NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
643282 | 6u4n | 30659 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 HT1 MET 1 86.561 -23.217 14.178 2 HA MET 1 HA MET 1 87.854 -23.884 15.990 3 HB2 MET 1 HB2 MET 1 89.095 -25.027 13.470 4 HB3 MET 1 HB1 MET 1 89.203 -25.750 15.078 5 HG2 MET 1 HG2 MET 1 86.616 -25.119 13.721 6 HG3 MET 1 HG1 MET 1 87.426 -26.669 13.547 7 HE1 MET 1 HE1 MET 1 84.946 -28.116 15.916 8 HE2 MET 1 HE2 MET 1 86.177 -28.475 14.709 9 HE3 MET 1 HE3 MET 1 84.904 -27.315 14.339 10 H ALA 2 HN ALA 2 90.563 -24.527 14.166 11 HA ALA 2 HA ALA 2 92.098 -22.101 14.840 12 HB1 ALA 2 HB1 ALA 2 92.936 -24.730 16.075 13 HB2 ALA 2 HB2 ALA 2 92.011 -23.516 16.960 14 HB3 ALA 2 HB3 ALA 2 93.628 -23.134 16.367 15 H LEU 3 HN LEU 3 92.378 -25.541 14.001 16 HA LEU 3 HA LEU 3 94.760 -25.675 12.634 17 HB2 LEU 3 HB2 LEU 3 92.055 -26.837 11.963 18 HB3 LEU 3 HB1 LEU 3 93.489 -27.249 11.027 19 HG LEU 3 HG LEU 3 93.284 -27.557 14.037 20 HD11 LEU 3 HD11 LEU 3 91.702 -29.084 13.119 21 HD12 LEU 3 HD12 LEU 3 93.154 -30.038 13.421 22 HD13 LEU 3 HD13 LEU 3 92.773 -29.505 11.783 23 HD21 LEU 3 HD21 LEU 3 95.564 -27.568 13.643 24 HD22 LEU 3 HD22 LEU 3 95.395 -28.120 11.978 25 HD23 LEU 3 HD23 LEU 3 95.230 -29.263 13.309 26 H ASP 4 HN ASP 4 91.850 -25.414 10.758 27 HA ASP 4 HA ASP 4 91.311 -24.290 8.834 28 HB2 ASP 4 HB2 ASP 4 91.392 -22.270 10.080 29 HB3 ASP 4 HB1 ASP 4 93.148 -22.281 10.117 30 H GLY 5 HN GLY 5 94.347 -25.474 9.432 31 HA2 GLY 5 HA2 GLY 5 95.397 -26.662 7.497 32 HA3 GLY 5 HA1 GLY 5 95.126 -25.191 6.566 33 H ILE 6 HN ILE 6 95.732 -23.863 9.277 34 HA ILE 6 HA ILE 6 98.714 -23.823 8.938 35 HB ILE 6 HB ILE 6 98.067 -21.438 10.208 36 HG12 ILE 6 HG12 ILE 6 95.609 -22.140 9.786 37 HG13 ILE 6 HG11 ILE 6 96.084 -20.525 9.309 38 HG21 ILE 6 HG21 ILE 6 98.226 -20.446 7.866 39 HG22 ILE 6 HG22 ILE 6 98.390 -22.107 7.294 40 HG23 ILE 6 HG23 ILE 6 99.582 -21.435 8.407 41 HD11 ILE 6 HD11 ILE 6 95.747 -20.941 7.098 42 HD12 ILE 6 HD12 ILE 6 94.771 -22.286 7.680 43 HD13 ILE 6 HD13 ILE 6 96.436 -22.561 7.183 44 H ARG 7 HN ARG 7 97.368 -22.128 11.649 45 HA ARG 7 HA ARG 7 97.592 -24.409 13.463 46 HB2 ARG 7 HB2 ARG 7 99.377 -23.207 14.821 47 HB3 ARG 7 HB1 ARG 7 99.907 -23.947 13.317 48 HG2 ARG 7 HG2 ARG 7 99.014 -21.125 13.022 49 HG3 ARG 7 HG1 ARG 7 100.443 -21.340 14.025 50 HD2 ARG 7 HD2 ARG 7 101.660 -22.367 12.269 51 HD3 ARG 7 HD1 ARG 7 100.207 -22.621 11.311 52 HE ARG 