NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
631085 | 6grv | 34282 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA ASN 1 HA ASN 1 0.263 1.768 -4.610 2 HB2 ASN 1 HB2 ASN 1 -0.579 2.564 -1.830 3 HB3 ASN 1 HB3 ASN 1 -0.362 3.761 -3.102 4 HD21 ASN 1 HD21 ASN 1 -2.292 1.125 -1.945 5 HD22 ASN 1 HD22 ASN 1 -3.607 1.339 -3.050 6 H GLU 2 H GLU 2 2.591 0.751 -2.676 7 HA GLU 2 HA GLU 2 4.108 3.152 -2.304 8 HB2 GLU 2 HB2 GLU 2 4.932 0.250 -2.187 9 HB3 GLU 2 HB3 GLU 2 6.011 1.589 -1.833 10 HG2 GLU 2 HG2 GLU 2 4.453 2.275 -0.025 11 HG3 GLU 2 HG3 GLU 2 3.534 0.803 -0.331 12 H LEU 3 H LEU 3 5.785 3.926 -3.480 13 HA LEU 3 HA LEU 3 5.905 3.048 -6.238 14 HB2 LEU 3 HB2 LEU 3 6.652 5.516 -4.768 15 HB3 LEU 3 HB3 LEU 3 7.616 5.115 -6.174 16 HG LEU 3 HG LEU 3 5.777 6.709 -6.657 17 HD11 LEU 3 HD11 LEU 3 5.527 4.042 -8.031 18 HD12 LEU 3 HD12 LEU 3 6.697 5.302 -8.416 19 HD13 LEU 3 HD13 LEU 3 4.976 5.593 -8.663 20 HD21 LEU 3 HD21 LEU 3 3.972 4.359 -6.110 21 HD22 LEU 3 HD22 LEU 3 3.480 5.954 -6.686 22 HD23 LEU 3 HD23 LEU 3 4.146 5.764 -5.062 23 H ARG 4 H ARG 4 7.886 2.593 -7.245 24 HA ARG 4 HA ARG 4 9.829 1.503 -5.336 25 HB2 ARG 4 HB2 ARG 4 8.846 0.324 -7.924 26 HB3 ARG 4 HB3 ARG 4 10.263 -0.272 -7.066 27 HG2 ARG 4 HG2 ARG 4 9.008 -1.017 -5.253 28 HG3 ARG 4 HG3 ARG 4 7.618 -0.024 -5.690 29 HD2 ARG 4 HD2 ARG 4 7.193 -1.414 -7.614 30 HD3 ARG 4 HD3 ARG 4 8.640 -2.365 -7.280 31 HE ARG 4 HE ARG 4 7.566 -3.335 -5.439 32 HH11 ARG 4 HH11 ARG 4 5.466 -1.098 -7.146 33 HH12 ARG 4 HH12 ARG 4 4.018 -1.735 -6.456 34 HH21 ARG 4 HH21 ARG 4 5.645 -4.182 -4.529 35 HH22 ARG 4 HH22 ARG 4 4.116 -3.505 -4.958 36 H CYS 5 H CYS 5 11.985 1.534 -5.878 37 HA CYS 5 HA CYS 5 12.683 3.886 -7.349 38 HB2 CYS 5 HB2 CYS 5 13.749 3.387 -5.213 39 HB3 CYS 5 HB3 CYS 5 14.410 1.900 -5.873 40 H GLY 6 H GLY 6 13.786 4.051 -9.208 41 HA2 GLY 6 HA2 GLY 6 13.601 1.909 -11.057 42 HA3 GLY 6 HA3 GLY 6 14.368 3.463 -11.339 43 H CYS 7 H CYS 7 16.159 2.927 -8.909 44 HA CYS 7 HA CYS 7 18.226 1.653 -10.435 45 HB2 CYS 7 HB2 CYS 7 18.842 3.520 -9.009 46 HB3 CYS 7 HB3 CYS 7 18.226 2.688 -7.588 47 HA PRO 8 HA PRO 8 17.033 -2.426 -9.006 48 HB2 PRO 8 HB2 PRO 8 19.045 -3.725 -10.338 49 HB3 PRO 8 HB3 PRO 8 17.530 -3.228 -11.095 50 HG2 PRO 8 HG2 PRO 8 20.205 -1.891 -11.156 51 HG3 PRO 8 HG3 PRO 8 19.031 -2.105 -12.467 52 HD2 PRO 8 HD2 PRO 8 19.312 0.226 -11.148 53 HD3 PRO 8 HD3 PRO 8 17.739 -0.321 -11.766 54 H ASP 9 H ASP 9 20.193 -0.953 -8.778 55 HA ASP 9 HA ASP 9 21.186 -2.948 -6.915 56 HB2 ASP 9 HB2 ASP 9 22.371 -0.541 -8.244 57 HB3 ASP 9 HB3 ASP 9 23.149 -1.220 -6.820 58 H CYS 10 H CYS 10 19.126 -0.471 -6.614 59 HA CYS 10 HA CYS 10 20.201 0.438 -4.055 60 HB2 CYS 10 HB2 CYS 10 19.717 2.227 -5.557 61 HB3 CYS 10 HB3 CYS 10 18.108 1.585 -5.879 62 H HIS 11 H HIS 11 18.994 0.313 -2.173 63 HA HIS 11 HA HIS 11 16.479 -1.212 -2.326 64 HB2 HIS 11 HB2 HIS 11 18.694 -1.445 -0.292 65 HB3 HIS 11 HB3 HIS 11 17.069 -2.051 0.008 66 HD2 HIS 11 HD2 HIS 11 19.710 -2.638 -2.882 67 HE1 HIS 11 HE1 HIS 11 17.770 -6.284 -1.932 68 HE2 HIS 11 HE2 HIS 11 19.607 -5.197 -3.263 69 H CYS 12 H CYS 12 15.164 0.578 -2.280 70 HA CYS 12 HA CYS 12 14.967 1.869 0.316 71 HB2 CYS 12 HB2 CYS 12 15.664 3.282 -2.193 72 HB3 CYS 12 HB3 CYS 12 14.537 4.076 -1.099 73 H LYS 13 H LYS 13 13.001 2.851 0.775 74 HA LYS 13 HA LYS 13 10.759 1.821 -0.738 75 HB2 LYS 13 HB2 LYS 13 9.417 2.510 1.221 76 HB3 LYS 13 HB3 LYS 13 10.741 1.459 1.699 77 HG2 LYS 13 HG2 LYS 13 12.000 3.348 2.527 78 HG3 LYS 13 HG3 LYS 13 10.783 4.466 1.919 79 HD2 LYS 13 HD2 LYS 13 9.134 3.426 3.458 80 HD3 LYS 13 HD3 LYS 13 10.432 2.424 4.110 81 HE2 LYS 13 HE2 LYS 13 11.642 4.426 4.801 82 HE3 LYS 13 HE3 LYS 13 10.375 5.439 4.119 83 HZ1 LYS 13 HZ1 LYS 13 10.003 3.513 6.346 84 HZ2 LYS 13 HZ2 LYS 13 8.822 4.535 5.705 85 HZ3 LYS 13 HZ3 LYS 13 10.152 5.187 6.516 86 H VAL 14 H VAL 14 9.927 3.077 -2.211 87 HA VAL 14 HA VAL 14 10.357 5.964 -2.042 88 HB VAL 14 HB VAL 14 9.218 4.451 -4.391 89 HG11 VAL 14 HG11 VAL 14 10.495 7.161 -4.152 90 HG12 VAL 14 HG12 VAL 14 8.780 6.831 -4.408 91 HG13 VAL 14 HG13 VAL 14 9.961 6.407 -5.652 92 HG21 VAL 14 HG21 VAL 14 11.504 4.612 -5.365 93 HG22 VAL 14 HG22 VAL 14 11.390 3.526 -3.977 94 HG23 VAL 14 HG23 VAL 14 12.084 5.135 -3.782 95 H ASP 15 H ASP 15 8.887 7.058 -1.084 96 HA ASP 15 HA ASP 15 6.235 6.133 -0.641 97 HB2 ASP 15 HB2 ASP 15 7.503 8.837 -0.231 98 HB3 ASP 15 HB3 ASP 15 5.906 8.373 0.354 99 HA PRO 16 HA PRO 16 4.420 7.661 -4.438 100 HB2 PRO 16 HB2 PRO 16 1.828 7.876 -3.530 101 HB3 PRO 16 HB3 PRO 16 2.555 6.363 -4.073 102 HG2 PRO 16 HG2 PRO 16 2.179 7.399 -1.298 103 HG3 PRO 16 HG3 PRO 16 1.963 5.752 -1.917 104 HD2 PRO 16 HD2 PRO 16 4.145 6.476 -0.528 105 HD3 PRO 16 HD3 PRO 16 4.241 5.307 -1.858 106 H GLU 17 H GLU 17 4.516 9.276 -1.454 107 HA GLU 17 HA GLU 17 3.315 11.705 -2.535 108 HB2 GLU 17 HB2 GLU 17 2.669 10.777 -0.273 109 HB3 GLU 17 HB3 GLU 17 4.277 11.208 0.281 110 HG2 GLU 17 HG2 GLU 17 3.850 13.522 -0.025 111 HG3 GLU 17 HG3 GLU 17 2.345 13.191 -0.884 112 H ARG 18 H ARG 18 6.376 10.285 -2.193 113 HA ARG 18 HA ARG 18 7.659 12.885 -2.657 114 HB2 ARG 18 HB2 ARG 18 8.657 10.834 -0.671 115 HB3 ARG 18 HB3 ARG 18 9.579 12.226 -1.206 116 HG2 ARG 18 HG2 ARG 18 7.731 13.666 -0.267 117 HG3 ARG 18 HG3 ARG 18 7.075 12.195 0.459 118 HD2 ARG 18 HD2 ARG 18 9.306 11.827 1.525 119 HD3 ARG 18 HD3 ARG 18 9.790 13.412 0.936 120 HE ARG 18 HE ARG 18 7.562 13.976 2.308 121 HH11 ARG 18 HH11 ARG 18 10.377 12.047 3.097 122 HH12 ARG 18 HH12 ARG 18 10.331 12.411 4.786 123 HH21 ARG 18 HH21 ARG 18 7.476 14.456 4.555 124 HH22 ARG 18 HH22 ARG 18 8.663 13.794 5.623 125 H VAL 19 H VAL 19 6.969 10.715 -4.439 126 HA VAL 19 HA VAL 19 9.410 9.306 -5.031 127 HB VAL 19 HB VAL 19 7.420 8.063 -5.553 128 HG11 VAL 19 HG11 VAL 19 5.876 9.964 -5.757 129 HG12 VAL 19 HG12 VAL 19 5.727 8.856 -7.122 130 HG13 VAL 19 HG13 VAL 19 6.601 10.375 -7.313 131 HG21 VAL 19 HG21 VAL 19 8.613 9.089 -8.123 132 HG22 VAL 19 HG22 VAL 19 7.678 7.607 -7.934 133 HG23 VAL 19 HG23 VAL 19 9.242 7.770 -7.136 134 H PHE 20 H PHE 20 11.042 9.971 -6.205 135 HA PHE 20 HA PHE 20 10.808 12.406 -7.743 136 HB2 PHE 20 HB2 PHE 20 13.077 10.675 -6.837 137 HB3 PHE 20 HB3 PHE 20 13.322 11.871 -8.107 138 HD1 PHE 20 HD1 PHE 20 12.398 11.404 -4.567 139 HD2 PHE 20 HD2 PHE 20 13.447 14.173 -7.620 140 HE1 PHE 20 HE1 PHE 20 12.691 13.161 -2.869 141 HE2 PHE 20 HE2 PHE 20 13.744 15.933 -5.933 142 HZ PHE 20 HZ PHE 20 13.366 15.429 -3.551 143 H ASN 21 H ASN 21 10.089 12.256 -9.733 144 HA ASN 21 HA ASN 21 10.392 9.770 -11.209 145 HB2 ASN 21 HB2 ASN 21 8.836 12.268 -11.859 146 HB3 ASN 21 HB3 ASN 21 8.923 10.861 -12.901 147 HD21 ASN 21 HD21 ASN 21 8.868 8.922 -10.802 148 HD22 ASN 21 HD22 ASN 21 7.265 8.925 -10.154 149 H HIS 22 H HIS 22 11.326 9.539 -13.152 150 HA HIS 22 HA HIS 22 12.684 11.781 -14.411 151 HB2 HIS 22 HB2 HIS 22 14.385 10.796 -12.901 152 HB3 HIS 22 HB3 HIS 22 14.112 9.228 -13.633 153 HD2 HIS 22 HD2 HIS 22 15.834 12.629 -14.555 154 HE1 HIS 22 HE1 HIS 22 17.028 9.679 -17.356 155 HE2 HIS 22 HE2 HIS 22 17.542 11.926 -16.370 156 H ASP 23 H ASP 23 11.904 11.723 -16.389 157 HA ASP 23 HA ASP 23 11.174 11.034 -18.428 158 HB2 ASP 23 HB2 ASP 23 13.511 10.024 -18.414 159 HB3 ASP 23 HB3 ASP 23 12.762 8.496 -17.965 160 H GLY 24 H GLY 24 9.775 10.196 -15.910 161 HA2 GLY 24 HA2 GLY 24 7.561 9.333 -15.857 162 HA3 GLY 24 HA3 GLY 24 7.973 8.274 -17.197 163 H GLU 25 H GLU 25 10.525 8.064 -15.165 164 HA GLU 25 HA GLU 25 9.495 5.593 -14.003 165 HB2 GLU 25 HB2 GLU 25 12.125 6.543 -14.860 166 HB3 GLU 25 HB3 GLU 25 12.151 5.697 -13.317 167 HG2 GLU 25 HG2 GLU 25 11.095 3.775 -14.324 168 HG3 GLU 25 HG3 GLU 25 10.973 4.621 -15.868 169 H ALA 26 H ALA 26 10.013 5.046 -11.814 170 HA ALA 26 HA ALA 26 9.837 7.391 -10.069 171 HB1 ALA 26 HB1 ALA 26 9.136 4.513 -9.529 172 HB2 ALA 26 HB2 ALA 26 7.998 5.793 -9.952 173 HB3 ALA 26 HB3 ALA 26 8.885 5.869 -8.428 174 H TYR 27 H TYR 27 11.306 7.750 -8.487 175 HA TYR 27 HA TYR 27 13.380 5.739 -7.986 176 HB2 TYR 27 HB2 TYR 27 13.866 8.596 -8.845 177 HB3 TYR 27 HB3 TYR 27 15.105 7.606 -8.079 178 HD1 TYR 27 HD1 TYR 27 13.261 8.306 -11.149 179 HD2 TYR 27 HD2 TYR 27 16.017 5.647 -9.288 180 HE1 TYR 27 HE1 TYR 27 13.876 7.399 -13.350 181 HE2 TYR 27 HE2 TYR 27 16.644 4.751 -11.491 182 HH TYR 27 HH TYR 27 15.560 4.569 -13.780 183 H CYS 28 H CYS 28 14.565 6.120 -5.957 184 HA CYS 28 HA CYS 28 12.771 6.949 -3.900 185 HB2 CYS 28 HB2 CYS 28 14.493 6.316 -2.336 186 HB3 CYS 28 HB3 CYS 28 14.470 5.124 -3.627 187 H SER 29 H SER 29 15.448 8.406 -5.525 188 HA SER 29 HA SER 29 14.737 10.969 -4.446 189 HB2 SER 29 HB2 SER 29 16.311 10.055 -2.739 190 HB3 SER 29 HB3 SER 29 17.513 9.848 -4.006 191 HG SER 29 HG SER 29 16.598 12.179 -2.781 192 H GLN 30 H GLN 30 15.921 12.675 -5.517 193 HA GLN 30 HA GLN 30 16.133 12.397 -8.286 194 HB2 GLN 30 HB2 GLN 30 15.818 14.501 -6.837 195 HB3 GLN 30 HB3 GLN 30 17.566 14.505 -6.679 196 HG2 GLN 30 HG2 GLN 30 17.863 14.890 -8.992 197 HG3 GLN 30 HG3 GLN 30 16.163 14.552 -9.332 198 HE21 GLN 30 HE21 GLN 30 17.746 16.940 -9.923 199 HE22 GLN 30 HE22 GLN 30 16.920 18.253 -9.160 200 H ALA 31 H ALA 31 18.402 11.778 -5.757 201 HA ALA 31 HA ALA 31 20.839 11.885 -7.127 202 HB1 ALA 31 HB1 ALA 31 20.052 9.983 -4.911 203 HB2 ALA 31 HB2 ALA 31 20.620 11.630 -4.662 204 HB3 ALA 31 HB3 ALA 31 21.695 10.423 -5.370 205 H CYS 32 H CYS 32 18.599 9.128 -6.674 206 HA CYS 32 HA CYS 32 20.084 7.441 -8.475 207 HB2 CYS 32 HB2 CYS 32 17.640 7.149 -6.813 208 HB3 CYS 32 HB3 CYS 32 17.753 6.130 -8.240 209 H ALA 33 H ALA 33 17.499 9.716 -8.723 210 HA ALA 33 HA ALA 33 16.156 8.794 -10.969 211 HB1 ALA 33 HB1 ALA 33 15.371 10.658 -9.575 212 HB2 ALA 33 HB2 ALA 33 15.400 11.085 -11.284 213 HB3 ALA 33 HB3 ALA 33 16.667 11.671 -10.211 214 H GLU 34 H GLU 34 19.112 10.739 -10.750 215 HA GLU 34 HA GLU 34 19.307 10.902 -13.627 216 HB2 GLU 34 HB2 GLU 34 21.295 11.720 -11.522 217 HB3 GLU 34 HB3 GLU 34 21.386 12.108 -13.235 218 HG2 GLU 34 HG2 GLU 34 19.038 13.148 -12.807 219 HG3 GLU 34 HG3 GLU 34 19.583 13.172 -11.135 220 H GLN 35 H GLN 35 19.722 8.385 -11.693 221 HA GLN 35 HA GLN 35 20.793 6.393 -11.822 222 HB2 GLN 35 HB2 GLN 35 21.574 7.298 -14.588 223 HB3 GLN 35 HB3 GLN 35 21.485 5.640 -14.005 224 HG2 GLN 35 HG2 GLN 35 19.105 5.793 -13.768 225 HG3 GLN 35 HG3 GLN 35 19.137 7.507 -14.167 226 HE21 GLN 35 HE21 GLN 35 19.396 4.283 -15.405 227 HE22 GLN 35 HE22 GLN 35 19.276 4.709 -17.073 228 H HIS 36 H HIS 36 22.211 8.480 -10.628 229 HA HIS 36 HA HIS 36 24.250 9.006 -9.781 230 HB2 HIS 36 HB2 HIS 36 25.152 6.351 -10.902 231 HB3 HIS 36 HB3 HIS 36 25.915 7.253 -9.595 232 HD1 HIS 36 HD1 HIS 36 24.493 7.375 -7.314 233 HD2 HIS 36 HD2 HIS 36 23.142 4.685 -10.177 234 HE1 HIS 36 HE1 HIS 36 22.939 5.821 -6.106 235 HA PRO 37 HA PRO 37 25.814 10.352 -13.877 236 HB2 PRO 37 HB2 PRO 37 25.623 13.006 -13.446 237 HB3 PRO 37 HB3 PRO 37 24.238 12.031 -13.952 238 HG2 PRO 37 HG2 PRO 37 24.932 13.083 -11.252 239 HG3 PRO 37 HG3 PRO 37 23.344 12.914 -12.017 240 HD2 PRO 37 HD2 PRO 37 24.400 11.158 -10.143 241 HD3 PRO 37 HD3 PRO 37 23.106 10.760 -11.287 242 H ASN 38 H ASN 38 26.607 11.550 -10.658 243 HA ASN 38 HA ASN 38 29.409 11.935 -11.512 244 HB2 ASN 38 HB2 ASN 38 27.764 13.243 -9.351 245 HB3 ASN 38 HB3 ASN 38 29.517 13.235 -9.264 246 HD21 ASN 38 HD21 ASN 38 27.927 13.415 -12.349 247 HD22 ASN 38 HD22 ASN 38 28.278 15.077 -12.660 248 H GLY 39 H GLY 39 27.861 9.482 -10.606 249 HA2 GLY 39 HA2 GLY 39 28.414 7.559 -9.455 250 HA3 GLY 39 HA3 GLY 39 29.905 8.345 -8.957 251 H GLU 40 H GLU 40 27.317 10.278 -8.233 252 HA GLU 40 HA GLU 40 27.663 10.004 -5.433 253 HB2 GLU 40 HB2 GLU 40 27.115 12.122 -6.655 254 HB3 GLU 40 HB3 GLU 40 25.512 11.480 -6.952 255 HG2 GLU 40 HG2 GLU 40 25.019 11.499 -4.593 256 HG3 GLU 40 HG3 GLU 40 26.667 12.009 -4.223 257 HA PRO 41 HA PRO 41 24.661 6.641 -5.017 258 HB2 PRO 41 HB2 PRO 41 24.879 6.442 -2.307 259 HB3 PRO 41 HB3 PRO 41 26.072 5.755 -3.416 260 HG2 PRO 41 HG2 PRO 41 26.164 8.344 -1.907 261 HG3 PRO 41 HG3 PRO 41 27.441 7.135 -2.123 262 HD2 PRO 41 HD2 PRO 41 27.358 9.397 -3.574 263 HD3 PRO 41 HD3 PRO 41 27.944 7.866 -4.261 264 H CYS 42 H CYS 42 22.633 6.333 -3.574 265 HA CYS 42 HA CYS 42 21.141 8.769 -3.623 266 HB2 CYS 42 HB2 CYS 42 19.269 7.500 -2.816 267 HB3 CYS 42 HB3 CYS 42 20.081 6.544 -4.057 268 HA PRO 43 HA PRO 43 21.817 10.279 0.421 269 HB2 PRO 43 HB2 PRO 43 19.036 11.011 0.859 270 HB3 PRO 43 HB3 PRO 43 20.423 12.021 0.452 271 HG2 PRO 43 HG2 PRO 43 18.367 11.551 -1.260 272 HG3 PRO 43 HG3 PRO 43 20.012 11.975 -1.760 273 HD2 PRO 43 HD2 PRO 43 18.673 9.320 -1.676 274 HD3 PRO 43 HD3 PRO 43 19.788 9.991 -2.883 275 H ALA 44 H ALA 44 21.247 7.429 0.431 276 HA ALA 44 HA ALA 44 19.946 7.160 3.065 277 HB1 ALA 44 HB1 ALA 44 20.371 5.073 0.915 278 HB2 ALA 44 HB2 ALA 44 18.836 5.839 1.330 279 HB3 ALA 44 HB3 ALA 44 19.636 4.780 2.492 280 HA PRO 45 HA PRO 45 24.113 6.521 4.353 281 HB2 PRO 45 HB2 PRO 45 23.713 5.982 6.957 282 HB3 PRO 45 HB3 PRO 45 23.436 7.590 6.278 283 HG2 PRO 45 HG2 PRO 45 21.461 5.458 6.959 284 HG3 PRO 45 HG3 PRO 45 21.345 7.209 7.198 285 HD2 PRO 45 HD2 PRO 45 20.163 5.841 5.109 286 HD3 PRO 45 HD3 PRO 45 20.583 7.565 5.067 287 H ASP 46 H ASP 46 21.762 3.994 4.654 288 HA ASP 46 HA ASP 46 23.877 2.051 5.271 289 HB2 ASP 46 HB2 ASP 46 20.882 1.915 5.430 290 HB3 ASP 46 HB3 ASP 46 21.856 0.449 5.422 291 H CYS 47 H CYS 47 22.348 3.339 2.657 292 HA CYS 47 HA CYS 47 22.379 0.893 1.110 293 HB2 CYS 47 HB2 CYS 47 20.568 2.677 0.970 294 HB3 CYS 47 HB3 CYS 47 21.763 3.653 0.115 295 H HIS 48 H HIS 48 23.779 0.527 -0.618 296 HA HIS 48 HA HIS 48 25.935 2.486 -0.989 297 HB2 HIS 48 HB2 HIS 48 26.343 -0.480 -0.523 298 HB3 HIS 48 HB3 HIS 48 27.597 0.613 -1.089 299 HD1 HIS 48 HD1 HIS 48 28.912 1.836 0.681 300 HD2 HIS 48 HD2 HIS 48 25.451 0.094 2.183 301 HE1 HIS 48 HE1 HIS 48 29.030 2.121 3.171 302 HE2 HIS 48 HE2 HIS 48 27.070 0.831 4.051 303 H CYS 49 H CYS 49 24.327 2.785 -2.853 304 HA CYS 49 HA CYS 49 25.116 0.982 -5.026 305 HB2 CYS 49 HB2 CYS 49 23.068 1.722 -6.195 306 HB3 CYS 49 HB3 CYS 49 22.716 0.945 -4.660 307 H GLU 50 H GLU 50 26.288 1.803 -6.635 308 HA GLU 50 HA GLU 50 26.194 4.508 -7.479 309 HB2 GLU 50 HB2 GLU 50 28.536 5.119 -6.824 310 HB3 GLU 50 HB3 GLU 50 27.415 5.007 -5.476 311 HG2 GLU 50 HG2 GLU 50 28.323 2.583 -5.264 312 HG3 GLU 50 HG3 GLU 50 29.671 3.203 -6.215 313 H ARG 51 H ARG 51 28.013 1.502 -7.348 314 HA ARG 51 HA ARG 51 29.096 1.946 -10.022 315 HB2 ARG 51 HB2 ARG 51 30.307 -0.189 -9.616 316 HB3 ARG 51 HB3 ARG 51 30.643 1.041 -8.407 317 HG2 ARG 51 HG2 ARG 51 29.266 -0.047 -6.800 318 HG3 ARG 51 HG3 ARG 51 28.631 -1.159 -8.014 319 HD2 ARG 51 HD2 ARG 51 30.746 -2.235 -8.238 320 HD3 ARG 51 HD3 ARG 51 31.538 -1.009 -7.250 321 HE ARG 51 HE ARG 51 29.534 -2.156 -5.699 322 HH11 ARG 51 HH11 ARG 51 32.487 -3.198 -7.268 323 HH12 ARG 51 HH12 ARG 51 32.886 -4.357 -6.047 324 HH21 ARG 51 HH21 ARG 51 30.061 -3.705 -4.073 325 HH22 ARG 51 HH22 ARG 51 31.500 -4.649 -4.230 326 H SER 52 H SER 52 26.324 1.724 -9.909 327 HA SER 52 HA SER 52 25.457 -0.936 -10.439 328 HB2 SER 52 HB2 SER 52 23.969 0.874 -9.548 329 HB3 SER 52 HB3 SER 52 24.055 1.661 -11.124 330 HG SER 52 HG SER 52 23.040 -0.951 -10.586 331 H GLY 53 H GLY 53 25.410 -2.017 -12.306 332 HA2 GLY 53 HA2 GLY 53 25.569 -2.486 -14.539 333 HA3 GLY 53 HA3 GLY 53 25.208 -0.797 -14.854 334 H LYS 54 H LYS 54 26.677 -0.123 -16.245 335 HA LYS 54 HA LYS 54 29.509 -0.653 -15.650 336 HB2 LYS 54 HB2 LYS 54 28.117 -0.471 -18.328 337 HB3 LYS 54 HB3 LYS 54 29.864 -0.450 -18.139 338 HG2 LYS 54 HG2 LYS 54 29.874 -2.680 -17.278 339 HG3 LYS 54 HG3 LYS 54 28.114 -2.703 -17.174 340 HD2 LYS 54 HD2 LYS 54 28.923 -3.959 -19.119 341 HD3 LYS 54 HD3 LYS 54 27.953 -2.571 -19.605 342 HE2 LYS 54 HE2 LYS 54 30.076 -1.311 -19.963 343 HE3 LYS 54 HE3 LYS 54 30.957 -2.802 -19.633 344 HZ1 LYS 54 HZ1 LYS 54 28.976 -2.423 -21.804 345 HZ2 LYS 54 HZ2 LYS 54 29.879 -3.828 -21.519 346 HZ3 LYS 54 HZ3 LYS 54 30.654 -2.404 -22.000 347 H VAL 55 H VAL 55 28.049 1.512 -14.617 348 HA VAL 55 HA VAL 55 28.461 3.865 -16.178 349 HB VAL 55 HB VAL 55 27.995 3.585 -13.200 350 HG11 VAL 55 HG11 VAL 55 27.747 6.009 -14.991 351 HG12 VAL 55 HG12 VAL 55 28.982 5.752 -13.758 352 HG13 VAL 55 HG13 VAL 55 27.294 5.944 -13.287 353 HG21 VAL 55 HG21 VAL 55 26.054 4.154 -15.437 354 HG22 VAL 55 HG22 VAL 55 25.665 4.138 -13.718 355 HG23 VAL 55 HG23 VAL 55 26.170 2.651 -14.523 356 H GLY 56 H GLY 56 30.481 4.381 -16.738 357 HA2 GLY 56 HA2 GLY 56 32.543 4.365 -14.631 358 HA3 GLY 56 HA3 GLY 56 32.880 4.121 -16.339 359 H GLY 57 H GLY 57 32.569 6.382 -13.833 360 HA2 GLY 57 HA2 GLY 57 33.390 8.571 -13.894 361 HA3 GLY 57 HA3 GLY 57 33.345 8.512 -15.651 362 H ARG 58 H ARG 58 31.275 8.697 -16.696 363 HA ARG 58 HA ARG 58 29.087 9.752 -15.097 364 HB2 ARG 58 HB2 ARG 58 28.847 11.767 -16.423 365 HB3 ARG 58 HB3 ARG 58 30.441 11.733 -15.689 366 HG2 ARG 58 HG2 ARG 58 31.426 11.048 -17.801 367 HG3 ARG 58 HG3 ARG 58 29.827 10.991 -18.545 368 HD2 ARG 58 HD2 ARG 58 31.165 13.433 -17.394 369 HD3 ARG 58 HD3 ARG 58 30.997 13.061 -19.112 370 HE ARG 58 HE ARG 58 28.534 13.231 -17.562 371 HH11 ARG 58 HH11 ARG 58 30.730 14.790 -19.806 372 HH12 ARG 58 HH12 ARG 58 29.609 16.033 -20.239 373 HH21 ARG 58 HH21 ARG 58 27.041 14.874 -18.142 374 HH22 ARG 58 HH22 ARG 58 27.497 16.073 -19.306 375 H ASP 59 H ASP 59 27.246 10.366 -16.799 376 HA ASP 59 HA ASP 59 27.146 8.161 -18.756 377 HB2 ASP 59 HB2 ASP 59 25.533 8.133 -16.705 378 HB3 ASP 59 HB3 ASP 59 24.699 9.443 -17.532 379 H ILE 60 H ILE 60 25.425 8.737 -20.514 380 HA ILE 60 HA ILE 60 26.260 11.274 -21.624 381 HB ILE 60 HB ILE 60 24.375 9.209 -22.795 382 HG12 ILE 60 HG12 ILE 60 26.611 8.268 -22.390 383 HG13 ILE 60 HG13 ILE 60 26.291 8.437 -24.110 384 HG21 ILE 60 HG21 ILE 60 24.847 10.301 -24.936 385 HG22 ILE 60 HG22 ILE 60 25.840 11.497 -24.105 386 HG23 ILE 60 HG23 ILE 60 24.107 11.420 -23.790 387 HD11 ILE 60 HD11 ILE 60 27.987 10.268 -22.424 388 HD12 ILE 60 HD12 ILE 60 27.651 10.477 -24.144 389 HD13 ILE 60 HD13 ILE 60 28.564 9.074 -23.587 390 H THR 61 H THR 61 25.250 12.644 -20.106 391 HA THR 61 HA THR 61 22.329 12.668 -20.098 392 HB THR 61 HB THR 61 24.175 14.389 -18.434 393 HG1 THR 61 HG1 THR 61 22.991 11.892 -17.682 394 HG21 THR 61 HG21 THR 61 21.835 15.122 -18.556 395 HG22 THR 61 HG22 THR 61 22.224 14.523 -16.944 396 HG23 THR 61 HG23 THR 61 21.303 13.515 -18.060 397 H ASN 62 H ASN 62 21.801 13.608 -22.044 398 HA ASN 62 HA ASN 62 22.416 16.458 -22.284 399 HB2 ASN 62 HB2 ASN 62 22.711 14.430 -24.515 400 HB3 ASN 62 HB3 ASN 62 22.676 16.169 -24.770 401 HD21 ASN 62 HD21 ASN 62 24.446 17.407 -24.150 402 HD22 ASN 62 HD22 ASN 62 25.979 16.695 -23.773 403 H ASN 63 H ASN 63 20.579 17.543 -22.465 404 HA ASN 63 HA ASN 63 18.127 16.084 -23.060 405 HB2 ASN 63 HB2 ASN 63 18.652 18.850 -21.971 406 HB3 ASN 63 HB3 ASN 63 17.043 18.293 -22.399 407 HD21 ASN 63 HD21 ASN 63 17.519 15.568 -21.482 408 HD22 ASN 63 HD22 ASN 63 17.522 15.631 -19.757 409 H GLN 64 H GLN 64 16.793 16.468 -24.757 410 HA GLN 64 HA GLN 64 17.863 17.910 -27.021 411 HB2 GLN 64 HB2 GLN 64 15.265 16.422 -26.594 412 HB3 GLN 64 HB3 GLN 64 15.698 17.205 -28.105 413 HG2 GLN 64 HG2 GLN 64 17.305 15.019 -26.806 414 HG3 GLN 64 HG3 GLN 64 16.100 14.760 -28.067 415 HE21 GLN 64 HE21 GLN 64 19.245 16.036 -27.326 416 HE22 GLN 64 HE22 GLN 64 19.785 16.195 -28.960 417 H LEU 65 H LEU 65 15.834 18.448 -24.371 418 HA LEU 65 HA LEU 65 14.817 20.278 -23.529 419 HB2 LEU 65 HB2 LEU 65 16.223 21.712 -25.774 420 HB3 LEU 65 HB3 LEU 65 15.424 22.494 -24.425 421 HG LEU 65 HG LEU 65 17.779 20.627 -24.143 422 HD11 LEU 65 HD11 LEU 65 18.435 22.620 -25.357 423 HD12 LEU 65 HD12 LEU 65 19.081 22.661 -23.717 424 HD13 LEU 65 HD13 LEU 65 17.675 23.640 -24.135 425 HD21 LEU 65 HD21 LEU 65 17.901 21.560 -21.882 426 HD22 LEU 65 HD22 LEU 65 16.370 20.735 -22.165 427 HD23 LEU 65 HD23 LEU 65 16.441 22.498 -22.192 428 H ASP 66 H ASP 66 13.564 22.424 -24.491 429 HA ASP 66 HA ASP 66 11.568 21.302 -26.333 430 HB2 ASP 66 HB2 ASP 66 10.633 21.498 -24.099 431 HB3 ASP 66 HB3 ASP 66 11.172 23.169 -23.981 432 H GLU 67 H GLU 67 10.977 22.512 -28.037 433 HA GLU 67 HA GLU 67 11.925 25.277 -28.162 434 HB2 GLU 67 HB2 GLU 67 12.131 23.196 -30.343 435 HB3 GLU 67 HB3 GLU 67 12.405 24.915 -30.590 436 HG2 GLU 67 HG2 GLU 67 14.211 24.793 -28.877 437 HG3 GLU 67 HG3 GLU 67 13.999 23.046 -28.860 438 H ALA 68 H ALA 68 9.403 24.544 -27.350 439 HA ALA 68 HA ALA 68 7.652 24.936 -29.645 440 HB1 ALA 68 HB1 ALA 68 5.830 24.538 -28.059 441 HB2 ALA 68 HB2 ALA 68 6.990 24.484 -26.733 442 HB3 ALA 68 HB3 ALA 68 7.020 23.240 -27.983 443 H LEU 69 H LEU 69 9.219 27.010 -29.423 444 HA LEU 69 HA LEU 69 9.256 29.251 -29.394 445 HB2 LEU 69 HB2 LEU 69 6.376 29.025 -28.524 446 HB3 LEU 69 HB3 LEU 69 7.166 30.515 -29.006 447 HG LEU 69 HG LEU 69 6.862 28.127 -30.818 448 HD11 LEU 69 HD11 LEU 69 4.660 28.950 -30.242 449 HD12 LEU 69 HD12 LEU 69 5.056 29.411 -31.898 450 HD13 LEU 69 HD13 LEU 69 5.154 30.602 -30.603 451 HD21 LEU 69 HD21 LEU 69 7.568 31.010 -31.372 452 HD22 LEU 69 HD22 LEU 69 7.381 29.741 -32.583 453 HD23 LEU 69 HD23 LEU 69 8.684 29.646 -31.401 454 H GLU 70 H GLU 70 8.621 31.184 -27.797 455 HA GLU 70 HA GLU 70 9.266 30.327 -25.055 456 HB2 GLU 70 HB2 GLU 70 10.850 32.293 -24.978 457 HB3 GLU 70 HB3 GLU 70 11.370 30.966 -26.008 458 HG2 GLU 70 HG2 GLU 70 10.717 32.163 -27.987 459 HG3 GLU 70 HG3 GLU 70 9.976 33.437 -27.024 460 H GLU 71 H GLU 71 6.741 31.111 -26.161 461 HA GLU 71 HA GLU 71 5.030 32.591 -26.056 462 HB2 GLU 71 HB2 GLU 71 6.480 33.248 -23.496 463 HB3 GLU 71 HB3 GLU 71 5.020 34.105 -23.960 464 HG2 GLU 71 HG2 GLU 71 3.849 31.901 -24.047 465 HG3 GLU 71 HG3 GLU 71 5.308 31.168 -23.379 466 H THR 72 H THR 72 5.704 33.621 -27.958 467 HA THR 72 HA THR 72 7.499 35.792 -27.977 468 HB THR 72 HB THR 72 6.426 36.329 -30.195 469 HG1 THR 72 HG1 THR 72 4.353 35.334 -29.431 470 HG21 THR 72 HG21 THR 72 7.215 34.280 -31.306 471 HG22 THR 72 HG22 THR 72 7.237 33.448 -29.753 472 HG23 THR 72 HG23 THR 72 8.337 34.795 -30.046 473 H PHE 73 H PHE 73 7.202 37.785 -27.233 474 HA PHE 73 HA PHE 73 4.537 38.587 -26.410 475 HB2 PHE 73 HB2 PHE 73 7.263 39.764 -25.913 476 HB3 PHE 73 HB3 PHE 73 5.778 40.577 -25.433 477 HD1 PHE 73 HD1 PHE 73 8.056 37.822 -24.743 478 HD2 PHE 73 HD2 PHE 73 4.372 39.659 -23.669 479 HE1 PHE 73 HE1 PHE 73 8.025 36.529 -22.650 480 HE2 PHE 73 HE2 PHE 73 4.335 38.372 -21.574 481 HZ PHE 73 HZ PHE 73 6.165 36.804 -21.062 482 HA PRO 74 HA PRO 74 4.422 41.120 -30.113 483 HB2 PRO 74 HB2 PRO 74 1.866 40.675 -30.702 484 HB3 PRO 74 HB3 PRO 74 3.075 39.410 -30.948 485 HG2 PRO 74 HG2 PRO 74 0.986 39.638 -28.852 486 HG3 PRO 74 HG3 PRO 74 1.734 38.189 -29.542 487 HD2 PRO 74 HD2 PRO 74 2.409 39.513 -27.087 488 HD3 PRO 74 HD3 PRO 74 3.199 38.099 -27.815 489 H ALA 75 H ALA 75 2.379 42.699 -30.722 490 HA ALA 75 HA ALA 75 2.302 44.594 -28.584 491 HB1 ALA 75 HB1 ALA 75 0.893 44.664 -31.252 492 HB2 ALA 75 HB2 ALA 75 2.505 45.302 -30.932 493 HB3 ALA 75 HB3 ALA 75 1.101 46.021 -30.145 494 H SER 76 H SER 76 -0.018 42.516 -30.242 495 HA SER 76 HA SER 76 -2.088 43.237 -28.327 496 HB2 SER 76 HB2 SER 76 -2.241 41.384 -30.713 497 HB3 SER 76 HB3 SER 76 -3.599 42.029 -29.790 498 HG SER 76 HG SER 76 -2.724 43.088 -31.898 499 H ASP 77 H ASP 77 -1.512 42.260 -26.434 500 HA ASP 77 HA ASP 77 -0.613 39.527 -26.348 501 HB2 ASP 77 HB2 ASP 77 -0.433 39.842 -23.952 502 HB3 ASP 77 HB3 ASP 77 0.224 41.260 -24.760 503 HA PRO 78 HA PRO 78 -4.589 37.599 -25.871 504 HB2 PRO 78 HB2 PRO 78 -3.803 35.320 -24.613 505 HB3 PRO 78 HB3 PRO 78 -3.518 35.606 -26.335 506 HG2 PRO 78 HG2 PRO 78 -1.644 35.945 -24.027 507 HG3 PRO 78 HG3 PRO 78 -1.339 35.222 -25.617 508 HD2 PRO 78 HD2 PRO 78 -0.582 37.743 -25.009 509 HD3 PRO 78 HD3 PRO 78 -1.091 37.273 -26.644 510 H ILE 79 H ILE 79 -5.796 36.372 -24.006 511 HA ILE 79 HA ILE 79 -6.038 38.238 -21.890 512 HB ILE 79 HB ILE 79 -7.695 36.625 -20.923 513 HG12 ILE 79 HG12 ILE 79 -7.056 35.014 -23.412 514 HG13 ILE 79 HG13 ILE 79 -6.656 34.543 -21.764 515 HG21 ILE 79 HG21 ILE 79 -8.390 38.380 -22.448 516 HG22 ILE 79 HG22 ILE 79 -9.341 36.920 -22.723 517 HG23 ILE 79 HG23 ILE 79 -8.036 37.345 -23.832 518 HD11 ILE 79 HD11 ILE 79 -9.035 34.428 -21.223 519 HD12 ILE 79 HD12 ILE 79 -8.618 33.365 -22.568 520 HD13 ILE 79 HD13 ILE 79 -9.431 34.900 -22.875 521 H SER 80 H SER 80 -4.945 38.413 -20.113 522 HA SER 80 HA SER 80 -3.247 36.240 -19.234 523 HB2 SER 80 HB2 SER 80 -2.425 38.051 -17.615 524 HB3 SER 80 HB3 SER 80 -2.128 38.318 -19.334 525 HG SER 80 HG SER 80 -3.242 40.006 -17.768 526 HA PRO 81 HA PRO 81 -6.052 34.841 -16.085 527 HB2 PRO 81 HB2 PRO 81 -3.644 34.307 -14.438 528 HB3 PRO 81 HB3 PRO 81 -4.902 33.191 -14.979 529 HG2 PRO 81 HG2 PRO 81 -2.465 33.144 -16.066 530 HG3 PRO 81 HG3 PRO 81 -3.916 32.870 -17.048 531 HD2 PRO 81 HD2 PRO 81 -2.223 35.326 -16.808 532 HD3 PRO 81 HD3 PRO 81 -2.976 34.605 -18.247 Start of MODEL 2 1 HA ASN 1 HA ASN 1 5.059 -6.232 -5.640 2 HB2 ASN 1 HB2 ASN 1 4.393 -6.457 -8.041 3 HB3 ASN 1 HB3 ASN 1 4.653 -4.729 -8.241 4 HD21 ASN 1 HD21 ASN 1 6.269 -5.016 -9.774 5 HD22 ASN 1 HD22 ASN 1 7.834 -5.618 -9.364 6 H GLU 2 H GLU 2 6.782 -5.198 -4.810 7 HA GLU 2 HA GLU 2 6.558 -2.393 -4.207 8 HB2 GLU 2 HB2 GLU 2 7.470 -4.001 -2.573 9 HB3 GLU 2 HB3 GLU 2 8.789 -4.365 -3.672 10 HG2 GLU 2 HG2 GLU 2 9.506 -2.001 -3.506 11 HG3 GLU 2 HG3 GLU 2 8.256 -1.755 -2.286 12 H LEU 3 H LEU 3 7.863 -0.729 -5.040 13 HA LEU 3 HA LEU 3 9.025 -1.373 -7.612 14 HB2 LEU 3 HB2 LEU 3 8.139 1.140 -6.281 15 HB3 LEU 3 HB3 LEU 3 9.358 1.250 -7.533 16 HG LEU 3 HG LEU 3 7.088 1.674 -8.391 17 HD11 LEU 3 HD11 LEU 3 8.814 0.753 -9.865 18 HD12 LEU 3 HD12 LEU 3 7.200 0.210 -10.314 19 HD13 LEU 3 HD13 LEU 3 8.287 -0.879 -9.454 20 HD21 LEU 3 HD21 LEU 3 6.571 -1.202 -7.680 21 HD22 LEU 3 HD22 LEU 3 5.470 -0.126 -8.545 22 HD23 LEU 3 HD23 LEU 3 5.875 0.192 -6.857 23 H ARG 4 H ARG 4 11.079 -0.764 -8.203 24 HA ARG 4 HA ARG 4 12.941 -0.601 -5.927 25 HB2 ARG 4 HB2 ARG 4 13.001 -2.276 -8.354 26 HB3 ARG 4 HB3 ARG 4 14.530 -1.543 -7.898 27 HG2 ARG 4 HG2 ARG 4 14.125 -2.511 -5.584 28 HG3 ARG 4 HG3 ARG 4 12.849 -3.472 -6.342 29 HD2 ARG 4 HD2 ARG 4 14.487 -4.351 -7.940 30 HD3 ARG 4 HD3 ARG 4 15.751 -3.418 -7.149 31 HE ARG 4 HE ARG 4 15.142 -4.799 -5.114 32 HH11 ARG 4 HH11 ARG 4 14.726 -5.986 -8.398 33 HH12 ARG 4 HH12 ARG 4 15.047 -7.634 -7.978 34 HH21 ARG 4 HH21 ARG 4 15.581 -7.021 -4.564 35 HH22 ARG 4 HH22 ARG 4 15.530 -8.217 -5.812 36 H CYS 5 H CYS 5 14.857 0.558 -6.221 37 HA CYS 5 HA CYS 5 14.453 2.869 -7.880 38 HB2 CYS 5 HB2 CYS 5 15.179 3.176 -5.584 39 HB3 CYS 5 HB3 CYS 5 16.616 2.211 -5.890 40 H GLY 6 H GLY 6 15.583 3.397 -9.656 41 HA2 GLY 6 HA2 GLY 6 16.967 1.350 -11.046 42 HA3 GLY 6 HA3 GLY 6 16.777 3.013 -11.568 43 H CYS 7 H CYS 7 18.137 3.610 -8.741 44 HA CYS 7 HA CYS 7 20.797 3.658 -9.874 45 HB2 CYS 7 HB2 CYS 7 20.091 5.642 -8.657 46 HB3 CYS 7 HB3 CYS 7 19.762 4.689 -7.219 47 HA PRO 8 HA PRO 8 21.575 -0.361 -8.097 48 HB2 PRO 8 HB2 PRO 8 24.111 -0.572 -9.048 49 HB3 PRO 8 HB3 PRO 8 22.670 -0.885 -10.023 50 HG2 PRO 8 HG2 PRO 8 24.391 1.557 -9.901 51 HG3 PRO 8 HG3 PRO 8 23.672 0.765 -11.315 52 HD2 PRO 8 HD2 PRO 8 22.623 2.989 -10.202 53 HD3 PRO 8 HD3 PRO 8 21.616 1.746 -10.974 54 H ASP 9 H ASP 9 23.333 2.546 -7.491 55 HA ASP 9 HA ASP 9 24.908 1.281 -5.362 56 HB2 ASP 9 HB2 ASP 9 25.991 2.882 -6.987 57 HB3 ASP 9 HB3 ASP 9 24.996 4.159 -6.299 58 H CYS 10 H CYS 10 21.950 2.621 -5.744 59 HA CYS 10 HA CYS 10 21.899 4.042 -3.204 60 HB2 CYS 10 HB2 CYS 10 20.839 5.152 -5.054 61 HB3 CYS 10 HB3 CYS 10 19.857 3.730 -5.394 62 H HIS 11 H HIS 11 20.659 3.434 -1.466 63 HA HIS 11 HA HIS 11 19.368 0.790 -1.636 64 HB2 HIS 11 HB2 HIS 11 20.876 1.938 0.720 65 HB3 HIS 11 HB3 HIS 11 19.934 0.455 0.764 66 HD2 HIS 11 HD2 HIS 11 23.005 1.740 -1.340 67 HE1 HIS 11 HE1 HIS 11 23.451 -2.406 -0.573 68 HE2 HIS 11 HE2 HIS 11 24.408 -0.393 -1.744 69 H CYS 12 H CYS 12 17.351 1.606 -1.996 70 HA CYS 12 HA CYS 12 16.092 2.794 0.355 71 HB2 CYS 12 HB2 CYS 12 16.300 4.090 -2.302 72 HB3 CYS 12 HB3 CYS 12 14.757 4.218 -1.466 73 H LYS 13 H LYS 13 13.696 2.898 0.130 74 HA LYS 13 HA LYS 13 12.728 0.523 -1.258 75 HB2 LYS 13 HB2 LYS 13 10.901 0.507 0.419 76 HB3 LYS 13 HB3 LYS 13 12.483 0.339 1.162 77 HG2 LYS 13 HG2 LYS 13 12.442 2.619 1.909 78 HG3 LYS 13 HG3 LYS 13 10.958 2.932 1.006 79 HD2 LYS 13 HD2 LYS 13 9.841 1.189 2.411 80 HD3 LYS 13 HD3 LYS 13 11.307 1.122 3.390 81 HE2 LYS 13 HE2 LYS 13 11.060 3.439 3.999 82 HE3 LYS 13 HE3 LYS 13 9.693 3.619 2.900 83 HZ1 LYS 13 HZ1 LYS 13 8.970 3.362 5.179 84 HZ2 LYS 13 HZ2 LYS 13 9.761 1.872 5.296 85 HZ3 LYS 13 HZ3 LYS 13 8.451 2.052 4.243 86 H VAL 14 H VAL 14 11.583 0.972 -2.984 87 HA VAL 14 HA VAL 14 10.429 3.646 -3.227 88 HB VAL 14 HB VAL 14 10.703 1.596 -5.426 89 HG11 VAL 14 HG11 VAL 14 9.079 3.332 -5.877 90 HG12 VAL 14 HG12 VAL 14 10.512 3.547 -6.889 91 HG13 VAL 14 HG13 VAL 14 10.269 4.572 -5.475 92 HG21 VAL 14 HG21 VAL 14 12.919 2.073 -4.599 93 HG22 VAL 14 HG22 VAL 14 12.592 3.804 -4.628 94 HG23 VAL 14 HG23 VAL 14 12.696 2.905 -6.142 95 H ASP 15 H ASP 15 8.467 3.865 -2.638 96 HA ASP 15 HA ASP 15 6.578 1.712 -2.453 97 HB2 ASP 15 HB2 ASP 15 6.366 4.678 -1.942 98 HB3 ASP 15 HB3 ASP 15 5.038 3.554 -1.692 99 HA PRO 16 HA PRO 16 4.955 1.948 -6.582 100 HB2 PRO 16 HB2 PRO 16 2.404 1.347 -5.147 101 HB3 PRO 16 HB3 PRO 16 3.098 0.574 -6.578 102 HG2 PRO 16 HG2 PRO 16 3.250 -0.631 -4.219 103 HG3 PRO 16 HG3 PRO 16 4.629 -0.662 -5.331 104 HD2 PRO 16 HD2 PRO 16 4.230 0.935 -2.846 105 HD3 PRO 16 HD3 PRO 16 5.715 0.220 -3.509 106 H GLU 17 H GLU 17 3.184 3.563 -3.939 107 HA GLU 17 HA GLU 17 1.706 5.220 -5.761 108 HB2 GLU 17 HB2 GLU 17 1.980 5.277 -2.765 109 HB3 GLU 17 HB3 GLU 17 1.079 6.503 -3.641 110 HG2 GLU 17 HG2 GLU 17 -0.317 4.642 -4.597 111 HG3 GLU 17 HG3 GLU 17 0.494 3.558 -3.468 112 H ARG 18 H ARG 18 4.873 5.446 -4.491 113 HA ARG 18 HA ARG 18 4.956 8.273 -5.302 114 HB2 ARG 18 HB2 ARG 18 6.259 7.101 -2.849 115 HB3 ARG 18 HB3 ARG 18 6.599 8.704 -3.478 116 HG2 ARG 18 HG2 ARG 18 4.235 9.310 -3.129 117 HG3 ARG 18 HG3 ARG 18 3.960 7.717 -2.417 118 HD2 ARG 18 HD2 ARG 18 5.733 8.230 -0.755 119 HD3 ARG 18 HD3 ARG 18 5.821 9.860 -1.415 120 HE ARG 18 HE ARG 18 3.351 9.926 -0.796 121 HH11 ARG 18 HH11 ARG 18 5.771 8.107 0.992 122 HH12 ARG 18 HH12 ARG 18 4.963 8.288 2.509 123 HH21 ARG 18 HH21 ARG 18 2.280 10.153 1.206 124 HH22 ARG 18 HH22 ARG 18 2.958 9.444 2.630 125 H VAL 19 H VAL 19 5.720 5.870 -6.734 126 HA VAL 19 HA VAL 19 8.596 5.854 -6.754 127 HB VAL 19 HB VAL 19 7.608 3.742 -7.386 128 HG11 VAL 19 HG11 VAL 19 6.113 3.487 -9.295 129 HG12 VAL 19 HG12 VAL 19 6.123 5.232 -9.545 130 HG13 VAL 19 HG13 VAL 19 5.412 4.554 -8.078 131 HG21 VAL 19 HG21 VAL 19 8.520 3.350 -9.593 132 HG22 VAL 19 HG22 VAL 19 9.612 4.336 -8.618 133 HG23 VAL 19 HG23 VAL 19 8.627 5.088 -9.874 134 H PHE 20 H PHE 20 9.866 7.236 -7.780 135 HA PHE 20 HA PHE 20 8.709 9.073 -9.691 136 HB2 PHE 20 HB2 PHE 20 11.304 8.913 -8.203 137 HB3 PHE 20 HB3 PHE 20 11.153 9.963 -9.610 138 HD1 PHE 20 HD1 PHE 20 9.863 9.303 -6.217 139 HD2 PHE 20 HD2 PHE 20 10.004 12.007 -9.493 140 HE1 PHE 20 HE1 PHE 20 8.848 11.051 -4.812 141 HE2 PHE 20 HE2 PHE 20 8.991 13.760 -8.099 142 HZ PHE 20 HZ PHE 20 8.412 13.283 -5.752 143 H ASN 21 H ASN 21 8.538 8.356 -11.678 144 HA ASN 21 HA ASN 21 10.455 6.383 -12.594 145 HB2 ASN 21 HB2 ASN 21 7.954 7.323 -13.993 146 HB3 ASN 21 HB3 ASN 21 8.926 5.909 -14.389 147 HD21 ASN 21 HD21 ASN 21 8.993 4.181 -12.818 148 HD22 ASN 21 HD22 ASN 21 7.638 3.938 -11.776 149 H HIS 22 H HIS 22 11.533 6.506 -14.519 150 HA HIS 22 HA HIS 22 11.652 9.071 -15.914 151 HB2 HIS 22 HB2 HIS 22 13.437 9.138 -14.193 152 HB3 HIS 22 HB3 HIS 22 14.072 7.626 -14.812 153 HD2 HIS 22 HD2 HIS 22 13.902 11.391 -15.884 154 HE1 HIS 22 HE1 HIS 22 16.831 9.412 -18.222 155 HE2 HIS 22 HE2 HIS 22 15.999 11.626 -17.366 156 H ASP 23 H ASP 23 11.060 8.433 -17.896 157 HA ASP 23 HA ASP 23 11.034 7.388 -19.916 158 HB2 ASP 23 HB2 ASP 23 13.551 7.815 -19.681 159 HB3 ASP 23 HB3 ASP 23 13.693 6.133 -19.189 160 H GLY 24 H GLY 24 10.067 6.081 -17.421 161 HA2 GLY 24 HA2 GLY 24 8.675 4.147 -17.401 162 HA3 GLY 24 HA3 GLY 24 9.743 3.401 -18.578 163 H GLU 25 H GLU 25 11.817 4.706 -16.462 164 HA GLU 25 HA GLU 25 12.114 2.181 -15.037 165 HB2 GLU 25 HB2 GLU 25 13.894 4.377 -15.821 166 HB3 GLU 25 HB3 GLU 25 14.196 3.745 -14.205 167 HG2 GLU 25 HG2 GLU 25 14.427 1.514 -15.111 168 HG3 GLU 25 HG3 GLU 25 14.101 2.119 -16.738 169 H ALA 26 H ALA 26 12.320 2.057 -12.803 170 HA ALA 26 HA ALA 26 10.778 4.101 -11.412 171 HB1 ALA 26 HB1 ALA 26 10.026 1.789 -11.257 172 HB2 ALA 26 HB2 ALA 26 10.504 2.413 -9.676 173 HB3 ALA 26 HB3 ALA 26 11.577 1.326 -10.559 174 H TYR 27 H TYR 27 11.572 5.281 -9.746 175 HA TYR 27 HA TYR 27 14.241 4.697 -8.701 176 HB2 TYR 27 HB2 TYR 27 13.383 7.323 -9.931 177 HB3 TYR 27 HB3 TYR 27 14.793 7.172 -8.882 178 HD1 TYR 27 HD1 TYR 27 13.428 6.651 -12.205 179 HD2 TYR 27 HD2 TYR 27 16.740 5.830 -9.667 180 HE1 TYR 27 HE1 TYR 27 14.771 6.025 -14.164 181 HE2 TYR 27 HE2 TYR 27 18.093 5.215 -11.620 182 HH TYR 27 HH TYR 27 17.351 4.264 -14.138 183 H CYS 28 H CYS 28 14.672 5.831 -6.638 184 HA CYS 28 HA CYS 28 12.344 5.716 -4.989 185 HB2 CYS 28 HB2 CYS 28 13.800 6.166 -3.130 186 HB3 CYS 28 HB3 CYS 28 14.645 5.072 -4.217 187 H SER 29 H SER 29 14.166 8.257 -6.473 188 HA SER 29 HA SER 29 12.058 10.114 -5.927 189 HB2 SER 29 HB2 SER 29 13.527 10.197 -3.859 190 HB3 SER 29 HB3 SER 29 14.824 10.782 -4.890 191 HG SER 29 HG SER 29 12.539 12.066 -4.002 192 H GLN 30 H GLN 30 12.478 12.182 -6.994 193 HA GLN 30 HA GLN 30 13.263 11.896 -9.650 194 HB2 GLN 30 HB2 GLN 30 11.831 13.723 -8.360 195 HB3 GLN 30 HB3 GLN 30 13.356 14.594 -8.378 196 HG2 GLN 30 HG2 GLN 30 13.415 14.555 -10.777 197 HG3 GLN 30 HG3 GLN 30 11.994 13.513 -10.835 198 HE21 GLN 30 HE21 GLN 30 12.359 16.094 -12.063 199 HE22 GLN 30 HE22 GLN 30 11.142 17.134 -11.414 200 H ALA 31 H ALA 31 15.135 12.649 -6.838 201 HA ALA 31 HA ALA 31 17.402 13.835 -7.954 202 HB1 ALA 31 HB1 ALA 31 18.588 13.053 -5.965 203 HB2 ALA 31 HB2 ALA 31 17.276 11.931 -5.611 204 HB3 ALA 31 HB3 ALA 31 16.992 13.667 -5.529 205 H CYS 32 H CYS 32 16.830 10.348 -7.297 206 HA CYS 32 HA CYS 32 19.164 9.556 -8.743 207 HB2 CYS 32 HB2 CYS 32 16.913 8.100 -7.414 208 HB3 CYS 32 HB3 CYS 32 17.946 7.239 -8.543 209 H ALA 33 H ALA 33 15.872 10.201 -9.561 210 HA ALA 33 HA ALA 33 15.581 8.586 -11.810 211 HB1 ALA 33 HB1 ALA 33 14.389 11.325 -11.359 212 HB2 ALA 33 HB2 ALA 33 13.725 9.808 -10.751 213 HB3 ALA 33 HB3 ALA 33 13.806 10.102 -12.487 214 H GLU 34 H GLU 34 17.040 11.799 -11.435 215 HA GLU 34 HA GLU 34 17.670 11.936 -14.251 216 HB2 GLU 34 HB2 GLU 34 18.492 13.756 -11.997 217 HB3 GLU 34 HB3 GLU 34 18.769 14.039 -13.708 218 HG2 GLU 34 HG2 GLU 34 16.175 13.779 -13.835 219 HG3 GLU 34 HG3 GLU 34 16.275 14.212 -12.137 220 H GLN 35 H GLN 35 18.912 10.043 -11.996 221 HA GLN 35 HA GLN 35 20.874 8.955 -11.667 222 HB2 GLN 35 HB2 GLN 35 21.493 10.043 -14.405 223 HB3 GLN 35 HB3 GLN 35 22.280 8.672 -13.628 224 HG2 GLN 35 HG2 GLN 35 20.302 7.377 -13.713 225 HG3 GLN 35 HG3 GLN 35 19.336 8.770 -14.170 226 HE21 GLN 35 HE21 GLN 35 21.748 6.508 -15.277 227 HE22 GLN 35 HE22 GLN 35 21.514 6.804 -16.964 228 H HIS 36 H HIS 36 20.742 11.549 -10.596 229 HA HIS 36 HA HIS 36 22.008 13.124 -9.556 230 HB2 HIS 36 HB2 HIS 36 24.356 11.328 -10.110 231 HB3 HIS 36 HB3 HIS 36 24.242 12.552 -8.855 232 HD1 HIS 36 HD1 HIS 36 22.609 11.981 -6.818 233 HD2 HIS 36 HD2 HIS 36 23.374 8.863 -9.457 234 HE1 HIS 36 HE1 HIS 36 21.897 9.895 -5.626 235 HA PRO 37 HA PRO 37 23.353 14.958 -13.560 236 HB2 PRO 37 HB2 PRO 37 22.013 17.330 -12.539 237 HB3 PRO 37 HB3 PRO 37 21.673 16.411 -14.005 238 HG2 PRO 37 HG2 PRO 37 20.058 16.475 -11.788 239 HG3 PRO 37 HG3 PRO 37 20.062 15.184 -12.997 240 HD2 PRO 37 HD2 PRO 37 21.186 15.219 -10.257 241 HD3 PRO 37 HD3 PRO 37 20.581 13.854 -11.213 242 H ASN 38 H ASN 38 23.051 16.722 -10.498 243 HA ASN 38 HA ASN 38 25.629 18.041 -11.016 244 HB2 ASN 38 HB2 ASN 38 23.368 18.673 -9.113 245 HB3 ASN 38 HB3 ASN 38 24.941 19.440 -8.974 246 HD21 ASN 38 HD21 ASN 38 23.459 18.637 -12.058 247 HD22 ASN 38 HD22 ASN 38 23.152 20.262 -12.541 248 H GLY 39 H GLY 39 24.852 15.253 -9.868 249 HA2 GLY 39 HA2 GLY 39 26.072 13.808 -8.511 250 HA3 GLY 39 HA3 GLY 39 26.982 15.187 -7.908 251 H GLU 40 H GLU 40 23.751 15.885 -7.795 252 HA GLU 40 HA GLU 40 23.617 15.965 -4.991 253 HB2 GLU 40 HB2 GLU 40 22.304 17.464 -6.401 254 HB3 GLU 40 HB3 GLU 40 21.425 16.100 -7.070 255 HG2 GLU 40 HG2 GLU 40 20.390 15.669 -4.924 256 HG3 GLU 40 HG3 GLU 40 21.336 16.960 -4.185 257 HA PRO 41 HA PRO 41 22.703 11.587 -4.336 258 HB2 PRO 41 HB2 PRO 41 22.315 12.478 -1.551 259 HB3 PRO 41 HB3 PRO 41 23.452 11.292 -2.195 260 HG2 PRO 41 HG2 PRO 41 24.256 13.699 -1.304 261 HG3 PRO 41 HG3 PRO 41 25.054 12.883 -2.659 262 HD2 PRO 41 HD2 PRO 41 23.100 15.144 -2.686 263 HD3 PRO 41 HD3 PRO 41 24.537 14.871 -3.697 264 H CYS 42 H CYS 42 20.889 10.403 -3.168 265 HA CYS 42 HA CYS 42 18.393 11.659 -3.809 266 HB2 CYS 42 HB2 CYS 42 17.381 9.557 -3.249 267 HB3 CYS 42 HB3 CYS 42 18.880 9.193 -4.093 268 HA PRO 43 HA PRO 43 17.337 13.397 0.111 269 HB2 PRO 43 HB2 PRO 43 14.677 12.915 0.269 270 HB3 PRO 43 HB3 PRO 43 15.372 14.055 -0.896 271 HG2 PRO 43 HG2 PRO 43 14.557 11.206 -1.292 272 HG3 PRO 43 HG3 PRO 43 14.188 12.623 -2.295 273 HD2 PRO 43 HD2 PRO 43 16.153 10.930 -2.933 274 HD3 PRO 43 HD3 PRO 43 16.299 12.672 -3.228 275 H ALA 44 H ALA 44 18.537 10.926 0.524 276 HA ALA 44 HA ALA 44 17.022 9.938 2.843 277 HB1 ALA 44 HB1 ALA 44 18.037 7.722 2.473 278 HB2 ALA 44 HB2 ALA 44 18.776 8.321 0.988 279 HB3 ALA 44 HB3 ALA 44 17.022 8.216 1.120 280 HA PRO 45 HA PRO 45 20.648 11.550 4.790 281 HB2 PRO 45 HB2 PRO 45 20.048 10.896 7.340 282 HB3 PRO 45 HB3 PRO 45 19.224 12.197 6.473 283 HG2 PRO 45 HG2 PRO 45 18.320 9.390 6.975 284 HG3 PRO 45 HG3 PRO 45 17.391 10.897 7.065 285 HD2 PRO 45 HD2 PRO 45 17.303 9.201 4.928 286 HD3 PRO 45 HD3 PRO 45 17.028 10.951 4.799 287 H ASP 46 H ASP 46 19.675 8.210 5.216 288 HA ASP 46 HA ASP 46 22.247 7.476 6.354 289 HB2 ASP 46 HB2 ASP 46 20.287 6.314 7.193 290 HB3 ASP 46 HB3 ASP 46 19.835 5.822 5.566 291 H CYS 47 H CYS 47 20.859 7.837 3.304 292 HA CYS 47 HA CYS 47 22.604 5.917 2.011 293 HB2 CYS 47 HB2 CYS 47 20.126 6.455 1.432 294 HB3 CYS 47 HB3 CYS 47 20.818 7.844 0.597 295 H HIS 48 H HIS 48 24.195 6.531 0.463 296 HA HIS 48 HA HIS 48 24.912 9.378 0.429 297 HB2 HIS 48 HB2 HIS 48 26.780 7.140 1.232 298 HB3 HIS 48 HB3 HIS 48 27.319 8.761 0.818 299 HD1 HIS 48 HD1 HIS 48 27.056 10.571 2.583 300 HD2 HIS 48 HD2 HIS 48 25.341 6.954 3.693 301 HE1 HIS 48 HE1 HIS 48 26.482 10.810 5.025 302 HE2 HIS 48 HE2 HIS 48 25.274 8.684 5.609 303 H CYS 49 H CYS 49 23.795 7.596 -1.633 304 HA CYS 49 HA CYS 49 25.912 7.014 -3.483 305 HB2 CYS 49 HB2 CYS 49 24.104 6.480 -5.030 306 HB3 CYS 49 HB3 CYS 49 23.825 5.725 -3.461 307 H GLU 50 H GLU 50 26.581 8.266 -5.179 308 HA GLU 50 HA GLU 50 25.268 10.511 -6.243 309 HB2 GLU 50 HB2 GLU 50 26.678 12.312 -5.240 310 HB3 GLU 50 HB3 GLU 50 25.557 11.563 -4.108 311 HG2 GLU 50 HG2 GLU 50 27.301 10.299 -3.095 312 HG3 GLU 50 HG3 GLU 50 28.449 10.782 -4.341 313 H ARG 51 H ARG 51 28.412 9.235 -5.306 314 HA ARG 51 HA ARG 51 29.719 10.425 -7.591 315 HB2 ARG 51 HB2 ARG 51 31.756 9.598 -6.625 316 HB3 ARG 51 HB3 ARG 51 30.796 10.388 -5.381 317 HG2 ARG 51 HG2 ARG 51 30.030 7.766 -5.176 318 HG3 ARG 51 HG3 ARG 51 31.735 7.642 -5.579 319 HD2 ARG 51 HD2 ARG 51 31.869 7.781 -3.296 320 HD3 ARG 51 HD3 ARG 51 31.998 9.481 -3.728 321 HE ARG 51 HE ARG 51 29.300 8.642 -3.218 322 HH11 ARG 51 HH11 ARG 51 32.264 9.825 -1.755 323 HH12 ARG 51 HH12 ARG 51 31.502 10.347 -0.296 324 HH21 ARG 51 HH21 ARG 51 28.272 9.327 -1.262 325 HH22 ARG 51 HH22 ARG 51 29.224 10.055 -0.012 326 H SER 52 H SER 52 27.730 8.104 -7.488 327 HA SER 52 HA SER 52 28.961 5.803 -8.493 328 HB2 SER 52 HB2 SER 52 26.187 6.716 -9.151 329 HB3 SER 52 HB3 SER 52 26.769 5.072 -8.848 330 HG SER 52 HG SER 52 26.481 5.374 -6.771 331 H GLY 53 H GLY 53 27.815 8.774 -9.970 332 HA2 GLY 53 HA2 GLY 53 28.131 9.674 -12.042 333 HA3 GLY 53 HA3 GLY 53 29.408 8.491 -12.264 334 H LYS 54 H LYS 54 28.955 8.012 -14.354 335 HA LYS 54 HA LYS 54 26.337 7.362 -15.274 336 HB2 LYS 54 HB2 LYS 54 29.046 6.876 -16.531 337 HB3 LYS 54 HB3 LYS 54 27.504 6.654 -17.344 338 HG2 LYS 54 HG2 LYS 54 27.022 9.044 -17.046 339 HG3 LYS 54 HG3 LYS 54 28.597 9.250 -16.281 340 HD2 LYS 54 HD2 LYS 54 29.722 8.610 -18.317 341 HD3 LYS 54 HD3 LYS 54 28.183 8.213 -19.086 342 HE2 LYS 54 HE2 LYS 54 27.499 10.579 -18.832 343 HE3 LYS 54 HE3 LYS 54 29.095 10.940 -18.179 344 HZ1 LYS 54 HZ1 LYS 54 28.570 9.854 -20.891 345 HZ2 LYS 54 HZ2 LYS 54 30.080 10.289 -20.260 346 HZ3 LYS 54 HZ3 LYS 54 28.906 11.472 -20.534 347 H VAL 55 H VAL 55 25.307 5.509 -15.083 348 HA VAL 55 HA VAL 55 26.507 3.281 -13.771 349 HB VAL 55 HB VAL 55 23.826 3.456 -15.174 350 HG11 VAL 55 HG11 VAL 55 24.546 1.153 -14.858 351 HG12 VAL 55 HG12 VAL 55 23.202 1.538 -13.781 352 HG13 VAL 55 HG13 VAL 55 24.848 1.469 -13.149 353 HG21 VAL 55 HG21 VAL 55 22.904 3.828 -12.925 354 HG22 VAL 55 HG22 VAL 55 24.014 5.114 -13.402 355 HG23 VAL 55 HG23 VAL 55 24.542 3.869 -12.270 356 H GLY 56 H GLY 56 25.530 4.026 -17.063 357 HA2 GLY 56 HA2 GLY 56 27.147 1.735 -17.953 358 HA3 GLY 56 HA3 GLY 56 25.570 2.064 -18.659 359 H GLY 57 H GLY 57 26.030 2.647 -20.677 360 HA2 GLY 57 HA2 GLY 57 27.545 5.122 -21.033 361 HA3 GLY 57 HA3 GLY 57 28.072 3.706 -21.936 362 H ARG 58 H ARG 58 26.871 6.351 -22.768 363 HA ARG 58 HA ARG 58 25.365 7.172 -24.243 364 HB2 ARG 58 HB2 ARG 58 26.395 5.528 -25.752 365 HB3 ARG 58 HB3 ARG 58 25.315 4.279 -25.161 366 HG2 ARG 58 HG2 ARG 58 23.412 5.473 -26.111 367 HG3 ARG 58 HG3 ARG 58 24.500 6.733 -26.693 368 HD2 ARG 58 HD2 ARG 58 25.538 5.267 -28.235 369 HD3 ARG 58 HD3 ARG 58 24.828 3.841 -27.477 370 HE ARG 58 HE ARG 58 22.626 4.956 -28.240 371 HH11 ARG 58 HH11 ARG 58 25.637 4.971 -30.036 372 HH12 ARG 58 HH12 ARG 58 24.862 5.075 -31.575 373 HH21 ARG 58 HH21 ARG 58 21.601 5.087 -30.252 374 HH22 ARG 58 HH22 ARG 58 22.540 5.142 -31.703 375 H ASP 59 H ASP 59 23.960 7.687 -22.538 376 HA ASP 59 HA ASP 59 22.096 5.888 -21.436 377 HB2 ASP 59 HB2 ASP 59 22.279 8.883 -21.338 378 HB3 ASP 59 HB3 ASP 59 21.018 7.981 -20.507 379 H ILE 60 H ILE 60 19.726 6.523 -21.294 380 HA ILE 60 HA ILE 60 18.737 6.270 -24.010 381 HB ILE 60 HB ILE 60 17.205 5.914 -21.431 382 HG12 ILE 60 HG12 ILE 60 18.568 3.794 -23.111 383 HG13 ILE 60 HG13 ILE 60 19.190 4.406 -21.583 384 HG21 ILE 60 HG21 ILE 60 15.686 4.599 -22.830 385 HG22 ILE 60 HG22 ILE 60 16.677 4.958 -24.244 386 HG23 ILE 60 HG23 ILE 60 15.824 6.258 -23.413 387 HD11 ILE 60 HD11 ILE 60 17.210 3.557 -20.438 388 HD12 ILE 60 HD12 ILE 60 18.063 2.273 -21.296 389 HD13 ILE 60 HD13 ILE 60 16.582 2.953 -21.971 390 H THR 61 H THR 61 18.934 8.482 -24.592 391 HA THR 61 HA THR 61 16.900 10.238 -23.402 392 HB THR 61 HB THR 61 18.116 12.040 -24.743 393 HG1 THR 61 HG1 THR 61 19.331 10.824 -26.149 394 HG21 THR 61 HG21 THR 61 19.910 12.266 -23.077 395 HG22 THR 61 HG22 THR 61 19.653 10.595 -22.576 396 HG23 THR 61 HG23 THR 61 18.389 11.797 -22.317 397 H ASN 62 H ASN 62 15.020 10.251 -24.485 398 HA ASN 62 HA ASN 62 15.120 9.926 -27.411 399 HB2 ASN 62 HB2 ASN 62 13.192 8.709 -25.444 400 HB3 ASN 62 HB3 ASN 62 12.817 8.849 -27.157 401 HD21 ASN 62 HD21 ASN 62 13.900 7.571 -28.625 402 HD22 ASN 62 HD22 ASN 62 14.855 6.214 -28.148 403 H ASN 63 H ASN 63 12.990 10.566 -28.434 404 HA ASN 63 HA ASN 63 11.414 12.069 -28.992 405 HB2 ASN 63 HB2 ASN 63 11.477 12.715 -26.056 406 HB3 ASN 63 HB3 ASN 63 10.461 13.604 -27.185 407 HD21 ASN 63 HD21 ASN 63 8.749 12.524 -28.217 408 HD22 ASN 63 HD22 ASN 63 8.114 11.048 -27.577 409 H GLN 64 H GLN 64 11.171 14.112 -29.737 410 HA GLN 64 HA GLN 64 13.609 15.691 -29.813 411 HB2 GLN 64 HB2 GLN 64 10.943 16.157 -31.162 412 HB3 GLN 64 HB3 GLN 64 12.444 16.991 -31.512 413 HG2 GLN 64 HG2 GLN 64 13.414 14.897 -32.329 414 HG3 GLN 64 HG3 GLN 64 11.901 14.067 -31.974 415 HE21 GLN 64 HE21 GLN 64 12.081 17.317 -33.239 416 HE22 GLN 64 HE22 GLN 64 11.422 16.960 -34.794 417 H LEU 65 H LEU 65 11.008 15.438 -27.847 418 HA LEU 65 HA LEU 65 10.906 18.311 -27.251 419 HB2 LEU 65 HB2 LEU 65 8.878 16.206 -26.516 420 HB3 LEU 65 HB3 LEU 65 8.743 17.923 -26.210 421 HG LEU 65 HG LEU 65 8.892 18.104 -28.820 422 HD11 LEU 65 HD11 LEU 65 7.878 16.225 -29.973 423 HD12 LEU 65 HD12 LEU 65 7.873 15.296 -28.475 424 HD13 LEU 65 HD13 LEU 65 9.403 15.763 -29.218 425 HD21 LEU 65 HD21 LEU 65 6.990 18.778 -27.459 426 HD22 LEU 65 HD22 LEU 65 6.434 17.106 -27.397 427 HD23 LEU 65 HD23 LEU 65 6.460 17.971 -28.934 428 H ASP 66 H ASP 66 11.404 19.024 -25.295 429 HA ASP 66 HA ASP 66 12.487 17.115 -23.370 430 HB2 ASP 66 HB2 ASP 66 13.302 19.215 -22.196 431 HB3 ASP 66 HB3 ASP 66 13.983 18.926 -23.792 432 H GLU 67 H GLU 67 12.145 18.189 -20.973 433 HA GLU 67 HA GLU 67 9.419 17.637 -20.419 434 HB2 GLU 67 HB2 GLU 67 11.552 18.782 -18.609 435 HB3 GLU 67 HB3 GLU 67 9.999 18.156 -18.083 436 HG2 GLU 67 HG2 GLU 67 10.582 15.937 -18.822 437 HG3 GLU 67 HG3 GLU 67 12.095 16.527 -19.506 438 H ALA 68 H ALA 68 11.344 20.630 -20.043 439 HA ALA 68 HA ALA 68 9.364 22.301 -21.123 440 HB1 ALA 68 HB1 ALA 68 8.142 21.790 -19.050 441 HB2 ALA 68 HB2 ALA 68 8.564 23.499 -19.163 442 HB3 ALA 68 HB3 ALA 68 9.489 22.431 -18.109 443 H LEU 69 H LEU 69 11.433 22.799 -22.127 444 HA LEU 69 HA LEU 69 13.080 24.594 -20.471 445 HB2 LEU 69 HB2 LEU 69 13.772 23.264 -23.086 446 HB3 LEU 69 HB3 LEU 69 14.839 24.293 -22.156 447 HG LEU 69 HG LEU 69 13.796 21.589 -21.304 448 HD11 LEU 69 HD11 LEU 69 15.463 21.455 -23.067 449 HD12 LEU 69 HD12 LEU 69 16.120 20.881 -21.534 450 HD13 LEU 69 HD13 LEU 69 16.551 22.483 -22.134 451 HD21 LEU 69 HD21 LEU 69 14.081 23.058 -19.384 452 HD22 LEU 69 HD22 LEU 69 15.711 23.466 -19.922 453 HD23 LEU 69 HD23 LEU 69 15.337 21.820 -19.412 454 H GLU 70 H GLU 70 10.830 24.588 -23.033 455 HA GLU 70 HA GLU 70 11.864 26.992 -24.301 456 HB2 GLU 70 HB2 GLU 70 10.894 25.110 -25.646 457 HB3 GLU 70 HB3 GLU 70 9.332 25.448 -24.926 458 HG2 GLU 70 HG2 GLU 70 9.275 26.453 -27.050 459 HG3 GLU 70 HG3 GLU 70 9.526 27.778 -25.920 460 H GLU 71 H GLU 71 11.436 27.785 -21.880 461 HA GLU 71 HA GLU 71 8.739 28.874 -21.582 462 HB2 GLU 71 HB2 GLU 71 11.208 29.169 -19.856 463 HB3 GLU 71 HB3 GLU 71 9.662 29.912 -19.491 464 HG2 GLU 71 HG2 GLU 71 8.679 27.606 -19.446 465 HG3 GLU 71 HG3 GLU 71 10.326 26.984 -19.561 466 H THR 72 H THR 72 10.248 29.710 -23.859 467 HA THR 72 HA THR 72 11.328 32.317 -23.366 468 HB THR 72 HB THR 72 10.618 31.305 -26.042 469 HG1 THR 72 HG1 THR 72 11.963 29.659 -25.814 470 HG21 THR 72 HG21 THR 72 12.730 32.442 -26.646 471 HG22 THR 72 HG22 THR 72 12.942 32.888 -24.953 472 HG23 THR 72 HG23 THR 72 11.583 33.534 -25.872 473 H PHE 73 H PHE 73 10.434 34.261 -23.814 474 HA PHE 73 HA PHE 73 7.567 34.322 -24.443 475 HB2 PHE 73 HB2 PHE 73 9.362 36.318 -23.035 476 HB3 PHE 73 HB3 PHE 73 7.686 36.646 -23.452 477 HD1 PHE 73 HD1 PHE 73 9.930 34.754 -21.264 478 HD2 PHE 73 HD2 PHE 73 5.875 35.596 -22.248 479 HE1 PHE 73 HE1 PHE 73 9.207 33.725 -19.149 480 HE2 PHE 73 HE2 PHE 73 5.146 34.571 -20.135 481 HZ PHE 73 HZ PHE 73 6.812 33.634 -18.582 482 HA PRO 74 HA PRO 74 8.505 36.349 -28.256 483 HB2 PRO 74 HB2 PRO 74 6.367 37.886 -28.716 484 HB3 PRO 74 HB3 PRO 74 6.227 36.124 -28.647 485 HG2 PRO 74 HG2 PRO 74 5.524 38.170 -26.591 486 HG3 PRO 74 HG3 PRO 74 4.663 36.687 -27.038 487 HD2 PRO 74 HD2 PRO 74 6.343 36.951 -24.857 488 HD3 PRO 74 HD3 PRO 74 5.909 35.411 -25.620 489 H ALA 75 H ALA 75 8.407 38.620 -29.383 490 HA ALA 75 HA ALA 75 10.136 40.351 -27.990 491 HB1 ALA 75 HB1 ALA 75 8.483 40.914 -30.454 492 HB2 ALA 75 HB2 ALA 75 10.094 40.195 -30.439 493 HB3 ALA 75 HB3 ALA 75 9.864 41.857 -29.895 494 H SER 76 H SER 76 6.682 40.486 -28.699 495 HA SER 76 HA SER 76 6.416 42.831 -27.001 496 HB2 SER 76 HB2 SER 76 4.385 41.450 -28.767 497 HB3 SER 76 HB3 SER 76 4.123 42.954 -27.883 498 HG SER 76 HG SER 76 5.823 43.882 -29.109 499 H ASP 77 H ASP 77 6.495 42.190 -24.952 500 HA ASP 77 HA ASP 77 5.215 39.768 -24.033 501 HB2 ASP 77 HB2 ASP 77 6.131 40.428 -21.821 502 HB3 ASP 77 HB3 ASP 77 7.365 40.385 -23.077 503 HA PRO 78 HA PRO 78 1.382 41.704 -22.863 504 HB2 PRO 78 HB2 PRO 78 0.573 39.884 -20.997 505 HB3 PRO 78 HB3 PRO 78 0.455 39.598 -22.736 506 HG2 PRO 78 HG2 PRO 78 2.524 38.656 -20.794 507 HG3 PRO 78 HG3 PRO 78 1.742 37.769 -22.113 508 HD2 PRO 78 HD2 PRO 78 4.224 38.796 -22.342 509 HD3 PRO 78 HD3 PRO 78 3.108 38.701 -23.720 510 H ILE 79 H ILE 79 0.405 42.737 -21.024 511 HA ILE 79 HA ILE 79 2.369 43.783 -19.191 512 HB ILE 79 HB ILE 79 0.542 45.199 -18.344 513 HG12 ILE 79 HG12 ILE 79 -1.162 43.794 -20.417 514 HG13 ILE 79 HG13 ILE 79 -1.303 43.574 -18.678 515 HG21 ILE 79 HG21 ILE 79 0.796 45.130 -21.344 516 HG22 ILE 79 HG22 ILE 79 1.884 45.943 -20.219 517 HG23 ILE 79 HG23 ILE 79 0.220 46.500 -20.394 518 HD11 ILE 79 HD11 ILE 79 -1.939 45.912 -18.434 519 HD12 ILE 79 HD12 ILE 79 -3.020 45.061 -19.538 520 HD13 ILE 79 HD13 ILE 79 -1.777 46.140 -20.174 521 H SER 80 H SER 80 2.368 43.666 -16.985 522 HA SER 80 HA SER 80 1.580 41.176 -15.901 523 HB2 SER 80 HB2 SER 80 2.653 43.655 -14.550 524 HB3 SER 80 HB3 SER 80 2.597 42.040 -13.836 525 HG SER 80 HG SER 80 3.989 41.342 -15.509 526 HA PRO 81 HA PRO 81 -2.363 42.441 -14.230 527 HB2 PRO 81 HB2 PRO 81 -2.370 40.369 -12.258 528 HB3 PRO 81 HB3 PRO 81 -3.135 40.345 -13.846 529 HG2 PRO 81 HG2 PRO 81 -0.993 38.752 -13.091 530 HG3 PRO 81 HG3 PRO 81 -1.450 39.119 -14.762 531 HD2 PRO 81 HD2 PRO 81 0.689 40.333 -13.067 532 HD3 PRO 81 HD3 PRO 81 0.694 39.955 -14.802 Start of MODEL 3 1 HA ASN 1 HA ASN 1 7.418 -5.108 -11.330 2 HB2 ASN 1 HB2 ASN 1 7.618 -3.452 -13.838 3 HB3 ASN 1 HB3 ASN 1 9.039 -3.824 -12.869 4 HD21 ASN 1 HD21 ASN 1 9.792 -5.912 -12.787 5 HD22 ASN 1 HD22 ASN 1 9.295 -7.131 -13.907 6 H GLU 2 H GLU 2 8.748 -4.088 -9.907 7 HA GLU 2 HA GLU 2 7.899 -1.489 -8.980 8 HB2 GLU 2 HB2 GLU 2 8.581 -3.350 -7.426 9 HB3 GLU 2 HB3 GLU 2 10.227 -3.173 -8.015 10 HG2 GLU 2 HG2 GLU 2 10.296 -0.887 -7.168 11 HG3 GLU 2 HG3 GLU 2 8.635 -1.040 -6.602 12 H LEU 3 H LEU 3 9.066 0.419 -9.149 13 HA LEU 3 HA LEU 3 10.800 0.489 -11.426 14 HB2 LEU 3 HB2 LEU 3 9.500 2.541 -9.706 15 HB3 LEU 3 HB3 LEU 3 10.888 3.014 -10.662 16 HG LEU 3 HG LEU 3 8.725 3.523 -11.762 17 HD11 LEU 3 HD11 LEU 3 10.375 1.457 -13.208 18 HD12 LEU 3 HD12 LEU 3 10.753 3.174 -13.085 19 HD13 LEU 3 HD13 LEU 3 9.307 2.651 -13.946 20 HD21 LEU 3 HD21 LEU 3 7.471 1.581 -10.913 21 HD22 LEU 3 HD22 LEU 3 8.439 0.533 -11.951 22 HD23 LEU 3 HD23 LEU 3 7.365 1.738 -12.668 23 H ARG 4 H ARG 4 12.863 1.344 -11.480 24 HA ARG 4 HA ARG 4 14.325 0.927 -8.964 25 HB2 ARG 4 HB2 ARG 4 14.599 -0.855 -10.746 26 HB3 ARG 4 HB3 ARG 4 15.396 0.361 -11.728 27 HG2 ARG 4 HG2 ARG 4 17.161 0.582 -10.109 28 HG3 ARG 4 HG3 ARG 4 16.325 -0.507 -9.003 29 HD2 ARG 4 HD2 ARG 4 17.365 -1.235 -11.733 30 HD3 ARG 4 HD3 ARG 4 18.136 -1.633 -10.200 31 HE ARG 4 HE ARG 4 15.408 -2.574 -10.567 32 HH11 ARG 4 HH11 ARG 4 18.838 -3.309 -10.648 33 HH12 ARG 4 HH12 ARG 4 18.610 -5.019 -10.615 34 HH21 ARG 4 HH21 ARG 4 15.097 -4.845 -10.527 35 HH22 ARG 4 HH22 ARG 4 16.473 -5.900 -10.554 36 H CYS 5 H CYS 5 16.159 2.267 -8.597 37 HA CYS 5 HA CYS 5 15.834 4.888 -9.755 38 HB2 CYS 5 HB2 CYS 5 16.221 4.680 -7.354 39 HB3 CYS 5 HB3 CYS 5 17.766 3.903 -7.650 40 H GLY 6 H GLY 6 17.301 6.024 -10.956 41 HA2 GLY 6 HA2 GLY 6 18.931 4.430 -12.694 42 HA3 GLY 6 HA3 GLY 6 18.700 6.167 -12.781 43 H CYS 7 H CYS 7 19.574 6.230 -9.804 44 HA CYS 7 HA CYS 7 22.350 6.631 -10.431 45 HB2 CYS 7 HB2 CYS 7 21.375 8.256 -8.960 46 HB3 CYS 7 HB3 CYS 7 20.794 7.009 -7.866 47 HA PRO 8 HA PRO 8 23.329 2.424 -9.244 48 HB2 PRO 8 HB2 PRO 8 25.981 2.614 -9.840 49 HB3 PRO 8 HB3 PRO 8 24.734 2.339 -11.063 50 HG2 PRO 8 HG2 PRO 8 26.124 4.878 -10.306 51 HG3 PRO 8 HG3 PRO 8 25.693 4.275 -11.916 52 HD2 PRO 8 HD2 PRO 8 24.259 6.172 -10.621 53 HD3 PRO 8 HD3 PRO 8 23.517 5.012 -11.743 54 H ASP 9 H ASP 9 24.683 5.386 -8.095 55 HA ASP 9 HA ASP 9 26.272 4.210 -5.979 56 HB2 ASP 9 HB2 ASP 9 26.848 6.388 -7.130 57 HB3 ASP 9 HB3 ASP 9 25.440 7.105 -6.359 58 H CYS 10 H CYS 10 23.045 4.960 -6.503 59 HA CYS 10 HA CYS 10 22.439 5.223 -3.648 60 HB2 CYS 10 HB2 CYS 10 21.618 7.107 -4.773 61 HB3 CYS 10 HB3 CYS 10 21.052 6.148 -6.135 62 H HIS 11 H HIS 11 21.106 3.776 -2.679 63 HA HIS 11 HA HIS 11 19.765 1.814 -4.398 64 HB2 HIS 11 HB2 HIS 11 21.326 1.348 -1.901 65 HB3 HIS 11 HB3 HIS 11 19.948 0.306 -2.246 66 HD2 HIS 11 HD2 HIS 11 23.252 1.357 -4.148 67 HE1 HIS 11 HE1 HIS 11 22.152 -2.585 -5.260 68 HE2 HIS 11 HE2 HIS 11 23.974 -0.857 -5.294 69 H CYS 12 H CYS 12 17.855 2.836 -4.465 70 HA CYS 12 HA CYS 12 16.330 2.882 -1.944 71 HB2 CYS 12 HB2 CYS 12 16.730 5.037 -3.912 72 HB3 CYS 12 HB3 CYS 12 15.069 4.796 -3.384 73 H LYS 13 H LYS 13 14.033 2.637 -2.195 74 HA LYS 13 HA LYS 13 13.374 0.921 -4.417 75 HB2 LYS 13 HB2 LYS 13 11.299 0.463 -3.143 76 HB3 LYS 13 HB3 LYS 13 12.753 0.079 -2.241 77 HG2 LYS 13 HG2 LYS 13 12.516 1.998 -0.862 78 HG3 LYS 13 HG3 LYS 13 11.248 2.660 -1.896 79 HD2 LYS 13 HD2 LYS 13 11.005 0.067 -0.380 80 HD3 LYS 13 HD3 LYS 13 10.429 1.620 0.225 81 HE2 LYS 13 HE2 LYS 13 8.905 1.826 -1.641 82 HE3 LYS 13 HE3 LYS 13 9.542 0.355 -2.369 83 HZ1 LYS 13 HZ1 LYS 13 7.457 -0.020 -1.215 84 HZ2 LYS 13 HZ2 LYS 13 8.144 0.498 0.241 85 HZ3 LYS 13 HZ3 LYS 13 8.715 -0.905 -0.515 86 H VAL 14 H VAL 14 12.445 1.722 -6.094 87 HA VAL 14 HA VAL 14 11.116 4.322 -5.881 88 HB VAL 14 HB VAL 14 11.930 2.917 -8.429 89 HG11 VAL 14 HG11 VAL 14 10.242 4.626 -8.724 90 HG12 VAL 14 HG12 VAL 14 11.792 5.164 -9.381 91 HG13 VAL 14 HG13 VAL 14 11.233 5.780 -7.828 92 HG21 VAL 14 HG21 VAL 14 13.882 4.441 -8.446 93 HG22 VAL 14 HG22 VAL 14 13.924 3.283 -7.114 94 HG23 VAL 14 HG23 VAL 14 13.453 4.954 -6.814 95 H ASP 15 H ASP 15 9.034 4.325 -5.735 96 HA ASP 15 HA ASP 15 7.463 1.990 -6.367 97 HB2 ASP 15 HB2 ASP 15 6.845 4.618 -5.043 98 HB3 ASP 15 HB3 ASP 15 5.598 3.436 -5.419 99 HA PRO 16 HA PRO 16 6.262 3.084 -10.490 100 HB2 PRO 16 HB2 PRO 16 3.646 2.026 -9.499 101 HB3 PRO 16 HB3 PRO 16 4.505 1.672 -11.003 102 HG2 PRO 16 HG2 PRO 16 4.564 -0.056 -8.986 103 HG3 PRO 16 HG3 PRO 16 6.011 0.242 -9.964 104 HD2 PRO 16 HD2 PRO 16 5.384 1.122 -7.193 105 HD3 PRO 16 HD3 PRO 16 6.952 0.752 -7.938 106 H GLU 17 H GLU 17 4.141 4.032 -7.769 107 HA GLU 17 HA GLU 17 2.805 6.000 -9.436 108 HB2 GLU 17 HB2 GLU 17 2.477 5.285 -6.530 109 HB3 GLU 17 HB3 GLU 17 1.612 6.612 -7.287 110 HG2 GLU 17 HG2 GLU 17 0.597 5.037 -8.865 111 HG3 GLU 17 HG3 GLU 17 1.446 3.710 -8.073 112 H ARG 18 H ARG 18 5.699 6.024 -7.758 113 HA ARG 18 HA ARG 18 5.640 8.955 -7.701 114 HB2 ARG 18 HB2 ARG 18 6.638 7.218 -5.437 115 HB3 ARG 18 HB3 ARG 18 6.931 8.946 -5.557 116 HG2 ARG 18 HG2 ARG 18 4.487 9.325 -5.509 117 HG3 ARG 18 HG3 ARG 18 4.254 7.592 -5.282 118 HD2 ARG 18 HD2 ARG 18 5.661 7.751 -3.230 119 HD3 ARG 18 HD3 ARG 18 5.675 9.501 -3.433 120 HE ARG 18 HE ARG 18 3.181 9.335 -3.257 121 HH11 ARG 18 HH11 ARG 18 5.278 6.938 -1.744 122 HH12 ARG 18 HH12 ARG 18 4.135 6.541 -0.510 123 HH21 ARG 18 HH21 ARG 18 1.665 8.777 -1.615 124 HH22 ARG 18 HH22 ARG 18 2.076 7.573 -0.444 125 H VAL 19 H VAL 19 6.762 7.092 -9.569 126 HA VAL 19 HA VAL 19 9.613 7.170 -9.131 127 HB VAL 19 HB VAL 19 8.858 5.194 -10.277 128 HG11 VAL 19 HG11 VAL 19 7.687 5.275 -12.434 129 HG12 VAL 19 HG12 VAL 19 7.610 7.032 -12.319 130 HG13 VAL 19 HG13 VAL 19 6.742 6.032 -11.152 131 HG21 VAL 19 HG21 VAL 19 10.985 6.088 -11.044 132 HG22 VAL 19 HG22 VAL 19 10.152 7.034 -12.277 133 HG23 VAL 19 HG23 VAL 19 10.125 5.273 -12.349 134 H PHE 20 H PHE 20 10.800 8.895 -9.538 135 HA PHE 20 HA PHE 20 9.788 11.048 -11.122 136 HB2 PHE 20 HB2 PHE 20 12.309 10.573 -9.574 137 HB3 PHE 20 HB3 PHE 20 12.139 11.974 -10.631 138 HD1 PHE 20 HD1 PHE 20 10.776 10.296 -7.641 139 HD2 PHE 20 HD2 PHE 20 10.829 13.829 -10.007 140 HE1 PHE 20 HE1 PHE 20 9.579 11.497 -5.861 141 HE2 PHE 20 HE2 PHE 20 9.631 15.042 -8.231 142 HZ PHE 20 HZ PHE 20 9.005 13.874 -6.154 143 H ASN 21 H ASN 21 9.735 10.777 -13.251 144 HA ASN 21 HA ASN 21 11.814 9.259 -14.593 145 HB2 ASN 21 HB2 ASN 21 9.328 10.569 -15.691 146 HB3 ASN 21 HB3 ASN 21 10.462 9.630 -16.637 147 HD21 ASN 21 HD21 ASN 21 10.936 7.683 -14.549 148 HD22 ASN 21 HD22 ASN 21 9.516 6.698 -14.482 149 H HIS 22 H HIS 22 13.540 10.145 -15.349 150 HA HIS 22 HA HIS 22 13.344 12.827 -16.493 151 HB2 HIS 22 HB2 HIS 22 14.429 12.860 -14.182 152 HB3 HIS 22 HB3 HIS 22 15.731 11.918 -14.889 153 HD2 HIS 22 HD2 HIS 22 14.079 15.410 -15.785 154 HE1 HIS 22 HE1 HIS 22 18.239 15.557 -16.551 155 HE2 HIS 22 HE2 HIS 22 16.052 16.762 -16.759 156 H ASP 23 H ASP 23 13.985 12.778 -18.530 157 HA ASP 23 HA ASP 23 15.057 12.226 -20.459 158 HB2 ASP 23 HB2 ASP 23 17.092 12.596 -19.056 159 HB3 ASP 23 HB3 ASP 23 17.088 10.886 -18.650 160 H GLY 24 H GLY 24 13.129 10.429 -19.066 161 HA2 GLY 24 HA2 GLY 24 12.067 8.482 -19.748 162 HA3 GLY 24 HA3 GLY 24 13.400 8.179 -20.852 163 H GLU 25 H GLU 25 14.307 8.879 -17.661 164 HA GLU 25 HA GLU 25 14.784 6.025 -17.140 165 HB2 GLU 25 HB2 GLU 25 16.511 8.367 -16.941 166 HB3 GLU 25 HB3 GLU 25 16.479 7.426 -15.455 167 HG2 GLU 25 HG2 GLU 25 17.188 5.458 -16.626 168 HG3 GLU 25 HG3 GLU 25 17.052 6.279 -18.180 169 H ALA 26 H ALA 26 14.731 5.374 -14.909 170 HA ALA 26 HA ALA 26 12.640 6.811 -13.458 171 HB1 ALA 26 HB1 ALA 26 12.192 4.471 -14.008 172 HB2 ALA 26 HB2 ALA 26 12.303 4.703 -12.263 173 HB3 ALA 26 HB3 ALA 26 13.651 3.985 -13.146 174 H TYR 27 H TYR 27 12.955 7.576 -11.422 175 HA TYR 27 HA TYR 27 15.499 7.008 -10.095 176 HB2 TYR 27 HB2 TYR 27 14.477 9.767 -10.780 177 HB3 TYR 27 HB3 TYR 27 15.751 9.472 -9.597 178 HD1 TYR 27 HD1 TYR 27 14.937 9.871 -13.082 179 HD2 TYR 27 HD2 TYR 27 17.878 8.366 -10.396 180 HE1 TYR 27 HE1 TYR 27 16.591 9.867 -14.899 181 HE2 TYR 27 HE2 TYR 27 19.540 8.365 -12.202 182 HH TYR 27 HH TYR 27 19.362 8.191 -14.842 183 H CYS 28 H CYS 28 15.506 7.525 -7.816 184 HA CYS 28 HA CYS 28 12.990 6.898 -6.592 185 HB2 CYS 28 HB2 CYS 28 14.192 6.850 -4.523 186 HB3 CYS 28 HB3 CYS 28 15.249 6.152 -5.745 187 H SER 29 H SER 29 14.720 9.747 -7.319 188 HA SER 29 HA SER 29 12.578 11.393 -6.443 189 HB2 SER 29 HB2 SER 29 13.542 11.267 -4.284 190 HB3 SER 29 HB3 SER 29 15.181 11.362 -4.904 191 HG SER 29 HG SER 29 13.381 13.371 -4.338 192 H GLN 30 H GLN 30 12.834 13.540 -7.097 193 HA GLN 30 HA GLN 30 14.040 14.006 -9.552 194 HB2 GLN 30 HB2 GLN 30 12.158 15.263 -8.345 195 HB3 GLN 30 HB3 GLN 30 13.435 16.138 -7.517 196 HG2 GLN 30 HG2 GLN 30 14.180 17.133 -9.515 197 HG3 GLN 30 HG3 GLN 30 13.226 16.025 -10.504 198 HE21 GLN 30 HE21 GLN 30 12.171 17.687 -11.553 199 HE22 GLN 30 HE22 GLN 30 10.959 18.652 -10.787 200 H ALA 31 H ALA 31 15.372 14.061 -6.379 201 HA ALA 31 HA ALA 31 17.607 15.733 -6.743 202 HB1 ALA 31 HB1 ALA 31 18.552 14.592 -4.807 203 HB2 ALA 31 HB2 ALA 31 17.377 13.289 -4.981 204 HB3 ALA 31 HB3 ALA 31 16.834 14.905 -4.541 205 H CYS 32 H CYS 32 17.388 12.150 -6.992 206 HA CYS 32 HA CYS 32 19.980 11.908 -8.148 207 HB2 CYS 32 HB2 CYS 32 17.702 10.027 -7.675 208 HB3 CYS 32 HB3 CYS 32 18.995 9.551 -8.765 209 H ALA 33 H ALA 33 16.821 12.531 -9.389 210 HA ALA 33 HA ALA 33 17.052 11.587 -11.984 211 HB1 ALA 33 HB1 ALA 33 15.354 13.281 -12.557 212 HB2 ALA 33 HB2 ALA 33 15.609 14.051 -10.994 213 HB3 ALA 33 HB3 ALA 33 14.951 12.416 -11.075 214 H GLU 34 H GLU 34 18.067 14.690 -10.573 215 HA GLU 34 HA GLU 34 19.190 15.593 -13.069 216 HB2 GLU 34 HB2 GLU 34 19.420 16.790 -10.315 217 HB3 GLU 34 HB3 GLU 34 19.903 17.560 -11.819 218 HG2 GLU 34 HG2 GLU 34 17.426 17.155 -12.485 219 HG3 GLU 34 HG3 GLU 34 17.188 17.007 -10.753 220 H GLN 35 H GLN 35 20.202 13.259 -11.121 221 HA GLN 35 HA GLN 35 22.176 12.200 -10.737 222 HB2 GLN 35 HB2 GLN 35 23.229 14.005 -12.908 223 HB3 GLN 35 HB3 GLN 35 23.872 12.436 -12.430 224 HG2 GLN 35 HG2 GLN 35 21.957 11.303 -13.267 225 HG3 GLN 35 HG3 GLN 35 21.093 12.814 -13.498 226 HE21 GLN 35 HE21 GLN 35 23.416 14.189 -14.600 227 HE22 GLN 35 HE22 GLN 35 23.599 13.578 -16.206 228 H HIS 36 H HIS 36 21.606 14.414 -9.101 229 HA HIS 36 HA HIS 36 22.510 15.746 -7.489 230 HB2 HIS 36 HB2 HIS 36 25.091 14.290 -8.029 231 HB3 HIS 36 HB3 HIS 36 24.654 15.145 -6.552 232 HD1 HIS 36 HD1 HIS 36 22.741 13.981 -5.084 233 HD2 HIS 36 HD2 HIS 36 24.303 11.711 -8.181 234 HE1 HIS 36 HE1 HIS 36 22.058 11.620 -4.602 235 HA PRO 37 HA PRO 37 24.381 18.488 -10.629 236 HB2 PRO 37 HB2 PRO 37 22.665 20.584 -10.157 237 HB3 PRO 37 HB3 PRO 37 22.414 19.332 -11.374 238 HG2 PRO 37 HG2 PRO 37 21.091 19.723 -8.781 239 HG3 PRO 37 HG3 PRO 37 20.526 18.856 -10.210 240 HD2 PRO 37 HD2 PRO 37 21.553 17.706 -7.843 241 HD3 PRO 37 HD3 PRO 37 21.245 16.872 -9.375 242 H ASN 38 H ASN 38 23.262 19.411 -7.370 243 HA ASN 38 HA ASN 38 25.656 21.133 -7.139 244 HB2 ASN 38 HB2 ASN 38 23.028 21.191 -5.640 245 HB3 ASN 38 HB3 ASN 38 24.445 22.053 -5.076 246 HD21 ASN 38 HD21 ASN 38 23.759 21.747 -8.477 247 HD22 ASN 38 HD22 ASN 38 23.308 23.394 -8.734 248 H GLY 39 H GLY 39 25.025 18.120 -6.677 249 HA2 GLY 39 HA2 GLY 39 26.306 16.605 -5.427 250 HA3 GLY 39 HA3 GLY 39 26.716 17.898 -4.313 251 H GLU 40 H GLU 40 23.533 18.259 -4.700 252 HA GLU 40 HA GLU 40 22.695 17.461 -2.185 253 HB2 GLU 40 HB2 GLU 40 21.329 18.098 -4.750 254 HB3 GLU 40 HB3 GLU 40 20.376 17.298 -3.517 255 HG2 GLU 40 HG2 GLU 40 21.929 19.692 -2.712 256 HG3 GLU 40 HG3 GLU 40 20.510 19.934 -3.730 257 HA PRO 41 HA PRO 41 22.565 12.944 -2.856 258 HB2 PRO 41 HB2 PRO 41 21.709 13.045 -0.020 259 HB3 PRO 41 HB3 PRO 41 23.029 12.131 -0.756 260 HG2 PRO 41 HG2 PRO 41 23.513 14.251 0.796 261 HG3 PRO 41 HG3 PRO 41 24.507 13.907 -0.631 262 HD2 PRO 41 HD2 PRO 41 22.316 15.917 -0.283 263 HD3 PRO 41 HD3 PRO 41 23.872 16.080 -1.125 264 H CYS 42 H CYS 42 20.713 11.350 -2.380 265 HA CYS 42 HA CYS 42 18.251 12.592 -3.104 266 HB2 CYS 42 HB2 CYS 42 17.346 10.356 -3.206 267 HB3 CYS 42 HB3 CYS 42 18.973 10.305 -3.862 268 HA PRO 43 HA PRO 43 16.358 13.449 0.768 269 HB2 PRO 43 HB2 PRO 43 13.810 12.527 0.447 270 HB3 PRO 43 HB3 PRO 43 14.440 13.977 -0.353 271 HG2 PRO 43 HG2 PRO 43 14.206 11.185 -1.399 272 HG3 PRO 43 HG3 PRO 43 13.718 12.709 -2.168 273 HD2 PRO 43 HD2 PRO 43 16.000 11.540 -2.825 274 HD3 PRO 43 HD3 PRO 43 15.908 13.303 -2.665 275 H ALA 44 H ALA 44 17.414 10.463 0.370 276 HA ALA 44 HA ALA 44 15.883 9.233 2.532 277 HB1 ALA 44 HB1 ALA 44 17.219 7.212 2.009 278 HB2 ALA 44 HB2 ALA 44 18.048 8.123 0.746 279 HB3 ALA 44 HB3 ALA 44 16.319 7.816 0.618 280 HA PRO 45 HA PRO 45 19.046 10.698 5.284 281 HB2 PRO 45 HB2 PRO 45 18.023 9.086 7.437 282 HB3 PRO 45 HB3 PRO 45 17.788 10.814 7.165 283 HG2 PRO 45 HG2 PRO 45 15.792 8.911 6.987 284 HG3 PRO 45 HG3 PRO 45 15.743 10.500 6.205 285 HD2 PRO 45 HD2 PRO 45 16.401 7.827 5.047 286 HD3 PRO 45 HD3 PRO 45 15.522 9.194 4.327 287 H ASP 46 H ASP 46 18.337 7.302 5.023 288 HA ASP 46 HA ASP 46 20.777 6.498 6.355 289 HB2 ASP 46 HB2 ASP 46 18.749 5.170 6.641 290 HB3 ASP 46 HB3 ASP 46 18.647 4.919 4.906 291 H CYS 47 H CYS 47 19.772 7.284 3.211 292 HA CYS 47 HA CYS 47 21.928 5.807 1.947 293 HB2 CYS 47 HB2 CYS 47 19.612 6.020 0.935 294 HB3 CYS 47 HB3 CYS 47 20.003 7.717 0.661 295 H HIS 48 H HIS 48 23.700 6.806 1.007 296 HA HIS 48 HA HIS 48 23.871 9.699 1.246 297 HB2 HIS 48 HB2 HIS 48 25.864 7.810 2.509 298 HB3 HIS 48 HB3 HIS 48 26.175 9.522 2.243 299 HD1 HIS 48 HD1 HIS 48 25.028 11.191 3.825 300 HD2 HIS 48 HD2 HIS 48 23.964 7.240 4.531 301 HE1 HIS 48 HE1 HIS 48 23.765 11.203 5.999 302 HE2 HIS 48 HE2 HIS 48 22.935 8.856 6.264 303 H CYS 49 H CYS 49 23.500 9.204 -1.042 304 HA CYS 49 HA CYS 49 26.003 8.588 -2.445 305 HB2 CYS 49 HB2 CYS 49 24.574 8.241 -4.403 306 HB3 CYS 49 HB3 CYS 49 24.131 7.177 -3.072 307 H GLU 50 H GLU 50 26.970 10.139 -3.506 308 HA GLU 50 HA GLU 50 25.548 12.479 -4.440 309 HB2 GLU 50 HB2 GLU 50 27.116 14.034 -3.280 310 HB3 GLU 50 HB3 GLU 50 26.038 13.180 -2.187 311 HG2 GLU 50 HG2 GLU 50 27.885 11.583 -1.708 312 HG3 GLU 50 HG3 GLU 50 28.946 12.586 -2.695 313 H ARG 51 H ARG 51 27.325 10.078 -5.128 314 HA ARG 51 HA ARG 51 29.165 11.528 -6.894 315 HB2 ARG 51 HB2 ARG 51 29.884 9.021 -5.392 316 HB3 ARG 51 HB3 ARG 51 30.945 10.021 -6.372 317 HG2 ARG 51 HG2 ARG 51 30.839 11.798 -4.763 318 HG3 ARG 51 HG3 ARG 51 29.631 10.919 -3.822 319 HD2 ARG 51 HD2 ARG 51 31.776 10.664 -2.789 320 HD3 ARG 51 HD3 ARG 51 31.276 9.123 -3.482 321 HE ARG 51 HE ARG 51 33.087 10.902 -4.949 322 HH11 ARG 51 HH11 ARG 51 32.478 7.791 -3.425 323 HH12 ARG 51 HH12 ARG 51 33.891 7.051 -4.089 324 HH21 ARG 51 HH21 ARG 51 34.953 9.914 -5.830 325 HH22 ARG 51 HH22 ARG 51 35.306 8.262 -5.466 326 H SER 52 H SER 52 26.691 10.571 -7.620 327 HA SER 52 HA SER 52 26.591 7.966 -8.619 328 HB2 SER 52 HB2 SER 52 24.835 8.892 -10.145 329 HB3 SER 52 HB3 SER 52 24.594 9.315 -8.448 330 HG SER 52 HG SER 52 25.872 10.977 -10.365 331 H GLY 53 H GLY 53 27.883 7.058 -10.090 332 HA2 GLY 53 HA2 GLY 53 29.510 8.609 -11.861 333 HA3 GLY 53 HA3 GLY 53 29.348 6.856 -11.857 334 H LYS 54 H LYS 54 29.466 8.626 -14.093 335 HA LYS 54 HA LYS 54 26.924 9.063 -15.208 336 HB2 LYS 54 HB2 LYS 54 29.229 10.019 -15.859 337 HB3 LYS 54 HB3 LYS 54 29.435 8.537 -16.777 338 HG2 LYS 54 HG2 LYS 54 27.599 9.066 -18.180 339 HG3 LYS 54 HG3 LYS 54 27.138 10.428 -17.155 340 HD2 LYS 54 HD2 LYS 54 29.248 11.541 -17.684 341 HD3 LYS 54 HD3 LYS 54 29.708 10.185 -18.714 342 HE2 LYS 54 HE2 LYS 54 27.344 12.023 -19.121 343 HE3 LYS 54 HE3 LYS 54 28.827 12.009 -20.072 344 HZ1 LYS 54 HZ1 LYS 54 26.857 9.788 -19.900 345 HZ2 LYS 54 HZ2 LYS 54 28.280 9.765 -20.812 346 HZ3 LYS 54 HZ3 LYS 54 27.042 10.846 -21.204 347 H VAL 55 H VAL 55 25.515 7.549 -15.743 348 HA VAL 55 HA VAL 55 26.302 4.785 -15.903 349 HB VAL 55 HB VAL 55 23.553 5.929 -16.409 350 HG11 VAL 55 HG11 VAL 55 22.821 3.703 -15.575 351 HG12 VAL 55 HG12 VAL 55 24.511 3.198 -15.570 352 HG13 VAL 55 HG13 VAL 55 23.726 3.644 -17.085 353 HG21 VAL 55 HG21 VAL 55 23.087 5.542 -14.035 354 HG22 VAL 55 HG22 VAL 55 24.354 6.748 -14.263 355 HG23 VAL 55 HG23 VAL 55 24.777 5.106 -13.779 356 H GLY 56 H GLY 56 26.347 3.483 -17.663 357 HA2 GLY 56 HA2 GLY 56 25.651 4.686 -20.268 358 HA3 GLY 56 HA3 GLY 56 27.130 3.764 -20.036 359 H GLY 57 H GLY 57 24.379 2.682 -18.320 360 HA2 GLY 57 HA2 GLY 57 24.373 0.202 -19.807 361 HA3 GLY 57 HA3 GLY 57 23.415 0.566 -18.378 362 H ARG 58 H ARG 58 22.111 -0.786 -20.226 363 HA ARG 58 HA ARG 58 20.417 1.243 -21.512 364 HB2 ARG 58 HB2 ARG 58 21.813 0.023 -23.183 365 HB3 ARG 58 HB3 ARG 58 21.053 -1.476 -22.666 366 HG2 ARG 58 HG2 ARG 58 18.839 -0.378 -23.263 367 HG3 ARG 58 HG3 ARG 58 19.798 0.855 -24.078 368 HD2 ARG 58 HD2 ARG 58 20.870 -0.972 -25.410 369 HD3 ARG 58 HD3 ARG 58 19.723 -2.100 -24.685 370 HE ARG 58 HE ARG 58 19.181 -0.096 -26.706 371 HH11 ARG 58 HH11 ARG 58 17.778 -2.297 -24.345 372 HH12 ARG 58 HH12 ARG 58 16.215 -2.284 -25.091 373 HH21 ARG 58 HH21 ARG 58 17.111 -0.095 -27.676 374 HH22 ARG 58 HH22 ARG 58 15.841 -1.045 -26.986 375 H ASP 59 H ASP 59 18.471 1.211 -20.638 376 HA ASP 59 HA ASP 59 17.418 -1.224 -19.437 377 HB2 ASP 59 HB2 ASP 59 17.082 0.943 -18.260 378 HB3 ASP 59 HB3 ASP 59 16.192 1.544 -19.657 379 H ILE 60 H ILE 60 15.476 -2.215 -20.212 380 HA ILE 60 HA ILE 60 15.231 -1.997 -23.064 381 HB ILE 60 HB ILE 60 13.507 -3.664 -21.214 382 HG12 ILE 60 HG12 ILE 60 16.080 -4.413 -22.629 383 HG13 ILE 60 HG13 ILE 60 15.903 -4.177 -20.894 384 HG21 ILE 60 HG21 ILE 60 12.594 -3.379 -23.456 385 HG22 ILE 60 HG22 ILE 60 13.168 -5.032 -23.236 386 HG23 ILE 60 HG23 ILE 60 14.129 -3.883 -24.162 387 HD11 ILE 60 HD11 ILE 60 15.933 -6.533 -21.464 388 HD12 ILE 60 HD12 ILE 60 14.554 -6.305 -22.540 389 HD13 ILE 60 HD13 ILE 60 14.364 -6.074 -20.803 390 H THR 61 H THR 61 14.607 0.238 -23.022 391 HA THR 61 HA THR 61 11.716 0.503 -22.901 392 HB THR 61 HB THR 61 12.514 1.392 -20.744 393 HG1 THR 61 HG1 THR 61 10.774 2.527 -21.350 394 HG21 THR 61 HG21 THR 61 14.783 2.046 -21.408 395 HG22 THR 61 HG22 THR 61 13.930 3.398 -20.662 396 HG23 THR 61 HG23 THR 61 14.122 3.336 -22.413 397 H ASN 62 H ASN 62 10.896 1.852 -24.430 398 HA ASN 62 HA ASN 62 12.786 3.356 -26.098 399 HB2 ASN 62 HB2 ASN 62 10.515 1.595 -27.063 400 HB3 ASN 62 HB3 ASN 62 11.401 2.717 -28.088 401 HD21 ASN 62 HD21 ASN 62 13.584 2.293 -28.546 402 HD22 ASN 62 HD22 ASN 62 14.238 0.701 -28.395 403 H ASN 63 H ASN 63 10.895 3.917 -23.884 404 HA ASN 63 HA ASN 63 8.699 5.371 -25.021 405 HB2 ASN 63 HB2 ASN 63 9.790 5.290 -22.200 406 HB3 ASN 63 HB3 ASN 63 8.308 6.111 -22.680 407 HD21 ASN 63 HD21 ASN 63 6.517 4.895 -23.248 408 HD22 ASN 63 HD22 ASN 63 6.389 3.221 -22.856 409 H GLN 64 H GLN 64 8.715 7.378 -25.711 410 HA GLN 64 HA GLN 64 11.024 9.055 -25.033 411 HB2 GLN 64 HB2 GLN 64 10.394 10.424 -27.021 412 HB3 GLN 64 HB3 GLN 64 10.797 8.763 -27.412 413 HG2 GLN 64 HG2 GLN 64 8.960 8.968 -28.705 414 HG3 GLN 64 HG3 GLN 64 8.160 8.487 -27.213 415 HE21 GLN 64 HE21 GLN 64 6.252 9.504 -27.793 416 HE22 GLN 64 HE22 GLN 64 6.081 11.224 -27.791 417 H LEU 65 H LEU 65 7.764 8.584 -24.462 418 HA LEU 65 HA LEU 65 6.241 9.560 -23.126 419 HB2 LEU 65 HB2 LEU 65 8.616 11.204 -22.280 420 HB3 LEU 65 HB3 LEU 65 7.021 11.466 -21.607 421 HG LEU 65 HG LEU 65 7.088 9.003 -20.901 422 HD11 LEU 65 HD11 LEU 65 8.943 8.293 -22.305 423 HD12 LEU 65 HD12 LEU 65 9.292 8.021 -20.598 424 HD13 LEU 65 HD13 LEU 65 10.026 9.386 -21.441 425 HD21 LEU 65 HD21 LEU 65 8.387 9.520 -18.885 426 HD22 LEU 65 HD22 LEU 65 7.289 10.829 -19.323 427 HD23 LEU 65 HD23 LEU 65 9.012 10.970 -19.672 428 H ASP 66 H ASP 66 4.909 11.487 -22.813 429 HA ASP 66 HA ASP 66 4.713 12.948 -25.307 430 HB2 ASP 66 HB2 ASP 66 2.570 13.745 -24.449 431 HB3 ASP 66 HB3 ASP 66 2.692 12.005 -24.234 432 H GLU 67 H GLU 67 6.981 13.544 -23.658 433 HA GLU 67 HA GLU 67 6.586 15.935 -22.196 434 HB2 GLU 67 HB2 GLU 67 9.112 14.853 -23.433 435 HB3 GLU 67 HB3 GLU 67 9.025 16.132 -22.230 436 HG2 GLU 67 HG2 GLU 67 8.035 14.543 -20.645 437 HG3 GLU 67 HG3 GLU 67 8.199 13.268 -21.850 438 H ALA 68 H ALA 68 5.772 17.645 -23.155 439 HA ALA 68 HA ALA 68 7.222 18.794 -25.399 440 HB1 ALA 68 HB1 ALA 68 5.139 19.317 -26.582 441 HB2 ALA 68 HB2 ALA 68 4.224 18.420 -25.372 442 HB3 ALA 68 HB3 ALA 68 5.363 17.575 -26.421 443 H LEU 69 H LEU 69 6.790 21.077 -25.623 444 HA LEU 69 HA LEU 69 5.558 22.308 -23.268 445 HB2 LEU 69 HB2 LEU 69 8.276 22.974 -24.414 446 HB3 LEU 69 HB3 LEU 69 7.415 24.024 -23.314 447 HG LEU 69 HG LEU 69 7.454 21.977 -21.711 448 HD11 LEU 69 HD11 LEU 69 8.265 20.340 -23.316 449 HD12 LEU 69 HD12 LEU 69 9.404 20.534 -21.984 450 HD13 LEU 69 HD13 LEU 69 9.740 21.279 -23.546 451 HD21 LEU 69 HD21 LEU 69 9.629 22.693 -20.838 452 HD22 LEU 69 HD22 LEU 69 8.621 24.066 -21.298 453 HD23 LEU 69 HD23 LEU 69 9.944 23.552 -22.346 454 H GLU 70 H GLU 70 5.066 24.593 -23.606 455 HA GLU 70 HA GLU 70 4.483 25.164 -26.428 456 HB2 GLU 70 HB2 GLU 70 3.044 25.780 -23.886 457 HB3 GLU 70 HB3 GLU 70 2.906 26.918 -25.216 458 HG2 GLU 70 HG2 GLU 70 2.223 23.991 -25.367 459 HG3 GLU 70 HG3 GLU 70 1.063 25.300 -25.138 460 H GLU 71 H GLU 71 4.724 27.187 -23.540 461 HA GLU 71 HA GLU 71 7.162 28.391 -24.223 462 HB2 GLU 71 HB2 GLU 71 6.216 30.691 -24.727 463 HB3 GLU 71 HB3 GLU 71 6.080 29.500 -26.009 464 HG2 GLU 71 HG2 GLU 71 3.717 29.088 -25.090 465 HG3 GLU 71 HG3 GLU 71 3.939 30.619 -24.246 466 H THR 72 H THR 72 7.410 27.800 -22.048 467 HA THR 72 HA THR 72 5.820 29.077 -20.023 468 HB THR 72 HB THR 72 7.969 28.036 -18.738 469 HG1 THR 72 HG1 THR 72 8.910 27.034 -20.473 470 HG21 THR 72 HG21 THR 72 5.644 27.644 -18.150 471 HG22 THR 72 HG22 THR 72 6.505 26.109 -18.252 472 HG23 THR 72 HG23 THR 72 5.440 26.609 -19.563 473 H PHE 73 H PHE 73 6.117 31.136 -19.598 474 HA PHE 73 HA PHE 73 8.646 32.425 -20.058 475 HB2 PHE 73 HB2 PHE 73 6.013 33.440 -18.973 476 HB3 PHE 73 HB3 PHE 73 7.439 34.456 -19.140 477 HD1 PHE 73 HD1 PHE 73 4.644 32.935 -20.823 478 HD2 PHE 73 HD2 PHE 73 8.375 34.888 -21.408 479 HE1 PHE 73 HE1 PHE 73 4.028 33.400 -23.159 480 HE2 PHE 73 HE2 PHE 73 7.768 35.360 -23.746 481 HZ PHE 73 HZ PHE 73 5.589 34.615 -24.624 482 HA PRO 74 HA PRO 74 10.321 32.020 -15.990 483 HB2 PRO 74 HB2 PRO 74 11.339 34.773 -16.127 484 HB3 PRO 74 HB3 PRO 74 12.235 33.253 -16.105 485 HG2 PRO 74 HG2 PRO 74 12.092 34.782 -18.306 486 HG3 PRO 74 HG3 PRO 74 12.149 33.012 -18.396 487 HD2 PRO 74 HD2 PRO 74 9.800 34.853 -18.643 488 HD3 PRO 74 HD3 PRO 74 10.216 33.416 -19.603 489 H ALA 75 H ALA 75 10.488 33.210 -13.840 490 HA ALA 75 HA ALA 75 7.970 33.909 -12.882 491 HB1 ALA 75 HB1 ALA 75 9.777 33.140 -11.430 492 HB2 ALA 75 HB2 ALA 75 9.138 34.684 -10.864 493 HB3 ALA 75 HB3 ALA 75 10.669 34.631 -11.735 494 H SER 76 H SER 76 10.714 35.998 -13.671 495 HA SER 76 HA SER 76 8.931 38.297 -13.646 496 HB2 SER 76 HB2 SER 76 11.942 38.167 -13.920 497 HB3 SER 76 HB3 SER 76 10.979 39.638 -13.763 498 HG SER 76 HG SER 76 10.377 37.892 -11.798 499 H ASP 77 H ASP 77 7.806 38.197 -15.482 500 HA ASP 77 HA ASP 77 9.066 37.552 -17.986 501 HB2 ASP 77 HB2 ASP 77 6.753 37.945 -18.918 502 HB3 ASP 77 HB3 ASP 77 6.856 36.687 -17.694 503 HA PRO 78 HA PRO 78 10.118 41.695 -19.182 504 HB2 PRO 78 HB2 PRO 78 9.594 40.818 -21.956 505 HB3 PRO 78 HB3 PRO 78 11.093 41.397 -21.229 506 HG2 PRO 78 HG2 PRO 78 10.772 38.830 -21.868 507 HG3 PRO 78 HG3 PRO 78 11.664 39.319 -20.414 508 HD2 PRO 78 HD2 PRO 78 8.865 38.295 -20.666 509 HD3 PRO 78 HD3 PRO 78 10.116 37.898 -19.469 510 H ILE 79 H ILE 79 9.298 43.417 -20.788 511 HA ILE 79 HA ILE 79 6.492 43.787 -20.292 512 HB ILE 79 HB ILE 79 8.369 45.495 -21.947 513 HG12 ILE 79 HG12 ILE 79 9.164 45.288 -19.636 514 HG13 ILE 79 HG13 ILE 79 8.566 46.912 -19.945 515 HG21 ILE 79 HG21 ILE 79 6.729 47.279 -21.591 516 HG22 ILE 79 HG22 ILE 79 5.688 46.151 -20.724 517 HG23 ILE 79 HG23 ILE 79 6.013 45.908 -22.440 518 HD11 ILE 79 HD11 ILE 79 6.475 46.346 -18.795 519 HD12 ILE 79 HD12 ILE 79 7.882 46.139 -17.753 520 HD13 ILE 79 HD13 ILE 79 7.104 44.730 -18.471 521 H SER 80 H SER 80 5.019 42.845 -21.483 522 HA SER 80 HA SER 80 5.605 42.041 -24.207 523 HB2 SER 80 HB2 SER 80 3.198 41.507 -22.458 524 HB3 SER 80 HB3 SER 80 3.503 40.776 -24.034 525 HG SER 80 HG SER 80 4.838 40.374 -21.584 526 HA PRO 81 HA PRO 81 3.497 45.441 -26.157 527 HB2 PRO 81 HB2 PRO 81 2.452 43.409 -28.060 528 HB3 PRO 81 HB3 PRO 81 3.382 44.876 -28.383 529 HG2 PRO 81 HG2 PRO 81 4.525 42.482 -28.565 530 HG3 PRO 81 HG3 PRO 81 5.407 43.863 -27.888 531 HD2 PRO 81 HD2 PRO 81 4.108 41.570 -26.479 532 HD3 PRO 81 HD3 PRO 81 5.649 42.383 -26.136 Start of MODEL 4 1 HA ASN 1 HA ASN 1 1.888 14.174 -4.402 2 HB2 ASN 1 HB2 ASN 1 -0.495 13.478 -4.208 3 HB3 ASN 1 HB3 ASN 1 0.023 11.802 -4.076 4 HD21 ASN 1 HD21 ASN 1 -0.064 14.911 -2.505 5 HD22 ASN 1 HD22 ASN 1 0.293 14.331 -0.915 6 H GLU 2 H GLU 2 2.471 11.212 -5.938 7 HA GLU 2 HA GLU 2 4.271 10.292 -3.826 8 HB2 GLU 2 HB2 GLU 2 4.460 8.249 -5.378 9 HB3 GLU 2 HB3 GLU 2 2.944 8.497 -4.529 10 HG2 GLU 2 HG2 GLU 2 1.988 9.496 -6.561 11 HG3 GLU 2 HG3 GLU 2 3.501 9.176 -7.408 12 H LEU 3 H LEU 3 6.474 10.131 -4.112 13 HA LEU 3 HA LEU 3 7.474 11.746 -6.307 14 HB2 LEU 3 HB2 LEU 3 8.527 11.040 -3.617 15 HB3 LEU 3 HB3 LEU 3 9.673 11.438 -4.880 16 HG LEU 3 HG LEU 3 9.117 13.366 -3.432 17 HD11 LEU 3 HD11 LEU 3 8.203 13.666 -6.288 18 HD12 LEU 3 HD12 LEU 3 9.872 13.724 -5.723 19 HD13 LEU 3 HD13 LEU 3 8.729 14.967 -5.220 20 HD21 LEU 3 HD21 LEU 3 6.378 13.149 -4.661 21 HD22 LEU 3 HD22 LEU 3 6.941 14.422 -3.574 22 HD23 LEU 3 HD23 LEU 3 6.772 12.765 -2.987 23 H ARG 4 H ARG 4 9.241 11.195 -7.510 24 HA ARG 4 HA ARG 4 9.451 8.286 -8.010 25 HB2 ARG 4 HB2 ARG 4 8.330 9.888 -9.732 26 HB3 ARG 4 HB3 ARG 4 9.956 10.457 -10.051 27 HG2 ARG 4 HG2 ARG 4 9.712 8.901 -11.702 28 HG3 ARG 4 HG3 ARG 4 10.440 7.910 -10.439 29 HD2 ARG 4 HD2 ARG 4 8.202 7.111 -9.785 30 HD3 ARG 4 HD3 ARG 4 7.481 8.097 -11.058 31 HE ARG 4 HE ARG 4 8.901 6.717 -12.620 32 HH11 ARG 4 HH11 ARG 4 7.723 5.413 -9.570 33 HH12 ARG 4 HH12 ARG 4 7.768 3.773 -10.115 34 HH21 ARG 4 HH21 ARG 4 8.962 4.553 -13.323 35 HH22 ARG 4 HH22 ARG 4 8.467 3.279 -12.256 36 H CYS 5 H CYS 5 11.487 7.415 -7.902 37 HA CYS 5 HA CYS 5 13.637 9.045 -6.962 38 HB2 CYS 5 HB2 CYS 5 13.394 6.731 -6.196 39 HB3 CYS 5 HB3 CYS 5 13.634 6.140 -7.828 40 H GLY 6 H GLY 6 15.462 9.740 -7.978 41 HA2 GLY 6 HA2 GLY 6 15.244 10.245 -10.758 42 HA3 GLY 6 HA3 GLY 6 16.605 10.656 -9.730 43 H CYS 7 H CYS 7 16.723 7.668 -8.984 44 HA CYS 7 HA CYS 7 18.504 7.009 -11.148 45 HB2 CYS 7 HB2 CYS 7 19.306 6.486 -8.957 46 HB3 CYS 7 HB3 CYS 7 17.853 5.573 -8.576 47 HA PRO 8 HA PRO 8 15.196 4.832 -13.245 48 HB2 PRO 8 HB2 PRO 8 16.646 4.289 -15.466 49 HB3 PRO 8 HB3 PRO 8 15.903 5.863 -15.158 50 HG2 PRO 8 HG2 PRO 8 18.738 4.995 -14.788 51 HG3 PRO 8 HG3 PRO 8 18.112 6.527 -15.421 52 HD2 PRO 8 HD2 PRO 8 19.035 6.224 -12.882 53 HD3 PRO 8 HD3 PRO 8 17.775 7.396 -13.321 54 H ASP 9 H ASP 9 18.306 3.711 -12.340 55 HA ASP 9 HA ASP 9 17.845 0.966 -13.178 56 HB2 ASP 9 HB2 ASP 9 20.124 2.164 -13.134 57 HB3 ASP 9 HB3 ASP 9 20.067 1.966 -11.389 58 H CYS 10 H CYS 10 17.241 2.981 -10.537 59 HA CYS 10 HA CYS 10 17.140 0.856 -8.563 60 HB2 CYS 10 HB2 CYS 10 18.084 2.875 -7.771 61 HB3 CYS 10 HB3 CYS 10 16.768 3.833 -8.438 62 H HIS 11 H HIS 11 15.319 0.222 -7.470 63 HA HIS 11 HA HIS 11 12.746 1.127 -8.576 64 HB2 HIS 11 HB2 HIS 11 13.562 -1.639 -7.683 65 HB3 HIS 11 HB3 HIS 11 11.882 -1.159 -7.853 66 HD2 HIS 11 HD2 HIS 11 14.957 -0.944 -10.357 67 HE1 HIS 11 HE1 HIS 11 11.547 -2.462 -12.368 68 HE2 HIS 11 HE2 HIS 11 14.028 -2.061 -12.489 69 H CYS 12 H CYS 12 12.516 2.699 -6.992 70 HA CYS 12 HA CYS 12 11.540 1.662 -4.467 71 HB2 CYS 12 HB2 CYS 12 13.926 3.431 -4.707 72 HB3 CYS 12 HB3 CYS 12 12.804 3.746 -3.396 73 H LYS 13 H LYS 13 9.955 2.862 -3.603 74 HA LYS 13 HA LYS 13 8.938 5.039 -5.236 75 HB2 LYS 13 HB2 LYS 13 7.700 3.517 -2.960 76 HB3 LYS 13 HB3 LYS 13 6.910 4.792 -3.875 77 HG2 LYS 13 HG2 LYS 13 7.023 3.456 -5.878 78 HG3 LYS 13 HG3 LYS 13 7.876 2.184 -4.994 79 HD2 LYS 13 HD2 LYS 13 5.980 2.009 -3.471 80 HD3 LYS 13 HD3 LYS 13 5.121 3.221 -4.420 81 HE2 LYS 13 HE2 LYS 13 5.217 1.748 -6.373 82 HE3 LYS 13 HE3 LYS 13 6.069 0.536 -5.415 83 HZ1 LYS 13 HZ1 LYS 13 3.742 -0.002 -5.525 84 HZ2 LYS 13 HZ2 LYS 13 3.311 1.528 -4.964 85 HZ3 LYS 13 HZ3 LYS 13 4.116 0.457 -3.939 86 H VAL 14 H VAL 14 9.474 6.941 -4.674 87 HA VAL 14 HA VAL 14 10.548 7.464 -2.055 88 HB VAL 14 HB VAL 14 10.117 9.529 -4.185 89 HG11 VAL 14 HG11 VAL 14 10.848 10.331 -2.042 90 HG12 VAL 14 HG12 VAL 14 12.176 10.441 -3.205 91 HG13 VAL 14 HG13 VAL 14 12.152 9.144 -2.014 92 HG21 VAL 14 HG21 VAL 14 12.368 7.541 -4.020 93 HG22 VAL 14 HG22 VAL 14 12.340 8.960 -5.067 94 HG23 VAL 14 HG23 VAL 14 11.166 7.663 -5.303 95 H ASP 15 H ASP 15 9.547 8.391 -0.453 96 HA ASP 15 HA ASP 15 6.743 9.039 -0.671 97 HB2 ASP 15 HB2 ASP 15 8.687 8.930 1.634 98 HB3 ASP 15 HB3 ASP 15 7.016 9.446 1.817 99 HA PRO 16 HA PRO 16 7.389 13.412 -1.160 100 HB2 PRO 16 HB2 PRO 16 5.071 14.332 -0.037 101 HB3 PRO 16 HB3 PRO 16 5.144 13.624 -1.654 102 HG2 PRO 16 HG2 PRO 16 4.332 12.350 0.934 103 HG3 PRO 16 HG3 PRO 16 3.566 12.226 -0.660 104 HD2 PRO 16 HD2 PRO 16 5.153 10.283 0.298 105 HD3 PRO 16 HD3 PRO 16 5.128 10.696 -1.429 106 H GLU 17 H GLU 17 6.920 11.866 1.836 107 HA GLU 17 HA GLU 17 7.544 14.240 3.399 108 HB2 GLU 17 HB2 GLU 17 7.064 12.762 5.333 109 HB3 GLU 17 HB3 GLU 17 5.725 12.902 4.202 110 HG2 GLU 17 HG2 GLU 17 6.976 10.723 3.225 111 HG3 GLU 17 HG3 GLU 17 7.335 10.564 4.941 112 H ARG 18 H ARG 18 9.181 11.653 1.941 113 HA ARG 18 HA ARG 18 11.577 12.255 3.492 114 HB2 ARG 18 HB2 ARG 18 10.402 9.484 3.197 115 HB3 ARG 18 HB3 ARG 18 12.106 9.736 3.541 116 HG2 ARG 18 HG2 ARG 18 11.515 10.915 5.612 117 HG3 ARG 18 HG3 ARG 18 9.806 10.666 5.263 118 HD2 ARG 18 HD2 ARG 18 10.084 8.261 5.438 119 HD3 ARG 18 HD3 ARG 18 11.823 8.445 5.650 120 HE ARG 18 HE ARG 18 10.560 9.914 7.650 121 HH11 ARG 18 HH11 ARG 18 10.830 6.557 6.664 122 HH12 ARG 18 HH12 ARG 18 10.751 5.935 8.273 123 HH21 ARG 18 HH21 ARG 18 10.444 9.092 9.803 124 HH22 ARG 18 HH22 ARG 18 10.531 7.381 10.067 125 H VAL 19 H VAL 19 11.040 13.168 0.961 126 HA VAL 19 HA VAL 19 12.479 11.420 -0.885 127 HB VAL 19 HB VAL 19 10.542 12.335 -1.974 128 HG11 VAL 19 HG11 VAL 19 10.091 14.748 -2.087 129 HG12 VAL 19 HG12 VAL 19 11.442 15.039 -0.991 130 HG13 VAL 19 HG13 VAL 19 10.032 14.132 -0.435 131 HG21 VAL 19 HG21 VAL 19 11.454 13.689 -3.767 132 HG22 VAL 19 HG22 VAL 19 12.552 12.370 -3.359 133 HG23 VAL 19 HG23 VAL 19 12.901 14.010 -2.814 134 H PHE 20 H PHE 20 14.590 11.517 -0.961 135 HA PHE 20 HA PHE 20 16.060 13.760 0.002 136 HB2 PHE 20 HB2 PHE 20 16.777 11.156 -1.288 137 HB3 PHE 20 HB3 PHE 20 17.992 12.409 -1.070 138 HD1 PHE 20 HD1 PHE 20 15.577 10.262 0.740 139 HD2 PHE 20 HD2 PHE 20 19.009 12.757 0.987 140 HE1 PHE 20 HE1 PHE 20 15.945 9.521 3.059 141 HE2 PHE 20 HE2 PHE 20 19.388 12.028 3.289 142 HZ PHE 20 HZ PHE 20 17.855 10.404 4.338 143 H ASN 21 H ASN 21 16.231 15.555 -1.089 144 HA ASN 21 HA ASN 21 15.980 15.549 -3.986 145 HB2 ASN 21 HB2 ASN 21 16.188 17.850 -2.045 146 HB3 ASN 21 HB3 ASN 21 15.912 17.999 -3.771 147 HD21 ASN 21 HD21 ASN 21 14.128 15.811 -4.042 148 HD22 ASN 21 HD22 ASN 21 12.644 16.260 -3.279 149 H HIS 22 H HIS 22 17.489 16.282 -5.379 150 HA HIS 22 HA HIS 22 20.046 17.277 -4.432 151 HB2 HIS 22 HB2 HIS 22 20.396 14.858 -4.425 152 HB3 HIS 22 HB3 HIS 22 19.801 14.743 -6.069 153 HD2 HIS 22 HD2 HIS 22 23.046 15.757 -4.171 154 HE1 HIS 22 HE1 HIS 22 23.863 15.841 -8.330 155 HE2 HIS 22 HE2 HIS 22 24.842 15.966 -6.015 156 H ASP 23 H ASP 23 20.420 18.992 -5.661 157 HA ASP 23 HA ASP 23 20.484 20.435 -7.425 158 HB2 ASP 23 HB2 ASP 23 21.785 18.509 -8.404 159 HB3 ASP 23 HB3 ASP 23 20.297 17.940 -9.142 160 H GLY 24 H GLY 24 17.926 19.466 -6.274 161 HA2 GLY 24 HA2 GLY 24 15.753 20.243 -6.584 162 HA3 GLY 24 HA3 GLY 24 16.166 20.674 -8.235 163 H GLU 25 H GLU 25 17.158 17.545 -7.535 164 HA GLU 25 HA GLU 25 14.848 16.468 -8.980 165 HB2 GLU 25 HB2 GLU 25 17.454 16.249 -9.640 166 HB3 GLU 25 HB3 GLU 25 17.311 14.859 -8.574 167 HG2 GLU 25 HG2 GLU 25 15.720 13.827 -9.931 168 HG3 GLU 25 HG3 GLU 25 15.410 15.306 -10.836 169 H ALA 26 H ALA 26 14.094 14.320 -8.322 170 HA ALA 26 HA ALA 26 14.151 14.071 -5.405 171 HB1 ALA 26 HB1 ALA 26 11.959 14.372 -6.460 172 HB2 ALA 26 HB2 ALA 26 12.083 12.812 -5.644 173 HB3 ALA 26 HB3 ALA 26 12.215 12.901 -7.398 174 H TYR 27 H TYR 27 14.763 12.229 -4.387 175 HA TYR 27 HA TYR 27 15.444 9.856 -5.959 176 HB2 TYR 27 HB2 TYR 27 17.378 11.371 -4.192 177 HB3 TYR 27 HB3 TYR 27 17.655 9.716 -4.728 178 HD1 TYR 27 HD1 TYR 27 17.871 13.229 -5.573 179 HD2 TYR 27 HD2 TYR 27 17.941 9.291 -7.195 180 HE1 TYR 27 HE1 TYR 27 18.931 14.092 -7.622 181 HE2 TYR 27 HE2 TYR 27 19.006 10.142 -9.234 182 HH TYR 27 HH TYR 27 18.968 12.652 -10.407 183 H CYS 28 H CYS 28 15.672 7.910 -4.596 184 HA CYS 28 HA CYS 28 13.749 7.933 -2.487 185 HB2 CYS 28 HB2 CYS 28 14.099 5.581 -2.299 186 HB3 CYS 28 HB3 CYS 28 14.228 5.963 -4.010 187 H SER 29 H SER 29 17.207 7.995 -2.643 188 HA SER 29 HA SER 29 17.346 8.838 0.091 189 HB2 SER 29 HB2 SER 29 17.395 6.344 0.276 190 HB3 SER 29 HB3 SER 29 18.813 6.311 -0.759 191 HG SER 29 HG SER 29 18.625 6.817 1.883 192 H GLN 30 H GLN 30 19.596 9.486 0.622 193 HA GLN 30 HA GLN 30 20.648 11.123 -1.376 194 HB2 GLN 30 HB2 GLN 30 20.931 11.199 1.201 195 HB3 GLN 30 HB3 GLN 30 22.331 10.173 0.912 196 HG2 GLN 30 HG2 GLN 30 23.245 11.896 -0.592 197 HG3 GLN 30 HG3 GLN 30 21.859 12.918 -0.214 198 HE21 GLN 30 HE21 GLN 30 21.813 12.016 2.580 199 HE22 GLN 30 HE22 GLN 30 23.123 12.828 3.351 200 H ALA 31 H ALA 31 21.241 7.805 -0.641 201 HA ALA 31 HA ALA 31 23.726 7.334 -1.790 202 HB1 ALA 31 HB1 ALA 31 22.977 5.033 -2.091 203 HB2 ALA 31 HB2 ALA 31 21.298 5.540 -1.901 204 HB3 ALA 31 HB3 ALA 31 22.410 5.654 -0.538 205 H CYS 32 H CYS 32 20.515 7.293 -3.365 206 HA CYS 32 HA CYS 32 21.673 7.068 -5.984 207 HB2 CYS 32 HB2 CYS 32 18.868 7.383 -4.957 208 HB3 CYS 32 HB3 CYS 32 19.235 7.528 -6.669 209 H ALA 33 H ALA 33 20.751 9.586 -3.830 210 HA ALA 33 HA ALA 33 20.177 11.636 -5.622 211 HB1 ALA 33 HB1 ALA 33 21.527 11.863 -2.937 212 HB2 ALA 33 HB2 ALA 33 19.785 11.796 -3.207 213 HB3 ALA 33 HB3 ALA 33 20.720 13.163 -3.804 214 H GLU 34 H GLU 34 23.270 10.599 -4.212 215 HA GLU 34 HA GLU 34 24.742 12.478 -5.823 216 HB2 GLU 34 HB2 GLU 34 25.748 10.203 -4.125 217 HB3 GLU 34 HB3 GLU 34 26.724 11.493 -4.814 218 HG2 GLU 34 HG2 GLU 34 25.143 13.044 -3.482 219 HG3 GLU 34 HG3 GLU 34 24.762 11.585 -2.581 220 H GLN 35 H GLN 35 23.127 9.886 -6.689 221 HA GLN 35 HA GLN 35 23.129 8.465 -8.456 222 HB2 GLN 35 HB2 GLN 35 25.317 10.234 -9.537 223 HB3 GLN 35 HB3 GLN 35 24.198 9.236 -10.460 224 HG2 GLN 35 HG2 GLN 35 22.347 10.613 -9.820 225 HG3 GLN 35 HG3 GLN 35 23.364 11.540 -8.722 226 HE21 GLN 35 HE21 GLN 35 21.752 12.471 -10.905 227 HE22 GLN 35 HE22 GLN 35 22.819 13.265 -12.005 228 H HIS 36 H HIS 36 24.653 7.680 -6.280 229 HA HIS 36 HA HIS 36 26.180 6.149 -5.595 230 HB2 HIS 36 HB2 HIS 36 26.247 5.246 -8.470 231 HB3 HIS 36 HB3 HIS 36 26.684 4.291 -7.057 232 HD1 HIS 36 HD1 HIS 36 24.631 3.597 -5.471 233 HD2 HIS 36 HD2 HIS 36 23.631 5.201 -9.167 234 HE1 HIS 36 HE1 HIS 36 22.221 3.011 -5.833 235 HA PRO 37 HA PRO 37 29.642 8.689 -7.174 236 HB2 PRO 37 HB2 PRO 37 30.527 9.521 -4.758 237 HB3 PRO 37 HB3 PRO 37 29.209 10.323 -5.618 238 HG2 PRO 37 HG2 PRO 37 29.104 8.442 -3.317 239 HG3 PRO 37 HG3 PRO 37 28.071 9.834 -3.680 240 HD2 PRO 37 HD2 PRO 37 27.390 7.179 -4.138 241 HD3 PRO 37 HD3 PRO 37 26.636 8.572 -4.931 242 H ASN 38 H ASN 38 29.616 6.522 -4.382 243 HA ASN 38 HA ASN 38 32.346 5.657 -5.058 244 HB2 ASN 38 HB2 ASN 38 30.764 5.336 -2.492 245 HB3 ASN 38 HB3 ASN 38 32.371 4.677 -2.761 246 HD21 ASN 38 HD21 ASN 38 33.360 6.961 -4.225 247 HD22 ASN 38 HD22 ASN 38 33.561 8.233 -3.076 248 H GLY 39 H GLY 39 29.662 4.900 -6.234 249 HA2 GLY 39 HA2 GLY 39 28.805 3.014 -7.204 250 HA3 GLY 39 HA3 GLY 39 30.188 2.130 -6.587 251 H GLU 40 H GLU 40 28.524 3.810 -4.162 252 HA GLU 40 HA GLU 40 27.619 1.322 -3.063 253 HB2 GLU 40 HB2 GLU 40 28.632 2.978 -1.580 254 HB3 GLU 40 HB3 GLU 40 27.365 4.129 -1.987 255 HG2 GLU 40 HG2 GLU 40 25.696 2.736 -0.947 256 HG3 GLU 40 HG3 GLU 40 26.895 1.486 -0.634 257 HA PRO 41 HA PRO 41 23.539 1.580 -4.776 258 HB2 PRO 41 HB2 PRO 41 22.499 -0.494 -3.375 259 HB3 PRO 41 HB3 PRO 41 23.624 -0.726 -4.718 260 HG2 PRO 41 HG2 PRO 41 24.175 -0.734 -1.770 261 HG3 PRO 41 HG3 PRO 41 24.759 -1.851 -3.016 262 HD2 PRO 41 HD2 PRO 41 26.277 0.167 -2.051 263 HD3 PRO 41 HD3 PRO 41 26.401 -0.392 -3.732 264 H CYS 42 H CYS 42 21.200 1.547 -3.861 265 HA CYS 42 HA CYS 42 21.039 3.513 -1.781 266 HB2 CYS 42 HB2 CYS 42 18.681 3.580 -2.239 267 HB3 CYS 42 HB3 CYS 42 19.493 3.425 -3.787 268 HA PRO 43 HA PRO 43 20.507 0.972 1.766 269 HB2 PRO 43 HB2 PRO 43 18.575 2.261 3.167 270 HB3 PRO 43 HB3 PRO 43 20.208 2.914 2.945 271 HG2 PRO 43 HG2 PRO 43 17.700 3.520 1.427 272 HG3 PRO 43 HG3 PRO 43 18.880 4.643 2.131 273 HD2 PRO 43 HD2 PRO 43 18.927 4.036 -0.455 274 HD3 PRO 43 HD3 PRO 43 20.427 4.268 0.460 275 H ALA 44 H ALA 44 18.818 0.110 -0.552 276 HA ALA 44 HA ALA 44 16.587 -1.154 0.912 277 HB1 ALA 44 HB1 ALA 44 15.873 0.142 -1.032 278 HB2 ALA 44 HB2 ALA 44 15.607 -1.581 -1.305 279 HB3 ALA 44 HB3 ALA 44 16.980 -0.769 -2.058 280 HA PRO 45 HA PRO 45 19.215 -4.661 0.810 281 HB2 PRO 45 HB2 PRO 45 17.508 -6.546 1.740 282 HB3 PRO 45 HB3 PRO 45 18.200 -5.289 2.771 283 HG2 PRO 45 HG2 PRO 45 15.496 -5.398 1.483 284 HG3 PRO 45 HG3 PRO 45 15.929 -4.908 3.131 285 HD2 PRO 45 HD2 PRO 45 15.435 -3.126 1.140 286 HD3 PRO 45 HD3 PRO 45 16.568 -2.796 2.467 287 H ASP 46 H ASP 46 16.145 -4.760 -0.870 288 HA ASP 46 HA ASP 46 17.030 -7.130 -2.351 289 HB2 ASP 46 HB2 ASP 46 14.745 -7.246 -3.211 290 HB3 ASP 46 HB3 ASP 46 14.737 -7.150 -1.454 291 H CYS 47 H CYS 47 17.241 -3.854 -2.612 292 HA CYS 47 HA CYS 47 17.004 -3.796 -5.509 293 HB2 CYS 47 HB2 CYS 47 16.250 -1.947 -3.846 294 HB3 CYS 47 HB3 CYS 47 17.958 -1.527 -3.803 295 H HIS 48 H HIS 48 18.790 -3.454 -6.880 296 HA HIS 48 HA HIS 48 21.416 -3.534 -5.601 297 HB2 HIS 48 HB2 HIS 48 20.405 -5.549 -7.604 298 HB3 HIS 48 HB3 HIS 48 22.121 -5.286 -7.321 299 HD1 HIS 48 HD1 HIS 48 23.134 -6.326 -5.237 300 HD2 HIS 48 HD2 HIS 48 19.000 -6.697 -5.389 301 HE1 HIS 48 HE1 HIS 48 22.506 -7.872 -3.343 302 HE2 HIS 48 HE2 HIS 48 20.034 -8.205 -3.573 303 H CYS 49 H CYS 49 20.409 -1.278 -6.682 304 HA CYS 49 HA CYS 49 21.478 -1.023 -9.367 305 HB2 CYS 49 HB2 CYS 49 20.698 1.329 -9.159 306 HB3 CYS 49 HB3 CYS 49 19.418 0.145 -8.918 307 H GLU 50 H GLU 50 23.405 -0.299 -9.822 308 HA GLU 50 HA GLU 50 24.903 1.513 -8.242 309 HB2 GLU 50 HB2 GLU 50 26.764 -0.062 -7.661 310 HB3 GLU 50 HB3 GLU 50 25.284 -0.321 -6.750 311 HG2 GLU 50 HG2 GLU 50 24.709 -2.184 -8.264 312 HG3 GLU 50 HG3 GLU 50 26.244 -1.948 -9.093 313 H ARG 51 H ARG 51 24.715 -0.895 -10.747 314 HA ARG 51 HA ARG 51 26.819 0.525 -12.209 315 HB2 ARG 51 HB2 ARG 51 25.792 -2.287 -12.531 316 HB3 ARG 51 HB3 ARG 51 26.957 -1.526 -13.603 317 HG2 ARG 51 HG2 ARG 51 28.510 -1.282 -11.733 318 HG3 ARG 51 HG3 ARG 51 27.342 -2.070 -10.672 319 HD2 ARG 51 HD2 ARG 51 27.409 -4.053 -12.088 320 HD3 ARG 51 HD3 ARG 51 28.602 -3.269 -13.121 321 HE ARG 51 HE ARG 51 29.622 -3.226 -10.551 322 HH11 ARG 51 HH11 ARG 51 28.666 -5.643 -12.901 323 HH12 ARG 51 HH12 ARG 51 29.820 -6.815 -12.363 324 HH21 ARG 51 HH21 ARG 51 31.143 -4.769 -9.824 325 HH22 ARG 51 HH22 ARG 51 31.242 -6.311 -10.603 326 H SER 52 H SER 52 24.934 2.051 -12.491 327 HA SER 52 HA SER 52 23.179 1.223 -14.661 328 HB2 SER 52 HB2 SER 52 22.224 2.505 -12.747 329 HB3 SER 52 HB3 SER 52 23.276 3.856 -13.162 330 HG SER 52 HG SER 52 21.117 2.779 -14.651 331 H GLY 53 H GLY 53 23.578 1.736 -16.717 332 HA2 GLY 53 HA2 GLY 53 26.043 2.940 -17.453 333 HA3 GLY 53 HA3 GLY 53 24.739 2.494 -18.546 334 H LYS 54 H LYS 54 22.733 4.081 -17.280 335 HA LYS 54 HA LYS 54 23.723 6.773 -17.912 336 HB2 LYS 54 HB2 LYS 54 21.043 5.577 -18.638 337 HB3 LYS 54 HB3 LYS 54 21.496 7.257 -18.883 338 HG2 LYS 54 HG2 LYS 54 23.240 6.578 -20.445 339 HG3 LYS 54 HG3 LYS 54 22.837 4.883 -20.175 340 HD2 LYS 54 HD2 LYS 54 21.849 5.784 -22.264 341 HD3 LYS 54 HD3 LYS 54 20.628 5.218 -21.123 342 HE2 LYS 54 HE2 LYS 54 20.226 7.509 -20.387 343 HE3 LYS 54 HE3 LYS 54 21.487 8.093 -21.469 344 HZ1 LYS 54 HZ1 LYS 54 20.175 7.347 -23.344 345 HZ2 LYS 54 HZ2 LYS 54 19.271 8.407 -22.382 346 HZ3 LYS 54 HZ3 LYS 54 18.982 6.746 -22.306 347 H VAL 55 H VAL 55 23.961 7.428 -15.785 348 HA VAL 55 HA VAL 55 21.444 7.644 -14.273 349 HB VAL 55 HB VAL 55 23.082 5.996 -13.282 350 HG11 VAL 55 HG11 VAL 55 25.152 7.148 -13.785 351 HG12 VAL 55 HG12 VAL 55 25.009 6.860 -12.053 352 HG13 VAL 55 HG13 VAL 55 24.700 8.468 -12.708 353 HG21 VAL 55 HG21 VAL 55 22.345 8.381 -11.588 354 HG22 VAL 55 HG22 VAL 55 22.810 6.797 -10.968 355 HG23 VAL 55 HG23 VAL 55 21.333 6.974 -11.915 356 H GLY 56 H GLY 56 24.049 9.259 -15.708 357 HA2 GLY 56 HA2 GLY 56 23.885 11.606 -13.993 358 HA3 GLY 56 HA3 GLY 56 24.972 11.387 -15.360 359 H GLY 57 H GLY 57 23.422 13.721 -14.868 360 HA2 GLY 57 HA2 GLY 57 21.514 13.540 -17.115 361 HA3 GLY 57 HA3 GLY 57 21.204 14.508 -15.684 362 H ARG 58 H ARG 58 24.320 14.307 -17.319 363 HA ARG 58 HA ARG 58 23.827 16.958 -18.453 364 HB2 ARG 58 HB2 ARG 58 25.071 17.253 -16.318 365 HB3 ARG 58 HB3 ARG 58 26.369 16.259 -16.972 366 HG2 ARG 58 HG2 ARG 58 26.747 17.891 -18.750 367 HG3 ARG 58 HG3 ARG 58 25.421 18.876 -18.137 368 HD2 ARG 58 HD2 ARG 58 28.047 18.273 -16.788 369 HD3 ARG 58 HD3 ARG 58 27.460 19.838 -17.356 370 HE ARG 58 HE ARG 58 25.990 18.423 -15.247 371 HH11 ARG 58 HH11 ARG 58 27.960 21.150 -16.237 372 HH12 ARG 58 HH12 ARG 58 27.621 22.067 -14.813 373 HH21 ARG 58 HH21 ARG 58 25.535 19.636 -13.364 374 HH22 ARG 58 HH22 ARG 58 26.244 21.195 -13.163 375 H ASP 59 H ASP 59 23.785 16.379 -20.513 376 HA ASP 59 HA ASP 59 26.302 15.594 -21.706 377 HB2 ASP 59 HB2 ASP 59 24.980 13.453 -21.201 378 HB3 ASP 59 HB3 ASP 59 23.815 14.014 -22.395 379 H ILE 60 H ILE 60 25.532 15.302 -24.293 380 HA ILE 60 HA ILE 60 24.633 17.980 -24.893 381 HB ILE 60 HB ILE 60 25.437 15.783 -26.817 382 HG12 ILE 60 HG12 ILE 60 27.282 16.259 -25.288 383 HG13 ILE 60 HG13 ILE 60 27.643 16.886 -26.891 384 HG21 ILE 60 HG21 ILE 60 24.142 17.570 -27.855 385 HG22 ILE 60 HG22 ILE 60 25.819 17.614 -28.397 386 HG23 ILE 60 HG23 ILE 60 25.251 18.772 -27.194 387 HD11 ILE 60 HD11 ILE 60 28.337 18.441 -25.173 388 HD12 ILE 60 HD12 ILE 60 26.699 18.491 -24.527 389 HD13 ILE 60 HD13 ILE 60 27.031 19.133 -26.135 390 H THR 61 H THR 61 22.483 17.582 -24.032 391 HA THR 61 HA THR 61 20.769 15.914 -25.680 392 HB THR 61 HB THR 61 18.998 16.732 -23.991 393 HG1 THR 61 HG1 THR 61 20.283 18.475 -23.163 394 HG21 THR 61 HG21 THR 61 19.961 14.478 -23.950 395 HG22 THR 61 HG22 THR 61 19.730 15.089 -22.312 396 HG23 THR 61 HG23 THR 61 21.341 15.078 -23.031 397 H ASN 62 H ASN 62 20.821 17.106 -27.587 398 HA ASN 62 HA ASN 62 19.327 19.636 -27.488 399 HB2 ASN 62 HB2 ASN 62 21.682 18.941 -29.261 400 HB3 ASN 62 HB3 ASN 62 20.651 20.343 -29.507 401 HD21 ASN 62 HD21 ASN 62 20.362 20.869 -26.645 402 HD22 ASN 62 HD22 ASN 62 21.870 21.526 -26.127 403 H ASN 63 H ASN 63 18.673 20.117 -29.942 404 HA ASN 63 HA ASN 63 17.552 17.622 -31.018 405 HB2 ASN 63 HB2 ASN 63 16.203 20.317 -30.742 406 HB3 ASN 63 HB3 ASN 63 15.566 19.006 -31.726 407 HD21 ASN 63 HD21 ASN 63 14.679 17.215 -30.730 408 HD22 ASN 63 HD22 ASN 63 14.269 17.202 -29.049 409 H GLN 64 H GLN 64 18.101 17.243 -33.054 410 HA GLN 64 HA GLN 64 19.219 19.443 -34.616 411 HB2 GLN 64 HB2 GLN 64 20.048 17.751 -36.173 412 HB3 GLN 64 HB3 GLN 64 20.566 17.411 -34.532 413 HG2 GLN 64 HG2 GLN 64 18.948 15.640 -34.337 414 HG3 GLN 64 HG3 GLN 64 18.264 16.047 -35.913 415 HE21 GLN 64 HE21 GLN 64 19.470 13.537 -34.961 416 HE22 GLN 64 HE22 GLN 64 20.761 13.194 -36.053 417 H LEU 65 H LEU 65 16.355 17.872 -34.162 418 HA LEU 65 HA LEU 65 15.367 18.547 -36.838 419 HB2 LEU 65 HB2 LEU 65 13.928 17.126 -34.599 420 HB3 LEU 65 HB3 LEU 65 13.368 17.318 -36.247 421 HG LEU 65 HG LEU 65 15.719 15.650 -35.350 422 HD11 LEU 65 HD11 LEU 65 13.034 14.874 -36.469 423 HD12 LEU 65 HD12 LEU 65 13.575 14.656 -34.805 424 HD13 LEU 65 HD13 LEU 65 14.360 13.770 -36.111 425 HD21 LEU 65 HD21 LEU 65 15.852 14.923 -37.685 426 HD22 LEU 65 HD22 LEU 65 16.161 16.652 -37.524 427 HD23 LEU 65 HD23 LEU 65 14.599 16.086 -38.116 428 H ASP 66 H ASP 66 14.810 20.595 -36.987 429 HA ASP 66 HA ASP 66 14.029 22.116 -34.661 430 HB2 ASP 66 HB2 ASP 66 14.404 22.902 -37.548 431 HB3 ASP 66 HB3 ASP 66 13.874 24.026 -36.304 432 H GLU 67 H GLU 67 12.062 22.193 -33.942 433 HA GLU 67 HA GLU 67 9.844 22.316 -35.859 434 HB2 GLU 67 HB2 GLU 67 9.885 20.762 -33.267 435 HB3 GLU 67 HB3 GLU 67 8.458 21.023 -34.255 436 HG2 GLU 67 HG2 GLU 67 9.565 19.808 -36.097 437 HG3 GLU 67 HG3 GLU 67 10.920 19.476 -35.017 438 H ALA 68 H ALA 68 7.947 23.384 -35.002 439 HA ALA 68 HA ALA 68 8.668 25.523 -33.159 440 HB1 ALA 68 HB1 ALA 68 6.210 25.152 -34.875 441 HB2 ALA 68 HB2 ALA 68 7.613 26.145 -35.276 442 HB3 ALA 68 HB3 ALA 68 6.584 26.581 -33.911 443 H LEU 69 H LEU 69 7.541 22.527 -32.908 444 HA LEU 69 HA LEU 69 5.402 22.988 -31.026 445 HB2 LEU 69 HB2 LEU 69 6.749 20.434 -31.898 446 HB3 LEU 69 HB3 LEU 69 5.368 20.516 -30.825 447 HG LEU 69 HG LEU 69 5.389 21.424 -33.703 448 HD11 LEU 69 HD11 LEU 69 3.980 19.472 -34.108 449 HD12 LEU 69 HD12 LEU 69 4.181 18.977 -32.426 450 HD13 LEU 69 HD13 LEU 69 5.572 19.008 -33.511 451 HD21 LEU 69 HD21 LEU 69 2.952 21.588 -33.415 452 HD22 LEU 69 HD22 LEU 69 3.816 22.706 -32.363 453 HD23 LEU 69 HD23 LEU 69 3.139 21.218 -31.701 454 H GLU 70 H GLU 70 6.376 24.093 -29.378 455 HA GLU 70 HA GLU 70 8.125 22.467 -27.648 456 HB2 GLU 70 HB2 GLU 70 9.286 24.478 -28.527 457 HB3 GLU 70 HB3 GLU 70 8.009 25.491 -27.879 458 HG2 GLU 70 HG2 GLU 70 9.695 25.716 -26.318 459 HG3 GLU 70 HG3 GLU 70 8.653 24.490 -25.607 460 H GLU 71 H GLU 71 5.618 24.941 -27.810 461 HA GLU 71 HA GLU 71 3.961 25.610 -26.451 462 HB2 GLU 71 HB2 GLU 71 3.848 22.636 -25.951 463 HB3 GLU 71 HB3 GLU 71 2.638 23.754 -25.341 464 HG2 GLU 71 HG2 GLU 71 2.468 24.483 -27.848 465 HG3 GLU 71 HG3 GLU 71 3.197 22.907 -28.147 466 H THR 72 H THR 72 6.556 25.826 -25.267 467 HA THR 72 HA THR 72 6.404 25.097 -22.527 468 HB THR 72 HB THR 72 8.113 27.099 -22.402 469 HG1 THR 72 HG1 THR 72 9.181 27.301 -24.460 470 HG21 THR 72 HG21 THR 72 9.905 25.506 -23.118 471 HG22 THR 72 HG22 THR 72 8.636 24.418 -23.688 472 HG23 THR 72 HG23 THR 72 8.747 24.826 -21.979 473 H PHE 73 H PHE 73 4.875 25.819 -21.270 474 HA PHE 73 HA PHE 73 3.445 28.202 -21.787 475 HB2 PHE 73 HB2 PHE 73 2.264 27.688 -19.653 476 HB3 PHE 73 HB3 PHE 73 2.283 26.348 -20.787 477 HD1 PHE 73 HD1 PHE 73 3.075 27.438 -17.476 478 HD2 PHE 73 HD2 PHE 73 3.951 24.467 -20.394 479 HE1 PHE 73 HE1 PHE 73 3.978 25.980 -15.717 480 HE2 PHE 73 HE2 PHE 73 4.860 23.005 -18.638 481 HZ PHE 73 HZ PHE 73 4.875 23.760 -16.296 482 HA PRO 74 HA PRO 74 6.137 30.852 -19.374 483 HB2 PRO 74 HB2 PRO 74 5.111 33.175 -20.264 484 HB3 PRO 74 HB3 PRO 74 6.171 32.196 -21.280 485 HG2 PRO 74 HG2 PRO 74 3.200 32.465 -21.340 486 HG3 PRO 74 HG3 PRO 74 4.342 32.332 -22.688 487 HD2 PRO 74 HD2 PRO 74 2.825 30.247 -21.685 488 HD3 PRO 74 HD3 PRO 74 4.321 30.054 -22.621 489 H ALA 75 H ALA 75 4.859 33.354 -18.569 490 HA ALA 75 HA ALA 75 3.501 32.502 -16.257 491 HB1 ALA 75 HB1 ALA 75 3.504 35.253 -17.508 492 HB2 ALA 75 HB2 ALA 75 4.724 34.636 -16.396 493 HB3 ALA 75 HB3 ALA 75 3.065 34.863 -15.846 494 H SER 76 H SER 76 2.393 33.751 -19.362 495 HA SER 76 HA SER 76 -0.254 32.657 -18.794 496 HB2 SER 76 HB2 SER 76 -0.299 35.123 -18.355 497 HB3 SER 76 HB3 SER 76 0.200 35.393 -20.024 498 HG SER 76 HG SER 76 -1.969 33.737 -19.800 499 H ASP 77 H ASP 77 -1.070 31.533 -20.487 500 HA ASP 77 HA ASP 77 0.592 31.091 -22.772 501 HB2 ASP 77 HB2 ASP 77 -1.050 29.441 -23.458 502 HB3 ASP 77 HB3 ASP 77 -0.777 29.284 -21.728 503 HA PRO 78 HA PRO 78 -0.908 34.098 -25.564 504 HB2 PRO 78 HB2 PRO 78 -0.771 32.775 -27.944 505 HB3 PRO 78 HB3 PRO 78 0.648 33.380 -27.081 506 HG2 PRO 78 HG2 PRO 78 -0.503 30.618 -27.129 507 HG3 PRO 78 HG3 PRO 78 1.193 31.122 -27.251 508 HD2 PRO 78 HD2 PRO 78 0.153 30.195 -24.954 509 HD3 PRO 78 HD3 PRO 78 1.381 31.476 -24.973 510 H ILE 79 H ILE 79 -2.666 34.792 -26.722 511 HA ILE 79 HA ILE 79 -5.111 33.298 -26.347 512 HB ILE 79 HB ILE 79 -4.686 35.993 -27.659 513 HG12 ILE 79 HG12 ILE 79 -3.942 35.991 -25.306 514 HG13 ILE 79 HG13 ILE 79 -5.380 36.980 -25.532 515 HG21 ILE 79 HG21 ILE 79 -7.200 34.693 -26.622 516 HG22 ILE 79 HG22 ILE 79 -6.785 34.971 -28.314 517 HG23 ILE 79 HG23 ILE 79 -7.077 36.340 -27.241 518 HD11 ILE 79 HD11 ILE 79 -5.297 34.198 -24.389 519 HD12 ILE 79 HD12 ILE 79 -6.753 35.162 -24.634 520 HD13 ILE 79 HD13 ILE 79 -5.523 35.696 -23.488 521 H SER 80 H SER 80 -5.903 31.943 -27.799 522 HA SER 80 HA SER 80 -4.924 31.950 -30.523 523 HB2 SER 80 HB2 SER 80 -6.885 30.125 -29.114 524 HB3 SER 80 HB3 SER 80 -6.212 29.852 -30.723 525 HG SER 80 HG SER 80 -4.098 30.097 -29.458 526 HA PRO 81 HA PRO 81 -8.578 34.020 -32.033 527 HB2 PRO 81 HB2 PRO 81 -8.237 33.739 -34.647 528 HB3 PRO 81 HB3 PRO 81 -7.047 34.622 -33.683 529 HG2 PRO 81 HG2 PRO 81 -6.899 31.865 -34.811 530 HG3 PRO 81 HG3 PRO 81 -5.614 33.068 -34.615 531 HD2 PRO 81 HD2 PRO 81 -6.175 30.904 -32.885 532 HD3 PRO 81 HD3 PRO 81 -5.090 32.269 -32.553 Start of MODEL 5 1 HA ASN 1 HA ASN 1 2.454 -3.203 -3.176 2 HB2 ASN 1 HB2 ASN 1 2.099 -2.210 -6.002 3 HB3 ASN 1 HB3 ASN 1 3.424 -3.267 -5.533 4 HD21 ASN 1 HD21 ASN 1 2.711 -4.901 -6.883 5 HD22 ASN 1 HD22 ASN 1 1.320 -5.861 -6.516 6 H GLU 2 H GLU 2 4.766 -2.998 -3.361 7 HA GLU 2 HA GLU 2 5.607 -0.352 -2.620 8 HB2 GLU 2 HB2 GLU 2 7.120 -2.954 -2.791 9 HB3 GLU 2 HB3 GLU 2 7.864 -1.434 -2.330 10 HG2 GLU 2 HG2 GLU 2 7.413 -2.519 -0.319 11 HG3 GLU 2 HG3 GLU 2 6.129 -1.325 -0.481 12 H LEU 3 H LEU 3 7.591 0.553 -3.472 13 HA LEU 3 HA LEU 3 7.545 0.451 -6.383 14 HB2 LEU 3 HB2 LEU 3 8.276 2.535 -4.383 15 HB3 LEU 3 HB3 LEU 3 9.078 2.566 -5.938 16 HG LEU 3 HG LEU 3 7.124 4.082 -5.808 17 HD11 LEU 3 HD11 LEU 3 6.123 3.430 -7.925 18 HD12 LEU 3 HD12 LEU 3 6.810 1.815 -7.766 19 HD13 LEU 3 HD13 LEU 3 7.872 3.210 -7.959 20 HD21 LEU 3 HD21 LEU 3 5.738 2.707 -4.326 21 HD22 LEU 3 HD22 LEU 3 5.534 1.534 -5.626 22 HD23 LEU 3 HD23 LEU 3 4.879 3.163 -5.797 23 H ARG 4 H ARG 4 9.455 0.419 -7.523 24 HA ARG 4 HA ARG 4 11.582 -1.036 -6.112 25 HB2 ARG 4 HB2 ARG 4 10.729 -1.065 -9.010 26 HB3 ARG 4 HB3 ARG 4 12.341 -1.576 -8.549 27 HG2 ARG 4 HG2 ARG 4 11.223 -3.584 -8.626 28 HG3 ARG 4 HG3 ARG 4 11.078 -3.177 -6.920 29 HD2 ARG 4 HD2 ARG 4 8.823 -2.309 -7.321 30 HD3 ARG 4 HD3 ARG 4 8.975 -2.691 -9.034 31 HE ARG 4 HE ARG 4 9.427 -4.968 -7.384 32 HH11 ARG 4 HH11 ARG 4 6.929 -2.988 -8.834 33 HH12 ARG 4 HH12 ARG 4 5.729 -4.231 -8.790 34 HH21 ARG 4 HH21 ARG 4 7.835 -6.631 -7.322 35 HH22 ARG 4 HH22 ARG 4 6.244 -6.306 -7.916 36 H CYS 5 H CYS 5 13.687 -0.354 -6.252 37 HA CYS 5 HA CYS 5 14.000 2.445 -6.726 38 HB2 CYS 5 HB2 CYS 5 15.127 1.374 -4.852 39 HB3 CYS 5 HB3 CYS 5 16.012 0.331 -5.949 40 H GLY 6 H GLY 6 15.323 3.436 -8.249 41 HA2 GLY 6 HA2 GLY 6 15.337 2.153 -10.797 42 HA3 GLY 6 HA3 GLY 6 15.952 3.757 -10.432 43 H CYS 7 H CYS 7 17.656 2.418 -8.258 44 HA CYS 7 HA CYS 7 19.914 2.000 -9.991 45 HB2 CYS 7 HB2 CYS 7 20.280 3.303 -7.990 46 HB3 CYS 7 HB3 CYS 7 19.676 1.998 -6.977 47 HA PRO 8 HA PRO 8 19.106 -2.407 -10.073 48 HB2 PRO 8 HB2 PRO 8 21.207 -3.001 -11.707 49 HB3 PRO 8 HB3 PRO 8 19.662 -2.374 -12.290 50 HG2 PRO 8 HG2 PRO 8 22.229 -0.923 -11.791 51 HG3 PRO 8 HG3 PRO 8 21.091 -0.751 -13.140 52 HD2 PRO 8 HD2 PRO 8 21.174 0.985 -11.076 53 HD3 PRO 8 HD3 PRO 8 19.663 0.592 -11.922 54 H ASP 9 H ASP 9 22.010 -0.783 -9.089 55 HA ASP 9 HA ASP 9 23.280 -3.196 -8.064 56 HB2 ASP 9 HB2 ASP 9 24.060 -0.274 -7.912 57 HB3 ASP 9 HB3 ASP 9 25.007 -1.577 -7.208 58 H CYS 10 H CYS 10 20.935 -1.080 -7.060 59 HA CYS 10 HA CYS 10 21.689 -1.115 -4.256 60 HB2 CYS 10 HB2 CYS 10 21.016 0.999 -5.173 61 HB3 CYS 10 HB3 CYS 10 19.502 0.306 -5.746 62 H HIS 11 H HIS 11 20.469 -2.000 -2.643 63 HA HIS 11 HA HIS 11 18.195 -3.692 -3.461 64 HB2 HIS 11 HB2 HIS 11 20.268 -4.275 -1.331 65 HB3 HIS 11 HB3 HIS 11 18.798 -5.210 -1.562 66 HD2 HIS 11 HD2 HIS 11 21.760 -4.228 -3.999 67 HE1 HIS 11 HE1 HIS 11 20.753 -8.311 -4.535 68 HE2 HIS 11 HE2 HIS 11 22.103 -6.374 -5.395 69 H CYS 12 H CYS 12 16.674 -2.111 -2.946 70 HA CYS 12 HA CYS 12 16.193 -1.814 -0.086 71 HB2 CYS 12 HB2 CYS 12 16.804 0.435 -1.930 72 HB3 CYS 12 HB3 CYS 12 15.533 0.687 -0.742 73 H LYS 13 H LYS 13 14.086 -1.405 0.500 74 HA LYS 13 HA LYS 13 12.087 -2.041 -1.529 75 HB2 LYS 13 HB2 LYS 13 11.890 -1.901 1.485 76 HB3 LYS 13 HB3 LYS 13 10.586 -2.383 0.411 77 HG2 LYS 13 HG2 LYS 13 11.804 -4.343 -0.266 78 HG3 LYS 13 HG3 LYS 13 13.213 -3.828 0.661 79 HD2 LYS 13 HD2 LYS 13 10.509 -4.422 1.866 80 HD3 LYS 13 HD3 LYS 13 11.843 -5.574 1.798 81 HE2 LYS 13 HE2 LYS 13 13.231 -4.014 3.094 82 HE3 LYS 13 HE3 LYS 13 11.873 -2.898 3.189 83 HZ1 LYS 13 HZ1 LYS 13 10.638 -4.489 4.448 84 HZ2 LYS 13 HZ2 LYS 13 12.148 -4.295 5.182 85 HZ3 LYS 13 HZ3 LYS 13 11.833 -5.664 4.250 86 H VAL 14 H VAL 14 11.602 -0.188 -2.556 87 HA VAL 14 HA VAL 14 11.434 2.319 -1.158 88 HB VAL 14 HB VAL 14 10.530 1.766 -3.987 89 HG11 VAL 14 HG11 VAL 14 9.864 3.913 -3.096 90 HG12 VAL 14 HG12 VAL 14 11.108 4.107 -4.336 91 HG13 VAL 14 HG13 VAL 14 11.532 4.252 -2.633 92 HG21 VAL 14 HG21 VAL 14 12.789 2.417 -4.708 93 HG22 VAL 14 HG22 VAL 14 12.796 0.928 -3.759 94 HG23 VAL 14 HG23 VAL 14 13.300 2.448 -3.020 95 H ASP 15 H ASP 15 9.657 3.271 -0.358 96 HA ASP 15 HA ASP 15 7.139 1.811 -0.488 97 HB2 ASP 15 HB2 ASP 15 8.253 3.934 1.294 98 HB3 ASP 15 HB3 ASP 15 6.511 3.739 1.184 99 HA PRO 16 HA PRO 16 5.328 4.558 -3.459 100 HB2 PRO 16 HB2 PRO 16 2.704 4.316 -2.713 101 HB3 PRO 16 HB3 PRO 16 3.563 3.097 -3.660 102 HG2 PRO 16 HG2 PRO 16 2.999 3.161 -0.721 103 HG3 PRO 16 HG3 PRO 16 2.889 1.801 -1.855 104 HD2 PRO 16 HD2 PRO 16 4.982 2.097 -0.202 105 HD3 PRO 16 HD3 PRO 16 5.171 1.441 -1.842 106 H GLU 17 H GLU 17 4.738 4.864 -0.041 107 HA GLU 17 HA GLU 17 3.623 7.510 -0.227 108 HB2 GLU 17 HB2 GLU 17 4.548 5.892 2.160 109 HB3 GLU 17 HB3 GLU 17 3.764 7.457 2.269 110 HG2 GLU 17 HG2 GLU 17 2.420 5.153 0.888 111 HG3 GLU 17 HG3 GLU 17 2.357 5.325 2.638 112 H ARG 18 H ARG 18 6.794 6.205 -0.270 113 HA ARG 18 HA ARG 18 7.939 8.870 0.166 114 HB2 ARG 18 HB2 ARG 18 8.806 6.376 1.633 115 HB3 ARG 18 HB3 ARG 18 9.847 7.777 1.467 116 HG2 ARG 18 HG2 ARG 18 8.115 9.129 2.637 117 HG3 ARG 18 HG3 ARG 18 7.200 7.642 2.900 118 HD2 ARG 18 HD2 ARG 18 9.109 6.691 4.123 119 HD3 ARG 18 HD3 ARG 18 10.013 8.179 3.866 120 HE ARG 18 HE ARG 18 7.652 8.892 5.116 121 HH11 ARG 18 HH11 ARG 18 10.464 6.893 5.833 122 HH12 ARG 18 HH12 ARG 18 10.375 7.160 7.539 123 HH21 ARG 18 HH21 ARG 18 7.540 9.236 7.396 124 HH22 ARG 18 HH22 ARG 18 8.711 8.494 8.432 125 H VAL 19 H VAL 19 7.581 7.449 -2.302 126 HA VAL 19 HA VAL 19 10.224 6.437 -2.986 127 HB VAL 19 HB VAL 19 8.545 5.137 -4.095 128 HG11 VAL 19 HG11 VAL 19 6.672 6.673 -3.769 129 HG12 VAL 19 HG12 VAL 19 6.756 6.117 -5.441 130 HG13 VAL 19 HG13 VAL 19 7.320 7.734 -5.020 131 HG21 VAL 19 HG21 VAL 19 9.542 7.156 -6.101 132 HG22 VAL 19 HG22 VAL 19 8.898 5.557 -6.470 133 HG23 VAL 19 HG23 VAL 19 10.400 5.715 -5.560 134 H PHE 20 H PHE 20 11.828 7.763 -3.464 135 HA PHE 20 HA PHE 20 11.431 10.471 -4.236 136 HB2 PHE 20 HB2 PHE 20 13.832 8.688 -3.995 137 HB3 PHE 20 HB3 PHE 20 13.958 10.324 -4.632 138 HD1 PHE 20 HD1 PHE 20 12.891 8.370 -1.668 139 HD2 PHE 20 HD2 PHE 20 14.062 12.160 -3.202 140 HE1 PHE 20 HE1 PHE 20 13.017 9.252 0.625 141 HE2 PHE 20 HE2 PHE 20 14.192 13.051 -0.912 142 HZ PHE 20 HZ PHE 20 13.669 11.597 1.005 143 H ASN 21 H ASN 21 10.649 10.945 -6.162 144 HA ASN 21 HA ASN 21 11.213 9.250 -8.446 145 HB2 ASN 21 HB2 ASN 21 9.473 11.710 -8.184 146 HB3 ASN 21 HB3 ASN 21 9.645 10.761 -9.648 147 HD21 ASN 21 HD21 ASN 21 9.685 8.202 -8.401 148 HD22 ASN 21 HD22 ASN 21 8.089 7.893 -7.817 149 H HIS 22 H HIS 22 12.247 9.881 -10.275 150 HA HIS 22 HA HIS 22 13.421 12.537 -10.444 151 HB2 HIS 22 HB2 HIS 22 15.114 11.225 -9.232 152 HB3 HIS 22 HB3 HIS 22 15.092 10.012 -10.501 153 HD2 HIS 22 HD2 HIS 22 16.543 13.566 -9.835 154 HE1 HIS 22 HE1 HIS 22 18.109 12.157 -13.511 155 HE2 HIS 22 HE2 HIS 22 18.320 13.867 -11.684 156 H ASP 23 H ASP 23 12.693 13.158 -12.356 157 HA ASP 23 HA ASP 23 12.270 13.262 -14.584 158 HB2 ASP 23 HB2 ASP 23 14.751 12.595 -14.582 159 HB3 ASP 23 HB3 ASP 23 14.203 10.967 -14.961 160 H GLY 24 H GLY 24 10.796 11.380 -12.823 161 HA2 GLY 24 HA2 GLY 24 8.801 10.245 -13.350 162 HA3 GLY 24 HA3 GLY 24 9.427 9.939 -14.962 163 H GLU 25 H GLU 25 11.751 9.244 -12.639 164 HA GLU 25 HA GLU 25 11.070 6.391 -12.804 165 HB2 GLU 25 HB2 GLU 25 13.370 7.644 -13.629 166 HB3 GLU 25 HB3 GLU 25 13.808 7.090 -12.015 167 HG2 GLU 25 HG2 GLU 25 13.334 4.834 -12.570 168 HG3 GLU 25 HG3 GLU 25 12.603 5.306 -14.102 169 H ALA 26 H ALA 26 11.541 5.073 -10.953 170 HA ALA 26 HA ALA 26 11.030 6.510 -8.459 171 HB1 ALA 26 HB1 ALA 26 10.359 4.315 -7.588 172 HB2 ALA 26 HB2 ALA 26 10.795 3.577 -9.129 173 HB3 ALA 26 HB3 ALA 26 9.469 4.737 -9.051 174 H TYR 27 H TYR 27 12.335 6.368 -6.692 175 HA TYR 27 HA TYR 27 14.677 4.626 -6.743 176 HB2 TYR 27 HB2 TYR 27 14.793 7.638 -6.546 177 HB3 TYR 27 HB3 TYR 27 16.113 6.598 -6.023 178 HD1 TYR 27 HD1 TYR 27 14.438 8.161 -8.830 179 HD2 TYR 27 HD2 TYR 27 17.326 5.243 -7.728 180 HE1 TYR 27 HE1 TYR 27 15.349 8.202 -11.116 181 HE2 TYR 27 HE2 TYR 27 18.243 5.278 -10.006 182 HH TYR 27 HH TYR 27 17.295 7.674 -12.313 183 H CYS 28 H CYS 28 15.712 4.485 -4.581 184 HA CYS 28 HA CYS 28 13.696 4.499 -2.541 185 HB2 CYS 28 HB2 CYS 28 15.326 3.440 -1.123 186 HB3 CYS 28 HB3 CYS 28 15.460 2.728 -2.726 187 H SER 29 H SER 29 16.321 6.574 -3.449 188 HA SER 29 HA SER 29 15.462 8.555 -1.563 189 HB2 SER 29 HB2 SER 29 16.876 7.240 -0.093 190 HB3 SER 29 HB3 SER 29 18.179 7.243 -1.267 191 HG SER 29 HG SER 29 17.161 9.437 0.210 192 H GLN 30 H GLN 30 16.500 10.583 -1.858 193 HA GLN 30 HA GLN 30 16.932 11.576 -4.368 194 HB2 GLN 30 HB2 GLN 30 17.089 12.547 -1.765 195 HB3 GLN 30 HB3 GLN 30 18.708 12.817 -2.377 196 HG2 GLN 30 HG2 GLN 30 16.227 13.789 -3.782 197 HG3 GLN 30 HG3 GLN 30 17.091 14.737 -2.579 198 HE21 GLN 30 HE21 GLN 30 19.150 15.533 -3.095 199 HE22 GLN 30 HE22 GLN 30 19.694 15.639 -4.731 200 H ALA 31 H ALA 31 19.289 10.047 -2.231 201 HA ALA 31 HA ALA 31 21.681 10.607 -3.529 202 HB1 ALA 31 HB1 ALA 31 22.584 8.650 -2.390 203 HB2 ALA 31 HB2 ALA 31 20.952 8.061 -2.080 204 HB3 ALA 31 HB3 ALA 31 21.510 9.542 -1.310 205 H CYS 32 H CYS 32 19.616 7.707 -3.993 206 HA CYS 32 HA CYS 32 21.144 6.812 -6.235 207 HB2 CYS 32 HB2 CYS 32 18.653 5.904 -4.875 208 HB3 CYS 32 HB3 CYS 32 18.939 5.367 -6.522 209 H ALA 33 H ALA 33 18.444 8.919 -5.778 210 HA ALA 33 HA ALA 33 17.200 8.749 -8.256 211 HB1 ALA 33 HB1 ALA 33 16.230 9.966 -6.379 212 HB2 ALA 33 HB2 ALA 33 16.357 11.017 -7.789 213 HB3 ALA 33 HB3 ALA 33 17.516 11.168 -6.473 214 H GLU 34 H GLU 34 19.939 10.748 -7.201 215 HA GLU 34 HA GLU 34 20.271 11.855 -9.841 216 HB2 GLU 34 HB2 GLU 34 22.112 12.053 -7.468 217 HB3 GLU 34 HB3 GLU 34 22.166 13.032 -8.927 218 HG2 GLU 34 HG2 GLU 34 19.768 13.703 -8.280 219 HG3 GLU 34 HG3 GLU 34 20.202 13.086 -6.692 220 H GLN 35 H GLN 35 20.808 8.863 -8.838 221 HA GLN 35 HA GLN 35 22.068 7.111 -9.541 222 HB2 GLN 35 HB2 GLN 35 22.949 8.966 -11.741 223 HB3 GLN 35 HB3 GLN 35 22.941 7.208 -11.775 224 HG2 GLN 35 HG2 GLN 35 20.573 7.135 -11.786 225 HG3 GLN 35 HG3 GLN 35 20.459 8.852 -11.430 226 HE21 GLN 35 HE21 GLN 35 19.195 9.222 -13.235 227 HE22 GLN 35 HE22 GLN 35 19.854 9.225 -14.831 228 H HIS 36 H HIS 36 23.213 8.754 -7.584 229 HA HIS 36 HA HIS 36 25.149 9.106 -6.447 230 HB2 HIS 36 HB2 HIS 36 26.368 7.081 -8.322 231 HB3 HIS 36 HB3 HIS 36 26.959 7.526 -6.727 232 HD1 HIS 36 HD1 HIS 36 25.458 6.717 -4.676 233 HD2 HIS 36 HD2 HIS 36 24.469 5.110 -8.365 234 HE1 HIS 36 HE1 HIS 36 24.015 4.738 -4.177 235 HA PRO 37 HA PRO 37 26.542 12.095 -9.702 236 HB2 PRO 37 HB2 PRO 37 26.726 13.809 -7.312 237 HB3 PRO 37 HB3 PRO 37 25.909 14.108 -8.847 238 HG2 PRO 37 HG2 PRO 37 24.576 13.567 -6.575 239 HG3 PRO 37 HG3 PRO 37 23.980 13.080 -8.170 240 HD2 PRO 37 HD2 PRO 37 25.245 11.441 -6.030 241 HD3 PRO 37 HD3 PRO 37 23.993 10.994 -7.203 242 H ASN 38 H ASN 38 27.779 12.039 -6.364 243 HA ASN 38 HA ASN 38 30.461 12.369 -7.465 244 HB2 ASN 38 HB2 ASN 38 29.340 12.944 -4.742 245 HB3 ASN 38 HB3 ASN 38 31.076 12.832 -5.016 246 HD21 ASN 38 HD21 ASN 38 28.213 14.370 -6.251 247 HD22 ASN 38 HD22 ASN 38 28.937 15.891 -6.643 248 H GLY 39 H GLY 39 28.522 9.980 -6.792 249 HA2 GLY 39 HA2 GLY 39 29.146 7.713 -6.712 250 HA3 GLY 39 HA3 GLY 39 30.699 8.191 -6.042 251 H GLU 40 H GLU 40 28.052 9.738 -4.562 252 HA GLU 40 HA GLU 40 28.557 8.314 -2.139 253 HB2 GLU 40 HB2 GLU 40 26.796 10.593 -2.859 254 HB3 GLU 40 HB3 GLU 40 26.535 9.735 -1.349 255 HG2 GLU 40 HG2 GLU 40 28.955 10.130 -0.840 256 HG3 GLU 40 HG3 GLU 40 28.971 11.228 -2.224 257 HA PRO 41 HA PRO 41 25.578 5.149 -2.679 258 HB2 PRO 41 HB2 PRO 41 25.689 4.168 -0.167 259 HB3 PRO 41 HB3 PRO 41 27.020 3.965 -1.314 260 HG2 PRO 41 HG2 PRO 41 26.719 5.969 0.895 261 HG3 PRO 41 HG3 PRO 41 28.136 4.999 0.458 262 HD2 PRO 41 HD2 PRO 41 27.851 7.595 -0.282 263 HD3 PRO 41 HD3 PRO 41 28.722 6.405 -1.274 264 H CYS 42 H CYS 42 23.544 4.322 -1.567 265 HA CYS 42 HA CYS 42 21.829 6.531 -0.946 266 HB2 CYS 42 HB2 CYS 42 20.035 4.918 -0.918 267 HB3 CYS 42 HB3 CYS 42 21.105 4.488 -2.242 268 HA PRO 43 HA PRO 43 22.047 6.668 3.442 269 HB2 PRO 43 HB2 PRO 43 19.462 6.998 4.203 270 HB3 PRO 43 HB3 PRO 43 20.392 8.250 3.359 271 HG2 PRO 43 HG2 PRO 43 18.459 6.253 2.245 272 HG3 PRO 43 HG3 PRO 43 18.540 8.004 1.967 273 HD2 PRO 43 HD2 PRO 43 19.552 6.284 0.211 274 HD3 PRO 43 HD3 PRO 43 20.365 7.822 0.554 275 H ALA 44 H ALA 44 21.542 3.841 2.266 276 HA ALA 44 HA ALA 44 20.365 2.597 4.662 277 HB1 ALA 44 HB1 ALA 44 20.253 0.549 3.317 278 HB2 ALA 44 HB2 ALA 44 21.014 1.392 1.967 279 HB3 ALA 44 HB3 ALA 44 19.413 1.879 2.520 280 HA PRO 45 HA PRO 45 24.542 1.851 5.896 281 HB2 PRO 45 HB2 PRO 45 24.103 0.307 8.054 282 HB3 PRO 45 HB3 PRO 45 23.742 2.037 8.046 283 HG2 PRO 45 HG2 PRO 45 21.890 -0.285 7.695 284 HG3 PRO 45 HG3 PRO 45 21.659 1.198 8.639 285 HD2 PRO 45 HD2 PRO 45 20.593 0.815 6.151 286 HD3 PRO 45 HD3 PRO 45 21.014 2.412 6.798 287 H ASP 46 H ASP 46 22.324 -0.844 5.432 288 HA ASP 46 HA ASP 46 24.516 -2.749 5.373 289 HB2 ASP 46 HB2 ASP 46 21.549 -3.143 4.959 290 HB3 ASP 46 HB3 ASP 46 22.737 -4.440 4.939 291 H CYS 47 H CYS 47 23.113 -0.680 3.201 292 HA CYS 47 HA CYS 47 23.451 -2.424 0.908 293 HB2 CYS 47 HB2 CYS 47 21.559 -0.719 1.221 294 HB3 CYS 47 HB3 CYS 47 22.772 0.498 0.833 295 H HIS 48 H HIS 48 24.896 -1.893 -0.841 296 HA HIS 48 HA HIS 48 27.067 -0.041 -0.167 297 HB2 HIS 48 HB2 HIS 48 27.450 -2.968 -0.828 298 HB3 HIS 48 HB3 HIS 48 28.749 -1.787 -0.843 299 HD1 HIS 48 HD1 HIS 48 29.780 -1.158 1.396 300 HD2 HIS 48 HD2 HIS 48 26.413 -3.565 1.766 301 HE1 HIS 48 HE1 HIS 48 29.723 -1.875 3.793 302 HE2 HIS 48 HE2 HIS 48 27.699 -3.352 4.000 303 H CYS 49 H CYS 49 25.332 0.713 -2.017 304 HA CYS 49 HA CYS 49 26.492 -0.076 -4.592 305 HB2 CYS 49 HB2 CYS 49 24.490 0.913 -5.603 306 HB3 CYS 49 HB3 CYS 49 24.080 -0.351 -4.450 307 H GLU 50 H GLU 50 27.769 1.244 -5.597 308 HA GLU 50 HA GLU 50 27.401 4.048 -5.729 309 HB2 GLU 50 HB2 GLU 50 29.619 4.657 -4.720 310 HB3 GLU 50 HB3 GLU 50 28.406 4.133 -3.561 311 HG2 GLU 50 HG2 GLU 50 29.429 1.950 -3.440 312 HG3 GLU 50 HG3 GLU 50 30.607 2.423 -4.659 313 H ARG 51 H ARG 51 29.750 1.417 -5.990 314 HA ARG 51 HA ARG 51 30.750 2.502 -8.494 315 HB2 ARG 51 HB2 ARG 51 31.467 -0.135 -7.182 316 HB3 ARG 51 HB3 ARG 51 32.364 0.703 -8.439 317 HG2 ARG 51 HG2 ARG 51 31.980 1.708 -5.634 318 HG3 ARG 51 HG3 ARG 51 33.412 0.871 -6.222 319 HD2 ARG 51 HD2 ARG 51 34.102 2.663 -7.483 320 HD3 ARG 51 HD3 ARG 51 32.468 3.297 -7.673 321 HE ARG 51 HE ARG 51 33.337 3.410 -4.960 322 HH11 ARG 51 HH11 ARG 51 33.644 5.054 -8.054 323 HH12 ARG 51 HH12 ARG 51 33.948 6.600 -7.339 324 HH21 ARG 51 HH21 ARG 51 33.732 5.458 -4.030 325 HH22 ARG 51 HH22 ARG 51 33.990 6.833 -5.052 326 H SER 52 H SER 52 28.464 2.346 -9.162 327 HA SER 52 HA SER 52 26.948 0.109 -9.540 328 HB2 SER 52 HB2 SER 52 26.173 2.378 -10.074 329 HB3 SER 52 HB3 SER 52 27.243 2.420 -11.473 330 HG SER 52 HG SER 52 25.182 0.484 -11.107 331 H GLY 53 H GLY 53 27.113 -1.703 -10.616 332 HA2 GLY 53 HA2 GLY 53 29.423 -2.455 -11.987 333 HA3 GLY 53 HA3 GLY 53 27.888 -3.311 -12.036 334 H LYS 54 H LYS 54 26.215 -1.671 -13.314 335 HA LYS 54 HA LYS 54 27.440 -0.552 -15.611 336 HB2 LYS 54 HB2 LYS 54 27.686 -2.864 -16.174 337 HB3 LYS 54 HB3 LYS 54 25.996 -3.175 -15.802 338 HG2 LYS 54 HG2 LYS 54 25.348 -1.701 -17.615 339 HG3 LYS 54 HG3 LYS 54 27.054 -1.472 -18.018 340 HD2 LYS 54 HD2 LYS 54 27.307 -3.827 -18.445 341 HD3 LYS 54 HD3 LYS 54 25.644 -4.123 -17.936 342 HE2 LYS 54 HE2 LYS 54 24.864 -2.675 -19.784 343 HE3 LYS 54 HE3 LYS 54 26.536 -2.503 -20.316 344 HZ1 LYS 54 HZ1 LYS 54 25.326 -4.205 -21.546 345 HZ2 LYS 54 HZ2 LYS 54 25.069 -5.074 -20.124 346 HZ3 LYS 54 HZ3 LYS 54 26.641 -4.856 -20.713 347 H VAL 55 H VAL 55 26.206 1.200 -15.814 348 HA VAL 55 HA VAL 55 23.368 1.142 -15.217 349 HB VAL 55 HB VAL 55 25.043 3.424 -16.303 350 HG11 VAL 55 HG11 VAL 55 23.232 4.856 -15.473 351 HG12 VAL 55 HG12 VAL 55 22.324 3.422 -14.997 352 HG13 VAL 55 HG13 VAL 55 22.663 3.725 -16.702 353 HG21 VAL 55 HG21 VAL 55 25.902 2.692 -14.145 354 HG22 VAL 55 HG22 VAL 55 24.284 2.795 -13.450 355 HG23 VAL 55 HG23 VAL 55 25.105 4.258 -13.996 356 H GLY 56 H GLY 56 21.777 0.959 -16.707 357 HA2 GLY 56 HA2 GLY 56 22.465 0.340 -19.423 358 HA3 GLY 56 HA3 GLY 56 20.848 0.390 -18.739 359 H GLY 57 H GLY 57 23.492 2.545 -19.703 360 HA2 GLY 57 HA2 GLY 57 21.506 4.265 -21.000 361 HA3 GLY 57 HA3 GLY 57 22.624 4.979 -19.844 362 H ARG 58 H ARG 58 22.132 4.929 -22.941 363 HA ARG 58 HA ARG 58 24.836 4.278 -23.798 364 HB2 ARG 58 HB2 ARG 58 22.296 4.939 -25.257 365 HB3 ARG 58 HB3 ARG 58 23.846 4.972 -26.082 366 HG2 ARG 58 HG2 ARG 58 22.771 2.580 -24.612 367 HG3 ARG 58 HG3 ARG 58 22.591 2.854 -26.348 368 HD2 ARG 58 HD2 ARG 58 24.976 2.849 -26.646 369 HD3 ARG 58 HD3 ARG 58 25.234 2.741 -24.908 370 HE ARG 58 HE ARG 58 23.710 0.551 -25.583 371 HH11 ARG 58 HH11 ARG 58 26.860 1.827 -26.434 372 HH12 ARG 58 HH12 ARG 58 27.551 0.270 -26.739 373 HH21 ARG 58 HH21 ARG 58 24.636 -1.523 -25.990 374 HH22 ARG 58 HH22 ARG 58 26.288 -1.630 -26.492 375 H ASP 59 H ASP 59 22.638 7.024 -23.701 376 HA ASP 59 HA ASP 59 24.845 8.846 -23.494 377 HB2 ASP 59 HB2 ASP 59 24.211 10.168 -25.477 378 HB3 ASP 59 HB3 ASP 59 24.780 8.562 -25.915 379 H ILE 60 H ILE 60 24.162 10.941 -22.919 380 HA ILE 60 HA ILE 60 21.368 11.033 -22.043 381 HB ILE 60 HB ILE 60 23.652 12.748 -21.017 382 HG12 ILE 60 HG12 ILE 60 22.407 10.287 -19.762 383 HG13 ILE 60 HG13 ILE 60 24.014 10.362 -20.473 384 HG21 ILE 60 HG21 ILE 60 20.860 12.285 -19.950 385 HG22 ILE 60 HG22 ILE 60 21.434 13.748 -20.749 386 HG23 ILE 60 HG23 ILE 60 22.101 13.278 -19.186 387 HD11 ILE 60 HD11 ILE 60 24.687 11.976 -18.765 388 HD12 ILE 60 HD12 ILE 60 24.111 10.471 -18.050 389 HD13 ILE 60 HD13 ILE 60 23.074 11.897 -18.060 390 H THR 61 H THR 61 21.094 11.514 -24.430 391 HA THR 61 HA THR 61 21.857 14.068 -25.397 392 HB THR 61 HB THR 61 19.625 12.247 -26.357 393 HG1 THR 61 HG1 THR 61 21.526 11.165 -26.693 394 HG21 THR 61 HG21 THR 61 20.987 14.571 -27.740 395 HG22 THR 61 HG22 THR 61 19.333 14.565 -27.128 396 HG23 THR 61 HG23 THR 61 19.782 13.505 -28.463 397 H ASN 62 H ASN 62 21.275 15.689 -24.079 398 HA ASN 62 HA ASN 62 18.430 15.933 -23.431 399 HB2 ASN 62 HB2 ASN 62 19.954 15.738 -21.481 400 HB3 ASN 62 HB3 ASN 62 20.773 17.204 -22.012 401 HD21 ASN 62 HD21 ASN 62 17.855 15.870 -20.704 402 HD22 ASN 62 HD22 ASN 62 17.184 17.359 -20.137 403 H ASN 63 H ASN 63 17.595 17.092 -25.026 404 HA ASN 63 HA ASN 63 18.768 19.738 -25.469 405 HB2 ASN 63 HB2 ASN 63 17.627 17.874 -27.544 406 HB3 ASN 63 HB3 ASN 63 17.810 19.604 -27.820 407 HD21 ASN 63 HD21 ASN 63 19.912 20.493 -27.816 408 HD22 ASN 63 HD22 ASN 63 21.290 19.511 -28.154 409 H GLN 64 H GLN 64 17.523 20.931 -24.340 410 HA GLN 64 HA GLN 64 14.653 20.915 -24.938 411 HB2 GLN 64 HB2 GLN 64 14.484 21.863 -22.501 412 HB3 GLN 64 HB3 GLN 64 14.608 20.128 -22.757 413 HG2 GLN 64 HG2 GLN 64 17.040 20.281 -22.330 414 HG3 GLN 64 HG3 GLN 64 16.839 21.994 -21.972 415 HE21 GLN 64 HE21 GLN 64 17.783 19.792 -20.290 416 HE22 GLN 64 HE22 GLN 64 16.757 19.796 -18.893 417 H LEU 65 H LEU 65 17.512 22.730 -24.038 418 HA LEU 65 HA LEU 65 18.168 24.879 -24.344 419 HB2 LEU 65 HB2 LEU 65 16.227 24.625 -26.643 420 HB3 LEU 65 HB3 LEU 65 17.253 26.020 -26.412 421 HG LEU 65 HG LEU 65 18.309 24.721 -28.053 422 HD11 LEU 65 HD11 LEU 65 19.824 25.568 -26.351 423 HD12 LEU 65 HD12 LEU 65 20.414 24.076 -27.080 424 HD13 LEU 65 HD13 LEU 65 19.690 24.044 -25.473 425 HD21 LEU 65 HD21 LEU 65 17.087 22.642 -27.770 426 HD22 LEU 65 HD22 LEU 65 17.963 22.308 -26.277 427 HD23 LEU 65 HD23 LEU 65 18.822 22.336 -27.818 428 H ASP 66 H ASP 66 16.977 27.168 -25.140 429 HA ASP 66 HA ASP 66 14.646 27.512 -23.399 430 HB2 ASP 66 HB2 ASP 66 16.556 28.466 -22.223 431 HB3 ASP 66 HB3 ASP 66 17.018 29.380 -23.655 432 H GLU 67 H GLU 67 13.116 27.674 -24.899 433 HA GLU 67 HA GLU 67 13.626 29.352 -27.245 434 HB2 GLU 67 HB2 GLU 67 11.459 27.308 -26.754 435 HB3 GLU 67 HB3 GLU 67 11.702 28.203 -28.250 436 HG2 GLU 67 HG2 GLU 67 13.870 27.166 -28.548 437 HG3 GLU 67 HG3 GLU 67 13.691 26.307 -27.022 438 H ALA 68 H ALA 68 12.823 30.159 -24.443 439 HA ALA 68 HA ALA 68 10.181 31.242 -24.712 440 HB1 ALA 68 HB1 ALA 68 12.320 31.785 -22.654 441 HB2 ALA 68 HB2 ALA 68 11.052 30.564 -22.532 442 HB3 ALA 68 HB3 ALA 68 10.630 32.277 -22.542 443 H LEU 69 H LEU 69 10.043 32.698 -26.362 444 HA LEU 69 HA LEU 69 12.056 34.753 -26.679 445 HB2 LEU 69 HB2 LEU 69 9.514 34.141 -28.163 446 HB3 LEU 69 HB3 LEU 69 10.466 35.572 -28.489 447 HG LEU 69 HG LEU 69 11.426 32.727 -28.810 448 HD11 LEU 69 HD11 LEU 69 10.595 34.809 -30.822 449 HD12 LEU 69 HD12 LEU 69 9.780 33.283 -30.480 450 HD13 LEU 69 HD13 LEU 69 11.383 33.284 -31.216 451 HD21 LEU 69 HD21 LEU 69 13.250 34.230 -28.222 452 HD22 LEU 69 HD22 LEU 69 12.743 35.362 -29.474 453 HD23 LEU 69 HD23 LEU 69 13.359 33.772 -29.922 454 H GLU 70 H GLU 70 8.613 34.611 -25.843 455 HA GLU 70 HA GLU 70 7.210 36.074 -24.871 456 HB2 GLU 70 HB2 GLU 70 9.788 36.646 -23.504 457 HB3 GLU 70 HB3 GLU 70 8.490 37.809 -23.285 458 HG2 GLU 70 HG2 GLU 70 8.537 36.174 -21.487 459 HG3 GLU 70 HG3 GLU 70 7.044 36.065 -22.413 460 H GLU 71 H GLU 71 6.812 36.903 -26.999 461 HA GLU 71 HA GLU 71 7.577 39.717 -27.157 462 HB2 GLU 71 HB2 GLU 71 7.560 39.550 -29.645 463 HB3 GLU 71 HB3 GLU 71 8.843 38.613 -28.899 464 HG2 GLU 71 HG2 GLU 71 7.558 36.570 -29.225 465 HG3 GLU 71 HG3 GLU 71 6.238 37.501 -29.926 466 H THR 72 H THR 72 5.689 40.248 -26.102 467 HA THR 72 HA THR 72 3.155 39.403 -27.160 468 HB THR 72 HB THR 72 2.270 41.043 -25.421 469 HG1 THR 72 HG1 THR 72 3.891 41.591 -23.812 470 HG21 THR 72 HG21 THR 72 4.075 38.795 -24.508 471 HG22 THR 72 HG22 THR 72 2.402 38.625 -25.038 472 HG23 THR 72 HG23 THR 72 2.771 39.516 -23.563 473 H PHE 73 H PHE 73 1.478 41.015 -27.683 474 HA PHE 73 HA PHE 73 2.473 42.811 -29.687 475 HB2 PHE 73 HB2 PHE 73 -0.327 42.219 -28.700 476 HB3 PHE 73 HB3 PHE 73 0.031 43.305 -30.037 477 HD1 PHE 73 HD1 PHE 73 -0.162 39.834 -28.948 478 HD2 PHE 73 HD2 PHE 73 0.874 42.435 -32.150 479 HE1 PHE 73 HE1 PHE 73 -0.176 37.924 -30.499 480 HE2 PHE 73 HE2 PHE 73 0.859 40.532 -33.707 481 HZ PHE 73 HZ PHE 73 0.333 38.272 -32.883 482 HA PRO 74 HA PRO 74 2.628 46.506 -27.289 483 HB2 PRO 74 HB2 PRO 74 1.836 48.376 -29.121 484 HB3 PRO 74 HB3 PRO 74 3.436 47.627 -29.125 485 HG2 PRO 74 HG2 PRO 74 1.036 46.990 -30.787 486 HG3 PRO 74 HG3 PRO 74 2.742 47.054 -31.260 487 HD2 PRO 74 HD2 PRO 74 1.422 44.736 -30.775 488 HD3 PRO 74 HD3 PRO 74 3.160 44.922 -30.474 489 H ALA 75 H ALA 75 1.239 48.578 -26.851 490 HA ALA 75 HA ALA 75 -1.127 47.820 -25.618 491 HB1 ALA 75 HB1 ALA 75 -1.570 50.193 -25.319 492 HB2 ALA 75 HB2 ALA 75 -0.373 50.587 -26.552 493 HB3 ALA 75 HB3 ALA 75 0.135 49.843 -25.036 494 H SER 76 H SER 76 -3.155 47.553 -26.251 495 HA SER 76 HA SER 76 -4.956 47.279 -27.572 496 HB2 SER 76 HB2 SER 76 -3.946 49.793 -28.930 497 HB3 SER 76 HB3 SER 76 -5.558 49.105 -29.123 498 HG SER 76 HG SER 76 -4.524 50.618 -27.094 499 H ASP 77 H ASP 77 -3.999 45.327 -28.351 500 HA ASP 77 HA ASP 77 -2.429 45.261 -30.682 501 HB2 ASP 77 HB2 ASP 77 -2.799 42.857 -30.718 502 HB3 ASP 77 HB3 ASP 77 -2.470 43.388 -29.078 503 HA PRO 78 HA PRO 78 -5.208 46.323 -33.903 504 HB2 PRO 78 HB2 PRO 78 -3.676 44.228 -35.372 505 HB3 PRO 78 HB3 PRO 78 -4.030 45.896 -35.837 506 HG2 PRO 78 HG2 PRO 78 -1.621 45.239 -34.954 507 HG3 PRO 78 HG3 PRO 78 -2.376 46.770 -34.469 508 HD2 PRO 78 HD2 PRO 78 -2.028 44.250 -32.909 509 HD3 PRO 78 HD3 PRO 78 -1.965 45.941 -32.371 510 H ILE 79 H ILE 79 -7.143 45.673 -34.517 511 HA ILE 79 HA ILE 79 -8.013 43.005 -33.847 512 HB ILE 79 HB ILE 79 -9.546 45.389 -34.928 513 HG12 ILE 79 HG12 ILE 79 -10.650 45.234 -32.628 514 HG13 ILE 79 HG13 ILE 79 -9.343 44.149 -32.178 515 HG21 ILE 79 HG21 ILE 79 -10.587 43.337 -35.701 516 HG22 ILE 79 HG22 ILE 79 -11.588 44.113 -34.474 517 HG23 ILE 79 HG23 ILE 79 -10.611 42.707 -34.053 518 HD11 ILE 79 HD11 ILE 79 -7.726 45.927 -32.594 519 HD12 ILE 79 HD12 ILE 79 -8.936 46.417 -31.407 520 HD13 ILE 79 HD13 ILE 79 -9.036 47.009 -33.066 521 H SER 80 H SER 80 -7.712 41.435 -35.229 522 HA SER 80 HA SER 80 -7.466 41.954 -38.071 523 HB2 SER 80 HB2 SER 80 -7.263 39.375 -36.515 524 HB3 SER 80 HB3 SER 80 -6.798 39.606 -38.202 525 HG SER 80 HG SER 80 -5.522 41.452 -36.851 526 HA PRO 81 HA PRO 81 -11.790 40.757 -38.622 527 HB2 PRO 81 HB2 PRO 81 -11.324 40.958 -41.490 528 HB3 PRO 81 HB3 PRO 81 -12.317 41.991 -40.459 529 HG2 PRO 81 HG2 PRO 81 -10.004 42.841 -41.615 530 HG3 PRO 81 HG3 PRO 81 -10.608 43.475 -40.074 531 HD2 PRO 81 HD2 PRO 81 -8.476 41.436 -40.583 532 HD3 PRO 81 HD3 PRO 81 -8.512 42.769 -39.407 Start of MODEL 6 1 HA ASN 1 HA ASN 1 2.778 11.727 -11.960 2 HB2 ASN 1 HB2 ASN 1 0.367 11.080 -12.012 3 HB3 ASN 1 HB3 ASN 1 0.639 10.049 -10.615 4 HD21 ASN 1 HD21 ASN 1 -0.900 11.217 -9.457 5 HD22 ASN 1 HD22 ASN 1 -0.550 12.778 -8.804 6 H GLU 2 H GLU 2 3.113 8.554 -10.626 7 HA GLU 2 HA GLU 2 4.195 9.419 -8.090 8 HB2 GLU 2 HB2 GLU 2 2.924 7.240 -8.546 9 HB3 GLU 2 HB3 GLU 2 4.362 6.677 -9.372 10 HG2 GLU 2 HG2 GLU 2 5.610 6.628 -7.376 11 HG3 GLU 2 HG3 GLU 2 4.400 7.572 -6.507 12 H LEU 3 H LEU 3 6.391 9.758 -7.650 13 HA LEU 3 HA LEU 3 8.035 9.987 -9.974 14 HB2 LEU 3 HB2 LEU 3 8.242 10.892 -7.170 15 HB3 LEU 3 HB3 LEU 3 9.743 10.669 -8.046 16 HG LEU 3 HG LEU 3 8.982 12.993 -8.144 17 HD11 LEU 3 HD11 LEU 3 8.782 11.611 -10.814 18 HD12 LEU 3 HD12 LEU 3 10.278 12.058 -9.997 19 HD13 LEU 3 HD13 LEU 3 9.160 13.309 -10.534 20 HD21 LEU 3 HD21 LEU 3 6.983 13.586 -9.414 21 HD22 LEU 3 HD22 LEU 3 6.588 12.615 -7.996 22 HD23 LEU 3 HD23 LEU 3 6.594 11.875 -9.597 23 H ARG 4 H ARG 4 10.061 9.153 -10.288 24 HA ARG 4 HA ARG 4 10.535 6.561 -8.985 25 HB2 ARG 4 HB2 ARG 4 9.500 6.260 -11.196 26 HB3 ARG 4 HB3 ARG 4 10.773 7.223 -11.925 27 HG2 ARG 4 HG2 ARG 4 12.410 5.532 -11.195 28 HG3 ARG 4 HG3 ARG 4 11.074 4.551 -10.590 29 HD2 ARG 4 HD2 ARG 4 11.231 5.506 -13.428 30 HD3 ARG 4 HD3 ARG 4 11.957 3.997 -12.892 31 HE ARG 4 HE ARG 4 9.124 4.387 -12.348 32 HH11 ARG 4 HH11 ARG 4 11.625 2.922 -14.339 33 HH12 ARG 4 HH12 ARG 4 10.568 1.724 -15.002 34 HH21 ARG 4 HH21 ARG 4 7.722 2.791 -13.252 35 HH22 ARG 4 HH22 ARG 4 8.357 1.645 -14.384 36 H CYS 5 H CYS 5 12.750 5.938 -8.831 37 HA CYS 5 HA CYS 5 14.542 8.202 -8.700 38 HB2 CYS 5 HB2 CYS 5 14.516 6.636 -6.842 39 HB3 CYS 5 HB3 CYS 5 14.924 5.308 -7.914 40 H GLY 6 H GLY 6 16.368 8.536 -9.903 41 HA2 GLY 6 HA2 GLY 6 16.419 7.477 -12.514 42 HA3 GLY 6 HA3 GLY 6 17.648 8.494 -11.781 43 H CYS 7 H CYS 7 18.222 6.633 -9.580 44 HA CYS 7 HA CYS 7 20.239 5.154 -10.874 45 HB2 CYS 7 HB2 CYS 7 20.546 5.852 -8.567 46 HB3 CYS 7 HB3 CYS 7 19.173 4.887 -8.051 47 HA PRO 8 HA PRO 8 17.595 1.860 -12.288 48 HB2 PRO 8 HB2 PRO 8 19.604 0.457 -13.503 49 HB3 PRO 8 HB3 PRO 8 18.765 1.838 -14.214 50 HG2 PRO 8 HG2 PRO 8 21.423 1.743 -12.848 51 HG3 PRO 8 HG3 PRO 8 20.942 2.631 -14.305 52 HD2 PRO 8 HD2 PRO 8 21.168 3.812 -11.889 53 HD3 PRO 8 HD3 PRO 8 19.976 4.341 -13.096 54 H ASP 9 H ASP 9 20.481 1.451 -10.326 55 HA ASP 9 HA ASP 9 19.915 -1.358 -9.817 56 HB2 ASP 9 HB2 ASP 9 22.264 -0.446 -9.947 57 HB3 ASP 9 HB3 ASP 9 21.953 0.425 -8.451 58 H CYS 10 H CYS 10 19.138 1.683 -8.535 59 HA CYS 10 HA CYS 10 18.606 0.752 -5.844 60 HB2 CYS 10 HB2 CYS 10 19.524 2.932 -5.997 61 HB3 CYS 10 HB3 CYS 10 18.341 3.410 -7.210 62 H HIS 11 H HIS 11 16.609 0.413 -4.951 63 HA HIS 11 HA HIS 11 14.286 0.848 -6.694 64 HB2 HIS 11 HB2 HIS 11 14.811 -1.475 -4.849 65 HB3 HIS 11 HB3 HIS 11 13.212 -1.101 -5.480 66 HD2 HIS 11 HD2 HIS 11 16.737 -1.821 -7.093 67 HE1 HIS 11 HE1 HIS 11 13.684 -3.463 -9.534 68 HE2 HIS 11 HE2 HIS 11 16.158 -3.378 -9.078 69 H CYS 12 H CYS 12 13.804 2.814 -5.825 70 HA CYS 12 HA CYS 12 12.532 2.685 -3.184 71 HB2 CYS 12 HB2 CYS 12 14.602 4.639 -4.082 72 HB3 CYS 12 HB3 CYS 12 13.304 5.218 -3.051 73 H LYS 13 H LYS 13 10.708 3.930 -2.939 74 HA LYS 13 HA LYS 13 9.506 4.851 -5.410 75 HB2 LYS 13 HB2 LYS 13 8.375 4.506 -2.639 76 HB3 LYS 13 HB3 LYS 13 7.461 5.118 -4.009 77 HG2 LYS 13 HG2 LYS 13 7.924 2.994 -5.190 78 HG3 LYS 13 HG3 LYS 13 8.672 2.391 -3.709 79 HD2 LYS 13 HD2 LYS 13 6.577 2.729 -2.510 80 HD3 LYS 13 HD3 LYS 13 5.829 3.348 -3.986 81 HE2 LYS 13 HE2 LYS 13 6.281 1.185 -5.084 82 HE3 LYS 13 HE3 LYS 13 6.948 0.579 -3.574 83 HZ1 LYS 13 HZ1 LYS 13 4.808 0.836 -2.534 84 HZ2 LYS 13 HZ2 LYS 13 4.651 -0.106 -3.927 85 HZ3 LYS 13 HZ3 LYS 13 4.155 1.509 -3.944 86 H VAL 14 H VAL 14 10.155 6.761 -5.932 87 HA VAL 14 HA VAL 14 10.782 8.770 -3.997 88 HB VAL 14 HB VAL 14 10.472 9.143 -6.977 89 HG11 VAL 14 HG11 VAL 14 10.651 11.206 -5.719 90 HG12 VAL 14 HG12 VAL 14 12.132 10.911 -6.638 91 HG13 VAL 14 HG13 VAL 14 12.094 10.598 -4.904 92 HG21 VAL 14 HG21 VAL 14 12.906 8.700 -7.108 93 HG22 VAL 14 HG22 VAL 14 11.956 7.287 -6.651 94 HG23 VAL 14 HG23 VAL 14 12.862 8.171 -5.426 95 H ASP 15 H ASP 15 9.647 10.684 -3.640 96 HA ASP 15 HA ASP 15 6.783 10.464 -4.206 97 HB2 ASP 15 HB2 ASP 15 7.848 10.614 -1.789 98 HB3 ASP 15 HB3 ASP 15 7.918 12.316 -2.207 99 HA PRO 16 HA PRO 16 7.062 14.154 -6.717 100 HB2 PRO 16 HB2 PRO 16 4.304 14.632 -5.759 101 HB3 PRO 16 HB3 PRO 16 4.897 14.455 -7.415 102 HG2 PRO 16 HG2 PRO 16 3.460 12.531 -6.240 103 HG3 PRO 16 HG3 PRO 16 4.793 12.141 -7.339 104 HD2 PRO 16 HD2 PRO 16 4.714 12.080 -4.354 105 HD3 PRO 16 HD3 PRO 16 5.497 10.954 -5.474 106 H GLU 17 H GLU 17 6.139 14.033 -3.367 107 HA GLU 17 HA GLU 17 6.226 16.938 -3.084 108 HB2 GLU 17 HB2 GLU 17 4.626 15.132 -1.910 109 HB3 GLU 17 HB3 GLU 17 5.932 15.120 -0.739 110 HG2 GLU 17 HG2 GLU 17 4.460 16.669 0.126 111 HG3 GLU 17 HG3 GLU 17 5.638 17.679 -0.709 112 H ARG 18 H ARG 18 8.338 14.297 -2.989 113 HA ARG 18 HA ARG 18 10.415 15.888 -1.681 114 HB2 ARG 18 HB2 ARG 18 9.600 13.126 -0.786 115 HB3 ARG 18 HB3 ARG 18 11.166 13.815 -0.409 116 HG2 ARG 18 HG2 ARG 18 9.986 15.685 0.735 117 HG3 ARG 18 HG3 ARG 18 8.471 14.817 0.468 118 HD2 ARG 18 HD2 ARG 18 9.228 14.301 2.677 119 HD3 ARG 18 HD3 ARG 18 9.464 12.872 1.671 120 HE ARG 18 HE ARG 18 11.791 14.551 1.827 121 HH11 ARG 18 HH11 ARG 18 10.038 11.947 3.394 122 HH12 ARG 18 HH12 ARG 18 11.413 11.355 4.258 123 HH21 ARG 18 HH21 ARG 18 13.634 13.768 2.986 124 HH22 ARG 18 HH22 ARG 18 13.468 12.401 4.031 125 H VAL 19 H VAL 19 10.315 15.491 -4.369 126 HA VAL 19 HA VAL 19 12.118 13.251 -4.894 127 HB VAL 19 HB VAL 19 10.296 13.205 -6.431 128 HG11 VAL 19 HG11 VAL 19 9.686 15.074 -7.869 129 HG12 VAL 19 HG12 VAL 19 10.907 16.081 -7.088 130 HG13 VAL 19 HG13 VAL 19 9.516 15.500 -6.166 131 HG21 VAL 19 HG21 VAL 19 12.668 14.422 -7.832 132 HG22 VAL 19 HG22 VAL 19 11.388 13.477 -8.594 133 HG23 VAL 19 HG23 VAL 19 12.465 12.719 -7.421 134 H PHE 20 H PHE 20 14.205 13.520 -5.131 135 HA PHE 20 HA PHE 20 15.323 16.169 -5.284 136 HB2 PHE 20 HB2 PHE 20 16.517 13.412 -5.053 137 HB3 PHE 20 HB3 PHE 20 17.494 14.865 -5.214 138 HD1 PHE 20 HD1 PHE 20 14.918 13.260 -3.078 139 HD2 PHE 20 HD2 PHE 20 18.028 16.145 -3.354 140 HE1 PHE 20 HE1 PHE 20 14.802 13.605 -0.645 141 HE2 PHE 20 HE2 PHE 20 17.919 16.500 -0.919 142 HZ PHE 20 HZ PHE 20 16.305 15.228 0.437 143 H ASN 21 H ASN 21 15.335 17.109 -7.220 144 HA ASN 21 HA ASN 21 15.556 15.483 -9.615 145 HB2 ASN 21 HB2 ASN 21 15.095 18.447 -9.298 146 HB3 ASN 21 HB3 ASN 21 15.167 17.604 -10.829 147 HD21 ASN 21 HD21 ASN 21 13.799 15.266 -10.024 148 HD22 ASN 21 HD22 ASN 21 12.135 15.690 -9.807 149 H HIS 22 H HIS 22 17.201 15.439 -10.973 150 HA HIS 22 HA HIS 22 19.408 17.311 -10.611 151 HB2 HIS 22 HB2 HIS 22 19.991 15.252 -9.307 152 HB3 HIS 22 HB3 HIS 22 19.799 14.314 -10.775 153 HD2 HIS 22 HD2 HIS 22 22.195 17.187 -9.522 154 HE1 HIS 22 HE1 HIS 22 24.206 14.824 -12.402 155 HE2 HIS 22 HE2 HIS 22 24.453 16.530 -10.580 156 H ASP 23 H ASP 23 19.513 18.267 -12.513 157 HA ASP 23 HA ASP 23 19.700 18.655 -14.737 158 HB2 ASP 23 HB2 ASP 23 21.507 16.883 -14.440 159 HB3 ASP 23 HB3 ASP 23 20.351 15.723 -15.080 160 H GLY 24 H GLY 24 17.156 17.737 -13.577 161 HA2 GLY 24 HA2 GLY 24 15.048 17.778 -14.655 162 HA3 GLY 24 HA3 GLY 24 15.806 17.148 -16.110 163 H GLU 25 H GLU 25 17.023 15.386 -13.650 164 HA GLU 25 HA GLU 25 15.151 13.211 -14.183 165 HB2 GLU 25 HB2 GLU 25 18.002 13.371 -13.377 166 HB3 GLU 25 HB3 GLU 25 17.082 11.978 -12.818 167 HG2 GLU 25 HG2 GLU 25 16.577 11.334 -15.049 168 HG3 GLU 25 HG3 GLU 25 17.254 12.829 -15.701 169 H ALA 26 H ALA 26 14.715 11.723 -12.388 170 HA ALA 26 HA ALA 26 14.206 13.230 -9.920 171 HB1 ALA 26 HB1 ALA 26 12.163 12.637 -11.096 172 HB2 ALA 26 HB2 ALA 26 12.295 11.721 -9.593 173 HB3 ALA 26 HB3 ALA 26 12.658 10.945 -11.134 174 H TYR 27 H TYR 27 14.837 12.328 -8.009 175 HA TYR 27 HA TYR 27 15.910 9.604 -8.043 176 HB2 TYR 27 HB2 TYR 27 17.425 12.071 -7.194 177 HB3 TYR 27 HB3 TYR 27 17.909 10.445 -6.712 178 HD1 TYR 27 HD1 TYR 27 17.868 12.927 -9.359 179 HD2 TYR 27 HD2 TYR 27 18.701 8.854 -8.463 180 HE1 TYR 27 HE1 TYR 27 19.148 12.729 -11.449 181 HE2 TYR 27 HE2 TYR 27 19.992 8.659 -10.551 182 HH TYR 27 HH TYR 27 19.828 10.143 -12.963 183 H CYS 28 H CYS 28 16.129 8.666 -5.892 184 HA CYS 28 HA CYS 28 13.901 9.372 -4.248 185 HB2 CYS 28 HB2 CYS 28 14.529 7.509 -2.858 186 HB3 CYS 28 HB3 CYS 28 14.751 7.031 -4.535 187 H SER 29 H SER 29 17.292 9.999 -4.193 188 HA SER 29 HA SER 29 16.947 11.984 -2.184 189 HB2 SER 29 HB2 SER 29 17.206 9.934 -0.792 190 HB3 SER 29 HB3 SER 29 18.727 9.588 -1.591 191 HG SER 29 HG SER 29 18.180 11.303 0.434 192 H GLN 30 H GLN 30 18.859 13.264 -1.990 193 HA GLN 30 HA GLN 30 20.145 13.766 -4.390 194 HB2 GLN 30 HB2 GLN 30 19.895 15.256 -2.321 195 HB3 GLN 30 HB3 GLN 30 21.345 14.457 -1.728 196 HG2 GLN 30 HG2 GLN 30 21.859 15.275 -4.375 197 HG3 GLN 30 HG3 GLN 30 21.117 16.632 -3.530 198 HE21 GLN 30 HE21 GLN 30 23.006 17.794 -3.558 199 HE22 GLN 30 HE22 GLN 30 24.354 17.403 -2.549 200 H ALA 31 H ALA 31 20.893 11.453 -1.930 201 HA ALA 31 HA ALA 31 23.585 10.918 -2.354 202 HB1 ALA 31 HB1 ALA 31 23.116 8.669 -1.517 203 HB2 ALA 31 HB2 ALA 31 21.393 8.918 -1.791 204 HB3 ALA 31 HB3 ALA 31 22.235 9.873 -0.576 205 H CYS 32 H CYS 32 20.758 9.543 -4.064 206 HA CYS 32 HA CYS 32 22.431 8.223 -5.987 207 HB2 CYS 32 HB2 CYS 32 19.472 8.486 -5.601 208 HB3 CYS 32 HB3 CYS 32 20.108 7.917 -7.137 209 H ALA 33 H ALA 33 20.861 11.301 -5.679 210 HA ALA 33 HA ALA 33 20.613 11.989 -8.346 211 HB1 ALA 33 HB1 ALA 33 20.627 14.317 -7.595 212 HB2 ALA 33 HB2 ALA 33 21.291 13.824 -6.040 213 HB3 ALA 33 HB3 ALA 33 19.667 13.318 -6.504 214 H GLU 34 H GLU 34 23.391 12.260 -6.116 215 HA GLU 34 HA GLU 34 25.125 13.367 -8.129 216 HB2 GLU 34 HB2 GLU 34 25.755 12.250 -5.397 217 HB3 GLU 34 HB3 GLU 34 26.929 13.026 -6.449 218 HG2 GLU 34 HG2 GLU 34 25.056 14.937 -6.355 219 HG3 GLU 34 HG3 GLU 34 24.789 14.177 -4.796 220 H GLN 35 H GLN 35 23.841 10.417 -7.899 221 HA GLN 35 HA GLN 35 24.291 8.373 -8.773 222 HB2 GLN 35 HB2 GLN 35 26.519 9.791 -10.217 223 HB3 GLN 35 HB3 GLN 35 25.720 8.300 -10.703 224 HG2 GLN 35 HG2 GLN 35 23.685 9.446 -11.147 225 HG3 GLN 35 HG3 GLN 35 24.298 10.925 -10.420 226 HE21 GLN 35 HE21 GLN 35 25.782 12.175 -11.514 227 HE22 GLN 35 HE22 GLN 35 26.087 11.979 -13.207 228 H HIS 36 H HIS 36 25.476 8.984 -6.286 229 HA HIS 36 HA HIS 36 26.921 8.146 -4.748 230 HB2 HIS 36 HB2 HIS 36 27.542 6.020 -6.799 231 HB3 HIS 36 HB3 HIS 36 27.810 5.911 -5.060 232 HD1 HIS 36 HD1 HIS 36 25.576 5.767 -3.571 233 HD2 HIS 36 HD2 HIS 36 25.086 5.300 -7.668 234 HE1 HIS 36 HE1 HIS 36 23.306 4.745 -3.869 235 HA PRO 37 HA PRO 37 30.386 10.311 -6.870 236 HB2 PRO 37 HB2 PRO 37 30.975 11.874 -4.689 237 HB3 PRO 37 HB3 PRO 37 29.816 12.321 -5.946 238 HG2 PRO 37 HG2 PRO 37 29.330 11.155 -3.243 239 HG3 PRO 37 HG3 PRO 37 28.412 12.400 -4.108 240 HD2 PRO 37 HD2 PRO 37 27.585 9.834 -3.942 241 HD3 PRO 37 HD3 PRO 37 27.246 10.847 -5.357 242 H ASN 38 H ASN 38 30.361 9.230 -3.476 243 HA ASN 38 HA ASN 38 33.130 8.278 -3.853 244 HB2 ASN 38 HB2 ASN 38 31.697 9.030 -1.298 245 HB3 ASN 38 HB3 ASN 38 33.315 8.350 -1.373 246 HD21 ASN 38 HD21 ASN 38 34.000 9.893 -3.795 247 HD22 ASN 38 HD22 ASN 38 34.250 11.511 -3.246 248 H GLY 39 H GLY 39 30.230 7.116 -4.152 249 HA2 GLY 39 HA2 GLY 39 29.682 4.834 -4.276 250 HA3 GLY 39 HA3 GLY 39 30.990 4.486 -3.155 251 H GLU 40 H GLU 40 29.189 7.078 -2.027 252 HA GLU 40 HA GLU 40 28.128 5.573 0.137 253 HB2 GLU 40 HB2 GLU 40 28.838 8.001 0.265 254 HB3 GLU 40 HB3 GLU 40 27.389 8.409 -0.642 255 HG2 GLU 40 HG2 GLU 40 26.003 7.483 1.162 256 HG3 GLU 40 HG3 GLU 40 27.459 7.091 2.072 257 HA PRO 41 HA PRO 41 24.446 4.247 -2.057 258 HB2 PRO 41 HB2 PRO 41 23.317 2.943 0.046 259 HB3 PRO 41 HB3 PRO 41 24.652 2.269 -0.895 260 HG2 PRO 41 HG2 PRO 41 24.723 3.689 1.742 261 HG3 PRO 41 HG3 PRO 41 25.582 2.223 1.238 262 HD2 PRO 41 HD2 PRO 41 26.776 4.640 1.304 263 HD3 PRO 41 HD3 PRO 41 27.198 3.411 0.094 264 H CYS 42 H CYS 42 22.011 4.338 -1.616 265 HA CYS 42 HA CYS 42 21.333 6.985 -0.772 266 HB2 CYS 42 HB2 CYS 42 19.109 6.484 -1.511 267 HB3 CYS 42 HB3 CYS 42 20.204 5.733 -2.662 268 HA PRO 43 HA PRO 43 20.339 6.361 3.457 269 HB2 PRO 43 HB2 PRO 43 18.162 7.940 3.788 270 HB3 PRO 43 HB3 PRO 43 19.784 8.587 3.493 271 HG2 PRO 43 HG2 PRO 43 17.534 8.136 1.583 272 HG3 PRO 43 HG3 PRO 43 18.575 9.559 1.772 273 HD2 PRO 43 HD2 PRO 43 18.991 7.756 -0.146 274 HD3 PRO 43 HD3 PRO 43 20.332 8.585 0.665 275 H ALA 44 H ALA 44 19.118 4.309 1.691 276 HA ALA 44 HA ALA 44 16.752 3.622 3.322 277 HB1 ALA 44 HB1 ALA 44 16.134 2.104 1.463 278 HB2 ALA 44 HB2 ALA 44 17.520 2.700 0.547 279 HB3 ALA 44 HB3 ALA 44 16.201 3.792 0.961 280 HA PRO 45 HA PRO 45 19.529 0.635 5.035 281 HB2 PRO 45 HB2 PRO 45 17.810 -0.663 6.652 282 HB3 PRO 45 HB3 PRO 45 18.369 0.978 6.991 283 HG2 PRO 45 HG2 PRO 45 15.788 0.068 5.787 284 HG3 PRO 45 HG3 PRO 45 16.079 1.338 6.990 285 HD2 PRO 45 HD2 PRO 45 15.683 1.838 4.328 286 HD3 PRO 45 HD3 PRO 45 16.623 2.892 5.398 287 H ASP 46 H ASP 46 16.506 -0.395 3.536 288 HA ASP 46 HA ASP 46 17.375 -3.169 3.437 289 HB2 ASP 46 HB2 ASP 46 14.990 -2.567 3.780 290 HB3 ASP 46 HB3 ASP 46 14.960 -1.847 2.176 291 H CYS 47 H CYS 47 17.648 -0.388 1.549 292 HA CYS 47 HA CYS 47 18.047 -1.827 -0.937 293 HB2 CYS 47 HB2 CYS 47 16.824 0.347 -0.846 294 HB3 CYS 47 HB3 CYS 47 18.335 1.102 -0.347 295 H HIS 48 H HIS 48 20.035 -1.971 -1.981 296 HA HIS 48 HA HIS 48 22.347 -0.853 -0.602 297 HB2 HIS 48 HB2 HIS 48 22.068 -3.781 -1.303 298 HB3 HIS 48 HB3 HIS 48 23.582 -3.015 -0.842 299 HD1 HIS 48 HD1 HIS 48 23.968 -2.591 1.645 300 HD2 HIS 48 HD2 HIS 48 20.174 -4.047 0.800 301 HE1 HIS 48 HE1 HIS 48 22.964 -3.226 3.869 302 HE2 HIS 48 HE2 HIS 48 20.836 -4.399 3.267 303 H CYS 49 H CYS 49 22.139 0.565 -2.460 304 HA CYS 49 HA CYS 49 23.319 -0.631 -4.861 305 HB2 CYS 49 HB2 CYS 49 22.377 1.327 -6.068 306 HB3 CYS 49 HB3 CYS 49 21.144 0.331 -5.311 307 H GLU 50 H GLU 50 25.272 0.080 -5.491 308 HA GLU 50 HA GLU 50 26.342 2.625 -4.900 309 HB2 GLU 50 HB2 GLU 50 28.171 1.861 -3.352 310 HB3 GLU 50 HB3 GLU 50 26.567 1.903 -2.637 311 HG2 GLU 50 HG2 GLU 50 26.382 -0.527 -2.956 312 HG3 GLU 50 HG3 GLU 50 28.014 -0.549 -3.619 313 H ARG 51 H ARG 51 26.884 -0.722 -5.753 314 HA ARG 51 HA ARG 51 29.189 0.080 -7.385 315 HB2 ARG 51 HB2 ARG 51 28.366 -2.630 -6.327 316 HB3 ARG 51 HB3 ARG 51 29.705 -2.373 -7.436 317 HG2 ARG 51 HG2 ARG 51 29.523 -1.091 -4.720 318 HG3 ARG 51 HG3 ARG 51 30.348 -2.618 -5.032 319 HD2 ARG 51 HD2 ARG 51 31.922 -1.554 -6.475 320 HD3 ARG 51 HD3 ARG 51 31.000 -0.053 -6.475 321 HE ARG 51 HE ARG 51 31.555 -0.195 -3.925 322 HH11 ARG 51 HH11 ARG 51 33.670 -0.997 -6.600 323 HH12 ARG 51 HH12 ARG 51 35.107 -0.518 -5.769 324 HH21 ARG 51 HH21 ARG 51 33.440 0.443 -2.830 325 HH22 ARG 51 HH22 ARG 51 34.981 0.300 -3.604 326 H SER 52 H SER 52 26.574 0.658 -8.222 327 HA SER 52 HA SER 52 25.425 -1.214 -9.953 328 HB2 SER 52 HB2 SER 52 24.340 0.917 -9.209 329 HB3 SER 52 HB3 SER 52 25.423 1.801 -10.283 330 HG SER 52 HG SER 52 24.245 1.224 -11.943 331 H GLY 53 H GLY 53 26.250 -2.132 -11.695 332 HA2 GLY 53 HA2 GLY 53 28.678 -1.194 -12.880 333 HA3 GLY 53 HA3 GLY 53 27.739 -2.588 -13.387 334 H LYS 54 H LYS 54 25.313 -1.394 -13.983 335 HA LYS 54 HA LYS 54 26.115 0.268 -16.261 336 HB2 LYS 54 HB2 LYS 54 24.101 -0.562 -17.416 337 HB3 LYS 54 HB3 LYS 54 25.240 -1.838 -17.025 338 HG2 LYS 54 HG2 LYS 54 23.855 -2.553 -15.176 339 HG3 LYS 54 HG3 LYS 54 22.744 -1.211 -15.459 340 HD2 LYS 54 HD2 LYS 54 23.350 -3.388 -17.460 341 HD3 LYS 54 HD3 LYS 54 21.946 -3.376 -16.392 342 HE2 LYS 54 HE2 LYS 54 21.188 -1.285 -17.399 343 HE3 LYS 54 HE3 LYS 54 22.604 -1.264 -18.446 344 HZ1 LYS 54 HZ1 LYS 54 20.688 -2.115 -19.613 345 HZ2 LYS 54 HZ2 LYS 54 20.472 -3.320 -18.450 346 HZ3 LYS 54 HZ3 LYS 54 21.842 -3.337 -19.432 347 H VAL 55 H VAL 55 25.098 2.132 -16.689 348 HA VAL 55 HA VAL 55 22.849 2.936 -14.980 349 HB VAL 55 HB VAL 55 25.248 4.693 -15.593 350 HG11 VAL 55 HG11 VAL 55 22.765 5.280 -13.986 351 HG12 VAL 55 HG12 VAL 55 23.176 5.961 -15.561 352 HG13 VAL 55 HG13 VAL 55 24.161 6.347 -14.149 353 HG21 VAL 55 HG21 VAL 55 24.332 3.518 -12.965 354 HG22 VAL 55 HG22 VAL 55 25.663 4.656 -13.174 355 HG23 VAL 55 HG23 VAL 55 25.767 3.040 -13.873 356 H GLY 56 H GLY 56 24.886 4.091 -17.659 357 HA2 GLY 56 HA2 GLY 56 22.433 4.516 -19.222 358 HA3 GLY 56 HA3 GLY 56 23.646 5.784 -19.108 359 H GLY 57 H GLY 57 22.796 4.619 -21.522 360 HA2 GLY 57 HA2 GLY 57 24.666 2.626 -22.385 361 HA3 GLY 57 HA3 GLY 57 23.579 3.546 -23.413 362 H ARG 58 H ARG 58 26.631 3.684 -21.669 363 HA ARG 58 HA ARG 58 28.472 4.976 -21.837 364 HB2 ARG 58 HB2 ARG 58 27.706 4.920 -24.772 365 HB3 ARG 58 HB3 ARG 58 29.216 5.589 -24.175 366 HG2 ARG 58 HG2 ARG 58 29.758 3.360 -23.211 367 HG3 ARG 58 HG3 ARG 58 28.306 2.724 -23.982 368 HD2 ARG 58 HD2 ARG 58 30.251 2.245 -25.357 369 HD3 ARG 58 HD3 ARG 58 29.206 3.395 -26.182 370 HE ARG 58 HE ARG 58 30.776 5.151 -25.471 371 HH11 ARG 58 HH11 ARG 58 31.908 1.832 -25.443 372 HH12 ARG 58 HH12 ARG 58 33.570 2.256 -25.658 373 HH21 ARG 58 HH21 ARG 58 32.998 5.721 -25.750 374 HH22 ARG 58 HH22 ARG 58 34.190 4.470 -25.830 375 H ASP 59 H ASP 59 27.232 6.470 -20.566 376 HA ASP 59 HA ASP 59 26.540 8.538 -19.954 377 HB2 ASP 59 HB2 ASP 59 28.589 9.220 -21.381 378 HB3 ASP 59 HB3 ASP 59 27.423 9.617 -22.640 379 H ILE 60 H ILE 60 25.287 10.581 -21.437 380 HA ILE 60 HA ILE 60 22.762 9.235 -21.925 381 HB ILE 60 HB ILE 60 23.275 12.220 -22.084 382 HG12 ILE 60 HG12 ILE 60 22.456 10.574 -19.675 383 HG13 ILE 60 HG13 ILE 60 24.012 11.366 -19.890 384 HG21 ILE 60 HG21 ILE 60 20.761 10.618 -21.562 385 HG22 ILE 60 HG22 ILE 60 21.157 11.464 -23.057 386 HG23 ILE 60 HG23 ILE 60 20.871 12.378 -21.577 387 HD11 ILE 60 HD11 ILE 60 21.347 12.750 -19.676 388 HD12 ILE 60 HD12 ILE 60 22.911 13.541 -19.868 389 HD13 ILE 60 HD13 ILE 60 22.559 12.628 -18.401 390 H THR 61 H THR 61 24.286 8.343 -23.823 391 HA THR 61 HA THR 61 24.078 10.012 -26.187 392 HB THR 61 HB THR 61 25.037 7.141 -26.001 393 HG1 THR 61 HG1 THR 61 26.597 8.102 -24.885 394 HG21 THR 61 HG21 THR 61 26.201 7.681 -28.102 395 HG22 THR 61 HG22 THR 61 25.498 9.298 -28.076 396 HG23 THR 61 HG23 THR 61 24.458 7.886 -28.270 397 H ASN 62 H ASN 62 21.800 10.180 -26.218 398 HA ASN 62 HA ASN 62 20.492 8.173 -27.760 399 HB2 ASN 62 HB2 ASN 62 20.328 7.131 -25.519 400 HB3 ASN 62 HB3 ASN 62 19.552 8.585 -24.906 401 HD21 ASN 62 HD21 ASN 62 19.199 5.768 -26.888 402 HD22 ASN 62 HD22 ASN 62 17.480 5.843 -27.040 403 H ASN 63 H ASN 63 18.666 8.996 -28.747 404 HA ASN 63 HA ASN 63 17.742 11.642 -27.866 405 HB2 ASN 63 HB2 ASN 63 19.211 11.888 -29.865 406 HB3 ASN 63 HB3 ASN 63 18.109 10.835 -30.754 407 HD21 ASN 63 HD21 ASN 63 18.280 13.856 -28.962 408 HD22 ASN 63 HD22 ASN 63 17.009 14.646 -29.827 409 H GLN 64 H GLN 64 15.641 11.939 -27.822 410 HA GLN 64 HA GLN 64 14.054 9.535 -28.204 411 HB2 GLN 64 HB2 GLN 64 13.271 12.113 -26.846 412 HB3 GLN 64 HB3 GLN 64 12.402 10.590 -26.792 413 HG2 GLN 64 HG2 GLN 64 13.503 10.679 -24.744 414 HG3 GLN 64 HG3 GLN 64 14.514 9.624 -25.730 415 HE21 GLN 64 HE21 GLN 64 14.422 13.109 -26.070 416 HE22 GLN 64 HE22 GLN 64 16.019 13.392 -25.474 417 H LEU 65 H LEU 65 14.678 12.466 -29.754 418 HA LEU 65 HA LEU 65 13.788 13.535 -31.544 419 HB2 LEU 65 HB2 LEU 65 12.249 10.955 -31.846 420 HB3 LEU 65 HB3 LEU 65 12.111 12.277 -32.983 421 HG LEU 65 HG LEU 65 14.644 12.013 -33.321 422 HD11 LEU 65 HD11 LEU 65 15.126 10.628 -31.395 423 HD12 LEU 65 HD12 LEU 65 15.515 9.760 -32.881 424 HD13 LEU 65 HD13 LEU 65 14.040 9.378 -31.997 425 HD21 LEU 65 HD21 LEU 65 12.769 9.820 -34.190 426 HD22 LEU 65 HD22 LEU 65 14.307 10.229 -34.950 427 HD23 LEU 65 HD23 LEU 65 12.976 11.385 -34.978 428 H ASP 66 H ASP 66 11.583 14.265 -32.543 429 HA ASP 66 HA ASP 66 9.753 15.568 -32.259 430 HB2 ASP 66 HB2 ASP 66 8.602 13.446 -32.101 431 HB3 ASP 66 HB3 ASP 66 8.987 13.318 -30.390 432 H GLU 67 H GLU 67 10.572 17.400 -31.398 433 HA GLU 67 HA GLU 67 10.758 17.596 -28.496 434 HB2 GLU 67 HB2 GLU 67 11.700 19.446 -30.686 435 HB3 GLU 67 HB3 GLU 67 11.817 19.820 -28.976 436 HG2 GLU 67 HG2 GLU 67 13.927 19.036 -29.474 437 HG3 GLU 67 HG3 GLU 67 13.139 17.612 -28.810 438 H ALA 68 H ALA 68 9.083 18.330 -27.403 439 HA ALA 68 HA ALA 68 6.877 19.645 -28.672 440 HB1 ALA 68 HB1 ALA 68 6.543 18.093 -26.798 441 HB2 ALA 68 HB2 ALA 68 5.887 19.690 -26.439 442 HB3 ALA 68 HB3 ALA 68 7.425 19.190 -25.735 443 H LEU 69 H LEU 69 6.181 21.772 -28.374 444 HA LEU 69 HA LEU 69 8.240 23.601 -27.329 445 HB2 LEU 69 HB2 LEU 69 6.480 24.042 -29.741 446 HB3 LEU 69 HB3 LEU 69 7.651 25.178 -29.107 447 HG LEU 69 HG LEU 69 8.322 22.475 -30.275 448 HD11 LEU 69 HD11 LEU 69 8.614 25.238 -31.437 449 HD12 LEU 69 HD12 LEU 69 7.485 23.994 -31.971 450 HD13 LEU 69 HD13 LEU 69 9.221 23.749 -32.158 451 HD21 LEU 69 HD21 LEU 69 10.636 23.299 -30.217 452 HD22 LEU 69 HD22 LEU 69 9.939 23.179 -28.602 453 HD23 LEU 69 HD23 LEU 69 10.089 24.753 -29.382 454 H GLU 70 H GLU 70 4.849 23.728 -28.450 455 HA GLU 70 HA GLU 70 2.991 24.692 -27.635 456 HB2 GLU 70 HB2 GLU 70 4.446 24.234 -25.044 457 HB3 GLU 70 HB3 GLU 70 2.901 25.070 -25.074 458 HG2 GLU 70 HG2 GLU 70 3.352 22.315 -26.196 459 HG3 GLU 70 HG3 GLU 70 2.759 22.640 -24.569 460 H GLU 71 H GLU 71 3.783 26.514 -28.931 461 HA GLU 71 HA GLU 71 4.685 28.808 -27.397 462 HB2 GLU 71 HB2 GLU 71 5.668 28.395 -29.637 463 HB3 GLU 71 HB3 GLU 71 4.077 28.556 -30.360 464 HG2 GLU 71 HG2 GLU 71 5.416 30.571 -30.676 465 HG3 GLU 71 HG3 GLU 71 3.987 30.898 -29.700 466 H THR 72 H THR 72 2.748 28.705 -26.116 467 HA THR 72 HA THR 72 0.368 29.821 -27.423 468 HB THR 72 HB THR 72 -0.749 29.154 -25.231 469 HG1 THR 72 HG1 THR 72 0.404 28.080 -23.787 470 HG21 THR 72 HG21 THR 72 -1.020 27.843 -27.286 471 HG22 THR 72 HG22 THR 72 -0.933 26.786 -25.877 472 HG23 THR 72 HG23 THR 72 0.470 26.970 -26.931 473 H PHE 73 H PHE 73 -0.917 31.075 -25.478 474 HA PHE 73 HA PHE 73 0.894 33.242 -24.779 475 HB2 PHE 73 HB2 PHE 73 -2.130 33.102 -24.861 476 HB3 PHE 73 HB3 PHE 73 -1.225 34.516 -24.329 477 HD1 PHE 73 HD1 PHE 73 -2.314 32.550 -27.183 478 HD2 PHE 73 HD2 PHE 73 0.149 35.782 -25.918 479 HE1 PHE 73 HE1 PHE 73 -2.113 33.307 -29.516 480 HE2 PHE 73 HE2 PHE 73 0.349 36.544 -28.245 481 HZ PHE 73 HZ PHE 73 -0.782 35.307 -30.048 482 HA PRO 74 HA PRO 74 1.058 32.253 -20.526 483 HB2 PRO 74 HB2 PRO 74 0.670 35.064 -19.757 484 HB3 PRO 74 HB3 PRO 74 2.104 34.048 -19.594 485 HG2 PRO 74 HG2 PRO 74 1.997 36.063 -21.371 486 HG3 PRO 74 HG3 PRO 74 2.874 34.560 -21.710 487 HD2 PRO 74 HD2 PRO 74 0.155 35.417 -22.635 488 HD3 PRO 74 HD3 PRO 74 1.463 34.636 -23.551 489 H ALA 75 H ALA 75 -0.008 32.543 -18.371 490 HA ALA 75 HA ALA 75 -2.778 32.082 -18.538 491 HB1 ALA 75 HB1 ALA 75 -2.721 32.119 -16.083 492 HB2 ALA 75 HB2 ALA 75 -1.085 32.773 -16.138 493 HB3 ALA 75 HB3 ALA 75 -1.407 31.151 -16.752 494 H SER 76 H SER 76 -0.868 34.862 -17.553 495 HA SER 76 HA SER 76 -3.275 36.489 -17.406 496 HB2 SER 76 HB2 SER 76 -0.393 37.232 -16.840 497 HB3 SER 76 HB3 SER 76 -1.815 38.217 -16.490 498 HG SER 76 HG SER 76 -2.471 36.220 -15.231 499 H ASP 77 H ASP 77 -3.732 36.339 -19.650 500 HA ASP 77 HA ASP 77 -1.832 37.265 -21.573 501 HB2 ASP 77 HB2 ASP 77 -3.658 37.006 -23.209 502 HB3 ASP 77 HB3 ASP 77 -3.484 35.575 -22.204 503 HA PRO 78 HA PRO 78 -2.501 41.614 -21.455 504 HB2 PRO 78 HB2 PRO 78 -2.494 41.575 -24.420 505 HB3 PRO 78 HB3 PRO 78 -1.426 42.437 -23.308 506 HG2 PRO 78 HG2 PRO 78 -0.565 40.305 -24.659 507 HG3 PRO 78 HG3 PRO 78 -0.060 40.595 -22.985 508 HD2 PRO 78 HD2 PRO 78 -2.107 38.686 -24.040 509 HD3 PRO 78 HD3 PRO 78 -0.904 38.458 -22.754 510 H ILE 79 H ILE 79 -4.107 43.142 -21.700 511 HA ILE 79 HA ILE 79 -6.714 42.098 -22.370 512 HB ILE 79 HB ILE 79 -5.936 44.885 -21.477 513 HG12 ILE 79 HG12 ILE 79 -5.333 43.232 -19.787 514 HG13 ILE 79 HG13 ILE 79 -6.720 44.168 -19.244 515 HG21 ILE 79 HG21 ILE 79 -8.303 45.138 -20.883 516 HG22 ILE 79 HG22 ILE 79 -8.636 43.537 -21.545 517 HG23 ILE 79 HG23 ILE 79 -8.096 44.836 -22.609 518 HD11 ILE 79 HD11 ILE 79 -6.787 41.379 -20.384 519 HD12 ILE 79 HD12 ILE 79 -8.196 42.315 -19.886 520 HD13 ILE 79 HD13 ILE 79 -6.994 41.830 -18.691 521 H SER 80 H SER 80 -7.676 42.266 -24.237 522 HA SER 80 HA SER 80 -6.476 43.501 -26.474 523 HB2 SER 80 HB2 SER 80 -9.327 42.556 -26.149 524 HB3 SER 80 HB3 SER 80 -8.449 42.754 -27.669 525 HG SER 80 HG SER 80 -8.340 40.733 -25.778 526 HA PRO 81 HA PRO 81 -8.184 47.596 -25.973 527 HB2 PRO 81 HB2 PRO 81 -7.628 48.610 -28.393 528 HB3 PRO 81 HB3 PRO 81 -6.348 48.233 -27.232 529 HG2 PRO 81 HG2 PRO 81 -7.278 46.655 -29.600 530 HG3 PRO 81 HG3 PRO 81 -5.625 46.972 -29.047 531 HD2 PRO 81 HD2 PRO 81 -6.987 44.643 -28.543 532 HD3 PRO 81 HD3 PRO 81 -5.684 45.270 -27.514 Start of MODEL 7 1 HA ASN 1 HA ASN 1 2.970 -6.572 -2.977 2 HB2 ASN 1 HB2 ASN 1 3.088 -4.981 -5.555 3 HB3 ASN 1 HB3 ASN 1 4.111 -6.366 -5.207 4 HD21 ASN 1 HD21 ASN 1 3.330 -7.578 -6.898 5 HD22 ASN 1 HD22 ASN 1 1.736 -8.246 -6.918 6 H GLU 2 H GLU 2 5.328 -6.514 -2.991 7 HA GLU 2 HA GLU 2 6.313 -4.358 -1.473 8 HB2 GLU 2 HB2 GLU 2 7.781 -6.603 -2.864 9 HB3 GLU 2 HB3 GLU 2 8.546 -5.453 -1.781 10 HG2 GLU 2 HG2 GLU 2 8.177 -7.306 -0.431 11 HG3 GLU 2 HG3 GLU 2 6.830 -6.244 -0.039 12 H LEU 3 H LEU 3 8.062 -2.910 -1.995 13 HA LEU 3 HA LEU 3 7.773 -1.900 -4.714 14 HB2 LEU 3 HB2 LEU 3 8.404 -0.677 -2.093 15 HB3 LEU 3 HB3 LEU 3 9.173 0.036 -3.493 16 HG LEU 3 HG LEU 3 7.063 1.171 -2.814 17 HD11 LEU 3 HD11 LEU 3 7.014 -0.118 -5.536 18 HD12 LEU 3 HD12 LEU 3 7.887 1.347 -5.095 19 HD13 LEU 3 HD13 LEU 3 6.124 1.327 -5.058 20 HD21 LEU 3 HD21 LEU 3 4.930 0.119 -3.232 21 HD22 LEU 3 HD22 LEU 3 5.852 -0.863 -2.091 22 HD23 LEU 3 HD23 LEU 3 5.729 -1.353 -3.778 23 H ARG 4 H ARG 4 9.544 -1.255 -5.942 24 HA ARG 4 HA ARG 4 11.984 -2.768 -5.339 25 HB2 ARG 4 HB2 ARG 4 12.345 -2.926 -7.718 26 HB3 ARG 4 HB3 ARG 4 10.710 -3.457 -7.333 27 HG2 ARG 4 HG2 ARG 4 9.780 -1.405 -8.118 28 HG3 ARG 4 HG3 ARG 4 11.387 -0.714 -8.354 29 HD2 ARG 4 HD2 ARG 4 11.863 -2.404 -10.048 30 HD3 ARG 4 HD3 ARG 4 10.262 -3.102 -9.805 31 HE ARG 4 HE ARG 4 9.554 -0.666 -10.443 32 HH11 ARG 4 HH11 ARG 4 12.085 -2.619 -11.905 33 HH12 ARG 4 HH12 ARG 4 11.956 -1.876 -13.457 34 HH21 ARG 4 HH21 ARG 4 9.379 0.329 -12.518 35 HH22 ARG 4 HH22 ARG 4 10.414 -0.184 -13.807 36 H CYS 5 H CYS 5 14.001 -1.803 -5.878 37 HA CYS 5 HA CYS 5 13.995 1.063 -5.487 38 HB2 CYS 5 HB2 CYS 5 15.559 -0.303 -4.202 39 HB3 CYS 5 HB3 CYS 5 16.287 -0.894 -5.686 40 H GLY 6 H GLY 6 14.828 2.582 -6.910 41 HA2 GLY 6 HA2 GLY 6 14.538 1.907 -9.677 42 HA3 GLY 6 HA3 GLY 6 14.925 3.487 -9.019 43 H CYS 7 H CYS 7 17.240 1.920 -7.553 44 HA CYS 7 HA CYS 7 19.131 2.447 -9.670 45 HB2 CYS 7 HB2 CYS 7 19.772 3.211 -7.479 46 HB3 CYS 7 HB3 CYS 7 19.539 1.611 -6.791 47 HA PRO 8 HA PRO 8 18.887 -1.805 -11.028 48 HB2 PRO 8 HB2 PRO 8 20.720 -1.514 -13.020 49 HB3 PRO 8 HB3 PRO 8 19.029 -1.032 -13.161 50 HG2 PRO 8 HG2 PRO 8 21.433 0.642 -12.568 51 HG3 PRO 8 HG3 PRO 8 20.059 0.995 -13.632 52 HD2 PRO 8 HD2 PRO 8 20.273 2.044 -11.166 53 HD3 PRO 8 HD3 PRO 8 18.700 1.621 -11.874 54 H ASP 9 H ASP 9 21.736 -0.130 -9.945 55 HA ASP 9 HA ASP 9 23.302 -2.602 -9.918 56 HB2 ASP 9 HB2 ASP 9 23.963 0.282 -9.541 57 HB3 ASP 9 HB3 ASP 9 25.021 -0.927 -8.822 58 H CYS 10 H CYS 10 21.138 -1.083 -7.985 59 HA CYS 10 HA CYS 10 22.439 -1.841 -5.486 60 HB2 CYS 10 HB2 CYS 10 21.566 0.368 -5.456 61 HB3 CYS 10 HB3 CYS 10 20.025 -0.171 -6.118 62 H HIS 11 H HIS 11 21.579 -3.346 -4.100 63 HA HIS 11 HA HIS 11 19.193 -4.775 -5.054 64 HB2 HIS 11 HB2 HIS 11 21.709 -5.950 -3.885 65 HB3 HIS 11 HB3 HIS 11 20.190 -6.838 -3.940 66 HD2 HIS 11 HD2 HIS 11 22.398 -4.991 -6.654 67 HE1 HIS 11 HE1 HIS 11 20.760 -8.532 -8.305 68 HE2 HIS 11 HE2 HIS 11 22.426 -6.672 -8.613 69 H CYS 12 H CYS 12 17.804 -3.650 -3.749 70 HA CYS 12 HA CYS 12 17.832 -4.511 -0.955 71 HB2 CYS 12 HB2 CYS 12 17.743 -1.666 -1.893 72 HB3 CYS 12 HB3 CYS 12 16.873 -2.120 -0.437 73 H LYS 13 H LYS 13 15.857 -4.864 -0.073 74 HA LYS 13 HA LYS 13 13.617 -4.953 -1.913 75 HB2 LYS 13 HB2 LYS 13 13.971 -5.977 0.903 76 HB3 LYS 13 HB3 LYS 13 12.489 -6.149 -0.020 77 HG2 LYS 13 HG2 LYS 13 13.656 -7.495 -1.678 78 HG3 LYS 13 HG3 LYS 13 15.166 -7.293 -0.789 79 HD2 LYS 13 HD2 LYS 13 12.679 -8.574 0.343 80 HD3 LYS 13 HD3 LYS 13 14.032 -9.467 -0.357 81 HE2 LYS 13 HE2 LYS 13 15.534 -8.548 1.320 82 HE3 LYS 13 HE3 LYS 13 14.223 -7.585 1.993 83 HZ1 LYS 13 HZ1 LYS 13 14.332 -10.548 1.934 84 HZ2 LYS 13 HZ2 LYS 13 13.078 -9.619 2.592 85 HZ3 LYS 13 HZ3 LYS 13 14.619 -9.570 3.283 86 H VAL 14 H VAL 14 12.831 -2.977 -2.131 87 HA VAL 14 HA VAL 14 12.633 -1.096 -0.003 88 HB VAL 14 HB VAL 14 11.213 -0.974 -2.664 89 HG11 VAL 14 HG11 VAL 14 10.460 0.673 -1.061 90 HG12 VAL 14 HG12 VAL 14 11.406 1.444 -2.340 91 HG13 VAL 14 HG13 VAL 14 12.128 1.164 -0.756 92 HG21 VAL 14 HG21 VAL 14 13.186 0.294 -3.454 93 HG22 VAL 14 HG22 VAL 14 13.535 -1.399 -3.105 94 HG23 VAL 14 HG23 VAL 14 14.022 -0.148 -1.964 95 H ASP 15 H ASP 15 11.024 -0.766 1.380 96 HA ASP 15 HA ASP 15 8.769 -2.583 1.368 97 HB2 ASP 15 HB2 ASP 15 10.186 -1.626 3.416 98 HB3 ASP 15 HB3 ASP 15 8.996 -0.343 3.277 99 HA PRO 16 HA PRO 16 5.974 0.347 -0.520 100 HB2 PRO 16 HB2 PRO 16 3.859 -0.952 1.074 101 HB3 PRO 16 HB3 PRO 16 4.016 -0.834 -0.682 102 HG2 PRO 16 HG2 PRO 16 4.393 -3.158 0.580 103 HG3 PRO 16 HG3 PRO 16 5.395 -2.694 -0.809 104 HD2 PRO 16 HD2 PRO 16 6.029 -2.545 2.116 105 HD3 PRO 16 HD3 PRO 16 7.050 -3.110 0.779 106 H GLU 17 H GLU 17 6.423 -0.103 2.846 107 HA GLU 17 HA GLU 17 4.748 2.209 3.483 108 HB2 GLU 17 HB2 GLU 17 6.003 0.099 5.247 109 HB3 GLU 17 HB3 GLU 17 5.099 1.481 5.857 110 HG2 GLU 17 HG2 GLU 17 3.081 0.715 4.912 111 HG3 GLU 17 HG3 GLU 17 3.910 -0.462 3.901 112 H ARG 18 H ARG 18 7.927 1.569 2.697 113 HA ARG 18 HA ARG 18 8.798 4.073 3.945 114 HB2 ARG 18 HB2 ARG 18 10.279 1.456 4.195 115 HB3 ARG 18 HB3 ARG 18 11.028 3.010 4.506 116 HG2 ARG 18 HG2 ARG 18 9.264 3.397 6.245 117 HG3 ARG 18 HG3 ARG 18 8.769 1.721 5.997 118 HD2 ARG 18 HD2 ARG 18 11.155 1.072 6.494 119 HD3 ARG 18 HD3 ARG 18 11.416 2.737 7.009 120 HE ARG 18 HE ARG 18 9.171 1.460 8.273 121 HH11 ARG 18 HH11 ARG 18 12.621 2.068 8.465 122 HH12 ARG 18 HH12 ARG 18 12.726 1.702 10.150 123 HH21 ARG 18 HH21 ARG 18 9.304 0.970 10.509 124 HH22 ARG 18 HH22 ARG 18 10.828 1.071 11.319 125 H VAL 19 H VAL 19 8.122 3.237 1.228 126 HA VAL 19 HA VAL 19 10.589 3.082 -0.225 127 HB VAL 19 HB VAL 19 8.737 2.023 -1.323 128 HG11 VAL 19 HG11 VAL 19 6.920 3.201 -0.202 129 HG12 VAL 19 HG12 VAL 19 6.695 3.209 -1.952 130 HG13 VAL 19 HG13 VAL 19 7.282 4.656 -1.132 131 HG21 VAL 19 HG21 VAL 19 8.604 3.180 -3.456 132 HG22 VAL 19 HG22 VAL 19 10.253 3.179 -2.829 133 HG23 VAL 19 HG23 VAL 19 9.267 4.638 -2.720 134 H PHE 20 H PHE 20 11.922 4.701 -0.651 135 HA PHE 20 HA PHE 20 11.062 7.429 -0.318 136 HB2 PHE 20 HB2 PHE 20 13.686 6.102 -0.944 137 HB3 PHE 20 HB3 PHE 20 13.490 7.847 -1.056 138 HD1 PHE 20 HD1 PHE 20 13.186 4.979 1.277 139 HD2 PHE 20 HD2 PHE 20 13.644 9.180 0.831 140 HE1 PHE 20 HE1 PHE 20 13.611 5.181 3.691 141 HE2 PHE 20 HE2 PHE 20 14.069 9.395 3.239 142 HZ PHE 20 HZ PHE 20 14.053 7.394 4.678 143 H ASN 21 H ASN 21 9.957 8.329 -1.897 144 HA ASN 21 HA ASN 21 10.346 7.379 -4.618 145 HB2 ASN 21 HB2 ASN 21 8.304 9.401 -3.713 146 HB3 ASN 21 HB3 ASN 21 8.282 8.417 -5.170 147 HD21 ASN 21 HD21 ASN 21 7.851 6.155 -4.950 148 HD22 ASN 21 HD22 ASN 21 6.971 5.572 -3.583 149 H HIS 22 H HIS 22 10.932 8.637 -6.309 150 HA HIS 22 HA HIS 22 11.567 11.451 -5.842 151 HB2 HIS 22 HB2 HIS 22 13.663 10.172 -5.473 152 HB3 HIS 22 HB3 HIS 22 13.514 9.493 -7.085 153 HD2 HIS 22 HD2 HIS 22 14.332 12.957 -5.418 154 HE1 HIS 22 HE1 HIS 22 15.634 13.038 -9.449 155 HE2 HIS 22 HE2 HIS 22 15.821 14.108 -7.184 156 H ASP 23 H ASP 23 10.310 12.423 -7.253 157 HA ASP 23 HA ASP 23 9.328 13.066 -9.198 158 HB2 ASP 23 HB2 ASP 23 11.720 13.038 -9.970 159 HB3 ASP 23 HB3 ASP 23 11.464 11.403 -10.563 160 H GLY 24 H GLY 24 8.656 10.484 -7.859 161 HA2 GLY 24 HA2 GLY 24 6.676 9.243 -8.323 162 HA3 GLY 24 HA3 GLY 24 7.006 9.425 -10.036 163 H GLU 25 H GLU 25 9.920 8.657 -8.887 164 HA GLU 25 HA GLU 25 9.520 5.837 -9.505 165 HB2 GLU 25 HB2 GLU 25 11.667 7.736 -9.869 166 HB3 GLU 25 HB3 GLU 25 12.242 6.279 -9.063 167 HG2 GLU 25 HG2 GLU 25 11.345 4.917 -10.855 168 HG3 GLU 25 HG3 GLU 25 10.718 6.356 -11.659 169 H ALA 26 H ALA 26 10.438 4.189 -8.214 170 HA ALA 26 HA ALA 26 10.295 4.843 -5.367 171 HB1 ALA 26 HB1 ALA 26 10.157 2.189 -6.785 172 HB2 ALA 26 HB2 ALA 26 8.784 3.128 -6.200 173 HB3 ALA 26 HB3 ALA 26 9.940 2.446 -5.054 174 H TYR 27 H TYR 27 11.957 4.479 -3.976 175 HA TYR 27 HA TYR 27 14.359 3.108 -4.930 176 HB2 TYR 27 HB2 TYR 27 14.299 5.931 -3.848 177 HB3 TYR 27 HB3 TYR 27 15.774 4.975 -3.977 178 HD1 TYR 27 HD1 TYR 27 13.359 7.035 -5.708 179 HD2 TYR 27 HD2 TYR 27 16.584 4.318 -6.250 180 HE1 TYR 27 HE1 TYR 27 13.606 7.799 -8.028 181 HE2 TYR 27 HE2 TYR 27 16.847 5.082 -8.567 182 HH TYR 27 HH TYR 27 15.075 6.199 -10.321 183 H CYS 28 H CYS 28 15.825 2.498 -3.157 184 HA CYS 28 HA CYS 28 14.313 1.531 -0.942 185 HB2 CYS 28 HB2 CYS 28 16.355 0.498 -0.178 186 HB3 CYS 28 HB3 CYS 28 16.262 0.311 -1.923 187 H SER 29 H SER 29 16.453 4.210 -1.457 188 HA SER 29 HA SER 29 15.561 5.425 0.977 189 HB2 SER 29 HB2 SER 29 17.547 3.870 1.552 190 HB3 SER 29 HB3 SER 29 18.536 5.038 0.685 191 HG SER 29 HG SER 29 17.572 5.164 3.179 192 H GLN 30 H GLN 30 16.424 7.633 1.168 193 HA GLN 30 HA GLN 30 16.140 9.106 -1.165 194 HB2 GLN 30 HB2 GLN 30 16.072 9.776 1.391 195 HB3 GLN 30 HB3 GLN 30 17.746 10.227 1.104 196 HG2 GLN 30 HG2 GLN 30 17.072 11.796 -0.604 197 HG3 GLN 30 HG3 GLN 30 15.396 11.267 -0.460 198 HE21 GLN 30 HE21 GLN 30 17.962 13.074 1.019 199 HE22 GLN 30 HE22 GLN 30 16.990 13.910 2.179 200 H ALA 31 H ALA 31 18.996 7.632 0.175 201 HA ALA 31 HA ALA 31 21.037 9.010 -1.123 202 HB1 ALA 31 HB1 ALA 31 22.373 6.976 -0.836 203 HB2 ALA 31 HB2 ALA 31 20.908 6.056 -0.496 204 HB3 ALA 31 HB3 ALA 31 21.431 7.316 0.616 205 H CYS 32 H CYS 32 19.313 6.073 -2.257 206 HA CYS 32 HA CYS 32 20.506 6.214 -4.855 207 HB2 CYS 32 HB2 CYS 32 18.437 4.481 -3.572 208 HB3 CYS 32 HB3 CYS 32 18.571 4.501 -5.324 209 H ALA 33 H ALA 33 17.725 7.541 -3.332 210 HA ALA 33 HA ALA 33 16.063 7.927 -5.531 211 HB1 ALA 33 HB1 ALA 33 15.341 8.294 -3.213 212 HB2 ALA 33 HB2 ALA 33 15.006 9.700 -4.220 213 HB3 ALA 33 HB3 ALA 33 16.378 9.717 -3.116 214 H GLU 34 H GLU 34 18.746 9.900 -4.280 215 HA GLU 34 HA GLU 34 18.450 11.828 -6.418 216 HB2 GLU 34 HB2 GLU 34 20.636 11.572 -4.354 217 HB3 GLU 34 HB3 GLU 34 20.402 12.932 -5.441 218 HG2 GLU 34 HG2 GLU 34 18.035 12.980 -4.313 219 HG3 GLU 34 HG3 GLU 34 18.885 12.135 -3.027 220 H GLN 35 H GLN 35 19.499 8.801 -6.440 221 HA GLN 35 HA GLN 35 20.782 7.521 -7.813 222 HB2 GLN 35 HB2 GLN 35 21.037 9.990 -9.523 223 HB3 GLN 35 HB3 GLN 35 21.170 8.313 -10.040 224 HG2 GLN 35 HG2 GLN 35 18.818 7.959 -9.536 225 HG3 GLN 35 HG3 GLN 35 18.678 9.627 -8.984 226 HE21 GLN 35 HE21 GLN 35 18.958 7.526 -11.688 227 HE22 GLN 35 HE22 GLN 35 18.615 8.700 -12.906 228 H HIS 36 H HIS 36 22.075 8.665 -5.673 229 HA HIS 36 HA HIS 36 24.126 9.032 -4.771 230 HB2 HIS 36 HB2 HIS 36 25.236 7.948 -7.352 231 HB3 HIS 36 HB3 HIS 36 26.040 7.975 -5.785 232 HD1 HIS 36 HD1 HIS 36 25.010 6.302 -3.943 233 HD2 HIS 36 HD2 HIS 36 23.685 5.788 -7.853 234 HE1 HIS 36 HE1 HIS 36 23.948 4.025 -4.008 235 HA PRO 37 HA PRO 37 24.598 12.904 -7.142 236 HB2 PRO 37 HB2 PRO 37 24.152 14.581 -5.082 237 HB3 PRO 37 HB3 PRO 37 22.835 13.826 -5.985 238 HG2 PRO 37 HG2 PRO 37 23.953 13.121 -3.318 239 HG3 PRO 37 HG3 PRO 37 22.272 13.083 -3.873 240 HD2 PRO 37 HD2 PRO 37 23.927 10.868 -3.678 241 HD3 PRO 37 HD3 PRO 37 22.488 10.963 -4.709 242 H ASN 38 H ASN 38 25.858 12.164 -3.912 243 HA ASN 38 HA ASN 38 28.287 13.644 -4.609 244 HB2 ASN 38 HB2 ASN 38 26.993 13.049 -1.984 245 HB3 ASN 38 HB3 ASN 38 28.731 13.327 -2.044 246 HD21 ASN 38 HD21 ASN 38 25.701 14.696 -3.127 247 HD22 ASN 38 HD22 ASN 38 26.144 16.354 -2.933 248 H GLY 39 H GLY 39 27.187 10.706 -4.933 249 HA2 GLY 39 HA2 GLY 39 28.422 8.822 -5.515 250 HA3 GLY 39 HA3 GLY 39 29.804 9.466 -4.653 251 H GLU 40 H GLU 40 27.419 9.916 -2.523 252 HA GLU 40 HA GLU 40 28.228 7.841 -0.834 253 HB2 GLU 40 HB2 GLU 40 25.743 9.550 -0.715 254 HB3 GLU 40 HB3 GLU 40 26.216 8.427 0.546 255 HG2 GLU 40 HG2 GLU 40 28.368 9.724 0.738 256 HG3 GLU 40 HG3 GLU 40 27.637 10.929 -0.322 257 HA PRO 41 HA PRO 41 25.856 4.413 -2.504 258 HB2 PRO 41 HB2 PRO 41 26.633 3.208 0.084 259 HB3 PRO 41 HB3 PRO 41 26.946 2.634 -1.556 260 HG2 PRO 41 HG2 PRO 41 28.904 3.651 -0.036 261 HG3 PRO 41 HG3 PRO 41 28.853 3.919 -1.786 262 HD2 PRO 41 HD2 PRO 41 28.113 5.766 0.440 263 HD3 PRO 41 HD3 PRO 41 28.944 6.107 -1.094 264 H CYS 42 H CYS 42 24.131 2.915 -1.463 265 HA CYS 42 HA CYS 42 22.292 4.556 -0.007 266 HB2 CYS 42 HB2 CYS 42 20.741 2.705 -0.224 267 HB3 CYS 42 HB3 CYS 42 21.585 2.889 -1.753 268 HA PRO 43 HA PRO 43 23.288 3.552 4.139 269 HB2 PRO 43 HB2 PRO 43 20.877 3.047 5.306 270 HB3 PRO 43 HB3 PRO 43 21.415 4.661 4.807 271 HG2 PRO 43 HG2 PRO 43 19.661 2.726 3.343 272 HG3 PRO 43 HG3 PRO 43 19.407 4.456 3.643 273 HD2 PRO 43 HD2 PRO 43 20.338 3.613 1.309 274 HD3 PRO 43 HD3 PRO 43 20.979 5.090 2.052 275 H ALA 44 H ALA 44 22.704 1.040 2.188 276 HA ALA 44 HA ALA 44 22.393 -1.010 4.253 277 HB1 ALA 44 HB1 ALA 44 22.356 -2.584 2.367 278 HB2 ALA 44 HB2 ALA 44 22.673 -1.253 1.254 279 HB3 ALA 44 HB3 ALA 44 21.160 -1.305 2.159 280 HA PRO 45 HA PRO 45 26.783 -1.182 4.591 281 HB2 PRO 45 HB2 PRO 45 27.033 -3.308 6.223 282 HB3 PRO 45 HB3 PRO 45 26.378 -1.765 6.781 283 HG2 PRO 45 HG2 PRO 45 24.933 -4.265 6.007 284 HG3 PRO 45 HG3 PRO 45 24.615 -3.161 7.358 285 HD2 PRO 45 HD2 PRO 45 23.219 -3.140 4.989 286 HD3 PRO 45 HD3 PRO 45 23.397 -1.726 6.047 287 H ASP 46 H ASP 46 25.000 -4.014 3.535 288 HA ASP 46 HA ASP 46 27.473 -5.258 2.616 289 HB2 ASP 46 HB2 ASP 46 25.822 -6.662 3.798 290 HB3 ASP 46 HB3 ASP 46 24.653 -6.341 2.524 291 H CYS 47 H CYS 47 25.226 -3.140 1.428 292 HA CYS 47 HA CYS 47 25.325 -4.091 -1.299 293 HB2 CYS 47 HB2 CYS 47 23.358 -2.847 -0.172 294 HB3 CYS 47 HB3 CYS 47 24.325 -1.398 -0.432 295 H HIS 48 H HIS 48 26.381 -2.952 -2.998 296 HA HIS 48 HA HIS 48 28.496 -1.137 -2.066 297 HB2 HIS 48 HB2 HIS 48 28.850 -3.575 -3.800 298 HB3 HIS 48 HB3 HIS 48 30.049 -2.291 -3.707 299 HD1 HIS 48 HD1 HIS 48 31.648 -2.360 -1.772 300 HD2 HIS 48 HD2 HIS 48 28.462 -4.984 -1.305 301 HE1 HIS 48 HE1 HIS 48 32.224 -3.783 0.229 302 HE2 HIS 48 HE2 HIS 48 30.215 -5.261 0.570 303 H CYS 49 H CYS 49 26.030 -0.457 -3.443 304 HA CYS 49 HA CYS 49 26.961 0.190 -6.112 305 HB2 CYS 49 HB2 CYS 49 24.717 1.017 -6.527 306 HB3 CYS 49 HB3 CYS 49 24.625 -0.572 -5.782 307 H GLU 50 H GLU 50 27.058 2.333 -6.872 308 HA GLU 50 HA GLU 50 26.836 4.740 -5.487 309 HB2 GLU 50 HB2 GLU 50 29.172 5.188 -4.804 310 HB3 GLU 50 HB3 GLU 50 28.490 3.846 -3.892 311 HG2 GLU 50 HG2 GLU 50 29.635 2.285 -5.476 312 HG3 GLU 50 HG3 GLU 50 30.433 3.681 -6.190 313 H ARG 51 H ARG 51 28.497 2.707 -7.677 314 HA ARG 51 HA ARG 51 29.262 4.927 -9.413 315 HB2 ARG 51 HB2 ARG 51 30.795 3.118 -10.372 316 HB3 ARG 51 HB3 ARG 51 31.161 3.727 -8.764 317 HG2 ARG 51 HG2 ARG 51 29.923 1.734 -7.841 318 HG3 ARG 51 HG3 ARG 51 29.890 1.099 -9.486 319 HD2 ARG 51 HD2 ARG 51 32.370 1.800 -7.910 320 HD3 ARG 51 HD3 ARG 51 31.749 0.172 -8.181 321 HE ARG 51 HE ARG 51 32.475 1.863 -10.467 322 HH11 ARG 51 HH11 ARG 51 33.004 -1.030 -8.550 323 HH12 ARG 51 HH12 ARG 51 34.045 -1.763 -9.713 324 HH21 ARG 51 HH21 ARG 51 33.857 0.896 -12.004 325 HH22 ARG 51 HH22 ARG 51 34.532 -0.668 -11.699 326 H SER 52 H SER 52 26.578 3.858 -9.313 327 HA SER 52 HA SER 52 26.209 2.085 -11.537 328 HB2 SER 52 HB2 SER 52 24.670 2.217 -9.537 329 HB3 SER 52 HB3 SER 52 24.116 3.775 -10.143 330 HG SER 52 HG SER 52 23.981 1.317 -11.582 331 H GLY 53 H GLY 53 26.311 5.519 -11.043 332 HA2 GLY 53 HA2 GLY 53 26.650 7.100 -12.737 333 HA3 GLY 53 HA3 GLY 53 26.068 5.929 -13.914 334 H LYS 54 H LYS 54 25.076 8.267 -14.333 335 HA LYS 54 HA LYS 54 22.603 8.609 -12.851 336 HB2 LYS 54 HB2 LYS 54 23.894 10.229 -15.058 337 HB3 LYS 54 HB3 LYS 54 22.293 10.587 -14.432 338 HG2 LYS 54 HG2 LYS 54 23.749 12.059 -13.306 339 HG3 LYS 54 HG3 LYS 54 23.382 10.790 -12.141 340 HD2 LYS 54 HD2 LYS 54 25.550 9.681 -12.858 341 HD3 LYS 54 HD3 LYS 54 25.916 11.163 -13.742 342 HE2 LYS 54 HE2 LYS 54 26.992 11.246 -11.584 343 HE3 LYS 54 HE3 LYS 54 25.689 12.430 -11.625 344 HZ1 LYS 54 HZ1 LYS 54 25.746 11.191 -9.540 345 HZ2 LYS 54 HZ2 LYS 54 25.512 9.740 -10.370 346 HZ3 LYS 54 HZ3 LYS 54 24.298 10.919 -10.366 347 H VAL 55 H VAL 55 21.211 7.052 -13.343 348 HA VAL 55 HA VAL 55 20.935 6.074 -16.062 349 HB VAL 55 HB VAL 55 19.431 5.183 -13.598 350 HG11 VAL 55 HG11 VAL 55 19.920 3.810 -16.238 351 HG12 VAL 55 HG12 VAL 55 18.392 4.495 -15.684 352 HG13 VAL 55 HG13 VAL 55 19.089 3.105 -14.851 353 HG21 VAL 55 HG21 VAL 55 21.810 4.946 -13.194 354 HG22 VAL 55 HG22 VAL 55 22.012 4.118 -14.737 355 HG23 VAL 55 HG23 VAL 55 21.081 3.359 -13.446 356 H GLY 56 H GLY 56 19.318 6.543 -17.425 357 HA2 GLY 56 HA2 GLY 56 17.062 6.949 -17.992 358 HA3 GLY 56 HA3 GLY 56 16.781 7.544 -16.364 359 H GLY 57 H GLY 57 19.586 8.738 -17.906 360 HA2 GLY 57 HA2 GLY 57 18.129 11.233 -18.509 361 HA3 GLY 57 HA3 GLY 57 19.709 11.217 -17.741 362 H ARG 58 H ARG 58 18.051 11.421 -20.655 363 HA ARG 58 HA ARG 58 20.293 10.564 -22.287 364 HB2 ARG 58 HB2 ARG 58 18.922 11.071 -24.198 365 HB3 ARG 58 HB3 ARG 58 17.909 10.233 -23.034 366 HG2 ARG 58 HG2 ARG 58 16.898 12.334 -22.361 367 HG3 ARG 58 HG3 ARG 58 17.968 13.217 -23.449 368 HD2 ARG 58 HD2 ARG 58 16.971 11.984 -25.362 369 HD3 ARG 58 HD3 ARG 58 15.848 11.213 -24.240 370 HE ARG 58 HE ARG 58 15.830 14.092 -24.129 371 HH11 ARG 58 HH11 ARG 58 14.477 11.278 -25.725 372 HH12 ARG 58 HH12 ARG 58 13.025 12.087 -26.203 373 HH21 ARG 58 HH21 ARG 58 13.914 15.165 -24.756 374 HH22 ARG 58 HH22 ARG 58 12.707 14.308 -25.649 375 H ASP 59 H ASP 59 21.142 12.126 -23.946 376 HA ASP 59 HA ASP 59 22.092 14.464 -22.607 377 HB2 ASP 59 HB2 ASP 59 22.384 13.600 -25.489 378 HB3 ASP 59 HB3 ASP 59 23.244 14.947 -24.754 379 H ILE 60 H ILE 60 21.522 16.566 -22.874 380 HA ILE 60 HA ILE 60 18.904 17.050 -23.923 381 HB ILE 60 HB ILE 60 20.890 19.052 -22.819 382 HG12 ILE 60 HG12 ILE 60 18.616 17.604 -21.437 383 HG13 ILE 60 HG13 ILE 60 20.328 17.278 -21.195 384 HG21 ILE 60 HG21 ILE 60 19.151 20.101 -24.162 385 HG22 ILE 60 HG22 ILE 60 18.905 20.463 -22.454 386 HG23 ILE 60 HG23 ILE 60 17.906 19.246 -23.251 387 HD11 ILE 60 HD11 ILE 60 20.619 19.534 -20.294 388 HD12 ILE 60 HD12 ILE 60 19.425 18.611 -19.382 389 HD13 ILE 60 HD13 ILE 60 18.899 19.844 -20.528 390 H THR 61 H THR 61 19.133 16.627 -26.104 391 HA THR 61 HA THR 61 20.439 18.785 -27.620 392 HB THR 61 HB THR 61 20.685 17.067 -29.480 393 HG1 THR 61 HG1 THR 61 20.911 14.863 -28.296 394 HG21 THR 61 HG21 THR 61 22.598 17.825 -28.144 395 HG22 THR 61 HG22 THR 61 22.749 16.115 -28.549 396 HG23 THR 61 HG23 THR 61 22.242 16.597 -26.930 397 H ASN 62 H ASN 62 17.705 18.539 -26.603 398 HA ASN 62 HA ASN 62 16.107 18.014 -28.968 399 HB2 ASN 62 HB2 ASN 62 15.272 17.226 -26.790 400 HB3 ASN 62 HB3 ASN 62 15.262 18.878 -26.189 401 HD21 ASN 62 HD21 ASN 62 13.703 16.573 -28.261 402 HD22 ASN 62 HD22 ASN 62 12.262 17.486 -28.527 403 H ASN 63 H ASN 63 17.029 19.692 -30.220 404 HA ASN 63 HA ASN 63 16.987 21.689 -31.271 405 HB2 ASN 63 HB2 ASN 63 14.490 22.089 -29.627 406 HB3 ASN 63 HB3 ASN 63 15.021 23.197 -30.886 407 HD21 ASN 63 HD21 ASN 63 15.025 22.480 -33.048 408 HD22 ASN 63 HD22 ASN 63 14.043 21.153 -33.547 409 H GLN 64 H GLN 64 18.565 23.052 -30.933 410 HA GLN 64 HA GLN 64 19.105 24.144 -28.332 411 HB2 GLN 64 HB2 GLN 64 20.896 25.438 -29.492 412 HB3 GLN 64 HB3 GLN 64 20.995 23.707 -29.773 413 HG2 GLN 64 HG2 GLN 64 20.385 23.894 -31.979 414 HG3 GLN 64 HG3 GLN 64 19.545 25.420 -31.722 415 HE21 GLN 64 HE21 GLN 64 20.583 26.386 -33.408 416 HE22 GLN 64 HE22 GLN 64 22.248 26.854 -33.335 417 H LEU 65 H LEU 65 17.554 25.182 -31.267 418 HA LEU 65 HA LEU 65 16.113 26.837 -31.757 419 HB2 LEU 65 HB2 LEU 65 16.113 27.375 -28.794 420 HB3 LEU 65 HB3 LEU 65 15.004 28.091 -29.948 421 HG LEU 65 HG LEU 65 15.201 25.162 -29.254 422 HD11 LEU 65 HD11 LEU 65 13.060 27.202 -28.682 423 HD12 LEU 65 HD12 LEU 65 14.177 26.509 -27.506 424 HD13 LEU 65 HD13 LEU 65 12.982 25.481 -28.300 425 HD21 LEU 65 HD21 LEU 65 14.628 25.446 -31.594 426 HD22 LEU 65 HD22 LEU 65 13.368 26.603 -31.168 427 HD23 LEU 65 HD23 LEU 65 13.216 24.914 -30.682 428 H ASP 66 H ASP 66 16.215 28.836 -32.537 429 HA ASP 66 HA ASP 66 18.429 30.530 -31.611 430 HB2 ASP 66 HB2 ASP 66 18.400 31.509 -33.937 431 HB3 ASP 66 HB3 ASP 66 18.914 29.830 -33.848 432 H GLU 67 H GLU 67 15.103 30.359 -32.396 433 HA GLU 67 HA GLU 67 14.751 33.045 -31.283 434 HB2 GLU 67 HB2 GLU 67 13.381 31.934 -33.734 435 HB3 GLU 67 HB3 GLU 67 12.815 33.354 -32.870 436 HG2 GLU 67 HG2 GLU 67 15.043 34.402 -33.302 437 HG3 GLU 67 HG3 GLU 67 15.426 33.018 -34.322 438 H ALA 68 H ALA 68 14.239 32.077 -29.302 439 HA ALA 68 HA ALA 68 11.757 30.509 -29.273 440 HB1 ALA 68 HB1 ALA 68 13.822 30.806 -27.095 441 HB2 ALA 68 HB2 ALA 68 13.707 29.449 -28.216 442 HB3 ALA 68 HB3 ALA 68 12.411 29.750 -27.058 443 H LEU 69 H LEU 69 12.717 33.593 -28.969 444 HA LEU 69 HA LEU 69 10.899 34.255 -26.780 445 HB2 LEU 69 HB2 LEU 69 12.890 35.954 -28.284 446 HB3 LEU 69 HB3 LEU 69 11.761 36.607 -27.119 447 HG LEU 69 HG LEU 69 12.835 35.012 -25.430 448 HD11 LEU 69 HD11 LEU 69 14.961 34.944 -27.561 449 HD12 LEU 69 HD12 LEU 69 14.005 33.575 -26.991 450 HD13 LEU 69 HD13 LEU 69 15.144 34.370 -25.905 451 HD21 LEU 69 HD21 LEU 69 14.452 37.276 -26.590 452 HD22 LEU 69 HD22 LEU 69 14.654 36.585 -24.980 453 HD23 LEU 69 HD23 LEU 69 13.160 37.422 -25.399 454 H GLU 70 H GLU 70 8.924 33.908 -27.732 455 HA GLU 70 HA GLU 70 8.266 35.559 -30.060 456 HB2 GLU 70 HB2 GLU 70 6.763 33.285 -28.772 457 HB3 GLU 70 HB3 GLU 70 6.174 34.217 -30.141 458 HG2 GLU 70 HG2 GLU 70 8.162 33.488 -31.425 459 HG3 GLU 70 HG3 GLU 70 8.611 32.458 -30.065 460 H GLU 71 H GLU 71 8.308 35.864 -26.852 461 HA GLU 71 HA GLU 71 5.725 36.983 -26.343 462 HB2 GLU 71 HB2 GLU 71 6.742 37.746 -24.208 463 HB3 GLU 71 HB3 GLU 71 6.957 36.028 -24.509 464 HG2 GLU 71 HG2 GLU 71 9.245 36.392 -25.182 465 HG3 GLU 71 HG3 GLU 71 9.043 38.136 -25.023 466 H THR 72 H THR 72 7.843 38.093 -28.396 467 HA THR 72 HA THR 72 7.884 40.866 -27.539 468 HB THR 72 HB THR 72 9.947 40.148 -28.482 469 HG1 THR 72 HG1 THR 72 9.826 42.113 -29.262 470 HG21 THR 72 HG21 THR 72 8.380 39.246 -30.902 471 HG22 THR 72 HG22 THR 72 9.188 38.199 -29.734 472 HG23 THR 72 HG23 THR 72 10.139 39.257 -30.777 473 H PHE 73 H PHE 73 6.917 42.506 -28.643 474 HA PHE 73 HA PHE 73 4.929 41.755 -30.669 475 HB2 PHE 73 HB2 PHE 73 4.503 43.580 -28.291 476 HB3 PHE 73 HB3 PHE 73 3.377 43.440 -29.635 477 HD1 PHE 73 HD1 PHE 73 4.661 41.886 -26.608 478 HD2 PHE 73 HD2 PHE 73 2.087 41.385 -29.959 479 HE1 PHE 73 HE1 PHE 73 3.558 40.004 -25.473 480 HE2 PHE 73 HE2 PHE 73 0.979 39.501 -28.831 481 HZ PHE 73 HZ PHE 73 1.714 38.809 -26.584 482 HA PRO 74 HA PRO 74 6.606 45.236 -32.870 483 HB2 PRO 74 HB2 PRO 74 4.104 45.618 -34.298 484 HB3 PRO 74 HB3 PRO 74 5.611 44.917 -34.891 485 HG2 PRO 74 HG2 PRO 74 3.330 43.468 -34.514 486 HG3 PRO 74 HG3 PRO 74 4.958 42.775 -34.402 487 HD2 PRO 74 HD2 PRO 74 3.108 43.644 -32.214 488 HD3 PRO 74 HD3 PRO 74 4.150 42.209 -32.310 489 H ALA 75 H ALA 75 5.960 47.533 -33.563 490 HA ALA 75 HA ALA 75 5.031 48.940 -31.272 491 HB1 ALA 75 HB1 ALA 75 5.424 50.956 -32.601 492 HB2 ALA 75 HB2 ALA 75 5.643 49.965 -34.043 493 HB3 ALA 75 HB3 ALA 75 6.789 49.847 -32.709 494 H SER 76 H SER 76 3.626 47.902 -34.264 495 HA SER 76 HA SER 76 1.083 49.101 -33.423 496 HB2 SER 76 HB2 SER 76 2.029 50.220 -35.443 497 HB3 SER 76 HB3 SER 76 2.002 48.669 -36.279 498 HG SER 76 HG SER 76 0.031 49.119 -36.768 499 H ASP 77 H ASP 77 -0.381 47.606 -32.929 500 HA ASP 77 HA ASP 77 0.053 44.867 -33.747 501 HB2 ASP 77 HB2 ASP 77 -1.649 44.244 -32.165 502 HB3 ASP 77 HB3 ASP 77 -0.614 45.436 -31.395 503 HA PRO 78 HA PRO 78 -2.669 44.941 -37.231 504 HB2 PRO 78 HB2 PRO 78 -3.349 42.148 -36.523 505 HB3 PRO 78 HB3 PRO 78 -2.615 42.782 -38.000 506 HG2 PRO 78 HG2 PRO 78 -1.174 41.392 -36.232 507 HG3 PRO 78 HG3 PRO 78 -0.483 42.774 -37.103 508 HD2 PRO 78 HD2 PRO 78 -1.497 42.620 -34.291 509 HD3 PRO 78 HD3 PRO 78 -0.054 43.435 -34.934 510 H ILE 79 H ILE 79 -4.645 45.789 -37.302 511 HA ILE 79 HA ILE 79 -6.506 45.337 -35.137 512 HB ILE 79 HB ILE 79 -6.906 47.023 -37.617 513 HG12 ILE 79 HG12 ILE 79 -5.916 47.876 -34.885 514 HG13 ILE 79 HG13 ILE 79 -4.913 47.740 -36.323 515 HG21 ILE 79 HG21 ILE 79 -8.294 47.035 -34.934 516 HG22 ILE 79 HG22 ILE 79 -8.970 46.446 -36.453 517 HG23 ILE 79 HG23 ILE 79 -8.604 48.161 -36.256 518 HD11 ILE 79 HD11 ILE 79 -6.200 49.501 -37.398 519 HD12 ILE 79 HD12 ILE 79 -5.539 50.049 -35.857 520 HD13 ILE 79 HD13 ILE 79 -7.242 49.614 -35.981 521 H SER 80 H SER 80 -7.735 43.601 -35.192 522 HA SER 80 HA SER 80 -8.406 42.273 -37.674 523 HB2 SER 80 HB2 SER 80 -7.777 41.062 -35.540 524 HB3 SER 80 HB3 SER 80 -9.311 41.595 -34.860 525 HG SER 80 HG SER 80 -10.280 40.498 -36.759 526 HA PRO 81 HA PRO 81 -12.157 44.644 -38.318 527 HB2 PRO 81 HB2 PRO 81 -13.019 42.164 -39.728 528 HB3 PRO 81 HB3 PRO 81 -13.000 43.836 -40.303 529 HG2 PRO 81 HG2 PRO 81 -11.175 42.103 -41.151 530 HG3 PRO 81 HG3 PRO 81 -10.733 43.782 -40.793 531 HD2 PRO 81 HD2 PRO 81 -10.253 41.310 -39.182 532 HD3 PRO 81 HD3 PRO 81 -9.204 42.722 -39.430 Start of MODEL 8 1 HA ASN 1 HA ASN 1 16.840 -11.264 -11.659 2 HB2 ASN 1 HB2 ASN 1 16.886 -13.614 -10.728 3 HB3 ASN 1 HB3 ASN 1 17.403 -12.935 -9.193 4 HD21 ASN 1 HD21 ASN 1 15.006 -11.528 -11.396 5 HD22 ASN 1 HD22 ASN 1 13.669 -11.714 -10.321 6 H GLU 2 H GLU 2 19.592 -10.346 -10.157 7 HA GLU 2 HA GLU 2 18.644 -8.955 -7.871 8 HB2 GLU 2 HB2 GLU 2 20.822 -7.789 -7.937 9 HB3 GLU 2 HB3 GLU 2 20.995 -9.532 -8.074 10 HG2 GLU 2 HG2 GLU 2 21.307 -9.314 -10.490 11 HG3 GLU 2 HG3 GLU 2 21.125 -7.566 -10.355 12 H LEU 3 H LEU 3 18.003 -6.821 -7.601 13 HA LEU 3 HA LEU 3 17.331 -5.472 -10.094 14 HB2 LEU 3 HB2 LEU 3 16.186 -5.389 -7.342 15 HB3 LEU 3 HB3 LEU 3 16.011 -3.981 -8.369 16 HG LEU 3 HG LEU 3 14.031 -5.456 -8.421 17 HD11 LEU 3 HD11 LEU 3 14.567 -4.032 -10.338 18 HD12 LEU 3 HD12 LEU 3 13.769 -5.526 -10.828 19 HD13 LEU 3 HD13 LEU 3 15.510 -5.345 -11.044 20 HD21 LEU 3 HD21 LEU 3 15.246 -7.580 -8.126 21 HD22 LEU 3 HD22 LEU 3 15.854 -7.423 -9.773 22 HD23 LEU 3 HD23 LEU 3 14.123 -7.613 -9.485 23 H ARG 4 H ARG 4 17.730 -3.326 -10.388 24 HA ARG 4 HA ARG 4 19.988 -2.311 -8.800 25 HB2 ARG 4 HB2 ARG 4 19.487 -2.055 -11.758 26 HB3 ARG 4 HB3 ARG 4 20.738 -1.179 -10.889 27 HG2 ARG 4 HG2 ARG 4 21.829 -3.237 -10.302 28 HG3 ARG 4 HG3 ARG 4 20.529 -4.172 -11.043 29 HD2 ARG 4 HD2 ARG 4 21.071 -3.227 -13.212 30 HD3 ARG 4 HD3 ARG 4 22.338 -2.243 -12.481 31 HE ARG 4 HE ARG 4 23.647 -4.154 -12.188 32 HH11 ARG 4 HH11 ARG 4 20.568 -4.929 -13.687 33 HH12 ARG 4 HH12 ARG 4 21.096 -6.465 -14.274 34 HH21 ARG 4 HH21 ARG 4 24.341 -6.201 -12.962 35 HH22 ARG 4 HH22 ARG 4 23.242 -7.197 -13.849 36 H CYS 5 H CYS 5 20.103 -0.081 -8.502 37 HA CYS 5 HA CYS 5 17.492 1.124 -8.393 38 HB2 CYS 5 HB2 CYS 5 18.940 1.302 -6.459 39 HB3 CYS 5 HB3 CYS 5 20.180 2.087 -7.421 40 H GLY 6 H GLY 6 16.814 2.866 -9.523 41 HA2 GLY 6 HA2 GLY 6 18.098 3.356 -12.028 42 HA3 GLY 6 HA3 GLY 6 16.617 4.098 -11.451 43 H CYS 7 H CYS 7 18.711 4.721 -9.013 44 HA CYS 7 HA CYS 7 19.291 7.343 -10.108 45 HB2 CYS 7 HB2 CYS 7 18.408 7.317 -7.846 46 HB3 CYS 7 HB3 CYS 7 19.706 6.260 -7.314 47 HA PRO 8 HA PRO 8 23.294 5.808 -11.349 48 HB2 PRO 8 HB2 PRO 8 24.121 8.230 -12.357 49 HB3 PRO 8 HB3 PRO 8 23.142 7.062 -13.249 50 HG2 PRO 8 HG2 PRO 8 22.290 9.520 -11.779 51 HG3 PRO 8 HG3 PRO 8 21.717 8.888 -13.334 52 HD2 PRO 8 HD2 PRO 8 20.318 8.591 -11.063 53 HD3 PRO 8 HD3 PRO 8 20.317 7.347 -12.334 54 H ASP 9 H ASP 9 22.610 8.541 -9.288 55 HA ASP 9 HA ASP 9 25.404 8.746 -8.455 56 HB2 ASP 9 HB2 ASP 9 22.979 10.420 -7.782 57 HB3 ASP 9 HB3 ASP 9 24.571 10.683 -7.081 58 H CYS 10 H CYS 10 23.048 6.732 -7.723 59 HA CYS 10 HA CYS 10 23.472 6.799 -4.821 60 HB2 CYS 10 HB2 CYS 10 21.157 6.894 -5.404 61 HB3 CYS 10 HB3 CYS 10 21.333 5.535 -6.509 62 H HIS 11 H HIS 11 24.088 4.950 -3.706 63 HA HIS 11 HA HIS 11 25.031 2.709 -5.365 64 HB2 HIS 11 HB2 HIS 11 26.360 3.907 -2.926 65 HB3 HIS 11 HB3 HIS 11 26.817 2.355 -3.618 66 HD2 HIS 11 HD2 HIS 11 26.480 5.986 -5.160 67 HE1 HIS 11 HE1 HIS 11 29.997 4.138 -6.619 68 HE2 HIS 11 HE2 HIS 11 28.702 6.283 -6.442 69 H CYS 12 H CYS 12 23.178 1.497 -5.044 70 HA CYS 12 HA CYS 12 23.060 0.171 -2.466 71 HB2 CYS 12 HB2 CYS 12 20.839 1.847 -3.548 72 HB3 CYS 12 HB3 CYS 12 20.434 0.370 -2.685 73 H LYS 13 H LYS 13 22.138 -1.863 -2.494 74 HA LYS 13 HA LYS 13 21.776 -3.059 -5.123 75 HB2 LYS 13 HB2 LYS 13 22.208 -4.301 -2.395 76 HB3 LYS 13 HB3 LYS 13 21.982 -5.209 -3.882 77 HG2 LYS 13 HG2 LYS 13 24.041 -4.193 -4.778 78 HG3 LYS 13 HG3 LYS 13 24.274 -3.369 -3.235 79 HD2 LYS 13 HD2 LYS 13 24.428 -5.487 -2.082 80 HD3 LYS 13 HD3 LYS 13 24.072 -6.359 -3.572 81 HE2 LYS 13 HE2 LYS 13 26.142 -5.414 -4.555 82 HE3 LYS 13 HE3 LYS 13 26.504 -4.674 -2.996 83 HZ1 LYS 13 HZ1 LYS 13 26.188 -7.585 -3.474 84 HZ2 LYS 13 HZ2 LYS 13 26.611 -6.855 -2.003 85 HZ3 LYS 13 HZ3 LYS 13 27.665 -6.779 -3.324 86 H VAL 14 H VAL 14 19.805 -3.477 -5.741 87 HA VAL 14 HA VAL 14 17.651 -3.142 -3.799 88 HB VAL 14 HB VAL 14 17.315 -3.262 -6.791 89 HG11 VAL 14 HG11 VAL 14 15.293 -3.513 -5.498 90 HG12 VAL 14 HG12 VAL 14 15.316 -1.938 -6.301 91 HG13 VAL 14 HG13 VAL 14 15.678 -2.057 -4.580 92 HG21 VAL 14 HG21 VAL 14 17.378 -0.789 -6.784 93 HG22 VAL 14 HG22 VAL 14 18.928 -1.507 -6.344 94 HG23 VAL 14 HG23 VAL 14 17.885 -0.835 -5.094 95 H ASP 15 H ASP 15 16.492 -4.745 -3.116 96 HA ASP 15 HA ASP 15 16.932 -7.443 -4.026 97 HB2 ASP 15 HB2 ASP 15 15.220 -6.244 -1.855 98 HB3 ASP 15 HB3 ASP 15 15.285 -7.969 -2.185 99 HA PRO 16 HA PRO 16 13.609 -7.694 -7.022 100 HB2 PRO 16 HB2 PRO 16 13.368 -10.389 -5.743 101 HB3 PRO 16 HB3 PRO 16 13.380 -9.957 -7.456 102 HG2 PRO 16 HG2 PRO 16 15.552 -10.975 -6.285 103 HG3 PRO 16 HG3 PRO 16 15.680 -9.715 -7.523 104 HD2 PRO 16 HD2 PRO 16 16.114 -9.539 -4.597 105 HD3 PRO 16 HD3 PRO 16 16.797 -8.551 -5.904 106 H GLU 17 H GLU 17 13.063 -8.865 -3.674 107 HA GLU 17 HA GLU 17 10.201 -8.657 -3.955 108 HB2 GLU 17 HB2 GLU 17 11.978 -9.284 -1.619 109 HB3 GLU 17 HB3 GLU 17 10.260 -8.998 -1.401 110 HG2 GLU 17 HG2 GLU 17 9.867 -10.834 -3.085 111 HG3 GLU 17 HG3 GLU 17 11.588 -11.196 -2.956 112 H ARG 18 H ARG 18 12.687 -6.449 -2.983 113 HA ARG 18 HA ARG 18 10.594 -4.667 -1.924 114 HB2 ARG 18 HB2 ARG 18 13.427 -4.959 -0.919 115 HB3 ARG 18 HB3 ARG 18 12.308 -3.710 -0.394 116 HG2 ARG 18 HG2 ARG 18 10.776 -5.491 0.411 117 HG3 ARG 18 HG3 ARG 18 12.008 -6.684 -0.004 118 HD2 ARG 18 HD2 ARG 18 12.124 -6.156 2.358 119 HD3 ARG 18 HD3 ARG 18 13.570 -5.574 1.537 120 HE ARG 18 HE ARG 18 11.366 -3.698 1.983 121 HH11 ARG 18 HH11 ARG 18 14.619 -4.755 2.781 122 HH12 ARG 18 HH12 ARG 18 15.008 -3.316 3.653 123 HH21 ARG 18 HH21 ARG 18 11.886 -1.792 3.119 124 HH22 ARG 18 HH22 ARG 18 13.446 -1.621 3.845 125 H VAL 19 H VAL 19 11.478 -4.786 -4.612 126 HA VAL 19 HA VAL 19 13.147 -2.442 -4.971 127 HB VAL 19 HB VAL 19 13.666 -4.188 -6.528 128 HG11 VAL 19 HG11 VAL 19 10.740 -4.236 -7.243 129 HG12 VAL 19 HG12 VAL 19 11.624 -5.487 -6.364 130 HG13 VAL 19 HG13 VAL 19 12.008 -5.154 -8.053 131 HG21 VAL 19 HG21 VAL 19 11.992 -2.132 -7.947 132 HG22 VAL 19 HG22 VAL 19 13.213 -3.171 -8.684 133 HG23 VAL 19 HG23 VAL 19 13.687 -1.964 -7.488 134 H PHE 20 H PHE 20 12.362 -0.459 -5.099 135 HA PHE 20 HA PHE 20 9.546 0.016 -5.385 136 HB2 PHE 20 HB2 PHE 20 11.953 1.687 -4.878 137 HB3 PHE 20 HB3 PHE 20 10.503 2.473 -5.499 138 HD1 PHE 20 HD1 PHE 20 11.918 0.573 -2.684 139 HD2 PHE 20 HD2 PHE 20 8.580 2.753 -4.158 140 HE1 PHE 20 HE1 PHE 20 10.973 0.656 -0.414 141 HE2 PHE 20 HE2 PHE 20 7.628 2.845 -1.900 142 HZ PHE 20 HZ PHE 20 8.823 1.794 -0.019 143 H ASN 21 H ASN 21 8.664 -0.206 -7.323 144 HA ASN 21 HA ASN 21 10.202 0.368 -9.712 145 HB2 ASN 21 HB2 ASN 21 7.375 -0.647 -9.403 146 HB3 ASN 21 HB3 ASN 21 8.213 -0.451 -10.930 147 HD21 ASN 21 HD21 ASN 21 10.765 -1.359 -10.007 148 HD22 ASN 21 HD22 ASN 21 10.636 -3.066 -9.766 149 H HIS 22 H HIS 22 10.015 2.084 -10.955 150 HA HIS 22 HA HIS 22 7.719 3.860 -10.653 151 HB2 HIS 22 HB2 HIS 22 9.312 4.862 -9.142 152 HB3 HIS 22 HB3 HIS 22 10.607 4.677 -10.305 153 HD2 HIS 22 HD2 HIS 22 7.495 7.024 -9.749 154 HE1 HIS 22 HE1 HIS 22 10.106 8.812 -12.573 155 HE2 HIS 22 HE2 HIS 22 8.180 9.181 -11.009 156 H ASP 23 H ASP 23 6.925 4.160 -12.611 157 HA ASP 23 HA ASP 23 6.695 4.441 -14.850 158 HB2 ASP 23 HB2 ASP 23 8.218 6.423 -14.181 159 HB3 ASP 23 HB3 ASP 23 9.517 5.508 -14.936 160 H GLY 24 H GLY 24 7.998 1.959 -13.794 161 HA2 GLY 24 HA2 GLY 24 8.427 -0.028 -14.992 162 HA3 GLY 24 HA3 GLY 24 8.881 0.941 -16.389 163 H GLU 25 H GLU 25 10.209 1.962 -13.449 164 HA GLU 25 HA GLU 25 12.771 0.698 -14.133 165 HB2 GLU 25 HB2 GLU 25 12.061 3.423 -13.203 166 HB3 GLU 25 HB3 GLU 25 13.583 2.740 -12.649 167 HG2 GLU 25 HG2 GLU 25 14.364 2.497 -14.865 168 HG3 GLU 25 HG3 GLU 25 12.783 2.915 -15.536 169 H ALA 26 H ALA 26 14.243 0.498 -12.285 170 HA ALA 26 HA ALA 26 12.775 -0.384 -9.910 171 HB1 ALA 26 HB1 ALA 26 14.659 -1.910 -9.539 172 HB2 ALA 26 HB2 ALA 26 15.422 -1.317 -11.013 173 HB3 ALA 26 HB3 ALA 26 13.891 -2.189 -11.101 174 H TYR 27 H TYR 27 13.345 0.453 -7.982 175 HA TYR 27 HA TYR 27 15.769 2.084 -7.825 176 HB2 TYR 27 HB2 TYR 27 12.976 2.949 -7.079 177 HB3 TYR 27 HB3 TYR 27 14.415 3.770 -6.478 178 HD1 TYR 27 HD1 TYR 27 12.149 3.314 -9.283 179 HD2 TYR 27 HD2 TYR 27 15.898 4.951 -8.102 180 HE1 TYR 27 HE1 TYR 27 12.194 4.694 -11.323 181 HE2 TYR 27 HE2 TYR 27 15.937 6.337 -10.131 182 HH TYR 27 HH TYR 27 14.683 5.962 -12.636 183 H CYS 28 H CYS 28 16.546 2.391 -5.638 184 HA CYS 28 HA CYS 28 16.254 0.008 -4.081 185 HB2 CYS 28 HB2 CYS 28 17.899 0.939 -2.628 186 HB3 CYS 28 HB3 CYS 28 18.351 1.430 -4.257 187 H SER 29 H SER 29 14.905 3.160 -4.082 188 HA SER 29 HA SER 29 12.942 2.468 -2.162 189 HB2 SER 29 HB2 SER 29 14.583 3.025 -0.528 190 HB3 SER 29 HB3 SER 29 15.162 4.403 -1.448 191 HG SER 29 HG SER 29 12.957 4.157 0.217 192 H GLN 30 H GLN 30 11.348 4.148 -2.045 193 HA GLN 30 HA GLN 30 10.884 5.330 -4.521 194 HB2 GLN 30 HB2 GLN 30 9.152 4.729 -2.876 195 HB3 GLN 30 HB3 GLN 30 9.657 6.111 -1.907 196 HG2 GLN 30 HG2 GLN 30 9.144 7.582 -3.789 197 HG3 GLN 30 HG3 GLN 30 8.550 6.179 -4.681 198 HE21 GLN 30 HE21 GLN 30 7.220 8.628 -3.737 199 HE22 GLN 30 HE22 GLN 30 5.885 8.054 -2.807 200 H ALA 31 H ALA 31 12.669 6.422 -1.787 201 HA ALA 31 HA ALA 31 12.651 9.179 -2.064 202 HB1 ALA 31 HB1 ALA 31 14.898 9.138 -1.070 203 HB2 ALA 31 HB2 ALA 31 15.021 7.416 -1.424 204 HB3 ALA 31 HB3 ALA 31 13.834 7.989 -0.256 205 H CYS 32 H CYS 32 14.517 6.750 -3.837 206 HA CYS 32 HA CYS 32 15.627 8.723 -5.622 207 HB2 CYS 32 HB2 CYS 32 15.872 5.745 -5.389 208 HB3 CYS 32 HB3 CYS 32 16.514 6.630 -6.768 209 H ALA 33 H ALA 33 12.960 6.482 -5.524 210 HA ALA 33 HA ALA 33 12.489 6.197 -8.235 211 HB1 ALA 33 HB1 ALA 33 10.408 6.329 -6.062 212 HB2 ALA 33 HB2 ALA 33 11.356 4.898 -6.475 213 HB3 ALA 33 HB3 ALA 33 10.230 5.580 -7.645 214 H GLU 34 H GLU 34 11.361 8.689 -5.947 215 HA GLU 34 HA GLU 34 10.032 10.180 -8.022 216 HB2 GLU 34 HB2 GLU 34 10.646 10.918 -5.167 217 HB3 GLU 34 HB3 GLU 34 9.659 11.870 -6.266 218 HG2 GLU 34 HG2 GLU 34 8.346 9.605 -6.465 219 HG3 GLU 34 HG3 GLU 34 9.080 9.324 -4.898 220 H GLN 35 H GLN 35 13.141 9.666 -7.548 221 HA GLN 35 HA GLN 35 15.074 10.690 -8.118 222 HB2 GLN 35 HB2 GLN 35 13.263 12.537 -9.672 223 HB3 GLN 35 HB3 GLN 35 14.954 12.170 -10.012 224 HG2 GLN 35 HG2 GLN 35 14.446 9.945 -10.633 225 HG3 GLN 35 HG3 GLN 35 12.815 10.067 -9.992 226 HE21 GLN 35 HE21 GLN 35 13.716 9.319 -12.637 227 HE22 GLN 35 HE22 GLN 35 12.964 10.417 -13.734 228 H HIS 36 H HIS 36 14.197 11.381 -5.676 229 HA HIS 36 HA HIS 36 14.369 12.880 -3.984 230 HB2 HIS 36 HB2 HIS 36 16.463 14.172 -5.731 231 HB3 HIS 36 HB3 HIS 36 16.346 14.270 -3.976 232 HD1 HIS 36 HD1 HIS 36 16.804 11.928 -2.691 233 HD2 HIS 36 HD2 HIS 36 17.891 12.100 -6.690 234 HE1 HIS 36 HE1 HIS 36 18.365 10.004 -3.044 235 HA PRO 37 HA PRO 37 11.759 16.022 -6.105 236 HB2 PRO 37 HB2 PRO 37 9.599 15.734 -4.517 237 HB3 PRO 37 HB3 PRO 37 9.919 14.653 -5.878 238 HG2 PRO 37 HG2 PRO 37 10.419 14.226 -2.961 239 HG3 PRO 37 HG3 PRO 37 9.785 13.091 -4.166 240 HD2 PRO 37 HD2 PRO 37 12.382 13.098 -3.311 241 HD3 PRO 37 HD3 PRO 37 11.880 12.528 -4.914 242 H ASN 38 H ASN 38 12.443 15.479 -2.718 243 HA ASN 38 HA ASN 38 12.195 18.377 -2.213 244 HB2 ASN 38 HB2 ASN 38 11.945 16.085 -0.248 245 HB3 ASN 38 HB3 ASN 38 11.834 17.790 0.161 246 HD21 ASN 38 HD21 ASN 38 10.331 18.424 -2.284 247 HD22 ASN 38 HD22 ASN 38 8.732 17.833 -2.012 248 H GLY 39 H GLY 39 14.464 16.624 -3.207 249 HA2 GLY 39 HA2 GLY 39 16.753 16.592 -2.949 250 HA3 GLY 39 HA3 GLY 39 16.564 17.797 -1.682 251 H GLU 40 H GLU 40 14.703 15.007 -1.276 252 HA GLU 40 HA GLU 40 16.156 14.265 1.081 253 HB2 GLU 40 HB2 GLU 40 13.732 14.236 1.123 254 HB3 GLU 40 HB3 GLU 40 13.689 13.104 -0.220 255 HG2 GLU 40 HG2 GLU 40 13.227 11.940 1.831 256 HG3 GLU 40 HG3 GLU 40 14.787 11.418 1.201 257 HA PRO 41 HA PRO 41 18.640 11.271 -1.203 258 HB2 PRO 41 HB2 PRO 41 20.035 10.435 0.995 259 HB3 PRO 41 HB3 PRO 41 20.433 11.905 0.097 260 HG2 PRO 41 HG2 PRO 41 18.890 11.592 2.637 261 HG3 PRO 41 HG3 PRO 41 20.103 12.811 2.205 262 HD2 PRO 41 HD2 PRO 41 17.454 13.316 2.138 263 HD3 PRO 41 HD3 PRO 41 18.591 14.072 1.003 264 H CYS 42 H CYS 42 19.094 8.875 -0.823 265 HA CYS 42 HA CYS 42 16.610 7.603 -0.232 266 HB2 CYS 42 HB2 CYS 42 17.662 5.573 -0.968 267 HB3 CYS 42 HB3 CYS 42 18.231 6.862 -2.017 268 HA PRO 43 HA PRO 43 17.010 6.535 4.023 269 HB2 PRO 43 HB2 PRO 43 16.096 3.975 4.103 270 HB3 PRO 43 HB3 PRO 43 15.048 5.372 3.786 271 HG2 PRO 43 HG2 PRO 43 16.350 3.504 1.843 272 HG3 PRO 43 HG3 PRO 43 14.652 4.020 1.928 273 HD2 PRO 43 HD2 PRO 43 16.321 