591 20.556 -19.003 743 H GLY 111 H GLY 111 -1.978 23.278 -21.405 744 HA2 GLY 111 1HA GLY 111 -3.033 25.867 -21.184 745 HA3 GLY 111 2HA GLY 111 -3.019 24.899 -22.650 Start of MODEL 14 1 H1 GLY 1 H GLY 1 17.947 -34.342 -1.369 2 HA2 GLY 1 1HA GLY 1 17.743 -31.761 -0.047 3 HA3 GLY 1 2HA GLY 1 16.799 -32.307 -1.425 4 H SER 2 H SER 2 15.481 -30.972 0.485 5 HA SER 2 HA SER 2 14.436 -32.605 2.563 6 HB2 SER 2 1HB SER 2 14.453 -30.021 2.371 7 HB3 SER 2 2HB SER 2 12.985 -30.231 1.416 8 HG SER 2 HG SER 2 12.226 -30.067 3.432 9 H SER 3 H SER 3 12.203 -33.311 2.765 10 HA SER 3 HA SER 3 11.298 -34.574 0.312 11 HB2 SER 3 1HB SER 3 10.590 -34.879 3.220 12 HB3 SER 3 2HB SER 3 9.578 -35.593 1.965 13 HG SER 3 HG SER 3 11.765 -36.598 2.995 14 H GLY 4 H GLY 4 8.816 -34.709 0.054 15 HA2 GLY 4 1HA GLY 4 6.764 -33.667 -0.191 16 HA3 GLY 4 2HA GLY 4 7.321 -32.394 0.885 17 H SER 5 H SER 5 6.170 -31.001 -0.654 18 HA SER 5 HA SER 5 7.430 -30.650 -3.252 19 HB2 SER 5 1HB SER 5 5.659 -28.927 -3.590 20 HB3 SER 5 2HB SER 5 5.009 -30.514 -3.180 21 HG SER 5 HG SER 5 5.319 -28.282 -1.457 22 H SER 6 H SER 6 8.250 -28.600 -3.966 23 HA SER 6 HA SER 6 9.717 -27.234 -1.854 24 HB2 SER 6 1HB SER 6 9.987 -27.474 -4.815 25 HB3 SER 6 2HB SER 6 10.656 -26.039 -4.038 26 HG SER 6 HG SER 6 11.281 -28.750 -3.486 27 H GLY 7 H GLY 7 8.984 -25.425 -0.970 28 HA2 GLY 7 1HA GLY 7 7.127 -23.755 -2.548 29 HA3 GLY 7 2HA GLY 7 7.056 -23.919 -0.800 30 H ALA 8 H ALA 8 8.215 -22.079 -3.368 31 HA ALA 8 HA ALA 8 10.410 -20.872 -1.904 32 HB1 ALA 8 1HB ALA 8 9.369 -20.740 -4.666 33 HB2 ALA 8 2HB ALA 8 10.169 -19.292 -4.054 34 HB3 ALA 8 3HB ALA 8 11.030 -20.830 -4.079 35 H GLY 9 H GLY 9 10.126 -19.285 -0.488 36 HA2 GLY 9 1HA GLY 9 9.402 -17.206 0.282 37 HA3 GLY 9 2HA GLY 9 8.237 -17.151 -1.033 38 H ASP 10 H ASP 10 7.241 -16.271 1.199 39 HA ASP 10 HA ASP 10 5.139 -18.064 1.810 40 HB2 ASP 10 1HB ASP 10 7.418 -17.876 3.737 41 HB3 ASP 10 2HB ASP 10 5.781 -18.019 4.371 42 HA PRO 11 HA PRO 11 3.655 -13.901 2.460 43 HB2 PRO 11 1HB PRO 11 1.033 -14.586 2.615 44 HB3 PRO 11 2HB PRO 11 1.906 -14.468 1.083 45 HG2 PRO 11 1HG PRO 11 1.245 -16.896 2.703 46 HG3 PRO 11 2HG PRO 11 1.147 -16.661 0.948 47 HD2 PRO 11 1HD PRO 11 3.206 -17.962 2.131 48 HD3 PRO 11 2HD PRO 11 3.406 -17.005 0.650 49 H GLY 12 H GLY 12 2.955 -16.708 4.456 50 HA2 GLY 12 1HA GLY 12 1.633 -15.438 6.577 51 HA3 GLY 12 2HA GLY 12 2.559 -16.926 6.705 52 H LEU 13 H LEU 13 4.904 -15.229 5.602 53 HA LEU 13 HA LEU 13 5.683 -14.165 8.232 54 HB2 LEU 13 1HB LEU 13 7.548 -14.867 5.984 55 HB3 LEU 13 2HB LEU 13 7.936 -14.619 7.685 56 HG LEU 13 HG LEU 13 6.483 -16.970 6.478 57 HD11 LEU 13 1HD1 LEU 13 9.212 -16.570 7.663 58 HD12 LEU 13 2HD1 LEU 13 8.779 -17.231 6.087 59 HD13 LEU 13 3HD1 LEU 13 8.461 -18.162 7.551 60 HD21 LEU 13 1HD2 LEU 13 7.180 -16.507 9.373 61 HD22 LEU 13 2HD2 LEU 13 6.307 -17.877 8.685 62 HD23 LEU 13 3HD2 LEU 13 5.570 -16.274 8.691 63 H VAL 14 H VAL 14 4.265 -12.925 5.761 64 HA VAL 14 HA VAL 14 6.050 -10.592 5.511 65 HB VAL 14 HB VAL 14 4.011 -11.676 3.570 66 HG11 VAL 14 1HG1 VAL 14 3.628 -9.562 2.967 67 HG12 VAL 14 2HG1 VAL 14 4.959 -8.953 3.952 68 HG13 VAL 14 3HG1 VAL 14 5.270 -9.563 2.326 69 HG21 VAL 14 1HG2 VAL 14 6.151 -12.780 3.449 70 HG22 VAL 14 2HG2 VAL 14 5.963 -11.730 2.045 71 HG23 VAL 14 3HG2 VAL 14 6.989 -11.229 3.389 72 H SER 15 H SER 15 5.367 -8.750 6.378 73 HA SER 15 HA SER 15 2.495 -8.252 6.645 74 HB2 SER 15 1HB SER 15 2.701 -7.583 8.970 75 HB3 SER 15 2HB SER 15 3.294 -9.234 8.792 76 HG SER 15 HG SER 15 5.267 -8.590 9.243 77 H ALA 16 H ALA 16 1.956 -6.015 6.960 78 HA ALA 16 HA ALA 16 4.121 -4.165 6.196 79 HB1 ALA 16 1HB ALA 16 1.266 -4.175 5.226 80 HB2 ALA 16 2HB ALA 16 2.430 -2.887 4.911 81 HB3 ALA 16 3HB ALA 16 2.714 -4.508 4.276 82 H TYR 17 H TYR 17 4.161 -2.170 7.174 83 HA TYR 17 HA TYR 17 2.049 -1.548 9.112 84 HB2 TYR 17 1HB TYR 17 3.751 -0.937 10.798 85 HB3 TYR 17 2HB TYR 17 3.800 -2.649 10.395 86 HD1 TYR 17 1HD TYR 17 5.493 0.597 9.840 87 HD2 TYR 17 2HD TYR 17 5.759 -3.636 9.505 88 HE1 TYR 17 1HE TYR 17 7.891 0.794 9.330 89 HE2 TYR 17 2HE TYR 17 8.158 -3.451 8.995 90 HH TYR 17 HH TYR 17 9.863 -2.078 8.635 91 H GLY 18 H GLY 18 1.659 0.618 9.426 92 HA2 GLY 18 1HA GLY 18 3.095 2.837 9.094 93 HA3 GLY 18 2HA GLY 18 2.811 2.386 7.419 94 HA PRO 19 HA PRO 19 -0.785 4.853 9.336 95 HB2 PRO 19 1HB PRO 19 -0.292 7.253 8.167 96 HB3 PRO 19 2HB PRO 19 0.351 6.806 9.752 97 HG2 PRO 19 1HG PRO 19 1.695 6.747 7.078 98 HG3 PRO 19 2HG PRO 19 2.330 7.303 8.637 99 HD2 PRO 19 1HD PRO 19 2.928 4.873 7.602 100 HD3 PRO 19 2HD PRO 19 2.803 5.162 9.350 101 H GLY 20 H GLY 20 0.630 4.297 6.241 102 HA2 GLY 20 1HA GLY 20 -1.523 5.319 4.658 103 HA3 GLY 20 2HA GLY 20 -0.236 4.259 4.104 104 H LEU 21 H LEU 21 -0.855 2.263 6.205 105 HA LEU 21 HA LEU 21 -2.892 0.848 4.725 106 HB2 LEU 21 1HB LEU 21 -1.588 -0.097 7.256 107 HB3 LEU 21 2HB LEU 21 -2.268 -1.058 5.945 108 HG LEU 21 HG LEU 21 0.115 0.661 5.412 109 HD11 LEU 21 1HD1 LEU 21 0.533 -0.652 7.513 110 HD12 LEU 21 2HD1 LEU 21 1.630 -0.997 6.176 111 HD13 LEU 21 3HD1 LEU 21 0.321 -2.116 6.553 112 HD21 LEU 21 1HD2 LEU 21 -1.422 -1.103 3.924 113 HD22 LEU 21 2HD2 LEU 21 0.031 -2.021 4.321 114 HD23 LEU 21 3HD2 LEU 21 0.166 -0.468 3.494 115 H GLU 22 H GLU 22 -2.537 2.350 7.886 116 HA GLU 22 HA GLU 22 -5.159 1.458 8.746 117 HB2 GLU 22 1HB GLU 22 -2.905 2.964 9.999 118 HB3 GLU 22 2HB GLU 22 -4.515 3.137 10.684 119 HG2 GLU 22 1HG GLU 22 -3.480 0.400 10.171 120 HG3 GLU 22 2HG GLU 22 -2.844 1.304 11.544 121 H GLY 23 H GLY 23 -3.729 4.194 7.210 122 HA2 GLY 23 1HA GLY 23 -5.300 5.635 5.987 123 HA3 GLY 23 2HA GLY 23 -6.311 5.615 7.425 124 H GLY 24 H GLY 24 -5.669 8.013 6.338 125 HA2 GLY 24 1HA GLY 24 -4.157 9.218 8.502 126 HA3 GLY 24 2HA GLY 24 -3.441 9.399 6.907 127 H THR 25 H THR 25 -3.843 11.321 6.065 128 HA THR 25 HA THR 25 -6.542 12.452 6.367 129 HB THR 25 HB THR 25 -3.918 13.882 6.773 130 HG1 THR 25 1HG THR 25 -4.558 13.491 8.757 131 HG21 THR 25 1HG2 THR 25 -5.324 15.212 5.255 132 HG22 THR 25 2HG2 THR 25 -5.166 15.976 6.837 133 HG23 THR 25 3HG2 THR 25 -6.649 15.121 6.414 134 H THR 26 H THR 26 -7.181 13.915 4.689 135 HA THR 26 HA THR 26 -6.359 13.079 2.104 136 HB THR 26 HB THR 26 -7.825 15.009 1.324 137 HG1 THR 26 1HG THR 26 -9.017 16.067 2.896 138 HG21 THR 26 1HG2 THR 26 -8.545 12.595 1.743 139 HG22 THR 26 2HG2 THR 26 -9.818 13.816 1.724 140 HG23 THR 26 3HG2 THR 26 -9.227 13.181 3.260 141 H GLY 27 H GLY 27 -5.264 14.209 0.488 142 HA2 GLY 27 1HA GLY 27 -3.775 15.713 -0.418 143 HA3 GLY 27 2HA GLY 27 -4.218 16.832 0.863 144 H VAL 28 H VAL 28 -3.219 13.817 2.034 145 HA VAL 28 HA VAL 28 -0.513 14.870 2.546 146 HB VAL 28 HB VAL 28 -2.276 13.235 4.371 147 HG11 VAL 28 1HG1 VAL 28 -0.305 13.528 5.969 148 HG12 VAL 28 2HG1 VAL 28 -0.139 12.322 4.692 149 HG13 VAL 28 3HG1 VAL 28 0.650 13.892 4.533 150 HG21 VAL 28 1HG2 VAL 28 -2.567 15.104 5.627 151 HG22 VAL 28 2HG2 VAL 28 -0.987 15.767 5.211 152 HG23 VAL 28 3HG2 VAL 28 -2.323 15.886 4.066 153 H SER 29 H SER 29 0.912 13.755 1.390 154 HA SER 29 HA SER 29 0.470 11.239 0.241 155 HB2 SER 29 1HB SER 29 2.987 11.238 -0.085 156 HB3 SER 29 2HB SER 29 2.141 12.647 -0.723 157 HG SER 29 HG SER 29 4.159 12.763 0.810 158 H SER 30 H SER 30 0.005 9.510 1.456 159 HA SER 30 HA SER 30 1.371 9.049 3.975 160 HB2 SER 30 1HB SER 30 -0.730 7.381 2.569 161 HB3 SER 30 2HB SER 30 -0.162 7.152 4.223 162 HG SER 30 HG SER 30 -1.218 8.919 4.854 163 H GLU 31 H GLU 31 2.227 6.835 4.437 164 HA GLU 31 HA GLU 31 3.201 5.302 2.196 165 HB2 GLU 31 1HB GLU 31 4.998 6.736 2.035 166 HB3 GLU 31 2HB GLU 31 4.967 7.139 3.746 167 HG2 GLU 31 1HG GLU 31 5.681 4.363 2.979 168 HG3 GLU 31 2HG GLU 31 6.864 5.639 2.698 169 H PHE 32 H PHE 32 3.970 3.260 2.782 170 HA PHE 32 HA PHE 32 4.043 2.584 5.620 171 HB2 PHE 32 1HB PHE 32 2.532 0.661 5.296 172 HB3 PHE 32 2HB PHE 32 1.719 2.191 4.983 173 HD1 PHE 32 1HD PHE 32 3.245 -0.764 3.384 174 HD2 PHE 32 2HD PHE 32 0.783 2.670 2.872 175 HE1 PHE 32 1HE PHE 32 2.562 -1.588 1.169 176 HE2 PHE 32 2HE PHE 32 0.095 1.851 0.657 177 HZ PHE 32 HZ PHE 32 0.984 -0.281 -0.198 178 H ILE 33 H ILE 33 5.321 0.824 6.113 179 HA ILE 33 HA ILE 33 7.033 -0.105 3.928 180 HB ILE 33 HB ILE 33 7.370 -0.101 6.918 181 HG12 ILE 33 1HG1 ILE 33 9.071 1.024 4.682 182 HG13 ILE 33 2HG1 ILE 33 7.917 1.954 5.632 183 HG21 ILE 33 1HG2 ILE 33 9.617 -1.174 6.419 184 HG22 ILE 33 2HG2 ILE 33 8.203 -2.223 6.338 185 HG23 ILE 33 3HG2 ILE 33 8.938 -1.618 4.853 186 HD11 ILE 33 1HD1 ILE 33 10.639 1.209 6.238 187 HD12 ILE 33 2HD1 ILE 33 9.603 2.424 6.989 188 HD13 ILE 33 3HD1 ILE 33 9.528 0.746 7.526 189 H VAL 34 H VAL 34 7.405 -2.273 3.505 190 HA VAL 34 HA VAL 34 5.482 -4.142 4.732 191 HB VAL 34 HB VAL 34 6.654 -4.296 1.952 192 HG11 VAL 34 1HG1 VAL 34 4.353 -5.863 2.151 193 HG12 VAL 34 2HG1 VAL 34 6.022 -6.427 2.038 194 HG13 VAL 34 3HG1 VAL 34 5.271 -6.198 3.618 195 HG21 VAL 34 1HG2 VAL 34 4.695 -2.572 2.817 196 HG22 VAL 34 2HG2 VAL 34 4.932 -3.111 1.155 197 HG23 VAL 34 3HG2 VAL 34 3.772 -3.939 2.193 198 H ASN 35 H ASN 35 6.639 -5.198 6.246 199 HA ASN 35 HA ASN 35 9.391 -5.862 5.963 200 HB2 ASN 35 1HB ASN 35 8.736 -5.655 8.187 201 HB3 ASN 35 2HB ASN 35 7.240 -6.549 7.935 202 HD21 ASN 35 1HD2 ASN 35 10.754 -6.958 7.878 203 HD22 ASN 35 2HD2 ASN 35 10.751 -8.568 8.504 204 H THR 36 H THR 36 9.870 -7.151 4.260 205 HA THR 36 HA THR 36 8.445 -9.722 4.054 206 HB THR 36 HB THR 36 9.074 -9.829 1.731 207 HG1 THR 36 1HG THR 36 10.688 -7.626 2.426 208 HG21 THR 36 1HG2 THR 36 7.609 -8.257 0.908 209 HG22 THR 36 2HG2 THR 36 8.212 -6.982 1.967 210 HG23 THR 36 3HG2 THR 36 7.167 -8.246 2.615 211 H LEU 37 H LEU 37 11.213 -8.423 5.235 212 HA LEU 37 HA LEU 37 13.293 -10.011 4.311 213 HB2 LEU 37 1HB LEU 37 12.888 -9.054 7.140 214 HB3 LEU 37 2HB LEU 37 14.417 -9.522 6.400 215 HG LEU 37 HG LEU 37 12.782 -7.190 5.425 216 HD11 LEU 37 1HD1 LEU 37 13.408 -6.912 7.814 217 HD12 LEU 37 2HD1 LEU 37 14.160 -5.735 6.738 218 HD13 LEU 37 3HD1 LEU 37 15.100 -7.097 7.348 219 HD21 LEU 37 1HD2 LEU 37 14.323 -7.864 3.782 220 HD22 LEU 37 2HD2 LEU 37 15.587 -8.170 4.973 221 HD23 LEU 37 3HD2 LEU 37 15.095 -6.514 4.614 222 H ASN 38 H ASN 38 10.941 -10.656 6.879 223 HA ASN 38 HA ASN 38 12.030 -13.060 7.809 224 HB2 ASN 38 1HB ASN 38 9.277 -11.869 7.843 225 HB3 ASN 38 2HB ASN 38 9.522 -13.521 8.405 226 HD21 ASN 38 1HD2 ASN 38 9.855 -10.203 9.114 227 HD22 ASN 38 2HD2 ASN 38 10.553 -10.372 10.686 228 H ALA 39 H ALA 39 9.999 -12.353 5.048 229 HA ALA 39 HA ALA 39 9.163 -14.973 4.453 230 HB1 ALA 39 1HB ALA 39 8.109 -14.003 2.742 231 HB2 ALA 39 2HB ALA 39 8.712 -12.477 3.391 232 HB3 ALA 39 3HB ALA 39 9.599 -13.303 2.109 233 H GLY 40 H GLY 40 11.858 -13.068 3.088 234 HA2 GLY 40 1HA GLY 40 14.016 -14.355 2.998 235 HA3 GLY 40 2HA GLY 40 13.071 -15.622 2.229 236 H SER 41 H SER 41 11.863 -14.879 0.212 237 HA SER 41 HA SER 41 12.958 -12.676 -1.252 238 HB2 SER 41 1HB SER 41 13.945 -14.101 -3.073 239 HB3 SER 41 2HB SER 41 14.844 -14.143 -1.557 240 HG SER 41 HG SER 41 13.961 -16.142 -1.112 241 H GLY 42 H GLY 42 11.753 -12.172 -3.063 242 HA2 GLY 42 1HA GLY 42 10.160 -13.664 -4.653 243 HA3 GLY 42 2HA GLY 42 9.169 -13.465 -3.215 244 H ALA 43 H ALA 43 7.899 -12.481 -5.161 245 HA ALA 43 HA ALA 43 8.643 -9.673 -5.563 246 HB1 ALA 43 1HB ALA 43 8.102 -10.285 -7.655 247 HB2 ALA 43 2HB ALA 43 7.129 -11.654 -7.113 248 HB3 ALA 43 3HB ALA 43 6.444 -10.029 -7.110 249 H LEU 44 H LEU 44 6.815 -8.083 -5.556 250 HA LEU 44 HA LEU 44 4.753 -8.749 -3.574 251 HB2 LEU 44 1HB LEU 44 6.277 -7.622 -2.228 252 HB3 LEU 44 2HB LEU 44 6.723 -6.497 -3.510 253 HG LEU 44 HG LEU 44 4.336 -5.574 -3.249 254 HD11 LEU 44 1HD1 LEU 44 3.996 -6.000 -0.542 255 HD12 LEU 44 2HD1 LEU 44 4.397 -7.597 -1.172 256 HD13 LEU 44 3HD1 LEU 44 3.033 -6.703 -1.842 257 HD21 LEU 44 1HD2 LEU 44 5.324 -3.892 -2.172 258 HD22 LEU 44 2HD2 LEU 44 6.770 -4.901 -2.132 259 HD23 LEU 44 3HD2 LEU 44 5.663 -4.890 -0.758 260 H SER 45 H SER 45 2.797 -7.694 -3.816 261 HA SER 45 HA SER 45 2.545 -5.950 -6.176 262 HB2 SER 45 1HB SER 45 1.648 -8.086 -6.818 263 HB3 SER 45 2HB SER 45 0.726 -8.209 -5.320 264 HG SER 45 HG SER 45 -0.006 -7.100 -7.625 265 H VAL 46 H VAL 46 1.539 -4.074 -5.832 266 HA VAL 46 HA VAL 46 -0.130 -3.796 -3.421 267 HB VAL 46 HB VAL 46 1.819 -1.736 -4.464 268 HG11 VAL 46 1HG1 VAL 46 1.198 -0.670 -2.200 269 HG12 VAL 46 2HG1 VAL 46 0.068 -0.509 -3.546 270 HG13 VAL 46 3HG1 VAL 46 -0.231 -1.700 -2.279 271 HG21 VAL 46 1HG2 VAL 46 3.202 -2.204 -2.630 272 HG22 VAL 46 2HG2 VAL 46 1.952 -3.142 -1.814 273 HG23 VAL 46 3HG2 VAL 46 2.742 -3.789 -3.252 274 H THR 47 H THR 47 -1.932 -2.499 -3.593 275 HA THR 47 HA THR 47 -2.426 -0.886 -5.920 276 HB THR 47 HB THR 47 -4.592 -2.189 -6.435 277 HG1 THR 47 1HG THR 47 -3.157 -4.452 -5.586 278 HG21 THR 47 1HG2 THR 47 -3.557 -3.212 -8.219 279 HG22 THR 47 2HG2 THR 47 -2.187 -3.757 -7.251 280 HG23 THR 47 3HG2 THR 47 -2.308 -2.065 -7.735 281 H ILE 48 H ILE 48 -4.100 0.556 -5.625 282 HA ILE 48 HA ILE 48 -5.547 0.365 -3.064 283 HB ILE 48 HB ILE 48 -4.590 2.929 -4.337 284 HG12 ILE 48 1HG1 ILE 48 -3.498 1.553 -1.876 285 HG13 ILE 48 2HG1 ILE 48 -2.743 1.468 -3.464 286 HG21 ILE 48 1HG2 ILE 48 -6.567 2.404 -2.402 287 HG22 ILE 48 2HG2 ILE 48 -5.193 3.106 -1.550 288 HG23 ILE 48 3HG2 ILE 48 -5.926 3.968 -2.902 289 HD11 ILE 48 1HD1 ILE 48 -2.183 3.738 -3.437 290 HD12 ILE 48 2HD1 ILE 48 -3.285 4.081 -2.102 291 HD13 ILE 48 3HD1 ILE 48 -1.813 3.153 -1.815 292 H ASP 49 H ASP 49 -7.691 0.870 -3.070 293 HA ASP 49 HA ASP 49 -8.874 1.937 -5.528 294 HB2 ASP 49 1HB ASP 49 -8.912 -0.694 -5.263 295 HB3 ASP 49 2HB ASP 49 -10.263 -0.344 -4.188 296 H GLY 50 H GLY 50 -9.725 3.786 -4.791 297 HA2 GLY 50 1HA GLY 50 -11.579 3.599 -2.507 298 HA3 GLY 50 2HA GLY 50 -10.389 4.891 -2.577 299 HA PRO 51 HA PRO 51 -14.320 6.439 -4.480 300 HB2 PRO 51 1HB PRO 51 -14.293 8.816 -3.169 301 HB3 PRO 51 2HB PRO 51 -15.010 7.351 -2.487 302 HG2 PRO 51 1HG PRO 51 -12.324 8.566 -1.964 303 HG3 PRO 51 2HG PRO 51 -13.481 7.871 -0.814 304 HD2 PRO 51 1HD PRO 51 -11.312 6.513 -1.698 305 HD3 PRO 51 2HD PRO 51 -12.838 5.708 -1.281 306 H SER 52 H SER 52 -11.044 7.347 -4.368 307 HA SER 52 HA SER 52 -11.288 8.771 -6.872 308 HB2 SER 52 1HB SER 52 -11.548 10.420 -4.841 309 HB3 SER 52 2HB SER 52 -9.798 10.238 -4.724 310 HG SER 52 HG SER 52 -10.936 10.793 -7.222 311 H LYS 53 H LYS 53 -9.837 7.723 -8.052 312 HA LYS 53 HA LYS 53 -7.837 6.077 -7.405 313 HB2 LYS 53 1HB LYS 53 -8.452 6.643 -9.723 314 HB3 LYS 53 2HB LYS 53 -7.626 8.187 -9.562 315 HG2 LYS 53 1HG LYS 53 -5.506 6.998 -9.210 316 HG3 LYS 53 2HG LYS 53 -6.349 5.463 -9.430 317 HD2 LYS 53 1HD LYS 53 -6.530 7.585 -11.531 318 HD3 LYS 53 2HD LYS 53 -5.101 6.553 -11.439 319 HE2 LYS 53 1HE LYS 53 -6.413 4.586 -11.754 320 HE3 LYS 53 2HE LYS 53 -7.916 5.489 -11.572 321 HZ1 LYS 53 1HZ LYS 53 -7.919 5.813 -13.746 322 HZ2 LYS 53 2HZ LYS 53 -6.445 5.001 -13.913 323 HZ3 LYS 53 3HZ LYS 53 -6.464 6.670 -13.638 324 H VAL 54 H VAL 54 -5.763 6.114 -6.665 325 HA VAL 54 HA VAL 54 -4.682 8.741 -5.873 326 HB VAL 54 HB VAL 54 -3.742 7.780 -3.888 327 HG11 VAL 54 1HG1 VAL 54 -6.642 7.303 -4.391 328 HG12 VAL 54 2HG1 VAL 54 -5.936 6.777 -2.861 329 HG13 VAL 54 3HG1 VAL 54 -5.860 8.475 -3.332 330 HG21 VAL 54 1HG2 VAL 54 -3.081 5.619 -4.570 331 HG22 VAL 54 2HG2 VAL 54 -4.290 5.372 -3.310 332 HG23 VAL 54 3HG2 VAL 54 -4.729 5.167 -5.005 333 H GLN 55 H GLN 55 -2.566 9.152 -6.295 334 HA GLN 55 HA GLN 55 -1.221 7.332 -8.103 335 HB2 GLN 55 1HB GLN 55 -1.366 9.912 -8.299 336 HB3 GLN 55 2HB GLN 55 -0.077 9.924 -7.103 337 HG2 GLN 55 1HG GLN 55 1.453 8.971 -8.544 338 HG3 GLN 55 2HG GLN 55 0.203 8.283 -9.579 339 HE21 GLN 55 1HE2 GLN 55 1.350 11.443 -8.446 340 HE22 GLN 55 2HE2 GLN 55 1.170 12.245 -9.966 341 H LEU 56 H LEU 56 -0.310 5.637 -7.084 342 HA LEU 56 HA LEU 56 1.154 6.046 -4.598 343 HB2 LEU 56 1HB LEU 56 1.274 3.652 -4.459 344 HB3 LEU 56 2HB LEU 56 -0.380 4.135 -4.829 345 HG LEU 56 HG LEU 56 0.406 3.648 -7.306 346 HD11 LEU 56 1HD1 LEU 56 2.722 3.022 -6.077 347 HD12 LEU 56 2HD1 LEU 56 2.195 2.316 -7.604 348 HD13 LEU 56 3HD1 LEU 56 1.933 1.444 -6.093 349 HD21 LEU 56 1HD2 LEU 56 -1.335 2.512 -5.725 350 HD22 LEU 56 2HD2 LEU 56 -0.117 1.239 -5.623 351 HD23 LEU 56 3HD2 LEU 56 -0.795 1.689 -7.189 352 H ASP 57 H ASP 57 3.339 5.721 -4.346 353 HA ASP 57 HA ASP 57 4.893 5.354 -6.824 354 HB2 ASP 57 1HB ASP 57 5.123 7.391 -4.667 355 HB3 ASP 57 2HB ASP 57 6.622 6.776 -5.359 356 H CYS 58 H CYS 58 5.850 3.435 -6.757 357 HA CYS 58 HA CYS 58 6.406 2.081 -4.291 358 HB2 CYS 58 1HB CYS 58 5.812 1.133 -6.689 359 HB3 CYS 58 2HB CYS 58 7.560 1.168 -6.892 360 HG CYS 58 HG CYS 58 6.289 -1.386 -6.057 361 H ARG 59 H ARG 59 8.296 1.872 -3.224 362 HA ARG 59 HA ARG 59 10.763 2.820 -4.470 363 HB2 ARG 59 1HB ARG 59 9.403 4.052 -2.126 364 HB3 ARG 59 2HB ARG 59 11.157 3.927 -2.079 365 HG2 ARG 59 1HG ARG 59 9.877 5.068 -4.508 366 HG3 ARG 59 2HG ARG 59 9.965 6.053 -3.047 367 HD2 ARG 59 1HD ARG 59 12.344 5.884 -2.988 368 HD3 ARG 59 2HD ARG 59 12.345 4.667 -4.264 369 HE ARG 59 HE ARG 59 12.131 7.525 -4.582 370 HH11 ARG 59 1HH1 ARG 59 11.572 4.407 -6.026 371 HH12 ARG 59 2HH1 ARG 59 11.585 5.011 -7.650 372 HH21 ARG 59 1HH2 ARG 59 12.151 8.333 -6.716 373 HH22 ARG 59 2HH2 ARG 59 11.916 7.244 -8.041 374 H GLU 60 H GLU 60 12.687 2.334 -3.051 375 HA GLU 60 HA GLU 60 12.328 -0.333 -1.905 376 HB2 GLU 60 1HB GLU 60 14.599 1.139 -3.143 377 HB3 GLU 60 2HB GLU 60 14.984 -0.063 -1.919 378 HG2 GLU 60 1HG GLU 60 13.125 -0.836 -4.099 379 HG3 GLU 60 2HG GLU 60 14.838 -0.672 -4.479 380 H CYS 61 H CYS 61 13.145 -0.904 0.130 381 HA CYS 61 HA CYS 61 14.114 1.226 1.869 382 HB2 CYS 61 1HB CYS 61 12.447 0.526 3.640 383 HB3 CYS 61 2HB CYS 61 11.775 1.413 2.276 384 HG CYS 61 HG CYS 61 11.164 -1.256 1.059 385 HA PRO 62 HA PRO 62 16.641 -1.948 3.541 386 HB2 PRO 62 1HB PRO 62 16.979 -1.060 6.084 387 HB3 PRO 62 2HB PRO 62 17.747 -0.294 4.689 388 HG2 PRO 62 1HG PRO 62 15.274 0.513 6.170 389 HG3 PRO 62 2HG PRO 62 16.601 1.527 5.571 390 HD2 PRO 62 1HD PRO 62 14.241 1.294 4.265 391 HD3 PRO 62 2HD PRO 62 15.780 1.547 3.418 392 H GLU 63 H GLU 63 13.460 -1.563 4.436 393 HA GLU 63 HA GLU 63 13.561 -3.831 6.312 394 HB2 GLU 63 1HB GLU 63 11.571 -1.590 5.996 395 HB3 GLU 63 2HB GLU 63 11.200 -3.050 6.904 396 HG2 GLU 63 1HG GLU 63 13.682 -1.555 7.565 397 HG3 GLU 63 2HG GLU 63 12.130 -0.901 8.086 398 H GLY 64 H GLY 64 12.924 -3.075 3.155 399 HA2 GLY 64 1HA GLY 64 12.279 -5.315 2.019 400 HA3 GLY 64 2HA GLY 64 10.770 -5.056 2.881 401 H HIS 65 H HIS 65 9.225 -3.885 1.925 402 HA HIS 65 HA HIS 65 9.984 -2.250 -0.405 403 HB2 HIS 65 1HB HIS 65 7.451 -3.880 -0.136 404 HB3 HIS 65 2HB HIS 65 7.954 -2.942 -1.539 405 HD1 HIS 65 1HD HIS 65 9.138 -4.220 -3.296 406 HD2 HIS 65 2HD HIS 65 9.351 -6.105 0.400 407 HE1 HIS 65 1HE HIS 65 10.298 -6.410 -3.724 408 HE2 HIS 65 2HE HIS 65 10.339 -7.570 -1.488 409 H VAL 66 H VAL 66 9.017 -0.278 -0.620 410 HA VAL 66 HA VAL 66 6.991 0.469 1.377 411 HB VAL 66 HB VAL 66 9.329 1.273 1.981 412 HG11 VAL 66 1HG1 VAL 66 9.044 3.533 0.121 413 HG12 VAL 66 2HG1 VAL 66 10.492 2.685 0.667 414 HG13 VAL 66 3HG1 VAL 66 9.500 1.999 -0.620 415 HG21 VAL 66 1HG2 VAL 66 6.865 2.391 2.356 416 HG22 VAL 66 2HG2 VAL 66 8.351 2.923 3.142 417 HG23 VAL 66 3HG2 VAL 66 7.783 3.739 1.686 418 H VAL 67 H VAL 67 5.568 2.139 0.761 419 HA VAL 67 HA VAL 67 5.702 3.010 -2.038 420 HB VAL 67 HB VAL 67 3.337 1.680 -0.724 421 HG11 VAL 67 1HG1 VAL 67 2.294 3.469 -1.764 422 HG12 VAL 67 2HG1 VAL 67 3.458 3.509 -3.090 423 HG13 VAL 67 3HG1 VAL 67 2.252 2.224 -3.011 424 HG21 VAL 67 1HG2 VAL 67 4.816 0.110 -1.738 425 HG22 VAL 67 2HG2 VAL 67 3.432 0.298 -2.814 426 HG23 VAL 67 3HG2 VAL 67 4.958 1.094 -3.194 427 H THR 68 H THR 68 4.649 4.966 -2.488 428 HA THR 68 HA THR 68 3.640 6.450 -0.155 429 HB THR 68 HB THR 68 5.307 7.792 -2.271 430 HG1 THR 68 1HG THR 68 6.147 6.396 0.046 431 HG21 THR 68 1HG2 THR 68 5.317 8.733 0.511 432 HG22 THR 68 2HG2 THR 68 3.744 8.810 -0.283 433 HG23 THR 68 3HG2 THR 68 5.132 9.637 -0.991 434 H TYR 69 H TYR 69 1.595 6.967 -0.536 435 HA TYR 69 HA TYR 69 0.849 7.845 -3.246 436 HB2 TYR 69 1HB TYR 69 -1.206 6.689 -3.140 437 HB3 TYR 69 2HB TYR 69 -0.009 5.537 -2.559 438 HD1 TYR 69 1HD TYR 69 -2.548 7.990 -1.387 439 HD2 TYR 69 2HD TYR 69 -0.265 4.519 -0.469 440 HE1 TYR 69 1HE TYR 69 -3.854 7.684 0.675 441 HE2 TYR 69 2HE TYR 69 -1.565 4.202 1.595 442 HH TYR 69 HH TYR 69 -3.106 5.069 2.952 443 H THR 70 H THR 70 -1.090 9.238 -3.295 444 HA THR 70 HA THR 70 -1.389 10.812 -0.822 445 HB THR 70 HB THR 70 -1.302 11.947 -3.623 446 HG1 THR 70 1HG THR 70 0.753 11.201 -2.631 447 HG21 THR 70 1HG2 THR 70 -2.322 12.972 -1.156 448 HG22 THR 70 2HG2 THR 70 -2.265 13.750 -2.738 449 HG23 THR 70 3HG2 THR 70 -0.904 13.908 -1.628 450 HA PRO 71 HA PRO 71 -5.672 9.816 -1.540 451 HB2 PRO 71 1HB PRO 71 -6.637 11.177 0.602 452 HB3 PRO 71 2HB PRO 71 -5.843 9.603 0.742 453 HG2 PRO 71 1HG PRO 71 -4.722 12.339 1.212 454 HG3 PRO 71 2HG PRO 71 -4.504 10.861 2.167 455 HD2 PRO 71 1HD PRO 71 -2.639 11.754 0.420 456 HD3 PRO 71 2HD PRO 71 -2.895 10.027 0.743 457 H MET 72 H MET 72 -7.521 10.877 -2.279 458 HA MET 72 HA MET 72 -7.208 13.761 -2.797 459 HB2 MET 72 1HB MET 72 -8.224 11.571 -4.593 460 HB3 MET 72 2HB MET 72 -8.655 13.254 -4.866 461 HG2 MET 72 1HG MET 72 -6.033 13.567 -4.702 462 HG3 MET 72 2HG MET 72 -6.055 11.879 -5.207 463 HE1 MET 72 1HE MET 72 -7.652 11.082 -7.136 464 HE2 MET 72 2HE MET 72 -7.467 11.869 -8.704 465 HE3 MET 72 3HE MET 72 -6.045 11.290 -7.834 466 H ALA 73 H ALA 73 -9.194 11.214 -1.633 467 HA ALA 73 HA ALA 73 -11.195 13.149 -0.786 468 HB1 ALA 73 1HB ALA 73 -12.581 12.623 -2.457 469 HB2 ALA 73 2HB ALA 73 -11.650 11.192 -2.901 470 HB3 ALA 73 3HB ALA 73 -12.832 11.104 -1.595 471 HA PRO 74 HA PRO 74 -11.055 10.692 2.864 472 HB2 PRO 74 1HB PRO 74 -13.406 11.455 3.990 473 HB3 PRO 74 2HB PRO 74 -11.982 12.501 3.936 474 HG2 PRO 74 1HG PRO 74 -14.390 12.487 2.158 475 HG3 PRO 74 2HG PRO 74 -13.529 13.867 2.865 476 HD2 PRO 74 1HD PRO 74 -13.171 13.086 0.297 477 HD3 PRO 74 2HD PRO 74 -11.872 13.814 1.264 478 H GLY 75 H GLY 75 -11.278 8.542 2.609 479 HA2 GLY 75 1HA GLY 75 -13.862 7.347 2.845 480 HA3 GLY 75 2HA GLY 75 -13.218 7.164 1.220 481 H ASN 76 H ASN 76 -13.396 4.849 1.796 482 HA ASN 76 HA ASN 76 -11.163 3.935 3.477 483 HB2 ASN 76 1HB ASN 76 -13.493 2.285 2.488 484 HB3 ASN 76 2HB ASN 76 -12.329 1.852 3.736 485 HD21 ASN 76 1HD2 ASN 76 -15.298 3.311 3.054 486 HD22 ASN 76 2HD2 ASN 76 -15.641 3.917 4.635 487 H TYR 77 H TYR 77 -9.463 3.998 2.057 488 HA TYR 77 HA TYR 77 -9.651 2.967 -0.610 489 HB2 TYR 77 1HB TYR 77 -7.255 3.750 1.061 490 HB3 TYR 77 2HB TYR 77 -7.182 3.312 -0.642 491 HD1 TYR 77 1HD TYR 77 -8.427 5.828 1.755 492 HD2 TYR 77 2HD TYR 77 -7.801 4.866 -2.342 493 HE1 TYR 77 1HE TYR 77 -8.883 8.166 1.143 494 HE2 TYR 77 2HE TYR 77 -8.255 7.201 -2.966 495 HH TYR 77 HH TYR 77 -9.402 9.153 -2.082 496 H LEU 78 H LEU 78 -9.555 0.911 -1.196 497 HA LEU 78 HA LEU 78 -8.868 -1.135 0.715 498 HB2 LEU 78 1HB LEU 78 -10.704 -1.162 -1.119 499 HB3 LEU 78 2HB LEU 78 -9.387 -1.640 -2.188 500 HG LEU 78 HG LEU 78 -10.755 -3.534 -1.334 501 HD11 LEU 78 1HD1 LEU 78 -8.267 -4.281 -0.125 502 HD12 LEU 78 2HD1 LEU 78 -7.968 -3.301 -1.560 503 HD13 LEU 78 3HD1 LEU 78 -8.945 -4.765 -1.679 504 HD21 LEU 78 1HD2 LEU 78 -10.810 -4.145 0.902 505 HD22 LEU 78 2HD2 LEU 78 -10.965 -2.390 0.977 506 HD23 LEU 78 3HD2 LEU 78 -9.411 -3.154 1.314 507 H ILE 79 H ILE 79 -6.734 -1.274 1.137 508 HA ILE 79 HA ILE 79 -4.805 -1.160 -1.044 509 HB ILE 79 HB ILE 79 -4.406 -1.388 1.940 510 HG12 ILE 79 1HG1 ILE 79 -3.856 0.910 0.050 511 HG13 ILE 79 2HG1 ILE 79 -5.269 0.792 1.094 512 HG21 ILE 79 1HG2 ILE 79 -2.619 -1.990 -0.201 513 HG22 ILE 79 2HG2 ILE 79 -2.047 -0.551 0.642 514 HG23 ILE 79 3HG2 ILE 79 -2.326 -2.044 1.537 515 HD11 ILE 79 1HD1 ILE 79 -3.026 0.421 2.742 516 HD12 ILE 79 2HD1 ILE 79 -2.667 1.789 1.688 517 HD13 ILE 79 3HD1 ILE 79 -4.121 1.802 2.685 518 H ALA 80 H ALA 80 -4.636 -3.001 -2.166 519 HA ALA 80 HA ALA 80 -4.779 -5.570 -0.783 520 HB1 ALA 80 1HB ALA 80 -4.985 -4.714 -3.634 521 HB2 ALA 80 2HB ALA 80 -4.556 -6.383 -3.254 522 HB3 ALA 80 3HB ALA 80 -6.080 -5.710 -2.676 523 H ILE 81 H ILE 81 -2.978 -6.481 -0.065 524 HA ILE 81 HA ILE 81 -0.476 -6.019 -1.553 525 HB ILE 81 HB ILE 81 -0.724 -6.438 1.427 526 HG12 ILE 81 1HG1 ILE 81 -0.019 -3.922 -0.098 527 HG13 ILE 81 2HG1 ILE 81 -1.578 -4.231 0.659 528 HG21 ILE 81 1HG2 ILE 81 1.526 -6.520 1.556 529 HG22 ILE 81 2HG2 ILE 81 1.392 -7.070 -0.114 530 HG23 ILE 81 3HG2 ILE 81 1.751 -5.378 0.231 531 HD11 ILE 81 1HD1 ILE 81 -0.819 -3.410 2.560 532 HD12 ILE 81 2HD1 ILE 81 0.448 -4.636 2.602 533 HD13 ILE 81 3HD1 ILE 81 0.740 -3.094 1.798 534 H LYS 82 H LYS 82 0.567 -7.776 -2.240 535 HA LYS 82 HA LYS 82 -0.070 -10.369 -1.004 536 HB2 LYS 82 1HB LYS 82 0.103 -9.741 -3.954 537 HB3 LYS 82 2HB LYS 82 0.086 -11.375 -3.302 538 HG2 LYS 82 1HG LYS 82 -2.117 -10.880 -2.270 539 HG3 LYS 82 2HG LYS 82 -2.101 -9.318 -3.093 540 HD2 LYS 82 1HD LYS 82 -1.698 -10.748 -5.229 541 HD3 LYS 82 2HD LYS 82 -2.336 -12.070 -4.247 542 HE2 LYS 82 1HE LYS 82 -4.432 -11.123 -4.099 543 HE3 LYS 82 2HE LYS 82 -3.829 -9.489 -4.371 544 HZ1 LYS 82 1HZ LYS 82 -3.446 -10.044 -6.683 545 HZ2 LYS 82 2HZ LYS 82 -5.064 -10.326 -6.278 546 HZ3 LYS 82 3HZ LYS 82 -3.991 -11.625 -6.429 547 H TYR 83 H TYR 83 1.561 -12.085 -1.828 548 HA TYR 83 HA TYR 83 4.146 -11.244 -2.632 549 HB2 TYR 83 1HB TYR 83 3.889 -10.454 -0.160 550 HB3 TYR 83 2HB TYR 83 4.112 -12.157 0.228 551 HD1 TYR 83 1HD TYR 83 6.244 -13.283 -0.324 552 HD2 TYR 83 2HD TYR 83 5.719 -9.099 -0.891 553 HE1 TYR 83 1HE TYR 83 8.683 -13.003 -0.476 554 HE2 TYR 83 2HE TYR 83 8.156 -8.808 -1.046 555 HH TYR 83 HH TYR 83 10.336 -11.563 -1.102 556 H GLY 84 H GLY 84 5.197 -12.944 -3.467 557 HA2 GLY 84 1HA GLY 84 5.397 -15.110 -4.259 558 HA3 GLY 84 2HA GLY 84 5.573 -15.454 -2.544 559 H GLY 85 H GLY 85 2.827 -14.573 -4.650 560 HA2 GLY 85 1HA GLY 85 1.467 -16.822 -4.999 561 HA3 GLY 85 2HA GLY 85 1.198 -16.571 -3.281 562 HA PRO 86 HA PRO 86 -1.622 -13.919 -6.157 563 HB2 PRO 86 1HB PRO 86 -3.674 -15.632 -6.635 564 HB3 PRO 86 2HB PRO 86 -2.285 -15.470 -7.717 565 HG2 PRO 86 1HG PRO 86 -2.824 -17.540 -5.623 566 HG3 PRO 86 2HG PRO 86 -2.182 -17.748 -7.263 567 HD2 PRO 86 1HD PRO 86 -0.596 -17.735 -5.068 568 HD3 PRO 86 2HD PRO 86 -0.052 -17.124 -6.644 569 H GLN 87 H GLN 87 -1.754 -15.774 -3.339 570 HA GLN 87 HA GLN 87 -4.358 -14.800 -2.487 571 HB2 GLN 87 1HB GLN 87 -3.977 -16.127 -0.473 572 HB3 GLN 87 2HB GLN 87 -3.699 -17.092 -1.916 573 HG2 GLN 87 1HG GLN 87 -1.383 -15.734 -0.639 574 HG3 GLN 87 2HG GLN 87 -2.052 -17.177 0.121 575 HE21 GLN 87 1HE2 GLN 87 0.108 -18.020 -0.354 576 HE22 GLN 87 2HE2 GLN 87 0.402 -18.713 -1.908 577 H HIS 88 H HIS 88 -4.692 -13.440 -0.705 578 HA HIS 88 HA HIS 88 -2.827 -11.320 -0.446 579 HB2 HIS 88 1HB HIS 88 -5.355 -12.014 1.047 580 HB3 HIS 88 2HB HIS 88 -4.402 -10.579 1.417 581 HD1 HIS 88 1HD HIS 88 -5.166 -8.552 0.242 582 HD2 HIS 88 2HD HIS 88 -6.094 -12.000 -1.882 583 HE1 HIS 88 1HE HIS 88 -6.439 -7.773 -1.783 584 HE2 HIS 88 2HE HIS 88 -7.063 -9.883 -3.008 585 H ILE 89 H ILE 89 -1.463 -10.761 1.218 586 HA ILE 89 HA ILE 89 -0.344 -12.891 2.730 587 HB ILE 89 HB ILE 89 1.163 -11.259 3.661 588 HG12 ILE 89 1HG1 ILE 89 -0.346 -9.041 2.305 589 HG13 ILE 89 2HG1 ILE 89 -0.766 -9.545 3.938 590 HG21 ILE 89 1HG2 ILE 89 0.850 -10.192 0.909 591 HG22 ILE 89 2HG2 ILE 89 2.289 -10.786 1.738 592 HG23 ILE 89 3HG2 ILE 89 1.105 -11.927 1.099 593 HD11 ILE 89 1HD1 ILE 89 1.957 -9.232 4.070 594 HD12 ILE 89 2HD1 ILE 89 1.451 -7.929 2.995 595 HD13 ILE 89 3HD1 ILE 89 0.748 -8.066 4.607 596 H VAL 90 H VAL 90 -0.029 -12.818 5.100 597 HA VAL 90 HA VAL 90 -2.423 -12.913 6.491 598 HB VAL 90 HB VAL 90 -0.578 -14.057 7.427 599 HG11 VAL 90 1HG1 VAL 90 1.077 -11.866 8.322 600 HG12 VAL 90 2HG1 VAL 90 1.516 -13.303 7.398 601 HG13 VAL 90 3HG1 VAL 90 0.912 -11.869 6.566 602 HG21 VAL 90 1HG2 VAL 90 -0.674 -11.843 9.399 603 HG22 VAL 90 2HG2 VAL 90 -2.201 -12.603 8.951 604 HG23 VAL 90 3HG2 VAL 90 -0.898 -13.577 9.630 605 H GLY 91 H GLY 91 -3.766 -11.192 6.529 606 HA2 GLY 91 1HA GLY 91 -4.166 -9.286 8.117 607 HA3 GLY 91 2HA GLY 91 -2.653 -8.635 7.506 608 H SER 92 H SER 92 -3.032 -9.252 4.769 609 HA SER 92 HA SER 92 -4.610 -7.007 3.999 610 HB2 SER 92 1HB SER 92 -3.181 -9.152 2.427 611 HB3 SER 92 2HB SER 92 -4.094 -7.858 1.650 612 HG SER 92 HG SER 92 -1.800 -7.646 3.294 613 HA PRO 93 HA PRO 93 -5.499 -6.468 1.845 614 HB2 PRO 93 1HB PRO 93 -7.855 -5.126 1.697 615 HB3 PRO 93 2HB PRO 93 -7.364 -6.340 0.509 616 HG2 PRO 93 1HG PRO 93 -9.217 -6.615 2.844 617 HG3 PRO 93 2HG PRO 93 -9.395 -7.241 1.195 618 HD2 PRO 93 1HD PRO 93 -8.569 -8.787 3.259 619 HD3 PRO 93 2HD PRO 93 -8.009 -9.039 1.593 620 H PHE 94 H PHE 94 -5.644 -4.126 2.466 621 HA PHE 94 HA PHE 94 -6.022 -3.864 5.376 622 HB2 PHE 94 1HB PHE 94 -3.939 -2.677 3.550 623 HB3 PHE 94 2HB PHE 94 -4.270 -2.005 5.143 624 HD1 PHE 94 2HD PHE 94 -4.036 -3.548 7.154 625 HD2 PHE 94 1HD PHE 94 -2.500 -4.485 3.296 626 HE1 PHE 94 2HE PHE 94 -2.511 -5.193 8.164 627 HE2 PHE 94 1HE PHE 94 -0.973 -6.133 4.301 628 HZ PHE 94 HZ PHE 94 -0.976 -6.488 6.738 629 H LYS 95 H LYS 95 -7.739 -2.673 5.839 630 HA LYS 95 HA LYS 95 -8.863 -0.827 3.936 631 HB2 LYS 95 1HB LYS 95 -10.062 -2.351 5.709 632 HB3 LYS 95 2HB LYS 95 -9.767 -0.991 6.785 633 HG2 LYS 95 1HG LYS 95 -11.934 -0.683 5.934 634 HG3 LYS 95 2HG LYS 95 -10.910 0.456 5.056 635 HD2 LYS 95 1HD LYS 95 -12.274 -0.520 3.412 636 HD3 LYS 95 2HD LYS 95 -10.725 -1.354 3.266 637 HE2 LYS 95 1HE LYS 95 -11.550 -3.320 4.089 638 HE3 LYS 95 2HE LYS 95 -12.769 -2.519 5.080 639 HZ1 LYS 95 1HZ LYS 95 -13.427 -1.960 2.458 640 HZ2 LYS 95 2HZ LYS 95 -14.228 -3.016 3.508 641 HZ3 LYS 95 3HZ LYS 95 -13.023 -3.603 2.476 642 H ALA 96 H ALA 96 -8.287 1.224 3.723 643 HA ALA 96 HA ALA 96 -7.047 2.585 6.026 644 HB1 ALA 96 1HB ALA 96 -5.517 2.221 4.128 645 HB2 ALA 96 2HB ALA 96 -6.599 3.162 3.100 646 HB3 ALA 96 3HB ALA 96 -5.787 3.932 4.464 647 H LYS 97 H LYS 97 -8.460 3.920 6.943 648 HA LYS 97 HA LYS 97 -10.437 5.294 5.269 649 HB2 LYS 97 1HB LYS 97 -11.407 4.105 7.121 650 HB3 LYS 97 2HB LYS 97 -10.282 4.846 8.252 651 HG2 LYS 97 1HG LYS 97 -11.350 7.073 7.472 652 HG3 LYS 97 2HG LYS 97 -12.660 6.040 6.897 653 HD2 LYS 97 1HD LYS 97 -11.602 5.893 9.709 654 HD3 LYS 97 2HD LYS 97 -12.899 