7 HE ARG 7 100.363 -20.385 10.558 53 HH11 ARG 7 HH11 ARG 7 101.417 -18.392 10.433 54 HH12 ARG 7 HH12 ARG 7 102.643 -18.001 11.592 55 HH21 ARG 7 HH21 ARG 7 102.364 -21.008 13.295 56 HH22 ARG 7 HH22 ARG 7 103.180 -19.483 13.213 57 H MET 8 HN MET 8 98.398 -21.252 14.686 58 HA MET 8 HA MET 8 95.559 -20.660 15.282 59 HB2 MET 8 HB2 MET 8 96.882 -20.325 17.795 60 HB3 MET 8 HB1 MET 8 95.611 -21.458 17.388 61 HG2 MET 8 HG2 MET 8 97.187 -23.132 16.685 62 HG3 MET 8 HG1 MET 8 98.541 -22.033 16.824 63 HE1 MET 8 HE1 MET 8 96.748 -24.815 18.308 64 HE2 MET 8 HE2 MET 8 95.544 -23.618 18.776 65 HE3 MET 8 HE3 MET 8 96.458 -24.469 20.018 66 HA PRO 9 HA PRO 9 98.237 -16.680 16.597 67 HB2 PRO 9 HB2 PRO 9 100.568 -17.557 14.894 68 HB3 PRO 9 HB1 PRO 9 100.553 -16.434 16.274 69 HG2 PRO 9 HG2 PRO 9 101.375 -18.910 16.606 70 HG3 PRO 9 HG1 PRO 9 100.325 -18.142 17.811 71 HD2 PRO 9 HD2 PRO 9 99.635 -20.251 15.817 72 HD3 PRO 9 HD1 PRO 9 98.977 -19.954 17.421 73 H ASP 10 HN ASP 10 98.441 -18.535 13.688 74 HA ASP 10 HA ASP 10 97.489 -16.209 12.036 75 HB2 ASP 10 HB2 ASP 10 99.806 -17.244 11.522 76 HB3 ASP 10 HB1 ASP 10 98.910 -18.647 10.946 77 H GLY 11 HN GLY 11 97.052 -19.473 13.062 78 HA2 GLY 11 HA2 GLY 11 94.850 -19.976 11.150 79 HA3 GLY 11 HA1 GLY 11 95.491 -21.120 12.323 80 H CYS 12 HN CYS 12 94.992 -18.040 13.616 81 HA CYS 12 HA CYS 12 92.186 -18.351 14.323 82 HB2 CYS 12 HB2 CYS 12 93.009 -20.006 15.857 83 HB3 CYS 12 HB1 CYS 12 94.344 -18.965 16.350 84 HG CYS 12 HG CYS 12 91.714 -17.594 16.921 85 H TYR 13 HN TYR 13 95.034 -17.011 16.004 86 HA TYR 13 HA TYR 13 95.682 -14.778 16.332 87 HB2 TYR 13 HB2 TYR 13 94.396 -14.465 14.001 88 HB3 TYR 13 HB1 TYR 13 93.183 -13.704 15.028 89 HD1 TYR 13 HD1 TYR 13 93.922 -11.822 16.597 90 HD2 TYR 13 HD2 TYR 13 96.370 -13.301 13.391 91 HE1 TYR 13 HE1 TYR 13 95.273 -9.743 16.669 92 HE2 TYR 13 HE2 TYR 13 97.721 -11.224 13.465 93 HH TYR 13 HH TYR 13 97.934 -9.203 14.358 94 H ALA 14 HN ALA 14 92.223 -15.468 16.524 95 HA ALA 14 HA ALA 14 91.776 -15.566 19.199 96 HB1 ALA 14 HB1 ALA 14 91.023 -13.009 19.549 97 HB2 ALA 14 HB2 ALA 14 92.308 -12.739 18.370 98 HB3 ALA 14 HB3 ALA 14 92.670 -13.536 19.898 99 H ASP 15 HN ASP 15 90.742 -13.949 16.265 100 HA ASP 15 HA ASP 15 88.201 -15.327 16.338 101 HB2 ASP 15 HB2 ASP 15 87.929 -13.383 17.976 102 HB3 ASP 15 HB1 ASP 15 88.050 -12.322 16.572 103 H GLY 16 HN GLY 16 90.660 -13.929 14.682 104 HA2 GLY 16 HA2 GLY 16 90.943 -13.768 12.337 105 HA3 GLY 16 HA1 GLY 16 89.217 -14.075 12.143 106 H THR 17 HN THR 17 90.436 -11.580 14.289 107 HA THR 17 HA THR 17 89.012 -9.567 12.628 108 HB THR 17 HB THR 17 88.375 -9.261 14.867 109 HG1 THR 17 HG1 THR 17 89.321 -7.359 15.425 110 HG21 THR 17 HG21 THR 17 90.125 -9.253 16.708 111 HG22 THR 17 HG22 THR 17 91.251 -9.901 15.515 112 HG23 THR 17 HG23 THR 17 89.816 -10.821 15.965 113 H TRP 18 HN TRP 18 90.111 -8.266 11.366 114 HA TRP 18 HA TRP 18 92.961 -7.598 11.962 115 HB2 TRP 18 HB2 TRP 18 92.829 -7.414 9.214 116 HB3 TRP 18 HB1 TRP 18 93.482 -8.793 10.082 117 HD1 TRP 18 HD1 TRP 18 89.902 -7.661 9.094 118 HE1 TRP 18 HE1 TRP 18 88.662 -9.719 8.162 119 HE3 TRP 18 HE3 TRP 18 93.569 -11.182 9.549 120 HZ2 TRP 18 HZ2 TRP 18 89.159 -12.494 7.675 121 HZ3 TRP 18 HZ3 TRP 18 93.162 -13.521 8.843 122 HH2 TRP 18 HH2 TRP 18 90.963 -14.182 7.908 123 H GLU 19 HN GLU 19 93.097 -5.436 12.266 124 HA GLU 19 HA GLU 19 90.859 -3.727 11.556 125 HB2 GLU 19 HB2 GLU 19 92.963 -1.985 12.210 126 HB3 GLU 19 HB1 GLU 19 91.735 -2.583 13.319 127 HG2 GLU 19 HG2 GLU 19 94.035 -2.963 14.145 128 HG3 GLU 19 HG1 GLU 19 93.133 -4.462 13.920 129 H LEU 20 HN LEU 20 90.569 -2.642 9.704 130 HA LEU 20 HA LEU 20 92.634 -2.843 7.625 131 HB2 LEU 20 HB2 LEU 20 89.794 -2.632 7.665 132 HB3 LEU 20 HB1 LEU 20 90.357 -1.148 6.912 133 HG LEU 20 HG LEU 20 90.005 -2.790 5.182 134 HD11 LEU 20 HD11 LEU 20 92.247 -1.333 5.351 135 HD12 LEU 20 HD12 LEU 20 91.947 -2.459 4.028 136 HD13 LEU 20 HD13 LEU 20 92.983 -2.939 5.367 137 HD21 LEU 20 HD21 LEU 20 90.408 -4.739 6.925 138 HD22 LEU 20 HD22 LEU 20 92.069 -4.650 6.345 139 HD23 LEU 20 HD23 LEU 20 90.762 -5.000 5.221 140 H SER 21 HN SER 21 93.968 -1.172 7.040 141 HA SER 21 HA SER 21 94.061 1.146 8.813 142 HB2 SER 21 HB2 SER 21 96.009 -0.147 7.531 143 HB3 SER 21 HB1 SER 21 95.643 1.032 6.273 144 HG SER 21 HG SER 21 96.233 2.639 7.595 145 H VAL 22 HN VAL 22 93.595 3.265 8.263 146 HA VAL 22 HA VAL 22 92.398 3.739 5.583 147 HB VAL 22 HB VAL 22 91.057 4.233 8.240 148 HG11 VAL 22 HG11 VAL 22 89.333 5.485 6.850 149 HG12 VAL 22 HG12 VAL 22 90.542 5.571 5.567 150 HG13 VAL 22 HG13 VAL 22 90.842 6.351 7.121 151 HG21 VAL 22 HG21 VAL 22 90.176 3.020 5.604 152 HG22 VAL 22 HG22 VAL 22 89.186 3.126 7.064 153 HG23 VAL 22 HG23 VAL 22 90.630 2.110 7.049 154 H HIS 23 HN HIS 23 93.849 5.111 4.795 155 HA HIS 23 HA HIS 23 95.104 7.202 6.416 156 HB2 HIS 23 HB2 HIS 23 95.187 6.288 