5.163 0.227 274 HD3 PRO 43 HD3 PRO 43 15.126 6.135 1.104 275 H ALA 44 H ALA 44 19.482 5.945 2.380 276 HA ALA 44 HA ALA 44 20.638 3.828 4.081 277 HB1 ALA 44 HB1 ALA 44 22.442 3.727 2.361 278 HB2 ALA 44 HB2 ALA 44 21.519 4.877 1.389 279 HB3 ALA 44 HB3 ALA 44 20.854 3.285 1.739 280 HA PRO 45 HA PRO 45 22.573 7.262 6.061 281 HB2 PRO 45 HB2 PRO 45 24.091 5.931 7.838 282 HB3 PRO 45 HB3 PRO 45 22.331 6.019 7.978 283 HG2 PRO 45 HG2 PRO 45 24.039 3.801 6.921 284 HG3 PRO 45 HG3 PRO 45 22.609 3.709 7.963 285 HD2 PRO 45 HD2 PRO 45 22.557 3.253 5.260 286 HD3 PRO 45 HD3 PRO 45 21.163 3.834 6.189 287 H ASP 46 H ASP 46 24.539 4.692 4.663 288 HA ASP 46 HA ASP 46 26.921 6.371 4.845 289 HB2 ASP 46 HB2 ASP 46 27.058 3.913 5.277 290 HB3 ASP 46 HB3 ASP 46 26.627 3.627 3.596 291 H CYS 47 H CYS 47 24.418 5.709 2.680 292 HA CYS 47 HA CYS 47 25.899 6.625 0.354 293 HB2 CYS 47 HB2 CYS 47 24.246 4.768 0.165 294 HB3 CYS 47 HB3 CYS 47 22.985 5.903 0.644 295 H HIS 48 H HIS 48 25.599 8.658 -0.559 296 HA HIS 48 HA HIS 48 23.623 10.396 0.696 297 HB2 HIS 48 HB2 HIS 48 26.571 11.043 0.526 298 HB3 HIS 48 HB3 HIS 48 25.330 12.255 0.821 299 HD1 HIS 48 HD1 HIS 48 24.511 12.504 3.189 300 HD2 HIS 48 HD2 HIS 48 26.811 9.090 2.648 301 HE1 HIS 48 HE1 HIS 48 24.858 11.542 5.485 302 HE2 HIS 48 HE2 HIS 48 25.993 9.350 5.081 303 H CYS 49 H CYS 49 22.559 10.026 -1.282 304 HA CYS 49 HA CYS 49 23.630 11.627 -3.499 305 HB2 CYS 49 HB2 CYS 49 22.088 10.271 -4.931 306 HB3 CYS 49 HB3 CYS 49 23.390 9.344 -4.191 307 H GLU 50 H GLU 50 22.563 13.432 -3.932 308 HA GLU 50 HA GLU 50 19.699 13.612 -3.470 309 HB2 GLU 50 HB2 GLU 50 20.076 15.784 -2.191 310 HB3 GLU 50 HB3 GLU 50 20.409 14.288 -1.328 311 HG2 GLU 50 HG2 GLU 50 22.836 14.612 -1.981 312 HG3 GLU 50 HG3 GLU 50 22.383 16.238 -2.486 313 H ARG 51 H ARG 51 21.970 13.859 -5.549 314 HA ARG 51 HA ARG 51 21.258 16.493 -6.647 315 HB2 ARG 51 HB2 ARG 51 23.364 16.405 -7.837 316 HB3 ARG 51 HB3 ARG 51 23.621 16.164 -6.113 317 HG2 ARG 51 HG2 ARG 51 23.692 13.709 -6.533 318 HG3 ARG 51 HG3 ARG 51 23.633 14.060 -8.260 319 HD2 ARG 51 HD2 ARG 51 25.743 14.937 -6.311 320 HD3 ARG 51 HD3 ARG 51 25.910 13.717 -7.574 321 HE ARG 51 HE ARG 51 25.121 16.012 -8.866 322 HH11 ARG 51 HH11 ARG 51 27.841 15.066 -6.857 323 HH12 ARG 51 HH12 ARG 51 28.931 16.180 -7.606 324 HH21 ARG 51 HH21 ARG 51 26.569 17.493 -9.833 325 HH22 ARG 51 HH22 ARG 51 28.214 17.559 -9.289 326 H SER 52 H SER 52 20.201 13.545 -6.979 327 HA SER 52 HA SER 52 20.354 13.425 -9.891 328 HB2 SER 52 HB2 SER 52 20.840 11.344 -8.667 329 HB3 SER 52 HB3 SER 52 19.244 11.402 -7.925 330 HG SER 52 HG SER 52 18.500 10.471 -9.628 331 H GLY 53 H GLY 53 18.861 14.508 -10.952 332 HA2 GLY 53 HA2 GLY 53 16.079 14.328 -10.040 333 HA3 GLY 53 HA3 GLY 53 16.770 15.917 -10.336 334 H LYS 54 H LYS 54 16.731 16.712 -12.364 335 HA LYS 54 HA LYS 54 15.522 14.987 -14.357 336 HB2 LYS 54 HB2 LYS 54 15.252 17.051 -15.745 337 HB3 LYS 54 HB3 LYS 54 14.422 17.111 -14.204 338 HG2 LYS 54 HG2 LYS 54 17.135 18.338 -14.444 339 HG3 LYS 54 HG3 LYS 54 15.740 19.181 -15.116 340 HD2 LYS 54 HD2 LYS 54 14.646 19.002 -12.875 341 HD3 LYS 54 HD3 LYS 54 16.149 18.328 -12.247 342 HE2 LYS 54 HE2 LYS 54 16.050 20.691 -11.761 343 HE3 LYS 54 HE3 LYS 54 17.325 20.379 -12.937 344 HZ1 LYS 54 HZ1 LYS 54 14.601 21.361 -13.598 345 HZ2 LYS 54 HZ2 LYS 54 15.866 21.136 -14.692 346 HZ3 LYS 54 HZ3 LYS 54 15.979 22.325 -13.501 347 H VAL 55 H VAL 55 17.220 13.645 -14.779 348 HA VAL 55 HA VAL 55 19.414 14.850 -16.323 349 HB VAL 55 HB VAL 55 20.248 13.809 -14.269 350 HG11 VAL 55 HG11 VAL 55 20.041 11.394 -13.881 351 HG12 VAL 55 HG12 VAL 55 18.965 11.273 -15.273 352 HG13 VAL 55 HG13 VAL 55 18.477 12.209 -13.862 353 HG21 VAL 55 HG21 VAL 55 20.924 12.191 -16.727 354 HG22 VAL 55 HG22 VAL 55 21.880 12.243 -15.245 355 HG23 VAL 55 HG23 VAL 55 21.687 13.699 -16.223 356 H GLY 56 H GLY 56 19.963 13.926 -18.293 357 HA2 GLY 56 HA2 GLY 56 19.849 12.297 -19.998 358 HA3 GLY 56 HA3 GLY 56 18.461 11.580 -19.191 359 H GLY 57 H GLY 57 18.540 14.987 -19.579 360 HA2 GLY 57 HA2 GLY 57 16.196 14.839 -21.275 361 HA3 GLY 57 HA3 GLY 57 16.863 16.288 -20.536 362 H ARG 58 H ARG 58 17.640 13.865 -23.018 363 HA ARG 58 HA ARG 58 19.321 15.692 -24.452 364 HB2 ARG 58 HB2 ARG 58 19.737 13.290 -24.602 365 HB3 ARG 58 HB3 ARG 58 18.138 13.031 -25.283 366 HG2 ARG 58 HG2 ARG 58 18.732 14.165 -27.300 367 HG3 ARG 58 HG3 ARG 58 20.262 14.697 -26.605 368 HD2 ARG 58 HD2 ARG 58 19.485 11.825 -27.115 369 HD3 ARG 58 HD3 ARG 58 20.540 12.794 -28.144 370 HE ARG 58 HE ARG 58 21.335 12.563 -25.365 371 HH11 ARG 58 HH11 ARG 58 21.665 11.287 -28.608 372 HH12 ARG 58 HH12 ARG 58 23.221 10.592 -28.317 373 HH21 ARG 58 HH21 ARG 58 23.360 11.642 -24.954 374 HH22 ARG 58 HH22 ARG 58 24.183 10.761 -26.198 375 H ASP 59 H ASP 59 16.122 14.284 -25.034 376 HA ASP 59 HA ASP 59 15.589 16.194 -27.130 377 HB2 ASP 59 HB2 ASP 59 13.930 14.038 -25.843 378 HB3 ASP 59 HB3 ASP 59 13.242 15.187 -26.976 379 H ILE 60 H ILE 60 14.368 17.973 -26.985 380 HA ILE 60 HA ILE 60 14.007 19.004 -24.317 381 HB ILE 60 HB ILE 60 13.411 20.393 -26.940 382 HG12 ILE 60 HG12 ILE 60 15.919 20.500 -25.244 383 HG13 ILE 60 HG13 ILE 60 15.775 19.665 -26.786 384 HG21 ILE 60 HG21 ILE 60 13.614 22.450 -25.601 385 HG22 ILE 60 HG22 ILE 60 13.856 21.476 -24.151 386 HG23 ILE 60 HG23 ILE 60 12.317 21.412 -25.008 387 HD11 ILE 60 HD11 ILE 60 15.332 21.806 -27.887 388 HD12 ILE 60 HD12 ILE 60 16.886 21.795 -27.055 389 HD13 ILE 60 HD13 ILE 60 15.508 22.628 -26.337 390 H THR 61 H THR 61 12.342 17.509 -23.730 391 HA THR 61 HA THR 61 9.780 17.651 -24.987 392 HB THR 61 HB THR 61 10.374 16.729 -22.167 393 HG1 THR 61 HG1 THR 61 10.896 15.538 -24.661 394 HG21 THR 61 HG21 THR 61 8.222 15.961 -24.154 395 HG22 THR 61 HG22 THR 61 7.996 16.962 -22.721 396 HG23 THR 61 HG23 THR 61 8.429 15.260 -22.549 397 H ASN 62 H ASN 62 11.211 18.928 -22.006 398 HA ASN 62 HA ASN 62 10.728 20.681 -20.649 399 HB2 ASN 62 HB2 ASN 62 11.146 21.816 -22.909 400 HB3 ASN 62 HB3 ASN 62 9.400 21.954 -23.048 401 HD21 ASN 62 HD21 ASN 62 11.321 22.283 -20.107 402 HD22 ASN 62 HD22 ASN 62 10.942 23.944 -19.834 403 H ASN 63 H ASN 63 8.773 18.529 -20.894 404 HA ASN 63 HA ASN 63 6.741 17.926 -20.162 405 HB2 ASN 63 HB2 ASN 63 6.881 20.667 -18.938 406 HB3 ASN 63 HB3 ASN 63 5.419 19.699 -18.795 407 HD21 ASN 63 HD21 ASN 63 6.753 17.162 -18.613 408 HD22 ASN 63 HD22 ASN 63 7.525 17.101 -17.072 409 H GLN 64 H GLN 64 5.132 17.499 -21.448 410 HA GLN 64 HA GLN 64 4.276 19.468 -23.391 411 HB2 GLN 64 HB2 GLN 64 3.462 16.595 -22.952 412 HB3 GLN 64 HB3 GLN 64 2.813 17.616 -24.229 413 HG2 GLN 64 HG2 GLN 64 5.083 17.897 -25.132 414 HG3 GLN 64 HG3 GLN 64 5.694 16.818 -23.879 415 HE21 GLN 64 HE21 GLN 64 3.853 17.057 -26.805 416 HE22 GLN 64 HE22 GLN 64 3.813 15.365 -27.154 417 H LEU 65 H LEU 65 3.580 18.934 -20.298 418 HA LEU 65 HA LEU 65 0.732 19.553 -20.448 419 HB2 LEU 65 HB2 LEU 65 2.559 19.010 -18.097 420 HB3 LEU 65 HB3 LEU 65 0.878 19.465 -17.941 421 HG LEU 65 HG LEU 65 1.059 17.113 -17.581 422 HD11 LEU 65 HD11 LEU 65 -0.416 16.216 -19.291 423 HD12 LEU 65 HD12 LEU 65 -0.068 17.601 -20.324 424 HD13 LEU 65 HD13 LEU 65 -0.911 17.835 -18.793 425 HD21 LEU 65 HD21 LEU 65 2.436 16.927 -20.256 426 HD22 LEU 65 HD22 LEU 65 1.945 15.561 -19.254 427 HD23 LEU 65 HD23 LEU 65 3.179 16.680 -18.676 428 H ASP 66 H ASP 66 0.292 21.611 -20.776 429 HA ASP 66 HA ASP 66 0.306 23.875 -20.715 430 HB2 ASP 66 HB2 ASP 66 1.655 23.420 -18.045 431 HB3 ASP 66 HB3 ASP 66 1.141 24.997 -18.625 432 H GLU 67 H GLU 67 1.695 23.822 -22.540 433 HA GLU 67 HA GLU 67 4.504 23.961 -22.303 434 HB2 GLU 67 HB2 GLU 67 2.793 24.970 -24.583 435 HB3 GLU 67 HB3 GLU 67 4.500 24.561 -24.654 436 HG2 GLU 67 HG2 GLU 67 3.708 22.629 -25.493 437 HG3 GLU 67 HG3 GLU 67 3.530 22.219 -23.792 438 H ALA 68 H ALA 68 5.847 25.632 -21.979 439 HA ALA 68 HA ALA 68 4.693 28.341 -21.877 440 HB1 ALA 68 HB1 ALA 68 4.934 27.454 -19.602 441 HB2 ALA 68 HB2 ALA 68 6.014 28.819 -19.883 442 HB3 ALA 68 HB3 ALA 68 6.650 27.174 -19.895 443 H LEU 69 H LEU 69 6.844 29.862 -21.359 444 HA LEU 69 HA LEU 69 8.658 30.886 -22.266 445 HB2 LEU 69 HB2 LEU 69 9.364 28.074 -23.119 446 HB3 LEU 69 HB3 LEU 69 10.427 29.450 -23.325 447 HG LEU 69 HG LEU 69 9.448 28.440 -20.653 448 HD11 LEU 69 HD11 LEU 69 12.100 28.031 -22.026 449 HD12 LEU 69 HD12 LEU 69 10.881 26.791 -21.726 450 HD13 LEU 69 HD13 LEU 69 11.711 27.559 -20.373 451 HD21 LEU 69 HD21 LEU 69 10.017 30.814 -20.655 452 HD22 LEU 69 HD22 LEU 69 11.579 30.448 -21.384 453 HD23 LEU 69 HD23 LEU 69 11.214 29.884 -19.754 454 H GLU 70 H GLU 70 6.261 30.870 -23.668 455 HA GLU 70 HA GLU 70 6.882 30.406 -26.461 456 HB2 GLU 70 HB2 GLU 70 4.670 29.827 -25.368 457 HB3 GLU 70 HB3 GLU 70 4.346 31.550 -25.297 458 HG2 GLU 70 HG2 GLU 70 4.379 31.701 -27.699 459 HG3 GLU 70 HG3 GLU 70 4.871 30.012 -27.832 460 H GLU 71 H GLU 71 8.592 32.217 -25.654 461 HA GLU 71 HA GLU 71 7.595 34.710 -26.859 462 HB2 GLU 71 HB2 GLU 71 8.169 34.975 -24.409 463 HB3 GLU 71 HB3 GLU 71 9.823 34.530 -24.798 464 HG2 GLU 71 HG2 GLU 71 10.005 36.484 -26.264 465 HG3 GLU 71 HG3 GLU 71 8.352 36.936 -25.872 466 H THR 72 H THR 72 8.304 32.955 -28.587 467 HA THR 72 HA THR 72 11.133 32.976 -29.117 468 HB THR 72 HB THR 72 10.433 31.765 -31.240 469 HG1 THR 72 HG1 THR 72 8.048 32.624 -30.521 470 HG21 THR 72 HG21 THR 72 11.221 30.565 -29.261 471 HG22 THR 72 HG22 THR 72 9.926 29.669 -30.054 472 HG23 THR 72 HG23 THR 72 9.592 30.587 -28.586 473 H PHE 73 H PHE 73 12.119 34.544 -30.083 474 HA PHE 73 HA PHE 73 12.642 36.310 -31.366 475 HB2 PHE 73 HB2 PHE 73 10.333 35.350 -33.069 476 HB3 PHE 73 HB3 PHE 73 11.455 36.620 -33.541 477 HD1 PHE 73 HD1 PHE 73 10.928 33.054 -33.203 478 HD2 PHE 73 HD2 PHE 73 13.827 36.074 -33.967 479 HE1 PHE 73 HE1 PHE 73 12.450 31.355 -34.119 480 HE2 PHE 73 HE2 PHE 73 15.356 34.380 -34.886 481 HZ PHE 73 HZ PHE 73 14.668 32.017 -34.963 482 HA PRO 74 HA PRO 74 9.439 38.957 -29.334 483 HB2 PRO 74 HB2 PRO 74 11.724 40.174 -27.998 484 HB3 PRO 74 HB3 PRO 74 10.324 39.379 -27.278 485 HG2 PRO 74 HG2 PRO 74 12.843 38.339 -27.213 486 HG3 PRO 74 HG3 PRO 74 11.379 37.347 -27.178 487 HD2 PRO 74 HD2 PRO 74 13.221 37.932 -29.448 488 HD3 PRO 74 HD3 PRO 74 12.383 36.424 -29.032 489 H ALA 75 H ALA 75 10.002 41.551 -28.940 490 HA ALA 75 HA ALA 75 10.291 42.596 -31.539 491 HB1 ALA 75 HB1 ALA 75 10.440 44.040 -28.892 492 HB2 ALA 75 HB2 ALA 75 8.972 43.719 -29.812 493 HB3 ALA 75 HB3 ALA 75 10.206 44.794 -30.468 494 H SER 76 H SER 76 12.441 42.714 -28.708 495 HA SER 76 HA SER 76 14.647 43.491 -30.447 496 HB2 SER 76 HB2 SER 76 15.913 43.655 -28.260 497 HB3 SER 76 HB3 SER 76 14.541 44.756 -28.398 498 HG SER 76 HG SER 76 14.276 42.208 -27.218 499 H ASP 77 H ASP 77 15.120 41.674 -31.581 500 HA ASP 77 HA ASP 77 15.379 39.141 -30.219 501 HB2 ASP 77 HB2 ASP 77 15.809 38.202 -32.451 502 HB3 ASP 77 HB3 ASP 77 14.346 39.177 -32.437 503 HA PRO 78 HA PRO 78 19.718 39.764 -29.276 504 HB2 PRO 78 HB2 PRO 78 19.527 36.810 -28.958 505 HB3 PRO 78 HB3 PRO 78 20.163 38.019 -27.836 506 HG2 PRO 78 HG2 PRO 78 17.799 36.869 -27.410 507 HG3 PRO 78 HG3 PRO 78 18.064 38.584 -27.047 508 HD2 PRO 78 HD2 PRO 78 16.625 37.331 -29.342 509 HD3 PRO 78 HD3 PRO 78 16.254 38.820 -28.448 510 H ILE 79 H ILE 79 21.134 39.962 -30.875 511 HA ILE 79 HA ILE 79 20.920 38.423 -33.275 512 HB ILE 79 HB ILE 79 23.096 40.343 -32.423 513 HG12 ILE 79 HG12 ILE 79 20.903 41.440 -32.511 514 HG13 ILE 79 HG13 ILE 79 21.929 41.992 -33.828 515 HG21 ILE 79 HG21 ILE 79 23.845 38.846 -34.173 516 HG22 ILE 79 HG22 ILE 79 23.619 40.471 -34.820 517 HG23 ILE 79 HG23 ILE 79 22.416 39.222 -35.133 518 HD11 ILE 79 HD11 ILE 79 19.694 39.983 -34.031 519 HD12 ILE 79 HD12 ILE 79 20.739 40.489 -35.360 520 HD13 ILE 79 HD13 ILE 79 19.662 41.654 -34.591 521 H SER 80 H SER 80 21.568 36.417 -33.370 522 HA SER 80 HA SER 80 23.743 35.484 -31.715 523 HB2 SER 80 HB2 SER 80 22.087 33.987 -33.757 524 HB3 SER 80 HB3 SER 80 23.143 33.271 -32.539 525 HG SER 80 HG SER 80 20.697 34.642 -32.188 526 HA PRO 81 HA PRO 81 26.637 36.463 -35.025 527 HB2 PRO 81 HB2 PRO 81 28.778 35.191 -33.859 528 HB3 PRO 81 HB3 PRO 81 28.255 36.827 -33.447 529 HG2 PRO 81 HG2 PRO 81 27.677 34.245 -32.048 530 HG3 PRO 81 HG3 PRO 81 28.106 35.819 -31.356 531 HD2 PRO 81 HD2 PRO 81 25.579 34.944 -31.374 532 HD3 PRO 81 HD3 PRO 81 25.957 36.661 -31.623 Start of MODEL 9 1 HA ASN 1 HA ASN 1 1.042 -2.488 -1.527 2 HB2 ASN 1 HB2 ASN 1 1.544 -0.005 0.130 3 HB3 ASN 1 HB3 ASN 1 1.825 -0.121 -1.603 4 HD21 ASN 1 HD21 ASN 1 0.078 -0.162 -3.001 5 HD22 ASN 1 HD22 ASN 1 -1.520 0.251 -2.482 6 H GLU 2 H GLU 2 2.822 -3.515 -2.130 7 HA GLU 2 HA GLU 2 5.095 -3.820 -0.471 8 HB2 GLU 2 HB2 GLU 2 4.286 -5.347 -2.378 9 HB3 GLU 2 HB3 GLU 2 5.060 -4.206 -3.466 10 HG2 GLU 2 HG2 GLU 2 7.207 -4.618 -2.369 11 HG3 GLU 2 HG3 GLU 2 6.426 -5.765 -1.283 12 H LEU 3 H LEU 3 7.028 -2.723 -0.465 13 HA LEU 3 HA LEU 3 6.884 -0.057 -1.514 14 HB2 LEU 3 HB2 LEU 3 8.664 -1.464 0.402 15 HB3 LEU 3 HB3 LEU 3 9.284 -0.032 -0.394 16 HG LEU 3 HG LEU 3 8.290 0.403 1.858 17 HD11 LEU 3 HD11 LEU 3 8.469 2.171 0.182 18 HD12 LEU 3 HD12 LEU 3 7.045 2.378 1.198 19 HD13 LEU 3 HD13 LEU 3 6.875 1.746 -0.438 20 HD21 LEU 3 HD21 LEU 3 5.650 -0.115 0.515 21 HD22 LEU 3 HD22 LEU 3 5.934 0.310 2.206 22 HD23 LEU 3 HD23 LEU 3 6.436 -1.266 1.588 23 H ARG 4 H ARG 4 8.458 0.943 -2.774 24 HA ARG 4 HA ARG 4 9.706 -0.923 -4.671 25 HB2 ARG 4 HB2 ARG 4 7.564 0.283 -5.385 26 HB3 ARG 4 HB3 ARG 4 8.522 1.752 -5.394 27 HG2 ARG 4 HG2 ARG 4 9.803 1.042 -7.200 28 HG3 ARG 4 HG3 ARG 4 9.326 -0.644 -6.991 29 HD2 ARG 4 HD2 ARG 4 7.048 -0.106 -7.655 30 HD3 ARG 4 HD3 ARG 4 7.480 1.597 -7.814 31 HE ARG 4 HE ARG 4 9.221 0.413 -9.481 32 HH11 ARG 4 HH11 ARG 4 5.747 0.110 -9.146 33 HH12 ARG 4 HH12 ARG 4 5.490 -0.261 -10.815 34 HH21 ARG 4 HH21 ARG 4 8.887 -0.076 -11.690 35 HH22 ARG 4 HH22 ARG 4 7.284 -0.364 -12.270 36 H CYS 5 H CYS 5 11.810 -0.507 -5.229 37 HA CYS 5 HA CYS 5 13.287 1.268 -3.569 38 HB2 CYS 5 HB2 CYS 5 14.264 -0.831 -4.344 39 HB3 CYS 5 HB3 CYS 5 14.192 -0.277 -6.008 40 H GLY 6 H GLY 6 14.404 3.133 -4.024 41 HA2 GLY 6 HA2 GLY 6 13.157 4.802 -6.004 42 HA3 GLY 6 HA3 GLY 6 14.354 5.294 -4.822 43 H CYS 7 H CYS 7 15.943 2.821 -6.041 44 HA CYS 7 HA CYS 7 17.340 4.500 -7.926 45 HB2 CYS 7 HB2 CYS 7 18.727 3.200 -6.446 46 HB3 CYS 7 HB3 CYS 7 17.929 1.709 -6.911 47 HA PRO 8 HA PRO 8 14.856 2.905 -11.301 48 HB2 PRO 8 HB2 PRO 8 16.148 4.356 -13.228 49 HB3 PRO 8 HB3 PRO 8 14.876 5.011 -12.195 50 HG2 PRO 8 HG2 PRO 8 17.842 5.270 -11.938 51 HG3 PRO 8 HG3 PRO 8 16.586 6.497 -11.691 52 HD2 PRO 8 HD2 PRO 8 17.788 5.230 -9.641 53 HD3 PRO 8 HD3 PRO 8 16.087 5.736 -9.568 54 H ASP 9 H ASP 9 18.311 2.824 -10.962 55 HA ASP 9 HA ASP 9 18.682 1.077 -13.252 56 HB2 ASP 9 HB2 ASP 9 20.610 2.103 -11.162 57 HB3 ASP 9 HB3 ASP 9 21.070 1.010 -12.458 58 H CYS 10 H CYS 10 17.777 0.790 -10.066 59 HA CYS 10 HA CYS 10 18.924 -1.880 -9.776 60 HB2 CYS 10 HB2 CYS 10 19.443 -0.478 -7.934 61 HB3 CYS 10 HB3 CYS 10 17.773 0.064 -7.804 62 H HIS 11 H HIS 11 17.637 -3.655 -9.666 63 HA HIS 11 HA HIS 11 14.733 -3.225 -9.526 64 HB2 HIS 11 HB2 HIS 11 16.263 -5.193 -11.218 65 HB3 HIS 11 HB3 HIS 11 14.557 -5.411 -10.844 66 HD2 HIS 11 HD2 HIS 11 16.677 -2.471 -12.439 67 HE1 HIS 11 HE1 HIS 11 12.909 -2.735 -14.365 68 HE2 HIS 11 HE2 HIS 11 15.208 -1.719 -14.434 69 H CYS 12 H CYS 12 14.583 -3.513 -7.359 70 HA CYS 12 HA CYS 12 15.028 -6.261 -6.402 71 HB2 CYS 12 HB2 CYS 12 16.022 -3.724 -5.258 72 HB3 CYS 12 HB3 CYS 12 15.310 -4.846 -4.107 73 H LYS 13 H LYS 13 13.812 -6.585 -4.253 74 HA LYS 13 HA LYS 13 11.171 -5.368 -4.526 75 HB2 LYS 13 HB2 LYS 13 10.265 -7.356 -3.420 76 HB3 LYS 13 HB3 LYS 13 11.158 -7.804 -4.864 77 HG2 LYS 13 HG2 LYS 13 13.043 -8.517 -3.505 78 HG3 LYS 13 HG3 LYS 13 12.204 -7.999 -2.043 79 HD2 LYS 13 HD2 LYS 13 12.010 -10.406 -2.338 80 HD3 LYS 13 HD3 LYS 13 10.430 -9.638 -2.503 81 HE2 LYS 13 HE2 LYS 13 10.595 -9.752 -4.922 82 HE3 LYS 13 HE3 LYS 13 12.219 -10.424 -4.804 83 HZ1 LYS 13 HZ1 LYS 13 10.569 -12.122 -5.229 84 HZ2 LYS 13 HZ2 LYS 13 9.739 -11.717 -3.817 85 HZ3 LYS 13 HZ3 LYS 13 11.300 -12.367 -3.725 86 H VAL 14 H VAL 14 10.753 -3.940 -3.062 87 HA VAL 14 HA VAL 14 12.280 -3.999 -0.576 88 HB VAL 14 HB VAL 14 10.559 -1.728 -1.566 89 HG11 VAL 14 HG11 VAL 14 11.114 -1.722 0.802 90 HG12 VAL 14 HG12 VAL 14 11.923 -0.406 -0.062 91 HG13 VAL 14 HG13 VAL 14 12.828 -1.849 0.401 92 HG21 VAL 14 HG21 VAL 14 13.507 -2.184 -2.011 93 HG22 VAL 14 HG22 VAL 14 12.640 -0.694 -2.385 94 HG23 VAL 14 HG23 VAL 14 12.252 -2.184 -3.249 95 H ASP 15 H ASP 15 11.358 -4.727 1.179 96 HA ASP 15 HA ASP 15 8.542 -5.363 1.196 97 HB2 ASP 15 HB2 ASP 15 10.472 -6.755 2.224 98 HB3 ASP 15 HB3 ASP 15 10.353 -5.584 3.523 99 HA PRO 16 HA PRO 16 7.132 -1.690 3.281 100 HB2 PRO 16 HB2 PRO 16 5.260 -3.654 4.520 101 HB3 PRO 16 HB3 PRO 16 4.900 -2.121 3.712 102 HG2 PRO 16 HG2 PRO 16 4.432 -4.406 2.458 103 HG3 PRO 16 HG3 PRO 16 5.154 -3.045 1.579 104 HD2 PRO 16 HD2 PRO 16 6.461 -5.504 2.670 105 HD3 PRO 16 HD3 PRO 16 6.768 -4.678 1.136 106 H GLU 17 H GLU 17 8.118 -4.637 4.953 107 HA GLU 17 HA GLU 17 8.155 -3.158 7.494 108 HB2 GLU 17 HB2 GLU 17 8.019 -6.010 6.798 109 HB3 GLU 17 HB3 GLU 17 9.119 -5.653 8.118 110 HG2 GLU 17 HG2 GLU 17 7.191 -6.041 9.281 111 HG3 GLU 17 HG3 GLU 17 7.067 -4.302 9.055 112 H ARG 18 H ARG 18 10.218 -3.760 4.928 113 HA ARG 18 HA ARG 18 12.568 -3.188 6.600 114 HB2 ARG 18 HB2 ARG 18 12.267 -5.439 4.648 115 HB3 ARG 18 HB3 ARG 18 13.846 -4.739 4.958 116 HG2 ARG 18 HG2 ARG 18 13.560 -5.261 7.355 117 HG3 ARG 18 HG3 ARG 18 12.029 -6.052 6.963 118 HD2 ARG 18 HD2 ARG 18 13.150 -7.645 5.567 119 HD3 ARG 18 HD3 ARG 18 14.682 -6.796 5.754 120 HE ARG 18 HE ARG 18 13.851 -7.488 8.296 121 HH11 ARG 18 HH11 ARG 18 14.627 -9.177 5.324 122 HH12 ARG 18 HH12 ARG 18 15.301 -10.553 6.124 123 HH21 ARG 18 HH21 ARG 18 14.736 -9.326 9.368 124 HH22 ARG 18 HH22 ARG 18 15.355 -10.643 8.439 125 H VAL 19 H VAL 19 11.170 -1.327 5.125 126 HA VAL 19 HA VAL 19 12.696 -0.947 2.677 127 HB VAL 19 HB VAL 19 10.370 -0.560 2.323 128 HG11 VAL 19 HG11 VAL 19 9.646 -0.314 4.616 129 HG12 VAL 19 HG12 VAL 19 9.067 1.048 3.654 130 HG13 VAL 19 HG13 VAL 19 10.452 1.251 4.724 131 HG21 VAL 19 HG21 VAL 19 11.655 2.137 2.670 132 HG22 VAL 19 HG22 VAL 19 10.251 1.758 1.670 133 HG23 VAL 19 HG23 VAL 19 11.830 1.085 1.265 134 H PHE 20 H PHE 20 14.556 0.158 2.736 135 HA PHE 20 HA PHE 20 15.250 1.883 4.912 136 HB2 PHE 20 HB2 PHE 20 16.565 1.169 2.302 137 HB3 PHE 20 HB3 PHE 20 17.245 2.357 3.406 138 HD1 PHE 20 HD1 PHE 20 16.114 -1.183 3.235 139 HD2 PHE 20 HD2 PHE 20 18.613 1.681 5.146 140 HE1 PHE 20 HE1 PHE 20 17.208 -2.989 4.499 141 HE2 PHE 20 HE2 PHE 20 19.712 -0.121 6.414 142 HZ PHE 20 HZ PHE 20 19.009 -2.458 6.090 143 H ASN 21 H ASN 21 14.197 3.760 5.078 144 HA ASN 21 HA ASN 21 13.336 5.155 2.691 145 HB2 ASN 21 HB2 ASN 21 12.980 5.865 5.605 146 HB3 ASN 21 HB3 ASN 21 12.317 6.773 4.262 147 HD21 ASN 21 HD21 ASN 21 11.611 4.519 2.665 148 HD22 ASN 21 HD22 ASN 21 10.260 3.759 3.428 149 H HIS 22 H HIS 22 14.008 7.077 2.009 150 HA HIS 22 HA HIS 22 16.025 8.544 3.490 151 HB2 HIS 22 HB2 HIS 22 17.344 7.042 2.072 152 HB3 HIS 22 HB3 HIS 22 16.455 7.571 0.658 153 HD2 HIS 22 HD2 HIS 22 19.052 9.086 3.189 154 HE1 HIS 22 HE1 HIS 22 19.191 11.279 -0.426 155 HE2 HIS 22 HE2 HIS 22 20.325 10.821 1.768 156 H ASP 23 H ASP 23 15.177 10.500 3.606 157 HA ASP 23 HA ASP 23 14.104 12.438 3.087 158 HB2 ASP 23 HB2 ASP 23 15.284 11.597 0.507 159 HB3 ASP 23 HB3 ASP 23 14.026 12.831 0.430 160 H GLY 24 H GLY 24 12.637 9.847 3.108 161 HA2 GLY 24 HA2 GLY 24 10.298 9.550 3.113 162 HA3 GLY 24 HA3 GLY 24 10.148 10.901 2.001 163 H GLU 25 H GLU 25 12.577 8.968 0.890 164 HA GLU 25 HA GLU 25 10.781 7.712 -1.043 165 HB2 GLU 25 HB2 GLU 25 13.535 8.735 -1.143 166 HB3 GLU 25 HB3 GLU 25 13.305 7.197 -1.966 167 HG2 GLU 25 HG2 GLU 25 11.573 8.151 -3.341 168 HG3 GLU 25 HG3 GLU 25 11.674 9.681 -2.469 169 H ALA 26 H ALA 26 11.201 5.538 -1.706 170 HA ALA 26 HA ALA 26 11.974 3.894 0.584 171 HB1 ALA 26 HB1 ALA 26 10.331 3.202 -1.845 172 HB2 ALA 26 HB2 ALA 26 9.698 3.625 -0.254 173 HB3 ALA 26 HB3 ALA 26 10.640 2.148 -0.464 174 H TYR 27 H TYR 27 13.648 2.533 0.461 175 HA TYR 27 HA TYR 27 14.788 1.933 -2.165 176 HB2 TYR 27 HB2 TYR 27 16.313 3.015 0.211 177 HB3 TYR 27 HB3 TYR 27 17.086 2.286 -1.195 178 HD1 TYR 27 HD1 TYR 27 15.515 5.249 0.184 179 HD2 TYR 27 HD2 TYR 27 16.923 3.445 -3.402 180 HE1 TYR 27 HE1 TYR 27 15.514 7.446 -0.924 181 HE2 TYR 27 HE2 TYR 27 16.935 5.640 -4.509 182 HH TYR 27 HH TYR 27 15.478 7.961 -4.005 183 H CYS 28 H CYS 28 16.151 0.011 -2.151 184 HA CYS 28 HA CYS 28 15.019 -1.990 -0.450 185 HB2 CYS 28 HB2 CYS 28 16.401 -3.564 -1.686 186 HB3 CYS 28 HB3 CYS 28 15.622 -2.450 -2.803 187 H SER 29 H SER 29 17.850 -0.028 -0.398 188 HA SER 29 HA SER 29 18.530 -0.954 2.204 189 HB2 SER 29 HB2 SER 29 19.549 -2.774 0.963 190 HB3 SER 29 HB3 SER 29 20.368 -1.641 -0.101 191 HG SER 29 HG SER 29 21.073 -2.513 2.389 192 H GLN 30 H GLN 30 20.265 0.201 3.132 193 HA GLN 30 HA GLN 30 20.477 2.889 2.897 194 HB2 GLN 30 HB2 GLN 30 22.058 0.767 4.081 195 HB3 GLN 30 HB3 GLN 30 23.099 2.061 3.521 196 HG2 GLN 30 HG2 GLN 30 20.718 2.614 5.254 197 HG3 GLN 30 HG3 GLN 30 22.263 2.113 5.937 198 HE21 GLN 30 HE21 GLN 30 22.551 4.048 7.002 199 HE22 GLN 30 HE22 GLN 30 22.936 5.522 6.183 200 H ALA 31 H ALA 31 22.244 0.468 1.043 201 HA ALA 31 HA ALA 31 24.227 1.933 -0.192 202 HB1 ALA 31 HB1 ALA 31 23.942 -0.531 -0.319 203 HB2 ALA 31 HB2 ALA 31 24.259 0.213 -1.886 204 HB3 ALA 31 HB3 ALA 31 22.622 -0.281 -1.459 205 H CYS 32 H CYS 32 20.969 1.291 -1.554 206 HA CYS 32 HA CYS 32 21.361 3.187 -3.657 207 HB2 CYS 32 HB2 CYS 32 19.022 1.533 -2.758 208 HB3 CYS 32 HB3 CYS 32 18.870 2.742 -4.025 209 H ALA 33 H ALA 33 20.079 3.258 -0.453 210 HA ALA 33 HA ALA 33 18.344 5.421 -0.642 211 HB1 ALA 33 HB1 ALA 33 18.726 5.721 1.769 212 HB2 ALA 33 HB2 ALA 33 20.119 4.645 1.681 213 HB3 ALA 33 HB3 ALA 33 18.503 4.020 1.357 214 H GLU 34 H GLU 34 21.851 5.326 -0.050 215 HA GLU 34 HA GLU 34 22.017 8.207 -0.106 216 HB2 GLU 34 HB2 GLU 34 24.214 6.150 -0.014 217 HB3 GLU 34 HB3 GLU 34 24.418 7.882 0.216 218 HG2 GLU 34 HG2 GLU 34 22.639 7.480 2.104 219 HG3 GLU 34 HG3 GLU 34 23.258 5.838 2.011 220 H GLN 35 H GLN 35 21.398 6.202 -2.486 221 HA GLN 35 HA GLN 35 21.604 6.220 -4.739 222 HB2 GLN 35 HB2 GLN 35 22.644 9.016 -4.302 223 HB3 GLN 35 HB3 GLN 35 21.884 8.385 -5.761 224 HG2 GLN 35 HG2 GLN 35 19.778 8.232 -4.731 225 HG3 GLN 35 HG3 GLN 35 20.465 8.406 -3.126 226 HE21 GLN 35 HE21 GLN 35 19.052 10.079 -2.662 227 HE22 GLN 35 HE22 GLN 35 19.276 11.671 -3.293 228 H HIS 36 H HIS 36 23.753 5.134 -3.287 229 HA HIS 36 HA HIS 36 25.842 4.294 -3.539 230 HB2 HIS 36 HB2 HIS 36 25.667 5.265 -6.386 231 HB3 HIS 36 HB3 HIS 36 26.734 4.007 -5.771 232 HD1 HIS 36 HD1 HIS 36 25.495 1.739 -5.017 233 HD2 HIS 36 HD2 HIS 36 23.214 4.473 -7.141 234 HE1 HIS 36 HE1 HIS 36 23.497 0.464 -5.832 235 HA PRO 37 HA PRO 37 27.690 8.474 -2.945 236 HB2 PRO 37 HB2 PRO 37 28.973 7.752 -0.630 237 HB3 PRO 37 HB3 PRO 37 27.345 8.423 -0.684 238 HG2 PRO 37 HG2 PRO 37 28.228 5.593 -0.380 239 HG3 PRO 37 HG3 PRO 37 26.858 6.428 0.372 240 HD2 PRO 37 HD2 PRO 37 26.603 4.725 -1.730 241 HD3 PRO 37 HD3 PRO 37 25.498 6.081 -1.446 242 H ASN 38 H ASN 38 29.222 5.350 -2.279 243 HA ASN 38 HA ASN 38 31.754 6.399 -3.349 244 HB2 ASN 38 HB2 ASN 38 31.472 3.857 -1.768 245 HB3 ASN 38 HB3 ASN 38 32.898 4.865 -1.983 246 HD21 ASN 38 HD21 ASN 38 32.770 7.029 -1.035 247 HD22 ASN 38 HD22 ASN 38 31.960 7.210 0.483 248 H GLY 39 H GLY 39 29.303 5.137 -4.659 249 HA2 GLY 39 HA2 GLY 39 29.065 3.928 -6.643 250 HA3 GLY 39 HA3 GLY 39 30.766 3.494 -6.534 251 H GLU 40 H GLU 40 29.306 2.910 -3.639 252 HA GLU 40 HA GLU 40 29.566 0.099 -3.739 253 HB2 GLU 40 HB2 GLU 40 29.631 1.737 -1.723 254 HB3 GLU 40 HB3 GLU 40 27.882 1.628 -1.750 255 HG2 GLU 40 HG2 GLU 40 28.368 0.047 -0.181 256 HG3 GLU 40 HG3 GLU 40 28.363 -0.954 -1.631 257 HA PRO 41 HA PRO 41 25.493 -0.515 -5.766 258 HB2 PRO 41 HB2 PRO 41 25.734 -3.214 -6.038 259 HB3 PRO 41 HB3 PRO 41 26.504 -2.071 -7.145 260 HG2 PRO 41 HG2 PRO 41 27.683 -3.520 -4.803 261 HG3 PRO 41 HG3 PRO 41 28.358 -3.288 -6.425 262 HD2 PRO 41 HD2 PRO 41 29.138 -1.783 -4.344 263 HD3 PRO 41 HD3 PRO 41 29.004 -1.111 -5.983 264 H CYS 42 H CYS 42 23.586 -1.990 -5.238 265 HA CYS 42 HA CYS 42 23.155 -1.949 -2.424 266 HB2 CYS 42 HB2 CYS 42 20.934 -2.728 -2.896 267 HB3 CYS 42 HB3 CYS 42 21.360 -1.593 -4.169 268 HA PRO 43 HA PRO 43 24.536 -5.893 -1.105 269 HB2 PRO 43 HB2 PRO 43 22.628 -6.684 0.645 270 HB3 PRO 43 HB3 PRO 43 23.727 -5.325 0.954 271 HG2 PRO 43 HG2 PRO 43 20.932 -5.273 -0.114 272 HG3 PRO 43 HG3 PRO 43 21.632 -4.335 1.222 273 HD2 PRO 43 HD2 PRO 43 21.388 -3.273 -1.195 274 HD3 PRO 43 HD3 PRO 43 22.827 -2.954 -0.209 275 H ALA 44 H ALA 44 22.589 -5.935 -3.527 276 HA ALA 44 HA ALA 44 21.644 -8.699 -3.273 277 HB1 ALA 44 HB1 ALA 44 21.143 -6.614 -5.403 278 HB2 ALA 44 HB2 ALA 44 20.013 -7.117 -4.146 279 HB3 ALA 44 HB3 ALA 44 20.484 -8.249 -5.413 280 HA PRO 45 HA PRO 45 25.374 -9.727 -5.391 281 HB2 PRO 45 HB2 PRO 45 25.122 -12.385 -5.542 282 HB3 PRO 45 HB3 PRO 45 25.326 -11.568 -3.986 283 HG2 PRO 45 HG2 PRO 45 22.833 -12.643 -5.246 284 HG3 PRO 45 HG3 PRO 45 23.346 -12.705 -3.552 285 HD2 PRO 45 HD2 PRO 45 21.548 -10.865 -4.602 286 HD3 PRO 45 HD3 PRO 45 22.468 -10.639 -3.101 287 H ASP 46 H ASP 46 22.356 -9.989 -6.825 288 HA ASP 46 HA ASP 46 23.551 -10.862 -9.368 289 HB2 ASP 46 HB2 ASP 46 21.634 -12.212 -8.578 290 HB3 ASP 46 HB3 ASP 46 20.631 -10.769 -8.574 291 H CYS 47 H CYS 47 22.668 -8.173 -7.693 292 HA CYS 47 HA CYS 47 21.708 -6.677 -9.986 293 HB2 CYS 47 HB2 CYS 47 21.008 -6.556 -7.416 294 HB3 CYS 47 HB3 CYS 47 22.293 -5.355 -7.408 295 H HIS 48 H HIS 48 22.785 -4.764 -10.734 296 HA HIS 48 HA HIS 48 25.642 -4.612 -10.046 297 HB2 HIS 48 HB2 HIS 48 24.507 -4.825 -12.840 298 HB3 HIS 48 HB3 HIS 48 26.166 -4.379 -12.482 299 HD1 HIS 48 HD1 HIS 48 27.798 -6.263 -11.987 300 HD2 HIS 48 HD2 HIS 48 23.854 -7.547 -12.267 301 HE1 HIS 48 HE1 HIS 48 27.905 -8.769 -12.072 302 HE2 HIS 48 HE2 HIS 48 25.506 -9.520 -12.039 303 H CYS 49 H CYS 49 23.270 -2.877 -9.491 304 HA CYS 49 HA CYS 49 23.604 -0.578 -11.181 305 HB2 CYS 49 HB2 CYS 49 21.967 0.472 -9.661 306 HB3 CYS 49 HB3 CYS 49 21.421 -1.096 -10.237 307 H GLU 50 H GLU 50 24.997 1.043 -10.872 308 HA GLU 50 HA GLU 50 25.927 1.837 -8.285 309 HB2 GLU 50 HB2 GLU 50 28.337 1.335 -8.709 310 HB3 GLU 50 HB3 GLU 50 27.337 -0.091 -8.467 311 HG2 GLU 50 HG2 GLU 50 27.297 -0.499 -10.859 312 HG3 GLU 50 HG3 GLU 50 28.243 0.961 -11.137 313 H ARG 51 H ARG 51 24.866 2.743 -11.011 314 HA ARG 51 HA ARG 51 26.773 4.960 -11.402 315 HB2 ARG 51 HB2 ARG 51 25.128 3.595 -13.546 316 HB3 ARG 51 HB3 ARG 51 26.232 4.937 -13.793 317 HG2 ARG 51 HG2 ARG 51 27.031 2.210 -12.807 318 HG3 ARG 51 HG3 ARG 51 27.182 2.777 -14.472 319 HD2 ARG 51 HD2 ARG 51 28.930 4.138 -13.992 320 HD3 ARG 51 HD3 ARG 51 28.363 4.481 -12.363 321 HE ARG 51 HE ARG 51 29.105 1.833 -12.345 322 HH11 ARG 51 HH11 ARG 51 30.728 4.856 -13.077 323 HH12 ARG 51 HH12 ARG 51 32.250 4.336 -12.441 324 HH21 ARG 51 HH21 ARG 51 31.119 1.157 -11.458 325 HH22 ARG 51 HH22 ARG 51 32.473 2.238 -11.525 326 H SER 52 H SER 52 24.298 4.708 -9.775 327 HA SER 52 HA SER 52 22.456 6.456 -11.201 328 HB2 SER 52 HB2 SER 52 22.058 5.279 -8.464 329 HB3 SER 52 HB3 SER 52 20.835 5.840 -9.605 330 HG SER 52 HG SER 52 21.580 4.125 -11.026 331 H GLY 53 H GLY 53 25.157 7.113 -9.688 332 HA2 GLY 53 HA2 GLY 53 24.233 9.140 -7.823 333 HA3 GLY 53 HA3 GLY 53 25.907 8.784 -8.235 334 H LYS 54 H LYS 54 26.614 9.426 -10.415 335 HA LYS 54 HA LYS 54 25.608 12.068 -11.074 336 HB2 LYS 54 HB2 LYS 54 27.951 10.460 -12.132 337 HB3 LYS 54 HB3 LYS 54 27.533 12.062 -12.715 338 HG2 LYS 54 HG2 LYS 54 28.155 11.515 -9.822 339 HG3 LYS 54 HG3 LYS 54 29.403 11.909 -11.006 340 HD2 LYS 54 HD2 LYS 54 28.326 14.029 -11.479 341 HD3 LYS 54 HD3 LYS 54 26.995 13.625 -10.398 342 HE2 LYS 54 HE2 LYS 54 28.585 13.560 -8.518 343 HE3 LYS 54 HE3 LYS 54 29.877 14.041 -9.618 344 HZ1 LYS 54 HZ1 LYS 54 29.019 15.940 -8.431 345 HZ2 LYS 54 HZ2 LYS 54 27.451 15.629 -8.977 346 HZ3 LYS 54 HZ3 LYS 54 28.651 16.085 -10.076 347 H VAL 55 H VAL 55 23.571 11.534 -11.932 348 HA VAL 55 HA VAL 55 23.411 9.685 -14.163 349 HB VAL 55 HB VAL 55 21.230 11.395 -12.940 350 HG11 VAL 55 HG11 VAL 55 20.685 10.716 -15.207 351 HG12 VAL 55 HG12 VAL 55 19.694 9.824 -14.052 352 HG13 VAL 55 HG13 VAL 55 21.073 9.041 -14.822 353 HG21 VAL 55 HG21 VAL 55 20.528 9.351 -11.792 354 HG22 VAL 55 HG22 VAL 55 22.162 9.823 -11.322 355 HG23 VAL 55 HG23 VAL 55 21.919 8.497 -12.459 356 H GLY 56 H GLY 56 23.113 13.147 -13.586 357 HA2 GLY 56 HA2 GLY 56 23.666 14.821 -15.126 358 HA3 GLY 56 HA3 GLY 56 23.657 13.617 -16.407 359 H GLY 57 H GLY 57 21.987 16.153 -15.010 360 HA2 GLY 57 HA2 GLY 57 19.449 15.309 -16.232 361 HA3 GLY 57 HA3 GLY 57 19.621 16.549 -14.999 362 H ARG 58 H ARG 58 18.280 16.793 -17.533 363 HA ARG 58 HA ARG 58 19.965 18.412 -19.221 364 HB2 ARG 58 HB2 ARG 58 18.076 17.054 -20.123 365 HB3 ARG 58 HB3 ARG 58 16.955 18.081 -19.241 366 HG2 ARG 58 HG2 ARG 58 16.954 18.814 -21.499 367 HG3 ARG 58 HG3 ARG 58 17.832 20.024 -20.565 368 HD2 ARG 58 HD2 ARG 58 19.008 19.586 -22.632 369 HD3 ARG 58 HD3 ARG 58 19.959 18.982 -21.276 370 HE ARG 58 HE ARG 58 18.279 16.961 -22.385 371 HH11 ARG 58 HH11 ARG 58 21.345 18.618 -22.831 372 HH12 ARG 58 HH12 ARG 58 22.027 17.343 -23.781 373 HH21 ARG 58 HH21 ARG 58 19.203 15.276 -23.611 374 HH22 ARG 58 HH22 ARG 58 20.815 15.435 -24.220 375 H ASP 59 H ASP 59 17.426 18.861 -16.835 376 HA ASP 59 HA ASP 59 16.766 20.601 -15.548 377 HB2 ASP 59 HB2 ASP 59 19.305 20.643 -15.153 378 HB3 ASP 59 HB3 ASP 59 19.355 21.982 -16.289 379 H ILE 60 H ILE 60 16.829 23.308 -15.727 380 HA ILE 60 HA ILE 60 15.555 23.757 -18.316 381 HB ILE 60 HB ILE 60 15.421 25.505 -15.843 382 HG12 ILE 60 HG12 ILE 60 13.373 23.563 -16.943 383 HG13 ILE 60 HG13 ILE 60 14.349 23.298 -15.502 384 HG21 ILE 60 HG21 ILE 60 15.058 26.734 -17.920 385 HG22 ILE 60 HG22 ILE 60 13.557 26.601 -17.007 386 HG23 ILE 60 HG23 ILE 60 13.829 25.569 -18.410 387 HD11 ILE 60 HD11 ILE 60 12.088 24.016 -14.955 388 HD12 ILE 60 HD12 ILE 60 12.332 25.502 -15.872 389 HD13 ILE 60 HD13 ILE 60 13.283 25.196 -14.418 390 H THR 61 H THR 61 17.621 23.864 -19.340 391 HA THR 61 HA THR 61 19.188 26.244 -18.740 392 HB THR 61 HB THR 61 20.415 24.142 -19.178 393 HG1 THR 61 HG1 THR 61 20.735 26.262 -21.043 394 HG21 THR 61 HG21 THR 61 19.265 24.365 -21.963 395 HG22 THR 61 HG22 THR 61 18.889 23.108 -20.785 396 HG23 THR 61 HG23 THR 61 20.513 23.225 -21.461 397 H ASN 62 H ASN 62 16.764 25.112 -20.855 398 HA ASN 62 HA ASN 62 15.566 26.032 -22.540 399 HB2 ASN 62 HB2 ASN 62 15.574 27.908 -20.742 400 HB3 ASN 62 HB3 ASN 62 16.715 28.725 -21.804 401 HD21 ASN 62 HD21 ASN 62 13.435 27.617 -21.421 402 HD22 ASN 62 HD22 ASN 62 12.764 28.556 -22.706 403 H ASN 63 H ASN 63 16.095 28.183 -24.290 404 HA ASN 63 HA ASN 63 18.153 26.987 -25.933 405 HB2 ASN 63 HB2 ASN 63 15.964 27.804 -26.873 406 HB3 ASN 63 HB3 ASN 63 16.475 29.443 -26.487 407 HD21 ASN 63 HD21 ASN 63 17.078 26.663 -28.490 408 HD22 ASN 63 HD22 ASN 63 18.005 27.489 -29.691 409 H GLN 64 H GLN 64 20.188 27.593 -25.891 410 HA GLN 64 HA GLN 64 20.967 29.855 -24.257 411 HB2 GLN 64 HB2 GLN 64 22.664 27.866 -25.750 412 HB3 GLN 64 HB3 GLN 64 23.231 29.025 -24.557 413 HG2 GLN 64 HG2 GLN 64 21.897 27.923 -22.842 414 HG3 GLN 64 HG3 GLN 64 21.300 26.776 -24.041 415 HE21 GLN 64 HE21 GLN 64 24.591 27.951 -23.962 416 HE22 GLN 64 HE22 GLN 64 25.309 26.456 -23.498 417 H LEU 65 H LEU 65 20.069 29.599 -27.356 418 HA LEU 65 HA LEU 65 22.059 31.485 -28.380 419 HB2 LEU 65 HB2 LEU 65 19.818 30.139 -29.877 420 HB3 LEU 65 HB3 LEU 65 21.181 30.997 -30.568 421 HG LEU 65 HG LEU 65 21.314 28.387 -29.068 422 HD11 LEU 65 HD11 LEU 65 21.638 29.011 -31.998 423 HD12 LEU 65 HD12 LEU 65 20.301 28.134 -31.252 424 HD13 LEU 65 HD13 LEU 65 21.923 27.441 -31.246 425 HD21 LEU 65 HD21 LEU 65 23.663 28.343 -29.768 426 HD22 LEU 65 HD22 LEU 65 23.325 29.724 -28.726 427 HD23 LEU 65 HD23 LEU 65 23.486 29.952 -30.468 428 H ASP 66 H ASP 66 20.779 33.006 -30.112 429 HA ASP 66 HA ASP 66 19.043 34.597 -28.422 430 HB2 ASP 66 HB2 ASP 66 19.251 36.324 -30.186 431 HB3 ASP 66 HB3 ASP 66 20.819 35.783 -29.605 432 H GLU 67 H GLU 67 16.936 34.902 -28.715 433 HA GLU 67 HA GLU 67 15.687 33.761 -31.099 434 HB2 GLU 67 HB2 GLU 67 15.490 32.119 -29.268 435 HB3 GLU 67 HB3 GLU 67 14.723 33.338 -28.261 436 HG2 GLU 67 HG2 GLU 67 12.824 33.428 -29.717 437 HG3 GLU 67 HG3 GLU 67 13.611 32.361 -30.876 438 H ALA 68 H ALA 68 14.591 35.292 -32.085 439 HA ALA 68 HA ALA 68 12.883 37.103 -30.634 440 HB1 ALA 68 HB1 ALA 68 15.193 38.206 -32.233 441 HB2 ALA 68 HB2 ALA 68 15.056 38.239 -30.475 442 HB3 ALA 68 HB3 ALA 68 13.913 39.147 -31.466 443 H LEU 69 H LEU 69 11.423 38.196 -31.978 444 HA LEU 69 HA LEU 69 11.434 37.375 -34.790 445 HB2 LEU 69 HB2 LEU 69 8.915 37.169 -34.610 446 HB3 LEU 69 HB3 LEU 69 9.851 35.901 -33.850 447 HG LEU 69 HG LEU 69 9.478 37.160 -31.651 448 HD11 LEU 69 HD11 LEU 69 7.501 38.584 -31.537 449 HD12 LEU 69 HD12 LEU 69 7.330 38.495 -33.290 450 HD13 LEU 69 HD13 LEU 69 8.738 39.285 -32.580 451 HD21 LEU 69 HD21 LEU 69 7.265 36.154 -31.342 452 HD22 LEU 69 HD22 LEU 69 8.370 35.068 -32.184 453 HD23 LEU 69 HD23 LEU 69 7.128 35.936 -33.087 454 H GLU 70 H GLU 70 10.052 38.773 -36.164 455 HA GLU 70 HA GLU 70 10.297 41.538 -35.272 456 HB2 GLU 70 HB2 GLU 70 9.572 40.404 -37.974 457 HB3 GLU 70 HB3 GLU 70 9.774 42.110 -37.614 458 HG2 GLU 70 HG2 GLU 70 12.119 41.660 -37.011 459 HG3 GLU 70 HG3 GLU 70 11.886 39.983 -37.506 460 H GLU 71 H GLU 71 7.883 39.840 -37.221 461 HA GLU 71 HA GLU 71 5.642 39.967 -37.341 462 HB2 GLU 71 HB2 GLU 71 5.946 38.875 -35.108 463 HB3 GLU 71 HB3 GLU 71 5.769 40.456 -34.366 464 HG2 GLU 71 HG2 GLU 71 3.524 40.635 -35.100 465 HG3 GLU 71 HG3 GLU 71 3.686 39.206 -36.122 466 H THR 72 H THR 72 5.701 41.842 -38.585 467 HA THR 72 HA THR 72 5.017 44.316 -37.157 468 HB THR 72 HB THR 72 7.200 44.507 -38.247 469 HG1 THR 72 HG1 THR 72 6.538 46.477 -38.581 470 HG21 THR 72 HG21 THR 72 5.736 43.821 -40.800 471 HG22 THR 72 HG22 THR 72 6.932 42.814 -39.984 472 HG23 THR 72 HG23 THR 72 7.414 44.353 -40.696 473 H PHE 73 H PHE 73 3.800 45.860 -38.629 474 HA PHE 73 HA PHE 73 1.731 44.359 -40.073 475 HB2 PHE 73 HB2 PHE 73 1.538 46.957 -38.531 476 HB3 PHE 73 HB3 PHE 73 0.242 46.325 -39.541 477 HD1 PHE 73 HD1 PHE 73 2.005 46.017 -36.377 478 HD2 PHE 73 HD2 PHE 73 -0.927 44.265 -38.909 479 HE1 PHE 73 HE1 PHE 73 1.198 44.660 -34.494 480 HE2 PHE 73 HE2 PHE 73 -1.742 42.904 -37.030 481 HZ PHE 73 HZ PHE 73 -0.679 43.101 -34.818 482 HA PRO 74 HA PRO 74 2.856 46.671 -43.657 483 HB2 PRO 74 HB2 PRO 74 0.313 46.486 -44.915 484 HB3 PRO 74 HB3 PRO 74 1.670 45.372 -45.085 485 HG2 PRO 74 HG2 PRO 74 -0.778 44.781 -43.872 486 HG3 PRO 74 HG3 PRO 74 0.716 43.846 -43.696 487 HD2 PRO 74 HD2 PRO 74 -0.491 45.868 -41.866 488 HD3 PRO 74 HD3 PRO 74 0.409 44.388 -41.478 489 H ALA 75 H ALA 75 1.889 48.384 -45.267 490 HA ALA 75 HA ALA 75 1.387 50.742 -43.800 491 HB1 ALA 75 HB1 ALA 75 2.548 50.747 -45.967 492 HB2 ALA 75 HB2 ALA 75 1.160 51.835 -45.969 493 HB3 ALA 75 HB3 ALA 75 1.051 50.265 -46.763 494 H SER 76 H SER 76 -0.653 48.505 -45.578 495 HA SER 76 HA SER 76 -3.035 50.046 -45.054 496 HB2 SER 76 HB2 SER 76 -2.844 48.677 -47.124 497 HB3 SER 76 HB3 SER 76 -2.752 47.222 -46.134 498 HG SER 76 HG SER 76 -4.900 48.213 -47.077 499 H ASP 77 H ASP 77 -2.909 50.180 -42.799 500 HA ASP 77 HA ASP 77 -2.931 47.748 -41.248 501 HB2 ASP 77 HB2 ASP 77 -2.796 49.130 -39.309 502 HB3 ASP 77 HB3 ASP 77 -1.732 49.844 -40.512 503 HA PRO 78 HA PRO 78 -7.360 47.488 -40.999 504 HB2 PRO 78 HB2 PRO 78 -7.046 46.116 -38.433 505 HB3 PRO 78 HB3 PRO 78 -7.617 45.467 -39.972 506 HG2 PRO 78 HG2 PRO 78 -5.232 44.778 -38.889 507 HG3 PRO 78 HG3 PRO 78 -5.514 44.836 -40.638 508 HD2 PRO 78 HD2 PRO 78 -4.144 46.820 -38.867 509 HD3 PRO 78 HD3 PRO 78 -3.714 46.267 -40.499 510 H ILE 79 H ILE 79 -9.075 47.752 -39.133 511 HA ILE 79 HA ILE 79 -8.613 50.358 -38.008 512 HB ILE 79 HB ILE 79 -10.988 48.538 -37.552 513 HG12 ILE 79 HG12 ILE 79 -10.697 48.941 -39.946 514 HG13 ILE 79 HG13 ILE 79 -12.095 49.820 -39.341 515 HG21 ILE 79 HG21 ILE 79 -12.172 50.615 -37.006 516 HG22 ILE 79 HG22 ILE 79 -10.680 51.523 -37.236 517 HG23 ILE 79 HG23 ILE 79 -10.802 50.349 -35.926 518 HD11 ILE 79 HD11 ILE 79 -10.832 51.163 -40.907 519 HD12 ILE 79 HD12 ILE 79 -9.383 50.984 -39.920 520 HD13 ILE 79 HD13 ILE 79 -10.772 51.874 -39.294 521 H SER 80 H SER 80 -7.495 50.636 -36.227 522 HA SER 80 HA SER 80 -6.871 48.635 -34.355 523 HB2 SER 80 HB2 SER 80 -6.771 51.646 -34.040 524 HB3 SER 80 HB3 SER 80 -5.912 50.476 -33.035 525 HG SER 80 HG SER 80 -5.170 49.806 -35.374 526 HA PRO 81 HA PRO 81 -10.409 48.573 -31.692 527 HB2 PRO 81 HB2 PRO 81 -9.251 48.072 -29.269 528 HB3 PRO 81 HB3 PRO 81 -9.451 46.842 -30.521 529 HG2 PRO 81 HG2 PRO 81 -7.032 48.445 -29.808 530 HG3 PRO 81 HG3 PRO 81 -7.152 46.730 -30.239 531 HD2 PRO 81 HD2 PRO 81 -6.322 48.625 -31.987 532 HD3 PRO 81 HD3 PRO 81 -7.208 47.174 -32.497 Start of MODEL 10 1 HA ASN 1 HA ASN 1 28.908 -0.309 2.406 2 HB2 ASN 1 HB2 ASN 1 27.951 -1.650 4.264 3 HB3 ASN 1 HB3 ASN 1 29.472 -0.880 4.696 4 HD21 ASN 1 HD21 ASN 1 29.482 0.772 6.197 5 HD22 ASN 1 HD22 ASN 1 28.130 1.106 7.218 6 H GLU 2 H GLU 2 26.916 2.246 3.222 7 HA GLU 2 HA GLU 2 24.404 0.911 2.751 8 HB2 GLU 2 HB2 GLU 2 25.018 3.868 2.845 9 HB3 GLU 2 HB3 GLU 2 23.419 3.142 2.881 10 HG2 GLU 2 HG2 GLU 2 23.993 2.059 5.016 11 HG3 GLU 2 HG3 GLU 2 25.552 2.882 4.983 12 H LEU 3 H LEU 3 23.056 1.252 0.938 13 HA LEU 3 HA LEU 3 24.565 1.664 -1.499 14 HB2 LEU 3 HB2 LEU 3 21.972 0.385 -0.823 15 HB3 LEU 3 HB3 LEU 3 22.136 1.062 -2.430 16 HG LEU 3 HG LEU 3 22.635 -1.360 -2.338 17 HD11 LEU 3 HD11 LEU 3 24.691 -1.281 -3.624 18 HD12 LEU 3 HD12 LEU 3 25.014 0.349 -3.040 19 HD13 LEU 3 HD13 LEU 3 23.621 0.044 -4.077 20 HD21 LEU 3 HD21 LEU 3 24.986 -0.505 -0.663 21 HD22 LEU 3 HD22 LEU 3 24.715 -2.124 -1.311 22 HD23 LEU 3 HD23 LEU 3 23.611 -1.456 -0.109 23 H ARG 4 H ARG 4 23.949 3.073 -3.120 24 HA ARG 4 HA ARG 4 22.416 5.378 -2.123 25 HB2 ARG 4 HB2 ARG 4 24.872 5.339 -3.877 26 HB3 ARG 4 HB3 ARG 4 23.872 6.765 -3.645 27 HG2 ARG 4 HG2 ARG 4 24.340 6.670 -1.225 28 HG3 ARG 4 HG3 ARG 4 25.397 5.286 -1.506 29 HD2 ARG 4 HD2 ARG 4 26.866 6.617 -2.866 30 HD3 ARG 4 HD3 ARG 4 25.757 7.984 -2.796 31 HE ARG 4 HE ARG 4 26.871 7.003 -0.277 32 HH11 ARG 4 HH11 ARG 4 26.906 9.442 -2.797 33 HH12 ARG 4 HH12 ARG 4 27.736 10.615 -1.839 34 HH21 ARG 4 HH21 ARG 4 27.980 8.564 0.999 35 HH22 ARG 4 HH22 ARG 4 28.345 10.116 0.331 36 H CYS 5 H CYS 5 21.188 6.549 -3.632 37 HA CYS 5 HA CYS 5 20.082 4.830 -5.671 38 HB2 CYS 5 HB2 CYS 5 18.549 6.004 -4.208 39 HB3 CYS 5 HB3 CYS 5 19.232 7.550 -4.681 40 H GLY 6 H GLY 6 20.117 5.176 -7.830 41 HA2 GLY 6 HA2 GLY 6 22.316 6.602 -8.895 42 HA3 GLY 6 HA3 GLY 6 21.046 5.819 -9.818 43 H CYS 7 H CYS 7 18.958 7.493 -8.443 44 HA CYS 7 HA CYS 7 19.010 9.610 -10.354 45 HB2 CYS 7 HB2 CYS 7 16.882 8.605 -9.766 46 HB3 CYS 7 HB3 CYS 7 17.092 9.058 -8.081 47 HA PRO 8 HA PRO 8 21.372 12.317 -7.675 48 HB2 PRO 8 HB2 PRO 8 21.624 14.300 -9.486 49 HB3 PRO 8 HB3 PRO 8 22.607 12.829 -9.512 50 HG2 PRO 8 HG2 PRO 8 20.195 13.533 -11.133 51 HG3 PRO 8 HG3 PRO 8 21.697 12.746 -11.651 52 HD2 PRO 8 HD2 PRO 8 19.417 11.379 -11.148 53 HD3 PRO 8 HD3 PRO 8 21.030 10.686 -10.878 54 H ASP 9 H ASP 9 18.315 12.896 -9.136 55 HA ASP 9 HA ASP 9 17.967 15.440 -7.726 56 HB2 ASP 9 HB2 ASP 9 17.151 15.156 -10.097 57 HB3 ASP 9 HB3 ASP 9 15.969 14.002 -9.488 58 H CYS 10 H CYS 10 17.399 12.147 -7.366 59 HA CYS 10 HA CYS 10 15.099 12.343 -5.652 60 HB2 CYS 10 HB2 CYS 10 15.350 10.344 -6.962 61 HB3 CYS 10 HB3 CYS 10 16.965 10.071 -6.319 62 H HIS 11 H HIS 11 15.042 12.168 -3.459 63 HA HIS 11 HA HIS 11 17.646 12.176 -2.098 64 HB2 HIS 11 HB2 HIS 11 15.146 13.724 -1.413 65 HB3 HIS 11 HB3 HIS 11 16.459 13.478 -0.267 66 HD2 HIS 11 HD2 HIS 11 16.116 15.062 -3.860 67 HE1 HIS 11 HE1 HIS 11 19.112 17.110 -1.674 68 HE2 HIS 11 HE2 HIS 11 17.648 17.148 -3.715 69 H CYS 12 H CYS 12 17.671 10.035 -1.784 70 HA CYS 12 HA CYS 12 15.796 9.083 0.210 71 HB2 CYS 12 HB2 CYS 12 15.844 8.188 -2.547 72 HB3 CYS 12 HB3 CYS 12 16.032 6.866 -1.397 73 H LYS 13 H LYS 13 16.389 6.617 0.498 74 HA LYS 13 HA LYS 13 19.258 6.421 1.031 75 HB2 LYS 13 HB2 LYS 13 18.392 5.436 3.298 76 HB3 LYS 13 HB3 LYS 13 18.525 7.183 3.096 77 HG2 LYS 13 HG2 LYS 13 16.092 7.146 2.380 78 HG3 LYS 13 HG3 LYS 13 16.046 5.491 2.982 79 HD2 LYS 13 HD2 LYS 13 16.626 6.228 5.183 80 HD3 LYS 13 HD3 LYS 13 16.882 7.874 4.604 81 HE2 LYS 13 HE2 LYS 13 14.723 7.571 5.757 82 HE3 LYS 13 HE3 LYS 13 14.558 8.114 4.089 83 HZ1 LYS 13 HZ1 LYS 13 13.990 5.895 3.424 84 HZ2 LYS 13 HZ2 LYS 13 12.976 6.358 4.691 85 HZ3 LYS 13 HZ3 LYS 13 14.258 5.297 4.981 86 H VAL 14 H VAL 14 19.818 4.627 -0.050 87 HA VAL 14 HA VAL 14 17.846 2.523 -0.453 88 HB VAL 14 HB VAL 14 20.625 2.663 -1.627 89 HG11 VAL 14 HG11 VAL 14 19.640 1.296 -3.394 90 HG12 VAL 14 HG12 VAL 14 18.110 1.279 -2.520 91 HG13 VAL 14 HG13 VAL 14 19.537 0.510 -1.818 92 HG21 VAL 14 HG21 VAL 14 19.605 3.706 -3.608 93 HG22 VAL 14 HG22 VAL 14 19.493 4.733 -2.179 94 HG23 VAL 14 HG23 VAL 14 18.079 3.839 -2.733 95 H ASP 15 H ASP 15 18.176 0.377 0.158 96 HA ASP 15 HA ASP 15 20.168 0.019 2.296 97 HB2 ASP 15 HB2 ASP 15 17.567 -0.344 2.627 98 HB3 ASP 15 HB3 ASP 15 17.925 -1.859 1.819 99 HA PRO 16 HA PRO 16 22.280 -3.025 -0.218 100 HB2 PRO 16 HB2 PRO 16 22.903 -4.300 2.379 101 HB3 PRO 16 HB3 PRO 16 24.008 -3.699 1.139 102 HG2 PRO 16 HG2 PRO 16 23.696 -2.397 3.444 103 HG3 PRO 16 HG3 PRO 16 23.900 -1.517 1.919 104 HD2 PRO 16 HD2 PRO 16 21.407 -2.061 3.477 105 HD3 PRO 16 HD3 PRO 16 21.905 -0.576 2.649 106 H GLU 17 H GLU 17 19.813 -3.744 2.135 107 HA GLU 17 HA GLU 17 19.606 -6.530 1.250 108 HB2 GLU 17 HB2 GLU 17 18.125 -4.977 3.393 109 HB3 GLU 17 HB3 GLU 17 17.795 -6.654 2.997 110 HG2 GLU 17 HG2 GLU 17 20.582 -5.907 3.737 111 HG3 GLU 17 HG3 GLU 17 19.370 -5.970 5.011 112 H ARG 18 H ARG 18 18.432 -3.483 0.409 113 HA ARG 18 HA ARG 18 16.285 -4.661 -1.185 114 HB2 ARG 18 HB2 ARG 18 15.886 -2.413 0.780 115 HB3 ARG 18 HB3 ARG 18 14.758 -2.752 -0.515 116 HG2 ARG 18 HG2 ARG 18 14.560 -5.085 0.465 117 HG3 ARG 18 HG3 ARG 18 15.430 -4.452 1.865 118 HD2 ARG 18 HD2 ARG 18 13.720 -2.717 2.120 119 HD3 ARG 18 HD3 ARG 18 12.847 -3.389 0.749 120 HE ARG 18 HE ARG 18 13.341 -4.983 3.172 121 HH11 ARG 18 HH11 ARG 18 11.143 -3.663 0.767 122 HH12 ARG 18 HH12 ARG 18 9.741 -4.408 1.448 123 HH21 ARG 18 HH21 ARG 18 11.475 -5.990 4.072 124 HH22 ARG 18 HH22 ARG 18 9.931 -5.748 3.334 125 H VAL 19 H VAL 19 18.629 -3.858 -2.267 126 HA VAL 19 HA VAL 19 18.143 -1.171 -3.324 127 HB VAL 19 HB VAL 19 20.404 -1.351 -2.572 128 HG11 VAL 19 HG11 VAL 19 20.585 -3.778 -2.465 129 HG12 VAL 19 HG12 VAL 19 21.944 -3.089 -3.354 130 HG13 VAL 19 HG13 VAL 19 20.620 -3.861 -4.227 131 HG21 VAL 19 HG21 VAL 19 20.149 -0.194 -4.690 132 HG22 VAL 19 HG22 VAL 19 20.389 -1.709 -5.560 133 HG23 VAL 19 HG23 VAL 19 21.701 -1.025 -4.598 134 H PHE 20 H PHE 20 17.173 -0.897 -5.204 135 HA PHE 20 HA PHE 20 16.761 -3.086 -7.008 136 HB2 PHE 20 HB2 PHE 20 15.981 -0.191 -6.982 137 HB3 PHE 20 HB3 PHE 20 15.741 -1.183 -8.413 138 HD1 PHE 20 HD1 PHE 20 14.903 -0.945 -4.808 139 HD2 PHE 20 HD2 PHE 20 13.888 -2.548 -8.611 140 HE1 PHE 20 HE1 PHE 20 12.766 -1.748 -3.893 141 HE2 PHE 20 HE2 PHE 20 11.756 -3.351 -7.720 142 HZ PHE 20 HZ PHE 20 11.186 -2.954 -5.346 143 H ASN 21 H ASN 21 18.384 -3.728 -8.255 144 HA ASN 21 HA ASN 21 20.327 -1.783 -9.205 145 HB2 ASN 21 HB2 ASN 21 20.251 -4.791 -9.440 146 HB3 ASN 21 HB3 ASN 21 21.519 -3.777 -10.107 147 HD21 ASN 21 HD21 ASN 21 21.557 -1.907 -7.927 148 HD22 ASN 21 HD22 ASN 21 22.289 -2.720 -6.591 149 H HIS 22 H HIS 22 20.480 -1.080 -11.213 150 HA HIS 22 HA HIS 22 19.026 -2.441 -13.322 151 HB2 HIS 22 HB2 HIS 22 17.421 -0.810 -12.383 152 HB3 HIS 22 HB3 HIS 22 18.571 0.477 -12.687 153 HD2 HIS 22 HD2 HIS 22 15.968 -1.647 -14.618 154 HE1 HIS 22 HE1 HIS 22 17.683 1.111 -17.342 155 HE2 HIS 22 HE2 HIS 22 15.791 -0.490 -16.919 156 H ASP 23 H ASP 23 20.329 -2.597 -14.996 157 HA ASP 23 HA ASP 23 21.948 -2.219 -16.539 158 HB2 ASP 23 HB2 ASP 23 20.442 -0.148 -16.793 159 HB3 ASP 23 HB3 ASP 23 21.707 0.725 -15.938 160 H GLY 24 H GLY 24 22.648 -2.423 -13.637 161 HA2 GLY 24 HA2 GLY 24 24.780 -2.741 -12.709 162 HA3 GLY 24 HA3 GLY 24 25.451 -1.684 -13.943 163 H GLU 25 H GLU 25 22.655 -0.647 -12.223 164 HA GLU 25 HA GLU 25 24.326 1.083 -10.537 165 HB2 GLU 25 HB2 GLU 25 22.447 1.857 -12.572 166 HB3 GLU 25 HB3 GLU 25 21.923 2.453 -11.001 167 HG2 GLU 25 HG2 GLU 25 24.506 2.997 -12.421 168 HG3 GLU 25 HG3 GLU 25 23.247 4.145 -11.968 169 H ALA 26 H ALA 26 23.052 2.090 -8.764 170 HA ALA 26 HA ALA 26 21.240 0.087 -7.590 171 HB1 ALA 26 HB1 ALA 26 22.021 0.915 -5.411 172 HB2 ALA 26 HB2 ALA 26 23.111 2.030 -6.234 173 HB3 ALA 26 HB3 ALA 26 23.349 0.288 -6.386 174 H TYR 27 H TYR 27 19.286 0.786 -6.836 175 HA TYR 27 HA TYR 27 18.752 3.669 -6.826 176 HB2 TYR 27 HB2 TYR 27 17.150 1.616 -8.361 177 HB3 TYR 27 HB3 TYR 27 16.589 3.250 -8.033 178 HD1 TYR 27 HD1 TYR 27 18.671 1.157 -10.144 179 HD2 TYR 27 HD2 TYR 27 17.798 5.182 -9.060 180 HE1 TYR 27 HE1 TYR 27 19.775 1.948 -12.193 181 HE2 TYR 27 HE2 TYR 27 18.895 5.976 -11.111 182 HH TYR 27 HH TYR 27 19.783 3.843 -13.647 183 H CYS 28 H CYS 28 16.749 4.236 -5.690 184 HA CYS 28 HA CYS 28 16.441 2.670 -3.310 185 HB2 CYS 28 HB2 CYS 28 14.865 4.383 -2.613 186 HB3 CYS 28 HB3 CYS 28 16.268 5.158 -3.339 187 H SER 29 H SER 29 14.803 3.005 -6.323 188 HA SER 29 HA SER 29 13.208 0.709 -5.802 189 HB2 SER 29 HB2 SER 29 11.803 2.402 -4.717 190 HB3 SER 29 HB3 SER 29 11.853 3.400 -6.162 191 HG SER 29 HG SER 29 10.270 1.281 -5.577 192 H GLN 30 H GLN 30 12.138 0.005 -7.694 193 HA GLN 30 HA GLN 30 13.552 0.252 -10.046 194 HB2 GLN 30 HB2 GLN 30 11.940 -1.563 -9.388 195 HB3 GLN 30 HB3 GLN 30 10.640 -0.484 -9.875 196 HG2 GLN 30 HG2 GLN 30 11.510 -0.431 -12.137 197 HG3 GLN 30 HG3 GLN 30 12.848 -1.472 -11.645 198 HE21 GLN 30 HE21 GLN 30 12.270 -3.041 -13.114 199 HE22 GLN 30 HE22 GLN 30 10.900 -4.065 -12.874 200 H ALA 31 H ALA 31 11.067 2.294 -8.775 201 HA ALA 31 HA ALA 31 10.107 3.592 -11.039 202 HB1 ALA 31 HB1 ALA 31 9.199 3.936 -8.775 203 HB2 ALA 31 HB2 ALA 31 9.596 5.470 -9.550 204 HB3 ALA 31 HB3 ALA 31 10.670 4.798 -8.324 205 H CYS 32 H CYS 32 12.928 4.463 -9.020 206 HA CYS 32 HA CYS 32 13.826 6.440 -10.885 207 HB2 CYS 32 HB2 CYS 32 14.944 5.270 -8.360 208 HB3 CYS 32 HB3 CYS 32 15.941 6.278 -9.400 209 H ALA 33 H ALA 33 14.312 3.055 -10.363 210 HA ALA 33 HA ALA 33 16.760 2.678 -11.592 211 HB1 ALA 33 HB1 ALA 33 14.371 0.845 -11.680 212 HB2 ALA 33 HB2 ALA 33 15.565 0.917 -10.382 213 HB3 ALA 33 HB3 ALA 33 16.041 0.386 -11.994 214 H GLU 34 H GLU 34 13.498 2.849 -12.982 215 HA GLU 34 HA GLU 34 14.476 2.546 -15.673 216 HB2 GLU 34 HB2 GLU 34 11.743 3.297 -14.652 217 HB3 GLU 34 HB3 GLU 34 12.136 2.953 -16.332 218 HG2 GLU 34 HG2 GLU 34 13.030 0.711 -15.231 219 HG3 GLU 34 HG3 GLU 34 11.819 1.137 -14.031 220 H GLN 35 H GLN 35 14.821 4.966 -13.616 221 HA GLN 35 HA GLN 35 15.296 7.174 -13.754 222 HB2 GLN 35 HB2 GLN 35 15.536 6.643 -16.715 223 HB3 GLN 35 HB3 GLN 35 16.289 7.955 -15.812 224 HG2 GLN 35 HG2 GLN 35 17.648 6.376 -14.586 225 HG3 GLN 35 HG3 GLN 35 16.849 5.030 -15.393 226 HE21 GLN 35 HE21 GLN 35 17.300 4.622 -17.551 227 HE22 GLN 35 HE22 GLN 35 18.705 5.263 -18.327 228 H HIS 36 H HIS 36 12.594 6.497 -13.738 229 HA HIS 36 HA HIS 36 10.515 7.368 -13.998 230 HB2 HIS 36 HB2 HIS 36 11.940 9.911 -14.803 231 HB3 HIS 36 HB3 HIS 36 10.294 9.781 -14.187 232 HD1 HIS 36 HD1 HIS 36 10.101 9.055 -11.598 233 HD2 HIS 36 HD2 HIS 36 13.887 10.130 -12.930 234 HE1 HIS 36 HE1 HIS 36 11.449 9.482 -9.530 235 HA PRO 37 HA PRO 37 10.798 6.602 -18.544 236 HB2 PRO 37 HB2 PRO 37 8.840 4.705 -18.579 237 HB3 PRO 37 HB3 PRO 37 10.536 4.345 -18.243 238 HG2 PRO 37 HG2 PRO 37 8.259 4.690 -16.344 239 HG3 PRO 37 HG3 PRO 37 9.582 3.513 -16.304 240 HD2 PRO 37 HD2 PRO 37 9.540 5.736 -14.751 241 HD3 PRO 37 HD3 PRO 37 11.045 5.008 -15.341 242 H ASN 38 H ASN 38 7.925 6.961 -16.518 243 HA ASN 38 HA ASN 38 6.708 8.462 -18.715 244 HB2 ASN 38 HB2 ASN 38 5.505 6.543 -16.800 245 HB3 ASN 38 HB3 ASN 38 4.516 7.881 -17.376 246 HD21 ASN 38 HD21 ASN 38 6.563 5.286 -18.445 247 HD22 ASN 38 HD22 ASN 38 5.724 4.948 -19.917 248 H GLY 39 H GLY 39 8.330 9.029 -16.087 249 HA2 GLY 39 HA2 GLY 39 8.467 11.155 -15.052 250 HA3 GLY 39 HA3 GLY 39 6.764 11.403 -15.404 251 H GLU 40 H GLU 40 6.789 8.383 -14.297 252 HA GLU 40 HA GLU 40 5.563 8.850 -11.842 253 HB2 GLU 40 HB2 GLU 40 6.319 6.607 -13.402 254 HB3 GLU 40 HB3 GLU 40 6.947 6.327 -11.789 255 HG2 GLU 40 HG2 GLU 40 4.069 7.010 -12.366 256 HG3 GLU 40 HG3 GLU 40 4.681 5.366 -12.247 257 HA PRO 41 HA PRO 41 9.264 10.010 -9.456 258 HB2 PRO 41 HB2 PRO 41 7.285 10.171 -7.269 259 HB3 PRO 41 HB3 PRO 41 8.370 11.420 -7.883 260 HG2 PRO 41 HG2 PRO 41 5.724 11.517 -8.328 261 HG3 PRO 41 HG3 PRO 41 6.894 12.082 -9.532 262 HD2 PRO 41 HD2 PRO 41 5.350 9.519 -9.444 263 HD3 PRO 41 HD3 PRO 41 5.735 10.563 -10.829 264 H CYS 42 H CYS 42 10.070 9.196 -7.202 265 HA CYS 42 HA CYS 42 9.801 6.336 -7.179 266 HB2 CYS 42 HB2 CYS 42 11.509 6.347 -5.483 267 HB3 CYS 42 HB3 CYS 42 11.955 7.554 -6.681 268 HA PRO 43 HA PRO 43 6.575 5.800 -4.233 269 HB2 PRO 43 HB2 PRO 43 7.457 3.743 -2.703 270 HB3 PRO 43 HB3 PRO 43 6.973 3.547 -4.397 271 HG2 PRO 43 HG2 PRO 43 9.711 3.898 -3.240 272 HG3 PRO 43 HG3 PRO 43 9.141 2.692 -4.410 273 HD2 PRO 43 HD2 PRO 43 10.446 4.862 -5.209 274 HD3 PRO 43 HD3 PRO 43 9.086 4.220 -6.149 275 H ALA 44 H ALA 44 8.676 7.797 -3.369 276 HA ALA 44 HA ALA 44 8.334 7.568 -0.447 277 HB1 ALA 44 HB1 ALA 44 10.204 9.165 -0.274 278 HB2 ALA 44 HB2 ALA 44 10.349 9.169 -2.031 279 HB3 ALA 44 HB3 ALA 44 10.673 7.692 -1.122 280 HA PRO 45 HA PRO 45 5.369 10.816 -1.015 281 HB2 PRO 45 HB2 PRO 45 4.829 11.342 1.571 282 HB3 PRO 45 HB3 PRO 45 4.285 9.857 0.781 283 HG2 PRO 45 HG2 PRO 45 6.647 10.290 2.570 284 HG3 PRO 45 HG3 PRO 45 5.469 8.966 2.576 285 HD2 PRO 45 HD2 PRO 45 7.928 8.750 1.437 286 HD3 PRO 45 HD3 PRO 45 6.510 7.864 0.843 287 H ASP 46 H ASP 46 8.157 11.275 1.103 288 HA ASP 46 HA ASP 46 7.779 14.144 1.184 289 HB2 ASP 46 HB2 ASP 46 8.753 12.901 3.110 290 HB3 ASP 46 HB3 ASP 46 10.150 12.508 2.115 291 H CYS 47 H CYS 47 9.248 11.888 -0.835 292 HA CYS 47 HA CYS 47 11.113 13.792 -1.971 293 HB2 CYS 47 HB2 CYS 47 11.567 11.302 -1.543 294 HB3 CYS 47 HB3 CYS 47 10.564 11.037 -2.971 295 H HIS 48 H HIS 48 10.970 14.514 -4.141 296 HA HIS 48 HA HIS 48 8.509 13.873 -5.585 297 HB2 HIS 48 HB2 HIS 48 9.290 16.684 -4.779 298 HB3 HIS 48 HB3 HIS 48 8.075 16.318 -5.998 299 HD1 HIS 48 HD1 HIS 48 5.793 15.448 -5.171 300 HD2 HIS 48 HD2 HIS 48 8.513 16.169 -2.115 301 HE1 HIS 48 HE1 HIS 48 4.459 15.348 -3.042 302 HE2 HIS 48 HE2 HIS 48 6.147 15.637 -1.206 303 H CYS 49 H CYS 49 11.066 13.042 -6.252 304 HA CYS 49 HA CYS 49 12.154 14.798 -8.281 305 HB2 CYS 49 HB2 CYS 49 13.673 12.899 -8.708 306 HB3 CYS 49 HB3 CYS 49 13.656 13.373 -7.011 307 H GLU 50 H GLU 50 11.771 14.680 -10.413 308 HA GLU 50 HA GLU 50 10.778 12.443 -11.793 309 HB2 GLU 50 HB2 GLU 50 8.463 13.312 -12.285 310 HB3 GLU 50 HB3 GLU 50 8.710 12.710 -10.652 311 HG2 GLU 50 HG2 GLU 50 8.966 15.011 -9.850 312 HG3 GLU 50 HG3 GLU 50 8.683 15.606 -11.482 313 H ARG 51 H ARG 51 11.456 15.805 -11.588 314 HA ARG 51 HA ARG 51 11.487 15.970 -14.520 315 HB2 ARG 51 HB2 ARG 51 10.776 18.103 -12.519 316 HB3 ARG 51 HB3 ARG 51 11.001 18.390 -14.238 317 HG2 ARG 51 HG2 ARG 51 9.106 17.136 -14.808 318 HG3 ARG 51 HG3 ARG 51 9.005 16.408 -13.204 319 HD2 ARG 51 HD2 ARG 51 8.405 18.514 -12.233 320 HD3 ARG 51 HD3 ARG 51 8.668 19.341 -13.766 321 HE ARG 51 HE ARG 51 6.500 17.403 -13.253 322 HH11 ARG 51 HH11 ARG 51 7.771 20.213 -14.943 323 HH12 ARG 51 HH12 ARG 51 6.286 20.558 -15.748 324 HH21 ARG 51 HH21 ARG 51 4.525 17.873 -14.324 325 HH22 ARG 51 HH22 ARG 51 4.442 19.225 -15.409 326 H SER 52 H SER 52 13.728 15.059 -13.615 327 HA SER 52 HA SER 52 15.598 17.035 -12.783 328 HB2 SER 52 HB2 SER 52 17.227 15.174 -13.620 329 HB3 SER 52 HB3 SER 52 16.214 14.865 -12.207 330 HG SER 52 HG SER 52 15.536 14.135 -14.868 331 H GLY 53 H GLY 53 17.565 17.575 -14.129 332 HA2 GLY 53 HA2 GLY 53 16.807 18.996 -16.423 333 HA3 GLY 53 HA3 GLY 53 18.459 18.678 -15.930 334 H LYS 54 H LYS 54 19.443 16.648 -16.656 335 HA LYS 54 HA LYS 54 18.086 15.485 -18.962 336 HB2 LYS 54 HB2 LYS 54 20.342 15.458 -20.184 337 HB3 LYS 54 HB3 LYS 54 19.463 16.973 -20.122 338 HG2 LYS 54 HG2 LYS 54 20.932 17.809 -18.405 339 HG3 LYS 54 HG3 LYS 54 21.748 16.249 -18.298 340 HD2 LYS 54 HD2 LYS 54 22.650 16.492 -20.516 341 HD3 LYS 54 HD3 LYS 54 21.660 17.921 -20.814 342 HE2 LYS 54 HE2 LYS 54 24.028 18.449 -20.306 343 HE3 LYS 54 HE3 LYS 54 22.886 19.180 -19.179 344 HZ1 LYS 54 HZ1 LYS 54 24.804 18.208 -18.059 345 HZ2 LYS 54 HZ2 LYS 54 24.413 16.684 -18.675 346 HZ3 LYS 54 HZ3 LYS 54 23.369 17.455 -17.593 347 H VAL 55 H VAL 55 17.683 13.576 -18.115 348 HA VAL 55 HA VAL 55 19.876 11.732 -17.910 349 HB VAL 55 HB VAL 55 19.548 12.677 -15.578 350 HG11 VAL 55 HG11 VAL 55 16.935 11.198 -15.743 351 HG12 VAL 55 HG12 VAL 55 17.151 12.941 -15.590 352 HG13 VAL 55 HG13 VAL 55 17.636 11.873 -14.273 353 HG21 VAL 55 HG21 VAL 55 19.647 10.489 -14.459 354 HG22 VAL 55 HG22 VAL 55 20.636 10.528 -15.917 355 HG23 VAL 55 HG23 VAL 55 19.070 9.719 -15.936 356 H GLY 56 H GLY 56 19.104 9.516 -18.063 357 HA2 GLY 56 HA2 GLY 56 16.773 8.337 -18.027 358 HA3 GLY 56 HA3 GLY 56 16.485 9.423 -19.379 359 H GLY 57 H GLY 57 19.556 8.990 -19.839 360 HA2 GLY 57 HA2 GLY 57 20.367 6.555 -20.425 361 HA3 GLY 57 HA3 GLY 57 19.130 6.766 -21.657 362 H ARG 58 H ARG 58 21.423 6.285 -22.667 363 HA ARG 58 HA ARG 58 22.774 8.818 -23.259 364 HB2 ARG 58 HB2 ARG 58 24.181 6.954 -22.561 365 HB3 ARG 58 HB3 ARG 58 23.530 5.959 -23.852 366 HG2 ARG 58 HG2 ARG 58 24.540 7.458 -25.502 367 HG3 ARG 58 HG3 ARG 58 25.203 8.433 -24.186 368 HD2 ARG 58 HD2 ARG 58 26.833 6.830 -25.142 369 HD3 ARG 58 HD3 ARG 58 26.537 6.587 -23.420 370 HE ARG 58 HE ARG 58 24.822 4.857 -24.430 371 HH11 ARG 58 HH11 ARG 58 28.139 5.470 -25.365 372 HH12 ARG 58 HH12 ARG 58 28.422 3.850 -25.896 373 HH21 ARG 58 HH21 ARG 58 25.182 2.719 -25.113 374 HH22 ARG 58 HH22 ARG 58 26.720 2.267 -25.759 375 H ASP 59 H ASP 59 20.533 6.599 -24.494 376 HA ASP 59 HA ASP 59 20.948 7.437 -27.250 377 HB2 ASP 59 HB2 ASP 59 19.204 5.758 -27.782 378 HB3 ASP 59 HB3 ASP 59 20.605 5.061 -26.973 379 H ILE 60 H ILE 60 19.655 8.797 -28.277 380 HA ILE 60 HA ILE 60 17.733 10.246 -26.695 381 HB ILE 60 HB ILE 60 18.510 10.680 -29.587 382 HG12 ILE 60 HG12 ILE 60 20.448 10.908 -28.096 383 HG13 ILE 60 HG13 ILE 60 19.965 12.472 -28.737 384 HG21 ILE 60 HG21 ILE 60 17.576 12.929 -29.256 385 HG22 ILE 60 HG22 ILE 60 17.076 12.473 -27.628 386 HG23 ILE 60 HG23 ILE 60 16.360 11.672 -29.026 387 HD11 ILE 60 HD11 ILE 60 18.845 12.976 -26.619 388 HD12 ILE 60 HD12 ILE 60 20.562 12.639 -26.398 389 HD13 ILE 60 HD13 ILE 60 19.362 11.416 -25.981 390 H THR 61 H THR 61 16.257 8.565 -26.412 391 HA THR 61 HA THR 61 14.508 8.107 -28.720 392 HB THR 61 HB THR 61 14.750 6.345 -26.265 393 HG1 THR 61 HG1 THR 61 16.560 5.645 -27.116 394 HG21 THR 61 HG21 THR 61 13.611 5.844 -29.023 395 HG22 THR 61 HG22 THR 61 12.672 6.104 -27.552 396 HG23 THR 61 HG23 THR 61 13.682 4.666 -27.713 397 H ASN 62 H ASN 62 12.201 7.991 -28.156 398 HA ASN 62 HA ASN 62 10.276 8.600 -27.112 399 HB2 ASN 62 HB2 ASN 62 11.494 7.590 -25.055 400 HB3 ASN 62 HB3 ASN 62 11.827 9.253 -24.595 401 HD21 ASN 62 HD21 ASN 62 9.371 6.823 -25.007 402 HD22 ASN 62 HD22 ASN 62 8.138 7.635 -24.105 403 H ASN 63 H ASN 63 9.789 10.724 -25.288 404 HA ASN 63 HA ASN 63 9.628 12.945 -26.984 405 HB2 ASN 63 HB2 ASN 63 8.403 12.382 -24.758 406 HB3 ASN 63 HB3 ASN 63 9.745 13.255 -24.024 407 HD21 ASN 63 HD21 ASN 63 10.066 15.413 -24.597 408 HD22 ASN 63 HD22 ASN 63 8.734 16.385 -25.135 409 H GLN 64 H GLN 64 11.205 14.086 -27.818 410 HA GLN 64 HA GLN 64 13.701 14.435 -26.345 411 HB2 GLN 64 HB2 GLN 64 13.689 13.708 -28.760 412 HB3 GLN 64 HB3 GLN 64 13.024 15.278 -29.174 413 HG2 GLN 64 HG2 GLN 64 15.030 16.379 -28.415 414 HG3 GLN 64 HG3 GLN 64 15.688 14.853 -27.835 415 HE21 GLN 64 HE21 GLN 64 13.937 15.135 -30.853 416 HE22 GLN 64 HE22 GLN 64 15.294 14.860 -31.888 417 H LEU 65 H LEU 65 10.794 15.987 -26.766 418 HA LEU 65 HA LEU 65 11.767 18.719 -26.695 419 HB2 LEU 65 HB2 LEU 65 8.945 17.805 -26.198 420 HB3 LEU 65 HB3 LEU 65 9.486 19.377 -26.741 421 HG LEU 65 HG LEU 65 9.539 16.828 -28.332 422 HD11 LEU 65 HD11 LEU 65 7.300 17.709 -28.037 423 HD12 LEU 65 HD12 LEU 65 7.838 17.933 -29.702 424 HD13 LEU 65 HD13 LEU 65 7.835 19.298 -28.585 425 HD21 LEU 65 HD21 LEU 65 11.414 18.266 -28.899 426 HD22 LEU 65 HD22 LEU 65 10.320 19.632 -29.126 427 HD23 LEU 65 HD23 LEU 65 10.231 18.239 -30.207 428 H ASP 66 H ASP 66 10.365 20.076 -24.996 429 HA ASP 66 HA ASP 66 10.114 18.882 -22.392 430 HB2 ASP 66 HB2 ASP 66 12.482 19.279 -22.286 431 HB3 ASP 66 HB3 ASP 66 12.305 20.882 -22.991 432 H GLU 67 H GLU 67 8.775 20.101 -21.066 433 HA GLU 67 HA GLU 67 7.623 22.471 -22.361 434 HB2 GLU 67 HB2 GLU 67 6.408 20.427 -20.533 435 HB3 GLU 67 HB3 GLU 67 5.665 22.001 -20.769 436 HG2 GLU 67 HG2 GLU 67 5.621 21.516 -23.219 437 HG3 GLU 67 HG3 GLU 67 6.159 19.880 -22.838 438 H ALA 68 H ALA 68 9.809 21.835 -20.057 439 HA ALA 68 HA ALA 68 8.830 23.578 -17.997 440 HB1 ALA 68 HB1 ALA 68 11.036 23.318 -16.984 441 HB2 ALA 68 HB2 ALA 68 11.624 22.524 -18.446 442 HB3 ALA 68 HB3 ALA 68 10.380 21.751 -17.464 443 H LEU 69 H LEU 69 8.299 25.362 -19.384 444 HA LEU 69 HA LEU 69 10.509 26.839 -20.562 445 HB2 LEU 69 HB2 LEU 69 7.563 27.497 -20.455 446 HB3 LEU 69 HB3 LEU 69 8.771 28.380 -21.366 447 HG LEU 69 HG LEU 69 7.956 25.516 -21.872 448 HD11 LEU 69 HD11 LEU 69 6.187 27.085 -22.447 449 HD12 LEU 69 HD12 LEU 69 6.917 26.400 -23.899 450 HD13 LEU 69 HD13 LEU 69 7.326 28.040 -23.396 451 HD21 LEU 69 HD21 LEU 69 9.289 25.733 -23.913 452 HD22 LEU 69 HD22 LEU 69 10.283 25.949 -22.473 453 HD23 LEU 69 HD23 LEU 69 9.787 27.351 -23.419 454 H GLU 70 H GLU 70 11.631 27.342 -18.655 455 HA GLU 70 HA GLU 70 10.301 29.306 -16.903 456 HB2 GLU 70 HB2 GLU 70 12.595 27.421 -16.393 457 HB3 GLU 70 HB3 GLU 70 12.177 28.737 -15.305 458 HG2 GLU 70 HG2 GLU 70 10.385 26.453 -16.078 459 HG3 GLU 70 HG3 GLU 70 11.254 26.625 -14.551 460 H GLU 71 H GLU 71 11.940 29.463 -19.546 461 HA GLU 71 HA GLU 71 13.448 31.772 -18.727 462 HB2 GLU 71 HB2 GLU 71 14.942 29.803 -18.459 463 HB3 GLU 71 HB3 GLU 71 14.763 29.494 -20.178 464 HG2 GLU 71 HG2 GLU 71 15.812 31.581 -20.706 465 HG3 GLU 71 HG3 GLU 71 15.898 32.002 -18.994 466 H THR 72 H THR 72 12.524 33.166 -20.009 467 HA THR 72 HA THR 72 12.552 32.648 -22.894 468 HB THR 72 HB THR 72 10.247 32.565 -22.257 469 HG1 THR 72 HG1 THR 72 10.333 33.680 -24.124 470 HG21 THR 72 HG21 THR 72 9.126 34.382 -21.042 471 HG22 THR 72 HG22 THR 72 10.673 35.206 -20.855 472 HG23 THR 72 HG23 THR 72 10.402 33.649 -20.074 473 H PHE 73 H PHE 73 12.841 34.518 -24.218 474 HA PHE 73 HA PHE 73 13.892 36.435 -24.860 475 HB2 PHE 73 HB2 PHE 73 13.269 37.261 -22.014 476 HB3 PHE 73 HB3 PHE 73 14.028 38.343 -23.168 477 HD1 PHE 73 HD1 PHE 73 10.947 36.790 -22.087 478 HD2 PHE 73 HD2 PHE 73 12.771 39.097 -25.159 479 HE1 PHE 73 HE1 PHE 73 8.722 37.445 -22.909 480 HE2 PHE 73 HE2 PHE 73 10.552 39.755 -25.987 481 HZ PHE 73 HZ PHE 73 8.523 38.930 -24.863 482 HA PRO 74 HA PRO 74 18.198 35.939 -23.939 483 HB2 PRO 74 HB2 PRO 74 19.165 38.513 -23.976 484 HB3 PRO 74 HB3 PRO 74 18.814 37.579 -25.435 485 HG2 PRO 74 HG2 PRO 74 17.136 39.640 -24.057 486 HG3 PRO 74 HG3 PRO 74 17.445 39.427 -25.790 487 HD2 PRO 74 HD2 PRO 74 15.168 38.593 -24.681 488 HD3 PRO 74 HD3 PRO 74 15.957 37.651 -25.961 489 H ALA 75 H ALA 75 19.702 36.122 -22.226 490 HA ALA 75 HA ALA 75 18.659 36.455 -19.670 491 HB1 ALA 75 HB1 ALA 75 21.554 36.680 -20.481 492 HB2 ALA 75 HB2 ALA 75 20.692 35.169 -20.187 493 HB3 ALA 75 HB3 ALA 75 20.938 36.316 -18.869 494 H SER 76 H SER 76 20.302 38.722 -21.771 495 HA SER 76 HA SER 76 20.021 40.819 -19.767 496 HB2 SER 76 HB2 SER 76 22.165 40.635 -21.019 497 HB3 SER 76 HB3 SER 76 21.292 40.955 -22.516 498 HG SER 76 HG SER 76 20.981 43.006 -21.928 499 H ASP 77 H ASP 77 17.646 40.323 -20.098 500 HA ASP 77 HA ASP 77 16.426 41.461 -22.465 501 HB2 ASP 77 HB2 ASP 77 14.310 40.769 -21.439 502 HB3 ASP 77 HB3 ASP 77 15.468 39.445 -21.398 503 HA PRO 78 HA PRO 78 15.745 45.597 -20.981 504 HB2 PRO 78 HB2 PRO 78 13.083 45.929 -21.700 505 HB3 PRO 78 HB3 PRO 78 14.456 46.159 -22.787 506 HG2 PRO 78 HG2 PRO 78 12.673 43.784 -22.463 507 HG3 PRO 78 HG3 PRO 78 13.329 44.499 -23.947 508 HD2 PRO 78 HD2 PRO 78 14.381 42.282 -22.913 509 HD3 PRO 78 HD3 PRO 78 15.418 43.531 -23.634 510 H ILE 79 H ILE 79 14.419 46.844 -19.462 511 HA ILE 79 HA ILE 79 13.869 45.370 -17.113 512 HB ILE 79 HB ILE 79 13.190 48.248 -17.789 513 HG12 ILE 79 HG12 ILE 79 15.098 48.622 -16.069 514 HG13 ILE 79 HG13 ILE 79 15.517 46.946 -16.382 515 HG21 ILE 79 HG21 ILE 79 12.847 48.592 -15.397 516 HG22 ILE 79 HG22 ILE 79 13.104 46.872 -15.110 517 HG23 ILE 79 HG23 ILE 79 11.710 47.410 -16.046 518 HD11 ILE 79 HD11 ILE 79 15.872 47.470 -18.734 519 HD12 ILE 79 HD12 ILE 79 16.875 48.479 -17.693 520 HD13 ILE 79 HD13 ILE 79 15.421 49.147 -18.432 521 H SER 80 H SER 80 12.103 44.439 -16.401 522 HA SER 80 HA SER 80 9.792 44.153 -17.996 523 HB2 SER 80 HB2 SER 80 10.079 43.595 -15.043 524 HB3 SER 80 HB3 SER 80 8.938 42.842 -16.160 525 HG SER 80 HG SER 80 10.971 42.146 -17.296 526 HA PRO 81 HA PRO 81 7.605 47.804 -16.614 527 HB2 PRO 81 HB2 PRO 81 5.170 47.252 -17.605 528 HB3 PRO 81 HB3 PRO 81 6.530 47.658 -18.659 529 HG2 PRO 81 HG2 PRO 81 5.394 44.970 -17.989 530 HG3 PRO 81 HG3 PRO 81 5.914 45.602 -19.561 531 HD2 PRO 81 HD2 PRO 81 7.449 43.953 -18.017 532 HD3 PRO 81 HD3 PRO 81 8.125 45.139 -19.152 Start of MODEL 11 1 HA ASN 1 