NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
573537 | 2ly3 | 18707 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 22 HT1 ALA 22 -15.210 5.264 9.853 2 H2 ALA 22 HT2 ALA 22 -14.354 5.332 11.339 3 H3 ALA 22 HT3 ALA 22 -13.616 4.642 9.952 4 HA ALA 22 HA ALA 22 -14.006 6.898 8.903 5 HB1 ALA 22 HB1 ALA 22 -14.627 7.356 11.757 6 HB2 ALA 22 HB2 ALA 22 -15.229 8.177 10.317 7 HB3 ALA 22 HB3 ALA 22 -13.632 8.570 10.954 8 H ASN 23 HN ASN 23 -12.328 6.176 11.970 9 HA ASN 23 HA ASN 23 -9.866 7.308 11.094 10 HB2 ASN 23 HB2 ASN 23 -10.915 6.094 13.512 11 HB3 ASN 23 HB1 ASN 23 -9.277 5.541 13.181 12 HD21 ASN 23 HD21 ASN 23 -7.603 6.885 13.517 13 HD22 ASN 23 HD22 ASN 23 -7.754 8.510 14.084 14 H VAL 24 HN VAL 24 -9.091 6.382 9.244 15 HA VAL 24 HA VAL 24 -8.100 3.644 9.515 16 HB VAL 24 HB VAL 24 -8.906 2.882 7.435 17 HG11 VAL 24 HG11 VAL 24 -10.586 3.314 9.433 18 HG12 VAL 24 HG12 VAL 24 -11.131 2.660 7.888 19 HG13 VAL 24 HG13 VAL 24 -11.345 4.374 8.244 20 HG21 VAL 24 HG21 VAL 24 -9.771 5.720 6.901 21 HG22 VAL 24 HG22 VAL 24 -10.201 4.343 5.887 22 HG23 VAL 24 HG23 VAL 24 -8.510 4.810 6.070 23 H ARG 25 HN ARG 25 -6.060 3.469 8.889 24 HA ARG 25 HA ARG 25 -4.977 5.159 6.792 25 HB2 ARG 25 HB2 ARG 25 -3.992 5.232 9.642 26 HB3 ARG 25 HB1 ARG 25 -3.004 5.754 8.284 27 HG2 ARG 25 HG2 ARG 25 -4.483 7.530 7.773 28 HG3 ARG 25 HG1 ARG 25 -5.717 6.907 8.870 29 HD2 ARG 25 HD2 ARG 25 -4.716 7.775 10.698 30 HD3 ARG 25 HD1 ARG 25 -3.092 7.461 10.086 31 HE ARG 25 HE ARG 25 -3.046 9.577 9.209 32 HH11 ARG 25 HH11 ARG 25 -6.330 8.779 10.078 33 HH12 ARG 25 HH12 ARG 25 -6.924 10.383 9.810 34 HH21 ARG 25 HH21 ARG 25 -3.825 11.689 8.857 35 HH22 ARG 25 HH22 ARG 25 -5.502 12.035 9.117 36 H LEU 26 HN LEU 26 -4.421 3.441 5.521 37 HA LEU 26 HA LEU 26 -3.295 1.044 6.540 38 HB2 LEU 26 HB2 LEU 26 -3.889 2.164 3.876 39 HB3 LEU 26 HB1 LEU 26 -2.553 1.026 3.922 40 HG LEU 26 HG LEU 26 -3.936 -0.725 4.744 41 HD11 LEU 26 HD11 LEU 26 -6.153 1.302 5.007 42 HD12 LEU 26 HD12 LEU 26 -5.237 0.600 6.342 43 HD13 LEU 26 HD13 LEU 26 -6.270 -0.425 5.345 44 HD21 LEU 26 HD21 LEU 26 -5.564 0.739 2.676 45 HD22 LEU 26 HD22 LEU 26 -5.520 -0.999 2.973 46 HD23 LEU 26 HD23 LEU 26 -4.100 -0.180 2.322 47 H GLN 27 HN GLN 27 -1.241 0.430 6.856 48 HA GLN 27 HA GLN 27 0.791 2.493 6.781 49 HB2 GLN 27 HB2 GLN 27 0.565 1.052 8.757 50 HB3 GLN 27 HB1 GLN 27 0.927 -0.358 7.772 51 HG2 GLN 27 HG2 GLN 27 3.029 -0.058 8.432 52 HG3 GLN 27 HG1 GLN 27 3.066 1.259 7.261 53 HE21 GLN 27 HE21 GLN 27 4.462 0.844 9.849 54 HE22 GLN 27 HE22 GLN 27 4.116 2.259 10.779 55 H VAL 28 HN VAL 28 2.574 2.548 5.524 56 HA VAL 28 HA VAL 28 2.704 0.594 3.327 57 HB VAL 28 HB VAL 28 4.279 2.431 2.342 58 HG11 VAL 28 HG11 VAL 28 2.591 2.872 0.948 59 HG12 VAL 28 HG12 VAL 28 1.559 3.487 2.238 60 HG13 VAL 28 HG13 VAL 28 1.664 1.751 1.945 61 HG21 VAL 28 HG21 VAL 28 3.889 4.663 3.038 62 HG22 VAL 28 HG22 VAL 28 4.244 3.739 4.498 63 HG23 VAL 28 HG23 VAL 28 2.579 4.173 4.112 64 H GLU 29 HN GLU 29 4.716 -0.281 2.702 65 HA GLU 29 HA GLU 29 7.047 0.267 4.337 66 HB2 GLU 29 HB2 GLU 29 5.438 -2.222 4.561 67 HB3 GLU 29 HB1 GLU 29 7.188 -2.388 4.584 68 HG2 GLU 29 HG2 GLU 29 7.167 -0.616 6.411 69 HG3 GLU 29 HG1 GLU 29 5.429 -0.901 6.502 70 H GLY 30 HN GLY 30 8.751 0.313 3.054 71 HA2 GLY 30 HA2 GLY 30 10.272 -0.690 1.547 72 HA3 GLY 30 HA1 GLY 30 8.953 -1.611 0.849 73 H LEU 31 HN LEU 31 9.021 1.849 1.461 74 HA LEU 31 HA LEU 31 9.338 2.381 -1.386 75 HB2 LEU 31 HB2 LEU 31 7.137 3.723 0.131 76 HB3 LEU 31 HB1 LEU 31 7.410 3.685 -1.591 77 HG LEU 31 HG LEU 31 6.793 1.155 -0.121 78 HD11 LEU 31 HD11 LEU 31 5.033 2.615 0.558 79 HD12 LEU 31 HD12 LEU 31 4.408 1.554 -0.704 80 HD13 LEU 31 HD13 LEU 31 4.836 3.223 -1.083 81 HD21 LEU 31 HD21 LEU 31 7.363 0.610 -2.268 82 HD22 LEU 31 HD22 LEU 31 6.783 2.138 -2.928 83 HD23 LEU 31 HD23 LEU 31 5.632 0.882 -2.468 84 H SER 32 HN SER 32 9.511 4.773 -1.790 85 HA SER 32 HA SER 32 10.270 6.490 0.357 86 HB2 SER 32 HB2 SER 32 12.360 5.091 -1.271 87 HB3 SER 32 HB1 SER 32 12.666 6.724 -0.678 88 HG SER 32 HG SER 32 12.743 6.001 1.331 89 H GLY 33 HN GLY 33 10.990 8.618 -0.421 90 HA2 GLY 33 HA2 GLY 33 10.637 10.461 -1.741 91 HA3 GLY 33 HA1 GLY 33 11.182 9.430 -3.053 92 H GLN 34 HN GLN 34 9.842 9.534 -4.706 93 HA GLN 34 HA GLN 34 7.104 10.324 -4.403 94 HB2 GLN 34 HB2 GLN 34 8.895 10.590 -6.409 95 HB3 GLN 34 HB1 GLN 34 7.992 9.197 -6.989 96 HG2 GLN 34 HG2 GLN 34 5.902 10.522 -6.694 97 HG3 GLN 34 HG1 GLN 34 6.908 11.921 -6.319 98 HE21 GLN 34 HE21 GLN 34 5.300 12.319 -8.321 99 HE22 GLN 34 HE22 GLN 34 6.099 12.223 -9.849 100 H LEU 35 HN LEU 35 8.663 7.355 -4.150 101 HA LEU 35 HA LEU 35 6.605 5.719 -5.280 102 HB2 LEU 35 HB2 LEU 35 8.776 4.977 -3.356 103 HB3 LEU 35 HB1 LEU 35 7.831 3.861 -4.280 104 HG LEU 35 HG LEU 35 10.172 5.478 -5.056 105 HD11 LEU 35 HD11 LEU 35 10.959 3.499 -5.698 106 HD12 LEU 35 HD12 LEU 35 9.505 3.128 -6.626 107 HD13 LEU 35 HD13 LEU 35 9.554 2.802 -4.892 108 HD21 LEU 35 HD21 LEU 35 9.106 6.527 -6.724 109 HD22 LEU 35 HD22 LEU 35 7.728 5.431 -6.669 110 HD23 LEU 35 HD23 LEU 35 9.193 4.957 -7.522 111 H GLU 36 HN GLU 36 7.736 6.322 -1.968 112 HA GLU 36 HA GLU 36 5.639 4.996 -0.674 113 HB2 GLU 36 HB2 GLU 36 6.512 5.865 1.303 114 HB3 GLU 36 HB1 GLU 36 7.904 5.840 0.239 115 HG2 GLU 36 HG2 GLU 36 7.542 8.238 -0.232 116 HG3 GLU 36 HG1 GLU 36 6.222 8.236 0.937 117 H LYS 37 HN LYS 37 5.934 8.259 -1.921 118 HA LYS 37 HA LYS 37 3.621 9.290 -0.628 119 HB2 LYS 37 HB2 LYS 37 3.980 11.256 -1.821 120 HB3 LYS 37 HB1 LYS 37 5.595 10.579 -1.697 121 HG2 LYS 37 HG2 LYS 37 5.497 11.280 -3.886 122 HG3 LYS 37 HG1 LYS 37 5.108 9.566 -4.013 123 HD2 LYS 37 HD2 LYS 37 3.069 9.998 -4.828 124 HD3 LYS 37 HD1 LYS 37 2.747 11.204 -3.580 125 HE2 LYS 37 HE2 LYS 37 4.473 11.734 -5.989 126 HE3 LYS 37 HE1 LYS 37 2.739 12.053 -5.954 127 HZ1 LYS 37 HZ1 LYS 37 2.999 13.711 -4.369 128 HZ2 LYS 37 HZ2 LYS 37 4.323 13.955 -5.393 129 HZ3 LYS 37 HZ3 LYS 37 4.538 13.184 -3.903 130 H ASN 38 HN ASN 38 4.209 7.864 -3.826 131 HA ASN 38 HA ASN 38 1.642 8.307 -4.883 132 HB2 ASN 38 HB2 ASN 38 4.007 7.036 -5.721 133 HB3 ASN 38 HB1 ASN 38 2.752 5.805 -5.809 134 HD21 ASN 38 HD21 ASN 38 1.030 6.082 -7.220 135 HD22 ASN 38 HD22 ASN 38 1.070 7.236 -8.505 136 H VAL 39 HN VAL 39 3.001 5.425 -3.288 137 HA VAL 39 HA VAL 39 0.693 3.868 -3.284 138 HB VAL 39 HB VAL 39 2.836 3.923 -1.149 139 HG11 VAL 39 HG11 VAL 39 0.691 1.946 -1.857 140 HG12 VAL 39 HG12 VAL 39 1.063 2.657 -0.287 141 HG13 VAL 39 HG13 VAL 39 2.151 1.462 -0.994 142 HG21 VAL 39 HG21 VAL 39 2.720 2.730 -3.876 143 HG22 VAL 39 HG22 VAL 39 3.562 1.853 -2.599 144 HG23 VAL 39 HG23 VAL 39 4.071 3.484 -3.032 145 H ARG 40 HN ARG 40 1.752 6.419 -1.102 146 HA ARG 40 HA ARG 40 -0.121 6.075 0.946 147 HB2 ARG 40 HB2 ARG 40 1.888 7.683 0.827 148 HB3 ARG 40 HB1 ARG 40 0.800 8.778 -0.015 149 HG2 ARG 40 HG2 ARG 40 -0.428 9.221 1.850 150 HG3 ARG 40 HG1 ARG 40 -0.106 7.643 2.572 151 HD2 ARG 40 HD2 ARG 40 2.290 8.422 2.857 152 HD3 ARG 40 HD1 ARG 40 1.713 10.035 2.443 153 HE ARG 40 HE ARG 40 0.223 8.815 4.567 154 HH11 ARG 40 HH11 ARG 40 3.092 10.645 3.796 155 HH12 ARG 40 HH12 ARG 40 3.231 11.332 5.379 156 HH21 ARG 40 HH21 ARG 40 0.403 9.718 6.650 157 HH22 ARG 40 HH22 ARG 40 1.705 10.805 7.000 158 H ALA 41 HN ALA 41 -0.298 7.938 -2.069 159 HA ALA 41 HA ALA 41 -2.835 9.054 -1.719 160 HB1 ALA 41 HB1 ALA 41 -1.937 9.986 -3.568 161 HB2 ALA 41 HB2 ALA 41 -2.760 8.667 -4.400 162 HB3 ALA 41 HB3 ALA 41 -1.048 8.524 -3.998 163 H GLN 42 HN GLN 42 -1.855 5.961 -3.174 164 HA GLN 42 HA GLN 42 -4.445 5.089 -3.842 165 HB2 GLN 42 HB2 GLN 42 -2.211 3.237 -3.042 166 HB3 GLN 42 HB1 GLN 42 -3.480 2.969 -4.228 167 HG2 GLN 42 HG2 GLN 42 -1.084 4.765 -4.480 168 HG3 GLN 42 HG1 GLN 42 -1.449 3.314 -5.398 169 HE21 GLN 42 HE21 GLN 42 -0.835 5.576 -6.728 170 HE22 GLN 42 HE22 GLN 42 -2.236 6.222 -7.504 171 H LEU 43 HN LEU 43 -2.398 4.562 -1.000 172 HA LEU 43 HA LEU 43 -3.950 2.868 0.489 173 HB2 LEU 43 HB2 LEU 43 -2.318 5.222 1.421 174 HB3 LEU 43 HB1 LEU 43 -2.990 4.019 2.500 175 HG LEU 43 HG LEU 43 -0.577 3.918 0.852 176 HD11 LEU 43 HD11 LEU 43 -1.638 2.674 3.346 177 HD12 LEU 43 HD12 LEU 43 -0.214 3.688 3.113 178 HD13 LEU 43 HD13 LEU 43 -0.201 2.009 2.572 179 HD21 LEU 43 HD21 LEU 43 -1.817 2.425 -0.552 180 HD22 LEU 43 HD22 LEU 43 -2.467 1.569 0.846 181 HD23 LEU 43 HD23 LEU 43 -0.748 1.459 0.466 182 H SER 44 HN SER 44 -4.400 6.286 -0.082 183 HA SER 44 HA SER 44 -6.495 6.573 1.863 184 HB2 SER 44 HB2 SER 44 -5.170 8.320 -0.142 185 HB3 SER 44 HB1 SER 44 -6.812 8.755 0.330 186 HG SER 44 HG SER 44 -5.666 9.725 1.858 187 H THR 45 HN THR 45 -6.295 5.982 -1.604 188 HA THR 45 HA THR 45 -9.135 6.287 -1.983 189 HB THR 45 HB THR 45 -7.267 6.721 -3.707 190 HG1 THR 45 HG1 THR 45 -9.278 6.927 -4.458 191 HG21 THR 45 HG21 THR 45 -7.669 4.135 -4.926 192 HG22 THR 45 HG22 THR 45 -6.769 4.019 -3.415 193 HG23 THR 45 HG23 THR 45 -6.189 5.068 -4.708 194 H ILE 46 HN ILE 46 -7.225 3.788 -0.760 195 HA ILE 46 HA ILE 46 -8.432 1.504 -1.836 196 HB ILE 46 HB ILE 46 -7.314 1.856 0.948 197 HG12 ILE 46 HG12 ILE 46 -6.049 0.951 -1.646 198 HG13 ILE 46 HG11 ILE 46 -5.672 2.413 -0.744 199 HG21 ILE 46 HG21 ILE 46 -8.604 -0.135 0.944 200 HG22 ILE 46 HG22 ILE 46 -6.927 -0.634 0.740 201 HG23 ILE 46 HG23 ILE 46 -8.012 -0.599 -0.649 202 HD11 ILE 46 HD11 ILE 46 -4.647 1.194 0.981 203 HD12 ILE 46 HD12 ILE 46 -4.042 0.527 -0.533 204 HD13 ILE 46 HD13 ILE 46 -5.285 -0.333 0.377 205 H GLU 47 HN GLU 47 -9.920 0.013 -0.723 206 HA GLU 47 HA GLU 47 -12.359 1.296 -0.082 207 HB2 GLU 47 HB2 GLU 47 -11.694 -1.610 0.362 208 HB3 GLU 47 HB1 GLU 47 -13.282 -0.900 0.109 209 HG2 GLU 47 HG2 GLU 47 -11.422 -0.349 -2.061 210 HG3 GLU 47 HG1 GLU 47 -11.714 -2.069 -1.807 211 H SER 48 HN SER 48 -9.737 1.005 1.868 212 HA SER 48 HA SER 48 -10.756 0.002 4.275 213 HB2 SER 48 HB2 SER 48 -8.309 0.837 3.448 214 HB3 SER 48 HB1 SER 48 -8.769 2.172 4.503 215 HG SER 48 HG SER 48 -8.417 0.924 6.144 216 H ASP 49 HN ASP 49 -12.188 2.413 2.743 217 HA ASP 49 HA ASP 49 -12.392 4.393 4.805 218 HB2 ASP 49 HB2 ASP 49 -12.824 4.469 2.141 219 HB3 ASP 49 HB1 ASP 49 -14.478 4.259 2.707 220 H GLU 50 HN GLU 50 -13.051 1.714 5.665 221 HA GLU 50 HA GLU 50 -14.479 0.924 7.274 222 HB2 GLU 50 HB2 GLU 50 -15.466 3.462 7.065 223 HB3 GLU 50 HB1 GLU 50 -16.845 2.511 6.530 224 HG2 GLU 50 HG2 GLU 50 -15.559 1.478 8.936 225 HG3 GLU 50 HG1 GLU 50 -16.225 3.101 9.118 226 H VAL 51 HN VAL 51 -14.198 -0.799 5.670 227 HA VAL 51 HA VAL 51 -16.799 -1.562 4.558 228 HB VAL 51 HB VAL 51 -15.896 -2.301 2.487 229 HG11 VAL 51 HG11 VAL 51 -16.398 0.047 2.509 230 HG12 VAL 51 HG12 VAL 51 -14.940 -0.208 1.549 231 HG13 VAL 51 HG13 VAL 51 -14.815 0.422 3.191 232 HG21 VAL 51 HG21 VAL 51 -13.273 -1.934 3.847 233 HG22 VAL 51 HG22 VAL 51 -13.352 -1.719 2.099 234 HG23 VAL 51 HG23 VAL 51 -13.839 -3.252 2.821 235 H THR 52 HN THR 52 -16.092 -3.991 3.465 236 HA THR 52 HA THR 52 -15.398 -5.511 5.874 237 HB THR 52 HB THR 52 -16.761 -6.360 3.310 238 HG1 THR 52 HG1 THR 52 -18.591 -6.399 4.543 239 HG21 THR 52 HG21 THR 52 -16.043 -8.407 3.891 240 HG22 THR 52 HG22 THR 52 -17.377 -8.308 5.041 241 HG23 THR 52 HG23 THR 52 -15.732 -7.944 5.564 242 HA PRO 53 HA PRO 53 -11.488 -5.970 3.553 243 HB2 PRO 53 HB2 PRO 53 -10.001 -6.672 5.717 244 HB3 PRO 53 HB1 PRO 53 -10.364 -4.995 5.297 245 HG2 PRO 53 HG2 PRO 53 -11.683 -6.770 7.314 246 HG3 PRO 53 HG1 PRO 53 -11.214 -5.066 7.459 247 HD2 PRO 53 HD2 PRO 53 -13.759 -5.827 6.960 248 HD3 PRO 53 HD1 PRO 53 -13.070 -4.326 6.307 249 H ASP 54 HN ASP 54 -11.387 -7.758 2.395 250 HA ASP 54 HA ASP 54 -10.981 -10.313 3.707 251 HB2 ASP 54 HB2 ASP 54 -13.409 -9.597 2.211 252 HB3 ASP 54 HB1 ASP 54 -12.647 -11.089 1.666 253 H ARG 55 HN ARG 55 -10.748 -12.016 1.714 254 HA ARG 55 HA ARG 55 -8.338 -11.564 0.525 255 HB2 ARG 55 HB2 ARG 55 -9.129 -13.223 -1.261 256 HB3 ARG 55 HB1 ARG 55 -9.160 -13.759 0.413 257 HG2 ARG 55 HG2 ARG 55 -11.660 -12.526 -0.321 258 HG3 ARG 55 HG1 ARG 55 -11.248 -13.841 -1.423 259 HD2 ARG 55 HD2 ARG 55 -10.725 -15.160 0.745 260 HD3 ARG 55 HD1 ARG 55 -11.696 -13.920 1.537 261 HE ARG 55 HE ARG 55 -13.286 -14.733 -0.488 262 HH11 ARG 55 HH11 ARG 55 -11.564 -16.451 2.015 263 HH12 ARG 55 HH12 ARG 55 -12.715 -17.743 2.092 264 HH21 ARG 55 HH21 ARG 55 -14.799 -16.431 -0.388 265 HH22 ARG 55 HH22 ARG 55 -14.551 -17.732 0.728 266 H ARG 56 HN ARG 56 -11.445 -10.390 -0.509 267 HA ARG 56 HA ARG 56 -10.584 -9.570 -3.119 268 HB2 ARG 56 HB2 ARG 56 -12.760 -8.370 -3.184 269 HB3 ARG 56 HB1 ARG 56 -12.921 -10.072 -2.777 270 HG2 ARG 56 HG2 ARG 56 -14.231 -9.344 -1.123 271 HG3 ARG 56 HG1 ARG 56 -12.720 -8.937 -0.310 272 HD2 ARG 56 HD2 ARG 56 -13.202 -6.770 -0.381 273 HD3 ARG 56 HD1 ARG 56 -13.453 -6.837 -2.125 274 HE ARG 56 HE ARG 56 -15.463 -6.729 -0.115 275 HH11 ARG 56 HH11 ARG 56 -14.759 -8.038 -3.272 276 HH12 ARG 56 HH12 ARG 56 -16.422 -8.115 -3.749 277 HH21 ARG 56 HH21 ARG 56 -17.650 -6.828 -0.740 278 HH22 ARG 56 HH22 ARG 56 -18.064 -7.427 -2.312 279 H PHE 57 HN PHE 57 -11.024 -8.011 0.015 280 HA PHE 57 HA PHE 57 -10.529 -5.359 -0.826 281 HB2 PHE 57 HB2 PHE 57 -11.531 -5.979 1.369 282 HB3 PHE 57 HB1 PHE 57 -9.973 -6.621 1.869 283 HD1 PHE 57 HD2 PHE 57 -7.972 -4.883 1.640 284 HD2 PHE 57 HD1 PHE 57 -12.086 -3.863 2.027 285 HE1 PHE 57 HE2 PHE 57 -7.338 -2.666 2.495 286 HE2 PHE 57 HE1 PHE 57 -11.461 -1.644 2.886 287 HZ PHE 57 HZ PHE 57 -9.082 -1.044 3.118 288 H ARG 58 HN ARG 58 -8.495 -7.954 0.398 289 HA ARG 58 HA ARG 58 -6.057 -6.680 0.590 290 HB2 ARG 58 HB2 ARG 58 -7.072 -9.327 0.587 291 HB3 ARG 58 HB1 ARG 58 -5.697 -9.299 -0.499 292 HG2 ARG 58 HG2 ARG 58 -4.802 -9.848 1.570 293 HG3 ARG 58 HG1 ARG 58 -4.461 -8.127 1.404 294 HD2 ARG 58 HD2 ARG 58 -5.364 -7.968 3.451 295 HD3 ARG 58 HD1 ARG 58 -6.902 -8.083 2.598 296 HE ARG 58 HE ARG 58 -7.199 -10.179 3.476 297 HH11 ARG 58 HH11 ARG 58 -3.876 -9.215 3.932 298 HH12 ARG 58 HH12 ARG 58 -3.495 -10.559 4.955 299 HH21 ARG 58 HH21 ARG 58 -6.700 -11.947 4.822 300 HH22 ARG 58 HH22 ARG 58 -5.098 -12.111 5.460 301 H ALA 59 HN ALA 59 -7.646 -8.071 -2.246 302 HA ALA 59 HA ALA 59 -5.476 -7.707 -4.034 303 HB1 ALA 59 HB1 ALA 59 -6.912 -8.419 -5.714 304 HB2 ALA 59 HB2 ALA 59 -8.334 -7.738 -4.925 305 HB3 ALA 59 HB3 ALA 59 -7.578 -9.193 -4.276 306 H ARG 60 HN ARG 60 -8.332 -5.757 -3.259 307 HA ARG 60 HA ARG 60 -8.006 -3.760 -5.182 308 HB2 ARG 60 HB2 ARG 60 -9.320 -3.887 -2.500 309 HB3 ARG 60 HB1 ARG 60 -9.135 -2.321 -3.276 310 HG2 ARG 60 HG2 ARG 60 -10.954 -2.710 -4.468 311 HG3 ARG 60 HG1 ARG 60 -10.158 -4.093 -5.221 312 HD2 ARG 60 HD2 ARG 60 -10.881 -5.107 -2.790 313 HD3 ARG 60 HD1 ARG 60 -12.210 -4.000 -3.132 314 HE ARG 60 HE ARG 60 -11.701 -6.498 -4.395 315 HH11 ARG 60 HH11 ARG 60 -12.967 -3.298 -4.973 316 HH12 ARG 60 HH12 ARG 60 -14.001 -3.804 -6.266 317 HH21 ARG 60 HH21 ARG 60 -13.060 -7.166 -6.097 318 HH22 ARG 60 HH22 ARG 60 -14.054 -6.000 -6.904 319 H VAL 61 HN VAL 61 -6.499 -4.231 -2.056 320 HA VAL 61 HA VAL 61 -5.247 -1.675 -1.913 321 HB VAL 61 HB VAL 61 -4.353 -4.217 -0.556 322 HG11 VAL 61 HG11 VAL 61 -3.897 -2.173 1.177 323 HG12 VAL 61 HG12 VAL 61 -3.590 -1.398 -0.376 324 HG13 VAL 61 HG13 VAL 61 -2.696 -2.847 0.075 325 HG21 VAL 61 HG21 VAL 61 -6.850 -3.124 -0.320 326 HG22 VAL 61 HG22 VAL 61 -5.975 -2.369 1.011 327 HG23 VAL 61 HG23 VAL 61 -6.051 -4.126 0.890 328 H ASP 62 HN ASP 62 -4.054 -4.927 -2.732 329 HA ASP 62 HA ASP 62 -1.438 -4.236 -3.343 330 HB2 ASP 62 HB2 ASP 62 -2.647 -6.570 -3.211 331 HB3 ASP 62 HB1 ASP 62 -2.828 -6.346 -4.948 332 H ASP 63 HN ASP 63 -4.274 -4.389 -5.464 333 HA ASP 63 HA ASP 63 -3.000 -3.709 -7.859 334 HB2 ASP 63 HB2 ASP 63 -5.424 -4.515 -7.432 335 HB3 ASP 63 HB1 ASP 63 -5.797 -2.813 -7.191 336 H ALA 64 HN ALA 64 -4.490 -1.684 -5.367 337 HA ALA 64 HA ALA 64 -4.220 0.796 -6.604 338 HB1 ALA 64 HB1 ALA 64 -4.929 1.656 -4.644 339 HB2 ALA 64 HB2 ALA 64 -3.737 0.763 -3.700 340 HB3 ALA 64 HB3 ALA 64 -5.217 -0.034 -4.233 341 H ILE 65 HN ILE 65 -2.030 -0.638 -4.175 342 HA ILE 65 HA ILE 65 0.011 1.250 -4.380 343 HB ILE 65 HB ILE 65 0.251 -1.695 -3.751 344 HG12 ILE 65 HG12 ILE 65 0.524 -0.003 -1.469 345 HG13 ILE 65 HG11 ILE 65 -0.945 0.460 -2.319 346 HG21 ILE 65 HG21 ILE 65 2.404 -0.713 -4.365 347 HG22 ILE 65 HG22 ILE 65 2.352 -1.117 -2.648 348 HG23 ILE 65 HG23 ILE 65 2.169 0.559 -3.165 349 HD11 ILE 65 HD11 ILE 65 -0.499 -1.750 -0.601 350 HD12 ILE 65 HD12 ILE 65 -0.880 -2.361 -2.211 351 HD13 ILE 65 HD13 ILE 65 -1.988 -1.252 -1.403 352 H ARG 66 HN ARG 66 -0.192 -1.951 -5.907 353 HA ARG 66 HA ARG 66 2.106 -1.833 -7.441 354 HB2 ARG 66 HB2 ARG 66 0.632 -3.830 -7.090 355 HB3 ARG 66 HB1 ARG 66 -0.501 -3.142 -8.240 356 HG2 ARG 66 HG2 ARG 66 1.009 -3.388 -10.032 357 HG3 ARG 66 HG1 ARG 66 2.359 -3.710 -8.942 358 HD2 ARG 66 HD2 ARG 66 -0.048 -5.500 -9.046 359 HD3 ARG 66 HD1 ARG 66 1.299 -5.699 -10.166 360 HE ARG 66 HE ARG 66 2.235 -5.594 -7.497 361 HH11 ARG 66 HH11 ARG 66 0.590 -7.700 -9.741 362 HH12 ARG 66 HH12 ARG 66 1.135 -9.152 -8.972 363 HH21 ARG 66 HH21 ARG 66 2.954 -7.503 -6.484 364 HH22 ARG 66 HH22 ARG 66 2.477 -9.041 -7.122 365 H GLU 67 HN GLU 67 -1.107 -0.528 -8.152 366 HA GLU 67 HA GLU 67 -0.589 0.141 -10.852 367 HB2 GLU 67 HB2 GLU 67 -2.584 1.034 -8.800 368 HB3 GLU 67 HB1 GLU 67 -2.432 1.947 -10.295 369 HG2 GLU 67 HG2 GLU 67 -2.693 -0.982 -10.554 370 HG3 GLU 67 HG1 GLU 67 -4.113 -0.101 -9.992 371 H GLY 68 HN GLY 68 -0.616 2.224 -7.938 372 HA2 GLY 68 HA2 GLY 68 0.547 4.454 -9.232 373 HA3 GLY 68 HA1 GLY 68 0.522 4.175 -7.493 374 H LEU 69 HN LEU 69 1.871 1.667 -7.586 375 HA LEU 69 HA LEU 69 4.572 2.547 -7.524 376 HB2 LEU 69 HB2 LEU 69 3.198 -0.098 -7.162 377 HB3 LEU 69 HB1 LEU 69 4.923 -0.054 -7.273 378 HG LEU 69 HG LEU 69 3.162 0.981 -5.096 379 HD11 LEU 69 HD11 LEU 69 4.478 -1.275 -5.243 380 HD12 LEU 69 HD12 LEU 69 4.423 -0.364 -3.733 381 HD13 LEU 69 HD13 LEU 69 5.847 -0.268 -4.770 382 HD21 LEU 69 HD21 LEU 69 5.262 2.128 -4.193 383 HD22 LEU 69 HD22 LEU 69 4.383 2.953 -5.480 384 HD23 LEU 69 HD23 LEU 69 5.863 2.071 -5.849 385 H LYS 70 HN LYS 70 2.576 0.831 -9.796 386 HA LYS 70 HA LYS 70 4.634 -0.095 -11.493 387 HB2 LYS 70 HB2 LYS 70 2.529 -1.169 -11.656 388 HB3 LYS 70 HB1 LYS 70 1.686 0.356 -11.884 389 HG2 LYS 70 HG2 LYS 70 2.719 0.598 -14.083 390 HG3 LYS 70 HG1 LYS 70 3.561 -0.935 -13.856 391 HD2 LYS 70 HD2 LYS 70 0.670 -1.081 -13.420 392 HD3 LYS 70 HD1 LYS 70 1.126 -0.629 -15.064 393 HE2 LYS 70 HE2 LYS 70 2.775 -2.615 -14.896 394 HE3 LYS 70 HE1 LYS 70 1.765 -3.126 -13.542 395 HZ1 LYS 70 HZ1 LYS 70 1.164 -3.075 -16.393 396 HZ2 LYS 70 HZ2 LYS 70 -0.105 -2.677 -15.349 397 HZ3 LYS 70 HZ3 LYS 70 0.673 -4.172 -15.202 398 H ALA 71 HN ALA 71 3.199 2.984 -11.040 399 HA ALA 71 HA ALA 71 4.116 3.938 -13.637 400 HB1 ALA 71 HB1 ALA 71 2.236 5.098 -13.587 401 HB2 ALA 71 HB2 ALA 71 2.889 6.041 -12.247 402 HB3 ALA 71 HB3 ALA 71 1.933 4.594 -11.925 403 H LEU 72 HN LEU 72 5.423 3.708 -10.601 404 HA LEU 72 HA LEU 72 6.994 6.171 -11.002 405 HB2 LEU 72 HB2 LEU 72 7.446 5.891 -8.481 406 HB3 LEU 72 HB1 LEU 72 5.894 6.519 -9.004 407 HG LEU 72 HG LEU 72 5.107 4.055 -8.849 408 HD11 LEU 72 HD11 LEU 72 6.889 3.557 -6.639 409 HD12 LEU 72 HD12 LEU 72 7.780 3.707 -8.152 410 HD13 LEU 72 HD13 LEU 72 6.479 2.532 -8.010 411 HD21 LEU 72 HD21 LEU 72 5.367 6.172 -6.875 412 HD22 LEU 72 HD22 LEU 72 5.235 4.576 -6.139 413 HD23 LEU 72 HD23 LEU 72 3.988 5.139 -7.250 414 H GLY 73 HN GLY 73 7.481 3.292 -11.951 415 HA2 GLY 73 HA2 GLY 73 9.910 2.866 -12.416 416 HA3 GLY 73 HA1 GLY 73 10.141 3.016 -10.689 417 H TYR 74 HN TYR 74 7.372 1.463 -10.602 418 HA TYR 74 HA TYR 74 8.700 -1.156 -10.718 419 HB2 TYR 74 HB2 TYR 74 6.244 -0.306 -9.179 420 HB3 TYR 74 HB1 TYR 74 6.976 -1.899 -9.143 421 HD1 TYR 74 HD1 TYR 74 9.740 -1.574 -8.767 422 HD2 TYR 74 HD2 TYR 74 6.610 0.861 -7.235 423 HE1 TYR 74 HE1 TYR 74 11.206 -0.849 -6.933 424 HE2 TYR 74 HE2 TYR 74 8.069 1.600 -5.402 425 HH TYR 74 HH TYR 74 10.500 0.193 -4.310 426 H TYR 75 HN TYR 75 7.103 -3.010 -11.090 427 HA TYR 75 HA TYR 75 5.252 -2.296 -13.263 428 HB2 TYR 75 HB2 TYR 75 7.419 -4.321 -13.170 429 HB3 TYR 75 HB1 TYR 75 5.920 -4.798 -13.964 430 HD1 TYR 75 HD1 TYR 75 4.997 -3.146 -15.745 431 HD2 TYR 75 HD2 TYR 75 9.014 -3.138 -14.355 432 HE1 TYR 75 HE1 TYR 75 5.684 -1.947 -17.775 433 HE2 TYR 75 HE2 TYR 75 9.721 -1.938 -16.387 434 HH TYR 75 HH TYR 75 7.660 -0.367 -18.402 435 H GLN 76 HN GLN 76 6.071 -4.760 -10.831 436 HA GLN 76 HA GLN 76 3.300 -4.969 -10.085 437 HB2 GLN 76 HB2 GLN 76 4.715 -7.305 -11.371 438 HB3 GLN 76 HB1 GLN 76 3.233 -7.455 -10.437 439 HG2 GLN 76 HG2 GLN 76 2.132 -5.910 -12.031 440 HG3 GLN 76 HG1 GLN 76 3.606 -5.924 -12.999 441 HE21 GLN 76 HE21 GLN 76 0.632 -7.317 -12.568 442 HE22 GLN 76 HE22 GLN 76 0.875 -8.773 -13.466 443 HA PRO 77 HA PRO 77 6.836 -5.641 -6.892 444 HB2 PRO 77 HB2 PRO 77 4.989 -3.671 -5.607 445 HB3 PRO 77 HB1 PRO 77 6.751 -3.795 -5.501 446 HG2 PRO 77 HG2 PRO 77 5.632 -1.956 -7.032 447 HG3 PRO 77 HG1 PRO 77 7.068 -2.840 -7.583 448 HD2 PRO 77 HD2 PRO 77 4.214 -3.148 -8.413 449 HD3 PRO 77 HD1 PRO 77 5.696 -3.331 -9.372 450 H THR 78 HN THR 78 6.575 -7.352 -5.599 451 HA THR 78 HA THR 78 3.990 -8.423 -5.038 452 HB THR 78 HB THR 78 6.412 -9.205 -3.455 453 HG1 THR 78 HG1 THR 78 7.483 -9.704 -5.167 454 HG21 THR 78 HG21 THR 78 4.998 -11.323 -4.786 455 HG22 THR 78 HG22 THR 78 3.898 -10.327 -3.832 456 HG23 THR 78 HG23 THR 78 5.300 -11.074 -3.066 457 H ILE 79 HN ILE 79 2.691 -7.202 -3.792 458 HA ILE 79 HA ILE 79 3.820 -6.097 -1.319 459 HB ILE 79 HB ILE 79 1.376 -5.191 -2.843 460 HG12 ILE 79 HG12 ILE 79 3.610 -3.329 -2.495 461 HG13 ILE 79 HG11 ILE 79 4.044 -4.752 -3.431 462 HG21 ILE 79 HG21 ILE 79 2.717 -3.887 -0.477 463 HG22 ILE 79 HG22 ILE 79 1.257 -4.871 -0.374 464 HG23 ILE 79 HG23 ILE 79 1.242 -3.365 -1.291 465 HD11 ILE 79 HD11 ILE 79 2.375 -4.282 -5.057 466 HD12 ILE 79 HD12 ILE 79 3.276 -2.789 -4.772 467 HD13 ILE 79 HD13 ILE 79 1.676 -3.010 -4.056 468 H GLU 80 HN GLU 80 3.391 -7.265 0.402 469 HA GLU 80 HA GLU 80 0.936 -8.848 0.544 470 HB2 GLU 80 HB2 GLU 80 3.492 -8.831 2.136 471 HB3 GLU 80 HB1 GLU 80 2.063 -9.681 2.706 472 HG2 GLU 80 HG2 GLU 80 2.917 -10.246 -0.062 473 HG3 GLU 80 HG1 GLU 80 3.967 -10.828 1.229 474 H PHE 81 HN PHE 81 0.085 -8.936 2.993 475 HA PHE 81 HA PHE 81 0.137 -6.302 4.216 476 HB2 PHE 81 HB2 PHE 81 -2.566 -7.415 3.549 477 HB3 PHE 81 HB1 PHE 81 -2.117 -5.763 3.960 478 HD1 PHE 81 HD2 PHE 81 -0.895 -4.380 2.291 479 HD2 PHE 81 HD1 PHE 81 -2.585 -8.163 1.317 480 HE1 PHE 81 HE2 PHE 81 -0.762 -3.820 -0.101 481 HE2 PHE 81 HE1 PHE 81 -2.452 -7.610 -1.076 482 HZ PHE 81 HZ PHE 81 -1.539 -5.437 -1.784 483 H ASP 82 HN ASP 82 -0.888 -6.180 6.264 484 HA ASP 82 HA ASP 82 -1.607 -8.713 7.538 485 HB2 ASP 82 HB2 ASP 82 0.794 -8.398 7.996 486 HB3 ASP 82 HB1 ASP 82 0.462 -6.795 8.646 487 H LEU 83 HN LEU 83 -3.717 -8.059 7.731 488 HA LEU 83 HA LEU 83 -4.495 -5.479 8.597 489 HB2 LEU 83 HB2 LEU 83 -5.877 -6.913 7.189 490 HB3 LEU 83 HB1 LEU 83 -6.025 -8.069 8.497 491 HG LEU 83 HG LEU 83 -7.217 -6.338 9.830 492 HD11 LEU 83 HD11 LEU 83 -6.166 -4.533 8.125 493 HD12 LEU 83 HD12 LEU 83 -7.605 -4.239 9.102 494 HD13 LEU 83 HD13 LEU 83 -7.769 -4.738 7.419 495 HD21 LEU 83 HD21 LEU 83 -9.094 -7.227 9.037 496 HD22 LEU 83 HD22 LEU 83 -8.113 -7.956 7.764 497 HD23 LEU 83 HD23 LEU 83 -8.907 -6.405 7.487 498 H ARG 84 HN ARG 84 -5.183 -4.732 10.522 499 HA ARG 84 HA ARG 84 -5.196 -6.511 12.835 500 HB2 ARG 84 HB2 ARG 84 -4.077 -4.136 13.807 501 HB3 ARG 84 HB1 ARG 84 -3.290 -5.693 13.664 502 HG2 ARG 84 HG2 ARG 84 -3.281 -4.207 11.172 503 HG3 ARG 84 HG1 ARG 84 -2.511 -3.334 12.496 504 HD2 ARG 84 HD2 ARG 84 -1.846 -6.199 12.214 505 HD3 ARG 84 HD1 ARG 84 -1.228 -5.106 10.983 506 HE ARG 84 HE ARG 84 -0.243 -5.388 13.606 507 HH11 ARG 84 HH11 ARG 84 -0.927 -2.940 11.215 508 HH12 ARG 84 HH12 ARG 84 0.275 -1.845 11.810 509 HH21 ARG 84 HH21 ARG 84 1.339 -3.949 14.390 510 HH22 ARG 84 HH22 ARG 84 1.562 -2.418 13.612 511 HA PRO 85 HA PRO 85 -9.141 -4.203 12.622 512 HB2 PRO 85 HB2 PRO 85 -9.450 -6.074 14.933 513 HB3 PRO 85 HB1 PRO 85 -10.606 -5.656 13.663 514 HG2 PRO 85 HG2 PRO 85 -9.284 -7.954 13.562 515 HG3 PRO 85 HG1 PRO 85 -9.563 -7.009 12.087 516 HD2 PRO 85 HD2 PRO 85 -7.068 -7.355 13.672 517 HD3 PRO 85 HD1 PRO 85 -7.275 -7.127 11.924 518 HA PRO 86 HA PRO 86 -8.363 -2.555 16.974 519 HB2 PRO 86 HB2 PRO 86 -6.613 -3.779 18.621 520 HB3 PRO 86 HB1 PRO 86 -8.236 -4.408 18.325 521 HG2 PRO 86 HG2 PRO 86 -5.658 -5.494 17.484 522 HG3 PRO 86 HG1 PRO 86 -7.249 -6.268 17.481 523 HD2 PRO 86 HD2 PRO 86 -5.817 -4.960 15.285 524 HD3 PRO 86 HD1 PRO 86 -7.237 -6.025 15.219 525 HA PRO 87 HA PRO 87 -4.342 -0.667 15.330 526 HB2 PRO 87 HB2 PRO 87 -5.439 1.828 15.030 527 HB3 PRO 87 HB1 PRO 87 -5.379 0.622 13.745 528 HG2 PRO 87 HG2 PRO 87 -7.624 1.300 15.598 529 HG3 PRO 87 HG1 PRO 87 -7.666 1.004 13.851 530 HD2 PRO 87 HD2 PRO 87 -8.419 -0.886 15.587 531 HD3 PRO 87 HD1 PRO 87 -7.513 -1.307 14.120 532 H LYS 88 HN LYS 88 -3.385 1.462 16.171 533 HA LYS 88 HA LYS 88 -3.767 1.505 19.060 534 HB2 LYS 88 HB2 LYS 88 -1.650 2.812 19.069 535 HB3 LYS 88 HB1 LYS 88 -1.499 1.205 18.371 536 HG2 LYS 88 HG2 LYS 88 -0.533 2.168 16.643 537 HG3 LYS 88 HG1 LYS 88 -2.111 2.813 16.208 538 HD2 LYS 88 HD2 LYS 88 -1.547 4.905 16.788 539 HD3 LYS 88 HD1 LYS 88 -0.734 4.371 18.263 540 HE2 LYS 88 HE2 LYS 88 1.080 3.505 16.585 541 HE3 LYS 88 HE1 LYS 88 0.351 4.688 15.500 542 HZ1 LYS 88 HZ1 LYS 88 1.024 6.431 16.798 543 HZ2 LYS 88 HZ2 LYS 88 2.309 5.360 17.049 544 HZ3 LYS 88 HZ3 LYS 88 1.096 5.514 18.218 545 H LYS 89 HN LYS 89 -3.928 3.608 16.244 546 HA LYS 89 HA LYS 89 -5.218 5.640 17.928 547 HB2 LYS 89 HB2 LYS 89 -2.889 6.300 17.385 548 HB3 LYS 89 HB1 LYS 89 -3.299 6.223 15.678 549 HG2 LYS 89 HG2 LYS 89 -5.226 7.880 16.874 550 HG3 LYS 89 HG1 LYS 89 -3.665 8.366 17.539 551 HD2 LYS 89 HD2 LYS 89 -2.860 8.308 15.085 552 HD3 LYS 89 HD1 LYS 89 -4.578 8.345 14.683 553 HE2 LYS 89 HE2 LYS 89 -4.812 10.496 15.318 554 HE3 LYS 89 HE1 LYS 89 -3.707 10.322 16.680 555 HZ1 LYS 89 HZ1 LYS 89 -3.063 10.863 13.849 556 HZ2 LYS 89 HZ2 LYS 89 -1.898 10.244 14.907 557 HZ3 LYS 89 HZ3 LYS 89 -2.615 11.744 15.222 558 H GLY 90 HN GLY 90 -6.438 3.597 16.263 559 HA2 GLY 90 HA2 GLY 90 -8.128 5.398 14.749 560 HA3 GLY 90 HA1 GLY 90 -7.238 4.235 13.789 561 H ARG 91 HN ARG 91 -9.213 3.330 13.068 562 HA ARG 91 HA ARG 91 -10.739 1.860 15.104 563 HB2 ARG 91 HB2 ARG 91 -11.610 2.212 12.251 564 HB3 ARG 91 HB1 ARG 91 -12.595 1.879 13.668 565 HG2 ARG 91 HG2 ARG 91 -11.607 4.263 14.376 566 HG3 ARG 91 HG1 ARG 91 -11.580 4.440 12.621 567 HD2 ARG 91 HD2 ARG 91 -13.681 5.250 13.311 568 HD3 ARG 91 HD1 ARG 91 -13.983 3.649 12.639 569 HE ARG 91 HE ARG 91 -13.665 3.154 15.275 570 HH11 ARG 91 HH11 ARG 91 -15.665 5.398 13.502 571 HH12 ARG 91 HH12 ARG 91 -16.928 5.401 14.687 572 HH21 ARG 91 HH21 ARG 91 -15.325 3.157 16.834 573 HH22 ARG 91 HH22 ARG 91 -16.736 4.129 16.578 574 H GLN 92 HN GLN 92 -9.316 1.507 11.875 575 HA GLN 92 HA GLN 92 -8.682 -1.275 12.463 576 HB2 GLN 92 HB2 GLN 92 -10.798 -0.432 10.650 577 HB3 GLN 92 HB1 GLN 92 -9.578 -1.387 9.820 578 HG2 GLN 92 HG2 GLN 92 -10.190 -2.658 12.286 579 HG3 GLN 92 HG1 GLN 92 -11.698 -2.271 11.462 580 HE21 GLN 92 HE21 GLN 92 -10.869 -4.878 11.893 581 HE22 GLN 92 HE22 GLN 92 -10.502 -5.612 10.374 582 H VAL 93 HN VAL 93 -6.651 -1.721 11.768 583 HA VAL 93 HA VAL 93 -5.498 0.061 9.731 584 HB VAL 93 HB VAL 93 -3.291 -0.755 10.853 585 HG11 VAL 93 HG11 VAL 93 -5.153 1.412 11.621 586 HG12 VAL 93 HG12 VAL 93 -3.522 1.502 10.958 587 HG13 VAL 93 HG13 VAL 93 -3.760 1.132 12.666 588 HG21 VAL 93 HG21 VAL 93 -4.252 -2.368 12.346 589 HG22 VAL 93 HG22 VAL 93 -5.285 -1.139 13.069 590 HG23 VAL 93 HG23 VAL 93 -3.537 -1.061 13.288 591 H LEU 94 HN LEU 94 -4.172 -0.785 8.175 592 HA LEU 94 HA LEU 94 -3.881 -3.695 8.024 593 HB2 LEU 94 HB2 LEU 94 -5.833 -3.198 6.692 594 HB3 LEU 94 HB1 LEU 94 -4.988 -1.918 5.852 595 HG LEU 94 HG LEU 94 -5.366 -4.288 4.752 596 HD11 LEU 94 HD11 LEU 94 -3.373 -3.898 3.365 597 HD12 LEU 94 HD12 LEU 94 -2.820 -2.697 4.532 598 HD13 LEU 94 HD13 LEU 94 -4.315 -2.432 3.636 599 HD21 LEU 94 HD21 LEU 94 -2.630 -4.753 5.857 600 HD22 LEU 94 HD22 LEU 94 -3.747 -5.894 5.111 601 HD23 LEU 94 HD23 LEU 94 -4.051 -5.303 6.743 602 H ILE 95 HN ILE 95 -1.780 -4.102 7.861 603 HA ILE 95 HA ILE 95 0.088 -2.086 7.022 604 HB ILE 95 HB ILE 95 0.674 -4.990 7.585 605 HG12 ILE 95 HG12 ILE 95 0.603 -2.647 9.501 606 HG13 ILE 95 HG11 ILE 95 -0.529 -3.996 9.480 607 HG21 ILE 95 HG21 ILE 95 2.908 -4.086 8.192 608 HG22 ILE 95 HG22 ILE 95 2.383 -2.508 7.605 609 HG23 ILE 95 HG23 ILE 95 2.493 -3.871 6.491 610 HD11 ILE 95 HD11 ILE 95 0.799 -5.166 10.799 611 HD12 ILE 95 HD12 ILE 95 1.879 -3.775 10.900 612 HD13 ILE 95 HD13 ILE 95 2.135 -5.003 9.660 613 H ALA 96 HN ALA 96 1.550 -2.215 5.271 614 HA ALA 96 HA ALA 96 1.006 -4.214 3.210 615 HB1 ALA 96 HB1 ALA 96 0.656 -2.601 1.471 616 HB2 ALA 96 HB2 ALA 96 0.940 -1.266 2.588 617 HB3 ALA 96 HB3 ALA 96 -0.491 -2.280 2.771 618 H LYS 97 HN LYS 97 2.942 -5.081 2.874 619 HA LYS 97 HA LYS 97 5.298 -3.315 2.775 620 HB2 LYS 97 HB2 LYS 97 5.216 -6.313 3.167 621 HB3 LYS 97 HB1 LYS 97 6.643 -5.290 3.249 622 HG2 LYS 97 HG2 LYS 97 6.270 -5.344 5.453 623 HG3 LYS 97 HG1 LYS 97 5.062 -4.107 5.101 624 HD2 LYS 97 HD2 LYS 97 3.657 -5.508 6.163 625 HD3 LYS 97 HD1 LYS 97 3.644 -6.372 4.624 626 HE2 LYS 97 HE2 LYS 97 4.079 -8.034 6.207 627 HE3 LYS 97 HE1 LYS 97 5.665 -7.649 5.541 628 HZ1 LYS 97 HZ1 LYS 97 4.560 -7.009 8.189 629 HZ2 LYS 97 HZ2 LYS 97 5.752 -6.008 7.527 630 HZ3 LYS 97 HZ3 LYS 97 6.074 -7.648 7.785 631 H VAL 98 HN VAL 98 6.265 -3.001 0.861 632 HA VAL 98 HA VAL 98 5.383 -4.642 -1.407 633 HB VAL 98 HB VAL 98 5.021 -2.261 -1.676 634 HG11 VAL 98 HG11 VAL 98 7.503 -2.036 -0.364 635 HG12 VAL 98 HG12 VAL 98 6.423 -0.743 -0.881 636 HG13 VAL 98 HG13 VAL 98 7.696 -1.313 -1.960 637 HG21 VAL 98 HG21 VAL 98 6.377 -1.882 -3.759 638 HG22 VAL 98 HG22 VAL 98 5.485 -3.401 -3.714 639 HG23 VAL 98 HG23 VAL 98 7.219 -3.386 -3.402 640 H THR 99 HN THR 99 6.820 -5.532 -2.881 641 HA THR 99 HA THR 99 9.664 -5.296 -2.537 642 HB THR 99 HB THR 99 8.412 -8.008 -2.075 643 HG1 THR 99 HG1 THR 99 8.407 -7.585 -0.027 644 HG21 THR 99 HG21 THR 99 11.218 -7.019 -2.159 645 HG22 THR 99 HG22 THR 99 10.521 -8.498 -2.820 646 HG23 THR 99 HG23 THR 99 10.790 -8.350 -1.083 647 HA PRO 100 HA PRO 100 8.507 -6.420 -6.804 648 HB2 PRO 100 HB2 PRO 100 9.738 -4.242 -7.955 649 HB3 PRO 100 HB1 PRO 100 8.056 -4.304 -7.449 650 HG2 PRO 100 HG2 PRO 100 10.199 -2.764 -6.324 651 HG3 PRO 100 HG1 PRO 100 8.497 -2.758 -5.864 652 HD2 PRO 100 HD2 PRO 100 10.771 -4.110 -4.589 653 HD3 PRO 100 HD1 PRO 100 9.167 -3.735 -3.927 654 H GLY 101 HN GLY 101 11.502 -4.526 -6.859 655 HA2 GLY 101 HA2 GLY 101 13.536 -6.201 -6.628 656 HA3 GLY 101 HA1 GLY 101 12.846 -6.782 -8.135 657 H VAL 102 HN VAL 102 12.227 -4.653 -9.572 658 HA VAL 102 HA VAL 102 14.751 -3.140 -9.751 659 HB VAL 102 HB VAL 102 14.209 -4.775 -11.629 660 HG11 VAL 102 HG11 VAL 102 11.809 -4.256 -11.789 661 HG12 VAL 102 HG12 VAL 102 12.638 -4.045 -13.331 662 HG13 VAL 102 HG13 VAL 102 12.208 -2.635 -12.361 663 HG21 VAL 102 HG21 VAL 102 15.721 -2.654 -11.650 664 HG22 VAL 102 HG22 VAL 102 14.465 -1.998 -12.700 665 HG23 VAL 102 HG23 VAL 102 15.326 -3.465 -13.166 666 H LEU 103 HN LEU 103 14.646 -0.965 -10.530 667 HA LEU 103 HA LEU 103 12.017 0.306 -10.481 668 HB2 LEU 103 HB2 LEU 103 12.939 0.453 -8.190 669 HB3 LEU 103 HB1 LEU 103 14.343 1.286 -8.829 670 HG LEU 103 HG LEU 103 12.489 2.935 -9.775 671 HD11 LEU 103 HD11 LEU 103 10.701 1.415 -8.789 672 HD12 LEU 103 HD12 LEU 103 10.572 3.140 -8.446 673 HD13 LEU 103 HD13 LEU 103 11.200 2.041 -7.218 674 HD21 LEU 103 HD21 LEU 103 14.409 3.219 -8.034 675 HD22 LEU 103 HD22 LEU 103 13.090 3.176 -6.863 676 HD23 LEU 103 HD23 LEU 103 13.111 4.409 -8.123 677 H GLU 104 HN GLU 104 11.886 2.242 -11.636 678 HA GLU 104 HA GLU 104 14.134 2.685 -13.469 679 HB2 GLU 104 HB2 GLU 104 11.265 3.598 -13.737 680 HB3 GLU 104 HB1 GLU 104 12.520 3.726 -14.961 681 HG2 GLU 104 HG2 GLU 104 12.547 1.059 -14.431 682 HG3 GLU 104 HG1 GLU 104 10.843 1.452 -14.210 683 H HIS 105 HN HIS 105 15.185 4.591 -13.575 684 HA HIS 105 HA HIS 105 15.909 6.667 -12.995 685 HB2 HIS 105 HB2 HIS 105 12.937 7.063 -12.643 686 HB3 HIS 105 HB1 HIS 105 14.103 8.370 -12.464 687 HD1 HIS 105 HD1 HIS 105 11.796 7.887 -14.737 688 HD2 HIS 105 HD2 HIS 105 15.921 7.600 -15.147 689 HE1 HIS 105 HE1 HIS 105 12.255 8.235 -17.185 690 HE2 HIS 105 HE2 HIS 105 14.764 8.144 -17.395 691 H HIS 106 HN HIS 106 16.984 5.661 -11.175 692 HA HIS 106 HA HIS 106 15.696 5.872 -8.580 693 HB2 HIS 106 HB2 HIS 106 17.858 4.915 -7.744 694 HB3 HIS 106 HB1 HIS 106 17.031 3.907 -8.926 695 HD1 HIS 106 HD1 HIS 106 20.052 6.101 -8.523 696 HD2 HIS 106 HD2 HIS 106 18.410 3.479 -11.298 697 HE1 HIS 106 HE1 HIS 106 21.856 5.715 -10.232 698 HE2 HIS 106 HE2 HIS 106 20.810 4.193 -11.947 699 H HIS 107 HN HIS 107 18.407 7.328 -10.328 700 HA HIS 107 HA HIS 107 19.473 9.322 -10.082 701 HB2 HIS 107 HB2 HIS 107 16.893 9.888 -9.363 702 HB3 HIS 107 HB1 HIS 107 17.777 10.385 -7.925 703 HD1 HIS 107 HD1 HIS 107 19.097 12.536 -8.057 704 HD2 HIS 107 HD2 HIS 107 17.599 11.326 -11.739 705 HE1 HIS 107 HE1 HIS 107 19.500 14.469 -9.614 706 HE2 HIS 107 HE2 HIS 107 18.665 13.680 -11.857 707 H HIS 108 HN HIS 108 18.202 8.807 -6.791 708 HA HIS 108 HA HIS 108 20.887 8.199 -5.839 709 HB2 HIS 108 HB2 HIS 108 20.211 10.779 -5.749 710 HB3 HIS 108 HB1 HIS 108 19.414 10.257 -4.269 711 HD1 HIS 108 HD1 HIS 108 20.916 11.118 -2.482 712 HD2 HIS 108 HD2 HIS 108 23.016 9.169 -5.492 713 HE1 HIS 108 HE1 HIS 108 23.297 11.009 -1.679 714 HE2 HIS 108 HE2 HIS 108 24.531 9.748 -3.477 715 H HIS 109 HN HIS 109 20.691 7.957 -3.279 716 HA HIS 109 HA HIS 109 19.898 6.682 -1.571 717 HB2 HIS 109 HB2 HIS 109 17.242 7.449 -2.796 718 HB3 HIS 109 HB1 HIS 109 17.420 6.642 -1.242 719 HD1 HIS 109 HD1 HIS 109 19.276 8.135 0.357 720 HD2 HIS 109 HD2 HIS 109 16.902 10.093 -2.435 721 HE1 HIS 109 HE1 HIS 109 19.219 10.539 1.092 722 HE2 HIS 109 HE2 HIS 109 17.706 11.688 -0.564 723 H HIS 110 HN HIS 110 20.788 4.737 -2.238 724 HA HIS 110 HA HIS 110 19.269 3.012 -4.019 725 HB2 HIS 110 HB2 HIS 110 21.194 1.469 -3.774 726 HB3 HIS 110 HB1 HIS 110 21.678 3.073 -4.314 727 HD1 HIS 110 HD1 HIS 110 22.097 0.652 -1.544 728 HD2 HIS 110 HD2 HIS 110 23.100 4.597 -2.376 729 HE1 HIS 110 HE1 HIS 110 23.809 1.289 0.185 730 HE2 HIS 110 HE2 HIS 110 24.464 3.653 -0.392 Start of MODEL 2 1 H1 ALA 22 HT1 ALA 22 -15.438 6.485 10.333 2 H2 ALA 22 HT2 ALA 22 -15.952 6.513 8.696 3 H3 ALA 22 HT3 ALA 22 -14.784 7.641 9.251 4 HA ALA 22 HA ALA 22 -14.520 4.766 8.781 5 HB1 ALA 22 HB1 ALA 22 -13.114 7.248 7.832 6 HB2 ALA 22 HB2 ALA 22 -13.995 6.054 6.879 7 HB3 ALA 22 HB3 ALA 22 -12.446 5.631 7.608 8 H ASN 23 HN ASN 23 -13.647 3.670 10.404 9 HA ASN 23 HA ASN 23 -11.685 5.026 12.131 10 HB2 ASN 23 HB2 ASN 23 -13.378 2.592 12.741 11 HB3 ASN 23 HB1 ASN 23 -12.250 3.367 13.849 12 HD21 ASN 23 HD21 ASN 23 -12.834 5.218 14.890 13 HD22 ASN 23 HD22 ASN 23 -14.425 5.886 14.825 14 H VAL 24 HN VAL 24 -10.694 4.179 9.763 15 HA VAL 24 HA VAL 24 -8.937 2.002 10.602 16 HB VAL 24 HB VAL 24 -9.104 0.860 8.441 17 HG11 VAL 24 HG11 VAL 24 -10.896 -0.413 9.034 18 HG12 VAL 24 HG12 VAL 24 -11.933 0.984 9.326 19 HG13 VAL 24 HG13 VAL 24 -10.719 0.522 10.519 20 HG21 VAL 24 HG21 VAL 24 -9.797 2.776 7.083 21 HG22 VAL 24 HG22 VAL 24 -11.374 2.765 7.872 22 HG23 VAL 24 HG23 VAL 24 -10.883 1.403 6.865 23 H ARG 25 HN ARG 25 -6.915 1.977 9.567 24 HA ARG 25 HA ARG 25 -6.303 4.059 7.634 25 HB2 ARG 25 HB2 ARG 25 -5.058 3.945 10.383 26 HB3 ARG 25 HB1 ARG 25 -4.354 4.835 9.040 27 HG2 ARG 25 HG2 ARG 25 -5.512 6.525 9.994 28 HG3 ARG 25 HG1 ARG 25 -6.796 5.883 8.968 29 HD2 ARG 25 HD2 ARG 25 -7.948 5.916 10.917 30 HD3 ARG 25 HD1 ARG 25 -7.167 4.349 11.126 31 HE ARG 25 HE ARG 25 -5.977 5.227 12.864 32 HH11 ARG 25 HH11 ARG 25 -7.227 7.857 10.940 33 HH12 ARG 25 HH12 ARG 25 -6.702 9.081 12.047 34 HH21 ARG 25 HH21 ARG 25 -5.286 6.836 14.321 35 HH22 ARG 25 HH22 ARG 25 -5.600 8.502 13.966 36 H LEU 26 HN LEU 26 -5.117 3.124 6.107 37 HA LEU 26 HA LEU 26 -3.908 0.576 6.480 38 HB2 LEU 26 HB2 LEU 26 -4.116 2.539 4.254 39 HB3 LEU 26 HB1 LEU 26 -2.867 1.314 4.150 40 HG LEU 26 HG LEU 26 -4.401 -0.432 3.986 41 HD11 LEU 26 HD11 LEU 26 -6.573 1.429 4.940 42 HD12 LEU 26 HD12 LEU 26 -5.773 0.200 5.921 43 HD13 LEU 26 HD13 LEU 26 -6.756 -0.279 4.538 44 HD21 LEU 26 HD21 LEU 26 -5.880 0.164 2.188 45 HD22 LEU 26 HD22 LEU 26 -4.366 1.049 2.001 46 HD23 LEU 26 HD23 LEU 26 -5.795 1.869 2.630 47 H GLN 27 HN GLN 27 -1.847 0.011 6.860 48 HA GLN 27 HA GLN 27 -0.001 2.153 7.599 49 HB2 GLN 27 HB2 GLN 27 -0.578 -0.422 8.644 50 HB3 GLN 27 HB1 GLN 27 1.088 -0.450 8.084 51 HG2 GLN 27 HG2 GLN 27 1.341 0.250 10.249 52 HG3 GLN 27 HG1 GLN 27 1.283 1.788 9.389 53 HE21 GLN 27 HE21 GLN 27 -0.836 -0.544 11.008 54 HE22 GLN 27 HE22 GLN 27 -1.892 0.634 11.702 55 H VAL 28 HN VAL 28 2.098 2.315 6.791 56 HA VAL 28 HA VAL 28 2.491 0.996 4.190 57 HB VAL 28 HB VAL 28 4.288 2.883 3.970 58 HG11 VAL 28 HG11 VAL 28 1.684 4.171 3.748 59 HG12 VAL 28 HG12 VAL 28 1.722 2.548 3.057 60 HG13 VAL 28 HG13 VAL 28 2.864 3.772 2.500 61 HG21 VAL 28 HG21 VAL 28 3.964 3.594 6.365 62 HG22 VAL 28 HG22 VAL 28 2.395 4.238 5.880 63 HG23 VAL 28 HG23 VAL 28 3.874 4.888 5.170 64 H GLU 29 HN GLU 29 4.235 -0.237 3.799 65 HA GLU 29 HA GLU 29 6.490 -0.189 5.653 66 HB2 GLU 29 HB2 GLU 29 4.519 -2.346 5.457 67 HB3 GLU 29 HB1 GLU 29 6.176 -2.898 5.256 68 HG2 GLU 29 HG2 GLU 29 6.414 -1.274 7.418 69 HG3 GLU 29 HG1 GLU 29 4.787 -1.918 7.638 70 H GLY 30 HN GLY 30 8.367 -0.312 4.603 71 HA2 GLY 30 HA2 GLY 30 9.916 -0.968 3.001 72 HA3 GLY 30 HA1 GLY 30 8.646 -1.849 2.164 73 H LEU 31 HN LEU 31 8.755 1.546 3.096 74 HA LEU 31 HA LEU 31 9.003 2.345 0.293 75 HB2 LEU 31 HB2 LEU 31 6.883 3.478 2.101 76 HB3 LEU 31 HB1 LEU 31 7.113 3.790 0.394 77 HG LEU 31 HG LEU 31 6.466 1.037 1.399 78 HD11 LEU 31 HD11 LEU 31 4.672 3.374 1.027 79 HD12 LEU 31 HD12 LEU 31 4.596 2.065 2.206 80 HD13 LEU 31 HD13 LEU 31 4.100 1.779 0.539 81 HD21 LEU 31 HD21 LEU 31 6.317 2.458 -1.243 82 HD22 LEU 31 HD22 LEU 31 5.483 0.934 -0.936 83 HD23 LEU 31 HD23 LEU 31 7.242 1.017 -0.823 84 H SER 32 HN SER 32 9.566 4.614 0.045 85 HA SER 32 HA SER 32 10.225 6.219 2.307 86 HB2 SER 32 HB2 SER 32 12.343 4.567 1.017 87 HB3 SER 32 HB1 SER 32 12.758 6.218 1.476 88 HG SER 32 HG SER 32 12.360 5.746 3.575 89 H GLY 33 HN GLY 33 11.155 8.292 1.704 90 HA2 GLY 33 HA2 GLY 33 11.196 10.170 0.390 91 HA3 GLY 33 HA1 GLY 33 11.734 9.103 -0.897 92 H GLN 34 HN GLN 34 10.486 9.008 -2.630 93 HA GLN 34 HA GLN 34 7.847 10.210 -2.541 94 HB2 GLN 34 HB2 GLN 34 9.856 10.196 -4.424 95 HB3 GLN 34 HB1 GLN 34 8.700 9.053 -5.094 96 HG2 GLN 34 HG2 GLN 34 7.968 11.012 -6.013 97 HG3 GLN 34 HG1 GLN 34 6.970 10.929 -4.562 98 HE21 GLN 34 HE21 GLN 34 10.297 11.964 -5.245 99 HE22 GLN 34 HE22 GLN 34 10.149 13.516 -4.501 100 H LEU 35 HN LEU 35 9.086 7.100 -2.199 101 HA LEU 35 HA LEU 35 6.942 5.699 -3.507 102 HB2 LEU 35 HB2 LEU 35 9.204 4.871 -1.742 103 HB3 LEU 35 HB1 LEU 35 7.929 3.748 -2.150 104 HG LEU 35 HG LEU 35 10.101 3.781 -3.556 105 HD11 LEU 35 HD11 LEU 35 7.466 3.889 -4.975 106 HD12 LEU 35 HD12 LEU 35 8.043 2.502 -4.048 107 HD13 LEU 35 HD13 LEU 35 8.918 3.035 -5.489 108 HD21 LEU 35 HD21 LEU 35 10.002 5.262 -5.488 109 HD22 LEU 35 HD22 LEU 35 10.167 6.165 -3.982 110 HD23 LEU 35 HD23 LEU 35 8.598 6.071 -4.788 111 H GLU 36 HN GLU 36 7.928 6.299 -0.153 112 HA GLU 36 HA GLU 36 5.692 5.085 1.049 113 HB2 GLU 36 HB2 GLU 36 6.460 6.070 3.075 114 HB3 GLU 36 HB1 GLU 36 7.887 5.642 2.152 115 HG2 GLU 36 HG2 GLU 36 8.210 7.928 1.491 116 HG3 GLU 36 HG1 GLU 36 6.695 8.401 2.260 117 H LYS 37 HN LYS 37 6.271 8.264 -0.271 118 HA LYS 37 HA LYS 37 3.966 9.481 0.908 119 HB2 LYS 37 HB2 LYS 37 4.552 11.419 -0.261 120 HB3 LYS 37 HB1 LYS 37 6.099 10.637 0.018 121 HG2 LYS 37 HG2 LYS 37 6.261 11.316 -2.172 122 HG3 LYS 37 HG1 LYS 37 5.761 9.635 -2.330 123 HD2 LYS 37 HD2 LYS 37 4.050 10.327 -3.578 124 HD3 LYS 37 HD1 LYS 37 3.389 11.118 -2.147 125 HE2 LYS 37 HE2 LYS 37 5.527 12.591 -3.535 126 HE3 LYS 37 HE1 LYS 37 4.029 12.399 -4.445 127 HZ1 LYS 37 HZ1 LYS 37 3.743 13.228 -1.674 128 HZ2 LYS 37 HZ2 LYS 37 2.907 13.744 -3.051 129 HZ3 LYS 37 HZ3 LYS 37 4.444 14.365 -2.714 130 H ASN 38 HN ASN 38 4.722 8.037 -2.235 131 HA ASN 38 HA ASN 38 2.264 8.625 -3.485 132 HB2 ASN 38 HB2 ASN 38 4.624 7.449 -4.276 133 HB3 ASN 38 HB1 ASN 38 3.507 6.088 -4.288 134 HD21 ASN 38 HD21 ASN 38 3.733 9.462 -5.346 135 HD22 ASN 38 HD22 ASN 38 2.895 9.230 -6.838 136 H VAL 39 HN VAL 39 3.401 5.767 -1.718 137 HA VAL 39 HA VAL 39 1.062 4.239 -1.979 138 HB VAL 39 HB VAL 39 3.006 4.175 0.331 139 HG11 VAL 39 HG11 VAL 39 1.444 2.739 1.090 140 HG12 VAL 39 HG12 VAL 39 2.201 1.625 -0.049 141 HG13 VAL 39 HG13 VAL 39 0.737 2.496 -0.507 142 HG21 VAL 39 HG21 VAL 39 4.556 3.389 -1.053 143 HG22 VAL 39 HG22 VAL 39 3.466 3.639 -2.416 144 HG23 VAL 39 HG23 VAL 39 3.468 2.097 -1.559 145 H ARG 40 HN ARG 40 2.061 6.630 0.420 146 HA ARG 40 HA ARG 40 0.020 6.286 2.282 147 HB2 ARG 40 HB2 ARG 40 1.845 8.495 1.524 148 HB3 ARG 40 HB1 ARG 40 0.405 8.957 2.421 149 HG2 ARG 40 HG2 ARG 40 2.070 6.701 3.424 150 HG3 ARG 40 HG1 ARG 40 2.624 8.360 3.663 151 HD2 ARG 40 HD2 ARG 40 0.038 8.573 4.433 152 HD3 ARG 40 HD1 ARG 40 0.384 6.910 4.904 153 HE ARG 40 HE ARG 40 2.490 8.282 5.899 154 HH11 ARG 40 HH11 ARG 40 -0.965 8.695 6.165 155 HH12 ARG 40 HH12 ARG 40 -0.885 9.404 7.742 156 HH21 ARG 40 HH21 ARG 40 2.598 9.214 7.974 157 HH22 ARG 40 HH22 ARG 40 1.137 9.699 8.770 158 H ALA 41 HN ALA 41 0.122 8.335 -0.619 159 HA ALA 41 HA ALA 41 -2.420 9.486 -0.344 160 HB1 ALA 41 HB1 ALA 41 -2.155 9.432 -3.016 161 HB2 ALA 41 HB2 ALA 41 -0.483 9.125 -2.546 162 HB3 ALA 41 HB3 ALA 41 -1.304 10.581 -1.983 163 H GLN 42 HN GLN 42 -1.368 6.558 -2.057 164 HA GLN 42 HA GLN 42 -3.926 5.825 -2.998 165 HB2 GLN 42 HB2 GLN 42 -1.547 4.049 -2.413 166 HB3 GLN 42 HB1 GLN 42 -2.937 3.615 -3.398 167 HG2 GLN 42 HG2 GLN 42 -2.085 4.604 -5.198 168 HG3 GLN 42 HG1 GLN 42 -1.695 6.069 -4.303 169 HE21 GLN 42 HE21 GLN 42 0.249 6.298 -5.376 170 HE22 GLN 42 HE22 GLN 42 1.602 5.280 -5.056 171 H LEU 43 HN LEU 43 -2.181 5.228 -0.014 172 HA LEU 43 HA LEU 43 -3.831 3.238 1.076 173 HB2 LEU 43 HB2 LEU 43 -2.196 5.399 2.402 174 HB3 LEU 43 HB1 LEU 43 -3.018 4.137 3.293 175 HG LEU 43 HG LEU 43 -0.458 4.076 1.917 176 HD11 LEU 43 HD11 LEU 43 -0.784 1.756 3.383 177 HD12 LEU 43 HD12 LEU 43 -1.785 2.938 4.225 178 HD13 LEU 43 HD13 LEU 43 -0.077 3.269 3.949 179 HD21 LEU 43 HD21 LEU 43 -1.612 2.894 0.168 180 HD22 LEU 43 HD22 LEU 43 -2.416 1.854 1.345 181 HD23 LEU 43 HD23 LEU 43 -0.671 1.740 1.113 182 H SER 44 HN SER 44 -4.129 6.715 0.907 183 HA SER 44 HA SER 44 -6.480 6.741 2.611 184 HB2 SER 44 HB2 SER 44 -4.541 8.583 2.239 185 HB3 SER 44 HB1 SER 44 -5.740 9.171 1.087 186 HG SER 44 HG SER 44 -5.721 9.555 3.670 187 H THR 45 HN THR 45 -5.771 6.358 -0.710 188 HA THR 45 HA