6.995 9.241 655 HE2 LYS 97 1HE LYS 97 -14.228 5.094 8.462 656 HE3 LYS 97 2HE LYS 97 -12.930 3.994 8.925 657 HZ1 LYS 97 1HZ LYS 97 -13.207 4.713 11.225 658 HZ2 LYS 97 2HZ LYS 97 -14.641 4.058 10.612 659 HZ3 LYS 97 3HZ LYS 97 -14.477 5.735 10.770 660 H VAL 98 H VAL 98 -9.447 7.067 4.442 661 HA VAL 98 HA VAL 98 -7.675 8.706 6.002 662 HB VAL 98 HB VAL 98 -8.914 9.189 3.289 663 HG11 VAL 98 1HG1 VAL 98 -6.980 10.842 3.109 664 HG12 VAL 98 2HG1 VAL 98 -8.354 11.319 4.108 665 HG13 VAL 98 3HG1 VAL 98 -6.873 10.731 4.865 666 HG21 VAL 98 1HG2 VAL 98 -6.714 8.572 2.423 667 HG22 VAL 98 2HG2 VAL 98 -6.150 8.254 4.064 668 HG23 VAL 98 3HG2 VAL 98 -7.420 7.254 3.359 669 H THR 99 H THR 99 -8.022 10.896 6.585 670 HA THR 99 HA THR 99 -10.865 11.580 6.962 671 HB THR 99 HB THR 99 -10.365 12.625 9.023 672 HG1 THR 99 1HG THR 99 -7.698 12.495 8.107 673 HG21 THR 99 1HG2 THR 99 -10.303 10.079 8.953 674 HG22 THR 99 2HG2 THR 99 -9.570 10.849 10.360 675 HG23 THR 99 3HG2 THR 99 -8.550 10.225 9.065 676 H GLY 100 H GLY 100 -11.269 13.960 7.197 677 HA2 GLY 100 1HA GLY 100 -10.616 16.213 6.712 678 HA3 GLY 100 2HA GLY 100 -9.376 15.585 5.638 679 HA PRO 101 HA PRO 101 -13.317 16.843 3.322 680 HB2 PRO 101 1HB PRO 101 -12.311 19.030 2.067 681 HB3 PRO 101 2HB PRO 101 -13.107 19.108 3.644 682 HG2 PRO 101 1HG PRO 101 -10.184 19.062 2.998 683 HG3 PRO 101 2HG PRO 101 -11.053 20.059 4.179 684 HD2 PRO 101 1HD PRO 101 -9.663 17.845 4.884 685 HD3 PRO 101 2HD PRO 101 -11.127 18.366 5.742 686 H ARG 102 H ARG 102 -13.553 16.894 0.969 687 HA ARG 102 HA ARG 102 -11.775 15.061 -0.299 688 HB2 ARG 102 1HB ARG 102 -13.929 14.791 -1.071 689 HB3 ARG 102 2HB ARG 102 -14.256 16.519 -1.079 690 HG2 ARG 102 1HG ARG 102 -13.348 16.825 -3.154 691 HG3 ARG 102 2HG ARG 102 -12.257 15.447 -3.000 692 HD2 ARG 102 1HD ARG 102 -13.879 13.925 -3.594 693 HD3 ARG 102 2HD ARG 102 -15.199 14.969 -3.068 694 HE ARG 102 HE ARG 102 -13.903 16.176 -5.242 695 HH11 ARG 102 1HH1 ARG 102 -15.905 13.421 -4.518 696 HH12 ARG 102 2HH1 ARG 102 -16.612 13.355 -6.099 697 HH21 ARG 102 1HH2 ARG 102 -14.827 16.100 -7.326 698 HH22 ARG 102 2HH2 ARG 102 -15.998 14.879 -7.695 699 H LEU 103 H LEU 103 -9.742 15.979 -0.442 700 HA LEU 103 HA LEU 103 -9.425 18.535 -1.794 701 HB2 LEU 103 1HB LEU 103 -7.478 16.642 -0.499 702 HB3 LEU 103 2HB LEU 103 -6.979 18.097 -1.359 703 HG LEU 103 HG LEU 103 -8.896 18.260 0.940 704 HD11 LEU 103 1HD1 LEU 103 -6.820 16.969 1.583 705 HD12 LEU 103 2HD1 LEU 103 -7.139 18.438 2.503 706 HD13 LEU 103 3HD1 LEU 103 -5.910 18.440 1.238 707 HD21 LEU 103 1HD2 LEU 103 -6.805 20.203 -0.013 708 HD22 LEU 103 2HD2 LEU 103 -8.153 20.505 1.084 709 HD23 LEU 103 3HD2 LEU 103 -8.460 20.187 -0.624 710 H SER 104 H SER 104 -10.482 17.316 -3.708 711 HA SER 104 HA SER 104 -8.698 15.611 -5.209 712 HB2 SER 104 1HB SER 104 -11.336 16.852 -6.029 713 HB3 SER 104 2HB SER 104 -10.482 15.567 -6.885 714 HG SER 104 HG SER 104 -11.469 14.234 -5.615 715 H GLY 105 H GLY 105 -10.221 18.782 -5.830 716 HA2 GLY 105 1HA GLY 105 -8.534 19.340 -8.065 717 HA3 GLY 105 2HA GLY 105 -9.608 20.478 -7.264 718 H SER 106 H SER 106 -7.185 21.332 -8.186 719 HA SER 106 HA SER 106 -5.920 22.168 -5.715 720 HB2 SER 106 1HB SER 106 -4.535 20.472 -7.771 721 HB3 SER 106 2HB SER 106 -3.619 21.635 -6.814 722 HG SER 106 HG SER 106 -5.358 19.905 -5.478 723 H GLY 107 H GLY 107 -4.082 23.767 -6.245 724 HA2 GLY 107 1HA GLY 107 -3.501 25.790 -7.161 725 HA3 GLY 107 2HA GLY 107 -3.893 25.061 -8.712 726 HA PRO 108 HA PRO 108 -6.808 28.594 -7.978 727 HB2 PRO 108 1HB PRO 108 -6.513 29.661 -10.457 728 HB3 PRO 108 2HB PRO 108 -5.443 30.057 -9.107 729 HG2 PRO 108 1HG PRO 108 -5.019 28.130 -11.358 730 HG3 PRO 108 2HG PRO 108 -3.882 29.292 -10.651 731 HD2 PRO 108 1HD PRO 108 -3.840 26.656 -10.036 732 HD3 PRO 108 2HD PRO 108 -3.385 27.916 -8.870 733 H SER 109 H SER 109 -6.624 25.841 -9.886 734 HA SER 109 HA SER 109 -8.511 25.967 -11.824 735 HB2 SER 109 1HB SER 109 -7.174 23.930 -10.938 736 HB3 SER 109 2HB SER 109 -8.568 23.661 -9.891 737 HG SER 109 HG SER 109 -8.620 22.549 -11.962 738 H SER 110 H SER 110 -10.660 26.219 -12.002 739 HA SER 110 HA SER 110 -12.333 26.009 -9.609 740 HB2 SER 110 1HB SER 110 -11.861 28.475 -11.229 741 HB3 SER 110 2HB SER 110 -13.478 28.192 -10.585 742 HG SER 110 HG SER 110 -11.678 29.343 -9.283 743 H GLY 111 H GLY 111 -14.551 25.649 -10.031 744 HA2 GLY 111 1HA GLY 111 -16.341 25.556 -11.729 745 HA3 GLY 111 2HA GLY 111 -15.135 24.912 -12.833 Start of MODEL 15 1 H1 GLY 1 H GLY 1 8.512 -28.145 -21.636 2 HA2 GLY 1 1HA GLY 1 9.847 -30.717 -21.532 3 HA3 GLY 1 2HA GLY 1 9.983 -29.757 -20.067 4 H SER 2 H SER 2 8.648 -30.568 -18.596 5 HA SER 2 HA SER 2 6.040 -31.599 -19.445 6 HB2 SER 2 1HB SER 2 5.952 -32.734 -17.308 7 HB3 SER 2 2HB SER 2 7.522 -33.047 -18.048 8 HG SER 2 HG SER 2 7.326 -32.317 -15.697 9 H SER 3 H SER 3 4.117 -30.998 -18.346 10 HA SER 3 HA SER 3 4.051 -28.207 -17.644 11 HB2 SER 3 1HB SER 3 2.276 -29.690 -18.934 12 HB3 SER 3 2HB SER 3 1.668 -29.981 -17.304 13 HG SER 3 HG SER 3 1.105 -27.919 -17.123 14 H GLY 4 H GLY 4 2.964 -27.411 -15.688 15 HA2 GLY 4 1HA GLY 4 2.132 -28.205 -13.432 16 HA3 GLY 4 2HA GLY 4 3.634 -29.116 -13.372 17 H SER 5 H SER 5 2.115 -26.162 -12.696 18 HA SER 5 HA SER 5 4.642 -25.085 -11.695 19 HB2 SER 5 1HB SER 5 4.179 -24.098 -13.971 20 HB3 SER 5 2HB SER 5 2.721 -23.377 -13.289 21 HG SER 5 HG SER 5 4.086 -22.302 -11.774 22 H SER 6 H SER 6 4.434 -24.348 -9.686 23 HA SER 6 HA SER 6 1.723 -23.732 -8.706 24 HB2 SER 6 1HB SER 6 2.491 -24.482 -6.481 25 HB3 SER 6 2HB SER 6 2.624 -25.767 -7.681 26 HG SER 6 HG SER 6 4.865 -25.172 -7.875 27 H GLY 7 H GLY 7 5.171 -22.996 -8.194 28 HA2 GLY 7 1HA GLY 7 5.747 -20.583 -8.362 29 HA3 GLY 7 2HA GLY 7 4.344 -20.287 -7.346 30 H ALA 8 H ALA 8 6.396 -19.143 -6.338 31 HA ALA 8 HA ALA 8 7.128 -20.803 -4.055 32 HB1 ALA 8 1HB ALA 8 9.280 -19.248 -5.455 33 HB2 ALA 8 2HB ALA 8 9.444 -20.500 -4.223 34 HB3 ALA 8 3HB ALA 8 8.935 -20.931 -5.856 35 H GLY 9 H GLY 9 7.595 -19.637 -2.177 36 HA2 GLY 9 1HA GLY 9 8.250 -17.173 -1.569 37 HA3 GLY 9 2HA GLY 9 6.663 -16.860 -2.257 38 H ASP 10 H ASP 10 7.296 -16.182 0.360 39 HA ASP 10 HA ASP 10 5.485 -17.973 1.823 40 HB2 ASP 10 1HB ASP 10 7.798 -16.693 3.240 41 HB3 ASP 10 2HB ASP 10 6.852 -18.104 3.707 42 HA PRO 11 HA PRO 11 3.804 -13.755 2.143 43 HB2 PRO 11 1HB PRO 11 1.246 -14.585 2.512 44 HB3 PRO 11 2HB PRO 11 1.991 -14.451 0.915 45 HG2 PRO 11 1HG PRO 11 1.598 -16.877 2.625 46 HG3 PRO 11 2HG PRO 11 1.354 -16.687 0.879 47 HD2 PRO 11 1HD PRO 11 3.569 -17.841 1.923 48 HD3 PRO 11 2HD PRO 11 3.600 -16.908 0.413 49 H GLY 12 H GLY 12 2.995 -16.549 4.194 50 HA2 GLY 12 1HA GLY 12 1.967 -15.200 6.392 51 HA3 GLY 12 2HA GLY 12 2.804 -16.743 6.473 52 H LEU 13 H LEU 13 5.252 -15.427 5.310 53 HA LEU 13 HA LEU 13 6.265 -14.412 7.858 54 HB2 LEU 13 1HB LEU 13 7.822 -15.102 5.375 55 HB3 LEU 13 2HB LEU 13 8.458 -14.842 6.998 56 HG LEU 13 HG LEU 13 6.788 -17.172 6.060 57 HD11 LEU 13 1HD1 LEU 13 9.600 -16.665 6.121 58 HD12 LEU 13 2HD1 LEU 13 8.738 -18.098 5.561 59 HD13 LEU 13 3HD1 LEU 13 9.210 -17.959 7.255 60 HD21 LEU 13 1HD2 LEU 13 6.820 -18.022 8.252 61 HD22 LEU 13 2HD2 LEU 13 6.330 -16.335 8.417 62 HD23 LEU 13 3HD2 LEU 13 7.986 -16.815 8.793 63 H VAL 14 H VAL 14 4.590 -12.835 5.959 64 HA VAL 14 HA VAL 14 6.443 -10.568 5.654 65 HB VAL 14 HB VAL 14 4.280 -11.355 3.696 66 HG11 VAL 14 1HG1 VAL 14 4.286 -9.008 3.733 67 HG12 VAL 14 2HG1 VAL 14 6.042 -8.930 3.891 68 HG13 VAL 14 3HG1 VAL 14 5.314 -9.440 2.367 69 HG21 VAL 14 1HG2 VAL 14 7.279 -11.478 3.601 70 HG22 VAL 14 2HG2 VAL 14 6.113 -12.764 3.290 71 HG23 VAL 14 3HG2 VAL 14 6.300 -11.445 2.135 72 H SER 15 H SER 15 5.754 -8.708 6.516 73 HA SER 15 HA SER 15 2.893 -8.365 7.069 74 HB2 SER 15 1HB SER 15 5.135 -8.364 9.046 75 HB3 SER 15 2HB SER 15 3.786 -7.256 9.299 76 HG SER 15 HG SER 15 3.411 -9.252 10.323 77 H ALA 16 H ALA 16 2.283 -6.131 7.499 78 HA ALA 16 HA ALA 16 4.218 -4.141 6.540 79 HB1 ALA 16 1HB ALA 16 3.132 -3.860 4.627 80 HB2 ALA 16 2HB ALA 16 1.928 -5.060 5.100 81 HB3 ALA 16 3HB ALA 16 1.703 -3.366 5.535 82 H TYR 17 H TYR 17 4.088 -2.165 7.504 83 HA TYR 17 HA TYR 17 1.821 -1.614 9.274 84 HB2 TYR 17 1HB TYR 17 3.426 -0.855 11.048 85 HB3 TYR 17 2HB TYR 17 3.423 -2.592 10.768 86 HD1 TYR 17 1HD TYR 17 5.331 0.519 10.347 87 HD2 TYR 17 2HD TYR 17 5.354 -3.706 9.847 88 HE1 TYR 17 1HE TYR 17 7.763 0.580 9.990 89 HE2 TYR 17 2HE TYR 17 7.787 -3.657 9.490 90 HH TYR 17 HH TYR 17 9.467 -1.464 8.576 91 H GLY 18 H GLY 18 1.535 0.609 9.791 92 HA2 GLY 18 1HA GLY 18 2.898 2.826 9.417 93 HA3 GLY 18 2HA GLY 18 2.651 2.371 7.738 94 HA PRO 19 HA PRO 19 -0.998 4.822 9.560 95 HB2 PRO 19 1HB PRO 19 -0.523 7.196 8.332 96 HB3 PRO 19 2HB PRO 19 0.114 6.797 9.932 97 HG2 PRO 19 1HG PRO 19 1.476 6.684 7.269 98 HG3 PRO 19 2HG PRO 19 2.095 7.287 8.817 99 HD2 PRO 19 1HD PRO 19 2.727 4.838 7.850 100 HD3 PRO 19 2HD PRO 19 2.587 5.171 9.588 101 H GLY 20 H GLY 20 0.450 4.220 6.484 102 HA2 GLY 20 1HA GLY 20 -1.643 5.195 4.828 103 HA3 GLY 20 2HA GLY 20 -0.409 4.036 4.359 104 H LEU 21 H LEU 21 -0.996 2.041 6.286 105 HA LEU 21 HA LEU 21 -3.116 0.699 4.943 106 HB2 LEU 21 1HB LEU 21 -1.937 -0.125 7.578 107 HB3 LEU 21 2HB LEU 21 -2.638 -1.147 6.325 108 HG LEU 21 HG LEU 21 -0.172 0.405 5.693 109 HD11 LEU 21 1HD1 LEU 21 0.474 -2.221 6.663 110 HD12 LEU 21 2HD1 LEU 21 -0.290 -1.265 7.932 111 HD13 LEU 21 3HD1 LEU 21 1.152 -0.658 7.118 112 HD21 LEU 21 1HD2 LEU 21 0.275 -1.622 4.346 113 HD22 LEU 21 2HD2 LEU 21 -1.241 -0.828 3.918 114 HD23 LEU 21 3HD2 LEU 21 -1.258 -2.295 4.900 115 H GLU 22 H GLU 22 -2.779 2.116 8.181 116 HA GLU 22 HA GLU 22 -5.473 1.469 8.930 117 HB2 GLU 22 1HB GLU 22 -3.245 3.042 10.169 118 HB3 GLU 22 2HB GLU 22 -4.875 3.189 10.812 119 HG2 GLU 22 1HG GLU 22 -4.948 0.799 11.231 120 HG3 GLU 22 2HG GLU 22 -3.337 0.616 10.540 121 H GLY 23 H GLY 23 -3.856 4.161 7.431 122 HA2 GLY 23 1HA GLY 23 -5.277 5.591 6.030 123 HA3 GLY 23 2HA GLY 23 -6.444 5.584 7.344 124 H GLY 24 H GLY 24 -5.953 7.994 6.565 125 HA2 GLY 24 1HA GLY 24 -4.596 9.202 8.784 126 HA3 GLY 24 2HA GLY 24 -3.713 9.399 7.277 127 H THR 25 H THR 25 -4.024 11.357 6.476 128 HA THR 25 HA THR 25 -6.732 12.515 6.629 129 HB THR 25 HB THR 25 -4.057 13.910 6.751 130 HG1 THR 25 1HG THR 25 -6.177 14.293 8.557 131 HG21 THR 25 1HG2 THR 25 -5.519 15.193 5.292 132 HG22 THR 25 2HG2 THR 25 -5.344 16.014 6.843 133 HG23 THR 25 3HG2 THR 25 -6.815 15.111 6.484 134 H THR 26 H THR 26 -7.334 13.943 4.867 135 HA THR 26 HA THR 26 -6.679 12.829 2.327 136 HB THR 26 HB THR 26 -8.106 14.724 1.436 137 HG1 THR 26 1HG THR 26 -8.767 16.227 2.783 138 HG21 THR 26 1HG2 THR 26 -10.211 13.831 2.554 139 HG22 THR 26 2HG2 THR 26 -9.141 12.814 3.520 140 HG23 THR 26 3HG2 THR 26 -9.175 12.642 1.765 141 H GLY 27 H GLY 27 -5.644 13.806 0.562 142 HA2 GLY 27 1HA GLY 27 -4.020 15.049 -0.479 143 HA3 GLY 27 2HA GLY 27 -4.533 16.382 0.546 144 H VAL 28 H VAL 28 -3.387 13.431 1.972 145 HA VAL 28 HA VAL 28 -0.866 14.790 2.677 146 HB VAL 28 HB VAL 28 -2.473 12.889 4.391 147 HG11 VAL 28 1HG1 VAL 28 -0.816 13.083 6.048 148 HG12 VAL 28 2HG1 VAL 28 0.066 12.779 4.550 149 HG13 VAL 28 3HG1 VAL 28 -0.016 14.413 5.211 150 HG21 VAL 28 1HG2 VAL 28 -2.482 15.771 4.093 151 HG22 VAL 28 2HG2 VAL 28 -3.596 14.726 4.974 152 HG23 VAL 28 3HG2 VAL 28 -2.110 15.280 5.745 153 H SER 29 H SER 29 0.682 13.855 1.498 154 HA SER 29 HA SER 29 0.673 11.370 0.315 155 HB2 SER 29 1HB SER 29 3.132 12.774 1.385 156 HB3 SER 29 2HB SER 29 3.075 11.597 0.073 157 HG SER 29 HG SER 29 2.320 13.082 -1.251 158 H SER 30 H SER 30 0.098 9.595 1.441 159 HA SER 30 HA SER 30 1.352 9.059 4.024 160 HB2 SER 30 1HB SER 30 -0.802 7.480 2.600 161 HB3 SER 30 2HB SER 30 -0.302 7.303 4.282 162 HG SER 30 HG SER 30 -1.141 9.322 4.723 163 H GLU 31 H GLU 31 2.240 6.923 4.470 164 HA GLU 31 HA GLU 31 3.026 5.268 2.240 165 HB2 GLU 31 1HB GLU 31 4.747 6.934 2.051 166 HB3 GLU 31 2HB GLU 31 5.063 6.878 3.779 167 HG2 GLU 31 1HG GLU 31 5.388 4.383 2.199 168 HG3 GLU 31 2HG GLU 31 6.613 5.643 2.055 169 H PHE 32 H PHE 32 4.009 3.277 2.896 170 HA PHE 32 HA PHE 32 4.105 2.719 5.754 171 HB2 PHE 32 1HB PHE 32 2.690 0.666 5.432 172 HB3 PHE 32 2HB PHE 32 1.815 2.186 5.285 173 HD1 PHE 32 1HD PHE 32 3.208 -0.668 3.433 174 HD2 PHE 32 2HD PHE 32 0.801 2.837 3.233 175 HE1 PHE 32 1HE PHE 32 2.384 -1.364 1.221 176 HE2 PHE 32 2HE PHE 32 -0.027 2.146 1.021 177 HZ PHE 32 HZ PHE 32 0.764 0.043 0.013 178 H ILE 33 H ILE 33 5.323 0.881 6.298 179 HA ILE 33 HA ILE 33 7.146 0.024 4.175 180 HB ILE 33 HB ILE 33 7.338 -0.163 7.179 181 HG12 ILE 33 1HG1 ILE 33 9.006 1.318 5.134 182 HG13 ILE 33 2HG1 ILE 33 7.786 2.048 6.172 183 HG21 ILE 33 1HG2 ILE 33 9.014 -1.413 5.036 184 HG22 ILE 33 2HG2 ILE 33 9.717 -0.974 6.592 185 HG23 ILE 33 3HG2 ILE 33 8.386 -2.129 6.521 186 HD11 ILE 33 1HD1 ILE 33 10.450 0.913 6.925 187 HD12 ILE 33 2HD1 ILE 33 9.811 2.532 7.209 188 HD13 ILE 33 3HD1 ILE 33 9.176 1.161 8.119 189 H VAL 34 H VAL 34 7.553 -2.127 3.705 190 HA VAL 34 HA VAL 34 5.689 -4.083 4.884 191 HB VAL 34 HB VAL 34 6.541 -3.897 1.992 192 HG11 VAL 34 1HG1 VAL 34 4.435 -5.776 2.508 193 HG12 VAL 34 2HG1 VAL 34 5.997 -6.035 1.728 194 HG13 VAL 34 3HG1 VAL 34 5.851 -6.173 3.480 195 HG21 VAL 34 1HG2 VAL 34 3.693 -3.926 2.708 196 HG22 VAL 34 2HG2 VAL 34 4.575 -2.488 3.223 197 HG23 VAL 34 3HG2 VAL 34 4.556 -2.949 1.521 198 H ASN 35 H ASN 35 7.057 -5.144 6.230 199 HA ASN 35 HA ASN 35 9.752 -5.775 5.579 200 HB2 ASN 35 1HB ASN 35 8.947 -5.541 7.905 201 HB3 ASN 35 2HB ASN 35 7.968 -6.991 7.700 202 HD21 ASN 35 1HD2 ASN 35 11.159 -5.719 8.112 203 HD22 ASN 35 2HD2 ASN 35 11.945 -7.227 8.418 204 H THR 36 H THR 36 10.324 -7.183 4.068 205 HA THR 36 HA THR 36 8.765 -9.672 3.805 206 HB THR 36 HB THR 36 9.516 -9.710 1.407 207 HG1 THR 36 1HG THR 36 10.303 -7.049 2.058 208 HG21 THR 36 1HG2 THR 36 7.266 -8.842 2.280 209 HG22 THR 36 2HG2 THR 36 7.738 -8.379 0.645 210 HG23 THR 36 3HG2 THR 36 7.913 -7.232 1.972 211 H LEU 37 H LEU 37 11.671 -8.373 4.719 212 HA LEU 37 HA LEU 37 13.688 -9.880 3.676 213 HB2 LEU 37 1HB LEU 37 13.348 -9.264 6.606 214 HB3 LEU 37 2HB LEU 37 14.862 -9.621 5.778 215 HG LEU 37 HG LEU 37 13.231 -7.251 4.959 216 HD11 LEU 37 1HD1 LEU 37 13.927 -7.531 7.563 217 HD12 LEU 37 2HD1 LEU 37 13.791 -5.986 6.725 218 HD13 LEU 37 3HD1 LEU 37 15.368 -6.754 6.907 219 HD21 LEU 37 1HD2 LEU 37 15.541 -6.389 4.485 220 HD22 LEU 37 2HD2 LEU 37 15.044 -7.776 3.515 221 HD23 LEU 37 3HD2 LEU 37 16.146 -7.999 4.875 222 H ASN 38 H ASN 38 11.780 -10.809 6.546 223 HA ASN 38 HA ASN 38 12.811 -13.284 7.044 224 HB2 ASN 38 1HB ASN 38 9.862 -12.611 7.130 225 HB3 ASN 38 2HB ASN 38 10.675 -13.878 8.043 226 HD21 ASN 38 1HD2 ASN 38 12.809 -12.777 9.104 227 HD22 ASN 38 2HD2 ASN 38 12.410 -11.430 10.111 228 H ALA 39 H ALA 39 10.438 -12.428 4.573 229 HA ALA 39 HA ALA 39 9.868 -15.059 3.719 230 HB1 ALA 39 1HB ALA 39 9.576 -13.321 1.519 231 HB2 ALA 39 2HB ALA 39 8.323 -13.928 2.601 232 HB3 ALA 39 3HB ALA 39 9.137 -12.405 2.961 233 H GLY 40 H GLY 40 11.965 -12.573 2.237 234 HA2 GLY 40 1HA GLY 40 14.227 -13.234 1.570 235 HA3 GLY 40 2HA GLY 40 13.552 -14.781 1.081 236 H SER 41 H SER 41 12.391 -14.935 -0.856 237 HA SER 41 HA SER 41 12.632 -12.591 -2.627 238 HB2 SER 41 1HB SER 41 13.429 -15.431 -3.050 239 HB3 SER 41 2HB SER 41 12.754 -14.560 -4.427 240 HG SER 41 HG SER 41 14.785 -13.384 -2.878 241 H GLY 42 H GLY 42 10.991 -12.265 -4.150 242 HA2 GLY 42 1HA GLY 42 8.923 -13.849 -4.911 243 HA3 GLY 42 2HA GLY 42 8.412 -13.268 -3.333 244 H ALA 43 H ALA 43 7.024 -12.733 -5.715 245 HA ALA 43 HA ALA 43 7.674 -9.993 -6.453 246 HB1 ALA 43 1HB ALA 43 6.818 -10.636 -8.394 247 HB2 ALA 43 2HB ALA 43 6.293 -12.168 -7.693 248 HB3 ALA 43 3HB ALA 43 5.234 -10.760 -7.628 249 H LEU 44 H LEU 44 7.014 -8.422 -5.143 250 HA LEU 44 HA LEU 44 4.674 -8.770 -3.462 251 HB2 LEU 44 1HB LEU 44 6.596 -7.777 -2.441 252 HB3 LEU 44 2HB LEU 44 6.707 -6.562 -3.713 253 HG LEU 44 HG LEU 44 4.456 -5.712 -2.883 254 HD11 LEU 44 1HD1 LEU 44 4.292 -6.269 -0.325 255 HD12 LEU 44 2HD1 LEU 44 5.087 -7.763 -0.819 256 HD13 LEU 44 3HD1 LEU 44 3.537 -7.313 -1.529 257 HD21 LEU 44 1HD2 LEU 44 5.545 -4.564 -0.906 258 HD22 LEU 44 2HD2 LEU 44 6.375 -4.407 -2.455 259 HD23 LEU 44 3HD2 LEU 44 6.973 -5.543 -1.245 260 H SER 45 H SER 45 2.724 -7.894 -3.799 261 HA SER 45 HA SER 45 2.437 -6.014 -6.052 262 HB2 SER 45 1HB SER 45 1.459 -8.422 -6.237 263 HB3 SER 45 2HB SER 45 0.210 -7.817 -5.149 264 HG SER 45 HG SER 45 0.829 -6.244 -7.357 265 H VAL 46 H VAL 46 1.716 -4.067 -5.526 266 HA VAL 46 HA VAL 46 0.025 -3.780 -3.132 267 HB VAL 46 HB VAL 46 2.246 -1.915 -3.980 268 HG11 VAL 46 1HG1 VAL 46 0.723 -0.452 -3.085 269 HG12 VAL 46 2HG1 VAL 46 0.029 -1.663 -2.005 270 HG13 VAL 46 3HG1 VAL 46 1.594 -0.940 -1.632 271 HG21 VAL 46 1HG2 VAL 46 2.987 -4.007 -2.878 272 HG22 VAL 46 2HG2 VAL 46 3.346 -2.562 -1.933 273 HG23 VAL 46 3HG2 VAL 46 1.986 -3.593 -1.486 274 H THR 47 H THR 47 -1.707 -2.448 -3.314 275 HA THR 47 HA THR 47 -1.937 -0.563 -5.492 276 HB THR 47 HB THR 47 -2.713 -2.320 -6.805 277 HG1 THR 47 1HG THR 47 -4.296 -0.723 -6.820 278 HG21 THR 47 1HG2 THR 47 -2.743 -3.957 -4.889 279 HG22 THR 47 2HG2 THR 47 -4.037 -4.163 -6.070 280 HG23 THR 47 3HG2 THR 47 -4.370 -3.386 -4.522 281 H ILE 48 H ILE 48 -4.120 0.547 -5.426 282 HA ILE 48 HA ILE 48 -5.276 0.536 -2.726 283 HB ILE 48 HB ILE 48 -4.518 3.042 -4.231 284 HG12 ILE 48 1HG1 ILE 48 -3.365 2.038 -1.628 285 HG13 ILE 48 2HG1 ILE 48 -2.627 1.693 -3.189 286 HG21 ILE 48 1HG2 ILE 48 -5.112 4.073 -1.966 287 HG22 ILE 48 2HG2 ILE 48 -6.441 3.553 -3.002 288 HG23 ILE 48 3HG2 ILE 48 -5.943 2.553 -1.637 289 HD11 ILE 48 1HD1 ILE 48 -3.210 4.510 -2.396 290 HD12 ILE 48 2HD1 ILE 48 -1.775 3.684 -1.787 291 HD13 ILE 48 3HD1 ILE 48 -2.005 3.888 -3.524 292 H ASP 49 H ASP 49 -7.444 0.749 -2.656 293 HA ASP 49 HA ASP 49 -8.834 1.466 -5.152 294 HB2 ASP 49 1HB ASP 49 -8.795 -1.051 -4.351 295 HB3 ASP 49 2HB ASP 49 -10.061 -0.495 -3.259 296 H GLY 50 H GLY 50 -9.776 3.371 -4.804 297 HA2 GLY 50 1HA GLY 50 -11.466 3.657 -2.422 298 HA3 GLY 50 2HA GLY 50 -10.252 4.888 -2.734 299 HA PRO 51 HA PRO 51 -14.255 6.082 -4.810 300 HB2 PRO 51 1HB PRO 51 -14.383 8.563 -3.715 301 HB3 PRO 51 2HB PRO 51 -15.060 7.131 -2.931 302 HG2 PRO 51 1HG PRO 51 -12.453 8.513 -2.426 303 HG3 PRO 51 2HG PRO 51 -13.621 7.867 -1.259 304 HD2 PRO 51 1HD PRO 51 -11.362 6.542 -1.944 305 HD3 PRO 51 2HD PRO 51 -12.865 5.704 -1.509 306 H SER 52 H SER 52 -11.061 7.357 -4.521 307 HA SER 52 HA SER 52 -11.329 8.593 -7.162 308 HB2 SER 52 1HB SER 52 -10.145 9.950 -4.731 309 HB3 SER 52 2HB SER 52 -9.943 10.534 -6.382 310 HG SER 52 HG SER 52 -12.522 10.028 -5.395 311 H LYS 53 H LYS 53 -9.604 8.291 -8.471 312 HA LYS 53 HA LYS 53 -7.759 6.284 -7.966 313 HB2 LYS 53 1HB LYS 53 -8.437 7.347 -10.202 314 HB3 LYS 53 2HB LYS 53 -7.213 8.562 -9.860 315 HG2 LYS 53 1HG LYS 53 -5.597 6.603 -9.591 316 HG3 LYS 53 2HG LYS 53 -6.850 5.630 -10.367 317 HD2 LYS 53 1HD LYS 53 -6.834 7.393 -12.213 318 HD3 LYS 53 2HD LYS 53 -5.332 7.971 -11.490 319 HE2 LYS 53 1HE LYS 53 -5.624 5.069 -12.116 320 HE3 LYS 53 2HE LYS 53 -5.304 6.200 -13.429 321 HZ1 LYS 53 1HZ LYS 53 -3.496 6.951 -11.592 322 HZ2 LYS 53 2HZ LYS 53 -3.179 5.878 -12.860 323 HZ3 LYS 53 3HZ LYS 53 -3.557 5.282 -11.323 324 H VAL 54 H VAL 54 -5.970 6.177 -6.785 325 HA VAL 54 HA VAL 54 -4.760 8.689 -5.847 326 HB VAL 54 HB VAL 54 -3.735 7.294 -4.054 327 HG11 VAL 54 1HG1 VAL 54 -5.798 8.555 -3.669 328 HG12 VAL 54 2HG1 VAL 54 -6.746 7.166 -4.204 329 HG13 VAL 54 3HG1 VAL 54 -5.772 7.058 -2.738 330 HG21 VAL 54 1HG2 VAL 54 -5.516 5.146 -5.202 331 HG22 VAL 54 2HG2 VAL 54 -3.752 5.141 -5.167 332 HG23 VAL 54 3HG2 VAL 54 -4.664 5.043 -3.660 333 H GLN 55 H GLN 55 -2.579 9.059 -6.042 334 HA GLN 55 HA GLN 55 -1.203 7.406 -8.012 335 HB2 GLN 55 1HB GLN 55 -1.382 9.980 -8.094 336 HB3 GLN 55 2HB GLN 55 -0.148 9.966 -6.841 337 HG2 GLN 55 1HG GLN 55 1.352 8.741 -8.325 338 HG3 GLN 55 2HG GLN 55 0.114 8.748 -9.581 339 HE21 GLN 55 1HE2 GLN 55 -0.705 10.976 -10.148 340 HE22 GLN 55 2HE2 GLN 55 0.480 12.224 -10.290 341 H LEU 56 H LEU 56 -0.144 5.722 -7.179 342 HA LEU 56 HA LEU 56 1.266 6.044 -4.626 343 HB2 LEU 56 1HB LEU 56 1.298 3.666 -4.469 344 HB3 LEU 56 2HB LEU 56 -0.338 4.169 -4.888 345 HG LEU 56 HG LEU 56 0.526 3.650 -7.341 346 HD11 LEU 56 1HD1 LEU 56 2.807 3.059 -6.227 347 HD12 LEU 56 2HD1 LEU 56 2.177 2.059 -7.535 348 HD13 LEU 56 3HD1 LEU 56 2.013 1.527 -5.862 349 HD21 LEU 56 1HD2 LEU 56 -0.048 1.100 -6.207 350 HD22 LEU 56 2HD2 LEU 56 -1.105 2.161 -7.140 351 HD23 LEU 56 3HD2 LEU 56 -1.023 2.319 -5.385 352 H ASP 57 H ASP 57 3.446 5.579 -4.407 353 HA ASP 57 HA ASP 57 4.946 5.160 -6.906 354 HB2 ASP 57 1HB ASP 57 4.917 7.561 -5.792 355 HB3 ASP 57 2HB ASP 57 6.126 6.838 -4.734 356 H CYS 58 H CYS 58 6.016 3.310 -6.800 357 HA CYS 58 HA CYS 58 6.514 1.981 -4.312 358 HB2 CYS 58 1HB CYS 58 7.494 0.213 -5.681 359 HB3 CYS 58 2HB CYS 58 5.960 0.736 -6.366 360 HG CYS 58 HG CYS 58 8.932 0.636 -7.765 361 H ARG 59 H ARG 59 8.376 1.790 -3.181 362 HA ARG 59 HA ARG 59 10.824 2.954 -4.302 363 HB2 ARG 59 1HB ARG 59 9.469 3.719 -1.732 364 HB3 ARG 59 2HB ARG 59 11.209 3.896 -1.918 365 HG2 ARG 59 1HG ARG 59 9.117 5.179 -3.664 366 HG3 ARG 59 2HG ARG 59 10.035 5.979 -2.386 367 HD2 ARG 59 1HD ARG 59 12.090 5.065 -3.754 368 HD3 ARG 59 2HD ARG 59 10.921 5.051 -5.074 369 HE ARG 59 HE ARG 59 10.923 7.538 -3.684 370 HH11 ARG 59 1HH1 ARG 59 12.634 5.666 -6.068 371 HH12 ARG 59 2HH1 ARG 59 13.291 7.052 -6.875 372 HH21 ARG 59 1HH2 ARG 59 11.782 9.371 -4.736 373 HH22 ARG 59 2HH2 ARG 59 12.807 9.158 -6.115 374 H GLU 60 H GLU 60 12.686 2.546 -2.607 375 HA GLU 60 HA GLU 60 12.456 -0.271 -1.775 376 HB2 GLU 60 1HB GLU 60 14.776 1.292 -2.883 377 HB3 GLU 60 2HB GLU 60 15.014 -0.213 -2.008 378 HG2 GLU 60 1HG GLU 60 13.533 -1.340 -3.642 379 HG3 GLU 60 2HG GLU 60 13.457 0.167 -4.553 380 H CYS 61 H CYS 61 12.628 -0.689 0.322 381 HA CYS 61 HA CYS 61 13.900 1.330 2.051 382 HB2 CYS 61 1HB CYS 61 12.347 0.367 3.848 383 HB3 CYS 61 2HB CYS 61 11.613 1.382 2.612 384 HG CYS 61 HG CYS 61 10.659 -1.527 3.540 385 HA PRO 62 HA PRO 62 16.694 -1.737 3.481 386 HB2 PRO 62 1HB PRO 62 17.099 -0.913 6.036 387 HB3 PRO 62 2HB PRO 62 17.753 -0.056 4.635 388 HG2 PRO 62 1HG PRO 62 15.310 0.550 6.255 389 HG3 PRO 62 2HG PRO 62 16.544 1.661 5.632 390 HD2 PRO 62 1HD PRO 62 14.142 1.327 4.427 391 HD3 PRO 62 2HD PRO 62 15.621 1.700 3.520 392 H GLU 63 H GLU 63 13.542 -1.574 4.537 393 HA GLU 63 HA GLU 63 13.865 -3.875 6.345 394 HB2 GLU 63 1HB GLU 63 11.754 -1.742 6.152 395 HB3 GLU 63 2HB GLU 63 11.439 -3.263 6.974 396 HG2 GLU 63 1HG GLU 63 13.862 -1.708 7.718 397 HG3 GLU 63 2HG GLU 63 12.285 -1.161 8.285 398 H GLY 64 H GLY 64 12.753 -2.903 3.282 399 HA2 GLY 64 1HA GLY 64 12.311 -5.302 2.155 400 HA3 GLY 64 2HA GLY 64 10.796 -5.027 3.002 401 H HIS 65 H HIS 65 9.286 -3.726 2.109 402 HA HIS 65 HA HIS 65 10.052 -2.166 -0.264 403 HB2 HIS 65 1HB HIS 65 7.694 -4.034 0.012 404 HB3 HIS 65 2HB HIS 65 7.845 -2.844 -1.277 405 HD1 HIS 65 1HD HIS 65 10.096 -3.170 -2.802 406 HD2 HIS 65 2HD HIS 65 8.826 -6.430 -0.561 407 HE1 HIS 65 1HE HIS 65 11.220 -5.171 -3.830 408 HE2 HIS 65 2HE HIS 65 10.370 -7.141 -2.510 409 H VAL 66 H VAL 66 9.152 -0.178 -0.429 410 HA VAL 66 HA VAL 66 7.044 0.538 1.497 411 HB VAL 66 HB VAL 66 9.298 1.363 2.226 412 HG11 VAL 66 1HG1 VAL 66 9.275 3.551 0.277 413 HG12 VAL 66 2HG1 VAL 66 10.628 2.626 0.932 414 HG13 VAL 66 3HG1 VAL 66 9.674 1.973 -0.401 415 HG21 VAL 66 1HG2 VAL 66 8.312 3.128 3.206 416 HG22 VAL 66 2HG2 VAL 66 7.844 3.849 1.666 417 HG23 VAL 66 3HG2 VAL 66 6.864 2.565 2.372 418 H VAL 67 H VAL 67 5.495 1.962 0.790 419 HA VAL 67 HA VAL 67 5.764 3.063 -1.915 420 HB VAL 67 HB VAL 67 3.377 1.481 -0.950 421 HG11 VAL 67 1HG1 VAL 67 3.697 3.476 -3.066 422 HG12 VAL 67 2HG1 VAL 67 2.987 1.955 -3.610 423 HG13 VAL 67 3HG1 VAL 67 2.234 2.861 -2.297 424 HG21 VAL 67 1HG2 VAL 67 4.722 -0.192 -1.673 425 HG22 VAL 67 2HG2 VAL 67 4.101 0.307 -3.246 426 HG23 VAL 67 3HG2 VAL 67 5.680 0.873 -2.701 427 H THR 68 H THR 68 4.842 5.035 -2.201 428 HA THR 68 HA THR 68 3.390 6.169 0.101 429 HB THR 68 HB THR 68 5.184 7.651 -1.831 430 HG1 THR 68 1HG THR 68 6.684 7.615 -0.228 431 HG21 THR 68 1HG2 THR 68 4.090 8.697 0.762 432 HG22 THR 68 2HG2 THR 68 3.181 8.848 -0.741 433 HG23 THR 68 3HG2 THR 68 4.772 9.593 -0.594 434 H TYR 69 H TYR 69 1.449 7.061 -0.263 435 HA TYR 69 HA TYR 69 0.677 7.705 -3.021 436 HB2 TYR 69 1HB TYR 69 -1.409 6.555 -2.839 437 HB3 TYR 69 2HB TYR 69 -0.155 5.417 -2.360 438 HD1 TYR 69 1HD TYR 69 -2.724 7.735 -1.008 439 HD2 TYR 69 2HD TYR 69 -0.227 4.372 -0.258 440 HE1 TYR 69 1HE TYR 69 -3.905 7.338 1.112 441 HE2 TYR 69 2HE TYR 69 -1.402 3.965 1.864 442 HH TYR 69 HH TYR 69 -3.113 4.555 3.164 443 H THR 70 H THR 70 -1.379 8.988 -3.088 444 HA THR 70 HA THR 70 -1.774 10.605 -0.667 445 HB THR 70 HB THR 70 -1.409 11.738 -3.448 446 HG1 THR 70 1HG THR 70 0.375 12.825 -2.157 447 HG21 THR 70 1HG2 THR 70 -2.414 13.596 -2.741 448 HG22 THR 70 2HG2 THR 70 -1.356 13.673 -1.332 449 HG23 THR 70 3HG2 THR 70 -2.859 12.754 -1.258 450 HA PRO 71 HA PRO 71 -5.980 9.583 -1.760 451 HB2 PRO 71 1HB PRO 71 -7.115 10.813 0.378 452 HB3 PRO 71 2HB PRO 71 -6.320 9.238 0.486 453 HG2 PRO 71 1HG PRO 71 -5.262 11.947 1.196 454 HG3 PRO 71 2HG PRO 71 -5.102 10.417 2.079 455 HD2 PRO 71 1HD PRO 71 -3.120 11.419 0.531 456 HD3 PRO 71 2HD PRO 71 -3.383 9.675 0.734 457 H MET 72 H MET 72 -7.439 10.623 -2.988 458 HA MET 72 HA MET 72 -7.124 13.508 -3.342 459 HB2 MET 72 1HB MET 72 -8.387 11.334 -4.986 460 HB3 MET 72 2HB MET 72 -8.747 13.026 -5.301 461 HG2 MET 72 1HG MET 72 -6.387 13.471 -5.686 462 HG3 MET 72 2HG MET 72 -6.006 11.786 -5.338 463 HE1 MET 72 1HE MET 72 -9.216 12.727 -8.113 464 HE2 MET 72 2HE MET 72 -8.421 13.931 -7.098 465 HE3 MET 72 3HE MET 72 -7.972 13.775 -8.797 466 H ALA 73 H ALA 73 -9.420 11.119 -2.246 467 HA ALA 73 HA ALA 73 -11.134 13.275 -1.260 468 HB1 ALA 73 1HB ALA 73 -12.566 12.880 -2.944 469 HB2 ALA 73 2HB ALA 73 -11.875 11.297 -3.299 470 HB3 ALA 73 3HB ALA 73 -13.030 11.479 -1.979 471 HA PRO 74 HA PRO 74 -11.279 10.867 2.411 472 HB2 PRO 74 1HB PRO 74 -13.686 11.623 3.413 473 HB3 PRO 74 2HB PRO 74 -12.272 12.683 3.409 474 HG2 PRO 74 1HG PRO 74 -14.594 12.617 1.522 475 HG3 PRO 74 2HG PRO 74 -13.780 14.016 2.246 476 HD2 PRO 74 1HD PRO 74 -13.295 13.199 -0.290 477 HD3 PRO 74 2HD PRO 74 -12.050 13.954 0.724 478 H GLY 75 H GLY 75 -11.695 8.774 2.737 479 HA2 GLY 75 1HA GLY 75 -14.179 7.545 2.710 480 HA3 GLY 75 2HA GLY 75 -13.514 7.329 1.097 481 H ASN 76 H ASN 76 -13.555 5.044 1.541 482 HA ASN 76 HA ASN 76 -11.442 4.152 3.384 483 HB2 ASN 76 1HB ASN 76 -13.642 2.459 2.189 484 HB3 ASN 76 2HB ASN 76 -12.558 2.029 3.508 485 HD21 ASN 76 1HD2 ASN 76 -15.324 1.867 3.691 486 HD22 ASN 76 2HD2 ASN 76 -15.873 3.024 4.851 487 H TYR 77 H TYR 77 -9.586 3.998 2.281 488 HA TYR 77 HA TYR 77 -9.597 2.999 -0.460 489 HB2 TYR 77 1HB TYR 77 -7.430 4.219 1.254 490 HB3 TYR 77 2HB TYR 77 -7.143 3.588 -0.363 491 HD1 TYR 77 1HD TYR 77 -8.819 6.228 1.578 492 HD2 TYR 77 2HD TYR 77 -7.852 4.799 -2.311 493 HE1 TYR 77 1HE TYR 77 -9.485 8.395 0.623 494 HE2 TYR 77 2HE TYR 77 -8.514 6.962 -3.276 495 HH TYR 77 HH TYR 77 -8.883 9.199 -2.703 496 H LEU 78 H LEU 78 -9.530 0.872 -0.721 497 HA LEU 78 HA LEU 78 -8.440 -0.872 1.300 498 HB2 LEU 78 1HB LEU 78 -10.480 -1.283 -0.214 499 HB3 LEU 78 2HB LEU 78 -9.297 -1.719 -1.446 500 HG LEU 78 HG LEU 78 -10.299 -3.655 -0.240 501 HD11 LEU 78 1HD1 LEU 78 -7.859 -3.411 -1.233 502 HD12 LEU 78 2HD1 LEU 78 -8.381 -4.872 -0.394 503 HD13 LEU 78 3HD1 LEU 78 -7.412 -3.666 0.454 504 HD21 LEU 78 1HD2 LEU 78 -10.318 -2.394 1.981 505 HD22 LEU 78 2HD2 LEU 78 -8.613 -2.830 2.105 506 HD23 LEU 78 3HD2 LEU 78 -9.842 -4.092 2.016 507 H ILE 79 H ILE 79 -6.357 -1.339 1.450 508 HA ILE 79 HA ILE 79 -4.654 -1.069 -0.921 509 HB ILE 79 HB ILE 79 -3.913 -1.278 1.999 510 HG12 ILE 79 1HG1 ILE 79 -3.419 1.078 0.205 511 HG13 ILE 79 2HG1 ILE 79 -4.981 0.872 0.988 512 HG21 ILE 79 1HG2 ILE 79 -2.372 -1.985 -0.197 513 HG22 ILE 79 2HG2 ILE 79 -1.834 -0.358 0.212 514 HG23 ILE 79 3HG2 ILE 79 -1.791 -1.632 1.430 515 HD11 ILE 79 1HD1 ILE 79 -2.463 0.791 2.590 516 HD12 ILE 79 2HD1 ILE 79 -3.190 2.328 2.121 517 HD13 ILE 79 3HD1 ILE 79 -4.104 1.183 3.102 518 H ALA 80 H ALA 80 -4.316 -2.870 -2.034 519 HA ALA 80 HA ALA 80 -4.534 -5.470 -0.759 520 HB1 ALA 80 1HB ALA 80 -5.366 -4.700 -3.145 521 HB2 ALA 80 2HB ALA 80 -3.736 -5.191 -3.608 522 HB3 ALA 80 3HB ALA 80 -4.822 -6.351 -2.844 523 H ILE 81 H ILE 81 -2.882 -6.775 -0.232 524 HA ILE 81 HA ILE 81 -0.193 -6.120 -1.213 525 HB ILE 81 HB ILE 81 -0.908 -6.651 1.672 526 HG12 ILE 81 1HG1 ILE 81 0.393 -4.240 0.390 527 HG13 ILE 81 2HG1 ILE 81 -1.309 -4.336 0.826 528 HG21 ILE 81 1HG2 ILE 81 1.197 -7.763 0.867 529 HG22 ILE 81 2HG2 ILE 81 1.833 -6.153 0.535 530 HG23 ILE 81 3HG2 ILE 81 1.412 -6.612 2.185 531 HD11 ILE 81 1HD1 ILE 81 -0.897 -3.949 2.987 532 HD12 ILE 81 2HD1 ILE 81 0.537 -4.976 3.003 533 HD13 ILE 81 3HD1 ILE 81 0.644 -3.322 2.402 534 H LYS 82 H LYS 82 0.498 -7.850 -2.272 535 HA LYS 82 HA LYS 82 -0.051 -10.509 -1.126 536 HB2 LYS 82 1HB LYS 82 0.229 -9.884 -4.069 537 HB3 LYS 82 2HB LYS 82 -0.213 -11.428 -3.351 538 HG2 LYS 82 1HG LYS 82 -2.178 -9.965 -2.337 539 HG3 LYS 82 2HG LYS 82 -1.841 -8.988 -3.768 540 HD2 LYS 82 1HD LYS 82 -1.892 -11.352 -4.953 541 HD3 LYS 82 2HD LYS 82 -2.895 -11.764 -3.560 542 HE2 LYS 82 1HE LYS 82 -3.484 -9.263 -5.069 543 HE3 LYS 82 2HE LYS 82 -3.955 -10.808 -5.774 544 HZ1 LYS 82 1HZ LYS 82 -4.664 -10.429 -2.986 545 HZ2 LYS 82 2HZ LYS 82 -5.557 -11.115 -4.248 546 HZ3 LYS 82 3HZ LYS 82 -5.480 -9.433 -4.084 547 H TYR 83 H TYR 83 1.529 -12.182 -2.136 548 HA TYR 83 HA TYR 83 4.097 -11.320 -2.960 549 HB2 TYR 83 1HB TYR 83 4.028 -10.630 -0.499 550 HB3 TYR 83 2HB TYR 83 4.041 -12.350 -0.126 551 HD1 TYR 83 2HD TYR 83 5.977 -9.612 -1.680 552 HD2 TYR 83 1HD TYR 83 6.047 -13.617 -0.247 553 HE1 TYR 83 2HE TYR 83 8.431 -9.622 -1.847 554 HE2 TYR 83 1HE TYR 83 8.501 -13.638 -0.409 555 HH TYR 83 HH TYR 83 10.315 -10.738 -1.196 556 H GLY 84 H GLY 84 4.297 -12.936 -4.391 557 HA2 GLY 84 1HA GLY 84 4.473 -15.059 -5.251 558 HA3 GLY 84 2HA GLY 84 5.111 -15.482 -3.669 559 H GLY 85 H GLY 85 1.857 -14.452 -4.682 560 HA2 GLY 85 1HA GLY 85 0.695 -17.025 -4.506 561 HA3 GLY 85 2HA GLY 85 0.485 -16.180 -2.979 562 HA PRO 86 HA PRO 86 -2.575 -14.825 -6.446 563 HB2 PRO 86 1HB PRO 86 -4.583 -16.622 -6.114 564 HB3 PRO 86 2HB PRO 86 -3.264 -16.858 -7.265 565 HG2 PRO 86 1HG PRO 86 -3.608 -17.997 -4.518 566 HG3 PRO 86 2HG PRO 86 -3.049 -18.797 -5.999 567 HD2 PRO 86 1HD PRO 86 -1.347 -17.936 -4.077 568 HD3 PRO 86 2HD PRO 86 -0.913 -17.954 -5.799 569 H GLN 87 H GLN 87 -2.509 -15.525 -3.132 570 HA GLN 87 HA GLN 87 -4.918 -13.895 -2.667 571 HB2 GLN 87 1HB GLN 87 -3.664 -16.048 -0.963 572 HB3 GLN 87 2HB GLN 87 -4.927 -14.970 -0.384 573 HG2 GLN 87 1HG GLN 87 -6.196 -15.830 -2.510 574 HG3 GLN 87 2HG GLN 87 -5.080 -17.186 -2.360 575 HE21 GLN 87 1HE2 GLN 87 -5.177 -18.497 -0.516 576 HE22 GLN 87 2HE2 GLN 87 -6.578 -18.535 0.494 577 H HIS 88 H HIS 88 -4.804 -12.725 -0.481 578 HA HIS 88 HA HIS 88 -2.507 -11.015 -0.547 579 HB2 HIS 88 1HB HIS 88 -4.761 -11.085 1.468 580 HB3 HIS 88 2HB HIS 88 -3.626 -9.762 1.214 581 HD1 HIS 88 1HD HIS 88 -4.709 -7.915 0.002 582 HD2 HIS 88 2HD HIS 88 -6.121 -11.611 -1.265 583 HE1 HIS 88 1HE HIS 88 -6.393 -7.411 -1.797 584 HE2 HIS 88 2HE HIS 88 -7.295 -9.658 -2.488 585 H ILE 89 H ILE 89 -1.603 -10.364 1.746 586 HA ILE 89 HA ILE 89 -0.502 -12.831 2.873 587 HB ILE 89 HB ILE 89 1.192 -11.364 3.918 588 HG12 ILE 89 1HG1 ILE 89 0.261 -9.082 2.229 589 HG13 ILE 89 2HG1 ILE 89 -0.536 -9.362 3.773 590 HG21 ILE 89 1HG2 ILE 89 0.783 -11.753 1.065 591 HG22 ILE 89 2HG2 ILE 89 1.843 -10.391 1.427 592 HG23 ILE 89 3HG2 ILE 89 2.228 -11.997 2.045 593 HD11 ILE 89 1HD1 ILE 89 2.252 -8.510 3.203 594 HD12 ILE 89 2HD1 ILE 89 1.096 -7.891 4.384 595 HD13 ILE 89 3HD1 ILE 89 1.919 -9.423 4.674 596 H VAL 90 H VAL 90 0.047 -12.668 5.287 597 HA VAL 90 HA VAL 90 -2.282 -12.659 6.784 598 HB VAL 90 HB VAL 90 -0.308 -13.797 7.582 599 HG11 VAL 90 1HG1 VAL 90 1.727 -12.887 7.720 600 HG12 VAL 90 2HG1 VAL 90 1.051 -11.522 6.830 601 HG13 VAL 90 3HG1 VAL 90 1.129 -11.476 8.591 602 HG21 VAL 90 1HG2 VAL 90 -1.831 -11.944 9.188 603 HG22 VAL 90 2HG2 VAL 90 -1.300 -13.583 9.564 604 HG23 VAL 90 3HG2 VAL 90 -0.230 -12.216 9.875 605 H GLY 91 H GLY 91 -3.564 -10.872 6.717 606 HA2 GLY 91 1HA GLY 91 -3.833 -8.912 8.311 607 HA3 GLY 91 2HA GLY 91 -2.355 -8.317 7.568 608 H SER 92 H SER 92 -3.018 -9.147 4.893 609 HA SER 92 HA SER 92 -4.807 -6.951 4.229 610 HB2 SER 92 1HB SER 92 -4.062 -7.921 1.821 611 HB3 SER 92 2HB SER 92 -3.087 -6.777 2.743 612 HG SER 92 HG SER 92 -1.686 -8.366 2.340 613 HA PRO 93 HA PRO 93 -5.533 -6.595 1.852 614 HB2 PRO 93 1HB PRO 93 -8.034 -5.631 1.421 615 HB3 PRO 93 2HB PRO 93 -7.256 -6.798 0.345 616 HG2 PRO 93 1HG PRO 93 -9.269 -7.268 2.511 617 HG3 PRO 93 2HG PRO 93 -9.189 -7.972 0.885 618 HD2 PRO 93 1HD PRO 93 -8.351 -9.300 3.091 619 HD3 PRO 93 2HD PRO 93 -7.599 -9.523 1.498 620 H PHE 94 H PHE 94 -5.217 -4.622 2.752 621 HA PHE 94 HA PHE 94 -6.288 -4.198 5.432 622 HB2 PHE 94 1HB PHE 94 -4.098 -2.789 3.895 623 HB3 PHE 94 2HB PHE 94 -4.599 -2.353 5.526 624 HD1 PHE 94 2HD PHE 94 -4.157 -3.857 7.405 625 HD2 PHE 94 1HD PHE 94 -2.766 -4.726 3.477 626 HE1 PHE 94 2HE PHE 94 -2.597 -5.521 8.329 627 HE2 PHE 94 1HE PHE 94 -1.204 -6.391 4.394 628 HZ PHE 94 HZ PHE 94 -1.117 -6.790 6.823 629 H LYS 95 H LYS 95 -7.769 -2.703 5.927 630 HA LYS 95 HA LYS 95 -8.766 -1.002 3.755 631 HB2 LYS 95 1HB LYS 95 -10.285 -2.607 5.045 632 HB3 LYS 95 2HB LYS 95 -10.123 -1.497 6.400 633 HG2 LYS 95 1HG LYS 95 -11.278 0.200 5.311 634 HG3 LYS 95 2HG LYS 95 -11.030 -0.522 3.720 635 HD2 LYS 95 1HD LYS 95 -12.652 -1.882 5.854 636 HD3 LYS 95 2HD LYS 95 -13.363 -0.708 4.744 637 HE2 LYS 95 1HE LYS 95 -12.192 -2.218 2.932 638 HE3 LYS 95 2HE LYS 95 -12.286 -3.435 4.204 639 HZ1 LYS 95 1HZ LYS 95 -14.709 -2.885 4.347 640 HZ2 LYS 95 2HZ LYS 95 -14.232 -3.636 2.908 641 HZ3 LYS 95 3HZ LYS 95 -14.529 -1.970 2.934 642 H ALA 96 H ALA 96 -8.115 1.037 3.731 643 HA ALA 96 HA ALA 96 -7.287 2.301 6.251 644 HB1 ALA 96 1HB ALA 96 -5.738 2.148 4.208 645 HB2 ALA 96 2HB ALA 96 -6.748 3.423 3.524 646 HB3 ALA 96 3HB ALA 96 -5.878 3.702 5.032 647 H LYS 97 H LYS 97 -8.138 4.240 6.926 648 HA LYS 97 HA LYS 97 -10.462 5.236 5.411 649 HB2 LYS 97 1HB LYS 97 -11.020 4.024 7.547 650 HB3 LYS 97 2HB LYS 97 -10.155 5.284 8.416 651 HG2 LYS 97 1HG LYS 97 -11.715 6.954 7.503 652 HG3 LYS 97 2HG LYS 97 -12.604 5.655 6.703 653 HD2 LYS 97 1HD LYS 97 -13.486 4.869 8.661 654 HD3 LYS 97 2HD LYS 97 -12.112 5.416 9.626 655 HE2 LYS 97 1HE LYS 97 -13.827 6.847 10.274 656 HE3 LYS 97 2HE LYS 97 -12.947 7.789 9.072 657 HZ1 LYS 97 1HZ LYS 97 -15.595 6.541 8.880 658 HZ2 LYS 97 2HZ LYS 97 -14.677 6.709 7.470 659 HZ3 LYS 97 3HZ LYS 97 -15.090 8.076 8.377 660 H VAL 98 H VAL 98 -9.781 7.062 4.470 661 HA VAL 98 HA VAL 98 -7.956 8.853 5.854 662 HB VAL 98 HB VAL 98 -9.183 9.071 3.101 663 HG11 VAL 98 1HG1 VAL 98 -8.097 11.023 2.773 664 HG12 VAL 98 2HG1 VAL 98 -8.227 11.141 4.530 665 HG13 VAL 98 3HG1 VAL 98 -6.733 10.561 3.791 666 HG21 VAL 98 1HG2 VAL 98 -6.321 8.432 3.724 667 HG22 VAL 98 2HG2 VAL 98 -7.541 7.163 3.628 668 HG23 VAL 98 3HG2 VAL 98 -7.213 8.178 2.224 669 H THR 99 H THR 99 -8.473 10.793 6.713 670 HA THR 99 HA THR 99 -11.307 11.597 6.596 671 HB THR 99 HB THR 99 -11.067 12.578 8.799 672 HG1 THR 99 1HG THR 99 -8.785 13.092 8.556 673 HG21 THR 99 1HG2 THR 99 -10.688 10.550 10.130 674 HG22 THR 99 2HG2 THR 99 -9.958 9.768 8.728 675 HG23 THR 99 3HG2 THR 99 -11.665 10.210 8.702 676 H GLY 100 H GLY 100 -11.804 13.815 6.464 677 HA2 GLY 100 1HA GLY 100 -10.917 16.130 6.494 678 HA3 GLY 100 2HA GLY 100 -9.544 15.509 5.590 679 HA PRO 101 HA PRO 101 -13.041 17.094 2.788 680 HB2 PRO 101 1HB PRO 101 -11.850 19.388 1.956 681 HB3 PRO 101 2HB PRO 101 -12.906 19.313 3.372 682 HG2 PRO 101 1HG PRO 101 -9.916 19.302 3.237 683 HG3 PRO 101 2HG PRO 101 -10.983 20.181 4.347 684 HD2 PRO 101 1HD PRO 101 -9.718 17.893 5.050 685 HD3 PRO 101 2HD PRO 101 -11.312 18.339 5.692 686 H ARG 102 H ARG 102 -12.920 17.233 0.474 687 HA ARG 102 HA ARG 102 -11.038 15.519 -0.690 688 HB2 ARG 102 1HB ARG 102 -12.837 17.568 -1.996 689 HB3 ARG 102 2HB ARG 102 -11.962 16.310 -2.858 690 HG2 ARG 102 1HG ARG 102 -13.259 14.600 -1.887 691 HG3 ARG 102 2HG ARG 102 -13.929 15.694 -0.675 692 HD2 ARG 102 1HD ARG 102 -14.935 16.983 -2.623 693 HD3 ARG 102 2HD ARG 102 -14.505 15.597 -3.624 694 HE ARG 102 HE ARG 102 -15.916 14.575 -1.492 695 HH11 ARG 102 1HH1 ARG 102 -16.500 16.860 -4.053 696 HH12 ARG 102 2HH1 ARG 102 -18.200 16.537 -4.131 697 HH21 ARG 102 1HH2 ARG 102 -18.154 14.140 -1.585 698 HH22 ARG 102 2HH2 ARG 102 -19.140 14.990 -2.726 699 H LEU 103 H LEU 103 -8.981 15.845 -1.186 700 HA LEU 103 HA LEU 103 -8.113 18.570 -1.891 701 HB2 LEU 103 1HB LEU 103 -6.857 16.559 -0.067 702 HB3 LEU 103 2HB LEU 103 -5.857 17.745 -0.904 703 HG LEU 103 HG LEU 103 -8.175 18.576 0.815 704 HD11 LEU 103 1HD1 LEU 103 -7.103 18.090 2.693 705 HD12 LEU 103 2HD1 LEU 103 -5.642 18.893 2.120 706 HD13 LEU 103 3HD1 LEU 103 -5.919 17.194 1.741 707 HD21 LEU 103 1HD2 LEU 103 -6.737 20.622 1.018 708 HD22 LEU 103 2HD2 LEU 103 -7.363 20.307 -0.600 709 HD23 LEU 103 3HD2 LEU 103 -5.685 19.922 -0.212 710 H SER 104 H SER 104 -7.432 18.663 -3.917 711 HA SER 104 HA SER 104 -6.649 16.239 -5.312 712 HB2 SER 104 1HB SER 104 -7.279 19.052 -6.159 713 HB3 SER 104 2HB SER 104 -6.448 17.957 -7.263 714 HG SER 104 HG SER 104 -9.037 17.750 -6.171 715 H GLY 105 H GLY 105 -4.620 15.659 -5.778 716 HA2 GLY 105 1HA GLY 105 -2.485 17.640 -5.270 717 HA3 GLY 105 2HA GLY 105 -2.332 15.936 -4.868 718 H SER 106 H SER 106 -1.072 14.863 -6.218 719 HA SER 106 HA SER 106 -0.192 15.898 -8.688 720 HB2 SER 106 1HB SER 106 0.988 14.194 -7.194 721 HB3 SER 106 2HB SER 106 -0.077 12.984 -7.907 722 HG SER 106 HG SER 106 1.050 14.519 -9.820 723 H GLY 107 H GLY 107 -1.294 16.043 -10.520 724 HA2 GLY 107 1HA GLY 107 -2.444 13.960 -11.911 725 HA3 GLY 107 2HA GLY 107 -3.746 14.645 -10.950 726 HA PRO 108 HA PRO 108 -2.204 17.956 -14.174 727 HB2 PRO 108 1HB PRO 108 -1.041 16.882 -16.379 728 HB3 PRO 108 2HB PRO 108 -0.119 17.399 -14.962 729 HG2 PRO 108 1HG PRO 108 -1.006 14.649 -15.745 730 HG3 PRO 108 2HG PRO 108 0.558 15.179 -15.098 731 HD2 PRO 108 1HD PRO 108 -1.331 13.999 -13.559 732 HD3 PRO 108 2HD PRO 108 -0.214 15.226 -12.927 733 H SER 109 H SER 109 -3.552 14.836 -14.847 734 HA SER 109 HA SER 109 -4.779 15.260 -17.305 735 HB2 SER 109 1HB SER 109 -5.362 13.508 -14.956 736 HB3 SER 109 2HB SER 109 -6.581 13.646 -16.223 737 HG SER 109 HG SER 109 -3.949 13.193 -17.018 738 H SER 110 H SER 110 -5.975 16.971 -17.819 739 HA SER 110 HA SER 110 -7.394 18.766 -17.585 740 HB2 SER 110 1HB SER 110 -8.944 16.308 -16.854 741 HB3 SER 110 2HB SER 110 -9.729 17.885 -16.761 742 HG SER 110 HG SER 110 -8.333 17.037 -19.068 743 H GLY 111 H GLY 111 -5.653 18.798 -15.470 744 HA2 GLY 111 1HA GLY 111 -5.369 19.608 -13.339 745 HA3 GLY 111 2HA GLY 111 -6.877 20.462 -13.629 Start of MODEL 16 1 H1 GLY 1 H GLY 1 1.229 -28.094 -0.435 2 HA2 GLY 1 1HA GLY 1 0.792 -30.939 0.126 3 HA3 GLY 1 2HA GLY 1 -0.590 -29.858 0.217 4 H SER 2 H SER 2 2.141 -30.157 -2.053 5 HA SER 2 HA SER 2 0.340 -30.929 -4.188 6 HB2 SER 2 1HB SER 2 1.627 -28.227 -4.032 7 HB3 SER 2 2HB SER 2 1.399 -28.987 -5.607 8 HG SER 2 HG SER 2 -0.794 -29.030 -5.254 9 H SER 3 H SER 3 1.418 -31.728 -6.041 10 HA SER 3 HA SER 3 3.970 -32.901 -5.456 11 HB2 SER 3 1HB SER 3 2.080 -33.031 -7.794 12 HB3 SER 3 2HB SER 3 3.694 -33.734 -7.896 13 HG SER 3 HG SER 3 3.012 -34.792 -5.803 14 H GLY 4 H GLY 4 5.618 -32.910 -7.388 15 HA2 GLY 4 1HA GLY 4 7.095 -31.745 -8.718 16 HA3 GLY 4 2HA GLY 4 5.869 -30.498 -8.894 17 H SER 5 H SER 5 7.620 -28.967 -8.753 18 HA SER 5 HA SER 5 8.426 -28.473 -5.962 19 HB2 SER 5 1HB SER 5 10.086 -28.005 -8.452 20 HB3 SER 5 2HB SER 5 10.552 -27.535 -6.817 21 HG SER 5 HG SER 5 9.830 -30.195 -7.258 22 H SER 6 H SER 6 6.768 -27.006 -5.604 23 HA SER 6 HA SER 6 6.992 -24.486 -7.114 24 HB2 SER 6 1HB SER 6 4.890 -25.650 -7.668 25 HB3 SER 6 2HB SER 6 4.464 -25.688 -5.957 26 HG SER 6 HG SER 6 3.788 -23.842 -7.565 27 H GLY 7 H GLY 7 8.229 -23.338 -5.704 28 HA2 GLY 7 1HA GLY 7 7.013 -22.805 -3.073 29 HA3 GLY 7 2HA GLY 7 8.727 -23.176 -3.191 30 H ALA 8 H ALA 8 6.298 -20.769 -3.532 31 HA ALA 8 HA ALA 8 8.278 -18.832 -4.520 32 HB1 ALA 8 1HB ALA 8 6.660 -18.021 -5.800 33 HB2 ALA 8 2HB ALA 8 5.576 -19.277 -5.199 34 HB3 ALA 8 3HB ALA 8 5.657 -17.715 -4.382 35 H GLY 9 H GLY 9 9.270 -18.718 -2.398 36 HA2 GLY 9 1HA GLY 9 9.604 -17.749 -0.344 37 HA3 GLY 9 2HA GLY 9 8.519 -16.492 -0.919 38 H ASP 10 H ASP 10 7.240 -16.102 0.790 39 HA ASP 10 HA ASP 10 5.223 -17.970 1.482 40 HB2 ASP 10 1HB ASP 10 7.568 -17.677 3.317 41 HB3 ASP 10 2HB ASP 10 5.964 -17.897 4.010 42 HA PRO 11 HA PRO 11 3.617 -13.858 2.175 43 HB2 PRO 11 1HB PRO 11 1.027 -14.636 2.418 44 HB3 PRO 11 2HB PRO 11 1.843 -14.487 0.857 45 HG2 PRO 11 1HG PRO 11 1.324 -16.937 2.497 46 HG3 PRO 11 2HG PRO 11 1.158 -16.706 0.746 47 HD2 PRO 11 1HD PRO 11 3.302 -17.932 1.858 48 HD3 PRO 11 2HD PRO 11 3.418 -16.969 0.371 49 H GLY 12 H GLY 12 2.752 -16.685 4.144 50 HA2 GLY 12 1HA GLY 12 1.589 -15.424 6.316 51 HA3 GLY 12 2HA GLY 12 2.508 -16.919 6.415 52 H LEU 13 H LEU 13 4.976 -15.635 5.461 53 HA LEU 13 HA LEU 13 5.778 -14.486 8.020 54 HB2 LEU 13 1HB LEU 13 7.542 -15.179 5.684 55 HB3 LEU 13 2HB LEU 13 8.023 -14.916 7.359 56 HG LEU 13 HG LEU 13 6.483 -17.267 6.264 57 HD11 LEU 13 1HD1 LEU 13 9.259 -16.973 7.394 58 HD12 LEU 13 2HD1 LEU 13 8.816 -17.412 5.745 59 HD13 LEU 13 3HD1 LEU 13 8.471 -18.518 7.074 60 HD21 LEU 13 1HD2 LEU 13 7.416 -16.906 9.097 61 HD22 LEU 13 2HD2 LEU 13 6.320 -18.125 8.446 62 HD23 LEU 13 3HD2 LEU 13 5.796 -16.445 8.571 63 H VAL 14 H VAL 14 4.232 -13.050 5.856 64 HA VAL 14 HA VAL 14 6.065 -10.757 5.585 65 HB VAL 14 HB VAL 14 3.965 -11.686 3.623 66 HG11 VAL 14 1HG1 VAL 14 5.503 -9.118 3.815 67 HG12 VAL 14 2HG1 VAL 14 4.911 -9.722 2.266 68 HG13 VAL 14 3HG1 VAL 14 3.775 -9.359 3.565 69 HG21 VAL 14 1HG2 VAL 14 5.822 -11.943 2.087 70 HG22 VAL 14 2HG2 VAL 14 6.949 -11.355 3.310 71 HG23 VAL 14 3HG2 VAL 14 6.115 -12.891 3.546 72 H SER 15 H SER 15 5.358 -8.859 6.350 73 HA SER 15 HA SER 15 2.495 -8.468 6.815 74 HB2 SER 15 1HB SER 15 4.651 -8.414 8.907 75 HB3 SER 15 2HB SER 15 3.206 -7.420 9.090 76 HG SER 15 HG SER 15 3.490 -10.193 9.165 77 H ALA 16 H ALA 16 1.971 -6.190 7.337 78 HA ALA 16 HA ALA 16 3.968 -4.296 6.300 79 HB1 ALA 16 1HB ALA 16 1.659 -3.192 5.403 80 HB2 ALA 16 2HB ALA 16 2.726 -4.206 4.430 81 HB3 ALA 16 3HB ALA 16 1.312 -4.911 5.212 82 H TYR 17 H TYR 17 4.103 -2.392 7.364 83 HA TYR 17 HA TYR 17 2.009 -1.720 9.308 84 HB2 TYR 17 1HB TYR 17 3.756 -1.129 10.969 85 HB3 TYR 17 2HB TYR 17 3.731 -2.847 10.590 86 HD1 TYR 17 1HD TYR 17 5.520 0.323 9.858 87 HD2 TYR 17 2HD TYR 17 5.661 -3.929 9.797 88 HE1 TYR 17 1HE TYR 17 7.916 0.417 9.313 89 HE2 TYR 17 2HE TYR 17 8.059 -3.847 9.253 90 HH TYR 17 HH TYR 17 9.983 -1.977 9.694 91 H GLY 18 H GLY 18 1.731 0.470 9.710 92 HA2 GLY 18 1HA GLY 18 3.179 2.653 9.349 93 HA3 GLY 18 2HA GLY 18 2.885 2.216 7.672 94 HA PRO 19 HA PRO 19 -0.668 4.728 9.625 95 HB2 PRO 19 1HB PRO 19 -0.113 7.147 8.525 96 HB3 PRO 19 2HB PRO 19 0.504 6.645 10.103 97 HG2 PRO 19 1HG PRO 19 1.874 6.628 7.441 98 HG3 PRO 19 2HG PRO 19 2.505 7.129 9.021 99 HD2 PRO 19 1HD PRO 19 3.063 4.716 7.928 100 HD3 PRO 19 2HD PRO 19 2.925 4.961 9.681 101 H GLY 20 H GLY 20 0.831 4.468 6.481 102 HA2 GLY 20 1HA GLY 20 -1.260 5.513 4.906 103 HA3 GLY 20 2HA GLY 20 -0.040 4.373 4.359 104 H LEU 21 H LEU 21 -0.762 2.339 6.319 105 HA LEU 21 HA LEU 21 -2.849 1.078 4.813 106 HB2 LEU 21 1HB LEU 21 -1.669 0.129 7.411 107 HB3 LEU 21 2HB LEU 21 -2.459 -0.836 6.167 108 HG LEU 21 HG LEU 21 0.058 0.622 5.497 109 HD11 LEU 21 1HD1 LEU 21 0.140 -0.821 7.719 110 HD12 LEU 21 2HD1 LEU 21 1.458 -0.828 6.548 111 HD13 LEU 21 3HD1 LEU 21 0.279 -2.139 6.556 112 HD21 LEU 21 1HD2 LEU 21 -1.670 -1.236 4.239 113 HD22 LEU 21 2HD2 LEU 21 -0.129 -2.045 4.524 114 HD23 LEU 21 3HD2 LEU 21 -0.177 -0.532 3.618 115 H GLU 22 H GLU 22 -2.539 2.273 8.146 116 HA GLU 22 HA GLU 22 -5.250 1.651 8.819 117 HB2 GLU 22 1HB GLU 22 -2.974 3.038 10.148 118 HB3 GLU 22 2HB GLU 22 -4.594 3.375 10.743 119 HG2 GLU 22 1HG GLU 22 -3.731 0.547 10.382 120 HG3 GLU 22 2HG GLU 22 -3.168 1.458 11.782 121 H GLY 23 H GLY 23 -3.661 4.285 7.278 122 HA2 GLY 23 1HA GLY 23 -5.120 5.768 5.977 123 HA3 GLY 23 2HA GLY 23 -6.185 5.818 7.374 124 H GLY 24 H GLY 24 -5.603 8.197 6.478 125 HA2 GLY 24 1HA GLY 24 -4.017 9.346 8.594 126 HA3 GLY 24 2HA GLY 24 -3.294 9.527 7.003 127 H THR 25 H THR 25 -3.793 11.313 5.931 128 HA THR 25 HA THR 25 -6.391 12.592 6.436 129 HB THR 25 HB THR 25 -3.713 13.993 6.374 130 HG1 THR 25 1HG THR 25 -5.645 14.238 8.408 131 HG21 THR 25 1HG2 THR 25 -5.287 15.341 5.146 132 HG22 THR 25 2HG2 THR 25 -5.054 16.062 6.738 133 HG23 THR 25 3HG2 THR 25 -6.510 15.128 6.397 134 H THR 26 H THR 26 -7.057 14.089 4.741 135 HA THR 26 HA THR 26 -6.617 13.000 2.150 136 HB THR 26 HB THR 26 -8.023 14.925 1.363 137 HG1 THR 26 1HG THR 26 -8.577 16.478 2.733 138 HG21 THR 26 1HG2 THR 26 -9.181 13.439 3.723 139 HG22 THR 26 2HG2 THR 26 -8.983 12.754 2.110 140 HG23 THR 26 3HG2 THR 26 -10.067 14.123 2.361 141 H GLY 27 H GLY 27 -5.699 14.002 0.314 142 HA2 GLY 27 1HA GLY 27 -4.047 15.139 -0.801 143 HA3 GLY 27 2HA GLY 27 -4.456 16.495 0.240 144 H VAL 28 H VAL 28 -3.474 13.676 1.887 145 HA VAL 28 HA VAL 28 -0.826 14.881 2.355 146 HB VAL 28 HB VAL 28 -2.567 13.217 4.168 147 HG11 VAL 28 1HG1 VAL 28 -0.663 13.497 5.814 148 HG12 VAL 28 2HG1 VAL 28 -0.401 12.337 4.510 149 HG13 VAL 28 3HG1 VAL 28 0.341 13.935 4.433 150 HG21 VAL 28 1HG2 VAL 28 -3.255 15.278 4.719 151 HG22 VAL 28 2HG2 VAL 28 -1.711 15.406 5.561 152 HG23 VAL 28 3HG2 VAL 28 -1.881 16.051 3.929 153 H SER 29 H SER 29 0.921 13.768 1.774 154 HA SER 29 HA SER 29 0.761 11.355 0.346 155 HB2 SER 29 1HB SER 29 3.286 11.335 0.640 156 HB3 SER 29 2HB SER 29 2.613 12.791 -0.091 157 HG SER 29 HG SER 29 3.954 13.539 1.451 158 H SER 30 H SER 30 0.050 9.534 1.264 159 HA SER 30 HA SER 30 1.076 8.801 3.921 160 HB2 SER 30 1HB SER 30 -1.304 7.643 2.452 161 HB3 SER 30 2HB SER 30 -0.840 7.325 4.123 162 HG SER 30 HG SER 30 -1.029 9.833 4.154 163 H GLU 31 H GLU 31 2.276 7.006 4.211 164 HA GLU 31 HA GLU 31 2.504 5.073 2.026 165 HB2 GLU 31 1HB GLU 31 4.966 5.081 2.206 166 HB3 GLU 31 2HB GLU 31 4.331 6.621 1.643 167 HG2 GLU 31 1HG GLU 31 4.496 7.421 4.030 168 HG3 GLU 31 2HG GLU 31 5.409 5.951 4.363 169 H PHE 32 H PHE 32 4.041 3.217 2.805 170 HA PHE 32 HA PHE 32 4.042 2.713 5.633 171 HB2 PHE 32 1HB PHE 32 2.658 0.591 5.371 172 HB3 PHE 32 2HB PHE 32 1.768 2.110 5.332 173 HD1 PHE 32 2HD PHE 32 0.857 2.961 3.222 174 HD2 PHE 32 1HD PHE 32 2.785 -0.826 3.457 175 HE1 PHE 32 2HE PHE 32 -0.126 2.331 1.057 176 HE2 PHE 32 1HE PHE 32 1.806 -1.463 1.291 177 HZ PHE 32 HZ PHE 32 0.348 0.116 0.089 178 H ILE 33 H ILE 33 5.130 0.725 6.190 179 HA ILE 33 HA ILE 33 6.967 -0.129 4.065 180 HB ILE 33 HB ILE 33 7.205 -0.164 7.065 181 HG12 ILE 33 1HG1 ILE 33 8.867 1.074 4.860 182 HG13 ILE 33 2HG1 ILE 33 7.787 1.932 5.954 183 HG21 ILE 33 1HG2 ILE 33 8.087 -2.261 6.487 184 HG22 ILE 33 2HG2 ILE 33 8.838 -1.635 5.020 185 HG23 ILE 33 3HG2 ILE 33 9.488 -1.196 6.599 186 HD11 ILE 33 1HD1 ILE 33 10.484 0.804 6.442 187 HD12 ILE 33 2HD1 ILE 33 9.780 2.335 6.965 188 HD13 ILE 33 3HD1 ILE 33 9.337 0.835 7.780 189 H VAL 34 H VAL 34 7.234 -2.251 3.521 190 HA VAL 34 HA VAL 34 5.320 -4.146 4.717 191 HB VAL 34 HB VAL 34 6.546 -4.252 1.958 192 HG11 VAL 34 1HG1 VAL 34 5.872 -6.418 3.144 193 HG12 VAL 34 2HG1 VAL 34 4.211 -5.852 2.956 194 HG13 VAL 34 3HG1 VAL 34 5.216 -6.129 1.533 195 HG21 VAL 34 1HG2 VAL 34 3.687 -3.628 2.656 196 HG22 VAL 34 2HG2 VAL 34 4.902 -2.380 2.382 197 HG23 VAL 34 3HG2 VAL 34 4.478 -3.497 1.085 198 H ASN 35 H ASN 35 6.444 -5.228 6.239 199 HA ASN 35 HA ASN 35 9.197 -5.898 6.010 200 HB2 ASN 35 1HB ASN 35 8.439 -5.723 8.217 201 HB3 ASN 35 2HB ASN 35 6.994 -6.678 7.899 202 HD21 ASN 35 1HD2 ASN 35 10.368 -6.742 8.640 203 HD22 ASN 35 2HD2 ASN 35 10.478 -8.434 8.970 204 H THR 36 H THR 36 9.698 -7.132 4.266 205 HA THR 36 HA THR 36 8.289 -9.702 3.971 206 HB THR 36 HB THR 36 9.281 -9.719 1.649 207 HG1 THR 36 1HG THR 36 9.648 -6.935 2.003 208 HG21 THR 36 1HG2 THR 36 7.587 -7.276 1.908 209 HG22 THR 36 2HG2 THR 36 6.931 -8.828 2.428 210 HG23 THR 36 3HG2 THR 36 7.469 -8.612 0.763 211 H LEU 37 H LEU 37 11.098 -8.361 5.120 212 HA LEU 37 HA LEU 37 13.176 -9.934 4.241 213 HB2 LEU 37 1HB LEU 37 12.734 -9.118 7.106 214 HB3 LEU 37 2HB LEU 37 14.275 -9.482 6.331 215 HG LEU 37 HG LEU 37 12.620 -7.219 5.302 216 HD11 LEU 37 1HD1 LEU 37 13.296 -5.724 6.928 217 HD12 LEU 37 2HD1 LEU 37 14.583 -6.778 7.512 218 HD13 LEU 37 3HD1 LEU 37 12.900 -7.157 7.877 219 HD21 LEU 37 1HD2 LEU 37 15.537 -7.933 5.406 220 HD22 LEU 37 2HD2 LEU 37 14.979 -6.312 4.993 221 HD23 LEU 37 3HD2 LEU 37 14.513 -7.687 3.991 222 H ASN 38 H ASN 38 11.083 -10.619 7.048 223 HA ASN 38 HA ASN 38 12.075 -13.043 7.823 224 HB2 ASN 38 1HB ASN 38 9.361 -11.821 7.885 225 HB3 ASN 38 2HB ASN 38 9.482 -13.541 8.242 226 HD21 ASN 38 1HD2 ASN 38 11.658 -10.847 8.974 227 HD22 ASN 38 2HD2 ASN 38 11.634 -11.067 10.687 228 H ALA 39 H ALA 39 10.033 -12.351 5.055 229 HA ALA 39 HA ALA 39 9.374 -15.024 4.404 230 HB1 ALA 39 1HB ALA 39 8.728 -12.505 3.426 231 HB2 ALA 39 2HB ALA 39 9.549 -13.307 2.086 232 HB3 ALA 39 3HB ALA 39 8.136 -14.056 2.831 233 H GLY 40 H GLY 40 11.791 -12.828 2.952 234 HA2 GLY 40 1HA GLY 40 14.068 -13.957 2.787 235 HA3 GLY 40 2HA GLY 40 13.190 -15.218 1.933 236 H SER 41 H SER 41 12.067 -14.574 -0.069 237 HA SER 41 HA SER 41 12.803 -12.118 -1.349 238 HB2 SER 41 1HB SER 41 14.138 -13.113 -3.159 239 HB3 SER 41 2HB SER 41 14.916 -13.355 -1.595 240 HG SER 41 HG SER 41 13.232 -15.294 -2.786 241 H GLY 42 H GLY 42 11.741 -11.805 -3.356 242 HA2 GLY 42 1HA GLY 42 10.395 -13.507 -4.959 243 HA3 GLY 42 2HA GLY 42 9.307 -13.353 -3.587 244 H ALA 43 H ALA 43 7.835 -12.494 -5.243 245 HA ALA 43 HA ALA 43 8.426 -9.707 -5.972 246 HB1 ALA 43 1HB ALA 43 7.801 -10.485 -7.980 247 HB2 ALA 43 2HB ALA 43 6.973 -11.883 -7.292 248 HB3 ALA 43 3HB ALA 43 6.162 -10.318 -7.350 249 H LEU 44 H LEU 44 7.077 -8.053 -5.384 250 HA LEU 44 HA LEU 44 4.906 -8.750 -3.517 251 HB2 LEU 44 1HB LEU 44 6.567 -7.682 -2.251 252 HB3 LEU 44 2HB LEU 44 6.879 -6.490 -3.511 253 HG LEU 44 HG LEU 44 4.445 -5.710 -2.995 254 HD11 LEU 44 1HD1 LEU 44 5.007 -7.624 -0.840 255 HD12 LEU 44 2HD1 LEU 44 3.469 -7.035 -1.467 256 HD13 LEU 44 3HD1 LEU 44 4.380 -6.062 -0.313 257 HD21 LEU 44 1HD2 LEU 44 5.456 -3.958 -2.054 258 HD22 LEU 44 2HD2 LEU 44 6.957 -4.865 -2.246 259 HD23 LEU 44 3HD2 LEU 44 6.078 -4.926 -0.718 260 H SER 45 H SER 45 2.947 -7.738 -3.722 261 HA SER 45 HA SER 45 2.643 -5.907 -6.011 262 HB2 SER 45 1HB SER 45 1.734 -8.352 -6.219 263 HB3 SER 45 2HB SER 45 0.435 -7.764 -5.182 264 HG SER 45 HG SER 45 0.469 -5.948 -6.888 265 H VAL 46 H VAL 46 1.797 -4.000 -5.514 266 HA VAL 46 HA VAL 46 0.095 -3.784 -3.120 267 HB VAL 46 HB VAL 46 2.218 -1.812 -3.978 268 HG11 VAL 46 1HG1 VAL 46 1.520 -0.882 -1.618 269 HG12 VAL 46 2HG1 VAL 46 0.634 -0.423 -3.074 270 HG13 VAL 46 3HG1 VAL 46 -0.009 -1.671 -2.005 271 HG21 VAL 46 1HG2 VAL 46 3.424 -3.445 -2.902 272 HG22 VAL 46 2HG2 VAL 46 2.978 -2.414 -1.542 273 HG23 VAL 46 3HG2 VAL 46 2.081 -3.901 -1.853 274 H THR 47 H THR 47 -1.748 -2.663 -3.368 275 HA THR 47 HA THR 47 -2.056 -0.793 -5.577 276 HB THR 47 HB THR 47 -2.817 -2.616 -6.798 277 HG1 THR 47 1HG THR 47 -4.801 -1.934 -7.154 278 HG21 THR 47 1HG2 THR 47 -4.360 -3.665 -4.429 279 HG22 THR 47 2HG2 THR 47 -2.718 -4.178 -4.819 280 HG23 THR 47 3HG2 THR 47 -4.031 -4.483 -5.956 281 H ILE 48 H ILE 48 -4.287 0.235 -5.503 282 HA ILE 48 HA ILE 48 -5.357 0.321 -2.769 283 HB ILE 48 HB ILE 48 -4.740 2.770 -4.425 284 HG12 ILE 48 1HG1 ILE 48 -3.469 1.857 -1.838 285 HG13 ILE 48 2HG1 ILE 48 -2.745 1.628 -3.426 286 HG21 ILE 48 1HG2 ILE 48 -5.272 3.812 -2.082 287 HG22 ILE 48 2HG2 ILE 48 -6.573 3.410 -3.201 288 HG23 ILE 48 3HG2 ILE 48 -6.196 2.325 -1.864 289 HD11 ILE 48 1HD1 ILE 48 -3.531 4.383 -2.877 290 HD12 ILE 48 2HD1 ILE 48 -2.304 3.748 -1.780 291 HD13 ILE 48 3HD1 ILE 48 -2.023 3.734 -3.521 292 H ASP 49 H ASP 49 -7.522 1.131 -2.607 293 HA ASP 49 HA ASP 49 -9.012 1.485 -5.083 294 HB2 ASP 49 1HB ASP 49 -8.888 -1.028 -4.260 295 HB3 ASP 49 2HB ASP 49 -10.145 -0.489 -3.149 296 H GLY 50 H GLY 50 -9.978 3.373 -4.708 297 HA2 GLY 50 1HA GLY 50 -11.613 3.628 -2.286 298 HA3 GLY 50 2HA GLY 50 -10.425 4.879 -2.619 299 HA PRO 51 HA PRO 51 -14.497 6.002 -4.606 300 HB2 PRO 51 1HB PRO 51 -14.669 8.464 -3.476 301 HB3 PRO 51 2HB PRO 51 -15.299 7.005 -2.701 302 HG2 PRO 51 1HG PRO 51 -12.719 8.445 -2.216 303 HG3 PRO 51 2HG PRO 51 -13.853 7.754 -1.041 304 HD2 PRO 51 1HD PRO 51 -11.572 6.495 -1.778 305 HD3 PRO 51 2HD PRO 51 -13.048 5.614 -1.332 306 H SER 52 H SER 52 -11.291 6.970 -4.641 307 HA SER 52 HA SER 52 -11.604 8.281 -7.184 308 HB2 SER 52 1HB SER 52 -11.902 10.033 -5.248 309 HB3 SER 52 2HB SER 52 -10.146 9.918 -5.141 310 HG SER 52 HG SER 52 -11.526 10.434 -7.561 311 H LYS 53 H LYS 53 -9.827 8.043 -8.436 312 HA LYS 53 HA LYS 53 -7.914 6.166 -7.944 313 HB2 LYS 53 1HB LYS 53 -8.481 7.620 -10.082 314 HB3 LYS 53 2HB LYS 53 -7.095 8.554 -9.537 315 HG2 LYS 53 1HG LYS 53 -5.913 6.240 -9.441 316 HG3 LYS 53 2HG LYS 53 -7.213 5.743 -10.527 317 HD2 LYS 53 1HD LYS 53 -6.513 7.153 -12.220 318 HD3 LYS 53 2HD LYS 53 -5.669 8.235 -11.110 319 HE2 LYS 53 1HE LYS 53 -4.057 6.992 -12.406 320 HE3 LYS 53 2HE LYS 53 -3.986 6.469 -10.724 321 HZ1 LYS 53 1HZ LYS 53 -4.490 4.927 -13.028 322 HZ2 LYS 53 2HZ LYS 53 -5.835 4.841 -12.005 323 HZ3 LYS 53 3HZ LYS 53 -4.304 4.410 -11.428 324 H VAL 54 H VAL 54 -5.724 6.183 -7.318 325 HA VAL 54 HA VAL 54 -4.830 8.568 -5.847 326 HB VAL 54 HB VAL 54 -3.904 7.127 -4.073 327 HG11 VAL 54 1HG1 VAL 54 -6.544 6.208 -3.670 328 HG12 VAL 54 2HG1 VAL 54 -5.780 7.655 -3.009 329 HG13 VAL 54 3HG1 VAL 54 -6.652 7.738 -4.540 330 HG21 VAL 54 1HG2 VAL 54 -5.178 4.769 -4.100 331 HG22 VAL 54 2HG2 VAL 54 -4.978 5.010 -5.836 332 HG23 VAL 54 3HG2 VAL 54 -3.567 5.000 -4.778 333 H GLN 55 H GLN 55 -2.871 9.206 -6.447 334 HA GLN 55 HA GLN 55 -1.296 7.590 -8.232 335 HB2 GLN 55 1HB GLN 55 -1.635 10.200 -8.163 336 HB3 GLN 55 2HB GLN 55 -0.283 10.138 -7.040 337 HG2 GLN 55 1HG GLN 55 0.676 10.540 -9.131 338 HG3 GLN 55 2HG GLN 55 0.950 8.826 -8.824 339 HE21 GLN 55 1HE2 GLN 55 0.670 10.531 -11.308 340 HE22 GLN 55 2HE2 GLN 55 -0.477 9.676 -12.276 341 H LEU 56 H LEU 56 -0.351 5.879 -7.251 342 HA LEU 56 HA LEU 56 1.080 6.287 -4.734 343 HB2 LEU 56 1HB LEU 56 1.098 3.957 -4.478 344 HB3 LEU 56 2HB LEU 56 -0.498 4.350 -5.114 345 HG LEU 56 HG LEU 56 1.649 3.512 -7.009 346 HD11 LEU 56 1HD1 LEU 56 -0.030 1.351 -5.941 347 HD12 LEU 56 2HD1 LEU 56 1.209 1.954 -4.841 348 HD13 LEU 56 3HD1 LEU 56 1.665 1.342 -6.431 349 HD21 LEU 56 1HD2 LEU 56 -1.085 4.125 -7.161 350 HD22 LEU 56 2HD2 LEU 56 -0.960 2.380 -7.388 351 HD23 LEU 56 3HD2 LEU 56 -0.052 3.473 -8.434 352 H ASP 57 H ASP 57 3.250 5.355 -4.495 353 HA ASP 57 HA ASP 57 4.790 5.125 -6.967 354 HB2 ASP 57 1HB ASP 57 4.737 7.549 -5.931 355 HB3 ASP 57 2HB ASP 57 5.914 6.867 -4.811 356 H CYS 58 H CYS 58 5.827 3.259 -6.799 357 HA CYS 58 HA CYS 58 6.358 2.040 -4.255 358 HB2 CYS 58 1HB CYS 58 5.755 0.888 -6.500 359 HB3 CYS 58 2HB CYS 58 7.466 1.061 -6.871 360 HG CYS 58 HG CYS 58 6.015 -1.311 -5.224 361 H ARG 59 H ARG 59 8.271 1.824 -3.197 362 HA ARG 59 HA ARG 59 10.704 2.856 -4.455 363 HB2 ARG 59 1HB ARG 59 9.345 3.961 -2.045 364 HB3 ARG 59 2HB ARG 59 11.102 3.895 -2.039 365 HG2 ARG 59 1HG ARG 59 10.966 5.089 -4.299 366 HG3 ARG 59 2HG ARG 59 9.290 5.428 -3.864 367 HD2 ARG 59 1HD ARG 59 9.939 6.669 -1.957 368 HD3 ARG 59 2HD ARG 59 11.602 6.090 -2.059 369 HE ARG 59 HE ARG 59 10.682 7.623 -4.334 370 HH11 ARG 59 1HH1 ARG 59 12.290 7.665 -1.246 371 HH12 ARG 59 2HH1 ARG 59 13.122 9.154 -1.553 372 HH21 ARG 59 1HH2 ARG 59 11.771 9.584 -4.749 373 HH22 ARG 59 2HH2 ARG 59 12.825 10.245 -3.546 374 H GLU 60 H GLU 60 12.572 2.573 -2.689 375 HA GLU 60 HA GLU 60 12.345 -0.213 -1.770 376 HB2 GLU 60 1HB GLU 60 14.618 -0.519 -2.205 377 HB3 GLU 60 2HB GLU 60 14.080 0.484 -3.545 378 HG2 GLU 60 1HG GLU 60 15.983 1.584 -2.985 379 HG3 GLU 60 2HG GLU 60 14.839 2.434 -1.948 380 H CYS 61 H CYS 61 13.222 -0.807 0.249 381 HA CYS 61 HA CYS 61 14.129 1.277 2.052 382 HB2 CYS 61 1HB CYS 61 12.420 0.713 3.767 383 HB3 CYS 61 2HB CYS 61 11.732 1.461 2.331 384 HG CYS 61 HG CYS 61 11.143 -1.260 1.312 385 HA PRO 62 HA PRO 62 16.544 -1.996 3.702 386 HB2 PRO 62 1HB PRO 62 16.907 -1.127 6.248 387 HB3 PRO 62 2HB PRO 62 17.707 -0.386 4.856 388 HG2 PRO 62 1HG PRO 62 15.262 0.508 6.333 389 HG3 PRO 62 2HG PRO 62 16.626 1.473 5.739 390 HD2 PRO 62 1HD PRO 62 14.262 1.330 4.426 391 HD3 PRO 62 2HD PRO 62 15.812 1.528 3.583 392 H GLU 63 H GLU 63 13.378 -1.483 4.608 393 HA GLU 63 HA GLU 63 13.388 -3.731 6.506 394 HB2 GLU 63 1HB GLU 63 11.413 -1.494 6.067 395 HB3 GLU 63 2HB GLU 63 11.046 -2.907 7.045 396 HG2 GLU 63 1HG GLU 63 13.510 -1.352 7.641 397 HG3 GLU 63 2HG GLU 63 11.946 -0.703 8.131 398 H GLY 64 H GLY 64 12.891 -3.083 3.315 399 HA2 GLY 64 1HA GLY 64 12.232 -5.322 2.212 400 HA3 GLY 64 2HA GLY 64 10.705 -5.032 3.032 401 H HIS 65 H HIS 65 9.246 -3.625 2.169 402 HA HIS 65 HA HIS 65 10.059 -2.126 -0.224 403 HB2 HIS 65 1HB HIS 65 7.727 -4.014 0.053 404 HB3 HIS 65 2HB HIS 65 7.761 -2.751 -1.175 405 HD1 HIS 65 1HD HIS 65 8.814 -3.381 -3.327 406 HD2 HIS 65 2HD HIS 65 10.040 -5.848 -0.217 407 HE1 HIS 65 1HE HIS 65 10.238 -5.155 -4.398 408 HE2 HIS 65 2HE HIS 65 10.898 -6.685 -2.509 409 H VAL 66 H VAL 66 8.997 -0.188 -0.570 410 HA VAL 66 HA VAL 66 7.006 0.620 1.436 411 HB VAL 66 HB VAL 66 9.257 1.488 2.073 412 HG11 VAL 66 1HG1 VAL 66 9.643 1.905 -0.571 413 HG12 VAL 66 2HG1 VAL 66 9.206 3.532 -0.043 414 HG13 VAL 66 3HG1 VAL 66 10.571 2.699 0.702 415 HG21 VAL 66 1HG2 VAL 66 7.899 3.980 1.422 416 HG22 VAL 66 2HG2 VAL 66 6.815 2.760 2.091 417 HG23 VAL 66 3HG2 VAL 66 8.246 3.257 2.993 418 H VAL 67 H VAL 67 5.433 2.023 0.729 419 HA VAL 67 HA VAL 67 5.589 2.958 -2.051 420 HB VAL 67 HB VAL 67 3.205 1.548 -0.843 421 HG11 VAL 67 1HG1 VAL 67 2.682 1.807 -3.499 422 HG12 VAL 67 2HG1 VAL 67 2.064 2.882 -2.244 423 HG13 VAL 67 3HG1 VAL 67 3.508 3.326 -3.155 424 HG21 VAL 67 1HG2 VAL 67 3.633 -0.019 -2.800 425 HG22 VAL 67 2HG2 VAL 67 5.216 0.747 -2.930 426 HG23 VAL 67 3HG2 VAL 67 4.768 -0.106 -1.453 427 H THR 68 H THR 68 4.740 4.945 -2.413 428 HA THR 68 HA THR 68 3.416 6.269 -0.135 429 HB THR 68 HB THR 68 5.040 7.754 -2.187 430 HG1 THR 68 1HG THR 68 6.154 5.998 -0.781 431 HG21 THR 68 1HG2 THR 68 4.760 8.564 0.660 432 HG22 THR 68 2HG2 THR 68 3.350 8.732 -0.386 433 HG23 THR 68 3HG2 THR 68 4.854 9.557 -0.793 434 H TYR 69 H TYR 69 1.486 7.167 -0.506 435 HA TYR 69 HA TYR 69 0.699 7.763 -3.270 436 HB2 TYR 69 1HB TYR 69 -1.356 6.618 -3.105 437 HB3 TYR 69 2HB TYR 69 -0.167 5.497 -2.452 438 HD1 TYR 69 1HD TYR 69 -2.788 7.942 -1.501 439 HD2 TYR 69 2HD TYR 69 -0.350 4.689 -0.243 440 HE1 TYR 69 1HE TYR 69 -4.104 7.764 0.569 441 HE2 TYR 69 2HE TYR 69 -1.661 4.501 1.829 442 HH TYR 69 HH TYR 69 -3.343 5.309 3.024 443 H THR 70 H THR 70 -1.327 9.093 -3.347 444 HA THR 70 HA THR 70 -1.585 10.820 -0.977 445 HB THR 70 HB THR 70 -1.456 11.783 -3.841 446 HG1 THR 70 1HG THR 70 0.563 11.157 -2.644 447 HG21 THR 70 1HG2 THR 70 -2.524 12.969 -1.430 448 HG22 THR 70 2HG2 THR 70 -2.588 13.556 -3.092 449 HG23 THR 70 3HG2 THR 70 -1.194 13.929 -2.078 450 HA PRO 71 HA PRO 71 -5.866 9.771 -1.642 451 HB2 PRO 71 1HB PRO 71 -6.830 11.213 0.446 452 HB3 PRO 71 2HB PRO 71 -6.031 9.649 0.646 453 HG2 PRO 71 1HG PRO 71 -4.917 12.404 1.005 454 HG3 PRO 71 2HG PRO 71 -4.693 10.966 2.018 455 HD2 PRO 71 1HD PRO 71 -2.834 11.795 0.231 456 HD3 PRO 71 2HD PRO 71 -3.084 10.082 0.624 457 H MET 72 H MET 72 -7.609 10.747 -2.599 458 HA MET 72 HA MET 72 -7.347 13.626 -3.169 459 HB2 MET 72 1HB MET 72 -8.758 11.602 -4.905 460 HB3 MET 72 2HB MET 72 -8.354 13.265 -5.310 461 HG2 MET 72 1HG MET 72 -6.119 11.457 -4.607 462 HG3 MET 72 2HG MET 72 -6.928 11.192 -6.151 463 HE1 MET 72 1HE MET 72 -6.748 14.853 -4.626 464 HE2 MET 72 2HE MET 72 -5.455 13.943 -3.846 465 HE3 MET 72 3HE MET 72 -5.063 15.241 -4.974 466 H ALA 73 H ALA 73 -9.206 11.260 -1.660 467 HA ALA 73 HA ALA 73 -11.269 13.181 -1.031 468 HB1 ALA 73 1HB ALA 73 -11.797 10.815 -2.774 469 HB2 ALA 73 2HB ALA 73 -13.043 11.374 -1.657 470 HB3 ALA 73 3HB ALA 73 -12.416 12.463 -2.895 