HA ASN 1 6.446 15.021 -15.559 2 HB2 ASN 1 HB2 ASN 1 7.591 17.652 -14.579 3 HB3 ASN 1 HB3 ASN 1 8.304 16.570 -15.768 4 HD21 ASN 1 HD21 ASN 1 7.484 16.545 -17.873 5 HD22 ASN 1 HD22 ASN 1 6.421 17.775 -18.448 6 H GLU 2 H GLU 2 7.026 13.335 -14.275 7 HA GLU 2 HA GLU 2 8.132 13.923 -11.643 8 HB2 GLU 2 HB2 GLU 2 7.942 11.601 -11.142 9 HB3 GLU 2 HB3 GLU 2 6.462 12.045 -11.975 10 HG2 GLU 2 HG2 GLU 2 7.226 11.021 -14.003 11 HG3 GLU 2 HG3 GLU 2 8.816 10.725 -13.307 12 H LEU 3 H LEU 3 10.211 13.300 -11.037 13 HA LEU 3 HA LEU 3 12.027 12.944 -13.287 14 HB2 LEU 3 HB2 LEU 3 12.262 14.186 -10.614 15 HB3 LEU 3 HB3 LEU 3 13.679 13.337 -11.198 16 HG LEU 3 HG LEU 3 13.723 15.773 -11.680 17 HD11 LEU 3 HD11 LEU 3 14.412 15.578 -14.005 18 HD12 LEU 3 HD12 LEU 3 13.595 14.021 -14.130 19 HD13 LEU 3 HD13 LEU 3 14.987 14.201 -13.065 20 HD21 LEU 3 HD21 LEU 3 12.268 16.726 -13.342 21 HD22 LEU 3 HD22 LEU 3 11.284 16.013 -12.060 22 HD23 LEU 3 HD23 LEU 3 11.477 15.171 -13.593 23 H ARG 4 H ARG 4 13.637 11.355 -13.187 24 HA ARG 4 HA ARG 4 12.877 9.150 -11.414 25 HB2 ARG 4 HB2 ARG 4 12.353 9.083 -14.011 26 HB3 ARG 4 HB3 ARG 4 14.034 8.574 -14.093 27 HG2 ARG 4 HG2 ARG 4 13.623 6.650 -12.803 28 HG3 ARG 4 HG3 ARG 4 12.034 7.236 -12.304 29 HD2 ARG 4 HD2 ARG 4 11.306 7.117 -14.669 30 HD3 ARG 4 HD3 ARG 4 12.868 6.408 -15.077 31 HE ARG 4 HE ARG 4 11.619 4.940 -13.005 32 HH11 ARG 4 HH11 ARG 4 11.473 5.505 -16.457 33 HH12 ARG 4 HH12 ARG 4 10.767 3.968 -16.813 34 HH21 ARG 4 HH21 ARG 4 10.667 2.918 -13.455 35 HH22 ARG 4 HH22 ARG 4 10.293 2.485 -15.089 36 H CYS 5 H CYS 5 14.558 7.739 -10.790 37 HA CYS 5 HA CYS 5 16.992 9.180 -10.349 38 HB2 CYS 5 HB2 CYS 5 15.942 7.876 -8.562 39 HB3 CYS 5 HB3 CYS 5 16.179 6.405 -9.492 40 H GLY 6 H GLY 6 19.049 8.573 -10.962 41 HA2 GLY 6 HA2 GLY 6 19.187 7.300 -13.544 42 HA3 GLY 6 HA3 GLY 6 20.514 8.055 -12.678 43 H CYS 7 H CYS 7 19.561 6.208 -10.320 44 HA CYS 7 HA CYS 7 21.374 4.082 -11.041 45 HB2 CYS 7 HB2 CYS 7 21.600 4.962 -8.808 46 HB3 CYS 7 HB3 CYS 7 19.903 4.679 -8.466 47 HA PRO 8 HA PRO 8 17.943 1.704 -12.647 48 HB2 PRO 8 HB2 PRO 8 19.449 -0.468 -13.332 49 HB3 PRO 8 HB3 PRO 8 19.358 1.002 -14.309 50 HG2 PRO 8 HG2 PRO 8 21.457 0.158 -12.348 51 HG3 PRO 8 HG3 PRO 8 21.655 0.890 -13.950 52 HD2 PRO 8 HD2 PRO 8 21.880 2.328 -11.690 53 HD3 PRO 8 HD3 PRO 8 21.188 3.020 -13.173 54 H ASP 9 H ASP 9 20.136 0.775 -10.134 55 HA ASP 9 HA ASP 9 18.549 -1.551 -9.399 56 HB2 ASP 9 HB2 ASP 9 21.221 -0.519 -8.697 57 HB3 ASP 9 HB3 ASP 9 20.355 -1.346 -7.408 58 H CYS 10 H CYS 10 18.385 1.678 -8.908 59 HA CYS 10 HA CYS 10 17.449 1.421 -6.159 60 HB2 CYS 10 HB2 CYS 10 19.102 3.120 -6.444 61 HB3 CYS 10 HB3 CYS 10 18.228 3.809 -7.809 62 H HIS 11 H HIS 11 15.343 1.853 -5.625 63 HA HIS 11 HA HIS 11 13.591 2.762 -7.797 64 HB2 HIS 11 HB2 HIS 11 13.049 0.600 -5.767 65 HB3 HIS 11 HB3 HIS 11 11.752 1.404 -6.647 66 HD2 HIS 11 HD2 HIS 11 15.048 -0.512 -7.744 67 HE1 HIS 11 HE1 HIS 11 11.908 -1.417 -10.447 68 HE2 HIS 11 HE2 HIS 11 14.331 -1.793 -9.877 69 H CYS 12 H CYS 12 13.636 4.864 -7.199 70 HA CYS 12 HA CYS 12 12.123 5.514 -4.769 71 HB2 CYS 12 HB2 CYS 12 14.801 6.532 -5.574 72 HB3 CYS 12 HB3 CYS 12 13.678 7.686 -4.872 73 H LYS 13 H LYS 13 10.880 7.396 -4.875 74 HA LYS 13 HA LYS 13 10.202 8.198 -7.576 75 HB2 LYS 13 HB2 LYS 13 8.249 9.379 -6.471 76 HB3 LYS 13 HB3 LYS 13 8.256 7.635 -6.301 77 HG2 LYS 13 HG2 LYS 13 9.432 9.279 -4.105 78 HG3 LYS 13 HG3 LYS 13 7.680 9.223 -4.274 79 HD2 LYS 13 HD2 LYS 13 7.712 6.799 -4.090 80 HD3 LYS 13 HD3 LYS 13 9.474 6.806 -4.030 81 HE2 LYS 13 HE2 LYS 13 9.380 8.080 -1.932 82 HE3 LYS 13 HE3 LYS 13 7.619 8.042 -1.998 83 HZ1 LYS 13 HZ1 LYS 13 7.649 5.678 -1.786 84 HZ2 LYS 13 HZ2 LYS 13 8.597 6.322 -0.543 85 HZ3 LYS 13 HZ3 LYS 13 9.334 5.623 -1.892 86 H VAL 14 H VAL 14 11.694 9.597 -8.254 87 HA VAL 14 HA VAL 14 12.760 11.655 -6.551 88 HB VAL 14 HB VAL 14 13.092 11.405 -9.555 89 HG11 VAL 14 HG11 VAL 14 14.749 12.797 -7.468 90 HG12 VAL 14 HG12 VAL 14 13.748 13.565 -8.704 91 HG13 VAL 14 HG13 VAL 14 15.175 12.633 -9.170 92 HG21 VAL 14 HG21 VAL 14 13.811 9.326 -8.519 93 HG22 VAL 14 HG22 VAL 14 14.803 10.226 -7.369 94 HG23 VAL 14 HG23 VAL 14 15.210 10.245 -9.085 95 H ASP 15 H ASP 15 12.145 13.742 -6.419 96 HA ASP 15 HA ASP 15 9.754 14.504 -7.905 97 HB2 ASP 15 HB2 ASP 15 10.918 15.292 -5.297 98 HB3 ASP 15 HB3 ASP 15 10.050 16.537 -6.188 99 HA PRO 16 HA PRO 16 11.935 17.251 -10.598 100 HB2 PRO 16 HB2 PRO 16 9.906 19.029 -11.079 101 HB3 PRO 16 HB3 PRO 16 9.993 17.439 -11.839 102 HG2 PRO 16 HG2 PRO 16 8.418 18.313 -9.447 103 HG3 PRO 16 HG3 PRO 16 7.911 17.292 -10.808 104 HD2 PRO 16 HD2 PRO 16 8.591 16.236 -8.444 105 HD3 PRO 16 HD3 PRO 16 8.998 15.420 -9.968 106 H GLU 17 H GLU 17 10.627 18.149 -7.594 107 HA GLU 17 HA GLU 17 11.791 20.831 -7.725 108 HB2 GLU 17 HB2 GLU 17 9.352 20.115 -6.876 109 HB3 GLU 17 HB3 GLU 17 10.224 19.905 -5.368 110 HG2 GLU 17 HG2 GLU 17 10.834 22.198 -5.303 111 HG3 GLU 17 HG3 GLU 17 10.285 22.455 -6.960 112 H ARG 18 H ARG 18 12.555 17.721 -6.790 113 HA ARG 18 HA ARG 18 14.760 18.648 -5.125 114 HB2 ARG 18 HB2 ARG 18 12.680 16.675 -4.213 115 HB3 ARG 18 HB3 ARG 18 14.312 16.641 -3.566 116 HG2 ARG 18 HG2 ARG 18 14.005 19.018 -2.882 117 HG3 ARG 18 HG3 ARG 18 12.317 18.878 -3.373 118 HD2 ARG 18 HD2 ARG 18 11.923 17.169 -1.747 119 HD3 ARG 18 HD3 ARG 18 13.641 17.075 -1.355 120 HE ARG 18 HE ARG 18 12.524 19.688 -0.964 121 HH11 ARG 18 HH11 ARG 18 12.948 16.540 0.522 122 HH12 ARG 18 HH12 ARG 18 12.901 17.151 2.138 123 HH21 ARG 18 HH21 ARG 18 12.459 20.497 1.169 124 HH22 ARG 18 HH22 ARG 18 12.611 19.416 2.507 125 H VAL 19 H VAL 19 15.165 17.927 -7.632 126 HA VAL 19 HA VAL 19 16.011 15.121 -7.560 127 HB VAL 19 HB VAL 19 14.624 15.489 -9.476 128 HG11 VAL 19 HG11 VAL 19 16.384 17.847 -10.136 129 HG12 VAL 19 HG12 VAL 19 14.705 17.908 -9.596 130 HG13 VAL 19 HG13 VAL 19 15.103 17.210 -11.166 131 HG21 VAL 19 HG21 VAL 19 16.132 15.017 -11.334 132 HG22 VAL 19 HG22 VAL 19 16.578 14.107 -9.891 133 HG23 VAL 19 HG23 VAL 19 17.505 15.534 -10.356 134 H PHE 20 H PHE 20 18.038 14.724 -7.090 135 HA PHE 20 HA PHE 20 20.056 16.743 -7.166 136 HB2 PHE 20 HB2 PHE 20 19.989 13.833 -6.454 137 HB3 PHE 20 HB3 PHE 20 21.517 14.705 -6.571 138 HD1 PHE 20 HD1 PHE 20 18.230 14.712 -4.850 139 HD2 PHE 20 HD2 PHE 20 22.279 16.017 -4.799 140 HE1 PHE 20 HE1 PHE 20 17.933 15.535 -2.551 141 HE2 PHE 20 HE2 PHE 20 21.989 16.838 -2.500 142 HZ PHE 20 HZ PHE 20 19.817 16.596 -1.374 143 H ASN 21 H ASN 21 20.861 17.368 -9.044 144 HA ASN 21 HA ASN 21 21.073 15.473 -11.244 145 HB2 ASN 21 HB2 ASN 21 21.592 18.449 -11.151 146 HB3 ASN 21 HB3 ASN 21 21.764 17.454 -12.584 147 HD21 ASN 21 HD21 ASN 21 19.462 15.799 -11.979 148 HD22 ASN 21 HD22 ASN 21 18.072 16.774 -12.301 149 H HIS 22 H HIS 22 22.866 14.642 -11.980 150 HA HIS 22 HA HIS 22 25.431 15.771 -11.145 151 HB2 HIS 22 HB2 HIS 22 24.961 13.875 -9.657 152 HB3 HIS 22 HB3 HIS 22 24.728 12.830 -11.047 153 HD2 HIS 22 HD2 HIS 22 27.633 14.442 -9.022 154 HE1 HIS 22 HE1 HIS 22 29.319 11.812 -11.880 155 HE2 HIS 22 HE2 HIS 22 29.739 13.180 -9.813 156 H ASP 23 H ASP 23 26.581 16.183 -12.880 157 HA ASP 23 HA ASP 23 27.375 16.175 -15.009 158 HB2 ASP 23 HB2 ASP 23 28.035 13.839 -14.223 159 HB3 ASP 23 HB3 ASP 23 26.625 13.242 -15.089 160 H GLY 24 H GLY 24 24.474 16.546 -14.415 161 HA2 GLY 24 HA2 GLY 24 22.776 17.336 -15.805 162 HA3 GLY 24 HA3 GLY 24 23.573 16.582 -17.175 163 H GLU 25 H GLU 25 23.287 14.423 -14.597 164 HA GLU 25 HA GLU 25 20.954 13.172 -15.866 165 HB2 GLU 25 HB2 GLU 25 23.402 12.074 -15.396 166 HB3 GLU 25 HB3 GLU 25 22.569 11.654 -13.904 167 HG2 GLU 25 HG2 GLU 25 20.941 10.398 -15.032 168 HG3 GLU 25 HG3 GLU 25 21.398 11.064 -16.598 169 H ALA 26 H ALA 26 19.385 12.157 -14.432 170 HA ALA 26 HA ALA 26 18.975 13.789 -12.039 171 HB1 ALA 26 HB1 ALA 26 17.095 11.973 -13.540 172 HB2 ALA 26 HB2 ALA 26 17.147 13.735 -13.629 173 HB3 ALA 26 HB3 ALA 26 16.668 12.938 -12.127 174 H TYR 27 H TYR 27 18.774 12.975 -10.023 175 HA TYR 27 HA TYR 27 18.832 10.091 -9.602 176 HB2 TYR 27 HB2 TYR 27 20.918 12.011 -8.546 177 HB3 TYR 27 HB3 TYR 27 20.686 10.384 -7.907 178 HD1 TYR 27 HD1 TYR 27 22.216 12.412 -10.450 179 HD2 TYR 27 HD2 TYR 27 21.060 8.435 -9.475 180 HE1 TYR 27 HE1 TYR 27 23.742 11.549 -12.176 181 HE2 TYR 27 HE2 TYR 27 22.582 7.560 -11.183 182 HH TYR 27 HH TYR 27 23.575 8.820 -13.545 183 H CYS 28 H CYS 28 18.298 9.529 -7.326 184 HA CYS 28 HA CYS 28 16.262 11.295 -6.356 185 HB2 CYS 28 HB2 CYS 28 15.776 9.602 -4.711 186 HB3 CYS 28 HB3 CYS 28 16.079 8.801 -6.246 187 H SER 29 H SER 29 19.580 10.700 -5.583 188 HA SER 29 HA SER 29 19.625 12.939 -3.810 189 HB2 SER 29 HB2 SER 29 18.784 11.220 -2.274 190 HB3 SER 29 HB3 SER 29 20.133 10.172 -2.683 191 HG SER 29 HG SER 29 20.026 12.334 -1.003 192 H GLN 30 H GLN 30 21.774 13.407 -3.031 193 HA GLN 30 HA GLN 30 23.865 13.406 -4.799 194 HB2 GLN 30 HB2 GLN 30 23.443 14.131 -2.093 195 HB3 GLN 30 HB3 GLN 30 24.900 13.158 -2.107 196 HG2 GLN 30 HG2 GLN 30 24.480 15.583 -3.849 197 HG3 GLN 30 HG3 GLN 30 25.255 15.625 -2.271 198 HE21 GLN 30 HE21 GLN 30 27.269 14.575 -2.020 199 HE22 GLN 30 HE22 GLN 30 28.292 14.249 -3.376 200 H ALA 31 H ALA 31 23.018 10.953 -2.426 201 HA ALA 31 HA ALA 31 25.257 9.333 -2.389 202 HB1 ALA 31 HB1 ALA 31 23.311 9.090 -0.889 203 HB2 ALA 31 HB2 ALA 31 23.779 7.557 -1.628 204 HB3 ALA 31 HB3 ALA 31 22.381 8.441 -2.237 205 H CYS 32 H CYS 32 22.383 8.869 -4.494 206 HA CYS 32 HA CYS 32 23.715 6.899 -6.081 207 HB2 CYS 32 HB2 CYS 32 21.074 8.292 -6.245 208 HB3 CYS 32 HB3 CYS 32 21.666 7.363 -7.613 209 H ALA 33 H ALA 33 23.386 10.318 -6.151 210 HA ALA 33 HA ALA 33 23.748 10.860 -8.846 211 HB1 ALA 33 HB1 ALA 33 23.167 12.592 -7.264 212 HB2 ALA 33 HB2 ALA 33 24.670 13.032 -8.072 213 HB3 ALA 33 HB3 ALA 33 24.707 12.396 -6.433 214 H GLU 34 H GLU 34 26.124 10.262 -6.293 215 HA GLU 34 HA GLU 34 28.302 10.470 -8.170 216 HB2 GLU 34 HB2 GLU 34 28.303 9.704 -5.265 217 HB3 GLU 34 HB3 GLU 34 29.729 10.026 -6.246 218 HG2 GLU 34 HG2 GLU 34 28.527 12.295 -6.679 219 HG3 GLU 34 HG3 GLU 34 27.684 11.890 -5.191 220 H GLN 35 H GLN 35 26.121 8.201 -7.945 221 HA GLN 35 HA GLN 35 25.982 5.997 -8.449 222 HB2 GLN 35 HB2 GLN 35 28.752 6.461 -9.548 223 HB3 GLN 35 HB3 GLN 35 27.655 5.158 -9.998 224 HG2 GLN 35 HG2 GLN 35 26.130 6.675 -11.003 225 HG3 GLN 35 HG3 GLN 35 26.982 8.060 -10.340 226 HE21 GLN 35 HE21 GLN 35 28.849 8.768 -11.283 227 HE22 GLN 35 HE22 GLN 35 29.360 8.241 -12.848 228 H HIS 36 H HIS 36 26.787 6.565 -5.843 229 HA HIS 36 HA HIS 36 27.590 5.613 -3.946 230 HB2 HIS 36 HB2 HIS 36 27.739 3.071 -5.556 231 HB3 HIS 36 HB3 HIS 36 27.632 3.202 -3.802 232 HD1 HIS 36 HD1 HIS 36 25.277 4.142 -2.881 233 HD2 HIS 36 HD2 HIS 36 25.394 3.018 -6.879 234 HE1 HIS 36 HE1 HIS 36 22.880 3.903 -3.591 235 HA PRO 37 HA PRO 37 31.926 5.994 -5.433 236 HB2 PRO 37 HB2 PRO 37 32.659 7.669 -3.384 237 HB3 PRO 37 HB3 PRO 37 32.013 8.220 -4.933 238 HG2 PRO 37 HG2 PRO 37 30.624 7.888 -2.310 239 HG3 PRO 37 HG3 PRO 37 30.434 9.162 -3.527 240 HD2 PRO 37 HD2 PRO 37 28.672 7.130 -3.248 241 HD3 PRO 37 HD3 PRO 37 29.008 7.885 -4.817 242 H ASN 38 H ASN 38 30.896 5.785 -2.042 243 HA ASN 38 HA ASN 38 33.169 3.993 -1.491 244 HB2 ASN 38 HB2 ASN 38 31.365 5.440 0.468 245 HB3 ASN 38 HB3 ASN 38 32.798 4.508 0.874 246 HD21 ASN 38 HD21 ASN 38 34.414 5.509 -1.306 247 HD22 ASN 38 HD22 ASN 38 34.783 7.155 -0.930 248 H GLY 39 H GLY 39 30.309 3.517 -2.651 249 HA2 GLY 39 HA2 GLY 39 28.986 1.592 -2.642 250 HA3 GLY 39 HA3 GLY 39 29.825 1.055 -1.190 251 H GLU 40 H GLU 40 29.060 4.123 -0.621 252 HA GLU 40 HA GLU 40 27.114 3.661 1.341 253 HB2 GLU 40 HB2 GLU 40 28.818 5.560 1.120 254 HB3 GLU 40 HB3 GLU 40 27.729 6.286 -0.045 255 HG2 GLU 40 HG2 GLU 40 26.082 6.677 1.615 256 HG3 GLU 40 HG3 GLU 40 26.927 5.665 2.785 257 HA PRO 41 HA PRO 41 23.631 3.363 -1.567 258 HB2 PRO 41 HB2 PRO 41 21.738 2.693 0.229 259 HB3 PRO 41 HB3 PRO 41 22.969 1.546 -0.312 260 HG2 PRO 41 HG2 PRO 41 22.886 3.186 2.195 261 HG3 PRO 41 HG3 PRO 41 23.300 1.473 1.995 262 HD2 PRO 41 HD2 PRO 41 25.172 3.416 2.247 263 HD3 PRO 41 HD3 PRO 41 25.440 1.946 1.288 264 H CYS 42 H CYS 42 21.279 4.239 -1.591 265 HA CYS 42 HA CYS 42 21.419 7.057 -1.149 266 HB2 CYS 42 HB2 CYS 42 19.330 7.197 -2.314 267 HB3 CYS 42 HB3 CYS 42 20.241 5.921 -3.097 268 HA PRO 43 HA PRO 43 19.746 7.712 2.821 269 HB2 PRO 43 HB2 PRO 43 17.847 9.656 2.394 270 HB3 PRO 43 HB3 PRO 43 19.600 9.929 2.403 271 HG2 PRO 43 HG2 PRO 43 17.792 9.444 0.068 272 HG3 PRO 43 HG3 PRO 43 19.006 10.721 0.293 273 HD2 PRO 43 HD2 PRO 43 19.608 8.607 -1.141 274 HD3 PRO 43 HD3 PRO 43 20.789 9.231 0.029 275 H ALA 44 H ALA 44 17.585 6.364 0.500 276 HA ALA 44 HA ALA 44 15.256 6.235 2.168 277 HB1 ALA 44 HB1 ALA 44 15.084 6.025 -0.264 278 HB2 ALA 44 HB2 ALA 44 14.443 4.588 0.533 279 HB3 ALA 44 HB3 ALA 44 16.042 4.546 -0.211 280 HA PRO 45 HA PRO 45 16.874 3.091 4.807 281 HB2 PRO 45 HB2 PRO 45 14.685 2.528 6.270 282 HB3 PRO 45 HB3 PRO 45 15.547 4.063 6.431 283 HG2 PRO 45 HG2 PRO 45 13.023 3.452 4.950 284 HG3 PRO 45 HG3 PRO 45 13.431 4.870 5.933 285 HD2 PRO 45 HD2 PRO 45 13.545 4.809 3.177 286 HD3 PRO 45 HD3 PRO 45 14.495 5.915 4.188 287 H ASP 46 H ASP 46 13.979 2.496 2.953 288 HA ASP 46 HA ASP 46 14.078 -0.365 3.398 289 HB2 ASP 46 HB2 ASP 46 11.902 0.672 3.224 290 HB3 ASP 46 HB3 ASP 46 12.312 1.377 1.666 291 H CYS 47 H CYS 47 15.431 1.863 1.240 292 HA CYS 47 HA CYS 47 15.757 -0.059 -0.913 293 HB2 CYS 47 HB2 CYS 47 15.264 2.469 -1.163 294 HB3 CYS 47 HB3 CYS 47 16.970 2.682 -0.779 295 H HIS 48 H HIS 48 17.684 -1.072 -1.385 296 HA HIS 48 HA HIS 48 19.994 -0.414 0.315 297 HB2 HIS 48 HB2 HIS 48 18.830 -3.167 -0.122 298 HB3 HIS 48 HB3 HIS 48 20.441 -2.892 0.525 299 HD1 HIS 48 HD1 HIS 48 20.624 -2.281 2.982 300 HD2 HIS 48 HD2 HIS 48 16.706 -2.319 1.597 301 HE1 HIS 48 HE1 HIS 48 19.169 -2.053 5.026 302 HE2 HIS 48 HE2 HIS 48 16.822 -2.266 4.179 303 H CYS 49 H CYS 49 19.777 0.468 -2.259 304 HA CYS 49 HA CYS 49 21.159 -1.339 -4.015 305 HB2 CYS 49 HB2 CYS 49 21.141 0.599 -5.570 306 HB3 CYS 49 HB3 CYS 49 19.544 0.208 -4.948 307 H GLU 50 H GLU 50 23.337 -1.492 -4.178 308 HA GLU 50 HA GLU 50 25.059 0.706 -3.666 309 HB2 GLU 50 HB2 GLU 50 26.249 -0.392 -1.701 310 HB3 GLU 50 HB3 GLU 50 24.702 0.378 -1.377 311 HG2 GLU 50 HG2 GLU 50 23.630 -1.861 -1.504 312 HG3 GLU 50 HG3 GLU 50 25.235 -2.573 -1.655 313 H ARG 51 H ARG 51 24.712 -2.757 -4.215 314 HA ARG 51 HA ARG 51 27.450 -2.757 -5.277 315 HB2 ARG 51 HB2 ARG 51 25.784 -5.094 -4.348 316 HB3 ARG 51 HB3 ARG 51 27.402 -5.220 -5.025 317 HG2 ARG 51 HG2 ARG 51 26.725 -3.688 -2.523 318 HG3 ARG 51 HG3 ARG 51 27.332 -5.342 -2.548 319 HD2 ARG 51 HD2 ARG 51 29.405 -4.666 -3.460 320 HD3 ARG 51 HD3 ARG 51 28.796 -3.059 -3.851 321 HE ARG 51 HE ARG 51 28.647 -3.568 -1.066 322 HH11 ARG 51 HH11 ARG 51 30.934 -2.812 -3.607 323 HH12 ARG 51 HH12 ARG 51 31.994 -1.915 -2.578 324 HH21 ARG 51 HH21 ARG 51 30.049 -2.389 0.318 325 HH22 ARG 51 HH22 ARG 51 31.487 -1.682 -0.321 326 H SER 52 H SER 52 24.334 -2.692 -6.242 327 HA SER 52 HA SER 52 23.264 -2.817 -8.235 328 HB2 SER 52 HB2 SER 52 25.318 -1.638 -9.065 329 HB3 SER 52 HB3 SER 52 25.989 -3.209 -9.499 330 HG SER 52 HG SER 52 23.424 -2.592 -10.437 331 H GLY 53 H GLY 53 22.088 -4.382 -9.158 332 HA2 GLY 53 HA2 GLY 53 23.296 -6.982 -9.691 333 HA3 GLY 53 HA3 GLY 53 22.035 -6.945 -8.469 334 H LYS 54 H LYS 54 20.275 -5.099 -9.599 335 HA LYS 54 HA LYS 54 19.297 -6.682 -11.847 336 HB2 LYS 54 HB2 LYS 54 18.068 -5.783 -9.526 337 HB3 LYS 54 HB3 LYS 54 17.491 -4.678 -10.764 338 HG2 LYS 54 HG2 LYS 54 15.933 -6.430 -10.622 339 HG3 LYS 54 HG3 LYS 54 16.851 -6.677 -12.110 340 HD2 LYS 54 HD2 LYS 54 18.235 -8.354 -10.978 341 HD3 LYS 54 HD3 LYS 54 17.326 -8.102 -9.487 342 HE2 LYS 54 HE2 LYS 54 16.213 -9.120 -12.097 343 HE3 LYS 54 HE3 LYS 54 16.566 -10.098 -10.674 344 HZ1 LYS 54 HZ1 LYS 54 14.549 -7.926 -10.848 345 HZ2 LYS 54 HZ2 LYS 54 14.913 -8.799 -9.450 346 HZ3 LYS 54 HZ3 LYS 54 14.232 -9.585 -10.780 347 H VAL 55 H VAL 55 20.557 -5.721 -13.453 348 HA VAL 55 HA VAL 55 20.024 -2.866 -13.983 349 HB VAL 55 HB VAL 55 22.333 -4.466 -15.106 350 HG11 VAL 55 HG11 VAL 55 21.876 -1.497 -14.852 351 HG12 VAL 55 HG12 VAL 55 21.789 -2.445 -16.336 352 HG13 VAL 55 HG13 VAL 55 23.329 -2.260 -15.496 353 HG21 VAL 55 HG21 VAL 55 22.527 -4.486 -12.680 354 HG22 VAL 55 HG22 VAL 55 22.335 -2.734 -12.637 355 HG23 VAL 55 HG23 VAL 55 23.759 -3.447 -13.394 356 H GLY 56 H GLY 56 19.626 -2.249 -16.194 357 HA2 GLY 56 HA2 GLY 56 19.424 -4.169 -18.280 358 HA3 GLY 56 HA3 GLY 56 17.847 -3.829 -17.589 359 H GLY 57 H GLY 57 18.274 -3.284 -20.204 360 HA2 GLY 57 HA2 GLY 57 17.450 -1.464 -21.457 361 HA3 GLY 57 HA3 GLY 57 18.013 -0.371 -20.202 362 H ARG 58 H ARG 58 18.553 0.401 -22.643 363 HA ARG 58 HA ARG 58 21.308 -0.429 -23.248 364 HB2 ARG 58 HB2 ARG 58 19.579 -0.395 -25.089 365 HB3 ARG 58 HB3 ARG 58 19.481 1.347 -24.890 366 HG2 ARG 58 HG2 ARG 58 20.911 1.120 -26.696 367 HG3 ARG 58 HG3 ARG 58 22.032 1.303 -25.348 368 HD2 ARG 58 HD2 ARG 58 22.311 -1.147 -25.264 369 HD3 ARG 58 HD3 ARG 58 21.202 -1.312 -26.622 370 HE ARG 58 HE ARG 58 23.601 0.315 -26.983 371 HH11 ARG 58 HH11 ARG 58 21.880 -2.670 -27.659 372 HH12 ARG 58 HH12 ARG 58 22.901 -3.112 -28.981 373 HH21 ARG 58 HH21 ARG 58 24.960 -0.284 -28.747 374 HH22 ARG 58 HH22 ARG 58 24.661 -1.765 -29.591 375 H ASP 59 H ASP 59 19.298 2.467 -22.726 376 HA ASP 59 HA ASP 59 21.452 3.820 -21.362 377 HB2 ASP 59 HB2 ASP 59 21.459 5.785 -22.805 378 HB3 ASP 59 HB3 ASP 59 21.978 4.364 -23.720 379 H ILE 60 H ILE 60 20.714 6.027 -20.641 380 HA ILE 60 HA ILE 60 17.794 6.125 -20.316 381 HB ILE 60 HB ILE 60 19.816 7.131 -18.297 382 HG12 ILE 60 HG12 ILE 60 18.204 4.567 -18.259 383 HG13 ILE 60 HG13 ILE 60 19.943 4.682 -18.464 384 HG21 ILE 60 HG21 ILE 60 17.867 7.267 -16.805 385 HG22 ILE 60 HG22 ILE 60 16.827 6.726 -18.122 386 HG23 ILE 60 HG23 ILE 60 17.662 8.274 -18.239 387 HD11 ILE 60 HD11 ILE 60 18.409 5.493 -16.004 388 HD12 ILE 60 HD12 ILE 60 20.158 5.596 -16.213 389 HD13 ILE 60 HD13 ILE 60 19.362 4.022 -16.200 390 H THR 61 H THR 61 17.556 7.530 -22.080 391 HA THR 61 HA THR 61 19.049 9.859 -22.531 392 HB THR 61 HB THR 61 16.139 9.525 -23.275 393 HG1 THR 61 HG1 THR 61 18.490 8.338 -24.346 394 HG21 THR 61 HG21 THR 61 17.154 11.718 -23.742 395 HG22 THR 61 HG22 THR 61 16.795 10.847 -25.234 396 HG23 THR 61 HG23 THR 61 18.452 10.923 -24.634 397 H ASN 62 H ASN 62 15.994 9.381 -20.778 398 HA ASN 62 HA ASN 62 14.903 10.579 -19.198 399 HB2 ASN 62 HB2 ASN 62 17.053 10.543 -18.001 400 HB3 ASN 62 HB3 ASN 62 17.552 12.003 -18.844 401 HD21 ASN 62 HD21 ASN 62 14.352 11.299 -17.502 402 HD22 ASN 62 HD22 ASN 62 14.387 12.567 -16.332 403 H ASN 63 H ASN 63 13.382 11.613 -20.411 404 HA ASN 63 HA ASN 63 14.034 14.366 -21.243 405 HB2 ASN 63 HB2 ASN 63 12.234 12.340 -22.560 406 HB3 ASN 63 HB3 ASN 63 12.087 14.061 -22.887 407 HD21 ASN 63 HD21 ASN 63 14.973 14.531 -22.689 408 HD22 ASN 63 HD22 ASN 63 15.651 13.885 -24.137 409 H GLN 64 H GLN 64 13.194 15.765 -19.899 410 HA GLN 64 HA GLN 64 10.924 15.193 -18.240 411 HB2 GLN 64 HB2 GLN 64 12.297 17.834 -18.788 412 HB3 GLN 64 HB3 GLN 64 11.144 17.529 -17.500 413 HG2 GLN 64 HG2 GLN 64 12.707 15.912 -16.514 414 HG3 GLN 64 HG3 GLN 64 13.870 16.288 -17.785 415 HE21 GLN 64 HE21 GLN 64 14.927 18.279 -17.763 416 HE22 GLN 64 HE22 GLN 64 14.922 19.299 -16.369 417 H LEU 65 H LEU 65 11.524 16.914 -21.194 418 HA LEU 65 HA LEU 65 8.645 17.286 -21.567 419 HB2 LEU 65 HB2 LEU 65 9.100 19.373 -22.801 420 HB3 LEU 65 HB3 LEU 65 9.556 19.481 -21.115 421 HG LEU 65 HG LEU 65 11.596 18.912 -23.262 422 HD11 LEU 65 HD11 LEU 65 10.464 20.974 -23.871 423 HD12 LEU 65 HD12 LEU 65 12.089 21.312 -23.275 424 HD13 LEU 65 HD13 LEU 65 10.690 21.598 -22.238 425 HD21 LEU 65 HD21 LEU 65 12.255 18.478 -20.946 426 HD22 LEU 65 HD22 LEU 65 11.786 20.117 -20.499 427 HD23 LEU 65 HD23 LEU 65 13.137 19.857 -21.605 428 H ASP 66 H ASP 66 8.136 17.556 -23.987 429 HA ASP 66 HA ASP 66 10.063 16.131 -25.640 430 HB2 ASP 66 HB2 ASP 66 8.782 14.332 -24.641 431 HB3 ASP 66 HB3 ASP 66 7.276 15.091 -25.136 432 H GLU 67 H GLU 67 10.225 18.044 -26.799 433 HA GLU 67 HA GLU 67 9.932 19.285 -28.658 434 HB2 GLU 67 HB2 GLU 67 9.418 17.100 -29.684 435 HB3 GLU 67 HB3 GLU 67 7.716 17.351 -29.333 436 HG2 GLU 67 HG2 GLU 67 7.689 19.293 -30.805 437 HG3 GLU 67 HG3 GLU 67 9.405 19.071 -31.140 438 H ALA 68 H ALA 68 6.587 18.423 -27.774 439 HA ALA 68 HA ALA 68 5.413 20.783 -28.690 440 HB1 ALA 68 HB1 ALA 68 3.438 20.105 -27.470 441 HB2 ALA 68 HB2 ALA 68 4.389 18.963 -26.522 442 HB3 ALA 68 HB3 ALA 68 4.179 18.710 -28.253 443 H LEU 69 H LEU 69 5.794 22.756 -28.034 444 HA LEU 69 HA LEU 69 5.823 23.316 -25.147 445 HB2 LEU 69 HB2 LEU 69 7.352 24.705 -27.351 446 HB3 LEU 69 HB3 LEU 69 7.212 25.324 -25.720 447 HG LEU 69 HG LEU 69 8.561 22.743 -26.514 448 HD11 LEU 69 HD11 LEU 69 9.818 24.711 -27.191 449 HD12 LEU 69 HD12 LEU 69 10.613 23.892 -25.845 450 HD13 LEU 69 HD13 LEU 69 9.691 25.368 -25.560 451 HD21 LEU 69 HD21 LEU 69 7.567 22.539 -24.315 452 HD22 LEU 69 HD22 LEU 69 8.266 24.082 -23.827 453 HD23 LEU 69 HD23 LEU 69 9.317 22.707 -24.162 454 H GLU 70 H GLU 70 4.251 24.633 -24.491 455 HA GLU 70 HA GLU 70 2.835 26.218 -26.528 456 HB2 GLU 70 HB2 GLU 70 1.575 24.762 -24.213 457 HB3 GLU 70 HB3 GLU 70 0.740 25.700 -25.443 458 HG2 GLU 70 HG2 GLU 70 1.344 24.124 -27.133 459 HG3 GLU 70 HG3 GLU 70 2.349 23.232 -25.992 460 H GLU 71 H GLU 71 4.448 27.769 -25.605 461 HA GLU 71 HA GLU 71 3.113 29.231 -23.488 462 HB2 GLU 71 HB2 GLU 71 4.900 27.696 -22.528 463 HB3 GLU 71 HB3 GLU 71 6.069 28.725 -23.338 464 HG2 GLU 71 HG2 GLU 71 5.483 30.586 -22.016 465 HG3 GLU 71 HG3 GLU 71 4.050 29.769 -21.385 466 H THR 72 H THR 72 2.684 30.211 -25.665 467 HA THR 72 HA THR 72 4.535 32.424 -26.042 468 HB THR 72 HB THR 72 3.974 32.170 -28.571 469 HG1 THR 72 HG1 THR 72 4.079 29.424 -28.139 470 HG21 THR 72 HG21 THR 72 5.982 30.791 -28.899 471 HG22 THR 72 HG22 THR 72 5.939 30.337 -27.195 472 HG23 THR 72 HG23 THR 72 6.230 32.014 -27.654 473 H PHE 73 H PHE 73 3.458 34.265 -25.950 474 HA PHE 73 HA PHE 73 0.824 34.576 -27.070 475 HB2 PHE 73 HB2 PHE 73 -0.160 35.361 -24.872 476 HB3 PHE 73 HB3 PHE 73 0.144 33.633 -24.956 477 HD1 PHE 73 HD1 PHE 73 1.027 36.768 -23.338 478 HD2 PHE 73 HD2 PHE 73 1.976 32.632 -23.658 479 HE1 PHE 73 HE1 PHE 73 2.324 36.907 -21.253 480 HE2 PHE 73 HE2 PHE 73 3.274 32.765 -21.574 481 HZ PHE 73 HZ PHE 73 3.449 34.904 -20.369 482 HA PRO 74 HA PRO 74 2.291 38.762 -27.414 483 HB2 PRO 74 HB2 PRO 74 0.035 40.249 -27.117 484 HB3 PRO 74 HB3 PRO 74 0.371 39.307 -28.573 485 HG2 PRO 74 HG2 PRO 74 -1.377 38.627 -26.239 486 HG3 PRO 74 HG3 PRO 74 -1.692 38.414 -27.971 487 HD2 PRO 74 HD2 PRO 74 -0.900 36.381 -26.385 488 HD3 PRO 74 HD3 PRO 74 -0.424 36.490 -28.091 489 H ALA 75 H ALA 75 2.212 40.961 -26.248 490 HA ALA 75 HA ALA 75 2.952 40.630 -23.559 491 HB1 ALA 75 HB1 ALA 75 2.164 43.161 -25.001 492 HB2 ALA 75 HB2 ALA 75 3.786 42.474 -24.922 493 HB3 ALA 75 HB3 ALA 75 3.013 43.080 -23.458 494 H SER 76 H SER 76 -0.005 41.784 -25.069 495 HA SER 76 HA SER 76 -1.377 41.383 -22.508 496 HB2 SER 76 HB2 SER 76 -2.018 43.505 -24.572 497 HB3 SER 76 HB3 SER 76 -2.846 43.257 -23.033 498 HG SER 76 HG SER 76 -0.148 43.513 -22.753 499 H ASP 77 H ASP 77 -2.768 39.764 -22.673 500 HA ASP 77 HA ASP 77 -3.612 38.834 -25.276 501 HB2 ASP 77 HB2 ASP 77 -4.550 36.924 -24.115 502 HB3 ASP 77 HB3 ASP 77 -2.927 37.221 -23.510 503 HA PRO 78 HA PRO 78 -7.459 40.995 -25.447 504 HB2 PRO 78 HB2 PRO 78 -8.571 38.514 -26.631 505 HB3 PRO 78 HB3 PRO 78 -8.524 40.151 -27.291 506 HG2 PRO 78 HG2 PRO 78 -6.914 38.249 -28.239 507 HG3 PRO 78 HG3 PRO 78 -6.351 39.922 -28.060 508 HD2 PRO 78 HD2 PRO 78 -5.806 37.542 -26.335 509 HD3 PRO 78 HD3 PRO 78 -4.719 38.857 -26.831 510 H ILE 79 H ILE 79 -9.258 41.214 -24.241 511 HA ILE 79 HA ILE 79 -9.686 39.378 -22.062 512 HB ILE 79 HB ILE 79 -11.325 41.811 -22.823 513 HG12 ILE 79 HG12 ILE 79 -8.979 42.448 -22.471 514 HG13 ILE 79 HG13 ILE 79 -9.993 43.053 -21.168 515 HG21 ILE 79 HG21 ILE 79 -12.484 40.320 -21.302 516 HG22 ILE 79 HG22 ILE 79 -12.010 41.795 -20.462 517 HG23 ILE 79 HG23 ILE 79 -11.095 40.310 -20.216 518 HD11 ILE 79 HD11 ILE 79 -9.235 41.197 -19.750 519 HD12 ILE 79 HD12 ILE 79 -7.905 42.216 -20.300 520 HD13 ILE 79 HD13 ILE 79 -8.187 40.650 -21.060 521 H SER 80 H SER 80 -10.999 37.699 -22.112 522 HA SER 80 HA SER 80 -12.717 37.264 -24.364 523 HB2 SER 80 HB2 SER 80 -13.173 35.095 -23.117 524 HB3 SER 80 HB3 SER 80 -11.498 35.388 -23.590 525 HG SER 80 HG SER 80 -11.276 34.856 -21.517 526 HA PRO 81 HA PRO 81 -16.344 39.029 -22.506 527 HB2 PRO 81 HB2 PRO 81 -18.230 37.724 -24.013 528 HB3 PRO 81 HB3 PRO 81 -17.323 39.131 -24.574 529 HG2 PRO 81 HG2 PRO 81 -16.860 36.232 -25.127 530 HG3 PRO 81 HG3 PRO 81 -16.733 37.616 -26.226 531 HD2 PRO 81 HD2 PRO 81 -14.570 36.438 -25.129 532 HD3 PRO 81 HD3 PRO 81 -14.627 38.179 -25.472 Start of MODEL 12 1 HA ASN 1 HA ASN 1 0.804 5.906 -8.901 2 HB2 ASN 1 HB2 ASN 1 -0.521 7.551 -10.058 3 HB3 ASN 1 HB3 ASN 1 0.051 8.834 -8.998 4 HD21 ASN 1 HD21 ASN 1 1.981 9.812 -9.419 5 HD22 ASN 1 HD22 ASN 1 2.935 9.481 -10.823 6 H GLU 2 H GLU 2 2.734 5.405 -8.142 7 HA GLU 2 HA GLU 2 4.197 7.355 -6.537 8 HB2 GLU 2 HB2 GLU 2 4.704 4.437 -7.070 9 HB3 GLU 2 HB3 GLU 2 5.776 5.470 -6.139 10 HG2 GLU 2 HG2 GLU 2 3.926 5.890 -4.567 11 HG3 GLU 2 HG3 GLU 2 2.948 4.733 -5.475 12 H LEU 3 H LEU 3 6.490 7.587 -6.941 13 HA LEU 3 HA LEU 3 7.046 7.565 -9.805 14 HB2 LEU 3 HB2 LEU 3 7.850 9.379 -7.585 15 HB3 LEU 3 HB3 LEU 3 8.983 9.145 -8.900 16 HG LEU 3 HG LEU 3 7.582 11.169 -9.171 17 HD11 LEU 3 HD11 LEU 3 6.961 10.783 -11.494 18 HD12 LEU 3 HD12 LEU 3 7.097 9.042 -11.250 19 HD13 LEU 3 HD13 LEU 3 8.528 10.064 -11.125 20 HD21 LEU 3 HD21 LEU 3 5.234 10.988 -9.696 21 HD22 LEU 3 HD22 LEU 3 5.538 10.249 -8.119 22 HD23 LEU 3 HD23 LEU 3 5.308 9.234 -9.539 23 H ARG 4 H ARG 4 9.055 6.904 -10.495 24 HA ARG 4 HA ARG 4 10.225 4.844 -8.735 25 HB2 ARG 4 HB2 ARG 4 9.368 4.757 -11.451 26 HB3 ARG 4 HB3 ARG 4 11.113 4.578 -11.455 27 HG2 ARG 4 HG2 ARG 4 9.181 2.855 -9.896 28 HG3 ARG 4 HG3 ARG 4 9.958 2.413 -11.414 29 HD2 ARG 4 HD2 ARG 4 12.166 2.719 -10.261 30 HD3 ARG 4 HD3 ARG 4 11.280 2.919 -8.754 31 HE ARG 4 HE ARG 4 10.358 0.559 -9.624 32 HH11 ARG 4 HH11 ARG 4 13.620 1.810 -9.277 33 HH12 ARG 4 HH12 ARG 4 14.338 0.262 -9.022 34 HH21 ARG 4 HH21 ARG 4 11.306 -1.505 -9.280 35 HH22 ARG 4 HH22 ARG 4 13.010 -1.642 -9.037 36 H CYS 5 H CYS 5 12.369 4.873 -8.269 37 HA CYS 5 HA CYS 5 13.744 7.319 -8.699 38 HB2 CYS 5 HB2 CYS 5 14.033 6.041 -6.638 39 HB3 CYS 5 HB3 CYS 5 14.730 4.709 -7.540 40 H GLY 6 H GLY 6 15.500 7.758 -9.965 41 HA2 GLY 6 HA2 GLY 6 15.610 6.344 -12.434 42 HA3 GLY 6 HA3 GLY 6 16.575 7.740 -11.988 43 H CYS 7 H CYS 7 17.355 6.050 -9.500 44 HA CYS 7 HA CYS 7 19.632 4.849 -10.809 45 HB2 CYS 7 HB2 CYS 7 20.127 6.128 -8.832 46 HB3 CYS 7 HB3 CYS 7 18.952 5.225 -7.888 47 HA PRO 8 HA PRO 8 17.403 0.972 -10.835 48 HB2 PRO 8 HB2 PRO 8 19.318 -0.430 -12.159 49 HB3 PRO 8 HB3 PRO 8 18.190 0.664 -12.967 50 HG2 PRO 8 HG2 PRO 8 21.032 1.128 -12.162 51 HG3 PRO 8 HG3 PRO 8 20.199 1.608 -13.651 52 HD2 PRO 8 HD2 PRO 8 20.670 3.321 -11.596 53 HD3 PRO 8 HD3 PRO 8 19.269 3.473 -12.674 54 H ASP 9 H ASP 9 20.542 1.635 -9.586 55 HA ASP 9 HA ASP 9 20.914 -0.949 -8.339 56 HB2 ASP 9 HB2 ASP 9 22.759 0.589 -9.242 57 HB3 ASP 9 HB3 ASP 9 22.483 1.578 -7.814 58 H CYS 10 H CYS 10 19.327 1.944 -7.674 59 HA CYS 10 HA CYS 10 19.409 1.589 -4.779 60 HB2 CYS 10 HB2 CYS 10 19.851 3.823 -5.411 61 HB3 CYS 10 HB3 CYS 10 18.522 3.833 -6.565 62 H HIS 11 H HIS 11 17.592 1.138 -3.594 63 HA HIS 11 HA HIS 11 15.107 0.839 -5.111 64 HB2 HIS 11 HB2 HIS 11 16.271 -1.021 -3.070 65 HB3 HIS 11 HB3 HIS 11 14.529 -0.954 -3.322 66 HD2 HIS 11 HD2 HIS 11 17.641 -1.463 -5.738 67 HE1 HIS 11 HE1 HIS 11 14.432 -3.933 -6.991 68 HE2 HIS 11 HE2 HIS 11 16.842 -3.322 -7.343 69 H CYS 12 H CYS 12 14.388 2.842 -4.599 70 HA CYS 12 HA CYS 12 13.252 3.073 -1.908 71 HB2 CYS 12 HB2 CYS 12 14.927 5.112 -3.328 72 HB3 CYS 12 HB3 CYS 12 13.607 5.662 -2.316 73 H LYS 13 H LYS 13 11.205 3.856 -1.888 74 HA LYS 13 HA LYS 13 9.890 4.081 -4.445 75 HB2 LYS 13 HB2 LYS 13 8.770 4.128 -1.642 76 HB3 LYS 13 HB3 LYS 13 7.824 4.105 -3.123 77 HG2 LYS 13 HG2 LYS 13 8.652 1.932 -3.682 78 HG3 LYS 13 HG3 LYS 13 9.744 1.954 -2.295 79 HD2 LYS 13 HD2 LYS 13 7.763 2.145 -0.819 80 HD3 LYS 13 HD3 LYS 13 6.738 1.955 -2.245 81 HE2 LYS 13 HE2 LYS 13 7.002 -0.169 -1.104 82 HE3 LYS 13 HE3 LYS 13 7.768 -0.212 -2.690 83 HZ1 LYS 13 HZ1 LYS 13 9.908 0.105 -1.655 84 HZ2 LYS 13 HZ2 LYS 13 9.143 -1.231 -0.967 85 HZ3 LYS 13 HZ3 LYS 13 9.201 0.234 -0.127 86 H VAL 14 H VAL 14 9.725 5.909 -5.344 87 HA VAL 14 HA VAL 14 10.252 8.327 -3.854 88 HB VAL 14 HB VAL 14 9.681 8.158 -6.802 89 HG11 VAL 14 HG11 VAL 14 11.286 10.033 -5.095 90 HG12 VAL 14 HG12 VAL 14 9.741 10.374 -5.880 91 HG13 VAL 14 HG13 VAL 14 11.191 10.087 -6.850 92 HG21 VAL 14 HG21 VAL 14 12.111 7.912 -7.136 93 HG22 VAL 14 HG22 VAL 14 11.385 6.511 -6.347 94 HG23 VAL 14 HG23 VAL 14 12.300 7.681 -5.398 95 H ASP 15 H ASP 15 8.767 9.542 -3.057 96 HA ASP 15 HA ASP 15 5.983 9.090 -3.465 97 HB2 ASP 15 HB2 ASP 15 7.511 11.252 -2.022 98 HB3 ASP 15 HB3 ASP 15 5.756 11.120 -2.015 99 HA PRO 16 HA PRO 16 5.459 11.813 -6.969 100 HB2 PRO 16 HB2 PRO 16 2.794 12.379 -6.609 101 HB3 PRO 16 HB3 PRO 16 3.391 10.896 -7.362 102 HG2 PRO 16 HG2 PRO 16 2.487 11.360 -4.546 103 HG3 PRO 16 HG3 PRO 16 2.154 9.986 -5.617 104 HD2 PRO 16 HD2 PRO 16 4.005 9.846 -3.683 105 HD3 PRO 16 HD3 PRO 16 4.240 9.034 -5.242 106 H GLU 17 H GLU 17 4.661 12.648 -3.703 107 HA GLU 17 HA GLU 17 4.420 15.473 -4.345 108 HB2 GLU 17 HB2 GLU 17 4.084 14.014 -1.715 109 HB3 GLU 17 HB3 GLU 17 3.841 15.740 -1.940 110 HG2 GLU 17 HG2 GLU 17 2.007 15.289 -3.494 111 HG3 GLU 17 HG3 GLU 17 2.261 13.557 -3.296 112 H ARG 18 H ARG 18 6.943 13.368 -3.671 113 HA ARG 18 HA ARG 18 8.647 15.622 -2.913 114 HB2 ARG 18 HB2 ARG 18 8.531 13.017 -1.372 115 HB3 ARG 18 HB3 ARG 18 9.915 14.091 -1.292 116 HG2 ARG 18 HG2 ARG 18 8.372 15.884 -0.446 117 HG3 ARG 18 HG3 ARG 18 7.096 14.667 -0.372 118 HD2 ARG 18 HD2 ARG 18 8.518 13.322 1.156 119 HD3 ARG 18 HD3 ARG 18 9.728 14.601 1.128 120 HE ARG 18 HE ARG 18 7.302 15.725 1.928 121 HH11 ARG 18 HH11 ARG 18 9.638 13.386 3.075 122 HH12 ARG 18 HH12 ARG 18 9.317 13.681 4.748 123 HH21 ARG 18 HH21 ARG 18 6.863 16.133 4.159 124 HH22 ARG 18 HH22 ARG 18 7.731 15.265 5.372 125 H VAL 19 H VAL 19 8.239 14.033 -5.359 126 HA VAL 19 HA VAL 19 10.584 12.394 -5.684 127 HB VAL 19 HB VAL 19 8.749 11.703 -7.090 128 HG11 VAL 19 HG11 VAL 19 7.488 13.799 -7.088 129 HG12 VAL 19 HG12 VAL 19 7.706 13.199 -8.734 130 HG13 VAL 19 HG13 VAL 19 8.697 14.532 -8.143 131 HG21 VAL 19 HG21 VAL 19 9.653 11.869 -9.336 132 HG22 VAL 19 HG22 VAL 19 10.937 11.566 -8.165 133 HG23 VAL 19 HG23 VAL 19 10.715 13.182 -8.832 134 H PHE 20 H PHE 20 12.587 13.062 -6.047 135 HA PHE 20 HA PHE 20 13.115 15.781 -6.798 136 HB2 PHE 20 HB2 PHE 20 14.823 13.405 -6.131 137 HB3 PHE 20 HB3 PHE 20 15.529 14.860 -6.819 138 HD1 PHE 20 HD1 PHE 20 13.611 13.553 -3.939 139 HD2 PHE 20 HD2 PHE 20 15.953 16.738 -5.506 140 HE1 PHE 20 HE1 PHE 20 13.737 14.556 -1.697 141 HE2 PHE 20 HE2 PHE 20 16.087 17.749 -3.273 142 HZ PHE 20 HZ PHE 20 14.975 16.658 -1.359 143 H ASN 21 H ASN 21 12.804 16.346 -8.821 144 HA ASN 21 HA ASN 21 13.298 14.417 -10.941 145 HB2 ASN 21 HB2 ASN 21 12.029 17.151 -10.987 146 HB3 ASN 21 HB3 ASN 21 12.324 16.188 -12.424 147 HD21 ASN 21 HD21 ASN 21 11.752 13.668 -11.244 148 HD22 ASN 21 HD22 ASN 21 10.046 13.597 -10.999 149 H HIS 22 H HIS 22 14.830 14.558 -12.408 150 HA HIS 22 HA HIS 22 16.470 16.965 -12.496 151 HB2 HIS 22 HB2 HIS 22 17.600 15.307 -10.986 152 HB3 HIS 22 HB3 HIS 22 17.649 14.181 -12.336 153 HD2 HIS 22 HD2 HIS 22 19.389 17.493 -11.205 154 HE1 HIS 22 HE1 HIS 22 21.513 15.922 -14.513 155 HE2 HIS 22 HE2 HIS 22 21.561 17.545 -12.597 156 H ASP 23 H ASP 23 16.206 17.620 -14.510 157 HA ASP 23 HA ASP 23 16.286 17.700 -16.776 158 HB2 ASP 23 HB2 ASP 23 18.479 16.486 -16.287 159 HB3 ASP 23 HB3 ASP 23 17.640 15.002 -16.715 160 H GLY 24 H GLY 24 14.104 16.275 -15.307 161 HA2 GLY 24 HA2 GLY 24 12.021 15.665 -16.240 162 HA3 GLY 24 HA3 GLY 24 12.855 15.117 -17.685 163 H GLU 25 H GLU 25 14.415 14.004 -14.928 164 HA GLU 25 HA GLU 25 13.034 11.424 -15.171 165 HB2 GLU 25 HB2 GLU 25 15.656 11.910 -15.668 166 HB3 GLU 25 HB3 GLU 25 15.721 11.523 -13.953 167 HG2 GLU 25 HG2 GLU 25 14.898 9.371 -14.278 168 HG3 GLU 25 HG3 GLU 25 14.310 9.745 -15.897 169 H ALA 26 H ALA 26 12.802 10.174 -13.227 170 HA ALA 26 HA ALA 26 12.361 11.892 -10.895 171 HB1 ALA 26 HB1 ALA 26 10.874 10.138 -10.108 172 HB2 ALA 26 HB2 ALA 26 11.334 9.115 -11.468 173 HB3 ALA 26 HB3 ALA 26 10.450 10.613 -11.752 174 H TYR 27 H TYR 27 13.251 11.483 -8.919 175 HA TYR 27 HA TYR 27 14.948 9.129 -8.568 176 HB2 TYR 27 HB2 TYR 27 15.931 11.984 -8.380 177 HB3 TYR 27 HB3 TYR 27 16.799 10.623 -7.671 178 HD1 TYR 27 HD1 TYR 27 16.129 12.520 -10.666 179 HD2 TYR 27 HD2 TYR 27 17.665 8.829 -9.216 180 HE1 TYR 27 HE1 TYR 27 17.254 12.144 -12.824 181 HE2 TYR 27 HE2 TYR 27 18.793 8.441 -11.359 182 HH TYR 27 HH TYR 27 18.282 9.298 -13.873 183 H CYS 28 H CYS 28 15.455 8.698 -6.305 184 HA CYS 28 HA CYS 28 13.262 9.350 -4.606 185 HB2 CYS 28 HB2 CYS 28 14.289 7.961 -2.951 186 HB3 CYS 28 HB3 CYS 28 14.587 7.197 -4.505 187 H SER 29 H SER 29 16.481 10.552 -4.997 188 HA SER 29 HA SER 29 15.865 12.858 -3.419 189 HB2 SER 29 HB2 SER 29 16.617 11.315 -1.661 190 HB3 SER 29 HB3 SER 29 18.078 10.960 -2.567 191 HG SER 29 HG SER 29 17.468 13.113 -0.982 192 H GLN 30 H GLN 30 17.510 14.472 -3.621 193 HA GLN 30 HA GLN 30 18.556 14.867 -6.134 194 HB2 GLN 30 HB2 GLN 30 18.272 16.720 -4.657 195 HB3 GLN 30 HB3 GLN 30 19.334 16.015 -3.454 196 HG2 GLN 30 HG2 GLN 30 20.544 16.597 -6.083 197 HG3 GLN 30 HG3 GLN 30 20.057 17.984 -5.109 198 HE21 GLN 30 HE21 GLN 30 22.753 17.042 -5.844 199 HE22 GLN 30 HE22 GLN 30 23.570 16.779 -4.343 200 H ALA 31 H ALA 31 19.920 13.088 -3.465 201 HA ALA 31 HA ALA 31 22.602 12.913 -4.179 202 HB1 ALA 31 HB1 ALA 31 20.894 10.748 -2.946 203 HB2 ALA 31 HB2 ALA 31 21.669 12.058 -2.060 204 HB3 ALA 31 HB3 ALA 31 22.653 10.845 -2.883 205 H CYS 32 H CYS 32 19.924 10.728 -5.149 206 HA CYS 32 HA CYS 32 21.582 9.328 -7.021 207 HB2 CYS 32 HB2 CYS 32 18.681 9.210 -6.284 208 HB3 CYS 32 HB3 CYS 32 19.240 8.432 -7.756 209 H ALA 33 H ALA 33 19.541 12.119 -7.093 210 HA ALA 33 HA ALA 33 18.832 12.202 -9.776 211 HB1 ALA 33 HB1 ALA 33 17.908 13.726 -8.103 212 HB2 ALA 33 HB2 ALA 33 18.580 14.619 -9.466 213 HB3 ALA 33 HB3 ALA 33 19.475 14.520 -7.954 214 H GLU 34 H GLU 34 21.805 13.195 -8.155 215 HA GLU 34 HA GLU 34 22.964 14.101 -10.639 216 HB2 GLU 34 HB2 GLU 34 24.139 13.919 -7.879 217 HB3 GLU 34 HB3 GLU 34 24.922 14.654 -9.273 218 HG2 GLU 34 HG2 GLU 34 22.718 16.048 -9.362 219 HG3 GLU 34 HG3 GLU 34 22.619 15.591 -7.670 220 H GLN 35 H GLN 35 22.359 11.152 -9.613 221 HA GLN 35 HA GLN 35 23.155 9.078 -10.063 222 HB2 GLN 35 HB2 GLN 35 24.882 10.511 -12.079 223 HB3 GLN 35 HB3 GLN 35 24.371 8.825 -12.128 224 HG2 GLN 35 HG2 GLN 35 22.105 9.433 -12.498 225 HG3 GLN 35 HG3 GLN 35 22.444 11.125 -12.163 226 HE21 GLN 35 HE21 GLN 35 21.250 9.899 -14.504 227 HE22 GLN 35 HE22 GLN 35 22.233 10.376 -15.841 228 H HIS 36 H HIS 36 24.382 10.438 -7.943 229 HA HIS 36 HA HIS 36 26.084 10.278 -6.455 230 HB2 HIS 36 HB2 HIS 36 26.949 7.864 -8.044 231 HB3 HIS 36 HB3 HIS 36 27.373 8.227 -6.373 232 HD1 HIS 36 HD1 HIS 36 25.318 8.110 -4.628 233 HD2 HIS 36 HD2 HIS 36 24.629 6.521 -8.404 234 HE1 HIS 36 HE1 HIS 36 23.270 6.686 -4.399 235 HA PRO 37 HA PRO 37 28.924 12.414 -9.390 236 HB2 PRO 37 HB2 PRO 37 29.286 14.579 -7.752 237 HB3 PRO 37 HB3 PRO 37 27.995 14.456 -8.952 238 HG2 PRO 37 HG2 PRO 37 27.905 13.971 -6.008 239 HG3 PRO 37 HG3 PRO 37 26.713 14.780 -7.044 240 HD2 PRO 37 HD2 PRO 37 26.398 12.243 -6.180 241 HD3 PRO 37 HD3 PRO 37 25.807 12.780 -7.763 242 H ASN 38 H ASN 38 29.250 12.256 -5.838 243 HA ASN 38 HA ASN 38 32.137 11.762 -6.224 244 HB2 ASN 38 HB2 ASN 38 30.717 12.956 -3.831 245 HB3 ASN 38 HB3 ASN 38 32.426 12.554 -3.871 246 HD21 ASN 38 HD21 ASN 38 32.683 13.444 -6.680 247 HD22 ASN 38 HD22 ASN 38 32.657 15.170 -6.616 248 H GLY 39 H GLY 39 29.802 9.858 -6.190 249 HA2 GLY 39 HA2 GLY 39 29.559 7.662 -5.482 250 HA3 GLY 39 HA3 GLY 39 31.015 7.860 -4.513 251 H GLU 40 H GLU 40 28.606 10.199 -4.108 252 HA GLU 40 HA GLU 40 28.154 9.512 -1.363 253 HB2 GLU 40 HB2 GLU 40 28.144 11.832 -2.795 254 HB3 GLU 40 HB3 GLU 40 26.424 11.503 -2.730 255 HG2 GLU 40 HG2 GLU 40 26.891 12.946 -0.935 256 HG3 GLU 40 HG3 GLU 40 26.668 11.350 -0.226 257 HA PRO 41 HA PRO 41 24.687 6.774 -2.602 258 HB2 PRO 41 HB2 PRO 41 24.094 5.926 -0.083 259 HB3 PRO 41 HB3 PRO 41 25.425 5.256 -1.032 260 HG2 PRO 41 HG2 PRO 41 25.492 7.352 1.106 261 HG3 PRO 41 HG3 PRO 41 26.568 5.961 0.871 262 HD2 PRO 41 HD2 PRO 41 27.277 8.435 0.117 263 HD3 PRO 41 HD3 PRO 41 27.752 7.005 -0.824 264 H CYS 42 H CYS 42 22.363 6.596 -1.932 265 HA CYS 42 HA CYS 42 21.242 9.199 -1.591 266 HB2 CYS 42 HB2 CYS 42 19.120 8.150 -1.907 267 HB3 CYS 42 HB3 CYS 42 20.242 7.321 -2.975 268 HA PRO 43 HA PRO 43 20.783 9.499 2.763 269 HB2 PRO 43 HB2 PRO 43 18.298 10.575 3.030 270 HB3 PRO 43 HB3 PRO 43 19.691 11.473 2.406 271 HG2 PRO 43 HG2 PRO 43 17.513 10.073 0.902 272 HG3 PRO 43 HG3 PRO 43 18.152 11.712 0.672 273 HD2 PRO 43 HD2 PRO 43 18.936 9.715 -0.888 274 HD3 PRO 43 HD3 PRO 43 20.090 10.949 -0.345 275 H ALA 44 H ALA 44 19.740 6.843 1.571 276 HA ALA 44 HA ALA 44 17.836 6.131 3.716 277 HB1 ALA 44 HB1 ALA 44 17.062 5.601 1.457 278 HB2 ALA 44 HB2 ALA 44 17.352 4.124 2.374 279 HB3 ALA 44 HB3 ALA 44 18.522 4.658 1.167 280 HA PRO 45 HA PRO 45 21.373 4.362 5.688 281 HB2 PRO 45 HB2 PRO 45 20.126 3.104 7.741 282 HB3 PRO 45 HB3 PRO 45 20.349 4.856 7.677 283 HG2 PRO 45 HG2 PRO 45 17.930 3.227 7.009 284 HG3 PRO 45 HG3 PRO 45 18.040 4.757 7.898 285 HD2 PRO 45 HD2 PRO 45 17.303 4.617 5.285 286 HD3 PRO 45 HD3 PRO 45 18.154 6.011 5.976 287 H ASP 46 H ASP 46 18.606 2.325 4.875 288 HA ASP 46 HA ASP 46 20.186 -0.098 5.186 289 HB2 ASP 46 HB2 ASP 46 17.821 -0.154 5.818 290 HB3 ASP 46 HB3 ASP 46 17.358 0.279 4.177 291 H CYS 47 H CYS 47 19.763 2.178 2.787 292 HA CYS 47 HA CYS 47 19.980 0.322 0.578 293 HB2 CYS 47 HB2 CYS 47 18.730 2.601 0.655 294 HB3 CYS 47 HB3 CYS 47 20.324 3.271 0.329 295 H HIS 48 H HIS 48 21.788 0.237 -0.857 296 HA HIS 48 HA HIS 48 24.275 1.362 0.232 297 HB2 HIS 48 HB2 HIS 48 23.828 -1.541 -0.491 298 HB3 HIS 48 HB3 HIS 48 25.416 -0.834 -0.239 299 HD1 HIS 48 HD1 HIS 48 26.209 -0.581 2.162 300 HD2 HIS 48 HD2 HIS 48 22.218 -1.706 1.873 301 HE1 HIS 48 HE1 HIS 48 25.507 -1.191 4.495 302 HE2 HIS 48 HE2 HIS 48 23.146 -2.041 4.258 303 H CYS 49 H CYS 49 22.862 2.347 -2.002 304 HA CYS 49 HA CYS 49 24.397 1.388 -4.296 305 HB2 CYS 49 HB2 CYS 49 22.914 2.773 -5.638 306 HB3 CYS 49 HB3 CYS 49 21.967 1.748 -4.568 307 H GLU 50 H GLU 50 25.936 2.618 -5.276 308 HA GLU 50 HA GLU 50 26.364 5.376 -4.897 309 HB2 GLU 50 HB2 GLU 50 28.526 5.101 -3.529 310 HB3 GLU 50 HB3 GLU 50 26.998 5.031 -2.660 311 HG2 GLU 50 HG2 GLU 50 27.111 2.681 -2.461 312 HG3 GLU 50 HG3 GLU 50 28.436 2.574 -3.610 313 H ARG 51 H ARG 51 27.809 2.240 -5.427 314 HA ARG 51 HA ARG 51 29.911 3.321 -7.115 315 HB2 ARG 51 HB2 ARG 51 29.271 0.475 -6.297 316 HB3 ARG 51 HB3 ARG 51 30.721 0.992 -7.155 317 HG2 ARG 51 HG2 ARG 51 31.612 2.041 -5.307 318 HG3 ARG 51 HG3 ARG 51 30.049 2.240 -4.529 319 HD2 ARG 51 HD2 ARG 51 30.133 -0.412 -4.511 320 HD3 ARG 51 HD3 ARG 51 31.872 -0.111 -4.579 321 HE ARG 51 HE ARG 51 30.843 1.547 -2.601 322 HH11 ARG 51 HH11 ARG 51 31.223 -1.894 -3.176 323 HH12 ARG 51 HH12 ARG 51 31.170 -2.309 -1.500 324 HH21 ARG 51 HH21 ARG 51 30.792 1.006 -0.382 325 HH22 ARG 51 HH22 ARG 51 30.939 -0.647 0.104 326 H SER 52 H SER 52 27.258 3.691 -8.014 327 HA SER 52 HA SER 52 27.431 2.367 -10.583 328 HB2 SER 52 HB2 SER 52 25.920 0.950 -9.181 329 HB3 SER 52 HB3 SER 52 24.875 2.351 -8.951 330 HG SER 52 HG SER 52 25.032 0.643 -11.047 331 H GLY 53 H GLY 53 25.637 3.343 -12.029 332 HA2 GLY 53 HA2 GLY 53 24.209 5.437 -12.145 333 HA3 GLY 53 HA3 GLY 53 25.657 6.257 -11.572 334 H LYS 54 H LYS 54 27.603 6.012 -12.908 335 HA LYS 54 HA LYS 54 26.956 6.369 -15.701 336 HB2 LYS 54 HB2 LYS 54 29.552 6.546 -14.167 337 HB3 LYS 54 HB3 LYS 54 29.432 6.806 -15.901 338 HG2 LYS 54 HG2 LYS 54 27.851 8.397 -13.906 339 HG3 LYS 54 HG3 LYS 54 29.460 8.869 -14.454 340 HD2 LYS 54 HD2 LYS 54 28.691 9.012 -16.735 341 HD3 LYS 54 HD3 LYS 54 27.107 8.382 -16.278 342 HE2 LYS 54 HE2 LYS 54 26.677 10.340 -14.927 343 HE3 LYS 54 HE3 LYS 54 28.295 10.957 -15.253 344 HZ1 LYS 54 HZ1 LYS 54 27.717 11.147 -17.584 345 HZ2 LYS 54 HZ2 LYS 54 26.628 12.025 -16.638 346 HZ3 LYS 54 HZ3 LYS 54 26.172 10.536 -17.282 347 H VAL 55 H VAL 55 26.266 4.275 -16.239 348 HA VAL 55 HA VAL 55 28.398 2.247 -16.292 349 HB VAL 55 HB VAL 55 25.429 1.749 -16.601 350 HG11 VAL 55 HG11 VAL 55 27.722 -0.131 -16.053 351 HG12 VAL 55 HG12 VAL 55 26.866 0.043 -17.583 352 HG13 VAL 55 HG13 VAL 55 26.020 -0.579 -16.166 353 HG21 VAL 55 HG21 VAL 55 25.454 0.938 -14.289 354 HG22 VAL 55 HG22 VAL 55 25.877 2.648 -14.372 355 HG23 VAL 55 HG23 VAL 55 27.137 1.439 -14.130 356 H GLY 56 H GLY 56 25.641 3.458 -18.189 357 HA2 GLY 56 HA2 GLY 56 26.525 4.160 -20.515 358 HA3 GLY 56 HA3 GLY 56 26.951 2.458 -20.625 359 H GLY 57 H GLY 57 24.679 1.455 -19.258 360 HA2 GLY 57 HA2 GLY 57 22.489 0.892 -19.567 361 HA3 GLY 57 HA3 GLY 57 22.259 2.434 -20.378 362 H ARG 58 H ARG 58 21.292 2.011 -22.244 363 HA ARG 58 HA ARG 58 22.401 -0.151 -23.902 364 HB2 ARG 58 HB2 ARG 58 20.085 -0.590 -23.234 365 HB3 ARG 58 HB3 ARG 58 19.588 0.965 -23.876 366 HG2 ARG 58 HG2 ARG 58 18.958 -0.859 -25.370 367 HG3 ARG 58 HG3 ARG 58 20.117 0.219 -26.141 368 HD2 ARG 58 HD2 ARG 58 21.006 -2.290 -24.741 369 HD3 ARG 58 HD3 ARG 58 20.439 -2.329 -26.408 370 HE ARG 58 HE ARG 58 22.330 -0.344 -26.342 371 HH11 ARG 58 HH11 ARG 58 22.285 -3.770 -25.585 372 HH12 ARG 58 HH12 ARG 58 23.934 -4.013 -26.036 373 HH21 ARG 58 HH21 ARG 58 24.526 -0.675 -26.918 374 HH22 ARG 58 HH22 ARG 58 25.217 -2.257 -26.781 375 H ASP 59 H ASP 59 20.596 2.910 -24.290 376 HA ASP 59 HA ASP 59 22.448 3.584 -26.481 377 HB2 ASP 59 HB2 ASP 59 20.674 4.544 -27.764 378 HB3 ASP 59 HB3 ASP 59 20.141 2.939 -27.285 379 H ILE 60 H ILE 60 23.133 5.678 -26.587 380 HA ILE 60 HA ILE 60 22.183 7.443 -24.447 381 HB ILE 60 HB ILE 60 24.842 7.594 -25.881 382 HG12 ILE 60 HG12 ILE 60 24.553 5.533 -24.482 383 HG13 ILE 60 HG13 ILE 60 25.856 6.585 -23.960 384 HG21 ILE 60 HG21 ILE 60 24.069 9.732 -24.988 385 HG22 ILE 60 HG22 ILE 60 25.454 9.137 -24.071 386 HG23 ILE 60 HG23 ILE 60 23.827 8.994 -23.404 387 HD11 ILE 60 HD11 ILE 60 24.619 5.715 -22.061 388 HD12 ILE 60 HD12 ILE 60 23.121 6.378 -22.713 389 HD13 ILE 60 HD13 ILE 60 24.405 7.462 -22.180 390 H THR 61 H THR 61 20.422 7.877 -25.974 391 HA THR 61 HA THR 61 21.019 9.390 -28.337 392 HB THR 61 HB THR 61 18.429 9.830 -28.097 393 HG1 THR 61 HG1 THR 61 18.488 7.388 -26.678 394 HG21 THR 61 HG21 THR 61 17.989 7.668 -29.186 395 HG22 THR 61 HG22 THR 61 19.568 7.084 -28.663 396 HG23 THR 61 HG23 THR 61 19.458 8.414 -29.817 397 H ASN 62 H ASN 62 19.400 10.130 -25.257 398 HA ASN 62 HA ASN 62 19.244 12.002 -23.990 399 HB2 ASN 62 HB2 ASN 62 21.748 11.772 -24.076 400 HB3 ASN 62 HB3 ASN 62 21.756 12.915 -25.413 401 HD21 ASN 62 HD21 ASN 62 19.680 13.072 -22.560 402 HD22 ASN 62 HD22 ASN 62 20.361 14.534 -21.941 403 H ASN 63 H ASN 63 18.001 11.946 -26.663 404 HA ASN 63 HA ASN 63 17.894 14.829 -27.289 405 HB2 ASN 63 HB2 ASN 63 18.369 13.211 -29.163 406 HB3 ASN 63 HB3 ASN 63 16.739 12.587 -28.907 407 HD21 ASN 63 HD21 ASN 63 15.008 14.009 -29.125 408 HD22 ASN 63 HD22 ASN 63 15.082 15.344 -30.226 409 H GLN 64 H GLN 64 16.523 15.708 -25.918 410 HA GLN 64 HA GLN 64 13.919 14.406 -25.501 411 HB2 GLN 64 HB2 GLN 64 15.183 16.708 -24.012 412 HB3 GLN 64 HB3 GLN 64 13.708 15.859 -23.577 413 HG2 GLN 64 HG2 GLN 64 16.454 14.624 -23.662 414 HG3 GLN 64 HG3 GLN 64 15.646 15.198 -22.206 415 HE21 GLN 64 HE21 GLN 64 15.695 12.748 -24.678 416 HE22 GLN 64 HE22 GLN 64 14.657 11.635 -23.861 417 H LEU 65 H LEU 65 15.147 16.278 -27.650 418 HA LEU 65 HA LEU 65 13.140 18.423 -27.652 419 HB2 LEU 65 HB2 LEU 65 15.399 18.156 -29.594 420 HB3 LEU 65 HB3 LEU 65 14.562 19.605 -29.069 421 HG LEU 65 HG LEU 65 16.519 18.003 -27.426 422 HD11 LEU 65 HD11 LEU 65 16.778 20.709 -28.732 423 HD12 LEU 65 HD12 LEU 65 17.602 19.227 -29.220 424 HD13 LEU 65 HD13 LEU 65 17.965 19.965 -27.660 425 HD21 LEU 65 HD21 LEU 65 15.098 20.592 -26.795 426 HD22 LEU 65 HD22 LEU 65 16.351 19.834 -25.811 427 HD23 LEU 65 HD23 LEU 65 14.798 19.029 -26.033 428 H ASP 66 H ASP 66 11.319 17.864 -28.756 429 HA ASP 66 HA ASP 66 11.645 16.722 -31.405 430 HB2 ASP 66 HB2 ASP 66 10.338 14.783 -31.089 431 HB3 ASP 66 HB3 ASP 66 11.474 14.800 -29.749 432 H GLU 67 H GLU 67 10.182 17.345 -32.803 433 HA GLU 67 HA GLU 67 8.391 18.289 -33.784 434 HB2 GLU 67 HB2 GLU 67 7.374 16.291 -32.933 435 HB3 GLU 67 HB3 GLU 67 7.060 17.061 -31.391 436 HG2 GLU 67 HG2 GLU 67 5.541 18.629 -32.556 437 HG3 GLU 67 HG3 GLU 67 5.789 17.689 -34.031 438 H ALA 68 H ALA 68 6.901 18.839 -30.648 439 HA ALA 68 HA ALA 68 6.765 21.700 -31.292 440 HB1 ALA 68 HB1 ALA 68 5.120 20.061 -29.361 441 HB2 ALA 68 HB2 ALA 68 4.627 20.544 -30.984 442 HB3 ALA 68 HB3 ALA 68 4.875 21.766 -29.737 443 H LEU 69 H LEU 69 9.151 20.925 -30.407 444 HA LEU 69 HA LEU 69 9.474 21.006 -27.596 445 HB2 LEU 69 HB2 LEU 69 11.862 21.175 -28.101 446 HB3 LEU 69 HB3 LEU 69 11.085 19.901 -29.018 447 HG LEU 69 HG LEU 69 10.943 21.920 -30.798 448 HD11 LEU 69 HD11 LEU 69 13.105 23.075 -30.842 449 HD12 LEU 69 HD12 LEU 69 13.498 22.375 -29.273 450 HD13 LEU 69 HD13 LEU 69 12.147 23.499 -29.423 451 HD21 LEU 69 HD21 LEU 69 11.752 19.698 -31.277 452 HD22 LEU 69 HD22 LEU 69 13.245 20.022 -30.398 453 HD23 LEU 69 HD23 LEU 69 12.894 20.895 -31.888 454 H GLU 70 H GLU 70 10.199 22.626 -26.281 455 HA GLU 70 HA GLU 70 10.604 24.684 -25.459 456 HB2 GLU 70 HB2 GLU 70 12.320 24.608 -27.319 457 HB3 GLU 70 HB3 GLU 70 11.205 25.578 -28.267 458 HG2 GLU 70 HG2 GLU 70 11.313 27.344 -26.592 459 HG3 GLU 70 HG3 GLU 70 12.420 26.364 -25.632 460 H GLU 71 H GLU 71 7.900 23.992 -26.555 461 HA GLU 71 HA GLU 71 6.835 26.633 -27.204 462 HB2 GLU 71 HB2 GLU 71 6.030 24.250 -28.100 463 HB3 GLU 71 HB3 GLU 71 5.096 24.253 -26.614 464 HG2 GLU 71 HG2 GLU 71 3.673 25.049 -28.334 465 HG3 GLU 71 HG3 GLU 71 4.105 26.442 -27.347 466 H THR 72 H THR 72 7.745 27.385 -25.152 467 HA THR 72 HA THR 72 6.594 26.368 -22.695 468 HB THR 72 HB THR 72 9.027 26.827 -22.858 469 HG1 THR 72 HG1 THR 72 8.980 27.212 -20.778 470 HG21 THR 72 HG21 THR 72 9.830 29.152 -22.780 471 HG22 THR 72 HG22 THR 72 8.175 29.727 -22.977 472 HG23 THR 72 HG23 THR 72 8.955 28.822 -24.275 473 H PHE 73 H PHE 73 6.540 28.444 -21.033 474 HA PHE 73 HA PHE 73 4.702 30.488 -21.998 475 HB2 PHE 73 HB2 PHE 73 3.115 29.846 -20.073 476 HB3 PHE 73 HB3 PHE 73 3.102 28.795 -21.485 477 HD1 PHE 73 HD1 PHE 73 4.299 29.111 -18.004 478 HD2 PHE 73 HD2 PHE 73 3.730 26.517 -21.331 479 HE1 PHE 73 HE1 PHE 73 4.790 27.170 -16.574 480 HE2 PHE 73 HE2 PHE 73 4.219 24.574 -19.905 481 HZ PHE 73 HZ PHE 73 4.752 24.901 -17.524 482 HA PRO 74 HA PRO 74 6.722 32.494 -18.544 483 HB2 PRO 74 HB2 PRO 74 5.175 34.641 -18.152 484 HB3 PRO 74 HB3 PRO 74 6.057 34.412 -19.665 485 HG2 PRO 74 HG2 PRO 74 3.162 34.151 -19.122 486 HG3 PRO 74 HG3 PRO 74 3.993 34.515 -20.641 487 HD2 PRO 74 HD2 PRO 74 2.970 31.984 -19.743 488 HD3 PRO 74 HD3 PRO 74 3.813 32.343 -21.262 489 H ALA 75 H ALA 75 5.950 33.834 -16.404 490 HA ALA 75 HA ALA 75 5.074 31.958 -14.536 491 HB1 ALA 75 HB1 ALA 75 6.387 33.955 -13.961 492 HB2 ALA 75 HB2 ALA 75 4.936 33.824 -12.970 493 HB3 ALA 75 HB3 ALA 75 4.989 34.969 -14.310 494 H SER 76 H SER 76 3.323 34.551 -16.168 495 HA SER 76 HA SER 76 0.841 33.110 -15.693 496 HB2 SER 76 HB2 SER 76 1.237 36.055 -15.089 497 HB3 SER 76 HB3 SER 76 -0.323 35.232 -15.104 498 HG SER 76 HG SER 76 0.355 33.959 -13.383 499 H ASP 77 H ASP 77 -0.359 33.007 -17.491 500 HA ASP 77 HA ASP 77 0.612 34.313 -19.875 501 HB2 ASP 77 HB2 ASP 77 -1.253 32.978 -20.972 502 HB3 ASP 77 HB3 ASP 77 -0.009 32.030 -20.164 503 HA PRO 78 HA PRO 78 -2.126 37.758 -19.829 504 HB2 PRO 78 HB2 PRO 78 -2.469 38.168 -22.504 505 HB3 PRO 78 HB3 PRO 78 -0.985 38.594 -21.645 506 HG2 PRO 78 HG2 PRO 78 -1.589 36.171 -23.296 507 HG3 PRO 78 HG3 PRO 78 -0.124 37.170 -23.270 508 HD2 PRO 78 HD2 PRO 78 -0.263 34.808 -21.984 509 HD3 PRO 78 HD3 PRO 78 0.672 36.173 -21.342 510 H ILE 79 H ILE 79 -4.270 38.492 -20.608 511 HA ILE 79 HA ILE 79 -6.140 36.329 -20.416 512 HB ILE 79 HB ILE 79 -6.546 39.314 -20.741 513 HG12 ILE 79 HG12 ILE 79 -7.587 39.041 -18.441 514 HG13 ILE 79 HG13 ILE 79 -6.957 37.401 -18.430 515 HG21 ILE 79 HG21 ILE 79 -8.647 37.171 -20.480 516 HG22 ILE 79 HG22 ILE 79 -8.374 38.220 -21.872 517 HG23 ILE 79 HG23 ILE 79 -8.938 38.904 -20.348 518 HD11 ILE 79 HD11 ILE 79 -4.682 38.293 -18.604 519 HD12 ILE 79 HD12 ILE 79 -5.526 38.886 -17.174 520 HD13 ILE 79 HD13 ILE 79 -5.336 39.932 -18.582 521 H SER 80 H SER 80 -6.779 35.153 -22.036 522 HA SER 80 HA SER 80 -6.281 35.895 -24.746 523 HB2 SER 80 HB2 SER 80 -7.814 33.538 -23.629 524 HB3 SER 80 HB3 SER 80 -7.196 33.693 -25.274 525 HG SER 80 HG SER 80 -5.871 33.070 -22.919 526 HA PRO 81 HA PRO 81 -10.179 37.854 -25.618 527 HB2 PRO 81 HB2 PRO 81 -10.292 37.419 -28.299 528 HB3 PRO 81 HB3 PRO 81 -9.227 38.622 -27.563 529 HG2 PRO 81 HG2 PRO 81 -8.593 35.843 -28.478 530 HG3 PRO 81 HG3 PRO 81 -7.669 37.337 -28.721 531 HD2 PRO 81 HD2 PRO 81 -7.015 35.549 -26.824 532 HD3 PRO 81 HD3 PRO 81 -6.801 37.295 -26.581 Start of MODEL 13 1 HA ASN 1 HA ASN 1 30.053 -7.130 -13.149 2 HB2 ASN 1 HB2 ASN 1 27.359 -7.253 -14.533 3 HB3 ASN 1 HB3 ASN 1 28.394 -5.834 -14.434 4 HD21 ASN 1 HD21 ASN 1 27.843 -8.875 -15.965 5 HD22 ASN 1 HD22 ASN 1 29.058 -8.714 -17.181 6 H GLU 2 H GLU 2 29.739 -5.645 -11.593 7 HA GLU 2 HA GLU 2 27.902 -6.187 -9.497 8 HB2 GLU 2 HB2 GLU 2 29.555 -3.715 -10.018 9 HB3 GLU 2 HB3 GLU 2 28.739 -4.100 -8.510 10 HG2 GLU 2 HG2 GLU 2 30.142 -6.117 -8.302 11 HG3 GLU 2 HG3 GLU 2 30.997 -5.640 -9.768 12 H LEU 3 H LEU 3 26.172 -4.849 -8.768 13 HA LEU 3 HA LEU 3 24.714 -3.734 -11.021 14 HB2 LEU 3 HB2 LEU 3 23.921 -4.947 -8.434 15 HB3 LEU 3 HB3 LEU 3 22.862 -3.723 -9.107 16 HG LEU 3 HG LEU 3 22.167 -6.026 -9.686 17 HD11 LEU 3 HD11 LEU 3 21.565 -4.163 -11.138 18 HD12 LEU 3 HD12 LEU 3 21.827 -5.638 -12.064 19 HD13 LEU 3 HD13 LEU 3 23.059 -4.380 -12.047 20 HD21 LEU 3 HD21 LEU 3 24.433 -7.001 -9.823 21 HD22 LEU 3 HD22 LEU 3 24.697 -6.107 -11.319 22 HD23 LEU 3 HD23 LEU 3 23.447 -7.351 -11.243 23 H ARG 4 H ARG 4 23.598 -1.812 -10.890 24 HA ARG 4 HA ARG 4 24.909 0.156 -9.125 25 HB2 ARG 4 HB2 ARG 4 25.106 0.171 -11.793 26 HB3 ARG 4 HB3 ARG 4 23.564 1.005 -11.654 27 HG2 ARG 4 HG2 ARG 4 25.206 2.686 -11.756 28 HG3 ARG 4 HG3 ARG 4 24.719 2.596 -10.060 29 HD2 ARG 4 HD2 ARG 4 26.661 1.077 -9.668 30 HD3 ARG 4 HD3 ARG 4 27.177 1.397 -11.319 31 HE ARG 4 HE ARG 4 26.933 3.866 -10.212 32 HH11 ARG 4 HH11 ARG 4 28.692 0.943 -9.371 33 HH12 ARG 4 HH12 ARG 4 29.966 1.783 -8.556 34 HH21 ARG 4 HH21 ARG 4 28.656 4.987 -9.169 35 HH22 ARG 4 HH22 ARG 4 29.955 4.089 -8.458 36 H CYS 5 H CYS 5 23.589 1.781 -8.213 37 HA CYS 5 HA CYS 5 20.870 0.917 -7.826 38 HB2 CYS 5 HB2 CYS 5 22.114 1.616 -5.881 39 HB3 CYS 5 HB3 CYS 5 22.440 3.184 -6.603 40 H GLY 6 H GLY 6 19.056 1.894 -8.526 41 HA2 GLY 6 HA2 GLY 6 19.161 3.478 -10.843 42 HA3 GLY 6 HA3 GLY 6 17.726 3.147 -9.889 43 H CYS 7 H CYS 7 18.958 4.405 -7.460 44 HA CYS 7 HA CYS 7 18.003 7.037 -7.994 45 HB2 CYS 7 HB2 CYS 7 17.624 6.047 -5.803 46 HB3 CYS 7 HB3 CYS 7 19.354 5.918 -5.527 47 HA PRO 8 HA PRO 8 21.958 8.494 -9.511 48 HB2 PRO 8 HB2 PRO 8 21.079 11.011 -10.067 49 HB3 PRO 8 HB3 PRO 8 20.812 9.626 -11.133 50 HG2 PRO 8 HG2 PRO 8 18.960 10.897 -9.160 51 HG3 PRO 8 HG3 PRO 8 18.615 10.296 -10.791 52 HD2 PRO 8 HD2 PRO 8 17.994 8.903 -8.568 53 HD3 PRO 8 HD3 PRO 8 18.461 8.108 -10.087 54 H ASP 9 H ASP 9 20.095 9.772 -6.882 55 HA ASP 9 HA ASP 9 22.235 11.613 -6.093 56 HB2 ASP 9 HB2 ASP 9 19.789 12.275 -5.988 57 HB3 ASP 9 HB3 ASP 9 19.607 11.121 -4.674 58 H CYS 10 H CYS 10 21.581 8.447 -5.770 59 HA CYS 10 HA CYS 10 22.544 8.234 -3.017 60 HB2 CYS 10 HB2 CYS 10 20.493 7.066 -3.373 61 HB3 CYS 10 HB3 CYS 10 21.122 6.300 -4.828 62 H HIS 11 H HIS 11 24.406 7.123 -2.540 63 HA HIS 11 HA HIS 11 25.910 5.989 -4.799 64 HB2 HIS 11 HB2 HIS 11 26.838 7.797 -2.620 65 HB3 HIS 11 HB3 HIS 11 27.944 6.548 -3.174 66 HD2 HIS 11 HD2 HIS 11 25.695 8.973 -5.372 67 HE1 HIS 11 HE1 HIS 11 29.744 9.282 -6.578 68 HE2 HIS 11 HE2 HIS 11 27.371 9.847 -7.140 69 H CYS 12 H CYS 12 25.196 3.892 -4.442 70 HA CYS 12 HA CYS 12 26.471 2.612 -2.150 71 HB2 CYS 12 HB2 CYS 12 23.572 2.505 -2.829 72 HB3 CYS 12 HB3 CYS 12 24.334 1.038 -2.228 73 H LYS 13 H LYS 13 27.136 0.538 -2.442 74 HA LYS 13 HA LYS 13 27.536 -0.255 -5.207 75 HB2 LYS 13 HB2 LYS 13 28.652 -1.438 -2.653 76 HB3 LYS 13 HB3 LYS 13 29.163 -1.834 -4.287 77 HG2 LYS 13 HG2 LYS 13 30.014 0.414 -4.598 78 HG3 LYS 13 HG3 LYS 13 29.441 0.872 -2.994 79 HD2 LYS 13 HD2 LYS 13 31.463 -1.307 -3.520 80 HD3 LYS 13 HD3 LYS 13 31.884 0.354 -3.104 81 HE2 LYS 13 HE2 LYS 13 30.609 0.097 -0.992 82 HE3 LYS 13 HE3 LYS 13 30.316 -1.590 -1.409 83 HZ1 LYS 13 HZ1 LYS 13 32.732 -1.930 -1.435 84 HZ2 LYS 13 HZ2 LYS 13 32.177 -1.439 0.076 85 HZ3 LYS 13 HZ3 LYS 13 32.964 -0.335 -0.925 86 H VAL 14 H VAL 14 25.670 -1.168 -5.883 87 HA VAL 14 HA VAL 14 24.139 -2.948 -4.235 88 HB VAL 14 HB VAL 14 23.816 -2.485 -7.205 89 HG11 VAL 14 HG11 VAL 14 21.886 -3.376 -5.076 90 HG12 VAL 14 HG12 VAL 14 22.572 -4.376 -6.359 91 HG13 VAL 14 HG13 VAL 14 21.475 -3.050 -6.757 92 HG21 VAL 14 HG21 VAL 14 22.649 -0.912 -4.912 93 HG22 VAL 14 HG22 VAL 14 22.166 -0.749 -6.600 94 HG23 VAL 14 HG23 VAL 14 23.807 -0.326 -6.106 95 H ASP 15 H ASP 15 24.250 -5.096 -4.124 96 HA ASP 15 HA ASP 15 26.329 -6.479 -5.615 97 HB2 ASP 15 HB2 ASP 15 25.771 -6.792 -3.087 98 HB3 ASP 15 HB3 ASP 15 24.438 -7.746 -3.707 99 HA PRO 16 HA PRO 16 23.537 -8.245 -8.620 100 HB2 PRO 16 HB2 PRO 16 25.397 -10.548 -8.454 101 HB3 PRO 16 HB3 PRO 16 24.888 -9.624 -9.874 102 HG2 PRO 16 HG2 PRO 16 27.323 -9.300 -8.880 103 HG3 PRO 16 HG3 PRO 16 26.390 -7.893 -9.430 104 HD2 PRO 16 HD2 PRO 16 26.843 -8.891 -6.644 105 HD3 PRO 16 HD3 PRO 16 26.879 -7.225 -7.245 106 H GLU 17 H GLU 17 24.549 -9.897 -5.676 107 HA GLU 17 HA GLU 17 22.471 -11.923 -6.010 108 HB2 GLU 17 HB2 GLU 17 24.849 -11.622 -4.288 109 HB3 GLU 17 HB3 GLU 17 23.457 -12.308 -3.472 110 HG2 GLU 17 HG2 GLU 17 24.699 -14.152 -4.225 111 HG3 GLU 17 HG3 GLU 17 23.364 -14.013 -5.360 112 H ARG 18 H ARG 18 22.888 -8.840 -4.569 113 HA ARG 18 HA ARG 18 20.339 -9.153 -3.129 114 HB2 ARG 18 HB2 ARG 18 22.870 -7.890 -2.120 115 HB3 ARG 18 HB3 ARG 18 21.305 -7.438 -1.468 116 HG2 ARG 18 HG2 ARG 18 20.920 -9.807 -0.872 117 HG3 ARG 18 HG3 ARG 18 22.553 -10.174 -1.426 118 HD2 ARG 18 HD2 ARG 18 23.452 -8.587 0.225 119 HD3 ARG 18 HD3 ARG 18 21.813 -8.264 0.790 120 HE ARG 18 HE ARG 18 22.277 -11.027 0.907 121 HH11 ARG 18 HH11 ARG 18 23.319 -8.089 2.532 122 HH12 ARG 18 HH12 ARG 18 23.661 -8.887 4.026 123 HH21 ARG 18 HH21 ARG 18 22.730 -12.077 2.884 124 HH22 ARG 18 HH22 ARG 18 23.322 -11.171 4.233 125 H VAL 19 H VAL 19 20.347 -8.202 -5.652 126 HA VAL 19 HA VAL 19 20.240 -5.296 -5.404 127 HB VAL 19 HB VAL 19 21.452 -5.898 -7.385 128 HG11 VAL 19 HG11 VAL 19 20.721 -8.224 -7.569 129 HG12 VAL 19 HG12 VAL 19 20.542 -7.380 -9.109 130 HG13 VAL 19 HG13 VAL 19 19.127 -7.685 -8.102 131 HG21 VAL 19 HG21 VAL 19 18.635 -5.198 -8.171 132 HG22 VAL 19 HG22 VAL 19 20.073 -5.001 -9.175 133 HG23 VAL 19 HG23 VAL 19 19.899 -4.068 -7.687 134 H PHE 20 H PHE 20 18.381 -4.408 -4.826 135 HA PHE 20 HA PHE 20 15.895 -5.793 -5.048 136 HB2 PHE 20 HB2 PHE 20 16.706 -3.056 -4.124 137 HB3 PHE 20 HB3 PHE 20 15.011 -3.523 -4.254 138 HD1 PHE 20 HD1 PHE 20 18.222 -4.473 -2.646 139 HD2 PHE 20 HD2 PHE 20 13.975 -4.719 -2.545 140 HE1 PHE 20 HE1 PHE 20 18.339 -5.516 -0.422 141 HE2 PHE 20 HE2 PHE 20 14.087 -5.762 -0.318 142 HZ PHE 20 HZ PHE 20 16.271 -6.160 0.744 143 H ASN 21 H ASN 21 14.987 -6.040 -6.971 144 HA ASN 21 HA ASN 21 15.373 -4.018 -9.024 145 HB2 ASN 21 HB2 ASN 21 14.043 -6.719 -9.162 146 HB3 ASN 21 HB3 ASN 21 14.197 -5.619 -10.513 147 HD21 ASN 21 HD21 ASN 21 16.819 -4.690 -9.867 148 HD22 ASN 21 HD22 ASN 21 17.911 -5.980 -10.221 149 H HIS 22 H HIS 22 13.946 -2.613 -9.621 150 HA HIS 22 HA HIS 22 11.162 -3.014 -8.804 151 HB2 HIS 22 HB2 HIS 22 12.270 -1.333 -7.369 152 HB3 HIS 22 HB3 HIS 22 12.659 -0.388 -8.794 153 HD2 HIS 22 HD2 HIS 22 9.498 -1.340 -6.668 154 HE1 HIS 22 HE1 HIS 22 8.582 2.000 -9.111 155 HE2 HIS 22 HE2 HIS 22 7.818 0.556 -7.194 156 H ASP 23 H ASP 23 10.165 -3.439 -10.616 157 HA ASP 23 HA ASP 23 9.366 -3.319 -12.723 158 HB2 ASP 23 HB2 ASP 23 8.929 -0.938 -11.860 159 HB3 ASP 23 HB3 ASP 23 10.315 -0.461 -12.833 160 H GLY 24 H GLY 24 12.141 -4.078 -12.271 161 HA2 GLY 24 HA2 GLY 24 13.536 -5.037 -13.945 162 HA3 GLY 24 HA3 GLY 24 13.052 -3.757 -15.039 163 H GLU 25 H GLU 25 13.633 -2.079 -12.363 164 HA GLU 25 HA GLU 25 16.353 -1.505 -13.245 165 HB2 GLU 25 HB2 GLU 25 14.219 0.080 -11.986 166 HB3 GLU 25 HB3 GLU 25 15.852 0.444 -11.438 167 HG2 GLU 25 HG2 GLU 25 16.549 0.874 -13.698 168 HG3 GLU 25 HG3 GLU 25 14.963 0.405 -14.315 169 H ALA 26 H ALA 26 18.037 -1.191 -11.797 170 HA ALA 26 HA ALA 26 17.883 -3.011 -9.534 171 HB1 ALA 26 HB1 ALA 26 20.248 -1.720 -10.863 172 HB2 ALA 26 HB2 ALA 26 19.643 -3.344 -11.184 173 HB3 ALA 26 HB3 ALA 26 20.312 -2.947 -9.600 174 H TYR 27 H TYR 27 18.098 -2.362 -7.484 175 HA TYR 27 HA TYR 27 18.948 0.381 -6.923 176 HB2 TYR 27 HB2 TYR 27 16.378 -0.907 -5.999 177 HB3 TYR 27 HB3 TYR 27 17.061 0.521 -5.226 178 HD1 TYR 27 HD1 TYR 27 15.263 -0.797 -8.104 179 HD2 TYR 27 HD2 TYR 27 17.089 2.666 -6.449 180 HE1 TYR 27 HE1 TYR 27 14.066 0.605 -9.728 181 HE2 TYR 27 HE2 TYR 27 15.892 4.078 -8.066 182 HH TYR 27 HH TYR 27 13.331 2.873 -10.003 183 H CYS 28 H CYS 28 19.602 0.651 -4.643 184 HA CYS 28 HA CYS 28 21.071 -1.643 -3.808 185 HB2 CYS 28 HB2 CYS 28 21.897 -0.250 -1.991 186 HB3 CYS 28 HB3 CYS 28 21.947 0.643 -3.506 187 H SER 29 H SER 29 18.032 -0.219 -2.903 188 HA SER 29 HA SER 29 17.362 -2.555 -1.403 189 HB2 SER 29 HB2 SER 29 18.717 -1.066 0.194 190 HB3 SER 29 HB3 SER 29 17.343 0.029 0.136 191 HG SER 29 HG SER 29 17.629 -2.287 1.503 192 H GLN 30 H GLN 30 15.182 -2.461 -0.568 193 HA GLN 30 HA GLN 30 13.170 -1.762 -2.276 194 HB2 GLN 30 HB2 GLN 30 13.356 -2.870 0.269 195 HB3 GLN 30 HB3 GLN 30 12.346 -1.461 0.521 196 HG2 GLN 30 HG2 GLN 30 11.767 -3.520 -1.594 197 HG3 GLN 30 HG3 GLN 30 11.181 -3.660 0.057 198 HE21 GLN 30 HE21 GLN 30 10.741 -0.742 0.296 199 HE22 GLN 30 HE22 GLN 30 9.322 -0.415 -0.641 200 H ALA 31 H ALA 31 14.474 0.196 0.378 201 HA ALA 31 HA ALA 31 12.758 2.346 0.442 202 HB1 ALA 31 HB1 ALA 31 15.756 2.422 0.777 203 HB2 ALA 31 HB2 ALA 31 14.597 1.994 2.031 204 HB3 ALA 31 HB3 ALA 31 14.619 3.630 1.371 205 H CYS 32 H CYS 32 15.684 2.080 -1.593 206 HA CYS 32 HA CYS 32 15.091 4.516 -2.985 207 HB2 CYS 32 HB2 CYS 32 17.237 2.493 -3.066 208 HB3 CYS 32 HB3 CYS 32 16.925 3.345 -4.572 209 H ALA 33 H ALA 33 14.391 1.165 -3.424 210 HA ALA 33 HA ALA 33 13.967 1.074 -6.166 211 HB1 ALA 33 HB1 ALA 33 12.627 -0.436 -3.926 212 HB2 ALA 33 HB2 ALA 33 14.021 -0.948 -4.883 213 HB3 ALA 33 HB3 ALA 33 12.431 -0.823 -5.630 214 H GLU 34 H GLU 34 11.748 1.935 -3.527 215 HA GLU 34 HA GLU 34 9.594 2.503 -5.334 216 HB2 GLU 34 HB2 GLU 34 9.903 3.111 -2.406 217 HB3 GLU 34 HB3 GLU 34 8.424 3.320 -3.333 218 HG2 GLU 34 HG2 GLU 34 8.818 0.799 -3.899 219 HG3 GLU 34 HG3 GLU 34 9.769 0.849 -2.423 220 H GLN 35 H GLN 35 12.346 4.090 -4.996 221 HA GLN 35 HA GLN 35 13.087 6.175 -5.476 222 HB2 GLN 35 HB2 GLN 35 10.285 6.592 -6.508 223 HB3 GLN 35 HB3 GLN 35 11.707 7.537 -6.933 224 HG2 GLN 35 HG2 GLN 35 12.712 5.615 -7.995 225 HG3 GLN 35 HG3 GLN 35 11.371 4.602 -7.482 226 HE21 GLN 35 HE21 GLN 35 10.857 7.855 -8.557 227 HE22 GLN 35 HE22 GLN 35 10.097 7.457 -10.053 228 H HIS 36 H HIS 36 12.111 5.722 -2.870 229 HA HIS 36 HA HIS 36 11.628 6.798 -0.927 230 HB2 HIS 36 HB2 HIS 36 12.183 9.340 -2.457 231 HB3 HIS 36 HB3 HIS 36 12.243 9.133 -0.708 232 HD1 HIS 36 HD1 HIS 36 14.258 7.582 0.171 233 HD2 HIS 36 HD2 HIS 36 14.449 8.783 -3.792 234 HE1 HIS 36 HE1 HIS 36 16.635 7.207 -0.532 235 HA PRO 37 HA PRO 37 7.388 7.717 -2.468 236 HB2 PRO 37 HB2 PRO 37 6.126 6.008 -0.774 237 HB3 PRO 37 HB3 PRO 37 6.773 5.513 -2.335 238 HG2 PRO 37 HG2 PRO 37 7.890 5.124 0.393 239 HG3 PRO 37 HG3 PRO 37 7.951 4.044 -1.010 240 HD2 PRO 37 HD2 PRO 37 10.044 5.622 -0.180 241 HD3 PRO 37 HD3 PRO 37 9.833 5.045 -1.842 242 H ASN 38 H ASN 38 8.541 7.334 0.834 243 HA ASN 38 HA ASN 38 6.639 9.408 1.689 244 HB2 ASN 38 HB2 ASN 38 8.146 7.655 3.603 245 HB3 ASN 38 HB3 ASN 38 6.597 8.461 3.821 246 HD21 ASN 38 HD21 ASN 38 4.820 7.642 2.466 247 HD22 ASN 38 HD22 ASN 38 4.731 5.935 2.189 248 H GLY 39 H GLY 39 9.426 9.463 0.441 249 HA2 GLY 39 HA2 GLY 39 11.229 10.909 0.568 250 HA3 GLY 39 HA3 GLY 39 10.464 11.653 1.968 251 H GLU 40 H GLU 40 10.901 8.274 2.010 252 HA GLU 40 HA GLU 40 12.721 8.484 4.245 253 HB2 GLU 40 HB2 GLU 40 10.607 6.836 3.614 254 HB3 GLU 40 HB3 GLU 40 11.999 5.813 3.296 255 HG2 GLU 40 HG2 GLU 40 12.737 5.948 5.513 256 HG3 GLU 40 HG3 GLU 40 11.674 7.309 5.868 257 HA PRO 41 HA PRO 41 16.231 7.820 1.551 258 HB2 PRO 41 HB2 PRO 41 18.114 7.613 3.467 259 HB3 PRO 41 HB3 PRO 41 17.354 9.152 3.044 260 HG2 PRO 41 HG2 PRO 41 16.729 7.299 5.316 261 HG3 PRO 41 HG3 PRO 41 16.909 9.064 5.337 262 HD2 PRO 41 HD2 PRO 41 14.495 7.847 5.281 263 HD3 PRO 41 HD3 PRO 41 14.790 9.412 4.494 264 H CYS 42 H CYS 42 18.171 6.254 1.439 265 HA CYS 42 HA CYS 42 17.174 3.569 1.649 266 HB2 CYS 42 HB2 CYS 42 19.152 2.913 0.449 267 HB3 CYS 42 HB3 CYS 42 18.627 4.436 -0.246 268 HA PRO 43 HA PRO 43 18.655 2.219 5.547 269 HB2 PRO 43 HB2 PRO 43 19.955 -0.131 4.969 270 HB3 PRO 43 