THR 45 -8.368 7.368 -1.561 189 HB THR 45 HB THR 45 -6.070 7.569 -2.832 190 HG1 THR 45 HG1 THR 45 -8.595 7.044 -3.980 191 HG21 THR 45 HG21 THR 45 -6.032 4.940 -2.954 192 HG22 THR 45 HG22 THR 45 -5.443 5.939 -4.280 193 HG23 THR 45 HG23 THR 45 -7.055 5.229 -4.359 194 H ILE 46 HN ILE 46 -6.933 4.425 -0.595 195 HA ILE 46 HA ILE 46 -8.375 2.541 -2.070 196 HB ILE 46 HB ILE 46 -7.398 2.368 0.790 197 HG12 ILE 46 HG12 ILE 46 -5.392 2.461 -0.278 198 HG13 ILE 46 HG11 ILE 46 -5.733 0.782 -0.624 199 HG21 ILE 46 HG21 ILE 46 -9.045 0.674 0.496 200 HG22 ILE 46 HG22 ILE 46 -7.465 -0.095 0.413 201 HG23 ILE 46 HG23 ILE 46 -8.374 0.211 -1.066 202 HD11 ILE 46 HD11 ILE 46 -4.932 1.978 -2.589 203 HD12 ILE 46 HD12 ILE 46 -6.306 3.077 -2.476 204 HD13 ILE 46 HD13 ILE 46 -6.571 1.368 -2.817 205 H GLU 47 HN GLU 47 -10.142 1.151 -1.257 206 HA GLU 47 HA GLU 47 -12.437 2.648 -0.642 207 HB2 GLU 47 HB2 GLU 47 -12.142 -0.333 -0.314 208 HB3 GLU 47 HB1 GLU 47 -13.613 0.571 -0.645 209 HG2 GLU 47 HG2 GLU 47 -12.558 1.261 -2.825 210 HG3 GLU 47 HG1 GLU 47 -11.294 0.079 -2.487 211 H SER 48 HN SER 48 -10.005 1.961 1.450 212 HA SER 48 HA SER 48 -11.239 0.945 3.729 213 HB2 SER 48 HB2 SER 48 -9.309 2.560 4.778 214 HB3 SER 48 HB1 SER 48 -9.015 0.949 4.125 215 HG SER 48 HG SER 48 -8.311 3.414 3.129 216 H ASP 49 HN ASP 49 -12.416 3.524 2.260 217 HA ASP 49 HA ASP 49 -12.627 5.397 4.420 218 HB2 ASP 49 HB2 ASP 49 -12.696 6.057 2.011 219 HB3 ASP 49 HB1 ASP 49 -14.258 5.255 1.876 220 H GLU 50 HN GLU 50 -13.493 2.722 5.071 221 HA GLU 50 HA GLU 50 -15.062 1.929 6.540 222 HB2 GLU 50 HB2 GLU 50 -15.896 4.526 6.421 223 HB3 GLU 50 HB1 GLU 50 -17.286 3.687 5.745 224 HG2 GLU 50 HG2 GLU 50 -17.591 2.412 7.704 225 HG3 GLU 50 HG1 GLU 50 -16.016 2.883 8.340 226 H VAL 51 HN VAL 51 -14.766 0.287 4.850 227 HA VAL 51 HA VAL 51 -17.330 -0.278 3.557 228 HB VAL 51 HB VAL 51 -16.368 -0.930 1.492 229 HG11 VAL 51 HG11 VAL 51 -15.189 1.155 0.760 230 HG12 VAL 51 HG12 VAL 51 -15.204 1.678 2.444 231 HG13 VAL 51 HG13 VAL 51 -16.725 1.422 1.586 232 HG21 VAL 51 HG21 VAL 51 -13.803 -0.550 1.214 233 HG22 VAL 51 HG22 VAL 51 -14.395 -2.045 1.939 234 HG23 VAL 51 HG23 VAL 51 -13.774 -0.753 2.966 235 H THR 52 HN THR 52 -16.677 -2.675 2.358 236 HA THR 52 HA THR 52 -16.166 -4.353 4.709 237 HB THR 52 HB THR 52 -18.302 -4.716 3.567 238 HG1 THR 52 HG1 THR 52 -17.024 -6.512 4.458 239 HG21 THR 52 HG21 THR 52 -16.997 -4.268 1.219 240 HG22 THR 52 HG22 THR 52 -18.600 -4.987 1.378 241 HG23 THR 52 HG23 THR 52 -17.181 -6.022 1.214 242 HA PRO 53 HA PRO 53 -12.198 -4.890 2.499 243 HB2 PRO 53 HB2 PRO 53 -10.830 -5.759 4.685 244 HB3 PRO 53 HB1 PRO 53 -11.087 -4.049 4.319 245 HG2 PRO 53 HG2 PRO 53 -12.575 -5.824 6.215 246 HG3 PRO 53 HG1 PRO 53 -12.021 -4.155 6.445 247 HD2 PRO 53 HD2 PRO 53 -14.581 -4.752 5.828 248 HD3 PRO 53 HD1 PRO 53 -13.788 -3.272 5.251 249 H ASP 54 HN ASP 54 -12.130 -6.640 1.269 250 HA ASP 54 HA ASP 54 -12.008 -9.266 2.525 251 HB2 ASP 54 HB2 ASP 54 -14.217 -8.309 0.902 252 HB3 ASP 54 HB1 ASP 54 -13.457 -9.723 0.177 253 H ARG 55 HN ARG 55 -11.649 -10.918 0.521 254 HA ARG 55 HA ARG 55 -9.079 -10.648 -0.327 255 HB2 ARG 55 HB2 ARG 55 -11.331 -12.013 -1.809 256 HB3 ARG 55 HB1 ARG 55 -9.621 -12.263 -2.135 257 HG2 ARG 55 HG2 ARG 55 -10.535 -12.677 0.649 258 HG3 ARG 55 HG1 ARG 55 -11.037 -13.865 -0.556 259 HD2 ARG 55 HD2 ARG 55 -8.727 -14.249 -1.181 260 HD3 ARG 55 HD1 ARG 55 -8.191 -12.997 -0.062 261 HE ARG 55 HE ARG 55 -9.644 -14.873 1.398 262 HH11 ARG 55 HH11 ARG 55 -6.670 -14.706 -0.419 263 HH12 ARG 55 HH12 ARG 55 -5.880 -15.927 0.521 264 HH21 ARG 55 HH21 ARG 55 -8.608 -16.479 2.636 265 HH22 ARG 55 HH22 ARG 55 -6.981 -16.935 2.255 266 H ARG 56 HN ARG 56 -11.901 -9.172 -1.740 267 HA ARG 56 HA ARG 56 -10.559 -8.366 -4.153 268 HB2 ARG 56 HB2 ARG 56 -12.641 -6.922 -4.437 269 HB3 ARG 56 HB1 ARG 56 -12.884 -8.663 -4.402 270 HG2 ARG 56 HG2 ARG 56 -13.082 -7.639 -1.743 271 HG3 ARG 56 HG1 ARG 56 -14.117 -6.693 -2.813 272 HD2 ARG 56 HD2 ARG 56 -15.220 -8.687 -1.779 273 HD3 ARG 56 HD1 ARG 56 -15.278 -8.641 -3.541 274 HE ARG 56 HE ARG 56 -13.076 -10.124 -3.042 275 HH11 ARG 56 HH11 ARG 56 -16.373 -10.313 -1.915 276 HH12 ARG 56 HH12 ARG 56 -16.341 -12.033 -1.723 277 HH21 ARG 56 HH21 ARG 56 -13.031 -12.387 -2.791 278 HH22 ARG 56 HH22 ARG 56 -14.443 -13.211 -2.220 279 H PHE 57 HN PHE 57 -11.441 -6.847 -1.090 280 HA PHE 57 HA PHE 57 -10.677 -4.214 -1.735 281 HB2 PHE 57 HB2 PHE 57 -12.006 -4.851 0.273 282 HB3 PHE 57 HB1 PHE 57 -10.567 -5.592 0.959 283 HD1 PHE 57 HD1 PHE 57 -8.468 -3.950 1.059 284 HD2 PHE 57 HD2 PHE 57 -12.547 -2.739 0.951 285 HE1 PHE 57 HE1 PHE 57 -7.851 -1.802 2.081 286 HE2 PHE 57 HE2 PHE 57 -11.940 -0.586 1.976 287 HZ PHE 57 HZ PHE 57 -9.584 -0.117 2.537 288 H ARG 58 HN ARG 58 -8.952 -6.907 -0.252 289 HA ARG 58 HA ARG 58 -6.505 -5.689 0.237 290 HB2 ARG 58 HB2 ARG 58 -7.604 -8.246 0.414 291 HB3 ARG 58 HB1 ARG 58 -6.234 -8.436 -0.668 292 HG2 ARG 58 HG2 ARG 58 -4.938 -7.127 1.143 293 HG3 ARG 58 HG1 ARG 58 -6.286 -7.566 2.190 294 HD2 ARG 58 HD2 ARG 58 -4.522 -9.199 2.416 295 HD3 ARG 58 HD1 ARG 58 -5.918 -9.935 1.631 296 HE ARG 58 HE ARG 58 -4.372 -9.127 -0.446 297 HH11 ARG 58 HH11 ARG 58 -3.774 -11.081 2.383 298 HH12 ARG 58 HH12 ARG 58 -2.562 -12.048 1.612 299 HH21 ARG 58 HH21 ARG 58 -2.778 -10.397 -1.461 300 HH22 ARG 58 HH22 ARG 58 -1.995 -11.659 -0.570 301 H ALA 59 HN ALA 59 -7.726 -7.245 -2.698 302 HA ALA 59 HA ALA 59 -5.334 -7.126 -4.182 303 HB1 ALA 59 HB1 ALA 59 -8.194 -7.173 -5.138 304 HB2 ALA 59 HB2 ALA 59 -7.159 -8.571 -4.847 305 HB3 ALA 59 HB3 ALA 59 -6.778 -7.449 -6.153 306 H ARG 60 HN ARG 60 -8.089 -4.903 -3.967 307 HA ARG 60 HA ARG 60 -7.311 -3.064 -5.901 308 HB2 ARG 60 HB2 ARG 60 -9.149 -3.111 -3.628 309 HB3 ARG 60 HB1 ARG 60 -8.500 -1.508 -3.948 310 HG2 ARG 60 HG2 ARG 60 -10.324 -1.448 -5.294 311 HG3 ARG 60 HG1 ARG 60 -9.156 -2.127 -6.429 312 HD2 ARG 60 HD2 ARG 60 -10.500 -4.136 -4.789 313 HD3 ARG 60 HD1 ARG 60 -11.601 -3.207 -5.806 314 HE ARG 60 HE ARG 60 -9.286 -4.188 -7.199 315 HH11 ARG 60 HH11 ARG 60 -12.530 -4.939 -6.158 316 HH12 ARG 60 HH12 ARG 60 -12.783 -6.132 -7.388 317 HH21 ARG 60 HH21 ARG 60 -9.616 -5.755 -8.818 318 HH22 ARG 60 HH22 ARG 60 -11.129 -6.596 -8.898 319 H VAL 61 HN VAL 61 -6.544 -3.137 -2.433 320 HA VAL 61 HA VAL 61 -4.974 -0.787 -2.434 321 HB VAL 61 HB VAL 61 -4.396 -3.037 -0.543 322 HG11 VAL 61 HG11 VAL 61 -3.991 -0.155 -0.663 323 HG12 VAL 61 HG12 VAL 61 -3.134 -1.385 0.265 324 HG13 VAL 61 HG13 VAL 61 -4.644 -0.713 0.877 325 HG21 VAL 61 HG21 VAL 61 -6.978 -1.680 -0.889 326 HG22 VAL 61 HG22 VAL 61 -6.365 -1.722 0.765 327 HG23 VAL 61 HG23 VAL 61 -6.598 -3.225 -0.128 328 H ASP 62 HN ASP 62 -4.210 -4.197 -2.920 329 HA ASP 62 HA ASP 62 -1.413 -3.992 -2.977 330 HB2 ASP 62 HB2 ASP 62 -3.286 -6.025 -3.313 331 HB3 ASP 62 HB1 ASP 62 -2.465 -5.948 -4.869 332 H ASP 63 HN ASP 63 -3.809 -3.836 -5.580 333 HA ASP 63 HA ASP 63 -1.990 -3.416 -7.689 334 HB2 ASP 63 HB2 ASP 63 -4.476 -4.071 -7.795 335 HB3 ASP 63 HB1 ASP 63 -4.813 -2.352 -7.633 336 H ALA 64 HN ALA 64 -3.889 -1.160 -5.718 337 HA ALA 64 HA ALA 64 -3.236 1.226 -6.933 338 HB1 ALA 64 HB1 ALA 64 -4.835 0.871 -5.020 339 HB2 ALA 64 HB2 ALA 64 -3.829 2.316 -4.909 340 HB3 ALA 64 HB3 ALA 64 -3.435 0.890 -3.948 341 H ILE 65 HN ILE 65 -1.477 -0.356 -4.267 342 HA ILE 65 HA ILE 65 0.606 1.479 -4.042 343 HB ILE 65 HB ILE 65 0.656 -1.505 -3.577 344 HG12 ILE 65 HG12 ILE 65 0.702 0.308 -1.276 345 HG13 ILE 65 HG11 ILE 65 -0.759 0.453 -2.244 346 HG21 ILE 65 HG21 ILE 65 2.921 -0.635 -3.871 347 HG22 ILE 65 HG22 ILE 65 2.634 -1.101 -2.194 348 HG23 ILE 65 HG23 ILE 65 2.611 0.602 -2.652 349 HD11 ILE 65 HD11 ILE 65 -0.437 -2.265 -1.999 350 HD12 ILE 65 HD12 ILE 65 -1.529 -1.253 -1.053 351 HD13 ILE 65 HD13 ILE 65 0.072 -1.646 -0.428 352 H ARG 66 HN ARG 66 0.623 -1.616 -5.797 353 HA ARG 66 HA ARG 66 3.111 -1.377 -6.988 354 HB2 ARG 66 HB2 ARG 66 1.651 -3.413 -6.967 355 HB3 ARG 66 HB1 ARG 66 0.657 -2.664 -8.205 356 HG2 ARG 66 HG2 ARG 66 2.407 -2.747 -9.795 357 HG3 ARG 66 HG1 ARG 66 3.593 -3.172 -8.559 358 HD2 ARG 66 HD2 ARG 66 1.245 -4.892 -9.349 359 HD3 ARG 66 HD1 ARG 66 2.884 -5.093 -9.966 360 HE ARG 66 HE ARG 66 3.165 -5.173 -7.254 361 HH11 ARG 66 HH11 ARG 66 1.258 -6.948 -9.576 362 HH12 ARG 66 HH12 ARG 66 1.242 -8.403 -8.638 363 HH21 ARG 66 HH21 ARG 66 3.146 -7.086 -6.019 364 HH22 ARG 66 HH22 ARG 66 2.313 -8.481 -6.618 365 H GLU 67 HN GLU 67 0.001 -0.051 -8.038 366 HA GLU 67 HA GLU 67 0.834 0.781 -10.605 367 HB2 GLU 67 HB2 GLU 67 -1.389 1.529 -8.753 368 HB3 GLU 67 HB1 GLU 67 -1.046 2.596 -10.107 369 HG2 GLU 67 HG2 GLU 67 -1.589 -0.349 -10.380 370 HG3 GLU 67 HG1 GLU 67 -2.817 0.906 -10.538 371 H GLY 68 HN GLY 68 0.460 2.714 -7.619 372 HA2 GLY 68 HA2 GLY 68 1.798 4.987 -8.633 373 HA3 GLY 68 HA1 GLY 68 1.555 4.616 -6.929 374 H LEU 69 HN LEU 69 2.876 2.166 -6.841 375 HA LEU 69 HA LEU 69 5.548 2.963 -6.438 376 HB2 LEU 69 HB2 LEU 69 4.168 0.289 -6.501 377 HB3 LEU 69 HB1 LEU 69 5.877 0.390 -6.258 378 HG LEU 69 HG LEU 69 3.672 1.150 -4.404 379 HD11 LEU 69 HD11 LEU 69 4.849 -0.135 -2.864 380 HD12 LEU 69 HD12 LEU 69 6.366 0.016 -3.750 381 HD13 LEU 69 HD13 LEU 69 5.072 -1.000 -4.384 382 HD21 LEU 69 HD21 LEU 69 6.182 2.665 -4.754 383 HD22 LEU 69 HD22 LEU 69 5.756 2.241 -3.103 384 HD23 LEU 69 HD23 LEU 69 4.636 3.178 -4.091 385 H LYS 70 HN LYS 70 3.860 1.448 -9.073 386 HA LYS 70 HA LYS 70 6.135 0.620 -10.538 387 HB2 LYS 70 HB2 LYS 70 4.032 -0.401 -11.031 388 HB3 LYS 70 HB1 LYS 70 3.277 1.157 -11.335 389 HG2 LYS 70 HG2 LYS 70 4.505 1.435 -13.361 390 HG3 LYS 70 HG1 LYS 70 5.491 0.012 -13.021 391 HD2 LYS 70 HD2 LYS 70 2.563 -0.394 -13.077 392 HD3 LYS 70 HD1 LYS 70 3.333 -0.027 -14.622 393 HE2 LYS 70 HE2 LYS 70 5.036 -1.861 -13.878 394 HE3 LYS 70 HE1 LYS 70 3.728 -2.367 -12.809 395 HZ1 LYS 70 HZ1 LYS 70 3.338 -3.601 -14.694 396 HZ2 LYS 70 HZ2 LYS 70 3.824 -2.373 -15.750 397 HZ3 LYS 70 HZ3 LYS 70 2.330 -2.268 -14.963 398 H ALA 71 HN ALA 71 4.593 3.652 -10.065 399 HA ALA 71 HA ALA 71 5.874 4.829 -12.410 400 HB1 ALA 71 HB1 ALA 71 3.523 5.437 -10.818 401 HB2 ALA 71 HB2 ALA 71 3.902 5.856 -12.489 402 HB3 ALA 71 HB3 ALA 71 4.505 6.860 -11.170 403 H LEU 72 HN LEU 72 6.707 4.314 -9.221 404 HA LEU 72 HA LEU 72 8.257 6.813 -9.103 405 HB2 LEU 72 HB2 LEU 72 7.779 4.961 -6.790 406 HB3 LEU 72 HB1 LEU 72 8.300 6.636 -6.754 407 HG LEU 72 HG LEU 72 5.684 6.175 -8.008 408 HD11 LEU 72 HD11 LEU 72 5.938 4.605 -5.944 409 HD12 LEU 72 HD12 LEU 72 4.477 5.565 -6.158 410 HD13 LEU 72 HD13 LEU 72 5.727 6.096 -5.033 411 HD21 LEU 72 HD21 LEU 72 6.921 8.376 -7.393 412 HD22 LEU 72 HD22 LEU 72 6.294 8.063 -5.775 413 HD23 LEU 72 HD23 LEU 72 5.181 8.251 -7.130 414 H GLY 73 HN GLY 73 8.775 3.891 -10.247 415 HA2 GLY 73 HA2 GLY 73 11.203 3.572 -10.794 416 HA3 GLY 73 HA1 GLY 73 11.484 3.712 -9.074 417 H TYR 74 HN TYR 74 8.650 1.995 -9.431 418 HA TYR 74 HA TYR 74 10.155 -0.535 -9.384 419 HB2 TYR 74 HB2 TYR 74 7.700 0.292 -7.842 420 HB3 TYR 74 HB1 TYR 74 8.258 -1.372 -7.944 421 HD1 TYR 74 HD1 TYR 74 11.105 -1.215 -7.705 422 HD2 TYR 74 HD2 TYR 74 8.147 1.096 -5.713 423 HE1 TYR 74 HE1 TYR 74 12.687 -0.784 -5.872 424 HE2 TYR 74 HE2 TYR 74 9.721 1.535 -3.875 425 HH TYR 74 HH TYR 74 11.952 0.104 -2.978 426 H TYR 75 HN TYR 75 8.668 -2.466 -9.870 427 HA TYR 75 HA TYR 75 6.964 -1.777 -12.171 428 HB2 TYR 75 HB2 TYR 75 9.085 -3.852 -11.855 429 HB3 TYR 75 HB1 TYR 75 7.706 -4.210 -12.890 430 HD1 TYR 75 HD1 TYR 75 7.112 -2.231 -14.585 431 HD2 TYR 75 HD2 TYR 75 10.931 -2.892 -12.834 432 HE1 TYR 75 HE1 TYR 75 8.161 -0.977 -16.420 433 HE2 TYR 75 HE2 TYR 75 11.994 -1.639 -14.666 434 HH TYR 75 HH TYR 75 10.296 -0.744 -17.508 435 H GLN 76 HN GLN 76 7.603 -4.293 -9.726 436 HA GLN 76 HA GLN 76 4.756 -4.546 -9.278 437 HB2 GLN 76 HB2 GLN 76 6.371 -6.929 -10.194 438 HB3 GLN 76 HB1 GLN 76 4.693 -6.962 -9.669 439 HG2 GLN 76 HG2 GLN 76 4.227 -5.340 -11.565 440 HG3 GLN 76 HG1 GLN 76 5.843 -5.733 -12.151 441 HE21 GLN 76 HE21 GLN 76 2.610 -6.878 -11.660 442 HE22 GLN 76 HE22 GLN 76 2.757 -8.324 -12.594 443 HA PRO 77 HA PRO 77 7.866 -5.048 -5.638 444 HB2 PRO 77 HB2 PRO 77 5.767 -3.174 -4.624 445 HB3 PRO 77 HB1 PRO 77 7.504 -3.201 -4.291 446 HG2 PRO 77 HG2 PRO 77 6.472 -1.428 -5.972 447 HG3 PRO 77 HG1 PRO 77 8.036 -2.196 -6.303 448 HD2 PRO 77 HD2 PRO 77 5.375 -2.685 -7.559 449 HD3 PRO 77 HD1 PRO 77 6.998 -2.802 -8.266 450 H THR 78 HN THR 78 7.487 -6.763 -4.342 451 HA THR 78 HA THR 78 4.965 -8.039 -4.247 452 HB THR 78 HB THR 78 7.053 -8.435 -2.122 453 HG1 THR 78 HG1 THR 78 8.353 -8.499 -3.844 454 HG21 THR 78 HG21 THR 78 5.284 -10.345 -3.628 455 HG22 THR 78 HG22 THR 78 5.104 -9.837 -1.948 456 HG23 THR 78 HG23 THR 78 6.497 -10.804 -2.432 457 H ILE 79 HN ILE 79 3.288 -6.914 -3.442 458 HA ILE 79 HA ILE 79 3.644 -5.615 -0.830 459 HB ILE 79 HB ILE 79 1.616 -4.979 -2.973 460 HG12 ILE 79 HG12 ILE 79 3.546 -2.926 -2.172 461 HG13 ILE 79 HG11 ILE 79 4.298 -4.332 -2.911 462 HG21 ILE 79 HG21 ILE 79 1.891 -4.180 -0.160 463 HG22 ILE 79 HG22 ILE 79 0.474 -4.176 -1.209 464 HG23 ILE 79 HG23 ILE 79 1.636 -2.852 -1.292 465 HD11 ILE 79 HD11 ILE 79 3.020 -4.045 -4.905 466 HD12 ILE 79 HD12 ILE 79 3.755 -2.494 -4.493 467 HD13 ILE 79 HD13 ILE 79 2.045 -2.780 -4.159 468 H GLU 80 HN GLU 80 2.864 -6.763 0.770 469 HA GLU 80 HA GLU 80 0.426 -8.358 0.348 470 HB2 GLU 80 HB2 GLU 80 2.772 -8.693 2.197 471 HB3 GLU 80 HB1 GLU 80 1.230 -9.459 2.554 472 HG2 GLU 80 HG2 GLU 80 1.413 -10.949 0.849 473 HG3 GLU 80 HG1 GLU 80 2.368 -9.857 -0.152 474 H PHE 81 HN PHE 81 -0.714 -8.664 2.653 475 HA PHE 81 HA PHE 81 -0.751 -6.129 4.096 476 HB2 PHE 81 HB2 PHE 81 -3.243 -7.340 2.889 477 HB3 PHE 81 HB1 PHE 81 -3.178 -5.908 3.910 478 HD1 PHE 81 HD2 PHE 81 -1.816 -3.916 3.052 479 HD2 PHE 81 HD1 PHE 81 -3.062 -7.153 0.588 480 HE1 PHE 81 HE2 PHE 81 -1.518 -2.507 1.058 481 HE2 PHE 81 HE1 PHE 81 -2.766 -5.750 -1.409 482 HZ PHE 81 HZ PHE 81 -1.993 -3.424 -1.176 483 H ASP 82 HN ASP 82 -1.494 -6.240 6.188 484 HA ASP 82 HA ASP 82 -2.154 -8.932 7.190 485 HB2 ASP 82 HB2 ASP 82 0.115 -8.239 7.874 486 HB3 ASP 82 HB1 ASP 82 -0.555 -6.785 8.607 487 H LEU 83 HN LEU 83 -4.350 -8.662 7.231 488 HA LEU 83 HA LEU 83 -5.569 -6.315 8.344 489 HB2 LEU 83 HB2 LEU 83 -6.423 -7.851 6.465 490 HB3 LEU 83 HB1 LEU 83 -6.939 -8.919 7.752 491 HG LEU 83 HG LEU 83 -8.634 -7.503 8.437 492 HD11 LEU 83 HD11 LEU 83 -8.670 -5.067 7.463 493 HD12 LEU 83 HD12 LEU 83 -6.930 -5.320 7.336 494 HD13 LEU 83 HD13 LEU 83 -7.728 -5.449 8.903 495 HD21 LEU 83 HD21 LEU 83 -9.669 -8.045 6.537 496 HD22 LEU 83 HD22 LEU 83 -8.239 -7.709 5.559 497 HD23 LEU 83 HD23 LEU 83 -9.318 -6.393 6.027 498 H ARG 84 HN ARG 84 -6.225 -5.979 10.365 499 HA ARG 84 HA ARG 84 -6.500 -8.263 12.176 500 HB2 ARG 84 HB2 ARG 84 -5.615 -6.129 13.775 501 HB3 ARG 84 HB1 ARG 84 -4.769 -7.621 13.425 502 HG2 ARG 84 HG2 ARG 84 -4.525 -5.543 11.369 503 HG3 ARG 84 HG1 ARG 84 -3.820 -5.146 12.934 504 HD2 ARG 84 HD2 ARG 84 -3.114 -7.818 12.340 505 HD3 ARG 84 HD1 ARG 84 -2.811 -6.853 10.902 506 HE ARG 84 HE ARG 84 -1.110 -5.778 12.005 507 HH11 ARG 84 HH11 ARG 84 -2.997 -7.607 14.301 508 HH12 ARG 84 HH12 ARG 84 -1.872 -7.376 15.597 509 HH21 ARG 84 HH21 ARG 84 0.369 -5.474 13.708 510 HH22 ARG 84 HH22 ARG 84 0.038 -6.165 15.261 511 HA PRO 85 HA PRO 85 -10.493 -6.020 12.039 512 HB2 PRO 85 HB2 PRO 85 -11.012 -8.418 13.742 513 HB3 PRO 85 HB1 PRO 85 -12.010 -7.703 12.469 514 HG2 PRO 85 HG2 PRO 85 -10.588 -9.894 11.988 515 HG3 PRO 85 HG1 PRO 85 -10.725 -8.616 10.765 516 HD2 PRO 85 HD2 PRO 85 -8.430 -9.314 12.528 517 HD3 PRO 85 HD1 PRO 85 -8.431 -8.664 10.878 518 HA PRO 86 HA PRO 86 -10.296 -5.527 16.728 519 HB2 PRO 86 HB2 PRO 86 -8.689 -7.090 18.219 520 HB3 PRO 86 HB1 PRO 86 -10.224 -7.667 17.565 521 HG2 PRO 86 HG2 PRO 86 -7.498 -8.412 16.810 522 HG3 PRO 86 HG1 PRO 86 -9.024 -9.222 16.427 523 HD2 PRO 86 HD2 PRO 86 -7.456 -7.361 14.801 524 HD3 PRO 86 HD1 PRO 86 -8.803 -8.412 14.314 525 HA PRO 87 HA PRO 87 -6.192 -3.231 16.117 526 HB2 PRO 87 HB2 PRO 87 -7.341 -0.749 16.178 527 HB3 PRO 87 HB1 PRO 87 -7.058 -1.660 14.694 528 HG2 PRO 87 HG2 PRO 87 -9.560 -1.408 16.309 529 HG3 PRO 87 HG1 PRO 87 -9.350 -1.334 14.551 530 HD2 PRO 87 HD2 PRO 87 -10.254 -3.553 15.750 531 HD3 PRO 87 HD1 PRO 87 -9.159 -3.645 14.356 532 H LYS 88 HN LYS 88 -5.477 -1.310 17.510 533 HA LYS 88 HA LYS 88 -6.280 -1.881 20.252 534 HB2 LYS 88 HB2 LYS 88 -4.231 -0.540 20.841 535 HB3 LYS 88 HB1 LYS 88 -3.953 -2.060 20.006 536 HG2 LYS 88 HG2 LYS 88 -2.578 -0.803 18.783 537 HG3 LYS 88 HG1 LYS 88 -4.040 -0.408 17.898 538 HD2 LYS 88 HD2 LYS 88 -2.738 1.597 18.427 539 HD3 LYS 88 HD1 LYS 88 -4.317 1.619 19.212 540 HE2 LYS 88 HE2 LYS 88 -2.247 0.379 20.846 541 HE3 LYS 88 HE1 LYS 88 -1.883 2.053 20.433 542 HZ1 LYS 88 HZ1 LYS 88 -4.554 1.339 21.442 543 HZ2 LYS 88 HZ2 LYS 88 -3.741 2.819 21.528 544 HZ3 LYS 88 HZ3 LYS 88 -3.271 1.538 22.527 545 H LYS 89 HN LYS 89 -6.115 0.762 17.945 546 HA LYS 89 HA LYS 89 -7.680 2.389 19.826 547 HB2 LYS 89 HB2 LYS 89 -5.287 3.125 19.714 548 HB3 LYS 89 HB1 LYS 89 -5.539 3.496 18.016 549 HG2 LYS 89 HG2 LYS 89 -5.706 5.518 19.270 550 HG3 LYS 89 HG1 LYS 89 -7.320 5.098 18.702 551 HD2 LYS 89 HD2 LYS 89 -7.255 3.837 21.111 552 HD3 LYS 89 HD1 LYS 89 -6.258 5.257 21.434 553 HE2 LYS 89 HE2 LYS 89 -8.690 5.565 21.917 554 HE3 LYS 89 HE1 LYS 89 -8.016 6.731 20.779 555 HZ1 LYS 89 HZ1 LYS 89 -9.247 4.297 19.709 556 HZ2 LYS 89 HZ2 LYS 89 -9.179 5.852 19.046 557 HZ3 LYS 89 HZ3 LYS 89 -10.266 5.514 20.297 558 H GLY 90 HN GLY 90 -8.601 0.733 17.640 559 HA2 GLY 90 HA2 GLY 90 -10.170 2.773 16.321 560 HA3 GLY 90 HA1 GLY 90 -9.097 1.881 15.262 561 H ARG 91 HN ARG 91 -10.911 1.102 14.102 562 HA ARG 91 HA ARG 91 -12.588 -0.834 15.544 563 HB2 ARG 91 HB2 ARG 91 -12.984 0.574 12.902 564 HB3 ARG 91 HB1 ARG 91 -14.027 -0.720 13.475 565 HG2 ARG 91 HG2 ARG 91 -13.575 1.917 14.856 566 HG3 ARG 91 HG1 ARG 91 -14.995 1.472 13.907 567 HD2 ARG 91 HD2 ARG 91 -15.096 -0.548 15.569 568 HD3 ARG 91 HD1 ARG 91 -14.123 0.506 16.594 569 HE ARG 91 HE ARG 91 -15.970 1.813 16.954 570 HH11 ARG 91 HH11 ARG 91 -16.595 -0.323 14.266 571 HH12 ARG 91 HH12 ARG 91 -18.276 0.084 14.172 572 HH21 ARG 91 HH21 ARG 91 -18.180 2.349 16.832 573 HH22 ARG 91 HH22 ARG 91 -19.176 1.601 15.628 574 H GLN 92 HN GLN 92 -10.789 -0.429 12.506 575 HA GLN 92 HA GLN 92 -9.994 -3.227 12.618 576 HB2 GLN 92 HB2 GLN 92 -11.782 -2.055 10.540 577 HB3 GLN 92 HB1 GLN 92 -10.555 -3.197 10.011 578 HG2 GLN 92 HG2 GLN 92 -11.644 -4.493 12.145 579 HG3 GLN 92 HG1 GLN 92 -13.038 -3.646 11.478 580 HE21 GLN 92 HE21 GLN 92 -10.212 -5.402 10.217 581 HE22 GLN 92 HE22 GLN 92 -11.104 -6.363 9.091 582 H VAL 93 HN VAL 93 -7.872 -3.372 12.143 583 HA VAL 93 HA VAL 93 -6.636 -1.126 10.709 584 HB VAL 93 HB VAL 93 -4.496 -2.176 11.706 585 HG11 VAL 93 HG11 VAL 93 -5.095 -1.011 13.972 586 HG12 VAL 93 HG12 VAL 93 -6.550 -0.532 13.098 587 HG13 VAL 93 HG13 VAL 93 -4.962 -0.068 12.488 588 HG21 VAL 93 HG21 VAL 93 -6.403 -3.186 13.779 589 HG22 VAL 93 HG22 VAL 93 -4.680 -3.512 13.609 590 HG23 VAL 93 HG23 VAL 93 -5.827 -4.206 12.464 591 H LEU 94 HN LEU 94 -5.313 -1.455 9.000 592 HA LEU 94 HA LEU 94 -4.839 -4.194 8.079 593 HB2 LEU 94 HB2 LEU 94 -6.826 -3.361 6.905 594 HB3 LEU 94 HB1 LEU 94 -5.928 -1.957 6.366 595 HG LEU 94 HG LEU 94 -6.320 -4.006 4.773 596 HD11 LEU 94 HD11 LEU 94 -5.164 -2.405 3.705 597 HD12 LEU 94 HD12 LEU 94 -3.800 -3.488 3.984 598 HD13 LEU 94 HD13 LEU 94 -4.080 -2.125 5.068 599 HD21 LEU 94 HD21 LEU 94 -4.884 -5.780 4.891 600 HD22 LEU 94 HD22 LEU 94 -5.104 -5.451 6.609 601 HD23 LEU 94 HD23 LEU 94 -3.659 -4.874 5.779 602 H ILE 95 HN ILE 95 -2.722 -4.440 7.843 603 HA ILE 95 HA ILE 95 -1.030 -2.104 7.405 604 HB ILE 95 HB ILE 95 -0.182 -4.956 7.915 605 HG12 ILE 95 HG12 ILE 95 -0.502 -2.663 9.866 606 HG13 ILE 95 HG11 ILE 95 -1.539 -4.083 9.774 607 HG21 ILE 95 HG21 ILE 95 1.246 -2.371 7.619 608 HG22 ILE 95 HG22 ILE 95 1.724 -3.994 7.122 609 HG23 ILE 95 HG23 ILE 95 1.853 -3.516 8.815 610 HD11 ILE 95 HD11 ILE 95 0.184 -4.099 11.594 611 HD12 ILE 95 HD12 ILE 95 1.407 -4.239 10.331 612 HD13 ILE 95 HD13 ILE 95 0.193 -5.503 10.527 613 H ALA 96 HN ALA 96 0.589 -2.037 5.771 614 HA ALA 96 HA ALA 96 0.212 -3.895 3.528 615 HB1 ALA 96 HB1 ALA 96 -1.099 -1.857 3.081 616 HB2 ALA 96 HB2 ALA 96 0.214 -2.082 1.926 617 HB3 ALA 96 HB3 ALA 96 0.374 -0.899 3.224 618 H LYS 97 HN LYS 97 2.127 -4.903 3.464 619 HA LYS 97 HA LYS 97 4.576 -3.294 3.712 620 HB2 LYS 97 HB2 LYS 97 4.383 -6.300 3.855 621 HB3 LYS 97 HB1 LYS 97 5.728 -5.283 4.352 622 HG2 LYS 97 HG2 LYS 97 4.676 -4.609 6.293 623 HG3 LYS 97 HG1 LYS 97 3.067 -4.983 5.672 624 HD2 LYS 97 HD2 LYS 97 4.999 -7.221 5.973 625 HD3 LYS 97 HD1 LYS 97 4.289 -6.541 7.438 626 HE2 LYS 97 HE2 LYS 97 2.233 -7.352 6.977 627 HE3 LYS 97 HE1 LYS 97 2.404 -7.088 5.242 628 HZ1 LYS 97 HZ1 LYS 97 3.749 -9.280 6.723 629 HZ2 LYS 97 HZ2 LYS 97 3.688 -9.071 5.046 630 HZ3 LYS 97 HZ3 LYS 97 2.281 -9.458 5.901 631 H VAL 98 HN VAL 98 5.896 -3.042 2.017 632 HA VAL 98 HA VAL 98 5.368 -4.662 -0.389 633 HB VAL 98 HB VAL 98 4.677 -2.333 -0.693 634 HG11 VAL 98 HG11 VAL 98 5.811 -0.702 0.292 635 HG12 VAL 98 HG12 VAL 98 7.118 -0.956 -0.865 636 HG13 VAL 98 HG13 VAL 98 7.134 -1.800 0.684 637 HG21 VAL 98 HG21 VAL 98 5.388 -2.302 -2.823 638 HG22 VAL 98 HG22 VAL 98 6.161 -3.830 -2.412 639 HG23 VAL 98 HG23 VAL 98 7.090 -2.332 -2.364 640 H THR 99 HN THR 99 7.135 -5.288 -1.671 641 HA THR 99 HA THR 99 9.824 -4.618 -0.876 642 HB THR 99 HB THR 99 8.855 -7.471 -0.614 643 HG1 THR 99 HG1 THR 99 9.763 -5.654 1.365 644 HG21 THR 99 HG21 THR 99 11.367 -6.750 -1.291 645 HG22 THR 99 HG22 THR 99 10.956 -8.189 -0.357 646 HG23 THR 99 HG23 THR 99 11.470 -6.718 0.470 647 HA PRO 100 HA PRO 100 9.592 -5.669 -5.300 648 HB2 PRO 100 HB2 PRO 100 10.786 -3.345 -6.149 649 HB3 PRO 100 HB1 PRO 100 9.057 -3.577 -5.938 650 HG2 PRO 100 HG2 PRO 100 10.849 -1.937 -4.397 651 HG3 PRO 100 HG1 PRO 100 9.097 -2.035 -4.280 652 HD2 PRO 100 HD2 PRO 100 11.149 -3.266 -2.599 653 HD3 PRO 100 HD1 PRO 100 9.411 -3.078 -2.293 654 H GLY 101 HN GLY 101 12.365 -3.500 -5.014 655 HA2 GLY 101 HA2 GLY 101 14.439 -5.136 -4.394 656 HA3 GLY 101 HA1 GLY 101 14.087 -5.562 -6.061 657 H VAL 102 HN VAL 102 13.857 -3.526 -7.532 658 HA VAL 102 HA VAL 102 16.110 -1.737 -6.887 659 HB VAL 102 HB VAL 102 16.349 -3.380 -8.839 660 HG11 VAL 102 HG11 VAL 102 14.563 -1.354 -10.191 661 HG12 VAL 102 HG12 VAL 102 14.104 -3.009 -9.787 662 HG13 VAL 102 HG13 VAL 102 15.385 -2.712 -10.962 663 HG21 VAL 102 HG21 VAL 102 17.953 -1.670 -8.599 664 HG22 VAL 102 HG22 VAL 102 16.812 -0.420 -9.094 665 HG23 VAL 102 HG23 VAL 102 17.417 -1.582 -10.276 666 H LEU 103 HN LEU 103 15.990 0.448 -7.475 667 HA LEU 103 HA LEU 103 13.413 1.445 -8.432 668 HB2 LEU 103 HB2 LEU 103 13.420 1.458 -5.924 669 HB3 LEU 103 HB1 LEU 103 14.769 2.576 -5.987 670 HG LEU 103 HG LEU 103 12.993 3.884 -7.556 671 HD11 LEU 103 HD11 LEU 103 11.182 3.015 -5.386 672 HD12 LEU 103 HD12 LEU 103 11.404 1.908 -6.740 673 HD13 LEU 103 HD13 LEU 103 10.818 3.544 -7.027 674 HD21 LEU 103 HD21 LEU 103 12.664 4.273 -4.637 675 HD22 LEU 103 HD22 LEU 103 12.998 5.448 -5.910 676 HD23 LEU 103 HD23 LEU 103 14.293 4.419 -5.298 677 H GLU 104 HN GLU 104 13.570 3.195 -9.737 678 HA GLU 104 HA GLU 104 16.275 4.169 -10.297 679 HB2 GLU 104 HB2 GLU 104 15.154 5.134 -12.364 680 HB3 GLU 104 HB1 GLU 104 15.234 3.380 -12.266 681 HG2 GLU 104 HG2 GLU 104 12.981 3.151 -11.971 682 HG3 GLU 104 HG1 GLU 104 12.804 4.744 -11.236 683 H HIS 105 HN HIS 105 16.826 5.930 -9.195 684 HA HIS 105 HA HIS 105 14.786 7.912 -8.514 685 HB2 HIS 105 HB2 HIS 105 16.653 6.893 -6.926 686 HB3 HIS 105 HB1 HIS 105 17.624 8.181 -7.631 687 HD1 HIS 105 HD1 HIS 105 14.203 7.877 -5.977 688 HD2 HIS 105 HD2 HIS 105 17.433 10.480 -6.231 689 HE1 HIS 105 HE1 HIS 105 13.647 9.790 -4.442 690 HE2 HIS 105 HE2 HIS 105 15.576 11.393 -4.680 691 H HIS 106 HN HIS 106 17.698 7.504 -10.414 692 HA HIS 106 HA HIS 106 17.247 10.176 -11.564 693 HB2 HIS 106 HB2 HIS 106 19.756 10.269 -11.916 694 HB3 HIS 106 HB1 HIS 106 19.213 10.428 -10.249 695 HD1 HIS 106 HD1 HIS 106 21.583 8.643 -12.268 696 HD2 HIS 106 HD2 HIS 106 19.405 7.804 -8.830 697 HE1 HIS 106 HE1 HIS 106 22.756 6.699 -11.187 698 HE2 HIS 106 HE2 HIS 106 21.471 6.266 -9.063 699 H HIS 107 HN HIS 107 16.304 7.569 -12.445 700 HA HIS 107 HA HIS 107 16.068 6.376 -14.366 701 HB2 HIS 107 HB2 HIS 107 16.542 9.017 -15.143 702 HB3 HIS 107 HB1 HIS 107 17.617 8.059 -16.155 703 HD1 HIS 107 HD1 HIS 107 15.001 9.609 -17.113 704 HD2 HIS 107 HD2 HIS 107 15.337 5.529 -16.405 705 HE1 HIS 107 HE1 HIS 107 13.178 8.538 -18.474 706 HE2 HIS 107 HE2 HIS 107 13.457 6.062 -18.099 707 H HIS 108 HN HIS 108 17.215 5.041 -15.927 708 HA HIS 108 HA HIS 108 20.105 4.841 -15.449 709 HB2 HIS 108 HB2 HIS 108 19.783 2.307 -15.474 710 HB3 HIS 108 HB1 HIS 108 19.276 3.153 -14.016 711 HD1 HIS 108 HD1 HIS 108 17.699 1.847 -17.224 712 HD2 HIS 108 HD2 HIS 108 16.761 2.528 -13.234 713 HE1 HIS 108 HE1 HIS 108 15.371 0.946 -16.918 714 HE2 HIS 108 HE2 HIS 108 14.793 1.447 -14.517 715 H HIS 109 HN HIS 109 21.150 4.933 -17.313 716 HA HIS 109 HA HIS 109 19.804 3.923 -19.733 717 HB2 HIS 109 HB2 HIS 109 21.248 5.547 -20.982 718 HB3 HIS 109 HB1 HIS 109 20.076 6.304 -19.909 719 HD1 HIS 109 HD1 HIS 109 23.768 5.465 -20.042 720 HD2 HIS 109 HD2 HIS 109 21.148 8.019 -18.072 721 HE1 HIS 109 HE1 HIS 109 25.223 7.034 -18.722 722 HE2 HIS 109 HE2 HIS 109 23.614 8.514 -17.471 723 H HIS 110 HN HIS 110 21.703 3.675 -21.521 724 HA HIS 110 HA HIS 110 24.026 2.343 -20.389 725 HB2 HIS 110 HB2 HIS 110 21.856 0.786 -20.864 726 HB3 HIS 110 HB1 HIS 110 22.647 0.714 -22.435 727 HD1 HIS 110 HD1 HIS 110 24.220 0.667 -18.973 728 HD2 HIS 110 HD2 HIS 110 23.908 -1.686 -22.384 729 HE1 HIS 110 HE1 HIS 110 25.704 -1.320 -18.557 730 HE2 HIS 110 HE2 HIS 110 25.430 -2.773 -20.597 Start of MODEL 3 1 H1 ALA 22 HT1 ALA 22 -14.148 8.654 7.504 2 H2 ALA 22 HT2 ALA 22 -12.591 9.340 7.730 3 H3 ALA 22 HT3 ALA 22 -13.641 9.126 9.071 4 HA ALA 22 HA ALA 22 -13.569 6.749 8.719 5 HB1 ALA 22 HB1 ALA 22 -12.420 5.763 7.039 6 HB2 ALA 22 HB2 ALA 22 -11.170 7.008 7.014 7 HB3 ALA 22 HB3 ALA 22 -12.727 7.304 6.239 8 H ASN 23 HN ASN 23 -12.464 5.834 10.346 9 HA ASN 23 HA ASN 23 -10.215 7.352 11.467 10 HB2 ASN 23 HB2 ASN 23 -12.190 5.427 12.678 11 HB3 ASN 23 HB1 ASN 23 -10.704 5.865 13.512 12 HD21 ASN 23 HD21 ASN 23 -10.399 8.459 13.121 13 HD22 ASN 23 HD22 ASN 23 -11.741 9.359 13.731 14 H VAL 24 HN VAL 24 -9.556 5.877 9.273 15 HA VAL 24 HA VAL 24 -7.791 3.867 10.451 16 HB VAL 24 HB VAL 24 -8.239 2.246 8.677 17 HG11 VAL 24 HG11 VAL 24 -10.976 2.686 9.662 18 HG12 VAL 24 HG12 VAL 24 -9.720 2.645 10.899 19 HG13 VAL 24 HG13 VAL 24 -9.927 1.276 9.808 20 HG21 VAL 24 HG21 VAL 24 -10.559 3.985 7.859 21 HG22 VAL 24 HG22 VAL 24 -10.011 2.491 7.100 22 HG23 VAL 24 HG23 VAL 24 -9.016 3.944 7.006 23 H ARG 25 HN ARG 25 -5.896 3.466 9.272 24 HA ARG 25 HA ARG 25 -5.414 4.965 6.829 25 HB2 ARG 25 HB2 ARG 25 -3.906 5.459 9.397 26 HB3 ARG 25 HB1 ARG 25 -3.286 5.920 7.818 27 HG2 ARG 25 HG2 ARG 25 -5.002 7.498 7.489 28 HG3 ARG 25 HG1 ARG 25 -5.951 6.857 8.831 29 HD2 ARG 25 HD2 ARG 25 -4.708 7.930 10.402 30 HD3 ARG 25 HD1 ARG 25 -3.224 7.821 9.457 31 HE ARG 25 HE ARG 25 -3.705 9.856 8.521 32 HH11 ARG 25 HH11 ARG 25 -6.557 8.638 10.122 33 HH12 ARG 25 HH12 ARG 25 -7.442 10.115 9.940 34 HH21 ARG 25 HH21 ARG 25 -4.869 11.799 8.280 35 HH22 ARG 25 HH22 ARG 25 -6.485 11.909 8.893 36 H LEU 26 HN LEU 26 -4.301 3.710 5.473 37 HA LEU 26 HA LEU 26 -3.295 1.186 6.282 38 HB2 LEU 26 HB2 LEU 26 -4.002 2.337 3.874 39 HB3 LEU 26 HB1 LEU 26 -2.262 2.180 3.738 40 HG LEU 26 HG LEU 26 -2.761 -0.279 4.588 41 HD11 LEU 26 HD11 LEU 26 -4.916 -0.919 3.241 42 HD12 LEU 26 HD12 LEU 26 -5.370 0.749 3.592 43 HD13 LEU 26 HD13 LEU 26 -5.023 -0.366 4.912 44 HD21 LEU 26 HD21 LEU 26 -1.660 -0.227 2.602 45 HD22 LEU 26 HD22 LEU 26 -2.766 0.947 1.892 46 HD23 LEU 26 HD23 LEU 26 -3.241 -0.746 2.016 47 H GLN 27 HN GLN 27 -1.185 0.418 6.372 48 HA GLN 27 HA GLN 27 0.803 2.476 7.005 49 HB2 GLN 27 HB2 GLN 27 0.103 0.080 8.254 50 HB3 GLN 27 HB1 GLN 27 1.651 -0.257 7.493 51 HG2 GLN 27 HG2 GLN 27 1.445 2.277 8.990 52 HG3 GLN 27 HG1 GLN 27 1.406 0.791 9.937 53 HE21 GLN 27 HE21 GLN 27 3.370 0.867 10.865 54 HE22 GLN 27 HE22 GLN 27 4.864 0.861 9.997 55 H VAL 28 HN VAL 28 2.625 2.768 5.846 56 HA VAL 28 HA VAL 28 2.887 1.239 3.368 57 HB VAL 28 HB VAL 28 4.743 3.035 2.961 58 HG11 VAL 28 HG11 VAL 28 3.108 4.499 1.951 59 HG12 VAL 28 HG12 VAL 28 1.831 3.805 2.951 60 HG13 VAL 28 HG13 VAL 28 2.630 2.816 1.728 61 HG21 VAL 28 HG21 VAL 28 4.307 3.784 5.464 62 HG22 VAL 28 HG22 VAL 28 3.067 4.772 4.691 63 HG23 VAL 28 HG23 VAL 28 4.756 4.942 4.211 64 H GLU 29 HN GLU 29 4.410 -0.241 3.048 65 HA GLU 29 HA GLU 29 6.869 -0.135 4.629 66 HB2 GLU 29 HB2 GLU 29 4.821 -2.286 4.717 67 HB3 GLU 29 HB1 GLU 29 6.507 -2.782 4.717 68 HG2 GLU 29 HG2 GLU 29 6.875 -1.272 6.664 69 HG3 GLU 29 HG1 GLU 29 5.135 -0.995 6.707 70 H GLY 30 HN GLY 30 8.565 -0.336 3.347 71 HA2 GLY 30 HA2 GLY 30 9.922 -1.377 1.753 72 HA3 GLY 30 HA1 GLY 30 8.514 -2.208 1.114 73 H LEU 31 HN LEU 31 8.988 1.253 1.644 74 HA LEU 31 HA LEU 31 9.155 1.696 -1.230 75 HB2 LEU 31 HB2 LEU 31 7.230 3.315 0.382 76 HB3 LEU 31 HB1 LEU 31 7.369 3.183 -1.350 77 HG LEU 31 HG LEU 31 6.590 0.792 0.267 78 HD11 LEU 31 HD11 LEU 31 4.894 2.092 1.036 79 HD12 LEU 31 HD12 LEU 31 4.207 1.616 -0.516 80 HD13 LEU 31 HD13 LEU 31 4.968 3.195 -0.335 81 HD21 LEU 31 HD21 LEU 31 6.834 0.027 -1.839 82 HD22 LEU 31 HD22 LEU 31 6.636 1.624 -2.558 83 HD23 LEU 31 HD23 LEU 31 5.219 0.704 -2.047 84 H SER 32 HN SER 32 9.834 3.848 -1.792 85 HA SER 32 HA SER 32 10.896 5.525 0.320 86 HB2 SER 32 HB2 SER 32 12.629 4.028 -1.630 87 HB3 SER 32 HB1 SER 32 13.173 5.526 -0.875 88 HG SER 32 HG SER 32 13.718 3.468 0.214 89 H GLY 33 HN GLY 33 11.123 7.640 -0.278 90 HA2 GLY 33 HA2 GLY 33 10.761 9.535 -1.517 91 HA3 GLY 33 HA1 GLY 33 11.473 8.639 -2.849 92 H GLN 34 HN GLN 34 10.185 9.212 -4.494 93 HA GLN 34 HA GLN 34 7.545 9.839 -4.580 94 HB2 GLN 34 HB2 GLN 34 9.471 8.738 -6.518 95 HB3 GLN 34 HB1 GLN 34 7.781 8.493 -6.936 96 HG2 GLN 34 HG2 GLN 34 8.465 10.506 -7.963 97 HG3 GLN 34 HG1 GLN 34 7.435 10.949 -6.602 98 HE21 GLN 34 HE21 GLN 34 9.211 12.716 -7.811 99 HE22 GLN 34 HE22 GLN 34 10.454 13.117 -6.680 100 H LEU 35 HN LEU 35 8.920 6.614 -4.437 101 HA LEU 35 HA LEU 35 6.600 5.153 -5.038 102 HB2 LEU 35 HB2 LEU 35 8.781 4.299 -3.165 103 HB3 LEU 35 HB1 LEU 35 7.733 3.265 -4.089 104 HG LEU 35 HG LEU 35 10.158 4.760 -4.930 105 HD11 LEU 35 HD11 LEU 35 9.467 2.098 -4.635 106 HD12 LEU 35 HD12 LEU 35 10.899 2.730 -5.447 107 HD13 LEU 35 HD13 LEU 35 9.450 2.357 -6.381 108 HD21 LEU 35 HD21 LEU 35 9.018 5.762 -6.594 109 HD22 LEU 35 HD22 LEU 35 7.682 4.616 -6.517 110 HD23 LEU 35 HD23 LEU 35 9.170 4.178 -7.354 111 H GLU 36 HN GLU 36 8.065 5.844 -1.870 112 HA GLU 36 HA GLU 36 5.981 4.848 -0.314 113 HB2 GLU 36 HB2 GLU 36 7.163 5.630 1.464 114 HB3 GLU 36 HB1 GLU 36 8.414 5.809 0.247 115 HG2 GLU 36 HG2 GLU 36 7.711 8.181 -0.034 116 HG3 GLU 36 HG1 GLU 36 6.611 7.962 1.327 117 H LYS 37 HN LYS 37 6.364 7.925 -1.918 118 HA LYS 37 HA LYS 37 4.184 9.227 -0.600 119 HB2 LYS 37 HB2 LYS 37 5.123 10.067 -3.311 120 HB3 LYS 37 HB1 LYS 37 4.631 11.058 -1.946 121 HG2 LYS 37 HG2 LYS 37 6.860 9.828 -0.967 122 HG3 LYS 37 HG1 LYS 37 7.266 10.029 -2.673 123 HD2 LYS 37 HD2 LYS 37 6.169 12.457 -2.050 124 HD3 LYS 37 HD1 LYS 37 6.997 12.029 -0.551 125 HE2 LYS 37 HE2 LYS 37 9.080 11.944 -1.582 126 HE3 LYS 37 HE1 LYS 37 8.384 11.760 -3.191 127 HZ1 LYS 37 HZ1 LYS 37 9.355 13.996 -2.673 128 HZ2 LYS 37 HZ2 LYS 37 8.083 14.231 -1.583 129 HZ3 LYS 37 HZ3 LYS 37 7.757 14.019 -3.229 130 H ASN 38 HN ASN 38 4.601 7.904 -3.889 131 HA ASN 38 HA ASN 38 2.020 8.297 -4.815 132 HB2 ASN 38 HB2 ASN 38 4.279 7.145 -5.835 133 HB3 ASN 38 HB1 ASN 38 3.234 5.741 -5.640 134 HD21 ASN 38 HD21 ASN 38 3.132 9.070 -6.857 135 HD22 ASN 38 HD22 ASN 38 2.145 8.718 -8.230 136 H VAL 39 HN VAL 39 3.350 5.504 -3.072 137 HA VAL 39 HA VAL 39 1.033 3.938 -3.061 138 HB VAL 39 HB VAL 39 3.112 4.027 -0.873 139 HG11 VAL 39 HG11 VAL 39 0.839 2.279 -1.506 140 HG12 VAL 39 HG12 VAL 39 1.660 2.565 0.028 141 HG13 VAL 39 HG13 VAL 39 2.345 1.437 -1.141 142 HG21 VAL 39 HG21 VAL 39 4.612 3.182 -2.281 143 HG22 VAL 39 HG22 VAL 39 3.476 3.432 -3.606 144 HG23 VAL 39 HG23 VAL 39 3.500 1.894 -2.743 145 H ARG 40 HN ARG 40 2.233 6.271 -0.652 146 HA ARG 40 HA ARG 40 0.286 6.049 1.273 147 HB2 ARG 40 HB2 ARG 40 2.059 8.222 0.341 148 HB3 ARG 40 HB1 ARG 40 0.658 8.739 1.268 149 HG2 ARG 40 HG2 ARG 40 2.169 6.489 2.410 150 HG3 ARG 40 HG1 ARG 40 3.017 8.035 2.355 151 HD2 ARG 40 HD2 ARG 40 1.754 8.904 3.983 152 HD3 ARG 40 HD1 ARG 40 0.264 8.278 3.277 153 HE ARG 40 HE ARG 40 1.632 6.135 4.421 154 HH11 ARG 40 HH11 ARG 40 0.051 9.077 5.435 155 HH12 ARG 40 HH12 ARG 40 -0.391 8.451 6.989 156 HH21 ARG 40 HH21 ARG 40 1.051 5.311 6.463 157 HH22 ARG 40 HH22 ARG 40 0.178 6.314 7.573 158 H ALA 41 HN ALA 41 0.146 7.823 -1.778 159 HA ALA 41 HA ALA 41 -2.357 9.057 -1.369 160 HB1 ALA 41 HB1 ALA 41 -2.309 8.860 -4.031 161 HB2 ALA 41 HB2 ALA 41 -0.613 8.506 -3.701 162 HB3 ALA 41 HB3 ALA 41 -1.321 10.023 -3.147 163 H GLN 42 HN GLN 42 -1.460 6.037 -3.028 164 HA GLN 42 HA GLN 42 -4.091 5.265 -3.688 165 HB2 GLN 42 HB2 GLN 42 -1.670 3.512 -3.213 166 HB3 GLN 42 HB1 GLN 42 -3.145 3.023 -4.035 167 HG2 GLN 42 HG2 GLN 42 -2.465 3.888 -5.966 168 HG3 GLN 42 HG1 GLN 42 -1.992 5.406 -5.209 169 HE21 GLN 42 HE21 GLN 42 -0.192 5.462 -6.593 170 HE22 GLN 42 HE22 GLN 42 1.200 4.493 -6.284 171 H LEU 43 HN LEU 43 -2.086 4.822 -0.856 172 HA LEU 43 HA LEU 43 -3.635 2.899 0.486 173 HB2 LEU 43 HB2 LEU 43 -1.900 5.069 1.658 174 HB3 LEU 43 HB1 LEU 43 -2.468 3.646 2.505 175 HG LEU 43 HG LEU 43 -0.166 3.977 0.741 176 HD11 LEU 43 HD11 LEU 43 -0.261 3.220 3.158 177 HD12 LEU 43 HD12 LEU 43 0.747 2.273 2.064 178 HD13 LEU 43 HD13 LEU 43 -0.839 1.674 2.538 179 HD21 LEU 43 HD21 LEU 43 -1.313 2.793 -0.931 180 HD22 LEU 43 HD22 LEU 43 -2.094 1.728 0.236 181 HD23 LEU 43 HD23 LEU 43 -0.368 1.570 -0.083 182 H SER 44 HN SER 44 -3.895 6.380 0.239 183 HA SER 44 HA SER 44 -5.895 6.584 2.304 184 HB2 SER 44 HB2 SER 44 -4.783 8.540 0.293 185 HB3 SER 44 HB1 SER 44 -6.105 8.958 1.382 186 HG SER 44 HG SER 44 -3.421 8.646 1.900 187 H THR 45 HN THR 45 -5.834 6.160 -1.154 188 HA THR 45 HA THR 45 -8.624 6.826 -1.495 189 HB THR 45 HB THR 45 -7.924 5.550 -3.802 190 HG1 THR 45 HG1 THR 45 -5.572 6.871 -2.966 191 HG21 THR 45 HG21 THR 45 -8.096 8.292 -2.925 192 HG22 THR 45 HG22 THR 45 -8.548 7.565 -4.467 193 HG23 THR 45 HG23 THR 45 -6.884 8.081 -4.189 194 H ILE 46 HN ILE 46 -6.863 4.037 -0.594 195 HA ILE 46 HA ILE 46 -8.169 1.891 -1.637 196 HB ILE 46 HB ILE 46 -7.499 2.146 1.294 197 HG12 ILE 46 HG12 ILE 46 -5.777 1.423 -1.084 198 HG13 ILE 46 HG11 ILE 46 -5.558 2.778 0.018 199 HG21 ILE 46 HG21 ILE 46 -7.087 -0.328 1.042 200 HG22 ILE 46 HG22 ILE 46 -7.870 -0.218 -0.533 201 HG23 ILE 46 HG23 ILE 46 -8.772 0.174 0.929 202 HD11 ILE 46 HD11 ILE 46 -5.414 -0.078 0.905 203 HD12 ILE 46 HD12 ILE 46 -4.886 1.363 1.772 204 HD13 ILE 46 HD13 ILE 46 -4.015 0.830 0.335 205 H GLU 47 HN GLU 47 -9.862 0.486 -0.740 206 HA GLU 47 HA GLU 47 -12.287 1.907 -0.352 207 HB2 GLU 47 HB2 GLU 47 -11.832 -1.047 0.058 208 HB3 GLU 47 HB1 GLU 47 -13.350 -0.243 -0.315 209 HG2 GLU 47 HG2 GLU 47 -11.187 0.183 -2.257 210 HG3 GLU 47 HG1 GLU 47 -11.789 -1.469 -2.135 211 H SER 48 HN SER 48 -9.897 1.406 1.829 212 HA SER 48 HA SER 48 -11.192 0.423 4.108 213 HB2 SER 48 HB2 SER 48 -9.165 2.382 4.771 214 HB3 SER 48 HB1 SER 48 -9.152 0.635 5.003 215 HG SER 48 HG SER 48 -7.509 1.583 3.545 216 H ASP 49 HN ASP 49 -12.320 2.943 2.506 217 HA ASP 49 HA ASP 49 -12.558 4.949 4.515 218 HB2 ASP 49 HB2 ASP 49 -13.701 4.486 1.801 219 HB3 ASP 49 HB1 ASP 49 -14.524 5.627 2.861 220 H GLU 50 HN GLU 50 -13.365 2.330 5.434 221 HA GLU 50 HA GLU 50 -14.881 1.659 7.014 222 HB2 GLU 50 HB2 GLU 50 -15.744 4.226 6.690 223 HB3 GLU 50 HB1 GLU 50 -17.145 3.322 6.131 224 HG2 GLU 50 HG2 GLU 50 -17.380 2.222 8.204 225 HG3 GLU 50 HG1 GLU 50 -15.793 2.764 8.750 226 H VAL 51 HN VAL 51 -14.537 -0.033 5.277 227 HA VAL 51 HA VAL 51 -17.165 -0.774 4.200 228 HB VAL 51 HB VAL 51 -16.257 -1.586 2.162 229 HG11 VAL 51 HG11 VAL 51 -16.686 0.780 2.134 230 HG12 VAL 51 HG12 VAL 51 -15.240 0.449 1.180 231 HG13 VAL 51 HG13 VAL 51 -15.090 1.117 2.806 232 HG21 VAL 51 HG21 VAL 51 -13.635 -1.243 3.538 233 HG22 VAL 51 HG22 VAL 51 -13.703 -1.118 1.780 234 HG23 VAL 51 HG23 VAL 51 -14.237 -2.596 2.579 235 H THR 52 HN THR 52 -16.544 -3.250 3.185 236 HA THR 52 HA THR 52 -15.898 -4.719 5.638 237 HB THR 52 HB THR 52 -18.075 -5.207 4.658 238 HG1 THR 52 HG1 THR 52 -16.278 -7.354 4.217 239 HG21 THR 52 HG21 THR 52 -17.193 -6.682 2.344 240 HG22 THR 52 HG22 THR 52 -16.831 -4.962 2.199 241 HG23 THR 52 HG23 THR 52 -18.485 -5.493 2.503 242 HA PRO 53 HA PRO 53 -12.020 -5.424 3.318 243 HB2 PRO 53 HB2 PRO 53 -10.597 -6.206 5.512 244 HB3 PRO 53 HB1 PRO 53 -10.815 -4.518 5.040 245 HG2 PRO 53 HG2 PRO 53 -12.274 -6.111 7.108 246 HG3 PRO 53 HG1 PRO 53 -11.686 -4.440 7.189 247 HD2 PRO 53 HD2 PRO 53 -14.277 -5.038 6.711 248 HD3 PRO 53 HD1 PRO 53 -13.486 -3.617 6.000 249 H ASP 54 HN ASP 54 -12.012 -7.238 2.181 250 HA ASP 54 HA ASP 54 -11.826 -9.795 3.548 251 HB2 ASP 54 HB2 ASP 54 -14.283 -9.049 2.665 252 HB3 ASP 54 HB1 ASP 54 -13.652 -9.841 1.224 253 H ARG 55 HN ARG 55 -11.703 -11.554 1.606 254 HA ARG 55 HA ARG 55 -9.244 -11.375 0.470 255 HB2 ARG 55 HB2 ARG 55 -11.351 -13.168 0.338 256 HB3 ARG 55 HB1 ARG 55 -11.095 -12.714 -1.341 257 HG2 ARG 55 HG2 ARG 55 -9.718 -14.547 -1.093 258 HG3 ARG 55 HG1 ARG 55 -8.606 -13.198 -0.849 259 HD2 ARG 55 HD2 ARG 55 -8.262 -13.709 1.317 260 HD3 ARG 55 HD1 ARG 55 -9.945 -14.163 1.582 261 HE ARG 55 HE ARG 55 -7.768 -15.905 0.925 262 HH11 ARG 55 HH11 ARG 55 -11.224 -15.477 0.695 263 HH12 ARG 55 HH12 ARG 55 -11.551 -17.172 0.568 264 HH21 ARG 55 HH21 ARG 55 -8.197 -18.135 0.757 265 HH22 ARG 55 HH22 ARG 55 -9.833 -18.682 0.603 266 H ARG 56 HN ARG 56 -12.177 -9.907 -0.703 267 HA ARG 56 HA ARG 56 -11.108 -9.241 -3.286 268 HB2 ARG 56 HB2 ARG 56 -13.172 -7.691 -3.320 269 HB3 ARG 56 HB1 ARG 56 -13.435 -9.429 -3.308 270 HG2 ARG 56 HG2 ARG 56 -13.317 -8.269 -0.638 271 HG3 ARG 56 HG1 ARG 56 -14.614 -7.608 -1.635 272 HD2 ARG 56 HD2 ARG 56 -15.413 -9.869 -2.101 273 HD3 ARG 56 HD1 ARG 56 -14.106 -10.538 -1.125 274 HE ARG 56 HE ARG 56 -15.522 -8.756 0.476 275 HH11 ARG 56 HH11 ARG 56 -16.066 -11.787 -1.165 276 HH12 ARG 56 HH12 ARG 56 -17.249 -12.335 -0.026 277 HH21 ARG 56 HH21 ARG 56 -17.078 -9.475 1.976 278 HH22 ARG 56 HH22 ARG 56 -17.825 -11.023 1.757 279 H PHE 57 HN PHE 57 -11.530 -7.592 -0.202 280 HA PHE 57 HA PHE 57 -10.761 -5.011 -1.072 281 HB2 PHE 57 HB2 PHE 57 -11.925 -5.558 1.095 282 HB3 PHE 57 HB1 PHE 57 -10.402 -6.208 1.684 283 HD1 PHE 57 HD1 PHE 57 -8.356 -4.486 1.374 284 HD2 PHE 57 HD2 PHE 57 -12.465 -3.437 1.730 285 HE1 PHE 57 HE1 PHE 57 -7.712 -2.249 2.163 286 HE2 PHE 57 HE2 PHE 57 -11.828 -1.195 2.521 287 HZ PHE 57 HZ PHE 57 -9.447 -0.600 2.736 288 H ARG 58 HN ARG 58 -9.033 -7.746 0.307 289 HA ARG 58 HA ARG 58 -6.504 -6.708 0.618 290 HB2 ARG 58 HB2 ARG 58 -7.766 -9.241 0.591 291 HB3 ARG 58 HB1 ARG 58 -6.349 -9.370 -0.433 292 HG2 ARG 58 HG2 ARG 58 -5.695 -9.996 1.742 293 HG3 ARG 58 HG1 ARG 58 -5.033 -8.388 1.462 294 HD2 ARG 58 HD2 ARG 58 -6.573 -7.369 2.875 295 HD3 ARG 58 HD1 ARG 58 -7.688 -8.733 2.793 296 HE ARG 58 HE ARG 58 -5.158 -9.350 4.022 297 HH11 ARG 58 HH11 ARG 58 -8.398 -8.164 4.551 298 HH12 ARG 58 HH12 ARG 58 -8.413 -8.587 6.230 299 HH21 ARG 58 HH21 ARG 58 -5.176 -9.905 6.231 300 HH22 ARG 58 HH22 ARG 58 -6.583 -9.574 7.184 301 H ALA 59 HN ALA 59 -7.608 -8.591 -2.207 302 HA ALA 59 HA ALA 59 -5.391 -8.129 -3.818 303 HB1 ALA 59 HB1 ALA 59 -8.052 -8.358 -5.117 304 HB2 ALA 59 HB2 ALA 59 -7.510 -9.685 -4.090 305 HB3 ALA 59 HB3 ALA 59 -6.540 -9.191 -5.478 306 H ARG 60 HN ARG 60 -8.382 -6.256 -3.514 307 HA ARG 60 HA ARG 60 -8.018 -4.468 -5.605 308 HB2 ARG 60 HB2 ARG 60 -9.298 -4.076 -2.899 309 HB3 ARG 60 HB1 ARG 60 -9.374 -2.876 -4.182 310 HG2 ARG 60 HG2 ARG 60 -10.186 -5.542 -5.041 311 HG3 ARG 60 HG1 ARG 60 -11.189 -4.876 -3.751 312 HD2 ARG 60 HD2 ARG 60 -11.205 -2.735 -5.219 313 HD3 ARG 60 HD1 ARG 60 -10.709 -3.825 -6.513 314 HE ARG 60 HE ARG 60 -12.864 -4.537 -6.627 315 HH11 ARG 60 HH11 ARG 60 -12.321 -3.262 -3.424 316 HH12 ARG 60 HH12 ARG 60 -13.962 -3.486 -2.921 317 HH21 ARG 60 HH21 ARG 60 -15.024 -4.833 -5.966 318 HH22 ARG 60 HH22 ARG 60 -15.497 -4.379 -4.363 319 H VAL 61 HN VAL 61 -6.767 -4.357 -2.304 320 HA VAL 61 HA VAL 61 -5.510 -1.815 -2.573 321 HB VAL 61 HB VAL 61 -4.746 -3.986 -0.624 322 HG11 VAL 61 HG11 VAL 61 -4.397 -1.007 -0.707 323 HG12 VAL 61 HG12 VAL 61 -3.168 -2.256 -0.527 324 HG13 VAL 61 HG13 VAL 61 -4.281 -1.921 0.797 325 HG21 VAL 61 HG21 VAL 61 -7.244 -2.591 -0.878 326 HG22 VAL 61 HG22 VAL 61 -6.453 -2.163 0.639 327 HG23 VAL 61 HG23 VAL 61 -6.776 -3.854 0.259 328 H ASP 62 HN ASP 62 -4.282 -5.155 -2.623 329 HA ASP 62 HA ASP 62 -1.600 -4.558 -3.057 330 HB2 ASP 62 HB2 ASP 62 -2.422 -6.805 -2.458 331 HB3 ASP 62 HB1 ASP 62 -3.142 -6.962 -4.057 332 H ASP 63 HN ASP 63 -4.276 -4.812 -5.314 333 HA ASP 63 HA ASP 63 -2.710 -4.735 -7.680 334 HB2 ASP 63 HB2 ASP 63 -5.182 -5.438 -7.386 335 HB3 ASP 63 HB1 ASP 63 -5.538 -3.718 -7.497 336 H ALA 64 HN ALA 64 -4.495 -2.234 -5.885 337 HA ALA 64 HA ALA 64 -3.935 -0.073 -7.548 338 HB1 ALA 64 HB1 ALA 64 -4.141 1.277 -5.362 339 HB2 ALA 64 HB2 ALA 64 -4.488 -0.279 -4.606 340 HB3 ALA 64 HB3 ALA 64 -5.530 0.328 -5.894 341 H ILE 65 HN ILE 65 -2.180 -0.990 -4.559 342 HA ILE 65 HA ILE 65 -0.107 0.819 -4.709 343 HB ILE 65 HB ILE 65 -0.046 -2.048 -3.765 344 HG12 ILE 65 HG12 ILE 65 0.185 0.179 -1.856 345 HG13 ILE 65 HG11 ILE 65 -1.347 0.115 -2.714 346 HG21 ILE 65 HG21 ILE 65 2.021 -1.459 -2.561 347 HG22 ILE 65 HG22 ILE 65 2.031 0.107 -3.372 348 HG23 ILE 65 HG23 ILE 65 2.223 -1.373 -4.312 349 HD11 ILE 65 HD11 ILE 65 -0.125 -2.025 -0.998 350 HD12 ILE 65 HD12 ILE 65 -1.561 -2.260 -1.993 351 HD13 ILE 65 HD13 ILE 65 -1.582 -1.086 -0.678 352 H ARG 66 HN ARG 66 -0.115 -2.490 -5.999 353 HA ARG 66 HA ARG 66 2.332 -2.415 -7.307 354 HB2 ARG 66 HB2 ARG 66 0.907 -4.433 -6.909 355 HB3 ARG 66 HB1 ARG 66 -0.164 -3.882 -8.185 356 HG2 ARG 66 HG2 ARG 66 1.992 -3.893 -9.635 357 HG3 ARG 66 HG1 ARG 66 2.603 -4.962 -8.372 358 HD2 ARG 66 HD2 ARG 66 -0.085 -5.569 -9.444 359 HD3 ARG 66 HD1 ARG 66 1.279 -5.845 -10.528 360 HE ARG 66 HE ARG 66 1.988 -7.028 -8.156 361 HH11 ARG 66 HH11 ARG 66 -0.645 -7.356 -10.423 362 HH12 ARG 66 HH12 ARG 66 -0.894 -9.036 -10.083 363 HH21 ARG 66 HH21 ARG 66 1.663 -9.238 -7.708 364 HH22 ARG 66 HH22 ARG 66 0.416 -10.104 -8.542 365 H GLU 67 HN GLU 67 -0.800 -1.154 -8.258 366 HA GLU 67 HA GLU 67 -0.253 -0.746 -10.993 367 HB2 GLU 67 HB2 GLU 67 -2.406 -0.108 -10.963 368 HB3 GLU 67 HB1 GLU 67 -2.406 -0.349 -9.232 369 HG2 GLU 67 HG2 GLU 67 -2.207 