3.561 157 HB3 HIS 23 HB1 HIS 23 95.829 7.882 3.958 158 HD1 HIS 23 HD1 HIS 23 98.300 7.711 4.217 159 HD2 HIS 23 HD2 HIS 23 96.373 4.364 5.787 160 HE1 HIS 23 HE1 HIS 23 100.109 6.243 5.211 161 H VAL 24 HN VAL 24 93.615 8.802 7.066 162 HA VAL 24 HA VAL 24 91.462 9.544 5.254 163 HB VAL 24 HB VAL 24 92.404 11.222 7.584 164 HG11 VAL 24 HG11 VAL 24 90.670 12.239 6.274 165 HG12 VAL 24 HG12 VAL 24 89.879 11.575 7.706 166 HG13 VAL 24 HG13 VAL 24 89.778 10.733 6.166 167 HG21 VAL 24 HG21 VAL 24 90.688 9.797 8.886 168 HG22 VAL 24 HG22 VAL 24 92.263 9.068 8.575 169 HG23 VAL 24 HG23 VAL 24 90.875 8.617 7.592 170 H THR 25 HN THR 25 91.738 10.784 3.504 171 HA THR 25 HA THR 25 94.188 12.395 3.235 172 HB THR 25 HB THR 25 93.708 12.450 0.960 173 HG1 THR 25 HG1 THR 25 91.073 12.608 1.866 174 HG21 THR 25 HG21 THR 25 91.999 10.107 1.835 175 HG22 THR 25 HG22 THR 25 93.759 10.076 1.781 176 HG23 THR 25 HG23 THR 25 92.836 10.286 0.294 177 H ASP 26 HN ASP 26 90.810 12.882 3.974 178 HA ASP 26 HA ASP 26 90.868 15.760 3.460 179 HB2 ASP 26 HB2 ASP 26 88.778 14.290 3.444 180 HB3 ASP 26 HB1 ASP 26 88.901 14.253 5.204 181 H LEU 27 HN LEU 27 92.143 13.749 5.808 182 HA LEU 27 HA LEU 27 92.416 16.021 7.753 183 HB2 LEU 27 HB2 LEU 27 91.431 13.255 8.160 184 HB3 LEU 27 HB1 LEU 27 92.604 13.766 9.347 185 HG LEU 27 HG LEU 27 90.272 15.551 8.647 186 HD11 LEU 27 HD11 LEU 27 90.295 13.154 10.492 187 HD12 LEU 27 HD12 LEU 27 89.151 13.515 9.200 188 HD13 LEU 27 HD13 LEU 27 89.142 14.477 10.679 189 HD21 LEU 27 HD21 LEU 27 91.724 15.111 11.265 190 HD22 LEU 27 HD22 LEU 27 90.678 16.462 10.827 191 HD23 LEU 27 HD23 LEU 27 92.260 16.285 10.063 192 H ASN 28 HN ASN 28 93.789 13.373 6.020 193 HA ASN 28 HA ASN 28 96.026 12.865 5.549 194 HB2 ASN 28 HB2 ASN 28 96.364 15.408 5.948 195 HB3 ASN 28 HB1 ASN 28 96.948 14.944 7.540 196 HD21 ASN 28 HD21 ASN 28 97.873 12.316 6.202 197 HD22 ASN 28 HD22 ASN 28 99.359 12.734 5.504 198 H ARG 29 HN ARG 29 94.352 12.174 8.144 199 HA ARG 29 HA ARG 29 96.568 11.223 9.848 200 HB2 ARG 29 HB2 ARG 29 93.565 11.119 10.160 201 HB3 ARG 29 HB1 ARG 29 94.717 10.504 11.347 202 HG2 ARG 29 HG2 ARG 29 95.679 12.718 11.623 203 HG3 ARG 29 HG1 ARG 29 94.638 13.362 10.362 204 HD2 ARG 29 HD2 ARG 29 93.481 13.939 12.329 205 HD3 ARG 29 HD1 ARG 29 92.684 12.447 11.823 206 HE ARG 29 HE ARG 29 94.896 11.890 13.599 207 HH11 ARG 29 HH11 ARG 29 94.362 11.195 15.683 208 HH12 ARG 29 HH12 ARG 29 92.761 11.465 