HB3 PRO 43 18.196 0.070 5.021 271 HG2 PRO 43 HG2 PRO 43 20.019 0.169 2.646 272 HG3 PRO 43 HG3 PRO 43 18.500 -0.726 2.849 273 HD2 PRO 43 HD2 PRO 43 18.503 1.552 1.531 274 HD3 PRO 43 HD3 PRO 43 17.201 1.210 2.687 275 H ALA 44 H ALA 44 21.020 3.221 3.314 276 HA ALA 44 HA ALA 44 23.346 2.500 4.859 277 HB1 ALA 44 HB1 ALA 44 23.516 2.804 2.442 278 HB2 ALA 44 HB2 ALA 44 24.560 3.952 3.283 279 HB3 ALA 44 HB3 ALA 44 23.019 4.487 2.608 280 HA PRO 45 HA PRO 45 22.779 5.867 7.707 281 HB2 PRO 45 HB2 PRO 45 24.972 5.566 9.214 282 HB3 PRO 45 HB3 PRO 45 23.668 4.373 9.241 283 HG2 PRO 45 HG2 PRO 45 26.285 4.284 7.785 284 HG3 PRO 45 HG3 PRO 45 25.472 3.002 8.698 285 HD2 PRO 45 HD2 PRO 45 25.382 3.229 5.963 286 HD3 PRO 45 HD3 PRO 45 24.118 2.443 6.928 287 H ASP 46 H ASP 46 25.485 5.642 5.593 288 HA ASP 46 HA ASP 46 26.416 8.318 6.308 289 HB2 ASP 46 HB2 ASP 46 28.090 6.526 6.056 290 HB3 ASP 46 HB3 ASP 46 27.596 6.308 4.383 291 H CYS 47 H CYS 47 24.242 6.929 4.267 292 HA CYS 47 HA CYS 47 24.707 8.738 2.045 293 HB2 CYS 47 HB2 CYS 47 23.922 6.226 1.990 294 HB3 CYS 47 HB3 CYS 47 22.335 6.952 2.236 295 H HIS 48 H HIS 48 23.058 10.242 1.337 296 HA HIS 48 HA HIS 48 21.161 10.941 3.457 297 HB2 HIS 48 HB2 HIS 48 23.103 12.835 2.147 298 HB3 HIS 48 HB3 HIS 48 21.707 13.368 3.074 299 HD1 HIS 48 HD1 HIS 48 21.903 13.336 5.609 300 HD2 HIS 48 HD2 HIS 48 25.124 11.530 3.701 301 HE1 HIS 48 HE1 HIS 48 23.632 12.960 7.395 302 HE2 HIS 48 HE2 HIS 48 25.477 11.698 6.245 303 H CYS 49 H CYS 49 20.948 9.740 0.679 304 HA CYS 49 HA CYS 49 19.657 11.751 -0.911 305 HB2 CYS 49 HB2 CYS 49 19.147 9.908 -2.431 306 HB3 CYS 49 HB3 CYS 49 20.823 9.818 -1.908 307 H GLU 50 H GLU 50 17.507 12.220 -1.028 308 HA GLU 50 HA GLU 50 15.362 10.581 -0.308 309 HB2 GLU 50 HB2 GLU 50 14.676 11.505 1.858 310 HB3 GLU 50 HB3 GLU 50 16.234 10.697 1.970 311 HG2 GLU 50 HG2 GLU 50 17.322 12.934 1.774 312 HG3 GLU 50 HG3 GLU 50 15.719 13.658 1.885 313 H ARG 51 H ARG 51 16.633 13.840 -0.507 314 HA ARG 51 HA ARG 51 13.957 14.908 -0.979 315 HB2 ARG 51 HB2 ARG 51 15.017 17.118 -0.740 316 HB3 ARG 51 HB3 ARG 51 15.238 16.098 0.673 317 HG2 ARG 51 HG2 ARG 51 17.485 15.653 -0.936 318 HG3 ARG 51 HG3 ARG 51 17.202 17.392 -0.983 319 HD2 ARG 51 HD2 ARG 51 17.566 15.666 1.471 320 HD3 ARG 51 HD3 ARG 51 18.669 16.901 0.870 321 HE ARG 51 HE ARG 51 16.605 18.420 1.304 322 HH11 ARG 51 HH11 ARG 51 17.714 15.753 3.303 323 HH12 ARG 51 HH12 ARG 51 17.042 16.395 4.759 324 HH21 ARG 51 HH21 ARG 51 15.725 19.281 3.253 325 HH22 ARG 51 HH22 ARG 51 15.912 18.403 4.732 326 H SER 52 H SER 52 15.000 13.293 -2.986 327 HA SER 52 HA SER 52 16.108 14.942 -5.047 328 HB2 SER 52 HB2 SER 52 15.737 12.825 -6.414 329 HB3 SER 52 HB3 SER 52 16.824 12.703 -5.028 330 HG SER 52 HG SER 52 15.206 10.988 -5.249 331 H GLY 53 H GLY 53 12.961 13.418 -4.421 332 HA2 GLY 53 HA2 GLY 53 10.850 14.080 -5.101 333 HA3 GLY 53 HA3 GLY 53 11.581 15.487 -5.866 334 H LYS 54 H LYS 54 11.975 15.465 -8.021 335 HA LYS 54 HA LYS 54 11.670 12.905 -9.396 336 HB2 LYS 54 HB2 LYS 54 10.213 13.716 -11.041 337 HB3 LYS 54 HB3 LYS 54 9.584 14.440 -9.573 338 HG2 LYS 54 HG2 LYS 54 11.445 15.908 -11.426 339 HG3 LYS 54 HG3 LYS 54 9.699 15.899 -11.649 340 HD2 LYS 54 HD2 LYS 54 9.376 16.948 -9.501 341 HD3 LYS 54 HD3 LYS 54 11.101 16.823 -9.141 342 HE2 LYS 54 HE2 LYS 54 11.592 18.283 -11.040 343 HE3 LYS 54 HE3 LYS 54 9.869 18.418 -11.381 344 HZ1 LYS 54 HZ1 LYS 54 11.197 19.307 -8.884 345 HZ2 LYS 54 HZ2 LYS 54 9.557 19.478 -9.254 346 HZ3 LYS 54 HZ3 LYS 54 10.720 20.315 -10.153 347 H VAL 55 H VAL 55 13.036 12.560 -11.082 348 HA VAL 55 HA VAL 55 15.387 14.193 -11.136 349 HB VAL 55 HB VAL 55 14.656 11.836 -12.895 350 HG11 VAL 55 HG11 VAL 55 16.411 13.207 -13.880 351 HG12 VAL 55 HG12 VAL 55 17.066 11.669 -13.318 352 HG13 VAL 55 HG13 VAL 55 17.329 13.136 -12.376 353 HG21 VAL 55 HG21 VAL 55 16.282 11.947 -10.354 354 HG22 VAL 55 HG22 VAL 55 16.069 10.523 -11.373 355 HG23 VAL 55 HG23 VAL 55 14.685 11.224 -10.535 356 H GLY 56 H GLY 56 12.827 13.415 -13.472 357 HA2 GLY 56 HA2 GLY 56 12.848 15.985 -14.603 358 HA3 GLY 56 HA3 GLY 56 13.830 14.919 -15.596 359 H GLY 57 H GLY 57 12.797 12.940 -16.387 360 HA2 GLY 57 HA2 GLY 57 11.056 11.838 -17.430 361 HA3 GLY 57 HA3 GLY 57 9.945 12.735 -16.400 362 H ARG 58 H ARG 58 8.859 14.400 -17.208 363 HA ARG 58 HA ARG 58 7.996 15.911 -18.627 364 HB2 ARG 58 HB2 ARG 58 10.099 17.072 -18.281 365 HB3 ARG 58 HB3 ARG 58 10.841 16.161 -19.590 366 HG2 ARG 58 HG2 ARG 58 9.258 17.171 -21.172 367 HG3 ARG 58 HG3 ARG 58 8.565 18.112 -19.850 368 HD2 ARG 58 HD2 ARG 58 11.416 18.245 -20.817 369 HD3 ARG 58 HD3 ARG 58 10.155 19.426 -21.157 370 HE ARG 58 HE ARG 58 11.149 18.862 -18.439 371 HH11 ARG 58 HH11 ARG 58 10.090 21.138 -20.910 372 HH12 ARG 58 HH12 ARG 58 10.294 22.523 -19.899 373 HH21 ARG 58 HH21 ARG 58 11.412 20.718 -17.099 374 HH22 ARG 58 HH22 ARG 58 11.046 22.284 -17.732 375 H ASP 59 H ASP 59 6.606 15.075 -19.977 376 HA ASP 59 HA ASP 59 7.298 13.370 -22.159 377 HB2 ASP 59 HB2 ASP 59 4.766 14.788 -21.351 378 HB3 ASP 59 HB3 ASP 59 4.875 13.877 -22.849 379 H ILE 60 H ILE 60 7.191 13.874 -24.381 380 HA ILE 60 HA ILE 60 7.991 16.601 -24.909 381 HB ILE 60 HB ILE 60 7.938 14.230 -26.790 382 HG12 ILE 60 HG12 ILE 60 10.217 15.514 -25.258 383 HG13 ILE 60 HG13 ILE 60 9.525 13.928 -24.942 384 HG21 ILE 60 HG21 ILE 60 9.146 16.981 -27.099 385 HG22 ILE 60 HG22 ILE 60 7.778 16.331 -28.001 386 HG23 ILE 60 HG23 ILE 60 9.387 15.639 -28.214 387 HD11 ILE 60 HD11 ILE 60 11.625 13.736 -26.123 388 HD12 ILE 60 HD12 ILE 60 11.011 14.759 -27.421 389 HD13 ILE 60 HD13 ILE 60 10.299 13.173 -27.139 390 H THR 61 H THR 61 6.169 17.758 -24.771 391 HA THR 61 HA THR 61 3.894 17.110 -26.448 392 HB THR 61 HB THR 61 4.301 19.455 -24.575 393 HG1 THR 61 HG1 THR 61 3.089 16.899 -24.193 394 HG21 THR 61 HG21 THR 61 1.859 19.640 -24.654 395 HG22 THR 61 HG22 THR 61 1.782 18.286 -25.781 396 HG23 THR 61 HG23 THR 61 2.542 19.799 -26.272 397 H ASN 62 H ASN 62 4.031 17.689 -28.520 398 HA ASN 62 HA ASN 62 4.848 20.417 -29.177 399 HB2 ASN 62 HB2 ASN 62 6.841 19.002 -29.562 400 HB3 ASN 62 HB3 ASN 62 5.894 17.975 -30.632 401 HD21 ASN 62 HD21 ASN 62 7.433 21.063 -30.244 402 HD22 ASN 62 HD22 ASN 62 7.358 21.531 -31.905 403 H ASN 63 H ASN 63 3.333 21.327 -30.417 404 HA ASN 63 HA ASN 63 1.570 19.551 -31.984 405 HB2 ASN 63 HB2 ASN 63 0.779 21.890 -30.252 406 HB3 ASN 63 HB3 ASN 63 -0.289 21.155 -31.441 407 HD21 ASN 63 HD21 ASN 63 -1.112 19.108 -31.064 408 HD22 ASN 63 HD22 ASN 63 -1.050 18.360 -29.503 409 H GLN 64 H GLN 64 0.861 20.238 -33.911 410 HA GLN 64 HA GLN 64 2.320 22.364 -35.207 411 HB2 GLN 64 HB2 GLN 64 0.101 20.540 -36.160 412 HB3 GLN 64 HB3 GLN 64 0.917 21.711 -37.181 413 HG2 GLN 64 HG2 GLN 64 2.241 19.393 -35.801 414 HG3 GLN 64 HG3 GLN 64 1.745 19.431 -37.493 415 HE21 GLN 64 HE21 GLN 64 2.855 20.756 -38.932 416 HE22 GLN 64 HE22 GLN 64 4.425 21.379 -38.568 417 H LEU 65 H LEU 65 -0.707 21.833 -33.716 418 HA LEU 65 HA LEU 65 -1.944 24.158 -34.949 419 HB2 LEU 65 HB2 LEU 65 -3.073 22.265 -32.897 420 HB3 LEU 65 HB3 LEU 65 -3.965 23.436 -33.848 421 HG LEU 65 HG LEU 65 -2.555 21.005 -34.942 422 HD11 LEU 65 HD11 LEU 65 -4.811 20.163 -35.375 423 HD12 LEU 65 HD12 LEU 65 -5.484 21.561 -34.537 424 HD13 LEU 65 HD13 LEU 65 -4.505 20.391 -33.654 425 HD21 LEU 65 HD21 LEU 65 -4.294 23.060 -36.302 426 HD22 LEU 65 HD22 LEU 65 -3.717 21.565 -37.037 427 HD23 LEU 65 HD23 LEU 65 -2.565 22.809 -36.555 428 H ASP 66 H ASP 66 -2.639 25.931 -33.854 429 HA ASP 66 HA ASP 66 -2.816 27.544 -32.302 430 HB2 ASP 66 HB2 ASP 66 -3.767 25.895 -30.797 431 HB3 ASP 66 HB3 ASP 66 -2.154 25.397 -30.290 432 H GLU 67 H GLU 67 -1.491 29.144 -32.194 433 HA GLU 67 HA GLU 67 1.158 28.769 -31.025 434 HB2 GLU 67 HB2 GLU 67 2.115 30.297 -32.750 435 HB3 GLU 67 HB3 GLU 67 1.570 28.763 -33.409 436 HG2 GLU 67 HG2 GLU 67 -0.402 29.783 -34.309 437 HG3 GLU 67 HG3 GLU 67 -0.031 31.308 -33.510 438 H ALA 68 H ALA 68 1.970 30.657 -29.987 439 HA ALA 68 HA ALA 68 0.301 33.031 -29.941 440 HB1 ALA 68 HB1 ALA 68 -0.762 31.592 -28.259 441 HB2 ALA 68 HB2 ALA 68 -0.040 33.027 -27.532 442 HB3 ALA 68 HB3 ALA 68 0.775 31.468 -27.403 443 H LEU 69 H LEU 69 2.295 33.813 -30.904 444 HA LEU 69 HA LEU 69 4.145 34.683 -28.812 445 HB2 LEU 69 HB2 LEU 69 5.037 33.596 -31.484 446 HB3 LEU 69 HB3 LEU 69 6.079 34.379 -30.317 447 HG LEU 69 HG LEU 69 5.219 32.428 -28.759 448 HD11 LEU 69 HD11 LEU 69 4.982 31.249 -31.521 449 HD12 LEU 69 HD12 LEU 69 3.667 31.485 -30.371 450 HD13 LEU 69 HD13 LEU 69 4.962 30.345 -30.008 451 HD21 LEU 69 HD21 LEU 69 7.539 32.887 -29.333 452 HD22 LEU 69 HD22 LEU 69 7.322 32.079 -30.886 453 HD23 LEU 69 HD23 LEU 69 7.202 31.157 -29.387 454 H GLU 70 H GLU 70 4.823 36.745 -29.017 455 HA GLU 70 HA GLU 70 4.531 38.116 -31.537 456 HB2 GLU 70 HB2 GLU 70 2.309 38.375 -30.478 457 HB3 GLU 70 HB3 GLU 70 3.079 39.110 -29.080 458 HG2 GLU 70 HG2 GLU 70 3.797 40.984 -30.377 459 HG3 GLU 70 HG3 GLU 70 3.250 40.220 -31.867 460 H GLU 71 H GLU 71 6.771 38.110 -31.341 461 HA GLU 71 HA GLU 71 7.880 39.896 -29.294 462 HB2 GLU 71 HB2 GLU 71 9.217 37.852 -31.077 463 HB3 GLU 71 HB3 GLU 71 10.075 38.913 -29.970 464 HG2 GLU 71 HG2 GLU 71 7.950 36.984 -29.080 465 HG3 GLU 71 HG3 GLU 71 9.661 36.572 -29.159 466 H THR 72 H THR 72 6.477 40.484 -31.956 467 HA THR 72 HA THR 72 8.337 41.559 -33.760 468 HB THR 72 HB THR 72 6.322 43.013 -34.442 469 HG1 THR 72 HG1 THR 72 5.165 42.892 -32.485 470 HG21 THR 72 HG21 THR 72 6.931 40.938 -35.601 471 HG22 THR 72 HG22 THR 72 5.179 41.092 -35.475 472 HG23 THR 72 HG23 THR 72 6.048 40.001 -34.396 473 H PHE 73 H PHE 73 9.764 43.091 -33.329 474 HA PHE 73 HA PHE 73 10.826 44.864 -32.435 475 HB2 PHE 73 HB2 PHE 73 8.026 45.980 -32.087 476 HB3 PHE 73 HB3 PHE 73 9.513 46.909 -31.922 477 HD1 PHE 73 HD1 PHE 73 7.018 45.700 -34.170 478 HD2 PHE 73 HD2 PHE 73 11.036 47.080 -33.948 479 HE1 PHE 73 HE1 PHE 73 6.992 46.150 -36.585 480 HE2 PHE 73 HE2 PHE 73 11.017 47.535 -36.363 481 HZ PHE 73 HZ PHE 73 8.993 47.070 -37.684 482 HA PRO 74 HA PRO 74 10.127 43.154 -28.289 483 HB2 PRO 74 HB2 PRO 74 12.593 42.250 -27.856 484 HB3 PRO 74 HB3 PRO 74 11.497 41.411 -28.962 485 HG2 PRO 74 HG2 PRO 74 13.773 43.251 -29.582 486 HG3 PRO 74 HG3 PRO 74 13.284 41.758 -30.401 487 HD2 PRO 74 HD2 PRO 74 12.657 44.329 -31.251 488 HD3 PRO 74 HD3 PRO 74 11.795 42.855 -31.734 489 H ALA 75 H ALA 75 11.827 43.313 -26.308 490 HA ALA 75 HA ALA 75 11.937 46.048 -25.627 491 HB1 ALA 75 HB1 ALA 75 13.232 43.680 -24.275 492 HB2 ALA 75 HB2 ALA 75 11.612 44.296 -23.949 493 HB3 ALA 75 HB3 ALA 75 13.024 45.282 -23.569 494 H SER 76 H SER 76 13.343 47.440 -26.411 495 HA SER 76 HA SER 76 15.230 48.429 -27.143 496 HB2 SER 76 HB2 SER 76 16.690 46.148 -25.790 497 HB3 SER 76 HB3 SER 76 17.393 47.688 -26.285 498 HG SER 76 HG SER 76 15.168 47.802 -24.623 499 H ASP 77 H ASP 77 14.673 48.055 -29.302 500 HA ASP 77 HA ASP 77 15.330 45.711 -30.724 501 HB2 ASP 77 HB2 ASP 77 14.866 46.987 -32.743 502 HB3 ASP 77 HB3 ASP 77 13.669 47.385 -31.520 503 HA PRO 78 HA PRO 78 19.663 46.130 -31.261 504 HB2 PRO 78 HB2 PRO 78 20.064 44.747 -33.544 505 HB3 PRO 78 HB3 PRO 78 19.590 43.959 -32.034 506 HG2 PRO 78 HG2 PRO 78 17.901 44.723 -34.382 507 HG3 PRO 78 HG3 PRO 78 17.875 43.231 -33.423 508 HD2 PRO 78 HD2 PRO 78 16.096 45.263 -33.072 509 HD3 PRO 78 HD3 PRO 78 16.598 44.174 -31.765 510 H ILE 79 H ILE 79 21.319 47.089 -32.518 511 HA ILE 79 HA ILE 79 20.536 49.452 -33.875 512 HB ILE 79 HB ILE 79 22.921 49.796 -34.324 513 HG12 ILE 79 HG12 ILE 79 23.332 47.071 -33.064 514 HG13 ILE 79 HG13 ILE 79 23.481 47.412 -34.784 515 HG21 ILE 79 HG21 ILE 79 22.299 48.840 -31.534 516 HG22 ILE 79 HG22 ILE 79 22.063 50.467 -32.172 517 HG23 ILE 79 HG23 ILE 79 23.693 49.823 -31.977 518 HD11 ILE 79 HD11 ILE 79 25.178 48.587 -32.594 519 HD12 ILE 79 HD12 ILE 79 25.331 48.937 -34.316 520 HD13 ILE 79 HD13 ILE 79 25.655 47.310 -33.712 521 H SER 80 H SER 80 21.100 50.092 -35.986 522 HA SER 80 HA SER 80 20.261 48.285 -37.980 523 HB2 SER 80 HB2 SER 80 21.566 51.005 -38.168 524 HB3 SER 80 HB3 SER 80 20.753 50.179 -39.502 525 HG SER 80 HG SER 80 18.826 50.399 -38.466 526 HA PRO 81 HA PRO 81 24.060 46.436 -39.360 527 HB2 PRO 81 HB2 PRO 81 23.436 46.979 -42.178 528 HB3 PRO 81 HB3 PRO 81 23.502 45.433 -41.328 529 HG2 PRO 81 HG2 PRO 81 21.172 46.491 -42.152 530 HG3 PRO 81 HG3 PRO 81 21.297 45.561 -40.648 531 HD2 PRO 81 HD2 PRO 81 21.227 48.530 -41.038 532 HD3 PRO 81 HD3 PRO 81 20.363 47.530 -39.850 Start of MODEL 14 1 HA ASN 1 HA ASN 1 2.426 -4.552 -6.824 2 HB2 ASN 1 HB2 ASN 1 2.010 -6.845 -7.654 3 HB3 ASN 1 HB3 ASN 1 3.746 -7.104 -7.786 4 HD21 ASN 1 HD21 ASN 1 3.762 -8.796 -6.354 5 HD22 ASN 1 HD22 ASN 1 3.504 -8.598 -4.659 6 H GLU 2 H GLU 2 5.448 -5.535 -8.373 7 HA GLU 2 HA GLU 2 7.043 -5.007 -6.069 8 HB2 GLU 2 HB2 GLU 2 7.665 -6.655 -7.799 9 HB3 GLU 2 HB3 GLU 2 7.844 -5.352 -8.962 10 HG2 GLU 2 HG2 GLU 2 9.683 -4.432 -7.693 11 HG3 GLU 2 HG3 GLU 2 9.475 -5.674 -6.459 12 H LEU 3 H LEU 3 8.333 -3.228 -5.620 13 HA LEU 3 HA LEU 3 7.488 -0.813 -6.983 14 HB2 LEU 3 HB2 LEU 3 8.638 -1.387 -4.305 15 HB3 LEU 3 HB3 LEU 3 8.923 0.194 -5.002 16 HG LEU 3 HG LEU 3 6.992 0.175 -3.472 17 HD11 LEU 3 HD11 LEU 3 6.201 0.638 -6.341 18 HD12 LEU 3 HD12 LEU 3 7.089 1.774 -5.327 19 HD13 LEU 3 HD13 LEU 3 5.434 1.331 -4.912 20 HD21 LEU 3 HD21 LEU 3 4.943 -0.968 -4.074 21 HD22 LEU 3 HD22 LEU 3 6.262 -2.131 -3.895 22 HD23 LEU 3 HD23 LEU 3 5.726 -1.645 -5.503 23 H ARG 4 H ARG 4 8.894 0.780 -7.613 24 HA ARG 4 HA ARG 4 11.507 -0.242 -8.542 25 HB2 ARG 4 HB2 ARG 4 9.483 0.414 -10.150 26 HB3 ARG 4 HB3 ARG 4 10.077 2.039 -9.867 27 HG2 ARG 4 HG2 ARG 4 11.167 1.480 -11.798 28 HG3 ARG 4 HG3 ARG 4 12.365 1.019 -10.591 29 HD2 ARG 4 HD2 ARG 4 11.575 -1.311 -10.721 30 HD3 ARG 4 HD3 ARG 4 10.408 -0.840 -11.960 31 HE ARG 4 HE ARG 4 12.799 0.015 -12.936 32 HH11 ARG 4 HH11 ARG 4 11.593 -3.079 -11.827 33 HH12 ARG 4 HH12 ARG 4 12.621 -4.007 -12.861 34 HH21 ARG 4 HH21 ARG 4 14.193 -1.196 -14.292 35 HH22 ARG 4 HH22 ARG 4 14.123 -2.922 -14.281 36 H CYS 5 H CYS 5 13.300 1.228 -8.361 37 HA CYS 5 HA CYS 5 12.946 3.249 -6.313 38 HB2 CYS 5 HB2 CYS 5 14.893 1.781 -6.159 39 HB3 CYS 5 HB3 CYS 5 15.454 2.319 -7.732 40 H GLY 6 H GLY 6 13.160 5.421 -6.530 41 HA2 GLY 6 HA2 GLY 6 12.598 6.523 -9.083 42 HA3 GLY 6 HA3 GLY 6 12.881 7.418 -7.602 43 H CYS 7 H CYS 7 15.605 5.777 -7.604 44 HA CYS 7 HA CYS 7 17.004 7.865 -9.039 45 HB2 CYS 7 HB2 CYS 7 17.907 7.273 -6.867 46 HB3 CYS 7 HB3 CYS 7 18.060 5.588 -7.344 47 HA PRO 8 HA PRO 8 17.047 5.296 -12.704 48 HB2 PRO 8 HB2 PRO 8 18.527 7.056 -14.193 49 HB3 PRO 8 HB3 PRO 8 16.785 7.187 -13.939 50 HG2 PRO 8 HG2 PRO 8 19.008 8.607 -12.527 51 HG3 PRO 8 HG3 PRO 8 17.470 9.257 -13.125 52 HD2 PRO 8 HD2 PRO 8 17.844 8.680 -10.542 53 HD3 PRO 8 HD3 PRO 8 16.274 8.414 -11.330 54 H ASP 9 H ASP 9 19.859 6.722 -11.165 55 HA ASP 9 HA ASP 9 21.741 5.088 -12.632 56 HB2 ASP 9 HB2 ASP 9 22.032 7.049 -10.360 57 HB3 ASP 9 HB3 ASP 9 23.382 6.081 -10.935 58 H CYS 10 H CYS 10 19.801 4.723 -9.905 59 HA CYS 10 HA CYS 10 21.596 2.949 -8.491 60 HB2 CYS 10 HB2 CYS 10 20.245 4.408 -7.166 61 HB3 CYS 10 HB3 CYS 10 18.778 3.845 -7.959 62 H HIS 11 H HIS 11 21.324 0.757 -8.192 63 HA HIS 11 HA HIS 11 19.266 -0.550 -9.852 64 HB2 HIS 11 HB2 HIS 11 22.103 -1.485 -9.369 65 HB3 HIS 11 HB3 HIS 11 20.862 -2.445 -10.162 66 HD2 HIS 11 HD2 HIS 11 22.358 1.150 -10.865 67 HE1 HIS 11 HE1 HIS 11 21.863 -0.928 -14.526 68 HE2 HIS 11 HE2 HIS 11 22.463 1.263 -13.448 69 H CYS 12 H CYS 12 17.826 -0.810 -8.147 70 HA CYS 12 HA CYS 12 18.533 -2.953 -6.287 71 HB2 CYS 12 HB2 CYS 12 17.742 -0.191 -5.478 72 HB3 CYS 12 HB3 CYS 12 17.140 -1.537 -4.522 73 H LYS 13 H LYS 13 16.659 -3.883 -5.179 74 HA LYS 13 HA LYS 13 14.257 -3.808 -6.866 75 HB2 LYS 13 HB2 LYS 13 15.157 -5.955 -4.923 76 HB3 LYS 13 HB3 LYS 13 13.780 -6.046 -6.006 77 HG2 LYS 13 HG2 LYS 13 15.262 -6.057 -7.929 78 HG3 LYS 13 HG3 LYS 13 16.662 -5.880 -6.873 79 HD2 LYS 13 HD2 LYS 13 16.626 -8.175 -7.333 80 HD3 LYS 13 HD3 LYS 13 15.837 -8.066 -5.763 81 HE2 LYS 13 HE2 LYS 13 14.399 -8.247 -8.419 82 HE3 LYS 13 HE3 LYS 13 14.693 -9.608 -7.345 83 HZ1 LYS 13 HZ1 LYS 13 12.521 -8.914 -6.912 84 HZ2 LYS 13 HZ2 LYS 13 12.913 -7.283 -6.917 85 HZ3 LYS 13 HZ3 LYS 13 13.407 -8.263 -5.627 86 H VAL 14 H VAL 14 12.852 -2.430 -5.960 87 HA VAL 14 HA VAL 14 12.864 -2.007 -3.096 88 HB VAL 14 HB VAL 14 11.022 -0.733 -5.127 89 HG11 VAL 14 HG11 VAL 14 11.923 0.152 -2.399 90 HG12 VAL 14 HG12 VAL 14 10.326 -0.477 -2.813 91 HG13 VAL 14 HG13 VAL 14 10.880 1.059 -3.489 92 HG21 VAL 14 HG21 VAL 14 13.295 -0.324 -5.835 93 HG22 VAL 14 HG22 VAL 14 13.745 0.164 -4.202 94 HG23 VAL 14 HG23 VAL 14 12.628 1.155 -5.138 95 H ASP 15 H ASP 15 11.590 -2.973 -1.693 96 HA ASP 15 HA ASP 15 9.478 -4.752 -2.602 97 HB2 ASP 15 HB2 ASP 15 10.880 -4.331 0.018 98 HB3 ASP 15 HB3 ASP 15 9.400 -5.267 -0.075 99 HA PRO 16 HA PRO 16 6.092 -1.962 -1.885 100 HB2 PRO 16 HB2 PRO 16 4.774 -4.434 -0.878 101 HB3 PRO 16 HB3 PRO 16 4.206 -3.262 -2.071 102 HG2 PRO 16 HG2 PRO 16 5.146 -5.638 -2.825 103 HG3 PRO 16 HG3 PRO 16 5.472 -4.177 -3.774 104 HD2 PRO 16 HD2 PRO 16 7.280 -5.719 -1.988 105 HD3 PRO 16 HD3 PRO 16 7.652 -4.797 -3.457 106 H GLU 17 H GLU 17 6.949 -4.331 0.633 107 HA GLU 17 HA GLU 17 5.507 -2.857 2.647 108 HB2 GLU 17 HB2 GLU 17 7.252 -5.304 2.785 109 HB3 GLU 17 HB3 GLU 17 6.631 -4.524 4.232 110 HG2 GLU 17 HG2 GLU 17 4.339 -4.856 3.397 111 HG3 GLU 17 HG3 GLU 17 4.991 -5.702 1.998 112 H ARG 18 H ARG 18 8.547 -2.470 1.262 113 HA ARG 18 HA ARG 18 9.349 -0.804 3.533 114 HB2 ARG 18 HB2 ARG 18 11.104 -2.828 2.155 115 HB3 ARG 18 HB3 ARG 18 11.735 -1.536 3.164 116 HG2 ARG 18 HG2 ARG 18 10.443 -2.416 5.063 117 HG3 ARG 18 HG3 ARG 18 9.883 -3.741 4.040 118 HD2 ARG 18 HD2 ARG 18 12.209 -4.431 3.695 119 HD3 ARG 18 HD3 ARG 18 12.744 -3.129 4.755 120 HE ARG 18 HE ARG 18 11.086 -4.427 6.368 121 HH11 ARG 18 HH11 ARG 18 13.558 -5.684 4.216 122 HH12 ARG 18 HH12 ARG 18 13.919 -7.042 5.223 123 HH21 ARG 18 HH21 ARG 18 11.541 -6.218 7.677 124 HH22 ARG 18 HH22 ARG 18 12.753 -7.359 7.204 125 H VAL 19 H VAL 19 8.180 -0.177 0.966 126 HA VAL 19 HA VAL 19 10.324 1.000 -0.555 127 HB VAL 19 HB VAL 19 8.503 0.254 -1.929 128 HG11 VAL 19 HG11 VAL 19 6.212 1.069 -1.671 129 HG12 VAL 19 HG12 VAL 19 6.691 1.975 -0.235 130 HG13 VAL 19 HG13 VAL 19 6.748 0.210 -0.226 131 HG21 VAL 19 HG21 VAL 19 8.344 3.249 -1.672 132 HG22 VAL 19 HG22 VAL 19 7.799 2.298 -3.053 133 HG23 VAL 19 HG23 VAL 19 9.512 2.345 -2.633 134 H PHE 20 H PHE 20 11.243 2.831 -0.055 135 HA PHE 20 HA PHE 20 10.038 4.612 1.834 136 HB2 PHE 20 HB2 PHE 20 12.647 4.542 0.359 137 HB3 PHE 20 HB3 PHE 20 12.164 5.958 1.289 138 HD1 PHE 20 HD1 PHE 20 12.912 2.344 1.524 139 HD2 PHE 20 HD2 PHE 20 12.358 6.000 3.622 140 HE1 PHE 20 HE1 PHE 20 13.783 1.294 3.572 141 HE2 PHE 20 HE2 PHE 20 13.226 4.966 5.673 142 HZ PHE 20 HZ PHE 20 13.942 2.605 5.652 143 H ASN 21 H ASN 21 8.427 5.826 1.125 144 HA ASN 21 HA ASN 21 8.455 6.801 -1.597 145 HB2 ASN 21 HB2 ASN 21 6.395 7.056 0.590 146 HB3 ASN 21 HB3 ASN 21 6.222 7.768 -1.004 147 HD21 ASN 21 HD21 ASN 21 7.477 5.620 -2.419 148 HD22 ASN 21 HD22 ASN 21 6.382 4.284 -2.400 149 H HIS 22 H HIS 22 8.682 8.823 -2.230 150 HA HIS 22 HA HIS 22 8.959 10.927 -0.252 151 HB2 HIS 22 HB2 HIS 22 11.226 10.019 -0.509 152 HB3 HIS 22 HB3 HIS 22 11.126 10.238 -2.245 153 HD2 HIS 22 HD2 HIS 22 11.881 12.308 0.937 154 HE1 HIS 22 HE1 HIS 22 12.228 14.877 -2.415 155 HE2 HIS 22 HE2 HIS 22 12.811 14.530 0.007 156 H ASP 23 H ASP 23 7.680 12.475 -0.959 157 HA ASP 23 HA ASP 23 6.609 13.978 -2.276 158 HB2 ASP 23 HB2 ASP 23 9.021 14.513 -2.823 159 HB3 ASP 23 HB3 ASP 23 8.834 13.538 -4.275 160 H GLY 24 H GLY 24 6.103 11.078 -2.610 161 HA2 GLY 24 HA2 GLY 24 4.299 10.107 -3.781 162 HA3 GLY 24 HA3 GLY 24 4.501 11.312 -5.041 163 H GLU 25 H GLU 25 7.416 9.883 -4.085 164 HA GLU 25 HA GLU 25 7.276 8.054 -6.381 165 HB2 GLU 25 HB2 GLU 25 9.351 9.988 -5.542 166 HB3 GLU 25 HB3 GLU 25 9.904 8.464 -6.230 167 HG2 GLU 25 HG2 GLU 25 8.702 8.860 -8.235 168 HG3 GLU 25 HG3 GLU 25 7.902 10.276 -7.547 169 H ALA 26 H ALA 26 8.658 6.223 -6.316 170 HA ALA 26 HA ALA 26 8.859 5.118 -3.619 171 HB1 ALA 26 HB1 ALA 26 7.509 3.867 -5.218 172 HB2 ALA 26 HB2 ALA 26 8.945 2.949 -4.758 173 HB3 ALA 26 HB3 ALA 26 8.883 3.770 -6.317 174 H TYR 27 H TYR 27 10.785 4.476 -2.796 175 HA TYR 27 HA TYR 27 13.134 4.525 -4.539 176 HB2 TYR 27 HB2 TYR 27 12.785 6.085 -1.983 177 HB3 TYR 27 HB3 TYR 27 14.373 5.743 -2.669 178 HD1 TYR 27 HD1 TYR 27 11.395 7.806 -2.824 179 HD2 TYR 27 HD2 TYR 27 14.957 6.732 -4.889 180 HE1 TYR 27 HE1 TYR 27 11.177 9.808 -4.235 181 HE2 TYR 27 HE2 TYR 27 14.751 8.737 -6.294 182 HH TYR 27 HH TYR 27 12.844 10.256 -7.060 183 H CYS 28 H CYS 28 14.951 3.319 -3.689 184 HA CYS 28 HA CYS 28 14.122 0.927 -2.399 185 HB2 CYS 28 HB2 CYS 28 16.413 0.212 -2.587 186 HB3 CYS 28 HB3 CYS 28 16.002 1.084 -4.058 187 H SER 29 H SER 29 15.600 3.871 -1.339 188 HA SER 29 HA SER 29 15.159 3.161 1.407 189 HB2 SER 29 HB2 SER 29 17.407 2.190 0.899 190 HB3 SER 29 HB3 SER 29 17.953 3.800 0.447 191 HG SER 29 HG SER 29 17.546 2.707 2.930 192 H GLN 30 H GLN 30 15.532 4.986 2.813 193 HA GLN 30 HA GLN 30 14.596 7.430 1.860 194 HB2 GLN 30 HB2 GLN 30 14.622 6.524 4.257 195 HB3 GLN 30 HB3 GLN 30 16.280 7.092 4.345 196 HG2 GLN 30 HG2 GLN 30 15.582 9.365 4.053 197 HG3 GLN 30 HG3 GLN 30 13.927 8.855 3.719 198 HE21 GLN 30 HE21 GLN 30 15.028 10.626 5.792 199 HE22 GLN 30 HE22 GLN 30 14.483 9.974 7.297 200 H ALA 31 H ALA 31 17.789 6.101 1.959 201 HA ALA 31 HA ALA 31 19.382 8.390 1.756 202 HB1 ALA 31 HB1 ALA 31 20.266 6.102 2.126 203 HB2 ALA 31 HB2 ALA 31 21.078 6.922 0.793 204 HB3 ALA 31 HB3 ALA 31 19.854 5.699 0.460 205 H CYS 32 H CYS 32 18.029 6.372 -0.889 206 HA CYS 32 HA CYS 32 18.788 8.233 -2.924 207 HB2 CYS 32 HB2 CYS 32 17.284 5.679 -2.830 208 HB3 CYS 32 HB3 CYS 32 16.936 6.758 -4.174 209 H ALA 33 H ALA 33 16.029 7.772 -0.889 210 HA ALA 33 HA ALA 33 14.075 9.101 -2.335 211 HB1 ALA 33 HB1 ALA 33 14.490 9.058 0.656 212 HB2 ALA 33 HB2 ALA 33 13.587 7.872 -0.288 213 HB3 ALA 33 HB3 ALA 33 13.005 9.531 -0.159 214 H GLU 34 H GLU 34 16.682 10.344 -0.314 215 HA GLU 34 HA GLU 34 15.795 13.076 -0.560 216 HB2 GLU 34 HB2 GLU 34 18.310 11.886 0.587 217 HB3 GLU 34 HB3 GLU 34 17.938 13.604 0.598 218 HG2 GLU 34 HG2 GLU 34 15.688 12.465 1.681 219 HG3 GLU 34 HG3 GLU 34 17.001 11.480 2.327 220 H GLN 35 H GLN 35 17.085 11.104 -2.771 221 HA GLN 35 HA GLN 35 18.170 11.355 -4.746 222 HB2 GLN 35 HB2 GLN 35 17.655 14.293 -4.287 223 HB3 GLN 35 HB3 GLN 35 18.038 13.534 -5.827 224 HG2 GLN 35 HG2 GLN 35 15.967 12.262 -5.729 225 HG3 GLN 35 HG3 GLN 35 15.589 12.991 -4.171 226 HE21 GLN 35 HE21 GLN 35 14.915 15.105 -4.079 227 HE22 GLN 35 HE22 GLN 35 14.417 15.981 -5.482 228 H HIS 36 H HIS 36 19.748 11.265 -2.390 229 HA HIS 36 HA HIS 36 21.889 11.484 -1.657 230 HB2 HIS 36 HB2 HIS 36 22.533 12.273 -4.497 231 HB3 HIS 36 HB3 HIS 36 23.663 11.642 -3.301 232 HD1 HIS 36 HD1 HIS 36 23.276 9.069 -2.622 233 HD2 HIS 36 HD2 HIS 36 21.215 10.417 -5.961 234 HE1 HIS 36 HE1 HIS 36 22.536 7.009 -3.838 235 HA PRO 37 HA PRO 37 21.423 16.052 -1.339 236 HB2 PRO 37 HB2 PRO 37 21.388 16.121 1.371 237 HB3 PRO 37 HB3 PRO 37 19.941 15.860 0.401 238 HG2 PRO 37 HG2 PRO 37 21.607 13.890 1.891 239 HG3 PRO 37 HG3 PRO 37 19.851 13.931 1.668 240 HD2 PRO 37 HD2 PRO 37 21.547 12.296 0.264 241 HD3 PRO 37 HD3 PRO 37 19.964 12.828 -0.329 242 H ASN 38 H ASN 38 23.396 13.908 0.632 243 HA ASN 38 HA ASN 38 25.496 15.962 0.736 244 HB2 ASN 38 HB2 ASN 38 25.531 13.457 2.380 245 HB3 ASN 38 HB3 ASN 38 26.234 15.030 2.739 246 HD21 ASN 38 HD21 ASN 38 24.723 16.767 3.185 247 HD22 ASN 38 HD22 ASN 38 23.250 16.407 4.013 248 H GLY 39 H GLY 39 24.671 13.830 -1.294 249 HA2 GLY 39 HA2 GLY 39 25.882 12.746 -2.952 250 HA3 GLY 39 HA3 GLY 39 27.353 13.111 -2.063 251 H GLU 40 H GLU 40 25.242 11.763 0.085 252 HA GLU 40 HA GLU 40 26.718 9.363 0.279 253 HB2 GLU 40 HB2 GLU 40 25.651 10.404 2.248 254 HB3 GLU 40 HB3 GLU 40 24.067 10.052 1.570 255 HG2 GLU 40 HG2 GLU 40 24.616 7.637 1.649 256 HG3 GLU 40 HG3 GLU 40 26.135 8.041 2.441 257 HA PRO 41 HA PRO 41 24.451 7.001 -2.776 258 HB2 PRO 41 HB2 PRO 41 25.722 4.650 -2.292 259 HB3 PRO 41 HB3 PRO 41 26.480 5.969 -3.191 260 HG2 PRO 41 HG2 PRO 41 26.803 5.216 -0.307 261 HG3 PRO 41 HG3 PRO 41 28.048 5.659 -1.489 262 HD2 PRO 41 HD2 PRO 41 27.111 7.407 0.342 263 HD3 PRO 41 HD3 PRO 41 27.618 7.923 -1.280 264 H CYS 42 H CYS 42 23.244 4.766 -2.716 265 HA CYS 42 HA CYS 42 21.563 4.763 -0.405 266 HB2 CYS 42 HB2 CYS 42 20.352 2.948 -1.430 267 HB3 CYS 42 HB3 CYS 42 20.680 4.161 -2.665 268 HA PRO 43 HA PRO 43 23.649 1.898 2.136 269 HB2 PRO 43 HB2 PRO 43 21.270 0.478 2.988 270 HB3 PRO 43 HB3 PRO 43 22.194 1.728 3.822 271 HG2 PRO 43 HG2 PRO 43 19.667 2.103 2.866 272 HG3 PRO 43 HG3 PRO 43 20.844 3.396 3.144 273 HD2 PRO 43 HD2 PRO 43 20.069 2.041 0.609 274 HD3 PRO 43 HD3 PRO 43 20.434 3.751 0.915 275 H ALA 44 H ALA 44 23.421 0.937 -0.612 276 HA ALA 44 HA ALA 44 23.391 -1.981 -0.176 277 HB1 ALA 44 HB1 ALA 44 23.176 -0.395 -2.740 278 HB2 ALA 44 HB2 ALA 44 21.869 -1.269 -1.945 279 HB3 ALA 44 HB3 ALA 44 23.228 -2.153 -2.637 280 HA PRO 45 HA PRO 45 27.729 -1.553 -0.332 281 HB2 PRO 45 HB2 PRO 45 28.481 -4.144 -0.373 282 HB3 PRO 45 HB3 PRO 45 27.761 -3.390 1.054 283 HG2 PRO 45 HG2 PRO 45 26.499 -5.167 -0.990 284 HG3 PRO 45 HG3 PRO 45 26.258 -5.133 0.764 285 HD2 PRO 45 HD2 PRO 45 24.547 -3.980 -1.071 286 HD3 PRO 45 HD3 PRO 45 24.678 -3.479 0.627 287 H ASP 46 H ASP 46 26.139 -3.325 -2.878 288 HA ASP 46 HA ASP 46 28.611 -3.285 -4.466 289 HB2 ASP 46 HB2 ASP 46 27.184 -5.363 -4.363 290 HB3 ASP 46 HB3 ASP 46 25.944 -4.480 -5.243 291 H CYS 47 H CYS 47 25.774 -1.547 -4.012 292 HA CYS 47 HA CYS 47 25.747 -0.409 -6.681 293 HB2 CYS 47 HB2 CYS 47 23.681 -1.030 -5.307 294 HB3 CYS 47 HB3 CYS 47 24.066 0.390 -4.334 295 H HIS 48 H HIS 48 26.500 1.622 -7.152 296 HA HIS 48 HA HIS 48 27.402 3.280 -4.913 297 HB2 HIS 48 HB2 HIS 48 29.108 2.479 -7.272 298 HB3 HIS 48 HB3 HIS 48 29.507 3.805 -6.185 299 HD1 HIS 48 HD1 HIS 48 30.507 3.207 -3.920 300 HD2 HIS 48 HD2 HIS 48 29.297 -0.116 -6.104 301 HE1 HIS 48 HE1 HIS 48 31.440 1.209 -2.703 302 HE2 HIS 48 HE2 HIS 48 30.819 -0.766 -4.116 303 H CYS 49 H CYS 49 25.165 3.991 -5.943 304 HA CYS 49 HA CYS 49 25.588 5.957 -8.060 305 HB2 CYS 49 HB2 CYS 49 23.129 6.334 -7.732 306 HB3 CYS 49 HB3 CYS 49 23.548 4.685 -8.187 307 H GLU 50 H GLU 50 25.862 8.066 -7.653 308 HA GLU 50 HA GLU 50 25.057 9.301 -5.206 309 HB2 GLU 50 HB2 GLU 50 27.385 9.840 -4.449 310 HB3 GLU 50 HB3 GLU 50 26.933 8.149 -4.275 311 HG2 GLU 50 HG2 GLU 50 28.130 7.650 -6.376 312 HG3 GLU 50 HG3 GLU 50 28.639 9.332 -6.449 313 H ARG 51 H ARG 51 27.053 9.376 -8.088 314 HA ARG 51 HA ARG 51 27.105 12.273 -8.080 315 HB2 ARG 51 HB2 ARG 51 28.362 10.231 -9.907 316 HB3 ARG 51 HB3 ARG 51 28.498 11.968 -10.139 317 HG2 ARG 51 HG2 ARG 51 29.637 12.202 -8.020 318 HG3 ARG 51 HG3 ARG 51 29.431 10.482 -7.696 319 HD2 ARG 51 HD2 ARG 51 31.681 10.978 -8.496 320 HD3 ARG 51 HD3 ARG 51 30.810 9.936 -9.620 321 HE ARG 51 HE ARG 51 30.326 12.268 -10.728 322 HH11 ARG 51 HH11 ARG 51 33.333 11.073 -9.370 323 HH12 ARG 51 HH12 ARG 51 34.327 12.030 -10.418 324 HH21 ARG 51 HH21 ARG 51 31.652 13.528 -12.119 325 HH22 ARG 51 HH22 ARG 51 33.372 13.425 -11.979 326 H SER 52 H SER 52 24.537 11.511 -8.277 327 HA SER 52 HA SER 52 23.646 11.365 -10.971 328 HB2 SER 52 HB2 SER 52 21.417 12.067 -9.911 329 HB3 SER 52 HB3 SER 52 22.127 10.564 -9.325 330 HG SER 52 HG SER 52 21.500 12.767 -7.948 331 H GLY 53 H GLY 53 24.615 12.976 -12.152 332 HA2 GLY 53 HA2 GLY 53 24.243 15.743 -11.276 333 HA3 GLY 53 HA3 GLY 53 25.396 15.193 -12.477 334 H LYS 54 H LYS 54 24.831 15.116 -14.574 335 HA LYS 54 HA LYS 54 22.511 16.621 -15.329 336 HB2 LYS 54 HB2 LYS 54 24.464 15.146 -17.108 337 HB3 LYS 54 HB3 LYS 54 23.338 16.395 -17.608 338 HG2 LYS 54 HG2 LYS 54 25.638 16.821 -15.702 339 HG3 LYS 54 HG3 LYS 54 25.681 17.180 -17.426 340 HD2 LYS 54 HD2 LYS 54 23.755 18.420 -15.453 341 HD3 LYS 54 HD3 LYS 54 25.252 19.174 -16.000 342 HE2 LYS 54 HE2 LYS 54 22.955 18.367 -17.790 343 HE3 LYS 54 HE3 LYS 54 23.258 19.999 -17.204 344 HZ1 LYS 54 HZ1 LYS 54 24.093 19.647 -19.451 345 HZ2 LYS 54 HZ2 LYS 54 25.123 18.427 -18.901 346 HZ3 LYS 54 HZ3 LYS 54 25.349 20.018 -18.383 347 H VAL 55 H VAL 55 20.840 15.277 -14.545 348 HA VAL 55 HA VAL 55 20.485 12.641 -15.694 349 HB VAL 55 HB VAL 55 18.658 14.252 -13.891 350 HG11 VAL 55 HG11 VAL 55 18.536 11.346 -14.693 351 HG12 VAL 55 HG12 VAL 55 17.406 12.614 -15.164 352 HG13 VAL 55 HG13 VAL 55 17.516 12.115 -13.476 353 HG21 VAL 55 HG21 VAL 55 19.453 12.776 -12.105 354 HG22 VAL 55 HG22 VAL 55 20.780 13.695 -12.817 355 HG23 VAL 55 HG23 VAL 55 20.556 11.998 -13.238 356 H GLY 56 H GLY 56 18.862 15.783 -15.800 357 HA2 GLY 56 HA2 GLY 56 17.512 14.890 -18.267 358 HA3 GLY 56 HA3 GLY 56 16.769 15.976 -17.100 359 H GLY 57 H GLY 57 16.707 16.944 -19.491 360 HA2 GLY 57 HA2 GLY 57 17.490 19.380 -19.690 361 HA3 GLY 57 HA3 GLY 57 19.082 18.651 -19.822 362 H ARG 58 H ARG 58 16.678 19.960 -21.580 363 HA ARG 58 HA ARG 58 16.707 18.132 -23.807 364 HB2 ARG 58 HB2 ARG 58 14.717 19.510 -23.298 365 HB3 ARG 58 HB3 ARG 58 15.646 20.957 -23.666 366 HG2 ARG 58 HG2 ARG 58 16.009 20.007 -25.969 367 HG3 ARG 58 HG3 ARG 58 14.830 18.764 -25.555 368 HD2 ARG 58 HD2 ARG 58 14.389 21.740 -25.710 369 HD3 ARG 58 HD3 ARG 58 13.696 20.499 -26.751 370 HE ARG 58 HE ARG 58 12.854 21.226 -24.070 371 HH11 ARG 58 HH11 ARG 58 12.641 18.823 -26.627 372 HH12 ARG 58 HH12 ARG 58 11.087 18.250 -26.137 373 HH21 ARG 58 HH21 ARG 58 10.799 20.454 -23.417 374 HH22 ARG 58 HH22 ARG 58 10.037 19.180 -24.298 375 H ASP 59 H ASP 59 18.539 17.962 -24.920 376 HA ASP 59 HA ASP 59 19.798 20.457 -25.833 377 HB2 ASP 59 HB2 ASP 59 21.258 19.196 -24.245 378 HB3 ASP 59 HB3 ASP 59 21.219 17.833 -25.364 379 H ILE 60 H ILE 60 20.265 20.594 -27.969 380 HA ILE 60 HA ILE 60 18.925 18.709 -29.672 381 HB ILE 60 HB ILE 60 20.638 21.074 -30.488 382 HG12 ILE 60 HG12 ILE 60 17.639 20.948 -30.073 383 HG13 ILE 60 HG13 ILE 60 18.776 21.757 -29.001 384 HG21 ILE 60 HG21 ILE 60 20.249 19.471 -32.280 385 HG22 ILE 60 HG22 ILE 60 19.352 20.958 -32.580 386 HG23 ILE 60 HG23 ILE 60 18.513 19.528 -31.977 387 HD11 ILE 60 HD11 ILE 60 18.217 22.486 -31.869 388 HD12 ILE 60 HD12 ILE 60 19.369 23.296 -30.806 389 HD13 ILE 60 HD13 ILE 60 17.643 23.345 -30.440 390 H THR 61 H THR 61 20.103 16.841 -29.301 391 HA THR 61 HA THR 61 22.685 16.797 -30.663 392 HB THR 61 HB THR 61 23.336 16.760 -28.380 393 HG1 THR 61 HG1 THR 61 24.256 15.095 -29.783 394 HG21 THR 61 HG21 THR 61 21.291 14.575 -27.926 395 HG22 THR 61 HG22 THR 61 21.178 16.238 -27.349 396 HG23 THR 61 HG23 THR 61 22.436 15.172 -26.724 397 H ASN 62 H ASN 62 22.186 15.749 -32.465 398 HA ASN 62 HA ASN 62 21.718 14.036 -33.890 399 HB2 ASN 62 HB2 ASN 62 21.944 12.388 -31.370 400 HB3 ASN 62 HB3 ASN 62 21.823 11.709 -32.986 401 HD21 ASN 62 HD21 ASN 62 23.547 11.982 -34.420 402 HD22 ASN 62 HD22 ASN 62 25.138 12.361 -33.852 403 H ASN 63 H ASN 63 19.510 15.454 -32.527 404 HA ASN 63 HA ASN 63 17.483 13.514 -32.047 405 HB2 ASN 63 HB2 ASN 63 17.359 16.499 -32.391 406 HB3 ASN 63 HB3 ASN 63 15.930 15.510 -32.107 407 HD21 ASN 63 HD21 ASN 63 15.812 14.312 -30.154 408 HD22 ASN 63 HD22 ASN 63 16.653 14.860 -28.748 409 H GLN 64 H GLN 64 16.483 12.372 -33.452 410 HA GLN 64 HA GLN 64 16.548 13.038 -36.262 411 HB2 GLN 64 HB2 GLN 64 15.411 10.688 -34.761 412 HB3 GLN 64 HB3 GLN 64 15.414 10.840 -36.511 413 HG2 GLN 64 HG2 GLN 64 17.892 10.902 -34.823 414 HG3 GLN 64 HG3 GLN 64 17.242 9.428 -35.548 415 HE21 GLN 64 HE21 GLN 64 18.868 12.433 -36.132 416 HE22 GLN 64 HE22 GLN 64 19.288 12.122 -37.781 417 H LEU 65 H LEU 65 14.658 14.089 -33.877 418 HA LEU 65 HA LEU 65 12.405 14.503 -35.669 419 HB2 LEU 65 HB2 LEU 65 10.741 13.902 -34.056 420 HB3 LEU 65 HB3 LEU 65 11.824 12.545 -34.269 421 HG LEU 65 HG LEU 65 12.042 14.460 -31.944 422 HD11 LEU 65 HD11 LEU 65 9.847 13.414 -31.919 423 HD12 LEU 65 HD12 LEU 65 10.865 12.780 -30.627 424 HD13 LEU 65 HD13 LEU 65 10.591 11.824 -32.084 425 HD21 LEU 65 HD21 LEU 65 13.086 11.658 -32.355 426 HD22 LEU 65 HD22 LEU 65 13.323 12.659 -30.921 427 HD23 LEU 65 HD23 LEU 65 14.043 13.134 -32.461 428 H ASP 66 H ASP 66 10.896 16.173 -34.796 429 HA ASP 66 HA ASP 66 12.051 17.983 -32.839 430 HB2 ASP 66 HB2 ASP 66 13.029 18.846 -34.860 431 HB3 ASP 66 HB3 ASP 66 11.481 18.775 -35.698 432 H GLU 67 H GLU 67 10.527 18.797 -31.589 433 HA GLU 67 HA GLU 67 7.849 19.320 -32.526 434 HB2 GLU 67 HB2 GLU 67 8.513 16.830 -31.181 435 HB3 GLU 67 HB3 GLU 67 7.330 17.755 -30.271 436 HG2 GLU 67 HG2 GLU 67 7.054 17.011 -33.174 437 HG3 GLU 67 HG3 GLU 67 6.336 16.120 -31.832 438 H ALA 68 H ALA 68 10.146 20.734 -31.226 439 HA ALA 68 HA ALA 68 8.626 21.847 -29.010 440 HB1 ALA 68 HB1 ALA 68 11.447 20.872 -28.633 441 HB2 ALA 68 HB2 ALA 68 9.999 20.093 -27.996 442 HB3 ALA 68 HB3 ALA 68 10.455 21.702 -27.435 443 H LEU 69 H LEU 69 8.842 23.949 -28.782 444 HA LEU 69 HA LEU 69 11.087 25.328 -30.083 445 HB2 LEU 69 HB2 LEU 69 8.171 26.066 -30.048 446 HB3 LEU 69 HB3 LEU 69 9.421 27.248 -30.367 447 HG LEU 69 HG LEU 69 8.939 24.775 -32.023 448 HD11 LEU 69 HD11 LEU 69 8.006 26.309 -33.676 449 HD12 LEU 69 HD12 LEU 69 8.206 27.653 -32.552 450 HD13 LEU 69 HD13 LEU 69 7.077 26.351 -32.180 451 HD21 LEU 69 HD21 LEU 69 11.248 25.536 -32.092 452 HD22 LEU 69 HD22 LEU 69 10.714 27.179 -32.439 453 HD23 LEU 69 HD23 LEU 69 10.442 25.897 -33.616 454 H GLU 70 H GLU 70 12.201 26.593 -28.766 455 HA GLU 70 HA GLU 70 11.090 27.067 -26.091 456 HB2 GLU 70 HB2 GLU 70 13.217 25.725 -26.415 457 HB3 GLU 70 HB3 GLU 70 13.978 27.222 -26.927 458 HG2 GLU 70 HG2 GLU 70 13.663 28.200 -24.786 459 HG3 GLU 70 HG3 GLU 70 12.650 26.853 -24.261 460 H GLU 71 H GLU 71 11.347 28.608 -28.903 461 HA GLU 71 HA GLU 71 12.401 31.137 -28.093 462 HB2 GLU 71 HB2 GLU 71 10.862 30.282 -30.545 463 HB3 GLU 71 HB3 GLU 71 11.492 31.905 -30.302 464 HG2 GLU 71 HG2 GLU 71 13.186 29.424 -30.330 465 HG3 GLU 71 HG3 GLU 71 12.905 30.454 -31.732 466 H THR 72 H THR 72 11.083 31.310 -26.222 467 HA THR 72 HA THR 72 8.271 31.826 -26.531 468 HB THR 72 HB THR 72 8.530 32.521 -24.055 469 HG1 THR 72 HG1 THR 72 10.849 30.941 -24.094 470 HG21 THR 72 HG21 THR 72 7.543 30.404 -24.793 471 HG22 THR 72 HG22 THR 72 8.539 30.163 -23.358 472 HG23 THR 72 HG23 THR 72 9.152 29.699 -24.944 473 H PHE 73 H PHE 73 7.346 33.693 -26.910 474 HA PHE 73 HA PHE 73 9.003 36.042 -27.257 475 HB2 PHE 73 HB2 PHE 73 6.044 35.676 -27.778 476 HB3 PHE 73 HB3 PHE 73 7.043 37.014 -28.329 477 HD1 PHE 73 HD1 PHE 73 5.902 33.669 -28.995 478 HD2 PHE 73 HD2 PHE 73 8.837 36.572 -30.017 479 HE1 PHE 73 HE1 PHE 73 6.398 32.430 -31.061 480 HE2 PHE 73 HE2 PHE 73 9.339 35.341 -32.088 481 HZ PHE 73 HZ PHE 73 8.119 33.267 -32.612 482 HA PRO 74 HA PRO 74 7.781 37.878 -23.388 483 HB2 PRO 74 HB2 PRO 74 8.333 40.469 -23.962 484 HB3 PRO 74 HB3 PRO 74 9.599 39.279 -23.640 485 HG2 PRO 74 HG2 PRO 74 8.587 40.312 -26.261 486 HG3 PRO 74 HG3 PRO 74 10.258 40.027 -25.742 487 HD2 PRO 74 HD2 PRO 74 8.902 38.304 -27.316 488 HD3 PRO 74 HD3 PRO 74 10.133 37.767 -26.150 489 H ALA 75 H ALA 75 6.204 39.426 -22.547 490 HA ALA 75 HA ALA 75 3.785 39.408 -24.034 491 HB1 ALA 75 HB1 ALA 75 2.833 40.600 -22.130 492 HB2 ALA 75 HB2 ALA 75 4.450 40.877 -21.484 493 HB3 ALA 75 HB3 ALA 75 3.812 39.237 -21.592 494 H SER 76 H SER 76 6.297 41.735 -23.445 495 HA SER 76 HA SER 76 4.827 43.913 -24.667 496 HB2 SER 76 HB2 SER 76 7.696 43.794 -23.707 497 HB3 SER 76 HB3 SER 76 6.798 45.251 -24.131 498 HG SER 76 HG SER 76 5.286 44.555 -22.423 499 H ASP 77 H ASP 77 5.604 41.445 -26.186 500 HA ASP 77 HA ASP 77 7.694 41.895 -27.985 501 HB2 ASP 77 HB2 ASP 77 6.436 39.740 -27.676 502 HB3 ASP 77 HB3 ASP 77 5.096 40.446 -28.569 503 HA PRO 78 HA PRO 78 6.325 45.493 -30.268 504 HB2 PRO 78 HB2 PRO 78 7.858 44.162 -32.452 505 HB3 PRO 78 HB3 PRO 78 7.965 45.822 -31.855 506 HG2 PRO 78 HG2 PRO 78 9.826 44.045 -31.212 507 HG3 PRO 78 HG3 PRO 78 9.245 45.219 -30.016 508 HD2 PRO 78 HD2 PRO 78 8.627 42.311 -30.276 509 HD3 PRO 78 HD3 PRO 78 8.832 43.300 -28.816 510 H ILE 79 H ILE 79 4.841 46.022 -31.830 511 HA ILE 79 HA ILE 79 3.036 43.940 -32.588 512 HB ILE 79 HB ILE 79 1.705 45.701 -33.641 513 HG12 ILE 79 HG12 ILE 79 3.969 47.572 -32.900 514 HG13 ILE 79 HG13 ILE 79 3.600 47.035 -34.534 515 HG21 ILE 79 HG21 ILE 79 1.462 45.351 -31.252 516 HG22 ILE 79 HG22 ILE 79 1.271 47.061 -31.636 517 HG23 ILE 79 HG23 ILE 79 2.779 46.479 -30.932 518 HD11 ILE 79 HD11 ILE 79 2.752 49.267 -34.130 519 HD12 ILE 79 HD12 ILE 79 1.810 48.679 -32.760 520 HD13 ILE 79 HD13 ILE 79 1.422 48.139 -34.394 521 H SER 80 H SER 80 2.324 43.548 -34.771 522 HA SER 80 HA SER 80 4.523 43.204 -36.563 523 HB2 SER 80 HB2 SER 80 2.586 41.595 -36.302 524 HB3 SER 80 HB3 SER 80 1.577 42.782 -37.121 525 HG SER 80 HG SER 80 3.080 42.628 -38.899 526 HA PRO 81 HA PRO 81 4.095 47.271 -38.441 527 HB2 PRO 81 HB2 PRO 81 5.676 46.029 -40.617 528 HB3 PRO 81 HB3 PRO 81 6.028 47.468 -39.657 529 HG2 PRO 81 HG2 PRO 81 7.377 45.195 -39.276 530 HG3 PRO 81 HG3 PRO 81 6.942 46.247 -37.916 531 HD2 PRO 81 HD2 PRO 81 5.678 43.688 -38.814 532 HD3 PRO 81 HD3 PRO 81 6.005 44.275 -37.168 Start of MODEL 15 1 HA ASN 1 HA ASN 1 3.438 -1.749 -10.092 2 HB2 ASN 1 HB2 ASN 1 5.053 -1.586 -11.909 3 HB3 ASN 1 HB3 ASN 1 3.458 -1.934 -12.557 4 HD21 ASN 1 HD21 ASN 1 5.800 -0.777 -13.837 5 HD22 ASN 1 HD22 ASN 1 5.304 0.754 -14.469 6 H GLU 2 H GLU 2 5.385 -1.195 -9.133 7 HA GLU 2 HA GLU 2 5.556 1.601 -8.339 8 HB2 GLU 2 HB2 GLU 2 7.019 -0.846 -7.347 9 HB3 GLU 2 HB3 GLU 2 7.233 0.776 -6.712 10 HG2 GLU 2 HG2 GLU 2 4.927 0.817 -5.967 11 HG3 GLU 2 HG3 GLU 2 4.661 -0.783 -6.662 12 H LEU 3 H LEU 3 7.614 2.697 -8.364 13 HA LEU 3 HA LEU 3 9.108 1.999 -10.743 14 HB2 LEU 3 HB2 LEU 3 8.621 4.481 -9.235 15 HB3 LEU 3 HB3 LEU 3 10.214 4.325 -9.945 16 HG LEU 3 HG LEU 3 8.600 5.561 -11.385 17 HD11 LEU 3 HD11 LEU 3 10.533 4.409 -12.353 18 HD12 LEU 3 HD12 LEU 3 9.152 4.406 -13.449 19 HD13 LEU 3 HD13 LEU 3 9.562 2.949 -12.546 20 HD21 LEU 3 HD21 LEU 3 6.826 4.373 -12.523 21 HD22 LEU 3 HD22 LEU 3 6.588 4.252 -10.777 22 HD23 LEU 3 HD23 LEU 3 7.239 2.884 -11.675 23 H ARG 4 H ARG 4 11.342 1.910 -10.782 24 HA ARG 4 HA ARG 4 12.514 1.081 -8.219 25 HB2 ARG 4 HB2 ARG 4 12.978 0.001 -10.999 26 HB3 ARG 4 HB3 ARG 4 13.892 -0.477 -9.575 27 HG2 ARG 4 HG2 ARG 4 12.185 -1.717 -8.716 28 HG3 ARG 4 HG3 ARG 4 10.936 -0.719 -9.462 29 HD2 ARG 4 HD2 ARG 4 11.196 -3.044 -10.402 30 HD3 ARG 4 HD3 ARG 4 11.267 -1.729 -11.574 31 HE ARG 4 HE ARG 4 13.877 -2.262 -10.768 32 HH11 ARG 4 HH11 ARG 4 11.305 -3.940 -12.487 33 HH12 ARG 4 HH12 ARG 4 12.397 -4.872 -13.454 34 HH21 ARG 4 HH21 ARG 4 15.312 -3.483 -12.082 35 HH22 ARG 4 HH22 ARG 4 14.674 -4.607 -13.232 36 H CYS 5 H CYS 5 14.737 1.571 -7.913 37 HA CYS 5 HA CYS 5 15.484 4.033 -9.221 38 HB2 CYS 5 HB2 CYS 5 15.719 3.843 -6.797 39 HB3 CYS 5 HB3 CYS 5 16.845 2.511 -6.997 40 H GLY 6 H GLY 6 17.350 4.405 -10.371 41 HA2 GLY 6 HA2 GLY 6 18.213 2.177 -11.972 42 HA3 GLY 6 HA3 GLY 6 18.702 3.852 -12.158 43 H CYS 7 H CYS 7 19.398 3.612 -9.097 44 HA CYS 7 HA CYS 7 22.132 2.848 -9.619 45 HB2 CYS 7 HB2 CYS 7 21.810 4.830 -8.277 46 HB3 CYS 7 HB3 CYS 7 20.801 3.957 -7.138 47 HA PRO 8 HA PRO 8 21.206 -1.360 -8.429 48 HB2 PRO 8 HB2 PRO 8 23.796 -2.237 -8.651 49 HB3 PRO 8 HB3 PRO 8 22.672 -2.072 -10.003 50 HG2 PRO 8 HG2 PRO 8 24.831 -0.211 -9.104 51 HG3 PRO 8 HG3 PRO 8 24.378 -0.687 -10.751 52 HD2 PRO 8 HD2 PRO 8 23.641 1.668 -9.692 53 HD3 PRO 8 HD3 PRO 8 22.591 0.781 -10.818 54 H ASP 9 H ASP 9 23.664 0.669 -6.947 55 HA ASP 9 HA ASP 9 24.017 -1.151 -4.720 56 HB2 ASP 9 HB2 ASP 9 25.135 1.588 -5.314 57 HB3 ASP 9 HB3 ASP 9 25.421 0.762 -3.786 58 H CYS 10 H CYS 10 21.942 1.343 -5.573 59 HA CYS 10 HA CYS 10 21.343 2.073 -2.824 60 HB2 CYS 10 HB2 CYS 10 21.497 3.924 -4.284 61 HB3 CYS 10 HB3 CYS 10 20.467 3.144 -5.482 62 H HIS 11 H HIS 11 19.516 1.407 -1.776 63 HA HIS 11 HA HIS 11 17.483 0.049 -3.387 64 HB2 HIS 11 HB2 HIS 11 18.650 -0.810 -0.770 65 HB3 HIS 11 HB3 HIS 11 17.003 -1.266 -1.194 66 HD2 HIS 11 HD2 HIS 11 20.532 -1.632 -2.965 67 HE1 HIS 11 HE1 HIS 11 18.150 -5.042 -3.790 68 HE2 HIS 11 HE2 HIS 11 20.310 -3.855 -4.274 69 H CYS 12 H CYS 12 16.232 1.840 -3.586 70 HA CYS 12 HA CYS 12 14.775 2.602 -1.143 71 HB2 CYS 12 HB2 CYS 12 15.770 4.315 -3.388 72 HB3 CYS 12 HB3 CYS 12 14.263 4.750 -2.604 73 H LYS 13 H LYS 13 12.536 2.781 -1.328 74 HA LYS 13 HA LYS 13 11.483 1.402 -3.627 75 HB2 LYS 13 HB2 LYS 13 9.346 1.245 -2.410 76 HB3 LYS 13 HB3 LYS 13 10.667 0.626 -1.449 77 HG2 LYS 13 HG2 LYS 13 9.543 3.398 -1.065 78 HG3 LYS 13 HG3 LYS 13 8.876 1.985 -0.264 79 HD2 LYS 13 HD2 LYS 13 11.706 3.007 0.023 80 HD3 LYS 13 HD3 LYS 13 10.409 3.237 1.182 81 HE2 LYS 13 HE2 LYS 13 10.289 0.815 1.524 82 HE3 LYS 13 HE3 LYS 13 11.593 0.588 0.356 83 HZ1 LYS 13 HZ1 LYS 13 11.802 2.072 2.923 84 HZ2 LYS 13 HZ2 LYS 13 13.046 1.899 1.800 85 HZ3 LYS 13 HZ3 LYS 13 12.448 0.546 2.607 86 H VAL 14 H VAL 14 11.654 2.789 -5.277 87 HA VAL 14 HA VAL 14 10.935 5.542 -5.170 88 HB VAL 14 HB VAL 14 11.194 3.833 -7.668 89 HG11 VAL 14 HG11 VAL 14 11.554 6.788 -7.233 90 HG12 VAL 14 HG12 VAL 14 10.207 6.011 -8.069 91 HG13 VAL 14 HG13 VAL 14 11.839 5.929 -8.743 92 HG21 VAL 14 HG21 VAL 14 13.544 4.553 -7.769 93 HG22 VAL 14 HG22 VAL 14 13.217 3.562 -6.342 94 HG23 VAL 14 HG23 VAL 14 13.367 5.314 -6.187 95 H ASP 15 H ASP 15 9.159 6.584 -5.794 96 HA ASP 15 HA ASP 15 6.732 4.988 -6.088 97 HB2 ASP 15 HB2 ASP 15 7.130 7.897 -5.418 98 HB3 ASP 15 HB3 ASP 15 5.595 7.035 -5.375 99 HA PRO 16 HA PRO 16 6.448 6.187 -10.398 100 HB2 PRO 16 HB2 PRO 16 3.515 6.228 -10.001 101 HB3 PRO 16 HB3 PRO 16 4.480 5.265 -11.123 102 HG2 PRO 16 HG2 PRO 16 3.341 4.159 -8.973 103 HG3 PRO 16 HG3 PRO 16 4.936 3.640 -9.544 104 HD2 PRO 16 HD2 PRO 16 4.226 5.411 -7.244 105 HD3 PRO 16 HD3 PRO 16 5.482 4.161 -7.366 106 H GLU 17 H GLU 17 4.688 7.916 -7.910 107 HA GLU 17 HA GLU 17 4.107 10.132 -9.676 108 HB2 GLU 17 HB2 GLU 17 3.608 9.837 -6.704 109 HB3 GLU 17 HB3 GLU 17 2.985 11.119 -7.729 110 HG2 GLU 17 HG2 GLU 17 1.662 9.482 -8.979 111 HG3 GLU 17 HG3 GLU 17 2.299 8.190 -7.965 112 H ARG 18 H ARG 18 6.797 9.131 -7.977 113 HA ARG 18 HA ARG 18 7.840 11.870 -7.855 114 HB2 ARG 18 HB2 ARG 18 8.106 9.910 -5.561 115 HB3 ARG 18 HB3 ARG 18 8.861 11.493 -5.650 116 HG2 ARG 18 HG2 ARG 18 7.073 12.063 -4.396 117 HG3 ARG 18 HG3 ARG 18 6.321 12.216 -5.986 118 HD2 ARG 18 HD2 ARG 18 4.804 10.964 -4.698 119 HD3 ARG 18 HD3 ARG 18 5.621 9.804 -5.739 120 HE ARG 18 HE ARG 18 6.908 9.085 -3.842 121 HH11 ARG 18 HH11 ARG 18 4.240 11.234 -3.077 122 HH12 ARG 18 HH12 ARG 18 4.099 10.683 -1.448 123 HH21 ARG 18 HH21 ARG 18 6.715 8.344 -1.705 124 HH22 ARG 18 HH22 ARG 18 5.520 9.033 -0.654 125 H VAL 19 H VAL 19 8.345 9.816 -9.746 126 HA VAL 19 HA VAL 19 10.970 8.797 -9.024 127 HB VAL 19 HB VAL 19 9.602 7.155 -10.099 128 HG11 VAL 19 HG11 VAL 19 8.011 8.599 -11.223 129 HG12 VAL 19 HG12 VAL 19 8.695 7.440 -12.363 130 HG13 VAL 19 HG13 VAL 19 9.254 9.113 -12.366 131 HG21 VAL 19 HG21 VAL 19 11.948 7.088 -10.709 132 HG22 VAL 19 HG22 VAL 19 11.646 8.181 -12.059 133 HG23 VAL 19 HG23 VAL 19 10.942 6.565 -12.059 134 H PHE 20 H PHE 20 12.749 9.874 -9.406 135 HA PHE 20 HA PHE 20 12.819 12.143 -11.146 136 HB2 PHE 20 HB2 PHE 20 14.788 10.751 -9.371 137 HB3 PHE 20 HB3 PHE 20 15.313 12.014 -10.490 138 HD1 PHE 20 HD1 PHE 20 13.073 11.308 -7.626 139 HD2 PHE 20 HD2 PHE 20 14.988 14.285 -9.985 140 HE1 PHE 20 HE1 PHE 20 12.411 13.023 -5.993 141 HE2 PHE 20 HE2 PHE 20 14.332 16.005 -8.356 142 HZ PHE 20 HZ PHE 20 13.041 15.375 -6.357 143 H ASN 21 H ASN 21 12.872 11.843 -13.262 144 HA ASN 21 HA ASN 21 14.068 9.459 -14.400 145 HB2 ASN 21 HB2 ASN 21 12.662 11.768 -15.755 146 HB3 ASN 21 HB3 ASN 21 13.206 10.305 -16.552 147 HD21 ASN 21 HD21 ASN 21 12.462 8.503 -14.460 148 HD22 ASN 21 HD22 ASN 21 10.739 8.417 -14.462 149 H HIS 22 H HIS 22 15.862 9.341 -15.566 150 HA HIS 22 HA HIS 22 17.232 11.771 -16.425 151 HB2 HIS 22 HB2 HIS 22 18.225 11.246 -14.247 152 HB3 HIS 22 HB3 HIS 22 18.547 9.604 -14.773 153 HD2 HIS 22 HD2 HIS 22 19.925 13.225 -15.430 154 HE1 HIS 22 HE1 HIS 22 22.720 10.395 -16.894 155 HE2 HIS 22 HE2 HIS 22 22.222 12.840 -16.545 156 H ASP 23 H ASP 23 17.367 11.475 -18.531 157 HA ASP 23 HA ASP 23 17.782 10.580 -20.581 158 HB2 ASP 23 HB2 ASP 23 19.984 9.972 -19.512 159 HB3 ASP 23 HB3 ASP 23 19.302 8.403 -19.109 160 H GLY 24 H GLY 24 15.535 9.773 -18.851 161 HA2 GLY 24 HA2 GLY 24 13.627 8.529 -19.351 162 HA3 GLY 24 HA3 GLY 24 14.569 7.593 -20.504 163 H GLU 25 H GLU 25 16.212 7.811 -17.599 164 HA GLU 25 HA GLU 25 15.350 5.098 -16.904 165 HB2 GLU 25 HB2 GLU 25 17.873 6.043 -17.297 166 HB3 GLU 25 HB3 GLU 25 17.704 6.261 -15.560 167 HG2 GLU 25 HG2 GLU 25 17.239 3.937 -15.247 168 HG3 GLU 25 HG3 GLU 25 17.197 3.668 -16.988 169 H ALA 26 H ALA 26 14.896 4.585 -14.739 170 HA ALA 26 HA ALA 26 13.714 6.817 -13.309 171 HB1 ALA 26 HB1 ALA 26 13.512 3.844 -12.874 172 HB2 ALA 26 HB2 ALA 26 12.323 4.874 -13.676 173 HB3 ALA 26 HB3 ALA 26 12.642 5.065 -11.948 174 H TYR 27 H TYR 27 14.313 7.508 -11.349 175 HA TYR 27 HA TYR 27 16.332 6.039 -9.841 176 HB2 TYR 27 HB2 TYR 27 16.616 8.898 -10.782 177 HB3 TYR 27 HB3 TYR 27 17.560 8.232 -9.455 178 HD1 TYR 27 HD1 TYR 27 17.182 8.474 -13.050 179 HD2 TYR 27 HD2 TYR 27 19.183 6.389 -9.928 180 HE1 TYR 27 HE1 TYR 27 18.857 7.669 -14.663 181 HE2 TYR 27 HE2 TYR 27 20.859 5.578 -11.532 182 HH TYR 27 HH TYR 27 21.021 6.784 -14.789 183 H CYS 28 H CYS 28 16.434 6.738 -7.578 184 HA CYS 28 HA CYS 28 13.814 7.333 -6.624 185 HB2 CYS 28 HB2 CYS 28 14.671 6.963 -4.427 186 HB3 CYS 28 HB3 CYS 28 15.445 5.789 -5.479 187 H SER 29 H SER 29 16.716 9.175 -7.134 188 HA SER 29 HA SER 29 15.285 11.612 -6.681 189 HB2 SER 29 HB2 SER 29 15.907 11.082 -4.371 190 HB3 SER 29 HB3 SER 29 17.586 10.885 -4.843 191 HG SER 29 HG SER 29 16.261 13.131 -4.206 192 H GLN 30 H GLN 30 16.546 13.488 -7.195 193 HA GLN 30 HA GLN 30 17.982 13.546 -9.531 194 HB2 GLN 30 HB2 GLN 30 17.201 15.378 -7.560 195 HB3 GLN 30 HB3 GLN 30 18.941 15.565 -7.648 196 HG2 GLN 30 HG2 GLN 30 17.175 15.707 -10.077 197 HG3 GLN 30 HG3 GLN 30 17.529 17.111 -9.078 198 HE21 GLN 30 HE21 GLN 30 19.661 17.906 -9.034 199 HE22 GLN 30 HE22 GLN 30 20.793 17.517 -10.280 200 H ALA 31 H ALA 31 19.169 12.973 -6.277 201 HA ALA 31 HA ALA 31 21.919 13.258 -6.605 202 HB1 ALA 31 HB1 ALA 31 20.768 12.959 -4.438 203 HB2 ALA 31 HB2 ALA 31 22.145 11.874 -4.630 204 HB3 ALA 31 HB3 ALA 31 20.505 11.264 -4.842 205 H CYS 32 H CYS 32 20.047 10.204 -6.801 206 HA CYS 32 HA CYS 32 22.263 8.748 -7.842 207 HB2 CYS 32 HB2 CYS 32 19.366 8.133 -7.412 208 HB3 CYS 32 HB3 CYS 32 20.369 7.049 -8.364 209 H ALA 33 H ALA 33 19.724 10.642 -9.208 210 HA ALA 33 HA ALA 33 19.507 9.485 -11.722 211 HB1 ALA 33 HB1 ALA 33 18.690 11.673 -12.472 212 HB2 ALA 33 HB2 ALA 33 19.277 12.405 -10.980 213 HB3 ALA 33 HB3 ALA 33 17.980 11.210 -10.928 214 H GLU 34 H GLU 34 21.746 11.970 -10.526 215 HA GLU 34 HA GLU 34 23.154 12.034 -13.038 216 HB2 GLU 34 HB2 GLU 34 23.829 13.310 -10.403 217 HB3 GLU 34 HB3 GLU 34 24.649 13.616 -11.928 218 HG2 GLU 34 HG2 GLU 34 22.233 14.193 -12.727 219 HG3 GLU 34 HG3 GLU 34 21.963 14.437 -11.010 220 H GLN 35 H GLN 35 23.053 9.706 -10.869 221 HA GLN 35 HA GLN 35 24.374 7.942 -10.331 222 HB2 GLN 35 HB2 GLN 35 26.112 8.954 -12.581 223 HB3 GLN 35 HB3 GLN 35 26.049 7.308 -11.955 224 HG2 GLN 35 HG2 GLN 35 23.831 7.003 -12.755 225 HG3 GLN 35 HG3 GLN 35 23.681 8.705 -13.155 226 HE21 GLN 35 HE21 GLN 35 23.373 6.309 -14.789 227 HE22 GLN 35 HE22 GLN 35 24.452 6.501 -16.121 228 H HIS 36 H HIS 36 24.751 10.310 -8.884 229 HA HIS 36 HA HIS 36 26.074 11.259 -7.304 230 HB2 HIS 36 HB2 HIS 36 27.826 8.825 -7.596 231 HB3 HIS 36 HB3 HIS 36 27.739 9.897 -6.202 232 HD1 HIS 36 HD1 HIS 36 25.445 9.764 -4.798 233 HD2 HIS 36 HD2 HIS 36 26.041 6.790 -7.636 234 HE1 HIS 36 HE1 HIS 36 23.823 7.945 -4.222 235 HA PRO 37 HA PRO 37 28.946 12.820 -10.546 236 HB2 PRO 37 HB2 PRO 37 28.378 15.450 -10.047 237 HB3 PRO 37 HB3 PRO 37 27.487 14.458 -11.198 238 HG2 PRO 37 HG2 PRO 37 26.765 15.262 -8.424 239 HG3 PRO 37 HG3 PRO 37 25.720 15.044 -9.837 240 HD2 PRO 37 HD2 PRO 37 25.938 13.225 -7.809 241 HD3 PRO 37 HD3 PRO 37 25.495 12.794 -9.470 242 H ASN 38 H ASN 38 28.371 14.269 -7.365 243 HA ASN 38 HA ASN 38 31.258 14.791 -7.161 244 HB2 ASN 38 HB2 ASN 38 29.178 16.055 -5.404 245 HB3 ASN 38 HB3 ASN 38 30.792 16.639 -5.800 246 HD21 ASN 38 HD21 ASN 38 31.142 17.291 -8.030 247 HD22 ASN 38 HD22 ASN 38 29.849 18.048 -8.892 248 H GLY 39 H GLY 39 29.453 12.424 -6.505 249 HA2 GLY 39 HA2 GLY 39 29.764 10.654 -5.027 250 HA3 GLY 39 HA3 GLY 39 30.827 11.666 -4.069 251 H GLU 40 H GLU 40 27.851 13.111 -4.809 252 HA GLU 40 HA GLU 40 26.975 13.100 -2.097 253 HB2 GLU 40 HB2 GLU 40 26.132 14.322 -4.627 254 HB3 GLU 40 HB3 GLU 40 24.784 13.874 -3.596 255 HG2 GLU 40 HG2 GLU 40 25.350 16.151 -3.173 256 HG3 GLU 40 HG3 GLU 40 25.807 15.194 -1.767 257 HA PRO 41 HA PRO 41 24.818 9.112 -2.508 258 HB2 PRO 41 HB2 PRO 41 24.028 9.717 0.271 259 HB3 PRO 41 HB3 PRO 41 24.900 8.316 -0.358 260 HG2 PRO 41 HG2 PRO 41 26.125 10.185 1.131 261 HG3 PRO 41 HG3 PRO 41 26.957 9.359 -0.199 262 HD2 PRO 41 HD2 PRO 41 25.754 12.097 -0.120 263 HD3 PRO 41 HD3 PRO 41 27.278 11.552 -0.855 264 H CYS 42 H CYS 42 22.475 8.477 -2.070 265 HA CYS 42 HA CYS 42 20.755 10.575 -2.941 266 HB2 CYS 42 HB2 CYS 42 19.006 8.927 -2.967 267 HB3 CYS 42 HB3 CYS 42 20.469 8.138 -3.532 268 HA PRO 43 HA PRO 43 19.374 12.432 0.764 269 HB2 PRO 43 HB2 PRO 43 16.693 12.710 0.386 270 HB3 PRO 43 HB3 PRO 43 17.911 13.650 -0.493 271 HG2 PRO 43 HG2 PRO 43 16.471 11.164 -1.339 272 HG3 PRO 43 HG3 PRO 43 16.701 12.680 -2.234 273 HD2 PRO 43 HD2 PRO 43 18.242 10.581 -2.712 274 HD3 PRO 43 HD3 PRO 43 18.929 12.217 -2.690 275 H ALA 44 H ALA 44 18.975 9.245 0.587 276 HA ALA 44 HA ALA 44 17.048 8.979 2.782 277 HB1 ALA 44 HB1 ALA 44 17.264 6.564 2.416 278 HB2 ALA 44 HB2 ALA 44 18.514 6.855 1.207 279 HB3 ALA 44 HB3 ALA 44 16.862 7.397 0.915 280 HA PRO 45 HA PRO 45 20.462 9.025 5.610 281 HB2 PRO 45 HB2 PRO 45 19.159 8.461 7.884 282 HB3 PRO 45 HB3 PRO 45 18.936 10.001 7.044 283 HG2 PRO 45 HG2 PRO 45 17.194 7.568 7.033 284 HG3 PRO 45 HG3 PRO 45 16.728 9.275 7.137 285 HD2 PRO 45 HD2 PRO 45 16.646 7.804 4.822 286 HD3 PRO 45 HD3 PRO 45 16.842 9.565 4.865 287 H ASP 46 H ASP 46 18.338 6.238 5.399 288 HA ASP 46 HA ASP 46 20.142 4.539 6.885 289 HB2 ASP 46 HB2 ASP 46 18.564 2.735 6.313 290 HB3 ASP 46 HB3 ASP 46 17.721 4.128 6.979 291 H CYS 47 H CYS 47 19.779 5.627 3.710 292 HA CYS 47 HA CYS 47 21.226 3.381 2.585 293 HB2 CYS 47 HB2 CYS 47 19.228 4.634 1.503 294 HB3 CYS 47 HB3 CYS 47 20.444 5.832 1.065 295 H HIS 48 H HIS 48 23.297 3.544 1.733 296 HA HIS 48 HA HIS 48 24.722 6.078 2.163 297 HB2 HIS 48 HB2 HIS 48 25.633 3.376 3.191 298 HB3 HIS 48 HB3 HIS 48 26.643 4.812 3.151 299 HD1 HIS 48 HD1 HIS 48 26.449 6.406 5.115 300 HD2 HIS 48 HD2 HIS 48 23.424 3.556 5.047 301 HE1 HIS 48 HE1 HIS 48 25.247 6.634 7.303 302 HE2 HIS 48 HE2 HIS 48 23.586 4.747 7.321 303 H CYS 49 H CYS 49 23.832 5.021 -0.300 304 HA CYS 49 HA CYS 49 26.039 3.664 -1.570 305 HB2 CYS 49 HB2 CYS 49 24.665 3.815 -3.594 306 HB3 CYS 49 HB3 CYS 49 23.732 3.190 -2.242 307 H GLU 50 H GLU 50 27.591 4.586 -2.780 308 HA GLU 50 HA GLU 50 27.440 7.186 -3.912 309 HB2 GLU 50 HB2 GLU 50 29.206 8.245 -2.487 310 HB3 GLU 50 HB3 GLU 50 27.669 7.990 -1.671 311 HG2 GLU 50 HG2 GLU 50 28.601 5.959 -0.625 312 HG3 GLU 50 HG3 GLU 50 30.156 6.326 -1.371 313 H ARG 51 H ARG 51 29.696 4.818 -2.554 314 HA ARG 51 HA ARG 51 31.581 5.255 -4.692 315 HB2 ARG 51 HB2 ARG 51 32.802 3.334 -3.534 316 HB3 ARG 51 HB3 ARG 51 32.618 4.832 -2.634 317 HG2 ARG 51 HG2 ARG 51 31.140 3.915 -1.144 318 HG3 ARG 51 HG3 ARG 51 30.595 2.683 -2.283 319 HD2 ARG 51 HD2 ARG 51 33.376 2.710 -1.157 320 HD3 ARG 51 HD3 ARG 51 32.037 1.911 -0.337 321 HE ARG 51 HE ARG 51 32.998 1.199 -3.037 322 HH11 ARG 51 HH11 ARG 51 31.609 0.312 0.066 323 HH12 ARG 51 HH12 ARG 51 31.454 -1.358 -0.331 324 HH21 ARG 51 HH21 ARG 51 32.808 -1.018 -3.561 325 HH22 ARG 51 HH22 ARG 51 32.154 -2.125 -2.404 326 H SER 52 H SER 52 29.378 4.561 -5.931 327 HA SER 52 HA SER 52 29.154 1.739 -6.367 328 HB2 SER 52 HB2 SER 52 27.274 3.393 -6.710 329 HB3 SER 52 HB3 SER 52 28.133 3.989 -8.128 330 HG SER 52 HG SER 52 27.063 1.393 -7.686 331 H GLY 53 H GLY 53 29.513 0.821 -8.604 332 HA2 GLY 53 HA2 GLY 53 32.238 1.334 -9.352 333 HA3 GLY 53 HA3 GLY 53 31.165 0.145 -10.075 334 H LYS 54 H LYS 54 29.954 0.687 -11.854 335 HA LYS 54 HA LYS 54 30.195 3.389 -12.879 336 HB2 LYS 54 HB2 LYS 54 30.814 2.519 -15.149 337 HB3 LYS 54 HB3 LYS 54 32.077 2.368 -13.940 338 HG2 LYS 54 HG2 LYS 54 31.379 -0.019 -13.645 339 HG3 LYS 54 HG3 LYS 54 30.303 0.192 -15.022 340 HD2 LYS 54 HD2 LYS 54 33.284 0.674 -15.125 341 HD3 LYS 54 HD3 LYS 54 32.526 -0.856 -15.562 342 HE2 LYS 54 HE2 LYS 54 32.765 0.192 -17.621 343 HE3 LYS 54 HE3 LYS 54 31.109 0.594 -17.184 344 HZ1 LYS 54 HZ1 LYS 54 31.846 2.766 -16.466 345 HZ2 LYS 54 HZ2 LYS 54 32.338 2.493 -18.050 346 HZ3 LYS 54 HZ3 LYS 54 33.455 2.369 -16.794 347 H VAL 55 H VAL 55 28.155 3.946 -12.967 348 HA VAL 55 HA VAL 55 26.112 2.060 -13.811 349 HB VAL 55 HB VAL 55 25.810 4.958 -12.969 350 HG11 VAL 55 HG11 VAL 55 23.928 4.133 -14.277 351 HG12 VAL 55 HG12 VAL 55 23.462 4.378 -12.594 352 HG13 VAL 55 HG13 VAL 55 23.768 2.749 -13.196 353 HG21 VAL 55 HG21 VAL 55 26.780 3.636 -11.163 354 HG22 VAL 55 HG22 VAL 55 25.489 2.445 -11.326 355 HG23 VAL 55 HG23 VAL 55 25.116 4.082 -10.785 356 H GLY 56 H GLY 56 25.377 1.958 -15.831 357 HA2 GLY 56 HA2 GLY 56 25.035 4.168 -17.540 358 HA3 GLY 56 HA3 GLY 56 26.546 3.363 -17.940 359 H GLY 57 H GLY 57 23.204 2.458 -17.164 360 HA2 GLY 57 HA2 GLY 57 23.351 0.515 -19.376 361 HA3 GLY 57 HA3 GLY 57 22.381 0.286 -17.929 362 H ARG 58 H ARG 58 22.527 1.681 -21.062 363 HA ARG 58 HA ARG 58 20.336 3.442 -20.779 364 HB2 ARG 58 HB2 ARG 58 20.302 3.519 -23.235 365 HB3 ARG 58 HB3 ARG 58 21.916 3.744 -22.588 366 HG2 ARG 58 HG2 ARG 58 22.389 1.361 -23.103 367 HG3 ARG 58 HG3 ARG 58 20.805 1.264 -23.876 368 HD2 ARG 58 HD2 ARG 58 23.054 3.113 -24.643 369 HD3 ARG 58 HD3 ARG 58 22.558 1.669 -25.525 370 HE ARG 58 HE ARG 58 20.312 2.951 -25.667 371 HH11 ARG 58 HH11 ARG 58 23.507 4.415 -25.809 372 HH12 ARG 58 HH12 ARG 58 22.995 5.736 -26.800 373 HH21 ARG 58 HH21 ARG 58 19.642 4.705 -26.986 374 HH22 ARG 58 HH22 ARG 58 20.792 5.907 -27.467 375 H ASP 59 H ASP 59 18.355 2.883 -20.318 376 HA ASP 59 HA ASP 59 17.401 0.194 -20.898 377 HB2 ASP 59 HB2 ASP 59 17.097 1.436 -18.663 378 HB3 ASP 59 HB3 ASP 59 15.861 2.376 -19.490 379 H ILE 60 H ILE 60 14.939 0.168 -21.545 380 HA ILE 60 HA ILE 60 14.709 1.885 -23.915 381 HB ILE 60 HB ILE 60 13.248 -0.722 -23.459 382 HG12 ILE 60 HG12 ILE 60 15.770 -0.272 -25.072 383 HG13 ILE 60 HG13 ILE 60 15.715 -1.066 -23.502 384 HG21 ILE 60 HG21 ILE 60 12.228 0.805 -25.078 385 HG22 ILE 60 HG22 ILE 60 12.880 -0.623 -25.881 386 HG23 ILE 60 HG23 ILE 60 13.756 0.905 -25.953 387 HD11 ILE 60 HD11 ILE 60 15.838 -2.690 -25.287 388 HD12 ILE 60 HD12 ILE 60 14.383 -2.020 -26.023 389 HD13 ILE 60 HD13 ILE 60 14.292 -2.812 -24.450 390 H THR 61 H THR 61 13.747 3.597 -22.816 391 HA THR 61 HA THR 61 11.084 3.051 -21.716 392 HB THR 61 HB THR 61 12.805 5.490 -21.237 393 HG1 THR 61 HG1 THR 61 13.493 4.514 -19.407 394 HG21 THR 61 HG21 THR 61 10.325 4.447 -19.862 395 HG22 THR 61 HG22 THR 61 10.424 5.867 -20.905 396 HG23 THR 61 HG23 THR 61 11.262 5.853 -19.353 397 H ASN 62 H ASN 62 12.893 5.557 -23.500 398 HA ASN 62 HA ASN 62 12.326 6.993 -25.145 399 HB2 ASN 62 HB2 ASN 62 10.237 4.875 -25.656 400 HB3 ASN 62 HB3 ASN 62 10.354 6.321 -26.651 401 HD21 ASN 62 HD21 ASN 62 12.112 6.578 -28.010 402 HD22 ASN 62 HD22 ASN 62 13.164 5.267 -28.420 403 H ASN 63 H ASN 63 10.095 8.098 -26.113 404 HA ASN 63 HA ASN 63 8.450 9.614 -25.713 405 HB2 ASN 63 HB2 ASN 63 7.949 7.970 -23.218 406 HB3 ASN 63 HB3 ASN 63 6.881 9.228 -23.826 407 HD21 ASN 63 HD21 ASN 63 7.159 8.599 -26.589 408 HD22 ASN 63 HD22 ASN 63 6.356 7.099 -26.860 409 H GLN 64 H GLN 64 10.071 11.182 -25.523 410 HA GLN 64 HA GLN 64 10.985 11.890 -22.868 411 HB2 GLN 64 HB2 GLN 64 12.252 13.692 -23.933 412 HB3 GLN 64 HB3 GLN 64 12.538 12.166 -24.747 413 HG2 GLN 64 HG2 GLN 64 11.062 12.831 -26.556 414 HG3 GLN 64 HG3 GLN 64 10.681 14.331 -25.715 415 HE21 GLN 64 HE21 GLN 64 11.437 15.588 -27.387 416 HE22 GLN 64 HE22 GLN 64 13.128 15.776 -27.724 417 H LEU 65 H LEU 65 8.744 13.119 -25.264 418 HA LEU 65 HA LEU 65 6.992 14.549 -25.158 419 HB2 LEU 65 HB2 LEU 65 7.155 14.157 -22.172 420 HB3 LEU 65 HB3 LEU 65 5.759 14.692 -23.082 421 HG LEU 65 HG LEU 65 7.001 11.947 -23.126 422 HD11 LEU 65 HD11 LEU 65 5.656 12.397 -21.159 423 HD12 LEU 65 HD12 LEU 65 4.857 11.235 -22.217 424 HD13 LEU 65 HD13 LEU 65 4.313 12.912 -22.179 425 HD21 LEU 65 HD21 LEU 65 5.184 11.332 -24.653 426 HD22 LEU 65 HD22 LEU 65 6.265 12.537 -25.357 427 HD23 LEU 65 HD23 LEU 65 4.689 13.025 -24.733 428 H ASP 66 H ASP 66 6.174 16.608 -23.746 429 HA ASP 66 HA ASP 66 8.424 18.210 -22.864 430 HB2 ASP 66 HB2 ASP 66 8.433 18.751 -25.214 431 HB3 ASP 66 HB3 ASP 66 6.695 19.045 -25.197 432 H GLU 67 H GLU 67 7.868 19.172 -21.081 433 HA GLU 67 HA GLU 67 5.111 20.122 -20.774 434 HB2 GLU 67 HB2 GLU 67 6.725 18.580 -18.735 435 HB3 GLU 67 HB3 GLU 67 5.242 19.446 -18.358 436 HG2 GLU 67 HG2 GLU 67 4.010 18.026 -19.917 437 HG3 GLU 67 HG3 GLU 67 5.497 17.163 -20.306 438 H ALA 68 H ALA 68 7.695 21.371 -21.484 439 HA ALA 68 HA ALA 68 8.435 23.010 -19.240 440 HB1 ALA 68 HB1 ALA 68 10.089 22.412 -20.946 441 HB2 ALA 68 HB2 ALA 68 9.883 24.161 -20.851 442 HB3 ALA 68 HB3 ALA 68 9.138 23.256 -22.169 443 H LEU 69 H LEU 69 8.113 25.321 -19.162 444 HA LEU 69 HA LEU 69 5.971 26.308 -20.866 445 HB2 LEU 69 HB2 LEU 69 4.848 27.234 -18.753 446 HB3 LEU 69 HB3 LEU 69 4.619 25.546 -19.158 447 HG LEU 69 HG LEU 69 6.505 25.058 -17.500 448 HD11 LEU 69 HD11 LEU 69 6.818 26.700 -15.718 449 HD12 LEU 69 HD12 LEU 69 5.831 27.858 -16.609 450 HD13 LEU 69 HD13 LEU 69 7.373 27.316 -17.274 451 HD21 LEU 69 HD21 LEU 69 4.965 25.105 -15.598 452 HD22 LEU 69 HD22 LEU 69 4.182 24.521 -17.066 453 HD23 LEU 69 HD23 LEU 69 3.886 26.167 -16.503 454 H GLU 70 H GLU 70 5.715 28.544 -20.915 455 HA GLU 70 HA GLU 70 7.995 30.079 -19.858 456 HB2 GLU 70 HB2 GLU 70 6.543 30.222 -22.475 457 HB3 GLU 70 HB3 GLU 70 7.282 31.674 -21.820 458 HG2 GLU 70 HG2 GLU 70 8.855 29.148 -22.122 459 HG3 GLU 70 HG3 GLU 70 8.611 30.241 -23.483 460 H GLU 71 H GLU 71 4.654 30.501 -21.010 461 HA GLU 71 HA GLU 71 2.942 31.816 -20.336 462 HB2 GLU 71 HB2 GLU 71 4.149 31.295 -17.614 463 HB3 GLU 71 HB3 GLU 71 2.544 31.957 -17.891 464 HG2 GLU 71 HG2 GLU 71 1.916 29.899 -19.067 465 HG3 GLU 71 HG3 GLU 71 3.516 29.239 -18.738 466 H THR 72 H THR 72 3.930 33.590 -21.469 467 HA THR 72 HA THR 72 4.152 35.902 -19.824 468 HB THR 72 HB THR 72 6.449 35.056 -19.574 469 HG1 THR 72 HG1 THR 72 7.413 36.982 -20.948 470 HG21 THR 72 HG21 THR 72 6.620 35.262 -22.584 471 HG22 THR 72 HG22 THR 72 6.569 33.761 -21.663 472 HG23 THR 72 HG23 THR 72 7.945 34.848 -21.495 473 H PHE 73 H PHE 73 4.687 37.834 -21.259 474 HA PHE 73 HA PHE 73 3.556 37.405 -23.932 475 HB2 PHE 73 HB2 PHE 73 3.196 39.770 -22.078 476 HB3 PHE 73 HB3 PHE 73 2.675 39.747 -23.759 477 HD1 PHE 73 HD1 PHE 73 1.813 38.954 -20.399 478 HD2 PHE 73 HD2 PHE 73 1.006 37.953 -24.454 479 HE1 PHE 73 HE1 PHE 73 -0.317 37.929 -19.719 480 HE2 PHE 73 HE2 PHE 73 -1.123 36.926 -23.782 481 HZ PHE 73 HZ PHE 73 -1.788 36.914 -21.412 482 HA PRO 74 HA PRO 74 7.283 39.075 -25.553 483 HB2 PRO 74 HB2 PRO 74 5.761 40.462 -27.654 484 HB3 PRO 74 HB3 PRO 74 6.907 39.127 -27.802 485 HG2 PRO 74 HG2 PRO 74 4.265 38.782 -28.187 486 HG3 PRO 74 HG3 PRO 74 5.286 37.523 -27.468 487 HD2 PRO 74 HD2 PRO 74 3.422 39.444 -26.131 488 HD3 PRO 74 HD3 PRO 74 3.686 37.716 -25.811 489 H ALA 75 H ALA 75 8.281 41.157 -26.360 490 HA ALA 75 HA ALA 75 8.003 43.220 -24.517 491 HB1 ALA 75 HB1 ALA 75 9.110 43.393 -27.316 492 HB2 ALA 75 HB2 ALA 75 10.006 42.864 -25.893 493 HB3 ALA 75 HB3 ALA 75 9.423 44.522 -26.001 494 H SER 76 H SER 76 6.763 42.932 -27.811 495 HA SER 76 HA SER 76 5.161 45.307 -27.502 496 HB2 SER 76 HB2 SER 76 4.358 44.429 -29.844 497 HB3 SER 76 HB3 SER 76 5.958 45.152 -29.672 498 HG SER 76 HG SER 76 5.562 42.895 -30.715 499 H ASP 77 H ASP 77 4.052 44.369 -25.633 500 HA ASP 77 HA ASP 77 2.346 42.121 -25.960 501 HB2 ASP 77 HB2 ASP 77 1.418 42.773 -23.750 502 HB3 ASP 77 HB3 ASP 77 3.172 42.653 -23.751 503 HA PRO 78 HA PRO 78 -1.125 43.959 -27.962 504 HB2 PRO 78 HB2 PRO 78 -2.813 42.136 -26.368 505 HB3 PRO 78 HB3 PRO 78 -2.613 42.234 -28.119 506 HG2 PRO 78 HG2 PRO 78 -1.591 40.204 -26.706 507 HG3 PRO 78 HG3 PRO 78 -0.753 40.872 -28.118 508 HD2 PRO 78 HD2 PRO 78 -0.214 41.307 -25.211 509 HD3 PRO 78 HD3 PRO 78 0.924 41.086 -26.558 510 H ILE 79 H ILE 79 -3.165 45.034 -27.502 511 HA ILE 79 HA ILE 79 -2.995 46.619 -25.110 512 HB ILE 79 HB ILE 79 -5.192 46.582 -27.195 513 HG12 ILE 79 HG12 ILE 79 -3.030 47.049 -28.253 514 HG13 ILE 79 HG13 ILE 79 -4.034 48.493 -28.230 515 HG21 ILE 79 HG21 ILE 79 -5.861 47.661 -25.122 516 HG22 ILE 79 HG22 ILE 79 -5.671 48.857 -26.404 517 HG23 ILE 79 HG23 ILE 79 -4.424 48.683 -25.170 518 HD11 ILE 79 HD11 ILE 79 -1.747 47.888 -26.367 519 HD12 ILE 79 HD12 ILE 79 -2.762 49.328 -26.309 520 HD13 ILE 79 HD13 ILE 79 -1.734 49.031 -27.710 521 H SER 80 H SER 80 -3.892 46.156 -23.240 522 HA SER 80 HA SER 80 -5.723 43.950 -23.023 523 HB2 SER 80 HB2 SER 80 -5.530 44.495 -20.545 524 HB3 SER 80 HB3 SER 80 -4.029 44.050 -21.356 525 HG SER 80 HG SER 80 -4.020 45.975 -19.933 526 HA PRO 81 HA PRO 81 -9.290 46.594 -22.886 527 HB2 PRO 81 HB2 PRO 81 -11.152 44.804 -22.272 528 HB3 PRO 81 HB3 PRO 81 -10.259 44.683 -23.794 529 HG2 PRO 81 HG2 PRO 81 -9.920 43.124 -21.272 530 HG3 PRO 81 HG3 PRO 81 -9.791 42.581 -22.952 531 HD2 PRO 81 HD2 PRO 81 -7.650 43.267 -21.276 532 HD3 PRO 81 HD3 PRO 81 -7.579 43.103 -23.041 Start of MODEL 16 1 HA ASN 1 HA ASN 1 3.316 12.689 -16.822 2 