1.896 -8.785 370 HG3 GLU 67 HG1 GLU 67 -1.494 2.251 -10.352 371 H GLY 68 HN GLY 68 -0.280 1.610 -8.314 372 HA2 GLY 68 HA2 GLY 68 1.057 3.634 -9.782 373 HA3 GLY 68 HA1 GLY 68 0.903 3.567 -8.030 374 H LEU 69 HN LEU 69 2.159 1.200 -7.479 375 HA LEU 69 HA LEU 69 4.850 1.898 -7.332 376 HB2 LEU 69 HB2 LEU 69 3.377 -0.705 -7.019 377 HB3 LEU 69 HB1 LEU 69 5.104 -0.675 -6.903 378 HG LEU 69 HG LEU 69 3.082 0.467 -5.025 379 HD11 LEU 69 HD11 LEU 69 5.703 -0.820 -4.367 380 HD12 LEU 69 HD12 LEU 69 4.313 -1.795 -4.843 381 HD13 LEU 69 HD13 LEU 69 4.218 -0.760 -3.418 382 HD21 LEU 69 HD21 LEU 69 5.204 1.569 -3.944 383 HD22 LEU 69 HD22 LEU 69 4.288 2.423 -5.184 384 HD23 LEU 69 HD23 LEU 69 5.786 1.597 -5.607 385 H LYS 70 HN LYS 70 3.072 0.014 -9.682 386 HA LYS 70 HA LYS 70 5.302 -0.977 -11.094 387 HB2 LYS 70 HB2 LYS 70 3.203 -2.071 -11.386 388 HB3 LYS 70 HB1 LYS 70 2.422 -0.575 -11.877 389 HG2 LYS 70 HG2 LYS 70 3.271 -0.665 -13.996 390 HG3 LYS 70 HG1 LYS 70 4.686 -1.601 -13.510 391 HD2 LYS 70 HD2 LYS 70 3.626 -3.569 -13.779 392 HD3 LYS 70 HD1 LYS 70 2.110 -2.956 -13.112 393 HE2 LYS 70 HE2 LYS 70 1.676 -1.794 -15.236 394 HE3 LYS 70 HE1 LYS 70 3.168 -2.469 -15.894 395 HZ1 LYS 70 HZ1 LYS 70 2.238 -4.488 -16.166 396 HZ2 LYS 70 HZ2 LYS 70 0.793 -3.610 -16.198 397 HZ3 LYS 70 HZ3 LYS 70 1.283 -4.378 -14.773 398 H ALA 71 HN ALA 71 3.598 2.031 -11.131 399 HA ALA 71 HA ALA 71 4.782 2.898 -13.629 400 HB1 ALA 71 HB1 ALA 71 2.573 3.712 -11.964 401 HB2 ALA 71 HB2 ALA 71 2.871 4.023 -13.674 402 HB3 ALA 71 HB3 ALA 71 3.558 5.092 -12.452 403 H LEU 72 HN LEU 72 5.901 2.748 -10.491 404 HA LEU 72 HA LEU 72 7.565 5.150 -10.879 405 HB2 LEU 72 HB2 LEU 72 7.191 3.854 -8.210 406 HB3 LEU 72 HB1 LEU 72 7.637 5.509 -8.589 407 HG LEU 72 HG LEU 72 4.970 4.713 -9.523 408 HD11 LEU 72 HD11 LEU 72 5.047 5.340 -6.643 409 HD12 LEU 72 HD12 LEU 72 5.531 3.709 -7.105 410 HD13 LEU 72 HD13 LEU 72 3.939 4.318 -7.556 411 HD21 LEU 72 HD21 LEU 72 4.394 6.918 -8.821 412 HD22 LEU 72 HD22 LEU 72 5.959 7.009 -9.627 413 HD23 LEU 72 HD23 LEU 72 5.870 7.061 -7.866 414 H GLY 73 HN GLY 73 7.961 2.229 -11.712 415 HA2 GLY 73 HA2 GLY 73 10.385 1.703 -12.118 416 HA3 GLY 73 HA1 GLY 73 10.590 1.904 -10.393 417 H TYR 74 HN TYR 74 7.771 0.448 -10.314 418 HA TYR 74 HA TYR 74 9.021 -2.199 -10.205 419 HB2 TYR 74 HB2 TYR 74 6.447 -1.198 -8.987 420 HB3 TYR 74 HB1 TYR 74 7.115 -2.806 -8.779 421 HD1 TYR 74 HD2 TYR 74 9.814 -2.582 -8.117 422 HD2 TYR 74 HD1 TYR 74 6.694 0.132 -7.125 423 HE1 TYR 74 HE2 TYR 74 11.122 -1.788 -6.192 424 HE2 TYR 74 HE1 TYR 74 7.989 0.930 -5.197 425 HH TYR 74 HH TYR 74 11.275 0.204 -4.764 426 H TYR 75 HN TYR 75 7.431 -4.052 -10.619 427 HA TYR 75 HA TYR 75 5.809 -3.465 -13.004 428 HB2 TYR 75 HB2 TYR 75 7.919 -5.534 -12.588 429 HB3 TYR 75 HB1 TYR 75 6.531 -5.946 -13.591 430 HD1 TYR 75 HD2 TYR 75 5.940 -4.207 -15.459 431 HD2 TYR 75 HD1 TYR 75 9.734 -4.485 -13.559 432 HE1 TYR 75 HE2 TYR 75 6.971 -3.053 -17.369 433 HE2 TYR 75 HE1 TYR 75 10.781 -3.331 -15.465 434 HH TYR 75 HH TYR 75 8.938 -1.778 -17.908 435 H GLN 76 HN GLN 76 6.357 -5.678 -10.280 436 HA GLN 76 HA GLN 76 3.534 -5.917 -9.864 437 HB2 GLN 76 HB2 GLN 76 3.742 -8.514 -9.984 438 HB3 GLN 76 HB1 GLN 76 3.435 -7.592 -11.448 439 HG2 GLN 76 HG2 GLN 76 5.921 -7.642 -11.857 440 HG3 GLN 76 HG1 GLN 76 6.027 -8.807 -10.537 441 HE21 GLN 76 HE21 GLN 76 4.784 -10.789 -10.760 442 HE22 GLN 76 HE22 GLN 76 4.532 -11.451 -12.335 443 HA PRO 77 HA PRO 77 6.639 -6.467 -6.251 444 HB2 PRO 77 HB2 PRO 77 4.870 -4.292 -5.248 445 HB3 PRO 77 HB1 PRO 77 6.617 -4.499 -5.065 446 HG2 PRO 77 HG2 PRO 77 5.635 -2.716 -6.764 447 HG3 PRO 77 HG1 PRO 77 7.062 -3.684 -7.179 448 HD2 PRO 77 HD2 PRO 77 4.235 -3.974 -8.110 449 HD3 PRO 77 HD1 PRO 77 5.749 -4.217 -9.004 450 H THR 78 HN THR 78 6.133 -7.942 -4.744 451 HA THR 78 HA THR 78 3.417 -8.809 -4.430 452 HB THR 78 HB THR 78 5.766 -9.583 -2.693 453 HG1 THR 78 HG1 THR 78 6.362 -11.024 -4.204 454 HG21 THR 78 HG21 THR 78 3.216 -10.344 -2.398 455 HG22 THR 78 HG22 THR 78 4.595 -11.372 -2.010 456 HG23 THR 78 HG23 THR 78 3.764 -11.558 -3.554 457 H ILE 79 HN ILE 79 2.093 -7.403 -3.427 458 HA ILE 79 HA ILE 79 3.039 -6.166 -0.935 459 HB ILE 79 HB ILE 79 0.786 -5.266 -2.733 460 HG12 ILE 79 HG12 ILE 79 3.045 -3.462 -2.428 461 HG13 ILE 79 HG11 ILE 79 3.544 -5.009 -3.100 462 HG21 ILE 79 HG21 ILE 79 1.541 -3.155 -1.123 463 HG22 ILE 79 HG22 ILE 79 1.582 -4.541 -0.033 464 HG23 ILE 79 HG23 ILE 79 0.106 -4.159 -0.919 465 HD11 ILE 79 HD11 ILE 79 2.923 -3.197 -4.746 466 HD12 ILE 79 HD12 ILE 79 1.253 -3.432 -4.223 467 HD13 ILE 79 HD13 ILE 79 2.138 -4.762 -4.967 468 H GLU 80 HN GLU 80 2.420 -7.302 0.762 469 HA GLU 80 HA GLU 80 -0.246 -8.531 0.794 470 HB2 GLU 80 HB2 GLU 80 2.278 -9.027 2.352 471 HB3 GLU 80 HB1 GLU 80 0.726 -9.592 2.954 472 HG2 GLU 80 HG2 GLU 80 1.927 -11.334 1.742 473 HG3 GLU 80 HG1 GLU 80 0.401 -10.924 0.961 474 H PHE 81 HN PHE 81 -1.232 -8.530 3.124 475 HA PHE 81 HA PHE 81 -0.733 -5.999 4.484 476 HB2 PHE 81 HB2 PHE 81 -3.544 -6.745 3.706 477 HB3 PHE 81 HB1 PHE 81 -2.960 -5.215 4.351 478 HD1 PHE 81 HD2 PHE 81 -1.381 -3.845 2.907 479 HD2 PHE 81 HD1 PHE 81 -3.710 -7.073 1.408 480 HE1 PHE 81 HE2 PHE 81 -1.117 -2.969 0.624 481 HE2 PHE 81 HE1 PHE 81 -3.451 -6.204 -0.878 482 HZ PHE 81 HZ PHE 81 -2.154 -4.148 -1.270 483 H ASP 82 HN ASP 82 -1.360 -5.904 6.610 484 HA ASP 82 HA ASP 82 -2.394 -8.401 7.782 485 HB2 ASP 82 HB2 ASP 82 0.069 -8.034 8.179 486 HB3 ASP 82 HB1 ASP 82 -0.355 -6.579 9.077 487 H LEU 83 HN LEU 83 -4.459 -7.802 8.154 488 HA LEU 83 HA LEU 83 -5.232 -5.212 9.016 489 HB2 LEU 83 HB2 LEU 83 -6.569 -6.965 7.717 490 HB3 LEU 83 HB1 LEU 83 -6.879 -7.706 9.273 491 HG LEU 83 HG LEU 83 -8.199 -5.908 10.003 492 HD11 LEU 83 HD11 LEU 83 -7.266 -3.892 9.606 493 HD12 LEU 83 HD12 LEU 83 -8.350 -3.902 8.216 494 HD13 LEU 83 HD13 LEU 83 -6.659 -4.362 8.018 495 HD21 LEU 83 HD21 LEU 83 -9.517 -5.438 7.672 496 HD22 LEU 83 HD22 LEU 83 -9.721 -6.875 8.675 497 HD23 LEU 83 HD23 LEU 83 -8.629 -6.914 7.290 498 H ARG 84 HN ARG 84 -6.096 -4.544 10.959 499 HA ARG 84 HA ARG 84 -5.789 -6.250 13.311 500 HB2 ARG 84 HB2 ARG 84 -4.465 -3.570 12.908 501 HB3 ARG 84 HB1 ARG 84 -4.777 -4.227 14.507 502 HG2 ARG 84 HG2 ARG 84 -2.642 -4.932 14.196 503 HG3 ARG 84 HG1 ARG 84 -3.517 -6.313 13.532 504 HD2 ARG 84 HD2 ARG 84 -2.949 -5.820 11.387 505 HD3 ARG 84 HD1 ARG 84 -2.854 -4.084 11.691 506 HE ARG 84 HE ARG 84 -0.623 -4.351 12.050 507 HH11 ARG 84 HH11 ARG 84 -2.177 -7.426 12.609 508 HH12 ARG 84 HH12 ARG 84 -0.692 -8.265 12.904 509 HH21 ARG 84 HH21 ARG 84 1.332 -5.454 12.439 510 HH22 ARG 84 HH22 ARG 84 1.300 -7.146 12.807 511 HA PRO 85 HA PRO 85 -9.939 -4.149 12.997 512 HB2 PRO 85 HB2 PRO 85 -10.252 -6.315 15.036 513 HB3 PRO 85 HB1 PRO 85 -11.374 -5.785 13.777 514 HG2 PRO 85 HG2 PRO 85 -9.927 -7.997 13.460 515 HG3 PRO 85 HG1 PRO 85 -10.232 -6.902 12.099 516 HD2 PRO 85 HD2 PRO 85 -7.742 -7.332 13.661 517 HD3 PRO 85 HD1 PRO 85 -7.945 -6.842 11.968 518 HA PRO 86 HA PRO 86 -9.365 -3.028 17.549 519 HB2 PRO 86 HB2 PRO 86 -7.850 -4.551 19.161 520 HB3 PRO 86 HB1 PRO 86 -9.446 -5.074 18.613 521 HG2 PRO 86 HG2 PRO 86 -6.806 -6.108 17.876 522 HG3 PRO 86 HG1 PRO 86 -8.400 -6.840 17.637 523 HD2 PRO 86 HD2 PRO 86 -6.773 -5.289 15.759 524 HD3 PRO 86 HD1 PRO 86 -8.199 -6.295 15.434 525 HA PRO 87 HA PRO 87 -4.999 -1.403 16.611 526 HB2 PRO 87 HB2 PRO 87 -5.719 1.087 15.804 527 HB3 PRO 87 HB1 PRO 87 -5.560 -0.276 14.692 528 HG2 PRO 87 HG2 PRO 87 -8.021 0.880 15.931 529 HG3 PRO 87 HG1 PRO 87 -7.755 0.338 14.266 530 HD2 PRO 87 HD2 PRO 87 -9.059 -1.170 16.097 531 HD3 PRO 87 HD1 PRO 87 -8.074 -1.878 14.807 532 H LYS 88 HN LYS 88 -4.029 0.630 17.570 533 HA LYS 88 HA LYS 88 -5.214 1.039 20.207 534 HB2 LYS 88 HB2 LYS 88 -3.116 1.252 21.032 535 HB3 LYS 88 HB1 LYS 88 -2.693 0.383 19.567 536 HG2 LYS 88 HG2 LYS 88 -2.599 3.379 19.886 537 HG3 LYS 88 HG1 LYS 88 -1.215 2.296 20.018 538 HD2 LYS 88 HD2 LYS 88 -2.387 1.615 17.595 539 HD3 LYS 88 HD1 LYS 88 -2.508 3.375 17.655 540 HE2 LYS 88 HE2 LYS 88 0.031 3.006 18.520 541 HE3 LYS 88 HE1 LYS 88 -0.142 1.639 17.421 542 HZ1 LYS 88 HZ1 LYS 88 -1.161 3.577 15.929 543 HZ2 LYS 88 HZ2 LYS 88 0.483 3.179 15.920 544 HZ3 LYS 88 HZ3 LYS 88 -0.065 4.487 16.842 545 H LYS 89 HN LYS 89 -4.487 2.789 17.283 546 HA LYS 89 HA LYS 89 -5.552 5.218 18.559 547 HB2 LYS 89 HB2 LYS 89 -3.039 5.236 18.140 548 HB3 LYS 89 HB1 LYS 89 -3.437 5.278 16.428 549 HG2 LYS 89 HG2 LYS 89 -3.301 7.499 16.729 550 HG3 LYS 89 HG1 LYS 89 -4.959 7.313 17.305 551 HD2 LYS 89 HD2 LYS 89 -4.214 7.239 19.590 552 HD3 LYS 89 HD1 LYS 89 -2.524 7.222 19.083 553 HE2 LYS 89 HE2 LYS 89 -3.391 9.465 17.850 554 HE3 LYS 89 HE1 LYS 89 -4.426 9.463 19.277 555 HZ1 LYS 89 HZ1 LYS 89 -2.141 8.980 20.450 556 HZ2 LYS 89 HZ2 LYS 89 -2.628 10.559 20.092 557 HZ3 LYS 89 HZ3 LYS 89 -1.524 9.767 19.085 558 H GLY 90 HN GLY 90 -6.974 3.238 16.957 559 HA2 GLY 90 HA2 GLY 90 -8.289 5.080 15.224 560 HA3 GLY 90 HA1 GLY 90 -7.311 3.944 14.316 561 H ARG 91 HN ARG 91 -9.255 3.195 13.325 562 HA ARG 91 HA ARG 91 -11.105 1.728 15.050 563 HB2 ARG 91 HB2 ARG 91 -11.202 2.707 12.223 564 HB3 ARG 91 HB1 ARG 91 -12.245 1.378 12.712 565 HG2 ARG 91 HG2 ARG 91 -12.162 4.051 14.090 566 HG3 ARG 91 HG1 ARG 91 -13.311 3.619 12.823 567 HD2 ARG 91 HD2 ARG 91 -13.100 1.724 15.070 568 HD3 ARG 91 HD1 ARG 91 -13.779 3.304 15.461 569 HE ARG 91 HE ARG 91 -15.078 1.220 14.073 570 HH11 ARG 91 HH11 ARG 91 -14.707 4.690 14.029 571 HH12 ARG 91 HH12 ARG 91 -16.252 4.971 13.300 572 HH21 ARG 91 HH21 ARG 91 -17.110 1.588 13.114 573 HH22 ARG 91 HH22 ARG 91 -17.617 3.210 12.781 574 H GLN 92 HN GLN 92 -9.147 1.218 12.128 575 HA GLN 92 HA GLN 92 -8.588 -1.505 12.984 576 HB2 GLN 92 HB2 GLN 92 -9.865 -0.862 10.317 577 HB3 GLN 92 HB1 GLN 92 -9.159 -2.417 10.734 578 HG2 GLN 92 HG2 GLN 92 -10.807 -2.369 12.721 579 HG3 GLN 92 HG1 GLN 92 -11.642 -1.130 11.784 580 HE21 GLN 92 HE21 GLN 92 -10.032 -4.197 11.000 581 HE22 GLN 92 HE22 GLN 92 -11.362 -4.868 10.124 582 H VAL 93 HN VAL 93 -6.472 -1.687 12.893 583 HA VAL 93 HA VAL 93 -4.904 0.022 11.164 584 HB VAL 93 HB VAL 93 -4.429 -1.606 13.568 585 HG11 VAL 93 HG11 VAL 93 -2.652 -2.748 12.932 586 HG12 VAL 93 HG12 VAL 93 -1.826 -1.223 12.629 587 HG13 VAL 93 HG13 VAL 93 -2.687 -2.031 11.325 588 HG21 VAL 93 HG21 VAL 93 -2.650 0.611 12.861 589 HG22 VAL 93 HG22 VAL 93 -3.545 0.295 14.347 590 HG23 VAL 93 HG23 VAL 93 -4.364 1.017 12.961 591 H LEU 94 HN LEU 94 -4.371 -0.547 9.156 592 HA LEU 94 HA LEU 94 -4.019 -3.410 8.573 593 HB2 LEU 94 HB2 LEU 94 -6.105 -2.274 7.611 594 HB3 LEU 94 HB1 LEU 94 -5.009 -1.404 6.564 595 HG LEU 94 HG LEU 94 -6.165 -3.958 6.165 596 HD11 LEU 94 HD11 LEU 94 -5.081 -3.787 3.985 597 HD12 LEU 94 HD12 LEU 94 -4.087 -2.458 4.584 598 HD13 LEU 94 HD13 LEU 94 -5.836 -2.265 4.459 599 HD21 LEU 94 HD21 LEU 94 -4.274 -5.377 5.735 600 HD22 LEU 94 HD22 LEU 94 -4.234 -4.863 7.418 601 HD23 LEU 94 HD23 LEU 94 -3.157 -4.111 6.244 602 H ILE 95 HN ILE 95 -1.927 -3.751 8.314 603 HA ILE 95 HA ILE 95 -0.158 -1.677 7.342 604 HB ILE 95 HB ILE 95 0.499 -4.535 8.060 605 HG12 ILE 95 HG12 ILE 95 0.660 -2.030 9.752 606 HG13 ILE 95 HG11 ILE 95 -0.519 -3.323 9.949 607 HG21 ILE 95 HG21 ILE 95 2.760 -3.246 8.532 608 HG22 ILE 95 HG22 ILE 95 2.113 -2.161 7.301 609 HG23 ILE 95 HG23 ILE 95 2.362 -3.867 6.930 610 HD11 ILE 95 HD11 ILE 95 2.449 -3.477 10.384 611 HD12 ILE 95 HD12 ILE 95 1.376 -4.877 10.393 612 HD13 ILE 95 HD13 ILE 95 1.172 -3.601 11.594 613 H ALA 96 HN ALA 96 1.248 -1.909 5.531 614 HA ALA 96 HA ALA 96 0.474 -3.938 3.558 615 HB1 ALA 96 HB1 ALA 96 -0.799 -1.941 3.003 616 HB2 ALA 96 HB2 ALA 96 0.429 -2.256 1.776 617 HB3 ALA 96 HB3 ALA 96 0.684 -0.986 2.973 618 H LYS 97 HN LYS 97 2.304 -5.067 3.389 619 HA LYS 97 HA LYS 97 4.851 -3.615 3.154 620 HB2 LYS 97 HB2 LYS 97 4.547 -6.579 3.597 621 HB3 LYS 97 HB1 LYS 97 5.961 -5.577 3.888 622 HG2 LYS 97 HG2 LYS 97 5.281 -5.718 6.023 623 HG3 LYS 97 HG1 LYS 97 4.209 -4.398 5.551 624 HD2 LYS 97 HD2 LYS 97 2.680 -5.810 6.493 625 HD3 LYS 97 HD1 LYS 97 2.645 -6.408 4.833 626 HE2 LYS 97 HE2 LYS 97 4.452 -7.559 6.945 627 HE3 LYS 97 HE1 LYS 97 2.818 -8.157 6.659 628 HZ1 LYS 97 HZ1 LYS 97 3.484 -8.560 4.325 629 HZ2 LYS 97 HZ2 LYS 97 4.349 -9.495 5.438 630 HZ3 LYS 97 HZ3 LYS 97 5.073 -8.141 4.729 631 H VAL 98 HN VAL 98 5.857 -3.532 1.253 632 HA VAL 98 HA VAL 98 4.900 -5.296 -0.901 633 HB VAL 98 HB VAL 98 4.529 -2.894 -1.284 634 HG11 VAL 98 HG11 VAL 98 7.083 -1.944 -1.916 635 HG12 VAL 98 HG12 VAL 98 7.237 -2.712 -0.336 636 HG13 VAL 98 HG13 VAL 98 6.047 -1.434 -0.583 637 HG21 VAL 98 HG21 VAL 98 4.891 -3.130 -3.484 638 HG22 VAL 98 HG22 VAL 98 5.496 -4.728 -3.054 639 HG23 VAL 98 HG23 VAL 98 6.622 -3.389 -3.272 640 H THR 99 HN THR 99 6.390 -6.250 -2.327 641 HA THR 99 HA THR 99 9.223 -5.950 -1.908 642 HB THR 99 HB THR 99 7.902 -8.595 -1.271 643 HG1 THR 99 HG1 THR 99 7.738 -7.615 0.592 644 HG21 THR 99 HG21 THR 99 10.807 -7.823 -1.167 645 HG22 THR 99 HG22 THR 99 10.065 -8.932 -2.320 646 HG23 THR 99 HG23 THR 99 10.118 -9.346 -0.606 647 HA PRO 100 HA PRO 100 8.279 -7.290 -6.156 648 HB2 PRO 100 HB2 PRO 100 9.659 -5.221 -7.341 649 HB3 PRO 100 HB1 PRO 100 7.948 -5.200 -6.933 650 HG2 PRO 100 HG2 PRO 100 10.076 -3.672 -5.764 651 HG3 PRO 100 HG1 PRO 100 8.350 -3.595 -5.397 652 HD2 PRO 100 HD2 PRO 100 10.516 -4.955 -3.945 653 HD3 PRO 100 HD1 PRO 100 8.898 -4.488 -3.381 654 H GLY 101 HN GLY 101 11.338 -5.506 -6.129 655 HA2 GLY 101 HA2 GLY 101 13.280 -7.280 -5.718 656 HA3 GLY 101 HA1 GLY 101 12.677 -7.819 -7.279 657 H VAL 102 HN VAL 102 12.306 -5.749 -8.796 658 HA VAL 102 HA VAL 102 14.846 -4.254 -8.721 659 HB VAL 102 HB VAL 102 14.508 -5.934 -10.609 660 HG11 VAL 102 HG11 VAL 102 12.147 -5.399 -11.057 661 HG12 VAL 102 HG12 VAL 102 13.151 -5.239 -12.497 662 HG13 VAL 102 HG13 VAL 102 12.630 -3.798 -11.621 663 HG21 VAL 102 HG21 VAL 102 15.001 -3.063 -11.388 664 HG22 VAL 102 HG22 VAL 102 15.574 -4.498 -12.237 665 HG23 VAL 102 HG23 VAL 102 16.184 -4.125 -10.625 666 H LEU 103 HN LEU 103 14.829 -2.102 -9.639 667 HA LEU 103 HA LEU 103 12.206 -0.835 -9.851 668 HB2 LEU 103 HB2 LEU 103 12.898 -0.562 -7.513 669 HB3 LEU 103 HB1 LEU 103 14.398 0.176 -8.042 670 HG LEU 103 HG LEU 103 12.716 1.843 -9.259 671 HD11 LEU 103 HD11 LEU 103 10.705 2.214 -8.105 672 HD12 LEU 103 HD12 LEU 103 11.169 1.141 -6.784 673 HD13 LEU 103 HD13 LEU 103 10.774 0.471 -8.367 674 HD21 LEU 103 HD21 LEU 103 14.488 2.156 -7.376 675 HD22 LEU 103 HD22 LEU 103 13.076 2.228 -6.321 676 HD23 LEU 103 HD23 LEU 103 13.253 3.387 -7.639 677 H GLU 104 HN GLU 104 12.117 0.474 -11.554 678 HA GLU 104 HA GLU 104 14.528 1.034 -13.045 679 HB2 GLU 104 HB2 GLU 104 11.680 1.864 -13.628 680 HB3 GLU 104 HB1 GLU 104 13.033 1.927 -14.749 681 HG2 GLU 104 HG2 GLU 104 13.208 -0.596 -14.401 682 HG3 GLU 104 HG1 GLU 104 11.607 -0.477 -13.672 683 H HIS 105 HN HIS 105 15.771 2.676 -12.431 684 HA HIS 105 HA HIS 105 14.569 5.308 -12.112 685 HB2 HIS 105 HB2 HIS 105 14.902 4.024 -9.833 686 HB3 HIS 105 HB1 HIS 105 16.582 4.506 -10.050 687 HD1 HIS 105 HD1 HIS 105 13.137 6.020 -9.678 688 HD2 HIS 105 HD2 HIS 105 17.137 7.107 -9.384 689 HE1 HIS 105 HE1 HIS 105 13.133 8.344 -8.716 690 HE2 HIS 105 HE2 HIS 105 15.560 9.013 -8.628 691 H HIS 106 HN HIS 106 16.139 7.048 -12.228 692 HA HIS 106 HA HIS 106 18.826 6.359 -13.090 693 HB2 HIS 106 HB2 HIS 106 18.619 7.673 -15.188 694 HB3 HIS 106 HB1 HIS 106 17.618 6.225 -15.186 695 HD1 HIS 106 HD1 HIS 106 15.684 6.890 -16.609 696 HD2 HIS 106 HD2 HIS 106 16.591 9.764 -13.748 697 HE1 HIS 106 HE1 HIS 106 13.852 8.604 -16.774 698 HE2 HIS 106 HE2 HIS 106 14.469 10.377 -15.094 699 H HIS 107 HN HIS 107 20.131 8.373 -13.517 700 HA HIS 107 HA HIS 107 20.989 10.340 -12.767 701 HB2 HIS 107 HB2 HIS 107 18.082 10.890 -13.030 702 HB3 HIS 107 HB1 HIS 107 19.029 12.053 -12.109 703 HD1 HIS 107 HD1 HIS 107 18.391 10.849 -15.557 704 HD2 HIS 107 HD2 HIS 107 20.977 13.462 -13.621 705 HE1 HIS 107 HE1 HIS 107 19.449 12.220 -17.379 706 HE2 HIS 107 HE2 HIS 107 21.074 13.735 -16.191 707 H HIS 108 HN HIS 108 21.853 9.300 -10.906 708 HA HIS 108 HA HIS 108 20.401 9.122 -8.462 709 HB2 HIS 108 HB2 HIS 108 22.677 7.975 -9.361 710 HB3 HIS 108 HB1 HIS 108 23.358 9.245 -8.349 711 HD1 HIS 108 HD1 HIS 108 22.894 9.097 -5.791 712 HD2 HIS 108 HD2 HIS 108 21.443 5.888 -7.996 713 HE1 HIS 108 HE1 HIS 108 22.332 7.321 -4.102 714 HE2 HIS 108 HE2 HIS 108 21.375 5.421 -5.453 715 H HIS 109 HN HIS 109 19.544 11.210 -8.136 716 HA HIS 109 HA HIS 109 21.417 13.402 -7.704 717 HB2 HIS 109 HB2 HIS 109 19.000 13.438 -8.843 718 HB3 HIS 109 HB1 HIS 109 18.506 13.726 -7.178 719 HD1 HIS 109 HD1 HIS 109 19.759 15.426 -10.130 720 HD2 HIS 109 HD2 HIS 109 19.811 16.097 -6.029 721 HE1 HIS 109 HE1 HIS 109 20.321 17.861 -9.854 722 HE2 HIS 109 HE2 HIS 109 20.260 18.264 -7.368 723 H HIS 110 HN HIS 110 21.462 14.615 -5.744 724 HA HIS 110 HA HIS 110 21.044 12.933 -3.395 725 HB2 HIS 110 HB2 HIS 110 23.215 14.272 -3.999 726 HB3 HIS 110 HB1 HIS 110 22.344 15.632 -3.298 727 HD1 HIS 110 HD1 HIS 110 23.154 15.977 -0.996 728 HD2 HIS 110 HD2 HIS 110 22.847 11.939 -1.927 729 HE1 HIS 110 HE1 HIS 110 23.795 14.753 1.105 730 HE2 HIS 110 HE2 HIS 110 23.683 12.311 0.492 Start of MODEL 4 1 H1 ALA 22 HT1 ALA 22 -13.238 4.423 7.387 2 H2 ALA 22 HT2 ALA 22 -14.743 3.607 7.511 3 H3 ALA 22 HT3 ALA 22 -13.328 2.910 8.187 4 HA ALA 22 HA ALA 22 -14.305 5.530 9.039 5 HB1 ALA 22 HB1 ALA 22 -15.292 4.098 10.985 6 HB2 ALA 22 HB2 ALA 22 -15.346 2.829 9.761 7 HB3 ALA 22 HB3 ALA 22 -16.219 4.339 9.504 8 H ASN 23 HN ASN 23 -12.319 6.247 9.649 9 HA ASN 23 HA ASN 23 -10.417 6.464 10.877 10 HB2 ASN 23 HB2 ASN 23 -12.263 4.945 12.628 11 HB3 ASN 23 HB1 ASN 23 -10.564 4.922 13.089 12 HD21 ASN 23 HD21 ASN 23 -12.633 7.415 11.650 13 HD22 ASN 23 HD22 ASN 23 -12.336 8.606 12.867 14 H VAL 24 HN VAL 24 -9.279 5.372 9.136 15 HA VAL 24 HA VAL 24 -7.924 2.988 10.116 16 HB VAL 24 HB VAL 24 -8.131 1.799 7.982 17 HG11 VAL 24 HG11 VAL 24 -10.948 2.364 8.769 18 HG12 VAL 24 HG12 VAL 24 -9.844 1.689 9.968 19 HG13 VAL 24 HG13 VAL 24 -10.149 0.822 8.463 20 HG21 VAL 24 HG21 VAL 24 -8.472 3.584 6.438 21 HG22 VAL 24 HG22 VAL 24 -9.954 4.083 7.253 22 HG23 VAL 24 HG23 VAL 24 -9.902 2.554 6.376 23 H ARG 25 HN ARG 25 -5.892 2.615 9.172 24 HA ARG 25 HA ARG 25 -4.882 4.552 7.256 25 HB2 ARG 25 HB2 ARG 25 -2.900 4.996 8.791 26 HB3 ARG 25 HB1 ARG 25 -4.413 5.783 9.210 27 HG2 ARG 25 HG2 ARG 25 -4.647 3.525 10.652 28 HG3 ARG 25 HG1 ARG 25 -2.892 3.708 10.639 29 HD2 ARG 25 HD2 ARG 25 -3.483 6.200 11.245 30 HD3 ARG 25 HD1 ARG 25 -4.983 5.471 11.820 31 HE ARG 25 HE ARG 25 -2.800 4.028 12.845 32 HH11 ARG 25 HH11 ARG 25 -4.365 7.129 13.183 33 HH12 ARG 25 HH12 ARG 25 -3.876 7.335 14.832 34 HH21 ARG 25 HH21 ARG 25 -2.157 4.298 15.013 35 HH22 ARG 25 HH22 ARG 25 -2.622 5.729 15.870 36 H LEU 26 HN LEU 26 -3.546 3.585 5.865 37 HA LEU 26 HA LEU 26 -2.787 0.841 6.298 38 HB2 LEU 26 HB2 LEU 26 -3.007 2.652 4.049 39 HB3 LEU 26 HB1 LEU 26 -1.503 1.765 3.993 40 HG LEU 26 HG LEU 26 -3.006 0.495 2.725 41 HD11 LEU 26 HD11 LEU 26 -2.706 -1.519 3.680 42 HD12 LEU 26 HD12 LEU 26 -3.475 -1.036 5.192 43 HD13 LEU 26 HD13 LEU 26 -1.797 -0.595 4.877 44 HD21 LEU 26 HD21 LEU 26 -5.054 0.276 4.856 45 HD22 LEU 26 HD22 LEU 26 -5.231 0.249 3.101 46 HD23 LEU 26 HD23 LEU 26 -4.965 1.778 3.937 47 H GLN 27 HN GLN 27 -0.978 0.200 7.260 48 HA GLN 27 HA GLN 27 1.085 2.064 7.948 49 HB2 GLN 27 HB2 GLN 27 0.851 -0.925 8.291 50 HB3 GLN 27 HB1 GLN 27 2.233 0.002 8.855 51 HG2 GLN 27 HG2 GLN 27 -0.128 1.260 9.806 52 HG3 GLN 27 HG1 GLN 27 -0.234 -0.465 10.157 53 HE21 GLN 27 HE21 GLN 27 1.360 -1.422 11.467 54 HE22 GLN 27 HE22 GLN 27 2.332 -0.476 12.537 55 H VAL 28 HN VAL 28 2.891 2.530 6.889 56 HA VAL 28 HA VAL 28 3.397 1.291 4.325 57 HB VAL 28 HB VAL 28 4.972 3.465 5.712 58 HG11 VAL 28 HG11 VAL 28 6.171 3.734 3.814 59 HG12 VAL 28 HG12 VAL 28 4.828 3.272 2.768 60 HG13 VAL 28 HG13 VAL 28 5.772 2.031 3.592 61 HG21 VAL 28 HG21 VAL 28 2.871 4.419 5.519 62 HG22 VAL 28 HG22 VAL 28 2.503 3.556 4.026 63 HG23 VAL 28 HG23 VAL 28 3.645 4.900 4.009 64 H GLU 29 HN GLU 29 4.533 -0.538 4.201 65 HA GLU 29 HA GLU 29 6.963 -0.772 5.837 66 HB2 GLU 29 HB2 GLU 29 4.661 -2.631 5.698 67 HB3 GLU 29 HB1 GLU 29 6.257 -3.366 5.671 68 HG2 GLU 29 HG2 GLU 29 6.726 -1.893 7.730 69 HG3 GLU 29 HG1 GLU 29 4.973 -1.731 7.818 70 H GLY 30 HN GLY 30 8.697 -1.092 4.639 71 HA2 GLY 30 HA2 GLY 30 10.045 -2.081 3.027 72 HA3 GLY 30 HA1 GLY 30 8.624 -2.830 2.316 73 H LEU 31 HN LEU 31 9.106 0.578 2.992 74 HA LEU 31 HA LEU 31 9.431 1.137 0.139 75 HB2 LEU 31 HB2 LEU 31 7.438 2.608 1.850 76 HB3 LEU 31 HB1 LEU 31 7.718 2.803 0.134 77 HG LEU 31 HG LEU 31 6.742 0.208 1.293 78 HD11 LEU 31 HD11 LEU 31 5.272 2.713 0.771 79 HD12 LEU 31 HD12 LEU 31 4.925 1.402 1.898 80 HD13 LEU 31 HD13 LEU 31 4.532 1.221 0.190 81 HD21 LEU 31 HD21 LEU 31 6.898 1.415 -1.448 82 HD22 LEU 31 HD22 LEU 31 5.822 0.066 -1.082 83 HD23 LEU 31 HD23 LEU 31 7.564 -0.113 -0.875 84 H SER 32 HN SER 32 10.273 3.273 -0.291 85 HA SER 32 HA SER 32 11.117 4.979 1.837 86 HB2 SER 32 HB2 SER 32 13.014 2.986 0.682 87 HB3 SER 32 HB1 SER 32 13.627 4.597 1.059 88 HG SER 32 HG SER 32 13.881 3.491 2.913 89 H GLY 33 HN GLY 33 12.941 6.539 0.849 90 HA2 GLY 33 HA2 GLY 33 13.176 8.318 -0.598 91 HA3 GLY 33 HA1 GLY 33 13.244 7.057 -1.819 92 H GLN 34 HN GLN 34 11.730 7.063 -3.344 93 HA GLN 34 HA GLN 34 9.486 8.914 -3.060 94 HB2 GLN 34 HB2 GLN 34 10.822 7.590 -5.400 95 HB3 GLN 34 HB1 GLN 34 9.211 8.275 -5.566 96 HG2 GLN 34 HG2 GLN 34 10.365 10.381 -4.487 97 HG3 GLN 34 HG1 GLN 34 11.818 9.630 -5.145 98 HE21 GLN 34 HE21 GLN 34 10.268 12.100 -5.844 99 HE22 GLN 34 HE22 GLN 34 9.988 11.971 -7.544 100 H LEU 35 HN LEU 35 10.195 5.545 -3.117 101 HA LEU 35 HA LEU 35 7.799 4.457 -4.020 102 HB2 LEU 35 HB2 LEU 35 9.876 3.498 -2.104 103 HB3 LEU 35 HB1 LEU 35 8.453 2.539 -2.430 104 HG LEU 35 HG LEU 35 10.643 2.112 -3.761 105 HD11 LEU 35 HD11 LEU 35 9.390 1.328 -5.653 106 HD12 LEU 35 HD12 LEU 35 8.044 2.383 -5.229 107 HD13 LEU 35 HD13 LEU 35 8.471 1.035 -4.173 108 HD21 LEU 35 HD21 LEU 35 10.738 3.347 -5.870 109 HD22 LEU 35 HD22 LEU 35 11.052 4.378 -4.474 110 HD23 LEU 35 HD23 LEU 35 9.477 4.429 -5.273 111 H GLU 36 HN GLU 36 8.806 4.996 -0.645 112 HA GLU 36 HA GLU 36 6.413 4.315 0.573 113 HB2 GLU 36 HB2 GLU 36 7.279 5.300 2.521 114 HB3 GLU 36 HB1 GLU 36 8.694 4.784 1.624 115 HG2 GLU 36 HG2 GLU 36 9.061 7.050 0.848 116 HG3 GLU 36 HG1 GLU 36 7.604 7.588 1.683 117 H LYS 37 HN LYS 37 7.387 7.300 -0.972 118 HA LYS 37 HA LYS 37 5.212 8.873 0.003 119 HB2 LYS 37 HB2 LYS 37 6.584 9.499 -2.582 120 HB3 LYS 37 HB1 LYS 37 6.024 10.593 -1.325 121 HG2 LYS 37 HG2 LYS 37 7.871 9.647 0.127 122 HG3 LYS 37 HG1 LYS 37 8.493 8.892 -1.341 123 HD2 LYS 37 HD2 LYS 37 9.616 11.010 -0.938 124 HD3 LYS 37 HD1 LYS 37 8.635 11.104 -2.402 125 HE2 LYS 37 HE2 LYS 37 7.015 12.433 -1.375 126 HE3 LYS 37 HE1 LYS 37 7.545 11.986 0.246 127 HZ1 LYS 37 HZ1 LYS 37 8.582 14.021 -1.549 128 HZ2 LYS 37 HZ2 LYS 37 9.743 13.153 -0.678 129 HZ3 LYS 37 HZ3 LYS 37 8.526 13.994 0.142 130 H ASN 38 HN ASN 38 5.876 7.236 -3.086 131 HA ASN 38 HA ASN 38 3.483 7.911 -4.371 132 HB2 ASN 38 HB2 ASN 38 5.739 6.349 -4.956 133 HB3 ASN 38 HB1 ASN 38 4.373 5.243 -5.079 134 HD21 ASN 38 HD21 ASN 38 3.513 5.122 -7.010 135 HD22 ASN 38 HD22 ASN 38 3.488 6.373 -8.201 136 H VAL 39 HN VAL 39 4.332 5.095 -2.394 137 HA VAL 39 HA VAL 39 1.886 3.745 -2.575 138 HB VAL 39 HB VAL 39 3.695 3.757 -0.159 139 HG11 VAL 39 HG11 VAL 39 2.335 1.311 -1.095 140 HG12 VAL 39 HG12 VAL 39 1.300 2.568 -0.417 141 HG13 VAL 39 HG13 VAL 39 2.619 1.898 0.544 142 HG21 VAL 39 HG21 VAL 39 5.306 2.768 -1.329 143 HG22 VAL 39 HG22 VAL 39 4.387 3.080 -2.801 144 HG23 VAL 39 HG23 VAL 39 4.175 1.558 -1.936 145 H ARG 40 HN ARG 40 2.989 6.340 -0.464 146 HA ARG 40 HA ARG 40 0.888 6.345 1.381 147 HB2 ARG 40 HB2 ARG 40 3.120 7.785 1.177 148 HB3 ARG 40 HB1 ARG 40 2.015 8.950 0.461 149 HG2 ARG 40 HG2 ARG 40 0.703 9.044 2.445 150 HG3 ARG 40 HG1 ARG 40 1.574 7.682 3.152 151 HD2 ARG 40 HD2 ARG 40 3.594 8.984 3.294 152 HD3 ARG 40 HD1 ARG 40 2.837 10.323 2.433 153 HE ARG 40 HE ARG 40 2.637 9.750 5.214 154 HH11 ARG 40 HH11 ARG 40 0.869 11.068 2.509 155 HH12 ARG 40 HH12 ARG 40 -0.138 12.073 3.496 156 HH21 ARG 40 HH21 ARG 40 1.313 11.071 6.514 157 HH22 ARG 40 HH22 ARG 40 0.114 12.075 5.769 158 H ALA 41 HN ALA 41 1.225 8.005 -1.742 159 HA ALA 41 HA ALA 41 -1.217 9.376 -1.720 160 HB1 ALA 41 HB1 ALA 41 -0.364 8.312 -4.330 161 HB2 ALA 41 HB2 ALA 41 0.861 9.232 -3.456 162 HB3 ALA 41 HB3 ALA 41 -0.695 9.971 -3.834 163 H GLN 42 HN GLN 42 -0.361 6.114 -2.762 164 HA GLN 42 HA GLN 42 -2.946 5.408 -3.703 165 HB2 GLN 42 HB2 GLN 42 -0.513 3.828 -2.901 166 HB3 GLN 42 HB1 GLN 42 -2.016 3.024 -3.332 167 HG2 GLN 42 HG2 GLN 42 -1.063 3.022 -5.373 168 HG3 GLN 42 HG1 GLN 42 -1.787 4.628 -5.447 169 HE21 GLN 42 HE21 GLN 42 1.186 2.951 -4.517 170 HE22 GLN 42 HE22 GLN 42 2.258 4.220 -4.991 171 H LEU 43 HN LEU 43 -1.325 5.282 -0.599 172 HA LEU 43 HA LEU 43 -3.105 3.616 0.788 173 HB2 LEU 43 HB2 LEU 43 -1.355 5.880 1.718 174 HB3 LEU 43 HB1 LEU 43 -2.297 4.897 2.818 175 HG LEU 43 HG LEU 43 0.201 4.250 1.367 176 HD11 LEU 43 HD11 LEU 43 0.472 4.563 3.644 177 HD12 LEU 43 HD12 LEU 43 0.364 2.808 3.496 178 HD13 LEU 43 HD13 LEU 43 -1.036 3.737 4.034 179 HD21 LEU 43 HD21 LEU 43 -1.956 2.203 1.876 180 HD22 LEU 43 HD22 LEU 43 -0.264 1.813 1.565 181 HD23 LEU 43 HD23 LEU 43 -1.224 2.621 0.326 182 H SER 44 HN SER 44 -3.244 7.003 -0.058 183 HA SER 44 HA SER 44 -5.529 7.535 1.623 184 HB2 SER 44 HB2 SER 44 -3.723 9.225 0.970 185 HB3 SER 44 HB1 SER 44 -4.514 9.297 -0.605 186 HG SER 44 HG SER 44 -5.804 9.790 1.875 187 H THR 45 HN THR 45 -4.925 6.754 -1.751 188 HA THR 45 HA THR 45 -7.633 7.326 -2.547 189 HB THR 45 HB THR 45 -5.512 7.462 -4.006 190 HG1 THR 45 HG1 THR 45 -6.799 7.363 -5.713 191 HG21 THR 45 HG21 THR 45 -4.805 5.601 -5.207 192 HG22 THR 45 HG22 THR 45 -6.168 4.619 -4.668 193 HG23 THR 45 HG23 THR 45 -4.883 5.039 -3.539 194 H ILE 46 HN ILE 46 -6.170 4.717 -0.970 195 HA ILE 46 HA ILE 46 -7.322 2.452 -2.027 196 HB ILE 46 HB ILE 46 -7.110 3.001 0.933 197 HG12 ILE 46 HG12 ILE 46 -5.044 2.111 -1.082 198 HG13 ILE 46 HG11 ILE 46 -4.973 3.497 -0.000 199 HG21 ILE 46 HG21 ILE 46 -7.219 0.470 -0.695 200 HG22 ILE 46 HG22 ILE 46 -8.349 1.008 0.546 201 HG23 ILE 46 HG23 ILE 46 -6.719 0.514 0.995 202 HD11 ILE 46 HD11 ILE 46 -4.998 0.657 0.961 203 HD12 ILE 46 HD12 ILE 46 -4.636 2.113 1.887 204 HD13 ILE 46 HD13 ILE 46 -3.525 1.568 0.630 205 H GLU 47 HN GLU 47 -9.185 1.187 -1.264 206 HA GLU 47 HA GLU 47 -11.580 2.719 -1.383 207 HB2 GLU 47 HB2 GLU 47 -11.328 -0.206 -0.690 208 HB3 GLU 47 HB1 GLU 47 -12.733 0.616 -1.354 209 HG2 GLU 47 HG2 GLU 47 -10.322 0.863 -2.988 210 HG3 GLU 47 HG1 GLU 47 -10.904 -0.790 -2.793 211 H SER 48 HN SER 48 -9.572 2.309 1.171 212 HA SER 48 HA SER 48 -11.277 1.576 3.280 213 HB2 SER 48 HB2 SER 48 -9.423 3.158 4.500 214 HB3 SER 48 HB1 SER 48 -9.165 1.466 4.076 215 HG SER 48 HG SER 48 -7.747 3.463 3.265 216 H ASP 49 HN ASP 49 -11.926 4.032 1.351 217 HA ASP 49 HA ASP 49 -12.308 6.199 3.168 218 HB2 ASP 49 HB2 ASP 49 -11.999 6.478 0.706 219 HB3 ASP 49 HB1 ASP 49 -13.591 5.765 0.465 220 H GLU 50 HN GLU 50 -13.487 3.726 4.082 221 HA GLU 50 HA GLU 50 -15.306 3.289 5.406 222 HB2 GLU 50 HB2 GLU 50 -15.877 5.884 4.779 223 HB3 GLU 50 HB1 GLU 50 -17.233 5.045 4.038 224 HG2 GLU 50 HG2 GLU 50 -17.909 4.120 6.100 225 HG3 GLU 50 HG1 GLU 50 -16.402 4.590 6.884 226 H VAL 51 HN VAL 51 -14.883 1.410 3.975 227 HA VAL 51 HA VAL 51 -17.308 0.800 2.446 228 HB VAL 51 HB VAL 51 -16.114 -0.238 0.663 229 HG11 VAL 51 HG11 VAL 51 -14.861 1.646 -0.287 230 HG12 VAL 51 HG12 VAL 51 -14.842 2.422 1.297 231 HG13 VAL 51 HG13 VAL 51 -16.373 2.169 0.457 232 HG21 VAL 51 HG21 VAL 51 -13.537 -0.021 0.670 233 HG22 VAL 51 HG22 VAL 51 -14.284 -1.312 1.611 234 HG23 VAL 51 HG23 VAL 51 -13.717 0.151 2.416 235 H THR 52 HN THR 52 -16.690 -1.788 1.706 236 HA THR 52 HA THR 52 -16.477 -3.114 4.326 237 HB THR 52 HB THR 52 -18.647 -3.417 3.264 238 HG1 THR 52 HG1 THR 52 -18.572 -5.355 4.017 239 HG21 THR 52 HG21 THR 52 -17.214 -3.562 0.865 240 HG22 THR 52 HG22 THR 52 -18.955 -3.713 1.100 241 HG23 THR 52 HG23 THR 52 -17.935 -5.152 1.110 242 HA PRO 53 HA PRO 53 -12.479 -4.314 2.445 243 HB2 PRO 53 HB2 PRO 53 -12.306 -5.584 5.132 244 HB3 PRO 53 HB1 PRO 53 -11.116 -4.599 4.273 245 HG2 PRO 53 HG2 PRO 53 -12.510 -3.581 6.299 246 HG3 PRO 53 HG1 PRO 53 -12.144 -2.606 4.864 247 HD2 PRO 53 HD2 PRO 53 -14.704 -3.919 5.663 248 HD3 PRO 53 HD1 PRO 53 -14.437 -2.363 4.850 249 H ASP 54 HN ASP 54 -12.597 -5.943 1.054 250 HA ASP 54 HA ASP 54 -13.058 -8.634 2.038 251 HB2 ASP 54 HB2 ASP 54 -14.867 -7.195 0.165 252 HB3 ASP 54 HB1 ASP 54 -14.509 -8.881 -0.199 253 H ARG 55 HN ARG 55 -12.917 -10.144 -0.097 254 HA ARG 55 HA ARG 55 -10.296 -10.222 -0.866 255 HB2 ARG 55 HB2 ARG 55 -10.959 -11.710 -2.664 256 HB3 ARG 55 HB1 ARG 55 -11.913 -12.049 -1.228 257 HG2 ARG 55 HG2 ARG 55 -13.736 -11.872 -2.468 258 HG3 ARG 55 HG1 ARG 55 -13.380 -10.155 -2.671 259 HD2 ARG 55 HD2 ARG 55 -13.498 -10.827 -4.861 260 HD3 ARG 55 HD1 ARG 55 -11.775 -11.031 -4.550 261 HE ARG 55 HE ARG 55 -13.328 -13.393 -4.034 262 HH11 ARG 55 HH11 ARG 55 -11.635 -11.561 -6.475 263 HH12 ARG 55 HH12 ARG 55 -11.373 -12.933 -7.500 264 HH21 ARG 55 HH21 ARG 55 -12.984 -15.197 -5.380 265 HH22 ARG 55 HH22 ARG 55 -12.139 -14.997 -6.879 266 H ARG 56 HN ARG 56 -12.830 -8.240 -2.182 267 HA ARG 56 HA ARG 56 -11.364 -7.498 -4.543 268 HB2 ARG 56 HB2 ARG 56 -13.193 -5.666 -4.623 269 HB3 ARG 56 HB1 ARG 56 -13.663 -7.340 -4.877 270 HG2 ARG 56 HG2 ARG 56 -13.773 -6.421 -2.089 271 HG3 ARG 56 HG1 ARG 56 -14.907 -5.640 -3.191 272 HD2 ARG 56 HD2 ARG 56 -14.979 -8.386 -3.792 273 HD3 ARG 56 HD1 ARG 56 -15.008 -8.264 -2.034 274 HE ARG 56 HE ARG 56 -17.111 -7.362 -2.159 275 HH11 ARG 56 HH11 ARG 56 -15.661 -7.315 -5.333 276 HH12 ARG 56 HH12 ARG 56 -17.124 -6.844 -6.131 277 HH21 ARG 56 HH21 ARG 56 -19.036 -6.744 -3.208 278 HH22 ARG 56 HH22 ARG 56 -19.040 -6.519 -4.925 279 H PHE 57 HN PHE 57 -11.979 -6.095 -1.367 280 HA PHE 57 HA PHE 57 -10.784 -3.580 -1.848 281 HB2 PHE 57 HB2 PHE 57 -12.248 -4.188 0.118 282 HB3 PHE 57 HB1 PHE 57 -10.883 -5.077 0.779 283 HD1 PHE 57 HD2 PHE 57 -8.640 -3.631 0.906 284 HD2 PHE 57 HD1 PHE 57 -12.595 -2.062 0.869 285 HE1 PHE 57 HE2 PHE 57 -7.831 -1.577 1.990 286 HE2 PHE 57 HE1 PHE 57 -11.795 -0.005 1.957 287 HZ PHE 57 HZ PHE 57 -9.408 0.239 2.516 288 H ARG 58 HN ARG 58 -9.583 -6.628 -0.543 289 HA ARG 58 HA ARG 58 -6.987 -5.960 0.081 290 HB2 ARG 58 HB2 ARG 58 -8.554 -8.289 -0.232 291 HB3 ARG 58 HB1 ARG 58 -7.085 -8.551 -1.154 292 HG2 ARG 58 HG2 ARG 58 -6.715 -9.390 1.021 293 HG3 ARG 58 HG1 ARG 58 -5.809 -7.885 0.892 294 HD2 ARG 58 HD2 ARG 58 -7.373 -6.709 2.198 295 HD3 ARG 58 HD1 ARG 58 -8.577 -7.987 2.045 296 HE ARG 58 HE ARG 58 -6.422 -7.852 3.940 297 HH11 ARG 58 HH11 ARG 58 -8.599 -9.983 2.238 298 HH12 ARG 58 HH12 ARG 58 -8.492 -11.242 3.422 299 HH21 ARG 58 HH21 ARG 58 -6.280 -9.507 5.498 300 HH22 ARG 58 HH22 ARG 58 -7.176 -10.972 5.273 301 H ALA 59 HN ALA 59 -8.078 -7.437 -2.983 302 HA ALA 59 HA ALA 59 -5.677 -7.243 -4.362 303 HB1 ALA 59 HB1 ALA 59 -7.406 -7.045 -6.393 304 HB2 ALA 59 HB2 ALA 59 -8.514 -7.563 -5.123 305 HB3 ALA 59 HB3 ALA 59 -7.111 -8.552 -5.525 306 H ARG 60 HN ARG 60 -8.328 -4.899 -4.145 307 HA ARG 60 HA ARG 60 -7.430 -3.035 -5.995 308 HB2 ARG 60 HB2 ARG 60 -9.373 -3.130 -3.881 309 HB3 ARG 60 HB1 ARG 60 -8.538 -1.584 -3.833 310 HG2 ARG 60 HG2 ARG 60 -10.141 -1.008 -5.303 311 HG3 ARG 60 HG1 ARG 60 -9.027 -1.737 -6.462 312 HD2 ARG 60 HD2 ARG 60 -10.423 -3.911 -5.619 313 HD3 ARG 60 HD1 ARG 60 -11.656 -2.653 -5.528 314 HE ARG 60 HE ARG 60 -10.505 -3.780 -7.901 315 HH11 ARG 60 HH11 ARG 60 -12.062 -0.962 -6.556 316 HH12 ARG 60 HH12 ARG 60 -12.662 -0.410 -8.083 317 HH21 ARG 60 HH21 ARG 60 -11.292 -3.055 -9.912 318 HH22 ARG 60 HH22 ARG 60 -12.225 -1.598 -9.989 319 H VAL 61 HN VAL 61 -6.663 -3.304 -2.541 320 HA VAL 61 HA VAL 61 -4.940 -1.043 -2.479 321 HB VAL 61 HB VAL 61 -4.772 -3.385 -0.595 322 HG11 VAL 61 HG11 VAL 61 -3.089 -1.970 0.022 323 HG12 VAL 61 HG12 VAL 61 -4.417 -1.287 0.960 324 HG13 VAL 61 HG13 VAL 61 -3.933 -0.535 -0.560 325 HG21 VAL 61 HG21 VAL 61 -6.902 -3.075 -0.046 326 HG22 VAL 61 HG22 VAL 61 -7.028 -1.646 -1.071 327 HG23 VAL 61 HG23 VAL 61 -6.432 -1.495 0.581 328 H ASP 62 HN ASP 62 -4.401 -4.528 -2.800 329 HA ASP 62 HA ASP 62 -1.598 -4.459 -2.796 330 HB2 ASP 62 HB2 ASP 62 -3.434 -6.448 -2.829 331 HB3 ASP 62 HB1 ASP 62 -2.893 -6.501 -4.503 332 H ASP 63 HN ASP 63 -3.952 -4.187 -5.408 333 HA ASP 63 HA ASP 63 -2.035 -4.124 -7.509 334 HB2 ASP 63 HB2 ASP 63 -4.633 -4.561 -7.549 335 HB3 ASP 63 HB1 ASP 63 -4.718 -2.816 -7.762 336 H ALA 64 HN ALA 64 -3.707 -1.655 -5.617 337 HA ALA 64 HA ALA 64 -2.940 0.616 -7.020 338 HB1 ALA 64 HB1 ALA 64 -3.698 1.825 -5.232 339 HB2 ALA 64 HB2 ALA 64 -2.982 0.731 -4.048 340 HB3 ALA 64 HB3 ALA 64 -4.461 0.271 -4.892 341 H ILE 65 HN ILE 65 -1.313 -0.825 -4.191 342 HA ILE 65 HA ILE 65 0.914 0.841 -4.145 343 HB ILE 65 HB ILE 65 0.726 -2.074 -3.377 344 HG12 ILE 65 HG12 ILE 65 0.899 -0.142 -1.219 345 HG13 ILE 65 HG11 ILE 65 -0.482 0.188 -2.257 346 HG21 ILE 65 HG21 ILE 65 2.712 -1.655 -1.990 347 HG22 ILE 65 HG22 ILE 65 2.832 -0.032 -2.668 348 HG23 ILE 65 HG23 ILE 65 3.047 -1.440 -3.709 349 HD11 ILE 65 HD11 ILE 65 -1.593 -1.364 -1.148 350 HD12 ILE 65 HD12 ILE 65 -0.142 -1.840 -0.266 351 HD13 ILE 65 HD13 ILE 65 -0.503 -2.571 -1.830 352 H ARG 66 HN ARG 66 0.666 -2.407 -5.575 353 HA ARG 66 HA ARG 66 3.169 -2.519 -6.753 354 HB2 ARG 66 HB2 ARG 66 1.532 -4.401 -6.549 355 HB3 ARG 66 HB1 ARG 66 0.609 -3.692 -7.863 356 HG2 ARG 66 HG2 ARG 66 2.464 -4.003 -9.383 357 HG3 ARG 66 HG1 ARG 66 3.462 -4.621 -8.065 358 HD2 ARG 66 HD2 ARG 66 0.849 -5.936 -8.623 359 HD3 ARG 66 HD1 ARG 66 2.201 -6.249 -9.709 360 HE ARG 66 HE ARG 66 3.137 -6.609 -7.122 361 HH11 ARG 66 HH11 ARG 66 0.766 -8.051 -9.238 362 HH12 ARG 66 HH12 ARG 66 0.899 -9.622 -8.521 363 HH21 ARG 66 HH21 ARG 66 3.313 -8.674 -6.177 364 HH22 ARG 66 HH22 ARG 66 2.344 -9.976 -6.783 365 H GLU 67 HN GLU 67 0.212 -0.985 -7.931 366 HA GLU 67 HA GLU 67 1.086 -0.505 -10.573 367 HB2 GLU 67 HB2 GLU 67 -1.031 0.594 -8.794 368 HB3 GLU 67 HB1 GLU 67 -0.566 1.578 -10.175 369 HG2 GLU 67 HG2 GLU 67 -1.182 -1.300 -10.606 370 HG3 GLU 67 HG1 GLU 67 -2.508 -0.168 -10.344 371 H GLY 68 HN GLY 68 0.974 1.738 -7.792 372 HA2 GLY 68 HA2 GLY 68 2.551 3.734 -9.029 373 HA3 GLY 68 HA1 GLY 68 2.285 3.566 -7.295 374 H LEU 69 HN LEU 69 3.317 1.016 -6.936 375 HA LEU 69 HA LEU 69 6.064 1.526 -6.619 376 HB2 LEU 69 HB2 LEU 69 4.394 -0.972 -6.433 377 HB3 LEU 69 HB1 LEU 69 6.102 -1.029 -6.169 378 HG LEU 69 HG LEU 69 3.980 0.148 -4.445 379 HD11 LEU 69 HD11 LEU 69 5.129 -2.125 -4.173 380 HD12 LEU 69 HD12 LEU 69 5.010 -1.082 -2.755 381 HD13 LEU 69 HD13 LEU 69 6.532 -1.199 -3.638 382 HD21 LEU 69 HD21 LEU 69 6.646 1.337 -4.897 383 HD22 LEU 69 HD22 LEU 69 6.151 1.145 -3.222 384 HD23 LEU 69 HD23 LEU 69 5.157 2.085 -4.335 385 H LYS 70 HN LYS 70 4.189 -0.004 -9.113 386 HA LYS 70 HA LYS 70 6.340 -1.233 -10.482 387 HB2 LYS 70 HB2 LYS 70 4.136 -2.045 -10.897 388 HB3 LYS 70 HB1 LYS 70 3.559 -0.443 -11.332 389 HG2 LYS 70 HG2 LYS 70 4.773 -0.477 -13.378 390 HG3 LYS 70 HG1 LYS 70 5.625 -1.951 -12.915 391 HD2 LYS 70 HD2 LYS 70 2.669 -2.072 -12.936 392 HD3 LYS 70 HD1 LYS 70 3.467 -1.940 -14.505 393 HE2 LYS 70 HE2 LYS 70 4.979 -3.852 -13.580 394 HE3 LYS 70 HE1 LYS 70 3.639 -4.114 -12.463 395 HZ1 LYS 70 HZ1 LYS 70 2.161 -4.402 -14.341 396 HZ2 LYS 70 HZ2 LYS 70 3.450 -5.492 -14.445 397 HZ3 LYS 70 HZ3 LYS 70 3.428 -4.114 -15.426 398 H ALA 71 HN ALA 71 5.134 1.987 -10.324 399 HA ALA 71 HA ALA 71 6.552 2.785 -12.748 400 HB1 ALA 71 HB1 ALA 71 4.289 3.811 -11.239 401 HB2 ALA 71 HB2 ALA 71 4.699 4.004 -12.943 402 HB3 ALA 71 HB3 ALA 71 5.423 5.067 -11.737 403 H LEU 72 HN LEU 72 7.315 2.486 -9.514 404 HA LEU 72 HA LEU 72 9.133 4.798 -9.606 405 HB2 LEU 72 HB2 LEU 72 8.463 3.216 -7.146 406 HB3 LEU 72 HB1 LEU 72 9.163 4.822 -7.251 407 HG LEU 72 HG LEU 72 6.512 4.549 -8.482 408 HD11 LEU 72 HD11 LEU 72 6.602 3.128 -6.293 409 HD12 LEU 72 HD12 LEU 72 5.244 4.203 -6.609 410 HD13 LEU 72 HD13 LEU 72 6.531 4.703 -5.512 411 HD21 LEU 72 HD21 LEU 72 8.093 6.619 -7.847 412 HD22 LEU 72 HD22 LEU 72 7.113 6.537 -6.383 413 HD23 LEU 72 HD23 LEU 72 6.337 6.741 -7.953 414 H GLY 73 HN GLY 73 9.329 1.754 -10.493 415 HA2 GLY 73 HA2 GLY 73 11.707 1.127 -10.989 416 HA3 GLY 73 HA1 GLY 73 12.003 1.381 -9.285 417 H TYR 74 HN TYR 74 9.001 -0.037 -9.504 418 HA TYR 74 HA TYR 74 10.217 -2.705 -9.237 419 HB2 TYR 74 HB2 TYR 74 7.876 -1.491 -7.775 420 HB3 TYR 74 HB1 TYR 74 8.274 -3.201 -7.719 421 HD1 TYR 74 HD2 TYR 74 11.154 -3.238 -7.537 422 HD2 TYR 74 HD1 TYR 74 8.392 -0.585 -5.696 423 HE1 TYR 74 HE2 TYR 74 12.787 -2.788 -5.755 424 HE2 TYR 74 HE1 TYR 74 10.020 -0.122 -3.912 425 HH TYR 74 HH TYR 74 12.480 -0.222 -3.589 426 H TYR 75 HN TYR 75 8.523 -4.491 -9.532 427 HA TYR 75 HA TYR 75 6.868 -3.843 -11.880 428 HB2 TYR 75 HB2 TYR 75 8.734 -6.121 -11.364 429 HB3 TYR 75 HB1 TYR 75 7.320 -6.390 -12.378 430 HD1 TYR 75 HD1 TYR 75 6.980 -4.488 -14.234 431 HD2 TYR 75 HD2 TYR 75 10.687 -5.511 -12.416 432 HE1 TYR 75 HE1 TYR 75 8.177 -3.542 -16.161 433 HE2 TYR 75 HE2 TYR 75 11.897 -4.568 -14.339 434 HH TYR 75 HH TYR 75 10.507 -3.917 -17.247 435 H GLN 76 HN GLN 76 7.281 -6.290 -9.311 436 HA GLN 76 HA GLN 76 4.421 -6.156 -8.789 437 HB2 GLN 76 HB2 GLN 76 5.838 -8.549 -9.880 438 HB3 GLN 76 HB1 GLN 76 4.532 -8.792 -8.729 439 HG2 GLN 76 HG2 GLN 76 2.930 -8.032 -10.171 440 HG3 GLN 76 HG1 GLN 76 4.059 -7.013 -11.062 441 HE21 GLN 76 HE21 GLN 76 2.233 -9.720 -11.245 442 HE22 GLN 76 HE22 GLN 76 3.087 -10.572 -12.481 443 HA PRO 77 HA PRO 77 7.505 -6.580 -5.111 444 HB2 PRO 77 HB2 PRO 77 5.607 -4.426 -4.282 445 HB3 PRO 77 HB1 PRO 77 7.337 -4.586 -3.955 446 HG2 PRO 77 HG2 PRO 77 6.451 -2.896 -5.799 447 HG3 PRO 77 HG1 PRO 77 7.935 -3.831 -6.051 448 HD2 PRO 77 HD2 PRO 77 5.234 -4.192 -7.261 449 HD3 PRO 77 HD1 PRO 77 6.835 -4.532 -7.948 450 H THR 78 HN THR 78 6.975 -8.126 -3.671 451 HA THR 78 HA THR 78 4.331 -9.112 -3.439 452 HB THR 78 HB THR 78 6.540 -9.546 -1.425 453 HG1 THR 78 HG1 THR 78 6.162 -10.798 -3.939 454 HG21 THR 78 HG21 THR 78 3.963 -10.746 -1.861 455 HG22 THR 78 HG22 THR 78 5.105 -10.973 -0.536 456 HG23 THR 78 HG23 THR 78 5.254 -11.939 -2.004 457 H ILE 79 HN ILE 79 2.812 -7.752 -2.696 458 HA ILE 79 HA ILE 79 3.366 -6.292 -0.207 459 HB ILE 79 HB ILE 79 1.351 -5.661 -2.366 460 HG12 ILE 79 HG12 ILE 79 3.439 -3.706 -1.743 461 HG13 ILE 79 HG11 ILE 79 4.081 -5.221 -2.358 462 HG21 ILE 79 HG21 ILE 79 1.108 -3.513 -1.090 463 HG22 ILE 79 HG22 ILE 79 2.007 -4.271 0.224 464 HG23 ILE 79 HG23 ILE 79 0.455 -4.938 -0.282 465 HD11 ILE 79 HD11 ILE 79 1.955 -3.602 -3.738 466 HD12 ILE 79 HD12 ILE 79 2.808 -5.009 -4.371 467 HD13 ILE 79 HD13 ILE 79 3.681 -3.498 -4.096 468 H GLU 80 HN GLU 80 2.615 -7.394 1.461 469 HA GLU 80 HA GLU 80 0.099 -8.871 1.232 470 HB2 GLU 80 HB2 GLU 80 2.540 -9.239 2.709 471 HB3 GLU 80 HB1 GLU 80 1.179 -9.178 3.820 472 HG2 GLU 80 HG2 GLU 80 0.384 -11.161 3.157 473 HG3 GLU 80 HG1 GLU 80 0.742 -10.852 1.458 474 H PHE 81 HN PHE 81 -1.383 -8.765 3.149 475 HA PHE 81 HA PHE 81 -1.391 -6.117 4.403 476 HB2 PHE 81 HB2 PHE 81 -3.768 -7.377 3.028 477 HB3 PHE 81 HB1 PHE 81 -3.799 -5.884 3.955 478 HD1 PHE 81 HD1 PHE 81 -1.292 -4.624 3.045 479 HD2 PHE 81 HD2 PHE 81 -4.309 -6.689 0.871 480 HE1 PHE 81 HE1 PHE 81 -0.711 -3.338 1.029 481 HE2 PHE 81 HE2 PHE 81 -3.731 -5.412 -1.149 482 HZ PHE 81 HZ PHE 81 -1.933 -3.732 -1.071 483 H ASP 82 HN ASP 82 -1.919 -6.101 6.483 484 HA ASP 82 HA ASP 82 -3.184 -8.500 7.634 485 HB2 ASP 82 HB2 ASP 82 -0.793 -8.428 8.223 486 HB3 ASP 82 HB1 ASP 82 -1.003 -6.809 8.883 487 H LEU 83 HN LEU 83 -5.229 -7.648 7.729 488 HA LEU 83 HA LEU 83 -5.606 -5.068 9.038 489 HB2 LEU 83 HB2 LEU 83 -6.778 -5.278 6.991 490 HB3 LEU 83 HB1 LEU 83 -7.395 -6.859 7.421 491 HG LEU 83 HG LEU 83 -8.564 -5.458 9.365 492 HD11 LEU 83 HD11 LEU 83 -8.864 -3.256 9.006 493 HD12 LEU 83 HD12 LEU 83 -8.900 -3.437 7.252 494 HD13 LEU 83 HD13 LEU 83 -7.356 -3.407 8.104 495 HD21 LEU 83 HD21 LEU 83 -10.431 -6.027 8.275 496 HD22 LEU 83 HD22 LEU 83 -9.347 -6.718 7.067 497 HD23 LEU 83 HD23 LEU 83 -9.992 -5.091 6.845 498 H ARG 84 HN ARG 84 -6.884 -4.768 10.840 499 HA ARG 84 HA ARG 84 -7.893 -7.125 12.229 500 HB2 ARG 84 HB2 ARG 84 -6.972 -6.060 14.385 501 HB3 ARG 84 HB1 ARG 84 -5.867 -6.966 13.368 502 HG2 ARG 84 HG2 ARG 84 -6.148 -3.991 13.178 503 HG3 ARG 84 HG1 ARG 84 -5.044 -4.770 14.313 504 HD2 ARG 84 HD2 ARG 84 -4.637 -6.007 11.824 505 HD3 ARG 84 HD1 ARG 84 -4.727 -4.276 11.518 506 HE ARG 84 HE ARG 84 -2.746 -3.985 12.649 507 HH11 ARG 84 HH11 ARG 84 -3.923 -7.229 13.182 508 HH12 ARG 84 HH12 ARG 84 -2.463 -7.766 13.940 509 HH21 ARG 84 HH21 ARG 84 -0.828 -4.691 13.649 510 HH22 ARG 84 HH22 ARG 84 -0.706 -6.327 14.206 511 HA PRO 85 HA PRO 85 -11.346 -4.207 12.060 512 HB2 PRO 85 HB2 PRO 85 -12.389 -6.428 13.759 513 HB3 PRO 85 HB1 PRO 85 -13.165 -5.576 12.418 514 HG2 PRO 85 HG2 PRO 85 -12.150 -8.009 12.068 515 HG3 PRO 85 HG1 PRO 85 -11.997 -6.768 10.809 516 HD2 PRO 85 HD2 PRO 85 -9.947 -7.821 12.691 517 HD3 PRO 85 HD1 PRO 85 -9.759 -7.218 11.033 518 HA PRO 86 HA PRO 86 -11.224 -3.704 16.761 519 HB2 PRO 86 HB2 PRO 86 -10.191 -5.662 18.306 520 HB3 PRO 86 HB1 PRO 86 -11.788 -5.787 17.565 521 HG2 PRO 86 HG2 PRO 86 -9.370 -7.293 16.958 522 HG3 PRO 86 HG1 PRO 86 -11.026 -7.578 16.401 523 HD2 PRO 86 HD2 PRO 86 -8.813 -6.170 15.057 524 HD3 PRO 86 HD1 PRO 86 -10.290 -6.861 14.358 525 HA PRO 87 HA PRO 87 -6.578 -2.748 16.422 526 HB2 PRO 87 HB2 PRO 87 -6.912 -0.038 16.215 527 HB3 PRO 87 HB1 PRO 87 -6.780 -1.123 14.828 528 HG2 PRO 87 HG2 PRO 87 -9.223 0.034 16.101 529 HG3 PRO 87 HG1 PRO 87 -8.841 -0.159 14.382 530 HD2 PRO 87 HD2 PRO 87 -10.495 -1.847 15.668 531 HD3 PRO 87 HD1 PRO 87 -9.406 -2.405 14.382 532 H LYS 88 HN LYS 88 -5.414 -1.062 17.833 533 HA LYS 88 HA LYS 88 -6.653 -1.167 20.474 534 HB2 LYS 88 HB2 LYS 88 -4.578 -1.381 21.352 535 HB3 LYS 88 HB1 LYS 88 -4.185 -1.909 19.725 536 HG2 LYS 88 HG2 LYS 88 -3.816 0.898 20.761 537 HG3 LYS 88 HG1 LYS 88 -2.549 -0.324 20.660 538 HD2 LYS 88 HD2 LYS 88 -3.673 -0.287 18.119 539 HD3 LYS 88 HD1 LYS 88 -3.619 1.412 18.597 540 HE2 LYS 88 HE2 LYS 88 -1.173 0.587 19.400 541 HE3 LYS 88 HE1 LYS 88 -1.429 -0.468 18.010 542 HZ1 LYS 88 HZ1 LYS 88 -2.182 1.850 16.979 543 HZ2 LYS 88 HZ2 LYS 88 -0.583 1.301 16.926 544 HZ3 LYS 88 HZ3 LYS 88 -1.054 2.415 18.108 545 H LYS 89 HN LYS 89 -5.595 1.149 18.084 546 HA LYS 89 HA LYS 89 -6.505 3.296 19.877 547 HB2 LYS 89 HB2 LYS 89 -3.971 3.117 19.552 548 HB3 LYS 89 HB1 LYS 89 -4.270 3.674 17.911 549 HG2 LYS 89 HG2 LYS 89 -3.662 5.561 19.221 550 HG3 LYS 89 HG1 LYS 89 -5.389 5.685 18.879 551 HD2 LYS 89 HD2 LYS 89 -5.421 4.309 21.216 552 HD3 LYS 89 HD1 LYS 89 -3.984 5.309 21.437 