471 HA PRO 74 HA PRO 74 -11.081 10.999 2.788 472 HB2 PRO 74 1HB PRO 74 -13.431 11.822 3.872 473 HB3 PRO 74 2HB PRO 74 -12.017 12.874 3.732 474 HG2 PRO 74 1HG PRO 74 -14.437 12.709 1.977 475 HG3 PRO 74 2HG PRO 74 -13.584 14.144 2.575 476 HD2 PRO 74 1HD PRO 74 -13.235 13.181 0.068 477 HD3 PRO 74 2HD PRO 74 -11.936 13.988 0.970 478 H GLY 75 H GLY 75 -11.280 8.832 2.663 479 HA2 GLY 75 1HA GLY 75 -13.808 7.607 3.081 480 HA3 GLY 75 2HA GLY 75 -13.293 7.383 1.416 481 H ASN 76 H ASN 76 -13.395 5.084 2.087 482 HA ASN 76 HA ASN 76 -11.055 4.243 3.648 483 HB2 ASN 76 1HB ASN 76 -13.270 2.423 2.727 484 HB3 ASN 76 2HB ASN 76 -12.156 2.203 4.073 485 HD21 ASN 76 1HD2 ASN 76 -12.357 3.781 5.857 486 HD22 ASN 76 2HD2 ASN 76 -13.942 4.322 6.281 487 H TYR 77 H TYR 77 -9.314 3.943 2.418 488 HA TYR 77 HA TYR 77 -9.608 2.949 -0.311 489 HB2 TYR 77 1HB TYR 77 -7.261 4.097 1.203 490 HB3 TYR 77 2HB TYR 77 -7.123 3.427 -0.419 491 HD1 TYR 77 1HD TYR 77 -8.596 6.147 1.589 492 HD2 TYR 77 2HD TYR 77 -7.881 4.649 -2.328 493 HE1 TYR 77 1HE TYR 77 -9.251 8.321 0.644 494 HE2 TYR 77 2HE TYR 77 -8.532 6.819 -3.284 495 HH TYR 77 HH TYR 77 -9.164 8.903 -2.860 496 H LEU 78 H LEU 78 -9.512 0.844 -0.681 497 HA LEU 78 HA LEU 78 -8.466 -0.981 1.288 498 HB2 LEU 78 1HB LEU 78 -10.498 -1.285 -0.286 499 HB3 LEU 78 2HB LEU 78 -9.295 -1.753 -1.485 500 HG LEU 78 HG LEU 78 -10.364 -3.679 -0.370 501 HD11 LEU 78 1HD1 LEU 78 -7.979 -3.650 -1.259 502 HD12 LEU 78 2HD1 LEU 78 -8.400 -4.935 -0.127 503 HD13 LEU 78 3HD1 LEU 78 -7.473 -3.540 0.427 504 HD21 LEU 78 1HD2 LEU 78 -10.498 -3.930 1.852 505 HD22 LEU 78 2HD2 LEU 78 -10.180 -2.196 1.912 506 HD23 LEU 78 3HD2 LEU 78 -8.855 -3.343 2.115 507 H ILE 79 H ILE 79 -6.398 -1.506 1.438 508 HA ILE 79 HA ILE 79 -4.680 -1.228 -0.927 509 HB ILE 79 HB ILE 79 -3.940 -1.436 1.994 510 HG12 ILE 79 1HG1 ILE 79 -3.518 0.912 0.153 511 HG13 ILE 79 2HG1 ILE 79 -5.003 0.718 1.079 512 HG21 ILE 79 1HG2 ILE 79 -2.338 -2.437 0.266 513 HG22 ILE 79 2HG2 ILE 79 -2.064 -0.774 -0.251 514 HG23 ILE 79 3HG2 ILE 79 -1.685 -1.257 1.403 515 HD11 ILE 79 1HD1 ILE 79 -3.902 0.990 3.115 516 HD12 ILE 79 2HD1 ILE 79 -2.316 0.694 2.399 517 HD13 ILE 79 3HD1 ILE 79 -3.175 2.195 2.053 518 H ALA 80 H ALA 80 -4.163 -3.006 -1.999 519 HA ALA 80 HA ALA 80 -4.403 -5.605 -0.674 520 HB1 ALA 80 1HB ALA 80 -3.781 -5.495 -3.554 521 HB2 ALA 80 2HB ALA 80 -4.939 -6.496 -2.677 522 HB3 ALA 80 3HB ALA 80 -5.339 -4.824 -3.071 523 H ILE 81 H ILE 81 -2.677 -6.741 -0.076 524 HA ILE 81 HA ILE 81 -0.077 -6.109 -1.305 525 HB ILE 81 HB ILE 81 -0.529 -6.719 1.618 526 HG12 ILE 81 1HG1 ILE 81 0.452 -4.130 0.419 527 HG13 ILE 81 2HG1 ILE 81 -1.250 -4.424 0.761 528 HG21 ILE 81 1HG2 ILE 81 1.965 -6.106 0.044 529 HG22 ILE 81 2HG2 ILE 81 1.883 -6.101 1.805 530 HG23 ILE 81 3HG2 ILE 81 1.581 -7.592 0.913 531 HD11 ILE 81 1HD1 ILE 81 0.360 -3.220 2.480 532 HD12 ILE 81 2HD1 ILE 81 -0.966 -4.259 3.002 533 HD13 ILE 81 3HD1 ILE 81 0.681 -4.888 2.955 534 H LYS 82 H LYS 82 0.434 -7.845 -2.471 535 HA LYS 82 HA LYS 82 0.019 -10.505 -1.269 536 HB2 LYS 82 1HB LYS 82 0.193 -9.823 -4.210 537 HB3 LYS 82 2HB LYS 82 -0.136 -11.408 -3.523 538 HG2 LYS 82 1HG LYS 82 -2.160 -10.201 -2.413 539 HG3 LYS 82 2HG LYS 82 -1.904 -9.014 -3.695 540 HD2 LYS 82 1HD LYS 82 -1.949 -10.973 -5.312 541 HD3 LYS 82 2HD LYS 82 -2.556 -11.940 -3.966 542 HE2 LYS 82 1HE LYS 82 -4.471 -11.221 -5.126 543 HE3 LYS 82 2HE LYS 82 -4.365 -10.173 -3.712 544 HZ1 LYS 82 1HZ LYS 82 -3.005 -8.717 -5.431 545 HZ2 LYS 82 2HZ LYS 82 -4.687 -8.608 -5.293 546 HZ3 LYS 82 3HZ LYS 82 -3.999 -9.530 -6.533 547 H TYR 83 H TYR 83 1.620 -12.149 -1.859 548 HA TYR 83 HA TYR 83 4.181 -11.242 -2.849 549 HB2 TYR 83 1HB TYR 83 4.091 -10.661 -0.368 550 HB3 TYR 83 2HB TYR 83 4.080 -12.394 -0.062 551 HD1 TYR 83 2HD TYR 83 6.072 -9.604 -1.427 552 HD2 TYR 83 1HD TYR 83 6.072 -13.694 -0.252 553 HE1 TYR 83 2HE TYR 83 8.528 -9.636 -1.556 554 HE2 TYR 83 1HE TYR 83 8.528 -13.736 -0.377 555 HH TYR 83 HH TYR 83 10.413 -11.098 -0.398 556 H GLY 84 H GLY 84 5.301 -12.861 -3.793 557 HA2 GLY 84 1HA GLY 84 5.438 -14.922 -4.858 558 HA3 GLY 84 2HA GLY 84 5.640 -15.451 -3.194 559 H GLY 85 H GLY 85 2.746 -14.186 -4.817 560 HA2 GLY 85 1HA GLY 85 1.428 -16.508 -5.436 561 HA3 GLY 85 2HA GLY 85 1.135 -16.287 -3.718 562 HA PRO 86 HA PRO 86 -1.580 -13.516 -6.586 563 HB2 PRO 86 1HB PRO 86 -3.649 -15.179 -7.155 564 HB3 PRO 86 2HB PRO 86 -2.235 -15.012 -8.202 565 HG2 PRO 86 1HG PRO 86 -2.854 -17.129 -6.177 566 HG3 PRO 86 2HG PRO 86 -2.180 -17.304 -7.808 567 HD2 PRO 86 1HD PRO 86 -0.642 -17.377 -5.581 568 HD3 PRO 86 2HD PRO 86 -0.053 -16.733 -7.126 569 H GLN 87 H GLN 87 -1.813 -15.454 -3.826 570 HA GLN 87 HA GLN 87 -4.409 -14.428 -3.004 571 HB2 GLN 87 1HB GLN 87 -2.459 -16.305 -1.664 572 HB3 GLN 87 2HB GLN 87 -3.986 -15.805 -0.950 573 HG2 GLN 87 1HG GLN 87 -5.131 -16.751 -2.966 574 HG3 GLN 87 2HG GLN 87 -3.573 -17.420 -3.449 575 HE21 GLN 87 1HE2 GLN 87 -5.200 -19.320 -3.255 576 HE22 GLN 87 2HE2 GLN 87 -5.150 -20.169 -1.751 577 H HIS 88 H HIS 88 -4.645 -13.427 -0.853 578 HA HIS 88 HA HIS 88 -2.790 -11.256 -0.566 579 HB2 HIS 88 1HB HIS 88 -5.286 -12.053 0.930 580 HB3 HIS 88 2HB HIS 88 -4.314 -10.658 1.390 581 HD1 HIS 88 1HD HIS 88 -5.250 -8.568 0.493 582 HD2 HIS 88 2HD HIS 88 -5.934 -11.771 -2.063 583 HE1 HIS 88 1HE HIS 88 -6.525 -7.614 -1.454 584 HE2 HIS 88 2HE HIS 88 -7.001 -9.586 -2.946 585 H ILE 89 H ILE 89 -1.600 -10.722 1.324 586 HA ILE 89 HA ILE 89 -0.419 -13.029 2.594 587 HB ILE 89 HB ILE 89 1.164 -11.494 3.574 588 HG12 ILE 89 1HG1 ILE 89 -0.145 -9.131 2.297 589 HG13 ILE 89 2HG1 ILE 89 -0.775 -9.713 3.835 590 HG21 ILE 89 1HG2 ILE 89 1.679 -10.161 1.311 591 HG22 ILE 89 2HG2 ILE 89 1.992 -11.885 1.506 592 HG23 ILE 89 3HG2 ILE 89 0.523 -11.342 0.695 593 HD11 ILE 89 1HD1 ILE 89 0.732 -8.278 4.672 594 HD12 ILE 89 2HD1 ILE 89 1.850 -9.616 4.404 595 HD13 ILE 89 3HD1 ILE 89 1.733 -8.314 3.221 596 H VAL 90 H VAL 90 -0.159 -13.230 4.908 597 HA VAL 90 HA VAL 90 -2.452 -13.309 6.369 598 HB VAL 90 HB VAL 90 -0.402 -14.373 7.133 599 HG11 VAL 90 1HG1 VAL 90 1.537 -13.309 7.390 600 HG12 VAL 90 2HG1 VAL 90 0.759 -11.891 6.683 601 HG13 VAL 90 3HG1 VAL 90 0.808 -12.090 8.435 602 HG21 VAL 90 1HG2 VAL 90 -0.483 -13.463 9.576 603 HG22 VAL 90 2HG2 VAL 90 -1.829 -12.498 8.970 604 HG23 VAL 90 3HG2 VAL 90 -1.899 -14.258 8.886 605 H GLY 91 H GLY 91 -3.832 -11.833 7.087 606 HA2 GLY 91 1HA GLY 91 -4.324 -9.933 8.461 607 HA3 GLY 91 2HA GLY 91 -2.787 -9.231 7.976 608 H SER 92 H SER 92 -3.038 -9.672 5.181 609 HA SER 92 HA SER 92 -4.556 -7.371 4.483 610 HB2 SER 92 1HB SER 92 -2.875 -9.350 3.030 611 HB3 SER 92 2HB SER 92 -4.032 -8.422 2.077 612 HG SER 92 HG SER 92 -2.447 -7.017 2.104 613 HA PRO 93 HA PRO 93 -5.274 -6.804 2.199 614 HB2 PRO 93 1HB PRO 93 -7.563 -5.377 1.889 615 HB3 PRO 93 2HB PRO 93 -7.045 -6.621 0.746 616 HG2 PRO 93 1HG PRO 93 -9.051 -6.801 2.960 617 HG3 PRO 93 2HG PRO 93 -9.148 -7.439 1.309 618 HD2 PRO 93 1HD PRO 93 -8.513 -8.991 3.434 619 HD3 PRO 93 2HD PRO 93 -7.858 -9.282 1.810 620 H PHE 94 H PHE 94 -5.713 -4.354 2.727 621 HA PHE 94 HA PHE 94 -6.153 -4.077 5.625 622 HB2 PHE 94 1HB PHE 94 -3.929 -2.921 3.945 623 HB3 PHE 94 2HB PHE 94 -4.340 -2.292 5.537 624 HD1 PHE 94 2HD PHE 94 -4.044 -3.708 7.538 625 HD2 PHE 94 1HD PHE 94 -2.720 -4.944 3.686 626 HE1 PHE 94 2HE PHE 94 -2.611 -5.415 8.581 627 HE2 PHE 94 1HE PHE 94 -1.286 -6.653 4.723 628 HZ PHE 94 HZ PHE 94 -1.229 -6.889 7.174 629 H LYS 95 H LYS 95 -7.452 -2.454 6.234 630 HA LYS 95 HA LYS 95 -8.603 -0.778 4.142 631 HB2 LYS 95 1HB LYS 95 -10.119 -1.983 5.657 632 HB3 LYS 95 2HB LYS 95 -9.413 -1.145 7.033 633 HG2 LYS 95 1HG LYS 95 -11.249 0.148 6.718 634 HG3 LYS 95 2HG LYS 95 -10.130 0.986 5.640 635 HD2 LYS 95 1HD LYS 95 -11.832 -1.251 4.610 636 HD3 LYS 95 2HD LYS 95 -12.508 0.369 4.792 637 HE2 LYS 95 1HE LYS 95 -10.461 1.155 3.459 638 HE3 LYS 95 2HE LYS 95 -10.251 -0.543 3.035 639 HZ1 LYS 95 1HZ LYS 95 -11.894 -0.426 1.565 640 HZ2 LYS 95 2HZ LYS 95 -11.845 1.256 1.743 641 HZ3 LYS 95 3HZ LYS 95 -12.940 0.341 2.651 642 H ALA 96 H ALA 96 -8.151 1.315 3.899 643 HA ALA 96 HA ALA 96 -6.664 2.672 6.055 644 HB1 ALA 96 1HB ALA 96 -6.008 2.307 3.286 645 HB2 ALA 96 2HB ALA 96 -6.160 4.026 3.652 646 HB3 ALA 96 3HB ALA 96 -5.045 3.023 4.579 647 H LYS 97 H LYS 97 -8.200 3.845 7.067 648 HA LYS 97 HA LYS 97 -10.211 5.278 5.532 649 HB2 LYS 97 1HB LYS 97 -10.895 4.139 7.585 650 HB3 LYS 97 2HB LYS 97 -9.745 5.091 8.515 651 HG2 LYS 97 1HG LYS 97 -11.111 7.098 7.466 652 HG3 LYS 97 2HG LYS 97 -12.370 5.865 7.372 653 HD2 LYS 97 1HD LYS 97 -12.765 6.738 9.463 654 HD3 LYS 97 2HD LYS 97 -11.679 5.404 9.857 655 HE2 LYS 97 1HE LYS 97 -9.796 7.130 9.632 656 HE3 LYS 97 2HE LYS 97 -11.074 8.341 9.710 657 HZ1 LYS 97 1HZ LYS 97 -9.834 7.358 11.851 658 HZ2 LYS 97 2HZ LYS 97 -11.154 6.304 11.772 659 HZ3 LYS 97 3HZ LYS 97 -11.410 7.973 11.886 660 H VAL 98 H VAL 98 -9.617 7.141 4.638 661 HA VAL 98 HA VAL 98 -7.701 8.863 6.042 662 HB VAL 98 HB VAL 98 -8.689 8.988 3.189 663 HG11 VAL 98 1HG1 VAL 98 -8.037 11.177 4.328 664 HG12 VAL 98 2HG1 VAL 98 -6.392 10.537 4.350 665 HG13 VAL 98 3HG1 VAL 98 -7.224 10.782 2.814 666 HG21 VAL 98 1HG2 VAL 98 -7.137 7.462 2.753 667 HG22 VAL 98 2HG2 VAL 98 -5.903 8.575 3.344 668 HG23 VAL 98 3HG2 VAL 98 -6.655 7.424 4.449 669 H THR 99 H THR 99 -8.217 10.858 6.768 670 HA THR 99 HA THR 99 -11.008 11.733 6.399 671 HB THR 99 HB THR 99 -10.605 11.142 8.714 672 HG1 THR 99 1HG THR 99 -10.487 13.959 8.742 673 HG21 THR 99 1HG2 THR 99 -8.202 12.906 8.388 674 HG22 THR 99 2HG2 THR 99 -8.306 11.280 9.063 675 HG23 THR 99 3HG2 THR 99 -8.925 12.656 9.976 676 H GLY 100 H GLY 100 -11.396 14.039 6.362 677 HA2 GLY 100 1HA GLY 100 -10.181 16.260 6.397 678 HA3 GLY 100 2HA GLY 100 -9.091 15.507 5.242 679 HA PRO 101 HA PRO 101 -12.833 17.615 3.185 680 HB2 PRO 101 1HB PRO 101 -11.573 19.830 2.249 681 HB3 PRO 101 2HB PRO 101 -12.370 19.772 3.825 682 HG2 PRO 101 1HG PRO 101 -9.466 19.486 3.160 683 HG3 PRO 101 2HG PRO 101 -10.228 20.397 4.477 684 HD2 PRO 101 1HD PRO 101 -9.104 17.962 4.850 685 HD3 PRO 101 2HD PRO 101 -10.508 18.519 5.783 686 H ARG 102 H ARG 102 -13.174 16.773 1.234 687 HA ARG 102 HA ARG 102 -11.446 15.423 -0.349 688 HB2 ARG 102 1HB ARG 102 -13.981 15.743 -0.613 689 HB3 ARG 102 2HB ARG 102 -13.578 17.154 -1.582 690 HG2 ARG 102 1HG ARG 102 -12.083 15.479 -2.901 691 HG3 ARG 102 2HG ARG 102 -13.133 14.265 -2.167 692 HD2 ARG 102 1HD ARG 102 -15.073 15.692 -3.031 693 HD3 ARG 102 2HD ARG 102 -13.867 16.504 -4.028 694 HE ARG 102 HE ARG 102 -13.444 13.912 -4.604 695 HH11 ARG 102 1HH1 ARG 102 -16.330 15.856 -4.511 696 HH12 ARG 102 2HH1 ARG 102 -17.137 14.949 -5.748 697 HH21 ARG 102 1HH2 ARG 102 -14.495 12.711 -6.233 698 HH22 ARG 102 2HH2 ARG 102 -16.093 13.160 -6.726 699 H LEU 103 H LEU 103 -9.543 15.998 -1.154 700 HA LEU 103 HA LEU 103 -9.158 18.757 -2.080 701 HB2 LEU 103 1HB LEU 103 -7.353 16.651 -1.005 702 HB3 LEU 103 2HB LEU 103 -6.685 17.826 -2.136 703 HG LEU 103 HG LEU 103 -8.189 18.832 0.230 704 HD11 LEU 103 1HD1 LEU 103 -6.338 16.961 0.732 705 HD12 LEU 103 2HD1 LEU 103 -6.616 18.353 1.778 706 HD13 LEU 103 3HD1 LEU 103 -5.297 18.379 0.608 707 HD21 LEU 103 1HD2 LEU 103 -7.164 20.771 -0.249 708 HD22 LEU 103 2HD2 LEU 103 -6.891 20.034 -1.828 709 HD23 LEU 103 3HD2 LEU 103 -5.623 19.989 -0.603 710 H SER 104 H SER 104 -10.632 17.452 -3.845 711 HA SER 104 HA SER 104 -8.830 16.356 -5.883 712 HB2 SER 104 1HB SER 104 -10.807 15.474 -6.964 713 HB3 SER 104 2HB SER 104 -10.868 15.052 -5.253 714 HG SER 104 HG SER 104 -12.670 16.372 -6.662 715 H GLY 105 H GLY 105 -7.912 18.328 -6.561 716 HA2 GLY 105 1HA GLY 105 -7.760 20.241 -7.824 717 HA3 GLY 105 2HA GLY 105 -9.080 19.552 -8.758 718 H SER 106 H SER 106 -11.208 20.185 -8.328 719 HA SER 106 HA SER 106 -12.793 21.781 -7.938 720 HB2 SER 106 1HB SER 106 -12.584 20.606 -5.709 721 HB3 SER 106 2HB SER 106 -11.542 21.931 -5.189 722 HG SER 106 HG SER 106 -13.523 23.206 -6.068 723 H GLY 107 H GLY 107 -10.445 22.783 -9.149 724 HA2 GLY 107 1HA GLY 107 -10.452 25.530 -8.066 725 HA3 GLY 107 2HA GLY 107 -8.967 24.768 -8.615 726 HA PRO 108 HA PRO 108 -11.580 26.815 -12.114 727 HB2 PRO 108 1HB PRO 108 -10.707 29.384 -12.015 728 HB3 PRO 108 2HB PRO 108 -12.148 28.826 -11.158 729 HG2 PRO 108 1HG PRO 108 -9.376 29.263 -10.116 730 HG3 PRO 108 2HG PRO 108 -10.930 29.694 -9.378 731 HD2 PRO 108 1HD PRO 108 -9.523 27.503 -8.637 732 HD3 PRO 108 2HD PRO 108 -11.297 27.555 -8.601 733 H SER 109 H SER 109 -10.708 27.095 -14.144 734 HA SER 109 HA SER 109 -7.931 27.767 -14.514 735 HB2 SER 109 1HB SER 109 -7.233 25.683 -15.518 736 HB3 SER 109 2HB SER 109 -7.863 25.337 -13.908 737 HG SER 109 HG SER 109 -8.622 24.243 -16.147 738 H SER 110 H SER 110 -7.367 28.070 -16.737 739 HA SER 110 HA SER 110 -9.388 29.235 -18.281 740 HB2 SER 110 1HB SER 110 -7.664 29.211 -20.122 741 HB3 SER 110 2HB SER 110 -7.113 29.928 -18.608 742 HG SER 110 HG SER 110 -6.688 27.196 -18.983 743 H GLY 111 H GLY 111 -8.302 25.960 -18.054 744 HA2 GLY 111 1HA GLY 111 -9.004 24.028 -19.075 745 HA3 GLY 111 2HA GLY 111 -10.494 24.894 -19.418 Start of MODEL 17 1 H1 GLY 1 H GLY 1 25.867 -32.007 9.138 2 HA2 GLY 1 1HA GLY 1 27.226 -33.019 6.854 3 HA3 GLY 1 2HA GLY 1 25.595 -33.438 7.358 4 H SER 2 H SER 2 24.129 -33.023 5.860 5 HA SER 2 HA SER 2 24.526 -30.671 4.127 6 HB2 SER 2 1HB SER 2 23.361 -31.897 2.345 7 HB3 SER 2 2HB SER 2 24.789 -32.780 2.885 8 HG SER 2 HG SER 2 22.996 -33.735 4.397 9 H SER 3 H SER 3 23.097 -29.128 4.512 10 HA SER 3 HA SER 3 20.332 -29.886 5.166 11 HB2 SER 3 1HB SER 3 20.185 -28.166 6.852 12 HB3 SER 3 2HB SER 3 21.584 -29.175 7.222 13 HG SER 3 HG SER 3 21.702 -26.714 5.813 14 H GLY 4 H GLY 4 18.764 -28.126 4.771 15 HA2 GLY 4 1HA GLY 4 19.058 -25.739 3.574 16 HA3 GLY 4 2HA GLY 4 19.375 -26.842 2.243 17 H SER 5 H SER 5 17.379 -25.297 1.713 18 HA SER 5 HA SER 5 15.069 -27.046 1.826 19 HB2 SER 5 1HB SER 5 15.098 -24.303 3.077 20 HB3 SER 5 2HB SER 5 13.604 -25.052 2.517 21 HG SER 5 HG SER 5 15.387 -26.019 4.499 22 H SER 6 H SER 6 13.791 -26.870 0.052 23 HA SER 6 HA SER 6 14.631 -24.905 -1.964 24 HB2 SER 6 1HB SER 6 13.366 -27.630 -2.157 25 HB3 SER 6 2HB SER 6 13.316 -26.506 -3.514 26 HG SER 6 HG SER 6 15.798 -26.799 -2.362 27 H GLY 7 H GLY 7 12.750 -24.397 -3.569 28 HA2 GLY 7 1HA GLY 7 10.583 -23.639 -3.944 29 HA3 GLY 7 2HA GLY 7 10.140 -24.195 -2.337 30 H ALA 8 H ALA 8 10.060 -21.552 -4.050 31 HA ALA 8 HA ALA 8 10.861 -19.809 -1.812 32 HB1 ALA 8 1HB ALA 8 10.727 -18.552 -4.458 33 HB2 ALA 8 2HB ALA 8 11.928 -18.383 -3.177 34 HB3 ALA 8 3HB ALA 8 11.999 -19.759 -4.277 35 H GLY 9 H GLY 9 9.537 -17.998 -1.378 36 HA2 GLY 9 1HA GLY 9 7.611 -16.628 -1.940 37 HA3 GLY 9 2HA GLY 9 6.894 -18.047 -2.691 38 H ASP 10 H ASP 10 7.508 -16.373 0.289 39 HA ASP 10 HA ASP 10 5.595 -18.165 1.624 40 HB2 ASP 10 1HB ASP 10 8.054 -16.967 2.919 41 HB3 ASP 10 2HB ASP 10 6.865 -18.006 3.700 42 HA PRO 11 HA PRO 11 3.870 -13.969 1.930 43 HB2 PRO 11 1HB PRO 11 1.309 -14.824 2.215 44 HB3 PRO 11 2HB PRO 11 2.103 -14.676 0.642 45 HG2 PRO 11 1HG PRO 11 1.679 -17.113 2.328 46 HG3 PRO 11 2HG PRO 11 1.487 -16.917 0.576 47 HD2 PRO 11 1HD PRO 11 3.680 -18.056 1.683 48 HD3 PRO 11 2HD PRO 11 3.749 -17.115 0.180 49 H GLY 12 H GLY 12 3.116 -16.789 3.954 50 HA2 GLY 12 1HA GLY 12 1.923 -15.561 6.116 51 HA3 GLY 12 2HA GLY 12 2.939 -16.990 6.236 52 H LEU 13 H LEU 13 5.305 -15.561 5.223 53 HA LEU 13 HA LEU 13 6.048 -14.294 7.747 54 HB2 LEU 13 1HB LEU 13 7.838 -14.974 5.427 55 HB3 LEU 13 2HB LEU 13 8.317 -14.604 7.082 56 HG LEU 13 HG LEU 13 6.904 -17.091 6.123 57 HD11 LEU 13 1HD1 LEU 13 9.708 -16.420 6.868 58 HD12 LEU 13 2HD1 LEU 13 9.099 -17.444 5.569 59 HD13 LEU 13 3HD1 LEU 13 9.085 -18.029 7.232 60 HD21 LEU 13 1HD2 LEU 13 6.789 -17.842 8.331 61 HD22 LEU 13 2HD2 LEU 13 6.251 -16.165 8.424 62 HD23 LEU 13 3HD2 LEU 13 7.891 -16.593 8.912 63 H VAL 14 H VAL 14 4.398 -13.002 5.601 64 HA VAL 14 HA VAL 14 6.093 -10.619 5.238 65 HB VAL 14 HB VAL 14 4.067 -11.725 3.290 66 HG11 VAL 14 1HG1 VAL 14 5.475 -9.082 3.419 67 HG12 VAL 14 2HG1 VAL 14 4.952 -9.764 1.878 68 HG13 VAL 14 3HG1 VAL 14 3.767 -9.419 3.138 69 HG21 VAL 14 1HG2 VAL 14 6.188 -11.563 1.800 70 HG22 VAL 14 2HG2 VAL 14 7.054 -11.564 3.336 71 HG23 VAL 14 3HG2 VAL 14 6.013 -12.922 2.910 72 H SER 15 H SER 15 5.283 -8.793 6.044 73 HA SER 15 HA SER 15 2.394 -8.490 6.352 74 HB2 SER 15 1HB SER 15 2.715 -7.667 8.702 75 HB3 SER 15 2HB SER 15 3.030 -9.390 8.497 76 HG SER 15 HG SER 15 4.679 -7.478 9.390 77 H ALA 16 H ALA 16 1.776 -6.252 6.901 78 HA ALA 16 HA ALA 16 3.801 -4.289 6.050 79 HB1 ALA 16 1HB ALA 16 1.153 -4.854 4.900 80 HB2 ALA 16 2HB ALA 16 1.522 -3.147 5.152 81 HB3 ALA 16 3HB ALA 16 2.588 -4.143 4.160 82 H TYR 17 H TYR 17 3.731 -2.281 7.031 83 HA TYR 17 HA TYR 17 1.631 -1.700 8.956 84 HB2 TYR 17 1HB TYR 17 3.391 -1.221 10.731 85 HB3 TYR 17 2HB TYR 17 3.061 -2.918 10.402 86 HD1 TYR 17 1HD TYR 17 5.406 -0.175 9.459 87 HD2 TYR 17 2HD TYR 17 4.825 -4.361 9.950 88 HE1 TYR 17 1HE TYR 17 7.799 -0.550 9.034 89 HE2 TYR 17 2HE TYR 17 7.217 -4.748 9.528 90 HH TYR 17 HH TYR 17 9.503 -2.569 9.765 91 H GLY 18 H GLY 18 1.486 0.484 9.517 92 HA2 GLY 18 1HA GLY 18 3.137 2.565 9.328 93 HA3 GLY 18 2HA GLY 18 2.806 2.267 7.628 94 HA PRO 19 HA PRO 19 -0.516 4.946 9.742 95 HB2 PRO 19 1HB PRO 19 0.210 7.354 8.721 96 HB3 PRO 19 2HB PRO 19 0.815 6.744 10.266 97 HG2 PRO 19 1HG PRO 19 2.128 6.723 7.576 98 HG3 PRO 19 2HG PRO 19 2.827 7.111 9.159 99 HD2 PRO 19 1HD PRO 19 3.170 4.705 7.964 100 HD3 PRO 19 2HD PRO 19 3.086 4.892 9.728 101 H GLY 20 H GLY 20 0.867 4.590 6.573 102 HA2 GLY 20 1HA GLY 20 -1.259 5.850 5.132 103 HA3 GLY 20 2HA GLY 20 -0.020 4.804 4.455 104 H LEU 21 H LEU 21 -0.527 2.509 6.030 105 HA LEU 21 HA LEU 21 -2.629 1.343 4.527 106 HB2 LEU 21 1HB LEU 21 -1.324 0.252 7.013 107 HB3 LEU 21 2HB LEU 21 -2.193 -0.662 5.783 108 HG LEU 21 HG LEU 21 0.232 0.861 4.966 109 HD11 LEU 21 1HD1 LEU 21 1.091 -0.185 6.910 110 HD12 LEU 21 2HD1 LEU 21 1.585 -1.181 5.541 111 HD13 LEU 21 3HD1 LEU 21 0.240 -1.689 6.562 112 HD21 LEU 21 1HD2 LEU 21 -0.057 -0.313 3.107 113 HD22 LEU 21 2HD2 LEU 21 -1.539 -0.978 3.795 114 HD23 LEU 21 3HD2 LEU 21 -0.008 -1.829 4.008 115 H GLU 22 H GLU 22 -2.355 2.398 7.896 116 HA GLU 22 HA GLU 22 -5.006 1.548 8.583 117 HB2 GLU 22 1HB GLU 22 -2.920 3.218 9.965 118 HB3 GLU 22 2HB GLU 22 -4.536 3.041 10.633 119 HG2 GLU 22 1HG GLU 22 -2.922 0.632 9.914 120 HG3 GLU 22 2HG GLU 22 -2.656 1.474 11.439 121 H GLY 23 H GLY 23 -3.587 4.394 7.222 122 HA2 GLY 23 1HA GLY 23 -5.110 5.853 5.980 123 HA3 GLY 23 2HA GLY 23 -6.234 5.700 7.322 124 H GLY 24 H GLY 24 -5.597 8.186 6.418 125 HA2 GLY 24 1HA GLY 24 -4.379 9.332 8.782 126 HA3 GLY 24 2HA GLY 24 -3.480 9.604 7.296 127 H THR 25 H THR 25 -3.972 11.355 6.153 128 HA THR 25 HA THR 25 -6.631 12.567 6.521 129 HB THR 25 HB THR 25 -3.960 13.974 6.499 130 HG1 THR 25 1HG THR 25 -5.253 13.072 8.472 131 HG21 THR 25 1HG2 THR 25 -5.283 16.078 6.610 132 HG22 THR 25 2HG2 THR 25 -6.734 15.142 6.251 133 HG23 THR 25 3HG2 THR 25 -5.432 15.240 5.066 134 H THR 26 H THR 26 -7.271 14.024 4.762 135 HA THR 26 HA THR 26 -6.747 12.834 2.216 136 HB THR 26 HB THR 26 -8.189 14.806 1.391 137 HG1 THR 26 1HG THR 26 -7.857 16.093 3.300 138 HG21 THR 26 1HG2 THR 26 -9.679 13.148 1.432 139 HG22 THR 26 2HG2 THR 26 -10.083 13.610 3.085 140 HG23 THR 26 3HG2 THR 26 -8.853 12.382 2.788 141 H GLY 27 H GLY 27 -5.752 13.742 0.409 142 HA2 GLY 27 1HA GLY 27 -4.084 14.890 -0.675 143 HA3 GLY 27 2HA GLY 27 -4.733 16.304 0.141 144 H VAL 28 H VAL 28 -3.337 13.543 1.799 145 HA VAL 28 HA VAL 28 -0.987 15.184 2.475 146 HB VAL 28 HB VAL 28 -2.651 13.518 4.364 147 HG11 VAL 28 1HG1 VAL 28 -0.633 14.864 5.777 148 HG12 VAL 28 2HG1 VAL 28 -0.811 13.124 5.545 149 HG13 VAL 28 3HG1 VAL 28 0.164 14.070 4.420 150 HG21 VAL 28 1HG2 VAL 28 -3.051 16.074 3.663 151 HG22 VAL 28 2HG2 VAL 28 -3.391 15.453 5.279 152 HG23 VAL 28 3HG2 VAL 28 -1.881 16.308 4.962 153 H SER 29 H SER 29 0.820 14.213 1.862 154 HA SER 29 HA SER 29 1.136 11.789 0.701 155 HB2 SER 29 1HB SER 29 3.515 11.894 1.297 156 HB3 SER 29 2HB SER 29 2.919 13.486 0.829 157 HG SER 29 HG SER 29 4.061 12.749 3.123 158 H SER 30 H SER 30 0.701 9.791 1.324 159 HA SER 30 HA SER 30 1.259 9.019 4.107 160 HB2 SER 30 1HB SER 30 -1.158 8.089 2.542 161 HB3 SER 30 2HB SER 30 -0.786 7.745 4.231 162 HG SER 30 HG SER 30 -1.345 9.748 4.785 163 H GLU 31 H GLU 31 2.640 7.387 4.196 164 HA GLU 31 HA GLU 31 2.638 5.409 2.016 165 HB2 GLU 31 1HB GLU 31 5.035 5.311 2.032 166 HB3 GLU 31 2HB GLU 31 4.561 6.993 1.839 167 HG2 GLU 31 1HG GLU 31 5.526 5.680 4.367 168 HG3 GLU 31 2HG GLU 31 6.413 6.828 3.366 169 H PHE 32 H PHE 32 4.103 3.458 2.765 170 HA PHE 32 HA PHE 32 3.914 2.870 5.588 171 HB2 PHE 32 1HB PHE 32 2.580 0.771 5.170 172 HB3 PHE 32 2HB PHE 32 1.676 2.271 4.997 173 HD1 PHE 32 1HD PHE 32 3.098 -0.605 3.252 174 HD2 PHE 32 2HD PHE 32 0.890 3.010 2.836 175 HE1 PHE 32 1HE PHE 32 2.409 -1.290 0.991 176 HE2 PHE 32 2HE PHE 32 0.196 2.330 0.576 177 HZ PHE 32 HZ PHE 32 0.955 0.178 -0.349 178 H ILE 33 H ILE 33 4.871 0.754 6.119 179 HA ILE 33 HA ILE 33 6.923 0.023 4.138 180 HB ILE 33 HB ILE 33 6.979 -0.116 7.150 181 HG12 ILE 33 1HG1 ILE 33 8.607 1.406 5.107 182 HG13 ILE 33 2HG1 ILE 33 7.474 2.084 6.270 183 HG21 ILE 33 1HG2 ILE 33 8.075 -2.079 6.581 184 HG22 ILE 33 2HG2 ILE 33 8.752 -1.391 5.106 185 HG23 ILE 33 3HG2 ILE 33 9.393 -0.911 6.678 186 HD11 ILE 33 1HD1 ILE 33 9.532 2.524 7.217 187 HD12 ILE 33 2HD1 ILE 33 9.034 1.045 8.040 188 HD13 ILE 33 3HD1 ILE 33 10.205 0.970 6.724 189 H VAL 34 H VAL 34 7.317 -2.114 3.664 190 HA VAL 34 HA VAL 34 5.384 -4.055 4.756 191 HB VAL 34 HB VAL 34 6.578 -3.999 1.980 192 HG11 VAL 34 1HG1 VAL 34 5.844 -6.084 1.637 193 HG12 VAL 34 2HG1 VAL 34 5.783 -6.209 3.397 194 HG13 VAL 34 3HG1 VAL 34 4.329 -5.787 2.490 195 HG21 VAL 34 1HG2 VAL 34 3.996 -3.088 3.124 196 HG22 VAL 34 2HG2 VAL 34 4.945 -2.419 1.796 197 HG23 VAL 34 3HG2 VAL 34 3.964 -3.862 1.539 198 H ASN 35 H ASN 35 6.464 -5.270 6.179 199 HA ASN 35 HA ASN 35 9.254 -5.814 5.997 200 HB2 ASN 35 1HB ASN 35 8.514 -5.847 8.191 201 HB3 ASN 35 2HB ASN 35 7.026 -6.698 7.787 202 HD21 ASN 35 1HD2 ASN 35 10.403 -7.002 8.499 203 HD22 ASN 35 2HD2 ASN 35 10.413 -8.715 8.721 204 H THR 36 H THR 36 9.865 -6.927 4.213 205 HA THR 36 HA THR 36 8.641 -9.580 3.814 206 HB THR 36 HB THR 36 9.295 -9.400 1.422 207 HG1 THR 36 1HG THR 36 10.746 -7.864 1.117 208 HG21 THR 36 1HG2 THR 36 7.489 -7.179 2.386 209 HG22 THR 36 2HG2 THR 36 7.009 -8.858 2.141 210 HG23 THR 36 3HG2 THR 36 7.507 -7.873 0.766 211 H LEU 37 H LEU 37 11.029 -8.610 5.403 212 HA LEU 37 HA LEU 37 13.330 -9.664 4.052 213 HB2 LEU 37 1HB LEU 37 12.990 -9.070 6.985 214 HB3 LEU 37 2HB LEU 37 14.508 -9.251 6.109 215 HG LEU 37 HG LEU 37 12.556 -7.055 5.474 216 HD11 LEU 37 1HD1 LEU 37 13.863 -5.589 6.912 217 HD12 LEU 37 2HD1 LEU 37 14.838 -6.959 7.442 218 HD13 LEU 37 3HD1 LEU 37 13.122 -6.889 7.845 219 HD21 LEU 37 1HD2 LEU 37 14.717 -5.981 4.715 220 HD22 LEU 37 2HD2 LEU 37 14.150 -7.350 3.758 221 HD23 LEU 37 3HD2 LEU 37 15.466 -7.565 4.913 222 H ASN 38 H ASN 38 11.123 -10.802 6.568 223 HA ASN 38 HA ASN 38 12.474 -13.154 7.255 224 HB2 ASN 38 1HB ASN 38 9.582 -12.334 7.375 225 HB3 ASN 38 2HB ASN 38 10.086 -13.949 7.863 226 HD21 ASN 38 1HD2 ASN 38 10.161 -10.573 8.612 227 HD22 ASN 38 2HD2 ASN 38 10.802 -10.729 10.209 228 H ALA 39 H ALA 39 10.149 -12.478 4.688 229 HA ALA 39 HA ALA 39 9.707 -15.102 3.819 230 HB1 ALA 39 1HB ALA 39 8.998 -12.505 2.974 231 HB2 ALA 39 2HB ALA 39 9.695 -13.331 1.580 232 HB3 ALA 39 3HB ALA 39 8.330 -14.047 2.437 233 H GLY 40 H GLY 40 12.083 -12.699 2.685 234 HA2 GLY 40 1HA GLY 40 14.356 -13.446 2.233 235 HA3 GLY 40 2HA GLY 40 13.676 -14.949 1.628 236 H SER 41 H SER 41 12.403 -14.839 -0.363 237 HA SER 41 HA SER 41 12.885 -12.492 -2.030 238 HB2 SER 41 1HB SER 41 13.969 -13.679 -3.784 239 HB3 SER 41 2HB SER 41 14.807 -14.143 -2.303 240 HG SER 41 HG SER 41 13.846 -15.777 -4.015 241 H GLY 42 H GLY 42 11.347 -12.163 -3.585 242 HA2 GLY 42 1HA GLY 42 9.672 -14.010 -4.772 243 HA3 GLY 42 2HA GLY 42 8.871 -13.542 -3.280 244 H ALA 43 H ALA 43 7.375 -12.963 -5.266 245 HA ALA 43 HA ALA 43 7.981 -10.258 -6.221 246 HB1 ALA 43 1HB ALA 43 6.897 -10.790 -8.092 247 HB2 ALA 43 2HB ALA 43 6.903 -12.453 -7.504 248 HB3 ALA 43 3HB ALA 43 5.509 -11.416 -7.203 249 H LEU 44 H LEU 44 6.759 -8.503 -5.705 250 HA LEU 44 HA LEU 44 4.635 -8.925 -3.708 251 HB2 LEU 44 1HB LEU 44 6.438 -7.785 -2.681 252 HB3 LEU 44 2HB LEU 44 6.620 -6.694 -4.053 253 HG LEU 44 HG LEU 44 4.254 -5.865 -3.403 254 HD11 LEU 44 1HD1 LEU 44 3.576 -7.461 -1.816 255 HD12 LEU 44 2HD1 LEU 44 3.964 -6.014 -0.885 256 HD13 LEU 44 3HD1 LEU 44 5.103 -7.359 -0.939 257 HD21 LEU 44 1HD2 LEU 44 6.638 -5.270 -1.652 258 HD22 LEU 44 2HD2 LEU 44 5.221 -4.242 -1.864 259 HD23 LEU 44 3HD2 LEU 44 6.305 -4.542 -3.224 260 H SER 45 H SER 45 2.717 -7.798 -3.892 261 HA SER 45 HA SER 45 2.357 -6.177 -6.320 262 HB2 SER 45 1HB SER 45 0.803 -8.574 -5.429 263 HB3 SER 45 2HB SER 45 -0.041 -7.280 -6.279 264 HG SER 45 HG SER 45 0.841 -8.967 -7.647 265 H VAL 46 H VAL 46 2.028 -4.197 -5.520 266 HA VAL 46 HA VAL 46 0.164 -3.893 -3.260 267 HB VAL 46 HB VAL 46 2.363 -2.053 -4.207 268 HG11 VAL 46 1HG1 VAL 46 -0.035 -1.371 -2.911 269 HG12 VAL 46 2HG1 VAL 46 1.229 -1.316 -1.681 270 HG13 VAL 46 3HG1 VAL 46 1.388 -0.359 -3.154 271 HG21 VAL 46 1HG2 VAL 46 3.518 -2.611 -2.246 272 HG22 VAL 46 2HG2 VAL 46 2.093 -3.343 -1.508 273 HG23 VAL 46 3HG2 VAL 46 2.905 -4.151 -2.849 274 H THR 47 H THR 47 -1.667 -2.757 -3.515 275 HA THR 47 HA THR 47 -1.976 -0.901 -5.725 276 HB THR 47 HB THR 47 -4.062 -1.977 -6.535 277 HG1 THR 47 1HG THR 47 -3.198 -4.100 -4.838 278 HG21 THR 47 1HG2 THR 47 -1.850 -2.332 -7.645 279 HG22 THR 47 2HG2 THR 47 -2.998 -3.649 -7.893 280 HG23 THR 47 3HG2 THR 47 -1.687 -3.829 -6.727 281 H ILE 48 H ILE 48 -4.090 0.235 -5.632 282 HA ILE 48 HA ILE 48 -5.291 0.202 -2.950 283 HB ILE 48 HB ILE 48 -4.383 2.667 -4.438 284 HG12 ILE 48 1HG1 ILE 48 -3.633 1.908 -1.633 285 HG13 ILE 48 2HG1 ILE 48 -2.772 1.203 -2.997 286 HG21 ILE 48 1HG2 ILE 48 -6.334 3.433 -3.514 287 HG22 ILE 48 2HG2 ILE 48 -6.277 2.290 -2.174 288 HG23 ILE 48 3HG2 ILE 48 -5.223 3.703 -2.172 289 HD11 ILE 48 1HD1 ILE 48 -1.741 3.150 -3.524 290 HD12 ILE 48 2HD1 ILE 48 -3.078 4.146 -2.951 291 HD13 ILE 48 3HD1 ILE 48 -1.964 3.416 -1.796 292 H ASP 49 H ASP 49 -7.453 0.838 -2.839 293 HA ASP 49 HA ASP 49 -8.816 1.519 -5.331 294 HB2 ASP 49 1HB ASP 49 -8.748 -1.067 -4.756 295 HB3 ASP 49 2HB ASP 49 -10.058 -0.624 -3.665 296 H GLY 50 H GLY 50 -9.814 3.358 -4.828 297 HA2 GLY 50 1HA GLY 50 -11.511 3.396 -2.431 298 HA3 GLY 50 2HA GLY 50 -10.343 4.689 -2.657 299 HA PRO 51 HA PRO 51 -14.364 5.987 -4.575 300 HB2 PRO 51 1HB PRO 51 -14.379 8.457 -3.447 301 HB3 PRO 51 2HB PRO 51 -15.043 7.030 -2.644 302 HG2 PRO 51 1HG PRO 51 -12.383 8.350 -2.266 303 HG3 PRO 51 2HG PRO 51 -13.500 7.714 -1.044 304 HD2 PRO 51 1HD PRO 51 -11.311 6.350 -1.866 305 HD3 PRO 51 2HD PRO 51 -12.806 5.539 -1.359 306 H SER 52 H SER 52 -11.112 6.957 -4.617 307 HA SER 52 HA SER 52 -11.438 8.187 -7.209 308 HB2 SER 52 1HB SER 52 -11.710 9.982 -5.309 309 HB3 SER 52 2HB SER 52 -9.954 9.858 -5.211 310 HG SER 52 HG SER 52 -11.041 10.131 -7.751 311 H LYS 53 H LYS 53 -9.570 8.153 -8.433 312 HA LYS 53 HA LYS 53 -7.661 6.206 -7.853 313 HB2 LYS 53 1HB LYS 53 -8.123 6.928 -10.130 314 HB3 LYS 53 2HB LYS 53 -7.500 8.534 -9.776 315 HG2 LYS 53 1HG LYS 53 -5.767 7.494 -10.923 316 HG3 LYS 53 2HG LYS 53 -5.296 7.355 -9.228 317 HD2 LYS 53 1HD LYS 53 -6.067 5.070 -9.155 318 HD3 LYS 53 2HD LYS 53 -6.709 5.198 -10.795 319 HE2 LYS 53 1HE LYS 53 -4.649 4.060 -10.986 320 HE3 LYS 53 2HE LYS 53 -4.348 5.706 -11.540 321 HZ1 LYS 53 1HZ LYS 53 -3.876 5.610 -8.785 322 HZ2 LYS 53 2HZ LYS 53 -2.762 5.882 -10.028 323 HZ3 LYS 53 3HZ LYS 53 -3.058 4.307 -9.488 324 H VAL 54 H VAL 54 -5.748 6.201 -6.824 325 HA VAL 54 HA VAL 54 -4.754 8.776 -5.785 326 HB VAL 54 HB VAL 54 -3.824 7.520 -3.870 327 HG11 VAL 54 1HG1 VAL 54 -6.295 8.485 -4.135 328 HG12 VAL 54 2HG1 VAL 54 -6.695 6.793 -3.831 329 HG13 VAL 54 3HG1 VAL 54 -5.736 7.698 -2.659 330 HG21 VAL 54 1HG2 VAL 54 -5.269 5.213 -5.157 331 HG22 VAL 54 2HG2 VAL 54 -3.553 5.334 -4.767 332 HG23 VAL 54 3HG2 VAL 54 -4.745 5.212 -3.473 333 H GLN 55 H GLN 55 -2.765 9.345 -6.372 334 HA GLN 55 HA GLN 55 -1.206 7.640 -8.062 335 HB2 GLN 55 1HB GLN 55 -1.441 10.277 -7.982 336 HB3 GLN 55 2HB GLN 55 -0.075 10.138 -6.885 337 HG2 GLN 55 1HG GLN 55 0.002 8.768 -9.533 338 HG3 GLN 55 2HG GLN 55 0.323 10.497 -9.422 339 HE21 GLN 55 1HE2 GLN 55 2.310 9.083 -10.375 340 HE22 GLN 55 2HE2 GLN 55 3.567 8.853 -9.213 341 H LEU 56 H LEU 56 -0.001 6.039 -7.303 342 HA LEU 56 HA LEU 56 1.352 6.400 -4.711 343 HB2 LEU 56 1HB LEU 56 1.129 4.145 -4.264 344 HB3 LEU 56 2HB LEU 56 -0.398 4.542 -5.050 345 HG LEU 56 HG LEU 56 1.804 3.476 -6.741 346 HD11 LEU 56 1HD1 LEU 56 0.161 1.355 -5.664 347 HD12 LEU 56 2HD1 LEU 56 1.115 2.143 -4.408 348 HD13 LEU 56 3HD1 LEU 56 1.915 1.456 -5.822 349 HD21 LEU 56 1HD2 LEU 56 -1.146 2.874 -6.708 350 HD22 LEU 56 2HD2 LEU 56 0.009 2.569 -8.006 351 HD23 LEU 56 3HD2 LEU 56 -0.437 4.225 -7.593 352 H ASP 57 H ASP 57 3.509 5.756 -4.498 353 HA ASP 57 HA ASP 57 4.930 5.151 -7.001 354 HB2 ASP 57 1HB ASP 57 5.037 7.618 -6.044 355 HB3 ASP 57 2HB ASP 57 6.240 6.907 -4.972 356 H CYS 58 H CYS 58 6.130 3.382 -6.842 357 HA CYS 58 HA CYS 58 6.533 2.117 -4.288 358 HB2 CYS 58 1HB CYS 58 5.987 0.871 -6.400 359 HB3 CYS 58 2HB CYS 58 7.600 1.262 -6.983 360 HG CYS 58 HG CYS 58 7.776 -0.123 -3.993 361 H ARG 59 H ARG 59 8.399 1.901 -3.152 362 HA ARG 59 HA ARG 59 10.856 3.037 -4.285 363 HB2 ARG 59 1HB ARG 59 9.425 3.896 -1.811 364 HB3 ARG 59 2HB ARG 59 11.183 3.902 -1.802 365 HG2 ARG 59 1HG ARG 59 9.798 5.202 -4.082 366 HG3 ARG 59 2HG ARG 59 9.783 6.018 -2.518 367 HD2 ARG 59 1HD ARG 59 12.109 6.214 -2.465 368 HD3 ARG 59 2HD ARG 59 12.332 4.968 -3.693 369 HE ARG 59 HE ARG 59 11.806 7.765 -4.130 370 HH11 ARG 59 1HH1 ARG 59 11.648 4.561 -5.482 371 HH12 ARG 59 2HH1 ARG 59 11.664 5.112 -7.124 372 HH21 ARG 59 1HH2 ARG 59 11.828 8.503 -6.288 373 HH22 ARG 59 2HH2 ARG 59 11.767 7.354 -7.582 374 H GLU 60 H GLU 60 12.695 2.648 -2.520 375 HA GLU 60 HA GLU 60 12.472 -0.183 -1.737 376 HB2 GLU 60 1HB GLU 60 14.790 -0.460 -2.181 377 HB3 GLU 60 2HB GLU 60 