HB2 ASN 1 HB2 ASN 1 0.954 13.459 -16.253 3 HB3 ASN 1 HB3 ASN 1 1.532 13.771 -14.621 4 HD21 ASN 1 HD21 ASN 1 1.058 15.960 -14.802 5 HD22 ASN 1 HD22 ASN 1 1.996 17.046 -15.765 6 H GLU 2 H GLU 2 3.926 10.870 -14.330 7 HA GLU 2 HA GLU 2 5.356 12.687 -12.609 8 HB2 GLU 2 HB2 GLU 2 5.345 9.666 -12.693 9 HB3 GLU 2 HB3 GLU 2 6.139 10.637 -11.466 10 HG2 GLU 2 HG2 GLU 2 3.938 11.565 -10.836 11 HG3 GLU 2 HG3 GLU 2 3.185 10.476 -12.002 12 H LEU 3 H LEU 3 7.651 12.399 -12.169 13 HA LEU 3 HA LEU 3 9.122 11.873 -14.635 14 HB2 LEU 3 HB2 LEU 3 9.419 13.849 -12.460 15 HB3 LEU 3 HB3 LEU 3 10.910 13.167 -13.077 16 HG LEU 3 HG LEU 3 10.305 15.312 -14.151 17 HD11 LEU 3 HD11 LEU 3 10.242 12.948 -16.019 18 HD12 LEU 3 HD12 LEU 3 11.689 13.668 -15.318 19 HD13 LEU 3 HD13 LEU 3 10.696 14.600 -16.436 20 HD21 LEU 3 HD21 LEU 3 8.005 13.776 -15.350 21 HD22 LEU 3 HD22 LEU 3 8.439 15.455 -15.671 22 HD23 LEU 3 HD23 LEU 3 7.850 14.983 -14.077 23 H ARG 4 H ARG 4 11.092 10.758 -14.500 24 HA ARG 4 HA ARG 4 11.167 8.949 -12.189 25 HB2 ARG 4 HB2 ARG 4 10.510 8.019 -14.478 26 HB3 ARG 4 HB3 ARG 4 12.186 8.283 -14.936 27 HG2 ARG 4 HG2 ARG 4 12.914 6.799 -13.147 28 HG3 ARG 4 HG3 ARG 4 11.231 6.537 -12.682 29 HD2 ARG 4 HD2 ARG 4 12.485 5.851 -15.327 30 HD3 ARG 4 HD3 ARG 4 12.044 4.710 -14.059 31 HE ARG 4 HE ARG 4 9.690 5.840 -14.528 32 HH11 ARG 4 HH11 ARG 4 12.103 4.684 -16.806 33 HH12 ARG 4 HH12 ARG 4 10.950 4.304 -18.036 34 HH21 ARG 4 HH21 ARG 4 8.162 5.334 -16.153 35 HH22 ARG 4 HH22 ARG 4 8.693 4.685 -17.668 36 H CYS 5 H CYS 5 13.213 8.309 -11.426 37 HA CYS 5 HA CYS 5 15.175 10.382 -11.659 38 HB2 CYS 5 HB2 CYS 5 14.690 9.362 -9.492 39 HB3 CYS 5 HB3 CYS 5 15.209 7.799 -10.095 40 H GLY 6 H GLY 6 17.343 10.088 -12.277 41 HA2 GLY 6 HA2 GLY 6 17.596 8.328 -14.563 42 HA3 GLY 6 HA3 GLY 6 18.728 9.578 -14.077 43 H CYS 7 H CYS 7 18.382 8.091 -11.277 44 HA CYS 7 HA CYS 7 20.682 6.397 -11.757 45 HB2 CYS 7 HB2 CYS 7 20.826 7.828 -9.819 46 HB3 CYS 7 HB3 CYS 7 19.299 7.226 -9.197 47 HA PRO 8 HA PRO 8 17.910 2.940 -12.335 48 HB2 PRO 8 HB2 PRO 8 19.900 1.078 -12.592 49 HB3 PRO 8 HB3 PRO 8 19.350 2.132 -13.896 50 HG2 PRO 8 HG2 PRO 8 21.729 2.417 -12.108 51 HG3 PRO 8 HG3 PRO 8 21.600 2.705 -13.852 52 HD2 PRO 8 HD2 PRO 8 21.589 4.712 -12.069 53 HD3 PRO 8 HD3 PRO 8 20.632 4.783 -13.563 54 H ASP 9 H ASP 9 20.454 3.138 -9.950 55 HA ASP 9 HA ASP 9 19.474 0.814 -8.511 56 HB2 ASP 9 HB2 ASP 9 21.815 2.642 -8.189 57 HB3 ASP 9 HB3 ASP 9 21.288 1.655 -6.830 58 H CYS 10 H CYS 10 18.816 4.073 -8.660 59 HA CYS 10 HA CYS 10 18.142 4.374 -5.874 60 HB2 CYS 10 HB2 CYS 10 19.072 6.272 -7.025 61 HB3 CYS 10 HB3 CYS 10 17.796 6.199 -8.239 62 H HIS 11 H HIS 11 16.131 4.457 -5.018 63 HA HIS 11 HA HIS 11 13.902 3.834 -6.831 64 HB2 HIS 11 HB2 HIS 11 14.364 2.770 -4.040 65 HB3 HIS 11 HB3 HIS 11 12.859 2.575 -4.932 66 HD2 HIS 11 HD2 HIS 11 16.632 1.641 -5.666 67 HE1 HIS 11 HE1 HIS 11 14.102 -1.431 -7.123 68 HE2 HIS 11 HE2 HIS 11 16.447 -0.542 -7.042 69 H CYS 12 H CYS 12 13.236 5.931 -7.036 70 HA CYS 12 HA CYS 12 11.928 7.057 -4.670 71 HB2 CYS 12 HB2 CYS 12 14.153 8.303 -6.173 72 HB3 CYS 12 HB3 CYS 12 12.814 9.355 -5.740 73 H LYS 13 H LYS 13 10.639 9.043 -5.284 74 HA LYS 13 HA LYS 13 9.340 8.633 -7.877 75 HB2 LYS 13 HB2 LYS 13 7.316 9.677 -6.743 76 HB3 LYS 13 HB3 LYS 13 7.742 8.059 -6.207 77 HG2 LYS 13 HG2 LYS 13 8.652 8.879 -4.167 78 HG3 LYS 13 HG3 LYS 13 8.588 10.547 -4.734 79 HD2 LYS 13 HD2 LYS 13 6.781 10.045 -3.141 80 HD3 LYS 13 HD3 LYS 13 6.158 10.479 -4.732 81 HE2 LYS 13 HE2 LYS 13 5.873 8.082 -5.245 82 HE3 LYS 13 HE3 LYS 13 6.443 7.684 -3.625 83 HZ1 LYS 13 HZ1 LYS 13 4.031 9.295 -4.251 84 HZ2 LYS 13 HZ2 LYS 13 4.566 8.864 -2.701 85 HZ3 LYS 13 HZ3 LYS 13 4.027 7.673 -3.771 86 H VAL 14 H VAL 14 9.940 10.196 -9.199 87 HA VAL 14 HA VAL 14 10.746 12.771 -8.093 88 HB VAL 14 HB VAL 14 10.945 11.907 -10.983 89 HG11 VAL 14 HG11 VAL 14 12.732 13.572 -11.063 90 HG12 VAL 14 HG12 VAL 14 12.402 13.995 -9.383 91 HG13 VAL 14 HG13 VAL 14 11.178 14.282 -10.624 92 HG21 VAL 14 HG21 VAL 14 12.149 10.265 -9.698 93 HG22 VAL 14 HG22 VAL 14 12.955 11.530 -8.774 94 HG23 VAL 14 HG23 VAL 14 13.310 11.335 -10.492 95 H ASP 15 H ASP 15 9.447 14.445 -8.105 96 HA ASP 15 HA ASP 15 6.937 14.282 -9.535 97 HB2 ASP 15 HB2 ASP 15 8.026 16.152 -7.449 98 HB3 ASP 15 HB3 ASP 15 6.532 16.501 -8.313 99 HA PRO 16 HA PRO 16 8.232 16.659 -13.029 100 HB2 PRO 16 HB2 PRO 16 5.795 17.864 -13.567 101 HB3 PRO 16 HB3 PRO 16 6.247 16.240 -14.088 102 HG2 PRO 16 HG2 PRO 16 4.616 17.090 -11.733 103 HG3 PRO 16 HG3 PRO 16 4.369 15.721 -12.833 104 HD2 PRO 16 HD2 PRO 16 5.401 15.375 -10.392 105 HD3 PRO 16 HD3 PRO 16 5.984 14.427 -11.774 106 H GLU 17 H GLU 17 6.747 18.112 -10.250 107 HA GLU 17 HA GLU 17 7.450 20.793 -11.155 108 HB2 GLU 17 HB2 GLU 17 5.991 19.899 -8.662 109 HB3 GLU 17 HB3 GLU 17 6.244 21.567 -9.149 110 HG2 GLU 17 HG2 GLU 17 4.909 21.192 -11.162 111 HG3 GLU 17 HG3 GLU 17 4.666 19.512 -10.692 112 H ARG 18 H ARG 18 9.052 18.324 -9.713 113 HA ARG 18 HA ARG 18 11.011 20.129 -8.541 114 HB2 ARG 18 HB2 ARG 18 9.568 18.011 -6.974 115 HB3 ARG 18 HB3 ARG 18 11.201 18.497 -6.544 116 HG2 ARG 18 HG2 ARG 18 10.397 20.824 -6.313 117 HG3 ARG 18 HG3 ARG 18 8.758 20.248 -6.620 118 HD2 ARG 18 HD2 ARG 18 8.889 18.804 -4.666 119 HD3 ARG 18 HD3 ARG 18 10.543 19.341 -4.367 120 HE ARG 18 HE ARG 18 9.156 21.653 -4.377 121 HH11 ARG 18 HH11 ARG 18 8.716 18.624 -2.664 122 HH12 ARG 18 HH12 ARG 18 7.928 19.356 -1.311 123 HH21 ARG 18 HH21 ARG 18 8.146 22.635 -2.557 124 HH22 ARG 18 HH22 ARG 18 7.615 21.646 -1.243 125 H VAL 19 H VAL 19 11.112 18.633 -10.908 126 HA VAL 19 HA VAL 19 12.789 16.342 -10.282 127 HB VAL 19 HB VAL 19 11.283 15.848 -12.072 128 HG11 VAL 19 HG11 VAL 19 11.200 17.182 -14.149 129 HG12 VAL 19 HG12 VAL 19 12.256 18.375 -13.391 130 HG13 VAL 19 HG13 VAL 19 10.646 18.074 -12.733 131 HG21 VAL 19 HG21 VAL 19 13.529 14.985 -12.402 132 HG22 VAL 19 HG22 VAL 19 13.982 16.455 -13.264 133 HG23 VAL 19 HG23 VAL 19 12.769 15.371 -13.947 134 H PHE 20 H PHE 20 14.896 16.500 -10.084 135 HA PHE 20 HA PHE 20 16.256 18.896 -10.911 136 HB2 PHE 20 HB2 PHE 20 17.024 16.435 -9.384 137 HB3 PHE 20 HB3 PHE 20 18.259 17.544 -9.975 138 HD1 PHE 20 HD1 PHE 20 15.250 17.312 -7.827 139 HD2 PHE 20 HD2 PHE 20 18.724 19.531 -8.861 140 HE1 PHE 20 HE1 PHE 20 14.900 18.759 -5.868 141 HE2 PHE 20 HE2 PHE 20 18.388 20.985 -6.907 142 HZ PHE 20 HZ PHE 20 16.470 20.601 -5.406 143 H ASN 21 H ASN 21 16.658 19.065 -13.008 144 HA ASN 21 HA ASN 21 17.294 16.668 -14.526 145 HB2 ASN 21 HB2 ASN 21 16.713 19.490 -15.422 146 HB3 ASN 21 HB3 ASN 21 17.177 18.198 -16.512 147 HD21 ASN 21 HD21 ASN 21 14.672 19.410 -14.431 148 HD22 ASN 21 HD22 ASN 21 13.408 18.404 -15.029 149 H HIS 22 H HIS 22 19.125 16.320 -15.582 150 HA HIS 22 HA HIS 22 21.263 18.300 -15.373 151 HB2 HIS 22 HB2 HIS 22 21.647 16.619 -13.594 152 HB3 HIS 22 HB3 HIS 22 21.570 15.341 -14.796 153 HD2 HIS 22 HD2 HIS 22 24.053 18.128 -13.626 154 HE1 HIS 22 HE1 HIS 22 26.072 15.573 -16.339 155 HE2 HIS 22 HE2 HIS 22 26.299 17.502 -14.746 156 H ASP 23 H ASP 23 21.571 18.841 -17.415 157 HA ASP 23 HA ASP 23 22.090 18.734 -19.618 158 HB2 ASP 23 HB2 ASP 23 23.892 17.214 -18.737 159 HB3 ASP 23 HB3 ASP 23 22.845 15.847 -19.088 160 H GLY 24 H GLY 24 19.443 17.993 -18.590 161 HA2 GLY 24 HA2 GLY 24 17.502 17.765 -19.938 162 HA3 GLY 24 HA3 GLY 24 18.437 16.800 -21.069 163 H GLU 25 H GLU 25 19.353 15.551 -18.252 164 HA GLU 25 HA GLU 25 17.380 13.413 -18.451 165 HB2 GLU 25 HB2 GLU 25 20.167 13.491 -18.015 166 HB3 GLU 25 HB3 GLU 25 19.431 12.883 -16.534 167 HG2 GLU 25 HG2 GLU 25 18.306 11.145 -17.768 168 HG3 GLU 25 HG3 GLU 25 18.937 11.779 -19.287 169 H ALA 26 H ALA 26 16.193 12.697 -16.719 170 HA ALA 26 HA ALA 26 15.738 14.719 -14.677 171 HB1 ALA 26 HB1 ALA 26 13.813 13.919 -15.892 172 HB2 ALA 26 HB2 ALA 26 13.700 13.433 -14.197 173 HB3 ALA 26 HB3 ALA 26 14.174 12.257 -15.422 174 H TYR 27 H TYR 27 15.933 14.396 -12.530 175 HA TYR 27 HA TYR 27 16.753 11.786 -11.518 176 HB2 TYR 27 HB2 TYR 27 18.352 14.336 -11.228 177 HB3 TYR 27 HB3 TYR 27 18.581 12.944 -10.170 178 HD1 TYR 27 HD1 TYR 27 19.325 14.438 -13.379 179 HD2 TYR 27 HD2 TYR 27 19.398 10.794 -11.182 180 HE1 TYR 27 HE1 TYR 27 20.907 13.491 -15.007 181 HE2 TYR 27 HE2 TYR 27 20.980 9.841 -12.795 182 HH TYR 27 HH TYR 27 21.432 10.553 -15.566 183 H CYS 28 H CYS 28 16.564 11.669 -9.125 184 HA CYS 28 HA CYS 28 14.171 12.999 -8.290 185 HB2 CYS 28 HB2 CYS 28 14.271 11.668 -6.322 186 HB3 CYS 28 HB3 CYS 28 14.860 10.648 -7.628 187 H SER 29 H SER 29 17.546 13.500 -7.811 188 HA SER 29 HA SER 29 17.054 16.055 -6.631 189 HB2 SER 29 HB2 SER 29 16.913 14.651 -4.623 190 HB3 SER 29 HB3 SER 29 18.452 13.901 -5.001 191 HG SER 29 HG SER 29 17.901 16.495 -4.087 192 H GLN 30 H GLN 30 19.041 17.266 -6.374 193 HA GLN 30 HA GLN 30 20.760 17.117 -8.552 194 HB2 GLN 30 HB2 GLN 30 20.255 19.065 -6.931 195 HB3 GLN 30 HB3 GLN 30 21.527 18.386 -5.930 196 HG2 GLN 30 HG2 GLN 30 23.157 18.763 -7.639 197 HG3 GLN 30 HG3 GLN 30 21.906 19.232 -8.790 198 HE21 GLN 30 HE21 GLN 30 23.700 20.181 -5.978 199 HE22 GLN 30 HE22 GLN 30 23.298 21.860 -6.030 200 H ALA 31 H ALA 31 20.891 15.535 -5.465 201 HA ALA 31 HA ALA 31 23.577 14.783 -5.311 202 HB1 ALA 31 HB1 ALA 31 21.948 14.487 -3.479 203 HB2 ALA 31 HB2 ALA 31 22.818 12.994 -3.829 204 HB3 ALA 31 HB3 ALA 31 21.163 13.206 -4.399 205 H CYS 32 H CYS 32 20.833 12.973 -6.758 206 HA CYS 32 HA CYS 32 22.559 10.991 -7.886 207 HB2 CYS 32 HB2 CYS 32 19.625 11.556 -8.015 208 HB3 CYS 32 HB3 CYS 32 20.335 10.511 -9.235 209 H ALA 33 H ALA 33 21.362 14.082 -8.879 210 HA ALA 33 HA ALA 33 21.501 13.825 -11.650 211 HB1 ALA 33 HB1 ALA 33 21.708 16.270 -11.691 212 HB2 ALA 33 HB2 ALA 33 22.074 16.272 -9.970 213 HB3 ALA 33 HB3 ALA 33 20.485 15.756 -10.531 214 H GLU 34 H GLU 34 23.986 14.631 -9.258 215 HA GLU 34 HA GLU 34 26.036 14.841 -11.267 216 HB2 GLU 34 HB2 GLU 34 26.218 14.829 -8.262 217 HB3 GLU 34 HB3 GLU 34 27.558 15.158 -9.355 218 HG2 GLU 34 HG2 GLU 34 25.899 16.972 -10.272 219 HG3 GLU 34 HG3 GLU 34 25.203 16.808 -8.667 220 H GLN 35 H GLN 35 24.443 12.271 -10.224 221 HA GLN 35 HA GLN 35 24.793 10.035 -10.176 222 HB2 GLN 35 HB2 GLN 35 27.313 10.711 -11.693 223 HB3 GLN 35 HB3 GLN 35 26.471 9.165 -11.690 224 HG2 GLN 35 HG2 GLN 35 24.578 10.134 -12.804 225 HG3 GLN 35 HG3 GLN 35 25.280 11.740 -12.683 226 HE21 GLN 35 HE21 GLN 35 24.428 10.279 -15.033 227 HE22 GLN 35 HE22 GLN 35 25.811 10.153 -16.059 228 H HIS 36 H HIS 36 25.562 11.370 -7.905 229 HA HIS 36 HA HIS 36 26.664 11.127 -5.938 230 HB2 HIS 36 HB2 HIS 36 27.488 8.424 -6.976 231 HB3 HIS 36 HB3 HIS 36 27.410 8.923 -5.290 232 HD1 HIS 36 HD1 HIS 36 24.936 9.339 -4.336 233 HD2 HIS 36 HD2 HIS 36 25.188 7.444 -8.023 234 HE1 HIS 36 HE1 HIS 36 22.682 8.314 -4.725 235 HA PRO 37 HA PRO 37 30.650 12.333 -7.926 236 HB2 PRO 37 HB2 PRO 37 30.892 14.626 -6.438 237 HB3 PRO 37 HB3 PRO 37 30.053 14.544 -7.990 238 HG2 PRO 37 HG2 PRO 37 28.926 14.511 -5.222 239 HG3 PRO 37 HG3 PRO 37 28.314 15.327 -6.672 240 HD2 PRO 37 HD2 PRO 37 27.258 13.017 -5.743 241 HD3 PRO 37 HD3 PRO 37 27.305 13.413 -7.471 242 H ASN 38 H ASN 38 29.815 12.745 -4.491 243 HA ASN 38 HA ASN 38 32.513 11.798 -3.771 244 HB2 ASN 38 HB2 ASN 38 30.458 13.303 -2.133 245 HB3 ASN 38 HB3 ASN 38 31.991 12.719 -1.504 246 HD21 ASN 38 HD21 ASN 38 33.518 13.364 -3.884 247 HD22 ASN 38 HD22 ASN 38 33.642 15.088 -3.922 248 H GLY 39 H GLY 39 29.976 10.296 -4.549 249 HA2 GLY 39 HA2 GLY 39 29.190 8.191 -3.984 250 HA3 GLY 39 HA3 GLY 39 30.219 8.231 -2.555 251 H GLU 40 H GLU 40 28.554 11.050 -2.637 252 HA GLU 40 HA GLU 40 26.998 10.491 -0.380 253 HB2 GLU 40 HB2 GLU 40 25.968 12.770 -0.862 254 HB3 GLU 40 HB3 GLU 40 27.711 12.739 -0.682 255 HG2 GLU 40 HG2 GLU 40 27.869 12.710 -3.204 256 HG3 GLU 40 HG3 GLU 40 26.134 13.004 -3.240 257 HA PRO 41 HA PRO 41 23.540 8.523 -2.454 258 HB2 PRO 41 HB2 PRO 41 22.004 8.161 -0.243 259 HB3 PRO 41 HB3 PRO 41 23.395 7.134 -0.614 260 HG2 PRO 41 HG2 PRO 41 23.206 9.459 1.269 261 HG3 PRO 41 HG3 PRO 41 23.981 7.883 1.515 262 HD2 PRO 41 HD2 PRO 41 25.383 10.100 0.871 263 HD3 PRO 41 HD3 PRO 41 25.863 8.481 0.318 264 H CYS 42 H CYS 42 21.154 8.944 -2.624 265 HA CYS 42 HA CYS 42 20.670 11.738 -2.869 266 HB2 CYS 42 HB2 CYS 42 18.515 11.110 -3.745 267 HB3 CYS 42 HB3 CYS 42 19.689 9.956 -4.359 268 HA PRO 43 HA PRO 43 18.979 12.806 1.055 269 HB2 PRO 43 HB2 PRO 43 16.890 14.415 0.417 270 HB3 PRO 43 HB3 PRO 43 18.581 14.884 0.166 271 HG2 PRO 43 HG2 PRO 43 16.628 13.724 -1.783 272 HG3 PRO 43 HG3 PRO 43 17.678 15.143 -1.966 273 HD2 PRO 43 HD2 PRO 43 18.359 12.795 -2.997 274 HD3 PRO 43 HD3 PRO 43 19.575 13.858 -2.264 275 H ALA 44 H ALA 44 17.846 10.253 -0.076 276 HA ALA 44 HA ALA 44 15.231 10.283 1.288 277 HB1 ALA 44 HB1 ALA 44 14.739 8.219 0.032 278 HB2 ALA 44 HB2 ALA 44 16.305 8.349 -0.770 279 HB3 ALA 44 HB3 ALA 44 15.073 9.580 -1.038 280 HA PRO 45 HA PRO 45 17.469 8.146 4.437 281 HB2 PRO 45 HB2 PRO 45 15.435 7.600 6.121 282 HB3 PRO 45 HB3 PRO 45 16.055 9.239 5.894 283 HG2 PRO 45 HG2 PRO 45 13.624 7.954 4.714 284 HG3 PRO 45 HG3 PRO 45 13.820 9.591 5.368 285 HD2 PRO 45 HD2 PRO 45 13.872 9.008 2.692 286 HD3 PRO 45 HD3 PRO 45 14.711 10.395 3.412 287 H ASP 46 H ASP 46 14.697 6.663 2.897 288 HA ASP 46 HA ASP 46 15.385 4.049 3.962 289 HB2 ASP 46 HB2 ASP 46 13.038 4.512 3.816 290 HB3 ASP 46 HB3 ASP 46 13.179 4.983 2.129 291 H CYS 47 H CYS 47 16.149 5.946 1.290 292 HA CYS 47 HA CYS 47 16.694 3.698 -0.459 293 HB2 CYS 47 HB2 CYS 47 15.740 5.917 -1.225 294 HB3 CYS 47 HB3 CYS 47 17.341 6.586 -0.927 295 H HIS 48 H HIS 48 18.764 3.083 -1.111 296 HA HIS 48 HA HIS 48 21.007 4.393 0.219 297 HB2 HIS 48 HB2 HIS 48 20.556 1.405 0.362 298 HB3 HIS 48 HB3 HIS 48 21.968 2.256 0.960 299 HD1 HIS 48 HD1 HIS 48 21.839 3.217 3.289 300 HD2 HIS 48 HD2 HIS 48 18.163 1.881 1.885 301 HE1 HIS 48 HE1 HIS 48 20.274 3.347 5.248 302 HE2 HIS 48 HE2 HIS 48 18.032 2.631 4.349 303 H CYS 49 H CYS 49 20.972 5.047 -2.162 304 HA CYS 49 HA CYS 49 22.463 3.074 -3.741 305 HB2 CYS 49 HB2 CYS 49 21.910 4.562 -5.674 306 HB3 CYS 49 HB3 CYS 49 20.492 3.882 -4.884 307 H GLU 50 H GLU 50 24.565 3.479 -4.277 308 HA GLU 50 HA GLU 50 25.674 6.082 -4.286 309 HB2 GLU 50 HB2 GLU 50 27.261 5.731 -2.347 310 HB3 GLU 50 HB3 GLU 50 25.587 6.065 -1.935 311 HG2 GLU 50 HG2 GLU 50 25.297 3.557 -1.698 312 HG3 GLU 50 HG3 GLU 50 27.056 3.454 -1.775 313 H ARG 51 H ARG 51 26.163 2.602 -4.452 314 HA ARG 51 HA ARG 51 28.674 3.140 -5.903 315 HB2 ARG 51 HB2 ARG 51 29.528 1.040 -5.179 316 HB3 ARG 51 HB3 ARG 51 28.889 1.862 -3.757 317 HG2 ARG 51 HG2 ARG 51 26.935 0.508 -3.743 318 HG3 ARG 51 HG3 ARG 51 27.331 -0.185 -5.315 319 HD2 ARG 51 HD2 ARG 51 27.809 -1.708 -3.463 320 HD3 ARG 51 HD3 ARG 51 29.258 -1.285 -4.375 321 HE ARG 51 HE ARG 51 29.862 0.221 -2.577 322 HH11 ARG 51 HH11 ARG 51 27.375 -2.150 -1.856 323 HH12 ARG 51 HH12 ARG 51 27.590 -2.050 -0.146 324 HH21 ARG 51 HH21 ARG 51 30.147 0.364 -0.305 325 HH22 ARG 51 HH22 ARG 51 29.170 -0.602 0.743 326 H SER 52 H SER 52 25.564 2.247 -6.279 327 HA SER 52 HA SER 52 24.323 1.143 -7.832 328 HB2 SER 52 HB2 SER 52 25.841 2.361 -9.461 329 HB3 SER 52 HB3 SER 52 26.876 0.935 -9.475 330 HG SER 52 HG SER 52 24.118 0.684 -10.019 331 H GLY 53 H GLY 53 23.737 -0.713 -6.875 332 HA2 GLY 53 HA2 GLY 53 25.745 -2.760 -6.334 333 HA3 GLY 53 HA3 GLY 53 24.104 -2.720 -5.713 334 H LYS 54 H LYS 54 22.406 -2.940 -7.504 335 HA LYS 54 HA LYS 54 22.996 -5.428 -8.817 336 HB2 LYS 54 HB2 LYS 54 20.490 -3.743 -8.767 337 HB3 LYS 54 HB3 LYS 54 20.609 -5.326 -9.519 338 HG2 LYS 54 HG2 LYS 54 21.075 -6.349 -7.375 339 HG3 LYS 54 HG3 LYS 54 21.077 -4.767 -6.594 340 HD2 LYS 54 HD2 LYS 54 18.727 -4.465 -7.227 341 HD3 LYS 54 HD3 LYS 54 18.734 -6.054 -7.990 342 HE2 LYS 54 HE2 LYS 54 19.113 -7.129 -5.879 343 HE3 LYS 54 HE3 LYS 54 19.330 -5.573 -5.078 344 HZ1 LYS 54 HZ1 LYS 54 17.046 -5.041 -5.507 345 HZ2 LYS 54 HZ2 LYS 54 17.122 -6.530 -4.712 346 HZ3 LYS 54 HZ3 LYS 54 16.815 -6.476 -6.371 347 H VAL 55 H VAL 55 24.190 -5.331 -10.590 348 HA VAL 55 HA VAL 55 24.057 -3.094 -12.389 349 HB VAL 55 HB VAL 55 25.544 -5.706 -12.765 350 HG11 VAL 55 HG11 VAL 55 25.269 -4.445 -14.830 351 HG12 VAL 55 HG12 VAL 55 26.952 -4.417 -14.304 352 HG13 VAL 55 HG13 VAL 55 25.928 -3.004 -14.055 353 HG21 VAL 55 HG21 VAL 55 26.511 -3.115 -11.554 354 HG22 VAL 55 HG22 VAL 55 27.514 -4.522 -11.905 355 HG23 VAL 55 HG23 VAL 55 26.239 -4.629 -10.692 356 H GLY 56 H GLY 56 21.919 -3.166 -13.083 357 HA2 GLY 56 HA2 GLY 56 21.099 -5.481 -14.666 358 HA3 GLY 56 HA3 GLY 56 20.067 -4.145 -14.171 359 H GLY 57 H GLY 57 22.828 -4.915 -16.245 360 HA2 GLY 57 HA2 GLY 57 22.402 -4.409 -18.651 361 HA3 GLY 57 HA3 GLY 57 21.868 -2.830 -18.095 362 H ARG 58 H ARG 58 24.121 -3.818 -19.875 363 HA ARG 58 HA ARG 58 26.450 -2.862 -18.421 364 HB2 ARG 58 HB2 ARG 58 26.587 -4.870 -19.921 365 HB3 ARG 58 HB3 ARG 58 26.253 -3.825 -21.292 366 HG2 ARG 58 HG2 ARG 58 28.338 -2.721 -21.078 367 HG3 ARG 58 HG3 ARG 58 28.617 -3.405 -19.478 368 HD2 ARG 58 HD2 ARG 58 28.483 -5.006 -22.043 369 HD3 ARG 58 HD3 ARG 58 29.971 -4.503 -21.241 370 HE ARG 58 HE ARG 58 27.998 -6.189 -19.855 371 HH11 ARG 58 HH11 ARG 58 31.242 -5.680 -21.078 372 HH12 ARG 58 HH12 ARG 58 31.915 -7.017 -20.224 373 HH21 ARG 58 HH21 ARG 58 28.865 -7.952 -18.726 374 HH22 ARG 58 HH22 ARG 58 30.544 -8.338 -18.874 375 H ASP 59 H ASP 59 23.972 -1.592 -20.257 376 HA ASP 59 HA ASP 59 25.259 0.992 -20.338 377 HB2 ASP 59 HB2 ASP 59 24.705 1.437 -22.662 378 HB3 ASP 59 HB3 ASP 59 25.849 0.094 -22.563 379 H ILE 60 H ILE 60 23.727 2.719 -20.752 380 HA ILE 60 HA ILE 60 20.992 1.913 -20.063 381 HB ILE 60 HB ILE 60 22.269 4.622 -19.652 382 HG12 ILE 60 HG12 ILE 60 23.400 2.845 -18.329 383 HG13 ILE 60 HG13 ILE 60 22.585 4.035 -17.329 384 HG21 ILE 60 HG21 ILE 60 19.839 4.669 -19.791 385 HG22 ILE 60 HG22 ILE 60 20.371 5.005 -18.144 386 HG23 ILE 60 HG23 ILE 60 19.729 3.416 -18.556 387 HD11 ILE 60 HD11 ILE 60 21.575 1.275 -17.995 388 HD12 ILE 60 HD12 ILE 60 20.727 2.460 -17.003 389 HD13 ILE 60 HD13 ILE 60 22.265 1.792 -16.457 390 H THR 61 H THR 61 20.256 1.613 -22.165 391 HA THR 61 HA THR 61 20.435 3.710 -24.133 392 HB THR 61 HB THR 61 18.607 2.209 -25.261 393 HG1 THR 61 HG1 THR 61 18.190 0.986 -23.336 394 HG21 THR 61 HG21 THR 61 20.347 0.727 -26.132 395 HG22 THR 61 HG22 THR 61 21.412 1.189 -24.808 396 HG23 THR 61 HG23 THR 61 20.937 2.383 -26.015 397 H ASN 62 H ASN 62 19.335 5.561 -23.791 398 HA ASN 62 HA ASN 62 16.474 5.342 -23.135 399 HB2 ASN 62 HB2 ASN 62 18.473 7.342 -22.065 400 HB3 ASN 62 HB3 ASN 62 16.741 7.638 -22.028 401 HD21 ASN 62 HD21 ASN 62 16.134 4.801 -21.510 402 HD22 ASN 62 HD22 ASN 62 16.535 4.538 -19.851 403 H ASN 63 H ASN 63 15.173 7.169 -23.919 404 HA ASN 63 HA ASN 63 16.044 7.975 -26.582 405 HB2 ASN 63 HB2 ASN 63 13.399 8.337 -25.152 406 HB3 ASN 63 HB3 ASN 63 13.721 8.883 -26.796 407 HD21 ASN 63 HD21 ASN 63 13.914 7.368 -28.433 408 HD22 ASN 63 HD22 ASN 63 13.394 5.732 -28.249 409 H GLN 64 H GLN 64 16.195 10.071 -27.303 410 HA GLN 64 HA GLN 64 16.536 12.060 -25.167 411 HB2 GLN 64 HB2 GLN 64 18.014 13.265 -26.749 412 HB3 GLN 64 HB3 GLN 64 18.586 11.645 -26.392 413 HG2 GLN 64 HG2 GLN 64 17.693 10.860 -28.532 414 HG3 GLN 64 HG3 GLN 64 17.135 12.492 -28.888 415 HE21 GLN 64 HE21 GLN 64 19.019 10.809 -30.330 416 HE22 GLN 64 HE22 GLN 64 20.491 11.710 -30.425 417 H LEU 65 H LEU 65 14.520 11.098 -27.575 418 HA LEU 65 HA LEU 65 13.543 13.768 -28.288 419 HB2 LEU 65 HB2 LEU 65 13.109 11.014 -29.336 420 HB3 LEU 65 HB3 LEU 65 11.856 12.203 -29.597 421 HG LEU 65 HG LEU 65 13.352 11.944 -31.517 422 HD11 LEU 65 HD11 LEU 65 12.195 14.058 -31.158 423 HD12 LEU 65 HD12 LEU 65 13.771 14.317 -31.904 424 HD13 LEU 65 HD13 LEU 65 13.546 14.642 -30.186 425 HD21 LEU 65 HD21 LEU 65 15.637 12.795 -31.436 426 HD22 LEU 65 HD22 LEU 65 15.425 11.427 -30.344 427 HD23 LEU 65 HD23 LEU 65 15.471 13.070 -29.704 428 H ASP 66 H ASP 66 11.263 14.281 -28.124 429 HA ASP 66 HA ASP 66 9.731 12.690 -26.211 430 HB2 ASP 66 HB2 ASP 66 10.753 14.451 -24.850 431 HB3 ASP 66 HB3 ASP 66 10.135 15.681 -25.951 432 H GLU 67 H GLU 67 7.521 12.863 -26.410 433 HA GLU 67 HA GLU 67 6.345 14.672 -28.329 434 HB2 GLU 67 HB2 GLU 67 5.294 12.780 -29.580 435 HB3 GLU 67 HB3 GLU 67 7.035 12.906 -29.797 436 HG2 GLU 67 HG2 GLU 67 7.357 11.127 -28.145 437 HG3 GLU 67 HG3 GLU 67 5.608 10.978 -27.989 438 H ALA 68 H ALA 68 6.231 14.047 -25.427 439 HA ALA 68 HA ALA 68 3.434 13.136 -25.256 440 HB1 ALA 68 HB1 ALA 68 3.918 12.248 -23.049 441 HB2 ALA 68 HB2 ALA 68 5.584 12.813 -23.171 442 HB3 ALA 68 HB3 ALA 68 5.000 11.546 -24.251 443 H LEU 69 H LEU 69 5.052 15.888 -25.237 444 HA LEU 69 HA LEU 69 4.027 17.004 -22.788 445 HB2 LEU 69 HB2 LEU 69 5.364 18.366 -25.120 446 HB3 LEU 69 HB3 LEU 69 4.926 19.153 -23.618 447 HG LEU 69 HG LEU 69 6.936 16.918 -23.905 448 HD11 LEU 69 HD11 LEU 69 7.778 18.980 -24.828 449 HD12 LEU 69 HD12 LEU 69 8.572 18.646 -23.289 450 HD13 LEU 69 HD13 LEU 69 7.297 19.860 -23.378 451 HD21 LEU 69 HD21 LEU 69 7.455 17.397 -21.550 452 HD22 LEU 69 HD22 LEU 69 5.812 16.799 -21.764 453 HD23 LEU 69 HD23 LEU 69 6.097 18.519 -21.492 454 H GLU 70 H GLU 70 1.848 16.506 -23.089 455 HA GLU 70 HA GLU 70 0.294 17.988 -25.069 456 HB2 GLU 70 HB2 GLU 70 -0.425 15.733 -24.631 457 HB3 GLU 70 HB3 GLU 70 -0.397 15.996 -22.896 458 HG2 GLU 70 HG2 GLU 70 -2.253 17.670 -23.247 459 HG3 GLU 70 HG3 GLU 70 -2.363 17.066 -24.898 460 H GLU 71 H GLU 71 1.089 17.996 -21.721 461 HA GLU 71 HA GLU 71 -0.928 19.728 -20.797 462 HB2 GLU 71 HB2 GLU 71 0.201 17.953 -19.486 463 HB3 GLU 71 HB3 GLU 71 1.673 18.907 -19.531 464 HG2 GLU 71 HG2 GLU 71 0.685 20.615 -18.222 465 HG3 GLU 71 HG3 GLU 71 -0.903 19.851 -18.335 466 H THR 72 H THR 72 -0.863 21.588 -21.834 467 HA THR 72 HA THR 72 1.481 23.337 -21.403 468 HB THR 72 HB THR 72 0.728 24.490 -23.569 469 HG1 THR 72 HG1 THR 72 -0.338 21.955 -24.239 470 HG21 THR 72 HG21 THR 72 2.789 23.178 -23.403 471 HG22 THR 72 HG22 THR 72 2.007 22.915 -24.962 472 HG23 THR 72 HG23 THR 72 1.879 21.695 -23.693 473 H PHE 73 H PHE 73 1.051 25.610 -21.182 474 HA PHE 73 HA PHE 73 -1.624 26.242 -20.123 475 HB2 PHE 73 HB2 PHE 73 1.047 27.655 -19.836 476 HB3 PHE 73 HB3 PHE 73 -0.460 28.253 -19.162 477 HD1 PHE 73 HD1 PHE 73 2.190 25.755 -18.870 478 HD2 PHE 73 HD2 PHE 73 -1.466 27.194 -17.239 479 HE1 PHE 73 HE1 PHE 73 2.598 24.459 -16.819 480 HE2 PHE 73 HE2 PHE 73 -1.067 25.900 -15.187 481 HZ PHE 73 HZ PHE 73 0.968 24.532 -14.974 482 HA PRO 74 HA PRO 74 -2.264 28.988 -23.588 483 HB2 PRO 74 HB2 PRO 74 -3.927 30.851 -22.651 484 HB3 PRO 74 HB3 PRO 74 -4.432 29.159 -22.743 485 HG2 PRO 74 HG2 PRO 74 -3.496 30.727 -20.373 486 HG3 PRO 74 HG3 PRO 74 -4.830 29.568 -20.489 487 HD2 PRO 74 HD2 PRO 74 -2.324 28.975 -19.500 488 HD3 PRO 74 HD3 PRO 74 -3.448 27.775 -20.168 489 H ALA 75 H ALA 75 -2.251 31.430 -24.179 490 HA ALA 75 HA ALA 75 0.261 32.514 -23.570 491 HB1 ALA 75 HB1 ALA 75 -2.152 33.911 -24.726 492 HB2 ALA 75 HB2 ALA 75 -0.953 33.002 -25.647 493 HB3 ALA 75 HB3 ALA 75 -0.484 34.478 -24.805 494 H SER 76 H SER 76 0.891 34.154 -22.202 495 HA SER 76 HA SER 76 0.929 35.386 -20.313 496 HB2 SER 76 HB2 SER 76 -2.002 35.808 -20.968 497 HB3 SER 76 HB3 SER 76 -1.115 36.704 -19.735 498 HG SER 76 HG SER 76 0.023 37.722 -21.257 499 H ASP 77 H ASP 77 1.167 33.002 -19.618 500 HA ASP 77 HA ASP 77 -0.867 31.731 -18.164 501 HB2 ASP 77 HB2 ASP 77 0.999 30.395 -17.146 502 HB3 ASP 77 HB3 ASP 77 1.034 30.449 -18.904 503 HA PRO 78 HA PRO 78 -1.331 33.958 -14.435 504 HB2 PRO 78 HB2 PRO 78 -1.617 31.901 -12.630 505 HB3 PRO 78 HB3 PRO 78 -2.894 32.459 -13.716 506 HG2 PRO 78 HG2 PRO 78 -1.024 30.144 -14.026 507 HG3 PRO 78 HG3 PRO 78 -2.763 30.229 -14.361 508 HD2 PRO 78 HD2 PRO 78 -0.969 30.362 -16.332 509 HD3 PRO 78 HD3 PRO 78 -2.446 31.346 -16.372 510 H ILE 79 H ILE 79 -0.265 34.698 -12.653 511 HA ILE 79 HA ILE 79 2.521 33.937 -12.390 512 HB ILE 79 HB ILE 79 0.939 36.083 -10.941 513 HG12 ILE 79 HG12 ILE 79 0.998 36.492 -13.360 514 HG13 ILE 79 HG13 ILE 79 1.976 37.672 -12.498 515 HG21 ILE 79 HG21 ILE 79 3.100 37.043 -10.355 516 HG22 ILE 79 HG22 ILE 79 3.923 35.717 -11.173 517 HG23 ILE 79 HG23 ILE 79 2.955 35.397 -9.734 518 HD11 ILE 79 HD11 ILE 79 3.995 36.445 -13.121 519 HD12 ILE 79 HD12 ILE 79 3.066 36.938 -14.538 520 HD13 ILE 79 HD13 ILE 79 3.008 35.266 -13.983 521 H SER 80 H SER 80 3.372 32.832 -10.736 522 HA SER 80 HA SER 80 1.645 31.416 -8.973 523 HB2 SER 80 HB2 SER 80 4.662 31.612 -9.043 524 HB3 SER 80 HB3 SER 80 3.734 30.414 -8.135 525 HG SER 80 HG SER 80 3.638 29.282 -9.888 526 HA PRO 81 HA PRO 81 1.732 34.331 -5.590 527 HB2 PRO 81 HB2 PRO 81 1.360 32.094 -3.736 528 HB3 PRO 81 HB3 PRO 81 0.246 33.403 -4.134 529 HG2 PRO 81 HG2 PRO 81 -0.193 30.858 -4.911 530 HG3 PRO 81 HG3 PRO 81 -0.691 32.249 -5.892 531 HD2 PRO 81 HD2 PRO 81 1.698 30.467 -6.201 532 HD3 PRO 81 HD3 PRO 81 0.595 31.109 -7.440 Start of MODEL 17 1 HA ASN 1 HA ASN 1 7.038 -7.253 -5.331 2 HB2 ASN 1 HB2 ASN 1 6.420 -7.870 -7.585 3 HB3 ASN 1 HB3 ASN 1 5.861 -6.239 -7.931 4 HD21 ASN 1 HD21 ASN 1 8.660 -8.270 -7.454 5 HD22 ASN 1 HD22 ASN 1 9.806 -7.184 -8.154 6 H GLU 2 H GLU 2 8.083 -5.830 -4.116 7 HA GLU 2 HA GLU 2 7.472 -3.060 -4.068 8 HB2 GLU 2 HB2 GLU 2 9.825 -4.606 -2.971 9 HB3 GLU 2 HB3 GLU 2 9.638 -2.875 -2.759 10 HG2 GLU 2 HG2 GLU 2 8.867 -3.833 -0.770 11 HG3 GLU 2 HG3 GLU 2 7.415 -3.390 -1.658 12 H LEU 3 H LEU 3 8.454 -1.362 -5.059 13 HA LEU 3 HA LEU 3 9.893 -2.003 -7.451 14 HB2 LEU 3 HB2 LEU 3 8.625 0.433 -6.326 15 HB3 LEU 3 HB3 LEU 3 9.927 0.666 -7.475 16 HG LEU 3 HG LEU 3 7.677 0.738 -8.516 17 HD11 LEU 3 HD11 LEU 3 9.388 -1.575 -9.410 18 HD12 LEU 3 HD12 LEU 3 9.636 0.117 -9.833 19 HD13 LEU 3 HD13 LEU 3 8.191 -0.727 -10.387 20 HD21 LEU 3 HD21 LEU 3 6.598 -0.929 -7.057 21 HD22 LEU 3 HD22 LEU 3 7.566 -2.191 -7.816 22 HD23 LEU 3 HD23 LEU 3 6.384 -1.293 -8.769 23 H ARG 4 H ARG 4 11.895 -1.207 -8.020 24 HA ARG 4 HA ARG 4 13.616 -0.658 -5.706 25 HB2 ARG 4 HB2 ARG 4 14.169 -2.312 -8.155 26 HB3 ARG 4 HB3 ARG 4 15.432 -1.763 -7.061 27 HG2 ARG 4 HG2 ARG 4 14.439 -2.984 -5.235 28 HG3 ARG 4 HG3 ARG 4 13.082 -3.463 -6.256 29 HD2 ARG 4 HD2 ARG 4 14.824 -5.217 -5.973 30 HD3 ARG 4 HD3 ARG 4 14.510 -4.771 -7.650 31 HE ARG 4 HE ARG 4 16.558 -3.278 -7.361 32 HH11 ARG 4 HH11 ARG 4 16.168 -6.340 -5.684 33 HH12 ARG 4 HH12 ARG 4 17.868 -6.628 -5.561 34 HH21 ARG 4 HH21 ARG 4 18.795 -3.667 -7.210 35 HH22 ARG 4 HH22 ARG 4 19.374 -5.104 -6.440 36 H CYS 5 H CYS 5 15.504 0.596 -6.129 37 HA CYS 5 HA CYS 5 14.853 2.776 -7.883 38 HB2 CYS 5 HB2 CYS 5 15.614 3.241 -5.626 39 HB3 CYS 5 HB3 CYS 5 17.120 2.396 -5.935 40 H GLY 6 H GLY 6 16.144 3.553 -9.538 41 HA2 GLY 6 HA2 GLY 6 17.551 1.498 -10.987 42 HA3 GLY 6 HA3 GLY 6 17.212 3.126 -11.546 43 H CYS 7 H CYS 7 18.522 3.982 -8.811 44 HA CYS 7 HA CYS 7 21.138 4.273 -9.980 45 HB2 CYS 7 HB2 CYS 7 20.286 6.206 -8.840 46 HB3 CYS 7 HB3 CYS 7 19.970 5.284 -7.379 47 HA PRO 8 HA PRO 8 22.504 0.476 -8.059 48 HB2 PRO 8 HB2 PRO 8 25.055 0.615 -9.016 49 HB3 PRO 8 HB3 PRO 8 23.685 0.041 -9.969 50 HG2 PRO 8 HG2 PRO 8 24.991 2.731 -9.965 51 HG3 PRO 8 HG3 PRO 8 24.411 1.770 -11.338 52 HD2 PRO 8 HD2 PRO 8 23.017 3.845 -10.325 53 HD3 PRO 8 HD3 PRO 8 22.219 2.421 -11.024 54 H ASP 9 H ASP 9 23.883 3.641 -7.692 55 HA ASP 9 HA ASP 9 25.620 2.829 -5.506 56 HB2 ASP 9 HB2 ASP 9 25.122 5.430 -6.925 57 HB3 ASP 9 HB3 ASP 9 25.966 5.399 -5.383 58 H CYS 10 H CYS 10 22.429 3.571 -5.904 59 HA CYS 10 HA CYS 10 22.181 4.707 -3.227 60 HB2 CYS 10 HB2 CYS 10 21.130 6.093 -4.832 61 HB3 CYS 10 HB3 CYS 10 20.355 4.713 -5.606 62 H HIS 11 H HIS 11 21.091 3.604 -1.670 63 HA HIS 11 HA HIS 11 19.730 1.142 -2.495 64 HB2 HIS 11 HB2 HIS 11 21.405 1.586 -0.021 65 HB3 HIS 11 HB3 HIS 11 20.343 0.202 -0.242 66 HD2 HIS 11 HD2 HIS 11 23.341 1.724 -2.336 67 HE1 HIS 11 HE1 HIS 11 23.508 -2.510 -2.485 68 HE2 HIS 11 HE2 HIS 11 24.689 -0.360 -3.065 69 H CYS 12 H CYS 12 17.749 2.063 -2.605 70 HA CYS 12 HA CYS 12 16.563 2.832 -0.027 71 HB2 CYS 12 HB2 CYS 12 16.629 4.378 -2.535 72 HB3 CYS 12 HB3 CYS 12 15.050 4.274 -1.770 73 H LYS 13 H LYS 13 14.295 2.493 0.152 74 HA LYS 13 HA LYS 13 13.366 0.253 -1.432 75 HB2 LYS 13 HB2 LYS 13 11.619 0.024 0.293 76 HB3 LYS 13 HB3 LYS 13 13.225 0.004 1.002 77 HG2 LYS 13 HG2 LYS 13 12.963 2.271 1.782 78 HG3 LYS 13 HG3 LYS 13 11.419 2.419 0.943 79 HD2 LYS 13 HD2 LYS 13 10.541 0.582 2.359 80 HD3 LYS 13 HD3 LYS 13 12.063 0.588 3.250 81 HE2 LYS 13 HE2 LYS 13 11.673 2.908 3.906 82 HE3 LYS 13 HE3 LYS 13 10.162 2.916 2.996 83 HZ1 LYS 13 HZ1 LYS 13 9.383 1.109 4.454 84 HZ2 LYS 13 HZ2 LYS 13 9.686 2.540 5.292 85 HZ3 LYS 13 HZ3 LYS 13 10.789 1.267 5.381 86 H VAL 14 H VAL 14 12.192 0.684 -3.113 87 HA VAL 14 HA VAL 14 10.747 3.224 -3.250 88 HB VAL 14 HB VAL 14 11.160 1.285 -5.530 89 HG11 VAL 14 HG11 VAL 14 9.439 2.934 -5.890 90 HG12 VAL 14 HG12 VAL 14 10.851 3.287 -6.896 91 HG13 VAL 14 HG13 VAL 14 10.554 4.223 -5.433 92 HG21 VAL 14 HG21 VAL 14 13.359 1.851 -4.716 93 HG22 VAL 14 HG22 VAL 14 12.938 3.562 -4.681 94 HG23 VAL 14 HG23 VAL 14 13.058 2.716 -6.227 95 H ASP 15 H ASP 15 8.669 3.268 -2.922 96 HA ASP 15 HA ASP 15 7.158 0.817 -2.691 97 HB2 ASP 15 HB2 ASP 15 6.507 3.706 -2.158 98 HB3 ASP 15 HB3 ASP 15 5.327 2.410 -1.982 99 HA PRO 16 HA PRO 16 5.563 0.709 -6.830 100 HB2 PRO 16 HB2 PRO 16 3.071 -0.077 -5.383 101 HB3 PRO 16 HB3 PRO 16 3.832 -0.824 -6.790 102 HG2 PRO 16 HG2 PRO 16 4.081 -1.922 -4.375 103 HG3 PRO 16 HG3 PRO 16 5.439 -1.911 -5.512 104 HD2 PRO 16 HD2 PRO 16 5.015 -0.298 -3.055 105 HD3 PRO 16 HD3 PRO 16 6.528 -0.849 -3.800 106 H GLU 17 H GLU 17 3.614 2.274 -4.275 107 HA GLU 17 HA GLU 17 2.106 3.768 -6.253 108 HB2 GLU 17 HB2 GLU 17 2.029 3.706 -3.255 109 HB3 GLU 17 HB3 GLU 17 1.133 4.903 -4.174 110 HG2 GLU 17 HG2 GLU 17 -0.064 3.120 -5.329 111 HG3 GLU 17 HG3 GLU 17 0.832 1.924 -4.400 112 H ARG 18 H ARG 18 5.124 4.236 -4.904 113 HA ARG 18 HA ARG 18 4.963 7.102 -5.519 114 HB2 ARG 18 HB2 ARG 18 6.173 5.902 -3.029 115 HB3 ARG 18 HB3 ARG 18 6.564 7.520 -3.589 116 HG2 ARG 18 HG2 ARG 18 4.141 8.092 -3.429 117 HG3 ARG 18 HG3 ARG 18 3.868 6.504 -2.707 118 HD2 ARG 18 HD2 ARG 18 5.347 7.047 -0.870 119 HD3 ARG 18 HD3 ARG 18 5.753 8.587 -1.621 120 HE ARG 18 HE ARG 18 2.975 8.044 -0.875 121 HH11 ARG 18 HH11 ARG 18 5.935 9.873 -0.415 122 HH12 ARG 18 HH12 ARG 18 5.214 11.042 0.633 123 HH21 ARG 18 HH21 ARG 18 2.004 9.596 0.517 124 HH22 ARG 18 HH22 ARG 18 2.954 10.886 1.166 125 H VAL 19 H VAL 19 5.942 4.894 -7.060 126 HA VAL 19 HA VAL 19 8.829 5.134 -7.000 127 HB VAL 19 HB VAL 19 8.063 2.913 -7.506 128 HG11 VAL 19 HG11 VAL 19 6.479 4.125 -9.770 129 HG12 VAL 19 HG12 VAL 19 5.814 3.435 -8.288 130 HG13 VAL 19 HG13 VAL 19 6.651 2.401 -9.448 131 HG21 VAL 19 HG21 VAL 19 9.013 4.207 -10.053 132 HG22 VAL 19 HG22 VAL 19 9.068 2.484 -9.677 133 HG23 VAL 19 HG23 VAL 19 10.032 3.624 -8.737 134 H PHE 20 H PHE 20 9.826 6.769 -7.891 135 HA PHE 20 HA PHE 20 8.580 8.427 -9.850 136 HB2 PHE 20 HB2 PHE 20 11.262 8.385 -8.514 137 HB3 PHE 20 HB3 PHE 20 10.953 9.454 -9.880 138 HD1 PHE 20 HD1 PHE 20 10.068 8.692 -6.399 139 HD2 PHE 20 HD2 PHE 20 9.547 11.362 -9.666 140 HE1 PHE 20 HE1 PHE 20 9.042 10.340 -4.883 141 HE2 PHE 20 HE2 PHE 20 8.522 13.016 -8.161 142 HZ PHE 20 HZ PHE 20 8.268 12.505 -5.763 143 H ASN 21 H ASN 21 8.415 7.833 -11.880 144 HA ASN 21 HA ASN 21 10.335 5.940 -12.984 145 HB2 ASN 21 HB2 ASN 21 7.711 6.955 -14.074 146 HB3 ASN 21 HB3 ASN 21 8.766 5.841 -14.921 147 HD21 ASN 21 HD21 ASN 21 9.570 4.368 -12.604 148 HD22 ASN 21 HD22 ASN 21 8.218 3.410 -12.119 149 H HIS 22 H HIS 22 11.591 6.301 -14.688 150 HA HIS 22 HA HIS 22 11.485 8.893 -16.019 151 HB2 HIS 22 HB2 HIS 22 13.179 9.130 -14.272 152 HB3 HIS 22 HB3 HIS 22 13.987 7.676 -14.830 153 HD2 HIS 22 HD2 HIS 22 13.529 11.408 -15.952 154 HE1 HIS 22 HE1 HIS 22 16.682 9.670 -18.192 155 HE2 HIS 22 HE2 HIS 22 15.382 11.769 -17.726 156 H ASP 23 H ASP 23 11.111 8.349 -18.046 157 HA ASP 23 HA ASP 23 11.236 7.375 -20.097 158 HB2 ASP 23 HB2 ASP 23 13.672 8.011 -19.775 159 HB3 ASP 23 HB3 ASP 23 13.964 6.363 -19.239 160 H GLY 24 H GLY 24 10.306 5.891 -17.678 161 HA2 GLY 24 HA2 GLY 24 9.075 3.862 -17.734 162 HA3 GLY 24 HA3 GLY 24 10.193 3.246 -18.940 163 H GLU 25 H GLU 25 12.106 4.637 -16.679 164 HA GLU 25 HA GLU 25 12.636 2.040 -15.452 165 HB2 GLU 25 HB2 GLU 25 14.272 4.174 -16.381 166 HB3 GLU 25 HB3 GLU 25 14.525 4.021 -14.647 167 HG2 GLU 25 HG2 GLU 25 15.136 1.716 -14.882 168 HG3 GLU 25 HG3 GLU 25 14.732 1.738 -16.599 169 H ALA 26 H ALA 26 12.926 1.825 -13.186 170 HA ALA 26 HA ALA 26 11.195 3.637 -11.690 171 HB1 ALA 26 HB1 ALA 26 11.179 1.877 -9.987 172 HB2 ALA 26 HB2 ALA 26 12.312 0.939 -10.958 173 HB3 ALA 26 HB3 ALA 26 10.690 1.266 -11.570 174 H TYR 27 H TYR 27 11.843 4.846 -10.010 175 HA TYR 27 HA TYR 27 14.555 4.552 -8.966 176 HB2 TYR 27 HB2 TYR 27 13.439 7.100 -10.161 177 HB3 TYR 27 HB3 TYR 27 14.848 7.064 -9.109 178 HD1 TYR 27 HD1 TYR 27 13.593 6.538 -12.464 179 HD2 TYR 27 HD2 TYR 27 16.912 5.879 -9.884 180 HE1 TYR 27 HE1 TYR 27 15.026 6.113 -14.418 181 HE2 TYR 27 HE2 TYR 27 18.351 5.455 -11.827 182 HH TYR 27 HH TYR 27 17.722 4.555 -14.417 183 H CYS 28 H CYS 28 14.839 5.704 -6.896 184 HA CYS 28 HA CYS 28 12.488 5.402 -5.289 185 HB2 CYS 28 HB2 CYS 28 13.873 5.839 -3.410 186 HB3 CYS 28 HB3 CYS 28 14.894 4.957 -4.537 187 H SER 29 H SER 29 14.216 8.035 -6.712 188 HA SER 29 HA SER 29 12.156 9.899 -5.859 189 HB2 SER 29 HB2 SER 29 15.102 10.284 -5.344 190 HB3 SER 29 HB3 SER 29 13.850 11.452 -4.960 191 HG SER 29 HG SER 29 14.448 8.986 -3.757 192 H GLN 30 H GLN 30 12.132 11.812 -7.123 193 HA GLN 30 HA GLN 30 12.806 11.587 -9.818 194 HB2 GLN 30 HB2 GLN 30 11.117 13.170 -8.689 195 HB3 GLN 30 HB3 GLN 30 12.483 14.226 -8.374 196 HG2 GLN 30 HG2 GLN 30 12.851 14.576 -10.706 197 HG3 GLN 30 HG3 GLN 30 11.705 13.307 -11.133 198 HE21 GLN 30 HE21 GLN 30 11.089 15.607 -8.582 199 HE22 GLN 30 HE22 GLN 30 9.831 16.471 -9.390 200 H ALA 31 H ALA 31 14.630 12.723 -7.084 201 HA ALA 31 HA ALA 31 16.735 14.082 -8.312 202 HB1 ALA 31 HB1 ALA 31 16.364 14.021 -5.871 203 HB2 ALA 31 HB2 ALA 31 18.018 13.578 -6.292 204 HB3 ALA 31 HB3 ALA 31 16.854 12.329 -5.851 205 H CYS 32 H CYS 32 16.525 10.591 -7.473 206 HA CYS 32 HA CYS 32 18.935 9.934 -8.859 207 HB2 CYS 32 HB2 CYS 32 16.773 8.366 -7.512 208 HB3 CYS 32 HB3 CYS 32 17.852 7.537 -8.622 209 H ALA 33 H ALA 33 15.596 10.220 -9.701 210 HA ALA 33 HA ALA 33 15.517 8.601 -11.974 211 HB1 ALA 33 HB1 ALA 33 13.575 9.935 -12.641 212 HB2 ALA 33 HB2 ALA 33 13.998 11.161 -11.453 213 HB3 ALA 33 HB3 ALA 33 13.512 9.551 -10.922 214 H GLU 34 H GLU 34 16.485 11.985 -11.541 215 HA GLU 34 HA GLU 34 17.136 12.283 -14.326 216 HB2 GLU 34 HB2 GLU 34 17.714 14.091 -11.983 217 HB3 GLU 34 HB3 GLU 34 17.958 14.505 -13.675 218 HG2 GLU 34 HG2 GLU 34 15.420 13.892 -13.852 219 HG3 GLU 34 HG3 GLU 34 15.443 14.221 -12.125 220 H GLN 35 H GLN 35 18.554 10.533 -12.041 221 HA GLN 35 HA GLN 35 20.589 9.595 -11.724 222 HB2 GLN 35 HB2 GLN 35 21.244 10.723 -14.442 223 HB3 GLN 35 HB3 GLN 35 22.010 9.350 -13.653 224 HG2 GLN 35 HG2 GLN 35 19.973 8.072 -13.797 225 HG3 GLN 35 HG3 GLN 35 19.114 9.459 -14.457 226 HE21 GLN 35 HE21 GLN 35 19.481 6.821 -15.596 227 HE22 GLN 35 HE22 GLN 35 20.262 7.062 -17.117 228 H HIS 36 H HIS 36 20.209 12.169 -10.674 229 HA HIS 36 HA HIS 36 21.323 13.837 -9.609 230 HB2 HIS 36 HB2 HIS 36 23.829 12.257 -10.204 231 HB3 HIS 36 HB3 HIS 36 23.635 13.482 -8.952 232 HD1 HIS 36 HD1 HIS 36 22.050 12.783 -6.905 233 HD2 HIS 36 HD2 HIS 36 23.090 9.737 -9.527 234 HE1 HIS 36 HE1 HIS 36 21.524 10.651 -5.705 235 HA PRO 37 HA PRO 37 22.575 15.771 -13.582 236 HB2 PRO 37 HB2 PRO 37 20.741 17.744 -13.583 237 HB3 PRO 37 HB3 PRO 37 20.355 16.110 -14.134 238 HG2 PRO 37 HG2 PRO 37 19.726 17.430 -11.529 239 HG3 PRO 37 HG3 PRO 37 18.731 16.330 -12.498 240 HD2 PRO 37 HD2 PRO 37 20.192 15.580 -10.273 241 HD3 PRO 37 HD3 PRO 37 19.680 14.470 -11.558 242 H ASN 38 H ASN 38 21.749 17.236 -10.502 243 HA ASN 38 HA ASN 38 23.755 19.350 -10.946 244 HB2 ASN 38 HB2 ASN 38 21.569 19.259 -8.854 245 HB3 ASN 38 HB3 ASN 38 22.599 20.629 -9.242 246 HD21 ASN 38 HD21 ASN 38 22.430 20.340 -12.097 247 HD22 ASN 38 HD22 ASN 38 20.822 20.782 -12.555 248 H GLY 39 H GLY 39 23.787 16.418 -9.885 249 HA2 GLY 39 HA2 GLY 39 25.227 15.308 -8.453 250 HA3 GLY 39 HA3 GLY 39 25.727 16.851 -7.782 251 H GLU 40 H GLU 40 22.510 17.011 -7.755 252 HA GLU 40 HA GLU 40 22.085 16.923 -5.031 253 HB2 GLU 40 HB2 GLU 40 20.235 16.581 -7.377 254 HB3 GLU 40 HB3 GLU 40 19.629 16.484 -5.736 255 HG2 GLU 40 HG2 GLU 40 21.224 18.857 -6.110 256 HG3 GLU 40 HG3 GLU 40 19.922 18.762 -7.298 257 HA PRO 41 HA PRO 41 22.080 12.388 -4.475 258 HB2 PRO 41 HB2 PRO 41 21.896 12.514 -1.743 259 HB3 PRO 41 HB3 PRO 41 23.432 12.625 -2.610 260 HG2 PRO 41 HG2 PRO 41 21.729 14.816 -1.482 261 HG3 PRO 41 HG3 PRO 41 23.492 14.629 -1.431 262 HD2 PRO 41 HD2 PRO 41 22.279 16.283 -3.171 263 HD3 PRO 41 HD3 PRO 41 23.763 15.402 -3.593 264 H CYS 42 H CYS 42 20.398 10.941 -3.510 265 HA CYS 42 HA CYS 42 17.768 11.922 -3.981 266 HB2 CYS 42 HB2 CYS 42 17.001 9.750 -3.341 267 HB3 CYS 42 HB3 CYS 42 18.512 9.512 -4.212 268 HA PRO 43 HA PRO 43 16.643 13.702 -0.151 269 HB2 PRO 43 HB2 PRO 43 14.043 13.037 0.111 270 HB3 PRO 43 HB3 PRO 43 14.629 14.134 -1.156 271 HG2 PRO 43 HG2 PRO 43 14.033 11.207 -1.328 272 HG3 PRO 43 HG3 PRO 43 13.515 12.516 -2.407 273 HD2 PRO 43 HD2 PRO 43 15.601 10.954 -3.002 274 HD3 PRO 43 HD3 PRO 43 15.589 12.678 -3.416 275 H ALA 44 H ALA 44 17.829 10.978 0.162 276 HA ALA 44 HA ALA 44 16.514 10.161 2.675 277 HB1 ALA 44 HB1 ALA 44 18.493 8.663 0.946 278 HB2 ALA 44 HB2 ALA 44 16.764 8.337 1.068 279 HB3 ALA 44 HB3 ALA 44 17.811 8.071 2.460 280 HA PRO 45 HA PRO 45 19.819 12.355 4.544 281 HB2 PRO 45 HB2 PRO 45 19.432 11.655 7.125 282 HB3 PRO 45 HB3 PRO 45 18.352 12.759 6.266 283 HG2 PRO 45 HG2 PRO 45 18.011 9.848 6.859 284 HG3 PRO 45 HG3 PRO 45 16.814 11.153 6.928 285 HD2 PRO 45 HD2 PRO 45 17.025 9.398 4.841 286 HD3 PRO 45 HD3 PRO 45 16.385 11.044 4.679 287 H ASP 46 H ASP 46 19.530 8.915 5.057 288 HA ASP 46 HA ASP 46 22.260 8.779 6.082 289 HB2 ASP 46 HB2 ASP 46 20.633 7.363 7.191 290 HB3 ASP 46 HB3 ASP 46 20.157 6.640 5.661 291 H CYS 47 H CYS 47 20.699 8.703 3.126 292 HA CYS 47 HA CYS 47 22.668 6.976 1.872 293 HB2 CYS 47 HB2 CYS 47 20.126 7.085 1.363 294 HB3 CYS 47 HB3 CYS 47 20.558 8.506 0.413 295 H HIS 48 H HIS 48 24.243 7.700 0.453 296 HA HIS 48 HA HIS 48 24.440 10.599 0.020 297 HB2 HIS 48 HB2 HIS 48 26.626 8.846 1.157 298 HB3 HIS 48 HB3 HIS 48 26.910 10.458 0.514 299 HD1 HIS 48 HD1 HIS 48 26.409 12.410 2.031 300 HD2 HIS 48 HD2 HIS 48 25.070 8.793 3.564 301 HE1 HIS 48 HE1 HIS 48 25.650 12.901 4.384 302 HE2 HIS 48 HE2 HIS 48 25.104 10.653 5.346 303 H CYS 49 H CYS 49 23.557 8.980 -1.938 304 HA CYS 49 HA CYS 49 25.804 8.248 -3.627 305 HB2 CYS 49 HB2 CYS 49 24.022 7.463 -5.169 306 HB3 CYS 49 HB3 CYS 49 23.918 6.742 -3.568 307 H GLU 50 H GLU 50 26.331 9.300 -5.496 308 HA GLU 50 HA GLU 50 24.921 11.366 -6.777 309 HB2 GLU 50 HB2 GLU 50 26.331 13.316 -6.017 310 HB3 GLU 50 HB3 GLU 50 25.194 12.720 -4.814 311 HG2 GLU 50 HG2 GLU 50 26.904 12.687 -3.394 312 HG3 GLU 50 HG3 GLU 50 27.500 11.291 -4.288 313 H ARG 51 H ARG 51 28.011 10.159 -5.761 314 HA ARG 51 HA ARG 51 29.336 11.036 -8.168 315 HB2 ARG 51 HB2 ARG 51 31.355 10.022 -7.006 316 HB3 ARG 51 HB3 ARG 51 30.592 11.380 -6.192 317 HG2 ARG 51 HG2 ARG 51 29.300 9.477 -4.914 318 HG3 ARG 51 HG3 ARG 51 30.679 8.503 -5.419 319 HD2 ARG 51 HD2 ARG 51 31.230 9.329 -3.277 320 HD3 ARG 51 HD3 ARG 51 32.148 10.311 -4.410 321 HE ARG 51 HE ARG 51 30.181 11.928 -4.116 322 HH11 ARG 51 HH11 ARG 51 31.470 9.837 -1.592 323 HH12 ARG 51 HH12 ARG 51 30.997 10.890 -0.308 324 HH21 ARG 51 HH21 ARG 51 29.532 13.308 -2.405 325 HH22 ARG 51 HH22 ARG 51 29.882 12.864 -0.760 326 H SER 52 H SER 52 27.393 9.306 -8.836 327 HA SER 52 HA SER 52 28.543 6.670 -9.152 328 HB2 SER 52 HB2 SER 52 26.072 7.061 -8.713 329 HB3 SER 52 HB3 SER 52 25.957 7.699 -10.351 330 HG SER 52 HG SER 52 26.533 5.080 -9.476 331 H GLY 53 H GLY 53 26.824 8.422 -11.722 332 HA2 GLY 53 HA2 GLY 53 28.489 9.506 -13.385 333 HA3 GLY 53 HA3 GLY 53 29.097 7.862 -13.487 334 H LYS 54 H LYS 54 28.579 8.080 -15.771 335 HA LYS 54 HA LYS 54 25.753 8.101 -16.445 336 HB2 LYS 54 HB2 LYS 54 26.531 8.065 -18.824 337 HB3 LYS 54 HB3 LYS 54 27.149 9.430 -17.916 338 HG2 LYS 54 HG2 LYS 54 28.854 6.991 -18.150 339 HG3 LYS 54 HG3 LYS 54 28.681 8.036 -19.557 340 HD2 LYS 54 HD2 LYS 54 29.561 9.922 -18.322 341 HD3 LYS 54 HD3 LYS 54 29.581 8.989 -16.825 342 HE2 LYS 54 HE2 LYS 54 31.219 7.452 -17.827 343 HE3 LYS 54 HE3 LYS 54 31.212 8.416 -19.300 344 HZ1 LYS 54 HZ1 LYS 54 33.091 8.952 -17.878 345 HZ2 LYS 54 HZ2 LYS 54 32.048 9.370 -16.620 346 HZ3 LYS 54 HZ3 LYS 54 32.064 10.286 -18.039 347 H VAL 55 H VAL 55 24.794 6.215 -15.935 348 HA VAL 55 HA VAL 55 26.081 3.745 -16.908 349 HB VAL 55 HB VAL 55 24.481 4.023 -14.355 350 HG11 VAL 55 HG11 VAL 55 25.142 1.693 -13.939 351 HG12 VAL 55 HG12 VAL 55 25.890 1.630 -15.534 352 HG13 VAL 55 HG13 VAL 55 24.147 1.848 -15.387 353 HG21 VAL 55 HG21 VAL 55 26.603 3.532 -13.221 354 HG22 VAL 55 HG22 VAL 55 26.698 5.023 -14.158 355 HG23 VAL 55 HG23 VAL 55 27.434 3.545 -14.777 356 H GLY 56 H GLY 56 22.868 4.781 -15.688 357 HA2 GLY 56 HA2 GLY 56 21.570 2.701 -17.191 358 HA3 GLY 56 HA3 GLY 56 20.784 3.905 -16.189 359 H GLY 57 H GLY 57 19.524 3.235 -18.415 360 HA2 GLY 57 HA2 GLY 57 18.382 4.903 -19.786 361 HA3 GLY 57 HA3 GLY 57 19.962 5.557 -20.182 362 H ARG 58 H ARG 58 20.511 2.370 -20.209 363 HA ARG 58 HA ARG 58 21.015 0.896 -21.861 364 HB2 ARG 58 HB2 ARG 58 18.294 1.757 -22.866 365 HB3 ARG 58 HB3 ARG 58 19.212 0.439 -23.572 366 HG2 ARG 58 HG2 ARG 58 19.178 -0.648 -21.298 367 HG3 ARG 58 HG3 ARG 58 18.023 0.595 -20.815 368 HD2 ARG 58 HD2 ARG 58 16.580 -0.115 -22.747 369 HD3 ARG 58 HD3 ARG 58 17.686 -1.461 -23.007 370 HE ARG 58 HE ARG 58 16.960 -2.434 -21.005 371 HH11 ARG 58 HH11 ARG 58 15.262 0.571 -21.698 372 HH12 ARG 58 HH12 ARG 58 13.969 0.254 -20.605 373 HH21 ARG 58 HH21 ARG 58 15.237 -2.859 -19.549 374 HH22 ARG 58 HH22 ARG 58 13.945 -1.723 -19.377 375 H ASP 59 H ASP 59 22.817 2.005 -22.640 376 HA ASP 59 HA ASP 59 24.152 2.894 -24.255 377 HB2 ASP 59 HB2 ASP 59 22.908 1.392 -25.803 378 HB3 ASP 59 HB3 ASP 59 21.698 2.647 -26.026 379 H ILE 60 H ILE 60 24.156 4.885 -25.927 380 HA ILE 60 HA ILE 60 23.252 7.114 -24.353 381 HB ILE 60 HB ILE 60 24.699 7.110 -27.017 382 HG12 ILE 60 HG12 ILE 60 25.978 6.087 -25.161 383 HG13 ILE 60 HG13 ILE 60 26.707 7.585 -25.725 384 HG21 ILE 60 HG21 ILE 60 23.487 9.204 -26.659 385 HG22 ILE 60 HG22 ILE 60 25.227 9.459 -26.526 386 HG23 ILE 60 HG23 ILE 60 24.235 9.377 -25.071 387 HD11 ILE 60 HD11 ILE 60 26.797 7.488 -23.324 388 HD12 ILE 60 HD12 ILE 60 25.061 7.203 -23.232 389 HD13 ILE 60 HD13 ILE 60 25.670 8.754 -23.807 390 H THR 61 H THR 61 20.977 6.550 -24.574 391 HA THR 61 HA THR 61 19.642 7.066 -27.041 392 HB THR 61 HB THR 61 17.625 7.311 -25.396 393 HG1 THR 61 HG1 THR 61 18.775 5.794 -23.503 394 HG21 THR 61 HG21 THR 61 18.037 5.326 -26.778 395 HG22 THR 61 HG22 THR 61 17.475 4.864 -25.172 396 HG23 THR 61 HG23 THR 61 19.184 4.726 -25.581 397 H ASN 62 H ASN 62 19.853 8.813 -23.976 398 HA ASN 62 HA ASN 62 19.961 10.993 -23.414 399 HB2 ASN 62 HB2 ASN 62 21.928 10.966 -24.895 400 HB3 ASN 62 HB3 ASN 62 20.903 11.399 -26.256 401 HD21 ASN 62 HD21 ASN 62 20.582 12.703 -23.007 402 HD22 ASN 62 HD22 ASN 62 21.042 14.311 -23.414 403 H ASN 63 H ASN 63 17.693 11.097 -23.126 404 HA ASN 63 HA ASN 63 16.498 13.094 -24.902 405 HB2 ASN 63 HB2 ASN 63 15.289 10.466 -24.151 406 HB3 ASN 63 HB3 ASN 63 14.246 11.873 -24.340 407 HD21 ASN 63 HD21 ASN 63 14.398 13.033 -26.351 408 HD22 ASN 63 HD22 ASN 63 14.718 12.165 -27.812 409 H GLN 64 H GLN 64 15.364 14.621 -23.970 410 HA GLN 64 HA GLN 64 15.259 14.556 -21.031 411 HB2 GLN 64 HB2 GLN 64 15.499 17.030 -22.749 412 HB3 GLN 64 HB3 GLN 64 15.666 16.922 -21.005 413 HG2 GLN 64 HG2 GLN 64 17.868 17.082 -21.696 414 HG3 GLN 64 HG3 GLN 64 17.640 15.342 -21.528 415 HE21 GLN 64 HE21 GLN 64 16.369 17.222 -24.195 416 HE22 GLN 64 HE22 GLN 64 17.380 16.530 -25.411 417 H LEU 65 H LEU 65 13.641 15.232 -24.004 418 HA LEU 65 HA LEU 65 11.477 15.575 -24.580 419 HB2 LEU 65 HB2 LEU 65 10.819 14.776 -21.743 420 HB3 LEU 65 HB3 LEU 65 9.710 14.799 -23.097 421 HG LEU 65 HG LEU 65 12.087 12.958 -22.800 422 HD11 LEU 65 HD11 LEU 65 9.135 12.393 -22.621 423 HD12 LEU 65 HD12 LEU 65 10.268 12.418 -21.271 424 HD13 LEU 65 HD13 LEU 65 10.430 11.199 -22.535 425 HD21 LEU 65 HD21 LEU 65 11.193 11.834 -24.783 426 HD22 LEU 65 HD22 LEU 65 11.665 13.496 -25.133 427 HD23 LEU 65 HD23 LEU 65 9.961 13.085 -24.935 428 H ASP 66 H ASP 66 9.309 16.704 -23.576 429 HA ASP 66 HA ASP 66 8.325 18.711 -23.255 430 HB2 ASP 66 HB2 ASP 66 8.988 18.080 -20.885 431 HB3 ASP 66 HB3 ASP 66 10.357 19.171 -21.068 432 H GLU 67 H GLU 67 9.243 19.273 -25.347 433 HA GLU 67 HA GLU 67 11.411 21.227 -25.241 434 HB2 GLU 67 HB2 GLU 67 10.084 19.995 -27.663 435 HB3 GLU 67 HB3 GLU 67 11.549 20.967 -27.651 436 HG2 GLU 67 HG2 GLU 67 12.702 19.240 -26.375 437 HG3 GLU 67 HG3 GLU 67 11.231 18.271 -26.343 438 H ALA 68 H ALA 68 10.417 23.055 -24.478 439 HA ALA 68 HA ALA 68 8.027 24.047 -25.816 440 HB1 ALA 68 HB1 ALA 68 8.152 24.195 -23.368 441 HB2 ALA 68 HB2 ALA 68 8.027 25.792 -24.106 442 HB3 ALA 68 HB3 ALA 68 9.583 25.218 -23.506 443 H LEU 69 H LEU 69 8.494 24.873 -27.764 444 HA LEU 69 HA LEU 69 10.919 26.433 -28.132 445 HB2 LEU 69 HB2 LEU 69 8.818 25.642 -30.147 446 HB3 LEU 69 HB3 LEU 69 10.367 26.375 -30.508 447 HG LEU 69 HG LEU 69 9.945 23.621 -29.337 448 HD11 LEU 69 HD11 LEU 69 9.319 23.732 -31.672 449 HD12 LEU 69 HD12 LEU 69 10.827 22.839 -31.483 450 HD13 LEU 69 HD13 LEU 69 10.855 24.502 -32.069 451 HD21 LEU 69 HD21 LEU 69 12.361 23.342 -29.650 452 HD22 LEU 69 HD22 LEU 69 11.997 24.623 -28.495 453 HD23 LEU 69 HD23 LEU 69 12.491 25.031 -30.138 454 H GLU 70 H GLU 70 10.790 28.443 -27.450 455 HA GLU 70 HA GLU 70 10.278 30.609 -27.311 456 HB2 GLU 70 HB2 GLU 70 8.537 29.979 -29.674 457 HB3 GLU 70 HB3 GLU 70 8.574 31.587 -28.964 458 HG2 GLU 70 HG2 GLU 70 11.058 31.582 -29.309 459 HG3 GLU 70 HG3 GLU 70 10.863 30.085 -30.217 460 H GLU 71 H GLU 71 7.729 28.330 -26.929 461 HA GLU 71 HA GLU 71 5.941 30.215 -25.697 462 HB2 GLU 71 HB2 GLU 71 5.102 28.164 -26.867 463 HB3 GLU 71 HB3 GLU 71 5.804 27.193 -25.581 464 HG2 GLU 71 HG2 GLU 71 4.365 28.363 -23.948 465 HG3 GLU 71 HG3 GLU 71 3.621 29.248 -25.275 466 H THR 72 H THR 72 7.487 31.038 -24.263 467 HA THR 72 HA THR 72 7.962 29.357 -21.907 468 HB THR 72 HB THR 72 9.625 31.228 -21.329 469 HG1 THR 72 HG1 THR 72 9.653 31.700 -24.123 470 HG21 THR 72 HG21 THR 72 11.375 30.238 -22.753 471 HG22 THR 72 HG22 THR 72 10.127 29.475 -23.741 472 HG23 THR 72 HG23 THR 72 10.330 29.000 -22.055 473 H PHE 73 H PHE 73 6.717 29.737 -20.204 474 HA PHE 73 HA PHE 73 5.423 32.361 -20.007 475 HB2 PHE 73 HB2 PHE 73 4.554 29.665 -18.970 476 HB3 PHE 73 HB3 PHE 73 3.790 31.174 -18.486 477 HD1 PHE 73 HD1 PHE 73 3.669 28.503 -20.744 478 HD2 PHE 73 HD2 PHE 73 3.012 32.699 -20.484 479 HE1 PHE 73 HE1 PHE 73 2.205 28.396 -22.718 480 HE2 PHE 73 HE2 PHE 73 1.549 32.599 -22.456 481 HZ PHE 73 HZ PHE 73 1.143 30.444 -23.575 482 HA PRO 74 HA PRO 74 8.062 32.599 -16.382 483 HB2 PRO 74 HB2 PRO 74 8.451 35.243 -16.472 484 HB3 PRO 74 HB3 PRO 74 9.276 34.162 -17.603 485 HG2 PRO 74 HG2 PRO 74 6.929 35.942 -18.051 486 HG3 PRO 74 HG3 PRO 74 8.249 35.523 -19.155 487 HD2 PRO 74 HD2 PRO 74 5.686 34.377 -19.129 488 HD3 PRO 74 HD3 PRO 74 7.109 33.731 -19.966 489 H ALA 75 H ALA 75 7.880 34.285 -14.465 490 HA ALA 75 HA ALA 75 5.280 34.042 -13.390 491 HB1 ALA 75 HB1 ALA 75 6.137 35.354 -11.512 492 HB2 ALA 75 HB2 ALA 75 7.574 35.757 -12.450 493 HB3 ALA 75 HB3 ALA 75 7.270 34.086 -11.978 494 H SER 76 H SER 76 6.917 36.533 -15.149 495 HA SER 76 HA SER 76 4.399 37.963 -15.356 496 HB2 SER 76 HB2 SER 76 7.035 39.287 -14.690 497 HB3 SER 76 HB3 SER 76 5.543 40.141 -15.083 498 HG SER 76 HG SER 76 5.029 38.356 -13.176 499 H ASP 77 H ASP 77 3.932 38.112 -17.430 500 HA ASP 77 HA ASP 77 5.952 37.653 -19.420 501 HB2 ASP 77 HB2 ASP 77 4.121 37.725 -21.039 502 HB3 ASP 77 HB3 ASP 77 3.690 36.698 -19.680 503 HA PRO 78 HA PRO 78 6.935 41.847 -20.274 504 HB2 PRO 78 HB2 PRO 78 7.826 41.609 -22.821 505 HB3 PRO 78 HB3 PRO 78 8.747 41.027 -21.430 506 HG2 PRO 78 HG2 PRO 78 6.994 39.499 -23.311 507 HG3 PRO 78 HG3 PRO 78 8.588 39.064 -22.665 508 HD2 PRO 78 HD2 PRO 78 6.285 38.060 -21.657 509 HD3 PRO 78 HD3 PRO 78 7.719 38.355 -20.653 510 H ILE 79 H ILE 79 6.135 43.656 -21.277 511 HA ILE 79 HA ILE 79 3.694 43.256 -22.850 512 HB ILE 79 HB ILE 79 3.219 45.655 -22.280 513 HG12 ILE 79 HG12 ILE 79 5.521 45.277 -20.350 514 HG13 ILE 79 HG13 ILE 79 5.529 46.334 -21.755 515 HG21 ILE 79 HG21 ILE 79 3.503 43.725 -19.981 516 HG22 ILE 79 HG22 ILE 79 2.133 43.849 -21.086 517 HG23 ILE 79 HG23 ILE 79 2.495 45.172 -19.978 518 HD11 ILE 79 HD11 ILE 79 3.745 47.670 -20.747 519 HD12 ILE 79 HD12 ILE 79 5.175 47.595 -19.719 520 HD13 ILE 79 HD13 ILE 79 3.761 46.613 -19.336 521 H SER 80 H SER 80 3.295 44.479 -24.677 522 HA SER 80 HA SER 80 5.460 44.717 -26.435 523 HB2 SER 80 HB2 SER 80 2.665 45.829 -26.630 524 HB3 SER 80 HB3 SER 80 3.789 45.651 -27.982 525 HG SER 80 HG SER 80 3.770 43.307 -27.028 526 HA PRO 81 HA PRO 81 7.110 48.743 -25.606 527 HB2 PRO 81 HB2 PRO 81 7.311 49.059 -28.550 528 HB3 PRO 81 HB3 PRO 81 8.578 49.154 -27.323 529 HG2 PRO 81 HG2 PRO 81 8.407 47.040 -28.929 530 HG3 PRO 81 HG3 PRO 81 8.830 46.850 -27.218 531 HD2 PRO 81 HD2 PRO 81 6.221 46.349 -28.593 532 HD3 PRO 81 HD3 PRO 81 7.032 45.405 -27.325 Start of MODEL 18 1 HA ASN 1 HA ASN 1 4.899 -5.018 -9.719 2 HB2 ASN 1 HB2 ASN 1 3.152 -3.024 -11.164 3 HB3 ASN 1 HB3 ASN 1 4.775 -3.440 -11.701 4 HD21 ASN 1 HD21 ASN 1 3.999 -4.271 -13.637 5 HD22 ASN 1 HD22 ASN 1 3.175 -5.785 -13.714 6 H GLU 2 H GLU 2 6.555 -4.283 -8.658 7 HA GLU 2 HA GLU 2 6.606 -1.778 -7.322 8 HB2 GLU 2 HB2 GLU 2 8.748 -3.805 -7.905 9 HB3 GLU 2 HB3 GLU 2 9.023 -2.350 -6.961 10 HG2 GLU 2 HG2 GLU 2 7.445 -3.077 -5.309 11 HG3 GLU 2 HG3 GLU 2 7.030 -4.485 -6.287 12 H LEU 3 H LEU 3 8.179 -0.148 -7.622 13 HA LEU 3 HA LEU 3 8.751 0.370 -10.425 14 HB2 LEU 3 HB2 LEU 3 8.393 2.068 -8.007 15 HB3 LEU 3 HB3 LEU 3 9.497 2.641 -9.239 16 HG LEU 3 HG LEU 3 7.222 3.593 -9.456 17 HD11 LEU 3 HD11 LEU 3 6.979 3.206 -11.845 18 HD12 LEU 3 HD12 LEU 3 8.030 1.797 -11.737 19 HD13 LEU 3 HD13 LEU 3 8.675 3.404 -11.410 20 HD21 LEU 3 HD21 LEU 3 5.977 1.624 -8.655 21 HD22 LEU 3 HD22 LEU 3 6.413 0.775 -10.136 22 HD23 LEU 3 HD23 LEU 3 5.385 2.207 -10.211 23 H ARG 4 H ARG 4 10.842 1.041 -10.995 24 HA ARG 4 HA ARG 4 12.862 -0.203 -9.237 25 HB2 ARG 4 HB2 ARG 4 12.258 -1.069 -11.694 26 HB3 ARG 4 HB3 ARG 4 13.372 0.203 -12.161 27 HG2 ARG 4 HG2 ARG 4 14.683 -1.723 -12.066 28 HG3 ARG 4 HG3 ARG 4 15.028 -0.889 -10.552 29 HD2 ARG 4 HD2 ARG 4 13.387 -2.372 -9.407 30 HD3 ARG 4 HD3 ARG 4 13.149 -3.240 -10.924 31 HE ARG 4 HE ARG 4 15.591 -3.764 -10.792 32 HH11 ARG 4 HH11 ARG 4 13.764 -3.088 -7.862 33 HH12 ARG 4 HH12 ARG 4 14.809 -4.007 -6.846 34 HH21 ARG 4 HH21 ARG 4 16.996 -4.973 -9.420 35 HH22 ARG 4 HH22 ARG 4 16.655 -5.071 -7.728 36 H CYS 5 H CYS 5 14.879 0.882 -8.990 37 HA CYS 5 HA CYS 5 14.610 3.745 -9.161 38 HB2 CYS 5 HB2 CYS 5 15.589 2.699 -7.159 39 HB3 CYS 5 HB3 CYS 5 16.918 2.086 -8.130 40 H GLY 6 H GLY 6 15.665 5.135 -10.467 41 HA2 GLY 6 HA2 GLY 6 16.627 4.153 -12.943 42 HA3 GLY 6 HA3 GLY 6 16.642 5.825 -12.412 43 H CYS 7 H CYS 7 18.243 4.863 -9.959 44 HA CYS 7 HA CYS 7 20.804 5.191 -11.221 45 HB2 CYS 7 HB2 CYS 7 20.452 6.320 -9.099 46 HB3 CYS 7 HB3 CYS 7 20.069 4.797 -8.309 47 HA PRO 8 HA PRO 8 21.129 0.769 -11.693 48 HB2 PRO 8 HB2 PRO 8 23.441 0.824 -13.095 49 HB3 PRO 8 HB3 PRO 8 21.871 1.198 -13.820 50 HG2 PRO 8 HG2 PRO 8 24.009 3.055 -12.859 51 HG3 PRO 8 HG3 PRO 8 23.016 3.157 -14.324 52 HD2 PRO 8 HD2 PRO 8 22.513 4.606 -12.083 53 HD3 PRO 8 HD3 PRO 8 21.234 4.080 -13.198 54 H ASP 9 H ASP 9 23.342 2.940 -10.210 55 HA ASP 9 HA ASP 9 25.069 0.847 -9.160 56 HB2 ASP 9 HB2 ASP 9 25.017 3.839 -8.695 57 HB3 ASP 9 HB3 ASP 9 26.196 2.749 -7.980 58 H CYS 10 H CYS 10 22.146 2.244 -8.392 59 HA CYS 10 HA CYS 10 22.472 1.989 -5.513 60 HB2 CYS 10 HB2 CYS 10 21.412 4.007 -6.250 61 HB3 CYS 10 HB3 CYS 10 20.257 3.096 -7.219 62 H HIS 11 H HIS 11 21.370 0.560 -4.267 63 HA HIS 11 HA HIS 11 19.690 -1.406 -5.664 64 HB2 HIS 11 HB2 HIS 11 21.636 -1.920 -3.404 65 HB3 HIS 11 HB3 HIS 11 20.460 -3.096 -3.981 66 HD2 HIS 11 HD2 HIS 11 23.378 -1.049 -5.698 67 HE1 HIS 11 HE1 HIS 11 23.241 -4.965 -7.321 68 HE2 HIS 11 HE2 HIS 11 24.296 -2.687 -7.480 69 H CYS 12 H CYS 12 17.792 -0.407 -5.166 70 HA CYS 12 HA CYS 12 16.951 -0.624 -2.367 71 HB2 CYS 12 HB2 CYS 12 17.091 1.870 -3.949 72 HB3 CYS 12 HB3 CYS 12 15.614 1.625 -3.027 73 H LYS 13 H LYS 13 14.560 -0.316 -2.139 74 HA LYS 13 HA LYS 13 13.188 -1.555 -4.397 75 HB2 LYS 13 HB2 LYS 13 11.508 -2.325 -2.759 76 HB3 LYS 13 HB3 LYS 13 13.113 -2.899 -2.341 77 HG2 LYS 13 HG2 LYS 13 13.300 -1.308 -0.566 78 HG3 LYS 13 HG3 LYS 13 11.822 -0.489 -1.076 79 HD2 LYS 13 HD2 LYS 13 10.618 -2.676 -0.629 80 HD3 LYS 13 HD3 LYS 13 12.100 -3.230 0.150 81 HE2 LYS 13 HE2 LYS 13 10.495 -2.327 1.774 82 HE3 LYS 13 HE3 LYS 13 11.984 -1.384 1.730 83 HZ1 LYS 13 HZ1 LYS 13 9.501 -0.631 0.270 84 HZ2 LYS 13 HZ2 LYS 13 10.894 0.308 0.459 85 HZ3 LYS 13 HZ3 LYS 13 9.919 -0.041 1.789 86 H VAL 14 H VAL 14 12.226 -0.049 -5.590 87 HA VAL 14 HA VAL 14 11.248 2.375 -4.322 88 HB VAL 14 HB VAL 14 11.106 1.649 -7.248 89 HG11 VAL 14 HG11 VAL 14 9.640 3.463 -6.555 90 HG12 VAL 14 HG12 VAL 14 10.953 4.046 -7.580 91 HG13 VAL 14 HG13 VAL 14 11.016 4.303 -5.838 92 HG21 VAL 14 HG21 VAL 14 13.417 1.552 -6.567 93 HG22 VAL 14 HG22 VAL 14 13.267 3.105 -5.748 94 HG23 VAL 14 HG23 VAL 14 13.141 3.024 -7.506 95 H ASP 15 H ASP 15 9.328 2.431 -3.502 96 HA ASP 15 HA ASP 15 7.315 0.497 -4.211 97 HB2 ASP 15 HB2 ASP 15 7.428 2.727 -2.189 98 HB3 ASP 15 HB3 ASP 15 5.996 1.726 -2.423 99 HA PRO 16 HA PRO 16 5.305 2.890 -7.325 100 HB2 PRO 16 HB2 PRO 16 2.752 1.806 -6.277 101 HB3 PRO 16 HB3 PRO 16 3.446 1.678 -7.897 102 HG2 PRO 16 HG2 PRO 16 3.414 -0.421 -6.253 103 HG3 PRO 16 HG3 PRO 16 4.794 -0.116 -7.322 104 HD2 PRO 16 HD2 PRO 16 4.520 0.393 -4.388 105 HD3 PRO 16 HD3 PRO 16 5.908 -0.222 -5.307 106 H GLU 17 H GLU 17 4.022 2.964 -4.056 107 HA GLU 17 HA GLU 17 2.586 5.412 -4.634 108 HB2 GLU 17 HB2 GLU 17 2.715 3.678 -2.179 109 HB3 GLU 17 HB3 GLU 17 1.818 5.190 -2.245 110 HG2 GLU 17 HG2 GLU 17 0.379 4.344 -3.960 111 HG3 GLU 17 HG3 GLU 17 1.358 2.891 -4.133 112 H ARG 18 H ARG 18 5.729 4.752 -3.855 113 HA ARG 18 HA ARG 18 6.050 7.473 -2.838 114 HB2 ARG 18 HB2 ARG 18 7.254 5.024 -1.542 115 HB3 ARG 18 HB3 ARG 18 7.927 6.630 -1.309 116 HG2 ARG 18 HG2 ARG 18 5.622 7.318 -0.492 117 HG3 ARG 18 HG3 ARG 18 5.238 5.598 -0.456 118 HD2 ARG 18 HD2 ARG 18 7.128 5.224 1.081 119 HD3 ARG 18 HD3 ARG 18 7.479 6.951 1.055 120 HE ARG 18 HE ARG 18 4.878 5.947 1.987 121 HH11 ARG 18 HH11 ARG 18 7.833 7.747 2.571 122 HH12 ARG 18 HH12 ARG 18 7.294 8.401 4.076 123 HH21 ARG 18 HH21 ARG 18 4.159 6.805 3.987 124 HH22 ARG 18 HH22 ARG 18 5.189 7.864 4.883 125 H VAL 19 H VAL 19 6.466 6.155 -5.418 126 HA VAL 19 HA VAL 19 9.322 6.093 -5.811 127 HB VAL 19 HB VAL 19 8.120 4.611 -7.288 128 HG11 VAL 19 HG11 VAL 19 6.524 7.021 -8.162 129 HG12 VAL 19 HG12 VAL 19 5.925 5.691 -7.168 130 HG13 VAL 19 HG13 VAL 19 6.397 5.401 -8.843 131 HG21 VAL 19 HG21 VAL 19 8.755 5.401 -9.495 132 HG22 VAL 19 HG22 VAL 19 10.016 5.753 -8.311 133 HG23 VAL 19 HG23 VAL 19 8.947 7.038 -8.869 134 H PHE 20 H PHE 20 10.567 7.793 -6.014 135 HA PHE 20 HA PHE 20 9.473 10.391 -6.549 136 HB2 PHE 20 HB2 PHE 20 12.201 9.310 -5.943 137 HB3 PHE 20 HB3 PHE 20 11.993 10.969 -6.498 138 HD1 PHE 20 HD1 PHE 20 10.971 8.584 -3.843 139 HD2 PHE 20 HD2 PHE 20 11.374 12.651 -5.018 140 HE1 PHE 20 HE1 PHE 20 10.478 9.295 -1.540 141 HE2 PHE 20 HE2 PHE 20 10.887 13.371 -2.728 142 HZ PHE 20 HZ PHE 20 10.434 11.692 -0.977 143 H ASN 21 H ASN 21 8.981 10.941 -8.556 144 HA ASN 21 HA ASN 21 10.348 9.696 -10.806 145 HB2 ASN 21 HB2 ASN 21 7.969 11.543 -10.656 146 HB3 ASN 21 HB3 ASN 21 8.710 11.076 -12.169 147 HD21 ASN 21 HD21 ASN 21 8.492 8.851 -9.506 148 HD22 ASN 21 HD22 ASN 21 7.299 7.820 -10.222 149 H HIS 22 H HIS 22 11.486 10.785 -12.354 150 HA HIS 22 HA HIS 22 11.809 13.643 -12.201 151 HB2 HIS 22 HB2 HIS 22 13.457 12.787 -10.547 152 HB3 HIS 22 HB3 HIS 22 14.227 11.872 -11.832 153 HD2 HIS 22 HD2 HIS 22 13.875 15.591 -10.675 154 HE1 HIS 22 HE1 HIS 22 16.841 15.385 -13.696 155 HE2 HIS 22 HE2 HIS 22 15.675 16.864 -12.030 156 H ASP 23 H ASP 23 11.837 14.349 -14.193 157 HA ASP 23 HA ASP 23 12.078 14.515 -16.442 158 HB2 ASP 23 HB2 ASP 23 14.500 14.231 -15.689 159 HB3 ASP 23 HB3 ASP 23 14.361 12.547 -16.175 160 H GLY 24 H GLY 24 10.493 12.284 -15.206 161 HA2 GLY 24 HA2 GLY 24 8.947 10.885 -16.275 162 HA3 GLY 24 HA3 GLY 24 9.983 10.859 -17.691 163 H GLU 25 H GLU 25 11.606 10.275 -14.740 164 HA GLU 25 HA GLU 25 11.558 7.382 -15.293 165 HB2 GLU 25 HB2 GLU 25 13.767 9.177 -15.236 166 HB3 GLU 25 HB3 GLU 25 13.918 8.083 -13.865 167 HG2 GLU 25 HG2 GLU 25 13.591 7.272 -16.751 168 HG3 GLU 25 HG3 GLU 25 15.091 7.233 -15.825 169 H ALA 26 H ALA 26 12.233 6.059 -13.385 170 HA ALA 26 HA ALA 26 10.871 7.084 -10.990 171 HB1 ALA 26 HB1 ALA 26 9.840 5.120 -11.988 172 HB2 ALA 26 HB2 ALA 26 10.526 4.725 -10.409 173 HB3 ALA 26 HB3 ALA 26 11.369 4.247 -11.881 174 H TYR 27 H TYR 27 11.901 7.148 -9.067 175 HA TYR 27 HA TYR 27 14.543 5.905 -8.809 176 HB2 TYR 27 HB2 TYR 27 13.908 8.817 -8.313 177 HB3 TYR 27 HB3 TYR 27 15.371 8.030 -7.723 178 HD1 TYR 27 HD1 TYR 27 13.717 9.581 -10.546 179 HD2 TYR 27 HD2 TYR 27 17.021 7.157 -9.393 180 HE1 TYR 27 HE1 TYR 27 14.819 10.069 -12.688 181 HE2 TYR 27 HE2 TYR 27 18.131 7.642 -11.527 182 HH TYR 27 HH TYR 27 17.491 8.340 -13.817 183 H CYS 28 H CYS 28 15.250 5.723 -6.534 184 HA CYS 28 HA CYS 28 13.055 4.887 -4.914 185 HB2 CYS 28 HB2 CYS 28 14.688 4.197 -3.288 186 HB3 CYS 28 HB3 CYS 28 15.315 3.795 -4.880 187 H SER 29 H SER 29 15.083 7.704 -5.034 188 HA SER 29 HA SER 29 13.222 9.137 -3.402 189 HB2 SER 29 HB2 SER 29 14.891 7.958 -1.809 190 HB3 SER 29 HB3 SER 29 16.075 9.099 -2.429 191 HG SER 29 HG SER 29 13.840 9.542 -0.816 192 H GLN 30 H GLN 30 13.873 11.438 -3.242 193 HA GLN 30 HA GLN 30 14.401 12.505 -5.755 194 HB2 GLN 30 HB2 GLN 30 13.232 13.566 -3.735 195 HB3 GLN 30 HB3 GLN 30 14.838 14.032 -3.201 196 HG2 GLN 30 HG2 GLN 30 15.165 15.371 -5.169 197 HG3 GLN 30 HG3 GLN 30 13.647 14.791 -5.856 198 HE21 GLN 30 HE21 GLN 30 12.240 14.943 -3.295 199 HE22 GLN 30 HE22 GLN 30 11.945 16.621 -3.016 200 H ALA 31 H ALA 31 16.635 11.586 -3.255 201 HA ALA 31 HA ALA 31 18.904 13.054 -3.973 202 HB1 ALA 31 HB1 ALA 31 20.196 11.249 -2.898 203 HB2 ALA 31 HB2 ALA 31 18.749 10.240 -2.881 204 HB3 ALA 31 HB3 ALA 31 18.802 11.721 -1.928 205 H CYS 32 H CYS 32 17.976 9.759 -5.051 206 HA CYS 32 HA CYS 32 20.010 9.663 -7.048 207 HB2 CYS 32 HB2 CYS 32 17.683 7.925 -6.325 208 HB3 CYS 32 HB3 CYS 32 18.502 7.686 -7.860 209 H ALA 33 H ALA 33 16.799 10.887 -6.896 210 HA ALA 33 HA ALA 33 16.021 10.713 -9.559 211 HB1 ALA 33 HB1 ALA 33 15.399 12.863 -7.535 212 HB2 ALA 33 HB2 ALA 33 14.485 11.377 -7.802 213 HB3 ALA 33 HB3 ALA 33 14.540 12.619 -9.051 214 H GLU 34 H GLU 34 17.888 13.229 -7.869 215 HA GLU 34 HA GLU 34 18.317 14.693 -10.312 216 HB2 GLU 34 HB2 GLU 34 19.563 15.059 -7.594 217 HB3 GLU 34 HB3 GLU 34 19.699 16.176 -8.945 218 HG2 GLU 34 HG2 GLU 34 17.107 16.174 -8.832 219 HG3 GLU 34 HG3 GLU 34 17.370 15.568 -7.209 220 H GLN 35 H GLN 35 19.463 11.865 -9.399 221 HA GLN 35 HA GLN 35 21.231 10.559 -9.958 222 HB2 GLN 35 HB2 GLN 35 21.931 12.764 -11.889 223 HB3 GLN 35 HB3 GLN 35 22.371 11.064 -12.008 224 HG2 GLN 35 HG2 GLN 35 20.054 10.453 -12.324 225 HG3 GLN 35 HG3 GLN 35 19.562 12.131 -12.115 226 HE21 GLN 35 HE21 GLN 35 20.027 13.623 -13.735 227 HE22 GLN 35 HE22 GLN 35 20.415 13.117 -15.340 228 H HIS 36 H HIS 36 21.582 12.230 -7.756 229 HA HIS 36 HA HIS 36 23.156 12.983 -6.295 230 HB2 HIS 36 HB2 HIS 36 25.161 11.553 -8.041 231 HB3 HIS 36 HB3 HIS 36 25.354 11.973 -6.340 232 HD1 HIS 36 HD1 HIS 36 23.787 10.574 -4.644 233 HD2 HIS 36 HD2 HIS 36 23.983 9.187 -8.556 234 HE1 HIS 36 HE1 HIS 36 22.924 8.221 -4.575 235 HA PRO 37 HA PRO 37 24.350 16.399 -9.105 236 HB2 PRO 37 HB2 PRO 37 23.133 18.363 -7.730 237 HB3 PRO 37 HB3 PRO 37 22.246 17.316 -8.844 238 HG2 PRO 37 HG2 PRO 37 22.397 17.224 -5.864 239 HG3 PRO 37 HG3 PRO 37 21.006 16.946 -6.926 240 HD2 PRO 37 HD2 PRO 37 22.511 14.948 -5.767 241 HD3 PRO 37 HD3 PRO 37 21.547 14.746 -7.242 242 H ASN 38 H ASN 38 24.555 16.057 -5.634 243 HA ASN 38 HA ASN 38 27.009 17.699 -5.633 244 HB2 ASN 38 HB2 ASN 38 24.774 17.526 -3.647 245 HB3 ASN 38 HB3 ASN 38 26.399 17.874 -3.076 246 HD21 ASN 38 HD21 ASN 38 25.327 18.977 -6.209 247 HD22 ASN 38 HD22 ASN 38 25.201 20.646 -5.784 248 H GLY 39 H GLY 39 26.389 14.732 -5.960 249 HA2 GLY 39 HA2 GLY 39 27.564 12.811 -5.450 250 HA3 GLY 39 HA3 GLY 39 28.554 13.757 -4.347 251 H GLU 40 H GLU 40 25.372 14.299 -3.648 252 HA GLU 40 HA GLU 40 25.475 12.954 -1.157 253 HB2 GLU 40 HB2 GLU 40 23.960 14.998 -2.321 254 HB3 GLU 40 HB3 GLU 40 22.801 13.715 -2.012 255 HG2 GLU 40 HG2 GLU 40 24.670 14.801 0.080 256 HG3 GLU 40 HG3 GLU 40 23.050 15.428 -0.201 257 HA PRO 41 HA PRO 41 24.051 8.997 -2.823 258 HB2 PRO 41 HB2 PRO 41 24.098 7.681 -0.435 259 HB3 PRO 41 HB3 PRO 41 25.549 7.974 -1.399 260 HG2 PRO 41 HG2 PRO 41 24.525 9.464 0.984 261 HG3 PRO 41 HG3 PRO 41 26.185 8.984 0.594 262 HD2 PRO 41 HD2 PRO 41 25.263 11.497 0.202 263 HD3 PRO 41 HD3 PRO 41 26.493 10.761 -0.847 264 H CYS 42 H CYS 42 22.230 7.442 -2.171 265 HA CYS 42 HA CYS 42 19.865 8.974 -1.680 266 HB2 CYS 42 HB2 CYS 42 18.650 6.953 -2.088 267 HB3 CYS 42 HB3 CYS 42 19.995 6.972 -3.220 268 HA PRO 43 HA PRO 43 19.427 8.631 2.681 269 HB2 PRO 43 HB2 PRO 43 16.769 8.263 3.006 270 HB3 PRO 43 HB3 PRO 43 17.457 9.782 2.409 271 HG2 PRO 43 HG2 PRO 43 16.282 7.505 0.863 272 HG3 PRO 43 HG3 PRO 43 15.950 