553 HE2 LYS 89 HE2 LYS 89 -5.171 7.252 21.462 554 HE3 LYS 89 HE1 LYS 89 -6.416 6.632 20.377 555 HZ1 LYS 89 HZ1 LYS 89 -7.518 6.757 22.375 556 HZ2 LYS 89 HZ2 LYS 89 -6.169 6.308 23.291 557 HZ3 LYS 89 HZ3 LYS 89 -7.004 5.145 22.390 558 H GLY 90 HN GLY 90 -8.004 1.930 17.782 559 HA2 GLY 90 HA2 GLY 90 -9.019 4.268 16.505 560 HA3 GLY 90 HA1 GLY 90 -8.099 3.283 15.385 561 H ARG 91 HN ARG 91 -10.018 3.000 14.158 562 HA ARG 91 HA ARG 91 -12.117 1.368 15.386 563 HB2 ARG 91 HB2 ARG 91 -11.943 3.078 12.944 564 HB3 ARG 91 HB1 ARG 91 -13.101 1.757 12.963 565 HG2 ARG 91 HG2 ARG 91 -14.265 3.682 13.665 566 HG3 ARG 91 HG1 ARG 91 -13.993 2.710 15.113 567 HD2 ARG 91 HD2 ARG 91 -11.758 4.323 14.993 568 HD3 ARG 91 HD1 ARG 91 -13.054 5.385 14.448 569 HE ARG 91 HE ARG 91 -12.656 4.353 17.099 570 HH11 ARG 91 HH11 ARG 91 -15.005 5.608 14.844 571 HH12 ARG 91 HH12 ARG 91 -16.097 6.133 16.081 572 HH21 ARG 91 HH21 ARG 91 -14.091 5.043 18.728 573 HH22 ARG 91 HH22 ARG 91 -15.579 5.813 18.286 574 H GLN 92 HN GLN 92 -10.016 1.418 12.529 575 HA GLN 92 HA GLN 92 -9.794 -1.483 12.629 576 HB2 GLN 92 HB2 GLN 92 -11.634 -0.327 10.899 577 HB3 GLN 92 HB1 GLN 92 -10.220 -0.579 9.883 578 HG2 GLN 92 HG2 GLN 92 -10.288 -2.957 11.048 579 HG3 GLN 92 HG1 GLN 92 -11.996 -2.546 11.195 580 HE21 GLN 92 HE21 GLN 92 -11.473 -4.674 9.755 581 HE22 GLN 92 HE22 GLN 92 -11.634 -4.371 8.064 582 H VAL 93 HN VAL 93 -7.797 -2.156 12.123 583 HA VAL 93 HA VAL 93 -6.003 -0.144 10.948 584 HB VAL 93 HB VAL 93 -5.622 -2.147 13.129 585 HG11 VAL 93 HG11 VAL 93 -3.199 -1.960 12.935 586 HG12 VAL 93 HG12 VAL 93 -3.394 -1.065 11.428 587 HG13 VAL 93 HG13 VAL 93 -3.911 -2.743 11.529 588 HG21 VAL 93 HG21 VAL 93 -6.100 0.263 13.547 589 HG22 VAL 93 HG22 VAL 93 -4.553 0.643 12.792 590 HG23 VAL 93 HG23 VAL 93 -4.601 -0.321 14.268 591 H LEU 94 HN LEU 94 -4.747 -0.681 9.234 592 HA LEU 94 HA LEU 94 -4.716 -3.469 8.338 593 HB2 LEU 94 HB2 LEU 94 -6.472 -1.947 7.167 594 HB3 LEU 94 HB1 LEU 94 -5.088 -1.244 6.361 595 HG LEU 94 HG LEU 94 -6.542 -3.620 5.700 596 HD11 LEU 94 HD11 LEU 94 -4.113 -2.827 4.210 597 HD12 LEU 94 HD12 LEU 94 -5.400 -1.631 4.361 598 HD13 LEU 94 HD13 LEU 94 -5.736 -3.199 3.627 599 HD21 LEU 94 HD21 LEU 94 -4.763 -5.209 5.372 600 HD22 LEU 94 HD22 LEU 94 -4.851 -4.789 7.079 601 HD23 LEU 94 HD23 LEU 94 -3.586 -4.095 6.067 602 H ILE 95 HN ILE 95 -2.672 -4.092 8.071 603 HA ILE 95 HA ILE 95 -0.611 -2.057 7.723 604 HB ILE 95 HB ILE 95 -0.253 -5.012 8.216 605 HG12 ILE 95 HG12 ILE 95 0.355 -3.164 10.406 606 HG13 ILE 95 HG11 ILE 95 -1.351 -3.183 9.968 607 HG21 ILE 95 HG21 ILE 95 2.012 -4.425 8.848 608 HG22 ILE 95 HG22 ILE 95 1.680 -2.721 8.540 609 HG23 ILE 95 HG23 ILE 95 1.679 -3.874 7.206 610 HD11 ILE 95 HD11 ILE 95 -0.016 -5.799 10.286 611 HD12 ILE 95 HD12 ILE 95 -1.655 -5.297 10.703 612 HD13 ILE 95 HD13 ILE 95 -0.303 -4.848 11.743 613 H ALA 96 HN ALA 96 0.936 -2.109 6.076 614 HA ALA 96 HA ALA 96 0.346 -3.887 3.806 615 HB1 ALA 96 HB1 ALA 96 0.626 -0.906 3.804 616 HB2 ALA 96 HB2 ALA 96 -0.608 -1.912 3.045 617 HB3 ALA 96 HB3 ALA 96 1.018 -1.848 2.366 618 H LYS 97 HN LYS 97 2.075 -5.207 3.910 619 HA LYS 97 HA LYS 97 4.744 -3.988 4.121 620 HB2 LYS 97 HB2 LYS 97 4.054 -6.911 4.416 621 HB3 LYS 97 HB1 LYS 97 5.561 -6.118 4.854 622 HG2 LYS 97 HG2 LYS 97 4.676 -6.181 6.916 623 HG3 LYS 97 HG1 LYS 97 3.843 -4.721 6.379 624 HD2 LYS 97 HD2 LYS 97 2.004 -5.848 7.046 625 HD3 LYS 97 HD1 LYS 97 2.148 -6.608 5.460 626 HE2 LYS 97 HE2 LYS 97 3.146 -8.533 6.351 627 HE3 LYS 97 HE1 LYS 97 3.524 -7.735 7.877 628 HZ1 LYS 97 HZ1 LYS 97 0.895 -8.677 6.906 629 HZ2 LYS 97 HZ2 LYS 97 1.026 -7.558 8.167 630 HZ3 LYS 97 HZ3 LYS 97 1.702 -9.099 8.332 631 H VAL 98 HN VAL 98 5.755 -3.680 2.257 632 HA VAL 98 HA VAL 98 5.167 -5.485 0.011 633 HB VAL 98 HB VAL 98 4.694 -3.122 -0.424 634 HG11 VAL 98 HG11 VAL 98 7.309 -2.059 -0.677 635 HG12 VAL 98 HG12 VAL 98 7.145 -2.720 0.950 636 HG13 VAL 98 HG13 VAL 98 5.996 -1.515 0.367 637 HG21 VAL 98 HG21 VAL 98 6.060 -4.859 -2.047 638 HG22 VAL 98 HG22 VAL 98 7.047 -3.401 -2.132 639 HG23 VAL 98 HG23 VAL 98 5.337 -3.336 -2.557 640 H THR 99 HN THR 99 6.824 -6.428 -1.176 641 HA THR 99 HA THR 99 9.585 -5.939 -0.485 642 HB THR 99 HB THR 99 8.351 -8.649 0.047 643 HG1 THR 99 HG1 THR 99 8.044 -7.865 1.952 644 HG21 THR 99 HG21 THR 99 10.587 -8.974 -0.719 645 HG22 THR 99 HG22 THR 99 10.560 -9.185 1.032 646 HG23 THR 99 HG23 THR 99 11.186 -7.691 0.333 647 HA PRO 100 HA PRO 100 9.158 -7.345 -4.792 648 HB2 PRO 100 HB2 PRO 100 10.591 -5.245 -5.847 649 HB3 PRO 100 HB1 PRO 100 8.848 -5.278 -5.627 650 HG2 PRO 100 HG2 PRO 100 10.799 -3.692 -4.235 651 HG3 PRO 100 HG1 PRO 100 9.047 -3.614 -4.105 652 HD2 PRO 100 HD2 PRO 100 10.993 -4.882 -2.328 653 HD3 PRO 100 HD1 PRO 100 9.286 -4.498 -2.032 654 H GLY 101 HN GLY 101 12.157 -5.478 -4.697 655 HA2 GLY 101 HA2 GLY 101 14.039 -7.293 -3.956 656 HA3 GLY 101 HA1 GLY 101 13.633 -7.781 -5.594 657 H VAL 102 HN VAL 102 13.652 -5.874 -7.208 658 HA VAL 102 HA VAL 102 16.061 -4.266 -6.659 659 HB VAL 102 HB VAL 102 16.170 -6.078 -8.462 660 HG11 VAL 102 HG11 VAL 102 14.588 -4.025 -10.010 661 HG12 VAL 102 HG12 VAL 102 13.985 -5.598 -9.486 662 HG13 VAL 102 HG13 VAL 102 15.301 -5.504 -10.656 663 HG21 VAL 102 HG21 VAL 102 16.841 -3.424 -9.635 664 HG22 VAL 102 HG22 VAL 102 17.800 -4.902 -9.566 665 HG23 VAL 102 HG23 VAL 102 17.607 -3.907 -8.122 666 H LEU 103 HN LEU 103 16.179 -2.145 -7.530 667 HA LEU 103 HA LEU 103 13.618 -0.996 -8.398 668 HB2 LEU 103 HB2 LEU 103 14.121 -0.590 -5.942 669 HB3 LEU 103 HB1 LEU 103 15.471 0.396 -6.475 670 HG LEU 103 HG LEU 103 13.628 1.646 -7.868 671 HD11 LEU 103 HD11 LEU 103 11.961 -0.167 -6.985 672 HD12 LEU 103 HD12 LEU 103 11.456 1.513 -7.148 673 HD13 LEU 103 HD13 LEU 103 11.901 0.878 -5.565 674 HD21 LEU 103 HD21 LEU 103 13.777 3.309 -6.336 675 HD22 LEU 103 HD22 LEU 103 15.029 2.253 -5.681 676 HD23 LEU 103 HD23 LEU 103 13.411 2.245 -4.978 677 H GLU 104 HN GLU 104 13.770 0.264 -10.141 678 HA GLU 104 HA GLU 104 16.310 0.626 -11.416 679 HB2 GLU 104 HB2 GLU 104 13.584 1.703 -12.161 680 HB3 GLU 104 HB1 GLU 104 15.010 1.736 -13.190 681 HG2 GLU 104 HG2 GLU 104 14.843 -0.908 -12.555 682 HG3 GLU 104 HG1 GLU 104 13.145 -0.439 -12.623 683 H HIS 105 HN HIS 105 17.461 2.495 -11.745 684 HA HIS 105 HA HIS 105 16.505 5.067 -10.956 685 HB2 HIS 105 HB2 HIS 105 17.806 3.439 -8.962 686 HB3 HIS 105 HB1 HIS 105 18.775 4.869 -9.299 687 HD1 HIS 105 HD1 HIS 105 15.205 3.988 -8.344 688 HD2 HIS 105 HD2 HIS 105 17.931 7.107 -8.014 689 HE1 HIS 105 HE1 HIS 105 14.087 5.706 -6.889 690 HE2 HIS 105 HE2 HIS 105 15.789 7.546 -6.632 691 H HIS 106 HN HIS 106 17.214 5.912 -12.846 692 HA HIS 106 HA HIS 106 20.090 6.219 -13.149 693 HB2 HIS 106 HB2 HIS 106 19.236 4.166 -14.480 694 HB3 HIS 106 HB1 HIS 106 18.509 5.355 -15.557 695 HD1 HIS 106 HD1 HIS 106 20.045 6.571 -17.169 696 HD2 HIS 106 HD2 HIS 106 22.087 4.163 -14.468 697 HE1 HIS 106 HE1 HIS 106 22.418 6.493 -17.998 698 HE2 HIS 106 HE2 HIS 106 23.653 5.101 -16.300 699 H HIS 107 HN HIS 107 16.898 6.915 -14.547 700 HA HIS 107 HA HIS 107 17.686 9.728 -14.767 701 HB2 HIS 107 HB2 HIS 107 16.696 9.910 -16.996 702 HB3 HIS 107 HB1 HIS 107 18.005 8.734 -16.994 703 HD1 HIS 107 HD1 HIS 107 16.880 6.147 -16.398 704 HD2 HIS 107 HD2 HIS 107 14.641 8.976 -18.459 705 HE1 HIS 107 HE1 HIS 107 15.101 4.845 -17.608 706 HE2 HIS 107 HE2 HIS 107 13.812 6.569 -18.917 707 H HIS 108 HN HIS 108 16.227 11.002 -13.844 708 HA HIS 108 HA HIS 108 13.425 10.107 -13.753 709 HB2 HIS 108 HB2 HIS 108 15.211 10.942 -11.528 710 HB3 HIS 108 HB1 HIS 108 13.544 11.504 -11.469 711 HD1 HIS 108 HD1 HIS 108 15.329 8.179 -12.005 712 HD2 HIS 108 HD2 HIS 108 11.928 9.750 -10.208 713 HE1 HIS 108 HE1 HIS 108 14.211 6.235 -10.868 714 HE2 HIS 108 HE2 HIS 108 12.202 7.226 -9.715 715 H HIS 109 HN HIS 109 12.091 12.127 -12.805 716 HA HIS 109 HA HIS 109 12.407 14.178 -14.804 717 HB2 HIS 109 HB2 HIS 109 10.392 13.886 -12.565 718 HB3 HIS 109 HB1 HIS 109 10.317 15.099 -13.839 719 HD1 HIS 109 HD1 HIS 109 7.983 14.042 -14.485 720 HD2 HIS 109 HD2 HIS 109 11.271 11.563 -15.041 721 HE1 HIS 109 HE1 HIS 109 7.174 12.173 -15.960 722 HE2 HIS 109 HE2 HIS 109 9.158 10.641 -16.213 723 H HIS 110 HN HIS 110 14.405 15.116 -14.168 724 HA HIS 110 HA HIS 110 14.782 16.264 -11.587 725 HB2 HIS 110 HB2 HIS 110 16.250 16.267 -14.173 726 HB3 HIS 110 HB1 HIS 110 16.602 17.577 -13.050 727 HD1 HIS 110 HD1 HIS 110 19.008 16.590 -12.750 728 HD2 HIS 110 HD2 HIS 110 15.933 14.106 -11.469 729 HE1 HIS 110 HE1 HIS 110 20.115 14.814 -11.356 730 HE2 HIS 110 HE2 HIS 110 18.245 13.274 -10.663 Start of MODEL 5 1 H1 ALA 22 HT1 ALA 22 -14.419 7.445 9.661 2 H2 ALA 22 HT2 ALA 22 -14.961 5.819 9.750 3 H3 ALA 22 HT3 ALA 22 -15.537 6.852 8.506 4 HA ALA 22 HA ALA 22 -13.760 5.157 7.972 5 HB1 ALA 22 HB1 ALA 22 -13.187 8.001 7.187 6 HB2 ALA 22 HB2 ALA 22 -14.590 7.116 6.589 7 HB3 ALA 22 HB3 ALA 22 -12.964 6.533 6.235 8 H ASN 23 HN ASN 23 -13.077 5.526 10.633 9 HA ASN 23 HA ASN 23 -10.548 6.882 10.831 10 HB2 ASN 23 HB2 ASN 23 -12.324 5.370 12.667 11 HB3 ASN 23 HB1 ASN 23 -10.611 5.400 13.074 12 HD21 ASN 23 HD21 ASN 23 -9.768 7.178 13.973 13 HD22 ASN 23 HD22 ASN 23 -10.634 8.647 14.251 14 H VAL 24 HN VAL 24 -9.553 5.712 9.014 15 HA VAL 24 HA VAL 24 -8.091 3.404 10.013 16 HB VAL 24 HB VAL 24 -8.459 2.068 8.001 17 HG11 VAL 24 HG11 VAL 24 -11.199 2.723 8.996 18 HG12 VAL 24 HG12 VAL 24 -9.997 2.049 10.096 19 HG13 VAL 24 HG13 VAL 24 -10.475 1.151 8.655 20 HG21 VAL 24 HG21 VAL 24 -9.535 2.770 6.161 21 HG22 VAL 24 HG22 VAL 24 -9.267 4.385 6.817 22 HG23 VAL 24 HG23 VAL 24 -10.806 3.568 7.088 23 H ARG 25 HN ARG 25 -6.125 3.021 8.934 24 HA ARG 25 HA ARG 25 -5.327 4.819 6.796 25 HB2 ARG 25 HB2 ARG 25 -4.283 4.967 9.589 26 HB3 ARG 25 HB1 ARG 25 -3.161 5.235 8.263 27 HG2 ARG 25 HG2 ARG 25 -3.809 7.368 8.458 28 HG3 ARG 25 HG1 ARG 25 -5.210 6.840 7.523 29 HD2 ARG 25 HD2 ARG 25 -6.355 6.345 9.698 30 HD3 ARG 25 HD1 ARG 25 -4.998 7.118 10.516 31 HE ARG 25 HE ARG 25 -6.140 8.802 8.518 32 HH11 ARG 25 HH11 ARG 25 -6.560 7.658 11.789 33 HH12 ARG 25 HH12 ARG 25 -7.452 9.053 12.295 34 HH21 ARG 25 HH21 ARG 25 -7.313 10.637 9.182 35 HH22 ARG 25 HH22 ARG 25 -7.880 10.745 10.816 36 H LEU 26 HN LEU 26 -4.259 3.644 5.347 37 HA LEU 26 HA LEU 26 -3.419 0.989 5.881 38 HB2 LEU 26 HB2 LEU 26 -3.332 2.840 3.566 39 HB3 LEU 26 HB1 LEU 26 -2.198 1.504 3.552 40 HG LEU 26 HG LEU 26 -3.905 -0.106 3.476 41 HD11 LEU 26 HD11 LEU 26 -5.351 0.669 5.206 42 HD12 LEU 26 HD12 LEU 26 -6.311 0.506 3.735 43 HD13 LEU 26 HD13 LEU 26 -5.790 2.101 4.275 44 HD21 LEU 26 HD21 LEU 26 -3.624 0.983 1.351 45 HD22 LEU 26 HD22 LEU 26 -4.748 2.261 1.814 46 HD23 LEU 26 HD23 LEU 26 -5.332 0.613 1.586 47 H GLN 27 HN GLN 27 -1.506 0.178 6.458 48 HA GLN 27 HA GLN 27 0.618 2.061 7.130 49 HB2 GLN 27 HB2 GLN 27 -0.370 -0.052 8.501 50 HB3 GLN 27 HB1 GLN 27 0.986 -0.820 7.687 51 HG2 GLN 27 HG2 GLN 27 2.543 0.644 8.698 52 HG3 GLN 27 HG1 GLN 27 1.264 1.707 9.284 53 HE21 GLN 27 HE21 GLN 27 0.310 1.285 11.196 54 HE22 GLN 27 HE22 GLN 27 0.716 -0.047 12.217 55 H VAL 28 HN VAL 28 2.582 2.133 6.181 56 HA VAL 28 HA VAL 28 2.937 0.488 3.778 57 HB VAL 28 HB VAL 28 4.889 2.207 3.427 58 HG11 VAL 28 HG11 VAL 28 3.552 2.795 1.764 59 HG12 VAL 28 HG12 VAL 28 2.562 3.751 2.865 60 HG13 VAL 28 HG13 VAL 28 2.193 2.047 2.601 61 HG21 VAL 28 HG21 VAL 28 3.036 3.902 5.084 62 HG22 VAL 28 HG22 VAL 28 4.601 4.342 4.400 63 HG23 VAL 28 HG23 VAL 28 4.514 3.187 5.730 64 H GLU 29 HN GLU 29 4.543 -0.936 3.560 65 HA GLU 29 HA GLU 29 6.805 -0.871 5.406 66 HB2 GLU 29 HB2 GLU 29 4.693 -2.926 5.357 67 HB3 GLU 29 HB1 GLU 29 6.335 -3.552 5.351 68 HG2 GLU 29 HG2 GLU 29 6.541 -1.725 7.310 69 HG3 GLU 29 HG1 GLU 29 4.841 -2.162 7.471 70 H GLY 30 HN GLY 30 8.623 -1.100 4.305 71 HA2 GLY 30 HA2 GLY 30 10.110 -2.149 2.825 72 HA3 GLY 30 HA1 GLY 30 8.749 -2.921 2.027 73 H LEU 31 HN LEU 31 9.272 0.495 2.739 74 HA LEU 31 HA LEU 31 9.655 1.060 -0.100 75 HB2 LEU 31 HB2 LEU 31 7.625 2.553 1.541 76 HB3 LEU 31 HB1 LEU 31 7.931 2.693 -0.176 77 HG LEU 31 HG LEU 31 6.927 0.143 1.058 78 HD11 LEU 31 HD11 LEU 31 4.720 1.034 -0.032 79 HD12 LEU 31 HD12 LEU 31 5.453 2.606 0.285 80 HD13 LEU 31 HD13 LEU 31 5.162 1.485 1.614 81 HD21 LEU 31 HD21 LEU 31 6.296 -0.420 -1.175 82 HD22 LEU 31 HD22 LEU 31 7.979 0.108 -1.206 83 HD23 LEU 31 HD23 LEU 31 6.704 1.196 -1.755 84 H SER 32 HN SER 32 10.404 3.282 -0.482 85 HA SER 32 HA SER 32 11.228 4.919 1.706 86 HB2 SER 32 HB2 SER 32 13.174 3.033 0.456 87 HB3 SER 32 HB1 SER 32 13.741 4.642 0.901 88 HG SER 32 HG SER 32 12.734 4.138 3.021 89 H GLY 33 HN GLY 33 12.935 6.608 0.812 90 HA2 GLY 33 HA2 GLY 33 13.108 8.454 -0.554 91 HA3 GLY 33 HA1 GLY 33 13.263 7.252 -1.826 92 H GLN 34 HN GLN 34 11.808 7.304 -3.399 93 HA GLN 34 HA GLN 34 9.473 9.026 -3.089 94 HB2 GLN 34 HB2 GLN 34 11.222 8.829 -5.124 95 HB3 GLN 34 HB1 GLN 34 10.018 7.670 -5.670 96 HG2 GLN 34 HG2 GLN 34 8.531 9.260 -6.174 97 HG3 GLN 34 HG1 GLN 34 8.905 10.208 -4.735 98 HE21 GLN 34 HE21 GLN 34 9.476 9.763 -8.083 99 HE22 GLN 34 HE22 GLN 34 10.531 11.111 -8.313 100 H LEU 35 HN LEU 35 10.314 5.688 -3.253 101 HA LEU 35 HA LEU 35 7.962 4.558 -4.229 102 HB2 LEU 35 HB2 LEU 35 10.066 3.588 -2.346 103 HB3 LEU 35 HB1 LEU 35 8.669 2.603 -2.708 104 HG LEU 35 HG LEU 35 10.904 2.340 -4.055 105 HD11 LEU 35 HD11 LEU 35 9.645 1.492 -5.936 106 HD12 LEU 35 HD12 LEU 35 8.225 2.390 -5.402 107 HD13 LEU 35 HD13 LEU 35 8.854 1.071 -4.414 108 HD21 LEU 35 HD21 LEU 35 9.515 4.552 -5.540 109 HD22 LEU 35 HD22 LEU 35 10.852 3.582 -6.161 110 HD23 LEU 35 HD23 LEU 35 11.102 4.641 -4.772 111 H GLU 36 HN GLU 36 8.934 5.022 -0.834 112 HA GLU 36 HA GLU 36 6.590 4.199 0.373 113 HB2 GLU 36 HB2 GLU 36 7.380 5.255 2.330 114 HB3 GLU 36 HB1 GLU 36 8.818 4.778 1.448 115 HG2 GLU 36 HG2 GLU 36 9.130 7.039 0.660 116 HG3 GLU 36 HG1 GLU 36 7.632 7.543 1.440 117 H LYS 37 HN LYS 37 7.346 7.211 -1.208 118 HA LYS 37 HA LYS 37 5.106 8.672 -0.198 119 HB2 LYS 37 HB2 LYS 37 6.463 9.325 -2.793 120 HB3 LYS 37 HB1 LYS 37 5.785 10.417 -1.594 121 HG2 LYS 37 HG2 LYS 37 7.644 9.678 -0.054 122 HG3 LYS 37 HG1 LYS 37 8.366 8.890 -1.458 123 HD2 LYS 37 HD2 LYS 37 9.370 11.049 -1.227 124 HD3 LYS 37 HD1 LYS 37 8.303 11.095 -2.631 125 HE2 LYS 37 HE2 LYS 37 6.904 12.585 -1.681 126 HE3 LYS 37 HE1 LYS 37 7.053 11.858 -0.082 127 HZ1 LYS 37 HZ1 LYS 37 8.132 13.809 0.271 128 HZ2 LYS 37 HZ2 LYS 37 8.665 13.955 -1.328 129 HZ3 LYS 37 HZ3 LYS 37 9.448 12.893 -0.270 130 H ASN 38 HN ASN 38 5.824 7.173 -3.352 131 HA ASN 38 HA ASN 38 3.390 7.673 -4.593 132 HB2 ASN 38 HB2 ASN 38 5.714 6.283 -5.227 133 HB3 ASN 38 HB1 ASN 38 4.460 5.047 -5.272 134 HD21 ASN 38 HD21 ASN 38 4.921 8.416 -6.294 135 HD22 ASN 38 HD22 ASN 38 4.203 8.219 -7.853 136 H VAL 39 HN VAL 39 4.378 4.844 -2.679 137 HA VAL 39 HA VAL 39 1.985 3.411 -2.864 138 HB VAL 39 HB VAL 39 3.838 3.452 -0.479 139 HG11 VAL 39 HG11 VAL 39 2.656 0.913 -1.218 140 HG12 VAL 39 HG12 VAL 39 1.431 2.130 -0.864 141 HG13 VAL 39 HG13 VAL 39 2.663 1.744 0.337 142 HG21 VAL 39 HG21 VAL 39 4.283 2.559 -3.200 143 HG22 VAL 39 HG22 VAL 39 4.462 1.243 -2.039 144 HG23 VAL 39 HG23 VAL 39 5.422 2.712 -1.862 145 H ARG 40 HN ARG 40 3.043 5.870 -0.539 146 HA ARG 40 HA ARG 40 0.913 5.774 1.239 147 HB2 ARG 40 HB2 ARG 40 3.122 7.428 0.828 148 HB3 ARG 40 HB1 ARG 40 1.742 8.509 0.693 149 HG2 ARG 40 HG2 ARG 40 1.994 8.651 2.921 150 HG3 ARG 40 HG1 ARG 40 1.047 7.162 2.909 151 HD2 ARG 40 HD2 ARG 40 2.878 5.835 3.341 152 HD3 ARG 40 HD1 ARG 40 4.014 6.999 2.661 153 HE ARG 40 HE ARG 40 4.163 8.010 4.712 154 HH11 ARG 40 HH11 ARG 40 1.415 5.858 4.701 155 HH12 ARG 40 HH12 ARG 40 1.131 6.010 6.402 156 HH21 ARG 40 HH21 ARG 40 3.791 8.211 6.950 157 HH22 ARG 40 HH22 ARG 40 2.480 7.346 7.679 158 H ALA 41 HN ALA 41 1.192 7.355 -1.893 159 HA ALA 41 HA ALA 41 -1.236 8.792 -1.803 160 HB1 ALA 41 HB1 ALA 41 -0.072 9.588 -3.562 161 HB2 ALA 41 HB2 ALA 41 -0.908 8.316 -4.453 162 HB3 ALA 41 HB3 ALA 41 0.731 8.046 -3.860 163 H GLN 42 HN GLN 42 -0.410 5.626 -3.217 164 HA GLN 42 HA GLN 42 -2.994 4.971 -4.085 165 HB2 GLN 42 HB2 GLN 42 -0.980 2.948 -3.124 166 HB3 GLN 42 HB1 GLN 42 -2.182 2.771 -4.393 167 HG2 GLN 42 HG2 GLN 42 0.346 4.393 -4.481 168 HG3 GLN 42 HG1 GLN 42 -0.051 2.962 -5.418 169 HE21 GLN 42 HE21 GLN 42 0.797 5.363 -6.549 170 HE22 GLN 42 HE22 GLN 42 -0.498 6.019 -7.486 171 H LEU 43 HN LEU 43 -1.398 4.712 -0.990 172 HA LEU 43 HA LEU 43 -3.166 2.970 0.311 173 HB2 LEU 43 HB2 LEU 43 -1.497 5.234 1.394 174 HB3 LEU 43 HB1 LEU 43 -2.355 4.089 2.400 175 HG LEU 43 HG LEU 43 0.201 3.807 0.990 176 HD11 LEU 43 HD11 LEU 43 0.632 3.428 3.139 177 HD12 LEU 43 HD12 LEU 43 -0.041 1.820 2.869 178 HD13 LEU 43 HD13 LEU 43 -1.060 3.106 3.512 179 HD21 LEU 43 HD21 LEU 43 -0.019 1.429 0.543 180 HD22 LEU 43 HD22 LEU 43 -1.176 2.343 -0.424 181 HD23 LEU 43 HD23 LEU 43 -1.718 1.478 1.013 182 H SER 44 HN SER 44 -3.178 6.494 -0.017 183 HA SER 44 HA SER 44 -5.593 6.808 1.504 184 HB2 SER 44 HB2 SER 44 -4.149 8.775 -0.288 185 HB3 SER 44 HB1 SER 44 -5.444 9.172 0.841 186 HG SER 44 HG SER 44 -3.975 9.300 2.320 187 H THR 45 HN THR 45 -4.869 6.027 -1.751 188 HA THR 45 HA THR 45 -7.318 7.086 -2.853 189 HB THR 45 HB THR 45 -6.620 6.055 -4.931 190 HG1 THR 45 HG1 THR 45 -5.821 4.102 -4.135 191 HG21 THR 45 HG21 THR 45 -3.957 6.762 -4.539 192 HG22 THR 45 HG22 THR 45 -4.885 7.806 -3.462 193 HG23 THR 45 HG23 THR 45 -5.252 7.769 -5.186 194 H ILE 46 HN ILE 46 -6.231 4.111 -1.442 195 HA ILE 46 HA ILE 46 -7.975 2.253 -2.498 196 HB ILE 46 HB ILE 46 -7.103 2.426 0.391 197 HG12 ILE 46 HG12 ILE 46 -5.073 2.346 -0.724 198 HG13 ILE 46 HG11 ILE 46 -5.428 0.640 -0.542 199 HG21 ILE 46 HG21 ILE 46 -8.145 0.126 -1.250 200 HG22 ILE 46 HG22 ILE 46 -8.881 0.843 0.181 201 HG23 ILE 46 HG23 ILE 46 -7.372 -0.050 0.324 202 HD11 ILE 46 HD11 ILE 46 -6.359 0.664 -2.854 203 HD12 ILE 46 HD12 ILE 46 -4.629 0.988 -2.745 204 HD13 ILE 46 HD13 ILE 46 -5.759 2.315 -3.010 205 H GLU 47 HN GLU 47 -9.901 1.289 -1.559 206 HA GLU 47 HA GLU 47 -11.950 3.192 -1.135 207 HB2 GLU 47 HB2 GLU 47 -13.313 1.071 -0.644 208 HB3 GLU 47 HB1 GLU 47 -12.646 1.300 -2.244 209 HG2 GLU 47 HG2 GLU 47 -10.808 -0.128 -0.547 210 HG3 GLU 47 HG1 GLU 47 -12.376 -0.929 -0.616 211 H SER 48 HN SER 48 -9.693 2.264 1.006 212 HA SER 48 HA SER 48 -10.990 1.518 3.328 213 HB2 SER 48 HB2 SER 48 -8.813 3.382 3.851 214 HB3 SER 48 HB1 SER 48 -8.935 1.663 4.221 215 HG SER 48 HG SER 48 -7.251 2.100 2.740 216 H ASP 49 HN ASP 49 -11.993 4.073 1.698 217 HA ASP 49 HA ASP 49 -12.105 6.082 3.750 218 HB2 ASP 49 HB2 ASP 49 -12.145 6.488 1.228 219 HB3 ASP 49 HB1 ASP 49 -13.823 5.957 1.273 220 H GLU 50 HN GLU 50 -13.133 3.507 4.541 221 HA GLU 50 HA GLU 50 -14.760 2.891 6.033 222 HB2 GLU 50 HB2 GLU 50 -15.449 5.517 5.750 223 HB3 GLU 50 HB1 GLU 50 -16.874 4.717 5.101 224 HG2 GLU 50 HG2 GLU 50 -15.883 3.594 7.614 225 HG3 GLU 50 HG1 GLU 50 -16.445 5.261 7.721 226 H VAL 51 HN VAL 51 -14.564 1.116 4.500 227 HA VAL 51 HA VAL 51 -17.125 0.621 3.180 228 HB VAL 51 HB VAL 51 -16.167 -0.206 1.173 229 HG11 VAL 51 HG11 VAL 51 -16.418 2.163 1.124 230 HG12 VAL 51 HG12 VAL 51 -14.889 1.778 0.335 231 HG13 VAL 51 HG13 VAL 51 -14.897 2.401 1.985 232 HG21 VAL 51 HG21 VAL 51 -13.460 0.277 1.168 233 HG22 VAL 51 HG22 VAL 51 -14.223 -1.301 1.363 234 HG23 VAL 51 HG23 VAL 51 -13.740 -0.374 2.783 235 H THR 52 HN THR 52 -16.584 -1.873 2.132 236 HA THR 52 HA THR 52 -16.246 -3.442 4.582 237 HB THR 52 HB THR 52 -17.429 -4.170 1.895 238 HG1 THR 52 HG1 THR 52 -18.689 -3.865 4.412 239 HG21 THR 52 HG21 THR 52 -16.835 -6.254 2.587 240 HG22 THR 52 HG22 THR 52 -18.384 -6.086 3.413 241 HG23 THR 52 HG23 THR 52 -16.880 -5.823 4.296 242 HA PRO 53 HA PRO 53 -12.227 -4.400 2.676 243 HB2 PRO 53 HB2 PRO 53 -10.987 -5.151 4.947 244 HB3 PRO 53 HB1 PRO 53 -11.239 -3.452 4.531 245 HG2 PRO 53 HG2 PRO 53 -12.802 -5.196 6.396 246 HG3 PRO 53 HG1 PRO 53 -12.266 -3.520 6.616 247 HD2 PRO 53 HD2 PRO 53 -14.796 -4.190 5.860 248 HD3 PRO 53 HD1 PRO 53 -14.010 -2.670 5.389 249 H ASP 54 HN ASP 54 -12.193 -6.234 1.566 250 HA ASP 54 HA ASP 54 -12.178 -8.769 2.978 251 HB2 ASP 54 HB2 ASP 54 -14.305 -7.905 1.093 252 HB3 ASP 54 HB1 ASP 54 -13.709 -9.552 0.911 253 H ARG 55 HN ARG 55 -11.943 -10.562 1.077 254 HA ARG 55 HA ARG 55 -9.397 -10.435 0.129 255 HB2 ARG 55 HB2 ARG 55 -11.257 -12.324 0.031 256 HB3 ARG 55 HB1 ARG 55 -11.402 -11.766 -1.630 257 HG2 ARG 55 HG2 ARG 55 -9.407 -12.625 -2.238 258 HG3 ARG 55 HG1 ARG 55 -8.663 -12.291 -0.673 259 HD2 ARG 55 HD2 ARG 55 -10.077 -14.168 0.256 260 HD3 ARG 55 HD1 ARG 55 -10.481 -14.573 -1.411 261 HE ARG 55 HE ARG 55 -7.997 -15.075 -0.055 262 HH11 ARG 55 HH11 ARG 55 -9.520 -14.631 -3.163 263 HH12 ARG 55 HH12 ARG 55 -8.299 -15.505 -4.026 264 HH21 ARG 55 HH21 ARG 55 -6.390 -16.224 -1.188 265 HH22 ARG 55 HH22 ARG 55 -6.522 -16.410 -2.905 266 H ARG 56 HN ARG 56 -12.218 -8.950 -1.269 267 HA ARG 56 HA ARG 56 -10.970 -8.351 -3.788 268 HB2 ARG 56 HB2 ARG 56 -12.995 -6.851 -4.072 269 HB3 ARG 56 HB1 ARG 56 -13.332 -8.562 -3.848 270 HG2 ARG 56 HG2 ARG 56 -14.026 -8.224 -1.609 271 HG3 ARG 56 HG1 ARG 56 -13.404 -6.573 -1.597 272 HD2 ARG 56 HD2 ARG 56 -15.338 -7.071 -3.725 273 HD3 ARG 56 HD1 ARG 56 -16.000 -7.310 -2.109 274 HE ARG 56 HE ARG 56 -15.211 -4.820 -3.313 275 HH11 ARG 56 HH11 ARG 56 -15.762 -6.501 -0.304 276 HH12 ARG 56 HH12 ARG 56 -16.052 -5.052 0.597 277 HH21 ARG 56 HH21 ARG 56 -15.592 -2.912 -2.128 278 HH22 ARG 56 HH22 ARG 56 -15.956 -3.014 -0.438 279 H PHE 57 HN PHE 57 -11.594 -6.638 -0.774 280 HA PHE 57 HA PHE 57 -10.759 -4.076 -1.607 281 HB2 PHE 57 HB2 PHE 57 -12.007 -4.554 0.502 282 HB3 PHE 57 HB1 PHE 57 -10.558 -5.308 1.152 283 HD1 PHE 57 HD2 PHE 57 -8.399 -3.726 1.005 284 HD2 PHE 57 HD1 PHE 57 -12.443 -2.404 1.124 285 HE1 PHE 57 HE2 PHE 57 -7.657 -1.546 1.862 286 HE2 PHE 57 HE1 PHE 57 -11.709 -0.219 1.987 287 HZ PHE 57 HZ PHE 57 -9.307 0.209 2.352 288 H ARG 58 HN ARG 58 -9.093 -6.767 -0.054 289 HA ARG 58 HA ARG 58 -6.571 -5.717 0.283 290 HB2 ARG 58 HB2 ARG 58 -7.840 -8.245 0.350 291 HB3 ARG 58 HB1 ARG 58 -6.397 -8.430 -0.627 292 HG2 ARG 58 HG2 ARG 58 -5.744 -8.933 1.556 293 HG3 ARG 58 HG1 ARG 58 -5.161 -7.293 1.279 294 HD2 ARG 58 HD2 ARG 58 -6.725 -6.356 2.682 295 HD3 ARG 58 HD1 ARG 58 -7.858 -7.691 2.480 296 HE ARG 58 HE ARG 58 -5.428 -8.414 3.842 297 HH11 ARG 58 HH11 ARG 58 -8.660 -7.148 4.215 298 HH12 ARG 58 HH12 ARG 58 -8.789 -7.625 5.875 299 HH21 ARG 58 HH21 ARG 58 -5.597 -9.040 6.025 300 HH22 ARG 58 HH22 ARG 58 -7.050 -8.698 6.903 301 H ALA 59 HN ALA 59 -7.894 -7.368 -2.579 302 HA ALA 59 HA ALA 59 -5.593 -7.276 -4.164 303 HB1 ALA 59 HB1 ALA 59 -7.198 -7.472 -6.088 304 HB2 ALA 59 HB2 ALA 59 -8.508 -7.330 -4.916 305 HB3 ALA 59 HB3 ALA 59 -7.387 -8.688 -4.825 306 H ARG 60 HN ARG 60 -8.274 -4.968 -3.878 307 HA ARG 60 HA ARG 60 -7.545 -3.174 -5.857 308 HB2 ARG 60 HB2 ARG 60 -8.881 -2.716 -3.190 309 HB3 ARG 60 HB1 ARG 60 -8.692 -1.447 -4.392 310 HG2 ARG 60 HG2 ARG 60 -9.953 -3.995 -5.244 311 HG3 ARG 60 HG1 ARG 60 -10.888 -2.897 -4.228 312 HD2 ARG 60 HD2 ARG 60 -10.483 -1.086 -5.834 313 HD3 ARG 60 HD1 ARG 60 -9.573 -2.201 -6.853 314 HE ARG 60 HE ARG 60 -12.248 -3.083 -6.282 315 HH11 ARG 60 HH11 ARG 60 -10.271 -1.133 -8.396 316 HH12 ARG 60 HH12 ARG 60 -11.389 -1.209 -9.717 317 HH21 ARG 60 HH21 ARG 60 -13.719 -3.184 -8.017 318 HH22 ARG 60 HH22 ARG 60 -13.347 -2.373 -9.502 319 H VAL 61 HN VAL 61 -6.522 -3.265 -2.455 320 HA VAL 61 HA VAL 61 -4.827 -0.993 -2.640 321 HB VAL 61 HB VAL 61 -4.356 -3.205 -0.668 322 HG11 VAL 61 HG11 VAL 61 -3.763 -0.324 -0.890 323 HG12 VAL 61 HG12 VAL 61 -2.823 -1.625 -0.162 324 HG13 VAL 61 HG13 VAL 61 -4.181 -0.922 0.715 325 HG21 VAL 61 HG21 VAL 61 -6.097 -1.559 0.635 326 HG22 VAL 61 HG22 VAL 61 -6.515 -3.115 -0.081 327 HG23 VAL 61 HG23 VAL 61 -6.796 -1.627 -0.983 328 H ASP 62 HN ASP 62 -4.242 -4.492 -2.788 329 HA ASP 62 HA ASP 62 -1.479 -4.479 -3.041 330 HB2 ASP 62 HB2 ASP 62 -3.389 -6.417 -3.068 331 HB3 ASP 62 HB1 ASP 62 -2.906 -6.418 -4.760 332 H ASP 63 HN ASP 63 -3.968 -4.228 -5.539 333 HA ASP 63 HA ASP 63 -2.209 -4.053 -7.743 334 HB2 ASP 63 HB2 ASP 63 -4.777 -4.492 -7.655 335 HB3 ASP 63 HB1 ASP 63 -4.914 -2.740 -7.685 336 H ALA 64 HN ALA 64 -3.710 -1.658 -5.645 337 HA ALA 64 HA ALA 64 -3.023 0.671 -6.995 338 HB1 ALA 64 HB1 ALA 64 -3.739 1.772 -5.148 339 HB2 ALA 64 HB2 ALA 64 -2.843 0.730 -4.043 340 HB3 ALA 64 HB3 ALA 64 -4.365 0.175 -4.740 341 H ILE 65 HN ILE 65 -1.240 -0.759 -4.238 342 HA ILE 65 HA ILE 65 0.992 0.882 -4.358 343 HB ILE 65 HB ILE 65 0.855 -2.024 -3.547 344 HG12 ILE 65 HG12 ILE 65 1.143 -0.371 -1.308 345 HG13 ILE 65 HG11 ILE 65 -0.040 0.445 -2.320 346 HG21 ILE 65 HG21 ILE 65 3.155 -1.364 -4.029 347 HG22 ILE 65 HG22 ILE 65 2.920 -1.597 -2.296 348 HG23 ILE 65 HG23 ILE 65 2.987 0.033 -2.965 349 HD11 ILE 65 HD11 ILE 65 -0.387 -1.793 -0.614 350 HD12 ILE 65 HD12 ILE 65 -0.717 -2.293 -2.272 351 HD13 ILE 65 HD13 ILE 65 -1.592 -0.932 -1.571 352 H ARG 66 HN ARG 66 0.635 -2.368 -5.773 353 HA ARG 66 HA ARG 66 3.049 -2.577 -7.065 354 HB2 ARG 66 HB2 ARG 66 1.380 -4.380 -6.907 355 HB3 ARG 66 HB1 ARG 66 0.342 -3.525 -8.035 356 HG2 ARG 66 HG2 ARG 66 1.855 -3.862 -9.824 357 HG3 ARG 66 HG1 ARG 66 3.115 -4.429 -8.728 358 HD2 ARG 66 HD2 ARG 66 2.122 -6.480 -8.426 359 HD3 ARG 66 HD1 ARG 66 0.511 -5.871 -8.799 360 HE ARG 66 HE ARG 66 2.312 -7.052 -10.616 361 HH11 ARG 66 HH11 ARG 66 0.027 -4.425 -10.389 362 HH12 ARG 66 HH12 ARG 66 -0.324 -4.418 -12.085 363 HH21 ARG 66 HH21 ARG 66 1.852 -7.046 -12.846 364 HH22 ARG 66 HH22 ARG 66 0.711 -5.907 -13.480 365 H GLU 67 HN GLU 67 0.147 -0.846 -8.128 366 HA GLU 67 HA GLU 67 1.010 -0.293 -10.755 367 HB2 GLU 67 HB2 GLU 67 -0.873 1.200 -8.919 368 HB3 GLU 67 HB1 GLU 67 -0.601 1.654 -10.596 369 HG2 GLU 67 HG2 GLU 67 -1.281 -1.162 -10.223 370 HG3 GLU 67 HG1 GLU 67 -2.540 -0.039 -9.711 371 H GLY 68 HN GLY 68 1.066 1.831 -7.871 372 HA2 GLY 68 HA2 GLY 68 2.697 3.807 -9.063 373 HA3 GLY 68 HA1 GLY 68 2.488 3.561 -7.331 374 H LEU 69 HN LEU 69 3.430 0.987 -7.081 375 HA LEU 69 HA LEU 69 6.201 1.364 -6.875 376 HB2 LEU 69 HB2 LEU 69 4.380 -1.009 -6.629 377 HB3 LEU 69 HB1 LEU 69 6.092 -1.260 -6.602 378 HG LEU 69 HG LEU 69 4.381 0.149 -4.588 379 HD11 LEU 69 HD11 LEU 69 5.113 -1.446 -3.139 380 HD12 LEU 69 HD12 LEU 69 6.672 -1.624 -3.944 381 HD13 LEU 69 HD13 LEU 69 5.230 -2.360 -4.643 382 HD21 LEU 69 HD21 LEU 69 6.868 0.586 -3.623 383 HD22 LEU 69 HD22 LEU 69 5.941 1.787 -4.523 384 HD23 LEU 69 HD23 LEU 69 7.147 0.805 -5.348 385 H LYS 70 HN LYS 70 4.176 0.005 -9.347 386 HA LYS 70 HA LYS 70 6.216 -1.267 -10.841 387 HB2 LYS 70 HB2 LYS 70 3.938 -1.932 -11.184 388 HB3 LYS 70 HB1 LYS 70 3.465 -0.291 -11.600 389 HG2 LYS 70 HG2 LYS 70 4.606 -0.393 -13.672 390 HG3 LYS 70 HG1 LYS 70 5.417 -1.895 -13.227 391 HD2 LYS 70 HD2 LYS 70 2.457 -1.908 -13.190 392 HD3 LYS 70 HD1 LYS 70 3.233 -1.819 -14.772 393 HE2 LYS 70 HE2 LYS 70 4.670 -3.785 -13.933 394 HE3 LYS 70 HE1 LYS 70 3.432 -3.966 -12.690 395 HZ1 LYS 70 HZ1 LYS 70 3.149 -4.260 -15.617 396 HZ2 LYS 70 HZ2 LYS 70 1.805 -4.003 -14.624 397 HZ3 LYS 70 HZ3 LYS 70 2.768 -5.376 -14.403 398 H ALA 71 HN ALA 71 5.176 2.001 -10.527 399 HA ALA 71 HA ALA 71 6.576 2.809 -12.962 400 HB1 ALA 71 HB1 ALA 71 4.336 3.834 -11.449 401 HB2 ALA 71 HB2 ALA 71 4.799 4.126 -13.126 402 HB3 ALA 71 HB3 ALA 71 5.511 5.092 -11.834 403 H LEU 72 HN LEU 72 7.380 2.426 -9.741 404 HA LEU 72 HA LEU 72 9.257 4.693 -9.833 405 HB2 LEU 72 HB2 LEU 72 8.590 3.133 -7.361 406 HB3 LEU 72 HB1 LEU 72 9.285 4.740 -7.490 407 HG LEU 72 HG LEU 72 6.618 4.445 -8.681 408 HD11 LEU 72 HD11 LEU 72 5.376 4.123 -6.790 409 HD12 LEU 72 HD12 LEU 72 6.671 4.651 -5.716 410 HD13 LEU 72 HD13 LEU 72 6.742 3.060 -6.468 411 HD21 LEU 72 HD21 LEU 72 7.392 6.458 -6.627 412 HD22 LEU 72 HD22 LEU 72 6.374 6.638 -8.056 413 HD23 LEU 72 HD23 LEU 72 8.126 6.542 -8.228 414 H GLY 73 HN GLY 73 9.420 1.710 -10.806 415 HA2 GLY 73 HA2 GLY 73 11.796 1.037 -11.265 416 HA3 GLY 73 HA1 GLY 73 12.051 1.215 -9.543 417 H TYR 74 HN TYR 74 9.139 -0.050 -9.432 418 HA TYR 74 HA TYR 74 10.205 -2.784 -9.424 419 HB2 TYR 74 HB2 TYR 74 7.926 -1.507 -7.919 420 HB3 TYR 74 HB1 TYR 74 8.243 -3.236 -7.911 421 HD1 TYR 74 HD2 TYR 74 10.791 -3.835 -7.360 422 HD2 TYR 74 HD1 TYR 74 8.817 -0.257 -6.199 423 HE1 TYR 74 HE2 TYR 74 12.440 -3.514 -5.569 424 HE2 TYR 74 HE1 TYR 74 10.477 0.083 -4.409 425 HH TYR 74 HH TYR 74 12.080 -1.698 -3.031 426 H TYR 75 HN TYR 75 8.441 -4.496 -9.784 427 HA TYR 75 HA TYR 75 6.830 -3.694 -12.116 428 HB2 TYR 75 HB2 TYR 75 8.604 -6.043 -11.660 429 HB3 TYR 75 HB1 TYR 75 7.145 -6.287 -12.617 430 HD1 TYR 75 HD2 TYR 75 6.769 -4.442 -14.495 431 HD2 TYR 75 HD1 TYR 75 10.527 -5.427 -12.765 432 HE1 TYR 75 HE2 TYR 75 7.909 -3.534 -16.475 433 HE2 TYR 75 HE1 TYR 75 11.682 -4.521 -14.740 434 HH TYR 75 HH TYR 75 10.670 -2.527 -16.708 435 H GLN 76 HN GLN 76 7.059 -6.332 -9.710 436 HA GLN 76 HA GLN 76 4.221 -5.983 -9.145 437 HB2 GLN 76 HB2 GLN 76 5.250 -8.748 -9.715 438 HB3 GLN 76 HB1 GLN 76 3.584 -8.198 -9.606 439 HG2 GLN 76 HG2 GLN 76 3.998 -6.850 -11.681 440 HG3 GLN 76 HG1 GLN 76 5.550 -7.675 -11.818 441 HE21 GLN 76 HE21 GLN 76 5.435 -9.148 -13.346 442 HE22 GLN 76 HE22 GLN 76 4.127 -10.245 -13.610 443 HA PRO 77 HA PRO 77 7.261 -6.876 -5.524 444 HB2 PRO 77 HB2 PRO 77 5.596 -4.579 -4.580 445 HB3 PRO 77 HB1 PRO 77 7.302 -4.931 -4.271 446 HG2 PRO 77 HG2 PRO 77 6.610 -3.075 -6.024 447 HG3 PRO 77 HG1 PRO 77 7.964 -4.173 -6.355 448 HD2 PRO 77 HD2 PRO 77 5.198 -4.169 -7.488 449 HD3 PRO 77 HD1 PRO 77 6.735 -4.613 -8.257 450 H THR 78 HN THR 78 6.618 -8.373 -4.083 451 HA THR 78 HA THR 78 3.893 -9.142 -3.877 452 HB THR 78 HB THR 78 5.938 -9.872 -1.803 453 HG1 THR 78 HG1 THR 78 5.897 -10.691 -4.506 454 HG21 THR 78 HG21 THR 78 3.568 -10.778 -1.804 455 HG22 THR 78 HG22 THR 78 4.881 -11.953 -1.719 456 HG23 THR 78 HG23 THR 78 4.036 -11.683 -3.243 457 H ILE 79 HN ILE 79 2.504 -7.685 -3.058 458 HA ILE 79 HA ILE 79 3.221 -6.382 -0.523 459 HB ILE 79 HB ILE 79 1.216 -5.473 -2.586 460 HG12 ILE 79 HG12 ILE 79 3.495 -3.739 -2.043 461 HG13 ILE 79 HG11 ILE 79 3.992 -5.308 -2.661 462 HG21 ILE 79 HG21 ILE 79 2.225 -4.040 -0.133 463 HG22 ILE 79 HG22 ILE 79 0.661 -4.844 -0.258 464 HG23 ILE 79 HG23 ILE 79 1.021 -3.454 -1.281 465 HD11 ILE 79 HD11 ILE 79 2.667 -5.008 -4.635 466 HD12 ILE 79 HD12 ILE 79 3.688 -3.585 -4.411 467 HD13 ILE 79 HD13 ILE 79 1.975 -3.520 -3.994 468 H GLU 80 HN GLU 80 2.437 -7.620 1.050 469 HA GLU 80 HA GLU 80 -0.249 -8.752 0.828 470 HB2 GLU 80 HB2 GLU 80 1.787 -9.116 3.035 471 HB3 GLU 80 HB1 GLU 80 0.312 -10.045 2.803 472 HG2 GLU 80 HG2 GLU 80 1.244 -11.381 1.273 473 HG3 GLU 80 HG1 GLU 80 2.115 -10.057 0.500 474 H PHE 81 HN PHE 81 -1.548 -8.665 2.970 475 HA PHE 81 HA PHE 81 -1.196 -6.100 4.325 476 HB2 PHE 81 HB2 PHE 81 -3.818 -6.925 3.072 477 HB3 PHE 81 HB1 PHE 81 -3.510 -5.448 3.979 478 HD1 PHE 81 HD1 PHE 81 -1.961 -3.737 3.032 479 HD2 PHE 81 HD2 PHE 81 -3.330 -7.076 0.777 480 HE1 PHE 81 HE1 PHE 81 -1.324 -2.589 0.952 481 HE2 PHE 81 HE2 PHE 81 -2.693 -5.934 -1.305 482 HZ PHE 81 HZ PHE 81 -1.688 -3.688 -1.221 483 H ASP 82 HN ASP 82 -1.881 -6.026 6.393 484 HA ASP 82 HA ASP 82 -3.268 -8.389 7.468 485 HB2 ASP 82 HB2 ASP 82 -0.831 -8.410 8.026 486 HB3 ASP 82 HB1 ASP 82 -1.046 -6.874 8.859 487 H LEU 83 HN LEU 83 -5.247 -7.406 7.584 488 HA LEU 83 HA LEU 83 -5.494 -4.814 8.867 489 HB2 LEU 83 HB2 LEU 83 -6.797 -5.146 6.897 490 HB3 LEU 83 HB1 LEU 83 -7.454 -6.649 7.511 491 HG LEU 83 HG LEU 83 -8.389 -5.025 9.409 492 HD11 LEU 83 HD11 LEU 83 -8.613 -2.849 8.874 493 HD12 LEU 83 HD12 LEU 83 -8.813 -3.182 7.154 494 HD13 LEU 83 HD13 LEU 83 -7.200 -3.160 7.866 495 HD21 LEU 83 HD21 LEU 83 -9.963 -4.845 6.937 496 HD22 LEU 83 HD22 LEU 83 -10.387 -5.520 8.510 497 HD23 LEU 83 HD23 LEU 83 -9.432 -6.470 7.371 498 H ARG 84 HN ARG 84 -6.512 -4.411 10.779 499 HA ARG 84 HA ARG 84 -7.431 -6.704 12.355 500 HB2 ARG 84 HB2 ARG 84 -6.260 -4.782 14.115 501 HB3 ARG 84 HB1 ARG 84 -5.826 -6.467 13.888 502 HG2 ARG 84 HG2 ARG 84 -4.810 -4.308 12.076 503 HG3 ARG 84 HG1 ARG 84 -4.002 -4.730 13.587 504 HD2 ARG 84 HD2 ARG 84 -4.373 -7.178 12.445 505 HD3 ARG 84 HD1 ARG 84 -4.106 -6.158 11.033 506 HE ARG 84 HE ARG 84 -1.906 -6.124 11.594 507 HH11 ARG 84 HH11 ARG 84 -3.747 -6.666 14.509 508 HH12 ARG 84 HH12 ARG 84 -2.346 -6.809 15.517 509 HH21 ARG 84 HH21 ARG 84 -0.063 -6.312 12.918 510 HH22 ARG 84 HH22 ARG 84 -0.254 -6.607 14.614 511 HA PRO 85 HA PRO 85 -10.906 -3.734 12.096 512 HB2 PRO 85 HB2 PRO 85 -11.978 -6.033 13.676 513 HB3 PRO 85 HB1 PRO 85 -12.740 -5.107 12.376 514 HG2 PRO 85 HG2 PRO 85 -11.729 -7.518 11.899 515 HG3 PRO 85 HG1 PRO 85 -11.551 -6.209 10.715 516 HD2 PRO 85 HD2 PRO 85 -9.535 -7.377 12.566 517 HD3 PRO 85 HD1 PRO 85 -9.317 -6.683 10.947 518 HA PRO 86 HA PRO 86 -10.897 -3.406 16.806 519 HB2 PRO 86 HB2 PRO 86 -9.745 -5.315 18.320 520 HB3 PRO 86 HB1 PRO 86 -11.324 -5.538 17.561 521 HG2 PRO 86 HG2 PRO 86 -8.778 -6.828 16.933 522 HG3 PRO 86 HG1 PRO 86 -10.412 -7.270 16.415 523 HD2 PRO 86 HD2 PRO 86 -8.367 -5.725 14.992 524 HD3 PRO 86 HD1 PRO 86 -9.852 -6.467 14.360 525 HA PRO 87 HA PRO 87 -6.353 -2.061 16.521 526 HB2 PRO 87 HB2 PRO 87 -6.915 0.614 16.475 527 HB3 PRO 87 HB1 PRO 87 -6.724 -0.369 15.023 528 HG2 PRO 87 HG2 PRO 87 -9.226 0.485 16.414 529 HG3 PRO 87 HG1 PRO 87 -8.864 0.455 14.680 530 HD2 PRO 87 HD2 PRO 87 -10.344 -1.461 15.845 531 HD3 PRO 87 HD1 PRO 87 -9.218 -1.835 14.524 532 H LYS 88 HN LYS 88 -5.344 -0.322 17.975 533 HA LYS 88 HA LYS 88 -6.464 -0.668 20.642 534 HB2 LYS 88 HB2 LYS 88 -4.247 0.149 21.411 535 HB3 LYS 88 HB1 LYS 88 -4.175 -1.316 20.441 536 HG2 LYS 88 HG2 LYS 88 -2.628 -0.292 19.251 537 HG3 LYS 88 HG1 LYS 88 -3.922 0.686 18.572 538 HD2 LYS 88 HD2 LYS 88 -3.238 2.531 19.640 539 HD3 LYS 88 HD1 LYS 88 -2.994 1.662 21.158 540 HE2 LYS 88 HE2 LYS 88 -0.840 0.852 20.368 541 HE3 LYS 88 HE1 LYS 88 -1.089 1.656 18.819 542 HZ1 LYS 88 HZ1 LYS 88 -1.084 3.155 21.368 543 HZ2 LYS 88 HZ2 LYS 88 -0.881 3.751 19.798 544 HZ3 LYS 88 HZ3 LYS 88 0.345 2.838 20.520 545 H LYS 89 HN LYS 89 -5.577 1.858 18.360 546 HA LYS 89 HA LYS 89 -6.876 3.807 20.139 547 HB2 LYS 89 HB2 LYS 89 -4.403 4.036 20.206 548 HB3 LYS 89 HB1 LYS 89 -4.423 4.353 18.477 549 HG2 LYS 89 HG2 LYS 89 -6.262 6.141 19.611 550 HG3 LYS 89 HG1 LYS 89 -4.845 6.157 20.662 551 HD2 LYS 89 HD2 LYS 89 -4.352 6.250 17.743 552 HD3 LYS 89 HD1 LYS 89 -5.055 7.691 18.481 553 HE2 LYS 89 HE2 LYS 89 -2.637 6.352 19.649 554 HE3 LYS 89 HE1 LYS 89 -2.495 7.523 18.338 555 HZ1 LYS 89 HZ1 LYS 89 -4.120 8.335 20.607 556 HZ2 LYS 89 HZ2 LYS 89 -3.019 9.230 19.689 557 HZ3 LYS 89 HZ3 LYS 89 -2.460 8.194 20.903 558 H GLY 90 HN GLY 90 -8.000 2.382 17.867 559 HA2 GLY 90 HA2 GLY 90 -9.011 4.714 16.504 560 HA3 GLY 90 HA1 GLY 90 -8.056 3.656 15.488 561 H ARG 91 HN ARG 91 -9.938 3.346 14.189 562 HA ARG 91 HA ARG 91 -12.089 1.785 15.409 563 HB2 ARG 91 HB2 ARG 91 -11.844 3.492 12.993 564 HB3 ARG 91 HB1 ARG 91 -12.945 2.124 12.896 565 HG2 ARG 91 HG2 ARG 91 -14.244 3.959 13.583 566 HG3 ARG 91 HG1 ARG 91 -13.992 2.973 15.023 567 HD2 ARG 91 HD2 ARG 91 -13.002 4.655 16.082 568 HD3 ARG 91 HD1 ARG 91 -11.874 4.897 14.749 569 HE ARG 91 HE ARG 91 -14.141 6.059 13.849 570 HH11 ARG 91 HH11 ARG 91 -12.310 6.387 16.802 571 HH12 ARG 91 HH12 ARG 91 -12.754 8.044 17.040 572 HH21 ARG 91 HH21 ARG 91 -14.725 8.238 14.160 573 HH22 ARG 91 HH22 ARG 91 -14.125 9.095 15.541 574 H GLN 92 HN GLN 92 -10.036 1.720 12.498 575 HA GLN 92 HA GLN 92 -9.769 -1.167 12.761 576 HB2 GLN 92 HB2 GLN 92 -11.089 0.208 10.437 577 HB3 GLN 92 HB1 GLN 92 -10.242 -1.316 10.210 578 HG2 GLN 92 HG2 GLN 92 -11.777 -1.983 12.293 579 HG3 GLN 92 HG1 GLN 92 -12.799 -0.746 11.566 580 HE21 GLN 92 HE21 GLN 92 -10.670 -3.254 10.227 581 HE22 GLN 92 HE22 GLN 92 -11.873 -3.976 9.219 582 H VAL 93 HN VAL 93 -7.687 -1.699 12.431 583 HA VAL 93 HA VAL 93 -5.974 0.228 11.043 584 HB VAL 93 HB VAL 93 -4.129 -1.229 12.069 585 HG11 VAL 93 HG11 VAL 93 -5.865 0.772 13.347 586 HG12 VAL 93 HG12 VAL 93 -4.121 0.783 13.084 587 HG13 VAL 93 HG13 VAL 93 -4.804 -0.128 14.431 588 HG21 VAL 93 HG21 VAL 93 -4.589 -2.769 13.666 589 HG22 VAL 93 HG22 VAL 93 -6.054 -2.932 12.699 590 HG23 VAL 93 HG23 VAL 93 -6.073 -1.965 14.172 591 H LEU 94 HN LEU 94 -4.654 -0.344 9.372 592 HA LEU 94 HA LEU 94 -4.787 -3.092 8.368 593 HB2 LEU 94 HB2 LEU 94 -6.390 -1.326 7.245 594 HB3 LEU 94 HB1 LEU 94 -4.926 -0.830 6.424 595 HG LEU 94 HG LEU 94 -6.649 -3.142 5.945 596 HD11 LEU 94 HD11 LEU 94 -6.219 -1.375 4.321 597 HD12 LEU 94 HD12 LEU 94 -5.695 -2.947 3.717 598 HD13 LEU 94 HD13 LEU 94 -4.505 -1.792 4.318 599 HD21 LEU 94 HD21 LEU 94 -4.898 -4.687 5.292 600 HD22 LEU 94 HD22 LEU 94 -4.774 -4.331 7.013 601 HD23 LEU 94 HD23 LEU 94 -3.664 -3.572 5.873 602 H ILE 95 HN ILE 95 -2.858 -3.865 7.723 603 HA ILE 95 HA ILE 95 -0.652 -1.934 7.453 604 HB ILE 95 HB ILE 95 -0.463 -4.839 8.251 605 HG12 ILE 95 HG12 ILE 95 0.126 -2.514 10.054 606 HG13 ILE 95 HG11 ILE 95 -1.531 -3.079 9.862 607 HG21 ILE 95 HG21 ILE 95 1.617 -2.656 8.153 608 HG22 ILE 95 HG22 ILE 95 1.531 -4.076 7.110 609 HG23 ILE 95 HG23 ILE 95 1.864 -4.265 8.832 610 HD11 ILE 95 HD11 ILE 95 -0.319 -5.409 10.365 611 HD12 ILE 95 HD12 ILE 95 -0.977 -4.360 11.620 612 HD13 ILE 95 HD13 ILE 95 0.747 -4.318 11.248 613 H ALA 96 HN ALA 96 0.970 -2.338 5.860 614 HA ALA 96 HA ALA 96 0.331 -4.323 3.809 615 HB1 ALA 96 HB1 ALA 96 0.332 -2.774 2.012 616 HB2 ALA 96 HB2 ALA 96 0.828 -1.450 3.066 617 HB3 ALA 96 HB3 ALA 96 -0.785 -2.146 3.225 618 H LYS 97 HN LYS 97 2.131 -5.474 3.620 619 HA LYS 97 HA LYS 97 4.725 -4.083 3.746 620 HB2 LYS 97 HB2 LYS 97 4.301 -7.044 4.111 621 HB3 LYS 97 HB1 LYS 97 5.716 -6.092 4.538 622 HG2 LYS 97 HG2 LYS 97 4.842 -6.241 6.603 623 HG3 LYS 97 HG1 LYS 97 3.873 -4.870 6.059 624 HD2 LYS 97 HD2 LYS 97 2.164 -6.178 6.760 625 HD3 LYS 97 HD1 LYS 97 2.348 -6.887 5.154 626 HE2 LYS 97 HE2 LYS 97 2.453 -8.812 6.333 627 HE3 LYS 97 HE1 LYS 97 4.147 -8.352 6.500 628 HZ1 LYS 97 HZ1 LYS 97 3.734 -7.475 8.648 629 HZ2 LYS 97 HZ2 LYS 97 3.023 -9.009 8.607 630 HZ3 LYS 97 HZ3 LYS 97 2.057 -7.626 8.475 631 H VAL 98 HN VAL 98 5.919 -3.990 1.951 632 HA VAL 98 HA VAL 98 5.121 -5.677 -0.324 633 HB VAL 98 HB VAL 98 4.884 -3.282 -0.726 634 HG11 VAL 98 HG11 VAL 98 7.317 -2.159 -0.983 635 HG12 VAL 98 HG12 VAL 98 7.608 -3.226 0.392 636 HG13 VAL 98 HG13 VAL 98 6.321 -2.022 0.465 637 HG21 VAL 98 HG21 VAL 98 7.167 -3.601 -2.458 638 HG22 VAL 98 HG22 VAL 98 5.448 -3.617 -2.850 639 HG23 VAL 98 HG23 VAL 98 6.249 -5.102 -2.346 640 H THR 99 HN THR 99 6.646 -6.787 -1.527 641 HA THR 99 HA THR 99 9.455 -6.598 -0.871 642 HB THR 99 HB THR 99 7.987 -9.204 -0.427 643 HG1 THR 99 HG1 THR 99 9.150 -7.426 1.451 644 HG21 THR 99 HG21 THR 99 10.226 -9.714 0.754 645 HG22 THR 99 HG22 THR 99 10.866 -8.442 -0.287 646 HG23 THR 99 HG23 THR 99 10.114 -9.869 -0.999 647 HA PRO 100 HA PRO 100 8.840 -7.842 -5.210 648 HB2 PRO 100 HB2 PRO 100 10.405 -5.854 -6.252 649 HB3 PRO 100 HB1 PRO 100 8.681 -5.716 -5.945 650 HG2 PRO 100 HG2 PRO 100 10.871 -4.422 -4.586 651 HG3 PRO 100 HG1 PRO 100 9.149 -4.110 -4.423 652 HD2 PRO 100 HD2 PRO 100 10.925 -5.635 -2.690 653 HD3 PRO 100 HD1 PRO 100 9.265 -5.088 -2.387 654 H GLY 101 HN GLY 101 11.962 -6.207 -5.083 655 HA2 GLY 101 HA2 GLY 101 13.791 -8.057 -4.453 656 HA3 GLY 101 HA1 GLY 101 13.254 -8.630 -6.025 657 H VAL 102 HN VAL 102 13.074 -6.574 -7.631 658 HA VAL 102 HA VAL 102 15.703 -5.247 -7.465 659 HB VAL 102 HB VAL 102 15.233 -6.979 -9.340 660 HG11 VAL 102 HG11 VAL 102 13.878 -4.567 -10.552 661 HG12 VAL 102 HG12 VAL 102 13.043 -6.016 -9.986 662 HG13 VAL 102 HG13 VAL 102 14.176 -6.121 -11.333 663 HG21 VAL 102 HG21 VAL 102 17.124 -5.267 -9.113 664 HG22 VAL 102 HG22 VAL 102 16.226 -4.314 -10.295 665 HG23 VAL 102 HG23 VAL 102 16.801 -5.927 -10.717 666 H LEU 103 HN LEU 103 15.894 -3.131 -8.409 667 HA LEU 103 HA LEU 103 13.395 -1.679 -8.838 668 HB2 LEU 103 HB2 LEU 103 13.943 -1.392 -6.460 669 HB3 LEU 103 HB1 LEU 103 15.527 -0.780 -6.900 670 HG LEU 103 HG LEU 103 14.014 0.949 -8.283 671 HD11 LEU 103 HD11 LEU 103 11.926 1.279 -7.528 672 HD12 LEU 103 HD12 LEU 103 12.356 0.901 -5.859 673 HD13 LEU 103 HD13 LEU 103 12.051 -0.402 -7.008 674 HD21 LEU 103 HD21 LEU 103 14.753 2.500 -6.805 675 HD22 LEU 103 HD22 LEU 103 15.731 1.138 -6.257 676 HD23 LEU 103 HD23 LEU 103 14.251 1.564 -5.397 677 H GLU 104 HN GLU 104 13.526 -0.249 -10.466 678 HA GLU 104 HA GLU 104 15.762 -0.173 -12.152 679 HB2 GLU 104 HB2 GLU 104 13.480 1.803 -11.977 680 HB3 GLU 104 HB1 GLU 104 14.591 1.639 -13.330 681 HG2 GLU 104 HG2 GLU 104 13.786 -0.674 -13.658 682 HG3 GLU 104 HG1 GLU 104 12.607 -0.411 -12.374 683 H HIS 105 HN HIS 105 17.183 1.568 -12.672 684 HA HIS 105 HA HIS 105 17.727 3.327 -10.373 685 HB2 HIS 105 HB2 HIS 105 19.605 2.149 -12.426 686 HB3 HIS 105 HB1 HIS 105 20.080 3.384 -11.265 687 HD1 HIS 105 HD1 HIS 105 19.992 -0.179 -11.693 688 HD2 HIS 105 HD2 HIS 105 19.638 2.421 -8.471 689 HE1 HIS 105 HE1 HIS 105 20.434 -1.577 -9.651 690 HE2 HIS 105 HE2 HIS 105 20.306 0.037 -7.720 691 H HIS 106 HN HIS 106 19.287 5.219 -11.283 692 HA HIS 106 HA HIS 106 19.347 7.208 -12.381 693 HB2 HIS 106 HB2 HIS 106 18.625 5.251 -14.485 694 HB3 HIS 106 HB1 HIS 106 18.329 6.944 -14.868 695 HD1 HIS 106 HD1 HIS 106 21.271 5.748 -12.836 696 HD2 HIS 106 HD2 HIS 106 20.436 7.253 -16.618 697 HE1 HIS 106 HE1 HIS 106 23.509 6.218 -13.882 698 HE2 HIS 106 HE2 HIS 106 22.977 7.209 -16.136 699 H HIS 107 HN HIS 107 17.893 8.342 -11.137 700 HA HIS 107 HA HIS 107 15.228 8.684 -12.327 701 HB2 HIS 107 HB2 HIS 107 15.906 8.222 -9.430 702 HB3 HIS 107 HB1 HIS 107 14.423 9.043 -9.905 703 HD1 HIS 107 HD1 HIS 107 12.588 7.616 -11.038 704 HD2 HIS 107 HD2 HIS 107 15.963 5.467 -9.916 705 HE1 HIS 107 HE1 HIS 107 11.931 5.195 -11.209 706 HE2 HIS 107 HE2 HIS 107 13.959 3.916 -10.433 707 H HIS 108 HN HIS 108 15.063 10.709 -13.005 708 HA HIS 108 HA HIS 108 16.612 12.804 -11.671 709 HB2 HIS 108 HB2 HIS 108 15.068 12.976 -14.264 710 HB3 HIS 108 HB1 HIS 108 16.234 14.142 -13.648 711 HD1 HIS 108 HD1 HIS 108 16.247 10.449 -14.593 712 HD2 HIS 108 HD2 HIS 108 18.671 13.821 -14.759 713 HE1 HIS 108 HE1 HIS 108 18.332 9.720 -15.795 714 HE2 HIS 108 HE2 HIS 108 19.746 11.798 -15.961 715 H HIS 109 HN HIS 109 15.584 14.919 -11.329 716 HA HIS 109 HA HIS 109 12.687 14.778 -10.891 717 HB2 HIS 109 HB2 HIS 109 14.357 14.430 -8.802 718 HB3 HIS 109 HB1 HIS 109 14.256 16.188 -8.808 719 HD1 HIS 109 HD1 HIS 109 11.243 16.412 -9.613 720 HD2 HIS 109 HD2 HIS 109 12.751 13.936 -6.637 721 HE1 HIS 109 HE1 HIS 109 9.315 15.979 -8.059 722 HE2 HIS 109 HE2 HIS 109 10.273 14.549 -6.220 723 H HIS 110 HN HIS 110 12.254 16.180 -12.560 724 HA HIS 110 HA HIS 110 13.641 18.706 -12.769 725 HB2 HIS 110 HB2 HIS 110 12.759 17.325 -14.729 726 HB3 HIS 110 HB1 HIS 110 11.157 17.899 -14.277 727 HD1 HIS 110 HD1 HIS 110 10.523 19.659 -15.887 728 HD2 HIS 110 HD2 HIS 110 14.514 19.958 -14.770 729 HE1 HIS 110 HE1 HIS 110 11.390 21.719 -17.038 730 HE2 HIS 110 HE2 HIS 110 13.782 21.929 -16.276 