14.117 0.395 -3.562 378 HG2 GLU 60 1HG GLU 60 14.993 2.491 -2.734 379 HG3 GLU 60 2HG GLU 60 15.596 1.691 -1.283 380 H CYS 61 H CYS 61 12.909 -0.764 0.317 381 HA CYS 61 HA CYS 61 14.138 1.200 2.113 382 HB2 CYS 61 1HB CYS 61 12.414 0.619 3.850 383 HB3 CYS 61 2HB CYS 61 11.798 1.542 2.484 384 HG CYS 61 HG CYS 61 10.811 -1.373 3.635 385 HA PRO 62 HA PRO 62 16.398 -2.226 3.670 386 HB2 PRO 62 1HB PRO 62 16.836 -1.427 6.228 387 HB3 PRO 62 2HB PRO 62 17.656 -0.701 4.841 388 HG2 PRO 62 1HG PRO 62 15.278 0.289 6.365 389 HG3 PRO 62 2HG PRO 62 16.683 1.194 5.773 390 HD2 PRO 62 1HD PRO 62 14.300 1.199 4.488 391 HD3 PRO 62 2HD PRO 62 15.849 1.334 3.630 392 H GLU 63 H GLU 63 13.301 -1.465 4.782 393 HA GLU 63 HA GLU 63 13.203 -3.716 6.650 394 HB2 GLU 63 1HB GLU 63 11.156 -1.583 6.016 395 HB3 GLU 63 2HB GLU 63 10.938 -2.864 7.200 396 HG2 GLU 63 1HG GLU 63 13.203 -1.867 8.143 397 HG3 GLU 63 2HG GLU 63 12.607 -0.421 7.329 398 H GLY 64 H GLY 64 12.555 -2.982 3.416 399 HA2 GLY 64 1HA GLY 64 11.998 -5.331 2.366 400 HA3 GLY 64 2HA GLY 64 10.460 -5.009 3.155 401 H HIS 65 H HIS 65 9.134 -3.333 2.382 402 HA HIS 65 HA HIS 65 9.956 -2.017 -0.096 403 HB2 HIS 65 1HB HIS 65 7.474 -3.719 0.195 404 HB3 HIS 65 2HB HIS 65 7.761 -2.615 -1.147 405 HD1 HIS 65 1HD HIS 65 9.847 -3.222 -2.708 406 HD2 HIS 65 2HD HIS 65 8.622 -6.190 -0.070 407 HE1 HIS 65 1HE HIS 65 10.894 -5.347 -3.553 408 HE2 HIS 65 2HE HIS 65 10.069 -7.142 -1.991 409 H VAL 66 H VAL 66 9.124 -0.003 -0.360 410 HA VAL 66 HA VAL 66 7.036 0.876 1.518 411 HB VAL 66 HB VAL 66 9.314 1.594 2.287 412 HG11 VAL 66 1HG1 VAL 66 9.789 2.123 -0.340 413 HG12 VAL 66 2HG1 VAL 66 9.457 3.737 0.292 414 HG13 VAL 66 3HG1 VAL 66 10.740 2.757 1.002 415 HG21 VAL 66 1HG2 VAL 66 8.106 4.170 1.700 416 HG22 VAL 66 2HG2 VAL 66 6.924 2.979 2.243 417 HG23 VAL 66 3HG2 VAL 66 8.326 3.352 3.246 418 H VAL 67 H VAL 67 5.507 2.204 0.688 419 HA VAL 67 HA VAL 67 5.932 3.322 -1.994 420 HB VAL 67 HB VAL 67 3.464 1.804 -1.137 421 HG11 VAL 67 1HG1 VAL 67 3.306 2.246 -3.850 422 HG12 VAL 67 2HG1 VAL 67 2.419 3.126 -2.604 423 HG13 VAL 67 3HG1 VAL 67 3.936 3.772 -3.229 424 HG21 VAL 67 1HG2 VAL 67 4.240 0.003 -2.220 425 HG22 VAL 67 2HG2 VAL 67 4.892 0.963 -3.547 426 HG23 VAL 67 3HG2 VAL 67 5.821 0.768 -2.061 427 H THR 68 H THR 68 5.108 5.323 -2.303 428 HA THR 68 HA THR 68 3.645 6.517 -0.043 429 HB THR 68 HB THR 68 5.264 7.989 -2.126 430 HG1 THR 68 1HG THR 68 6.154 6.493 -0.140 431 HG21 THR 68 1HG2 THR 68 4.896 9.246 0.463 432 HG22 THR 68 2HG2 THR 68 3.357 8.903 -0.328 433 HG23 THR 68 3HG2 THR 68 4.574 9.878 -1.151 434 H TYR 69 H TYR 69 1.751 7.578 -0.380 435 HA TYR 69 HA TYR 69 0.843 8.064 -3.111 436 HB2 TYR 69 1HB TYR 69 -1.173 6.834 -2.906 437 HB3 TYR 69 2HB TYR 69 0.100 5.748 -2.361 438 HD1 TYR 69 1HD TYR 69 -2.534 8.065 -1.138 439 HD2 TYR 69 2HD TYR 69 0.010 4.779 -0.227 440 HE1 TYR 69 1HE TYR 69 -3.739 7.728 0.979 441 HE2 TYR 69 2HE TYR 69 -1.189 4.432 1.893 442 HH TYR 69 HH TYR 69 -2.667 5.341 3.342 443 H THR 70 H THR 70 -1.291 9.256 -3.099 444 HA THR 70 HA THR 70 -1.662 10.873 -0.680 445 HB THR 70 HB THR 70 -1.397 12.053 -3.452 446 HG1 THR 70 1HG THR 70 0.647 11.614 -2.720 447 HG21 THR 70 1HG2 THR 70 -2.949 13.050 -1.528 448 HG22 THR 70 2HG2 THR 70 -2.002 14.082 -2.600 449 HG23 THR 70 3HG2 THR 70 -1.404 13.704 -0.985 450 HA PRO 71 HA PRO 71 -5.857 9.766 -1.728 451 HB2 PRO 71 1HB PRO 71 -6.994 10.962 0.429 452 HB3 PRO 71 2HB PRO 71 -6.163 9.404 0.521 453 HG2 PRO 71 1HG PRO 71 -5.156 12.133 1.230 454 HG3 PRO 71 2HG PRO 71 -4.953 10.603 2.104 455 HD2 PRO 71 1HD PRO 71 -3.011 11.655 0.537 456 HD3 PRO 71 2HD PRO 71 -3.234 9.905 0.736 457 H MET 72 H MET 72 -7.529 10.791 -2.739 458 HA MET 72 HA MET 72 -7.235 13.688 -3.130 459 HB2 MET 72 1HB MET 72 -8.430 11.503 -4.812 460 HB3 MET 72 2HB MET 72 -8.849 13.188 -5.092 461 HG2 MET 72 1HG MET 72 -6.632 13.749 -5.658 462 HG3 MET 72 2HG MET 72 -6.010 12.219 -5.045 463 HE1 MET 72 1HE MET 72 -8.823 13.488 -7.401 464 HE2 MET 72 2HE MET 72 -7.370 14.099 -8.193 465 HE3 MET 72 3HE MET 72 -8.332 12.839 -8.967 466 H ALA 73 H ALA 73 -9.392 11.213 -1.991 467 HA ALA 73 HA ALA 73 -11.205 13.287 -1.009 468 HB1 ALA 73 1HB ALA 73 -11.980 11.015 -2.801 469 HB2 ALA 73 2HB ALA 73 -13.135 11.709 -1.663 470 HB3 ALA 73 3HB ALA 73 -12.412 12.722 -2.913 471 HA PRO 74 HA PRO 74 -11.114 10.901 2.682 472 HB2 PRO 74 1HB PRO 74 -13.474 11.655 3.791 473 HB3 PRO 74 2HB PRO 74 -12.065 12.719 3.716 474 HG2 PRO 74 1HG PRO 74 -14.472 12.635 1.938 475 HG3 PRO 74 2HG PRO 74 -13.631 14.041 2.616 476 HD2 PRO 74 1HD PRO 74 -13.261 13.212 0.065 477 HD3 PRO 74 2HD PRO 74 -11.972 13.977 1.017 478 H GLY 75 H GLY 75 -11.383 8.762 2.745 479 HA2 GLY 75 1HA GLY 75 -13.893 7.520 2.957 480 HA3 GLY 75 2HA GLY 75 -13.328 7.338 1.303 481 H ASN 76 H ASN 76 -13.334 5.043 1.730 482 HA ASN 76 HA ASN 76 -11.061 4.157 3.378 483 HB2 ASN 76 1HB ASN 76 -13.436 2.527 2.452 484 HB3 ASN 76 2HB ASN 76 -12.167 1.997 3.552 485 HD21 ASN 76 1HD2 ASN 76 -11.900 3.453 5.509 486 HD22 ASN 76 2HD2 ASN 76 -13.358 3.964 6.283 487 H TYR 77 H TYR 77 -9.310 3.817 2.182 488 HA TYR 77 HA TYR 77 -9.601 2.874 -0.573 489 HB2 TYR 77 1HB TYR 77 -7.232 4.004 0.926 490 HB3 TYR 77 2HB TYR 77 -7.157 3.418 -0.732 491 HD1 TYR 77 1HD TYR 77 -8.588 6.015 1.466 492 HD2 TYR 77 2HD TYR 77 -7.964 4.740 -2.545 493 HE1 TYR 77 1HE TYR 77 -9.287 8.231 0.660 494 HE2 TYR 77 2HE TYR 77 -8.660 6.953 -3.362 495 HH TYR 77 HH TYR 77 -10.234 9.212 -1.435 496 H LEU 78 H LEU 78 -9.695 0.732 -0.757 497 HA LEU 78 HA LEU 78 -8.560 -1.066 1.137 498 HB2 LEU 78 1HB LEU 78 -10.566 -1.363 -0.498 499 HB3 LEU 78 2HB LEU 78 -9.323 -1.881 -1.636 500 HG LEU 78 HG LEU 78 -10.305 -3.823 -0.644 501 HD11 LEU 78 1HD1 LEU 78 -7.819 -3.728 0.948 502 HD12 LEU 78 2HD1 LEU 78 -7.667 -3.408 -0.779 503 HD13 LEU 78 3HD1 LEU 78 -8.377 -4.923 -0.222 504 HD21 LEU 78 1HD2 LEU 78 -11.258 -2.840 1.347 505 HD22 LEU 78 2HD2 LEU 78 -9.650 -2.552 2.012 506 HD23 LEU 78 3HD2 LEU 78 -10.232 -4.203 1.792 507 H ILE 79 H ILE 79 -6.458 -1.435 1.333 508 HA ILE 79 HA ILE 79 -4.726 -1.194 -1.017 509 HB ILE 79 HB ILE 79 -4.057 -1.358 1.922 510 HG12 ILE 79 1HG1 ILE 79 -3.394 0.933 0.111 511 HG13 ILE 79 2HG1 ILE 79 -5.030 0.784 0.743 512 HG21 ILE 79 1HG2 ILE 79 -1.733 -0.690 0.975 513 HG22 ILE 79 2HG2 ILE 79 -2.224 -2.383 0.959 514 HG23 ILE 79 3HG2 ILE 79 -2.329 -1.420 -0.515 515 HD11 ILE 79 1HD1 ILE 79 -3.588 0.472 3.004 516 HD12 ILE 79 2HD1 ILE 79 -2.547 1.562 2.088 517 HD13 ILE 79 3HD1 ILE 79 -4.218 2.014 2.425 518 H ALA 80 H ALA 80 -4.791 -3.079 -2.121 519 HA ALA 80 HA ALA 80 -4.739 -5.625 -0.741 520 HB1 ALA 80 1HB ALA 80 -4.887 -6.606 -2.969 521 HB2 ALA 80 2HB ALA 80 -6.114 -5.359 -2.742 522 HB3 ALA 80 3HB ALA 80 -4.670 -5.012 -3.693 523 H ILE 81 H ILE 81 -2.956 -6.696 -0.212 524 HA ILE 81 HA ILE 81 -0.490 -6.185 -1.732 525 HB ILE 81 HB ILE 81 -0.611 -6.516 1.267 526 HG12 ILE 81 1HG1 ILE 81 0.192 -4.015 -0.202 527 HG13 ILE 81 2HG1 ILE 81 -1.487 -4.316 0.234 528 HG21 ILE 81 1HG2 ILE 81 1.497 -6.824 -0.622 529 HG22 ILE 81 2HG2 ILE 81 1.830 -5.407 0.373 530 HG23 ILE 81 3HG2 ILE 81 1.555 -6.974 1.134 531 HD11 ILE 81 1HD1 ILE 81 0.160 -4.753 2.518 532 HD12 ILE 81 2HD1 ILE 81 0.544 -3.184 1.809 533 HD13 ILE 81 3HD1 ILE 81 -1.116 -3.560 2.273 534 H LYS 82 H LYS 82 0.461 -7.972 -2.454 535 HA LYS 82 HA LYS 82 -0.081 -10.518 -1.081 536 HB2 LYS 82 1HB LYS 82 -0.059 -10.030 -4.064 537 HB3 LYS 82 2HB LYS 82 -0.118 -11.620 -3.316 538 HG2 LYS 82 1HG LYS 82 -2.248 -10.987 -2.232 539 HG3 LYS 82 2HG LYS 82 -2.197 -9.453 -3.103 540 HD2 LYS 82 1HD LYS 82 -2.224 -10.660 -5.232 541 HD3 LYS 82 2HD LYS 82 -2.265 -12.196 -4.363 542 HE2 LYS 82 1HE LYS 82 -4.349 -10.169 -3.737 543 HE3 LYS 82 2HE LYS 82 -4.468 -11.036 -5.267 544 HZ1 LYS 82 1HZ LYS 82 -4.643 -12.084 -2.525 545 HZ2 LYS 82 2HZ LYS 82 -4.120 -13.101 -3.771 546 HZ3 LYS 82 3HZ LYS 82 -5.649 -12.383 -3.852 547 H TYR 83 H TYR 83 1.519 -12.226 -1.633 548 HA TYR 83 HA TYR 83 4.050 -11.425 -2.728 549 HB2 TYR 83 1HB TYR 83 3.930 -10.550 -0.285 550 HB3 TYR 83 2HB TYR 83 4.134 -12.240 0.164 551 HD1 TYR 83 2HD TYR 83 5.731 -9.335 -1.421 552 HD2 TYR 83 1HD TYR 83 6.243 -13.364 -0.153 553 HE1 TYR 83 2HE TYR 83 8.165 -9.104 -1.689 554 HE2 TYR 83 1HE TYR 83 8.678 -13.144 -0.416 555 HH TYR 83 HH TYR 83 10.123 -10.220 -1.765 556 H GLY 84 H GLY 84 4.973 -13.148 -3.638 557 HA2 GLY 84 1HA GLY 84 5.061 -15.344 -4.387 558 HA3 GLY 84 2HA GLY 84 5.512 -15.608 -2.709 559 H GLY 85 H GLY 85 2.354 -14.615 -3.964 560 HA2 GLY 85 1HA GLY 85 1.179 -17.199 -3.825 561 HA3 GLY 85 2HA GLY 85 0.861 -16.302 -2.347 562 HA PRO 86 HA PRO 86 -1.843 -14.975 -6.133 563 HB2 PRO 86 1HB PRO 86 -3.780 -16.876 -6.175 564 HB3 PRO 86 2HB PRO 86 -2.311 -16.980 -7.153 565 HG2 PRO 86 1HG PRO 86 -2.949 -18.306 -4.546 566 HG3 PRO 86 2HG PRO 86 -2.162 -18.984 -5.983 567 HD2 PRO 86 1HD PRO 86 -0.771 -18.174 -3.806 568 HD3 PRO 86 2HD PRO 86 -0.117 -18.062 -5.453 569 H GLN 87 H GLN 87 -2.137 -15.829 -2.883 570 HA GLN 87 HA GLN 87 -4.746 -14.490 -2.642 571 HB2 GLN 87 1HB GLN 87 -3.361 -16.578 -1.012 572 HB3 GLN 87 2HB GLN 87 -4.501 -15.499 -0.219 573 HG2 GLN 87 1HG GLN 87 -5.351 -16.866 -2.716 574 HG3 GLN 87 2HG GLN 87 -5.255 -17.805 -1.227 575 HE21 GLN 87 1HE2 GLN 87 -6.234 -16.483 0.704 576 HE22 GLN 87 2HE2 GLN 87 -7.811 -15.849 0.400 577 H HIS 88 H HIS 88 -4.933 -13.371 -0.379 578 HA HIS 88 HA HIS 88 -2.951 -11.287 -0.367 579 HB2 HIS 88 1HB HIS 88 -5.434 -11.779 1.278 580 HB3 HIS 88 2HB HIS 88 -4.373 -10.398 1.543 581 HD1 HIS 88 1HD HIS 88 -4.764 -8.389 0.112 582 HD2 HIS 88 2HD HIS 88 -6.662 -11.777 -1.366 583 HE1 HIS 88 1HE HIS 88 -6.185 -7.584 -1.800 584 HE2 HIS 88 2HE HIS 88 -7.389 -9.637 -2.624 585 H ILE 89 H ILE 89 -1.426 -10.847 1.168 586 HA ILE 89 HA ILE 89 -0.383 -13.009 2.661 587 HB ILE 89 HB ILE 89 1.200 -11.385 3.596 588 HG12 ILE 89 1HG1 ILE 89 -0.015 -9.193 1.971 589 HG13 ILE 89 2HG1 ILE 89 -0.721 -9.559 3.541 590 HG21 ILE 89 1HG2 ILE 89 0.659 -11.243 0.643 591 HG22 ILE 89 2HG2 ILE 89 2.089 -10.527 1.385 592 HG23 ILE 89 3HG2 ILE 89 1.814 -12.266 1.496 593 HD11 ILE 89 1HD1 ILE 89 0.798 -7.893 4.025 594 HD12 ILE 89 2HD1 ILE 89 1.702 -9.359 4.408 595 HD13 ILE 89 3HD1 ILE 89 1.996 -8.512 2.889 596 H VAL 90 H VAL 90 -0.059 -13.106 4.975 597 HA VAL 90 HA VAL 90 -2.311 -13.084 6.500 598 HB VAL 90 HB VAL 90 -0.314 -14.164 7.298 599 HG11 VAL 90 1HG1 VAL 90 0.928 -11.726 6.630 600 HG12 VAL 90 2HG1 VAL 90 1.160 -11.957 8.364 601 HG13 VAL 90 3HG1 VAL 90 1.685 -13.202 7.230 602 HG21 VAL 90 1HG2 VAL 90 -0.284 -13.378 9.642 603 HG22 VAL 90 2HG2 VAL 90 -1.194 -11.949 9.149 604 HG23 VAL 90 3HG2 VAL 90 -1.918 -13.550 9.000 605 H GLY 91 H GLY 91 -3.681 -11.500 6.973 606 HA2 GLY 91 1HA GLY 91 -4.056 -9.541 8.376 607 HA3 GLY 91 2HA GLY 91 -2.558 -8.878 7.738 608 H SER 92 H SER 92 -3.011 -9.518 5.003 609 HA SER 92 HA SER 92 -4.670 -7.288 4.297 610 HB2 SER 92 1HB SER 92 -2.920 -9.204 2.815 611 HB3 SER 92 2HB SER 92 -4.119 -8.285 1.905 612 HG SER 92 HG SER 92 -2.505 -6.892 1.915 613 HA PRO 93 HA PRO 93 -5.479 -6.844 2.014 614 HB2 PRO 93 1HB PRO 93 -7.880 -5.610 1.720 615 HB3 PRO 93 2HB PRO 93 -7.289 -6.843 0.598 616 HG2 PRO 93 1HG PRO 93 -9.227 -7.115 2.864 617 HG3 PRO 93 2HG PRO 93 -9.309 -7.805 1.232 618 HD2 PRO 93 1HD PRO 93 -8.508 -9.242 3.384 619 HD3 PRO 93 2HD PRO 93 -7.868 -9.527 1.753 620 H PHE 94 H PHE 94 -5.503 -4.570 2.609 621 HA PHE 94 HA PHE 94 -6.087 -4.200 5.469 622 HB2 PHE 94 1HB PHE 94 -3.999 -2.987 3.667 623 HB3 PHE 94 2HB PHE 94 -4.403 -2.281 5.228 624 HD1 PHE 94 2HD PHE 94 -3.881 -3.460 7.299 625 HD2 PHE 94 1HD PHE 94 -2.771 -5.037 3.505 626 HE1 PHE 94 2HE PHE 94 -2.325 -5.012 8.403 627 HE2 PHE 94 1HE PHE 94 -1.213 -6.592 4.603 628 HZ PHE 94 HZ PHE 94 -0.987 -6.580 7.056 629 H LYS 95 H LYS 95 -7.104 -2.329 6.185 630 HA LYS 95 HA LYS 95 -8.532 -0.834 4.090 631 HB2 LYS 95 1HB LYS 95 -9.783 -2.245 5.866 632 HB3 LYS 95 2HB LYS 95 -9.370 -0.943 6.974 633 HG2 LYS 95 1HG LYS 95 -10.749 0.568 5.930 634 HG3 LYS 95 2HG LYS 95 -10.696 -0.287 4.387 635 HD2 LYS 95 1HD LYS 95 -11.972 -1.537 6.795 636 HD3 LYS 95 2HD LYS 95 -12.862 -0.387 5.794 637 HE2 LYS 95 1HE LYS 95 -12.893 -1.792 3.972 638 HE3 LYS 95 2HE LYS 95 -11.444 -2.658 4.482 639 HZ1 LYS 95 1HZ LYS 95 -13.017 -3.361 6.441 640 HZ2 LYS 95 2HZ LYS 95 -13.028 -4.195 4.969 641 HZ3 LYS 95 3HZ LYS 95 -14.227 -3.049 5.300 642 H ALA 96 H ALA 96 -8.157 1.275 3.865 643 HA ALA 96 HA ALA 96 -6.730 2.671 6.035 644 HB1 ALA 96 1HB ALA 96 -6.471 3.078 3.059 645 HB2 ALA 96 2HB ALA 96 -5.689 4.070 4.291 646 HB3 ALA 96 3HB ALA 96 -5.269 2.364 4.134 647 H LYS 97 H LYS 97 -8.203 3.891 7.045 648 HA LYS 97 HA LYS 97 -10.289 5.232 5.502 649 HB2 LYS 97 1HB LYS 97 -11.092 4.110 7.455 650 HB3 LYS 97 2HB LYS 97 -9.856 4.850 8.464 651 HG2 LYS 97 1HG LYS 97 -10.972 7.080 7.775 652 HG3 LYS 97 2HG LYS 97 -12.341 6.059 7.329 653 HD2 LYS 97 1HD LYS 97 -11.031 5.902 10.032 654 HD3 LYS 97 2HD LYS 97 -12.340 7.034 9.684 655 HE2 LYS 97 1HE LYS 97 -13.538 5.258 10.490 656 HE3 LYS 97 2HE LYS 97 -13.526 4.873 8.770 657 HZ1 LYS 97 1HZ LYS 97 -12.857 3.112 10.587 658 HZ2 LYS 97 2HZ LYS 97 -11.339 3.836 10.411 659 HZ3 LYS 97 3HZ LYS 97 -12.106 3.144 9.071 660 H VAL 98 H VAL 98 -9.582 7.065 4.586 661 HA VAL 98 HA VAL 98 -7.810 8.841 6.093 662 HB VAL 98 HB VAL 98 -8.693 8.966 3.206 663 HG11 VAL 98 1HG1 VAL 98 -7.373 10.836 2.901 664 HG12 VAL 98 2HG1 VAL 98 -8.066 11.139 4.495 665 HG13 VAL 98 3HG1 VAL 98 -6.418 10.528 4.351 666 HG21 VAL 98 1HG2 VAL 98 -6.312 8.365 2.766 667 HG22 VAL 98 2HG2 VAL 98 -6.120 8.066 4.494 668 HG23 VAL 98 3HG2 VAL 98 -7.244 7.089 3.549 669 H THR 99 H THR 99 -8.402 10.815 6.816 670 HA THR 99 HA THR 99 -11.195 11.632 6.340 671 HB THR 99 HB THR 99 -10.823 11.004 8.672 672 HG1 THR 99 1HG THR 99 -12.248 12.592 8.778 673 HG21 THR 99 1HG2 THR 99 -8.537 12.921 8.427 674 HG22 THR 99 2HG2 THR 99 -8.573 11.310 9.143 675 HG23 THR 99 3HG2 THR 99 -9.314 12.668 9.989 676 H GLY 100 H GLY 100 -11.590 13.992 6.515 677 HA2 GLY 100 1HA GLY 100 -10.464 16.214 6.552 678 HA3 GLY 100 2HA GLY 100 -9.281 15.508 5.461 679 HA PRO 101 HA PRO 101 -12.861 17.596 3.156 680 HB2 PRO 101 1HB PRO 101 -11.473 19.717 2.185 681 HB3 PRO 101 2HB PRO 101 -12.330 19.756 3.730 682 HG2 PRO 101 1HG PRO 101 -9.418 19.323 3.190 683 HG3 PRO 101 2HG PRO 101 -10.188 20.317 4.440 684 HD2 PRO 101 1HD PRO 101 -9.185 17.854 4.949 685 HD3 PRO 101 2HD PRO 101 -10.597 18.505 5.805 686 H ARG 102 H ARG 102 -13.193 16.973 1.106 687 HA ARG 102 HA ARG 102 -11.487 15.382 -0.333 688 HB2 ARG 102 1HB ARG 102 -14.019 16.076 -0.687 689 HB3 ARG 102 2HB ARG 102 -13.313 17.181 -1.858 690 HG2 ARG 102 1HG ARG 102 -12.133 15.134 -2.820 691 HG3 ARG 102 2HG ARG 102 -13.257 14.185 -1.845 692 HD2 ARG 102 1HD ARG 102 -14.200 16.324 -3.730 693 HD3 ARG 102 2HD ARG 102 -13.907 14.672 -4.270 694 HE ARG 102 HE ARG 102 -15.768 13.967 -3.080 695 HH11 ARG 102 1HH1 ARG 102 -15.098 17.326 -2.458 696 HH12 ARG 102 2HH1 ARG 102 -16.627 17.626 -1.700 697 HH21 ARG 102 1HH2 ARG 102 -17.784 14.348 -2.084 698 HH22 ARG 102 2HH2 ARG 102 -18.154 15.931 -1.487 699 H LEU 103 H LEU 103 -9.386 16.222 -0.334 700 HA LEU 103 HA LEU 103 -8.868 18.768 -1.619 701 HB2 LEU 103 1HB LEU 103 -7.191 16.712 -0.239 702 HB3 LEU 103 2HB LEU 103 -6.432 17.947 -1.241 703 HG LEU 103 HG LEU 103 -8.283 18.691 1.000 704 HD11 LEU 103 1HD1 LEU 103 -6.125 19.024 2.316 705 HD12 LEU 103 2HD1 LEU 103 -5.388 17.916 1.158 706 HD13 LEU 103 3HD1 LEU 103 -6.734 17.376 2.162 707 HD21 LEU 103 1HD2 LEU 103 -6.758 20.085 -0.958 708 HD22 LEU 103 2HD2 LEU 103 -6.092 20.445 0.635 709 HD23 LEU 103 3HD2 LEU 103 -7.800 20.740 0.305 710 H SER 104 H SER 104 -10.116 17.185 -3.417 711 HA SER 104 HA SER 104 -8.056 15.981 -5.109 712 HB2 SER 104 1HB SER 104 -9.884 15.030 -6.388 713 HB3 SER 104 2HB SER 104 -10.175 14.736 -4.673 714 HG SER 104 HG SER 104 -11.421 16.847 -4.893 715 H GLY 105 H GLY 105 -8.138 16.439 -7.463 716 HA2 GLY 105 1HA GLY 105 -8.444 17.869 -9.290 717 HA3 GLY 105 2HA GLY 105 -9.253 19.013 -8.230 718 H SER 106 H SER 106 -6.515 18.464 -10.008 719 HA SER 106 HA SER 106 -4.872 20.236 -8.330 720 HB2 SER 106 1HB SER 106 -4.192 18.130 -10.355 721 HB3 SER 106 2HB SER 106 -3.044 19.427 -10.022 722 HG SER 106 HG SER 106 -3.268 18.806 -7.760 723 H GLY 107 H GLY 107 -5.742 22.210 -8.955 724 HA2 GLY 107 1HA GLY 107 -4.974 23.052 -11.663 725 HA3 GLY 107 2HA GLY 107 -6.620 23.345 -11.121 726 HA PRO 108 HA PRO 108 -3.535 26.748 -9.804 727 HB2 PRO 108 1HB PRO 108 -4.099 28.597 -11.711 728 HB3 PRO 108 2HB PRO 108 -2.815 27.395 -11.888 729 HG2 PRO 108 1HG PRO 108 -5.595 27.376 -12.999 730 HG3 PRO 108 2HG PRO 108 -4.071 26.931 -13.789 731 HD2 PRO 108 1HD PRO 108 -5.790 25.088 -12.797 732 HD3 PRO 108 2HD PRO 108 -4.032 24.840 -12.818 733 H SER 109 H SER 109 -6.822 26.261 -10.401 734 HA SER 109 HA SER 109 -8.020 28.701 -9.890 735 HB2 SER 109 1HB SER 109 -9.260 26.669 -10.544 736 HB3 SER 109 2HB SER 109 -8.963 25.981 -8.948 737 HG SER 109 HG SER 109 -11.044 27.173 -9.401 738 H SER 110 H SER 110 -8.236 29.981 -8.165 739 HA SER 110 HA SER 110 -6.658 29.753 -5.906 740 HB2 SER 110 1HB SER 110 -7.865 31.822 -6.763 741 HB3 SER 110 2HB SER 110 -9.304 31.211 -5.946 742 HG SER 110 HG SER 110 -6.812 31.692 -4.676 743 H GLY 111 H GLY 111 -10.101 28.933 -6.269 744 HA2 GLY 111 1HA GLY 111 -10.201 26.654 -4.806 745 HA3 GLY 111 2HA GLY 111 -10.263 27.907 -3.575 Start of MODEL 18 1 H1 GLY 1 H GLY 1 16.531 -35.792 2.101 2 HA2 GLY 1 1HA GLY 1 17.657 -33.672 2.650 3 HA3 GLY 1 2HA GLY 1 16.934 -33.008 1.193 4 H SER 2 H SER 2 14.904 -32.172 1.265 5 HA SER 2 HA SER 2 13.596 -32.188 3.904 6 HB2 SER 2 1HB SER 2 12.520 -30.036 3.078 7 HB3 SER 2 2HB SER 2 14.255 -29.958 3.383 8 HG SER 2 HG SER 2 13.336 -30.610 0.814 9 H SER 3 H SER 3 11.926 -33.533 3.946 10 HA SER 3 HA SER 3 10.361 -33.968 1.508 11 HB2 SER 3 1HB SER 3 10.856 -35.548 3.989 12 HB3 SER 3 2HB SER 3 9.317 -35.777 3.159 13 HG SER 3 HG SER 3 10.753 -37.216 2.282 14 H GLY 4 H GLY 4 8.632 -32.723 1.252 15 HA2 GLY 4 1HA GLY 4 6.406 -32.655 2.823 16 HA3 GLY 4 2HA GLY 4 7.403 -31.359 3.468 17 H SER 5 H SER 5 5.857 -29.806 2.851 18 HA SER 5 HA SER 5 4.995 -29.535 0.141 19 HB2 SER 5 1HB SER 5 4.818 -27.740 2.560 20 HB3 SER 5 2HB SER 5 4.219 -27.243 0.978 21 HG SER 5 HG SER 5 2.593 -28.592 1.158 22 H SER 6 H SER 6 5.765 -28.261 -1.470 23 HA SER 6 HA SER 6 8.332 -26.914 -0.958 24 HB2 SER 6 1HB SER 6 8.878 -27.291 -3.292 25 HB3 SER 6 2HB SER 6 8.386 -28.821 -2.565 26 HG SER 6 HG SER 6 6.979 -28.907 -4.112 27 H GLY 7 H GLY 7 8.686 -24.837 -1.696 28 HA2 GLY 7 1HA GLY 7 7.290 -23.315 -3.469 29 HA3 GLY 7 2HA GLY 7 6.327 -23.216 -2.003 30 H ALA 8 H ALA 8 9.044 -22.038 -3.676 31 HA ALA 8 HA ALA 8 10.696 -21.083 -1.665 32 HB1 ALA 8 1HB ALA 8 11.773 -20.510 -3.524 33 HB2 ALA 8 2HB ALA 8 10.290 -20.560 -4.478 34 HB3 ALA 8 3HB ALA 8 10.727 -19.092 -3.604 35 H GLY 9 H GLY 9 10.881 -19.042 -0.636 36 HA2 GLY 9 1HA GLY 9 10.104 -17.181 0.463 37 HA3 GLY 9 2HA GLY 9 8.944 -16.994 -0.844 38 H ASP 10 H ASP 10 7.740 -16.208 1.171 39 HA ASP 10 HA ASP 10 5.728 -18.086 1.783 40 HB2 ASP 10 1HB ASP 10 7.924 -17.744 3.776 41 HB3 ASP 10 2HB ASP 10 6.274 -17.895 4.373 42 HA PRO 11 HA PRO 11 3.997 -13.996 2.232 43 HB2 PRO 11 1HB PRO 11 1.412 -14.819 2.346 44 HB3 PRO 11 2HB PRO 11 2.321 -14.715 0.834 45 HG2 PRO 11 1HG PRO 11 1.747 -17.108 2.538 46 HG3 PRO 11 2HG PRO 11 1.687 -16.951 0.772 47 HD2 PRO 11 1HD PRO 11 3.780 -18.085 2.064 48 HD3 PRO 11 2HD PRO 11 3.970 -17.179 0.548 49 H GLY 12 H GLY 12 3.262 -16.763 4.299 50 HA2 GLY 12 1HA GLY 12 1.884 -15.421 6.337 51 HA3 GLY 12 2HA GLY 12 2.794 -16.911 6.540 52 H LEU 13 H LEU 13 5.181 -15.248 5.459 53 HA LEU 13 HA LEU 13 5.902 -14.152 8.089 54 HB2 LEU 13 1HB LEU 13 7.779 -14.877 5.854 55 HB3 LEU 13 2HB LEU 13 8.182 -14.549 7.538 56 HG LEU 13 HG LEU 13 6.774 -16.977 6.436 57 HD11 LEU 13 1HD1 LEU 13 8.752 -18.101 7.534 58 HD12 LEU 13 2HD1 LEU 13 9.470 -16.497 7.678 59 HD13 LEU 13 3HD1 LEU 13 9.102 -17.157 6.085 60 HD21 LEU 13 1HD2 LEU 13 7.471 -16.474 9.318 61 HD22 LEU 13 2HD2 LEU 13 6.490 -17.773 8.637 62 HD23 LEU 13 3HD2 LEU 13 5.878 -16.118 8.648 63 H VAL 14 H VAL 14 4.446 -12.872 5.726 64 HA VAL 14 HA VAL 14 6.188 -10.502 5.540 65 HB VAL 14 HB VAL 14 4.394 -11.650 3.402 66 HG11 VAL 14 1HG1 VAL 14 5.927 -9.057 3.304 67 HG12 VAL 14 2HG1 VAL 14 4.873 -9.723 2.055 68 HG13 VAL 14 3HG1 VAL 14 4.191 -9.177 3.588 69 HG21 VAL 14 1HG2 VAL 14 7.268 -11.661 3.925 70 HG22 VAL 14 2HG2 VAL 14 6.301 -12.707 2.885 71 HG23 VAL 14 3HG2 VAL 14 6.844 -11.136 2.295 72 H SER 15 H SER 15 5.331 -8.726 6.383 73 HA SER 15 HA SER 15 2.411 -8.415 6.401 74 HB2 SER 15 1HB SER 15 3.299 -9.250 8.635 75 HB3 SER 15 2HB SER 15 4.125 -7.700 8.784 76 HG SER 15 HG SER 15 1.547 -8.297 9.258 77 H ALA 16 H ALA 16 1.802 -6.116 7.030 78 HA ALA 16 HA ALA 16 3.813 -4.181 6.106 79 HB1 ALA 16 1HB ALA 16 2.126 -4.892 4.311 80 HB2 ALA 16 2HB ALA 16 0.949 -3.965 5.242 81 HB3 ALA 16 3HB ALA 16 2.373 -3.165 4.576 82 H TYR 17 H TYR 17 3.923 -2.366 7.288 83 HA TYR 17 HA TYR 17 1.672 -1.668 9.035 84 HB2 TYR 17 1HB TYR 17 3.251 -1.217 10.892 85 HB3 TYR 17 2HB TYR 17 3.208 -2.918 10.440 86 HD1 TYR 17 1HD TYR 17 5.168 0.209 10.004 87 HD2 TYR 17 2HD TYR 17 5.177 -4.043 9.840 88 HE1 TYR 17 1HE TYR 17 7.611 0.231 9.719 89 HE2 TYR 17 2HE TYR 17 7.620 -4.032 9.556 90 HH TYR 17 HH TYR 17 9.539 -1.481 10.226 91 H GLY 18 H GLY 18 1.324 0.490 9.294 92 HA2 GLY 18 1HA GLY 18 3.000 2.614 9.179 93 HA3 GLY 18 2HA GLY 18 2.721 2.253 7.482 94 HA PRO 19 HA PRO 19 -0.703 4.941 9.402 95 HB2 PRO 19 1HB PRO 19 -0.013 7.312 8.274 96 HB3 PRO 19 2HB PRO 19 0.579 6.793 9.856 97 HG2 PRO 19 1HG PRO 19 1.937 6.668 7.191 98 HG3 PRO 19 2HG PRO 19 2.601 7.149 8.763 99 HD2 PRO 19 1HD PRO 19 3.016 4.696 7.696 100 HD3 PRO 19 2HD PRO 19 2.898 4.968 9.446 101 H GLY 20 H GLY 20 0.610 4.137 6.362 102 HA2 GLY 20 1HA GLY 20 -1.468 5.389 4.784 103 HA3 GLY 20 2HA GLY 20 -0.206 4.318 4.192 104 H LEU 21 H LEU 21 -0.875 2.267 6.225 105 HA LEU 21 HA LEU 21 -2.920 0.934 4.690 106 HB2 LEU 21 1HB LEU 21 -1.528 0.009 7.197 107 HB3 LEU 21 2HB LEU 21 -2.448 -0.987 6.072 108 HG LEU 21 HG LEU 21 -0.021 0.473 5.114 109 HD11 LEU 21 1HD1 LEU 21 1.168 -0.564 6.721 110 HD12 LEU 21 2HD1 LEU 21 0.985 -1.963 5.664 111 HD13 LEU 21 3HD1 LEU 21 -0.095 -1.753 7.042 112 HD21 LEU 21 1HD2 LEU 21 -1.640 -0.744 3.604 113 HD22 LEU 21 2HD2 LEU 21 -1.097 -2.237 4.371 114 HD23 LEU 21 3HD2 LEU 21 0.050 -1.235 3.480 115 H GLU 22 H GLU 22 -2.617 2.413 7.861 116 HA GLU 22 HA GLU 22 -5.275 1.553 8.653 117 HB2 GLU 22 1HB GLU 22 -2.999 2.940 9.979 118 HB3 GLU 22 2HB GLU 22 -4.612 3.231 10.614 119 HG2 GLU 22 1HG GLU 22 -3.566 0.456 10.183 120 HG3 GLU 22 2HG GLU 22 -3.236 1.359 11.661 121 H GLY 23 H GLY 23 -3.762 4.258 7.159 122 HA2 GLY 23 1HA GLY 23 -5.170 5.806 5.940 123 HA3 GLY 23 2HA GLY 23 -6.337 5.694 7.250 124 H GLY 24 H GLY 24 -5.630 8.158 6.401 125 HA2 GLY 24 1HA GLY 24 -4.388 9.245 8.784 126 HA3 GLY 24 2HA GLY 24 -3.488 9.520 7.299 127 H THR 25 H THR 25 -3.883 11.379 6.318 128 HA THR 25 HA THR 25 -6.574 12.546 6.522 129 HB THR 25 HB THR 25 -3.954 13.965 7.001 130 HG1 THR 25 1HG THR 25 -6.356 13.919 8.534 131 HG21 THR 25 1HG2 THR 25 -5.352 16.040 7.147 132 HG22 THR 25 2HG2 THR 25 -6.677 15.129 6.422 133 HG23 THR 25 3HG2 THR 25 -5.185 15.387 5.518 134 H THR 26 H THR 26 -7.181 13.921 4.792 135 HA THR 26 HA THR 26 -6.268 13.085 2.255 136 HB THR 26 HB THR 26 -7.659 15.050 1.413 137 HG1 THR 26 1HG THR 26 -8.860 16.156 2.926 138 HG21 THR 26 1HG2 THR 26 -8.553 12.782 1.566 139 HG22 THR 26 2HG2 THR 26 -9.784 13.968 2.002 140 HG23 THR 26 3HG2 THR 26 -8.962 13.047 3.261 141 H GLY 27 H GLY 27 -5.224 14.298 0.603 142 HA2 GLY 27 1HA GLY 27 -3.590 15.676 -0.234 143 HA3 GLY 27 2HA GLY 27 -4.115 16.858 0.955 144 H VAL 28 H VAL 28 -3.051 13.763 2.063 145 HA VAL 28 HA VAL 28 -0.451 14.920 2.825 146 HB VAL 28 HB VAL 28 -2.217 13.184 4.555 147 HG11 VAL 28 1HG1 VAL 28 -0.402 13.782 6.275 148 HG12 VAL 28 2HG1 VAL 28 -0.041 12.530 5.084 149 HG13 VAL 28 3HG1 VAL 28 0.600 14.160 4.874 150 HG21 VAL 28 1HG2 VAL 28 -1.363 15.754 5.614 151 HG22 VAL 28 2HG2 VAL 28 -2.341 15.911 4.154 152 HG23 VAL 28 3HG2 VAL 28 -2.973 15.036 5.549 153 H SER 29 H SER 29 1.162 13.797 1.979 154 HA SER 29 HA SER 29 0.961 11.432 0.574 155 HB2 SER 29 1HB SER 29 3.247 12.856 1.881 156 HB3 SER 29 2HB SER 29 3.514 11.249 1.207 157 HG SER 29 HG SER 29 2.740 13.620 -0.108 158 H SER 30 H SER 30 0.097 9.621 1.373 159 HA SER 30 HA SER 30 0.916 8.718 4.046 160 HB2 SER 30 1HB SER 30 -1.358 7.649 2.363 161 HB3 SER 30 2HB SER 30 -1.063 7.354 4.077 162 HG SER 30 HG SER 30 -1.815 9.296 4.561 163 H GLU 31 H GLU 31 2.310 7.101 4.235 164 HA GLU 31 HA GLU 31 2.543 5.162 2.036 165 HB2 GLU 31 1HB GLU 31 4.949 5.175 2.200 166 HB3 GLU 31 2HB GLU 31 4.391 6.819 1.924 167 HG2 GLU 31 1HG GLU 31 5.235 5.657 4.568 168 HG3 GLU 31 2HG GLU 31 6.176 6.759 3.565 169 H PHE 32 H PHE 32 4.102 3.300 2.867 170 HA PHE 32 HA PHE 32 3.847 2.688 5.666 171 HB2 PHE 32 1HB PHE 32 2.568 0.555 5.228 172 HB3 PHE 32 2HB PHE 32 1.631 2.036 5.060 173 HD1 PHE 32 1HD PHE 32 3.277 -0.696 3.229 174 HD2 PHE 32 2HD PHE 32 0.693 2.676 2.973 175 HE1 PHE 32 1HE PHE 32 2.617 -1.379 0.959 176 HE2 PHE 32 2HE PHE 32 0.027 1.998 0.704 177 HZ PHE 32 HZ PHE 32 0.989 -0.032 -0.306 178 H ILE 33 H ILE 33 4.980 0.755 6.270 179 HA ILE 33 HA ILE 33 7.013 0.005 4.284 180 HB ILE 33 HB ILE 33 7.061 -0.034 7.296 181 HG12 ILE 33 1HG1 ILE 33 8.777 1.355 5.226 182 HG13 ILE 33 2HG1 ILE 33 7.546 2.118 6.227 183 HG21 ILE 33 1HG2 ILE 33 8.901 -1.358 5.332 184 HG22 ILE 33 2HG2 ILE 33 9.452 -0.872 6.934 185 HG23 ILE 33 3HG2 ILE 33 8.142 -2.041 6.770 186 HD11 ILE 33 1HD1 ILE 33 9.004 1.163 8.184 187 HD12 ILE 33 2HD1 ILE 33 10.266 1.176 6.951 188 HD13 ILE 33 3HD1 ILE 33 9.433 2.671 7.376 189 H VAL 34 H VAL 34 7.166 -2.027 3.566 190 HA VAL 34 HA VAL 34 5.401 -4.045 4.777 191 HB VAL 34 HB VAL 34 6.647 -4.131 2.030 192 HG11 VAL 34 1HG1 VAL 34 4.815 -5.794 1.640 193 HG12 VAL 34 2HG1 VAL 34 6.049 -6.313 2.790 194 HG13 VAL 34 3HG1 VAL 34 4.484 -5.743 3.371 195 HG21 VAL 34 1HG2 VAL 34 5.203 -2.521 1.477 196 HG22 VAL 34 2HG2 VAL 34 3.937 -3.729 1.699 197 HG23 VAL 34 3HG2 VAL 34 4.356 -2.637 3.019 198 H ASN 35 H ASN 35 6.546 -5.152 6.254 199 HA ASN 35 HA ASN 35 9.335 -5.705 5.984 200 HB2 ASN 35 1HB ASN 35 8.759 -5.610 8.210 201 HB3 ASN 35 2HB ASN 35 7.198 -6.384 7.950 202 HD21 ASN 35 1HD2 ASN 35 10.656 -6.946 8.162 203 HD22 ASN 35 2HD2 ASN 35 10.545 -8.609 8.618 204 H THR 36 H THR 36 10.038 -7.064 4.469 205 HA THR 36 HA THR 36 8.655 -9.651 4.180 206 HB THR 36 HB THR 36 9.320 -9.702 1.820 207 HG1 THR 36 1HG THR 36 11.085 -8.004 2.385 208 HG21 THR 36 1HG2 THR 36 8.027 -7.290 1.378 209 HG22 THR 36 2HG2 THR 36 7.463 -7.789 2.973 210 HG23 THR 36 3HG2 THR 36 7.259 -8.863 1.590 211 H LEU 37 H LEU 37 11.346 -8.236 5.334 212 HA LEU 37 HA LEU 37 13.529 -9.592 4.320 213 HB2 LEU 37 1HB LEU 37 13.066 -8.929 7.222 214 HB3 LEU 37 2HB LEU 37 14.622 -9.180 6.433 215 HG LEU 37 HG LEU 37 12.816 -6.960 5.549 216 HD11 LEU 37 1HD1 LEU 37 14.710 -5.852 7.264 217 HD12 LEU 37 2HD1 LEU 37 14.034 -7.220 8.148 218 HD13 LEU 37 3HD1 LEU 37 12.969 -5.960 7.524 219 HD21 LEU 37 1HD2 LEU 37 14.656 -7.351 4.109 220 HD22 LEU 37 2HD2 LEU 37 15.774 -7.507 5.464 221 HD23 LEU 37 3HD2 LEU 37 15.071 -5.936 5.077 222 H ASN 38 H ASN 38 11.479 -10.574 7.066 223 HA ASN 38 HA ASN 38 12.699 -12.982 7.661 224 HB2 ASN 38 1HB ASN 38 9.902 -11.958 7.958 225 HB3 ASN 38 2HB ASN 38 10.235 -13.651 8.313 226 HD21 ASN 38 1HD2 ASN 38 12.119 -10.701 8.858 227 HD22 ASN 38 2HD2 ASN 38 12.274 -10.911 10.566 228 H ALA 39 H ALA 39 10.328 -12.244 5.164 229 HA ALA 39 HA ALA 39 9.719 -14.864 4.376 230 HB1 ALA 39 1HB ALA 39 9.662 -13.221 2.079 231 HB2 ALA 39 2HB ALA 39 8.312 -13.722 3.098 232 HB3 ALA 39 3HB ALA 39 9.173 -12.224 3.450 233 H GLY 40 H GLY 40 11.971 -12.576 2.801 234 HA2 GLY 40 1HA GLY 40 14.269 -13.622 2.462 235 HA3 GLY 40 2HA GLY 40 13.375 -14.912 1.671 236 H SER 41 H SER 41 12.090 -14.315 -0.241 237 HA SER 41 HA SER 41 12.625 -11.829 -1.563 238 HB2 SER 41 1HB SER 41 14.028 -14.340 -2.485 239 HB3 SER 41 2HB SER 41 13.770 -12.950 -3.538 240 HG SER 41 HG SER 41 15.703 -12.540 -2.663 241 H GLY 42 H GLY 42 11.529 -11.659 -3.629 242 HA2 GLY 42 1HA GLY 42 10.109 -13.429 -5.060 243 HA3 GLY 42 2HA GLY 42 9.095 -13.241 -3.637 244 H ALA 43 H ALA 43 7.821 -12.591 -5.787 245 HA ALA 43 HA ALA 43 8.216 -9.791 -6.464 246 HB1 ALA 43 1HB ALA 43 6.757 -12.060 -7.615 247 HB2 ALA 43 2HB ALA 43 5.928 -10.508 -7.744 248 HB3 ALA 43 3HB ALA 43 7.552 -10.698 -8.406 249 H LEU 44 H LEU 44 6.840 -8.131 -5.948 250 HA LEU 44 HA LEU 44 4.759 -8.751 -3.957 251 HB2 LEU 44 1HB LEU 44 6.414 -7.539 -2.832 252 HB3 LEU 44 2HB LEU 44 6.667 -6.451 -4.195 253 HG LEU 44 HG LEU 44 4.182 -5.744 -3.642 254 HD11 LEU 44 1HD1 LEU 44 5.114 -7.199 -1.230 255 HD12 LEU 44 2HD1 LEU 44 3.490 -7.026 -1.895 256 HD13 LEU 44 3HD1 LEU 44 4.220 -5.696 -0.995 257 HD21 LEU 44 1HD2 LEU 44 6.195 -4.696 -1.723 258 HD22 LEU 44 2HD2 LEU 44 5.059 -3.831 -2.757 259 HD23 LEU 44 3HD2 LEU 44 6.522 -4.534 -3.448 260 H SER 45 H SER 45 2.816 -7.570 -4.022 261 HA SER 45 HA SER 45 2.351 -5.953 -6.427 262 HB2 SER 45 1HB SER 45 1.433 -7.961 -7.183 263 HB3 SER 45 2HB SER 45 0.866 -8.421 -5.578 264 HG SER 45 HG SER 45 -0.184 -6.129 -6.813 265 H VAL 46 H VAL 46 1.325 -4.112 -6.000 266 HA VAL 46 HA VAL 46 -0.256 -3.925 -3.520 267 HB VAL 46 HB VAL 46 1.556 -1.788 -4.652 268 HG11 VAL 46 1HG1 VAL 46 0.594 -1.344 -1.971 269 HG12 VAL 46 2HG1 VAL 46 0.500 -0.295 -3.387 270 HG13 VAL 46 3HG1 VAL 46 -0.748 -1.509 -3.104 271 HG21 VAL 46 1HG2 VAL 46 2.478 -2.217 -2.174 272 HG22 VAL 46 2HG2 VAL 46 1.889 -3.837 -2.546 273 HG23 VAL 46 3HG2 VAL 46 3.089 -3.075 -3.589 274 H THR 47 H THR 47 -2.217 -3.000 -3.685 275 HA THR 47 HA THR 47 -2.879 -1.360 -6.000 276 HB THR 47 HB THR 47 -4.997 -2.711 -6.365 277 HG1 THR 47 1HG THR 47 -3.592 -4.382 -4.589 278 HG21 THR 47 1HG2 THR 47 -3.163 -2.774 -7.961 279 HG22 THR 47 2HG2 THR 47 -3.869 -4.381 -7.791 280 HG23 THR 47 3HG2 THR 47 -2.340 -4.000 -6.999 281 H ILE 48 H ILE 48 -4.528 0.079 -5.634 282 HA ILE 48 HA ILE 48 -5.815 -0.036 -2.986 283 HB ILE 48 HB ILE 48 -4.976 2.506 -4.376 284 HG12 ILE 48 1HG1 ILE 48 -3.657 1.329 -1.937 285 HG13 ILE 48 2HG1 ILE 