16.287 209 HH21 ARG 29 HH21 ARG 29 91.650 13.035 13.402 210 HH22 ARG 29 HH22 ARG 29 91.226 12.507 14.996 211 H ASP 30 HN ASP 30 95.884 8.965 10.800 212 HA ASP 30 HA ASP 30 95.027 7.114 8.650 213 HB2 ASP 30 HB2 ASP 30 97.536 6.844 10.324 214 HB3 ASP 30 HB1 ASP 30 96.843 5.547 9.350 215 H VAL 31 HN VAL 31 93.311 6.148 9.453 216 HA VAL 31 HA VAL 31 93.276 5.461 12.386 217 HB VAL 31 HB VAL 31 90.920 5.773 10.525 218 HG11 VAL 31 HG11 VAL 31 90.463 4.407 12.479 219 HG12 VAL 31 HG12 VAL 31 89.717 5.989 12.719 220 HG13 VAL 31 HG13 VAL 31 91.233 5.594 13.532 221 HG21 VAL 31 HG21 VAL 31 92.085 7.768 12.503 222 HG22 VAL 31 HG22 VAL 31 90.603 7.991 11.575 223 HG23 VAL 31 HG23 VAL 31 92.159 7.919 10.747 224 H THR 32 HN THR 32 92.285 3.434 12.938 225 HA THR 32 HA THR 32 92.251 1.411 10.731 226 HB THR 32 HB THR 32 93.073 0.144 13.184 227 HG1 THR 32 HG1 THR 32 95.159 1.675 12.904 228 HG21 THR 32 HG21 THR 32 94.934 -0.588 11.934 229 HG22 THR 32 HG22 THR 32 94.945 0.864 10.932 230 HG23 THR 32 HG23 THR 32 93.688 -0.353 10.710 231 H LEU 33 HN LEU 33 90.516 0.051 10.792 232 HA LEU 33 HA LEU 33 88.607 0.316 13.084 233 HB2 LEU 33 HB2 LEU 33 88.285 0.121 10.111 234 HB3 LEU 33 HB1 LEU 33 87.020 -0.549 11.119 235 HG LEU 33 HG LEU 33 86.723 1.877 10.365 236 HD11 LEU 33 HD11 LEU 33 85.598 0.725 12.376 237 HD12 LEU 33 HD12 LEU 33 85.606 2.486 12.344 238 HD13 LEU 33 HD13 LEU 33 86.744 1.622 13.369 239 HD21 LEU 33 HD21 LEU 33 88.657 2.525 12.588 240 HD22 LEU 33 HD22 LEU 33 87.988 3.586 11.366 241 HD23 LEU 33 HD23 LEU 33 89.195 2.390 10.915 242 H ARG 34 HN ARG 34 88.706 -1.460 14.302 243 HA ARG 34 HA ARG 34 89.753 -3.997 13.552 244 HB2 ARG 34 HB2 ARG 34 89.338 -3.128 15.917 245 HB3 ARG 34 HB1 ARG 34 87.636 -3.487 15.658 246 HG2 ARG 34 HG2 ARG 34 88.429 -5.440 16.707 247 HG3 ARG 34 HG1 ARG 34 88.429 -5.863 14.998 248 HD2 ARG 34 HD2 ARG 34 90.770 -5.683 14.826 249 HD3 ARG 34 HD1 ARG 34 90.899 -4.720 16.282 250 HE ARG 34 HE ARG 34 90.705 -7.636 16.183 251 HH11 ARG 34 HH11 ARG 34 90.967 -8.670 18.176 252 HH12 ARG 34 HH12 ARG 34 90.915 -7.737 19.634 253 HH21 ARG 34 HH21 ARG 34 90.388 -4.723 18.007 254 HH22 ARG 34 HH22 ARG 34 90.589 -5.507 19.538 255 H VAL 35 HN VAL 35 88.856 -5.001 11.788 256 HA VAL 35 HA VAL 35 85.905 -5.527 11.834 257 HB VAL 35 HB VAL 35 85.982 -5.333 9.337 258 HG11 VAL 35 HG11 VAL 35 85.053 -3.481 10.527 259 HG12 VAL 35 HG12 VAL 35 86.193 -2.781 9.377 260 HG13 VAL 35 HG13 VAL 