Start of MODEL 6 1 H1 ALA 22 HT1 ALA 22 -13.170 3.415 8.270 2 H2 ALA 22 HT2 ALA 22 -14.752 3.580 7.627 3 H3 ALA 22 HT3 ALA 22 -14.502 2.708 9.083 4 HA ALA 22 HA ALA 22 -14.484 5.572 8.578 5 HB1 ALA 22 HB1 ALA 22 -15.547 5.323 10.966 6 HB2 ALA 22 HB2 ALA 22 -15.773 3.651 10.453 7 HB3 ALA 22 HB3 ALA 22 -16.484 4.965 9.515 8 H ASN 23 HN ASN 23 -13.485 3.336 11.178 9 HA ASN 23 HA ASN 23 -11.419 5.283 11.935 10 HB2 ASN 23 HB2 ASN 23 -12.864 3.139 13.476 11 HB3 ASN 23 HB1 ASN 23 -11.352 3.822 14.065 12 HD21 ASN 23 HD21 ASN 23 -14.703 4.206 13.822 13 HD22 ASN 23 HD22 ASN 23 -14.818 5.785 14.514 14 H VAL 24 HN VAL 24 -10.798 3.859 9.717 15 HA VAL 24 HA VAL 24 -8.754 1.983 10.707 16 HB VAL 24 HB VAL 24 -8.981 0.676 8.642 17 HG11 VAL 24 HG11 VAL 24 -10.497 -0.640 9.618 18 HG12 VAL 24 HG12 VAL 24 -11.767 0.576 9.476 19 HG13 VAL 24 HG13 VAL 24 -10.646 0.627 10.837 20 HG21 VAL 24 HG21 VAL 24 -9.852 2.521 7.235 21 HG22 VAL 24 HG22 VAL 24 -11.402 2.380 8.064 22 HG23 VAL 24 HG23 VAL 24 -10.795 1.037 7.096 23 H ARG 25 HN ARG 25 -6.795 1.913 9.547 24 HA ARG 25 HA ARG 25 -6.350 3.902 7.473 25 HB2 ARG 25 HB2 ARG 25 -4.253 4.638 8.833 26 HB3 ARG 25 HB1 ARG 25 -5.817 5.347 9.201 27 HG2 ARG 25 HG2 ARG 25 -6.025 4.181 11.186 28 HG3 ARG 25 HG1 ARG 25 -4.875 2.937 10.693 29 HD2 ARG 25 HD2 ARG 25 -3.760 5.646 10.819 30 HD3 ARG 25 HD1 ARG 25 -4.314 5.013 12.368 31 HE ARG 25 HE ARG 25 -2.674 3.173 10.890 32 HH11 ARG 25 HH11 ARG 25 -2.664 5.843 13.138 33 HH12 ARG 25 HH12 ARG 25 -1.113 5.445 13.797 34 HH21 ARG 25 HH21 ARG 25 -0.634 2.648 11.756 35 HH22 ARG 25 HH22 ARG 25 0.040 3.631 13.013 36 H LEU 26 HN LEU 26 -5.067 3.083 5.958 37 HA LEU 26 HA LEU 26 -3.852 0.522 6.284 38 HB2 LEU 26 HB2 LEU 26 -4.698 2.035 4.143 39 HB3 LEU 26 HB1 LEU 26 -2.959 2.110 3.991 40 HG LEU 26 HG LEU 26 -3.400 0.275 2.703 41 HD11 LEU 26 HD11 LEU 26 -3.355 -1.164 5.334 42 HD12 LEU 26 HD12 LEU 26 -1.940 -0.323 4.701 43 HD13 LEU 26 HD13 LEU 26 -2.653 -1.657 3.793 44 HD21 LEU 26 HD21 LEU 26 -5.876 0.448 3.523 45 HD22 LEU 26 HD22 LEU 26 -5.416 -0.928 4.525 46 HD23 LEU 26 HD23 LEU 26 -5.272 -1.027 2.770 47 H GLN 27 HN GLN 27 -1.754 -0.021 6.635 48 HA GLN 27 HA GLN 27 0.056 2.171 7.353 49 HB2 GLN 27 HB2 GLN 27 -0.571 -0.226 8.627 50 HB3 GLN 27 HB1 GLN 27 1.027 -0.504 7.950 51 HG2 GLN 27 HG2 GLN 27 0.369 1.918 9.594 52 HG3 GLN 27 HG1 GLN 27 0.927 0.404 10.304 53 HE21 GLN 27 HE21 GLN 27 2.204 2.993 10.357 54 HE22 GLN 27 HE22 GLN 27 3.748 2.800 9.605 55 H VAL 28 HN VAL 28 1.470 2.783 5.861 56 HA VAL 28 HA VAL 28 2.185 1.010 3.681 57 HB VAL 28 HB VAL 28 3.728 3.104 3.142 58 HG11 VAL 28 HG11 VAL 28 2.294 2.932 1.458 59 HG12 VAL 28 HG12 VAL 28 1.278 4.082 2.327 60 HG13 VAL 28 HG13 VAL 28 1.004 2.348 2.508 61 HG21 VAL 28 HG21 VAL 28 2.869 5.186 3.903 62 HG22 VAL 28 HG22 VAL 28 3.138 4.186 5.331 63 HG23 VAL 28 HG23 VAL 28 1.505 4.405 4.703 64 H GLU 29 HN GLU 29 3.982 -0.159 3.530 65 HA GLU 29 HA GLU 29 6.326 0.585 5.107 66 HB2 GLU 29 HB2 GLU 29 4.705 -1.883 5.457 67 HB3 GLU 29 HB1 GLU 29 6.453 -2.047 5.539 68 HG2 GLU 29 HG2 GLU 29 6.369 -0.136 7.234 69 HG3 GLU 29 HG1 GLU 29 4.637 -0.458 7.312 70 H GLY 30 HN GLY 30 8.063 0.541 3.862 71 HA2 GLY 30 HA2 GLY 30 9.602 -0.653 2.481 72 HA3 GLY 30 HA1 GLY 30 8.250 -1.491 1.741 73 H LEU 31 HN LEU 31 8.563 1.968 2.301 74 HA LEU 31 HA LEU 31 9.055 2.445 -0.527 75 HB2 LEU 31 HB2 LEU 31 6.846 3.937 0.814 76 HB3 LEU 31 HB1 LEU 31 7.211 3.807 -0.885 77 HG LEU 31 HG LEU 31 6.366 1.383 0.646 78 HD11 LEU 31 HD11 LEU 31 4.045 1.947 -0.238 79 HD12 LEU 31 HD12 LEU 31 4.641 3.599 -0.393 80 HD13 LEU 31 HD13 LEU 31 4.606 2.820 1.187 81 HD21 LEU 31 HD21 LEU 31 6.774 2.192 -2.145 82 HD22 LEU 31 HD22 LEU 31 5.305 1.258 -1.846 83 HD23 LEU 31 HD23 LEU 31 6.877 0.600 -1.396 84 H SER 32 HN SER 32 9.731 4.601 -0.994 85 HA SER 32 HA SER 32 10.414 6.280 1.294 86 HB2 SER 32 HB2 SER 32 12.401 5.055 -0.606 87 HB3 SER 32 HB1 SER 32 12.763 6.535 0.281 88 HG SER 32 HG SER 32 12.758 3.963 1.145 89 H GLY 33 HN GLY 33 10.501 8.438 0.836 90 HA2 GLY 33 HA2 GLY 33 10.088 10.374 -0.321 91 HA3 GLY 33 HA1 GLY 33 10.931 9.608 -1.658 92 H GLN 34 HN GLN 34 9.673 10.234 -3.321 93 HA GLN 34 HA GLN 34 6.989 10.629 -3.494 94 HB2 GLN 34 HB2 GLN 34 8.988 10.690 -5.281 95 HB3 GLN 34 HB1 GLN 34 8.200 9.206 -5.797 96 HG2 GLN 34 HG2 GLN 34 6.076 10.878 -5.538 97 HG3 GLN 34 HG1 GLN 34 7.341 11.990 -6.061 98 HE21 GLN 34 HE21 GLN 34 6.736 12.360 -8.112 99 HE22 GLN 34 HE22 GLN 34 6.601 11.144 -9.332 100 H LEU 35 HN LEU 35 8.660 7.560 -3.480 101 HA LEU 35 HA LEU 35 6.555 5.925 -4.366 102 HB2 LEU 35 HB2 LEU 35 8.598 5.084 -2.352 103 HB3 LEU 35 HB1 LEU 35 7.820 4.101 -3.556 104 HG LEU 35 HG LEU 35 10.070 6.052 -3.886 105 HD11 LEU 35 HD11 LEU 35 10.409 3.803 -5.483 106 HD12 LEU 35 HD12 LEU 35 9.729 3.203 -3.966 107 HD13 LEU 35 HD13 LEU 35 11.210 4.161 -3.950 108 HD21 LEU 35 HD21 LEU 35 9.367 5.094 -6.427 109 HD22 LEU 35 HD22 LEU 35 9.332 6.761 -5.847 110 HD23 LEU 35 HD23 LEU 35 7.893 5.752 -5.711 111 H GLU 36 HN GLU 36 7.685 6.533 -1.046 112 HA GLU 36 HA GLU 36 5.544 5.254 0.232 113 HB2 GLU 36 HB2 GLU 36 7.139 5.611 1.790 114 HB3 GLU 36 HB1 GLU 36 7.755 7.035 0.976 115 HG2 GLU 36 HG2 GLU 36 5.205 7.129 2.533 116 HG3 GLU 36 HG1 GLU 36 6.772 7.273 3.328 117 H LYS 37 HN LYS 37 5.941 8.489 -1.027 118 HA LYS 37 HA LYS 37 3.624 9.624 0.161 119 HB2 LYS 37 HB2 LYS 37 4.766 10.565 -2.452 120 HB3 LYS 37 HB1 LYS 37 4.023 11.510 -1.170 121 HG2 LYS 37 HG2 LYS 37 6.236 10.345 0.032 122 HG3 LYS 37 HG1 LYS 37 6.792 10.799 -1.580 123 HD2 LYS 37 HD2 LYS 37 5.166 12.822 -0.191 124 HD3 LYS 37 HD1 LYS 37 6.733 12.480 0.544 125 HE2 LYS 37 HE2 LYS 37 7.421 12.656 -2.070 126 HE3 LYS 37 HE1 LYS 37 6.079 13.798 -2.005 127 HZ1 LYS 37 HZ1 LYS 37 7.287 14.731 0.027 128 HZ2 LYS 37 HZ2 LYS 37 7.933 15.073 -1.498 129 HZ3 LYS 37 HZ3 LYS 37 8.636 13.876 -0.532 130 H ASN 38 HN ASN 38 4.261 8.244 -3.064 131 HA ASN 38 HA ASN 38 1.731 8.683 -4.158 132 HB2 ASN 38 HB2 ASN 38 4.094 7.406 -4.957 133 HB3 ASN 38 HB1 ASN 38 2.850 6.164 -5.053 134 HD21 ASN 38 HD21 ASN 38 1.340 6.264 -6.630 135 HD22 ASN 38 HD22 ASN 38 1.313 7.468 -7.868 136 H VAL 39 HN VAL 39 2.979 5.702 -2.642 137 HA VAL 39 HA VAL 39 0.611 4.247 -2.709 138 HB VAL 39 HB VAL 39 2.715 4.094 -0.545 139 HG11 VAL 39 HG11 VAL 39 0.720 2.068 -1.555 140 HG12 VAL 39 HG12 VAL 39 0.692 2.875 0.012 141 HG13 VAL 39 HG13 VAL 39 1.990 1.747 -0.375 142 HG21 VAL 39 HG21 VAL 39 2.707 3.252 -3.378 143 HG22 VAL 39 HG22 VAL 39 3.334 2.085 -2.214 144 HG23 VAL 39 HG23 VAL 39 4.054 3.691 -2.328 145 H ARG 40 HN ARG 40 1.726 6.681 -0.423 146 HA ARG 40 HA ARG 40 -0.161 6.267 1.609 147 HB2 ARG 40 HB2 ARG 40 1.576 8.506 0.740 148 HB3 ARG 40 HB1 ARG 40 0.186 8.950 1.722 149 HG2 ARG 40 HG2 ARG 40 1.179 6.850 3.128 150 HG3 ARG 40 HG1 ARG 40 2.652 7.556 2.462 151 HD2 ARG 40 HD2 ARG 40 0.660 9.404 3.652 152 HD3 ARG 40 HD1 ARG 40 1.579 8.380 4.754 153 HE ARG 40 HE ARG 40 3.226 9.739 2.842 154 HH11 ARG 40 HH11 ARG 40 1.610 10.041 5.920 155 HH12 ARG 40 HH12 ARG 40 2.681 11.271 6.502 156 HH21 ARG 40 HH21 ARG 40 4.636 11.356 3.606 157 HH22 ARG 40 HH22 ARG 40 4.399 12.018 5.189 158 H ALA 41 HN ALA 41 -0.299 8.254 -1.329 159 HA ALA 41 HA ALA 41 -2.832 9.388 -0.891 160 HB1 ALA 41 HB1 ALA 41 -2.743 9.197 -3.594 161 HB2 ALA 41 HB2 ALA 41 -1.033 9.025 -3.195 162 HB3 ALA 41 HB3 ALA 41 -1.923 10.452 -2.664 163 H GLN 42 HN GLN 42 -1.807 6.383 -2.434 164 HA GLN 42 HA GLN 42 -4.376 5.526 -3.245 165 HB2 GLN 42 HB2 GLN 42 -1.740 4.165 -2.805 166 HB3 GLN 42 HB1 GLN 42 -3.182 3.197 -3.084 167 HG2 GLN 42 HG2 GLN 42 -2.643 3.397 -5.237 168 HG3 GLN 42 HG1 GLN 42 -3.358 5.002 -5.102 169 HE21 GLN 42 HE21 GLN 42 -0.278 3.331 -4.556 170 HE22 GLN 42 HE22 GLN 42 0.719 4.610 -5.153 171 H LEU 43 HN LEU 43 -2.505 5.179 -0.294 172 HA LEU 43 HA LEU 43 -4.026 3.266 1.043 173 HB2 LEU 43 HB2 LEU 43 -2.440 5.609 2.052 174 HB3 LEU 43 HB1 LEU 43 -3.228 4.480 3.131 175 HG LEU 43 HG LEU 43 -0.777 4.151 1.506 176 HD11 LEU 43 HD11 LEU 43 -0.641 2.457 3.603 177 HD12 LEU 43 HD12 LEU 43 -1.769 3.662 4.220 178 HD13 LEU 43 HD13 LEU 43 -0.170 4.155 3.666 179 HD21 LEU 43 HD21 LEU 43 -2.796 1.952 1.887 180 HD22 LEU 43 HD22 LEU 43 -1.075 1.634 1.660 181 HD23 LEU 43 HD23 LEU 43 -1.993 2.459 0.400 182 H SER 44 HN SER 44 -4.475 6.742 0.721 183 HA SER 44 HA SER 44 -6.703 6.857 2.514 184 HB2 SER 44 HB2 SER 44 -5.385 8.766 0.625 185 HB3 SER 44 HB1 SER 44 -6.997 9.144 1.231 186 HG SER 44 HG SER 44 -4.659 8.657 2.763 187 H THR 45 HN THR 45 -6.297 6.410 -0.945 188 HA THR 45 HA THR 45 -9.104 6.762 -1.494 189 HB THR 45 HB THR 45 -7.074 7.204 -3.065 190 HG1 THR 45 HG1 THR 45 -9.256 7.456 -3.667 191 HG21 THR 45 HG21 THR 45 -7.610 4.682 -4.407 192 HG22 THR 45 HG22 THR 45 -6.709 4.498 -2.904 193 HG23 THR 45 HG23 THR 45 -6.093 5.550 -4.177 194 H ILE 46 HN ILE 46 -7.280 4.202 -0.257 195 HA ILE 46 HA ILE 46 -8.321 1.937 -1.457 196 HB ILE 46 HB ILE 46 -7.767 2.233 1.496 197 HG12 ILE 46 HG12 ILE 46 -5.943 1.641 -0.840 198 HG13 ILE 46 HG11 ILE 46 -5.826 2.972 0.304 199 HG21 ILE 46 HG21 ILE 46 -7.202 -0.214 1.268 200 HG22 ILE 46 HG22 ILE 46 -7.944 -0.155 -0.330 201 HG23 ILE 46 HG23 ILE 46 -8.909 0.186 1.103 202 HD11 ILE 46 HD11 ILE 46 -5.528 0.099 1.103 203 HD12 ILE 46 HD12 ILE 46 -5.120 1.538 2.037 204 HD13 ILE 46 HD13 ILE 46 -4.176 1.117 0.609 205 H GLU 47 HN GLU 47 -9.955 0.421 -0.635 206 HA GLU 47 HA GLU 47 -12.478 1.689 -0.342 207 HB2 GLU 47 HB2 GLU 47 -11.871 -1.237 0.064 208 HB3 GLU 47 HB1 GLU 47 -13.410 -0.515 -0.386 209 HG2 GLU 47 HG2 GLU 47 -11.448 0.263 -2.294 210 HG3 GLU 47 HG1 GLU 47 -11.361 -1.483 -2.068 211 H SER 48 HN SER 48 -10.163 1.303 1.941 212 HA SER 48 HA SER 48 -11.524 0.222 4.145 213 HB2 SER 48 HB2 SER 48 -9.756 1.830 5.360 214 HB3 SER 48 HB1 SER 48 -9.291 0.309 4.600 215 HG SER 48 HG SER 48 -9.142 2.900 3.453 216 H ASP 49 HN ASP 49 -12.666 2.718 2.519 217 HA ASP 49 HA ASP 49 -13.081 4.682 4.545 218 HB2 ASP 49 HB2 ASP 49 -13.177 4.885 1.926 219 HB3 ASP 49 HB1 ASP 49 -14.865 4.436 2.154 220 H GLU 50 HN GLU 50 -13.846 2.024 5.372 221 HA GLU 50 HA GLU 50 -15.429 1.270 6.848 222 HB2 GLU 50 HB2 GLU 50 -16.377 3.808 6.501 223 HB3 GLU 50 HB1 GLU 50 -17.702 2.853 5.850 224 HG2 GLU 50 HG2 GLU 50 -16.661 1.858 8.387 225 HG3 GLU 50 HG1 GLU 50 -17.337 3.483 8.475 226 H VAL 51 HN VAL 51 -14.958 -0.436 5.222 227 HA VAL 51 HA VAL 51 -17.464 -1.257 3.949 228 HB VAL 51 HB VAL 51 -16.420 -1.967 1.936 229 HG11 VAL 51 HG11 VAL 51 -15.570 0.129 1.012 230 HG12 VAL 51 HG12 VAL 51 -15.365 0.769 2.643 231 HG13 VAL 51 HG13 VAL 51 -16.980 0.407 2.034 232 HG21 VAL 51 HG21 VAL 51 -13.865 -1.438 3.402 233 HG22 VAL 51 HG22 VAL 51 -13.904 -1.399 1.639 234 HG23 VAL 51 HG23 VAL 51 -14.361 -2.869 2.499 235 H THR 52 HN THR 52 -16.757 -3.662 2.935 236 HA THR 52 HA THR 52 -16.032 -5.159 5.352 237 HB THR 52 HB THR 52 -18.212 -5.699 4.410 238 HG1 THR 52 HG1 THR 52 -16.965 -7.412 5.297 239 HG21 THR 52 HG21 THR 52 -17.011 -5.370 1.926 240 HG22 THR 52 HG22 THR 52 -18.657 -5.911 2.256 241 HG23 THR 52 HG23 THR 52 -17.366 -7.094 2.043 242 HA PRO 53 HA PRO 53 -12.154 -5.693 3.009 243 HB2 PRO 53 HB2 PRO 53 -10.774 -6.728 5.139 244 HB3 PRO 53 HB1 PRO 53 -10.938 -5.000 4.814 245 HG2 PRO 53 HG2 PRO 53 -12.461 -6.723 6.722 246 HG3 PRO 53 HG1 PRO 53 -11.848 -5.074 6.942 247 HD2 PRO 53 HD2 PRO 53 -14.440 -5.584 6.397 248 HD3 PRO 53 HD1 PRO 53 -13.618 -4.130 5.795 249 H ASP 54 HN ASP 54 -12.143 -7.364 1.681 250 HA ASP 54 HA ASP 54 -11.956 -10.059 2.749 251 HB2 ASP 54 HB2 ASP 54 -14.414 -9.249 1.970 252 HB3 ASP 54 HB1 ASP 54 -13.780 -9.812 0.426 253 H ARG 55 HN ARG 55 -11.803 -11.582 0.614 254 HA ARG 55 HA ARG 55 -9.339 -11.230 -0.485 255 HB2 ARG 55 HB2 ARG 55 -11.718 -12.796 -1.195 256 HB3 ARG 55 HB1 ARG 55 -10.637 -12.488 -2.548 257 HG2 ARG 55 HG2 ARG 55 -9.661 -14.377 -1.813 258 HG3 ARG 55 HG1 ARG 55 -8.841 -13.262 -0.719 259 HD2 ARG 55 HD2 ARG 55 -11.468 -14.351 0.131 260 HD3 ARG 55 HD1 ARG 55 -10.087 -15.447 0.144 261 HE ARG 55 HE ARG 55 -10.631 -13.421 2.026 262 HH11 ARG 55 HH11 ARG 55 -7.972 -14.832 0.260 263 HH12 ARG 55 HH12 ARG 55 -6.796 -14.435 1.467 264 HH21 ARG 55 HH21 ARG 55 -9.085 -12.898 3.615 265 HH22 ARG 55 HH22 ARG 55 -7.427 -13.337 3.372 266 H ARG 56 HN ARG 56 -12.307 -9.708 -1.482 267 HA ARG 56 HA ARG 56 -11.301 -8.737 -3.986 268 HB2 ARG 56 HB2 ARG 56 -13.359 -7.386 -4.033 269 HB3 ARG 56 HB1 ARG 56 -13.693 -9.074 -3.674 270 HG2 ARG 56 HG2 ARG 56 -13.528 -8.202 -1.184 271 HG3 ARG 56 HG1 ARG 56 -13.960 -6.674 -1.954 272 HD2 ARG 56 HD2 ARG 56 -16.012 -7.618 -1.364 273 HD3 ARG 56 HD1 ARG 56 -15.847 -7.986 -3.078 274 HE ARG 56 HE ARG 56 -15.645 -9.875 -0.854 275 HH11 ARG 56 HH11 ARG 56 -15.560 -9.304 -4.304 276 HH12 ARG 56 HH12 ARG 56 -15.746 -10.977 -4.705 277 HH21 ARG 56 HH21 ARG 56 -15.887 -12.069 -1.391 278 HH22 ARG 56 HH22 ARG 56 -15.931 -12.544 -3.056 279 H PHE 57 HN PHE 57 -11.750 -7.397 -0.751 280 HA PHE 57 HA PHE 57 -10.956 -4.749 -1.346 281 HB2 PHE 57 HB2 PHE 57 -12.156 -5.498 0.734 282 HB3 PHE 57 HB1 PHE 57 -10.657 -6.240 1.273 283 HD1 PHE 57 HD2 PHE 57 -8.574 -4.524 1.182 284 HD2 PHE 57 HD1 PHE 57 -12.673 -3.464 1.614 285 HE1 PHE 57 HE2 PHE 57 -7.911 -2.404 2.233 286 HE2 PHE 57 HE1 PHE 57 -12.017 -1.341 2.671 287 HZ PHE 57 HZ PHE 57 -9.632 -0.808 2.980 288 H ARG 58 HN ARG 58 -9.275 -7.643 -0.316 289 HA ARG 58 HA ARG 58 -6.733 -6.679 0.177 290 HB2 ARG 58 HB2 ARG 58 -8.024 -9.186 -0.270 291 HB3 ARG 58 HB1 ARG 58 -6.537 -9.169 -1.193 292 HG2 ARG 58 HG2 ARG 58 -6.026 -10.104 0.905 293 HG3 ARG 58 HG1 ARG 58 -5.377 -8.465 0.929 294 HD2 ARG 58 HD2 ARG 58 -7.801 -7.966 1.915 295 HD3 ARG 58 HD1 ARG 58 -7.638 -9.641 2.438 296 HE ARG 58 HE ARG 58 -5.329 -8.619 3.273 297 HH11 ARG 58 HH11 ARG 58 -8.589 -7.397 3.570 298 HH12 ARG 58 HH12 ARG 58 -8.267 -6.555 5.048 299 HH21 ARG 58 HH21 ARG 58 -4.913 -7.519 5.213 300 HH22 ARG 58 HH22 ARG 58 -6.180 -6.617 5.975 301 H ALA 59 HN ALA 59 -7.813 -8.193 -2.873 302 HA ALA 59 HA ALA 59 -5.604 -7.524 -4.413 303 HB1 ALA 59 HB1 ALA 59 -7.451 -9.114 -5.024 304 HB2 ALA 59 HB2 ALA 59 -6.916 -8.052 -6.326 305 HB3 ALA 59 HB3 ALA 59 -8.418 -7.709 -5.469 306 H ARG 60 HN ARG 60 -8.587 -5.703 -3.850 307 HA ARG 60 HA ARG 60 -8.255 -3.627 -5.640 308 HB2 ARG 60 HB2 ARG 60 -9.607 -3.921 -3.007 309 HB3 ARG 60 HB1 ARG 60 -9.365 -2.285 -3.604 310 HG2 ARG 60 HG2 ARG 60 -10.832 -2.542 -5.320 311 HG3 ARG 60 HG1 ARG 60 -10.530 -4.273 -5.470 312 HD2 ARG 60 HD2 ARG 60 -11.822 -4.710 -3.478 313 HD3 ARG 60 HD1 ARG 60 -12.033 -2.983 -3.197 314 HE ARG 60 HE ARG 60 -13.732 -2.983 -4.725 315 HH11 ARG 60 HH11 ARG 60 -11.857 -5.896 -5.142 316 HH12 ARG 60 HH12 ARG 60 -12.958 -6.590 -6.284 317 HH21 ARG 60 HH21 ARG 60 -15.181 -3.894 -6.227 318 HH22 ARG 60 HH22 ARG 60 -14.844 -5.454 -6.901 319 H VAL 61 HN VAL 61 -6.953 -3.958 -2.366 320 HA VAL 61 HA VAL 61 -5.592 -1.445 -2.402 321 HB VAL 61 HB VAL 61 -4.942 -3.795 -0.627 322 HG11 VAL 61 HG11 VAL 61 -4.454 -1.853 0.967 323 HG12 VAL 61 HG12 VAL 61 -4.493 -0.832 -0.470 324 HG13 VAL 61 HG13 VAL 61 -3.314 -2.137 -0.348 325 HG21 VAL 61 HG21 VAL 61 -7.381 -2.257 -0.778 326 HG22 VAL 61 HG22 VAL 61 -6.602 -2.079 0.793 327 HG23 VAL 61 HG23 VAL 61 -7.005 -3.684 0.186 328 H ASP 62 HN ASP 62 -4.523 -4.830 -2.673 329 HA ASP 62 HA ASP 62 -1.817 -4.374 -3.047 330 HB2 ASP 62 HB2 ASP 62 -3.237 -6.601 -2.862 331 HB3 ASP 62 HB1 ASP 62 -3.140 -6.544 -4.620 332 H ASP 63 HN ASP 63 -4.462 -4.269 -5.353 333 HA ASP 63 HA ASP 63 -2.805 -3.937 -7.657 334 HB2 ASP 63 HB2 ASP 63 -5.350 -4.668 -7.396 335 HB3 ASP 63 HB1 ASP 63 -5.623 -2.943 -7.609 336 H ALA 64 HN ALA 64 -4.415 -1.808 -5.385 337 HA ALA 64 HA ALA 64 -4.148 0.612 -6.761 338 HB1 ALA 64 HB1 ALA 64 -5.352 -0.031 -4.497 339 HB2 ALA 64 HB2 ALA 64 -4.854 1.625 -4.841 340 HB3 ALA 64 HB3 ALA 64 -3.859 0.602 -3.805 341 H ILE 65 HN ILE 65 -2.070 -0.618 -4.123 342 HA ILE 65 HA ILE 65 -0.079 1.303 -4.307 343 HB ILE 65 HB ILE 65 0.196 -1.606 -3.546 344 HG12 ILE 65 HG12 ILE 65 0.364 -0.134 -1.250 345 HG13 ILE 65 HG11 ILE 65 -0.790 0.812 -2.181 346 HG21 ILE 65 HG21 ILE 65 2.365 -0.632 -4.125 347 HG22 ILE 65 HG22 ILE 65 2.248 -0.948 -2.393 348 HG23 ILE 65 HG23 ILE 65 2.071 0.697 -3.003 349 HD11 ILE 65 HD11 ILE 65 -1.381 -2.018 -2.265 350 HD12 ILE 65 HD12 ILE 65 -2.409 -0.657 -1.817 351 HD13 ILE 65 HD13 ILE 65 -1.340 -1.387 -0.619 352 H ARG 66 HN ARG 66 -0.053 -1.952 -5.752 353 HA ARG 66 HA ARG 66 2.303 -1.874 -7.124 354 HB2 ARG 66 HB2 ARG 66 0.834 -3.837 -7.005 355 HB3 ARG 66 HB1 ARG 66 -0.317 -3.051 -8.073 356 HG2 ARG 66 HG2 ARG 66 0.934 -3.428 -9.929 357 HG3 ARG 66 HG1 ARG 66 2.459 -3.340 -9.048 358 HD2 ARG 66 HD2 ARG 66 2.389 -5.539 -8.427 359 HD3 ARG 66 HD1 ARG 66 0.627 -5.601 -8.450 360 HE ARG 66 HE ARG 66 2.414 -6.141 -10.639 361 HH11 ARG 66 HH11 ARG 66 -0.825 -5.193 -9.751 362 HH12 ARG 66 HH12 ARG 66 -1.527 -5.739 -11.237 363 HH21 ARG 66 HH21 ARG 66 1.493 -6.860 -12.594 364 HH22 ARG 66 HH22 ARG 66 -0.211 -6.686 -12.851 365 H GLU 67 HN GLU 67 -0.837 -0.653 -8.313 366 HA GLU 67 HA GLU 67 0.083 0.195 -10.829 367 HB2 GLU 67 HB2 GLU 67 -2.181 1.198 -9.096 368 HB3 GLU 67 HB1 GLU 67 -1.893 1.780 -10.730 369 HG2 GLU 67 HG2 GLU 67 -2.073 -1.145 -10.393 370 HG3 GLU 67 HG1 GLU 67 -3.558 -0.228 -10.145 371 H GLY 68 HN GLY 68 -0.418 2.100 -7.854 372 HA2 GLY 68 HA2 GLY 68 0.785 4.455 -8.846 373 HA3 GLY 68 HA1 GLY 68 0.561 4.056 -7.146 374 H LEU 69 HN LEU 69 2.071 1.539 -7.474 375 HA LEU 69 HA LEU 69 4.691 2.604 -6.967 376 HB2 LEU 69 HB2 LEU 69 3.338 -0.031 -6.674 377 HB3 LEU 69 HB1 LEU 69 5.064 -0.078 -6.887 378 HG LEU 69 HG LEU 69 3.514 1.209 -4.654 379 HD11 LEU 69 HD11 LEU 69 4.317 -0.431 -3.342 380 HD12 LEU 69 HD12 LEU 69 5.867 -0.487 -4.172 381 HD13 LEU 69 HD13 LEU 69 4.467 -1.299 -4.869 382 HD21 LEU 69 HD21 LEU 69 5.070 2.872 -4.949 383 HD22 LEU 69 HD22 LEU 69 6.276 1.776 -5.621 384 HD23 LEU 69 HD23 LEU 69 5.960 1.781 -3.887 385 H LYS 70 HN LYS 70 3.028 1.099 -9.591 386 HA LYS 70 HA LYS 70 5.357 0.379 -11.101 387 HB2 LYS 70 HB2 LYS 70 3.310 -0.829 -11.485 388 HB3 LYS 70 HB1 LYS 70 2.450 0.658 -11.858 389 HG2 LYS 70 HG2 LYS 70 3.424 0.856 -13.941 390 HG3 LYS 70 HG1 LYS 70 4.800 -0.162 -13.509 391 HD2 LYS 70 HD2 LYS 70 1.975 -1.187 -13.733 392 HD3 LYS 70 HD1 LYS 70 3.130 -1.216 -15.068 393 HE2 LYS 70 HE2 LYS 70 4.679 -2.469 -13.477 394 HE3 LYS 70 HE1 LYS 70 3.264 -2.677 -12.445 395 HZ1 LYS 70 HZ1 LYS 70 2.272 -4.079 -13.929 396 HZ2 LYS 70 HZ2 LYS 70 3.893 -4.461 -14.222 397 HZ3 LYS 70 HZ3 LYS 70 3.066 -3.427 -15.274 398 H ALA 71 HN ALA 71 3.698 3.290 -10.512 399 HA ALA 71 HA ALA 71 4.692 4.517 -12.965 400 HB1 ALA 71 HB1 ALA 71 2.294 4.774 -12.062 401 HB2 ALA 71 HB2 ALA 71 3.126 6.193 -12.700 402 HB3 ALA 71 HB3 ALA 71 3.012 5.947 -10.958 403 H LEU 72 HN LEU 72 5.850 4.082 -9.882 404 HA LEU 72 HA LEU 72 7.360 6.613 -10.030 405 HB2 LEU 72 HB2 LEU 72 7.593 6.240 -7.483 406 HB3 LEU 72 HB1 LEU 72 6.100 6.896 -8.126 407 HG LEU 72 HG LEU 72 5.284 4.441 -8.128 408 HD11 LEU 72 HD11 LEU 72 6.580 2.871 -7.252 409 HD12 LEU 72 HD12 LEU 72 6.838 3.820 -5.790 410 HD13 LEU 72 HD13 LEU 72 7.887 4.050 -7.188 411 HD21 LEU 72 HD21 LEU 72 5.045 4.774 -5.461 412 HD22 LEU 72 HD22 LEU 72 4.075 5.644 -6.649 413 HD23 LEU 72 HD23 LEU 72 5.498 6.407 -5.945 414 H GLY 73 HN GLY 73 7.911 3.641 -10.876 415 HA2 GLY 73 HA2 GLY 73 10.291 3.103 -11.252 416 HA3 GLY 73 HA1 GLY 73 10.574 3.576 -9.595 417 H TYR 74 HN TYR 74 7.852 2.061 -9.116 418 HA TYR 74 HA TYR 74 9.207 -0.491 -8.646 419 HB2 TYR 74 HB2 TYR 74 6.887 0.924 -7.394 420 HB3 TYR 74 HB1 TYR 74 7.070 -0.801 -7.199 421 HD1 TYR 74 HD1 TYR 74 9.851 1.608 -7.381 422 HD2 TYR 74 HD2 TYR 74 7.484 -0.853 -4.863 423 HE1 TYR 74 HE1 TYR 74 11.411 2.022 -5.534 424 HE2 TYR 74 HE2 TYR 74 9.040 -0.457 -2.999 425 HH TYR 74 HH TYR 74 11.487 1.941 -3.132 426 H TYR 75 HN TYR 75 8.991 -1.712 -10.454 427 HA TYR 75 HA TYR 75 6.939 -1.755 -12.275 428 HB2 TYR 75 HB2 TYR 75 9.169 -3.495 -11.580 429 HB3 TYR 75 HB1 TYR 75 7.804 -4.386 -12.246 430 HD1 TYR 75 HD2 TYR 75 6.742 -2.381 -14.171 431 HD2 TYR 75 HD1 TYR 75 10.743 -3.545 -13.307 432 HE1 TYR 75 HE2 TYR 75 7.419 -1.722 -16.442 433 HE2 TYR 75 HE1 TYR 75 11.430 -2.888 -15.575 434 HH TYR 75 HH TYR 75 10.369 -2.599 -17.810 435 H GLN 76 HN GLN 76 7.307 -4.674 -10.309 436 HA GLN 76 HA GLN 76 4.432 -4.542 -9.689 437 HB2 GLN 76 HB2 GLN 76 5.892 -6.987 -10.699 438 HB3 GLN 76 HB1 GLN 76 4.202 -6.924 -10.219 439 HG2 GLN 76 HG2 GLN 76 3.670 -5.471 -12.042 440 HG3 GLN 76 HG1 GLN 76 5.374 -5.301 -12.463 441 HE21 GLN 76 HE21 GLN 76 2.941 -6.366 -13.894 442 HE22 GLN 76 HE22 GLN 76 3.439 -7.909 -14.489 443 HA PRO 77 HA PRO 77 7.262 -5.406 -5.943 444 HB2 PRO 77 HB2 PRO 77 5.152 -3.568 -4.903 445 HB3 PRO 77 HB1 PRO 77 6.878 -3.633 -4.524 446 HG2 PRO 77 HG2 PRO 77 5.890 -1.761 -6.111 447 HG3 PRO 77 HG1 PRO 77 7.465 -2.505 -6.446 448 HD2 PRO 77 HD2 PRO 77 4.843 -2.916 -7.799 449 HD3 PRO 77 HD1 PRO 77 6.486 -2.966 -8.471 450 H THR 78 HN THR 78 6.719 -6.644 -4.137 451 HA THR 78 HA THR 78 4.144 -8.010 -4.327 452 HB THR 78 HB THR 78 6.202 -8.698 -2.265 453 HG1 THR 78 HG1 THR 78 7.378 -9.853 -3.781 454 HG21 THR 78 HG21 THR 78 5.497 -11.019 -3.400 455 HG22 THR 78 HG22 THR 78 4.033 -10.080 -3.691 456 HG23 THR 78 HG23 THR 78 4.635 -10.289 -2.046 457 H ILE 79 HN ILE 79 2.586 -6.811 -3.391 458 HA ILE 79 HA ILE 79 3.160 -5.607 -0.771 459 HB ILE 79 HB ILE 79 0.963 -4.889 -2.715 460 HG12 ILE 79 HG12 ILE 79 2.919 -2.820 -2.236 461 HG13 ILE 79 HG11 ILE 79 3.718 -4.280 -2.807 462 HG21 ILE 79 HG21 ILE 79 1.107 -4.417 0.009 463 HG22 ILE 79 HG22 ILE 79 0.096 -3.557 -1.152 464 HG23 ILE 79 HG23 ILE 79 1.679 -2.914 -0.715 465 HD11 ILE 79 HD11 ILE 79 2.474 -4.283 -4.814 466 HD12 ILE 79 HD12 ILE 79 3.036 -2.627 -4.574 467 HD13 ILE 79 HD13 ILE 79 1.362 -3.056 -4.210 468 H GLU 80 HN GLU 80 2.497 -6.822 0.849 469 HA GLU 80 HA GLU 80 -0.012 -8.331 0.578 470 HB2 GLU 80 HB2 GLU 80 2.467 -8.743 2.201 471 HB3 GLU 80 HB1 GLU 80 0.938 -9.377 2.796 472 HG2 GLU 80 HG2 GLU 80 0.669 -10.734 0.842 473 HG3 GLU 80 HG1 GLU 80 2.076 -9.995 0.081 474 H PHE 81 HN PHE 81 -1.107 -8.611 2.849 475 HA PHE 81 HA PHE 81 -1.011 -6.103 4.349 476 HB2 PHE 81 HB2 PHE 81 -3.620 -7.258 3.369 477 HB3 PHE 81 HB1 PHE 81 -3.363 -5.718 4.184 478 HD1 PHE 81 HD1 PHE 81 -1.481 -4.242 2.909 479 HD2 PHE 81 HD2 PHE 81 -4.062 -7.114 1.127 480 HE1 PHE 81 HE1 PHE 81 -1.225 -3.115 0.738 481 HE2 PHE 81 HE2 PHE 81 -3.809 -5.995 -1.049 482 HZ PHE 81 HZ PHE 81 -2.389 -3.992 -1.244 483 H ASP 82 HN ASP 82 -1.671 -6.220 6.469 484 HA ASP 82 HA ASP 82 -2.438 -8.874 7.479 485 HB2 ASP 82 HB2 ASP 82 -0.036 -8.471 7.910 486 HB3 ASP 82 HB1 ASP 82 -0.449 -6.992 8.771 487 H LEU 83 HN LEU 83 -4.567 -8.352 7.789 488 HA LEU 83 HA LEU 83 -5.459 -5.927 8.948 489 HB2 LEU 83 HB2 LEU 83 -6.708 -7.634 7.466 490 HB3 LEU 83 HB1 LEU 83 -7.004 -8.498 8.957 491 HG LEU 83 HG LEU 83 -8.445 -6.864 9.778 492 HD11 LEU 83 HD11 LEU 83 -8.607 -4.653 8.268 493 HD12 LEU 83 HD12 LEU 83 -6.893 -5.020 8.068 494 HD13 LEU 83 HD13 LEU 83 -7.563 -4.785 9.683 495 HD21 LEU 83 HD21 LEU 83 -8.716 -7.554 6.952 496 HD22 LEU 83 HD22 LEU 83 -9.657 -6.143 7.443 497 HD23 LEU 83 HD23 LEU 83 -9.879 -7.685 8.272 498 H ARG 84 HN ARG 84 -5.812 -5.356 10.997 499 HA ARG 84 HA ARG 84 -5.675 -7.407 13.085 500 HB2 ARG 84 HB2 ARG 84 -4.613 -5.068 14.226 501 HB3 ARG 84 HB1 ARG 84 -3.778 -6.572 13.910 502 HG2 ARG 84 HG2 ARG 84 -3.986 -4.836 11.578 503 HG3 ARG 84 HG1 ARG 84 -3.113 -4.119 12.932 504 HD2 ARG 84 HD2 ARG 84 -2.505 -6.918 12.118 505 HD3 ARG 84 HD1 ARG 84 -1.872 -5.581 11.173 506 HE ARG 84 HE ARG 84 -0.594 -4.888 13.030 507 HH11 ARG 84 HH11 ARG 84 -2.332 -7.866 13.625 508 HH12 ARG 84 HH12 ARG 84 -1.356 -8.302 14.985 509 HH21 ARG 84 HH21 ARG 84 0.681 -5.470 14.817 510 HH22 ARG 84 HH22 ARG 84 0.350 -6.946 15.662 511 HA PRO 85 HA PRO 85 -9.679 -5.194 13.364 512 HB2 PRO 85 HB2 PRO 85 -10.540 -7.102 15.248 513 HB3 PRO 85 HB1 PRO 85 -10.934 -7.047 13.530 514 HG2 PRO 85 HG2 PRO 85 -8.899 -8.663 14.954 515 HG3 PRO 85 HG1 PRO 85 -9.818 -9.043 13.489 516 HD2 PRO 85 HD2 PRO 85 -7.217 -8.369 13.410 517 HD3 PRO 85 HD1 PRO 85 -8.346 -7.904 12.121 518 HA PRO 86 HA PRO 86 -8.879 -4.397 17.934 519 HB2 PRO 86 HB2 PRO 86 -6.974 -5.722 19.276 520 HB3 PRO 86 HB1 PRO 86 -8.519 -6.473 18.867 521 HG2 PRO 86 HG2 PRO 86 -5.845 -6.997 17.769 522 HG3 PRO 86 HG1 PRO 86 -7.298 -8.006 17.713 523 HD2 PRO 86 HD2 PRO 86 -6.239 -6.202 15.686 524 HD3 PRO 86 HD1 PRO 86 -7.564 -7.377 15.551 525 HA PRO 87 HA PRO 87 -5.064 -1.927 16.571 526 HB2 PRO 87 HB2 PRO 87 -6.362 0.475 16.475 527 HB3 PRO 87 HB1 PRO 87 -6.195 -0.597 15.084 528 HG2 PRO 87 HG2 PRO 87 -8.506 -0.261 16.947 529 HG3 PRO 87 HG1 PRO 87 -8.507 -0.413 15.181 530 HD2 PRO 87 HD2 PRO 87 -9.116 -2.484 16.780 531 HD3 PRO 87 HD1 PRO 87 -8.230 -2.713 15.259 532 H LYS 88 HN LYS 88 -4.301 0.157 17.683 533 HA LYS 88 HA LYS 88 -4.838 -0.140 20.538 534 HB2 LYS 88 HB2 LYS 88 -2.690 0.475 20.937 535 HB3 LYS 88 HB1 LYS 88 -2.476 -0.076 19.285 536 HG2 LYS 88 HG2 LYS 88 -2.935 2.796 20.077 537 HG3 LYS 88 HG1 LYS 88 -1.355 2.072 19.786 538 HD2 LYS 88 HD2 LYS 88 -2.853 1.402 17.539 539 HD3 LYS 88 HD1 LYS 88 -3.309 3.069 17.894 540 HE2 LYS 88 HE2 LYS 88 -1.456 3.643 16.789 541 HE3 LYS 88 HE1 LYS 88 -0.582 3.099 18.220 542 HZ1 LYS 88 HZ1 LYS 88 0.087 1.204 17.205 543 HZ2 LYS 88 HZ2 LYS 88 -0.069 2.163 15.821 544 HZ3 LYS 88 HZ3 LYS 88 -1.296 1.077 16.239 545 H LYS 89 HN LYS 89 -5.090 2.192 17.939 546 HA LYS 89 HA LYS 89 -6.419 4.025 19.813 547 HB2 LYS 89 HB2 LYS 89 -4.072 4.731 19.105 548 HB3 LYS 89 HB1 LYS 89 -4.752 4.988 17.504 549 HG2 LYS 89 HG2 LYS 89 -6.279 6.647 18.382 550 HG3 LYS 89 HG1 LYS 89 -5.702 6.342 20.022 551 HD2 LYS 89 HD2 LYS 89 -4.429 8.167 19.518 552 HD3 LYS 89 HD1 LYS 89 -3.364 6.901 18.902 553 HE2 LYS 89 HE2 LYS 89 -3.433 8.476 17.179 554 HE3 LYS 89 HE1 LYS 89 -4.574 7.232 16.670 555 HZ1 LYS 89 HZ1 LYS 89 -6.341 8.599 16.964 556 HZ2 LYS 89 HZ2 LYS 89 -5.181 9.782 16.624 557 HZ3 LYS 89 HZ3 LYS 89 -5.626 9.470 18.226 558 H GLY 90 HN GLY 90 -7.623 2.061 18.035 559 HA2 GLY 90 HA2 GLY 90 -9.523 3.841 16.815 560 HA3 GLY 90 HA1 GLY 90 -8.540 2.983 15.645 561 H ARG 91 HN ARG 91 -10.469 2.018 14.849 562 HA ARG 91 HA ARG 91 -11.759 0.074 16.613 563 HB2 ARG 91 HB2 ARG 91 -12.527 1.326 13.994 564 HB3 ARG 91 HB1 ARG 91 -13.331 -0.125 14.575 565 HG2 ARG 91 HG2 ARG 91 -14.516 2.000 15.098 566 HG3 ARG 91 HG1 ARG 91 -14.146 0.999 16.501 567 HD2 ARG 91 HD2 ARG 91 -12.590 2.465 17.313 568 HD3 ARG 91 HD1 ARG 91 -12.189 3.092 15.717 569 HE ARG 91 HE ARG 91 -14.811 3.842 16.294 570 HH11 ARG 91 HH11 ARG 91 -11.583 4.470 17.464 571 HH12 ARG 91 HH12 ARG 91 -11.961 6.064 18.024 572 HH21 ARG 91 HH21 ARG 91 -15.310 5.940 17.029 573 HH22 ARG 91 HH22 ARG 91 -14.077 6.899 17.777 574 H GLN 92 HN GLN 92 -10.344 0.287 13.355 575 HA GLN 92 HA GLN 92 -9.343 -2.436 13.633 576 HB2 GLN 92 HB2 GLN 92 -11.416 -1.572 11.666 577 HB3 GLN 92 HB1 GLN 92 -10.191 -2.713 11.128 578 HG2 GLN 92 HG2 GLN 92 -10.941 -3.854 13.452 579 HG3 GLN 92 HG1 GLN 92 -12.449 -3.084 12.967 580 HE21 GLN 92 HE21 GLN 92 -9.815 -4.951 11.477 581 HE22 GLN 92 HE22 GLN 92 -10.844 -5.982 10.549 582 H VAL 93 HN VAL 93 -7.341 -2.627 12.786 583 HA VAL 93 HA VAL 93 -6.410 -0.489 10.994 584 HB VAL 93 HB VAL 93 -4.109 -1.226 11.938 585 HG11 VAL 93 HG11 VAL 93 -4.584 0.312 13.996 586 HG12 VAL 93 HG12 VAL 93 -6.147 0.535 13.209 587 HG13 VAL 93 HG13 VAL 93 -4.662 0.965 12.360 588 HG21 VAL 93 HG21 VAL 93 -4.232 -1.928 14.310 589 HG22 VAL 93 HG22 VAL 93 -4.813 -3.148 13.179 590 HG23 VAL 93 HG23 VAL 93 -5.964 -2.185 14.101 591 H LEU 94 HN LEU 94 -4.993 -1.036 9.330 592 HA LEU 94 HA LEU 94 -4.589 -3.887 8.795 593 HB2 LEU 94 HB2 LEU 94 -6.607 -2.917 7.568 594 HB3 LEU 94 HB1 LEU 94 -5.465 -1.958 6.654 595 HG LEU 94 HG LEU 94 -6.311 -4.676 6.233 596 HD11 LEU 94 HD11 LEU 94 -4.393 -3.021 4.614 597 HD12 LEU 94 HD12 LEU 94 -6.141 -2.783 4.596 598 HD13 LEU 94 HD13 LEU 94 -5.454 -4.315 4.054 599 HD21 LEU 94 HD21 LEU 94 -3.321 -4.329 6.279 600 HD22 LEU 94 HD22 LEU 94 -4.230 -5.782 5.878 601 HD23 LEU 94 HD23 LEU 94 -4.227 -5.177 7.530 602 H ILE 95 HN ILE 95 -2.500 -4.270 8.410 603 HA ILE 95 HA ILE 95 -0.739 -2.034 7.793 604 HB ILE 95 HB ILE 95 0.027 -4.901 8.343 605 HG12 ILE 95 HG12 ILE 95 -0.152 -2.559 10.253 606 HG13 ILE 95 HG11 ILE 95 -1.226 -3.955 10.236 607 HG21 ILE 95 HG21 ILE 95 1.626 -2.346 8.454 608 HG22 ILE 95 HG22 ILE 95 1.742 -3.589 7.208 609 HG23 ILE 95 HG23 ILE 95 2.219 -3.955 8.866 610 HD11 ILE 95 HD11 ILE 95 1.683 -4.449 10.517 611 HD12 ILE 95 HD12 ILE 95 0.311 -5.319 11.204 612 HD13 ILE 95 HD13 ILE 95 0.813 -3.776 11.895 613 H ALA 96 HN ALA 96 0.675 -1.967 6.038 614 HA ALA 96 HA ALA 96 0.213 -3.928 3.896 615 HB1 ALA 96 HB1 ALA 96 -1.017 -2.326 2.890 616 HB2 ALA 96 HB2 ALA 96 0.561 -1.682 2.441 617 HB3 ALA 96 HB3 ALA 96 -0.294 -1.027 3.837 618 H LYS 97 HN LYS 97 2.088 -4.840 3.392 619 HA LYS 97 HA LYS 97 4.531 -3.194 3.534 620 HB2 LYS 97 HB2 LYS 97 4.469 -6.186 3.872 621 HB3 LYS 97 HB1 LYS 97 5.778 -5.078 4.256 622 HG2 LYS 97 HG2 LYS 97 5.007 -5.381 6.351 623 HG3 LYS 97 HG1 LYS 97 3.897 -4.093 5.880 624 HD2 LYS 97 HD2 LYS 97 2.567 -5.785 6.865 625 HD3 LYS 97 HD1 LYS 97 2.310 -5.910 5.123 626 HE2 LYS 97 HE2 LYS 97 4.216 -7.652 5.204 627 HE3 LYS 97 HE1 LYS 97 3.886 -7.702 6.936 628 HZ1 LYS 97 HZ1 LYS 97 2.660 -9.271 5.216 629 HZ2 LYS 97 HZ2 LYS 97 1.600 -7.955 5.142 630 HZ3 LYS 97 HZ3 LYS 97 1.902 -8.714 6.623 631 H VAL 98 HN VAL 98 5.608 -2.931 1.694 632 HA VAL 98 HA VAL 98 4.936 -4.684 -0.574 633 HB VAL 98 HB VAL 98 4.430 -2.316 -0.927 634 HG11 VAL 98 HG11 VAL 98 7.154 -1.356 -1.138 635 HG12 VAL 98 HG12 VAL 98 6.759 -1.862 0.503 636 HG13 VAL 98 HG13 VAL 98 5.768 -0.650 -0.307 637 HG21 VAL 98 HG21 VAL 98 4.944 -2.568 -3.075 638 HG22 VAL 98 HG22 VAL 98 5.903 -3.974 -2.619 639 HG23 VAL 98 HG23 VAL 98 6.666 -2.390 -2.745 640 H THR 99 HN THR 99 6.559 -5.629 -1.809 641 HA THR 99 HA THR 99 9.337 -5.167 -1.051 642 HB THR 99 HB THR 99 8.077 -7.914 -0.985 643 HG1 THR 99 HG1 THR 99 7.572 -6.714 0.860 644 HG21 THR 99 HG21 THR 99 10.825 -7.265 -0.019 645 HG22 THR 99 HG22 THR 99 10.536 -7.679 -1.709 646 HG23 THR 99 HG23 THR 99 10.123 -8.828 -0.436 647 HA PRO 100 HA PRO 100 9.086 -5.975 -5.536 648 HB2 PRO 100 HB2 PRO 100 10.205 -3.561 -6.253 649 HB3 PRO 100 HB1 PRO 100 8.484 -3.873 -6.080 650 HG2 PRO 100 HG2 PRO 100 10.130 -2.184 -4.468 651 HG3 PRO 100 HG1 PRO 100 8.403 -2.512 -4.280 652 HD2 PRO 100 HD2 PRO 100 10.712 -3.693 -2.854 653 HD3 PRO 100 HD1 PRO 100 9.020 -3.530 -2.333 654 H GLY 101 HN GLY 101 11.747 -3.733 -4.852 655 HA2 GLY 101 HA2 GLY 101 14.001 -4.599 -4.372 656 HA3 GLY 101 HA1 GLY 101 13.646 -5.901 -5.494 657 H VAL 102 HN VAL 102 12.306 -3.879 -7.329 658 HA VAL 102 HA VAL 102 14.807 -2.772 -8.433 659 HB VAL 102 HB VAL 102 13.778 -4.606 -9.774 660 HG11 VAL 102 HG11 VAL 102 11.422 -4.036 -9.274 661 HG12 VAL 102 HG12 VAL 102 11.737 -4.214 -11.001 662 HG13 VAL 102 HG13 VAL 102 11.581 -2.604 -10.294 663 HG21 VAL 102 HG21 VAL 102 15.068 -2.442 -10.623 664 HG22 VAL 102 HG22 VAL 102 13.540 -2.180 -11.464 665 HG23 VAL 102 HG23 VAL 102 14.451 -3.666 -11.733 666 H LEU 103 HN LEU 103 14.813 -0.732 -9.350 667 HA LEU 103 HA LEU 103 12.365 0.844 -9.229 668 HB2 LEU 103 HB2 LEU 103 13.403 1.313 -7.101 669 HB3 LEU 103 HB1 LEU 103 14.935 1.654 -7.883 670 HG LEU 103 HG LEU 103 13.306 3.445 -9.135 671 HD11 LEU 103 HD11 LEU 103 12.431 3.647 -6.289 672 HD12 LEU 103 HD12 LEU 103 11.532 2.641 -7.426 673 HD13 LEU 103 HD13 LEU 103 11.726 4.366 -7.737 674 HD21 LEU 103 HD21 LEU 103 14.653 4.985 -8.195 675 HD22 LEU 103 HD22 LEU 103 15.546 3.557 -7.674 676 HD23 LEU 103 HD23 LEU 103 14.429 4.351 -6.565 677 H GLU 104 HN GLU 104 12.209 2.401 -10.789 678 HA GLU 104 HA GLU 104 13.795 2.151 -13.089 679 HB2 GLU 104 HB2 GLU 104 12.572 4.059 -13.952 680 HB3 GLU 104 HB1 GLU 104 11.470 2.993 -13.091 681 HG2 GLU 104 HG2 GLU 104 11.828 4.535 -11.088 682 HG3 GLU 104 HG1 GLU 104 12.536 5.662 -12.245 683 H HIS 105 HN HIS 105 14.876 4.113 -14.146 684 HA HIS 105 HA HIS 105 16.105 6.058 -12.466 685 HB2 HIS 105 HB2 HIS 105 18.465 5.209 -12.869 686 HB3 HIS 105 HB1 HIS 105 17.515 4.312 -11.689 687 HD1 HIS 105 HD1 HIS 105 17.885 1.890 -11.920 688 HD2 HIS 105 HD2 HIS 105 18.039 3.820 -15.597 689 HE1 HIS 105 HE1 HIS 105 18.328 0.081 -13.610 690 HE2 HIS 105 HE2 HIS 105 18.501 1.284 -15.817 691 H HIS 106 HN HIS 106 17.164 7.654 -13.633 692 HA HIS 106 HA HIS 106 16.793 7.481 -16.536 693 HB2 HIS 106 HB2 HIS 106 16.807 9.705 -14.559 694 HB3 HIS 106 HB1 HIS 106 17.388 10.064 -16.182 695 HD1 HIS 106 HD1 HIS 106 15.603 9.373 -18.149 696 HD2 HIS 106 HD2 HIS 106 14.114 9.851 -14.299 697 HE1 HIS 106 HE1 HIS 106 13.123 9.685 -18.422 698 HE2 HIS 106 HE2 HIS 106 12.232 9.885 -16.074 699 H HIS 107 HN HIS 107 19.210 8.162 -14.068 700 HA HIS 107 HA HIS 107 21.294 7.775 -16.097 701 HB2 HIS 107 HB2 HIS 107 21.211 9.996 -14.048 702 HB3 HIS 107 HB1 HIS 107 22.642 9.573 -14.982 703 HD1 HIS 107 HD1 HIS 107 21.631 9.340 -17.777 704 HD2 HIS 107 HD2 HIS 107 20.254 12.260 -15.161 705 HE1 HIS 107 HE1 HIS 107 20.714 11.171 -19.236 706 HE2 HIS 107 HE2 HIS 107 19.809 12.888 -17.631 707 H HIS 108 HN HIS 108 23.389 7.173 -15.178 708 HA HIS 108 HA HIS 108 23.398 6.246 -12.426 709 HB2 HIS 108 HB2 HIS 108 22.390 4.411 -13.881 710 HB3 HIS 108 HB1 HIS 108 23.976 4.268 -14.630 711 HD1 HIS 108 HD1 HIS 108 24.816 4.981 -11.316 712 HD2 HIS 108 HD2 HIS 108 23.246 1.620 -13.188 713 HE1 HIS 108 HE1 HIS 108 25.317 3.058 -9.775 714 HE2 HIS 108 HE2 HIS 108 24.434 1.023 -10.969 715 H HIS 109 HN HIS 109 25.197 7.244 -11.770 716 HA HIS 109 HA HIS 109 27.381 7.850 -11.589 717 HB2 HIS 109 HB2 HIS 109 27.424 5.203 -12.158 718 HB3 HIS 109 HB1 HIS 109 28.353 5.826 -13.517 719 HD1 HIS 109 HD1 HIS 109 28.436 5.555 -9.771 720 HD2 HIS 109 HD2 HIS 109 30.905 6.722 -12.902 721 HE1 HIS 109 HE1 HIS 109 30.720 5.835 -8.757 722 HE2 HIS 109 HE2 HIS 109 32.215 6.456 -10.688 723 H HIS 110 HN HIS 110 29.406 8.421 -12.973 724 HA HIS 110 HA HIS 110 28.474 10.161 -15.076 725 HB2 HIS 110 HB2 HIS 110 31.280 9.689 -14.048 726 HB3 HIS 110 HB1 HIS 110 30.780 10.994 -15.118 727 HD1 HIS 110 HD1 HIS 110 31.843 10.833 -11.918 728 HD2 HIS 110 HD2 HIS 110 28.240 12.166 -13.504 729 HE1 HIS 110 HE1 HIS 110 30.882 12.387 -10.190 730 HE2 HIS 110 HE2 HIS 110 28.745 13.248 -11.210 Start of MODEL 7 1 H1 ALA 22 HT1 ALA 22 -14.207 1.911 9.652 2 H2 ALA 22 HT2 ALA 22 -15.868 2.221 9.349 3 H3 ALA 22 HT3 ALA 22 -15.374 1.578 10.862 4 HA ALA 22 HA ALA 22 -14.978 4.265 9.769 5 HB1 ALA 22 HB1 ALA 22 -17.040 3.865 10.982 6 HB2 ALA 22 HB2 ALA 22 -15.977 4.918 11.915 7 HB3 ALA 22 HB3 ALA 22 -16.134 3.216 12.349 8 H ASN 23 HN ASN 23 -13.328 5.511 10.474 9 HA ASN 23 HA ASN 23 -11.320 6.079 11.378 10 HB2 ASN 23 HB2 ASN 23 -12.552 4.429 13.553 11 HB3 ASN 23 HB1 ASN 23 -10.877 4.951 13.711 12 HD21 ASN 23 HD21 ASN 23 -10.759 6.637 14.989 13 HD22 ASN 23 HD22 ASN 23 -11.836 7.988 15.001 14 H VAL 24 HN VAL 24 -10.185 5.041 9.670 15 HA VAL 24 HA VAL 24 -8.508 2.867 10.612 16 HB VAL 24 HB VAL 24 -8.840 1.459 8.660 17 HG11 VAL 24 HG11 VAL 24 -11.556 2.031 9.816 18 HG12 VAL 24 HG12 VAL 24 -10.275 1.245 10.739 19 HG13 VAL 24 HG13 VAL 24 -10.899 0.487 9.274 20 HG21 VAL 24 HG21 VAL 24 -9.478 3.260 7.093 21 HG22 VAL 24 HG22 VAL 24 -11.056 3.348 7.875 22 HG23 VAL 24 HG23 VAL 24 -10.572 1.878 7.029 23 H ARG 25 HN ARG 25 -6.532 2.727 9.580 24 HA ARG 25 HA ARG 25 -5.960 4.456 7.316 25 HB2 ARG 25 HB2 ARG 25 -5.063 4.996 10.086 26 HB3 ARG 25 HB1 ARG 25 -3.830 5.135 8.840 27 HG2 ARG 25 HG2 ARG 25 -6.477 6.561 8.755 28 HG3 ARG 25 HG1 ARG 25 -4.987 7.264 9.387 29 HD2 ARG 25 HD2 ARG 25 -4.207 6.304 6.938 30 HD3 ARG 25 HD1 ARG 25 -5.852 6.857 6.626 31 HE ARG 25 HE ARG 25 -5.051 8.981 6.703 32 HH11 ARG 25 HH11 ARG 25 -2.936 6.969 8.615 33 HH12 ARG 25 HH12 ARG 25 -1.839 8.257 8.985 34 HH21 ARG 25 HH21 ARG 25 -3.610 10.677 7.189 35 HH22 ARG 25 HH22 ARG 25 -2.222 10.362 8.176 36 H LEU 26 HN LEU 26 -4.826 3.244 5.943 37 HA LEU 26 HA LEU 26 -3.659 0.782 6.713 38 HB2 LEU 26 HB2 LEU 26 -4.265 2.118 4.272 39 HB3 LEU 26 HB1 LEU 26 -2.583 1.619 4.215 40 HG LEU 26 HG LEU 26 -3.400 -0.688 4.931 41 HD11 LEU 26 HD11 LEU 26 -5.748 -1.169 4.302 42 HD12 LEU 26 HD12 LEU 26 -6.017 0.565 4.133 43 HD13 LEU 26 HD13 LEU 26 -5.589 -0.113 5.704 44 HD21 LEU 26 HD21 LEU 26 -2.851 -0.995 2.799 45 HD22 LEU 26 HD22 LEU 26 -3.411 0.616 2.353 46 HD23 LEU 26 HD23 LEU 26 -4.549 -0.728 2.406 47 H GLN 27 HN GLN 27 -1.486 0.126 6.616 48 HA GLN 27 HA GLN 27 0.396 2.287 7.287 49 HB2 GLN 27 HB2 GLN 27 0.501 -0.653 7.983 50 HB3 GLN 27 HB1 GLN 27 1.717 0.535 8.429 51 HG2 GLN 27 HG2 GLN 27 -0.363 1.753 9.493 52 HG3 GLN 27 HG1 GLN 27 -1.015 0.115 9.506 53 HE21 GLN 27 HE21 GLN 27 1.352 2.272 10.812 54 HE22 GLN 27 HE22 GLN 27 1.903 1.237 12.082 55 H VAL 28 HN VAL 28 1.960 2.743 5.899 56 HA VAL 28 HA VAL 28 2.427 0.941 3.650 57 HB VAL 28 HB VAL 28 4.002 2.974 2.996 58 HG11 VAL 28 HG11 VAL 28 1.516 4.011 2.323 59 HG12 VAL 28 HG12 VAL 28 1.242 2.277 2.502 60 HG13 VAL 28 HG13 VAL 28 2.477 2.865 1.389 61 HG21 VAL 28 HG21 VAL 28 1.924 4.331 4.709 62 HG22 VAL 28 HG22 VAL 28 3.183 5.105 3.747 63 HG23 VAL 28 HG23 VAL 28 3.620 4.140 5.156 64 H GLU 29 HN GLU 29 4.193 -0.262 3.411 65 HA GLU 29 HA GLU 29 6.610 0.403 4.914 66 HB2 GLU 29 HB2 GLU 29 4.943 -2.037 5.264 67 HB3 GLU 29 HB1 GLU 29 6.689 -2.236 5.296 68 HG2 GLU 29 HG2 GLU 29 6.764 -0.458 7.058 69 HG3 GLU 29 HG1 GLU 29 5.004 -0.534 7.110 70 H GLY 30 HN GLY 30 8.303 0.339 3.611 71 HA2 GLY 30 HA2 GLY 30 9.773 -0.794 2.133 72 HA3 GLY 30 HA1 GLY 30 8.405 -1.679 1.480 73 H LEU 31 HN LEU 31 8.677 1.794 1.983 74 HA LEU 31 HA LEU 31 8.908 2.220 -0.893 75 HB2 LEU 31 HB2 LEU 31 6.847 3.689 0.715 76 HB3 LEU 31 HB1 LEU 31 7.058 3.674 -1.020 77 HG LEU 31 HG LEU 31 6.355 1.162 0.451 78 HD11 LEU 31 HD11 LEU 31 4.537 3.386 -0.403 79 HD12 LEU 31 HD12 LEU 31 4.632 2.580 1.161 80 HD13 LEU 31 HD13 LEU 31 3.977 1.723 -0.233 81 HD21 LEU 31 HD21 LEU 31 6.375 2.136 -2.358 82 HD22 LEU 31 HD22 LEU 31 5.170 0.935 -1.888 83 HD23 LEU 31 HD23 LEU 31 6.888 0.585 -1.695 84 H SER 32 HN SER 32 9.643 4.314 -1.478 85 HA SER 32 HA SER 32 10.540 6.067 0.678 86 HB2 SER 32 HB2 SER 32 12.306 4.567 -1.219 87 HB3 SER 32 HB1 SER 32 12.813 6.148 -0.622 88 HG SER 32 HG SER 32 12.355 5.215 1.536 89 H GLY 33 HN GLY 33 11.892 7.951 -0.493 90 HA2 GLY 33 HA2 GLY 33 11.542 9.906 -1.668 91 HA3 GLY 33 HA1 GLY 33 11.520 8.813 -3.042 92 H GLN 34 HN GLN 34 9.777 8.883 -4.273 93 HA GLN 34 HA GLN 34 7.406 10.273 -3.305 94 HB2 GLN 34 HB2 GLN 34 8.606 10.599 -5.610 95 HB3 GLN 34 HB1 GLN 34 7.690 9.174 -6.079 96 HG2 GLN 34 HG2 GLN 34 6.555 11.234 -6.715 97 HG3 GLN 34 HG1 GLN 34 5.612 10.301 -5.555 98 HE21 GLN 34 HE21 GLN 34 8.342 12.520 -5.138 99 HE22 GLN 34 HE22 GLN 34 7.525 13.600 -4.066 100 H LEU 35 HN LEU 35 8.532 7.095 -3.781 101 HA LEU 35 HA LEU 35 6.240 5.688 -4.474 102 HB2 LEU 35 HB2 LEU 35 8.219 4.665 -2.489 103 HB3 LEU 35 HB1 LEU 35 7.340 3.760 -3.682 104 HG LEU 35 HG LEU 35 9.804 5.402 -3.987 105 HD11 LEU 35 HD11 LEU 35 9.452 3.050 -5.651 106 HD12 LEU 35 HD12 LEU 35 9.256 2.700 -3.933 107 HD13 LEU 35 HD13 LEU 35 10.741 3.452 -4.515 108 HD21 LEU 35 HD21 LEU 35 7.592 5.467 -5.829 109 HD22 LEU 35 HD22 LEU 35 9.021 4.757 -6.573 110 HD23 LEU 35 HD23 LEU 35 9.107 6.366 -5.857 111 H GLU 36 HN GLU 36 7.559 6.086 -1.199 112 HA GLU 36 HA GLU 36 5.429 5.060 0.225 113 HB2 GLU 36 HB2 GLU 36 7.183 5.405 1.623 114 HB3 GLU 36 HB1 GLU 36 7.706 6.852 0.783 115 HG2 GLU 36 HG2 GLU 36 7.093 7.419 3.015 116 HG3 GLU 36 HG1 GLU 36 5.903 8.109 1.912 117 H LYS 37 HN LYS 37 5.864 8.261 -1.136 118 HA LYS 37 HA LYS 37 3.601 9.445 0.138 119 HB2 LYS 37 HB2 LYS 37 4.660 10.447 -2.476 120 HB3 LYS 37 HB1 LYS 37 4.067 11.356 -1.094 121 HG2 LYS 37 HG2 LYS 37 6.135 10.531 0.136 122 HG3 LYS 37 HG1 LYS 37 6.730 10.026 -1.447 123 HD2 LYS 37 HD2 LYS 37 7.576 12.238 -0.866 124 HD3 LYS 37 HD1 LYS 37 6.502 12.325 -2.263 125 HE2 LYS 37 HE2 LYS 37 4.953 13.539 -1.160 126 HE3 LYS 37 HE1 LYS 37 5.202 12.672 0.355 127 HZ1 LYS 37 HZ1 LYS 37 5.935 15.169 0.043 128 HZ2 LYS 37 HZ2 LYS 37 7.341 14.443 -0.555 129 HZ3 LYS 37 HZ3 LYS 37 6.816 14.101 1.016 130 H ASN 38 HN ASN 38 4.178 8.135 -3.121 131 HA ASN 38 HA ASN 38 1.653 8.622 -4.194 132 HB2 ASN 38 HB2 ASN 38 3.959 7.443 -5.099 133 HB3 ASN 38 HB1 ASN 38 2.860 6.069 -5.019 134 HD21 ASN 38 HD21 ASN 38 3.725 8.923 -6.677 135 HD22 ASN 38 HD22 ASN 38 2.518 8.846 -7.911 136 H VAL 39 HN VAL 39 2.860 5.688 -2.579 137 HA VAL 39 HA VAL 39 0.480 4.229 -2.676 138 HB VAL 39 HB VAL 39 2.586 4.097 -0.513 139 HG11 VAL 39 HG11 VAL 39 1.813 1.685 -0.440 140 HG12 VAL 39 HG12 VAL 39 0.423 2.201 -1.396 141 HG13 VAL 39 HG13 VAL 39 0.691 2.882 0.209 142 HG21 VAL 39 HG21 VAL 39 3.190 2.048 -2.111 143 HG22 VAL 39 HG22 VAL 39 3.885 3.655 -2.325 144 HG23 VAL 39 HG23 VAL 39 2.519 3.144 -3.317 145 H ARG 40 HN ARG 40 1.640 6.620 -0.343 146 HA ARG 40 HA ARG 40 -0.265 6.277 1.661 147 HB2 ARG 40 HB2 ARG 40 1.476 8.492 0.751 148 HB3 ARG 40 HB1 ARG 40 0.079 8.967 1.708 149 HG2 ARG 40 HG2 ARG 40 1.854 6.770 2.669 150 HG3 ARG 40 HG1 ARG 40 2.343 8.453 2.870 151 HD2 ARG 40 HD2 ARG 40 1.041 8.616 4.659 152 HD3 ARG 40 HD1 ARG 40 -0.368 8.241 3.669 153 HE ARG 40 HE ARG 40 0.688 5.806 4.168 154 HH11 ARG 40 HH11 ARG 40 -0.183 8.484 6.230 155 HH12 ARG 40 HH12 ARG 40 -0.566 7.478 7.586 156 HH21 ARG 40 HH21 ARG 40 0.184 4.481 5.951 157 HH22 ARG 40 HH22 ARG 40 -0.357 5.206 7.428 158 H ALA 41 HN ALA 41 -0.393 8.320 -1.249 159 HA ALA 41 HA ALA 41 -2.940 9.405 -0.841 160 HB1 ALA 41 HB1 ALA 41 -2.832 9.260 -3.537 161 HB2 ALA 41 HB2 ALA 41 -1.125 9.061 -3.140 162 HB3 ALA 41 HB3 ALA 41 -1.998 10.490 -2.587 163 H GLN 42 HN GLN 42 -1.888 6.409 -2.384 164 HA GLN 42 HA GLN 42 -4.454 5.563 -3.232 165 HB2 GLN 42 HB2 GLN 42 -1.831 4.169 -2.776 166 HB3 GLN 42 HB1 GLN 42 -3.278 3.242 -3.148 167 HG2 GLN 42 HG2 GLN 42 -2.585 3.515 -5.262 168 HG3 GLN 42 HG1 GLN 42 -3.389 5.076 -5.107 169 HE21 GLN 42 HE21 GLN 42 -0.264 3.483 -4.676 170 HE22 GLN 42 HE22 GLN 42 0.695 4.855 -5.103 171 H LEU 43 HN LEU 43 -2.552 5.076 -0.311 172 HA LEU 43 HA LEU 43 -4.077 3.164 0.999 173 HB2 LEU 43 HB2 LEU 43 -2.588 5.521 2.148 174 HB3 LEU 43 HB1 LEU 43 -3.204 4.184 3.093 175 HG LEU 43 HG LEU 43 -0.766 4.377 1.478 176 HD11 LEU 43 HD11 LEU 43 -0.657 2.184 3.166 177 HD12 LEU 43 HD12 LEU 43 -1.690 3.336 4.010 178 HD13 LEU 43 HD13 LEU 43 -0.069 3.811 3.507 179 HD21 LEU 43 HD21 LEU 43 -2.558 1.973 1.242 180 HD22 LEU 43 HD22 LEU 43 -0.813 1.883 1.013 181 HD23 LEU 43 HD23 LEU 43 -1.789 2.898 -0.048 182 H SER 44 HN SER 44 -4.576 6.625 0.679 183 HA SER 44 HA SER 44 -6.782 6.689 2.524 184 HB2 SER 44 HB2 SER 44 -6.939 9.006 2.023 185 HB3 SER 44 HB1 SER 44 -5.216 8.630 1.999 186 HG SER 44 HG SER 44 -5.156 8.974 -0.097 187 H THR 45 HN THR 45 -6.388 6.455 -0.970 188 HA THR 45 HA THR 45 -9.176 6.843 -1.515 189 HB THR 45 HB THR 45 -7.141 7.258 -3.072 190 HG1 THR 45 HG1 THR 45 -8.961 7.691 -4.059 191 HG21 THR 45 HG21 THR 45 -7.684 4.751 -4.435 192 HG22 THR 45 HG22 THR 45 -6.809 4.546 -2.919 193 HG23 THR 45 HG23 THR 45 -6.161 5.599 -4.176 194 H ILE 46 HN ILE 46 -7.419 4.208 -0.334 195 HA ILE 46 HA ILE 46 -8.543 1.997 -1.565 196 HB ILE 46 HB ILE 46 -7.947 2.210 1.386 197 HG12 ILE 46 HG12 ILE 46 -6.149 1.658 -0.979 198 HG13 ILE 46 HG11 ILE 46 -6.002 2.953 0.205 199 HG21 ILE 46 HG21 ILE 46 -8.189 -0.118 -0.507 200 HG22 ILE 46 HG22 ILE 46 -9.119 0.194 0.957 201 HG23 ILE 46 HG23 ILE 46 -7.416 -0.240 1.074 202 HD11 ILE 46 HD11 ILE 46 -4.368 1.124 0.488 203 HD12 ILE 46 HD12 ILE 46 -5.711 0.039 0.847 204 HD13 ILE 46 HD13 ILE 46 -5.375 1.407 1.907 205 H GLU 47 HN GLU 47 -10.197 0.507 -0.725 206 HA GLU 47 HA GLU 47 -12.682 1.835 -0.362 207 HB2 GLU 47 HB2 GLU 47 -12.132 -1.112 -0.024 208 HB3 GLU 47 HB1 GLU 47 -13.670 -0.350 -0.406 209 HG2 GLU 47 HG2 GLU 47 -11.504 0.229 -2.295 210 HG3 GLU 47 HG1 GLU 47 -12.001 -1.461 -2.221 211 H SER 48 HN SER 48 -10.323 1.358 1.857 212 HA SER 48 HA SER 48 -11.626 0.267 4.081 213 HB2 SER 48 HB2 SER 48 -9.678 2.311 4.789 214 HB3 SER 48 HB1 SER 48 -9.636 0.571 5.070 215 HG SER 48 HG SER 48 -8.168 1.895 3.392 216 H ASP 49 HN ASP 49 -12.821 2.782 2.522 217 HA ASP 49 HA ASP 49 -13.187 4.716 4.586 218 HB2 ASP 49 HB2 ASP 49 -14.233 4.304 1.824 219 HB3 ASP 49 HB1 ASP 49 -15.121 5.385 2.894 220 H GLU 50 HN GLU 50 -13.926 2.043 5.393 221 HA GLU 50 HA GLU 50 -15.454 1.260 6.898 222 HB2 GLU 50 HB2 GLU 50 -17.519 3.175 5.833 223 HB3 GLU 50 HB1 GLU 50 -17.491 2.341 7.376 224 HG2 GLU 50 HG2 GLU 50 -16.338 3.962 8.349 225 HG3 GLU 50 HG1 GLU 50 -15.163 4.016 7.036 226 H VAL 51 HN VAL 51 -15.014 -0.389 5.177 227 HA VAL 51 HA VAL 51 -17.567 -1.184 3.972 228 HB VAL 51 HB VAL 51 -16.563 -1.897 1.941 229 HG11 VAL 51 HG11 VAL 51 -15.523 0.828 2.701 230 HG12 VAL 51 HG12 VAL 51 -17.086 0.452 1.975 231 HG13 VAL 51 HG13 VAL 51 -15.603 0.206 1.053 232 HG21 VAL 51 HG21 VAL 51 -14.018 -1.314 1.658 233 HG22 VAL 51 HG22 VAL 51 -14.517 -2.838 2.392 234 HG23 VAL 51 HG23 VAL 51 -14.002 -1.495 3.412 235 H THR 52 HN THR 52 -16.794 -3.601 2.898 236 HA THR 52 HA THR 52 -16.175 -5.123 5.328 237 HB THR 52 HB THR 52 -17.462 -5.993 2.733 238 HG1 THR 52 HG1 THR 52 -19.014 -4.951 3.769 239 HG21 THR 52 HG21 THR 52 -16.756 -7.527 5.195 240 HG22 THR 52 HG22 THR 52 -16.548 -7.970 3.501 241 HG23 THR 52 HG23 THR 52 -18.157 -7.973 4.223 242 HA PRO 53 HA PRO 53 -12.218 -5.612 3.099 243 HB2 PRO 53 HB2 PRO 53 -10.770 -6.275 5.297 244 HB3 PRO 53 HB1 PRO 53 -11.137 -4.604 4.855 245 HG2 PRO 53 HG2 PRO 53 -12.478 -6.370 6.865 246 HG3 PRO 53 HG1 PRO 53 -12.026 -4.660 7.002 247 HD2 PRO 53 HD2 PRO 53 -14.556 -5.458 6.459 248 HD3 PRO 53 HD1 PRO 53 -13.874 -3.947 5.823 249 H ASP 54 HN ASP 54 -12.091 -7.423 1.972 250 HA ASP 54 HA ASP 54 -11.732 -9.955 3.343 251 HB2 ASP 54 HB2 ASP 54 -14.061 -9.286 1.622 252 HB3 ASP 54 HB1 ASP 54 -13.328 -10.870 1.386 253 H ARG 55 HN ARG 55 -11.463 -11.700 1.399 254 HA ARG 55 HA ARG 55 -9.019 -11.324 0.274 255 HB2 ARG 55 HB2 ARG 55 -11.026 -13.259 0.095 256 HB3 ARG 55 HB1 ARG 55 -10.694 -12.807 -1.572 257 HG2 ARG 55 HG2 ARG 55 -9.232 -14.558 -1.200 258 HG3 ARG 55 HG1 ARG 55 -8.219 -13.137 -0.937 259 HD2 ARG 55 HD2 ARG 55 -7.976 -13.555 1.267 260 HD3 ARG 55 HD1 ARG 55 -9.628 -14.147 1.442 261 HE ARG 55 HE ARG 55 -8.177 -16.029 -0.029 262 HH11 ARG 55 HH11 ARG 55 -8.270 -14.704 3.199 263 HH12 ARG 55 HH12 ARG 55 -7.663 -16.145 3.942 264 HH21 ARG 55 HH21 ARG 55 -7.380 -17.926 0.948 265 HH22 ARG 55 HH22 ARG 55 -7.158 -17.974 2.665 266 H ARG 56 HN ARG 56 -12.055 -10.086 -0.896 267 HA ARG 56 HA ARG 56 -11.050 -9.330 -3.479 268 HB2 ARG 56 HB2 ARG 56 -13.204 -8.115 -3.690 269 HB3 ARG 56 HB1 ARG 56 -13.407 -9.806 -3.255 270 HG2 ARG 56 HG2 ARG 56 -13.341 -8.633 -0.806 271 HG3 ARG 56 HG1 ARG 56 -14.108 -7.376 -1.778 272 HD2 ARG 56 HD2 ARG 56 -15.952 -8.581 -1.176 273 HD3 ARG 56 HD1 ARG 56 -15.524 -9.413 -2.670 274 HE ARG 56 HE ARG 56 -14.292 -10.569 -0.358 275 HH11 ARG 56 HH11 ARG 56 -17.215 -10.482 -2.262 276 HH12 ARG 56 HH12 ARG 56 -17.734 -12.057 -1.767 277 HH21 ARG 56 HH21 ARG 56 -14.972 -12.642 0.295 278 HH22 ARG 56 HH22 ARG 56 -16.461 -13.284 -0.314 279 H PHE 57 HN PHE 57 -11.648 -7.705 -0.405 280 HA PHE 57 HA PHE 57 -11.090 -5.074 -1.259 281 HB2 PHE 57 HB2 PHE 57 -12.189 -5.660 0.899 282 HB3 PHE 57 HB1 PHE 57 -10.658 -6.304 1.473 283 HD1 PHE 57 HD2 PHE 57 -8.639 -4.563 1.288 284 HD2 PHE 57 HD1 PHE 57 -12.765 -3.547 1.540 285 HE1 PHE 57 HE2 PHE 57 -8.035 -2.343 2.153 286 HE2 PHE 57 HE1 PHE 57 -12.169 -1.325 2.412 287 HZ PHE 57 HZ PHE 57 -9.800 -0.720 2.717 288 H ARG 58 HN ARG 58 -9.127 -7.653 0.098 289 HA ARG 58 HA ARG 58 -6.692 -6.373 0.355 290 HB2 ARG 58 HB2 ARG 58 -7.729 -9.004 0.456 291 HB3 ARG 58 HB1 ARG 58 -6.315 -9.052 -0.578 292 HG2 ARG 58 HG2 ARG 58 -5.529 -9.499 1.571 293 HG3 ARG 58 HG1 ARG 58 -5.119 -7.809 1.288 294 HD2 ARG 58 HD2 ARG 58 -6.672 -7.038 2.782 295 HD3 ARG 58 HD1 ARG 58 -7.726 -8.436 2.568 296 HE ARG 58 HE ARG 58 -5.576 -8.154 4.456 297 HH11 ARG 58 HH11 ARG 58 -7.538 -10.423 2.672 298 HH12 ARG 58 HH12 ARG 58 -7.283 -11.717 3.794 299 HH21 ARG 58 HH21 ARG 58 -5.240 -9.854 5.932 300 HH22 ARG 58 HH22 ARG 58 -5.979 -11.394 5.645 301 H ALA 59 HN ALA 59 -7.926 -8.214 -2.436 302 HA ALA 59 HA ALA 59 -5.735 -7.870 -4.120 303 HB1 ALA 59 HB1 ALA 59 -7.964 -9.278 -4.340 304 HB2 ALA 59 HB2 ALA 59 -7.013 -8.820 -5.753 305 HB3 ALA 59 HB3 ALA 59 -8.451 -7.896 -5.321 306 H ARG 60 HN ARG 60 -8.633 -5.851 -3.749 307 HA ARG 60 HA ARG 60 -8.153 -4.027 -5.787 308 HB2 ARG 60 HB2 ARG 60 -9.370 -3.427 -3.083 309 HB3 ARG 60 HB1 ARG 60 -9.581 -2.483 -4.551 310 HG2 ARG 60 HG2 ARG 60 -10.326 -5.327 -4.735 311 HG3 ARG 60 HG1 ARG 60 -11.334 -4.323 -3.691 312 HD2 ARG 60 HD2 ARG 60 -12.074 -3.019 -5.426 313 HD3 ARG 60 HD1 ARG 60 -10.630 -3.305 -6.398 314 HE ARG 60 HE ARG 60 -12.024 -5.720 -6.137 315 HH11 ARG 60 HH11 ARG 60 -12.379 -2.598 -7.655 316 HH12 ARG 60 HH12 ARG 60 -13.359 -3.199 -8.950 317 HH21 ARG 60 HH21 ARG 60 -13.313 -6.513 -7.839 318 HH22 ARG 60 HH22 ARG 60 -13.889 -5.422 -9.054 319 H VAL 61 HN VAL 61 -7.022 -3.999 -2.428 320 HA VAL 61 HA VAL 61 -5.610 -1.539 -2.643 321 HB VAL 61 HB VAL 61 -4.986 -3.757 -0.701 322 HG11 VAL 61 HG11 VAL 61 -4.551 -1.673 0.748 323 HG12 VAL 61 HG12 VAL 61 -4.497 -0.808 -0.787 324 HG13 VAL 61 HG13 VAL 61 -3.363 -2.121 -0.473 325 HG21 VAL 61 HG21 VAL 61 -7.386 -2.104 -0.935 326 HG22 VAL 61 HG22 VAL 61 -6.634 -2.065 0.660 327 HG23 VAL 61 HG23 VAL 61 -7.120 -3.605 -0.048 328 H ASP 62 HN ASP 62 -4.632 -4.949 -2.793 329 HA ASP 62 HA ASP 62 -1.897 -4.592 -3.101 330 HB2 ASP 62 HB2 ASP 62 -3.552 -6.756 -3.030 331 HB3 ASP 62 HB1 ASP 62 -3.083 -6.755 -4.726 332 H ASP 63 HN ASP 63 -4.494 -4.481 -5.459 333 HA ASP 63 HA ASP 63 -2.787 -4.237 -7.739 334 HB2 ASP 63 HB2 ASP 63 -5.266 -5.015 -7.612 335 HB3 ASP 63 HB1 ASP 63 -5.646 -3.299 -7.650 336 H ALA 64 HN ALA 64 -4.637 -1.984 -5.735 337 HA ALA 64 HA ALA 64 -4.193 0.360 -7.163 338 HB1 ALA 64 HB1 ALA 64 -5.547 -0.210 -4.926 339 HB2 ALA 64 HB2 ALA 64 -5.117 1.435 -5.394 340 HB3 ALA 64 HB3 ALA 64 -4.134 0.569 -4.214 341 H ILE 65 HN ILE 65 -2.299 -0.927 -4.426 342 HA ILE 65 HA ILE 65 -0.297 1.013 -4.420 343 HB ILE 65 HB ILE 65 -0.146 -1.908 -3.669 344 HG12 ILE 65 HG12 ILE 65 -0.057 0.208 -1.615 345 HG13 ILE 65 HG11 ILE 65 -1.579 0.088 -2.488 346 HG21 ILE 65 HG21 ILE 65 1.875 -1.311 -2.393 347 HG22 ILE 65 HG22 ILE 65 1.819 0.309 -3.087 348 HG23 ILE 65 HG23 ILE 65 2.094 -1.087 -4.130 349 HD11 ILE 65 HD11 ILE 65 -0.219 -2.157 -1.021 350 HD12 ILE 65 HD12 ILE 65 -1.763 -2.252 -1.866 351 HD13 ILE 65 HD13 ILE 65 -1.599 -1.227 -0.441 352 H ARG 66 HN ARG 66 -0.200 -2.226 -5.884 353 HA ARG 66 HA ARG 66 2.251 -2.035 -7.147 354 HB2 ARG 66 HB2 ARG 66 0.833 -4.087 -6.911 355 HB3 ARG 66 HB1 ARG 66 -0.190 -3.477 -8.199 356 HG2 ARG 66 HG2 ARG 66 1.875 -3.440 -9.653 357 HG3 ARG 66 HG1 ARG 66 2.676 -4.346 -8.369 358 HD2 ARG 66 HD2 ARG 66 0.058 -5.369 -9.292 359 HD3 ARG 66 HD1 ARG 66 1.406 -5.516 -10.418 360 HE ARG 66 HE ARG 66 2.388 -6.473 -8.062 361 HH11 ARG 66 HH11 ARG 66 -0.376 -7.236 -10.051 362 HH12 ARG 66 HH12 ARG 66 -0.408 -8.903 -9.586 363 HH21 ARG 66 HH21 ARG 66 2.348 -8.666 -7.449 364 HH22 ARG 66 HH22 ARG 66 1.138 -9.716 -8.109 365 H GLU 67 HN GLU 67 -0.909 -0.888 -8.256 366 HA GLU 67 HA GLU 67 -0.100 -0.242 -10.896 367 HB2 GLU 67 HB2 GLU 67 -2.386 0.524 -9.127 368 HB3 GLU 67 HB1 GLU 67 -2.093 1.481 -10.572 369 HG2 GLU 67 HG2 GLU 67 -2.182 -1.467 -10.863 370 HG3 GLU 67 HG1 GLU 67 -3.698 -0.618 -10.567 371 H GLY 68 HN GLY 68 -0.597 1.860 -8.051 372 HA2 GLY 68 HA2 GLY 68 0.601 4.138 -9.236 373 HA3 GLY 68 HA1 GLY 68 0.334 3.895 -7.513 374 H LEU 69 HN LEU 69 1.841 1.397 -7.488 375 HA LEU 69 HA LEU 69 4.442 2.469 -6.993 376 HB2 LEU 69 HB2 LEU 69 3.206 -0.260 -6.825 377 HB3 LEU 69 HB1 LEU 69 4.921 -0.101 -6.688 378 HG LEU 69 HG LEU 69 2.805 0.778 -4.779 379 HD11 LEU 69 HD11 LEU 69 4.034 -0.421 -3.223 380 HD12 LEU 69 HD12 LEU 69 5.527 -0.295 -4.154 381 HD13 LEU 69 HD13 LEU 69 4.238 -1.370 -4.695 382 HD21 LEU 69 HD21 LEU 69 5.406 2.162 -5.276 383 HD22 LEU 69 HD22 LEU 69 4.804 2.014 -3.626 384 HD23 LEU 69 HD23 LEU 69 3.836 2.839 -4.847 385 H LYS 70 HN LYS 70 2.928 0.514 -9.458 386 HA LYS 70 HA LYS 70 5.273 -0.207 -10.838 387 HB2 LYS 70 HB2 LYS 70 3.285 -1.477 -11.211 388 HB3 LYS 70 HB1 LYS 70 2.392 -0.043 -11.699 389 HG2 LYS 70 HG2 LYS 70 3.502 0.087 -13.756 390 HG3 LYS 70 HG1 LYS 70 4.774 -1.021 -13.236 391 HD2 LYS 70 HD2 LYS 70 3.536 -2.855 -13.690 392 HD3 LYS 70 HD1 LYS 70 2.034 -2.101 -13.152 393 HE2 LYS 70 HE2 LYS 70 1.893 -0.853 -15.224 394 HE3 LYS 70 HE1 LYS 70 3.440 -1.519 -15.753 395 HZ1 LYS 70 HZ1 LYS 70 2.013 -2.925 -16.804 396 HZ2 LYS 70 HZ2 LYS 70 0.810 -2.800 -15.621 397 HZ3 LYS 70 HZ3 LYS 70 2.170 -3.765 -15.343 398 H ALA 71 HN ALA 71 3.596 2.732 -10.593 399 HA ALA 71 HA ALA 71 4.661 3.736 -13.114 400 HB1 ALA 71 HB1 ALA 71 2.368 4.371 -11.453 401 HB2 ALA 71 HB2 ALA 71 2.627 4.637 -13.177 402 HB3 ALA 71 HB3 ALA 71 3.240 5.803 -12.004 403 H LEU 72 HN LEU 72 5.708 3.561 -9.978 404 HA LEU 72 HA LEU 72 7.210 6.080 -10.253 405 HB2 LEU 72 HB2 LEU 72 7.445 5.805 -7.684 406 HB3 LEU 72 HB1 LEU 72 5.960 6.446 -8.361 407 HG LEU 72 HG LEU 72 5.146 3.977 -8.267 408 HD11 LEU 72 HD11 LEU 72 7.688 3.534 -7.402 409 HD12 LEU 72 HD12 LEU 72 6.319 2.471 -7.099 410 HD13 LEU 72 HD13 LEU 72 6.807 3.643 -5.879 411 HD21 LEU 72 HD21 LEU 72 5.311 6.054 -6.176 412 HD22 LEU 72 HD22 LEU 72 4.826 4.446 -5.639 413 HD23 LEU 72 HD23 LEU 72 3.903 5.273 -6.892 414 H GLY 73 HN GLY 73 7.878 3.246 -11.155 415 HA2 GLY 73 HA2 GLY 73 10.353 2.890 -11.378 416 HA3 GLY 73 HA1 GLY 73 10.404 3.017 -9.634 417 H TYR 74 HN TYR 74 7.680 1.391 -9.855 418 HA TYR 74 HA TYR 74 9.090 -1.182 -9.822 419 HB2 TYR 74 HB2 TYR 74 6.450 -0.381 -8.597 420 HB3 TYR 74 HB1 TYR 74 7.182 -1.972 -8.481 421 HD1 TYR 74 HD1 TYR 74 9.909 -1.584 -7.843 422 HD2 TYR 74 HD2 TYR 74 6.580 0.736 -6.578 423 HE1 TYR 74 HE1 TYR 74 11.177 -0.850 -5.870 424 HE2 TYR 74 HE2 TYR 74 7.838 1.482 -4.603 425 HH TYR 74 HH TYR 74 10.626 0.003 -3.540 426 H TYR 75 HN TYR 75 7.616 -3.093 -10.375 427 HA TYR 75 HA TYR 75 6.044 -2.469 -12.789 428 HB2 TYR 75 HB2 TYR 75 8.251 -4.427 -12.380 429 HB3 TYR 75 HB1 TYR 75 6.905 -4.922 -13.403 430 HD1 TYR 75 HD1 TYR 75 6.262 -3.335 -15.330 431 HD2 TYR 75 HD2 TYR 75 9.970 -3.127 -13.257 432 HE1 TYR 75 HE1 TYR 75 7.239 -2.099 -17.218 433 HE2 TYR 75 HE2 TYR 75 10.961 -1.891 -15.140 434 HH TYR 75 HH TYR 75 10.555 -1.621 -17.584 435 H GLN 76 HN GLN 76 6.598 -4.778 -10.147 436 HA GLN 76 HA GLN 76 3.782 -5.151 -9.812 437 HB2 GLN 76 HB2 GLN 76 4.099 -7.732 -10.072 438 HB3 GLN 76 HB1 GLN 76 3.768 -6.740 -11.484 439 HG2 GLN 76 HG2 GLN 76 6.609 -7.001 -10.925 440 HG3 GLN 76 HG1 GLN 76 5.816 -8.549 -11.208 441 HE21 GLN 76 HE21 GLN 76 7.755 -7.473 -12.900 442 HE22 GLN 76 HE22 GLN 76 7.020 -7.108 -14.420 443 HA PRO 77 HA PRO 77 6.858 -5.754 -6.179 444 HB2 PRO 77 HB2 PRO 77 4.924 -3.757 -5.102 445 HB3 PRO 77 HB1 PRO 77 6.673 -3.871 -4.867 446 HG2 PRO 77 HG2 PRO 77 5.650 -2.051 -6.496 447 HG3 PRO 77 HG1 PRO 77 7.139 -2.917 -6.919 448 HD2 PRO 77 HD2 PRO 77 4.361 -3.298 -7.960 449 HD3 PRO 77 HD1 PRO 77 5.914 -3.417 -8.813 450 H THR 78 HN THR 78 6.425 -7.357 -4.785 451 HA THR 78 HA THR 78 3.753 -8.388 -4.566 452 HB THR 78 HB THR 78 5.915 -9.255 -2.697 453 HG1 THR 78 HG1 THR 78 7.170 -9.226 -4.445 454 HG21 THR 78 HG21 THR 78 4.770 -11.148 -2.573 455 HG22 THR 78 HG22 THR 78 4.639 -11.275 -4.327 456 HG23 THR 78 HG23 THR 78 3.475 -10.306 -3.424 457 H ILE 79 HN ILE 79 2.364 -7.121 -3.472 458 HA ILE 79 HA ILE 79 3.245 -6.018 -0.898 459 HB ILE 79 HB ILE 79 0.939 -5.127 -2.630 460 HG12 ILE 79 HG12 ILE 79 3.060 -3.198 -2.206 461 HG13 ILE 79 HG11 ILE 79 3.691 -4.665 -2.942 462 HG21 ILE 79 HG21 ILE 79 1.543 -3.090 -0.885 463 HG22 ILE 79 HG22 ILE 79 1.716 -4.532 0.114 464 HG23 ILE 79 HG23 ILE 79 0.198 -4.220 -0.727 465 HD11 ILE 79 HD11 ILE 79 2.992 -2.876 -4.541 466 HD12 ILE 79 HD12 ILE 79 1.328 -3.155 -4.021 467 HD13 ILE 79 HD13 ILE 79 2.234 -4.449 -4.803 468 H GLU 80 HN GLU 80 2.653 -7.203 0.771 469 HA GLU 80 HA GLU 80 0.131 -8.695 0.676 470 HB2 GLU 80 HB2 GLU 80 2.489 -8.889 2.560 471 HB3 GLU 80 HB1 GLU 80 1.025 -9.853 2.698 472 HG2 GLU 80 HG2 GLU 80 1.463 -10.951 0.629 473 HG3 GLU 80 HG1 GLU 80 2.801 -9.858 0.272 474 H PHE 81 HN PHE 81 -1.059 -8.808 2.835 475 HA PHE 81 HA PHE 81 -0.917 -6.258 4.274 476 HB2 PHE 81 HB2 PHE 81 -3.506 -7.456 3.281 477 HB3 PHE 81 HB1 PHE 81 -3.306 -5.933 4.140 478 HD1 PHE 81 HD1 PHE 81 -2.084 -4.056 3.015 479 HD2 PHE 81 HD2 PHE 81 -3.289 -7.576 0.948 480 HE1 PHE 81 HE1 PHE 81 -1.843 -2.875 0.870 481 HE2 PHE 81 HE2 PHE 81 -3.048 -6.401 -1.198 482 HZ PHE 81 HZ PHE 81 -2.325 -4.049 -1.240 483 H ASP 82 HN ASP 82 -1.847 -6.256 6.365 484 HA ASP 82 HA ASP 82 -2.564 -8.870 7.479 485 HB2 ASP 82 HB2 ASP 82 -0.156 -8.540 7.911 486 HB3 ASP 82 HB1 ASP 82 -0.514 -7.010 8.706 487 H LEU 83 HN LEU 83 -4.677 -8.273 7.759 488 HA LEU 83 HA LEU 83 -5.509 -5.789 8.822 489 HB2 LEU 83 HB2 LEU 83 -6.784 -7.572 7.427 490 HB3 LEU 83 HB1 LEU 83 -7.144 -8.289 8.984 491 HG LEU 83 HG LEU 83 -8.456 -6.454 9.657 492 HD11 LEU 83 HD11 LEU 83 -7.460 -4.468 9.218 493 HD12 LEU 83 HD12 LEU 83 -8.570 -4.486 7.847 494 HD13 LEU 83 HD13 LEU 83 -6.891 -4.980 7.629 495 HD21 LEU 83 HD21 LEU 83 -9.726 -6.032 7.287 496 HD22 LEU 83 HD22 LEU 83 -9.970 -7.434 8.330 497 HD23 LEU 83 HD23 LEU 83 -8.854 -7.532 6.967 498 H ARG 84 HN ARG 84 -5.937 -5.125 10.823 499 HA ARG 84 HA ARG 84 -5.895 -7.040 13.028 500 HB2 ARG 84 HB2 ARG 84 -4.623 -4.766 14.057 501 HB3 ARG 84 HB1 ARG 84 -3.914 -6.342 13.784 502 HG2 ARG 84 HG2 ARG 84 -3.990 -4.724 11.377 503 HG3 ARG 84 HG1 ARG 84 -3.106 -3.956 12.695 504 HD2 ARG 84 HD2 ARG 84 -2.628 -6.828 12.043 505 HD3 ARG 84 HD1 ARG 84 -1.878 -5.563 11.081 506 HE ARG 84 HE ARG 84 -1.067 -6.419 13.643 507 HH11 ARG 84 HH11 ARG 84 -1.428 -3.522 11.729 508 HH12 ARG 84 HH12 ARG 84 -0.188 -2.659 12.575 509 HH21 ARG 84 HH21 ARG 84 0.563 -5.285 14.757 510 HH22 ARG 84 HH22 ARG 84 0.943 -3.660 14.294 511 HA PRO 85 HA PRO 85 -9.687 -4.489 13.189 512 HB2 PRO 85 HB2 PRO 85 -10.639 -6.143 15.269 513 HB3 PRO 85 HB1 PRO 85 -11.090 -6.199 13.566 514 HG2 PRO 85 HG2 PRO 85 -9.167 -7.874 15.068 515 HG3 PRO 85 HG1 PRO 85 -10.143 -8.275 13.646 516 HD2 PRO 85 HD2 PRO 85 -7.488 -7.836 13.497 517 HD3 PRO 85 HD1 PRO 85 -8.594 -7.398 12.180 518 HA PRO 86 HA PRO 86 -8.699 -3.336 17.647 519 HB2 PRO 86 HB2 PRO 86 -6.953 -4.749 19.106 520 HB3 PRO 86 HB1 PRO 86 -8.577 -5.353 18.763 521 HG2 PRO 86 HG2 PRO 86 -5.989 -6.275 17.722 522 HG3 PRO 86 HG1 PRO 86 -7.548 -7.113 17.753 523 HD2 PRO 86 HD2 PRO 86 -6.309 -5.620 15.578 524 HD3 PRO 86 HD1 PRO 86 -7.750 -6.654 15.541 525 HA PRO 87 HA PRO 87 -4.678 -1.434 15.982 526 HB2 PRO 87 HB2 PRO 87 -5.707 1.111 15.945 527 HB3 PRO 87 HB1 PRO 87 -5.725 0.021 14.558 528 HG2 PRO 87 HG2 PRO 87 -7.884 0.585 16.547 529 HG3 PRO 87 HG1 PRO 87 -7.996 0.454 14.783 530 HD2 PRO 87 HD2 PRO 87 -8.746 -1.568 16.354 531 HD3 PRO 87 HD1 PRO 87 -7.884 -1.877 14.833 532 H LYS 88 HN LYS 88 -3.617 0.586 16.958 533 HA LYS 88 HA LYS 88 -3.868 0.384 19.853 534 HB2 LYS 88 HB2 LYS 88 -1.719 1.638 19.875 535 HB3 LYS 88 HB1 LYS 88 -1.645 0.097 19.030 536 HG2 LYS 88 HG2 LYS 88 -0.734 1.190 17.350 537 HG3 LYS 88 HG1 LYS 88 -2.314 1.904 17.051 538 HD2 LYS 88 HD2 LYS 88 -1.676 3.923 17.794 539 HD3 LYS 88 HD1 LYS 88 -0.794 3.240 19.164 540 HE2 LYS 88 HE2 LYS 88 1.127 2.831 17.839 541 HE3 LYS 88 HE1 LYS 88 0.247 3.139 16.343 542 HZ1 LYS 88 HZ1 LYS 88 1.415 5.017 18.227 543 HZ2 LYS 88 HZ2 LYS 88 -0.086 5.460 17.585 544 HZ3 LYS 88 HZ3 LYS 88 1.216 5.144 16.552 545 H LYS 89 HN LYS 89 -4.104 2.740 17.250 546 HA LYS 89 HA LYS 89 -5.255 4.640 19.174 547 HB2 LYS 89 HB2 LYS 89 -2.938 5.291 18.569 548 HB3 LYS 89 HB1 LYS 89 -3.436 5.379 16.886 549 HG2 LYS 89 HG2 LYS 89 -5.177 6.955 18.560 550 HG3 LYS 89 HG1 LYS 89 -3.489 7.424 18.771 551 HD2 LYS 89 HD2 LYS 89 -4.319 6.994 15.984 552 HD3 LYS 89 HD1 LYS 89 -5.109 8.347 16.797 553 HE2 LYS 89 HE2 LYS 89 -3.212 9.319 15.871 554 HE3 LYS 89 HE1 LYS 89 -2.732 9.005 17.538 555 HZ1 LYS 89 HZ1 LYS 89 -1.960 6.745 16.403 556 HZ2 LYS 89 HZ2 LYS 89 -0.957 8.103 16.508 557 HZ3 LYS 89 HZ3 LYS 89 -1.791 7.778 15.073 558 H GLY 90 HN GLY 90 -6.608 2.785 17.399 559 HA2 GLY 90 HA2 GLY 90 -8.333 4.744 16.148 560 HA3 GLY 90 HA1 GLY 90 -7.511 3.669 15.036 561 H ARG 91 HN ARG 91 -9.538 2.866 14.338 562 HA ARG 91 HA ARG 91 -10.962 1.201 16.292 563 HB2 ARG 91 HB2 ARG 91 -11.800 2.645 13.820 564 HB3 ARG 91 HB1 ARG 91 -12.673 1.190 14.281 565 HG2 ARG 91 HG2 ARG 91 -13.852 3.022 15.198 566 HG3 ARG 91 HG1 ARG 91 -13.017 2.227 16.533 567 HD2 ARG 91 HD2 ARG 91 -11.233 4.149 15.536 568 HD3 ARG 91 HD1 ARG 91 -12.807 4.938 15.613 569 HE ARG 91 HE ARG 91 -11.177 4.095 17.826 570 HH11 ARG 91 HH11 ARG 91 -14.423 4.840 16.783 571 HH12 ARG 91 HH12 ARG 91 -14.983 5.216 18.378 572 HH21 ARG 91 HH21 ARG 91 -11.912 4.588 19.924 573 HH22 ARG 91 HH22 ARG 91 -13.558 5.074 20.161 574 H GLN 92 HN GLN 92 -9.678 1.203 12.987 575 HA GLN 92 HA GLN 92 -9.155 -1.655 13.211 576 HB2 GLN 92 HB2 GLN 92 -11.376 -0.640 11.760 577 HB3 GLN 92 HB1 GLN 92 -10.193 -1.177 10.576 578 HG2 GLN 92 HG2 GLN 92 -10.783 -2.995 12.834 579 HG3 GLN 92 HG1 GLN 92 -12.027 -2.789 11.603 580 HE21 GLN 92 HE21 GLN 92 -11.193 -5.225 11.739 581 HE22 GLN 92 HE22 GLN 92 -10.071 -5.632 10.489 582 H VAL 93 HN VAL 93 -7.202 -2.154 12.329 583 HA VAL 93 HA VAL 93 -6.022 -0.212 10.462 584 HB VAL 93 HB VAL 93 -3.814 -1.141 11.478 585 HG11 VAL 93 HG11 VAL 93 -3.992 0.639 13.309 586 HG12 VAL 93 HG12 VAL 93 -5.619 0.919 12.689 587 HG13 VAL 93 HG13 VAL 93 -4.222 1.153 11.638 588 HG21 VAL 93 HG21 VAL 93 -4.716 -2.844 12.876 589 HG22 VAL 93 HG22 VAL 93 -5.792 -1.697 13.669 590 HG23 VAL 93 HG23 VAL 93 -4.049 -1.586 13.916 591 H LEU 94 HN LEU 94 -4.726 -0.983 8.833 592 HA LEU 94 HA LEU 94 -4.508 -3.881 8.482 593 HB2 LEU 94 HB2 LEU 94 -6.486 -3.094 7.222 594 HB3 LEU 94 HB1 LEU 94 -5.469 -1.968 6.352 595 HG LEU 94 HG LEU 94 -6.185 -4.439 5.457 596 HD11 LEU 94 HD11 LEU 94 -3.989 -4.088 4.011 597 HD12 LEU 94 HD12 LEU 94 -4.046 -2.508 4.790 598 HD13 LEU 94 HD13 LEU 94 -5.416 -3.067 3.829 599 HD21 LEU 94 HD21 LEU 94 -4.590 -5.334 7.290 600 HD22 LEU 94 HD22 LEU 94 -3.312 -4.820 6.194 601 HD23 LEU 94 HD23 LEU 94 -4.501 -6.011 5.667 602 H ILE 95 HN ILE 95 -2.408 -4.319 8.280 603 HA ILE 95 HA ILE 95 -0.506 -2.294 7.574 604 HB ILE 95 HB ILE 95 -0.022 -5.253 7.907 605 HG12 ILE 95 HG12 ILE 95 0.206 -3.044 9.962 606 HG13 ILE 95 HG11 ILE 95 -1.109 -4.212 9.888 607 HG21 ILE 95 HG21 ILE 95 1.806 -4.156 6.790 608 HG22 ILE 95 HG22 ILE 95 2.281 -4.517 8.450 609 HG23 ILE 95 HG23 ILE 95 1.825 -2.874 8.001 610 HD11 ILE 95 HD11 ILE 95 0.097 -5.795 10.891 611 HD12 ILE 95 HD12 ILE 95 1.155 -4.470 11.375 612 HD13 ILE 95 HD13 ILE 95 1.540 -5.429 9.946 613 H ALA 96 HN ALA 96 0.953 -2.323 5.815 614 HA ALA 96 HA ALA 96 0.334 -4.089 3.572 615 HB1 ALA 96 HB1 ALA 96 0.368 -2.038 2.048 616 HB2 ALA 96 HB2 ALA 96 0.073 -1.098 3.511 617 HB3 ALA 96 HB3 ALA 96 -1.091 -2.319 2.998 618 H LYS 97 HN LYS 97 2.278 -5.022 3.344 619 HA LYS 97 HA LYS 97 4.660 -3.289 3.280 620 HB2 LYS 97 HB2 LYS 97 4.544 -6.280 3.708 621 HB3 LYS 97 HB1 LYS 97 5.973 -5.261 3.820 622 HG2 LYS 97 HG2 LYS 97 5.004 -4.107 5.742 623 HG3 LYS 97 HG1 LYS 97 3.569 -5.128 5.628 624 HD2 LYS 97 HD2 LYS 97 6.356 -6.204 6.018 625 HD3 LYS 97 HD1 LYS 97 5.253 -5.845 7.348 626 HE2 LYS 97 HE2 LYS 97 3.605 -7.364 6.014 627 HE3 LYS 97 HE1 LYS 97 5.077 -7.969 5.254 628 HZ1 LYS 97 HZ1 LYS 97 4.122 -8.308 7.984 629 HZ2 LYS 97 HZ2 LYS 97 5.790 -8.106 7.793 630 HZ3 LYS 97 HZ3 LYS 97 4.997 -9.373 7.002 631 H VAL 98 HN VAL 98 5.755 -3.067 1.421 632 HA VAL 98 HA VAL 98 4.957 -4.780 -0.838 633 HB VAL 98 HB VAL 98 4.455 -2.400 -1.135 634 HG11 VAL 98 HG11 VAL 98 5.829 -0.801 -0.460 635 HG12 VAL 98 HG12 VAL 98 7.091 -1.378 -1.549 636 HG13 VAL 98 HG13 VAL 98 6.966 -2.034 0.083 637 HG21 VAL 98 HG21 VAL 98 5.859 -4.058 -2.918 638 HG22 VAL 98 HG22 VAL 98 6.546 -2.445 -3.099 639 HG23 VAL 98 HG23 VAL 98 4.813 -2.695 -3.308 640 H THR 99 HN THR 99 6.497 -5.700 -2.176 641 HA THR 99 HA THR 99 9.313 -5.229 -1.718 642 HB THR 99 HB THR 99 8.119 -7.956 -1.185 643 HG1 THR 99 HG1 THR 99 7.865 -7.042 0.700 644 HG21 THR 99 HG21 THR 99 10.300 -8.199 -2.176 645 HG22 THR 99 HG22 THR 99 10.378 -8.572 -0.454 646 HG23 THR 99 HG23 THR 99 10.975 -7.023 -1.049 647 HA PRO 100 HA PRO 100 8.532 -6.492 -6.024 648 HB2 PRO 100 HB2 PRO 100 9.831 -4.326 -7.120 649 HB3 PRO 100 HB1 PRO 100 8.114 -4.394 -6.746 650 HG2 PRO 100 HG2 PRO 100 10.154 -2.812 -5.489 651 HG3 PRO 100 HG1 PRO 100 8.418 -2.810 -5.166 652 HD2 PRO 100 HD2 PRO 100 10.596 -4.114 -3.687 653 HD3 PRO 100 HD1 PRO 100 8.942 -3.742 -3.161 654 H GLY 101 HN GLY 101 11.502 -4.564 -5.878 655 HA2 GLY 101 HA2 GLY 101 13.514 -6.254 -5.462 656 HA3 GLY 101 HA1 GLY 101 12.969 -6.794 -7.043 657 H VAL 102 HN VAL 102 12.493 -4.641 -8.484 658 HA VAL 102 HA VAL 102 15.012 -3.112 -8.376 659 HB VAL 102 HB VAL 102 14.680 -4.706 -10.333 660 HG11 VAL 102 HG11 VAL 102 12.301 -4.215 -10.721 661 HG12 VAL 102 HG12 VAL 102 13.274 -3.955 -12.168 662 HG13 VAL 102 HG13 VAL 102 12.729 -2.575 -11.212 663 HG21 VAL 102 HG21 VAL 102 15.005 -1.893 -11.295 664 HG22 VAL 102 HG22 VAL 102 15.907 -3.341 -11.743 665 HG23 VAL 102 HG23 VAL 102 16.170 -2.589 -10.169 666 H LEU 103 HN LEU 103 14.968 -0.920 -9.120 667 HA LEU 103 HA LEU 103 12.337 0.333 -9.307 668 HB2 LEU 103 HB2 LEU 103 13.044 0.431 -6.930 669 HB3 LEU 103 HB1 LEU 103 14.477 1.315 -7.422 670 HG LEU 103 HG LEU 103 12.676 2.939 -8.498 671 HD11 LEU 103 HD11 LEU 103 10.623 3.036 -7.421 672 HD12 LEU 103 HD12 LEU 103 11.164 2.016 -6.087 673 HD13 LEU 103 HD13 LEU 103 10.866 1.308 -7.675 674 HD21 LEU 103 HD21 LEU 103 14.396 3.137 -6.481 675 HD22 LEU 103 HD22 LEU 103 12.895 3.212 -5.557 676 HD23 LEU 103 HD23 LEU 103 13.204 4.388 -6.835 677 H GLU 104 HN GLU 104 12.314 2.319 -10.403 678 HA GLU 104 HA GLU 104 14.230 2.597 -12.448 679 HB2 GLU 104 HB2 GLU 104 11.918 4.231 -11.487 680 HB3 GLU 104 HB1 GLU 104 13.039 4.941 -12.641 681 HG2 GLU 104 HG2 GLU 104 11.782 2.272 -13.144 682 HG3 GLU 104 HG1 GLU 104 10.938 3.772 -13.527 683 H HIS 105 HN HIS 105 16.181 3.481 -12.403 684 HA HIS 105 HA HIS 105 17.005 5.045 -10.101 685 HB2 HIS 105 HB2 HIS 105 19.266 4.941 -11.249 686 HB3 HIS 105 HB1 HIS 105 18.579 3.393 -10.768 687 HD1 HIS 105 HD1 HIS 105 19.533 5.396 -13.760 688 HD2 HIS 105 HD2 HIS 105 17.805 1.717 -12.896 689 HE1 HIS 105 HE1 HIS 105 19.555 4.118 -15.925 690 HE2 HIS 105 HE2 HIS 105 18.431 1.927 -15.397 691 H HIS 106 HN HIS 106 18.004 7.110 -10.253 692 HA HIS 106 HA HIS 106 16.925 8.717 -12.454 693 HB2 HIS 106 HB2 HIS 106 16.380 9.337 -10.089 694 HB3 HIS 106 HB1 HIS 106 18.090 9.671 -9.832 695 HD1 HIS 106 HD1 HIS 106 15.737 10.713 -12.643 696 HD2 HIS 106 HD2 HIS 106 18.326 12.359 -9.840 697 HE1 HIS 106 HE1 HIS 106 15.743 13.185 -13.104 698 HE2 HIS 106 HE2 HIS 106 17.380 14.150 -11.449 699 H HIS 107 HN HIS 107 19.353 7.056 -12.671 700 HA HIS 107 HA HIS 107 21.399 7.178 -13.650 701 HB2 HIS 107 HB2 HIS 107 20.000 9.506 -14.550 702 HB3 HIS 107 HB1 HIS 107 21.686 9.935 -14.282 703 HD1 HIS 107 HD1 HIS 107 23.165 9.507 -16.213 704 HD2 HIS 107 HD2 HIS 107 19.818 7.045 -16.259 705 HE1 HIS 107 HE1 HIS 107 23.331 8.188 -18.347 706 HE2 HIS 107 HE2 HIS 107 21.342 6.642 -18.310 707 H HIS 108 HN HIS 108 21.333 10.497 -12.398 708 HA HIS 108 HA HIS 108 22.589 11.570 -10.836 709 HB2 HIS 108 HB2 HIS 108 22.310 8.851 -9.764 710 HB3 HIS 108 HB1 HIS 108 23.730 9.706 -9.170 711 HD1 HIS 108 HD1 HIS 108 22.350 12.559 -9.113 712 HD2 HIS 108 HD2 HIS 108 20.833 9.069 -7.443 713 HE1 HIS 108 HE1 HIS 108 20.769 13.310 -7.307 714 HE2 HIS 108 HE2 HIS 108 19.799 11.182 -6.369 715 H HIS 109 HN HIS 109 24.465 8.558 -10.949 716 HA HIS 109 HA HIS 109 26.826 10.110 -11.672 717 HB2 HIS 109 HB2 HIS 109 26.357 7.393 -10.516 718 HB3 HIS 109 HB1 HIS 109 27.874 7.709 -11.351 719 HD1 HIS 109 HD1 HIS 109 29.560 9.260 -10.197 720 HD2 HIS 109 HD2 HIS 109 26.019 8.771 -8.080 721 HE1 HIS 109 HE1 HIS 109 30.002 10.223 -7.917 722 HE2 HIS 109 HE2 HIS 109 27.873 9.838 -6.627 723 H HIS 110 HN HIS 110 28.411 8.655 -13.108 724 HA HIS 110 HA HIS 110 28.906 7.940 -15.210 725 HB2 HIS 110 HB2 HIS 110 26.303 6.568 -14.662 726 HB3 HIS 110 HB1 HIS 110 26.994 6.478 -16.278 727 HD1 HIS 110 HD1 HIS 110 28.719 4.721 -16.647 728 HD2 HIS 110 HD2 HIS 110 28.111 5.503 -12.611 729 HE1 HIS 110 HE1 HIS 110 30.081 3.002 -15.416 730 HE2 HIS 110 HE2 HIS 110 29.629 3.441 -12.977 Start of MODEL 8 1 H1 ALA 22 HT1 ALA 22 -13.793 6.637 7.258 2 H2 ALA 22 HT2 ALA 22 -15.148 5.722 7.779 3 H3 ALA 22 HT3 ALA 22 -13.577 5.335 8.351 4 HA ALA 22 HA ALA 22 -14.778 7.963 8.802 5 HB1 ALA 22 HB1 ALA 22 -16.423 6.641 9.769 6 HB2 ALA 22 HB2 ALA 22 -15.323 6.951 11.113 7 HB3 ALA 22 HB3 ALA 22 -15.273 5.402 10.271 8 H ASN 23 HN ASN 23 -12.923 5.345 10.370 9 HA ASN 23 HA ASN 23 -10.744 7.243 10.841 10 HB2 ASN 23 HB2 ASN 23 -12.344 5.822 12.922 11 HB3 ASN 23 HB1 ASN 23 -10.615 6.019 13.193 12 HD21 ASN 23 HD21 ASN 23 -9.825 7.973 13.757 13 HD22 ASN 23 HD22 ASN 23 -10.800 9.377 14.007 14 H VAL 24 HN VAL 24 -9.768 5.994 9.121 15 HA VAL 24 HA VAL 24 -8.390 3.652 10.178 16 HB VAL 24 HB VAL 24 -8.788 2.294 8.209 17 HG11 VAL 24 HG11 VAL 24 -11.531 3.149 9.021 18 HG12 VAL 24 HG12 VAL 24 -10.438 2.464 10.223 19 HG13 VAL 24 HG13 VAL 24 -10.879 1.526 8.797 20 HG21 VAL 24 HG21 VAL 24 -9.534 4.712 7.013 21 HG22 VAL 24 HG22 VAL 24 -10.998 3.730 7.048 22 HG23 VAL 24 HG23 VAL 24 -9.537 3.109 6.280 23 H ARG 25 HN ARG 25 -6.405 3.209 9.180 24 HA ARG 25 HA ARG 25 -5.499 4.932 7.022 25 HB2 ARG 25 HB2 ARG 25 -4.477 5.082 9.833 26 HB3 ARG 25 HB1 ARG 25 -3.374 5.374 8.496 27 HG2 ARG 25 HG2 ARG 25 -4.106 7.452 8.305 28 HG3 ARG 25 HG1 ARG 25 -5.757 6.877 8.062 29 HD2 ARG 25 HD2 ARG 25 -6.358 7.330 10.183 30 HD3 ARG 25 HD1 ARG 25 -4.818 6.780 10.842 31 HE ARG 25 HE ARG 25 -4.608 9.274 9.449 32 HH11 ARG 25 HH11 ARG 25 -5.450 7.794 12.496 33 HH12 ARG 25 HH12 ARG 25 -5.109 9.216 13.423 34 HH21 ARG 25 HH21 ARG 25 -4.160 11.145 10.668 35 HH22 ARG 25 HH22 ARG 25 -4.377 11.119 12.386 36 H LEU 26 HN LEU 26 -4.399 3.711 5.636 37 HA LEU 26 HA LEU 26 -3.578 1.059 6.337 38 HB2 LEU 26 HB2 LEU 26 -3.865 2.650 3.909 39 HB3 LEU 26 HB1 LEU 26 -2.455 1.610 3.870 40 HG LEU 26 HG LEU 26 -3.810 -0.353 4.199 41 HD11 LEU 26 HD11 LEU 26 -5.466 0.474 5.719 42 HD12 LEU 26 HD12 LEU 26 -6.286 -0.163 4.293 43 HD13 LEU 26 HD13 LEU 26 -6.102 1.578 4.499 44 HD21 LEU 26 HD21 LEU 26 -5.017 -0.379 2.138 45 HD22 LEU 26 HD22 LEU 26 -3.584 0.624 1.911 46 HD23 LEU 26 HD23 LEU 26 -5.161 1.379 2.138 47 H GLN 27 HN GLN 27 -1.644 0.368 6.994 48 HA GLN 27 HA GLN 27 0.473 2.309 7.387 49 HB2 GLN 27 HB2 GLN 27 -0.196 -0.369 8.433 50 HB3 GLN 27 HB1 GLN 27 1.523 -0.037 8.270 51 HG2 GLN 27 HG2 GLN 27 0.874 2.192 9.500 52 HG3 GLN 27 HG1 GLN 27 -0.496 1.226 10.045 53 HE21 GLN 27 HE21 GLN 27 0.301 1.410 12.180 54 HE22 GLN 27 HE22 GLN 27 1.618 0.433 12.724 55 H VAL 28 HN VAL 28 2.619 2.054 6.641 56 HA VAL 28 HA VAL 28 2.790 0.580 4.103 57 HB VAL 28 HB VAL 28 4.872 2.077 3.790 58 HG11 VAL 28 HG11 VAL 28 2.768 2.273 2.528 59 HG12 VAL 28 HG12 VAL 28 3.532 3.837 2.813 60 HG13 VAL 28 HG13 VAL 28 2.138 3.347 3.777 61 HG21 VAL 28 HG21 VAL 28 4.924 2.852 6.146 62 HG22 VAL 28 HG22 VAL 28 3.418 3.723 5.857 63 HG23 VAL 28 HG23 VAL 28 4.879 4.172 4.977 64 H GLU 29 HN GLU 29 4.338 -0.925 3.741 65 HA GLU 29 HA GLU 29 6.502 -1.260 5.668 66 HB2 GLU 29 HB2 GLU 29 4.190 -3.056 5.404 67 HB3 GLU 29 HB1 GLU 29 5.747 -3.870 5.339 68 HG2 GLU 29 HG2 GLU 29 6.092 -2.216 7.466 69 HG3 GLU 29 HG1 GLU 29 4.375 -2.596 7.586 70 H GLY 30 HN GLY 30 8.352 -1.705 4.668 71 HA2 GLY 30 HA2 GLY 30 9.829 -2.588 3.125 72 HA3 GLY 30 HA1 GLY 30 8.480 -3.400 2.346 73 H LEU 31 HN LEU 31 9.086 0.041 2.959 74 HA LEU 31 HA LEU 31 9.323 0.508 0.084 75 HB2 LEU 31 HB2 LEU 31 7.470 2.109 1.833 76 HB3 LEU 31 HB1 LEU 31 7.688 2.251 0.103 77 HG LEU 31 HG LEU 31 6.670 -0.283 1.346 78 HD11 LEU 31 HD11 LEU 31 5.225 2.253 0.792 79 HD12 LEU 31 HD12 LEU 31 4.992 1.077 2.084 80 HD13 LEU 31 HD13 LEU 31 4.418 0.723 0.455 81 HD21 LEU 31 HD21 LEU 31 5.638 -0.448 -0.955 82 HD22 LEU 31 HD22 LEU 31 7.395 -0.591 -0.873 83 HD23 LEU 31 HD23 LEU 31 6.658 0.920 -1.404 84 H SER 32 HN SER 32 10.457 2.395 -0.461 85 HA SER 32 HA SER 32 11.443 4.118 1.659 86 HB2 SER 32 HB2 SER 32 13.134 2.120 0.220 87 HB3 SER 32 HB1 SER 32 13.841 3.685 0.624 88 HG SER 32 HG SER 32 13.931 3.100 2.639 89 H GLY 33 HN GLY 33 13.087 5.747 0.641 90 HA2 GLY 33 HA2 GLY 33 13.267 7.562 -0.760 91 HA3 GLY 33 HA1 GLY 33 13.209 6.360 -2.040 92 H GLN 34 HN GLN 34 11.619 6.551 -3.462 93 HA GLN 34 HA GLN 34 9.409 8.363 -2.858 94 HB2 GLN 34 HB2 GLN 34 10.693 7.354 -5.348 95 HB3 GLN 34 HB1 GLN 34 8.996 7.805 -5.428 96 HG2 GLN 34 HG2 GLN 34 9.763 9.850 -5.862 97 HG3 GLN 34 HG1 GLN 34 10.066 9.940 -4.127 98 HE21 GLN 34 HE21 GLN 34 11.643 8.556 -6.995 99 HE22 GLN 34 HE22 GLN 34 13.224 9.144 -6.619 100 H LEU 35 HN LEU 35 10.066 5.036 -3.000 101 HA LEU 35 HA LEU 35 7.620 4.015 -3.930 102 HB2 LEU 35 HB2 LEU 35 9.760 2.920 -2.155 103 HB3 LEU 35 HB1 LEU 35 8.313 2.003 -2.489 104 HG LEU 35 HG LEU 35 10.501 1.697 -3.918 105 HD11 LEU 35 HD11 LEU 35 8.191 0.646 -4.157 106 HD12 LEU 35 HD12 LEU 35 9.232 0.687 -5.584 107 HD13 LEU 35 HD13 LEU 35 7.924 1.855 -5.413 108 HD21 LEU 35 HD21 LEU 35 9.111 3.943 -5.354 109 HD22 LEU 35 HD22 LEU 35 10.448 2.974 -5.986 110 HD23 LEU 35 HD23 LEU 35 10.701 4.025 -4.591 111 H GLU 36 HN GLU 36 8.798 4.472 -0.600 112 HA GLU 36 HA GLU 36 6.475 3.723 0.728 113 HB2 GLU 36 HB2 GLU 36 8.039 3.945 2.321 114 HB3 GLU 36 HB1 GLU 36 8.968 5.084 1.368 115 HG2 GLU 36 HG2 GLU 36 6.499 5.924 2.838 116 HG3 GLU 36 HG1 GLU 36 8.069 5.838 3.634 117 H LYS 37 HN LYS 37 7.393 6.771 -0.723 118 HA LYS 37 HA LYS 37 5.269 8.315 0.371 119 HB2 LYS 37 HB2 LYS 37 6.529 8.962 -2.272 120 HB3 LYS 37 HB1 LYS 37 5.999 10.053 -1.000 121 HG2 LYS 37 HG2 LYS 37 7.897 9.119 0.397 122 HG3 LYS 37 HG1 LYS 37 8.483 8.373 -1.091 123 HD2 LYS 37 HD2 LYS 37 9.630 10.445 -0.842 124 HD3 LYS 37 HD1 LYS 37 8.447 10.656 -2.135 125 HE2 LYS 37 HE2 LYS 37 7.837 12.498 -1.018 126 HE3 LYS 37 HE1 LYS 37 7.015 11.385 0.074 127 HZ1 LYS 37 HZ1 LYS 37 9.381 11.330 1.177 128 HZ2 LYS 37 HZ2 LYS 37 8.268 12.547 1.552 129 HZ3 LYS 37 HZ3 LYS 37 9.516 12.854 0.453 130 H ASN 38 HN ASN 38 5.765 6.879 -2.854 131 HA ASN 38 HA ASN 38 3.308 7.554 -3.962 132 HB2 ASN 38 HB2 ASN 38 5.528 6.088 -4.757 133 HB3 ASN 38 HB1 ASN 38 4.220 4.909 -4.789 134 HD21 ASN 38 HD21 ASN 38 3.235 4.757 -6.656 135 HD22 ASN 38 HD22 ASN 38 3.038 6.021 -7.817 136 H VAL 39 HN VAL 39 4.217 4.642 -2.140 137 HA VAL 39 HA VAL 39 1.766 3.307 -2.327 138 HB VAL 39 HB VAL 39 3.615 3.189 0.055 139 HG11 VAL 39 HG11 VAL 39 1.281 1.685 -0.837 140 HG12 VAL 39 HG12 VAL 39 2.040 1.763 0.753 141 HG13 VAL 39 HG13 VAL 39 2.672 0.663 -0.472 142 HG21 VAL 39 HG21 VAL 39 5.206 2.267 -1.193 143 HG22 VAL 39 HG22 VAL 39 4.263 2.658 -2.629 144 HG23 VAL 39 HG23 VAL 39 4.065 1.091 -1.845 145 H ARG 40 HN ARG 40 2.979 5.520 0.183 146 HA ARG 40 HA ARG 40 0.880 5.462 1.955 147 HB2 ARG 40 HB2 ARG 40 3.136 6.941 1.749 148 HB3 ARG 40 HB1 ARG 40 1.936 8.161 1.348 149 HG2 ARG 40 HG2 ARG 40 2.342 8.289 3.682 150 HG3 ARG 40 HG1 ARG 40 0.745 7.572 3.462 151 HD2 ARG 40 HD2 ARG 40 1.747 5.335 3.759 152 HD3 ARG 40 HD1 ARG 40 3.306 6.099 4.066 153 HE ARG 40 HE ARG 40 1.093 5.882 5.885 154 HH11 ARG 40 HH11 ARG 40 3.959 7.701 5.076 155 HH12 ARG 40 HH12 ARG 40 4.179 8.308 6.683 156 HH21 ARG 40 HH21 ARG 40 1.380 6.679 7.998 157 HH22 ARG 40 HH22 ARG 40 2.715 7.728 8.342 158 H ALA 41 HN ALA 41 1.179 7.481 -0.958 159 HA ALA 41 HA ALA 41 -1.252 8.844 -0.723 160 HB1 ALA 41 HB1 ALA 41 -0.276 8.087 -3.429 161 HB2 ALA 41 HB2 ALA 41 0.766 9.082 -2.412 162 HB3 ALA 41 HB3 ALA 41 -0.854 9.642 -2.829 163 H GLN 42 HN GLN 42 -0.477 5.839 -2.465 164 HA GLN 42 HA GLN 42 -3.086 5.327 -3.388 165 HB2 GLN 42 HB2 GLN 42 -0.678 3.585 -2.918 166 HB3 GLN 42 HB1 GLN 42 -2.206 2.893 -3.442 167 HG2 GLN 42 HG2 GLN 42 -1.449 3.255 -5.504 168 HG3 GLN 42 HG1 GLN 42 -1.885 4.938 -5.213 169 HE21 GLN 42 HE21 GLN 42 0.795 2.753 -4.398 170 HE22 GLN 42 HE22 GLN 42 2.051 3.854 -4.838 171 H LEU 43 HN LEU 43 -1.380 4.489 -0.430 172 HA LEU 43 HA LEU 43 -3.205 2.700 0.677 173 HB2 LEU 43 HB2 LEU 43 -1.433 4.715 2.058 174 HB3 LEU 43 HB1 LEU 43 -2.260 3.402 2.867 175 HG LEU 43 HG LEU 43 0.254 3.394 1.387 176 HD11 LEU 43 HD11 LEU 43 -0.444 2.667 3.817 177 HD12 LEU 43 HD12 LEU 43 0.860 1.854 2.952 178 HD13 LEU 43 HD13 LEU 43 -0.744 1.123 3.018 179 HD21 LEU 43 HD21 LEU 43 -0.074 1.068 0.521 180 HD22 LEU 43 HD22 LEU 43 -0.945 2.316 -0.371 181 HD23 LEU 43 HD23 LEU 43 -1.806 1.284 0.771 182 H SER 44 HN SER 44 -3.209 6.189 0.512 183 HA SER 44 HA SER 44 -5.493 6.442 2.275 184 HB2 SER 44 HB2 SER 44 -3.679 8.330 0.843 185 HB3 SER 44 HB1 SER 44 -5.285 8.905 1.291 186 HG SER 44 HG SER 44 -4.053 9.337 3.033 187 H THR 45 HN THR 45 -4.897 6.020 -1.090 188 HA THR 45 HA THR 45 -7.452 7.115 -1.914 189 HB THR 45 HB THR 45 -6.793 6.632 -4.141 190 HG1 THR 45 HG1 THR 45 -5.020 4.805 -2.942 191 HG21 THR 45 HG21 THR 45 -4.998 7.999 -2.442 192 HG22 THR 45 HG22 THR 45 -5.262 8.214 -4.173 193 HG23 THR 45 HG23 THR 45 -4.049 7.069 -3.601 194 H ILE 46 HN ILE 46 -6.188 4.086 -0.893 195 HA ILE 46 HA ILE 46 -7.735 2.222 -2.196 196 HB ILE 46 HB ILE 46 -6.850 2.264 0.693 197 HG12 ILE 46 HG12 ILE 46 -4.943 2.195 -0.707 198 HG13 ILE 46 HG11 ILE 46 -5.216 0.538 -0.219 199 HG21 ILE 46 HG21 ILE 46 -7.209 -0.187 0.664 200 HG22 ILE 46 HG22 ILE 46 -8.035 -0.011 -0.884 201 HG23 ILE 46 HG23 ILE 46 -8.699 0.742 0.561 202 HD11 ILE 46 HD11 ILE 46 -6.326 0.116 -2.377 203 HD12 ILE 46 HD12 ILE 46 -4.641 0.611 -2.545 204 HD13 ILE 46 HD13 ILE 46 -5.935 1.765 -2.865 205 H GLU 47 HN GLU 47 -9.626 1.025 -1.431 206 HA GLU 47 HA GLU 47 -11.867 2.673 -1.080 207 HB2 GLU 47 HB2 GLU 47 -11.757 -0.287 -0.525 208 HB3 GLU 47 HB1 GLU 47 -13.152 0.662 -1.019 209 HG2 GLU 47 HG2 GLU 47 -10.963 0.877 -2.904 210 HG3 GLU 47 HG1 GLU 47 -11.477 -0.791 -2.661 211 H SER 48 HN SER 48 -9.634 2.043 1.231 212 HA SER 48 HA SER 48 -11.068 1.244 3.478 213 HB2 SER 48 HB2 SER 48 -8.939 3.192 4.018 214 HB3 SER 48 HB1 SER 48 -9.112 1.525 4.564 215 HG SER 48 HG SER 48 -7.780 0.959 3.055 216 H ASP 49 HN ASP 49 -12.019 3.739 1.739 217 HA ASP 49 HA ASP 49 -12.315 5.784 3.723 218 HB2 ASP 49 HB2 ASP 49 -13.623 6.943 2.033 219 HB3 ASP 49 HB1 ASP 49 -12.149 6.298 1.316 220 H GLU 50 HN GLU 50 -13.339 3.213 4.501 221 HA GLU 50 HA GLU 50 -15.047 2.598 5.894 222 HB2 GLU 50 HB2 GLU 50 -15.774 5.197 5.500 223 HB3 GLU 50 HB1 GLU 50 -17.133 4.348 4.776 224 HG2 GLU 50 HG2 GLU 50 -16.256 3.359 7.402 225 HG3 GLU 50 HG1 GLU 50 -16.958 4.976 7.381 226 H VAL 51 HN VAL 51 -14.693 0.799 4.402 227 HA VAL 51 HA VAL 51 -17.160 0.194 2.955 228 HB VAL 51 HB VAL 51 -16.074 -0.648 1.028 229 HG11 VAL 51 HG11 VAL 51 -16.360 1.711 0.901 230 HG12 VAL 51 HG12 VAL 51 -14.777 1.337 0.218 231 HG13 VAL 51 HG13 VAL 51 -14.900 1.999 1.849 232 HG21 VAL 51 HG21 VAL 51 -14.181 -1.771 1.840 233 HG22 VAL 51 HG22 VAL 51 -13.537 -0.316 2.601 234 HG23 VAL 51 HG23 VAL 51 -13.532 -0.468 0.844 235 H THR 52 HN THR 52 -16.489 -2.314 2.014 236 HA THR 52 HA THR 52 -16.209 -3.796 4.529 237 HB THR 52 HB THR 52 -18.252 -4.203 3.231 238 HG1 THR 52 HG1 THR 52 -18.047 -6.113 4.032 239 HG21 THR 52 HG21 THR 52 -18.360 -4.697 1.061 240 HG22 THR 52 HG22 THR 52 -16.947 -5.749 1.128 241 HG23 THR 52 HG23 THR 52 -16.740 -4.004 0.985 242 HA PRO 53 HA PRO 53 -12.138 -4.773 2.787 243 HB2 PRO 53 HB2 PRO 53 -11.425 -5.670 5.452 244 HB3 PRO 53 HB1 PRO 53 -10.811 -4.284 4.549 245 HG2 PRO 53 HG2 PRO 53 -12.372 -4.055 6.772 246 HG3 PRO 53 HG1 PRO 53 -12.328 -2.844 5.478 247 HD2 PRO 53 HD2 PRO 53 -14.346 -4.995 5.996 248 HD3 PRO 53 HD1 PRO 53 -14.595 -3.314 5.479 249 H ASP 54 HN ASP 54 -12.035 -6.589 1.656 250 HA ASP 54 HA ASP 54 -12.052 -9.139 3.035 251 HB2 ASP 54 HB2 ASP 54 -14.162 -8.251 1.182 252 HB3 ASP 54 HB1 ASP 54 -13.488 -9.837 0.817 253 H ARG 55 HN ARG 55 -11.710 -10.912 1.138 254 HA ARG 55 HA ARG 55 -9.122 -10.676 0.275 255 HB2 ARG 55 HB2 ARG 55 -9.672 -12.452 -1.397 256 HB3 ARG 55 HB1 ARG 55 -10.218 -12.810 0.235 257 HG2 ARG 55 HG2 ARG 55 -12.173 -11.449 -1.495 258 HG3 ARG 55 HG1 ARG 55 -11.744 -13.097 -1.957 259 HD2 ARG 55 HD2 ARG 55 -12.090 -13.384 0.716 260 HD3 ARG 55 HD1 ARG 55 -13.258 -12.110 0.364 261 HE ARG 55 HE ARG 55 -13.422 -14.332 -1.444 262 HH11 ARG 55 HH11 ARG 55 -14.446 -13.105 1.659 263 HH12 ARG 55 HH12 ARG 55 -15.869 -14.090 1.719 264 HH21 ARG 55 HH21 ARG 55 -15.293 -15.628 -1.367 265 HH22 ARG 55 HH22 ARG 55 -16.350 -15.523 0.002 266 H ARG 56 HN ARG 56 -11.994 -9.392 -1.208 267 HA ARG 56 HA ARG 56 -10.761 -8.796 -3.728 268 HB2 ARG 56 HB2 ARG 56 -12.821 -7.470 -4.144 269 HB3 ARG 56 HB1 ARG 56 -13.153 -9.127 -3.660 270 HG2 ARG 56 HG2 ARG 56 -14.609 -8.193 -2.246 271 HG3 ARG 56 HG1 ARG 56 -13.186 -7.856 -1.259 272 HD2 ARG 56 HD2 ARG 56 -13.853 -5.721 -1.360 273 HD3 ARG 56 HD1 ARG 56 -13.189 -5.745 -2.993 274 HE ARG 56 HE ARG 56 -15.718 -6.628 -3.348 275 HH11 ARG 56 HH11 ARG 56 -14.377 -3.831 -1.749 276 HH12 ARG 56 HH12 ARG 56 -15.755 -2.832 -2.068 277 HH21 ARG 56 HH21 ARG 56 -17.532 -5.316 -3.768 278 HH22 ARG 56 HH22 ARG 56 -17.546 -3.675 -3.214 279 H PHE 57 HN PHE 57 -11.466 -7.026 -0.764 280 HA PHE 57 HA PHE 57 -10.689 -4.464 -1.661 281 HB2 PHE 57 HB2 PHE 57 -11.966 -4.890 0.430 282 HB3 PHE 57 HB1 PHE 57 -10.533 -5.633 1.128 283 HD1 PHE 57 HD2 PHE 57 -8.384 -4.086 1.090 284 HD2 PHE 57 HD1 PHE 57 -12.405 -2.701 0.922 285 HE1 PHE 57 HE2 PHE 57 -7.660 -1.895 1.938 286 HE2 PHE 57 HE1 PHE 57 -11.691 -0.505 1.776 287 HZ PHE 57 HZ PHE 57 -9.310 -0.103 2.280 288 H ARG 58 HN ARG 58 -8.995 -7.081 -0.020 289 HA ARG 58 HA ARG 58 -6.490 -5.960 0.317 290 HB2 ARG 58 HB2 ARG 58 -7.718 -8.517 0.453 291 HB3 ARG 58 HB1 ARG 58 -6.243 -8.699 -0.474 292 HG2 ARG 58 HG2 ARG 58 -5.591 -9.101 1.705 293 HG3 ARG 58 HG1 ARG 58 -5.123 -7.421 1.447 294 HD2 ARG 58 HD2 ARG 58 -6.162 -7.324 3.505 295 HD3 ARG 58 HD1 ARG 58 -7.476 -6.896 2.412 296 HE ARG 58 HE ARG 58 -8.549 -8.835 2.994 297 HH11 ARG 58 HH11 ARG 58 -5.233 -9.009 4.066 298 HH12 ARG 58 HH12 ARG 58 -5.472 -10.463 4.975 299 HH21 ARG 58 HH21 ARG 58 -8.866 -10.747 4.190 300 HH22 ARG 58 HH22 ARG 58 -7.534 -11.451 5.045 301 H ALA 59 HN ALA 59 -7.701 -7.854 -2.450 302 HA ALA 59 HA ALA 59 -5.415 -7.751 -4.034 303 HB1 ALA 59 HB1 ALA 59 -6.920 -8.203 -5.931 304 HB2 ALA 59 HB2 ALA 59 -8.304 -7.855 -4.895 305 HB3 ALA 59 HB3 ALA 59 -7.261 -9.232 -4.540 306 H ARG 60 HN ARG 60 -8.168 -5.513 -3.893 307 HA ARG 60 HA ARG 60 -7.499 -3.813 -5.968 308 HB2 ARG 60 HB2 ARG 60 -9.130 -3.647 -3.539 309 HB3 ARG 60 HB1 ARG 60 -8.493 -2.091 -4.055 310 HG2 ARG 60 HG2 ARG 60 -10.241 -1.984 -5.419 311 HG3 ARG 60 HG1 ARG 60 -9.418 -3.198 -6.400 312 HD2 ARG 60 HD2 ARG 60 -10.893 -4.318 -4.140 313 HD3 ARG 60 HD1 ARG 60 -11.914 -3.458 -5.291 314 HE ARG 60 HE ARG 60 -10.079 -5.299 -6.519 315 HH11 ARG 60 HH11 ARG 60 -13.223 -4.944 -5.046 316 HH12 ARG 60 HH12 ARG 60 -13.893 -6.324 -5.849 317 HH21 ARG 60 HH21 ARG 60 -10.960 -7.115 -7.576 318 HH22 ARG 60 HH22 ARG 60 -12.609 -7.557 -7.284 319 H VAL 61 HN VAL 61 -6.509 -3.580 -2.553 320 HA VAL 61 HA VAL 61 -4.833 -1.327 -2.924 321 HB VAL 61 HB VAL 61 -4.396 -3.393 -0.782 322 HG11 VAL 61 HG11 VAL 61 -3.794 -0.497 -1.138 323 HG12 VAL 61 HG12 VAL 61 -2.756 -1.800 -0.561 324 HG13 VAL 61 HG13 VAL 61 -4.016 -1.147 0.486 325 HG21 VAL 61 HG21 VAL 61 -6.035 -1.815 0.510 326 HG22 VAL 61 HG22 VAL 61 -6.650 -3.145 -0.471 327 HG23 VAL 61 HG23 VAL 61 -6.667 -1.501 -1.106 328 H ASP 62 HN ASP 62 -4.254 -4.814 -2.938 329 HA ASP 62 HA ASP 62 -1.469 -4.763 -3.131 330 HB2 ASP 62 HB2 ASP 62 -3.011 -6.786 -2.779 331 HB3 ASP 62 HB1 ASP 62 -3.203 -6.799 -4.527 332 H ASP 63 HN ASP 63 -3.977 -4.530 -5.586 333 HA ASP 63 HA ASP 63 -2.187 -4.563 -7.809 334 HB2 ASP 63 HB2 ASP 63 -4.714 -5.105 -7.767 335 HB3 ASP 63 HB1 ASP 63 -4.951 -3.363 -7.842 336 H ALA 64 HN ALA 64 -3.984 -1.992 -6.127 337 HA ALA 64 HA ALA 64 -3.083 0.159 -7.664 338 HB1 ALA 64 HB1 ALA 64 -3.505 1.475 -5.479 339 HB2 ALA 64 HB2 ALA 64 -4.069 -0.070 -4.841 340 HB3 ALA 64 HB3 ALA 64 -4.862 0.648 -6.244 341 H ILE 65 HN ILE 65 -1.745 -1.153 -4.618 342 HA ILE 65 HA ILE 65 0.416 0.602 -4.381 343 HB ILE 65 HB ILE 65 0.091 -2.272 -3.516 344 HG12 ILE 65 HG12 ILE 65 -0.566 -1.461 -1.491 345 HG13 ILE 65 HG11 ILE 65 0.552 -0.106 -1.553 346 HG21 ILE 65 HG21 ILE 65 2.149 -2.055 -2.207 347 HG22 ILE 65 HG22 ILE 65 2.438 -0.469 -2.921 348 HG23 ILE 65 HG23 ILE 65 2.472 -1.911 -3.936 349 HD11 ILE 65 HD11 ILE 65 -2.125 -0.286 -2.913 350 HD12 ILE 65 HD12 ILE 65 -0.995 1.055 -3.080 351 HD13 ILE 65 HD13 ILE 65 -1.710 0.695 -1.510 352 H ARG 66 HN ARG 66 0.286 -2.614 -5.879 353 HA ARG 66 HA ARG 66 2.875 -2.697 -6.897 354 HB2 ARG 66 HB2 ARG 66 1.388 -4.642 -6.803 355 HB3 ARG 66 HB1 ARG 66 0.311 -3.901 -7.974 356 HG2 ARG 66 HG2 ARG 66 1.783 -4.234 -9.732 357 HG3 ARG 66 HG1 ARG 66 3.166 -4.433 -8.655 358 HD2 ARG 66 HD2 ARG 66 2.603 -6.600 -8.109 359 HD3 ARG 66 HD1 ARG 66 0.900 -6.364 -8.496 360 HE ARG 66 HE ARG 66 2.609 -6.170 -10.789 361 HH11 ARG 66 HH11 ARG 66 0.896 -8.383 -8.704 362 HH12 ARG 66 HH12 ARG 66 0.778 -9.622 -9.908 363 HH21 ARG 66 HH21 ARG 66 2.454 -7.798 -12.374 364 HH22 ARG 66 HH22 ARG 66 1.663 -9.290 -11.992 365 H GLU 67 HN GLU 67 -0.035 -1.149 -8.117 366 HA GLU 67 HA GLU 67 0.866 -0.640 -10.739 367 HB2 GLU 67 HB2 GLU 67 -1.233 0.140 -10.924 368 HB3 GLU 67 HB1 GLU 67 -1.458 -0.192 -9.223 369 HG2 GLU 67 HG2 GLU 67 -1.173 2.009 -8.621 370 HG3 GLU 67 HG1 GLU 67 -0.263 2.396 -10.074 371 H GLY 68 HN