48 -3.091 0.954 -3.561 286 HG21 ILE 48 1HG2 ILE 48 -5.740 3.653 -2.529 287 HG22 ILE 48 2HG2 ILE 48 -6.929 2.359 -2.658 288 HG23 ILE 48 3HG2 ILE 48 -5.627 2.244 -1.475 289 HD11 ILE 48 1HD1 ILE 48 -2.918 3.479 -3.886 290 HD12 ILE 48 2HD1 ILE 48 -3.074 3.583 -2.132 291 HD13 ILE 48 3HD1 ILE 48 -1.727 2.697 -2.846 292 H ASP 49 H ASP 49 -7.944 0.619 -2.853 293 HA ASP 49 HA ASP 49 -9.267 1.457 -5.334 294 HB2 ASP 49 1HB ASP 49 -9.402 -1.112 -4.724 295 HB3 ASP 49 2HB ASP 49 -10.643 -0.555 -3.605 296 H GLY 50 H GLY 50 -10.073 3.393 -4.839 297 HA2 GLY 50 1HA GLY 50 -11.741 3.609 -2.428 298 HA3 GLY 50 2HA GLY 50 -10.475 4.799 -2.696 299 HA PRO 51 HA PRO 51 -14.414 6.368 -4.592 300 HB2 PRO 51 1HB PRO 51 -14.241 8.843 -3.491 301 HB3 PRO 51 2HB PRO 51 -15.002 7.476 -2.668 302 HG2 PRO 51 1HG PRO 51 -12.251 8.603 -2.320 303 HG3 PRO 51 2HG PRO 51 -13.403 8.063 -1.085 304 HD2 PRO 51 1HD PRO 51 -11.323 6.535 -1.906 305 HD3 PRO 51 2HD PRO 51 -12.871 5.840 -1.381 306 H SER 52 H SER 52 -11.101 7.321 -4.505 307 HA SER 52 HA SER 52 -11.329 8.441 -7.174 308 HB2 SER 52 1HB SER 52 -11.559 10.280 -5.299 309 HB3 SER 52 2HB SER 52 -9.808 10.100 -5.199 310 HG SER 52 HG SER 52 -9.737 10.541 -7.460 311 H LYS 53 H LYS 53 -9.501 8.183 -8.382 312 HA LYS 53 HA LYS 53 -7.671 6.218 -7.732 313 HB2 LYS 53 1HB LYS 53 -7.784 8.369 -9.783 314 HB3 LYS 53 2HB LYS 53 -6.238 7.566 -9.543 315 HG2 LYS 53 1HG LYS 53 -7.245 6.360 -11.255 316 HG3 LYS 53 2HG LYS 53 -7.542 5.381 -9.817 317 HD2 LYS 53 1HD LYS 53 -9.577 7.414 -10.575 318 HD3 LYS 53 2HD LYS 53 -9.468 5.944 -11.547 319 HE2 LYS 53 1HE LYS 53 -9.479 4.766 -9.207 320 HE3 LYS 53 2HE LYS 53 -10.213 6.278 -8.675 321 HZ1 LYS 53 1HZ LYS 53 -11.581 5.624 -10.945 322 HZ2 LYS 53 2HZ LYS 53 -12.124 5.407 -9.358 323 HZ3 LYS 53 3HZ LYS 53 -11.363 4.134 -10.172 324 H VAL 54 H VAL 54 -5.561 6.192 -6.986 325 HA VAL 54 HA VAL 54 -4.586 8.697 -5.777 326 HB VAL 54 HB VAL 54 -3.655 7.402 -3.917 327 HG11 VAL 54 1HG1 VAL 54 -5.704 8.331 -3.352 328 HG12 VAL 54 2HG1 VAL 54 -6.598 7.281 -4.453 329 HG13 VAL 54 3HG1 VAL 54 -5.929 6.627 -2.957 330 HG21 VAL 54 1HG2 VAL 54 -4.986 5.084 -5.304 331 HG22 VAL 54 2HG2 VAL 54 -3.280 5.269 -4.894 332 HG23 VAL 54 3HG2 VAL 54 -4.474 5.038 -3.617 333 H GLN 55 H GLN 55 -2.508 9.217 -6.155 334 HA GLN 55 HA GLN 55 -1.023 7.612 -8.036 335 HB2 GLN 55 1HB GLN 55 -1.198 10.192 -7.949 336 HB3 GLN 55 2HB GLN 55 0.020 10.085 -6.685 337 HG2 GLN 55 1HG GLN 55 1.319 8.662 -8.430 338 HG3 GLN 55 2HG GLN 55 0.244 9.443 -9.588 339 HE21 GLN 55 1HE2 GLN 55 2.217 10.344 -10.456 340 HE22 GLN 55 2HE2 GLN 55 2.891 11.764 -9.738 341 H LEU 56 H LEU 56 -0.266 5.782 -7.070 342 HA LEU 56 HA LEU 56 1.229 6.020 -4.569 343 HB2 LEU 56 1HB LEU 56 0.867 3.794 -4.225 344 HB3 LEU 56 2HB LEU 56 -0.557 4.206 -5.179 345 HG LEU 56 HG LEU 56 0.897 3.407 -7.190 346 HD11 LEU 56 1HD1 LEU 56 2.856 2.463 -6.764 347 HD12 LEU 56 2HD1 LEU 56 2.125 1.375 -5.584 348 HD13 LEU 56 3HD1 LEU 56 2.692 2.968 -5.083 349 HD21 LEU 56 1HD2 LEU 56 -0.657 1.870 -5.190 350 HD22 LEU 56 2HD2 LEU 56 0.257 0.949 -6.386 351 HD23 LEU 56 3HD2 LEU 56 -0.953 2.121 -6.911 352 H ASP 57 H ASP 57 3.355 5.191 -4.350 353 HA ASP 57 HA ASP 57 4.823 4.701 -6.839 354 HB2 ASP 57 1HB ASP 57 4.925 7.163 -5.886 355 HB3 ASP 57 2HB ASP 57 6.094 6.451 -4.777 356 H CYS 58 H CYS 58 5.769 2.794 -6.619 357 HA CYS 58 HA CYS 58 6.330 1.698 -4.006 358 HB2 CYS 58 1HB CYS 58 7.011 -0.321 -5.255 359 HB3 CYS 58 2HB CYS 58 5.410 0.238 -5.725 360 HG CYS 58 HG CYS 58 7.953 1.379 -7.611 361 H ARG 59 H ARG 59 8.159 2.053 -2.954 362 HA ARG 59 HA ARG 59 10.624 2.465 -4.514 363 HB2 ARG 59 1HB ARG 59 10.409 4.575 -3.660 364 HB3 ARG 59 2HB ARG 59 9.472 4.035 -2.273 365 HG2 ARG 59 1HG ARG 59 11.501 3.192 -1.218 366 HG3 ARG 59 2HG ARG 59 12.446 3.709 -2.616 367 HD2 ARG 59 1HD ARG 59 11.914 6.014 -2.190 368 HD3 ARG 59 2HD ARG 59 10.798 5.560 -0.902 369 HE ARG 59 HE ARG 59 12.580 5.362 0.518 370 HH11 ARG 59 1HH1 ARG 59 13.740 5.376 -2.765 371 HH12 ARG 59 2HH1 ARG 59 15.411 5.454 -2.311 372 HH21 ARG 59 1HH2 ARG 59 14.775 5.464 1.127 373 HH22 ARG 59 2HH2 ARG 59 15.998 5.503 -0.098 374 H GLU 60 H GLU 60 12.622 1.951 -3.299 375 HA GLU 60 HA GLU 60 12.255 -0.541 -1.844 376 HB2 GLU 60 1HB GLU 60 14.654 -0.852 -2.150 377 HB3 GLU 60 2HB GLU 60 13.884 -0.457 -3.680 378 HG2 GLU 60 1HG GLU 60 14.577 1.968 -3.139 379 HG3 GLU 60 2HG GLU 60 15.684 1.222 -1.987 380 H CYS 61 H CYS 61 12.859 -0.907 0.247 381 HA CYS 61 HA CYS 61 14.043 1.309 1.757 382 HB2 CYS 61 1HB CYS 61 11.375 0.062 2.183 383 HB3 CYS 61 2HB CYS 61 12.322 0.450 3.614 384 HG CYS 61 HG CYS 61 12.658 3.188 2.642 385 HA PRO 62 HA PRO 62 16.478 -1.732 3.768 386 HB2 PRO 62 1HB PRO 62 16.610 -0.799 6.314 387 HB3 PRO 62 2HB PRO 62 17.453 -0.030 4.964 388 HG2 PRO 62 1HG PRO 62 14.860 0.725 6.255 389 HG3 PRO 62 2HG PRO 62 16.196 1.768 5.735 390 HD2 PRO 62 1HD PRO 62 13.941 1.448 4.270 391 HD3 PRO 62 2HD PRO 62 15.529 1.734 3.529 392 H GLU 63 H GLU 63 13.238 -1.265 4.659 393 HA GLU 63 HA GLU 63 13.262 -3.515 6.539 394 HB2 GLU 63 1HB GLU 63 11.203 -1.410 5.898 395 HB3 GLU 63 2HB GLU 63 10.824 -2.830 6.862 396 HG2 GLU 63 1HG GLU 63 11.281 -1.081 8.375 397 HG3 GLU 63 2HG GLU 63 12.677 -2.158 8.410 398 H GLY 64 H GLY 64 12.573 -2.751 3.297 399 HA2 GLY 64 1HA GLY 64 12.282 -5.100 2.160 400 HA3 GLY 64 2HA GLY 64 10.726 -5.000 2.972 401 H HIS 65 H HIS 65 9.102 -3.891 2.035 402 HA HIS 65 HA HIS 65 9.755 -2.340 -0.385 403 HB2 HIS 65 1HB HIS 65 7.297 -4.041 0.081 404 HB3 HIS 65 2HB HIS 65 7.652 -3.110 -1.372 405 HD1 HIS 65 1HD HIS 65 8.586 -4.476 -3.195 406 HD2 HIS 65 2HD HIS 65 9.531 -6.044 0.534 407 HE1 HIS 65 1HE HIS 65 9.873 -6.587 -3.660 408 HE2 HIS 65 2HE HIS 65 10.360 -7.562 -1.389 409 H VAL 66 H VAL 66 8.980 -0.323 -0.494 410 HA VAL 66 HA VAL 66 6.963 0.488 1.498 411 HB VAL 66 HB VAL 66 9.225 1.397 1.986 412 HG11 VAL 66 1HG1 VAL 66 10.437 1.906 0.165 413 HG12 VAL 66 2HG1 VAL 66 9.007 2.201 -0.827 414 HG13 VAL 66 3HG1 VAL 66 9.606 3.459 0.255 415 HG21 VAL 66 1HG2 VAL 66 7.750 3.823 1.234 416 HG22 VAL 66 2HG2 VAL 66 6.817 2.639 2.149 417 HG23 VAL 66 3HG2 VAL 66 8.318 3.282 2.814 418 H VAL 67 H VAL 67 5.448 2.063 0.874 419 HA VAL 67 HA VAL 67 5.382 2.802 -1.960 420 HB VAL 67 HB VAL 67 3.125 1.438 -0.490 421 HG11 VAL 67 1HG1 VAL 67 1.894 2.955 -1.658 422 HG12 VAL 67 2HG1 VAL 67 3.134 3.180 -2.893 423 HG13 VAL 67 3HG1 VAL 67 2.108 1.745 -2.922 424 HG21 VAL 67 1HG2 VAL 67 4.252 -0.325 -1.355 425 HG22 VAL 67 2HG2 VAL 67 3.374 0.125 -2.817 426 HG23 VAL 67 3HG2 VAL 67 5.043 0.648 -2.595 427 H THR 68 H THR 68 4.944 4.889 -2.202 428 HA THR 68 HA THR 68 3.619 6.305 0.018 429 HB THR 68 HB THR 68 5.482 7.519 -2.029 430 HG1 THR 68 1HG THR 68 5.954 6.290 0.448 431 HG21 THR 68 1HG2 THR 68 4.213 9.273 -1.196 432 HG22 THR 68 2HG2 THR 68 5.587 9.257 -0.090 433 HG23 THR 68 3HG2 THR 68 4.054 8.536 0.397 434 H TYR 69 H TYR 69 1.672 7.108 -0.389 435 HA TYR 69 HA TYR 69 1.001 7.899 -3.137 436 HB2 TYR 69 1HB TYR 69 -1.055 6.764 -3.127 437 HB3 TYR 69 2HB TYR 69 0.075 5.601 -2.442 438 HD1 TYR 69 1HD TYR 69 -2.578 8.040 -1.585 439 HD2 TYR 69 2HD TYR 69 -0.231 4.749 -0.258 440 HE1 TYR 69 1HE TYR 69 -4.018 7.820 0.397 441 HE2 TYR 69 2HE TYR 69 -1.664 4.519 1.727 442 HH TYR 69 HH TYR 69 -3.219 5.665 3.018 443 H THR 70 H THR 70 -1.024 9.249 -3.195 444 HA THR 70 HA THR 70 -1.352 10.837 -0.741 445 HB THR 70 HB THR 70 -1.004 11.965 -3.525 446 HG1 THR 70 1HG THR 70 1.019 11.858 -2.878 447 HG21 THR 70 1HG2 THR 70 -0.912 13.993 -1.579 448 HG22 THR 70 2HG2 THR 70 -2.337 13.021 -1.210 449 HG23 THR 70 3HG2 THR 70 -2.148 13.738 -2.810 450 HA PRO 71 HA PRO 71 -5.608 9.930 -1.713 451 HB2 PRO 71 1HB PRO 71 -6.658 11.227 0.428 452 HB3 PRO 71 2HB PRO 71 -5.901 9.635 0.547 453 HG2 PRO 71 1HG PRO 71 -4.758 12.328 1.179 454 HG3 PRO 71 2HG PRO 71 -4.615 10.811 2.086 455 HD2 PRO 71 1HD PRO 71 -2.647 11.733 0.472 456 HD3 PRO 71 2HD PRO 71 -2.949 10.001 0.715 457 H MET 72 H MET 72 -7.424 11.065 -2.458 458 HA MET 72 HA MET 72 -7.007 13.950 -2.892 459 HB2 MET 72 1HB MET 72 -7.943 11.809 -4.766 460 HB3 MET 72 2HB MET 72 -8.500 13.462 -4.988 461 HG2 MET 72 1HG MET 72 -5.931 13.995 -4.822 462 HG3 MET 72 2HG MET 72 -5.784 12.312 -5.321 463 HE1 MET 72 1HE MET 72 -6.635 11.287 -7.117 464 HE2 MET 72 2HE MET 72 -7.926 11.928 -8.132 465 HE3 MET 72 3HE MET 72 -6.252 12.005 -8.682 466 H ALA 73 H ALA 73 -9.106 11.442 -1.844 467 HA ALA 73 HA ALA 73 -11.060 13.422 -0.991 468 HB1 ALA 73 1HB ALA 73 -11.721 11.152 -2.849 469 HB2 ALA 73 2HB ALA 73 -12.936 11.957 -1.855 470 HB3 ALA 73 3HB ALA 73 -12.039 12.873 -3.065 471 HA PRO 74 HA PRO 74 -11.106 10.868 2.594 472 HB2 PRO 74 1HB PRO 74 -13.471 11.661 3.667 473 HB3 PRO 74 2HB PRO 74 -12.021 12.672 3.685 474 HG2 PRO 74 1HG PRO 74 -14.373 12.765 1.835 475 HG3 PRO 74 2HG PRO 74 -13.501 14.104 2.603 476 HD2 PRO 74 1HD PRO 74 -13.082 13.380 0.028 477 HD3 PRO 74 2HD PRO 74 -11.796 14.050 1.053 478 H GLY 75 H GLY 75 -11.428 8.735 2.463 479 HA2 GLY 75 1HA GLY 75 -14.042 7.620 2.495 480 HA3 GLY 75 2HA GLY 75 -13.309 7.416 0.911 481 H ASN 76 H ASN 76 -13.530 5.114 1.394 482 HA ASN 76 HA ASN 76 -11.476 4.123 3.252 483 HB2 ASN 76 1HB ASN 76 -13.661 2.449 2.027 484 HB3 ASN 76 2HB ASN 76 -12.711 2.121 3.474 485 HD21 ASN 76 1HD2 ASN 76 -15.546 3.471 2.220 486 HD22 ASN 76 2HD2 ASN 76 -16.157 4.156 3.684 487 H TYR 77 H TYR 77 -9.621 3.923 2.144 488 HA TYR 77 HA TYR 77 -9.643 2.925 -0.591 489 HB2 TYR 77 1HB TYR 77 -7.434 3.979 1.179 490 HB3 TYR 77 2HB TYR 77 -7.159 3.354 -0.443 491 HD1 TYR 77 1HD TYR 77 -8.561 6.106 1.524 492 HD2 TYR 77 2HD TYR 77 -7.889 4.599 -2.398 493 HE1 TYR 77 1HE TYR 77 -9.069 8.324 0.591 494 HE2 TYR 77 2HE TYR 77 -8.394 6.813 -3.341 495 HH TYR 77 HH TYR 77 -9.007 8.900 -2.915 496 H LEU 78 H LEU 78 -9.692 0.803 -0.892 497 HA LEU 78 HA LEU 78 -8.783 -1.040 1.127 498 HB2 LEU 78 1HB LEU 78 -10.779 -1.303 -0.472 499 HB3 LEU 78 2HB LEU 78 -9.576 -1.775 -1.671 500 HG LEU 78 HG LEU 78 -10.471 -3.776 -0.797 501 HD11 LEU 78 1HD1 LEU 78 -8.564 -4.880 -0.056 502 HD12 LEU 78 2HD1 LEU 78 -7.977 -3.475 0.835 503 HD13 LEU 78 3HD1 LEU 78 -7.919 -3.489 -0.928 504 HD21 LEU 78 1HD2 LEU 78 -11.549 -3.600 1.153 505 HD22 LEU 78 2HD2 LEU 78 -10.540 -2.259 1.696 506 HD23 LEU 78 3HD2 LEU 78 -9.982 -3.921 1.895 507 H ILE 79 H ILE 79 -6.662 -1.323 1.379 508 HA ILE 79 HA ILE 79 -4.902 -1.277 -0.954 509 HB ILE 79 HB ILE 79 -4.245 -1.365 1.992 510 HG12 ILE 79 1HG1 ILE 79 -3.755 0.892 0.054 511 HG13 ILE 79 2HG1 ILE 79 -5.251 0.760 0.971 512 HG21 ILE 79 1HG2 ILE 79 -1.944 -1.067 1.376 513 HG22 ILE 79 2HG2 ILE 79 -2.569 -2.491 0.546 514 HG23 ILE 79 3HG2 ILE 79 -2.368 -0.975 -0.333 515 HD11 ILE 79 1HD1 ILE 79 -3.395 2.252 1.890 516 HD12 ILE 79 2HD1 ILE 79 -4.174 1.125 3.000 517 HD13 ILE 79 3HD1 ILE 79 -2.586 0.748 2.332 518 H ALA 80 H ALA 80 -4.732 -3.163 -1.980 519 HA ALA 80 HA ALA 80 -4.756 -5.654 -0.437 520 HB1 ALA 80 1HB ALA 80 -5.528 -4.897 -3.159 521 HB2 ALA 80 2HB ALA 80 -4.660 -6.428 -3.047 522 HB3 ALA 80 3HB ALA 80 -6.140 -6.184 -2.120 523 H ILE 81 H ILE 81 -2.856 -6.430 0.181 524 HA ILE 81 HA ILE 81 -0.522 -6.001 -1.567 525 HB ILE 81 HB ILE 81 -0.518 -6.473 1.416 526 HG12 ILE 81 1HG1 ILE 81 0.299 -3.923 0.055 527 HG13 ILE 81 2HG1 ILE 81 -1.389 -4.216 0.459 528 HG21 ILE 81 1HG2 ILE 81 1.458 -7.155 -0.211 529 HG22 ILE 81 2HG2 ILE 81 1.834 -5.438 -0.069 530 HG23 ILE 81 3HG2 ILE 81 1.760 -6.447 1.376 531 HD11 ILE 81 1HD1 ILE 81 0.643 -3.196 2.108 532 HD12 ILE 81 2HD1 ILE 81 -1.027 -3.567 2.537 533 HD13 ILE 81 3HD1 ILE 81 0.227 -4.791 2.735 534 H LYS 82 H LYS 82 0.460 -7.732 -2.390 535 HA LYS 82 HA LYS 82 -0.053 -10.359 -1.165 536 HB2 LYS 82 1HB LYS 82 -0.009 -9.725 -4.121 537 HB3 LYS 82 2HB LYS 82 -0.132 -11.339 -3.435 538 HG2 LYS 82 1HG LYS 82 -2.230 -10.454 -2.249 539 HG3 LYS 82 2HG LYS 82 -2.149 -9.127 -3.411 540 HD2 LYS 82 1HD LYS 82 -1.982 -11.004 -5.183 541 HD3 LYS 82 2HD LYS 82 -2.604 -12.049 -3.904 542 HE2 LYS 82 1HE LYS 82 -4.540 -10.553 -3.653 543 HE3 LYS 82 2HE LYS 82 -3.921 -9.550 -4.964 544 HZ1 LYS 82 1HZ LYS 82 -5.622 -11.646 -5.242 545 HZ2 LYS 82 2HZ LYS 82 -4.133 -12.321 -5.674 546 HZ3 LYS 82 3HZ LYS 82 -4.708 -10.952 -6.485 547 H TYR 83 H TYR 83 1.557 -12.018 -1.802 548 HA TYR 83 HA TYR 83 4.064 -11.186 -2.902 549 HB2 TYR 83 1HB TYR 83 3.971 -10.318 -0.450 550 HB3 TYR 83 2HB TYR 83 4.225 -12.006 -0.018 551 HD1 TYR 83 2HD TYR 83 5.687 -9.203 -1.972 552 HD2 TYR 83 1HD TYR 83 6.379 -12.930 -0.039 553 HE1 TYR 83 2HE TYR 83 8.108 -8.915 -2.296 554 HE2 TYR 83 1HE TYR 83 8.802 -12.652 -0.357 555 HH TYR 83 HH TYR 83 10.207 -10.945 -2.388 556 H GLY 84 H GLY 84 5.219 -12.904 -3.621 557 HA2 GLY 84 1HA GLY 84 5.397 -15.089 -4.380 558 HA3 GLY 84 2HA GLY 84 5.593 -15.386 -2.659 559 H GLY 85 H GLY 85 2.861 -14.643 -4.839 560 HA2 GLY 85 1HA GLY 85 1.511 -16.906 -5.059 561 HA3 GLY 85 2HA GLY 85 1.224 -16.557 -3.360 562 HA PRO 86 HA PRO 86 -1.581 -14.092 -6.412 563 HB2 PRO 86 1HB PRO 86 -3.618 -15.842 -6.814 564 HB3 PRO 86 2HB PRO 86 -2.219 -15.733 -7.889 565 HG2 PRO 86 1HG PRO 86 -2.768 -17.684 -5.686 566 HG3 PRO 86 2HG PRO 86 -2.108 -17.981 -7.304 567 HD2 PRO 86 1HD PRO 86 -0.545 -17.833 -5.098 568 HD3 PRO 86 2HD PRO 86 0.012 -17.309 -6.700 569 H GLN 87 H GLN 87 -1.685 -15.716 -3.476 570 HA GLN 87 HA GLN 87 -4.322 -14.746 -2.711 571 HB2 GLN 87 1HB GLN 87 -3.981 -15.957 -0.643 572 HB3 GLN 87 2HB GLN 87 -3.577 -16.997 -2.002 573 HG2 GLN 87 1HG GLN 87 -1.344 -17.009 -1.514 574 HG3 GLN 87 2HG GLN 87 -1.400 -15.443 -0.706 575 HE21 GLN 87 1HE2 GLN 87 -0.312 -16.206 1.095 576 HE22 GLN 87 2HE2 GLN 87 -1.051 -17.262 2.246 577 H HIS 88 H HIS 88 -4.325 -13.833 -0.328 578 HA HIS 88 HA HIS 88 -2.650 -11.448 -0.423 579 HB2 HIS 88 1HB HIS 88 -5.091 -12.182 1.192 580 HB3 HIS 88 2HB HIS 88 -4.168 -10.711 1.481 581 HD1 HIS 88 1HD HIS 88 -5.219 -8.767 0.400 582 HD2 HIS 88 2HD HIS 88 -5.793 -12.240 -1.807 583 HE1 HIS 88 1HE HIS 88 -6.564 -8.072 -1.608 584 HE2 HIS 88 2HE HIS 88 -6.972 -10.205 -2.885 585 H ILE 89 H ILE 89 -1.325 -10.774 1.267 586 HA ILE 89 HA ILE 89 -0.119 -12.900 2.776 587 HB ILE 89 HB ILE 89 1.435 -11.203 3.592 588 HG12 ILE 89 1HG1 ILE 89 0.127 -9.102 1.919 589 HG13 ILE 89 2HG1 ILE 89 -0.530 -9.430 3.519 590 HG21 ILE 89 1HG2 ILE 89 0.935 -11.799 0.815 591 HG22 ILE 89 2HG2 ILE 89 1.726 -10.235 0.998 592 HG23 ILE 89 3HG2 ILE 89 2.466 -11.682 1.681 593 HD11 ILE 89 1HD1 ILE 89 2.201 -9.219 3.928 594 HD12 ILE 89 2HD1 ILE 89 1.825 -7.954 2.758 595 HD13 ILE 89 3HD1 ILE 89 0.974 -8.009 4.302 596 H VAL 90 H VAL 90 0.190 -12.877 5.085 597 HA VAL 90 HA VAL 90 -2.067 -12.799 6.605 598 HB VAL 90 HB VAL 90 -0.144 -13.839 7.523 599 HG11 VAL 90 1HG1 VAL 90 1.528 -11.680 8.302 600 HG12 VAL 90 2HG1 VAL 90 1.894 -13.018 7.211 601 HG13 VAL 90 3HG1 VAL 90 1.200 -11.526 6.576 602 HG21 VAL 90 1HG2 VAL 90 -0.027 -12.893 9.759 603 HG22 VAL 90 2HG2 VAL 90 -0.706 -11.375 9.172 604 HG23 VAL 90 3HG2 VAL 90 -1.685 -12.842 9.158 605 H GLY 91 H GLY 91 -3.428 -11.235 7.152 606 HA2 GLY 91 1HA GLY 91 -3.817 -9.205 8.408 607 HA3 GLY 91 2HA GLY 91 -2.331 -8.559 7.728 608 H SER 92 H SER 92 -2.807 -9.341 5.028 609 HA SER 92 HA SER 92 -4.416 -7.135 4.202 610 HB2 SER 92 1HB SER 92 -3.048 -9.356 2.679 611 HB3 SER 92 2HB SER 92 -3.969 -8.079 1.884 612 HG SER 92 HG SER 92 -2.503 -6.653 3.239 613 HA PRO 93 HA PRO 93 -5.390 -6.695 2.070 614 HB2 PRO 93 1HB PRO 93 -7.759 -5.373 1.954 615 HB3 PRO 93 2HB PRO 93 -7.305 -6.634 0.802 616 HG2 PRO 93 1HG PRO 93 -9.067 -6.819 3.215 617 HG3 PRO 93 2HG PRO 93 -9.303 -7.516 1.602 618 HD2 PRO 93 1HD PRO 93 -8.388 -8.968 3.697 619 HD3 PRO 93 2HD PRO 93 -7.890 -9.288 2.023 620 H PHE 94 H PHE 94 -5.812 -4.260 2.568 621 HA PHE 94 HA PHE 94 -5.960 -3.905 5.489 622 HB2 PHE 94 1HB PHE 94 -3.995 -2.786 3.508 623 HB3 PHE 94 2HB PHE 94 -4.309 -1.962 5.032 624 HD1 PHE 94 2HD PHE 94 -3.868 -3.174 7.181 625 HD2 PHE 94 1HD PHE 94 -2.592 -4.662 3.403 626 HE1 PHE 94 2HE PHE 94 -2.256 -4.649 8.311 627 HE2 PHE 94 1HE PHE 94 -0.979 -6.141 4.528 628 HZ PHE 94 HZ PHE 94 -0.808 -6.135 6.985 629 H LYS 95 H LYS 95 -7.464 -2.523 6.142 630 HA LYS 95 HA LYS 95 -8.830 -0.871 4.172 631 HB2 LYS 95 1HB LYS 95 -10.131 -2.259 5.760 632 HB3 LYS 95 2HB LYS 95 -9.465 -1.327 7.094 633 HG2 LYS 95 1HG LYS 95 -11.570 -0.403 6.746 634 HG3 LYS 95 2HG LYS 95 -10.473 0.716 5.933 635 HD2 LYS 95 1HD LYS 95 -12.261 0.396 4.434 636 HD3 LYS 95 2HD LYS 95 -10.947 -0.604 3.810 637 HE2 LYS 95 1HE LYS 95 -12.664 -2.104 3.688 638 HE3 LYS 95 2HE LYS 95 -12.098 -2.437 5.324 639 HZ1 LYS 95 1HZ LYS 95 -14.430 -2.236 5.435 640 HZ2 LYS 95 2HZ LYS 95 -14.443 -0.817 4.514 641 HZ3 LYS 95 3HZ LYS 95 -13.817 -0.799 6.086 642 H ALA 96 H ALA 96 -8.294 1.178 3.855 643 HA ALA 96 HA ALA 96 -6.962 2.640 6.040 644 HB1 ALA 96 1HB ALA 96 -5.733 3.875 4.450 645 HB2 ALA 96 2HB ALA 96 -5.646 2.194 3.923 646 HB3 ALA 96 3HB ALA 96 -6.744 3.314 3.118 647 H LYS 97 H LYS 97 -8.179 4.138 6.966 648 HA LYS 97 HA LYS 97 -10.365 5.350 5.416 649 HB2 LYS 97 1HB LYS 97 -10.936 4.111 7.524 650 HB3 LYS 97 2HB LYS 97 -10.021 5.318 8.418 651 HG2 LYS 97 1HG LYS 97 -11.551 7.016 7.917 652 HG3 LYS 97 2HG LYS 97 -12.296 6.079 6.619 653 HD2 LYS 97 1HD LYS 97 -13.407 4.670 8.118 654 HD3 LYS 97 2HD LYS 97 -12.354 5.119 9.462 655 HE2 LYS 97 1HE LYS 97 -13.320 7.432 9.311 656 HE3 LYS 97 2HE LYS 97 -14.490 6.796 8.155 657 HZ1 LYS 97 1HZ LYS 97 -15.658 5.802 9.766 658 HZ2 LYS 97 2HZ LYS 97 -14.866 6.872 10.808 659 HZ3 LYS 97 3HZ LYS 97 -14.286 5.295 10.616 660 H VAL 98 H VAL 98 -9.574 7.144 4.472 661 HA VAL 98 HA VAL 98 -7.784 8.909 5.945 662 HB VAL 98 HB VAL 98 -8.818 9.111 3.113 663 HG11 VAL 98 1HG1 VAL 98 -7.669 11.087 4.732 664 HG12 VAL 98 2HG1 VAL 98 -6.389 10.553 3.641 665 HG13 VAL 98 3HG1 VAL 98 -7.919 11.139 2.987 666 HG21 VAL 98 1HG2 VAL 98 -6.090 8.286 4.098 667 HG22 VAL 98 2HG2 VAL 98 -7.343 7.163 3.567 668 HG23 VAL 98 3HG2 VAL 98 -6.653 8.318 2.427 669 H THR 99 H THR 99 -8.340 10.828 6.798 670 HA THR 99 HA THR 99 -11.154 11.650 6.541 671 HB THR 99 HB THR 99 -11.092 12.546 8.692 672 HG1 THR 99 1HG THR 99 -8.274 12.578 8.353 673 HG21 THR 99 1HG2 THR 99 -10.716 10.709 9.975 674 HG22 THR 99 2HG2 THR 99 -9.099 10.449 9.320 675 HG23 THR 99 3HG2 THR 99 -10.516 9.942 8.400 676 H GLY 100 H GLY 100 -11.477 14.077 6.878 677 HA2 GLY 100 1HA GLY 100 -10.555 16.297 6.604 678 HA3 GLY 100 2HA GLY 100 -9.328 15.602 5.555 679 HA PRO 101 HA PRO 101 -13.134 17.248 3.194 680 HB2 PRO 101 1HB PRO 101 -12.095 19.597 2.316 681 HB3 PRO 101 2HB PRO 101 -12.998 19.453 3.828 682 HG2 PRO 101 1HG PRO 101 -10.038 19.532 3.391 683 HG3 PRO 101 2HG PRO 101 -11.008 20.350 4.630 684 HD2 PRO 101 1HD PRO 101 -9.619 18.080 5.131 685 HD3 PRO 101 2HD PRO 101 -11.150 18.462 5.944 686 H ARG 102 H ARG 102 -13.313 16.904 1.025 687 HA ARG 102 HA ARG 102 -11.485 15.469 -0.392 688 HB2 ARG 102 1HB ARG 102 -13.581 17.394 -1.390 689 HB3 ARG 102 2HB ARG 102 -12.652 16.359 -2.467 690 HG2 ARG 102 1HG ARG 102 -13.617 14.409 -1.618 691 HG3 ARG 102 2HG ARG 102 -14.215 15.229 -0.174 692 HD2 ARG 102 1HD ARG 102 -15.979 16.200 -1.292 693 HD3 ARG 102 2HD ARG 102 -15.166 16.123 -2.854 694 HE ARG 102 HE ARG 102 -16.124 14.083 -3.184 695 HH11 ARG 102 1HH1 ARG 102 -16.124 14.768 0.229 696 HH12 ARG 102 2HH1 ARG 102 -17.032 13.352 0.646 697 HH21 ARG 102 1HH2 ARG 102 -17.321 12.216 -2.648 698 HH22 ARG 102 2HH2 ARG 102 -17.712 11.901 -0.991 699 H LEU 103 H LEU 103 -9.463 15.899 -0.952 700 HA LEU 103 HA LEU 103 -8.767 18.661 -1.708 701 HB2 LEU 103 1HB LEU 103 -7.331 16.578 -0.152 702 HB3 LEU 103 2HB LEU 103 -6.372 17.653 -1.168 703 HG LEU 103 HG LEU 103 -8.321 18.832 0.761 704 HD11 LEU 103 1HD1 LEU 103 -6.742 16.999 1.797 705 HD12 LEU 103 2HD1 LEU 103 -7.017 18.537 2.613 706 HD13 LEU 103 3HD1 LEU 103 -5.544 18.288 1.676 707 HD21 LEU 103 1HD2 LEU 103 -7.236 20.732 0.315 708 HD22 LEU 103 2HD2 LEU 103 -6.549 19.866 -1.060 709 HD23 LEU 103 3HD2 LEU 103 -5.653 19.967 0.457 710 H SER 104 H SER 104 -9.282 18.359 -3.898 711 HA SER 104 HA SER 104 -7.188 17.028 -5.411 712 HB2 SER 104 1HB SER 104 -8.590 15.631 -6.696 713 HB3 SER 104 2HB SER 104 -9.140 15.396 -5.037 714 HG SER 104 HG SER 104 -10.366 16.805 -7.138 715 H GLY 105 H GLY 105 -7.678 17.398 -7.876 716 HA2 GLY 105 1HA GLY 105 -8.569 18.859 -9.541 717 HA3 GLY 105 2HA GLY 105 -8.949 20.018 -8.276 718 H SER 106 H SER 106 -7.499 20.432 -10.773 719 HA SER 106 HA SER 106 -4.723 20.747 -10.095 720 HB2 SER 106 1HB SER 106 -5.699 20.322 -12.434 721 HB3 SER 106 2HB SER 106 -6.109 22.037 -12.442 722 HG SER 106 HG SER 106 -3.785 22.332 -11.893 723 H GLY 107 H GLY 107 -3.667 22.548 -9.434 724 HA2 GLY 107 1HA GLY 107 -5.346 24.910 -8.866 725 HA3 GLY 107 2HA GLY 107 -3.964 24.420 -7.899 726 HA PRO 108 HA PRO 108 -2.893 27.318 -11.611 727 HB2 PRO 108 1HB PRO 108 -3.400 29.775 -10.575 728 HB3 PRO 108 2HB PRO 108 -4.586 28.868 -11.521 729 HG2 PRO 108 1HG PRO 108 -4.347 29.150 -8.550 730 HG3 PRO 108 2HG PRO 108 -5.799 29.207 -9.567 731 HD2 PRO 108 1HD PRO 108 -5.088 27.002 -8.165 732 HD3 PRO 108 2HD PRO 108 -5.933 26.912 -9.724 733 H SER 109 H SER 109 -0.737 27.173 -11.456 734 HA SER 109 HA SER 109 0.676 27.675 -9.012 735 HB2 SER 109 1HB SER 109 1.503 26.965 -11.815 736 HB3 SER 109 2HB SER 109 2.706 27.427 -10.610 737 HG SER 109 HG SER 109 0.795 25.362 -10.245 738 H SER 110 H SER 110 0.772 29.716 -8.304 739 HA SER 110 HA SER 110 0.787 31.994 -9.999 740 HB2 SER 110 1HB SER 110 1.511 31.742 -7.069 741 HB3 SER 110 2HB SER 110 1.239 33.262 -7.921 742 HG SER 110 HG SER 110 -0.885 32.033 -8.466 743 H GLY 111 H GLY 111 2.518 31.653 -11.450 744 HA2 GLY 111 1HA GLY 111 5.203 31.910 -10.247 745 HA3 GLY 111 2HA GLY 111 4.880 31.158 -11.802 Start of MODEL 19 1 H1 GLY 1 H GLY 1 8.784 -26.265 -16.769 2 HA2 GLY 1 1HA GLY 1 7.628 -28.960 -16.563 3 HA3 GLY 1 2HA GLY 1 7.961 -27.884 -15.215 4 H SER 2 H SER 2 5.589 -29.098 -17.237 5 HA SER 2 HA SER 2 3.806 -26.845 -17.180 6 HB2 SER 2 1HB SER 2 2.150 -28.437 -18.113 7 HB3 SER 2 2HB SER 2 3.668 -28.451 -19.012 8 HG SER 2 HG SER 2 2.566 -30.541 -18.239 9 H SER 3 H SER 3 3.897 -30.010 -15.554 10 HA SER 3 HA SER 3 1.770 -29.187 -13.749 11 HB2 SER 3 1HB SER 3 1.996 -31.508 -12.850 12 HB3 SER 3 2HB SER 3 1.666 -31.458 -14.582 13 HG SER 3 HG SER 3 3.681 -32.106 -15.006 14 H GLY 4 H GLY 4 5.187 -30.143 -13.573 15 HA2 GLY 4 1HA GLY 4 5.578 -30.022 -10.840 16 HA3 GLY 4 2HA GLY 4 6.809 -29.628 -12.031 17 H SER 5 H SER 5 6.643 -28.388 -9.527 18 HA SER 5 HA SER 5 6.528 -25.636 -10.351 19 HB2 SER 5 1HB SER 5 4.163 -26.024 -9.808 20 HB3 SER 5 2HB SER 5 4.621 -26.604 -8.207 21 HG SER 5 HG SER 5 5.729 -24.377 -8.173 22 H SER 6 H SER 6 7.721 -24.291 -9.031 23 HA SER 6 HA SER 6 8.606 -25.111 -6.427 24 HB2 SER 6 1HB SER 6 11.052 -25.081 -7.068 25 HB3 SER 6 2HB SER 6 10.148 -26.481 -7.646 26 HG SER 6 HG SER 6 9.876 -25.116 -9.633 27 H GLY 7 H GLY 7 8.319 -23.232 -5.414 28 HA2 GLY 7 1HA GLY 7 9.777 -20.894 -6.398 29 HA3 GLY 7 2HA GLY 7 8.041 -20.728 -6.179 30 H ALA 8 H ALA 8 11.103 -20.715 -4.666 31 HA ALA 8 HA ALA 8 10.376 -21.190 -1.992 32 HB1 ALA 8 1HB ALA 8 12.628 -21.221 -2.124 33 HB2 ALA 8 2HB ALA 8 12.680 -19.992 -3.389 34 HB3 ALA 8 3HB ALA 8 12.460 -19.515 -1.706 35 H GLY 9 H GLY 9 9.364 -19.985 -0.507 36 HA2 GLY 9 1HA GLY 9 9.442 -17.281 -0.103 37 HA3 GLY 9 2HA GLY 9 8.164 -17.497 -1.290 38 H ASP 10 H ASP 10 7.642 -16.399 1.187 39 HA ASP 10 HA ASP 10 5.662 -18.253 2.170 40 HB2 ASP 10 1HB ASP 10 8.011 -17.411 3.857 41 HB3 ASP 10 2HB ASP 10 6.475 -17.881 4.581 42 HA PRO 11 HA PRO 11 3.928 -14.101 2.266 43 HB2 PRO 11 1HB PRO 11 1.351 -14.940 2.425 44 HB3 PRO 11 2HB PRO 11 2.256 -14.898 0.907 45 HG2 PRO 11 1HG PRO 11 1.706 -17.215 2.722 46 HG3 PRO 11 2HG PRO 11 1.641 -17.140 0.951 47 HD2 PRO 11 1HD PRO 11 3.746 -18.196 2.288 48 HD3 PRO 11 2HD PRO 11 3.925 -17.360 0.732 49 H GLY 12 H GLY 12 3.038 -16.777 4.423 50 HA2 GLY 12 1HA GLY 12 1.736 -15.314 6.409 51 HA3 GLY 12 2HA GLY 12 2.594 -16.825 6.674 52 H LEU 13 H LEU 13 5.066 -15.355 5.580 53 HA LEU 13 HA LEU 13 5.843 -14.244 8.176 54 HB2 LEU 13 1HB LEU 13 7.619 -14.924 5.843 55 HB3 LEU 13 2HB LEU 13 8.112 -14.588 7.501 56 HG LEU 13 HG LEU 13 6.672 -17.032 6.482 57 HD11 LEU 13 1HD1 LEU 13 9.415 -16.538 7.614 58 HD12 LEU 13 2HD1 LEU 13 8.993 -17.163 6.020 59 HD13 LEU 13 3HD1 LEU 13 8.704 -18.144 7.456 60 HD21 LEU 13 1HD2 LEU 13 5.852 -16.209 8.715 61 HD22 LEU 13 2HD2 LEU 13 7.487 -16.469 9.325 62 HD23 LEU 13 3HD2 LEU 13 6.546 -17.830 8.712 63 H VAL 14 H VAL 14 4.294 -12.889 5.924 64 HA VAL 14 HA VAL 14 6.077 -10.561 5.616 65 HB VAL 14 HB VAL 14 3.829 -11.435 3.797 66 HG11 VAL 14 1HG1 VAL 14 4.963 -8.867 4.222 67 HG12 VAL 14 2HG1 VAL 14 5.478 -9.441 2.635 68 HG13 VAL 14 3HG1 VAL 14 3.760 -9.355 3.029 69 HG21 VAL 14 1HG2 VAL 14 5.471 -12.813 3.077 70 HG22 VAL 14 2HG2 VAL 14 6.013 -11.362 2.234 71 HG23 VAL 14 3HG2 VAL 14 6.756 -11.820 3.766 72 H SER 15 H SER 15 5.390 -8.627 6.336 73 HA SER 15 HA SER 15 2.569 -8.221 6.956 74 HB2 SER 15 1HB SER 15 3.087 -7.417 9.239 75 HB3 SER 15 2HB SER 15 3.479 -9.124 9.037 76 HG SER 15 HG SER 15 5.474 -7.225 8.543 77 H ALA 16 H ALA 16 1.940 -6.060 7.024 78 HA ALA 16 HA ALA 16 4.011 -4.119 6.223 79 HB1 ALA 16 1HB ALA 16 2.405 -4.835 4.402 80 HB2 ALA 16 2HB ALA 16 1.147 -4.000 5.315 81 HB3 ALA 16 3HB ALA 16 2.531 -3.100 4.694 82 H TYR 17 H TYR 17 4.083 -2.232 7.306 83 HA TYR 17 HA TYR 17 1.844 -1.540 9.076 84 HB2 TYR 17 1HB TYR 17 3.500 -0.894 10.834 85 HB3 TYR 17 2HB TYR 17 3.441 -2.624 10.516 86 HD1 TYR 17 1HD TYR 17 5.363 0.453 9.691 87 HD2 TYR 17 2HD TYR 17 5.394 -3.791 9.982 88 HE1 TYR 17 1HE TYR 17 7.791 0.450 9.297 89 HE2 TYR 17 2HE TYR 17 7.822 -3.806 9.590 90 HH TYR 17 HH TYR 17 9.696 -0.879 9.555 91 H GLY 18 H GLY 18 1.558 0.662 9.470 92 HA2 GLY 18 1HA GLY 18 3.065 2.827 9.135 93 HA3 GLY 18 2HA GLY 18 2.773 2.387 7.459 94 HA PRO 19 HA PRO 19 -0.729 5.007 9.323 95 HB2 PRO 19 1HB PRO 19 -0.174 7.343 8.055 96 HB3 PRO 19 2HB PRO 19 0.478 6.935 9.647 97 HG2 PRO 19 1HG PRO 19 1.777 6.729 6.957 98 HG3 PRO 19 2HG PRO 19 2.455 7.321 8.485 99 HD2 PRO 19 1HD PRO 19 2.955 4.835 7.536 100 HD3 PRO 19 2HD PRO 19 2.867 5.195 9.272 101 H GLY 20 H GLY 20 0.655 4.407 6.195 102 HA2 GLY 20 1HA GLY 20 -1.535 5.386 4.643 103 HA3 GLY 20 2HA GLY 20 -0.255 4.322 4.079 104 H LEU 21 H LEU 21 -0.863 2.380 6.264 105 HA LEU 21 HA LEU 21 -2.878 0.904 4.817 106 HB2 LEU 21 1HB LEU 21 -1.494 0.128 7.375 107 HB3 LEU 21 2HB LEU 21 -2.319 -0.936 6.237 108 HG LEU 21 HG LEU 21 0.107 0.617 5.405 109 HD11 LEU 21 1HD1 LEU 21 -0.020 -1.568 7.329 110 HD12 LEU 21 2HD1 LEU 21 1.307 -0.474 6.937 111 HD13 LEU 21 3HD1 LEU 21 1.025 -1.908 5.949 112 HD21 LEU 21 1HD2 LEU 21 0.296 -1.561 4.015 113 HD22 LEU 21 2HD2 LEU 21 -0.891 -0.342 3.549 114 HD23 LEU 21 3HD2 LEU 21 -1.403 -1.778 4.438 115 H GLU 22 H GLU 22 -2.574 2.536 7.917 116 HA GLU 22 HA GLU 22 -5.214 1.672 8.764 117 HB2 GLU 22 1HB GLU 22 -2.975 3.203 10.017 118 HB3 GLU 22 2HB GLU 22 -4.596 3.389 10.671 119 HG2 GLU 22 1HG GLU 22 -4.695 0.901 10.903 120 HG3 GLU 22 2HG GLU 22 -2.989 0.858 10.460 121 H GLY 23 H GLY 23 -3.766 4.314 7.118 122 HA2 GLY 23 1HA GLY 23 -5.248 5.769 5.853 123 HA3 GLY 23 2HA GLY 23 -6.343 5.748 7.227 124 H GLY 24 H GLY 24 -5.972 8.163 6.498 125 HA2 GLY 24 1HA GLY 24 -4.508 9.383 8.624 126 HA3 GLY 24 2HA GLY 24 -3.683 9.583 7.085 127 H THR 25 H THR 25 -4.087 11.462 6.153 128 HA THR 25 HA THR 25 -6.812 12.556 6.298 129 HB THR 25 HB THR 25 -4.245 14.051 6.832 130 HG1 THR 25 1HG THR 25 -4.971 13.573 8.777 131 HG21 THR 25 1HG2 THR 25 -5.405 15.497 5.373 132 HG22 THR 25 2HG2 THR 25 -5.808 16.061 6.995 133 HG23 THR 25 3HG2 THR 25 -6.967 15.093 6.084 134 H THR 26 H THR 26 -7.402 13.940 4.559 135 HA THR 26 HA THR 26 -6.479 13.105 2.038 136 HB THR 26 HB THR 26 -7.812 15.062 1.158 137 HG1 THR 26 1HG THR 26 -9.195 15.977 2.929 138 HG21 THR 26 1HG2 THR 26 -9.522 13.608 3.121 139 HG22 THR 26 2HG2 THR 26 -8.663 12.677 1.893 140 HG23 THR 26 3HG2 THR 26 -9.800 13.937 1.412 141 H GLY 27 H GLY 27 -5.391 14.292 0.389 142 HA2 GLY 27 1HA GLY 27 -3.617 15.519 -0.397 143 HA3 GLY 27 2HA GLY 27 -4.233 16.802 0.635 144 H VAL 28 H VAL 28 -3.092 13.711 1.837 145 HA VAL 28 HA VAL 28 -0.655 15.018 2.840 146 HB VAL 28 HB VAL 28 -2.494 13.252 4.462 147 HG11 VAL 28 1HG1 VAL 28 0.229 14.386 5.044 148 HG12 VAL 28 2HG1 VAL 28 -0.873 13.856 6.316 149 HG13 VAL 28 3HG1 VAL 28 -0.294 12.703 5.112 150 HG21 VAL 28 1HG2 VAL 28 -1.855 15.817 5.605 151 HG22 VAL 28 2HG2 VAL 28 -2.576 16.009 4.007 152 HG23 VAL 28 3HG2 VAL 28 -3.431 15.107 5.258 153 H SER 29 H SER 29 1.088 13.934 2.233 154 HA SER 29 HA SER 29 1.133 11.571 0.822 155 HB2 SER 29 1HB SER 29 3.547 11.455 1.380 156 HB3 SER 29 2HB SER 29 3.050 13.076 0.895 157 HG SER 29 HG SER 29 4.318 13.220 2.739 158 H SER 30 H SER 30 0.621 9.565 1.356 159 HA SER 30 HA SER 30 1.120 8.665 4.116 160 HB2 SER 30 1HB SER 30 -1.162 7.594 2.477 161 HB3 SER 30 2HB SER 30 -0.943 7.556 4.226 162 HG SER 30 HG SER 30 -1.383 9.743 4.307 163 H GLU 31 H GLU 31 2.464 7.002 4.233 164 HA GLU 31 HA GLU 31 2.562 5.093 1.999 165 HB2 GLU 31 1HB GLU 31 5.034 4.962 2.300 166 HB3 GLU 31 2HB GLU 31 4.475 6.516 1.695 167 HG2 GLU 31 1HG GLU 31 5.093 5.976 4.587 168 HG3 GLU 31 2HG GLU 31 6.256 6.634 3.438 169 H PHE 32 H PHE 32 4.212 3.227 2.824 170 HA PHE 32 HA PHE 32 4.011 2.566 5.591 171 HB2 PHE 32 1HB PHE 32 2.575 0.541 5.268 172 HB3 PHE 32 2HB PHE 32 1.716 2.065 5.070 173 HD1 PHE 32 1HD PHE 32 3.361 -0.663 3.170 174 HD2 PHE 32 2HD PHE 32 0.525 2.511 3.120 175 HE1 PHE 32 1HE PHE 32 2.586 -1.395 0.952 176 HE2 PHE 32 2HE PHE 32 -0.255 1.783 0.903 177 HZ PHE 32 HZ PHE 32 0.774 -0.173 -0.183 178 H ILE 33 H ILE 33 5.316 0.842 6.151 179 HA ILE 33 HA ILE 33 7.086 -0.094 4.022 180 HB ILE 33 HB ILE 33 7.342 -0.210 7.027 181 HG12 ILE 33 1HG1 ILE 33 8.928 1.287 4.929 182 HG13 ILE 33 2HG1 ILE 33 7.706 1.999 5.977 183 HG21 ILE 33 1HG2 ILE 33 9.562 -1.152 6.678 184 HG22 ILE 33 2HG2 ILE 33 8.318 -2.211 6.016 185 HG23 ILE 33 3HG2 ILE 33 9.279 -1.200 4.938 186 HD11 ILE 33 1HD1 ILE 33 9.764 2.549 6.943 187 HD12 ILE 33 2HD1 ILE 33 9.141 1.216 7.917 188 HD13 ILE 33 3HD1 ILE 33 10.401 0.920 6.719 189 H VAL 34 H VAL 34 7.313 -2.196 3.442 190 HA VAL 34 HA VAL 34 5.472 -4.119 4.705 191 HB VAL 34 HB VAL 34 6.603 -4.240 1.907 192 HG11 VAL 34 1HG1 VAL 34 5.926 -6.384 3.107 193 HG12 VAL 34 2HG1 VAL 34 4.271 -5.778 3.014 194 HG13 VAL 34 3HG1 VAL 34 5.187 -6.077 1.536 195 HG21 VAL 34 1HG2 VAL 34 5.089 -2.327 2.191 196 HG22 VAL 34 2HG2 VAL 34 4.399 -3.561 1.136 197 HG23 VAL 34 3HG2 VAL 34 3.842 -3.415 2.803 198 H ASN 35 H ASN 35 6.648 -5.222 6.166 199 HA ASN 35 HA ASN 35 9.403 -5.840 5.854 200 HB2 ASN 35 1HB ASN 35 8.565 -5.671 8.078 201 HB3 ASN 35 2HB ASN 35 7.283 -6.836 7.758 202 HD21 ASN 35 1HD2 ASN 35 10.792 -6.498 7.928 203 HD22 ASN 35 2HD2 ASN 35 11.099 -8.111 8.466 204 H THR 36 H THR 36 9.967 -7.080 4.158 205 HA THR 36 HA THR 36 8.582 -9.662 3.833 206 HB THR 36 HB THR 36 9.548 -9.591 1.470 207 HG1 THR 36 1HG THR 36 10.943 -7.945 1.386 208 HG21 THR 36 1HG2 THR 36 7.744 -7.411 1.245 209 HG22 THR 36 2HG2 THR 36 7.201 -8.423 2.583 210 HG23 THR 36 3HG2 THR 36 7.426 -9.125 0.982 211 H LEU 37 H LEU 37 11.162 -8.534 5.282 212 HA LEU 37 HA LEU 37 13.337 -9.962 4.169 213 HB2 LEU 37 1HB LEU 37 12.974 -9.125 7.039 214 HB3 LEU 37 2HB LEU 37 14.495 -9.481 6.222 215 HG LEU 37 HG LEU 37 12.755 -7.223 5.295 216 HD11 LEU 37 1HD1 LEU 37 13.750 -7.381 7.885 217 HD12 LEU 37 2HD1 LEU 37 13.210 -5.930 7.042 218 HD13 LEU 37 3HD1 LEU 37 14.914 -6.382 7.015 219 HD21 LEU 37 1HD2 LEU 37 15.077 -6.336 4.738 220 HD22 LEU 37 2HD2 LEU 37 14.488 -7.699 3.785 221 HD23 LEU 37 3HD2 LEU 37 15.657 -7.967 5.079 222 H ASN 38 H ASN 38 11.230 -10.666 6.953 223 HA ASN 38 HA ASN 38 12.301 -13.064 7.763 224 HB2 ASN 38 1HB ASN 38 9.538 -11.926 7.816 225 HB3 ASN 38 2HB ASN 38 9.761 -13.613 8.271 226 HD21 ASN 38 1HD2 ASN 38 11.614 -10.636 8.819 227 HD22 ASN 38 2HD2 ASN 38 11.700 -10.806 10.536 228 H ALA 39 H ALA 39 10.329 -12.398 4.961 229 HA ALA 39 HA ALA 39 9.723 -15.126 4.360 230 HB1 ALA 39 1HB ALA 39 9.632 -13.478 2.026 231 HB2 ALA 39 2HB ALA 39 8.300 -14.181 2.944 232 HB3 ALA 39 3HB ALA 39 8.942 -12.601 3.391 233 H GLY 40 H GLY 40 11.805 -12.772 2.654 234 HA2 GLY 40 1HA GLY 40 14.183 -13.718 2.407 235 HA3 GLY 40 2HA GLY 40 13.355 -15.050 1.614 236 H SER 41 H SER 41 12.314 -14.676 -0.401 237 HA SER 41 HA SER 41 12.692 -12.124 -1.714 238 HB2 SER 41 1HB SER 41 14.080 -14.605 -2.759 239 HB3 SER 41 2HB SER 41 14.010 -13.044 -3.576 240 HG SER 41 HG SER 41 15.345 -13.721 -1.180 241 H GLY 42 H GLY 42 11.289 -11.806 -3.396 242 HA2 GLY 42 1HA GLY 42 10.060 -13.705 -4.988 243 HA3 GLY 42 2HA GLY 42 9.043 -13.547 -3.564 244 H ALA 43 H ALA 43 7.634 -12.919 -5.550 245 HA ALA 43 HA ALA 43 7.985 -10.144 -6.353 246 HB1 ALA 43 1HB ALA 43 6.160 -10.526 -7.881 247 HB2 ALA 43 2HB ALA 43 7.316 -11.852 -8.009 248 HB3 ALA 43 3HB ALA 43 5.807 -12.080 -7.125 249 H LEU 44 H LEU 44 6.379 -8.534 -6.039 250 HA LEU 44 HA LEU 44 4.453 -9.087 -3.887 251 HB2 LEU 44 1HB LEU 44 6.202 -7.977 -2.771 252 HB3 LEU 44 2HB LEU 44 6.424 -6.832 -4.092 253 HG LEU 44 HG LEU 44 4.075 -5.982 -3.476 254 HD11 LEU 44 1HD1 LEU 44 3.017 -6.808 -1.706 255 HD12 LEU 44 2HD1 LEU 44 4.458 -6.679 -0.699 256 HD13 LEU 44 3HD1 LEU 44 4.206 -8.111 -1.697 257 HD21 LEU 44 1HD2 LEU 44 6.686 -5.489 -2.255 258 HD22 LEU 44 2HD2 LEU 44 5.323 -4.942 -1.278 259 HD23 LEU 44 3HD2 LEU 44 5.515 -4.357 -2.931 260 H SER 45 H SER 45 2.511 -7.991 -3.997 261 HA SER 45 HA SER 45 2.106 -6.274 -6.355 262 HB2 SER 45 1HB SER 45 0.252 -8.445 -5.346 263 HB3 SER 45 2HB SER 45 -0.140 -7.301 -6.630 264 HG SER 45 HG SER 45 1.009 -9.591 -6.941 265 H VAL 46 H VAL 46 1.842 -4.311 -5.482 266 HA VAL 46 HA VAL 46 -0.009 -4.041 -3.205 267 HB VAL 46 HB VAL 46 2.171 -2.123 -4.038 268 HG11 VAL 46 1HG1 VAL 46 0.504 -2.163 -1.527 269 HG12 VAL 46 2HG1 VAL 46 1.692 -0.947 -2.001 270 HG13 VAL 46 3HG1 VAL 46 0.192 -1.119 -2.913 271 HG21 VAL 46 1HG2 VAL 46 3.055 -2.932 -1.708 272 HG22 VAL 46 2HG2 VAL 46 2.102 -4.369 -2.076 273 HG23 VAL 46 3HG2 VAL 46 3.394 -3.865 -3.166 274 H THR 47 H THR 47 -1.809 -2.868 -3.454 275 HA THR 47 HA THR 47 -2.004 -0.883 -5.571 276 HB THR 47 HB THR 47 -2.812 -2.597 -6.906 277 HG1 THR 47 1HG THR 47 -5.160 -1.773 -5.516 278 HG21 THR 47 1HG2 THR 47 -2.787 -4.258 -4.982 279 HG22 THR 47 2HG2 THR 47 -4.040 -4.493 -6.201 280 HG23 THR 47 3HG2 THR 47 -4.442 -3.750 -4.653 281 H ILE 48 H ILE 48 -4.217 0.204 -5.492 282 HA ILE 48 HA ILE 48 -5.320 0.203 -2.770 283 HB ILE 48 HB ILE 48 -4.624 2.703 -4.316 284 HG12 ILE 48 1HG1 ILE 48 -3.406 1.701 -1.739 285 HG13 ILE 48 2HG1 ILE 48 -2.683 1.424 -3.320 286 HG21 ILE 48 1HG2 ILE 48 -5.307 3.884 -2.286 287 HG22 ILE 48 2HG2 ILE 48 -6.637 2.946 -2.965 288 HG23 ILE 48 3HG2 ILE 48 -5.770 2.350 -1.549 289 HD11 ILE 48 1HD1 ILE 48 -2.121 3.638 -3.596 290 HD12 ILE 48 2HD1 ILE 48 -3.342 4.199 -2.452 291 HD13 ILE 48 3HD1 ILE 48 -1.882 3.405 -1.864 292 H ASP 49 H ASP 49 -7.465 1.066 -2.600 293 HA ASP 49 HA ASP 49 -8.911 1.506 -5.097 294 HB2 ASP 49 1HB ASP 49 -8.920 -0.995 -4.315 295 HB3 ASP 49 2HB ASP 49 -10.091 -0.423 -3.130 296 H GLY 50 H GLY 50 -9.656 3.502 -4.688 297 HA2 GLY 50 1HA GLY 50 -11.333 3.840 -2.293 298 HA3 GLY 50 2HA GLY 50 -10.093 5.032 -2.655 299 HA PRO 51 HA PRO 51 -14.139 6.259 -4.655 300 HB2 PRO 51 1HB PRO 51 -14.271 8.718 -3.513 301 HB3 PRO 51 2HB PRO 51 -14.942 7.270 -2.754 302 HG2 PRO 51 1HG PRO 51 -12.337 8.649 -2.231 303 HG3 PRO 51 2HG PRO 51 -13.500 7.978 -1.073 304 HD2 PRO 51 1HD PRO 51 -11.239 6.672 -1.790 305 HD3 PRO 51 2HD PRO 51 -12.739 5.822 -1.366 306 H SER 52 H SER 52 -10.927 7.427 -4.431 307 HA SER 52 HA SER 52 -11.214 8.744 -7.021 308 HB2 SER 52 1HB SER 52 -10.226 10.784 -6.370 309 HB3 SER 52 2HB SER 52 -11.390 10.441 -5.090 310 HG SER 52 HG SER 52 -9.396 9.337 -4.116 311 H LYS 53 H LYS 53 -9.630 8.170 -8.355 312 HA LYS 53 HA LYS 53 -7.733 6.265 -7.828 313 HB2 LYS 53 1HB LYS 53 -7.935 8.411 -9.903 314 HB3 LYS 53 2HB LYS 53 -6.469 7.443 -9.816 315 HG2 LYS 53 1HG LYS 53 -8.021 5.414 -9.917 316 HG3 LYS 53 2HG LYS 53 -9.265 6.558 -10.429 317 HD2 LYS 53 1HD LYS 53 -6.619 6.563 -11.811 318 HD3 LYS 53 2HD LYS 53 -7.793 5.303 -12.200 319 HE2 LYS 53 1HE LYS 53 -9.419 6.932 -12.857 320 HE3 LYS 53 2HE LYS 53 -8.410 8.252 -12.266 321 HZ1 LYS 53 1HZ LYS 53 -6.745 7.594 -13.959 322 HZ2 LYS 53 2HZ LYS 53 -8.202 8.139 -14.622 323 HZ3 LYS 53 3HZ LYS 53 -7.858 6.483 -14.584 324 H VAL 54 H VAL 54 -5.918 6.195 -6.685 325 HA VAL 54 HA VAL 54 -4.708 8.729 -5.820 326 HB VAL 54 HB VAL 54 -3.663 7.472 -4.018 327 HG11 VAL 54 1HG1 VAL 54 -5.914 6.513 -3.024 328 HG12 VAL 54 2HG1 VAL 54 -5.664 8.248 -3.230 329 HG13 VAL 54 3HG1 VAL 54 -6.607 7.344 -4.416 330 HG21 VAL 54 1HG2 VAL 54 -3.184 5.351 -4.760 331 HG22 VAL 54 2HG2 VAL 54 -4.603 5.036 -3.761 332 HG23 VAL 54 3HG2 VAL 54 -4.764 5.139 -5.514 333 H GLN 55 H GLN 55 -2.480 9.068 -5.959 334 HA GLN 55 HA GLN 55 -1.158 7.461 -8.023 335 HB2 GLN 55 1HB GLN 55 -1.420 10.010 -8.187 336 HB3 GLN 55 2HB GLN 55 -0.181 10.095 -6.942 337 HG2 GLN 55 1HG GLN 55 1.234 8.653 -8.500 338 HG3 GLN 55 2HG GLN 55 0.051 9.059 -9.743 339 HE21 GLN 55 1HE2 GLN 55 1.342 10.291 -11.013 340 HE22 GLN 55 2HE2 GLN 55 2.030 11.796 -10.518 341 H LEU 56 H LEU 56 -0.363 5.732 -6.867 342 HA LEU 56 HA LEU 56 1.215 6.184 -4.476 343 HB2 LEU 56 1HB LEU 56 1.167 3.896 -4.148 344 HB3 LEU 56 2HB LEU 56 -0.378 4.216 -4.932 345 HG LEU 56 HG LEU 56 1.965 3.357 -6.577 346 HD11 LEU 56 1HD1 LEU 56 0.975 1.847 -4.414 347 HD12 LEU 56 2HD1 LEU 56 2.079 1.332 -5.688 348 HD13 LEU 56 3HD1 LEU 56 0.341 1.114 -5.888 349 HD21 LEU 56 1HD2 LEU 56 0.234 3.844 -7.986 350 HD22 LEU 56 2HD2 LEU 56 -1.000 3.421 -6.799 351 HD23 LEU 56 3HD2 LEU 56 -0.122 2.149 -7.651 352 H ASP 57 H ASP 57 3.406 5.413 -4.258 353 HA ASP 57 HA ASP 57 4.899 5.169 -6.770 354 HB2 ASP 57 1HB ASP 57 4.856 7.561 -5.645 355 HB3 ASP 57 2HB ASP 57 6.068 6.843 -4.587 356 H CYS 58 H CYS 58 5.866 3.258 -6.653 357 HA CYS 58 HA CYS 58 6.513 2.035 -4.129 358 HB2 CYS 58 1HB CYS 58 5.701 0.619 -5.909 359 HB3 CYS 58 2HB CYS 58 6.985 1.159 -6.984 360 HG CYS 58 HG CYS 58 9.016 -0.166 -5.746 361 H ARG 59 H ARG 59 8.465 1.848 -3.172 362 HA ARG 59 HA ARG 59 10.851 2.721 -4.628 363 HB2 ARG 59 1HB ARG 59 9.687 3.980 -2.190 364 HB3 ARG 59 2HB ARG 59 11.438 3.849 -2.290 365 HG2 ARG 59 1HG ARG 59 11.317 5.005 -4.502 366 HG3 ARG 59 2HG ARG 59 9.601 5.280 -4.193 367 HD2 ARG 59 1HD ARG 59 10.189 6.485 -2.130 368 HD3 ARG 59 2HD ARG 59 11.897 6.239 -2.488 369 HE ARG 59 HE ARG 59 10.181 8.217 -3.611 370 HH11 ARG 59 1HH1 ARG 59 12.926 6.185 -4.288 371 HH12 ARG 59 2HH1 ARG 59 13.581 7.248 -5.489 372 HH21 ARG 59 1HH2 ARG 59 11.034 9.625 -5.191 373 HH22 ARG 59 2HH2 ARG 59 12.504 9.204 -6.001 374 H GLU 60 H GLU 60 12.774 2.511 -2.825 375 HA GLU 60 HA GLU 60 12.556 -0.269 -1.887 376 HB2 GLU 60 1HB GLU 60 14.897 1.359 -2.851 377 HB3 GLU 60 2HB GLU 60 15.122 -0.121 -1.929 378 HG2 GLU 60 1HG GLU 60 14.120 -1.437 -3.611 379 HG3 GLU 60 2HG GLU 60 13.502 -0.018 -4.454 380 H CYS 61 H CYS 61 13.024 -0.796 0.193 381 HA CYS 61 HA CYS 61 14.019 1.312 1.974 382 HB2 CYS 61 1HB CYS 61 12.316 0.570 3.681 383 HB3 CYS 61 2HB CYS 61 11.657 1.431 2.295 384 HG CYS 61 HG CYS 61 10.732 -0.883 1.018 385 HA PRO 62 HA PRO 62 16.567 -1.830 3.675 386 HB2 PRO 62 1HB PRO 62 16.822 -0.961 6.234 387 HB3 PRO 62 2HB PRO 62 17.611 -0.166 4.866 388 HG2 PRO 62 1HG PRO 62 15.085 0.579 6.290 389 HG3 PRO 62 2HG PRO 62 16.407 1.623 5.735 390 HD2 PRO 62 1HD PRO 62 14.086 1.358 4.365 391 HD3 PRO 62 2HD PRO 62 15.642 1.648 3.561 392 H GLU 63 H GLU 63 13.358 -1.556 4.437 393 HA GLU 63 HA GLU 63 13.455 -3.834 6.302 394 HB2 GLU 63 1HB GLU 63 11.412 -1.640 5.978 395 HB3 GLU 63 2HB GLU 63 11.091 -3.108 6.889 396 HG2 GLU 63 1HG GLU 63 13.468 -1.408 7.517 397 HG3 GLU 63 2HG GLU 63 11.870 -1.003 8.143 398 H GLY 64 H GLY 64 12.876 -3.033 3.147 399 HA2 GLY 64 1HA GLY 64 12.283 -5.265 1.963 400 HA3 GLY 64 2HA GLY 64 10.751 -5.031 2.791 401 H HIS 65 H HIS 65 9.217 -3.898 1.785 402 HA HIS 65 HA HIS 65 10.020 -2.191 -0.479 403 HB2 HIS 65 1HB HIS 65 7.687 -4.102 -0.295 404 HB3 HIS 65 2HB HIS 65 7.837 -2.874 -1.548 405 HD1 HIS 65 1HD HIS 65 9.451 -3.335 -3.462 406 HD2 HIS 65 2HD HIS 65 9.540 -6.243 -0.496 407 HE1 HIS 65 1HE HIS 65 10.796 -5.232 -4.420 408 HE2 HIS 65 2HE HIS 65 10.764 -7.014 -2.640 409 H VAL 66 H VAL 66 9.199 -0.185 -0.516 410 HA VAL 66 HA VAL 66 7.060 0.458 1.410 411 HB VAL 66 HB VAL 66 9.328 1.362 2.020 412 HG11 VAL 66 1HG1 VAL 66 10.386 3.010 0.763 413 HG12 VAL 66 2HG1 VAL 66 9.846 1.853 -0.456 414 HG13 VAL 66 3HG1 VAL 66 8.942 3.345 -0.192 415 HG21 VAL 66 1HG2 VAL 66 7.819 3.814 1.584 416 HG22 VAL 66 2HG2 VAL 66 6.830 2.501 2.224 417 HG23 VAL 66 3HG2 VAL 66 8.276 3.019 3.090 418 H VAL 67 H VAL 67 5.520 1.992 0.797 419 HA VAL 67 HA VAL 67 5.599 2.944 -1.974 420 HB VAL 67 HB VAL 67 3.228 1.515 -0.762 421 HG11 VAL 67 1HG1 VAL 67 2.906 1.876 -3.528 422 HG12 VAL 67 2HG1 VAL 67 1.992 2.640 -2.225 423 HG13 VAL 67 3HG1 VAL 67 3.423 3.434 -2.884 424 HG21 VAL 67 1HG2 VAL 67 3.613 -0.141 -2.544 425 HG22 VAL 67 2HG2 VAL 67 5.083 0.718 -3.006 426 HG23 VAL 67 3HG2 VAL 67 4.968 -0.043 -1.419 427 H THR 68 H THR 68 4.765 4.944 -2.263 428 HA THR 68 HA THR 68 3.407 6.189 0.039 429 HB THR 68 HB THR 68 5.174 7.698 -1.882 430 HG1 THR 68 1HG THR 68 6.404 6.106 -0.723 431 HG21 THR 68 1HG2 THR 68 3.469 8.392 0.339 432 HG22 THR 68 2HG2 THR 68 4.313 9.446 -0.796 433 HG23 THR 68 3HG2 THR 68 5.135 8.873 0.655 434 H TYR 69 H TYR 69 1.559 7.270 -0.358 435 HA TYR 69 HA TYR 69 0.870 7.960 -3.119 436 HB2 TYR 69 1HB TYR 69 -1.244 6.881 -3.054 437 HB3 TYR 69 2HB TYR 69 -0.076 5.687 -2.498 438 HD1 TYR 69 2HD TYR 69 0.018 5.060 -0.117 439 HD2 TYR 69 1HD TYR 69 -2.949 7.728 -1.593 440 HE1 TYR 69 2HE TYR 69 -1.297 4.722 1.934 441 HE2 TYR 69 1HE TYR 69 -4.273 7.398 0.454 442 HH TYR 69 HH TYR 69 -3.374 5.008 2.857 443 H THR 70 H THR 70 -1.087 9.362 -3.222 444 HA THR 70 HA THR 70 -1.432 10.959 -0.773 445 HB THR 70 HB THR 70 -1.191 12.116 -3.556 446 HG1 THR 70 1HG THR 70 0.812 11.301 -2.598 447 HG21 THR 70 1HG2 THR 70 -1.905 14.053 -2.703 448 HG22 THR 70 2HG2 THR 70 -0.816 13.920 -1.322 449 HG23 THR 70 3HG2 THR 70 -2.402 13.150 -1.273 450 HA PRO 71 HA PRO 71 -5.687 10.030 -1.765 451 HB2 PRO 71 1HB PRO 71 -6.736 11.254 0.420 452 HB3 PRO 71 2HB PRO 71 -5.975 9.660 0.485 453 HG2 PRO 71 1HG PRO 71 -4.835 12.332 1.205 454 HG3 PRO 71 2HG PRO 71 -4.688 10.786 2.060 455 HD2 PRO 71 1HD PRO 71 -2.725 11.766 0.474 456 HD3 PRO 71 2HD PRO 71 -3.024 10.025 0.660 457 H MET 72 H MET 72 -7.536 11.198 -2.415 458 HA MET 72 HA MET 72 -7.116 14.093 -2.768 459 HB2 MET 72 1HB MET 72 -8.704 12.483 -4.733 460 HB3 MET 72 2HB MET 72 -7.891 14.025 -4.962 461 HG2 MET 72 1HG MET 72 -5.741 12.943 -4.964 462 HG3 MET 72 2HG MET 72 -6.486 11.392 -4.586 463 HE1 MET 72 1HE MET 72 -6.484 14.355 -6.968 464 HE2 MET 72 2HE MET 72 -6.907 13.684 -8.543 465 HE3 MET 72 3HE MET 72 -8.156 13.917 -7.320 466 H ALA 73 H ALA 73 -9.214 11.535 -1.829 467 HA ALA 73 HA ALA 73 -11.191 13.489 -0.940 468 HB1 ALA 73 1HB ALA 73 -13.043 12.016 -1.789 469 HB2 ALA 73 2HB ALA 73 -12.133 12.877 -3.031 470 HB3 ALA 73 3HB ALA 73 -11.827 11.164 -2.743 471 HA PRO 74 HA PRO 74 -11.226 10.977 2.668 472 HB2 PRO 74 1HB PRO 74 -13.672 11.616 3.659 473 HB3 PRO 74 2HB PRO 74 -12.297 12.726 3.704 474 HG2 PRO 74 1HG PRO 74 -14.591 12.631 1.784 475 HG3 PRO 74 2HG PRO 74 -13.838 14.037 2.558 476 HD2 PRO 74 1HD PRO 74 -13.291 13.312 0.007 477 HD3 PRO 74 2HD PRO 74 -12.087 14.082 1.060 478 H GLY 75 H GLY 75 -11.565 8.861 2.923 479 HA2 GLY 75 1HA GLY 75 -14.000 7.542 2.833 480 HA3 GLY 75 2HA GLY 75 -13.315 7.402 1.220 481 H ASN 76 H ASN 76 -13.434 5.072 1.805 482 HA ASN 76 HA ASN 76 -11.182 4.237 3.501 483 HB2 ASN 76 1HB ASN 76 -13.377 2.438 2.482 484 HB3 ASN 76 2HB ASN 76 -12.281 2.163 3.834 485 HD21 ASN 76 1HD2 ASN 76 -15.074 3.930 2.721 486 HD22 ASN 76 2HD2 ASN 76 -15.656 4.380 4.285 487 H TYR 77 H TYR 77 -9.389 3.956 2.343 488 HA TYR 77 HA TYR 77 -9.558 2.988 -0.404 489 HB2 TYR 77 1HB TYR 77 -7.252 4.064 1.226 490 HB3 TYR 77 2HB TYR 77 -7.092 3.476 -0.425 491 HD1 TYR 77 1HD TYR 77 -8.750 6.050 1.667 492 HD2 TYR 77 2HD TYR 77 -7.617 4.862 -2.258 493 HE1 TYR 77 1HE TYR 77 -9.361 8.278 0.823 494 HE2 TYR 77 2HE TYR 77 -8.223 7.087 -3.113 495 HH TYR 77 HH TYR 77 -10.077 9.260 -1.429 496 H LEU 78 H LEU 78 -9.510 0.878 -0.759 497 HA LEU 78 HA LEU 78 -8.499 -0.959 1.221 498 HB2 LEU 78 1HB LEU 78 -10.540 -1.252 -0.325 499 HB3 LEU 78 2HB LEU 78 -9.360 -1.705 -1.552 500 HG LEU 78 HG LEU 78 -10.246 -3.706 -0.614 501 HD11 LEU 78 1HD1 LEU 78 -7.654 -3.300 -0.870 502 HD12 LEU 78 2HD1 LEU 78 -8.288 -4.803 -0.202 503 HD13 LEU 78 3HD1 LEU 78 -7.679 -3.547 0.876 504 HD21 LEU 78 1HD2 LEU 78 -10.460 -4.181 1.660 505 HD22 LEU 78 2HD2 LEU 78 -10.967 -2.496 1.532 506 HD23 LEU 78 3HD2 LEU 78 -9.355 -2.890 2.131 507 H ILE 79 H ILE 79 -6.461 -1.600 1.352 508 HA ILE 79 HA ILE 79 -4.721 -1.285 -0.992 509 HB ILE 79 HB ILE 79 -4.038 -1.588 1.933 510 HG12 ILE 79 1HG1 ILE 79 -3.390 0.734 0.131 511 HG13 ILE 79 2HG1 ILE 79 -4.936 0.633 0.967 512 HG21 ILE 79 1HG2 ILE 79 -1.697 -0.958 0.945 513 HG22 ILE 79 2HG2 ILE 79 -2.239 -2.635 0.962 514 HG23 ILE 79 3HG2 ILE 79 -2.350 -1.688 -0.522 515 HD11 ILE 79 1HD1 ILE 79 -3.151 1.998 2.090 516 HD12 ILE 79 2HD1 ILE 79 -3.900 0.747 3.083 517 HD13 ILE 79 3HD1 ILE 79 -2.298 0.484 2.393 518 H ALA 80 H ALA 80 -4.337 -3.045 -2.146 519 HA ALA 80 HA ALA 80 -4.627 -5.681 -0.911 520 HB1 ALA 80 1HB ALA 80 -5.515 -4.744 -3.298 521 HB2 ALA 80 2HB ALA 80 -4.021 -5.549 -3.779 522 HB3 ALA 80 3HB ALA 80 -5.271 -6.449 -2.919 523 H ILE 81 H ILE 81 -2.879 -6.649 -0.138 524 HA ILE 81 HA ILE 81 -0.305 -6.208 -1.503 525 HB ILE 81 HB ILE 81 -0.720 -6.628 1.459 526 HG12 ILE 81 1HG1 ILE 81 0.349 -4.174 0.062 527 HG13 ILE 81 2HG1 ILE 81 -1.348 -4.361 0.492 528 HG21 ILE 81 1HG2 ILE 81 1.796 -6.159 -0.134 529 HG22 ILE 81 2HG2 ILE 81 1.696 -6.206 1.625 530 HG23 ILE 81 3HG2 ILE 81 1.336 -7.652 0.682 531 HD11 ILE 81 1HD1 ILE 81 0.897 -3.581 2.125 532 HD12 ILE 81 2HD1 ILE 81 -0.833 -3.443 2.439 533 HD13 ILE 81 3HD1 ILE 81 0.018 -4.937 2.831 534 H LYS 82 H LYS 82 0.297 -8.005 -2.501 535 HA LYS 82 HA LYS 82 -0.204 -10.587 -1.170 536 HB2 LYS 82 1HB LYS 82 -0.172 -10.015 -4.139 537 HB3 LYS 82 2HB LYS 82 -0.369 -11.604 -3.411 538 HG2 LYS 82 1HG LYS 82 -2.401 -10.547 -2.218 539 HG3 LYS 82 2HG LYS 82 -2.275 -9.302 -3.462 540 HD2 LYS 82 1HD LYS 82 -2.165 -11.403 -5.058 541 HD3 LYS 82 2HD LYS 82 -3.000 -12.180 -3.711 542 HE2 LYS 82 1HE LYS 82 -4.677 -11.364 -5.175 543 HE3 LYS 82 2HE LYS 82 -4.650 -10.282 -3.783 544 HZ1 LYS 82 1HZ LYS 82 -2.862 -9.330 -5.735 545 HZ2 LYS 82 2HZ LYS 82 -4.254 -8.586 -5.126 546 HZ3 LYS 82 3HZ LYS 82 -4.361 -9.613 -6.467 547 H TYR 83 H TYR 83 1.349 -12.293 -1.708 548 HA TYR 83 HA TYR 83 3.873 -11.552 -2.874 549 HB2 TYR 83 1HB TYR 83 3.906 -10.658 -0.479 550 HB3 TYR 83 2HB TYR 83 3.919 -12.341 0.036 551 HD1 TYR 83 2HD TYR 83 5.797 -9.845 -1.973 552 HD2 TYR 83 1HD TYR 83 5.927 -13.557 0.102 553 HE1 TYR 83 2HE TYR 83 8.242 -9.898 -2.232 554 HE2 TYR 83 1HE TYR 83 8.372 -13.620 -0.151 555 HH TYR 83 HH TYR 83 10.212 -12.251 -0.601 556 H GLY 84 H GLY 84 5.147 -13.322 -3.396 557 HA2 GLY 84 1HA GLY 84 5.271 -15.500 -4.206 558 HA3 GLY 84 2HA GLY 84 5.289 -15.830 -2.480 559 H GLY 85 H GLY 85 2.680 -14.732 -4.640 560 HA2 GLY 85 1HA GLY 85 1.265 -16.934 -5.177 561 HA3 GLY 85 2HA GLY 85 0.916 -16.726 -3.467 562 HA PRO 86 HA PRO 86 -1.650 -13.879 -6.388 563 HB2 PRO 86 1HB PRO 86 -3.763 -15.481 -6.971 564 HB3 PRO 86 2HB PRO 86 -2.328 -15.371 -7.998 565 HG2 PRO 86 1HG PRO 86 -3.045 -17.444 -5.960 566 HG3 PRO 86 2HG PRO 86 -2.353 -17.658 -7.579 567 HD2 PRO 86 1HD PRO 86 -0.852 -17.756 -5.328 568 HD3 PRO 86 2HD PRO 86 -0.220 -17.149 -6.871 569 H GLN 87 H GLN 87 -1.800 -15.516 -3.527 570 HA GLN 87 HA GLN 87 -4.457 -14.562 -2.776 571 HB2 GLN 87 1HB GLN 87 -2.483 -16.454 -1.553 572 HB3 GLN 87 2HB GLN 87 -3.730 -15.727 -0.548 573 HG2 GLN 87 1HG GLN 87 -4.175 -17.408 -3.005 574 HG3 GLN 87 2HG GLN 87 -4.421 -17.908 -1.332 575 HE21 GLN 87 1HE2 GLN 87 -5.686 -16.155 -4.012 576 HE22 GLN 87 2HE2 GLN 87 -7.223 -15.779 -3.320 577 H HIS 88 H HIS 88 -4.492 -13.733 -0.372 578 HA HIS 88 HA HIS 88 -2.748 -11.399 -0.334 579 HB2 HIS 88 1HB HIS 88 -5.256 -12.138 1.164 580 HB3 HIS 88 2HB HIS 88 -4.285 -10.736 1.606 581 HD1 HIS 88 1HD HIS 88 -5.423 -8.723 0.751 582 HD2 HIS 88 2HD HIS 88 -5.625 -11.869 -1.956 583 HE1 HIS 88 1HE HIS 88 -6.601 -7.797 -1.269 584 HE2 HIS 88 2HE HIS 88 -6.788 -9.742 -2.859 585 H ILE 89 H ILE 89 -1.426 -10.836 1.395 586 HA ILE 89 HA ILE 89 -0.318 -13.057 2.845 587 HB ILE 89 HB ILE 89 1.283 -11.441 3.742 588 HG12 ILE 89 1HG1 ILE 89 0.097 -9.250 2.096 589 HG13 ILE 89 2HG1 ILE 89 -0.618 -9.594 3.668 590 HG21 ILE 89 1HG2 ILE 89 2.348 -11.884 1.844 591 HG22 ILE 89 2HG2 ILE 89 0.829 -11.980 0.956 592 HG23 ILE 89 3HG2 ILE 89 1.633 -10.424 1.161 593 HD11 ILE 89 1HD1 ILE 89 0.902 -8.169 4.450 594 HD12 ILE 89 2HD1 ILE 89 2.045 -9.498 4.254 595 HD13 ILE 89 3HD1 ILE 89 1.890 -8.276 2.992 596 H VAL 90 H VAL 90 -0.057 -13.139 5.152 597 HA VAL 90 HA VAL 90 -2.311 -13.042 6.652 598 HB VAL 90 HB VAL 90 -0.387 -14.120 7.551 599 HG11 VAL 90 1HG1 VAL 90 1.683 -13.262 7.639 600 HG12 VAL 90 2HG1 VAL 90 1.043 -12.013 6.569 601 HG13 VAL 90 3HG1 VAL 90 1.123 -11.730 8.309 602 HG21 VAL 90 1HG2 VAL 90 -0.900 -11.744 9.331 603 HG22 VAL 90 2HG2 VAL 90 -2.018 -13.096 9.152 604 HG23 VAL 90 3HG2 VAL 90 -0.408 -13.366 9.818 605 H GLY 91 H GLY 91 -3.681 -11.433 7.039 606 HA2 GLY 91 1HA GLY 91 -4.076 -9.437 8.381 607 HA3 GLY 91 2HA GLY 91 -2.556 -8.802 7.769 608 H SER 92 H SER 92 -2.847 -9.378 5.056 609 HA SER 92 HA SER 92 -4.481 -7.191 4.246 610 HB2 SER 92 1HB SER 92 -2.796 -9.219 2.814 611 HB3 SER 92 2HB SER 92 -3.892 -8.187 1.894 612 HG SER 92 HG SER 92 -2.815 -6.390 2.677 613 HA PRO 93 HA PRO 93 -5.258 -6.745 1.978 614 HB2 PRO 93 1HB PRO 93 -7.631 -5.469 1.652 615 HB3 PRO 93 2HB PRO 93 -7.050 -6.714 0.541 616 HG2 PRO 93 1HG PRO 93 -9.020 -6.946 2.783 617 HG3 PRO 93 2HG PRO 93 -9.094 -7.639 1.153 618 HD2 PRO 93 1HD PRO 93 -8.346 -9.084 3.317 619 HD3 PRO 93 2HD PRO 93 -7.691 -9.385 1.694 620 H PHE 94 H PHE 94 -5.198 -4.491 2.585 621 HA PHE 94 HA PHE 94 -5.854 -4.088 5.425 622 HB2 PHE 94 1HB PHE 94 -3.694 -2.876 3.696 623 HB3 PHE 94 2HB PHE 94 -4.075 -2.297 5.315 624 HD1 PHE 94 2HD PHE 94 -3.932 -3.994 7.230 625 HD2 PHE 94 1HD PHE 94 -2.194 -4.617 3.395 626 HE1 PHE 94 2HE PHE 94 -2.427 -5.686 8.190 627 HE2 PHE 94 1HE PHE 94 -0.687 -6.311 4.349 628 HZ PHE 94 HZ PHE 94 -0.801 -6.847 6.750 629 H LYS 95 H LYS 95 -7.460 -2.745 5.859 630 HA LYS 95 HA LYS 95 -8.435 -0.940 3.790 631 HB2 LYS 95 1HB LYS 95 -9.826 -2.519 5.395 632 HB3 LYS 95 2HB LYS 95 -9.708 -1.143 6.484 633 HG2 LYS 95 1HG LYS 95 -10.960 0.227 5.102 634 HG3 LYS 95 2HG LYS 95 -10.653 -0.765 3.674 635 HD2 LYS 95 1HD LYS 95 -11.938 -2.579 5.124 636 HD3 LYS 95 2HD LYS 95 -12.632 -1.132 5.861 637 HE2 LYS 95 1HE LYS 95 -12.526 -1.293 2.893 638 HE3 LYS 95 2HE LYS 95 -13.720 -2.277 3.738 639 HZ1 LYS 95 1HZ LYS 95 -14.570 -0.083 3.082 640 HZ2 LYS 95 2HZ LYS 95 -13.417 0.657 4.072 641 HZ3 LYS 95 3HZ LYS 95 -14.620 -0.315 4.757 642 H ALA 96 H ALA 96 -8.123 1.195 3.788 643 HA ALA 96 HA ALA 96 -6.998 2.430 6.218 644 HB1 ALA 96 1HB ALA 96 -6.482 3.483 3.461 645 HB2 ALA 96 2HB ALA 96 -5.563 3.746 4.944 646 HB3 ALA 96 3HB ALA 96 -5.505 2.179 4.136 647 H LYS 97 H LYS 97 -8.169 3.998 7.100 648 HA LYS 97 HA LYS 97 -10.347 5.178 5.518 649 HB2 LYS 97 1HB LYS 97 -11.002 3.997 7.584 650 HB3 LYS 97 2HB LYS 97 -9.983 5.083 8.519 651 HG2 LYS 97 1HG LYS 97 -11.386 6.913 8.142 652 HG3 LYS 97 2HG LYS 97 -12.205 6.120 6.795 653 HD2 LYS 97 1HD LYS 97 -13.738 5.993 8.560 654 HD3 LYS 97 2HD LYS 97 -12.981 4.398 8.528 655 HE2 LYS 97 1HE LYS 97 -11.420 5.183 10.306 656 HE3 LYS 97 2HE LYS 97 -12.350 6.678 10.397 657 HZ1 LYS 97 1HZ LYS 97 -13.006 4.026 11.376 658 HZ2 LYS 97 2HZ LYS 97 -14.284 4.871 10.660 659 HZ3 LYS 97 3HZ LYS 97 -13.456 5.544 11.973 660 H VAL 98 H VAL 98 -9.857 7.086 4.665 661 HA VAL 98 HA VAL 98 -7.976 8.851 6.053 662 HB VAL 98 HB VAL 98 -9.042 8.857 3.233 663 HG11 VAL 98 1HG1 VAL 98 -7.317 10.788 3.015 664 HG12 VAL 98 2HG1 VAL 98 -8.934 11.134 3.629 665 HG13 VAL 98 3HG1 VAL 98 -7.579 10.980 4.748 666 HG21 VAL 98 1HG2 VAL 98 -6.627 8.631 2.687 667 HG22 VAL 98 2HG2 VAL 98 -6.291 8.482 4.412 668 HG23 VAL 98 3HG2 VAL 98 -7.277 7.267 3.598 669 H THR 99 H THR 99 -8.469 10.982 6.571 670 HA THR 99 HA THR 99 -11.340 11.655 6.530 671 HB THR 99 HB THR 99 -11.213 12.626 8.658 672 HG1 THR 99 1HG THR 99 -9.029 12.794 9.685 673 HG21 THR 99 1HG2 THR 99 -10.966 10.085 8.571 674 HG22 THR 99 2HG2 THR 99 -10.537 10.878 10.087 675 HG23 THR 99 3HG2 THR 99 -9.272 10.351 8.979 676 H GLY 100 H GLY 100 -11.689 14.088 6.853 677 HA2 GLY 100 1HA GLY 100 -10.824 16.316 6.505 678 HA3 GLY 100 2HA GLY 100 -9.612 15.627 5.435 679 HA PRO 101 HA PRO 101 -13.410 17.240 3.093 680 HB2 PRO 101 1HB PRO 101 -12.241 19.408 1.953 681 HB3 PRO 101 2HB PRO 101 -13.068 19.473 3.513 682 HG2 PRO 101 1HG PRO 101 -10.139 19.268 2.930 683 HG3 PRO 101 2HG PRO 101 -10.973 20.270 4.132 684 HD2 PRO 101 1HD PRO 101 -9.740 17.946 4.774 685 HD3 PRO 101 2HD PRO 101 -11.189 18.524 5.621 686 H ARG 102 H ARG 102 -13.633 17.274 0.776 687 HA ARG 102 HA ARG 102 -11.876 15.452 -0.531 688 HB2 ARG 102 1HB ARG 102 -14.447 15.974 -0.885 689 HB3 ARG 102 2HB ARG 102 -13.821 17.113 -2.069 690 HG2 ARG 102 1HG ARG 102 -12.448 15.001 -2.855 691 HG3 ARG 102 2HG ARG 102 -13.784 14.147 -2.081 692 HD2 ARG 102 1HD ARG 102 -14.362 16.381 -3.975 693 HD3 ARG 102 2HD ARG 102 -13.911 14.800 -4.612 694 HE ARG 102 HE ARG 102 -15.877 14.207 -2.859 695 HH11 ARG 102 1HH1 ARG 102 -15.636 16.485 -5.481 696 HH12 ARG 102 2HH1 ARG 102 -17.326 16.430 -5.857 697 HH21 ARG 102 1HH2 ARG 102 -18.104 14.125 -3.345 698 HH22 ARG 102 2HH2 ARG 102 -18.729 15.088 -4.641 699 H LEU 103 H LEU 103 -9.830 16.379 -0.608 700 HA LEU 103 HA LEU 103 -9.440 18.966 -1.832 701 HB2 LEU 103 1HB LEU 103 -7.697 16.912 -0.568 702 HB3 LEU 103 2HB LEU 103 -6.959 18.087 -1.655 703 HG LEU 103 HG LEU 103 -8.658 18.998 0.638 704 HD11 LEU 103 1HD1 LEU 103 -7.202 18.339 2.171 705 HD12 LEU 103 2HD1 LEU 103 -5.884 19.116 1.295 706 HD13 LEU 103 3HD1 LEU 103 -6.322 17.447 0.930 707 HD21 LEU 103 1HD2 LEU 103 -6.416 20.177 -0.988 708 HD22 LEU 103 2HD2 LEU 103 -7.045 20.921 0.482 709 HD23 LEU 103 3HD2 LEU 103 -8.098 20.703 -0.917 710 H SER 104 H SER 104 -10.756 17.399 -3.620 711 HA SER 104 HA SER 104 -8.696 16.568 -5.551 712 HB2 SER 104 1HB SER 104 -10.508 15.289 -6.661 713 HB3 SER 104 2HB SER 104 -10.262 14.784 -4.989 714 HG SER 104 HG SER 104 -12.347 16.348 -6.076 715 H GLY 105 H GLY 105 -8.279 18.704 -6.270 716 HA2 GLY 105 1HA GLY 105 -8.578 20.051 -8.206 717 HA3 GLY 105 2HA GLY 105 -10.289 19.652 -8.184 718 H SER 106 H SER 106 -7.814 21.752 -6.967 719 HA SER 106 HA SER 106 -8.852 23.094 -4.889 720 HB2 SER 106 1HB SER 106 -7.840 25.176 -5.807 721 HB3 SER 106 2HB SER 106 -6.766 23.783 -5.926 722 HG SER 106 HG SER 106 -7.070 25.218 -7.856 723 H GLY 107 H GLY 107 -10.488 24.478 -4.417 724 HA2 GLY 107 1HA GLY 107 -11.944 26.063 -6.162 725 HA3 GLY 107 2HA GLY 107 -12.762 24.508 -6.123 726 HA PRO 108 HA PRO 108 -13.913 27.343 -2.466 727 HB2 PRO 108 1HB PRO 108 -16.338 28.187 -3.350 728 HB3 PRO 108 2HB PRO 108 -14.840 29.071 -3.665 729 HG2 PRO 108 1HG PRO 108 -16.345 27.198 -5.451 730 HG3 PRO 108 2HG PRO 108 -15.588 28.752 -5.844 731 HD2 PRO 108 1HD PRO 108 -14.420 26.377 -6.417 732 HD3 PRO 108 2HD PRO 108 -13.483 27.829 -6.009 733 H SER 109 H SER 109 -15.973 25.308 -4.526 734 HA SER 109 HA SER 109 -17.900 24.574 -2.687 735 HB2 SER 109 1HB SER 109 -16.689 23.100 -5.018 736 HB3 SER 109 2HB SER 109 -17.971 22.381 -4.044 737 HG SER 109 HG SER 109 -18.982 24.617 -4.516 738 H SER 110 H SER 110 -18.037 23.171 -1.021 739 HA SER 110 HA SER 110 -15.555 21.789 -0.246 740 HB2 SER 110 1HB SER 110 -16.360 21.918 2.063 741 HB3 SER 110 2HB SER 110 -16.319 23.525 1.337 742 HG SER 110 HG SER 110 -18.606 23.194 0.892 743 H GLY 111 H GLY 111 -16.025 19.829 1.227 744 HA2 GLY 111 1HA GLY 111 -18.456 18.384 0.620 745 HA3 GLY 111 2HA GLY 111 -17.022 17.740 -0.164 Start of MODEL 20 1 H1 GLY 1 H GLY 1 10.893 -41.971 -6.372 2 HA2 GLY 1 1HA GLY 1 11.013 -40.904 -8.469 3 HA3 GLY 1 2HA GLY 1 9.806 -42.151 -8.748 4 H SER 2 H SER 2 10.076 -38.826 -7.502 5 HA SER 2 HA SER 2 7.698 -38.134 -9.072 6 HB2 SER 2 1HB SER 2 7.201 -38.587 -6.570 7 HB3 SER 2 2HB SER 2 8.032 -37.059 -6.280 8 HG SER 2 HG SER 2 6.455 -36.361 -8.087 9 H SER 3 H SER 3 7.859 -36.241 -10.119 10 HA SER 3 HA SER 3 10.204 -34.942 -10.576 11 HB2 SER 3 1HB SER 3 8.235 -34.537 -11.942 12 HB3 SER 3 2HB SER 3 7.425 -33.740 -10.593 13 HG SER 3 HG SER 3 9.063 -32.674 -12.399 14 H GLY 4 H GLY 4 10.914 -32.735 -9.995 15 HA2 GLY 4 1HA GLY 4 10.818 -32.424 -7.098 16 HA3 GLY 4 2HA GLY 4 11.922 -31.612 -8.197 17 H SER 5 H SER 5 9.858 -30.812 -6.015 18 HA SER 5 HA SER 5 8.211 -28.957 -7.551 19 HB2 SER 5 1HB SER 5 8.233 -29.888 -4.698 20 HB3 SER 5 2HB SER 5 7.407 -28.389 -5.125 21 HG SER 5 HG SER 5 5.926 -29.487 -6.194 22 H SER 6 H SER 6 8.113 -26.687 -6.962 23 HA SER 6 HA SER 6 10.657 -25.670 -5.878 24 HB2 SER 6 1HB SER 6 10.709 -23.939 -7.535 25 HB3 SER 6 2HB SER 6 10.449 -25.460 -8.388 26 HG SER 6 HG SER 6 8.915 -23.273 -8.371 27 H GLY 7 H GLY 7 10.504 -24.158 -4.330 28 HA2 GLY 7 1HA GLY 7 7.945 -22.744 -3.994 29 HA3 GLY 7 2HA GLY 7 8.637 -23.614 -2.633 30 H ALA 8 H ALA 8 8.614 -20.710 -4.410 31 HA ALA 8 HA ALA 8 10.791 -19.663 -2.722 32 HB1 ALA 8 1HB ALA 8 11.762 -19.673 -4.840 33 HB2 ALA 8 2HB ALA 8 10.264 -19.190 -5.635 34 HB3 ALA 8 3HB ALA 8 11.163 -18.024 -4.665 35 H GLY 9 H GLY 9 9.590 -18.666 -1.172 36 HA2 GLY 9 1HA GLY 9 8.775 -16.249 -0.976 37 HA3 GLY 9 2HA GLY 9 7.506 -16.783 -2.069 38 H ASP 10 H ASP 10 7.319 -15.714 0.659 39 HA ASP 10 HA ASP 10 5.494 -17.695 1.693 40 HB2 ASP 10 1HB ASP 10 8.009 -16.947 3.179 41 HB3 ASP 10 2HB ASP 10 6.585 -17.581 4.000 42 HA PRO 11 HA PRO 11 3.786 -13.581 2.394 43 HB2 PRO 11 1HB PRO 11 1.231 -14.453 2.680 44 HB3 PRO 11 2HB PRO 11 1.997 -14.224 1.103 45 HG2 PRO 11 1HG PRO 11 1.605 -16.744 2.671 46 HG3 PRO 11 2HG PRO 11 1.383 -16.460 0.935 47 HD2 PRO 11 1HD PRO 11 3.595 -17.650 1.945 48 HD3 PRO 11 2HD PRO 11 3.638 -16.634 0.490 49 H GLY 12 H GLY 12 3.036 -16.498 4.282 50 HA2 GLY 12 1HA GLY 12 1.922 -15.319 6.532 51 HA3 GLY 12 2HA GLY 12 2.840 -16.818 6.547 52 H LEU 13 H LEU 13 5.284 -15.507 5.578 53 HA LEU 13 HA LEU 13 6.160 -14.458 8.156 54 HB2 LEU 13 1HB LEU 13 7.836 -15.083 5.735 55 HB3 LEU 13 2HB LEU 13 8.393 -14.839 7.389 56 HG LEU 13 HG LEU 13 6.818 -17.185 6.333 57 HD11 LEU 13 1HD1 LEU 13 8.797 -18.462 6.856 58 HD12 LEU 13 2HD1 LEU 13 9.600 -17.022 7.481 59 HD13 LEU 13 3HD1 LEU 13 9.217 -17.142 5.764 60 HD21 LEU 13 1HD2 LEU 13 6.756 -18.072 8.509 61 HD22 LEU 13 2HD2 LEU 13 6.224 -16.398 8.677 62 HD23 LEU 13 3HD2 LEU 13 7.868 -16.851 9.129 63 H VAL 14 H VAL 14 4.553 -12.933 6.103 64 HA VAL 14 HA VAL 14 6.374 -10.626 5.890 65 HB VAL 14 HB VAL 14 4.257 -11.480 3.913 66 HG11 VAL 14 1HG1 VAL 14 4.136 -9.106 4.083 67 HG12 VAL 14 2HG1 VAL 14 5.894 -8.956 4.064 68 HG13 VAL 14 3HG1 VAL 14 5.037 -9.484 2.615 69 HG21 VAL 14 1HG2 VAL 14 7.144 -10.991 3.300 70 HG22 VAL 14 2HG2 VAL 14 6.627 -12.538 3.971 71 HG23 VAL 14 3HG2 VAL 14 5.969 -11.979 2.433 72 H SER 15 H SER 15 5.623 -8.703 6.606 73 HA SER 15 HA SER 15 2.774 -8.443 7.242 74 HB2 SER 15 1HB SER 15 4.976 -7.737 9.195 75 HB3 SER 15 2HB SER 15 3.240 -7.586 9.465 76 HG SER 15 HG SER 15 3.147 -9.905 9.168 77 H ALA 16 H ALA 16 2.084 -6.228 7.564 78 HA ALA 16 HA ALA 16 3.935 -4.213 6.490 79 HB1 ALA 16 1HB ALA 16 2.048 -3.267 5.164 80 HB2 ALA 16 2HB ALA 16 2.593 -4.853 4.616 81 HB3 ALA 16 3HB ALA 16 1.112 -4.707 5.562 82 H TYR 17 H TYR 17 3.852 -2.260 7.466 83 HA TYR 17 HA TYR 17 1.585 -1.615 9.195 84 HB2 TYR 17 1HB TYR 17 3.143 -0.956 11.031 85 HB3 TYR 17 2HB TYR 17 3.113 -2.688 10.720 86 HD1 TYR 17 1HD TYR 17 5.082 0.403 10.249 87 HD2 TYR 17 2HD TYR 17 5.070 -3.845 10.024 88 HE1 TYR 17 1HE TYR 17 7.527 0.417 9.982 89 HE2 TYR 17 2HE TYR 17 7.515 -3.844 9.758 90 HH TYR 17 HH TYR 17 9.338 -0.814 9.535 91 H GLY 18 H GLY 18 1.259 0.584 9.528 92 HA2 GLY 18 1HA GLY 18 2.796 2.748 9.250 93 HA3 GLY 18 2HA GLY 18 2.564 2.293 7.568 94 HA PRO 19 HA PRO 19 -1.014 4.906 9.322 95 HB2 PRO 19 1HB PRO 19 -0.383 7.278 8.161 96 HB3 PRO 19 2HB PRO 19 0.176 6.818 9.774 97 HG2 PRO 19 1HG PRO 19 1.626 6.692 7.158 98 HG3 PRO 19 2HG