9.242 0.714 273 HD2 PRO 43 HD2 PRO 43 17.622 8.004 -0.951 274 HD3 PRO 43 HD3 PRO 43 17.937 9.657 -0.393 275 H ALA 44 H ALA 44 20.109 6.049 1.410 276 HA ALA 44 HA ALA 44 18.815 4.203 3.315 277 HB1 ALA 44 HB1 ALA 44 19.487 2.398 1.784 278 HB2 ALA 44 HB2 ALA 44 20.172 3.596 0.686 279 HB3 ALA 44 HB3 ALA 44 18.436 3.568 0.987 280 HA PRO 45 HA PRO 45 22.811 4.310 5.230 281 HB2 PRO 45 HB2 PRO 45 22.423 2.423 7.115 282 HB3 PRO 45 HB3 PRO 45 21.677 4.022 7.214 283 HG2 PRO 45 HG2 PRO 45 20.492 1.433 6.296 284 HG3 PRO 45 HG3 PRO 45 19.782 2.679 7.336 285 HD2 PRO 45 HD2 PRO 45 19.205 2.442 4.690 286 HD3 PRO 45 HD3 PRO 45 19.173 3.994 5.552 287 H ASP 46 H ASP 46 21.401 1.257 4.181 288 HA ASP 46 HA ASP 46 23.886 -0.204 4.342 289 HB2 ASP 46 HB2 ASP 46 21.337 -0.964 2.892 290 HB3 ASP 46 HB3 ASP 46 22.653 -2.043 3.333 291 H CYS 47 H CYS 47 22.460 1.892 2.118 292 HA CYS 47 HA CYS 47 23.712 0.686 -0.201 293 HB2 CYS 47 HB2 CYS 47 21.371 1.782 -0.066 294 HB3 CYS 47 HB3 CYS 47 22.266 3.296 -0.180 295 H HIS 48 H HIS 48 25.143 1.951 -1.601 296 HA HIS 48 HA HIS 48 26.531 4.173 -0.300 297 HB2 HIS 48 HB2 HIS 48 27.896 1.585 -1.069 298 HB3 HIS 48 HB3 HIS 48 28.756 3.075 -0.710 299 HD1 HIS 48 HD1 HIS 48 28.961 3.753 1.764 300 HD2 HIS 48 HD2 HIS 48 26.755 0.283 1.162 301 HE1 HIS 48 HE1 HIS 48 28.658 2.729 4.048 302 HE2 HIS 48 HE2 HIS 48 27.155 0.769 3.676 303 H CYS 49 H CYS 49 24.927 4.302 -2.592 304 HA CYS 49 HA CYS 49 26.752 4.333 -4.872 305 HB2 CYS 49 HB2 CYS 49 24.728 4.927 -6.161 306 HB3 CYS 49 HB3 CYS 49 24.526 3.435 -5.250 307 H GLU 50 H GLU 50 27.651 6.147 -5.667 308 HA GLU 50 HA GLU 50 26.534 8.721 -5.429 309 HB2 GLU 50 HB2 GLU 50 28.305 9.706 -3.923 310 HB3 GLU 50 HB3 GLU 50 27.077 8.724 -3.137 311 HG2 GLU 50 HG2 GLU 50 28.648 6.836 -3.103 312 HG3 GLU 50 HG3 GLU 50 29.878 7.876 -3.821 313 H ARG 51 H ARG 51 29.531 6.872 -5.813 314 HA ARG 51 HA ARG 51 30.770 8.954 -7.352 315 HB2 ARG 51 HB2 ARG 51 32.571 7.261 -7.772 316 HB3 ARG 51 HB3 ARG 51 32.252 7.611 -6.083 317 HG2 ARG 51 HG2 ARG 51 31.026 5.532 -5.856 318 HG3 ARG 51 HG3 ARG 51 31.243 5.199 -7.577 319 HD2 ARG 51 HD2 ARG 51 32.841 3.989 -6.087 320 HD3 ARG 51 HD3 ARG 51 33.616 4.996 -7.310 321 HE ARG 51 HE ARG 51 33.423 6.591 -5.089 322 HH11 ARG 51 HH11 ARG 51 34.891 3.469 -5.762 323 HH12 ARG 51 HH12 ARG 51 36.169 3.695 -4.620 324 HH21 ARG 51 HH21 ARG 51 35.113 6.870 -3.587 325 HH22 ARG 51 HH22 ARG 51 36.293 5.622 -3.383 326 H SER 52 H SER 52 28.330 8.260 -8.442 327 HA SER 52 HA SER 52 29.155 7.195 -11.057 328 HB2 SER 52 HB2 SER 52 27.459 5.780 -9.826 329 HB3 SER 52 HB3 SER 52 26.351 7.145 -9.892 330 HG SER 52 HG SER 52 26.433 5.345 -11.621 331 H GLY 53 H GLY 53 26.225 8.926 -10.052 332 HA2 GLY 53 HA2 GLY 53 25.542 11.095 -10.361 333 HA3 GLY 53 HA3 GLY 53 27.181 11.493 -10.834 334 H LYS 54 H LYS 54 27.768 10.657 -13.085 335 HA LYS 54 HA LYS 54 25.858 11.883 -14.843 336 HB2 LYS 54 HB2 LYS 54 28.457 10.553 -15.589 337 HB3 LYS 54 HB3 LYS 54 27.551 11.724 -16.537 338 HG2 LYS 54 HG2 LYS 54 27.966 13.408 -14.757 339 HG3 LYS 54 HG3 LYS 54 28.983 12.227 -13.935 340 HD2 LYS 54 HD2 LYS 54 30.401 13.685 -15.204 341 HD3 LYS 54 HD3 LYS 54 30.388 12.108 -15.994 342 HE2 LYS 54 HE2 LYS 54 30.207 13.910 -17.629 343 HE3 LYS 54 HE3 LYS 54 28.746 12.929 -17.612 344 HZ1 LYS 54 HZ1 LYS 54 29.087 15.562 -16.282 345 HZ2 LYS 54 HZ2 LYS 54 27.681 14.627 -16.235 346 HZ3 LYS 54 HZ3 LYS 54 28.216 15.269 -17.697 347 H VAL 55 H VAL 55 24.101 10.561 -14.919 348 HA VAL 55 HA VAL 55 24.421 8.124 -16.533 349 HB VAL 55 HB VAL 55 22.271 8.299 -14.420 350 HG11 VAL 55 HG11 VAL 55 21.971 6.490 -15.930 351 HG12 VAL 55 HG12 VAL 55 22.578 5.795 -14.432 352 HG13 VAL 55 HG13 VAL 55 23.663 6.017 -15.802 353 HG21 VAL 55 HG21 VAL 55 23.687 7.098 -12.808 354 HG22 VAL 55 HG22 VAL 55 24.312 8.708 -13.167 355 HG23 VAL 55 HG23 VAL 55 25.065 7.288 -13.892 356 H GLY 56 H GLY 56 21.843 7.551 -17.096 357 HA2 GLY 56 HA2 GLY 56 19.817 8.263 -17.957 358 HA3 GLY 56 HA3 GLY 56 20.220 9.899 -17.463 359 H GLY 57 H GLY 57 19.096 10.124 -19.662 360 HA2 GLY 57 HA2 GLY 57 19.426 11.048 -21.751 361 HA3 GLY 57 HA3 GLY 57 21.149 10.752 -21.573 362 H ARG 58 H ARG 58 19.836 10.362 -23.969 363 HA ARG 58 HA ARG 58 19.613 8.905 -25.685 364 HB2 ARG 58 HB2 ARG 58 21.933 8.304 -24.754 365 HB3 ARG 58 HB3 ARG 58 21.152 6.901 -24.046 366 HG2 ARG 58 HG2 ARG 58 20.501 6.125 -26.267 367 HG3 ARG 58 HG3 ARG 58 21.256 7.550 -26.988 368 HD2 ARG 58 HD2 ARG 58 22.693 5.536 -27.091 369 HD3 ARG 58 HD3 ARG 58 23.426 6.860 -26.181 370 HE ARG 58 HE ARG 58 21.972 5.103 -24.485 371 HH11 ARG 58 HH11 ARG 58 25.009 5.356 -26.222 372 HH12 ARG 58 HH12 ARG 58 25.867 4.349 -25.106 373 HH21 ARG 58 HH21 ARG 58 23.103 3.785 -23.014 374 HH22 ARG 58 HH22 ARG 58 24.781 3.443 -23.282 375 H ASP 59 H ASP 59 17.590 8.992 -23.713 376 HA ASP 59 HA ASP 59 16.279 6.439 -24.257 377 HB2 ASP 59 HB2 ASP 59 17.309 6.450 -21.896 378 HB3 ASP 59 HB3 ASP 59 16.140 7.707 -21.510 379 H ILE 60 H ILE 60 13.836 6.793 -23.362 380 HA ILE 60 HA ILE 60 12.954 9.149 -24.778 381 HB ILE 60 HB ILE 60 11.274 7.035 -23.406 382 HG12 ILE 60 HG12 ILE 60 12.671 6.071 -25.175 383 HG13 ILE 60 HG13 ILE 60 10.976 6.073 -25.640 384 HG21 ILE 60 HG21 ILE 60 9.456 7.874 -24.825 385 HG22 ILE 60 HG22 ILE 60 10.526 9.124 -25.457 386 HG23 ILE 60 HG23 ILE 60 10.070 9.133 -23.753 387 HD11 ILE 60 HD11 ILE 60 13.077 8.023 -26.570 388 HD12 ILE 60 HD12 ILE 60 11.374 8.057 -27.030 389 HD13 ILE 60 HD13 ILE 60 12.391 6.698 -27.509 390 H THR 61 H THR 61 13.845 10.667 -23.309 391 HA THR 61 HA THR 61 12.036 11.196 -21.071 392 HB THR 61 HB THR 61 14.055 12.255 -19.914 393 HG1 THR 61 HG1 THR 61 16.082 11.444 -20.563 394 HG21 THR 61 HG21 THR 61 14.062 9.257 -20.315 395 HG22 THR 61 HG22 THR 61 13.071 10.142 -19.154 396 HG23 THR 61 HG23 THR 61 14.826 10.117 -18.977 397 H ASN 62 H ASN 62 10.893 12.899 -21.754 398 HA ASN 62 HA ASN 62 12.385 15.183 -22.815 399 HB2 ASN 62 HB2 ASN 62 11.341 14.037 -24.727 400 HB3 ASN 62 HB3 ASN 62 9.769 14.156 -23.943 401 HD21 ASN 62 HD21 ASN 62 12.286 15.885 -25.613 402 HD22 ASN 62 HD22 ASN 62 11.372 17.326 -25.900 403 H ASN 63 H ASN 63 11.688 17.142 -22.189 404 HA ASN 63 HA ASN 63 9.169 17.499 -20.852 405 HB2 ASN 63 HB2 ASN 63 10.657 16.655 -19.036 406 HB3 ASN 63 HB3 ASN 63 11.766 17.981 -19.361 407 HD21 ASN 63 HD21 ASN 63 8.282 18.337 -19.476 408 HD22 ASN 63 HD22 ASN 63 8.158 19.328 -18.066 409 H GLN 64 H GLN 64 8.460 19.283 -21.819 410 HA GLN 64 HA GLN 64 10.288 21.171 -22.989 411 HB2 GLN 64 HB2 GLN 64 8.342 22.305 -23.858 412 HB3 GLN 64 HB3 GLN 64 8.152 20.577 -24.094 413 HG2 GLN 64 HG2 GLN 64 6.886 22.095 -21.821 414 HG3 GLN 64 HG3 GLN 64 6.092 21.820 -23.368 415 HE21 GLN 64 HE21 GLN 64 7.139 19.148 -23.715 416 HE22 GLN 64 HE22 GLN 64 6.307 18.135 -22.585 417 H LEU 65 H LEU 65 8.948 20.778 -19.964 418 HA LEU 65 HA LEU 65 8.964 21.985 -18.052 419 HB2 LEU 65 HB2 LEU 65 10.824 23.668 -19.703 420 HB3 LEU 65 HB3 LEU 65 10.288 24.240 -18.141 421 HG LEU 65 HG LEU 65 12.442 23.263 -17.884 422 HD11 LEU 65 HD11 LEU 65 10.864 22.864 -16.081 423 HD12 LEU 65 HD12 LEU 65 12.052 21.569 -16.224 424 HD13 LEU 65 HD13 LEU 65 10.412 21.326 -16.819 425 HD21 LEU 65 HD21 LEU 65 12.943 20.942 -18.442 426 HD22 LEU 65 HD22 LEU 65 12.505 21.879 -19.871 427 HD23 LEU 65 HD23 LEU 65 11.338 20.770 -19.152 428 H ASP 66 H ASP 66 8.655 24.492 -17.342 429 HA ASP 66 HA ASP 66 6.485 25.625 -18.946 430 HB2 ASP 66 HB2 ASP 66 5.255 26.083 -16.784 431 HB3 ASP 66 HB3 ASP 66 5.322 24.388 -17.253 432 H GLU 67 H GLU 67 9.327 26.232 -18.456 433 HA GLU 67 HA GLU 67 9.545 28.508 -16.760 434 HB2 GLU 67 HB2 GLU 67 11.305 27.577 -19.037 435 HB3 GLU 67 HB3 GLU 67 11.731 28.827 -17.881 436 HG2 GLU 67 HG2 GLU 67 11.173 25.956 -17.176 437 HG3 GLU 67 HG3 GLU 67 12.777 26.646 -17.410 438 H ALA 68 H ALA 68 8.042 30.094 -17.311 439 HA ALA 68 HA ALA 68 8.669 31.582 -19.742 440 HB1 ALA 68 HB1 ALA 68 6.348 31.685 -20.476 441 HB2 ALA 68 HB2 ALA 68 5.864 30.638 -19.143 442 HB3 ALA 68 HB3 ALA 68 6.905 30.013 -20.422 443 H LEU 69 H LEU 69 8.689 31.821 -16.682 444 HA LEU 69 HA LEU 69 6.810 33.987 -16.277 445 HB2 LEU 69 HB2 LEU 69 7.740 33.914 -13.891 446 HB3 LEU 69 HB3 LEU 69 6.747 32.589 -14.449 447 HG LEU 69 HG LEU 69 8.898 31.316 -14.892 448 HD11 LEU 69 HD11 LEU 69 10.054 33.579 -13.284 449 HD12 LEU 69 HD12 LEU 69 10.462 33.120 -14.941 450 HD13 LEU 69 HD13 LEU 69 10.862 32.044 -13.604 451 HD21 LEU 69 HD21 LEU 69 9.174 30.686 -12.547 452 HD22 LEU 69 HD22 LEU 69 7.472 30.850 -12.979 453 HD23 LEU 69 HD23 LEU 69 8.274 32.121 -12.056 454 H GLU 70 H GLU 70 9.833 33.915 -17.532 455 HA GLU 70 HA GLU 70 10.353 36.626 -16.511 456 HB2 GLU 70 HB2 GLU 70 12.346 34.483 -17.210 457 HB3 GLU 70 HB3 GLU 70 12.798 36.180 -17.161 458 HG2 GLU 70 HG2 GLU 70 12.111 36.293 -14.820 459 HG3 GLU 70 HG3 GLU 70 11.667 34.591 -14.868 460 H GLU 71 H GLU 71 12.245 35.275 -19.085 461 HA GLU 71 HA GLU 71 10.888 37.094 -20.972 462 HB2 GLU 71 HB2 GLU 71 13.181 37.819 -20.236 463 HB3 GLU 71 HB3 GLU 71 13.825 36.345 -20.941 464 HG2 GLU 71 HG2 GLU 71 13.121 37.063 -23.148 465 HG3 GLU 71 HG3 GLU 71 12.381 38.509 -22.463 466 H THR 72 H THR 72 11.193 34.003 -20.199 467 HA THR 72 HA THR 72 11.779 32.859 -22.765 468 HB THR 72 HB THR 72 11.008 30.748 -21.492 469 HG1 THR 72 HG1 THR 72 10.436 31.040 -19.496 470 HG21 THR 72 HG21 THR 72 13.182 30.592 -20.355 471 HG22 THR 72 HG22 THR 72 13.422 32.324 -20.594 472 HG23 THR 72 HG23 THR 72 13.338 31.242 -21.984 473 H PHE 73 H PHE 73 10.355 32.129 -24.224 474 HA PHE 73 HA PHE 73 8.444 31.906 -25.400 475 HB2 PHE 73 HB2 PHE 73 7.345 31.129 -22.694 476 HB3 PHE 73 HB3 PHE 73 6.482 30.915 -24.212 477 HD1 PHE 73 HD1 PHE 73 8.961 29.577 -21.980 478 HD2 PHE 73 HD2 PHE 73 7.439 29.380 -25.948 479 HE1 PHE 73 HE1 PHE 73 10.052 27.394 -22.284 480 HE2 PHE 73 HE2 PHE 73 8.527 27.196 -26.260 481 HZ PHE 73 HZ PHE 73 9.836 26.199 -24.427 482 HA PRO 74 HA PRO 74 6.746 36.015 -24.476 483 HB2 PRO 74 HB2 PRO 74 6.996 36.649 -27.255 484 HB3 PRO 74 HB3 PRO 74 7.982 37.253 -25.922 485 HG2 PRO 74 HG2 PRO 74 8.879 35.577 -27.942 486 HG3 PRO 74 HG3 PRO 74 9.668 35.788 -26.371 487 HD2 PRO 74 HD2 PRO 74 7.864 33.614 -27.325 488 HD3 PRO 74 HD3 PRO 74 9.281 33.526 -26.255 489 H ALA 75 H ALA 75 5.060 37.271 -26.013 490 HA ALA 75 HA ALA 75 2.732 35.710 -26.067 491 HB1 ALA 75 HB1 ALA 75 2.708 38.147 -25.789 492 HB2 ALA 75 HB2 ALA 75 1.670 37.637 -27.120 493 HB3 ALA 75 HB3 ALA 75 3.251 38.340 -27.455 494 H SER 76 H SER 76 4.926 36.757 -28.626 495 HA SER 76 HA SER 76 3.469 35.137 -30.554 496 HB2 SER 76 HB2 SER 76 4.278 37.421 -31.206 497 HB3 SER 76 HB3 SER 76 5.932 36.850 -31.001 498 HG SER 76 HG SER 76 5.750 35.608 -32.761 499 H ASP 77 H ASP 77 3.891 33.073 -29.863 500 HA ASP 77 HA ASP 77 6.514 32.157 -29.252 501 HB2 ASP 77 HB2 ASP 77 5.504 29.907 -29.221 502 HB3 ASP 77 HB3 ASP 77 4.576 31.062 -28.274 503 HA PRO 78 HA PRO 78 8.054 31.497 -33.296 504 HB2 PRO 78 HB2 PRO 78 10.060 29.787 -32.759 505 HB3 PRO 78 HB3 PRO 78 10.097 31.475 -32.232 506 HG2 PRO 78 HG2 PRO 78 9.348 29.026 -30.677 507 HG3 PRO 78 HG3 PRO 78 10.393 30.376 -30.195 508 HD2 PRO 78 HD2 PRO 78 7.802 30.181 -29.425 509 HD3 PRO 78 HD3 PRO 78 8.611 31.740 -29.689 510 H ILE 79 H ILE 79 9.061 29.516 -34.555 511 HA ILE 79 HA ILE 79 6.964 27.893 -35.395 512 HB ILE 79 HB ILE 79 8.835 26.539 -36.549 513 HG12 ILE 79 HG12 ILE 79 10.952 27.912 -36.826 514 HG13 ILE 79 HG13 ILE 79 10.430 28.876 -35.456 515 HG21 ILE 79 HG21 ILE 79 8.435 29.466 -37.127 516 HG22 ILE 79 HG22 ILE 79 7.421 28.135 -37.683 517 HG23 ILE 79 HG23 ILE 79 9.081 28.279 -38.259 518 HD11 ILE 79 HD11 ILE 79 10.504 26.874 -34.044 519 HD12 ILE 79 HD12 ILE 79 12.064 27.234 -34.783 520 HD13 ILE 79 HD13 ILE 79 11.061 25.933 -35.429 521 H SER 80 H SER 80 6.837 25.634 -35.557 522 HA SER 80 HA SER 80 6.498 24.324 -33.170 523 HB2 SER 80 HB2 SER 80 6.965 23.189 -35.920 524 HB3 SER 80 HB3 SER 80 6.224 22.316 -34.575 525 HG SER 80 HG SER 80 4.450 23.568 -34.724 526 HA PRO 81 HA PRO 81 10.308 22.580 -31.768 527 HB2 PRO 81 HB2 PRO 81 9.185 19.845 -31.780 528 HB3 PRO 81 HB3 PRO 81 9.775 20.808 -30.424 529 HG2 PRO 81 HG2 PRO 81 7.165 20.352 -30.754 530 HG3 PRO 81 HG3 PRO 81 7.760 21.912 -30.157 531 HD2 PRO 81 HD2 PRO 81 6.832 21.163 -32.902 532 HD3 PRO 81 HD3 PRO 81 6.493 22.632 -31.962 Start of MODEL 19 1 HA ASN 1 HA ASN 1 10.784 -12.061 -2.953 2 HB2 ASN 1 HB2 ASN 1 10.763 -12.572 -0.571 3 HB3 ASN 1 HB3 ASN 1 11.663 -13.819 -1.424 4 HD21 ASN 1 HD21 ASN 1 11.803 -11.273 0.895 5 HD22 ASN 1 HD22 ASN 1 13.437 -11.531 1.396 6 H GLU 2 H GLU 2 13.708 -10.403 -2.453 7 HA GLU 2 HA GLU 2 12.342 -8.151 -1.172 8 HB2 GLU 2 HB2 GLU 2 14.666 -7.296 -0.774 9 HB3 GLU 2 HB3 GLU 2 14.297 -8.811 0.036 10 HG2 GLU 2 HG2 GLU 2 15.462 -10.011 -1.797 11 HG3 GLU 2 HG3 GLU 2 15.927 -8.448 -2.468 12 H LEU 3 H LEU 3 12.662 -6.008 -2.005 13 HA LEU 3 HA LEU 3 12.989 -6.046 -4.901 14 HB2 LEU 3 HB2 LEU 3 11.450 -4.350 -3.014 15 HB3 LEU 3 HB3 LEU 3 12.081 -3.569 -4.449 16 HG LEU 3 HG LEU 3 9.751 -4.311 -4.734 17 HD11 LEU 3 HD11 LEU 3 10.029 -5.427 -6.865 18 HD12 LEU 3 HD12 LEU 3 11.694 -5.836 -6.456 19 HD13 LEU 3 HD13 LEU 3 11.228 -4.150 -6.673 20 HD21 LEU 3 HD21 LEU 3 9.781 -6.260 -3.301 21 HD22 LEU 3 HD22 LEU 3 10.901 -7.070 -4.395 22 HD23 LEU 3 HD23 LEU 3 9.257 -6.704 -4.925 23 H ARG 4 H ARG 4 14.241 -4.530 -5.936 24 HA ARG 4 HA ARG 4 16.350 -3.364 -4.245 25 HB2 ARG 4 HB2 ARG 4 17.185 -5.353 -5.459 26 HB3 ARG 4 HB3 ARG 4 16.708 -4.614 -6.980 27 HG2 ARG 4 HG2 ARG 4 18.261 -2.714 -6.416 28 HG3 ARG 4 HG3 ARG 4 18.854 -3.707 -5.086 29 HD2 ARG 4 HD2 ARG 4 19.607 -5.395 -6.609 30 HD3 ARG 4 HD3 ARG 4 18.855 -4.569 -7.975 31 HE ARG 4 HE ARG 4 21.233 -3.667 -6.492 32 HH11 ARG 4 HH11 ARG 4 19.167 -3.479 -9.313 33 HH12 ARG 4 HH12 ARG 4 20.207 -2.396 -10.166 34 HH21 ARG 4 HH21 ARG 4 22.610 -2.223 -7.615 35 HH22 ARG 4 HH22 ARG 4 22.183 -1.690 -9.207 36 H CYS 5 H CYS 5 17.232 -1.404 -4.960 37 HA CYS 5 HA CYS 5 15.373 0.215 -6.404 38 HB2 CYS 5 HB2 CYS 5 16.520 1.159 -4.497 39 HB3 CYS 5 HB3 CYS 5 18.083 0.844 -5.234 40 H GLY 6 H GLY 6 15.820 1.383 -8.302 41 HA2 GLY 6 HA2 GLY 6 17.328 -0.189 -10.208 42 HA3 GLY 6 HA3 GLY 6 16.280 1.171 -10.572 43 H CYS 7 H CYS 7 18.000 2.579 -8.312 44 HA CYS 7 HA CYS 7 19.831 3.708 -10.247 45 HB2 CYS 7 HB2 CYS 7 18.695 5.306 -8.877 46 HB3 CYS 7 HB3 CYS 7 19.158 4.471 -7.403 47 HA PRO 8 HA PRO 8 23.100 0.961 -8.838 48 HB2 PRO 8 HB2 PRO 8 24.966 1.875 -10.580 49 HB3 PRO 8 HB3 PRO 8 23.697 0.732 -11.037 50 HG2 PRO 8 HG2 PRO 8 23.835 3.689 -11.468 51 HG3 PRO 8 HG3 PRO 8 23.288 2.421 -12.579 52 HD2 PRO 8 HD2 PRO 8 21.577 3.974 -11.176 53 HD3 PRO 8 HD3 PRO 8 21.206 2.291 -11.604 54 H ASP 9 H ASP 9 23.055 4.394 -8.933 55 HA ASP 9 HA ASP 9 25.598 4.692 -7.540 56 HB2 ASP 9 HB2 ASP 9 24.820 6.287 -9.351 57 HB3 ASP 9 HB3 ASP 9 23.573 6.837 -8.240 58 H CYS 10 H CYS 10 22.371 4.157 -6.837 59 HA CYS 10 HA CYS 10 22.359 5.521 -4.271 60 HB2 CYS 10 HB2 CYS 10 20.332 5.687 -5.535 61 HB3 CYS 10 HB3 CYS 10 20.279 3.944 -5.774 62 H HIS 11 H HIS 11 22.300 4.518 -2.312 63 HA HIS 11 HA HIS 11 22.654 1.600 -2.330 64 HB2 HIS 11 HB2 HIS 11 23.993 3.641 -0.539 65 HB3 HIS 11 HB3 HIS 11 24.001 1.912 -0.212 66 HD2 HIS 11 HD2 HIS 11 25.078 4.053 -3.385 67 HE1 HIS 11 HE1 HIS 11 27.945 1.016 -2.662 68 HE2 HIS 11 HE2 HIS 11 27.406 3.090 -3.973 69 H CYS 12 H CYS 12 20.490 1.232 -2.031 70 HA CYS 12 HA CYS 12 19.500 1.740 0.673 71 HB2 CYS 12 HB2 CYS 12 18.327 2.775 -1.832 72 HB3 CYS 12 HB3 CYS 12 17.186 1.973 -0.763 73 H LYS 13 H LYS 13 17.698 0.336 1.241 74 HA LYS 13 HA LYS 13 17.586 -2.056 -0.420 75 HB2 LYS 13 HB2 LYS 13 17.109 -3.340 1.717 76 HB3 LYS 13 HB3 LYS 13 18.748 -2.753 1.523 77 HG2 LYS 13 HG2 LYS 13 18.171 -0.849 3.029 78 HG3 LYS 13 HG3 LYS 13 16.601 -1.610 3.302 79 HD2 LYS 13 HD2 LYS 13 18.041 -2.245 5.119 80 HD3 LYS 13 HD3 LYS 13 17.821 -3.661 4.091 81 HE2 LYS 13 HE2 LYS 13 20.137 -3.494 4.727 82 HE3 LYS 13 HE3 LYS 13 19.993 -3.160 3.005 83 HZ1 LYS 13 HZ1 LYS 13 20.249 -1.114 5.146 84 HZ2 LYS 13 HZ2 LYS 13 20.154 -0.788 3.485 85 HZ3 LYS 13 HZ3 LYS 13 21.487 -1.614 4.115 86 H VAL 14 H VAL 14 15.775 -2.068 -1.432 87 HA VAL 14 HA VAL 14 13.498 -0.553 -0.491 88 HB VAL 14 HB VAL 14 13.657 -2.214 -3.016 89 HG11 VAL 14 HG11 VAL 14 11.437 -1.465 -2.429 90 HG12 VAL 14 HG12 VAL 14 12.029 -0.606 -3.856 91 HG13 VAL 14 HG13 VAL 14 12.018 0.195 -2.286 92 HG21 VAL 14 HG21 VAL 14 14.385 -0.180 -4.188 93 HG22 VAL 14 HG22 VAL 14 15.570 -0.695 -2.985 94 HG23 VAL 14 HG23 VAL 14 14.495 0.660 -2.641 95 H ASP 15 H ASP 15 11.377 -1.377 -0.170 96 HA ASP 15 HA ASP 15 11.272 -4.243 0.499 97 HB2 ASP 15 HB2 ASP 15 10.828 -2.406 2.294 98 HB3 ASP 15 HB3 ASP 15 9.338 -2.160 1.403 99 HA PRO 16 HA PRO 16 8.287 -4.817 -2.776 100 HB2 PRO 16 HB2 PRO 16 6.922 -6.627 -0.875 101 HB3 PRO 16 HB3 PRO 16 7.554 -6.973 -2.491 102 HG2 PRO 16 HG2 PRO 16 8.785 -7.865 -0.297 103 HG3 PRO 16 HG3 PRO 16 9.709 -7.322 -1.707 104 HD2 PRO 16 HD2 PRO 16 9.177 -5.922 0.870 105 HD3 PRO 16 HD3 PRO 16 10.652 -5.938 -0.106 106 H GLU 17 H GLU 17 7.401 -3.971 0.506 107 HA GLU 17 HA GLU 17 4.748 -3.149 -0.452 108 HB2 GLU 17 HB2 GLU 17 5.713 -3.520 2.397 109 HB3 GLU 17 HB3 GLU 17 4.078 -3.082 1.920 110 HG2 GLU 17 HG2 GLU 17 3.917 -5.249 0.701 111 HG3 GLU 17 HG3 GLU 17 5.494 -5.686 1.351 112 H ARG 18 H ARG 18 7.621 -1.849 -0.424 113 HA ARG 18 HA ARG 18 6.628 0.866 0.005 114 HB2 ARG 18 HB2 ARG 18 9.090 -0.248 1.389 115 HB3 ARG 18 HB3 ARG 18 8.779 1.466 1.219 116 HG2 ARG 18 HG2 ARG 18 6.923 -0.435 2.643 117 HG3 ARG 18 HG3 ARG 18 8.181 0.509 3.445 118 HD2 ARG 18 HD2 ARG 18 7.150 2.565 2.706 119 HD3 ARG 18 HD3 ARG 18 5.940 1.663 1.799 120 HE ARG 18 HE ARG 18 6.159 1.517 4.737 121 HH11 ARG 18 HH11 ARG 18 4.215 1.841 1.819 122 HH12 ARG 18 HH12 ARG 18 2.718 1.924 2.679 123 HH21 ARG 18 HH21 ARG 18 4.142 1.644 5.866 124 HH22 ARG 18 HH22 ARG 18 2.676 1.811 4.965 125 H VAL 19 H VAL 19 7.222 -0.637 -2.353 126 HA VAL 19 HA VAL 19 9.721 0.572 -3.323 127 HB VAL 19 HB VAL 19 9.788 -1.818 -3.628 128 HG11 VAL 19 HG11 VAL 19 7.410 -2.307 -3.464 129 HG12 VAL 19 HG12 VAL 19 8.092 -3.032 -4.920 130 HG13 VAL 19 HG13 VAL 19 7.133 -1.556 -5.036 131 HG21 VAL 19 HG21 VAL 19 9.980 -2.015 -6.053 132 HG22 VAL 19 HG22 VAL 19 10.701 -0.517 -5.462 133 HG23 VAL 19 HG23 VAL 19 9.123 -0.487 -6.245 134 H PHE 20 H PHE 20 9.715 2.114 -4.802 135 HA PHE 20 HA PHE 20 7.203 2.915 -6.023 136 HB2 PHE 20 HB2 PHE 20 9.886 4.167 -5.635 137 HB3 PHE 20 HB3 PHE 20 8.832 4.769 -6.913 138 HD1 PHE 20 HD1 PHE 20 9.106 4.246 -3.262 139 HD2 PHE 20 HD2 PHE 20 6.995 6.145 -6.429 140 HE1 PHE 20 HE1 PHE 20 7.913 5.642 -1.624 141 HE2 PHE 20 HE2 PHE 20 5.794 7.543 -4.797 142 HZ PHE 20 HZ PHE 20 6.253 7.292 -2.391 143 H ASN 21 H ASN 21 6.727 1.799 -7.813 144 HA ASN 21 HA ASN 21 8.830 0.823 -9.562 145 HB2 ASN 21 HB2 ASN 21 5.825 0.547 -9.785 146 HB3 ASN 21 HB3 ASN 21 6.996 -0.237 -10.825 147 HD21 ASN 21 HD21 ASN 21 8.873 -0.909 -8.795 148 HD22 ASN 21 HD22 ASN 21 8.171 -2.170 -7.844 149 H HIS 22 H HIS 22 9.383 1.664 -11.468 150 HA HIS 22 HA HIS 22 7.632 3.611 -12.752 151 HB2 HIS 22 HB2 HIS 22 9.202 4.865 -11.263 152 HB3 HIS 22 HB3 HIS 22 10.538 4.211 -12.197 153 HD2 HIS 22 HD2 HIS 22 7.570 6.740 -12.715 154 HE1 HIS 22 HE1 HIS 22 10.486 7.391 -15.722 155 HE2 HIS 22 HE2 HIS 22 8.263 8.116 -14.796 156 H ASP 23 H ASP 23 7.438 3.024 -14.777 157 HA ASP 23 HA ASP 23 7.819 2.211 -16.855 158 HB2 ASP 23 HB2 ASP 23 9.758 3.949 -16.544 159 HB3 ASP 23 HB3 ASP 23 10.785 2.519 -16.494 160 H GLY 24 H GLY 24 7.963 0.428 -14.477 161 HA2 GLY 24 HA2 GLY 24 7.948 -1.917 -14.464 162 HA3 GLY 24 HA3 GLY 24 8.946 -1.912 -15.910 163 H GLU 25 H GLU 25 10.047 0.186 -13.496 164 HA GLU 25 HA GLU 25 11.991 -1.830 -12.606 165 HB2 GLU 25 HB2 GLU 25 12.393 0.847 -13.722 166 HB3 GLU 25 HB3 GLU 25 13.274 0.568 -12.224 167 HG2 GLU 25 HG2 GLU 25 14.370 -1.340 -13.165 168 HG3 GLU 25 HG3 GLU 25 13.389 -1.242 -14.627 169 H ALA 26 H ALA 26 12.624 -1.808 -10.504 170 HA ALA 26 HA ALA 26 10.754 -0.533 -8.669 171 HB1 ALA 26 HB1 ALA 26 11.793 -2.010 -6.998 172 HB2 ALA 26 HB2 ALA 26 12.893 -2.607 -8.239 173 HB3 ALA 26 HB3 ALA 26 11.160 -2.900 -8.383 174 H TYR 27 H TYR 27 11.300 1.039 -7.303 175 HA TYR 27 HA TYR 27 14.121 1.768 -7.015 176 HB2 TYR 27 HB2 TYR 27 11.860 3.644 -7.735 177 HB3 TYR 27 HB3 TYR 27 13.453 4.183 -7.210 178 HD1 TYR 27 HD1 TYR 27 11.435 2.976 -9.958 179 HD2 TYR 27 HD2 TYR 27 15.428 3.696 -8.675 180 HE1 TYR 27 HE1 TYR 27 12.197 2.889 -12.292 181 HE2 TYR 27 HE2 TYR 27 16.198 3.619 -11.005 182 HH TYR 27 HH TYR 27 15.318 2.507 -13.206 183 H CYS 28 H CYS 28 14.469 3.183 -5.102 184 HA CYS 28 HA CYS 28 12.945 2.180 -2.892 185 HB2 CYS 28 HB2 CYS 28 14.456 3.533 -1.509 186 HB3 CYS 28 HB3 CYS 28 15.360 2.597 -2.694 187 H SER 29 H SER 29 12.950 5.020 -4.836 188 HA SER 29 HA SER 29 10.531 5.940 -3.627 189 HB2 SER 29 HB2 SER 29 12.082 6.918 -2.056 190 HB3 SER 29 HB3 SER 29 13.086 7.542 -3.356 191 HG SER 29 HG SER 29 10.756 8.540 -2.285 192 H GLN 30 H GLN 30 9.646 7.770 -4.776 193 HA GLN 30 HA GLN 30 9.704 7.597 -7.540 194 HB2 GLN 30 HB2 GLN 30 8.054 8.798 -5.872 195 HB3 GLN 30 HB3 GLN 30 9.057 10.200 -6.196 196 HG2 GLN 30 HG2 GLN 30 7.285 10.403 -7.687 197 HG3 GLN 30 HG3 GLN 30 8.590 9.740 -8.669 198 HE21 GLN 30 HE21 GLN 30 8.437 7.620 -9.406 199 HE22 GLN 30 HE22 GLN 30 6.957 6.727 -9.354 200 H ALA 31 H ALA 31 11.721 9.399 -5.339 201 HA ALA 31 HA ALA 31 12.877 11.323 -6.967 202 HB1 ALA 31 HB1 ALA 31 14.232 9.751 -4.772 203 HB2 ALA 31 HB2 ALA 31 13.217 11.168 -4.525 204 HB3 ALA 31 HB3 ALA 31 14.744 11.319 -5.397 205 H CYS 32 H CYS 32 14.150 8.028 -6.330 206 HA CYS 32 HA CYS 32 16.097 8.236 -8.410 207 HB2 CYS 32 HB2 CYS 32 15.187 6.042 -6.591 208 HB3 CYS 32 HB3 CYS 32 16.183 5.661 -7.988 209 H ALA 33 H ALA 33 12.809 7.268 -8.205 210 HA ALA 33 HA ALA 33 12.631 5.522 -10.360 211 HB1 ALA 33 HB1 ALA 33 10.792 5.834 -8.809 212 HB2 ALA 33 HB2 ALA 33 10.251 6.182 -10.453 213 HB3 ALA 33 HB3 ALA 33 10.596 7.502 -9.344 214 H GLU 34 H GLU 34 12.456 9.069 -10.226 215 HA GLU 34 HA GLU 34 12.186 9.271 -13.089 216 HB2 GLU 34 HB2 GLU 34 12.590 11.406 -11.005 217 HB3 GLU 34 HB3 GLU 34 12.233 11.694 -12.703 218 HG2 GLU 34 HG2 GLU 34 10.184 10.151 -12.180 219 HG3 GLU 34 HG3 GLU 34 10.496 10.681 -10.534 220 H GLN 35 H GLN 35 14.693 8.421 -11.300 221 HA GLN 35 HA GLN 35 16.939 8.312 -11.614 222 HB2 GLN 35 HB2 GLN 35 16.403 9.402 -14.375 223 HB3 GLN 35 HB3 GLN 35 17.744 8.382 -13.866 224 HG2 GLN 35 HG2 GLN 35 16.245 6.525 -13.496 225 HG3 GLN 35 HG3 GLN 35 14.853 7.537 -13.870 226 HE21 GLN 35 HE21 GLN 35 17.505 5.741 -15.125 227 HE22 GLN 35 HE22 GLN 35 17.056 5.839 -16.788 228 H HIS 36 H HIS 36 15.900 10.653 -10.436 229 HA HIS 36 HA HIS 36 16.537 12.697 -9.682 230 HB2 HIS 36 HB2 HIS 36 19.194 12.133 -10.994 231 HB3 HIS 36 HB3 HIS 36 18.889 13.282 -9.691 232 HD1 HIS 36 HD1 HIS 36 18.267 12.166 -7.320 233 HD2 HIS 36 HD2 HIS 36 19.709 9.591 -10.239 234 HE1 HIS 36 HE1 HIS 36 18.949 10.087 -6.106 235 HA PRO 37 HA PRO 37 15.709 14.545 -13.821 236 HB2 PRO 37 HB2 PRO 37 13.578 16.019 -12.966 237 HB3 PRO 37 HB3 PRO 37 13.442 14.371 -13.571 238 HG2 PRO 37 HG2 PRO 37 13.427 15.375 -10.768 239 HG3 PRO 37 HG3 PRO 37 12.527 14.026 -11.481 240 HD2 PRO 37 HD2 PRO 37 14.763 13.727 -9.929 241 HD3 PRO 37 HD3 PRO 37 14.249 12.554 -11.154 242 H ASN 38 H ASN 38 15.546 16.129 -10.654 243 HA ASN 38 HA ASN 38 16.760 18.515 -11.883 244 HB2 ASN 38 HB2 ASN 38 15.172 18.515 -9.320 245 HB3 ASN 38 HB3 ASN 38 15.608 19.890 -10.329 246 HD21 ASN 38 HD21 ASN 38 14.723 19.780 -12.573 247 HD22 ASN 38 HD22 ASN 38 13.090 19.246 -12.751 248 H GLY 39 H GLY 39 17.854 16.013 -10.540 249 HA2 GLY 39 HA2 GLY 39 19.868 15.655 -9.433 250 HA3 GLY 39 HA3 GLY 39 19.938 17.372 -9.075 251 H GLU 40 H GLU 40 17.025 15.778 -8.277 252 HA GLU 40 HA GLU 40 17.390 16.200 -5.461 253 HB2 GLU 40 HB2 GLU 40 15.201 15.212 -7.236 254 HB3 GLU 40 HB3 GLU 40 15.140 14.751 -5.545 255 HG2 GLU 40 HG2 GLU 40 15.612 17.604 -5.980 256 HG3 GLU 40 HG3 GLU 40 14.073 17.018 -6.611 257 HA PRO 41 HA PRO 41 19.231 12.050 -4.959 258 HB2 PRO 41 HB2 PRO 41 19.323 12.935 -2.140 259 HB3 PRO 41 HB3 PRO 41 20.637 12.357 -3.171 260 HG2 PRO 41 HG2 PRO 41 20.449 14.931 -2.466 261 HG3 PRO 41 HG3 PRO 41 21.026 14.452 -4.072 262 HD2 PRO 41 HD2 PRO 41 18.342 15.481 -3.246 263 HD3 PRO 41 HD3 PRO 41 19.302 15.863 -4.692 264 H CYS 42 H CYS 42 18.563 10.187 -3.550 265 HA CYS 42 HA CYS 42 15.735 10.109 -3.300 266 HB2 CYS 42 HB2 CYS 42 16.020 7.836 -2.568 267 HB3 CYS 42 HB3 CYS 42 17.207 8.128 -3.833 268 HA PRO 43 HA PRO 43 15.035 11.553 0.801 269 HB2 PRO 43 HB2 PRO 43 13.127 9.865 1.726 270 HB3 PRO 43 HB3 PRO 43 12.826 11.044 0.437 271 HG2 PRO 43 HG2 PRO 43 13.491 8.133 0.213 272 HG3 PRO 43 HG3 PRO 43 12.183 9.041 -0.571 273 HD2 PRO 43 HD2 PRO 43 14.433 8.494 -1.868 274 HD3 PRO 43 HD3 PRO 43 13.621 10.057 -2.076 275 H ALA 44 H ALA 44 17.307 9.651 0.657 276 HA ALA 44 HA ALA 44 17.143 8.493 3.373 277 HB1 ALA 44 HB1 ALA 44 18.859 6.891 2.665 278 HB2 ALA 44 HB2 ALA 44 18.855 7.604 1.051 279 HB3 ALA 44 HB3 ALA 44 17.418 6.779 1.656 280 HA PRO 45 HA PRO 45 20.111 11.671 4.297 281 HB2 PRO 45 HB2 PRO 45 20.683 10.940 6.843 282 HB3 PRO 45 HB3 PRO 45 19.168 11.731 6.391 283 HG2 PRO 45 HG2 PRO 45 19.721 8.826 6.861 284 HG3 PRO 45 HG3 PRO 45 18.338 9.800 7.391 285 HD2 PRO 45 HD2 PRO 45 18.232 8.154 5.239 286 HD3 PRO 45 HD3 PRO 45 17.291 9.654 5.345 287 H ASP 46 H ASP 46 20.884 8.259 4.777 288 HA ASP 46 HA ASP 46 23.719 8.756 5.100 289 HB2 ASP 46 HB2 ASP 46 22.204 6.187 4.596 290 HB3 ASP 46 HB3 ASP 46 23.935 6.274 4.873 291 H CYS 47 H CYS 47 21.591 8.550 2.524 292 HA CYS 47 HA CYS 47 23.543 7.506 0.666 293 HB2 CYS 47 HB2 CYS 47 20.921 7.132 0.826 294 HB3 CYS 47 HB3 CYS 47 20.937 8.541 -0.234 295 H HIS 48 H HIS 48 24.034 8.663 -1.334 296 HA HIS 48 HA HIS 48 23.676 11.565 -1.239 297 HB2 HIS 48 HB2 HIS 48 26.403 10.249 -1.315 298 HB3 HIS 48 HB3 HIS 48 26.116 11.955 -1.613 299 HD1 HIS 48 HD1 HIS 48 25.708 13.452 0.440 300 HD2 HIS 48 HD2 HIS 48 26.193 9.434 1.370 301 HE1 HIS 48 HE1 HIS 48 25.974 13.359 2.938 302 HE2 HIS 48 HE2 HIS 48 26.098 10.916 3.483 303 H CYS 49 H CYS 49 22.716 9.424 -3.038 304 HA CYS 49 HA CYS 49 24.296 9.660 -5.439 305 HB2 CYS 49 HB2 CYS 49 22.506 8.290 -6.463 306 HB3 CYS 49 HB3 CYS 49 23.179 7.560 -5.010 307 H GLU 50 H GLU 50 23.899 10.908 -7.174 308 HA GLU 50 HA GLU 50 21.494 12.231 -7.795 309 HB2 GLU 50 HB2 GLU 50 22.063 14.553 -7.166 310 HB3 GLU 50 HB3 GLU 50 21.859 13.510 -5.766 311 HG2 GLU 50 HG2 GLU 50 24.303 13.300 -5.591 312 HG3 GLU 50 HG3 GLU 50 24.478 14.404 -6.953 313 H ARG 51 H ARG 51 24.996 12.424 -7.868 314 HA ARG 51 HA ARG 51 25.045 13.874 -10.363 315 HB2 ARG 51 HB2 ARG 51 27.529 13.666 -10.099 316 HB3 ARG 51 HB3 ARG 51 26.717 14.447 -8.751 317 HG2 ARG 51 HG2 ARG 51 26.771 11.753 -8.065 318 HG3 ARG 51 HG3 ARG 51 28.346 12.066 -8.795 319 HD2 ARG 51 HD2 ARG 51 27.115 13.726 -6.597 320 HD3 ARG 51 HD3 ARG 51 28.278 12.434 -6.330 321 HE ARG 51 HE ARG 51 29.366 14.250 -8.167 322 HH11 ARG 51 HH11 ARG 51 28.435 14.119 -4.790 323 HH12 ARG 51 HH12 ARG 51 29.643 15.250 -4.284 324 HH21 ARG 51 HH21 ARG 51 30.957 15.742 -7.496 325 HH22 ARG 51 HH22 ARG 51 31.082 16.172 -5.822 326 H SER 52 H SER 52 23.851 11.192 -10.333 327 HA SER 52 HA SER 52 25.716 9.719 -12.038 328 HB2 SER 52 HB2 SER 52 24.779 8.443 -10.166 329 HB3 SER 52 HB3 SER 52 23.146 8.805 -10.719 330 HG SER 52 HG SER 52 23.422 7.508 -12.450 331 H GLY 53 H GLY 53 25.453 10.986 -13.901 332 HA2 GLY 53 HA2 GLY 53 22.779 10.866 -15.142 333 HA3 GLY 53 HA3 GLY 53 24.035 12.022 -15.565 334 H LYS 54 H LYS 54 26.192 10.737 -16.117 335 HA LYS 54 HA LYS 54 25.504 9.115 -18.409 336 HB2 LYS 54 HB2 LYS 54 28.123 10.217 -17.389 337 HB3 LYS 54 HB3 LYS 54 28.020 9.153 -18.783 338 HG2 LYS 54 HG2 LYS 54 26.506 11.744 -18.608 339 HG3 LYS 54 HG3 LYS 54 28.142 11.630 -19.263 340 HD2 LYS 54 HD2 LYS 54 27.386 10.083 -20.969 341 HD3 LYS 54 HD3 LYS 54 25.763 10.066 -20.278 342 HE2 LYS 54 HE2 LYS 54 25.428 12.365 -20.847 343 HE3 LYS 54 HE3 LYS 54 27.114 12.543 -21.333 344 HZ1 LYS 54 HZ1 LYS 54 25.490 12.281 -23.196 345 HZ2 LYS 54 HZ2 LYS 54 25.231 10.678 -22.689 346 HZ3 LYS 54 HZ3 LYS 54 26.760 11.168 -23.203 347 H VAL 55 H VAL 55 24.618 7.396 -17.123 348 HA VAL 55 HA VAL 55 26.475 5.785 -15.592 349 HB VAL 55 HB VAL 55 24.176 6.071 -14.767 350 HG11 VAL 55 HG11 VAL 55 23.339 4.560 -17.236 351 HG12 VAL 55 HG12 VAL 55 22.992 6.250 -16.873 352 HG13 VAL 55 HG13 VAL 55 22.288 4.973 -15.881 353 HG21 VAL 55 HG21 VAL 55 23.666 3.706 -14.308 354 HG22 VAL 55 HG22 VAL 55 25.379 4.072 -14.107 355 HG23 VAL 55 HG23 VAL 55 24.821 3.230 -15.552 356 H GLY 56 H GLY 56 25.035 5.823 -18.745 357 HA2 GLY 56 HA2 GLY 56 26.229 4.666 -20.511 358 HA3 GLY 56 HA3 GLY 56 26.501 3.350 -19.376 359 H GLY 57 H GLY 57 25.596 2.114 -21.224 360 HA2 GLY 57 HA2 GLY 57 23.861 0.678 -21.782 361 HA3 GLY 57 HA3 GLY 57 22.804 1.576 -20.699 362 H ARG 58 H ARG 58 22.063 3.684 -21.449 363 HA ARG 58 HA ARG 58 22.231 4.279 -24.252 364 HB2 ARG 58 HB2 ARG 58 20.389 2.550 -24.076 365 HB3 ARG 58 HB3 ARG 58 19.507 3.682 -23.063 366 HG2 ARG 58 HG2 ARG 58 19.284 5.233 -24.856 367 HG3 ARG 58 HG3 ARG 58 20.391 4.306 -25.868 368 HD2 ARG 58 HD2 ARG 58 17.701 3.348 -24.884 369 HD3 ARG 58 HD3 ARG 58 18.026 3.970 -26.498 370 HE ARG 58 HE ARG 58 19.221 1.504 -25.401 371 HH11 ARG 58 HH11 ARG 58 17.925 3.343 -28.111 372 HH12 ARG 58 HH12 ARG 58 18.075 2.035 -29.229 373 HH21 ARG 58 HH21 ARG 58 19.415 -0.219 -26.898 374 HH22 ARG 58 HH22 ARG 58 18.919 0.007 -28.538 375 H ASP 59 H ASP 59 22.042 6.469 -24.540 376 HA ASP 59 HA ASP 59 22.131 8.029 -22.166 377 HB2 ASP 59 HB2 ASP 59 22.184 8.827 -25.070 378 HB3 ASP 59 HB3 ASP 59 22.341 9.970 -23.745 379 H ILE 60 H ILE 60 20.737 9.378 -21.314 380 HA ILE 60 HA ILE 60 18.016 9.366 -22.383 381 HB ILE 60 HB ILE 60 18.967 10.233 -19.637 382 HG12 ILE 60 HG12 ILE 60 17.632 7.638 -20.440 383 HG13 ILE 60 HG13 ILE 60 19.349 7.812 -20.094 384 HG21 ILE 60 HG21 ILE 60 16.598 10.096 -19.024 385 HG22 ILE 60 HG22 ILE 60 16.192 9.667 -20.685 386 HG23 ILE 60 HG23 ILE 60 16.855 11.260 -20.323 387 HD11 ILE 60 HD11 ILE 60 17.097 8.289 -18.158 388 HD12 ILE 60 HD12 ILE 60 18.816 8.466 -17.806 389 HD13 ILE 60 HD13 ILE 60 18.156 6.880 -18.204 390 H THR 61 H THR 61 18.512 10.906 -23.997 391 HA THR 61 HA THR 61 18.640 13.640 -22.936 392 HB THR 61 HB THR 61 20.865 13.228 -23.737 393 HG1 THR 61 HG1 THR 61 19.910 15.269 -24.336 394 HG21 THR 61 HG21 THR 61 20.461 11.301 -25.156 395 HG22 THR 61 HG22 THR 61 21.310 12.544 -26.078 396 HG23 THR 61 HG23 THR 61 19.579 12.301 -26.308 397 H ASN 62 H ASN 62 17.339 15.106 -23.889 398 HA ASN 62 HA ASN 62 16.109 14.648 -26.452 399 HB2 ASN 62 HB2 ASN 62 14.656 13.340 -24.901 400 HB3 ASN 62 HB3 ASN 62 14.367 14.813 -23.981 401 HD21 ASN 62 HD21 ASN 62 14.561 14.431 -27.485 402 HD22 ASN 62 HD22 ASN 62 12.937 14.931 -27.798 403 H ASN 63 H ASN 63 16.490 16.578 -27.317 404 HA ASN 63 HA ASN 63 16.545 18.800 -27.706 405 HB2 ASN 63 HB2 ASN 63 14.592 18.889 -25.403 406 HB3 ASN 63 HB3 ASN 63 15.098 20.330 -26.279 407 HD21 ASN 63 HD21 ASN 63 14.485 20.568 -28.450 408 HD22 ASN 63 HD22 ASN 63 13.168 19.674 -29.116 409 H GLN 64 H GLN 64 18.448 19.626 -27.452 410 HA GLN 64 HA GLN 64 19.785 19.627 -24.904 411 HB2 GLN 64 HB2 GLN 64 21.687 20.550 -26.068 412 HB3 GLN 64 HB3 GLN 64 21.012 19.237 -27.021 413 HG2 GLN 64 HG2 GLN 64 19.959 20.813 -28.515 414 HG3 GLN 64 HG3 GLN 64 20.502 22.161 -27.519 415 HE21 GLN 64 HE21 GLN 64 21.017 21.664 -30.302 416 HE22 GLN 64 HE22 GLN 64 22.733 21.572 -30.481 417 H LEU 65 H LEU 65 18.007 21.909 -26.817 418 HA LEU 65 HA LEU 65 18.918 24.176 -25.283 419 HB2 LEU 65 HB2 LEU 65 16.621 24.013 -27.229 420 HB3 LEU 65 HB3 LEU 65 17.365 25.472 -26.610 421 HG LEU 65 HG LEU 65 18.623 23.467 -28.479 422 HD11 LEU 65 HD11 LEU 65 17.824 26.341 -28.878 423 HD12 LEU 65 HD12 LEU 65 17.000 24.927 -29.536 424 HD13 LEU 65 HD13 LEU 65 18.638 25.316 -30.060 425 HD21 LEU 65 HD21 LEU 65 19.804 25.964 -27.262 426 HD22 LEU 65 HD22 LEU 65 20.544 24.995 -28.537 427 HD23 LEU 65 HD23 LEU 65 20.298 24.301 -26.934 428 H ASP 66 H ASP 66 18.242 24.434 -23.283 429 HA ASP 66 HA ASP 66 15.559 23.470 -22.614 430 HB2 ASP 66 HB2 ASP 66 16.273 23.157 -20.359 431 HB3 ASP 66 HB3 ASP 66 17.498 22.444 -21.397 432 H GLU 67 H GLU 67 17.137 26.292 -23.275 433 HA GLU 67 HA GLU 67 15.893 27.940 -21.304 434 HB2 GLU 67 HB2 GLU 67 16.549 29.868 -22.732 435 HB3 GLU 67 HB3 GLU 67 17.888 28.797 -22.372 436 HG2 GLU 67 HG2 GLU 67 17.567 27.783 -24.643 437 HG3 GLU 67 HG3 GLU 67 16.397 29.062 -24.971 438 H ALA 68 H ALA 68 15.043 26.821 -24.479 439 HA ALA 68 HA ALA 68 13.133 26.775 -25.675 440 HB1 ALA 68 HB1 ALA 68 11.771 26.920 -23.001 441 HB2 ALA 68 HB2 ALA 68 12.500 25.466 -23.682 442 HB3 ALA 68 HB3 ALA 68 11.134 26.230 -24.492 443 H LEU 69 H LEU 69 13.000 28.538 -26.892 444 HA LEU 69 HA LEU 69 11.292 30.719 -25.909 445 HB2 LEU 69 HB2 LEU 69 13.732 30.976 -27.678 446 HB3 LEU 69 HB3 LEU 69 12.625 32.280 -27.305 447 HG LEU 69 HG LEU 69 14.327 30.844 -25.267 448 HD11 LEU 69 HD11 LEU 69 15.658 32.893 -25.231 449 HD12 LEU 69 HD12 LEU 69 14.695 33.539 -26.559 450 HD13 LEU 69 HD13 LEU 69 15.702 32.115 -26.812 451 HD21 LEU 69 HD21 LEU 69 12.279 31.765 -24.320 452 HD22 LEU 69 HD22 LEU 69 12.623 33.327 -25.062 453 HD23 LEU 69 HD23 LEU 69 13.680 32.699 -23.797 454 H GLU 70 H GLU 70 10.039 28.750 -27.041 455 HA GLU 70 HA GLU 70 10.079 28.579 -29.855 456 HB2 GLU 70 HB2 GLU 70 9.017 27.035 -27.982 457 HB3 GLU 70 HB3 GLU 70 7.578 27.971 -28.366 458 HG2 GLU 70 HG2 GLU 70 7.619 25.926 -29.641 459 HG3 GLU 70 HG3 GLU 70 7.793 27.316 -30.713 460 H GLU 71 H GLU 71 7.622 30.119 -27.751 461 HA GLU 71 HA GLU 71 7.082 31.950 -29.976 462 HB2 GLU 71 HB2 GLU 71 5.179 30.340 -29.408 463 HB3 GLU 71 HB3 GLU 71 5.044 31.182 -27.871 464 HG2 GLU 71 HG2 GLU 71 4.543 33.267 -29.037 465 HG3 GLU 71 HG3 GLU 71 4.720 32.455 -30.588 466 H THR 72 H THR 72 8.548 33.411 -29.295 467 HA THR 72 HA THR 72 8.265 34.542 -26.614 468 HB THR 72 HB THR 72 10.550 33.912 -27.332 469 HG1 THR 72 HG1 THR 72 11.041 35.523 -26.041 470 HG21 THR 72 HG21 THR 72 11.698 35.222 -29.082 471 HG22 THR 72 HG22 THR 72 10.172 36.021 -29.467 472 HG23 THR 72 HG23 THR 72 10.351 34.286 -29.729 473 H PHE 73 H PHE 73 9.090 37.094 -26.958 474 HA PHE 73 HA PHE 73 6.754 38.299 -28.205 475 HB2 PHE 73 HB2 PHE 73 8.934 39.590 -26.545 476 HB3 PHE 73 HB3 PHE 73 7.387 40.306 -26.978 477 HD1 PHE 73 HD1 PHE 73 9.175 38.415 -24.569 478 HD2 PHE 73 HD2 PHE 73 5.277 39.114 -26.125 479 HE1 PHE 73 HE1 PHE 73 8.192 37.495 -22.511 480 HE2 PHE 73 HE2 PHE 73 4.290 38.196 -24.068 481 HZ PHE 73 HZ PHE 73 5.751 37.386 -22.259 482 HA PRO 74 HA PRO 74 8.919 39.937 -31.713 483 HB2 PRO 74 HB2 PRO 74 7.712 42.587 -31.386 484 HB3 PRO 74 HB3 PRO 74 7.430 41.386 -32.648 485 HG2 PRO 74 HG2 PRO 74 5.580 41.987 -30.768 486 HG3 PRO 74 HG3 PRO 74 5.727 40.377 -31.491 487 HD2 PRO 74 HD2 PRO 74 6.674 41.358 -28.833 488 HD3 PRO 74 HD3 PRO 74 5.935 39.802 -29.263 489 H ALA 75 H ALA 75 10.195 41.921 -32.474 490 HA ALA 75 HA ALA 75 12.395 42.370 -30.864 491 HB1 ALA 75 HB1 ALA 75 12.374 42.720 -33.292 492 HB2 ALA 75 HB2 ALA 75 13.017 44.120 -32.435 493 HB3 ALA 75 HB3 ALA 75 11.373 44.155 -33.071 494 H SER 76 H SER 76 12.431 43.291 -28.955 495 HA SER 76 HA SER 76 12.188 44.748 -27.255 496 HB2 SER 76 HB2 SER 76 12.954 46.447 -28.895 497 HB3 SER 76 HB3 SER 76 11.283 46.721 -29.373 498 HG SER 76 HG SER 76 12.169 47.019 -26.697 499 H ASP 77 H ASP 77 10.611 43.731 -26.127 500 HA ASP 77 HA ASP 77 7.878 43.768 -26.907 501 HB2 ASP 77 HB2 ASP 77 7.426 42.557 -24.865 502 HB3 ASP 77 HB3 ASP 77 8.899 41.916 -25.581 503 HA PRO 78 HA PRO 78 6.553 47.648 -25.238 504 HB2 PRO 78 HB2 PRO 78 3.997 46.313 -24.585 505 HB3 PRO 78 HB3 PRO 78 4.304 47.677 -25.662 506 HG2 PRO 78 HG2 PRO 78 3.680 45.262 -26.631 507 HG3 PRO 78 HG3 PRO 78 4.845 46.316 -27.452 508 HD2 PRO 78 HD2 PRO 78 5.343 43.933 -25.711 509 HD3 PRO 78 HD3 PRO 78 6.147 44.423 -27.217 510 H ILE 79 H ILE 79 6.367 48.674 -23.260 511 HA ILE 79 HA ILE 79 6.830 47.004 -20.947 512 HB ILE 79 HB ILE 79 7.172 49.102 -19.699 513 HG12 ILE 79 HG12 ILE 79 6.808 50.527 -22.340 514 HG13 ILE 79 HG13 ILE 79 5.573 50.470 -21.087 515 HG21 ILE 79 HG21 ILE 79 9.217 49.812 -20.865 516 HG22 ILE 79 HG22 ILE 79 8.708 48.886 -22.277 517 HG23 ILE 79 HG23 ILE 79 9.062 48.060 -20.759 518 HD11 ILE 79 HD11 ILE 79 6.816 52.554 -21.014 519 HD12 ILE 79 HD12 ILE 79 8.322 51.661 -20.802 520 HD13 ILE 79 HD13 ILE 79 7.083 51.611 -19.549 521 H SER 80 H SER 80 5.399 46.365 -19.592 522 HA SER 80 HA SER 80 2.713 47.444 -19.677 523 HB2 SER 80 HB2 SER 80 2.329 45.468 -18.079 524 HB3 SER 80 HB3 SER 80 2.776 45.087 -19.745 525 HG SER 80 HG SER 80 4.105 44.556 -17.427 526 HA PRO 81 HA PRO 81 3.548 50.161 -16.151 527 HB2 PRO 81 HB2 PRO 81 0.589 49.852 -15.882 528 HB3 PRO 81 HB3 PRO 81 1.569 51.324 -15.872 529 HG2 PRO 81 HG2 PRO 81 0.149 50.679 -18.017 530 HG3 PRO 81 HG3 PRO 81 1.779 51.359 -18.183 531 HD2 PRO 81 HD2 PRO 81 0.857 48.540 -18.516 532 HD3 PRO 81 HD3 PRO 81 2.098 49.436 -19.413 Start of MODEL 20 1 HA ASN 1 HA ASN 1 21.814 2.356 11.010 2 HB2 ASN 1 HB2 ASN 1 23.745 0.921 10.915 3 HB3 ASN 1 HB3 ASN 1 22.803 -0.389 10.214 4 HD21 ASN 1 HD21 ASN 1 22.287 -0.330 8.041 5 HD22 ASN 1 HD22 ASN 1 23.026 0.771 6.933 6 H GLU 2 H GLU 2 20.277 3.171 9.776 7 HA GLU 2 HA GLU 2 18.306 1.480 8.535 8 HB2 GLU 2 HB2 GLU 2 17.740 3.698 9.507 9 HB3 GLU 2 HB3 GLU 2 18.726 4.462 8.269 10 HG2 GLU 2 HG2 GLU 2 17.236 3.910 6.571 11 HG3 GLU 2 HG3 GLU 2 16.443 2.671 7.545 12 H LEU 3 H LEU 3 18.016 1.208 6.278 13 HA LEU 3 HA LEU 3 20.572 1.193 4.955 14 HB2 LEU 3 HB2 LEU 3 17.964 -0.155 4.438 15 HB3 LEU 3 HB3 LEU 3 19.140 -0.027 3.147 16 HG LEU 3 HG LEU 3 19.257 -2.199 4.295 17 HD11 LEU 3 HD11 LEU 3 21.650 -2.257 4.655 18 HD12 LEU 3 HD12 LEU 3 21.696 -0.502 4.793 19 HD13 LEU 3 HD13 LEU 3 21.266 -1.254 3.258 20 HD21 LEU 3 HD21 LEU 3 20.087 -0.589 6.694 21 HD22 LEU 3 HD22 LEU 3 20.083 -2.351 6.577 22 HD23 LEU 3 HD23 LEU 3 18.562 -1.454 6.519 23 H ARG 4 H ARG 4 20.962 1.896 2.953 24 HA ARG 4 HA ARG 4 19.346 4.216 2.098 25 HB2 ARG 4 HB2 ARG 4 22.317 3.778 2.124 26 HB3 ARG 4 HB3 ARG 4 21.635 4.737 0.824 27 HG2 ARG 4 HG2 ARG 4 22.263 6.339 2.378 28 HG3 ARG 4 HG3 ARG 4 20.549 6.127 2.726 29 HD2 ARG 4 HD2 ARG 4 21.087 4.663 4.582 30 HD3 ARG 4 HD3 ARG 4 22.802 4.772 4.199 31 HE ARG 4 HE ARG 4 22.049 7.354 4.591 32 HH11 ARG 4 HH11 ARG 4 21.743 4.424 6.522 33 HH12 ARG 4 HH12 ARG 4 21.912 5.251 8.029 34 HH21 ARG 4 HH21 ARG 4 22.251 8.443 6.591 35 HH22 ARG 4 HH22 ARG 4 22.201 7.547 8.073 36 H CYS 5 H CYS 5 19.065 4.479 -0.172 37 HA CYS 5 HA CYS 5 18.937 1.916 -1.479 38 HB2 CYS 5 HB2 CYS 5 17.011 3.373 -1.600 39 HB3 CYS 5 HB3 CYS 5 17.975 4.640 -2.336 40 H GLY 6 H GLY 6 20.051 1.295 -3.289 41 HA2 GLY 6 HA2 GLY 6 22.614 2.377 -3.668 42 HA3 GLY 6 HA3 GLY 6 21.845 1.163 -4.675 43 H CYS 7 H CYS 7 19.577 3.161 -5.162 44 HA CYS 7 HA CYS 7 20.832 4.368 -7.453 45 HB2 CYS 7 HB2 CYS 7 18.646 3.438 -7.816 46 HB3 CYS 7 HB3 CYS 7 17.966 4.374 -6.491 47 HA PRO 8 HA PRO 8 21.679 8.050 -5.051 48 HB2 PRO 8 HB2 PRO 8 22.992 9.355 -7.032 49 HB3 PRO 8 HB3 PRO 8 23.729 8.088 -6.043 50 HG2 PRO 8 HG2 PRO 8 22.603 7.926 -8.805 51 HG3 PRO 8 HG3 PRO 8 24.064 7.171 -8.146 52 HD2 PRO 8 HD2 PRO 8 21.724 5.834 -8.495 53 HD3 PRO 8 HD3 PRO 8 22.894 5.423 -7.224 54 H ASP 9 H ASP 9 19.917 7.822 -8.014 55 HA ASP 9 HA ASP 9 19.103 10.621 -7.928 56 HB2 ASP 9 HB2 ASP 9 19.568 9.422 -10.103 57 HB3 ASP 9 HB3 ASP 9 18.115 8.471 -9.809 58 H CYS 10 H CYS 10 18.159 7.663 -6.679 59 HA CYS 10 HA CYS 10 15.328 8.243 -6.541 60 HB2 CYS 10 HB2 CYS 10 15.903 5.957 -6.902 61 HB3 CYS 10 HB3 CYS 10 17.026 5.966 -5.547 62 H HIS 11 H HIS 11 14.197 8.715 -4.694 63 HA HIS 11 HA HIS 11 15.817 9.289 -2.310 64 HB2 HIS 11 HB2 HIS 11 13.496 10.850 -3.437 65 HB3 HIS 11 HB3 HIS 11 14.016 11.018 -1.764 66 HD2 HIS 11 HD2 HIS 11 15.853 11.339 -5.261 67 HE1 HIS 11 HE1 HIS 11 17.315 14.289 -2.588 68 HE2 HIS 11 HE2 HIS 11 17.532 13.268 -4.879 69 H CYS 12 H CYS 12 15.449 7.319 -1.405 70 HA CYS 12 HA CYS 12 12.827 7.018 -0.194 71 HB2 CYS 12 HB2 CYS 12 13.993 5.116 -2.151 72 HB3 CYS 12 HB3 CYS 12 13.217 4.424 -0.731 73 H LYS 13 H LYS 13 12.799 5.648 1.616 74 HA LYS 13 HA LYS 13 15.418 5.335 2.851 75 HB2 LYS 13 HB2 LYS 13 12.686 5.583 4.110 76 HB3 LYS 13 HB3 LYS 13 14.204 5.399 4.983 77 HG2 LYS 13 HG2 LYS 13 14.996 7.507 4.060 78 HG3 LYS 13 HG3 LYS 13 13.475 7.695 3.188 79 HD2 LYS 13 HD2 LYS 13 12.260 7.785 5.267 80 HD3 LYS 13 HD3 LYS 13 13.747 7.486 6.172 81 HE2 LYS 13 HE2 LYS 13 14.687 9.575 5.257 82 HE3 LYS 13 HE3 LYS 13 13.157 9.877 4.438 83 HZ1 LYS 13 HZ1 LYS 13 12.068 9.967 6.586 84 HZ2 LYS 13 HZ2 LYS 13 13.320 11.101 6.499 85 HZ3 LYS 13 HZ3 LYS 13 13.542 9.673 7.369 86 H VAL 14 H VAL 14 16.107 3.404 2.977 87 HA VAL 14 HA VAL 14 14.318 1.201 2.382 88 HB VAL 14 HB VAL 14 17.314 1.073 2.637 89 HG11 VAL 14 HG11 VAL 14 16.164 -1.055 2.592 90 HG12 VAL 14 HG12 VAL 14 17.067 -0.792 1.093 91 HG13 VAL 14 HG13 VAL 14 15.319 -0.577 1.118 92 HG21 VAL 14 HG21 VAL 14 15.684 1.786 0.209 93 HG22 VAL 14 HG22 VAL 14 17.404 1.403 0.199 94 HG23 VAL 14 HG23 VAL 14 16.823 2.832 1.057 95 H ASP 15 H ASP 15 13.641 -0.160 3.818 96 HA ASP 15 HA ASP 15 14.395 0.031 6.581 97 HB2 ASP 15 HB2 ASP 15 12.477 -1.734 5.065 98 HB3 ASP 15 HB3 ASP 15 12.718 -1.851 6.803 99 HA PRO 16 HA PRO 16 17.444 -3.222 6.370 100 HB2 PRO 16 HB2 PRO 16 17.402 -3.968 9.000 101 HB3 PRO 16 HB3 PRO 16 18.240 -2.526 8.418 102 HG2 PRO 16 HG2 PRO 16 15.551 -2.766 9.706 103 HG3 PRO 16 HG3 PRO 16 16.816 -1.550 9.970 104 HD2 PRO 16 HD2 PRO 16 14.645 -1.067 8.443 105 HD3 PRO 16 HD3 PRO 16 16.232 -0.354 8.087 106 H GLU 17 H GLU 17 14.226 -3.592 7.543 107 HA GLU 17 HA GLU 17 14.385 -6.497 7.571 108 HB2 GLU 17 HB2 GLU 17 13.217 -5.136 9.377 109 HB3 GLU 17 HB3 GLU 17 11.982 -4.770 8.187 110 HG2 GLU 17 HG2 GLU 17 11.386 -7.090 8.015 111 HG3 GLU 17 HG3 GLU 17 12.726 -7.553 9.060 112 H ARG 18 H ARG 18 13.780 -4.084 5.315 113 HA ARG 18 HA ARG 18 12.511 -6.018 3.528 114 HB2 ARG 18 HB2 ARG 18 11.458 -3.214 3.973 115 HB3 ARG 18 HB3 ARG 18 11.034 -4.187 2.578 116 HG2 ARG 18 HG2 ARG 18 10.215 -5.919 4.310 117 HG3 ARG 18 HG3 ARG 18 10.269 -4.570 5.448 118 HD2 ARG 18 HD2 ARG 18 8.031 -4.728 4.534 119 HD3 ARG 18 HD3 ARG 18 8.807 -3.274 3.904 120 HE ARG 18 HE ARG 18 9.198 -5.471 2.156 121 HH11 ARG 18 HH11 ARG 18 6.778 -3.147 3.139 122 HH12 ARG 18 HH12 ARG 18 5.918 -3.204 1.640 123 HH21 ARG 18 HH21 ARG 18 8.068 -5.565 0.166 124 HH22 ARG 18 HH22 ARG 18 6.656 -4.591 -0.061 125 H VAL 19 H VAL 19 15.203 -4.840 3.818 126 HA VAL 19 HA VAL 19 15.523 -3.083 1.555 127 HB VAL 19 HB VAL 19 17.175 -2.666 3.268 128 HG11 VAL 19 HG11 VAL 19 17.879 -5.602 3.107 129 HG12 VAL 19 HG12 VAL 19 17.003 -4.825 4.428 130 HG13 VAL 19 HG13 VAL 19 18.685 -4.396 4.109 131 HG21 VAL 19 HG21 VAL 19 19.288 -3.073 2.142 132 HG22 VAL 19 HG22 VAL 19 18.050 -2.555 0.997 133 HG23 VAL 19 HG23 VAL 19 18.514 -4.253 1.085 134 H PHE 20 H PHE 20 15.656 -3.666 -0.490 135 HA PHE 20 HA PHE 20 15.975 -6.431 -1.194 136 HB2 PHE 20 HB2 PHE 20 15.434 -3.906 -2.707 137 HB3 PHE 20 HB3 PHE 20 15.905 -5.371 -3.563 138 HD1 PHE 20 HD1 PHE 20 13.334 -3.855 -1.403 139 HD2 PHE 20 HD2 PHE 20 14.405 -7.166 -3.847 140 HE1 PHE 20 HE1 PHE 20 11.005 -4.643 -1.349 141 HE2 PHE 20 HE2 PHE 20 12.080 -7.962 -3.799 142 HZ PHE 20 HZ PHE 20 10.377 -6.701 -2.551 143 H ASN 21 H ASN 21 17.953 -7.237 -1.046 144 HA ASN 21 HA ASN 21 20.247 -5.570 -1.638 145 HB2 ASN 21 HB2 ASN 21 20.080 -8.432 -0.708 146 HB3 ASN 21 HB3 ASN 21 21.575 -7.559 -0.979 147 HD21 ASN 21 HD21 ASN 21 20.673 -5.051 0.032 148 HD22 ASN 21 HD22 ASN 21 20.544 -5.220 1.748 149 H HIS 22 H HIS 22 21.269 -5.525 -3.449 150 HA HIS 22 HA HIS 22 21.120 -7.824 -5.240 151 HB2 HIS 22 HB2 HIS 22 19.445 -6.132 -5.994 152 HB3 HIS 22 HB3 HIS 22 20.743 -4.961 -6.139 153 HD2 HIS 22 HD2 HIS 22 19.553 -8.235 -7.948 154 HE1 HIS 22 HE1 HIS 22 22.261 -6.180 -10.470 155 HE2 HIS 22 HE2 HIS 22 20.835 -8.227 -10.184 156 H ASP 23 H ASP 23 23.115 -8.406 -5.741 157 HA ASP 23 HA ASP 23 25.351 -8.368 -6.154 158 HB2 ASP 23 HB2 ASP 23 24.575 -6.643 -7.848 159 HB3 ASP 23 HB3 ASP 23 25.037 -5.404 -6.689 160 H GLY 24 H GLY 24 24.213 -7.679 -3.475 161 HA2 GLY 24 HA2 GLY 24 25.289 -7.445 -1.415 162 HA3 GLY 24 HA3 GLY 24 26.717 -6.864 -2.258 163 H GLU 25 H GLU 25 23.960 -5.307 -3.338 164 HA GLU 25 HA GLU 25 24.593 -2.994 -1.658 165 HB2 GLU 25 HB2 GLU 25 23.899 -3.293 -4.503 166 HB3 GLU 25 HB3 GLU 25 23.195 -1.907 -3.678 167 HG2 GLU 25 HG2 GLU 25 25.368 -1.139 -3.033 168 HG3 GLU 25 HG3 GLU 25 26.124 -2.578 -3.723 169 H ALA 26 H ALA 26 22.871 -1.564 -1.128 170 HA ALA 26 HA ALA 26 20.431 -3.042 -0.521 171 HB1 ALA 26 HB1 ALA 26 20.039 -1.287 1.139 172 HB2 ALA 26 HB2 ALA 26 21.497 -0.454 0.602 173 HB3 ALA 26 HB3 ALA 26 21.618 -2.041 1.363 174 H TYR 27 H TYR 27 18.516 -2.457 -1.351 175 HA TYR 27 HA TYR 27 18.313 0.101 -2.760 176 HB2 TYR 27 HB2 TYR 27 17.632 -2.611 -3.905 177 HB3 TYR 27 HB3 TYR 27 17.072 -1.097 -4.611 178 HD1 TYR 27 HD1 TYR 27 19.803 -3.441 -4.299 179 HD2 TYR 27 HD2 TYR 27 18.775 0.496 -5.544 180 HE1 TYR 27 HE1 TYR 27 21.887 -3.312 -5.597 181 HE2 TYR 27 HE2 TYR 27 20.851 0.640 -6.849 182 HH TYR 27 HH TYR 27 23.245 -0.594 -6.648 183 H CYS 28 H CYS 28 16.127 0.867 -2.972 184 HA CYS 28 HA CYS 28 14.572 0.267 -0.672 185 HB2 CYS 28 HB2 CYS 28 12.999 1.902 -1.490 186 HB3 CYS 28 HB3 CYS 28 14.624 2.505 -1.786 187 H SER 29 H SER 29 14.465 -0.693 -4.001 188 HA SER 29 HA SER 29 12.624 -2.808 -3.361 189 HB2 SER 29 HB2 SER 29 11.055 -1.037 -3.919 190 HB3 SER 29 HB3 SER 29 11.958 -0.642 -5.373 191 HG SER 29 HG SER 29 10.054 -2.523 -5.000 192 H GLN 30 H GLN 30 12.468 -4.344 -5.074 193 HA GLN 30 HA GLN 30 14.820 -5.028 -6.371 194 HB2 GLN 30 HB2 GLN 30 12.780 -6.471 -5.853 195 HB3 GLN 30 HB3 GLN 30 12.060 -5.807 -7.310 196 HG2 GLN 30 HG2 GLN 30 13.790 -6.783 -8.667 197 HG3 GLN 30 HG3 GLN 30 14.655 -7.328 -7.230 198 HE21 GLN 30 HE21 GLN 30 14.567 -9.483 -7.875 199 HE22 GLN 30 HE22 GLN 30 13.107 -10.404 -7.801 200 H ALA 31 H ALA 31 12.351 -2.794 -7.301 201 HA ALA 31 HA ALA 31 12.754 -2.636 -10.073 202 HB1 ALA 31 HB1 ALA 31 11.972 -0.419 -8.173 203 HB2 ALA 31 HB2 ALA 31 10.862 -1.575 -8.904 204 HB3 ALA 31 HB3 ALA 31 11.729 -0.421 -9.919 205 H CYS 32 H CYS 32 14.193 -0.630 -7.467 206 HA CYS 32 HA CYS 32 16.078 0.589 -9.227 207 HB2 CYS 32 HB2 CYS 32 15.595 0.624 -6.284 208 HB3 CYS 32 HB3 CYS 32 17.167 1.139 -6.876 209 H ALA 33 H ALA 33 15.982 -2.309 -7.364 210 HA ALA 33 HA ALA 33 18.676 -2.793 -6.964 211 HB1 ALA 33 HB1 ALA 33 16.934 -4.165 -5.962 212 HB2 ALA 33 HB2 ALA 33 18.057 -5.176 -6.872 213 HB3 ALA 33 HB3 ALA 33 16.482 -4.783 -7.550 214 H GLU 34 H GLU 34 16.629 -3.445 -9.799 215 HA GLU 34 HA GLU 34 18.837 -4.558 -11.286 216 HB2 GLU 34 HB2 GLU 34 16.038 -3.869 -12.154 217 HB3 GLU 34 HB3 GLU 34 17.229 -4.688 -13.154 218 HG2 GLU 34 HG2 GLU 34 17.272 -6.296 -11.042 219 HG3 GLU 34 HG3 GLU 34 15.637 -5.677 -10.884 220 H GLN 35 H GLN 35 18.300 -1.539 -10.392 221 HA GLN 35 HA GLN 35 19.003 0.508 -11.089 222 HB2 GLN 35 HB2 GLN 35 20.549 -1.006 -13.189 223 HB3 GLN 35 HB3 GLN 35 20.916 0.588 -12.540 224 HG2 GLN 35 HG2 GLN 35 21.419 -0.363 -10.381 225 HG3 GLN 35 HG3 GLN 35 20.938 -1.961 -10.944 226 HE21 GLN 35 HE21 GLN 35 23.353 0.504 -11.069 227 HE22 GLN 35 HE22 GLN 35 24.581 -0.451 -11.815 228 H HIS 36 H HIS 36 16.560 -0.425 -12.137 229 HA HIS 36 HA HIS 36 14.946 0.111 -13.645 230 HB2 HIS 36 HB2 HIS 36 16.828 2.268 -14.594 231 HB3 HIS 36 HB3 HIS 36 15.082 2.228 -14.819 232 HD1 HIS 36 HD1 HIS 36 13.627 2.608 -12.604 233 HD2 HIS 36 HD2 HIS 36 17.704 3.345 -12.256 234 HE1 HIS 36 HE1 HIS 36 13.900 3.929 -10.489 235 HA PRO 37 HA PRO 37 17.189 -2.224 -16.901 236 HB2 PRO 37 HB2 PRO 37 15.410 -4.268 -17.029 237 HB3 PRO 37 HB3 PRO 37 16.715 -4.209 -15.839 238 HG2 PRO 37 HG2 PRO 37 13.823 -3.540 -15.516 239 HG3 PRO 37 HG3 PRO 37 14.911 -4.386 -14.400 240 HD2 PRO 37 HD2 PRO 37 14.217 -1.757 -14.142 241 HD3 PRO 37 HD3 PRO 37 15.744 -2.431 -13.544 242 H ASN 38 H ASN 38 13.692 -1.726 -16.624 243 HA ASN 38 HA ASN 38 13.514 -1.450 -19.544 244 HB2 ASN 38 HB2 ASN 38 11.384 -1.840 -17.426 245 HB3 ASN 38 HB3 ASN 38 11.005 -1.438 -19.092 246 HD21 ASN 38 HD21 ASN 38 13.617 -3.588 -18.176 247 HD22 ASN 38 HD22 ASN 38 12.888 -5.027 -18.790 248 H GLY 39 H GLY 39 14.192 0.426 -17.031 249 HA2 GLY 39 HA2 GLY 39 14.265 2.777 -16.998 250 HA3 GLY 39 HA3 GLY 39 13.004 2.811 -18.228 251 H GLU 40 H GLU 40 11.904 0.597 -16.263 252 HA GLU 40 HA GLU 40 9.798 2.011 -15.181 253 HB2 GLU 40 HB2 GLU 40 9.526 -0.047 -13.703 254 HB3 GLU 40 HB3 GLU 40 9.566 -0.335 -15.434 255 HG2 GLU 40 HG2 GLU 40 12.000 -0.929 -15.185 256 HG3 GLU 40 HG3 GLU 40 11.773 -0.840 -13.441 257 HA PRO 41 HA PRO 41 11.835 4.071 -11.711 258 HB2 PRO 41 HB2 PRO 41 9.104 4.865 -10.948 259 HB3 PRO 41 HB3 PRO 41 10.473 5.882 -11.402 260 HG2 PRO 41 HG2 PRO 41 8.333 5.583 -13.005 261 HG3 PRO 41 HG3 PRO 41 9.971 5.786 -13.651 262 HD2 PRO 41 HD2 PRO 41 8.349 3.286 -13.350 263 HD3 PRO 41 HD3 PRO 41 9.381 3.811 -14.699 264 H CYS 42 H CYS 42 11.393 4.154 -9.270 265 HA CYS 42 HA CYS 42 10.879 1.481 -8.347 266 HB2 CYS 42 HB2 CYS 42 11.583 2.279 -6.184 267 HB3 CYS 42 HB3 CYS 42 12.642 3.007 -7.381 268 HA PRO 43 HA PRO 43 6.610 1.727 -7.259 269 HB2 PRO 43 HB2 PRO 43 6.516 0.493 -4.840 270 HB3 PRO 43 HB3 PRO 43 6.830 -0.367 -6.357 271 HG2 PRO 43 HG2 PRO 43 8.781 0.662 -4.333 272 HG3 PRO 43 HG3 PRO 43 8.693 -0.945 -5.080 273 HD2 PRO 43 HD2 PRO 43 10.404 0.870 -5.976 274 HD3 PRO 43 HD3 PRO 43 9.536 -0.187 -7.105 275 H ALA 44 H ALA 44 8.255 4.106 -6.319 276 HA ALA 44 HA ALA 44 6.534 4.938 -4.069 277 HB1 ALA 44 HB1 ALA 44 8.927 5.036 -3.558 278 HB2 ALA 44 HB2 ALA 44 8.229 6.655 -3.605 279 HB3 ALA 44 HB3 ALA 44 9.191 6.067 -4.962 280 HA PRO 45 HA PRO 45 4.512 7.339 -7.197 281 HB2 PRO 45 HB2 PRO 45 2.824 8.747 -5.613 282 HB3 PRO 45 HB3 PRO 45 2.589 7.032 -5.972 283 HG2 PRO 45 HG2 PRO 45 3.773 8.312 -3.539 284 HG3 PRO 45 HG3 PRO 45 2.642 6.952 -3.648 285 HD2 PRO 45 HD2 PRO 45 5.314 6.633 -3.238 286 HD3 PRO 45 HD3 PRO 45 4.316 5.437 -4.091 287 H ASP 46 H ASP 46 5.947 8.889 -4.392 288 HA ASP 46 HA ASP 46 5.835 11.520 -5.596 289 HB2 ASP 46 HB2 ASP 46 7.227 10.582 -3.077 290 HB3 ASP 46 HB3 ASP 46 7.038 12.259 -3.573 291 H CYS 47 H CYS 47 7.849 8.873 -5.814 292 HA CYS 47 HA CYS 47 10.262 10.421 -6.251 293 HB2 CYS 47 HB2 CYS 47 10.022 8.130 -5.032 294 HB3 CYS 47 HB3 CYS 47 10.039 7.478 -6.668 295 H HIS 48 H HIS 48 11.449 10.312 -8.246 296 HA HIS 48 HA HIS 48 9.961 9.387 -10.598 297 HB2 HIS 48 HB2 HIS 48 10.913 12.234 -10.216 298 HB3 HIS 48 HB3 HIS 48 10.403 11.573 -11.761 299 HD1 HIS 48 HD1 HIS 48 7.887 11.366 -12.177 300 HD2 HIS 48 HD2 HIS 48 8.832 12.631 -8.333 301 HE1 HIS 48 HE1 HIS 48 5.713 12.108 -11.143 302 HE2 HIS 48 HE2 HIS 48 6.294 12.694 -8.775 303 H CYS 49 H CYS 49 12.215 8.182 -9.558 304 HA CYS 49 HA CYS 49 14.460 9.152 -11.135 305 HB2 CYS 49 HB2 CYS 49 15.743 7.379 -9.990 306 HB3 CYS 49 HB3 CYS 49 14.955 8.484 -8.866 307 H GLU 50 H GLU 50 15.117 8.247 -12.972 308 HA GLU 50 HA GLU 50 14.658 5.574 -13.753 309 HB2 GLU 50 HB2 GLU 50 13.067 6.021 -15.634 310 HB3 GLU 50 HB3 GLU 50 12.352 6.177 -14.036 311 HG2 GLU 50 HG2 GLU 50 12.578 8.619 -14.190 312 HG3 GLU 50 HG3 GLU 50 13.248 8.441 -15.810 313 H ARG 51 H ARG 51 15.458 8.863 -14.562 314 HA ARG 51 HA ARG 51 17.237 7.885 -16.689 315 HB2 ARG 51 HB2 ARG 51 16.863 10.073 -17.784 316 HB3 ARG 51 HB3 ARG 51 15.403 9.091 -17.649 317 HG2 ARG 51 HG2 ARG 51 14.513 10.408 -15.951 318 HG3 ARG 51 HG3 ARG 51 16.068 11.160 -15.598 319 HD2 ARG 51 HD2 ARG 51 16.003 12.404 -17.617 320 HD3 ARG 51 HD3 ARG 51 14.599 11.506 -18.188 321 HE ARG 51 HE ARG 51 13.275 12.602 -16.524 322 HH11 ARG 51 HH11 ARG 51 16.506 13.928 -16.904 323 HH12 ARG 51 HH12 ARG 51 16.077 15.479 -16.273 324 HH21 ARG 51 HH21 ARG 51 12.716 14.665 -15.697 325 HH22 ARG 51 HH22 ARG 51 13.926 15.895 -15.585 326 H SER 52 H SER 52 17.038 9.287 -13.744 327 HA SER 52 HA SER 52 18.433 10.361 -12.341 328 HB2 SER 52 HB2 SER 52 20.439 10.097 -14.581 329 HB3 SER 52 HB3 SER 52 20.822 10.606 -12.934 330 HG SER 52 HG SER 52 19.446 8.309 -12.842 331 H GLY 53 H GLY 53 18.899 12.491 -11.807 332 HA2 GLY 53 HA2 GLY 53 17.679 14.543 -13.223 333 HA3 GLY 53 HA3 GLY 53 18.929 14.786 -12.012 334 H LYS 54 H LYS 54 21.132 13.753 -13.161 335 HA LYS 54 HA LYS 54 21.665 15.663 -15.265 336 HB2 LYS 54 HB2 LYS 54 23.433 13.726 -13.767 337 HB3 LYS 54 HB3 LYS 54 24.015 14.738 -15.080 338 HG2 LYS 54 HG2 LYS 54 23.546 16.729 -13.848 339 HG3 LYS 54 HG3 LYS 54 22.723 15.815 -12.590 340 HD2 LYS 54 HD2 LYS 54 24.924 16.439 -11.807 341 HD3 LYS 54 HD3 LYS 54 24.871 14.696 -12.049 342 HE2 LYS 54 HE2 LYS 54 25.895 16.507 -14.209 343 HE3 LYS 54 HE3 LYS 54 26.933 16.045 -12.865 344 HZ1 LYS 54 HZ1 LYS 54 25.612 14.194 -14.777 345 HZ2 LYS 54 HZ2 LYS 54 26.535 13.708 -13.452 346 HZ3 LYS 54 HZ3 LYS 54 27.256 14.563 -14.713 347 H VAL 55 H VAL 55 20.780 15.029 -17.131 348 HA VAL 55 HA VAL 55 20.780 12.287 -17.976 349 HB VAL 55 HB VAL 55 19.954 14.795 -19.458 350 HG11 VAL 55 HG11 VAL 55 19.461 11.899 -20.150 351 HG12 VAL 55 HG12 VAL 55 20.535 13.002 -21.011 352 HG13 VAL 55 HG13 VAL 55 18.795 13.292 -21.003 353 HG21 VAL 55 HG21 VAL 55 18.305 12.704 -18.044 354 HG22 VAL 55 HG22 VAL 55 17.674 14.085 -18.941 355 HG23 VAL 55 HG23 VAL 55 18.610 14.340 -17.468 356 H GLY 56 H GLY 56 22.275 11.289 -19.147 357 HA2 GLY 56 HA2 GLY 56 24.644 12.734 -19.952 358 HA3 GLY 56 HA3 GLY 56 24.382 11.002 -20.085 359 H GLY 57 H GLY 57 22.992 13.976 -21.460 360 HA2 GLY 57 HA2 GLY 57 23.097 12.647 -24.100 361 HA3 GLY 57 HA3 GLY 57 21.840 13.784 -23.635 362 H ARG 58 H ARG 58 22.623 14.720 -25.757 363 HA ARG 58 HA ARG 58 25.135 16.127 -25.668 364 HB2 ARG 58 HB2 ARG 58 24.325 15.311 -27.829 365 HB3 ARG 58 HB3 ARG 58 22.865 16.276 -27.672 366 HG2 ARG 58 HG2 ARG 58 24.225 18.329 -27.740 367 HG3 ARG 58 HG3 ARG 58 25.674 17.348 -27.941 368 HD2 ARG 58 HD2 ARG 58 24.927 16.562 -30.080 369 HD3 ARG 58 HD3 ARG 58 23.334 17.282 -29.845 370 HE ARG 58 HE ARG 58 25.686 19.024 -29.910 371 HH11 ARG 58 HH11 ARG 58 22.755 17.871 -31.470 372 HH12 ARG 58 HH12 ARG 58 22.650 19.209 -32.560 373 HH21 ARG 58 HH21 ARG 58 25.538 20.814 -31.343 374 HH22 ARG 58 HH22 ARG 58 24.246 20.892 -32.485 375 H ASP 59 H ASP 59 25.484 18.032 -24.850 376 HA ASP 59 HA ASP 59 25.263 20.152 -24.105 377 HB2 ASP 59 HB2 ASP 59 23.865 20.275 -26.335 378 HB3 ASP 59 HB3 ASP 59 22.500 20.415 -25.230 379 H ILE 60 H ILE 60 23.351 21.625 -22.952 380 HA ILE 60 HA ILE 60 22.596 19.953 -20.653 381 HB ILE 60 HB ILE 60 22.484 22.974 -20.722 382 HG12 ILE 60 HG12 ILE 60 24.761 22.280 -21.440 383 HG13 ILE 60 HG13 ILE 60 24.767 23.083 -19.876 384 HG21 ILE 60 HG21 ILE 60 21.412 21.848 -18.836 385 HG22 ILE 60 HG22 ILE 60 22.832 22.747 -18.299 386 HG23 ILE 60 HG23 ILE 60 22.913 20.994 -18.478 387 HD11 ILE 60 HD11 ILE 60 26.271 21.188 -19.885 388 HD12 ILE 60 HD12 ILE 60 24.952 20.117 -20.355 389 HD13 ILE 60 HD13 ILE 60 24.932 20.899 -18.774 390 H THR 61 H THR 61 21.048 19.697 -22.946 391 HA THR 61 HA THR 61 18.912 19.638 -23.677 392 HB THR 61 HB THR 61 18.036 20.648 -20.956 393 HG1 THR 61 HG1 THR 61 19.024 18.092 -21.747 394 HG21 THR 61 HG21 THR 61 16.123 19.179 -21.368 395 HG22 THR 61 HG22 THR 61 16.846 18.656 -22.889 396 HG23 THR 61 HG23 THR 61 16.311 20.324 -22.697 397 H ASN 62 H ASN 62 20.457 22.008 -24.094 398 HA ASN 62 HA ASN 62 18.935 24.366 -23.690 399 HB2 ASN 62 HB2 ASN 62 21.334 24.484 -24.096 400 HB3 ASN 62 HB3 ASN 62 21.136 23.739 -25.676 401 HD21 ASN 62 HD21 ASN 62 20.676 26.637 -23.793 402 HD22 ASN 62 HD22 ASN 62 20.445 27.700 -25.132 403 H ASN 63 H ASN 63 17.667 25.535 -25.146 404 HA ASN 63 HA ASN 63 16.029 23.959 -26.859 405 HB2 ASN 63 HB2 ASN 63 16.170 26.945 -26.410 406 HB3 ASN 63 HB3 ASN 63 14.987 26.179 -27.461 407 HD21 ASN 63 HD21 ASN 63 14.587 23.867 -25.789 408 HD22 ASN 63 HD22 ASN 63 13.710 24.404 -24.404 409 H GLN 64 H GLN 64 17.170 23.120 -28.546 410 HA GLN 64 HA GLN 64 18.804 24.841 -30.200 411 HB2 GLN 64 HB2 GLN 64 19.272 22.844 -31.527 412 HB3 GLN 64 HB3 GLN 64 19.532 22.545 -29.817 413 HG2 GLN 64 HG2 GLN 64 17.447 21.328 -29.674 414 HG3 GLN 64 HG3 GLN 64 17.083 21.708 -31.357 415 HE21 GLN 64 HE21 GLN 64 17.400 19.112 -30.045 416 HE22 GLN 64 HE22 GLN 64 18.644 18.290 -30.916 417 H LEU 65 H LEU 65 15.606 24.186 -29.946 418 HA LEU 65 HA LEU 65 15.023 24.583 -32.782 419 HB2 LEU 65 HB2 LEU 65 13.079 24.191 -30.507 420 HB3 LEU 65 HB3 LEU 65 12.745 24.055 -32.220 421 HG LEU 65 HG LEU 65 14.489 22.179 -30.623 422 HD11 LEU 65 HD11 LEU 65 12.152 21.946 -30.046 423 HD12 LEU 65 HD12 LEU 65 12.694 20.560 -30.993 424 HD13 LEU 65 HD13 LEU 65 11.720 21.819 -31.751 425 HD21 LEU 65 HD21 LEU 65 14.481 20.798 -32.649 426 HD22 LEU 65 HD22 LEU 65 15.246 22.363 -32.922 427 HD23 LEU 65 HD23 LEU 65 13.607 22.069 -33.506 428 H ASP 66 H ASP 66 14.229 26.481 -33.560 429 HA ASP 66 HA ASP 66 14.418 28.790 -31.852 430 HB2 ASP 66 HB2 ASP 66 13.653 28.519 -34.765 431 HB3 ASP 66 HB3 ASP 66 13.794 30.057 -33.922 432 H GLU 67 H GLU 67 12.795 28.536 -30.362 433 HA GLU 67 HA GLU 67 10.134 29.190 -31.357 434 HB2 GLU 67 HB2 GLU 67 10.146 26.763 -31.108 435 HB3 GLU 67 HB3 GLU 67 10.726 26.918 -29.458 436 HG2 GLU 67 HG2 GLU 67 8.643 28.022 -28.825 437 HG3 GLU 67 HG3 GLU 67 8.065 27.876 -30.484 438 H ALA 68 H ALA 68 9.691 31.039 -30.421 439 HA ALA 68 HA ALA 68 9.207 32.599 -28.870 440 HB1 ALA 68 HB1 ALA 68 8.823 31.979 -26.565 441 HB2 ALA 68 HB2 ALA 68 9.672 30.452 -26.806 442 HB3 ALA 68 HB3 ALA 68 8.149 30.752 -27.640 443 H LEU 69 H LEU 69 10.626 34.161 -28.865 444 HA LEU 69 HA LEU 69 12.926 33.919 -27.086 445 HB2 LEU 69 HB2 LEU 69 14.245 35.306 -28.770 446 HB3 LEU 69 HB3 LEU 69 14.004 33.613 -29.135 447 HG LEU 69 HG LEU 69 12.022 34.455 -30.585 448 HD11 LEU 69 HD11 LEU 69 12.363 36.673 -31.548 449 HD12 LEU 69 HD12 LEU 69 13.672 36.968 -30.403 450 HD13 LEU 69 HD13 LEU 69 12.020 36.761 -29.820 451 HD21 LEU 69 HD21 LEU 69 13.520 34.724 -32.489 452 HD22 LEU 69 HD22 LEU 69 14.025 33.390 -31.451 453 HD23 LEU 69 HD23 LEU 69 14.882 34.931 -31.389 454 H GLU 70 H GLU 70 13.445 35.736 -25.939 455 HA GLU 70 HA GLU 70 11.492 37.944 -26.155 456 HB2 GLU 70 HB2 GLU 70 13.032 37.055 -23.719 457 HB3 GLU 70 HB3 GLU 70 11.754 38.259 -23.776 458 HG2 GLU 70 HG2 GLU 70 10.125 36.575 -24.300 459 HG3 GLU 70 HG3 GLU 70 11.385 35.345 -24.419 460 H GLU 71 H GLU 71 14.345 37.443 -27.263 461 HA GLU 71 HA GLU 71 15.870 39.531 -25.956 462 HB2 GLU 71 HB2 GLU 71 16.739 37.277 -26.872 463 HB3 GLU 71 HB3 GLU 71 16.693 38.062 -28.441 464 HG2 GLU 71 HG2 GLU 71 18.290 39.687 -27.754 465 HG3 GLU 71 HG3 GLU 71 18.205 39.141 -26.080 466 H THR 72 H THR 72 13.409 40.235 -27.422 467 HA THR 72 HA THR 72 14.420 42.508 -28.782 468 HB THR 72 HB THR 72 14.711 40.800 -30.576 469 HG1 THR 72 HG1 THR 72 14.002 42.175 -32.083 470 HG21 THR 72 HG21 THR 72 11.698 40.580 -30.419 471 HG22 THR 72 HG22 THR 72 12.850 39.315 -29.992 472 HG23 THR 72 HG23 THR 72 12.714 39.856 -31.666 473 H PHE 73 H PHE 73 12.503 43.662 -29.900 474 HA PHE 73 HA PHE 73 10.072 43.270 -28.302 475 HB2 PHE 73 HB2 PHE 73 9.799 45.759 -28.275 476 HB3 PHE 73 HB3 PHE 73 11.210 45.208 -27.389 477 HD1 PHE 73 HD1 PHE 73 9.992 47.197 -30.149 478 HD2 PHE 73 HD2 PHE 73 13.475 45.528 -28.363 479 HE1 PHE 73 HE1 PHE 73 11.396 48.752 -31.436 480 HE2 PHE 73 HE2 PHE 73 14.882 47.080 -29.649 481 HZ PHE 73 HZ PHE 73 13.843 48.695 -31.186 482 HA PRO 74 HA PRO 74 8.062 43.278 -32.195 483 HB2 PRO 74 HB2 PRO 74 5.550 43.904 -31.562 484 HB3 PRO 74 HB3 PRO 74 6.302 42.426 -30.948 485 HG2 PRO 74 HG2 PRO 74 5.853 45.039 -29.566 486 HG3 PRO 74 HG3 PRO 74 5.657 43.392 -28.939 487 HD2 PRO 74 HD2 PRO 74 7.871 44.988 -28.500 488 HD3 PRO 74 HD3 PRO 74 7.867 43.218 -28.395 489 H ALA 75 H ALA 75 6.399 44.613 -33.543 490 HA ALA 75 HA ALA 75 7.550 47.090 -34.171 491 HB1 ALA 75 HB1 ALA 75 6.287 45.739 -35.784 492 HB2 ALA 75 HB2 ALA 75 5.672 47.390 -35.695 493 HB3 ALA 75 HB3 ALA 75 4.800 46.079 -34.898 494 H SER 76 H SER 76 4.882 46.208 -32.109 495 HA SER 76 HA SER 76 4.674 49.019 -31.305 496 HB2 SER 76 HB2 SER 76 2.631 48.171 -32.455 497 HB3 SER 76 HB3 SER 76 2.475 46.937 -31.206 498 HG SER 76 HG SER 76 2.555 49.721 -30.659 499 H ASP 77 H ASP 77 6.289 48.732 -29.725 500 HA ASP 77 HA ASP 77 5.849 46.754 -27.657 501 HB2 ASP 77 HB2 ASP 77 7.967 47.460 -26.725 502 HB3 ASP 77 HB3 ASP 77 8.155 47.266 -28.462 503 HA PRO 78 HA PRO 78 3.442 49.309 -25.060 504 HB2 PRO 78 HB2 PRO 78 4.009 48.256 -22.634 505 HB3 PRO 78 HB3 PRO 78 3.040 47.401 -23.842 506 HG2 PRO 78 HG2 PRO 78 5.949 47.094 -23.192 507 HG3 PRO 78 HG3 PRO 78 4.729 45.838 -23.462 508 HD2 PRO 78 HD2 PRO 78 6.477 46.577 -25.376 509 HD3 PRO 78 HD3 PRO 78 4.821 46.063 -25.756 510 H ILE 79 H ILE 79 3.504 51.022 -23.642 511 HA ILE 79 HA ILE 79 6.002 52.389 -23.422 512 HB ILE 79 HB ILE 79 4.622 54.090 -22.110 513 HG12 ILE 79 HG12 ILE 79 2.101 53.870 -22.633 514 HG13 ILE 79 HG13 ILE 79 2.426 52.167 -22.899 515 HG21 ILE 79 HG21 ILE 79 3.818 53.393 -24.924 516 HG22 ILE 79 HG22 ILE 79 5.181 54.398 -24.431 517 HG23 ILE 79 HG23 ILE 79 3.530 54.944 -24.135 518 HD11 ILE 79 HD11 ILE 79 3.207 51.963 -20.592 519 HD12 ILE 79 HD12 ILE 79 1.552 52.567 -20.673 520 HD13 ILE 79 HD13 ILE 79 2.880 53.676 -20.332 521 H SER 80 H SER 80 6.877 53.244 -21.445 522 HA SER 80 HA SER 80 7.133 51.213 -19.454 523 HB2 SER 80 HB2 SER 80 8.653 52.955 -18.402 524 HB3 SER 80 HB3 SER 80 9.085 52.449 -20.037 525 HG SER 80 HG SER 80 7.504 54.742 -19.477 526 HA PRO 81 HA PRO 81 4.026 52.391 -16.507 527 HB2 PRO 81 HB2 PRO 81 6.222 52.339 -14.486 528 HB3 PRO 81 HB3 PRO 81 4.652 51.529 -14.457 529 HG2 PRO 81 HG2 PRO 81 6.853 50.152 -14.990 530 HG3 PRO 81 HG3 PRO 81 5.352 49.832 -15.880 531 HD2 PRO 81 HD2 PRO 81 7.800 51.305 -16.755 532 HD3 PRO 81 HD3 PRO 81 6.729 50.236 -17.685
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