GLY 68 0.659 1.555 -7.939 372 HA2 GLY 68 HA2 GLY 68 2.265 3.578 -9.106 373 HA3 GLY 68 HA1 GLY 68 1.897 3.420 -7.392 374 H LEU 69 HN LEU 69 2.959 0.864 -6.981 375 HA LEU 69 HA LEU 69 5.654 1.440 -6.450 376 HB2 LEU 69 HB2 LEU 69 4.034 -1.089 -6.455 377 HB3 LEU 69 HB1 LEU 69 5.736 -1.159 -6.150 378 HG LEU 69 HG LEU 69 3.589 0.032 -4.446 379 HD11 LEU 69 HD11 LEU 69 4.511 -2.337 -4.236 380 HD12 LEU 69 HD12 LEU 69 4.463 -1.352 -2.775 381 HD13 LEU 69 HD13 LEU 69 5.985 -1.579 -3.636 382 HD21 LEU 69 HD21 LEU 69 4.920 1.854 -4.213 383 HD22 LEU 69 HD22 LEU 69 6.366 1.000 -4.733 384 HD23 LEU 69 HD23 LEU 69 5.769 0.791 -3.092 385 H LYS 70 HN LYS 70 4.052 -0.286 -9.034 386 HA LYS 70 HA LYS 70 6.387 -1.252 -10.289 387 HB2 LYS 70 HB2 LYS 70 4.287 -2.307 -10.752 388 HB3 LYS 70 HB1 LYS 70 3.589 -0.791 -11.304 389 HG2 LYS 70 HG2 LYS 70 4.695 -0.857 -13.318 390 HG3 LYS 70 HG1 LYS 70 5.962 -1.926 -12.709 391 HD2 LYS 70 HD2 LYS 70 4.755 -3.794 -13.107 392 HD3 LYS 70 HD1 LYS 70 3.231 -3.030 -12.647 393 HE2 LYS 70 HE2 LYS 70 3.155 -1.870 -14.783 394 HE3 LYS 70 HE1 LYS 70 4.700 -2.591 -15.242 395 HZ1 LYS 70 HZ1 LYS 70 2.042 -3.780 -15.169 396 HZ2 LYS 70 HZ2 LYS 70 3.319 -4.776 -14.679 397 HZ3 LYS 70 HZ3 LYS 70 3.334 -4.078 -16.220 398 H ALA 71 HN ALA 71 4.876 1.818 -10.207 399 HA ALA 71 HA ALA 71 6.172 2.724 -12.648 400 HB1 ALA 71 HB1 ALA 71 4.980 4.933 -11.733 401 HB2 ALA 71 HB2 ALA 71 4.007 3.712 -10.911 402 HB3 ALA 71 HB3 ALA 71 4.140 3.695 -12.670 403 H LEU 72 HN LEU 72 7.086 2.427 -9.457 404 HA LEU 72 HA LEU 72 8.837 4.791 -9.628 405 HB2 LEU 72 HB2 LEU 72 8.353 3.294 -7.086 406 HB3 LEU 72 HB1 LEU 72 8.871 4.954 -7.309 407 HG LEU 72 HG LEU 72 6.211 4.395 -8.386 408 HD11 LEU 72 HD11 LEU 72 6.368 4.522 -5.413 409 HD12 LEU 72 HD12 LEU 72 6.514 2.971 -6.232 410 HD13 LEU 72 HD13 LEU 72 5.060 3.945 -6.447 411 HD21 LEU 72 HD21 LEU 72 7.591 6.612 -7.823 412 HD22 LEU 72 HD22 LEU 72 6.720 6.428 -6.300 413 HD23 LEU 72 HD23 LEU 72 5.828 6.555 -7.816 414 H GLY 73 HN GLY 73 9.091 1.830 -10.567 415 HA2 GLY 73 HA2 GLY 73 11.484 1.225 -11.017 416 HA3 GLY 73 HA1 GLY 73 11.720 1.397 -9.296 417 H TYR 74 HN TYR 74 8.843 0.042 -9.195 418 HA TYR 74 HA TYR 74 10.002 -2.637 -9.063 419 HB2 TYR 74 HB2 TYR 74 7.406 -1.529 -7.992 420 HB3 TYR 74 HB1 TYR 74 7.925 -3.192 -7.816 421 HD1 TYR 74 HD1 TYR 74 10.806 -1.207 -7.621 422 HD2 TYR 74 HD2 TYR 74 7.386 -2.315 -5.345 423 HE1 TYR 74 HE1 TYR 74 11.986 -0.598 -5.558 424 HE2 TYR 74 HE2 TYR 74 8.567 -1.722 -3.277 425 HH TYR 74 HH TYR 74 11.490 0.031 -3.265 426 H TYR 75 HN TYR 75 8.386 -4.455 -9.608 427 HA TYR 75 HA TYR 75 6.998 -3.797 -12.123 428 HB2 TYR 75 HB2 TYR 75 8.939 -5.976 -11.498 429 HB3 TYR 75 HB1 TYR 75 7.625 -6.326 -12.618 430 HD1 TYR 75 HD2 TYR 75 7.299 -4.538 -14.528 431 HD2 TYR 75 HD1 TYR 75 10.898 -5.094 -12.333 432 HE1 TYR 75 HE2 TYR 75 8.563 -3.475 -16.350 433 HE2 TYR 75 HE1 TYR 75 12.177 -4.032 -14.148 434 HH TYR 75 HH TYR 75 11.439 -3.763 -17.006 435 H GLN 76 HN GLN 76 7.262 -6.534 -9.824 436 HA GLN 76 HA GLN 76 4.352 -6.451 -9.524 437 HB2 GLN 76 HB2 GLN 76 5.791 -9.055 -10.003 438 HB3 GLN 76 HB1 GLN 76 4.057 -8.770 -9.961 439 HG2 GLN 76 HG2 GLN 76 4.358 -7.326 -11.998 440 HG3 GLN 76 HG1 GLN 76 6.012 -7.932 -12.081 441 HE21 GLN 76 HE21 GLN 76 3.758 -8.236 -13.940 442 HE22 GLN 76 HE22 GLN 76 3.551 -9.938 -14.150 443 HA PRO 77 HA PRO 77 7.057 -6.949 -5.578 444 HB2 PRO 77 HB2 PRO 77 5.019 -4.900 -4.841 445 HB3 PRO 77 HB1 PRO 77 6.722 -5.011 -4.382 446 HG2 PRO 77 HG2 PRO 77 5.896 -3.283 -6.232 447 HG3 PRO 77 HG1 PRO 77 7.450 -4.121 -6.369 448 HD2 PRO 77 HD2 PRO 77 4.925 -4.559 -7.868 449 HD3 PRO 77 HD1 PRO 77 6.606 -4.812 -8.378 450 H THR 78 HN THR 78 6.458 -8.356 -4.017 451 HA THR 78 HA THR 78 3.766 -9.406 -4.055 452 HB THR 78 HB THR 78 5.870 -10.080 -2.004 453 HG1 THR 78 HG1 THR 78 6.729 -11.554 -3.447 454 HG21 THR 78 HG21 THR 78 4.623 -12.377 -2.964 455 HG22 THR 78 HG22 THR 78 3.334 -11.192 -2.752 456 HG23 THR 78 HG23 THR 78 4.388 -11.601 -1.398 457 H ILE 79 HN ILE 79 2.288 -8.039 -3.217 458 HA ILE 79 HA ILE 79 2.927 -6.743 -0.660 459 HB ILE 79 HB ILE 79 0.879 -5.926 -2.723 460 HG12 ILE 79 HG12 ILE 79 3.087 -4.101 -2.090 461 HG13 ILE 79 HG11 ILE 79 3.618 -5.610 -2.821 462 HG21 ILE 79 HG21 ILE 79 0.235 -5.355 -0.416 463 HG22 ILE 79 HG22 ILE 79 0.578 -3.924 -1.389 464 HG23 ILE 79 HG23 ILE 79 1.764 -4.499 -0.217 465 HD11 ILE 79 HD11 ILE 79 1.519 -3.805 -3.996 466 HD12 ILE 79 HD12 ILE 79 2.254 -5.221 -4.748 467 HD13 ILE 79 HD13 ILE 79 3.227 -3.780 -4.442 468 H GLU 80 HN GLU 80 1.940 -7.401 1.090 469 HA GLU 80 HA GLU 80 -0.619 -8.841 0.843 470 HB2 GLU 80 HB2 GLU 80 1.753 -9.787 1.908 471 HB3 GLU 80 HB1 GLU 80 0.859 -9.273 3.331 472 HG2 GLU 80 HG2 GLU 80 -1.070 -10.623 2.047 473 HG3 GLU 80 HG1 GLU 80 0.348 -11.494 1.466 474 H PHE 81 HN PHE 81 -1.751 -8.790 3.163 475 HA PHE 81 HA PHE 81 -1.428 -6.209 4.452 476 HB2 PHE 81 HB2 PHE 81 -4.053 -6.975 3.164 477 HB3 PHE 81 HB1 PHE 81 -3.740 -5.522 4.106 478 HD1 PHE 81 HD1 PHE 81 -2.441 -3.696 3.188 479 HD2 PHE 81 HD2 PHE 81 -3.255 -7.192 0.903 480 HE1 PHE 81 HE1 PHE 81 -1.763 -2.511 1.141 481 HE2 PHE 81 HE2 PHE 81 -2.576 -6.014 -1.145 482 HZ PHE 81 HZ PHE 81 -1.829 -3.673 -1.031 483 H ASP 82 HN ASP 82 -2.425 -6.029 6.465 484 HA ASP 82 HA ASP 82 -3.707 -8.449 7.527 485 HB2 ASP 82 HB2 ASP 82 -1.286 -8.413 8.153 486 HB3 ASP 82 HB1 ASP 82 -1.564 -6.889 8.988 487 H LEU 83 HN LEU 83 -5.715 -7.517 7.595 488 HA LEU 83 HA LEU 83 -6.135 -4.900 8.693 489 HB2 LEU 83 HB2 LEU 83 -7.548 -5.595 6.921 490 HB3 LEU 83 HB1 LEU 83 -7.958 -7.088 7.742 491 HG LEU 83 HG LEU 83 -9.149 -5.722 9.475 492 HD11 LEU 83 HD11 LEU 83 -9.273 -3.478 9.403 493 HD12 LEU 83 HD12 LEU 83 -9.351 -3.435 7.641 494 HD13 LEU 83 HD13 LEU 83 -7.794 -3.612 8.452 495 HD21 LEU 83 HD21 LEU 83 -9.927 -6.553 6.938 496 HD22 LEU 83 HD22 LEU 83 -10.588 -4.925 7.106 497 HD23 LEU 83 HD23 LEU 83 -10.981 -6.164 8.299 498 H ARG 84 HN ARG 84 -7.249 -4.366 10.562 499 HA ARG 84 HA ARG 84 -7.881 -6.440 12.485 500 HB2 ARG 84 HB2 ARG 84 -6.589 -5.011 14.232 501 HB3 ARG 84 HB1 ARG 84 -5.716 -6.178 13.258 502 HG2 ARG 84 HG2 ARG 84 -5.942 -3.387 12.293 503 HG3 ARG 84 HG1 ARG 84 -4.829 -3.743 13.617 504 HD2 ARG 84 HD2 ARG 84 -4.698 -5.622 11.379 505 HD3 ARG 84 HD1 ARG 84 -4.259 -3.969 10.974 506 HE ARG 84 HE ARG 84 -2.442 -4.094 12.450 507 HH11 ARG 84 HH11 ARG 84 -4.243 -7.090 12.349 508 HH12 ARG 84 HH12 ARG 84 -2.988 -8.009 13.104 509 HH21 ARG 84 HH21 ARG 84 -0.799 -5.311 13.446 510 HH22 ARG 84 HH22 ARG 84 -1.037 -7.003 13.726 511 HA PRO 85 HA PRO 85 -11.244 -3.402 12.455 512 HB2 PRO 85 HB2 PRO 85 -12.161 -5.392 14.476 513 HB3 PRO 85 HB1 PRO 85 -13.051 -4.652 13.141 514 HG2 PRO 85 HG2 PRO 85 -12.173 -7.158 12.961 515 HG3 PRO 85 HG1 PRO 85 -12.123 -6.072 11.560 516 HD2 PRO 85 HD2 PRO 85 -9.907 -6.991 13.326 517 HD3 PRO 85 HD1 PRO 85 -9.893 -6.624 11.591 518 HA PRO 86 HA PRO 86 -10.460 -2.495 17.030 519 HB2 PRO 86 HB2 PRO 86 -9.233 -4.290 18.599 520 HB3 PRO 86 HB1 PRO 86 -10.902 -4.516 18.065 521 HG2 PRO 86 HG2 PRO 86 -8.487 -5.978 17.271 522 HG3 PRO 86 HG1 PRO 86 -10.187 -6.429 17.066 523 HD2 PRO 86 HD2 PRO 86 -8.365 -5.166 15.156 524 HD3 PRO 86 HD1 PRO 86 -9.956 -5.893 14.867 525 HA PRO 87 HA PRO 87 -5.943 -1.601 15.867 526 HB2 PRO 87 HB2 PRO 87 -6.326 1.092 15.555 527 HB3 PRO 87 HB1 PRO 87 -6.439 -0.077 14.235 528 HG2 PRO 87 HG2 PRO 87 -8.623 1.153 15.866 529 HG3 PRO 87 HG1 PRO 87 -8.554 0.880 14.116 530 HD2 PRO 87 HD2 PRO 87 -9.940 -0.746 15.737 531 HD3 PRO 87 HD1 PRO 87 -9.066 -1.373 14.325 532 H LYS 88 HN LYS 88 -4.556 0.155 16.947 533 HA LYS 88 HA LYS 88 -5.314 0.226 19.766 534 HB2 LYS 88 HB2 LYS 88 -3.116 0.052 20.282 535 HB3 LYS 88 HB1 LYS 88 -3.011 -0.581 18.648 536 HG2 LYS 88 HG2 LYS 88 -2.477 2.283 19.422 537 HG3 LYS 88 HG1 LYS 88 -1.243 1.048 19.180 538 HD2 LYS 88 HD2 LYS 88 -2.804 0.938 16.879 539 HD3 LYS 88 HD1 LYS 88 -2.651 2.661 17.230 540 HE2 LYS 88 HE2 LYS 88 -0.262 2.511 17.237 541 HE3 LYS 88 HE1 LYS 88 -0.322 0.752 17.127 542 HZ1 LYS 88 HZ1 LYS 88 0.004 1.229 14.956 543 HZ2 LYS 88 HZ2 LYS 88 -0.711 2.759 15.049 544 HZ3 LYS 88 HZ3 LYS 88 -1.682 1.377 14.957 545 H LYS 89 HN LYS 89 -4.706 2.371 17.083 546 HA LYS 89 HA LYS 89 -5.298 4.641 18.857 547 HB2 LYS 89 HB2 LYS 89 -2.863 4.445 18.107 548 HB3 LYS 89 HB1 LYS 89 -3.448 4.855 16.501 549 HG2 LYS 89 HG2 LYS 89 -4.498 6.731 18.377 550 HG3 LYS 89 HG1 LYS 89 -2.753 6.596 18.602 551 HD2 LYS 89 HD2 LYS 89 -2.860 6.705 15.919 552 HD3 LYS 89 HD1 LYS 89 -4.301 7.645 16.313 553 HE2 LYS 89 HE2 LYS 89 -2.791 9.334 16.377 554 HE3 LYS 89 HE1 LYS 89 -2.595 8.762 18.034 555 HZ1 LYS 89 HZ1 LYS 89 -0.835 7.217 16.837 556 HZ2 LYS 89 HZ2 LYS 89 -0.438 8.764 17.393 557 HZ3 LYS 89 HZ3 LYS 89 -0.787 8.519 15.757 558 H GLY 90 HN GLY 90 -7.124 3.125 17.174 559 HA2 GLY 90 HA2 GLY 90 -8.378 5.361 15.918 560 HA3 GLY 90 HA1 GLY 90 -7.682 4.267 14.740 561 H ARG 91 HN ARG 91 -9.792 3.874 13.924 562 HA ARG 91 HA ARG 91 -11.564 2.335 15.684 563 HB2 ARG 91 HB2 ARG 91 -11.989 3.931 13.191 564 HB3 ARG 91 HB1 ARG 91 -13.113 2.636 13.583 565 HG2 ARG 91 HG2 ARG 91 -14.022 4.658 14.429 566 HG3 ARG 91 HG1 ARG 91 -13.458 3.712 15.807 567 HD2 ARG 91 HD2 ARG 91 -11.305 5.337 14.932 568 HD3 ARG 91 HD1 ARG 91 -12.738 6.358 15.042 569 HE ARG 91 HE ARG 91 -12.589 4.799 17.358 570 HH11 ARG 91 HH11 ARG 91 -10.850 7.390 15.797 571 HH12 ARG 91 HH12 ARG 91 -10.259 8.056 17.282 572 HH21 ARG 91 HH21 ARG 91 -11.814 5.674 19.312 573 HH22 ARG 91 HH22 ARG 91 -10.806 7.083 19.278 574 H GLN 92 HN GLN 92 -10.044 2.260 12.492 575 HA GLN 92 HA GLN 92 -9.937 -0.651 12.603 576 HB2 GLN 92 HB2 GLN 92 -11.779 0.831 10.929 577 HB3 GLN 92 HB1 GLN 92 -10.655 -0.089 9.940 578 HG2 GLN 92 HG2 GLN 92 -11.684 -1.666 12.129 579 HG3 GLN 92 HG1 GLN 92 -12.978 -1.011 11.130 580 HE21 GLN 92 HE21 GLN 92 -12.720 -3.665 11.171 581 HE22 GLN 92 HE22 GLN 92 -12.047 -4.253 9.693 582 H VAL 93 HN VAL 93 -7.929 -1.319 11.923 583 HA VAL 93 HA VAL 93 -6.513 0.501 10.086 584 HB VAL 93 HB VAL 93 -5.726 0.596 12.527 585 HG11 VAL 93 HG11 VAL 93 -4.559 -2.052 11.724 586 HG12 VAL 93 HG12 VAL 93 -5.597 -1.696 13.106 587 HG13 VAL 93 HG13 VAL 93 -3.949 -1.072 13.056 588 HG21 VAL 93 HG21 VAL 93 -3.384 -0.023 10.853 589 HG22 VAL 93 HG22 VAL 93 -3.776 1.432 11.769 590 HG23 VAL 93 HG23 VAL 93 -4.520 1.154 10.194 591 H LEU 94 HN LEU 94 -5.214 -0.364 8.539 592 HA LEU 94 HA LEU 94 -5.055 -3.290 8.364 593 HB2 LEU 94 HB2 LEU 94 -6.919 -2.649 6.973 594 HB3 LEU 94 HB1 LEU 94 -5.973 -1.393 6.204 595 HG LEU 94 HG LEU 94 -6.447 -3.687 5.002 596 HD11 LEU 94 HD11 LEU 94 -3.728 -2.394 4.930 597 HD12 LEU 94 HD12 LEU 94 -5.165 -1.795 4.101 598 HD13 LEU 94 HD13 LEU 94 -4.475 -3.355 3.654 599 HD21 LEU 94 HD21 LEU 94 -5.123 -4.721 7.098 600 HD22 LEU 94 HD22 LEU 94 -3.785 -4.476 5.983 601 HD23 LEU 94 HD23 LEU 94 -5.162 -5.467 5.504 602 H ILE 95 HN ILE 95 -2.987 -3.849 8.236 603 HA ILE 95 HA ILE 95 -0.963 -1.941 7.500 604 HB ILE 95 HB ILE 95 -0.626 -4.879 8.094 605 HG12 ILE 95 HG12 ILE 95 0.098 -2.892 10.143 606 HG13 ILE 95 HG11 ILE 95 -1.629 -3.018 9.827 607 HG21 ILE 95 HG21 ILE 95 1.278 -2.575 7.849 608 HG22 ILE 95 HG22 ILE 95 1.344 -4.157 7.072 609 HG23 ILE 95 HG23 ILE 95 1.683 -4.007 8.796 610 HD11 ILE 95 HD11 ILE 95 -0.651 -4.472 11.665 611 HD12 ILE 95 HD12 ILE 95 0.050 -5.435 10.365 612 HD13 ILE 95 HD13 ILE 95 -1.700 -5.253 10.483 613 H ALA 96 HN ALA 96 0.481 -2.065 5.775 614 HA ALA 96 HA ALA 96 -0.205 -3.952 3.626 615 HB1 ALA 96 HB1 ALA 96 0.016 -2.188 1.964 616 HB2 ALA 96 HB2 ALA 96 0.322 -1.008 3.238 617 HB3 ALA 96 HB3 ALA 96 -1.252 -1.795 3.125 618 H LYS 97 HN LYS 97 1.544 -5.212 3.518 619 HA LYS 97 HA LYS 97 4.201 -3.949 3.621 620 HB2 LYS 97 HB2 LYS 97 3.673 -6.904 3.852 621 HB3 LYS 97 HB1 LYS 97 5.096 -6.005 4.362 622 HG2 LYS 97 HG2 LYS 97 3.921 -5.039 6.197 623 HG3 LYS 97 HG1 LYS 97 2.382 -5.681 5.619 624 HD2 LYS 97 HD2 LYS 97 4.730 -7.366 6.485 625 HD3 LYS 97 HD1 LYS 97 3.345 -6.973 7.505 626 HE2 LYS 97 HE2 LYS 97 1.878 -8.026 5.778 627 HE3 LYS 97 HE1 LYS 97 3.336 -8.553 4.939 628 HZ1 LYS 97 HZ1 LYS 97 3.960 -9.667 7.096 629 HZ2 LYS 97 HZ2 LYS 97 2.659 -10.353 6.260 630 HZ3 LYS 97 HZ3 LYS 97 2.375 -9.380 7.614 631 H VAL 98 HN VAL 98 5.765 -4.470 2.048 632 HA VAL 98 HA VAL 98 4.818 -5.947 -0.304 633 HB VAL 98 HB VAL 98 4.397 -3.563 -0.740 634 HG11 VAL 98 HG11 VAL 98 6.870 -2.439 -1.182 635 HG12 VAL 98 HG12 VAL 98 7.085 -3.304 0.340 636 HG13 VAL 98 HG13 VAL 98 5.805 -2.101 0.181 637 HG21 VAL 98 HG21 VAL 98 5.536 -5.366 -2.412 638 HG22 VAL 98 HG22 VAL 98 6.681 -4.030 -2.527 639 HG23 VAL 98 HG23 VAL 98 4.978 -3.768 -2.902 640 H THR 99 HN THR 99 6.462 -6.817 -1.623 641 HA THR 99 HA THR 99 9.233 -6.442 -0.920 642 HB THR 99 HB THR 99 7.935 -9.145 -0.522 643 HG1 THR 99 HG1 THR 99 7.974 -8.726 1.546 644 HG21 THR 99 HG21 THR 99 10.795 -8.279 -0.193 645 HG22 THR 99 HG22 THR 99 10.162 -9.471 -1.329 646 HG23 THR 99 HG23 THR 99 10.130 -9.799 0.403 647 HA PRO 100 HA PRO 100 8.742 -7.602 -5.299 648 HB2 PRO 100 HB2 PRO 100 10.332 -5.440 -6.138 649 HB3 PRO 100 HB1 PRO 100 8.574 -5.516 -6.135 650 HG2 PRO 100 HG2 PRO 100 10.180 -3.844 -4.538 651 HG3 PRO 100 HG1 PRO 100 8.443 -4.125 -4.360 652 HD2 PRO 100 HD2 PRO 100 10.716 -5.315 -2.855 653 HD3 PRO 100 HD1 PRO 100 9.062 -4.954 -2.314 654 H GLY 101 HN GLY 101 11.826 -5.871 -4.953 655 HA2 GLY 101 HA2 GLY 101 13.663 -7.673 -4.320 656 HA3 GLY 101 HA1 GLY 101 13.183 -8.277 -5.896 657 H VAL 102 HN VAL 102 13.046 -6.242 -7.543 658 HA VAL 102 HA VAL 102 15.714 -5.012 -7.357 659 HB VAL 102 HB VAL 102 15.220 -6.629 -9.248 660 HG11 VAL 102 HG11 VAL 102 12.953 -5.843 -9.756 661 HG12 VAL 102 HG12 VAL 102 14.001 -5.772 -11.173 662 HG13 VAL 102 HG13 VAL 102 13.613 -4.296 -10.289 663 HG21 VAL 102 HG21 VAL 102 16.645 -5.499 -10.705 664 HG22 VAL 102 HG22 VAL 102 17.012 -4.784 -9.135 665 HG23 VAL 102 HG23 VAL 102 15.985 -3.920 -10.279 666 H LEU 103 HN LEU 103 16.045 -2.876 -7.907 667 HA LEU 103 HA LEU 103 13.717 -1.215 -8.492 668 HB2 LEU 103 HB2 LEU 103 13.832 -1.090 -6.103 669 HB3 LEU 103 HB1 LEU 103 15.564 -0.833 -6.140 670 HG LEU 103 HG LEU 103 15.369 1.399 -6.526 671 HD11 LEU 103 HD11 LEU 103 14.483 1.685 -8.599 672 HD12 LEU 103 HD12 LEU 103 13.121 2.265 -7.640 673 HD13 LEU 103 HD13 LEU 103 13.112 0.623 -8.282 674 HD21 LEU 103 HD21 LEU 103 12.553 1.413 -5.686 675 HD22 LEU 103 HD22 LEU 103 13.958 2.209 -4.976 676 HD23 LEU 103 HD23 LEU 103 13.653 0.503 -4.649 677 H GLU 104 HN GLU 104 14.231 -0.160 -10.282 678 HA GLU 104 HA GLU 104 17.032 0.547 -10.778 679 HB2 GLU 104 HB2 GLU 104 14.636 0.341 -12.601 680 HB3 GLU 104 HB1 GLU 104 16.174 1.017 -13.119 681 HG2 GLU 104 HG2 GLU 104 17.199 -1.193 -12.358 682 HG3 GLU 104 HG1 GLU 104 15.544 -1.799 -12.316 683 H HIS 105 HN HIS 105 17.718 2.592 -10.710 684 HA HIS 105 HA HIS 105 15.898 4.670 -9.913 685 HB2 HIS 105 HB2 HIS 105 17.966 6.094 -9.923 686 HB3 HIS 105 HB1 HIS 105 18.074 4.664 -8.902 687 HD1 HIS 105 HD1 HIS 105 19.486 6.194 -11.997 688 HD2 HIS 105 HD2 HIS 105 19.917 2.722 -9.755 689 HE1 HIS 105 HE1 HIS 105 21.573 5.090 -12.862 690 HE2 HIS 105 HE2 HIS 105 21.767 2.949 -11.548 691 H HIS 106 HN HIS 106 16.077 6.867 -11.000 692 HA HIS 106 HA HIS 106 16.691 6.962 -13.786 693 HB2 HIS 106 HB2 HIS 106 13.909 6.404 -12.919 694 HB3 HIS 106 HB1 HIS 106 14.109 7.616 -14.180 695 HD1 HIS 106 HD1 HIS 106 13.141 4.376 -14.122 696 HD2 HIS 106 HD2 HIS 106 16.333 6.215 -16.044 697 HE1 HIS 106 HE1 HIS 106 13.752 2.848 -16.024 698 HE2 HIS 106 HE2 HIS 106 15.740 3.940 -17.121 699 H HIS 107 HN HIS 107 17.759 8.849 -13.494 700 HA HIS 107 HA HIS 107 16.421 11.051 -12.114 701 HB2 HIS 107 HB2 HIS 107 19.254 10.632 -13.056 702 HB3 HIS 107 HB1 HIS 107 18.679 12.190 -12.474 703 HD1 HIS 107 HD1 HIS 107 20.081 12.259 -10.363 704 HD2 HIS 107 HD2 HIS 107 17.750 8.832 -10.664 705 HE1 HIS 107 HE1 HIS 107 20.242 11.137 -8.118 706 HE2 HIS 107 HE2 HIS 107 18.893 9.022 -8.352 707 H HIS 108 HN HIS 108 15.312 12.513 -13.217 708 HA HIS 108 HA HIS 108 16.162 13.185 -15.947 709 HB2 HIS 108 HB2 HIS 108 13.796 13.269 -16.659 710 HB3 HIS 108 HB1 HIS 108 14.288 11.648 -16.179 711 HD1 HIS 108 HD1 HIS 108 11.819 14.258 -15.483 712 HD2 HIS 108 HD2 HIS 108 13.271 10.863 -13.578 713 HE1 HIS 108 HE1 HIS 108 10.141 13.725 -13.688 714 HE2 HIS 108 HE2 HIS 108 11.085 11.718 -12.493 715 H HIS 109 HN HIS 109 16.667 14.572 -13.504 716 HA HIS 109 HA HIS 109 15.224 17.067 -14.078 717 HB2 HIS 109 HB2 HIS 109 14.434 15.835 -11.959 718 HB3 HIS 109 HB1 HIS 109 15.989 16.290 -11.271 719 HD1 HIS 109 HD1 HIS 109 16.072 18.512 -10.169 720 HD2 HIS 109 HD2 HIS 109 12.885 18.204 -12.817 721 HE1 HIS 109 HE1 HIS 109 14.760 20.640 -9.892 722 HE2 HIS 109 HE2 HIS 109 12.886 20.468 -11.568 723 H HIS 110 HN HIS 110 16.372 19.007 -13.321 724 HA HIS 110 HA HIS 110 19.093 18.949 -14.106 725 HB2 HIS 110 HB2 HIS 110 17.536 21.130 -12.700 726 HB3 HIS 110 HB1 HIS 110 19.109 21.333 -13.465 727 HD1 HIS 110 HD1 HIS 110 19.123 21.851 -15.915 728 HD2 HIS 110 HD2 HIS 110 15.408 20.549 -14.586 729 HE1 HIS 110 HE1 HIS 110 17.559 22.186 -17.856 730 HE2 HIS 110 HE2 HIS 110 15.336 21.310 -17.057 Start of MODEL 9 1 H1 ALA 22 HT1 ALA 22 -13.898 3.892 9.571 2 H2 ALA 22 HT2 ALA 22 -13.714 5.518 9.052 3 H3 ALA 22 HT3 ALA 22 -15.273 4.801 9.102 4 HA ALA 22 HA ALA 22 -15.058 6.229 10.925 5 HB1 ALA 22 HB1 ALA 22 -16.348 4.538 11.701 6 HB2 ALA 22 HB2 ALA 22 -14.966 4.297 12.770 7 HB3 ALA 22 HB3 ALA 22 -15.147 3.301 11.326 8 H ASN 23 HN ASN 23 -12.611 3.654 11.292 9 HA ASN 23 HA ASN 23 -10.620 5.610 12.055 10 HB2 ASN 23 HB2 ASN 23 -12.108 4.167 14.048 11 HB3 ASN 23 HB1 ASN 23 -10.423 3.663 14.098 12 HD21 ASN 23 HD21 ASN 23 -12.305 6.653 13.747 13 HD22 ASN 23 HD22 ASN 23 -11.336 7.589 14.828 14 H VAL 24 HN VAL 24 -9.594 4.816 10.170 15 HA VAL 24 HA VAL 24 -8.001 2.440 10.666 16 HB VAL 24 HB VAL 24 -8.472 1.405 8.512 17 HG11 VAL 24 HG11 VAL 24 -10.596 0.456 9.027 18 HG12 VAL 24 HG12 VAL 24 -11.072 1.878 9.956 19 HG13 VAL 24 HG13 VAL 24 -9.796 0.819 10.557 20 HG21 VAL 24 HG21 VAL 24 -10.578 3.542 8.192 21 HG22 VAL 24 HG22 VAL 24 -10.332 2.166 7.116 22 HG23 VAL 24 HG23 VAL 24 -9.086 3.407 7.261 23 H ARG 25 HN ARG 25 -6.091 2.357 9.504 24 HA ARG 25 HA ARG 25 -5.507 4.457 7.584 25 HB2 ARG 25 HB2 ARG 25 -3.374 4.986 8.908 26 HB3 ARG 25 HB1 ARG 25 -4.883 5.673 9.487 27 HG2 ARG 25 HG2 ARG 25 -4.645 3.207 10.778 28 HG3 ARG 25 HG1 ARG 25 -3.033 3.922 10.819 29 HD2 ARG 25 HD2 ARG 25 -4.442 4.521 12.774 30 HD3 ARG 25 HD1 ARG 25 -3.878 5.914 11.853 31 HE ARG 25 HE ARG 25 -6.339 5.328 10.809 32 HH11 ARG 25 HH11 ARG 25 -5.112 6.091 13.985 33 HH12 ARG 25 HH12 ARG 25 -6.583 6.839 14.511 34 HH21 ARG 25 HH21 ARG 25 -8.274 6.313 11.498 35 HH22 ARG 25 HH22 ARG 25 -8.378 6.965 13.099 36 H LEU 26 HN LEU 26 -4.294 3.659 5.989 37 HA LEU 26 HA LEU 26 -3.292 0.981 6.149 38 HB2 LEU 26 HB2 LEU 26 -4.127 2.611 4.104 39 HB3 LEU 26 HB1 LEU 26 -2.394 2.603 3.880 40 HG LEU 26 HG LEU 26 -3.098 0.865 2.523 41 HD11 LEU 26 HD11 LEU 26 -1.307 0.107 3.985 42 HD12 LEU 26 HD12 LEU 26 -2.399 -1.218 3.587 43 HD13 LEU 26 HD13 LEU 26 -2.491 -0.446 5.168 44 HD21 LEU 26 HD21 LEU 26 -5.426 0.989 3.673 45 HD22 LEU 26 HD22 LEU 26 -4.827 -0.387 4.598 46 HD23 LEU 26 HD23 LEU 26 -4.925 -0.481 2.839 47 H GLN 27 HN GLN 27 -1.432 0.458 7.084 48 HA GLN 27 HA GLN 27 0.630 2.429 7.515 49 HB2 GLN 27 HB2 GLN 27 -0.055 -0.190 8.564 50 HB3 GLN 27 HB1 GLN 27 1.664 -0.071 8.214 51 HG2 GLN 27 HG2 GLN 27 1.772 1.974 9.580 52 HG3 GLN 27 HG1 GLN 27 0.067 1.772 9.977 53 HE21 GLN 27 HE21 GLN 27 -0.401 0.672 11.744 54 HE22 GLN 27 HE22 GLN 27 0.667 -0.389 12.591 55 H VAL 28 HN VAL 28 1.991 2.956 5.941 56 HA VAL 28 HA VAL 28 2.554 1.121 3.774 57 HB VAL 28 HB VAL 28 4.141 3.072 3.083 58 HG11 VAL 28 HG11 VAL 28 2.519 3.235 1.586 59 HG12 VAL 28 HG12 VAL 28 1.642 4.295 2.689 60 HG13 VAL 28 HG13 VAL 28 1.352 2.555 2.720 61 HG21 VAL 28 HG21 VAL 28 3.678 4.076 5.483 62 HG22 VAL 28 HG22 VAL 28 2.294 4.788 4.655 63 HG23 VAL 28 HG23 VAL 28 3.929 5.114 4.080 64 H GLU 29 HN GLU 29 4.411 0.049 3.379 65 HA GLU 29 HA GLU 29 6.779 0.582 4.981 66 HB2 GLU 29 HB2 GLU 29 5.095 -1.863 5.230 67 HB3 GLU 29 HB1 GLU 29 6.841 -2.058 5.297 68 HG2 GLU 29 HG2 GLU 29 6.994 -1.145 7.335 69 HG3 GLU 29 HG1 GLU 29 5.786 0.090 6.987 70 H GLY 30 HN GLY 30 8.487 0.539 3.684 71 HA2 GLY 30 HA2 GLY 30 9.960 -0.524 2.168 72 HA3 GLY 30 HA1 GLY 30 8.608 -1.440 1.525 73 H LEU 31 HN LEU 31 8.960 2.048 2.015 74 HA LEU 31 HA LEU 31 9.004 2.453 -0.881 75 HB2 LEU 31 HB2 LEU 31 7.128 3.983 0.900 76 HB3 LEU 31 HB1 LEU 31 7.225 4.023 -0.846 77 HG LEU 31 HG LEU 31 6.438 1.549 0.673 78 HD11 LEU 31 HD11 LEU 31 4.825 3.218 1.240 79 HD12 LEU 31 HD12 LEU 31 4.114 2.150 0.031 80 HD13 LEU 31 HD13 LEU 31 4.707 3.743 -0.437 81 HD21 LEU 31 HD21 LEU 31 5.884 2.331 -2.179 82 HD22 LEU 31 HD22 LEU 31 5.659 0.754 -1.422 83 HD23 LEU 31 HD23 LEU 31 7.286 1.381 -1.689 84 H SER 32 HN SER 32 9.917 4.420 -1.536 85 HA SER 32 HA SER 32 10.915 6.228 0.519 86 HB2 SER 32 HB2 SER 32 12.903 5.274 -1.505 87 HB3 SER 32 HB1 SER 32 13.178 5.953 0.099 88 HG SER 32 HG SER 32 12.687 4.030 1.011 89 H GLY 33 HN GLY 33 10.938 8.296 -0.131 90 HA2 GLY 33 HA2 GLY 33 10.754 10.138 -1.488 91 HA3 GLY 33 HA1 GLY 33 11.416 9.152 -2.783 92 H GLN 34 HN GLN 34 10.093 9.744 -4.421 93 HA GLN 34 HA GLN 34 7.411 10.324 -4.382 94 HB2 GLN 34 HB2 GLN 34 9.270 10.213 -6.320 95 HB3 GLN 34 HB1 GLN 34 8.359 8.762 -6.716 96 HG2 GLN 34 HG2 GLN 34 6.696 9.935 -7.594 97 HG3 GLN 34 HG1 GLN 34 6.614 11.006 -6.196 98 HE21 GLN 34 HE21 GLN 34 8.496 10.378 -9.124 99 HE22 GLN 34 HE22 GLN 34 8.891 12.030 -9.438 100 H LEU 35 HN LEU 35 8.927 7.209 -4.164 101 HA LEU 35 HA LEU 35 6.749 5.601 -4.925 102 HB2 LEU 35 HB2 LEU 35 9.156 5.123 -3.226 103 HB3 LEU 35 HB1 LEU 35 7.935 3.888 -3.424 104 HG LEU 35 HG LEU 35 10.037 3.924 -4.966 105 HD11 LEU 35 HD11 LEU 35 8.700 2.949 -6.796 106 HD12 LEU 35 HD12 LEU 35 7.246 3.523 -5.984 107 HD13 LEU 35 HD13 LEU 35 8.272 2.321 -5.203 108 HD21 LEU 35 HD21 LEU 35 8.227 5.847 -6.407 109 HD22 LEU 35 HD22 LEU 35 9.710 5.127 -7.046 110 HD23 LEU 35 HD23 LEU 35 9.788 6.249 -5.685 111 H GLU 36 HN GLU 36 7.914 6.534 -1.698 112 HA GLU 36 HA GLU 36 5.785 5.386 -0.268 113 HB2 GLU 36 HB2 GLU 36 7.193 5.924 1.377 114 HB3 GLU 36 HB1 GLU 36 8.105 6.967 0.300 115 HG2 GLU 36 HG2 GLU 36 7.466 8.287 2.136 116 HG3 GLU 36 HG1 GLU 36 6.426 8.767 0.797 117 H LYS 37 HN LYS 37 6.221 8.537 -1.744 118 HA LYS 37 HA LYS 37 3.916 9.772 -0.663 119 HB2 LYS 37 HB2 LYS 37 5.008 10.471 -3.371 120 HB3 LYS 37 HB1 LYS 37 4.317 11.531 -2.151 121 HG2 LYS 37 HG2 LYS 37 6.472 10.604 -0.820 122 HG3 LYS 37 HG1 LYS 37 7.071 10.560 -2.479 123 HD2 LYS 37 HD2 LYS 37 5.626 13.006 -1.653 124 HD3 LYS 37 HD1 LYS 37 7.213 12.741 -0.928 125 HE2 LYS 37 HE2 LYS 37 6.767 12.534 -3.890 126 HE3 LYS 37 HE1 LYS 37 7.104 14.078 -3.109 127 HZ1 LYS 37 HZ1 LYS 37 8.851 11.686 -2.907 128 HZ2 LYS 37 HZ2 LYS 37 9.188 13.239 -2.326 129 HZ3 LYS 37 HZ3 LYS 37 9.100 12.961 -3.992 130 H ASN 38 HN ASN 38 4.509 8.113 -3.755 131 HA ASN 38 HA ASN 38 1.997 8.440 -4.897 132 HB2 ASN 38 HB2 ASN 38 4.294 7.179 -5.643 133 HB3 ASN 38 HB1 ASN 38 3.242 5.801 -5.335 134 HD21 ASN 38 HD21 ASN 38 2.720 9.032 -6.706 135 HD22 ASN 38 HD22 ASN 38 1.997 8.477 -8.175 136 H VAL 39 HN VAL 39 3.166 5.683 -2.957 137 HA VAL 39 HA VAL 39 0.775 4.260 -2.865 138 HB VAL 39 HB VAL 39 2.872 4.406 -0.693 139 HG11 VAL 39 HG11 VAL 39 1.020 3.329 0.250 140 HG12 VAL 39 HG12 VAL 39 2.042 2.011 -0.321 141 HG13 VAL 39 HG13 VAL 39 0.626 2.496 -1.253 142 HG21 VAL 39 HG21 VAL 39 3.382 2.108 -1.999 143 HG22 VAL 39 HG22 VAL 39 4.177 3.637 -2.371 144 HG23 VAL 39 HG23 VAL 39 2.803 3.100 -3.337 145 H ARG 40 HN ARG 40 1.891 6.992 -0.957 146 HA ARG 40 HA ARG 40 -0.007 6.927 1.097 147 HB2 ARG 40 HB2 ARG 40 2.061 8.487 0.718 148 HB3 ARG 40 HB1 ARG 40 0.904 9.524 -0.104 149 HG2 ARG 40 HG2 ARG 40 0.382 10.389 1.864 150 HG3 ARG 40 HG1 ARG 40 -0.316 8.831 2.310 151 HD2 ARG 40 HD2 ARG 40 2.607 9.004 2.561 152 HD3 ARG 40 HD1 ARG 40 1.704 10.059 3.647 153 HE ARG 40 HE ARG 40 0.690 7.390 3.639 154 HH11 ARG 40 HH11 ARG 40 3.194 9.440 4.945 155 HH12 ARG 40 HH12 ARG 40 3.424 8.470 6.361 156 HH21 ARG 40 HH21 ARG 40 0.991 6.112 5.501 157 HH22 ARG 40 HH22 ARG 40 2.174 6.581 6.676 158 H ALA 41 HN ALA 41 -0.117 8.497 -2.092 159 HA ALA 41 HA ALA 41 -2.668 9.638 -1.854 160 HB1 ALA 41 HB1 ALA 41 -0.840 8.968 -4.069 161 HB2 ALA 41 HB2 ALA 41 -1.722 10.459 -3.737 162 HB3 ALA 41 HB3 ALA 41 -2.545 9.099 -4.500 163 H GLN 42 HN GLN 42 -1.587 6.450 -2.895 164 HA GLN 42 HA GLN 42 -4.143 5.465 -3.633 165 HB2 GLN 42 HB2 GLN 42 -1.520 4.164 -2.940 166 HB3 GLN 42 HB1 GLN 42 -2.960 3.195 -3.223 167 HG2 GLN 42 HG2 GLN 42 -2.176 3.183 -5.330 168 HG3 GLN 42 HG1 GLN 42 -3.031 4.721 -5.417 169 HE21 GLN 42 HE21 GLN 42 0.117 3.262 -4.815 170 HE22 GLN 42 HE22 GLN 42 1.050 4.614 -5.352 171 H LEU 43 HN LEU 43 -2.296 5.542 -0.646 172 HA LEU 43 HA LEU 43 -3.815 3.800 0.920 173 HB2 LEU 43 HB2 LEU 43 -2.258 6.271 1.639 174 HB3 LEU 43 HB1 LEU 43 -3.019 5.252 2.840 175 HG LEU 43 HG LEU 43 -0.562 4.801 1.257 176 HD11 LEU 43 HD11 LEU 43 -0.283 3.379 3.476 177 HD12 LEU 43 HD12 LEU 43 -1.575 4.452 4.012 178 HD13 LEU 43 HD13 LEU 43 -0.048 5.127 3.441 179 HD21 LEU 43 HD21 LEU 43 -1.740 2.975 0.335 180 HD22 LEU 43 HD22 LEU 43 -2.534 2.611 1.868 181 HD23 LEU 43 HD23 LEU 43 -0.807 2.308 1.675 182 H SER 44 HN SER 44 -4.309 7.171 0.072 183 HA SER 44 HA SER 44 -6.551 7.502 1.844 184 HB2 SER 44 HB2 SER 44 -5.132 9.190 -0.158 185 HB3 SER 44 HB1 SER 44 -6.797 9.617 0.235 186 HG SER 44 HG SER 44 -4.777 9.199 2.179 187 H THR 45 HN THR 45 -6.065 6.643 -1.520 188 HA THR 45 HA THR 45 -8.865 6.928 -2.164 189 HB THR 45 HB THR 45 -6.797 7.227 -3.731 190 HG1 THR 45 HG1 THR 45 -8.174 7.046 -5.386 191 HG21 THR 45 HG21 THR 45 -7.396 4.355 -4.352 192 HG22 THR 45 HG22 THR 45 -6.009 4.854 -3.387 193 HG23 THR 45 HG23 THR 45 -6.161 5.398 -5.056 194 H ILE 46 HN ILE 46 -7.085 4.559 -0.582 195 HA ILE 46 HA ILE 46 -8.059 2.157 -1.579 196 HB ILE 46 HB ILE 46 -7.616 2.754 1.347 197 HG12 ILE 46 HG12 ILE 46 -5.683 2.046 -0.861 198 HG13 ILE 46 HG11 ILE 46 -5.637 3.438 0.215 199 HG21 ILE 46 HG21 ILE 46 -8.691 0.648 1.090 200 HG22 ILE 46 HG22 ILE 46 -6.987 0.316 1.376 201 HG23 ILE 46 HG23 ILE 46 -7.644 0.205 -0.256 202 HD11 ILE 46 HD11 ILE 46 -5.274 0.601 1.123 203 HD12 ILE 46 HD12 ILE 46 -5.022 2.070 2.065 204 HD13 ILE 46 HD13 ILE 46 -3.952 1.694 0.715 205 H GLU 47 HN GLU 47 -9.707 0.724 -0.638 206 HA GLU 47 HA GLU 47 -12.241 2.008 -0.534 207 HB2 GLU 47 HB2 GLU 47 -11.631 -0.863 0.161 208 HB3 GLU 47 HB1 GLU 47 -13.169 -0.198 -0.370 209 HG2 GLU 47 HG2 GLU 47 -10.965 0.257 -2.235 210 HG3 GLU 47 HG1 GLU 47 -11.351 -1.443 -1.967 211 H SER 48 HN SER 48 -9.968 1.853 1.817 212 HA SER 48 HA SER 48 -11.357 0.985 4.092 213 HB2 SER 48 HB2 SER 48 -9.624 2.736 5.165 214 HB3 SER 48 HB1 SER 48 -9.140 1.143 4.585 215 HG SER 48 HG SER 48 -8.727 3.661 3.443 216 H ASP 49 HN ASP 49 -12.498 3.298 2.215 217 HA ASP 49 HA ASP 49 -12.970 5.437 4.047 218 HB2 ASP 49 HB2 ASP 49 -13.874 4.736 1.292 219 HB3 ASP 49 HB1 ASP 49 -14.816 5.914 2.200 220 H GLU 50 HN GLU 50 -13.736 2.853 5.084 221 HA GLU 50 HA GLU 50 -15.348 2.215 6.581 222 HB2 GLU 50 HB2 GLU 50 -16.300 4.706 6.000 223 HB3 GLU 50 HB1 GLU 50 -17.604 3.691 5.398 224 HG2 GLU 50 HG2 GLU 50 -16.622 2.921 8.036 225 HG3 GLU 50 HG1 GLU 50 -17.313 4.542 7.968 226 H VAL 51 HN VAL 51 -14.821 0.387 5.104 227 HA VAL 51 HA VAL 51 -17.288 -0.546 3.822 228 HB VAL 51 HB VAL 51 -16.136 -1.488 1.960 229 HG11 VAL 51 HG11 VAL 51 -16.702 0.839 1.689 230 HG12 VAL 51 HG12 VAL 51 -15.162 0.518 0.891 231 HG13 VAL 51 HG13 VAL 51 -15.191 1.331 2.456 232 HG21 VAL 51 HG21 VAL 51 -13.653 -0.748 3.469 233 HG22 VAL 51 HG22 VAL 51 -13.621 -0.990 1.723 234 HG23 VAL 51 HG23 VAL 51 -14.115 -2.307 2.787 235 H THR 52 HN THR 52 -16.435 -3.065 3.072 236 HA THR 52 HA THR 52 -15.902 -4.292 5.691 237 HB THR 52 HB THR 52 -18.050 -4.902 4.707 238 HG1 THR 52 HG1 THR 52 -16.220 -7.058 4.513 239 HG21 THR 52 HG21 THR 52 -18.399 -5.410 2.582 240 HG22 THR 52 HG22 THR 52 -17.076 -6.577 2.569 241 HG23 THR 52 HG23 THR 52 -16.749 -4.870 2.268 242 HA PRO 53 HA PRO 53 -11.904 -5.115 3.667 243 HB2 PRO 53 HB2 PRO 53 -11.275 -6.152 6.363 244 HB3 PRO 53 HB1 PRO 53 -10.423 -4.946 5.394 245 HG2 PRO 53 HG2 PRO 53 -11.850 -4.242 7.543 246 HG3 PRO 53 HG1 PRO 53 -11.792 -3.219 6.095 247 HD2 PRO 53 HD2 PRO 53 -13.949 -5.080 7.018 248 HD3 PRO 53 HD1 PRO 53 -14.088 -3.469 6.283 249 H ASP 54 HN ASP 54 -11.858 -6.857 2.416 250 HA ASP 54 HA ASP 54 -11.856 -9.492 3.634 251 HB2 ASP 54 HB2 ASP 54 -14.216 -8.632 2.617 252 HB3 ASP 54 HB1 ASP 54 -13.493 -9.339 1.175 253 H ARG 55 HN ARG 55 -11.612 -11.144 1.616 254 HA ARG 55 HA ARG 55 -9.057 -10.896 0.669 255 HB2 ARG 55 HB2 ARG 55 -11.430 -12.461 -0.195 256 HB3 ARG 55 HB1 ARG 55 -10.074 -12.384 -1.311 257 HG2 ARG 55 HG2 ARG 55 -9.399 -13.021 1.484 258 HG3 ARG 55 HG1 ARG 55 -10.329 -14.241 0.611 259 HD2 ARG 55 HD2 ARG 55 -8.083 -13.093 -0.892 260 HD3 ARG 55 HD1 ARG 55 -7.620 -14.008 0.542 261 HE ARG 55 HE ARG 55 -8.725 -15.048 -1.898 262 HH11 ARG 55 HH11 ARG 55 -8.300 -15.615 1.519 263 HH12 ARG 55 HH12 ARG 55 -8.459 -17.333 1.380 264 HH21 ARG 55 HH21 ARG 55 -8.934 -17.308 -2.082 265 HH22 ARG 55 HH22 ARG 55 -8.818 -18.295 -0.664 266 H ARG 56 HN ARG 56 -11.952 -9.459 -0.616 267 HA ARG 56 HA ARG 56 -10.790 -8.722 -3.134 268 HB2 ARG 56 HB2 ARG 56 -12.840 -7.349 -3.407 269 HB3 ARG 56 HB1 ARG 56 -13.183 -9.027 -3.015 270 HG2 ARG 56 HG2 ARG 56 -14.616 -8.096 -1.556 271 HG3 ARG 56 HG1 ARG 56 -13.176 -7.975 -0.544 272 HD2 ARG 56 HD2 ARG 56 -13.146 -5.739 -0.663 273 HD3 ARG 56 HD1 ARG 56 -13.490 -5.738 -2.392 274 HE ARG 56 HE ARG 56 -15.338 -5.255 -0.320 275 HH11 ARG 56 HH11 ARG 56 -15.074 -6.918 -3.376 276 HH12 ARG 56 HH12 ARG 56 -16.763 -6.789 -3.735 277 HH21 ARG 56 HH21 ARG 56 -17.560 -5.084 -0.789 278 HH22 ARG 56 HH22 ARG 56 -18.174 -5.747 -2.267 279 H PHE 57 HN PHE 57 -11.524 -7.034 -0.103 280 HA PHE 57 HA PHE 57 -10.679 -4.474 -0.872 281 HB2 PHE 57 HB2 PHE 57 -11.935 -5.023 1.224 282 HB3 PHE 57 HB1 PHE 57 -10.461 -5.729 1.872 283 HD1 PHE 57 HD1 PHE 57 -8.357 -4.070 1.737 284 HD2 PHE 57 HD2 PHE 57 -12.445 -2.893 1.860 285 HE1 PHE 57 HE1 PHE 57 -7.691 -1.872 2.612 286 HE2 PHE 57 HE2 PHE 57 -11.789 -0.691 2.739 287 HZ PHE 57 HZ PHE 57 -9.406 -0.178 3.111 288 H ARG 58 HN ARG 58 -8.969 -7.152 0.660 289 HA ARG 58 HA ARG 58 -6.470 -5.977 0.968 290 HB2 ARG 58 HB2 ARG 58 -7.615 -8.460 1.405 291 HB3 ARG 58 HB1 ARG 58 -6.362 -8.794 0.222 292 HG2 ARG 58 HG2 ARG 58 -4.880 -7.379 1.835 293 HG3 ARG 58 HG1 ARG 58 -6.126 -7.782 3.014 294 HD2 ARG 58 HD2 ARG 58 -4.366 -9.415 3.150 295 HD3 ARG 58 HD1 ARG 58 -5.806 -10.173 2.474 296 HE ARG 58 HE ARG 58 -4.115 -9.224 0.410 297 HH11 ARG 58 HH11 ARG 58 -4.401 -11.785 2.764 298 HH12 ARG 58 HH12 ARG 58 -3.487 -12.918 1.826 299 HH21 ARG 58 HH21 ARG 58 -2.913 -10.714 -0.825 300 HH22 ARG 58 HH22 ARG 58 -2.642 -12.310 -0.211 301 H ALA 59 HN ALA 59 -7.905 -7.613 -1.814 302 HA ALA 59 HA ALA 59 -5.537 -7.586 -3.399 303 HB1 ALA 59 HB1 ALA 59 -6.921 -9.165 -4.244 304 HB2 ALA 59 HB2 ALA 59 -7.462 -7.821 -5.249 305 HB3 ALA 59 HB3 ALA 59 -8.380 -8.275 -3.813 306 H ARG 60 HN ARG 60 -8.369 -5.480 -3.157 307 HA ARG 60 HA ARG 60 -7.859 -3.792 -5.308 308 HB2 ARG 60 HB2 ARG 60 -9.458 -3.689 -2.856 309 HB3 ARG 60 HB1 ARG 60 -8.922 -2.106 -3.399 310 HG2 ARG 60 HG2 ARG 60 -10.918 -2.296 -4.498 311 HG3 ARG 60 HG1 ARG 60 -9.806 -2.925 -5.715 312 HD2 ARG 60 HD2 ARG 60 -10.315 -5.217 -4.560 313 HD3 ARG 60 HD1 ARG 60 -11.759 -4.381 -3.990 314 HE ARG 60 HE ARG 60 -11.768 -3.874 -6.644 315 HH11 ARG 60 HH11 ARG 60 -11.494 -6.815 -4.786 316 HH12 ARG 60 HH12 ARG 60 -12.250 -7.798 -5.995 317 HH21 ARG 60 HH21 ARG 60 -12.764 -5.164 -8.235 318 HH22 ARG 60 HH22 ARG 60 -12.971 -6.861 -7.953 319 H VAL 61 HN VAL 61 -6.771 -3.554 -1.941 320 HA VAL 61 HA VAL 61 -5.295 -1.171 -2.257 321 HB VAL 61 HB VAL 61 -4.603 -3.350 -0.295 322 HG11 VAL 61 HG11 VAL 61 -3.017 -1.731 -0.007 323 HG12 VAL 61 HG12 VAL 61 -4.267 -1.130 1.082 324 HG13 VAL 61 HG13 VAL 61 -4.089 -0.431 -0.528 325 HG21 VAL 61 HG21 VAL 61 -7.060 -1.802 -0.507 326 HG22 VAL 61 HG22 VAL 61 -6.265 -1.631 1.058 327 HG23 VAL 61 HG23 VAL 61 -6.700 -3.232 0.459 328 H ASP 62 HN ASP 62 -4.337 -4.592 -2.349 329 HA ASP 62 HA ASP 62 -1.619 -4.298 -2.753 330 HB2 ASP 62 HB2 ASP 62 -3.446 -6.408 -2.794 331 HB3 ASP 62 HB1 ASP 62 -2.718 -6.435 -4.396 332 H ASP 63 HN ASP 63 -4.213 -4.418 -5.159 333 HA ASP 63 HA ASP 63 -2.607 -4.143 -7.444 334 HB2 ASP 63 HB2 ASP 63 -5.084 -4.779 -7.287 335 HB3 ASP 63 HB1 ASP 63 -5.412 -3.056 -7.176 336 H ALA 64 HN ALA 64 -4.278 -1.743 -5.446 337 HA ALA 64 HA ALA 64 -3.739 0.553 -6.881 338 HB1 ALA 64 HB1 ALA 64 -4.247 -0.040 -4.024 339 HB2 ALA 64 HB2 ALA 64 -5.096 1.042 -5.128 340 HB3 ALA 64 HB3 ALA 64 -3.567 1.542 -4.404 341 H ILE 65 HN ILE 65 -1.767 -0.638 -4.124 342 HA ILE 65 HA ILE 65 0.339 1.113 -4.317 343 HB ILE 65 HB ILE 65 0.463 -1.834 -3.664 344 HG12 ILE 65 HG12 ILE 65 0.829 -0.268 -1.371 345 HG13 ILE 65 HG11 ILE 65 -0.480 0.512 -2.246 346 HG21 ILE 65 HG21 ILE 65 2.676 -1.028 -4.270 347 HG22 ILE 65 HG22 ILE 65 2.587 -1.315 -2.532 348 HG23 ILE 65 HG23 ILE 65 2.506 0.331 -3.158 349 HD11 ILE 65 HD11 ILE 65 -1.881 -1.000 -1.462 350 HD12 ILE 65 HD12 ILE 65 -0.556 -1.805 -0.621 351 HD13 ILE 65 HD13 ILE 65 -0.967 -2.273 -2.271 352 H ARG 66 HN ARG 66 0.214 -2.104 -5.831 353 HA ARG 66 HA ARG 66 2.523 -1.924 -7.348 354 HB2 ARG 66 HB2 ARG 66 1.080 -3.960 -6.997 355 HB3 ARG 66 HB1 ARG 66 -0.033 -3.306 -8.185 356 HG2 ARG 66 HG2 ARG 66 1.577 -3.492 -9.923 357 HG3 ARG 66 HG1 ARG 66 2.860 -3.870 -8.771 358 HD2 ARG 66 HD2 ARG 66 2.128 -6.020 -8.453 359 HD3 ARG 66 HD1 ARG 66 0.457 -5.625 -8.854 360 HE ARG 66 HE ARG 66 2.529 -6.446 -10.668 361 HH11 ARG 66 HH11 ARG 66 -0.496 -4.731 -10.370 362 HH12 ARG 66 HH12 ARG 66 -0.927 -4.949 -12.033 363 HH21 ARG 66 HH21 ARG 66 1.963 -6.734 -12.855 364 HH22 ARG 66 HH22 ARG 66 0.469 -6.087 -13.444 365 H GLU 67 HN GLU 67 -0.644 -0.546 -7.911 366 HA GLU 67 HA GLU 67 -0.317 0.078 -10.645 367 HB2 GLU 67 HB2 GLU 67 -2.458 0.705 -10.392 368 HB3 GLU 67 HB1 GLU 67 -2.322 0.332 -8.689 369 HG2 GLU 67 HG2 GLU 67 -2.077 2.536 -8.089 370 HG3 GLU 67 HG1 GLU 67 -1.477 3.009 -9.672 371 H GLY 68 HN GLY 68 -0.112 2.183 -7.782 372 HA2 GLY 68 HA2 GLY 68 1.110 4.333 -9.169 373 HA3 GLY 68 HA1 GLY 68 1.096 4.112 -7.422 374 H LEU 69 HN LEU 69 2.377 1.666 -7.248 375 HA LEU 69 HA LEU 69 5.075 2.405 -7.280 376 HB2 LEU 69 HB2 LEU 69 3.593 -0.165 -6.843 377 HB3 LEU 69 HB1 LEU 69 5.319 -0.234 -7.041 378 HG LEU 69 HG LEU 69 3.752 1.087 -4.843 379 HD11 LEU 69 HD11 LEU 69 4.688 -1.387 -4.957 380 HD12 LEU 69 HD12 LEU 69 4.707 -0.448 -3.464 381 HD13 LEU 69 HD13 LEU 69 6.170 -0.583 -4.440 382 HD21 LEU 69 HD21 LEU 69 6.393 1.822 -5.924 383 HD22 LEU 69 HD22 LEU 69 6.302 1.649 -4.172 384 HD23 LEU 69 HD23 LEU 69 5.241 2.786 -5.005 385 H LYS 70 HN LYS 70 3.067 0.771 -9.607 386 HA LYS 70 HA LYS 70 5.194 -0.103 -11.310 387 HB2 LYS 70 HB2 LYS 70 3.089 -1.249 -11.436 388 HB3 LYS 70 HB1 LYS 70 2.232 0.250 -11.765 389 HG2 LYS 70 HG2 LYS 70 2.915 0.320 -13.954 390 HG3 LYS 70 HG1 LYS 70 4.354 -0.657 -13.650 391 HD2 LYS 70 HD2 LYS 70 1.524 -1.697 -13.533 392 HD3 LYS 70 HD1 LYS 70 2.583 -1.844 -14.937 393 HE2 LYS 70 HE2 LYS 70 4.234 -2.933 -13.259 394 HE3 LYS 70 HE1 LYS 70 2.802 -3.151 -12.253 395 HZ1 LYS 70 HZ1 LYS 70 1.766 -4.393 -14.030 396 HZ2 LYS 70 HZ2 LYS 70 3.258 -5.089 -13.642 397 HZ3 LYS 70 HZ3 LYS 70 3.103 -4.145 -15.036 398 H ALA 71 HN ALA 71 3.552 2.875 -10.808 399 HA ALA 71 HA ALA 71 4.403 3.954 -13.379 400 HB1 ALA 71 HB1 ALA 71 3.082 5.724 -11.433 401 HB2 ALA 71 HB2 ALA 71 2.138 4.346 -12.001 402 HB3 ALA 71 HB3 ALA 71 2.790 5.506 -13.159 403 H LEU 72 HN LEU 72 5.807 3.628 -10.365 404 HA LEU 72 HA LEU 72 7.350 6.116 -10.721 405 HB2 LEU 72 HB2 LEU 72 7.315 4.610 -8.139 406 HB3 LEU 72 HB1 LEU 72 7.639 6.309 -8.430 407 HG LEU 72 HG LEU 72 4.921 5.487 -9.143 408 HD11 LEU 72 HD11 LEU 72 5.376 5.715 -6.224 409 HD12 LEU 72 HD12 LEU 72 5.696 4.168 -7.000 410 HD13 LEU 72 HD13 LEU 72 4.093 4.894 -7.110 411 HD21 LEU 72 HD21 LEU 72 6.150 7.831 -8.778 412 HD22 LEU 72 HD22 LEU 72 5.507 7.592 -7.153 413 HD23 LEU 72 HD23 LEU 72 4.417 7.611 -8.540 414 H GLY 73 HN GLY 73 7.662 3.079 -11.586 415 HA2 GLY 73 HA2 GLY 73 9.854 2.402 -12.413 416 HA3 GLY 73 HA1 GLY 73 10.541 3.040 -10.935 417 H TYR 74 HN TYR 74 7.951 1.663 -9.728 418 HA TYR 74 HA TYR 74 9.351 -0.850 -9.209 419 HB2 TYR 74 HB2 TYR 74 7.185 0.693 -7.808 420 HB3 TYR 74 HB1 TYR 74 7.483 -0.984 -7.425 421 HD1 TYR 74 HD2 TYR 74 10.174 1.357 -8.327 422 HD2 TYR 74 HD1 TYR 74 8.132 -0.597 -5.150 423 HE1 TYR 74 HE2 TYR 74 11.941 2.056 -6.774 424 HE2 TYR 74 HE1 TYR 74 9.899 0.093 -3.584 425 HH TYR 74 HH TYR 74 12.010 2.459 -4.121 426 H TYR 75 HN TYR 75 8.870 -2.232 -10.850 427 HA TYR 75 HA TYR 75 6.584 -2.357 -12.361 428 HB2 TYR 75 HB2 TYR 75 8.881 -4.081 -11.879 429 HB3 TYR 75 HB1 TYR 75 7.433 -4.988 -12.301 430 HD1 TYR 75 HD1 TYR 75 6.143 -3.024 -14.166 431 HD2 TYR 75 HD2 TYR 75 10.188 -4.302 -13.811 432 HE1 TYR 75 HE1 TYR 75 6.511 -2.505 -16.540 433 HE2 TYR 75 HE2 TYR 75 10.566 -3.783 -16.184 434 HH TYR 75 HH TYR 75 8.402 -3.523 -18.377 435 H GLN 76 HN GLN 76 7.195 -5.178 -10.326 436 HA GLN 76 HA GLN 76 4.400 -5.001 -9.403 437 HB2 GLN 76 HB2 GLN 76 4.259 -7.467 -9.622 438 HB3 GLN 76 HB1 GLN 76 4.483 -6.643 -11.159 439 HG2 GLN 76 HG2 GLN 76 6.491 -7.579 -11.523 440 HG3 GLN 76 HG1 GLN 76 6.954 -7.503 -9.823 441 HE21 GLN 76 HE21 GLN 76 4.594 -9.165 -11.892 442 HE22 GLN 76 HE22 GLN 76 4.780 -10.715 -11.151 443 HA PRO 77 HA PRO 77 7.590 -5.393 -5.849 444 HB2 PRO 77 HB2 PRO 77 5.447 -3.545 -4.872 445 HB3 PRO 77 HB1 PRO 77 7.186 -3.519 -4.549 446 HG2 PRO 77 HG2 PRO 77 6.107 -1.838 -6.279 447 HG3 PRO 77 HG1 PRO 77 7.675 -2.594 -6.607 448 HD2 PRO 77 HD2 PRO 77 5.013 -3.161 -7.805 449 HD3 PRO 77 HD1 PRO 77 6.632 -3.282 -8.525 450 H THR 78 HN THR 78 7.308 -6.933 -4.314 451 HA THR 78 HA THR 78 4.808 -8.305 -4.119 452 HB THR 78 HB THR 78 7.124 -8.537 -2.190 453 HG1 THR 78 HG1 THR 78 6.810 -9.790 -4.714 454 HG21 THR 78 HG21 THR 78 5.539 -9.938 -1.340 455 HG22 THR 78 HG22 THR 78 6.355 -11.022 -2.466 456 HG23 THR 78 HG23 THR 78 4.825 -10.271 -2.917 457 H ILE 79 HN ILE 79 3.160 -7.164 -3.269 458 HA ILE 79 HA ILE 79 3.644 -5.734 -0.745 459 HB ILE 79 HB ILE 79 1.465 -5.237 -2.776 460 HG12 ILE 79 HG12 ILE 79 3.401 -3.107 -2.289 461 HG13 ILE 79 HG11 ILE 79 4.154 -4.560 -2.932 462 HG21 ILE 79 HG21 ILE 79 1.524 -4.595 -0.074 463 HG22 ILE 79 HG22 ILE 79 0.481 -3.885 -1.305 464 HG23 ILE 79 HG23 ILE 79 2.009 -3.109 -0.891 465 HD11 ILE 79 HD11 ILE 79 3.457 -2.879 -4.641 466 HD12 ILE 79 HD12 ILE 79 1.781 -3.215 -4.198 467 HD13 ILE 79 HD13 ILE 79 2.786 -4.495 -4.877 468 H GLU 80 HN GLU 80 2.964 -6.795 0.956 469 HA GLU 80 HA GLU 80 0.526 -8.435 0.754 470 HB2 GLU 80 HB2 GLU 80 2.893 -8.635 2.621 471 HB3 GLU 80 HB1 GLU 80 1.404 -9.543 2.847 472 HG2 GLU 80 HG2 GLU 80 2.557 -9.792 0.173 473 HG3 GLU 80 HG1 GLU 80 3.585 -10.406 1.467 474 H PHE 81 HN PHE 81 -0.500 -8.632 3.112 475 HA PHE 81 HA PHE 81 -0.480 -6.015 4.414 476 HB2 PHE 81 HB2 PHE 81 -3.018 -7.365 3.486 477 HB3 PHE 81 HB1 PHE 81 -2.913 -5.855 4.384 478 HD1 PHE 81 HD1 PHE 81 -1.602 -3.936 3.266 479 HD2 PHE 81 HD2 PHE 81 -3.073 -7.340 1.179 480 HE1 PHE 81 HE1 PHE 81 -1.485 -2.684 1.152 481 HE2 PHE 81 HE2 PHE 81 -2.957 -6.094 -0.937 482 HZ PHE 81 HZ PHE 81 -2.162 -3.763 -0.954 483 H ASP 82 HN ASP 82 -1.448 -5.969 6.502 484 HA ASP 82 HA ASP 82 -1.863 -8.592 7.758 485 HB2 ASP 82 HB2 ASP 82 0.471 -7.584 8.154 486 HB3 ASP 82 HB1 ASP 82 -0.352 -6.391 9.153 487 H LEU 83 HN LEU 83 -4.039 -8.331 7.913 488 HA LEU 83 HA LEU 83 -5.247 -5.914 8.835 489 HB2 LEU 83 HB2 LEU 83 -6.157 -7.836 7.293 490 HB3 LEU 83 HB1 LEU 83 -6.672 -8.537 8.812 491 HG LEU 83 HG LEU 83 -8.300 -6.950 9.160 492 HD11 LEU 83 HD11 LEU 83 -6.952 -4.967 9.137 493 HD12 LEU 83 HD12 LEU 83 -8.327 -4.719 8.064 494 HD13 LEU 83 HD13 LEU 83 -6.737 -5.075 7.391 495 HD21 LEU 83 HD21 LEU 83 -9.321 -7.882 7.387 496 HD22 LEU 83 HD22 LEU 83 -7.936 -7.631 6.323 497 HD23 LEU 83 HD23 LEU 83 -9.049 -6.302 6.651 498 H ARG 84 HN ARG 84 -6.280 -5.492 10.745 499 HA ARG 84 HA ARG 84 -5.990 -7.385 12.957 500 HB2 ARG 84 HB2 ARG 84 -4.837 -4.632 12.773 501 HB3 ARG 84 HB1 ARG 84 -5.406 -5.215 14.330 502 HG2 ARG 84 HG2 ARG 84 -3.327 -5.993 14.535 503 HG3 ARG 84 HG1 ARG 84 -3.913 -7.311 13.518 504 HD2 ARG 84 HD2 ARG 84 -3.153 -6.037 11.531 505 HD3 ARG 84 HD1 ARG 84 -2.448 -4.839 12.617 506 HE ARG 84 HE ARG 84 -1.407 -7.451 11.994 507 HH11 ARG 84 HH11 ARG 84 -1.396 -4.828 14.296 508 HH12 ARG 84 HH12 ARG 84 0.150 -5.246 14.953 509 HH21 ARG 84 HH21 ARG 84 0.626 -8.003 12.858 510 HH22 ARG 84 HH22 ARG 84 1.299 -7.048 14.138 511 HA PRO 85 HA PRO 85 -10.329 -5.682 12.344 512 HB2 PRO 85 HB2 PRO 85 -10.993 -7.879 14.104 513 HB3 PRO 85 HB1 PRO 85 -11.470 -7.621 12.427 514 HG2 PRO 85 HG2 PRO 85 -9.344 -9.307 13.511 515 HG3 PRO 85 HG1 PRO 85 -10.075 -9.322 11.899 516 HD2 PRO 85 HD2 PRO 85 -7.530 -8.481 12.387 517 HD3 PRO 85 HD1 PRO 85 -8.520 -7.863 11.049 518 HA PRO 86 HA PRO 86 -10.322 -5.017 17.015 519 HB2 PRO 86 HB2 PRO 86 -8.851 -6.591 18.628 520 HB3 PRO 86 HB1 PRO 86 -10.336 -7.163 17.862 521 HG2 PRO 86 HG2 PRO 86 -7.570 -7.942 17.327 522 HG3 PRO 86 HG1 PRO 86 -9.070 -8.728 16.811 523 HD2 PRO 86 HD2 PRO 86 -7.355 -6.847 15.347 524 HD3 PRO 86 HD1 PRO 86 -8.623 -7.920 14.725 525 HA PRO 87 HA PRO 87 -6.067 -2.921 16.665 526 HB2 PRO 87 HB2 PRO 87 -7.045 -0.395 16.319 527 HB3 PRO 87 HB1 PRO 87 -6.641 -1.478 14.984 528 HG2 PRO 87 HG2 PRO 87 -9.302 -0.892 16.211 529 HG3 PRO 87 HG1 PRO 87 -8.868 -1.055 14.501 530 HD2 PRO 87 HD2 PRO 87 -10.078 -3.041 15.859 531 HD3 PRO 87 HD1 PRO 87 -8.881 -3.369 14.594 532 H LYS 88 HN LYS 88 -5.415 -0.904 17.957 533 HA LYS 88 HA LYS 88 -6.581 -1.173 20.614 534 HB2 LYS 88 HB2 LYS 88 -4.549 0.047 21.360 535 HB3 LYS 88 HB1 LYS 88 -4.218 -1.476 20.547 536 HG2 LYS 88 HG2 LYS 88 -2.773 -0.329 19.335 537 HG3 LYS 88 HG1 LYS 88 -4.167 0.319 18.482 538 HD2 LYS 88 HD2 LYS 88 -3.861 2.368 19.323 539 HD3 LYS 88 HD1 LYS 88 -3.607 1.745 20.956 540 HE2 LYS 88 HE2 LYS 88 -1.287 1.027 20.061 541 HE3 LYS 88 HE1 LYS 88 -1.612 2.176 18.763 542 HZ1 LYS 88 HZ1 LYS 88 -1.374 3.929 20.136 543 HZ2 LYS 88 HZ2 LYS 88 -0.439 2.849 21.041 544 HZ3 LYS 88 HZ3 LYS 88 -2.048 3.140 21.472 545 H LYS 89 HN LYS 89 -6.033 1.229 18.107 546 HA LYS 89 HA LYS 89 -7.645 3.118 19.684 547 HB2 LYS 89 HB2 LYS 89 -5.237 3.729 19.726 548 HB3 LYS 89 HB1 LYS 89 -5.284 3.871 17.974 549 HG2 LYS 89 HG2 LYS 89 -6.231 5.894 18.044 550 HG3 LYS 89 HG1 LYS 89 -7.343 5.433 19.335 551 HD2 LYS 89 HD2 LYS 89 -4.527 5.655 20.146 552 HD3 LYS 89 HD1 LYS 89 -5.271 7.168 19.626 553 HE2 LYS 89 HE2 LYS 89 -6.724 5.393 21.536 554 HE3 