PRO 19 2.217 7.234 8.739 99 HD2 PRO 19 1HD PRO 19 2.766 4.777 7.743 100 HD3 PRO 19 2HD PRO 19 2.580 5.082 9.482 101 H GLY 20 H GLY 20 0.454 4.139 6.329 102 HA2 GLY 20 1HA GLY 20 -1.557 5.283 4.626 103 HA3 GLY 20 2HA GLY 20 -0.310 4.140 4.148 104 H LEU 21 H LEU 21 -1.078 2.189 6.197 105 HA LEU 21 HA LEU 21 -3.139 0.867 4.682 106 HB2 LEU 21 1HB LEU 21 -1.959 -0.058 7.286 107 HB3 LEU 21 2HB LEU 21 -2.703 -1.033 6.020 108 HG LEU 21 HG LEU 21 -0.204 0.485 5.413 109 HD11 LEU 21 1HD1 LEU 21 0.405 -0.581 7.456 110 HD12 LEU 21 2HD1 LEU 21 1.082 -1.532 6.135 111 HD13 LEU 21 3HD1 LEU 21 -0.369 -2.089 6.968 112 HD21 LEU 21 1HD2 LEU 21 -1.646 -1.921 4.393 113 HD22 LEU 21 2HD2 LEU 21 0.092 -1.774 4.136 114 HD23 LEU 21 3HD2 LEU 21 -0.999 -0.538 3.510 115 H GLU 22 H GLU 22 -2.815 2.162 7.970 116 HA GLU 22 HA GLU 22 -5.526 1.513 8.668 117 HB2 GLU 22 1HB GLU 22 -3.295 3.005 10.005 118 HB3 GLU 22 2HB GLU 22 -4.930 3.112 10.642 119 HG2 GLU 22 1HG GLU 22 -3.354 0.577 10.258 120 HG3 GLU 22 2HG GLU 22 -3.627 1.407 11.789 121 H GLY 23 H GLY 23 -3.882 4.193 7.223 122 HA2 GLY 23 1HA GLY 23 -5.291 5.707 5.905 123 HA3 GLY 23 2HA GLY 23 -6.423 5.701 7.249 124 H GLY 24 H GLY 24 -5.731 8.106 6.365 125 HA2 GLY 24 1HA GLY 24 -4.281 9.201 8.623 126 HA3 GLY 24 2HA GLY 24 -3.505 9.445 7.065 127 H THR 25 H THR 25 -4.086 11.160 5.891 128 HA THR 25 HA THR 25 -6.701 12.391 6.318 129 HB THR 25 HB THR 25 -4.070 13.784 6.778 130 HG1 THR 25 1HG THR 25 -6.476 13.420 8.243 131 HG21 THR 25 1HG2 THR 25 -6.748 15.016 6.131 132 HG22 THR 25 2HG2 THR 25 -5.234 15.216 5.248 133 HG23 THR 25 3HG2 THR 25 -5.409 15.899 6.864 134 H THR 26 H THR 26 -7.282 13.929 4.655 135 HA THR 26 HA THR 26 -6.484 13.069 2.065 136 HB THR 26 HB THR 26 -7.904 15.022 1.282 137 HG1 THR 26 1HG THR 26 -9.274 15.809 3.116 138 HG21 THR 26 1HG2 THR 26 -8.882 12.838 1.415 139 HG22 THR 26 2HG2 THR 26 -10.032 13.985 2.103 140 HG23 THR 26 3HG2 THR 26 -9.059 12.967 3.164 141 H GLY 27 H GLY 27 -5.344 14.166 0.461 142 HA2 GLY 27 1HA GLY 27 -3.732 15.549 -0.409 143 HA3 GLY 27 2HA GLY 27 -4.289 16.767 0.729 144 H VAL 28 H VAL 28 -3.200 13.718 1.946 145 HA VAL 28 HA VAL 28 -0.630 14.936 2.716 146 HB VAL 28 HB VAL 28 -2.402 13.230 4.470 147 HG11 VAL 28 1HG1 VAL 28 -0.249 14.456 5.874 148 HG12 VAL 28 2HG1 VAL 28 -0.608 12.739 5.681 149 HG13 VAL 28 3HG1 VAL 28 0.406 13.568 4.499 150 HG21 VAL 28 1HG2 VAL 28 -3.020 15.669 4.108 151 HG22 VAL 28 2HG2 VAL 28 -2.794 15.149 5.778 152 HG23 VAL 28 3HG2 VAL 28 -1.527 16.063 4.961 153 H SER 29 H SER 29 1.039 13.798 2.008 154 HA SER 29 HA SER 29 0.891 11.395 0.642 155 HB2 SER 29 1HB SER 29 3.256 12.540 2.147 156 HB3 SER 29 2HB SER 29 3.347 11.261 0.937 157 HG SER 29 HG SER 29 3.513 12.840 -0.432 158 H SER 30 H SER 30 0.343 9.444 1.323 159 HA SER 30 HA SER 30 1.060 8.657 4.072 160 HB2 SER 30 1HB SER 30 -1.293 7.653 2.453 161 HB3 SER 30 2HB SER 30 -0.928 7.266 4.134 162 HG SER 30 HG SER 30 -1.506 9.268 4.740 163 H GLU 31 H GLU 31 2.366 6.961 4.283 164 HA GLU 31 HA GLU 31 2.550 5.026 2.079 165 HB2 GLU 31 1HB GLU 31 5.004 4.945 2.385 166 HB3 GLU 31 2HB GLU 31 4.443 6.514 1.825 167 HG2 GLU 31 1HG GLU 31 4.632 7.408 4.075 168 HG3 GLU 31 2HG GLU 31 5.145 5.830 4.671 169 H PHE 32 H PHE 32 4.186 3.187 2.957 170 HA PHE 32 HA PHE 32 3.918 2.573 5.738 171 HB2 PHE 32 1HB PHE 32 2.566 0.485 5.365 172 HB3 PHE 32 2HB PHE 32 1.668 1.985 5.156 173 HD1 PHE 32 1HD PHE 32 3.229 -0.847 3.403 174 HD2 PHE 32 2HD PHE 32 0.735 2.585 3.055 175 HE1 PHE 32 1HE PHE 32 2.537 -1.582 1.159 176 HE2 PHE 32 2HE PHE 32 0.037 1.855 0.811 177 HZ PHE 32 HZ PHE 32 0.938 -0.231 -0.140 178 H ILE 33 H ILE 33 5.104 0.720 6.357 179 HA ILE 33 HA ILE 33 7.058 -0.114 4.337 180 HB ILE 33 HB ILE 33 7.117 -0.138 7.345 181 HG12 ILE 33 1HG1 ILE 33 8.859 1.136 5.225 182 HG13 ILE 33 2HG1 ILE 33 7.728 1.965 6.289 183 HG21 ILE 33 1HG2 ILE 33 8.048 -2.242 6.746 184 HG22 ILE 33 2HG2 ILE 33 8.974 -1.527 5.427 185 HG23 ILE 33 3HG2 ILE 33 9.397 -1.162 7.100 186 HD11 ILE 33 1HD1 ILE 33 10.428 0.887 6.853 187 HD12 ILE 33 2HD1 ILE 33 9.669 2.389 7.382 188 HD13 ILE 33 3HD1 ILE 33 9.237 0.863 8.153 189 H VAL 34 H VAL 34 7.383 -2.216 3.779 190 HA VAL 34 HA VAL 34 5.536 -4.194 4.951 191 HB VAL 34 HB VAL 34 6.617 -4.114 2.130 192 HG11 VAL 34 1HG1 VAL 34 4.464 -5.951 3.098 193 HG12 VAL 34 2HG1 VAL 34 5.515 -6.103 1.689 194 HG13 VAL 34 3HG1 VAL 34 6.161 -6.379 3.308 195 HG21 VAL 34 1HG2 VAL 34 4.643 -3.232 1.421 196 HG22 VAL 34 2HG2 VAL 34 3.716 -3.965 2.730 197 HG23 VAL 34 3HG2 VAL 34 4.684 -2.522 3.035 198 H ASN 35 H ASN 35 6.740 -5.321 6.365 199 HA ASN 35 HA ASN 35 9.508 -5.873 6.008 200 HB2 ASN 35 1HB ASN 35 8.561 -5.734 8.241 201 HB3 ASN 35 2HB ASN 35 7.476 -7.079 7.898 202 HD21 ASN 35 1HD2 ASN 35 9.293 -6.967 10.044 203 HD22 ASN 35 2HD2 ASN 35 10.458 -8.224 9.824 204 H THR 36 H THR 36 10.017 -7.035 4.227 205 HA THR 36 HA THR 36 8.718 -9.664 3.915 206 HB THR 36 HB THR 36 9.511 -9.521 1.510 207 HG1 THR 36 1HG THR 36 10.985 -7.769 1.834 208 HG21 THR 36 1HG2 THR 36 7.593 -7.297 2.105 209 HG22 THR 36 2HG2 THR 36 7.160 -8.968 2.464 210 HG23 THR 36 3HG2 THR 36 7.547 -8.492 0.811 211 H LEU 37 H LEU 37 11.340 -8.434 5.225 212 HA LEU 37 HA LEU 37 13.510 -9.732 3.979 213 HB2 LEU 37 1HB LEU 37 13.272 -9.073 6.906 214 HB3 LEU 37 2HB LEU 37 14.750 -9.251 5.963 215 HG LEU 37 HG LEU 37 12.819 -7.106 5.212 216 HD11 LEU 37 1HD1 LEU 37 13.655 -7.308 7.824 217 HD12 LEU 37 2HD1 LEU 37 13.135 -5.832 7.013 218 HD13 LEU 37 3HD1 LEU 37 14.850 -6.231 7.102 219 HD21 LEU 37 1HD2 LEU 37 15.016 -5.953 4.753 220 HD22 LEU 37 2HD2 LEU 37 14.669 -7.369 3.760 221 HD23 LEU 37 3HD2 LEU 37 15.802 -7.492 5.107 222 H ASN 38 H ASN 38 11.429 -10.686 6.693 223 HA ASN 38 HA ASN 38 12.687 -13.056 7.397 224 HB2 ASN 38 1HB ASN 38 9.706 -12.533 7.411 225 HB3 ASN 38 2HB ASN 38 10.561 -13.731 8.378 226 HD21 ASN 38 1HD2 ASN 38 9.054 -10.934 8.638 227 HD22 ASN 38 2HD2 ASN 38 9.959 -10.182 9.903 228 H ALA 39 H ALA 39 10.338 -12.425 4.841 229 HA ALA 39 HA ALA 39 9.896 -15.109 4.092 230 HB1 ALA 39 1HB ALA 39 8.989 -12.583 3.271 231 HB2 ALA 39 2HB ALA 39 9.672 -13.353 1.838 232 HB3 ALA 39 3HB ALA 39 8.401 -14.163 2.754 233 H GLY 40 H GLY 40 11.861 -12.627 2.429 234 HA2 GLY 40 1HA GLY 40 14.234 -13.395 1.999 235 HA3 GLY 40 2HA GLY 40 13.484 -14.830 1.317 236 H SER 41 H SER 41 11.947 -14.431 -0.513 237 HA SER 41 HA SER 41 12.326 -11.991 -2.011 238 HB2 SER 41 1HB SER 41 13.496 -14.613 -2.956 239 HB3 SER 41 2HB SER 41 13.180 -13.255 -4.036 240 HG SER 41 HG SER 41 14.744 -12.107 -3.083 241 H GLY 42 H GLY 42 11.124 -12.087 -4.128 242 HA2 GLY 42 1HA GLY 42 9.439 -13.798 -5.193 243 HA3 GLY 42 2HA GLY 42 8.606 -13.511 -3.672 244 H ALA 43 H ALA 43 7.450 -12.971 -6.154 245 HA ALA 43 HA ALA 43 7.718 -10.226 -6.871 246 HB1 ALA 43 1HB ALA 43 5.298 -11.895 -7.464 247 HB2 ALA 43 2HB ALA 43 6.018 -10.602 -8.425 248 HB3 ALA 43 3HB ALA 43 6.830 -12.162 -8.298 249 H LEU 44 H LEU 44 6.623 -8.462 -6.193 250 HA LEU 44 HA LEU 44 4.672 -8.857 -4.023 251 HB2 LEU 44 1HB LEU 44 6.578 -7.732 -3.178 252 HB3 LEU 44 2HB LEU 44 6.634 -6.643 -4.562 253 HG LEU 44 HG LEU 44 4.352 -5.793 -3.689 254 HD11 LEU 44 1HD1 LEU 44 4.123 -7.658 -2.042 255 HD12 LEU 44 2HD1 LEU 44 3.942 -6.045 -1.354 256 HD13 LEU 44 3HD1 LEU 44 5.447 -6.936 -1.127 257 HD21 LEU 44 1HD2 LEU 44 6.908 -4.906 -3.443 258 HD22 LEU 44 2HD2 LEU 44 6.404 -4.982 -1.754 259 HD23 LEU 44 3HD2 LEU 44 5.482 -4.017 -2.909 260 H SER 45 H SER 45 2.775 -7.654 -4.004 261 HA SER 45 HA SER 45 2.200 -6.054 -6.401 262 HB2 SER 45 1HB SER 45 1.278 -8.503 -6.391 263 HB3 SER 45 2HB SER 45 0.090 -7.858 -5.258 264 HG SER 45 HG SER 45 0.558 -7.102 -7.941 265 H VAL 46 H VAL 46 1.417 -4.119 -5.911 266 HA VAL 46 HA VAL 46 -0.100 -3.784 -3.414 267 HB VAL 46 HB VAL 46 2.082 -1.942 -4.401 268 HG11 VAL 46 1HG1 VAL 46 0.401 -0.549 -3.513 269 HG12 VAL 46 2HG1 VAL 46 0.075 -1.659 -2.180 270 HG13 VAL 46 3HG1 VAL 46 1.584 -0.747 -2.220 271 HG21 VAL 46 1HG2 VAL 46 2.260 -4.227 -2.833 272 HG22 VAL 46 2HG2 VAL 46 3.471 -2.953 -2.981 273 HG23 VAL 46 3HG2 VAL 46 2.286 -2.896 -1.676 274 H THR 47 H THR 47 -2.050 -3.028 -3.867 275 HA THR 47 HA THR 47 -2.339 -0.998 -5.970 276 HB THR 47 HB THR 47 -4.539 -2.090 -6.596 277 HG1 THR 47 1HG THR 47 -4.825 -3.539 -4.927 278 HG21 THR 47 1HG2 THR 47 -2.805 -4.168 -7.482 279 HG22 THR 47 2HG2 THR 47 -1.886 -2.663 -7.428 280 HG23 THR 47 3HG2 THR 47 -3.373 -2.755 -8.372 281 H ILE 48 H ILE 48 -4.187 0.369 -5.740 282 HA ILE 48 HA ILE 48 -5.418 0.300 -3.065 283 HB ILE 48 HB ILE 48 -4.404 2.728 -4.545 284 HG12 ILE 48 1HG1 ILE 48 -3.691 1.823 -1.762 285 HG13 ILE 48 2HG1 ILE 48 -2.818 1.238 -3.174 286 HG21 ILE 48 1HG2 ILE 48 -6.194 3.720 -3.603 287 HG22 ILE 48 2HG2 ILE 48 -6.417 2.434 -2.419 288 HG23 ILE 48 3HG2 ILE 48 -5.196 3.678 -2.149 289 HD11 ILE 48 1HD1 ILE 48 -1.955 3.346 -3.655 290 HD12 ILE 48 2HD1 ILE 48 -3.144 4.165 -2.641 291 HD13 ILE 48 3HD1 ILE 48 -1.852 3.222 -1.899 292 H ASP 49 H ASP 49 -7.565 0.801 -2.934 293 HA ASP 49 HA ASP 49 -8.938 1.623 -5.396 294 HB2 ASP 49 1HB ASP 49 -8.980 -0.950 -4.783 295 HB3 ASP 49 2HB ASP 49 -10.232 -0.433 -3.657 296 H GLY 50 H GLY 50 -9.974 3.451 -4.968 297 HA2 GLY 50 1HA GLY 50 -11.561 3.635 -2.513 298 HA3 GLY 50 2HA GLY 50 -10.351 4.878 -2.797 299 HA PRO 51 HA PRO 51 -14.394 6.217 -4.680 300 HB2 PRO 51 1HB PRO 51 -14.417 8.666 -3.508 301 HB3 PRO 51 2HB PRO 51 -15.091 7.225 -2.736 302 HG2 PRO 51 1HG PRO 51 -12.433 8.535 -2.309 303 HG3 PRO 51 2HG PRO 51 -13.563 7.879 -1.110 304 HD2 PRO 51 1HD PRO 51 -11.366 6.527 -1.935 305 HD3 PRO 51 2HD PRO 51 -12.868 5.709 -1.457 306 H SER 52 H SER 52 -11.143 7.243 -4.626 307 HA SER 52 HA SER 52 -11.448 8.514 -7.210 308 HB2 SER 52 1HB SER 52 -11.684 10.240 -5.213 309 HB3 SER 52 2HB SER 52 -9.924 10.126 -5.208 310 HG SER 52 HG SER 52 -11.303 10.555 -7.621 311 H LYS 53 H LYS 53 -9.777 8.022 -8.480 312 HA LYS 53 HA LYS 53 -7.844 6.202 -7.922 313 HB2 LYS 53 1HB LYS 53 -8.480 7.450 -10.146 314 HB3 LYS 53 2HB LYS 53 -7.118 8.480 -9.723 315 HG2 LYS 53 1HG LYS 53 -6.193 6.877 -11.124 316 HG3 LYS 53 2HG LYS 53 -5.786 6.302 -9.506 317 HD2 LYS 53 1HD LYS 53 -7.801 4.829 -9.605 318 HD3 LYS 53 2HD LYS 53 -8.010 5.316 -11.289 319 HE2 LYS 53 1HE LYS 53 -5.972 4.306 -11.931 320 HE3 LYS 53 2HE LYS 53 -5.454 4.113 -10.257 321 HZ1 LYS 53 1HZ LYS 53 -6.352 2.079 -11.484 322 HZ2 LYS 53 2HZ LYS 53 -7.881 2.766 -11.259 323 HZ3 LYS 53 3HZ LYS 53 -6.927 2.371 -9.920 324 H VAL 54 H VAL 54 -5.705 6.199 -7.251 325 HA VAL 54 HA VAL 54 -4.726 8.693 -6.024 326 HB VAL 54 HB VAL 54 -3.707 7.318 -4.220 327 HG11 VAL 54 1HG1 VAL 54 -5.919 8.500 -4.020 328 HG12 VAL 54 2HG1 VAL 54 -6.692 6.944 -4.328 329 HG13 VAL 54 3HG1 VAL 54 -5.675 7.157 -2.903 330 HG21 VAL 54 1HG2 VAL 54 -5.433 5.113 -5.343 331 HG22 VAL 54 2HG2 VAL 54 -3.673 5.177 -5.422 332 HG23 VAL 54 3HG2 VAL 54 -4.481 5.037 -3.861 333 H GLN 55 H GLN 55 -2.533 9.083 -6.144 334 HA GLN 55 HA GLN 55 -1.108 7.505 -8.139 335 HB2 GLN 55 1HB GLN 55 -1.301 10.084 -8.120 336 HB3 GLN 55 2HB GLN 55 -0.078 10.021 -6.859 337 HG2 GLN 55 1HG GLN 55 0.345 8.647 -9.482 338 HG3 GLN 55 2HG GLN 55 0.665 10.370 -9.291 339 HE21 GLN 55 1HE2 GLN 55 2.290 7.752 -9.613 340 HE22 GLN 55 2HE2 GLN 55 3.562 7.948 -8.460 341 H LEU 56 H LEU 56 -0.216 5.738 -7.225 342 HA LEU 56 HA LEU 56 1.253 6.037 -4.706 343 HB2 LEU 56 1HB LEU 56 0.978 3.785 -4.343 344 HB3 LEU 56 2HB LEU 56 -0.506 4.197 -5.199 345 HG LEU 56 HG LEU 56 0.814 3.410 -7.305 346 HD11 LEU 56 1HD1 LEU 56 2.689 2.196 -7.049 347 HD12 LEU 56 2HD1 LEU 56 2.155 1.492 -5.523 348 HD13 LEU 56 3HD1 LEU 56 2.843 3.115 -5.551 349 HD21 LEU 56 1HD2 LEU 56 0.230 1.001 -5.820 350 HD22 LEU 56 2HD2 LEU 56 -0.605 1.700 -7.207 351 HD23 LEU 56 3HD2 LEU 56 -1.012 2.229 -5.573 352 H ASP 57 H ASP 57 3.414 5.542 -4.512 353 HA ASP 57 HA ASP 57 4.864 4.967 -7.009 354 HB2 ASP 57 1HB ASP 57 4.933 7.409 -5.982 355 HB3 ASP 57 2HB ASP 57 6.137 6.681 -4.922 356 H CYS 58 H CYS 58 5.967 3.140 -6.866 357 HA CYS 58 HA CYS 58 6.419 1.867 -4.328 358 HB2 CYS 58 1HB CYS 58 5.913 0.830 -6.713 359 HB3 CYS 58 2HB CYS 58 7.667 0.859 -6.847 360 HG CYS 58 HG CYS 58 8.196 -1.115 -5.229 361 H ARG 59 H ARG 59 8.195 1.938 -3.113 362 HA ARG 59 HA ARG 59 10.687 2.931 -4.330 363 HB2 ARG 59 1HB ARG 59 9.297 3.805 -1.832 364 HB3 ARG 59 2HB ARG 59 11.055 3.837 -1.878 365 HG2 ARG 59 1HG ARG 59 9.566 5.095 -4.120 366 HG3 ARG 59 2HG ARG 59 9.618 5.929 -2.565 367 HD2 ARG 59 1HD ARG 59 11.873 6.296 -2.682 368 HD3 ARG 59 2HD ARG 59 12.163 4.865 -3.671 369 HE ARG 59 HE ARG 59 10.679 6.714 -5.168 370 HH11 ARG 59 1HH1 ARG 59 13.859 6.314 -3.810 371 HH12 ARG 59 2HH1 ARG 59 14.639 7.282 -5.017 372 HH21 ARG 59 1HH2 ARG 59 11.693 7.991 -6.763 373 HH22 ARG 59 2HH2 ARG 59 13.405 8.236 -6.696 374 H GLU 60 H GLU 60 12.470 2.619 -2.392 375 HA GLU 60 HA GLU 60 12.244 -0.200 -1.562 376 HB2 GLU 60 1HB GLU 60 14.553 1.248 -2.834 377 HB3 GLU 60 2HB GLU 60 14.805 -0.200 -1.869 378 HG2 GLU 60 1HG GLU 60 13.503 -1.517 -3.362 379 HG3 GLU 60 2HG GLU 60 12.958 -0.088 -4.238 380 H CYS 61 H CYS 61 12.554 -0.570 0.534 381 HA CYS 61 HA CYS 61 13.989 1.454 2.121 382 HB2 CYS 61 1HB CYS 61 11.305 0.235 2.561 383 HB3 CYS 61 2HB CYS 61 12.303 0.552 3.975 384 HG CYS 61 HG CYS 61 10.253 2.574 2.979 385 HA PRO 62 HA PRO 62 16.390 -1.778 3.857 386 HB2 PRO 62 1HB PRO 62 16.639 -1.001 6.446 387 HB3 PRO 62 2HB PRO 62 17.461 -0.180 5.113 388 HG2 PRO 62 1HG PRO 62 14.940 0.578 6.537 389 HG3 PRO 62 2HG PRO 62 16.292 1.608 6.030 390 HD2 PRO 62 1HD PRO 62 13.979 1.445 4.631 391 HD3 PRO 62 2HD PRO 62 15.550 1.724 3.851 392 H GLU 63 H GLU 63 13.180 -1.434 4.621 393 HA GLU 63 HA GLU 63 13.185 -3.690 6.505 394 HB2 GLU 63 1HB GLU 63 11.239 -1.480 5.949 395 HB3 GLU 63 2HB GLU 63 10.672 -2.982 6.666 396 HG2 GLU 63 1HG GLU 63 12.963 -1.452 7.842 397 HG3 GLU 63 2HG GLU 63 11.288 -1.058 8.226 398 H GLY 64 H GLY 64 12.650 -2.906 3.266 399 HA2 GLY 64 1HA GLY 64 12.359 -5.191 2.059 400 HA3 GLY 64 2HA GLY 64 10.793 -5.143 2.855 401 H HIS 65 H HIS 65 9.162 -4.008 1.950 402 HA HIS 65 HA HIS 65 9.814 -2.394 -0.428 403 HB2 HIS 65 1HB HIS 65 7.315 -4.050 -0.039 404 HB3 HIS 65 2HB HIS 65 7.791 -3.175 -1.491 405 HD1 HIS 65 1HD HIS 65 10.310 -4.087 -2.398 406 HD2 HIS 65 2HD HIS 65 7.884 -6.674 -0.234 407 HE1 HIS 65 1HE HIS 65 11.137 -6.399 -2.943 408 HE2 HIS 65 2HE HIS 65 9.600 -7.951 -1.690 409 H VAL 66 H VAL 66 8.877 -0.424 -0.613 410 HA VAL 66 HA VAL 66 6.824 0.322 1.357 411 HB VAL 66 HB VAL 66 9.053 1.142 2.104 412 HG11 VAL 66 1HG1 VAL 66 10.471 1.945 0.595 413 HG12 VAL 66 2HG1 VAL 66 9.215 1.956 -0.643 414 HG13 VAL 66 3HG1 VAL 66 9.423 3.351 0.416 415 HG21 VAL 66 1HG2 VAL 66 8.050 2.913 3.031 416 HG22 VAL 66 2HG2 VAL 66 7.747 3.672 1.468 417 HG23 VAL 66 3HG2 VAL 66 6.637 2.448 2.084 418 H VAL 67 H VAL 67 5.382 1.945 0.710 419 HA VAL 67 HA VAL 67 5.596 2.912 -2.047 420 HB VAL 67 HB VAL 67 3.159 1.513 -0.936 421 HG11 VAL 67 1HG1 VAL 67 2.639 1.928 -3.565 422 HG12 VAL 67 2HG1 VAL 67 2.066 2.968 -2.259 423 HG13 VAL 67 3HG1 VAL 67 3.520 3.400 -3.158 424 HG21 VAL 67 1HG2 VAL 67 3.570 -0.223 -2.426 425 HG22 VAL 67 2HG2 VAL 67 4.662 0.749 -3.413 426 HG23 VAL 67 3HG2 VAL 67 5.181 0.176 -1.828 427 H THR 68 H THR 68 4.718 4.909 -2.395 428 HA THR 68 HA THR 68 3.412 6.202 -0.089 429 HB THR 68 HB THR 68 5.219 7.625 -2.044 430 HG1 THR 68 1HG THR 68 5.974 7.019 0.605 431 HG21 THR 68 1HG2 THR 68 4.321 9.426 -1.073 432 HG22 THR 68 2HG2 THR 68 5.155 8.946 0.405 433 HG23 THR 68 3HG2 THR 68 3.488 8.442 0.129 434 H TYR 69 H TYR 69 1.497 7.106 -0.485 435 HA TYR 69 HA TYR 69 0.824 7.898 -3.227 436 HB2 TYR 69 1HB TYR 69 -1.254 6.757 -3.220 437 HB3 TYR 69 2HB TYR 69 -0.066 5.581 -2.669 438 HD1 TYR 69 1HD TYR 69 -2.683 7.930 -1.476 439 HD2 TYR 69 2HD TYR 69 -0.315 4.507 -0.594 440 HE1 TYR 69 1HE TYR 69 -4.030 7.525 0.542 441 HE2 TYR 69 2HE TYR 69 -1.656 4.092 1.426 442 HH TYR 69 HH TYR 69 -3.109 5.215 2.932 443 H THR 70 H THR 70 -1.059 9.330 -3.341 444 HA THR 70 HA THR 70 -1.478 10.833 -0.840 445 HB THR 70 HB THR 70 -1.229 12.001 -3.619 446 HG1 THR 70 1HG THR 70 0.669 12.976 -2.652 447 HG21 THR 70 1HG2 THR 70 -1.965 13.977 -2.827 448 HG22 THR 70 2HG2 THR 70 -1.157 13.767 -1.273 449 HG23 THR 70 3HG2 THR 70 -2.717 13.000 -1.567 450 HA PRO 71 HA PRO 71 -5.732 9.868 -1.740 451 HB2 PRO 71 1HB PRO 71 -6.777 11.202 0.382 452 HB3 PRO 71 2HB PRO 71 -5.993 9.624 0.530 453 HG2 PRO 71 1HG PRO 71 -4.884 12.349 1.083 454 HG3 PRO 71 2HG PRO 71 -4.708 10.857 2.025 455 HD2 PRO 71 1HD PRO 71 -2.773 11.769 0.364 456 HD3 PRO 71 2HD PRO 71 -3.046 10.039 0.653 457 H MET 72 H MET 72 -7.596 10.968 -2.451 458 HA MET 72 HA MET 72 -7.238 13.850 -2.946 459 HB2 MET 72 1HB MET 72 -7.978 11.650 -4.813 460 HB3 MET 72 2HB MET 72 -8.758 13.211 -5.036 461 HG2 MET 72 1HG MET 72 -6.290 14.097 -4.892 462 HG3 MET 72 2HG MET 72 -5.909 12.446 -5.376 463 HE1 MET 72 1HE MET 72 -7.251 11.268 -7.019 464 HE2 MET 72 2HE MET 72 -8.272 11.974 -8.271 465 HE3 MET 72 3HE MET 72 -6.537 11.803 -8.540 466 H ALA 73 H ALA 73 -9.112 11.455 -1.553 467 HA ALA 73 HA ALA 73 -11.189 13.337 -0.890 468 HB1 ALA 73 1HB ALA 73 -12.336 12.741 -2.781 469 HB2 ALA 73 2HB ALA 73 -11.679 11.104 -2.798 470 HB3 ALA 73 3HB ALA 73 -12.944 11.535 -1.646 471 HA PRO 74 HA PRO 74 -11.096 10.954 2.810 472 HB2 PRO 74 1HB PRO 74 -13.468 11.724 3.883 473 HB3 PRO 74 2HB PRO 74 -12.050 12.778 3.831 474 HG2 PRO 74 1HG PRO 74 -14.430 12.714 2.016 475 HG3 PRO 74 2HG PRO 74 -13.588 14.112 2.709 476 HD2 PRO 74 1HD PRO 74 -13.184 13.283 0.163 477 HD3 PRO 74 2HD PRO 74 -11.905 14.038 1.136 478 H GLY 75 H GLY 75 -11.296 8.797 2.573 479 HA2 GLY 75 1HA GLY 75 -13.872 7.586 2.810 480 HA3 GLY 75 2HA GLY 75 -13.220 7.388 1.190 481 H ASN 76 H ASN 76 -13.286 5.092 1.659 482 HA ASN 76 HA ASN 76 -11.082 4.210 3.401 483 HB2 ASN 76 1HB ASN 76 -13.326 2.452 2.421 484 HB3 ASN 76 2HB ASN 76 -12.228 2.170 3.768 485 HD21 ASN 76 1HD2 ASN 76 -13.183 2.359 5.647 486 HD22 ASN 76 2HD2 ASN 76 -14.444 3.470 6.048 487 H TYR 77 H TYR 77 -9.323 4.014 2.148 488 HA TYR 77 HA TYR 77 -9.552 2.951 -0.552 489 HB2 TYR 77 1HB TYR 77 -7.202 4.061 0.991 490 HB3 TYR 77 2HB TYR 77 -7.098 3.456 -0.658 491 HD1 TYR 77 1HD TYR 77 -8.537 6.100 1.478 492 HD2 TYR 77 2HD TYR 77 -7.842 4.770 -2.503 493 HE1 TYR 77 1HE TYR 77 -9.181 8.317 0.632 494 HE2 TYR 77 2HE TYR 77 -8.484 6.984 -3.361 495 HH TYR 77 HH TYR 77 -10.054 9.298 -1.481 496 H LEU 78 H LEU 78 -9.537 0.828 -0.833 497 HA LEU 78 HA LEU 78 -8.506 -0.971 1.151 498 HB2 LEU 78 1HB LEU 78 -10.510 -1.306 -0.427 499 HB3 LEU 78 2HB LEU 78 -9.303 -1.743 -1.635 500 HG LEU 78 HG LEU 78 -10.414 -3.663 -0.451 501 HD11 LEU 78 1HD1 LEU 78 -8.498 -4.975 -0.513 502 HD12 LEU 78 2HD1 LEU 78 -7.465 -3.669 0.066 503 HD13 LEU 78 3HD1 LEU 78 -8.099 -3.627 -1.579 504 HD21 LEU 78 1HD2 LEU 78 -10.180 -2.340 1.802 505 HD22 LEU 78 2HD2 LEU 78 -8.608 -3.137 1.861 506 HD23 LEU 78 3HD2 LEU 78 -10.084 -4.101 1.776 507 H ILE 79 H ILE 79 -6.402 -1.322 1.373 508 HA ILE 79 HA ILE 79 -4.651 -1.146 -0.967 509 HB ILE 79 HB ILE 79 -4.036 -1.219 1.985 510 HG12 ILE 79 1HG1 ILE 79 -3.353 0.941 0.002 511 HG13 ILE 79 2HG1 ILE 79 -4.916 0.900 0.812 512 HG21 ILE 79 1HG2 ILE 79 -1.666 -0.657 1.029 513 HG22 ILE 79 2HG2 ILE 79 -2.200 -2.332 1.167 514 HG23 ILE 79 3HG2 ILE 79 -2.262 -1.512 -0.393 515 HD11 ILE 79 1HD1 ILE 79 -3.029 2.340 1.798 516 HD12 ILE 79 2HD1 ILE 79 -3.990 1.338 2.886 517 HD13 ILE 79 3HD1 ILE 79 -2.382 0.811 2.391 518 H ALA 80 H ALA 80 -4.371 -2.987 -2.038 519 HA ALA 80 HA ALA 80 -4.498 -5.539 -0.633 520 HB1 ALA 80 1HB ALA 80 -4.512 -6.543 -2.858 521 HB2 ALA 80 2HB ALA 80 -5.757 -5.302 -2.711 522 HB3 ALA 80 3HB ALA 80 -4.264 -4.954 -3.582 523 H ILE 81 H ILE 81 -2.756 -6.653 -0.045 524 HA ILE 81 HA ILE 81 -0.192 -6.069 -1.368 525 HB ILE 81 HB ILE 81 -0.651 -6.442 1.592 526 HG12 ILE 81 1HG1 ILE 81 0.679 -4.128 0.194 527 HG13 ILE 81 2HG1 ILE 81 -1.059 -4.171 0.470 528 HG21 ILE 81 1HG2 ILE 81 1.360 -7.441 1.533 529 HG22 ILE 81 2HG2 ILE 81 1.735 -6.818 -0.073 530 HG23 ILE 81 3HG2 ILE 81 1.972 -5.797 1.346 531 HD11 ILE 81 1HD1 ILE 81 -0.790 -3.457 2.542 532 HD12 ILE 81 2HD1 ILE 81 0.333 -4.769 2.899 533 HD13 ILE 81 3HD1 ILE 81 0.930 -3.262 2.206 534 H LYS 82 H LYS 82 0.373 -7.844 -2.433 535 HA LYS 82 HA LYS 82 -0.028 -10.453 -1.120 536 HB2 LYS 82 1HB LYS 82 -0.061 -9.801 -4.072 537 HB3 LYS 82 2HB LYS 82 -0.141 -11.426 -3.405 538 HG2 LYS 82 1HG LYS 82 -2.239 -10.828 -2.264 539 HG3 LYS 82 2HG LYS 82 -2.168 -9.233 -3.016 540 HD2 LYS 82 1HD LYS 82 -1.984 -11.625 -4.774 541 HD3 LYS 82 2HD LYS 82 -3.557 -11.216 -4.086 542 HE2 LYS 82 1HE LYS 82 -3.338 -8.941 -5.005 543 HE3 LYS 82 2HE LYS 82 -1.797 -9.398 -5.731 544 HZ1 LYS 82 1HZ LYS 82 -3.107 -11.207 -6.893 545 HZ2 LYS 82 2HZ LYS 82 -3.373 -9.623 -7.424 546 HZ3 LYS 82 3HZ LYS 82 -4.503 -10.378 -6.416 547 H TYR 83 H TYR 83 1.537 -12.144 -1.882 548 HA TYR 83 HA TYR 83 4.020 -11.374 -3.029 549 HB2 TYR 83 1HB TYR 83 4.070 -10.381 -0.652 550 HB3 TYR 83 2HB TYR 83 4.222 -12.046 -0.102 551 HD1 TYR 83 2HD TYR 83 5.862 -9.350 -2.002 552 HD2 TYR 83 1HD TYR 83 6.276 -13.252 -0.357 553 HE1 TYR 83 2HE TYR 83 8.290 -9.245 -2.379 554 HE2 TYR 83 1HE TYR 83 8.705 -13.157 -0.728 555 HH TYR 83 HH TYR 83 10.184 -11.169 -2.727 556 H GLY 84 H GLY 84 5.153 -13.132 -3.698 557 HA2 GLY 84 1HA GLY 84 5.300 -15.346 -4.371 558 HA3 GLY 84 2HA GLY 84 5.507 -15.583 -2.642 559 H GLY 85 H GLY 85 2.703 -14.765 -4.693 560 HA2 GLY 85 1HA GLY 85 1.315 -17.019 -4.906 561 HA3 GLY 85 2HA GLY 85 1.104 -16.689 -3.193 562 HA PRO 86 HA PRO 86 -1.785 -14.138 -6.091 563 HB2 PRO 86 1HB PRO 86 -3.870 -15.846 -6.418 564 HB3 PRO 86 2HB PRO 86 -2.518 -15.752 -7.553 565 HG2 PRO 86 1HG PRO 86 -3.005 -17.716 -5.346 566 HG3 PRO 86 2HG PRO 86 -2.423 -18.008 -6.996 567 HD2 PRO 86 1HD PRO 86 -0.761 -17.911 -4.860 568 HD3 PRO 86 2HD PRO 86 -0.266 -17.381 -6.480 569 H GLN 87 H GLN 87 -1.855 -15.882 -3.192 570 HA GLN 87 HA GLN 87 -4.398 -14.772 -2.300 571 HB2 GLN 87 1HB GLN 87 -2.450 -16.746 -1.155 572 HB3 GLN 87 2HB GLN 87 -3.665 -15.998 -0.126 573 HG2 GLN 87 1HG GLN 87 -5.435 -16.886 -1.505 574 HG3 GLN 87 2HG GLN 87 -4.256 -17.554 -2.633 575 HE21 GLN 87 1HE2 GLN 87 -6.348 -18.860 -1.035 576 HE22 GLN 87 2HE2 GLN 87 -5.537 -20.067 -0.102 577 H HIS 88 H HIS 88 -4.611 -13.347 -0.562 578 HA HIS 88 HA HIS 88 -2.592 -11.363 -0.363 579 HB2 HIS 88 1HB HIS 88 -5.183 -11.831 1.101 580 HB3 HIS 88 2HB HIS 88 -4.114 -10.494 1.516 581 HD1 HIS 88 1HD HIS 88 -4.872 -8.403 0.463 582 HD2 HIS 88 2HD HIS 88 -5.635 -11.696 -1.952 583 HE1 HIS 88 1HE HIS 88 -5.965 -7.481 -1.605 584 HE2 HIS 88 2HE HIS 88 -6.494 -9.500 -3.015 585 H ILE 89 H ILE 89 -1.211 -10.848 1.311 586 HA ILE 89 HA ILE 89 -0.212 -13.013 2.847 587 HB ILE 89 HB ILE 89 1.345 -11.432 3.808 588 HG12 ILE 89 1HG1 ILE 89 -0.009 -9.173 2.363 589 HG13 ILE 89 2HG1 ILE 89 -0.525 -9.628 3.982 590 HG21 ILE 89 1HG2 ILE 89 2.525 -11.376 1.920 591 HG22 ILE 89 2HG2 ILE 89 1.085 -11.990 1.109 592 HG23 ILE 89 3HG2 ILE 89 1.395 -10.255 1.161 593 HD11 ILE 89 1HD1 ILE 89 2.188 -8.656 3.135 594 HD12 ILE 89 2HD1 ILE 89 1.023 -7.839 4.177 595 HD13 ILE 89 3HD1 ILE 89 1.829 -9.305 4.735 596 H VAL 90 H VAL 90 0.185 -12.765 5.260 597 HA VAL 90 HA VAL 90 -2.209 -12.896 6.652 598 HB VAL 90 HB VAL 90 -0.212 -13.884 7.569 599 HG11 VAL 90 1HG1 VAL 90 1.041 -11.555 6.800 600 HG12 VAL 90 2HG1 VAL 90 1.052 -11.460 8.562 601 HG13 VAL 90 3HG1 VAL 90 1.761 -12.856 7.748 602 HG21 VAL 90 1HG2 VAL 90 -1.293 -13.672 9.503 603 HG22 VAL 90 2HG2 VAL 90 -0.312 -12.240 9.816 604 HG23 VAL 90 3HG2 VAL 90 -1.898 -12.075 9.061 605 H GLY 91 H GLY 91 -3.645 -11.355 7.057 606 HA2 GLY 91 1HA GLY 91 -4.195 -9.375 8.327 607 HA3 GLY 91 2HA GLY 91 -2.652 -8.692 7.838 608 H SER 92 H SER 92 -2.836 -9.393 5.072 609 HA SER 92 HA SER 92 -4.377 -7.167 4.160 610 HB2 SER 92 1HB SER 92 -2.827 -9.309 2.694 611 HB3 SER 92 2HB SER 92 -3.649 -7.980 1.876 612 HG SER 92 HG SER 92 -1.627 -7.712 3.853 613 HA PRO 93 HA PRO 93 -5.123 -6.649 1.959 614 HB2 PRO 93 1HB PRO 93 -7.492 -5.361 1.641 615 HB3 PRO 93 2HB PRO 93 -6.890 -6.562 0.492 616 HG2 PRO 93 1HG PRO 93 -8.899 -6.883 2.688 617 HG3 PRO 93 2HG PRO 93 -8.943 -7.511 1.030 618 HD2 PRO 93 1HD PRO 93 -8.232 -9.040 3.148 619 HD3 PRO 93 2HD PRO 93 -7.548 -9.277 1.527 620 H PHE 94 H PHE 94 -5.527 -4.270 2.533 621 HA PHE 94 HA PHE 94 -6.049 -4.038 5.424 622 HB2 PHE 94 1HB PHE 94 -3.887 -2.813 3.729 623 HB3 PHE 94 2HB PHE 94 -4.374 -2.075 5.251 624 HD1 PHE 94 2HD PHE 94 -4.197 -3.443 7.363 625 HD2 PHE 94 1HD PHE 94 -2.421 -4.632 3.682 626 HE1 PHE 94 2HE PHE 94 -2.703 -4.971 8.581 627 HE2 PHE 94 1HE PHE 94 -0.924 -6.162 4.894 628 HZ PHE 94 HZ PHE 94 -1.063 -6.333 7.347 629 H LYS 95 H LYS 95 -7.342 -2.413 6.108 630 HA LYS 95 HA LYS 95 -8.627 -0.795 4.029 631 HB2 LYS 95 1HB LYS 95 -9.834 -2.300 5.840 632 HB3 LYS 95 2HB LYS 95 -9.612 -0.875 6.847 633 HG2 LYS 95 1HG LYS 95 -11.072 0.389 5.626 634 HG3 LYS 95 2HG LYS 95 -10.799 -0.528 4.143 635 HD2 LYS 95 1HD LYS 95 -12.141 -1.785 6.512 636 HD3 LYS 95 2HD LYS 95 -13.055 -0.798 5.369 637 HE2 LYS 95 1HE LYS 95 -11.292 -2.934 4.287 638 HE3 LYS 95 2HE LYS 95 -12.797 -3.418 5.068 639 HZ1 LYS 95 1HZ LYS 95 -12.384 -2.189 2.513 640 HZ2 LYS 95 2HZ LYS 95 -13.544 -1.376 3.437 641 HZ3 LYS 95 3HZ LYS 95 -13.732 -3.024 3.103 642 H ALA 96 H ALA 96 -8.050 1.253 3.793 643 HA ALA 96 HA ALA 96 -6.823 2.644 6.082 644 HB1 ALA 96 1HB ALA 96 -6.439 3.783 3.397 645 HB2 ALA 96 2HB ALA 96 -5.290 3.573 4.720 646 HB3 ALA 96 3HB ALA 96 -5.685 2.212 3.670 647 H LYS 97 H LYS 97 -8.278 3.909 7.041 648 HA LYS 97 HA LYS 97 -10.332 5.235 5.434 649 HB2 LYS 97 1HB LYS 97 -10.937 3.958 7.513 650 HB3 LYS 97 2HB LYS 97 -10.062 5.167 8.443 651 HG2 LYS 97 1HG LYS 97 -11.599 6.884 7.387 652 HG3 LYS 97 2HG LYS 97 -12.570 5.519 6.832 653 HD2 LYS 97 1HD LYS 97 -12.896 4.782 9.117 654 HD3 LYS 97 2HD LYS 97 -11.837 6.064 9.709 655 HE2 LYS 97 1HE LYS 97 -13.998 6.886 10.062 656 HE3 LYS 97 2HE LYS 97 -13.465 7.680 8.581 657 HZ1 LYS 97 1HZ LYS 97 -14.954 5.156 8.391 658 HZ2 LYS 97 2HZ LYS 97 -14.885 6.447 7.300 659 HZ3 LYS 97 3HZ LYS 97 -15.803 6.584 8.714 660 H VAL 98 H VAL 98 -9.620 7.086 4.566 661 HA VAL 98 HA VAL 98 -7.839 8.827 6.086 662 HB VAL 98 HB VAL 98 -8.865 9.139 3.262 663 HG11 VAL 98 1HG1 VAL 98 -7.277 10.868 2.989 664 HG12 VAL 98 2HG1 VAL 98 -8.118 11.216 4.500 665 HG13 VAL 98 3HG1 VAL 98 -6.505 10.504 4.531 666 HG21 VAL 98 1HG2 VAL 98 -7.403 7.117 3.777 667 HG22 VAL 98 2HG2 VAL 98 -6.860 8.189 2.486 668 HG23 VAL 98 3HG2 VAL 98 -6.106 8.273 4.078 669 H THR 99 H THR 99 -8.347 10.885 6.744 670 HA THR 99 HA THR 99 -11.188 11.645 6.529 671 HB THR 99 HB THR 99 -10.560 11.009 8.829 672 HG1 THR 99 1HG THR 99 -12.011 12.489 9.235 673 HG21 THR 99 1HG2 THR 99 -8.144 11.866 8.480 674 HG22 THR 99 2HG2 THR 99 -8.891 12.070 10.064 675 HG23 THR 99 3HG2 THR 99 -8.799 13.434 8.951 676 H GLY 100 H GLY 100 -11.580 14.015 6.774 677 HA2 GLY 100 1HA GLY 100 -10.602 16.257 6.670 678 HA3 GLY 100 2HA GLY 100 -9.353 15.584 5.632 679 HA PRO 101 HA PRO 101 -13.062 17.352 3.216 680 HB2 PRO 101 1HB PRO 101 -11.934 19.681 2.394 681 HB3 PRO 101 2HB PRO 101 -12.872 19.542 3.886 682 HG2 PRO 101 1HG PRO 101 -9.902 19.537 3.508 683 HG3 PRO 101 2HG PRO 101 -10.872 20.366 4.740 684 HD2 PRO 101 1HD PRO 101 -9.562 18.048 5.233 685 HD3 PRO 101 2HD PRO 101 -11.097 18.464 6.022 686 H ARG 102 H ARG 102 -13.208 17.037 1.042 687 HA ARG 102 HA ARG 102 -11.339 15.594 -0.348 688 HB2 ARG 102 1HB ARG 102 -13.816 16.217 -0.915 689 HB3 ARG 102 2HB ARG 102 -13.084 17.529 -1.827 690 HG2 ARG 102 1HG ARG 102 -12.225 14.689 -2.233 691 HG3 ARG 102 2HG ARG 102 -13.638 15.354 -3.056 692 HD2 ARG 102 1HD ARG 102 -10.856 16.511 -3.176 693 HD3 ARG 102 2HD ARG 102 -11.578 15.485 -4.414 694 HE ARG 102 HE ARG 102 -12.064 18.274 -3.986 695 HH11 ARG 102 1HH1 ARG 102 -13.431 15.310 -5.197 696 HH12 ARG 102 2HH1 ARG 102 -14.531 16.105 -6.274 697 HH21 ARG 102 1HH2 ARG 102 -13.508 19.332 -5.400 698 HH22 ARG 102 2HH2 ARG 102 -14.573 18.392 -6.390 699 H LEU 103 H LEU 103 -9.292 16.119 -0.744 700 HA LEU 103 HA LEU 103 -8.666 18.884 -1.528 701 HB2 LEU 103 1HB LEU 103 -7.187 16.780 -0.045 702 HB3 LEU 103 2HB LEU 103 -6.251 17.889 -1.046 703 HG LEU 103 HG LEU 103 -8.177 18.914 1.013 704 HD11 LEU 103 1HD1 LEU 103 -5.395 18.867 1.845 705 HD12 LEU 103 2HD1 LEU 103 -6.079 17.252 1.667 706 HD13 LEU 103 3HD1 LEU 103 -6.853 18.424 2.734 707 HD21 LEU 103 1HD2 LEU 103 -5.615 20.074 -0.067 708 HD22 LEU 103 2HD2 LEU 103 -6.835 20.885 0.915 709 HD23 LEU 103 3HD2 LEU 103 -7.209 20.411 -0.743 710 H SER 104 H SER 104 -8.811 18.972 -3.697 711 HA SER 104 HA SER 104 -6.890 17.473 -5.245 712 HB2 SER 104 1HB SER 104 -9.860 17.134 -5.706 713 HB3 SER 104 2HB SER 104 -8.625 16.667 -6.875 714 HG SER 104 HG SER 104 -9.047 15.626 -4.274 715 H GLY 105 H GLY 105 -6.769 18.232 -7.494 716 HA2 GLY 105 1HA GLY 105 -8.045 20.114 -8.856 717 HA3 GLY 105 2HA GLY 105 -7.318 21.097 -7.594 718 H SER 106 H SER 106 -5.299 21.815 -7.880 719 HA SER 106 HA SER 106 -3.955 21.169 -10.355 720 HB2 SER 106 1HB SER 106 -3.201 23.065 -8.118 721 HB3 SER 106 2HB SER 106 -2.347 22.927 -9.654 722 HG SER 106 HG SER 106 -5.075 23.648 -9.331 723 H GLY 107 H GLY 107 -3.229 20.911 -6.883 724 HA2 GLY 107 1HA GLY 107 -2.207 18.682 -6.300 725 HA3 GLY 107 2HA GLY 107 -1.056 19.034 -7.581 726 HA PRO 108 HA PRO 108 -0.235 21.943 -3.755 727 HB2 PRO 108 1HB PRO 108 -0.961 20.827 -1.389 728 HB3 PRO 108 2HB PRO 108 -2.026 21.889 -2.317 729 HG2 PRO 108 1HG PRO 108 -1.988 18.899 -2.174 730 HG3 PRO 108 2HG PRO 108 -3.376 20.002 -2.153 731 HD2 PRO 108 1HD PRO 108 -2.613 18.663 -4.379 732 HD3 PRO 108 2HD PRO 108 -3.353 20.276 -4.442 733 H SER 109 H SER 109 1.879 21.800 -3.388 734 HA SER 109 HA SER 109 2.975 19.247 -2.407 735 HB2 SER 109 1HB SER 109 5.056 19.813 -3.714 736 HB3 SER 109 2HB SER 109 3.648 19.432 -4.705 737 HG SER 109 HG SER 109 3.520 21.469 -5.344 738 H SER 110 H SER 110 4.585 19.353 -0.869 739 HA SER 110 HA SER 110 4.601 21.651 0.795 740 HB2 SER 110 1HB SER 110 4.898 19.564 1.881 741 HB3 SER 110 2HB SER 110 6.206 19.096 0.794 742 HG SER 110 HG SER 110 7.272 19.773 2.541 743 H GLY 111 H GLY 111 7.274 20.096 -0.996 744 HA2 GLY 111 1HA GLY 111 8.545 22.760 -1.159 745 HA3 GLY 111 2HA GLY 111 9.456 21.270 -0.960
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