LYS 89 HE1 LYS 89 -5.409 6.407 22.127 555 HZ1 LYS 89 HZ1 LYS 89 -7.375 7.726 20.442 556 HZ2 LYS 89 HZ2 LYS 89 -6.607 8.276 21.845 557 HZ3 LYS 89 HZ3 LYS 89 -7.928 7.226 21.962 558 H GLY 90 HN GLY 90 -8.502 1.324 17.561 559 HA2 GLY 90 HA2 GLY 90 -9.868 3.315 15.999 560 HA3 GLY 90 HA1 GLY 90 -8.712 2.382 15.072 561 H ARG 91 HN ARG 91 -10.463 1.622 13.782 562 HA ARG 91 HA ARG 91 -12.322 -0.216 15.104 563 HB2 ARG 91 HB2 ARG 91 -12.280 0.950 12.317 564 HB3 ARG 91 HB1 ARG 91 -13.437 -0.264 12.845 565 HG2 ARG 91 HG2 ARG 91 -13.129 2.538 13.892 566 HG3 ARG 91 HG1 ARG 91 -14.480 1.875 12.972 567 HD2 ARG 91 HD2 ARG 91 -13.665 1.261 15.799 568 HD3 ARG 91 HD1 ARG 91 -15.188 1.939 15.225 569 HE ARG 91 HE ARG 91 -15.043 -0.508 14.029 570 HH11 ARG 91 HH11 ARG 91 -14.898 0.620 17.329 571 HH12 ARG 91 HH12 ARG 91 -15.583 -0.828 17.986 572 HH21 ARG 91 HH21 ARG 91 -15.945 -2.413 14.892 573 HH22 ARG 91 HH22 ARG 91 -16.177 -2.551 16.603 574 H GLN 92 HN GLN 92 -10.153 -0.100 12.291 575 HA GLN 92 HA GLN 92 -9.363 -2.857 12.779 576 HB2 GLN 92 HB2 GLN 92 -10.676 -1.925 10.224 577 HB3 GLN 92 HB1 GLN 92 -9.685 -3.375 10.309 578 HG2 GLN 92 HG2 GLN 92 -11.317 -3.970 12.283 579 HG3 GLN 92 HG1 GLN 92 -12.380 -2.846 11.438 580 HE21 GLN 92 HE21 GLN 92 -10.067 -5.331 10.399 581 HE22 GLN 92 HE22 GLN 92 -11.173 -6.177 9.377 582 H VAL 93 HN VAL 93 -7.241 -3.060 12.528 583 HA VAL 93 HA VAL 93 -5.787 -0.886 11.222 584 HB VAL 93 HB VAL 93 -5.192 -2.799 13.393 585 HG11 VAL 93 HG11 VAL 93 -3.015 -1.914 11.509 586 HG12 VAL 93 HG12 VAL 93 -3.565 -3.568 11.771 587 HG13 VAL 93 HG13 VAL 93 -2.768 -2.688 13.074 588 HG21 VAL 93 HG21 VAL 93 -4.117 -0.051 12.790 589 HG22 VAL 93 HG22 VAL 93 -4.024 -0.917 14.323 590 HG23 VAL 93 HG23 VAL 93 -5.587 -0.376 13.709 591 H LEU 94 HN LEU 94 -4.790 -1.144 9.307 592 HA LEU 94 HA LEU 94 -4.259 -3.875 8.370 593 HB2 LEU 94 HB2 LEU 94 -6.346 -2.993 7.343 594 HB3 LEU 94 HB1 LEU 94 -5.417 -1.677 6.658 595 HG LEU 94 HG LEU 94 -6.017 -3.794 5.228 596 HD11 LEU 94 HD11 LEU 94 -3.550 -3.479 4.232 597 HD12 LEU 94 HD12 LEU 94 -3.641 -2.053 5.266 598 HD13 LEU 94 HD13 LEU 94 -4.849 -2.307 4.006 599 HD21 LEU 94 HD21 LEU 94 -4.804 -5.217 7.051 600 HD22 LEU 94 HD22 LEU 94 -3.351 -4.736 6.176 601 HD23 LEU 94 HD23 LEU 94 -4.629 -5.622 5.345 602 H ILE 95 HN ILE 95 -2.176 -4.091 8.025 603 HA ILE 95 HA ILE 95 -0.548 -1.736 7.431 604 HB ILE 95 HB ILE 95 0.374 -4.532 8.099 605 HG12 ILE 95 HG12 ILE 95 0.786 -2.476 10.126 606 HG13 ILE 95 HG11 ILE 95 -0.921 -2.745 9.789 607 HG21 ILE 95 HG21 ILE 95 1.749 -1.954 7.573 608 HG22 ILE 95 HG22 ILE 95 2.228 -3.599 7.156 609 HG23 ILE 95 HG23 ILE 95 2.421 -3.017 8.810 610 HD11 ILE 95 HD11 ILE 95 -0.868 -4.907 10.551 611 HD12 ILE 95 HD12 ILE 95 0.287 -4.120 11.628 612 HD13 ILE 95 HD13 ILE 95 0.864 -5.080 10.265 613 H ALA 96 HN ALA 96 1.006 -1.739 5.738 614 HA ALA 96 HA ALA 96 0.555 -3.722 3.615 615 HB1 ALA 96 HB1 ALA 96 0.820 -1.749 1.994 616 HB2 ALA 96 HB2 ALA 96 0.430 -0.735 3.383 617 HB3 ALA 96 HB3 ALA 96 -0.726 -1.941 2.820 618 H LYS 97 HN LYS 97 2.446 -4.751 3.481 619 HA LYS 97 HA LYS 97 4.923 -3.162 3.578 620 HB2 LYS 97 HB2 LYS 97 4.720 -6.154 3.895 621 HB3 LYS 97 HB1 LYS 97 6.077 -5.114 4.306 622 HG2 LYS 97 HG2 LYS 97 5.298 -5.216 6.389 623 HG3 LYS 97 HG1 LYS 97 4.066 -4.077 5.842 624 HD2 LYS 97 HD2 LYS 97 2.666 -5.661 6.652 625 HD3 LYS 97 HD1 LYS 97 2.926 -6.377 5.060 626 HE2 LYS 97 HE2 LYS 97 3.232 -8.122 6.626 627 HE3 LYS 97 HE1 LYS 97 4.844 -7.657 6.083 628 HZ1 LYS 97 HZ1 LYS 97 5.181 -7.700 8.314 629 HZ2 LYS 97 HZ2 LYS 97 3.584 -7.292 8.696 630 HZ3 LYS 97 HZ3 LYS 97 4.661 -6.095 8.176 631 H VAL 98 HN VAL 98 5.941 -2.835 1.717 632 HA VAL 98 HA VAL 98 5.411 -4.688 -0.510 633 HB VAL 98 HB VAL 98 4.622 -2.406 -0.921 634 HG11 VAL 98 HG11 VAL 98 6.828 -0.857 -1.366 635 HG12 VAL 98 HG12 VAL 98 7.275 -1.733 0.097 636 HG13 VAL 98 HG13 VAL 98 5.795 -0.776 0.061 637 HG21 VAL 98 HG21 VAL 98 6.062 -3.975 -2.620 638 HG22 VAL 98 HG22 VAL 98 6.914 -2.436 -2.742 639 HG23 VAL 98 HG23 VAL 98 5.187 -2.519 -3.086 640 H THR 99 HN THR 99 7.112 -5.396 -1.804 641 HA THR 99 HA THR 99 9.823 -4.581 -1.222 642 HB THR 99 HB THR 99 8.950 -7.433 -0.722 643 HG1 THR 99 HG1 THR 99 8.899 -6.924 1.309 644 HG21 THR 99 HG21 THR 99 11.348 -7.440 0.307 645 HG22 THR 99 HG22 THR 99 11.628 -6.151 -0.864 646 HG23 THR 99 HG23 THR 99 11.104 -7.743 -1.414 647 HA PRO 100 HA PRO 100 9.387 -5.927 -5.548 648 HB2 PRO 100 HB2 PRO 100 10.524 -3.610 -6.563 649 HB3 PRO 100 HB1 PRO 100 8.805 -3.906 -6.343 650 HG2 PRO 100 HG2 PRO 100 10.453 -2.039 -4.947 651 HG3 PRO 100 HG1 PRO 100 8.733 -2.363 -4.698 652 HD2 PRO 100 HD2 PRO 100 11.068 -3.323 -3.169 653 HD3 PRO 100 HD1 PRO 100 9.372 -3.162 -2.665 654 H GLY 101 HN GLY 101 12.123 -3.686 -5.396 655 HA2 GLY 101 HA2 GLY 101 14.387 -4.581 -4.919 656 HA3 GLY 101 HA1 GLY 101 13.911 -5.990 -5.852 657 H VAL 102 HN VAL 102 12.498 -4.109 -7.792 658 HA VAL 102 HA VAL 102 14.942 -3.280 -9.219 659 HB VAL 102 HB VAL 102 13.673 -5.181 -10.244 660 HG11 VAL 102 HG11 VAL 102 11.563 -4.806 -11.300 661 HG12 VAL 102 HG12 VAL 102 11.603 -3.088 -10.895 662 HG13 VAL 102 HG13 VAL 102 11.421 -4.294 -9.617 663 HG21 VAL 102 HG21 VAL 102 13.454 -2.979 -12.206 664 HG22 VAL 102 HG22 VAL 102 14.289 -4.528 -12.325 665 HG23 VAL 102 HG23 VAL 102 15.023 -3.197 -11.431 666 H LEU 103 HN LEU 103 14.996 -1.345 -10.297 667 HA LEU 103 HA LEU 103 12.654 0.392 -10.182 668 HB2 LEU 103 HB2 LEU 103 13.879 0.952 -8.169 669 HB3 LEU 103 HB1 LEU 103 15.366 1.120 -9.076 670 HG LEU 103 HG LEU 103 14.919 3.250 -9.658 671 HD11 LEU 103 HD11 LEU 103 13.304 3.064 -11.277 672 HD12 LEU 103 HD12 LEU 103 12.442 3.990 -10.050 673 HD13 LEU 103 HD13 LEU 103 12.162 2.257 -10.202 674 HD21 LEU 103 HD21 LEU 103 14.003 2.743 -7.144 675 HD22 LEU 103 HD22 LEU 103 12.623 3.562 -7.877 676 HD23 LEU 103 HD23 LEU 103 14.202 4.348 -7.849 677 H GLU 104 HN GLU 104 12.335 0.750 -12.279 678 HA GLU 104 HA GLU 104 14.574 0.986 -14.105 679 HB2 GLU 104 HB2 GLU 104 12.880 1.047 -15.861 680 HB3 GLU 104 HB1 GLU 104 12.599 -0.304 -14.771 681 HG2 GLU 104 HG2 GLU 104 11.154 1.942 -13.805 682 HG3 GLU 104 HG1 GLU 104 10.819 1.757 -15.525 683 H HIS 105 HN HIS 105 15.165 2.808 -15.227 684 HA HIS 105 HA HIS 105 15.438 5.018 -15.691 685 HB2 HIS 105 HB2 HIS 105 12.760 4.622 -15.934 686 HB3 HIS 105 HB1 HIS 105 12.791 5.861 -14.683 687 HD1 HIS 105 HD1 HIS 105 11.810 7.648 -16.254 688 HD2 HIS 105 HD2 HIS 105 15.399 6.028 -17.581 689 HE1 HIS 105 HE1 HIS 105 12.574 9.147 -18.123 690 HE2 HIS 105 HE2 HIS 105 14.703 8.097 -18.967 691 H HIS 106 HN HIS 106 14.541 7.322 -14.426 692 HA HIS 106 HA HIS 106 14.902 8.668 -12.627 693 HB2 HIS 106 HB2 HIS 106 13.516 6.721 -11.533 694 HB3 HIS 106 HB1 HIS 106 15.054 6.315 -10.779 695 HD1 HIS 106 HD1 HIS 106 12.621 9.211 -11.020 696 HD2 HIS 106 HD2 HIS 106 15.668 7.799 -8.573 697 HE1 HIS 106 HE1 HIS 106 12.609 10.708 -9.000 698 HE2 HIS 106 HE2 HIS 106 14.402 9.780 -7.494 699 H HIS 107 HN HIS 107 16.859 9.551 -12.763 700 HA HIS 107 HA HIS 107 19.290 8.170 -12.860 701 HB2 HIS 107 HB2 HIS 107 18.571 10.722 -13.335 702 HB3 HIS 107 HB1 HIS 107 19.324 10.922 -11.756 703 HD1 HIS 107 HD1 HIS 107 20.421 8.729 -14.662 704 HD2 HIS 107 HD2 HIS 107 21.779 11.903 -12.350 705 HE1 HIS 107 HE1 HIS 107 22.782 9.148 -15.418 706 HE2 HIS 107 HE2 HIS 107 23.611 11.018 -13.947 707 H HIS 108 HN HIS 108 20.875 7.746 -11.348 708 HA HIS 108 HA HIS 108 20.863 8.599 -8.676 709 HB2 HIS 108 HB2 HIS 108 18.806 6.986 -8.854 710 HB3 HIS 108 HB1 HIS 108 20.031 5.722 -8.810 711 HD1 HIS 108 HD1 HIS 108 20.355 4.857 -6.529 712 HD2 HIS 108 HD2 HIS 108 19.371 8.894 -6.509 713 HE1 HIS 108 HE1 HIS 108 20.298 5.523 -4.104 714 HE2 HIS 108 HE2 HIS 108 19.786 7.990 -4.121 715 H HIS 109 HN HIS 109 22.725 8.240 -10.777 716 HA HIS 109 HA HIS 109 24.833 6.976 -9.365 717 HB2 HIS 109 HB2 HIS 109 23.398 5.086 -10.563 718 HB3 HIS 109 HB1 HIS 109 24.356 5.575 -11.956 719 HD1 HIS 109 HD1 HIS 109 26.197 3.956 -12.226 720 HD2 HIS 109 HD2 HIS 109 25.496 4.833 -8.226 721 HE1 HIS 109 HE1 HIS 109 27.942 2.679 -10.942 722 HE2 HIS 109 HE2 HIS 109 27.555 3.299 -8.531 723 H HIS 110 HN HIS 110 26.805 6.706 -10.980 724 HA HIS 110 HA HIS 110 26.784 8.631 -13.141 725 HB2 HIS 110 HB2 HIS 110 28.057 9.169 -10.506 726 HB3 HIS 110 HB1 HIS 110 28.956 9.637 -11.946 727 HD1 HIS 110 HD1 HIS 110 27.924 11.776 -10.010 728 HD2 HIS 110 HD2 HIS 110 25.832 10.471 -13.355 729 HE1 HIS 110 HE1 HIS 110 26.346 13.647 -10.589 730 HE2 HIS 110 HE2 HIS 110 25.153 12.870 -12.667 Start of MODEL 10 1 H1 ALA 22 HT1 ALA 22 -16.344 7.016 9.336 2 H2 ALA 22 HT2 ALA 22 -15.607 8.355 10.117 3 H3 ALA 22 HT3 ALA 22 -15.533 6.795 10.830 4 HA ALA 22 HA ALA 22 -14.371 6.090 8.741 5 HB1 ALA 22 HB1 ALA 22 -13.699 9.008 8.556 6 HB2 ALA 22 HB2 ALA 22 -15.019 8.299 7.626 7 HB3 ALA 22 HB3 ALA 22 -13.369 7.719 7.397 8 H ASN 23 HN ASN 23 -12.970 5.057 10.023 9 HA ASN 23 HA ASN 23 -10.856 6.613 11.281 10 HB2 ASN 23 HB2 ASN 23 -12.728 4.793 12.783 11 HB3 ASN 23 HB1 ASN 23 -11.104 5.134 13.371 12 HD21 ASN 23 HD21 ASN 23 -14.136 6.646 12.407 13 HD22 ASN 23 HD22 ASN 23 -13.982 8.028 13.432 14 H VAL 24 HN VAL 24 -9.701 5.641 9.495 15 HA VAL 24 HA VAL 24 -8.589 3.062 10.243 16 HB VAL 24 HB VAL 24 -8.810 2.124 7.976 17 HG11 VAL 24 HG11 VAL 24 -10.539 1.860 9.908 18 HG12 VAL 24 HG12 VAL 24 -10.927 1.260 8.296 19 HG13 VAL 24 HG13 VAL 24 -11.588 2.800 8.846 20 HG21 VAL 24 HG21 VAL 24 -10.919 4.080 7.261 21 HG22 VAL 24 HG22 VAL 24 -9.816 3.170 6.229 22 HG23 VAL 24 HG23 VAL 24 -9.240 4.593 7.094 23 H ARG 25 HN ARG 25 -6.545 2.660 9.363 24 HA ARG 25 HA ARG 25 -5.343 4.642 7.613 25 HB2 ARG 25 HB2 ARG 25 -4.728 4.387 10.506 26 HB3 ARG 25 HB1 ARG 25 -3.357 4.578 9.421 27 HG2 ARG 25 HG2 ARG 25 -5.720 6.438 9.478 28 HG3 ARG 25 HG1 ARG 25 -4.231 6.701 10.386 29 HD2 ARG 25 HD2 ARG 25 -3.288 6.208 7.869 30 HD3 ARG 25 HD1 ARG 25 -4.792 7.064 7.535 31 HE ARG 25 HE ARG 25 -3.228 8.371 9.533 32 HH11 ARG 25 HH11 ARG 25 -3.576 7.925 6.090 33 HH12 ARG 25 HH12 ARG 25 -2.826 9.434 5.692 34 HH21 ARG 25 HH21 ARG 25 -2.242 10.357 9.012 35 HH22 ARG 25 HH22 ARG 25 -2.068 10.815 7.351 36 H LEU 26 HN LEU 26 -4.581 3.327 6.069 37 HA LEU 26 HA LEU 26 -3.762 0.653 6.541 38 HB2 LEU 26 HB2 LEU 26 -3.811 2.510 4.237 39 HB3 LEU 26 HB1 LEU 26 -2.655 1.195 4.143 40 HG LEU 26 HG LEU 26 -4.340 -0.448 4.169 41 HD11 LEU 26 HD11 LEU 26 -6.683 -0.002 4.639 42 HD12 LEU 26 HD12 LEU 26 -6.319 1.702 4.912 43 HD13 LEU 26 HD13 LEU 26 -5.672 0.477 6.003 44 HD21 LEU 26 HD21 LEU 26 -5.475 1.842 2.572 45 HD22 LEU 26 HD22 LEU 26 -5.734 0.121 2.291 46 HD23 LEU 26 HD23 LEU 26 -4.133 0.822 2.055 47 H GLN 27 HN GLN 27 -1.822 -0.196 6.998 48 HA GLN 27 HA GLN 27 0.337 1.631 7.647 49 HB2 GLN 27 HB2 GLN 27 -0.575 -0.742 8.754 50 HB3 GLN 27 HB1 GLN 27 0.923 -1.208 7.961 51 HG2 GLN 27 HG2 GLN 27 1.604 -0.640 10.094 52 HG3 GLN 27 HG1 GLN 27 1.947 0.817 9.163 53 HE21 GLN 27 HE21 GLN 27 1.418 0.404 12.041 54 HE22 GLN 27 HE22 GLN 27 0.106 1.462 12.421 55 H VAL 28 HN VAL 28 2.296 1.746 6.657 56 HA VAL 28 HA VAL 28 2.553 0.274 4.120 57 HB VAL 28 HB VAL 28 4.372 2.147 3.744 58 HG11 VAL 28 HG11 VAL 28 1.588 1.866 3.102 59 HG12 VAL 28 HG12 VAL 28 2.903 2.518 2.125 60 HG13 VAL 28 HG13 VAL 28 2.017 3.572 3.225 61 HG21 VAL 28 HG21 VAL 28 4.123 4.137 4.871 62 HG22 VAL 28 HG22 VAL 28 3.804 2.975 6.159 63 HG23 VAL 28 HG23 VAL 28 2.463 3.785 5.349 64 H GLU 29 HN GLU 29 4.324 -0.925 3.683 65 HA GLU 29 HA GLU 29 6.645 -0.796 5.435 66 HB2 GLU 29 HB2 GLU 29 4.650 -2.927 5.522 67 HB3 GLU 29 HB1 GLU 29 6.272 -3.533 5.217 68 HG2 GLU 29 HG2 GLU 29 6.746 -1.807 7.246 69 HG3 GLU 29 HG1 GLU 29 5.117 -2.354 7.640 70 H GLY 30 HN GLY 30 8.499 -1.146 4.354 71 HA2 GLY 30 HA2 GLY 30 9.930 -1.942 2.712 72 HA3 GLY 30 HA1 GLY 30 8.576 -2.768 1.958 73 H LEU 31 HN LEU 31 8.855 0.637 2.772 74 HA LEU 31 HA LEU 31 9.070 1.336 -0.064 75 HB2 LEU 31 HB2 LEU 31 7.063 2.624 1.770 76 HB3 LEU 31 HB1 LEU 31 7.253 2.871 0.047 77 HG LEU 31 HG LEU 31 6.522 0.180 1.153 78 HD11 LEU 31 HD11 LEU 31 4.726 1.301 2.000 79 HD12 LEU 31 HD12 LEU 31 4.158 1.008 0.357 80 HD13 LEU 31 HD13 LEU 31 4.816 2.584 0.795 81 HD21 LEU 31 HD21 LEU 31 7.215 0.082 -1.097 82 HD22 LEU 31 HD22 LEU 31 6.322 1.543 -1.516 83 HD23 LEU 31 HD23 LEU 31 5.451 0.056 -1.138 84 H SER 32 HN SER 32 9.738 3.556 -0.411 85 HA SER 32 HA SER 32 10.539 5.214 1.765 86 HB2 SER 32 HB2 SER 32 12.536 3.410 0.484 87 HB3 SER 32 HB1 SER 32 13.044 5.055 0.866 88 HG SER 32 HG SER 32 11.787 3.351 2.747 89 H GLY 33 HN GLY 33 11.500 7.224 1.061 90 HA2 GLY 33 HA2 GLY 33 11.600 9.040 -0.334 91 HA3 GLY 33 HA1 GLY 33 12.063 7.900 -1.586 92 H GLN 34 HN GLN 34 10.756 7.732 -3.275 93 HA GLN 34 HA GLN 34 8.180 9.071 -3.187 94 HB2 GLN 34 HB2 GLN 34 10.108 8.989 -5.093 95 HB3 GLN 34 HB1 GLN 34 9.028 7.733 -5.681 96 HG2 GLN 34 HG2 GLN 34 7.280 9.736 -5.084 97 HG3 GLN 34 HG1 GLN 34 8.695 10.633 -5.635 98 HE21 GLN 34 HE21 GLN 34 9.714 9.000 -7.548 99 HE22 GLN 34 HE22 GLN 34 8.595 8.842 -8.855 100 H LEU 35 HN LEU 35 9.290 5.927 -2.731 101 HA LEU 35 HA LEU 35 7.049 4.572 -3.924 102 HB2 LEU 35 HB2 LEU 35 9.328 3.711 -2.198 103 HB3 LEU 35 HB1 LEU 35 7.990 2.632 -2.517 104 HG LEU 35 HG LEU 35 10.105 2.497 -3.993 105 HD11 LEU 35 HD11 LEU 35 8.831 1.738 -5.854 106 HD12 LEU 35 HD12 LEU 35 7.449 2.714 -5.361 107 HD13 LEU 35 HD13 LEU 35 7.946 1.335 -4.378 108 HD21 LEU 35 HD21 LEU 35 8.698 4.833 -5.250 109 HD22 LEU 35 HD22 LEU 35 10.022 3.916 -5.975 110 HD23 LEU 35 HD23 LEU 35 10.299 4.853 -4.507 111 H GLU 36 HN GLU 36 8.146 5.333 -0.643 112 HA GLU 36 HA GLU 36 5.896 4.249 0.676 113 HB2 GLU 36 HB2 GLU 36 6.777 5.259 2.638 114 HB3 GLU 36 HB1 GLU 36 8.153 4.733 1.688 115 HG2 GLU 36 HG2 GLU 36 8.309 7.087 0.817 116 HG3 GLU 36 HG1 GLU 36 7.115 7.529 2.037 117 H LYS 37 HN LYS 37 6.572 7.317 -0.829 118 HA LYS 37 HA LYS 37 4.380 8.707 0.386 119 HB2 LYS 37 HB2 LYS 37 5.017 10.563 -0.890 120 HB3 LYS 37 HB1 LYS 37 6.533 9.722 -0.605 121 HG2 LYS 37 HG2 LYS 37 6.674 10.298 -2.827 122 HG3 LYS 37 HG1 LYS 37 6.105 8.633 -2.897 123 HD2 LYS 37 HD2 LYS 37 4.388 9.329 -4.134 124 HD3 LYS 37 HD1 LYS 37 3.801 10.233 -2.737 125 HE2 LYS 37 HE2 LYS 37 4.063 12.059 -3.993 126 HE3 LYS 37 HE1 LYS 37 5.795 11.848 -3.738 127 HZ1 LYS 37 HZ1 LYS 37 4.638 11.952 -6.142 128 HZ2 LYS 37 HZ2 LYS 37 4.665 10.279 -5.895 129 HZ3 LYS 37 HZ3 LYS 37 6.105 11.165 -5.838 130 H ASN 38 HN ASN 38 4.960 7.140 -2.743 131 HA ASN 38 HA ASN 38 2.504 7.807 -3.932 132 HB2 ASN 38 HB2 ASN 38 4.784 6.253 -4.596 133 HB3 ASN 38 HB1 ASN 38 3.377 5.219 -4.812 134 HD21 ASN 38 HD21 ASN 38 2.770 5.210 -6.843 135 HD22 ASN 38 HD22 ASN 38 2.719 6.574 -7.902 136 H VAL 39 HN VAL 39 3.516 4.993 -2.029 137 HA VAL 39 HA VAL 39 1.091 3.580 -2.182 138 HB VAL 39 HB VAL 39 3.095 3.537 0.080 139 HG11 VAL 39 HG11 VAL 39 2.190 1.119 0.201 140 HG12 VAL 39 HG12 VAL 39 0.812 1.760 -0.692 141 HG13 VAL 39 HG13 VAL 39 1.223 2.423 0.889 142 HG21 VAL 39 HG21 VAL 39 3.304 1.297 -1.676 143 HG22 VAL 39 HG22 VAL 39 4.520 2.510 -1.281 144 HG23 VAL 39 HG23 VAL 39 3.413 2.778 -2.626 145 H ARG 40 HN ARG 40 2.302 5.945 0.169 146 HA ARG 40 HA ARG 40 0.271 5.865 2.039 147 HB2 ARG 40 HB2 ARG 40 2.241 7.868 1.152 148 HB3 ARG 40 HB1 ARG 40 0.820 8.539 1.941 149 HG2 ARG 40 HG2 ARG 40 1.283 7.501 3.953 150 HG3 ARG 40 HG1 ARG 40 2.306 6.276 3.201 151 HD2 ARG 40 HD2 ARG 40 3.910 7.608 4.136 152 HD3 ARG 40 HD1 ARG 40 3.760 8.375 2.556 153 HE ARG 40 HE ARG 40 1.997 9.516 4.495 154 HH11 ARG 40 HH11 ARG 40 5.284 9.535 3.322 155 HH12 ARG 40 HH12 ARG 40 5.603 11.146 3.872 156 HH21 ARG 40 HH21 ARG 40 2.415 11.634 5.219 157 HH22 ARG 40 HH22 ARG 40 3.974 12.338 4.949 158 H ALA 41 HN ALA 41 0.407 7.699 -0.997 159 HA ALA 41 HA ALA 41 -2.063 9.013 -0.728 160 HB1 ALA 41 HB1 ALA 41 -0.065 9.139 -2.531 161 HB2 ALA 41 HB2 ALA 41 -1.673 9.809 -2.808 162 HB3 ALA 41 HB3 ALA 41 -1.255 8.222 -3.454 163 H GLN 42 HN GLN 42 -1.227 5.997 -2.432 164 HA GLN 42 HA GLN 42 -3.845 5.346 -3.215 165 HB2 GLN 42 HB2 GLN 42 -1.550 3.458 -2.647 166 HB3 GLN 42 HB1 GLN 42 -2.985 3.089 -3.595 167 HG2 GLN 42 HG2 GLN 42 -2.091 3.957 -5.433 168 HG3 GLN 42 HG1 GLN 42 -1.654 5.444 -4.597 169 HE21 GLN 42 HE21 GLN 42 0.276 5.548 -5.743 170 HE22 GLN 42 HE22 GLN 42 1.608 4.517 -5.376 171 H LEU 43 HN LEU 43 -2.066 4.843 -0.248 172 HA LEU 43 HA LEU 43 -3.713 2.924 0.961 173 HB2 LEU 43 HB2 LEU 43 -2.065 5.141 2.170 174 HB3 LEU 43 HB1 LEU 43 -2.867 3.908 3.118 175 HG LEU 43 HG LEU 43 -0.345 3.792 1.640 176 HD11 LEU 43 HD11 LEU 43 -1.557 2.819 4.097 177 HD12 LEU 43 HD12 LEU 43 0.118 3.233 3.743 178 HD13 LEU 43 HD13 LEU 43 -0.503 1.637 3.323 179 HD21 LEU 43 HD21 LEU 43 -0.593 1.363 1.111 180 HD22 LEU 43 HD22 LEU 43 -1.535 2.432 0.072 181 HD23 LEU 43 HD23 LEU 43 -2.329 1.539 1.369 182 H SER 44 HN SER 44 -3.903 6.438 0.824 183 HA SER 44 HA SER 44 -6.248 6.553 2.497 184 HB2 SER 44 HB2 SER 44 -4.501 8.516 1.110 185 HB3 SER 44 HB1 SER 44 -6.165 9.011 1.421 186 HG SER 44 HG SER 44 -5.420 9.463 3.334 187 H THR 45 HN THR 45 -5.624 6.038 -0.837 188 HA THR 45 HA THR 45 -8.216 7.018 -1.704 189 HB THR 45 HB THR 45 -7.538 6.479 -3.916 190 HG1 THR 45 HG1 THR 45 -5.754 4.738 -2.639 191 HG21 THR 45 HG21 THR 45 -6.105 8.150 -3.986 192 HG22 THR 45 HG22 THR 45 -4.825 7.076 -3.425 193 HG23 THR 45 HG23 THR 45 -5.794 7.977 -2.259 194 H ILE 46 HN ILE 46 -6.845 4.084 -0.568 195 HA ILE 46 HA ILE 46 -8.381 2.153 -1.836 196 HB ILE 46 HB ILE 46 -7.409 2.166 1.027 197 HG12 ILE 46 HG12 ILE 46 -5.413 2.206 -0.090 198 HG13 ILE 46 HG11 ILE 46 -5.738 0.494 -0.223 199 HG21 ILE 46 HG21 ILE 46 -7.530 -0.306 0.829 200 HG22 ILE 46 HG22 ILE 46 -8.387 -0.100 -0.698 201 HG23 ILE 46 HG23 ILE 46 -9.099 0.487 0.802 202 HD11 ILE 46 HD11 ILE 46 -6.302 2.556 -2.334 203 HD12 ILE 46 HD12 ILE 46 -6.640 0.830 -2.464 204 HD13 ILE 46 HD13 ILE 46 -4.975 1.395 -2.332 205 H GLU 47 HN GLU 47 -10.181 0.895 -0.954 206 HA GLU 47 HA GLU 47 -12.421 2.519 -0.403 207 HB2 GLU 47 HB2 GLU 47 -12.275 -0.470 -0.060 208 HB3 GLU 47 HB1 GLU 47 -13.692 0.505 -0.422 209 HG2 GLU 47 HG2 GLU 47 -12.582 1.124 -2.588 210 HG3 GLU 47 HG1 GLU 47 -11.364 -0.096 -2.221 211 H SER 48 HN SER 48 -10.053 1.736 1.731 212 HA SER 48 HA SER 48 -11.323 0.747 3.984 213 HB2 SER 48 HB2 SER 48 -8.792 1.358 3.494 214 HB3 SER 48 HB1 SER 48 -9.225 2.841 4.342 215 HG SER 48 HG SER 48 -9.151 0.200 5.285 216 H ASP 49 HN ASP 49 -12.198 3.528 2.440 217 HA ASP 49 HA ASP 49 -12.637 5.313 4.584 218 HB2 ASP 49 HB2 ASP 49 -14.004 6.555 3.022 219 HB3 ASP 49 HB1 ASP 49 -12.551 5.984 2.208 220 H GLU 50 HN GLU 50 -13.589 2.659 5.217 221 HA GLU 50 HA GLU 50 -15.253 1.920 6.600 222 HB2 GLU 50 HB2 GLU 50 -16.020 4.529 6.408 223 HB3 GLU 50 HB1 GLU 50 -17.390 3.714 5.665 224 HG2 GLU 50 HG2 GLU 50 -16.486 2.482 8.150 225 HG3 GLU 50 HG1 GLU 50 -17.051 4.142 8.334 226 H VAL 51 HN VAL 51 -14.950 0.208 5.015 227 HA VAL 51 HA VAL 51 -17.447 -0.312 3.592 228 HB VAL 51 HB VAL 51 -16.418 -0.992 1.572 229 HG11 VAL 51 HG11 VAL 51 -16.734 1.358 1.609 230 HG12 VAL 51 HG12 VAL 51 -15.149 1.072 0.888 231 HG13 VAL 51 HG13 VAL 51 -15.272 1.605 2.565 232 HG21 VAL 51 HG21 VAL 51 -13.785 -0.546 1.494 233 HG22 VAL 51 HG22 VAL 51 -14.474 -2.108 1.937 234 HG23 VAL 51 HG23 VAL 51 -13.940 -0.992 3.194 235 H THR 52 HN THR 52 -16.781 -2.728 2.438 236 HA THR 52 HA THR 52 -16.414 -4.400 4.818 237 HB THR 52 HB THR 52 -17.558 -5.050 2.093 238 HG1 THR 52 HG1 THR 52 -19.305 -4.312 2.949 239 HG21 THR 52 HG21 THR 52 -16.907 -7.139 2.717 240 HG22 THR 52 HG22 THR 52 -18.471 -7.048 3.527 241 HG23 THR 52 HG23 THR 52 -16.987 -6.774 4.440 242 HA PRO 53 HA PRO 53 -12.339 -5.036 2.858 243 HB2 PRO 53 HB2 PRO 53 -11.087 -5.866 5.111 244 HB3 PRO 53 HB1 PRO 53 -11.354 -4.159 4.739 245 HG2 PRO 53 HG2 PRO 53 -12.915 -5.969 6.543 246 HG3 PRO 53 HG1 PRO 53 -12.391 -4.296 6.817 247 HD2 PRO 53 HD2 PRO 53 -14.910 -4.925 6.048 248 HD3 PRO 53 HD1 PRO 53 -14.109 -3.419 5.557 249 H ASP 54 HN ASP 54 -12.226 -6.803 1.661 250 HA ASP 54 HA ASP 54 -12.100 -9.406 2.938 251 HB2 ASP 54 HB2 ASP 54 -14.504 -8.707 1.944 252 HB3 ASP 54 HB1 ASP 54 -13.759 -9.335 0.477 253 H ARG 55 HN ARG 55 -11.779 -11.081 0.938 254 HA ARG 55 HA ARG 55 -9.240 -10.768 0.005 255 HB2 ARG 55 HB2 ARG 55 -10.763 -12.815 -0.143 256 HB3 ARG 55 HB1 ARG 55 -11.353 -12.134 -1.653 257 HG2 ARG 55 HG2 ARG 55 -9.462 -12.634 -2.779 258 HG3 ARG 55 HG1 ARG 55 -8.424 -12.359 -1.378 259 HD2 ARG 55 HD2 ARG 55 -8.961 -14.484 -0.460 260 HD3 ARG 55 HD1 ARG 55 -10.258 -14.732 -1.628 261 HE ARG 55 HE ARG 55 -8.707 -15.525 -3.097 262 HH11 ARG 55 HH11 ARG 55 -7.054 -13.634 -0.675 263 HH12 ARG 55 HH12 ARG 55 -5.475 -14.033 -1.262 264 HH21 ARG 55 HH21 ARG 55 -6.631 -16.051 -3.871 265 HH22 ARG 55 HH22 ARG 55 -5.234 -15.405 -3.077 266 H ARG 56 HN ARG 56 -12.141 -9.361 -1.308 267 HA ARG 56 HA ARG 56 -10.949 -8.559 -3.794 268 HB2 ARG 56 HB2 ARG 56 -13.039 -7.140 -3.977 269 HB3 ARG 56 HB1 ARG 56 -13.303 -8.872 -3.834 270 HG2 ARG 56 HG2 ARG 56 -13.977 -8.673 -1.572 271 HG3 ARG 56 HG1 ARG 56 -13.425 -6.999 -1.487 272 HD2 ARG 56 HD2 ARG 56 -15.720 -6.773 -1.730 273 HD3 ARG 56 HD1 ARG 56 -15.129 -6.583 -3.381 274 HE ARG 56 HE ARG 56 -15.799 -9.292 -2.775 275 HH11 ARG 56 HH11 ARG 56 -17.140 -6.206 -3.701 276 HH12 ARG 56 HH12 ARG 56 -18.532 -6.899 -4.464 277 HH21 ARG 56 HH21 ARG 56 -17.629 -10.205 -3.779 278 HH22 ARG 56 HH22 ARG 56 -18.810 -9.169 -4.508 279 H PHE 57 HN PHE 57 -11.617 -7.047 -0.681 280 HA PHE 57 HA PHE 57 -10.884 -4.410 -1.378 281 HB2 PHE 57 HB2 PHE 57 -12.120 -5.048 0.696 282 HB3 PHE 57 HB1 PHE 57 -10.644 -5.776 1.314 283 HD1 PHE 57 HD2 PHE 57 -8.556 -4.131 1.314 284 HD2 PHE 57 HD1 PHE 57 -12.638 -2.926 1.367 285 HE1 PHE 57 HE2 PHE 57 -7.902 -1.971 2.288 286 HE2 PHE 57 HE1 PHE 57 -11.993 -0.762 2.346 287 HZ PHE 57 HZ PHE 57 -9.617 -0.285 2.803 288 H ARG 58 HN ARG 58 -9.130 -7.147 -0.029 289 HA ARG 58 HA ARG 58 -6.636 -6.019 0.383 290 HB2 ARG 58 HB2 ARG 58 -7.826 -8.596 0.301 291 HB3 ARG 58 HB1 ARG 58 -6.364 -8.668 -0.662 292 HG2 ARG 58 HG2 ARG 58 -5.669 -9.259 1.459 293 HG3 ARG 58 HG1 ARG 58 -5.228 -7.555 1.349 294 HD2 ARG 58 HD2 ARG 58 -6.231 -7.665 3.425 295 HD3 ARG 58 HD1 ARG 58 -7.569 -7.157 2.398 296 HE ARG 58 HE ARG 58 -7.737 -9.875 2.419 297 HH11 ARG 58 HH11 ARG 58 -7.647 -7.418 4.895 298 HH12 ARG 58 HH12 ARG 58 -8.603 -8.332 6.012 299 HH21 ARG 58 HH21 ARG 58 -8.995 -11.078 3.887 300 HH22 ARG 58 HH22 ARG 58 -9.368 -10.410 5.441 301 H ALA 59 HN ALA 59 -7.938 -7.567 -2.543 302 HA ALA 59 HA ALA 59 -5.671 -7.346 -4.153 303 HB1 ALA 59 HB1 ALA 59 -8.594 -7.394 -4.873 304 HB2 ALA 59 HB2 ALA 59 -7.463 -8.747 -4.854 305 HB3 ALA 59 HB3 ALA 59 -7.294 -7.473 -6.062 306 H ARG 60 HN ARG 60 -8.382 -5.094 -3.718 307 HA ARG 60 HA ARG 60 -7.676 -3.192 -5.613 308 HB2 ARG 60 HB2 ARG 60 -9.278 -3.200 -3.123 309 HB3 ARG 60 HB1 ARG 60 -8.734 -1.624 -3.681 310 HG2 ARG 60 HG2 ARG 60 -10.758 -1.787 -4.732 311 HG3 ARG 60 HG1 ARG 60 -9.685 -2.434 -5.974 312 HD2 ARG 60 HD2 ARG 60 -10.184 -4.725 -5.029 313 HD3 ARG 60 HD1 ARG 60 -11.453 -3.958 -4.075 314 HE ARG 60 HE ARG 60 -12.016 -3.156 -6.592 315 HH11 ARG 60 HH11 ARG 60 -11.422 -6.288 -5.171 316 HH12 ARG 60 HH12 ARG 60 -12.442 -7.128 -6.290 317 HH21 ARG 60 HH21 ARG 60 -13.358 -4.259 -8.065 318 HH22 ARG 60 HH22 ARG 60 -13.541 -5.977 -7.933 319 H VAL 61 HN VAL 61 -6.752 -3.341 -2.179 320 HA VAL 61 HA VAL 61 -5.083 -1.058 -2.246 321 HB VAL 61 HB VAL 61 -4.549 -3.331 -0.368 322 HG11 VAL 61 HG11 VAL 61 -3.167 -1.744 0.376 323 HG12 VAL 61 HG12 VAL 61 -4.615 -1.008 1.062 324 HG13 VAL 61 HG13 VAL 61 -4.009 -0.468 -0.504 325 HG21 VAL 61 HG21 VAL 61 -6.750 -3.400 0.103 326 HG22 VAL 61 HG22 VAL 61 -7.060 -1.819 -0.612 327 HG23 VAL 61 HG23 VAL 61 -6.390 -1.935 1.016 328 H ASP 62 HN ASP 62 -4.511 -4.493 -2.772 329 HA ASP 62 HA ASP 62 -1.702 -4.407 -2.930 330 HB2 ASP 62 HB2 ASP 62 -3.605 -6.386 -3.045 331 HB3 ASP 62 HB1 ASP 62 -3.016 -6.351 -4.704 332 H ASP 63 HN ASP 63 -4.185 -4.305 -5.463 333 HA ASP 63 HA ASP 63 -2.447 -3.988 -7.640 334 HB2 ASP 63 HB2 ASP 63 -5.003 -4.507 -7.563 335 HB3 ASP 63 HB1 ASP 63 -5.190 -2.758 -7.582 336 H ALA 64 HN ALA 64 -4.122 -1.605 -5.616 337 HA ALA 64 HA ALA 64 -3.391 0.711 -6.964 338 HB1 ALA 64 HB1 ALA 64 -3.881 1.902 -4.953 339 HB2 ALA 64 HB2 ALA 64 -3.614 0.462 -3.970 340 HB3 ALA 64 HB3 ALA 64 -5.003 0.545 -5.054 341 H ILE 65 HN ILE 65 -1.705 -0.917 -4.287 342 HA ILE 65 HA ILE 65 0.490 0.808 -4.135 343 HB ILE 65 HB ILE 65 0.324 -2.146 -3.529 344 HG12 ILE 65 HG12 ILE 65 0.540 -0.144 -1.371 345 HG13 ILE 65 HG11 ILE 65 -0.961 -0.094 -2.286 346 HG21 ILE 65 HG21 ILE 65 2.354 -1.835 -2.194 347 HG22 ILE 65 HG22 ILE 65 2.463 -0.164 -2.745 348 HG23 ILE 65 HG23 ILE 65 2.647 -1.486 -3.898 349 HD11 ILE 65 HD11 ILE 65 -0.092 -1.956 -0.270 350 HD12 ILE 65 HD12 ILE 65 -0.559 -2.785 -1.755 351 HD13 ILE 65 HD13 ILE 65 -1.696 -1.700 -0.955 352 H ARG 66 HN ARG 66 0.276 -2.356 -5.748 353 HA ARG 66 HA ARG 66 2.761 -2.327 -6.983 354 HB2 ARG 66 HB2 ARG 66 1.172 -4.265 -6.834 355 HB3 ARG 66 HB1 ARG 66 0.217 -3.523 -8.105 356 HG2 ARG 66 HG2 ARG 66 2.008 -3.754 -9.676 357 HG3 ARG 66 HG1 ARG 66 3.103 -4.306 -8.407 358 HD2 ARG 66 HD2 ARG 66 0.606 -5.736 -9.311 359 HD3 ARG 66 HD1 ARG 66 2.251 -6.161 -9.780 360 HE ARG 66 HE ARG 66 2.339 -6.230 -7.077 361 HH11 ARG 66 HH11 ARG 66 0.237 -7.708 -9.439 362 HH12 ARG 66 HH12 ARG 66 -0.088 -9.100 -8.462 363 HH21 ARG 66 HH21 ARG 66 1.912 -8.061 -5.791 364 HH22 ARG 66 HH22 ARG 66 0.862 -9.301 -6.391 365 H GLU 67 HN GLU 67 -0.299 -0.902 -8.049 366 HA GLU 67 HA GLU 67 0.504 -0.228 -10.664 367 HB2 GLU 67 HB2 GLU 67 -1.567 0.878 -8.783 368 HB3 GLU 67 HB1 GLU 67 -1.272 1.642 -10.339 369 HG2 GLU 67 HG2 GLU 67 -1.701 -1.275 -10.376 370 HG3 GLU 67 HG1 GLU 67 -3.092 -0.279 -9.951 371 H GLY 68 HN GLY 68 0.321 1.854 -7.768 372 HA2 GLY 68 HA2 GLY 68 1.768 3.992 -8.929 373 HA3 GLY 68 HA1 GLY 68 1.505 3.743 -7.208 374 H LEU 69 HN LEU 69 2.700 1.178 -7.060 375 HA LEU 69 HA LEU 69 5.404 1.889 -6.649 376 HB2 LEU 69 HB2 LEU 69 3.906 -0.721 -6.578 377 HB3 LEU 69 HB1 LEU 69 5.620 -0.693 -6.353 378 HG LEU 69 HG LEU 69 3.476 0.255 -4.519 379 HD11 LEU 69 HD11 LEU 69 4.797 -1.944 -4.408 380 HD12 LEU 69 HD12 LEU 69 4.617 -0.999 -2.930 381 HD13 LEU 69 HD13 LEU 69 6.131 -0.946 -3.832 382 HD21 LEU 69 HD21 LEU 69 4.530 2.264 -4.354 383 HD22 LEU 69 HD22 LEU 69 6.059 1.634 -4.953 384 HD23 LEU 69 HD23 LEU 69 5.585 1.340 -3.286 385 H LYS 70 HN LYS 70 3.665 0.356 -9.238 386 HA LYS 70 HA LYS 70 5.929 -0.632 -10.629 387 HB2 LYS 70 HB2 LYS 70 3.871 -1.650 -11.170 388 HB3 LYS 70 HB1 LYS 70 3.074 -0.103 -11.410 389 HG2 LYS 70 HG2 LYS 70 4.143 0.241 -13.481 390 HG3 LYS 70 HG1 LYS 70 5.294 -1.065 -13.191 391 HD2 LYS 70 HD2 LYS 70 2.347 -1.603 -13.315 392 HD3 LYS 70 HD1 LYS 70 3.311 -1.486 -14.789 393 HE2 LYS 70 HE2 LYS 70 4.864 -3.163 -13.433 394 HE3 LYS 70 HE1 LYS 70 3.328 -3.549 -12.658 395 HZ1 LYS 70 HZ1 LYS 70 3.302 -3.417 -15.562 396 HZ2 LYS 70 HZ2 LYS 70 2.527 -4.500 -14.520 397 HZ3 LYS 70 HZ3 LYS 70 4.164 -4.709 -14.889 398 H ALA 71 HN ALA 71 4.404 2.451 -10.381 399 HA ALA 71 HA ALA 71 5.706 3.495 -12.756 400 HB1 ALA 71 HB1 ALA 71 4.392 5.456 -11.071 401 HB2 ALA 71 HB2 ALA 71 3.345 4.096 -11.475 402 HB3 ALA 71 HB3 ALA 71 4.103 5.036 -12.760 403 H LEU 72 HN LEU 72 6.670 2.984 -9.611 404 HA LEU 72 HA LEU 72 8.416 5.353 -9.649 405 HB2 LEU 72 HB2 LEU 72 7.848 3.668 -7.231 406 HB3 LEU 72 HB1 LEU 72 8.515 5.290 -7.296 407 HG LEU 72 HG LEU 72 5.819 4.967 -8.442 408 HD11 LEU 72 HD11 LEU 72 5.995 3.555 -6.283 409 HD12 LEU 72 HD12 LEU 72 4.649 4.673 -6.482 410 HD13 LEU 72 HD13 LEU 72 6.024 5.117 -5.472 411 HD21 LEU 72 HD21 LEU 72 6.657 6.984 -6.410 412 HD22 LEU 72 HD22 LEU 72 5.540 7.150 -7.764 413 HD23 LEU 72 HD23 LEU 72 7.278 7.096 -8.057 414 H GLY 73 HN GLY 73 8.630 2.330 -10.645 415 HA2 GLY 73 HA2 GLY 73 10.996 1.776 -11.258 416 HA3 GLY 73 HA1 GLY 73 11.362 1.992 -9.563 417 H TYR 74 HN TYR 74 8.378 0.464 -9.776 418 HA TYR 74 HA TYR 74 9.719 -2.150 -9.579 419 HB2 TYR 74 HB2 TYR 74 7.360 -1.064 -8.053 420 HB3 TYR 74 HB1 TYR 74 7.804 -2.765 -8.055 421 HD1 TYR 74 HD1 TYR 74 10.674 -2.759 -7.905 422 HD2 TYR 74 HD2 TYR 74 7.903 -0.180 -5.973 423 HE1 TYR 74 HE1 TYR 74 12.327 -2.317 -6.140 424 HE2 TYR 74 HE2 TYR 74 9.552 0.270 -4.202 425 HH TYR 74 HH TYR 74 12.773 -0.414 -4.470 426 H TYR 75 HN TYR 75 8.114 -4.010 -9.896 427 HA TYR 75 HA TYR 75 6.400 -3.402 -12.209 428 HB2 TYR 75 HB2 TYR 75 8.610 -5.269 -11.936 429 HB3 TYR 75 HB1 TYR 75 7.135 -6.083 -12.445 430 HD1 TYR 75 HD2 TYR 75 7.821 -2.589 -13.329 431 HD2 TYR 75 HD1 TYR 75 7.990 -6.632 -14.638 432 HE1 TYR 75 HE2 TYR 75 8.198 -1.820 -15.635 433 HE2 TYR 75 HE1 TYR 75 8.369 -5.876 -16.947 434 HH TYR 75 HH TYR 75 7.680 -3.333 -18.187 435 H GLN 76 HN GLN 76 6.962 -5.774 -9.605 436 HA GLN 76 HA GLN 76 4.118 -5.829 -9.080 437 HB2 GLN 76 HB2 GLN 76 4.186 -8.404 -9.149 438 HB3 GLN 76 HB1 GLN 76 4.032 -7.533 -10.667 439 HG2 GLN 76 HG2 GLN 76 6.469 -7.784 -11.006 440 HG3 GLN 76 HG1 GLN 76 6.537 -8.761 -9.540 441 HE21 GLN 76 HE21 GLN 76 7.397 -10.421 -10.924 442 HE22 GLN 76 HE22 GLN 76 6.325 -11.407 -11.852 443 HA PRO 77 HA PRO 77 7.277 -6.262 -5.479 444 HB2 PRO 77 HB2 PRO 77 5.343 -4.185 -4.547 445 HB3 PRO 77 HB1 PRO 77 7.084 -4.304 -4.268 446 HG2 PRO 77 HG2 PRO 77 6.104 -2.587 -6.040 447 HG3 PRO 77 HG1 PRO 77 7.606 -3.474 -6.361 448 HD2 PRO 77 HD2 PRO 77 4.876 -3.885 -7.494 449 HD3 PRO 77 HD1 PRO 77 6.462 -4.145 -8.246 450 H THR 78 HN THR 78 6.811 -7.892 -4.112 451 HA THR 78 HA THR 78 4.200 -8.947 -3.852 452 HB THR 78 HB THR 78 6.277 -9.450 -1.755 453 HG1 THR 78 HG1 THR 78 6.433 -10.432 -4.410 454 HG21 THR 78 HG21 THR 78 5.469 -11.853 -2.776 455 HG22 THR 78 HG22 THR 78 4.009 -10.871 -2.891 456 HG23 THR 78 HG23 THR 78 4.817 -11.072 -1.336 457 H ILE 79 HN ILE 79 2.657 -7.656 -3.027 458 HA ILE 79 HA ILE 79 3.231 -6.287 -0.490 459 HB ILE 79 HB ILE 79 1.158 -5.581 -2.567 460 HG12 ILE 79 HG12 ILE 79 3.265 -3.646 -1.956 461 HG13 ILE 79 HG11 ILE 79 3.887 -5.141 -2.642 462 HG21 ILE 79 HG21 ILE 79 1.433 -3.396 -0.979 463 HG22 ILE 79 HG22 ILE 79 1.624 -4.700 0.193 464 HG23 ILE 79 HG23 ILE 79 0.167 -4.611 -0.798 465 HD11 ILE 79 HD11 ILE 79 1.712 -3.480 -3.891 466 HD12 ILE 79 HD12 ILE 79 2.535 -4.869 -4.599 467 HD13 ILE 79 HD13 ILE 79 3.423 -3.369 -4.312 468 H GLU 80 HN GLU 80 2.531 -7.506 1.121 469 HA GLU 80 HA GLU 80 -0.011 -8.941 0.877 470 HB2 GLU 80 HB2 GLU 80 2.148 -9.090 2.991 471 HB3 GLU 80 HB1 GLU 80 0.678 -10.055 2.985 472 HG2 GLU 80 HG2 GLU 80 1.698 -10.559 0.506 473 HG3 GLU 80 HG1 GLU 80 3.157 -10.390 1.481 474 H PHE 81 HN PHE 81 -1.267 -8.998 3.081 475 HA PHE 81 HA PHE 81 -1.221 -6.389 4.390 476 HB2 PHE 81 HB2 PHE 81 -3.717 -7.528 3.124 477 HB3 PHE 81 HB1 PHE 81 -3.618 -6.045 4.067 478 HD1 PHE 81 HD2 PHE 81 -2.191 -4.154 3.176 479 HD2 PHE 81 HD1 PHE 81 -3.323 -7.519 0.830 480 HE1 PHE 81 HE2 PHE 81 -1.711 -2.881 1.127 481 HE2 PHE 81 HE1 PHE 81 -2.845 -6.252 -1.222 482 HZ PHE 81 HZ PHE 81 -2.040 -3.930 -1.076 483 H ASP 82 HN ASP 82 -2.449 -6.274 6.334 484 HA ASP 82 HA ASP 82 -3.426 -8.772 7.468 485 HB2 ASP 82 HB2 ASP 82 -1.037 -8.722 8.075 486 HB3 ASP 82 HB1 ASP 82 -1.253 -7.130 8.793 487 H LEU 83 HN LEU 83 -5.466 -7.913 7.571 488 HA LEU 83 HA LEU 83 -5.881 -5.342 8.860 489 HB2 LEU 83 HB2 LEU 83 -7.162 -5.699 6.896 490 HB3 LEU 83 HB1 LEU 83 -7.692 -7.277 7.441 491 HG LEU 83 HG LEU 83 -8.761 -5.775 9.396 492 HD11 LEU 83 HD11 LEU 83 -9.534 -3.687 8.653 493 HD12 LEU 83 HD12 LEU 83 -9.037 -4.002 6.990 494 HD13 LEU 83 HD13 LEU 83 -7.821 -3.720 8.235 495 HD21 LEU 83 HD21 LEU 83 -9.674 -7.304 7.345 496 HD22 LEU 83 HD22 LEU 83 -10.385 -5.737 6.957 497 HD23 LEU 83 HD23 LEU 83 -10.701 -6.485 8.522 498 H ARG 84 HN ARG 84 -6.866 -5.003 10.777 499 HA ARG 84 HA ARG 84 -7.873 -7.280 12.287 500 HB2 ARG 84 HB2 ARG 84 -6.650 -6.307 14.324 501 HB3 ARG 84 HB1 ARG 84 -5.714 -7.248 13.185 502 HG2 ARG 84 HG2 ARG 84 -5.859 -4.288 12.930 503 HG3 ARG 84 HG1 ARG 84 -4.786 -5.030 14.119 504 HD2 ARG 84 HD2 ARG 84 -4.729 -6.139 11.385 505 HD3 ARG 84 HD1 ARG 84 -4.055 -4.531 11.610 506 HE ARG 84 HE ARG 84 -2.834 -6.954 12.329 507 HH11 ARG 84 HH11 ARG 84 -3.339 -3.735 13.583 508 HH12 ARG 84 HH12 ARG 84 -1.899 -3.749 14.543 509 HH21 ARG 84 HH21 ARG 84 -0.941 -6.972 13.591 510 HH22 ARG 84 HH22 ARG 84 -0.537 -5.585 14.547 511 HA PRO 85 HA PRO 85 -11.041 -4.107 12.581 512 HB2 PRO 85 HB2 PRO 85 -12.709 -5.666 14.150 513 HB3 PRO 85 HB1 PRO 85 -12.692 -5.633 12.386 514 HG2 PRO 85 HG2 PRO 85 -11.434 -7.580 14.259 515 HG3 PRO 85 HG1 PRO 85 -12.209 -7.865 12.690 516 HD2 PRO 85 HD2 PRO 85 -9.536 -7.855 12.977 517 HD3 PRO 85 HD1 PRO 85 -10.323 -7.253 11.504 518 HA PRO 86 HA PRO 86 -10.617 -3.703 17.256 519 HB2 PRO 86 HB2 PRO 86 -9.265 -5.496 18.700 520 HB3 PRO 86 HB1 PRO 86 -10.864 -5.867 18.046 521 HG2 PRO 86 HG2 PRO 86 -8.228 -6.892 17.230 522 HG3 PRO 86 HG1 PRO 86 -9.835 -7.583 16.956 523 HD2 PRO 86 HD2 PRO 86 -8.219 -5.956 15.169 524 HD3 PRO 86 HD1 PRO 86 -9.728 -6.815 14.827 525 HA PRO 87 HA PRO 87 -6.154 -2.278 16.389 526 HB2 PRO 87 HB2 PRO 87 -6.782 0.372 16.132 527 HB3 PRO 87 HB1 PRO 87 -6.680 -0.749 14.771 528 HG2 PRO 87 HG2 PRO 87 -9.083 0.216 16.257 529 HG3 PRO 87 HG1 PRO 87 -8.864 -0.013 14.514 530 HD2 PRO 87 HD2 PRO 87 -10.197 -1.791 16.033 531 HD3 PRO 87 HD1 PRO 87 -9.210 -2.298 14.648 532 H LYS 88 HN LYS 88 -5.068 -0.388 17.585 533 HA LYS 88 HA LYS 88 -5.941 -0.526 20.359 534 HB2 LYS 88 HB2 LYS 88 -3.693 0.404 20.857 535 HB3 LYS 88 HB1 LYS 88 -3.666 -1.137 20.010 536 HG2 LYS 88 HG2 LYS 88 -2.200 -0.141 18.682 537 HG3 LYS 88 HG1 LYS 88 -3.602 0.610 17.935 538 HD2 LYS 88 HD2 LYS 88 -2.978 2.637 18.617 539 HD3 LYS 88 HD1 LYS 88 -2.772 2.076 20.280 540 HE2 LYS 88 HE2 LYS 88 -0.543 1.798 20.049 541 HE3 LYS 88 HE1 LYS 88 -0.680 1.236 18.384 542 HZ1 LYS 88 HZ1 LYS 88 -0.441 3.306 17.573 543 HZ2 LYS 88 HZ2 LYS 88 0.315 3.605 19.056 544 HZ3 LYS 88 HZ3 LYS 88 -1.305 4.036 18.832 545 H LYS 89 HN LYS 89 -5.408 1.829 17.804 546 HA LYS 89 HA LYS 89 -6.531 3.882 19.589 547 HB2 LYS 89 HB2 LYS 89 -4.060 4.132 19.271 548 HB3 LYS 89 HB1 LYS 89 -4.368 4.395 17.560 549 HG2 LYS 89 HG2 LYS 89 -6.047 6.204 18.761 550 HG3 LYS 89 HG1 LYS 89 -4.634 6.216 19.816 551 HD2 LYS 89 HD2 LYS 89 -3.799 7.684 18.337 552 HD3 LYS 89 HD1 LYS 89 -3.479 6.260 17.346 553 HE2 LYS 89 HE2 LYS 89 -5.257 6.660 15.951 554 HE3 LYS 89 HE1 LYS 89 -6.161 7.543 17.182 555 HZ1 LYS 89 HZ1 LYS 89 -3.758 8.547 15.753 556 HZ2 LYS 89 HZ2 LYS 89 -4.632 9.395 16.927 557 HZ3 LYS 89 HZ3 LYS 89 -5.355 9.015 15.446 558 H GLY 90 HN GLY 90 -7.908 2.269 17.593 559 HA2 GLY 90 HA2 GLY 90 -9.212 4.452 16.264 560 HA3 GLY 90 HA1 GLY 90 -8.296 3.442 15.165 561 H ARG 91 HN ARG 91 -10.316 2.990 14.116 562 HA ARG 91 HA ARG 91 -12.199 1.322 15.596 563 HB2 ARG 91 HB2 ARG 91 -12.278 2.839 13.030 564 HB3 ARG 91 HB1 ARG 91 -13.326 1.436 13.194 565 HG2 ARG 91 HG2 ARG 91 -14.544 3.405 13.811 566 HG3 ARG 91 HG1 ARG 91 -14.264 2.425 15.251 567 HD2 ARG 91 HD2 ARG 91 -12.088 4.247 14.914 568 HD3 ARG 91 HD1 ARG 91 -13.608 5.137 14.832 569 HE ARG 91 HE ARG 91 -13.482 3.297 17.031 570 HH11 ARG 91 HH11 ARG 91 -12.655 6.512 15.954 571 HH12 ARG 91 HH12 ARG 91 -12.611 7.172 17.555 572 HH21 ARG 91 HH21 ARG 91 -13.426 4.163 19.136 573 HH22 ARG 91 HH22 ARG 91 -13.048 5.838 19.362 574 H GLN 92 HN GLN 92 -10.435 1.223 12.509 575 HA GLN 92 HA GLN 92 -9.871 -1.604 12.907 576 HB2 GLN 92 HB2 GLN 92 -11.392 -0.537 10.520 577 HB3 GLN 92 HB1 GLN 92 -10.623 -2.117 10.556 578 HG2 GLN 92 HG2 GLN 92 -12.058 -2.445 12.710 579 HG3 GLN 92 HG1 GLN 92 -13.026 -1.144 12.020 580 HE21 GLN 92 HE21 GLN 92 -11.343 -3.965 10.663 581 HE22 GLN 92 HE22 GLN 92 -12.717 -4.592 9.825 582 H VAL 93 HN VAL 93 -7.939 -2.241 11.905 583 HA VAL 93 HA VAL 93 -6.639 -0.168 10.263 584 HB VAL 93 HB VAL 93 -5.826 -0.463 12.739 585 HG11 VAL 93 HG11 VAL 93 -5.308 -3.025 11.851 586 HG12 VAL 93 HG12 VAL 93 -4.667 -2.273 13.309 587 HG13 VAL 93 HG13 VAL 93 -3.731 -2.240 11.815 588 HG21 VAL 93 HG21 VAL 93 -3.960 0.679 12.135 589 HG22 VAL 93 HG22 VAL 93 -4.829 0.761 10.602 590 HG23 VAL 93 HG23 VAL 93 -3.559 -0.441 10.833 591 H LEU 94 HN LEU 94 -5.139 -0.855 8.705 592 HA LEU 94 HA LEU 94 -5.050 -3.734 8.164 593 HB2 LEU 94 HB2 LEU 94 -6.843 -2.783 6.789 594 HB3 LEU 94 HB1 LEU 94 -5.726 -1.606 6.133 595 HG LEU 94 HG LEU 94 -6.383 -3.811 4.818 596 HD11 LEU 94 HD11 LEU 94 -3.765 -2.369 4.922 597 HD12 LEU 94 HD12 LEU 94 -5.061 -2.249 3.732 598 HD13 LEU 94 HD13 LEU 94 -4.036 -3.684 3.778 599 HD21 LEU 94 HD21 LEU 94 -5.164 -5.690 5.216 600 HD22 LEU 94 HD22 LEU 94 -5.285 -5.083 6.865 601 HD23 LEU 94 HD23 LEU 94 -3.817 -4.804 5.930 602 H ILE 95 HN ILE 95 -2.995 -4.311 8.112 603 HA ILE 95 HA ILE 95 -0.905 -2.382 7.626 604 HB ILE 95 HB ILE 95 -0.671 -5.355 8.095 605 HG12 ILE 95 HG12 ILE 95 0.066 -3.484 10.244 606 HG13 ILE 95 HG11 ILE 95 -1.654 -3.511 9.864 607 HG21 ILE 95 HG21 ILE 95 1.639 -4.450 8.970 608 HG22 ILE 95 HG22 ILE 95 1.303 -3.143 7.836 609 HG23 ILE 95 HG23 ILE 95 1.390 -4.808 7.262 610 HD11 ILE 95 HD11 ILE 95 -0.583 -5.133 11.643 611 HD12 ILE 95 HD12 ILE 95 -0.277 -6.110 10.207 612 HD13 ILE 95 HD13 ILE 95 -1.925 -5.633 10.615 613 H ALA 96 HN ALA 96 0.725 -2.576 6.014 614 HA ALA 96 HA ALA 96 0.148 -4.336 3.752 615 HB1 ALA 96 HB1 ALA 96 -0.019 -2.661 2.153 616 HB2 ALA 96 HB2 ALA 96 0.700 -1.444 3.208 617 HB3 ALA 96 HB3 ALA 96 -0.944 -2.009 3.505 618 H LYS 97 HN LYS 97 1.988 -5.462 3.646 619 HA LYS 97 HA LYS 97 4.541 -4.008 3.854 620 HB2 LYS 97 HB2 LYS 97 4.147 -6.988 4.111 621 HB3 LYS 97 HB1 LYS 97 5.574 -6.054 4.539 622 HG2 LYS 97 HG2 LYS 97 4.781 -5.555 6.563 623 HG3 LYS 97 HG1 LYS 97 3.169 -5.192 5.943 624 HD2 LYS 97 HD2 LYS 97 3.113 -7.087 7.483 625 HD3 LYS 97 HD1 LYS 97 2.664 -7.584 5.850 626 HE2 LYS 97 HE2 LYS 97 5.526 -7.795 6.377 627 HE3 LYS 97 HE1 LYS 97 4.547 -8.795 7.448 628 HZ1 LYS 97 HZ1 LYS 97 3.934 -10.139 5.773 629 HZ2 LYS 97 HZ2 LYS 97 5.331 -9.555 5.021 630 HZ3 LYS 97 HZ3 LYS 97 3.825 -8.887 4.640 631 H VAL 98 HN VAL 98 5.667 -3.726 2.043 632 HA VAL 98 HA VAL 98 5.041 -5.446 -0.264 633 HB VAL 98 HB VAL 98 4.518 -3.072 -0.602 634 HG11 VAL 98 HG11 VAL 98 5.828 -1.545 0.338 635 HG12 VAL 98 HG12 VAL 98 7.001 -1.865 -0.940 636 HG13 VAL 98 HG13 VAL 98 7.117 -2.720 0.598 637 HG21 VAL 98 HG21 VAL 98 6.834 -3.306 -2.380 638 HG22 VAL 98 HG22 VAL 98 5.117 -3.180 -2.760 639 HG23 VAL 98 HG23 VAL 98 5.810 -4.741 -2.328 640 H THR 99 HN THR 99 6.706 -6.251 -1.562 641 HA THR 99 HA THR 99 9.464 -5.754 -0.898 642 HB THR 99 HB THR 99 8.309 -8.514 -0.456 643 HG1 THR 99 HG1 THR 99 8.861 -8.130 1.709 644 HG21 THR 99 HG21 THR 99 10.558 -8.696 -1.287 645 HG22 THR 99 HG22 THR 99 10.530 -9.064 0.438 646 HG23 THR 99 HG23 THR 99 11.119 -7.498 -0.121 647 HA PRO 100 HA PRO 100 8.952 -6.994 -5.247 648 HB2 PRO 100 HB2 PRO 100 10.290 -4.813 -6.257 649 HB3 PRO 100 HB1 PRO 100 8.557 -4.904 -5.982 650 HG2 PRO 100 HG2 PRO 100 10.513 -3.324 -4.589 651 HG3 PRO 100 HG1 PRO 100 8.764 -3.297 -4.402 652 HD2 PRO 100 HD2 PRO 100 10.797 -4.585 -2.739 653 HD3 PRO 100 HD1 PRO 100 9.091 -4.258 -2.375 654 H GLY 101 HN GLY 101 11.898 -5.045 -5.172 655 HA2 GLY 101 HA2 GLY 101 13.860 -6.812 -4.556 656 HA3 GLY 101 HA1 GLY 101 13.405 -7.284 -6.185 657 H VAL 102 HN VAL 102 13.271 -5.304 -7.742 658 HA VAL 102 HA VAL 102 15.685 -3.676 -7.275 659 HB VAL 102 HB VAL 102 15.721 -5.414 -9.148 660 HG11 VAL 102 HG11 VAL 102 13.468 -4.954 -10.019 661 HG12 VAL 102 HG12 VAL 102 14.707 -4.781 -11.263 662 HG13 VAL 102 HG13 VAL 102 13.999 -3.347 -10.518 663 HG21 VAL 102 HG21 VAL 102 17.393 -3.684 -8.977 664 HG22 VAL 102 HG22 VAL 102 16.314 -2.518 -9.742 665 HG23 VAL 102 HG23 VAL 102 16.934 -3.885 -10.668 666 H LEU 103 HN LEU 103 15.729 -1.531 -8.101 667 HA LEU 103 HA LEU 103 13.163 -0.376 -8.892 668 HB2 LEU 103 HB2 LEU 103 13.472 -0.176 -6.393 669 HB3 LEU 103 HB1 LEU 103 14.850 0.857 -6.722 670 HG LEU 103 HG LEU 103 13.016 2.158 -8.173 671 HD11 LEU 103 HD11 LEU 103 11.363 0.333 -7.282 672 HD12 LEU 103 HD12 LEU 103 10.860 2.016 -7.414 673 HD13 LEU 103 HD13 LEU 103 11.336 1.359 -5.849 674 HD21 LEU 103 HD21 LEU 103 14.458 3.025 -6.337 675 HD22 LEU 103 HD22 LEU 103 13.242 2.471 -5.185 676 HD23 LEU 103 HD23 LEU 103 12.835 3.717 -6.366 677 H GLU 104 HN GLU 104 13.314 1.451 -10.172 678 HA GLU 104 HA GLU 104 15.736 1.756 -11.633 679 HB2 GLU 104 HB2 GLU 104 14.537 3.515 -12.855 680 HB3 GLU 104 HB1 GLU 104 13.559 2.062 -12.696 681 HG2 GLU 104 HG2 GLU 104 11.988 3.590 -12.154 682 HG3 GLU 104 HG1 GLU 104 12.681 3.351 -10.551 683 H HIS 105 HN HIS 105 17.225 3.400 -11.638 684 HA HIS 105 HA HIS 105 17.147 5.181 -9.300 685 HB2 HIS 105 HB2 HIS 105 19.332 3.795 -10.760 686 HB3 HIS 105 HB1 HIS 105 19.696 5.390 -10.108 687 HD1 HIS 105 HD1 HIS 105 17.355 3.219 -8.204 688 HD2 HIS 105 HD2 HIS 105 21.393 4.200 -8.186 689 HE1 HIS 105 HE1 HIS 105 18.246 2.360 -6.014 690 HE2 HIS 105 HE2 HIS 105 20.709 2.889 -6.064 691 H HIS 106 HN HIS 106 17.849 7.368 -9.527 692 HA HIS 106 HA HIS 106 16.799 8.662 -11.811 693 HB2 HIS 106 HB2 HIS 106 17.380 9.445 -9.266 694 HB3 HIS 106 HB1 HIS 106 18.693 10.206 -10.158 695 HD1 HIS 106 HD1 HIS 106 16.695 12.029 -8.849 696 HD2 HIS 106 HD2 HIS 106 16.211 10.572 -12.711 697 HE1 HIS 106 HE1 HIS 106 15.144 13.647 -9.988 698 HE2 HIS 106 HE2 HIS 106 14.798 12.699 -12.296 699 H HIS 107 HN HIS 107 18.501 10.672 -12.489 700 HA HIS 107 HA HIS 107 21.122 9.795 -13.144 701 HB2 HIS 107 HB2 HIS 107 20.761 9.735 -15.638 702 HB3 HIS 107 HB1 HIS 107 20.081 8.371 -14.757 703 HD1 HIS 107 HD1 HIS 107 17.969 11.272 -14.326 704 HD2 HIS 107 HD2 HIS 107 18.430 8.318 -17.212 705 HE1 HIS 107 HE1 HIS 107 15.861 11.335 -15.694 706 HE2 HIS 107 HE2 HIS 107 16.199 9.599 -17.488 707 H HIS 108 HN HIS 108 22.361 11.411 -14.184 708 HA HIS 108 HA HIS 108 21.107 14.063 -14.078 709 HB2 HIS 108 HB2 HIS 108 24.044 13.337 -14.060 710 HB3 HIS 108 HB1 HIS 108 23.373 14.950 -13.845 711 HD1 HIS 108 HD1 HIS 108 22.972 11.565 -12.133 712 HD2 HIS 108 HD2 HIS 108 23.235 15.614 -11.237 713 HE1 HIS 108 HE1 HIS 108 22.885 11.706 -9.623 714 HE2 HIS 108 HE2 HIS 108 23.132 14.158 -9.102 715 H HIS 109 HN HIS 109 23.361 12.151 -16.057 716 HA HIS 109 HA HIS 109 23.585 13.972 -18.176 717 HB2 HIS 109 HB2 HIS 109 24.403 12.073 -19.492 718 HB3 HIS 109 HB1 HIS 109 25.109 12.069 -17.879 719 HD1 HIS 109 HD1 HIS 109 24.073 10.283 -16.177 720 HD2 HIS 109 HD2 HIS 109 23.055 9.791 -20.175 721 HE1 HIS 109 HE1 HIS 109 23.186 7.937 -16.361 722 HE2 HIS 109 HE2 HIS 109 22.655 7.635 -18.805 723 H HIS 110 HN HIS 110 22.760 13.608 -20.412 724 HA HIS 110 HA HIS 110 20.137 12.342 -20.557 725 HB2 HIS 110 HB2 HIS 110 20.115 14.928 -19.926 726 HB3 HIS 110 HB1 HIS 110 20.310 15.103 -21.667 727 HD1 HIS 110 HD1 HIS 110 18.155 12.561 -19.855 728 HD2 HIS 110 HD2 HIS 110 17.788 15.821 -22.405 729 HE1 HIS 110 HE1 HIS 110 15.719 12.660 -20.473 730 HE2 HIS 110 HE2 HIS 110 15.507 14.692 -21.948
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