35 86.645 -2.949 11.076 261 HG21 VAL 35 HG21 VAL 35 88.369 -5.635 8.988 262 HG22 VAL 35 HG22 VAL 35 88.726 -4.195 9.937 263 HG23 VAL 35 HG23 VAL 35 87.903 -4.045 8.386 264 H THR 36 HN THR 36 85.669 -7.095 9.680 265 HA THR 36 HA THR 36 87.711 -9.249 9.863 266 HB THR 36 HB THR 36 85.779 -10.903 9.937 267 HG1 THR 36 HG1 THR 36 83.894 -9.902 10.999 268 HG21 THR 36 HG21 THR 36 86.398 -9.089 12.262 269 HG22 THR 36 HG22 THR 36 87.081 -10.674 11.904 270 HG23 THR 36 HG23 THR 36 85.405 -10.534 12.431 271 H GLY 37 HN GLY 37 87.115 -10.914 8.041 272 HA2 GLY 37 HA2 GLY 37 86.726 -9.352 5.619 273 HA3 GLY 37 HA1 GLY 37 87.092 -11.069 5.677 274 H GLU 38 HN GLU 38 84.462 -9.191 7.119 275 HA GLU 38 HA GLU 38 82.500 -10.462 5.321 276 HB2 GLU 38 HB2 GLU 38 81.119 -11.160 7.328 277 HB3 GLU 38 HB1 GLU 38 82.578 -12.112 7.059 278 HG2 GLU 38 HG2 GLU 38 83.743 -11.053 8.814 279 HG3 GLU 38 HG1 GLU 38 82.598 -9.713 8.884 280 H VAL 39 HN VAL 39 83.661 -7.756 6.776 281 HA VAL 39 HA VAL 39 81.061 -6.579 7.490 282 HB VAL 39 HB VAL 39 82.275 -4.705 8.249 283 HG11 VAL 39 HG11 VAL 39 83.770 -5.679 9.798 284 HG12 VAL 39 HG12 VAL 39 84.225 -6.958 8.669 285 HG13 VAL 39 HG13 VAL 39 82.628 -6.964 9.415 286 HG21 VAL 39 HG21 VAL 39 84.573 -5.722 6.552 287 HG22 VAL 39 HG22 VAL 39 84.713 -4.400 7.708 288 HG23 VAL 39 HG23 VAL 39 83.667 -4.225 6.311 289 H HIS 40 HN HIS 40 79.909 -5.188 6.206 290 HA HIS 40 HA HIS 40 80.665 -5.038 3.376 291 HB2 HIS 40 HB2 HIS 40 78.387 -3.453 4.543 292 HB3 HIS 40 HB1 HIS 40 78.497 -4.280 2.988 293 HD1 HIS 40 HD1 HIS 40 77.442 -4.759 6.495 294 HD2 HIS 40 HD2 HIS 40 78.211 -7.182 3.191 295 HE1 HIS 40 HE1 HIS 40 76.441 -7.025 7.021 296 H ILE 41 HN ILE 41 81.218 -3.095 2.266 297 HA ILE 41 HA ILE 41 82.957 -1.291 3.497 298 HB ILE 41 HB ILE 41 81.066 -0.671 1.217 299 HG12 ILE 41 HG12 ILE 41 83.943 -1.593 0.994 300 HG13 ILE 41 HG11 ILE 41 82.604 -2.741 1.049 301 HG21 ILE 41 HG21 ILE 41 83.634 0.601 2.185 302 HG22 ILE 41 HG22 ILE 41 82.050 1.363 2.020 303 HG23 ILE 41 HG23 ILE 41 82.960 0.889 0.582 304 HD11 ILE 41 HD11 ILE 41 81.709 -2.013 -0.969 305 HD12 ILE 41 HD12 ILE 41 83.436 -1.864 -1.279 306 HD13 ILE 41 HD13 ILE 41 82.483 -0.434 -0.874 307 H GLY 42 HN GLY 42 79.505 -0.750 2.805 308 HA2 GLY 42 HA2 GLY 42 79.244 1.769 4.016 309 HA3 GLY 42 HA1 GLY 42 77.936 0.595 3.916 310 H GLY 43 HN GLY 43 79.956 -1.242 5.348 311 HA2 GLY 43 HA2 GLY 43 78.943 -0.692 8.040 312 HA3 GLY 43 HA1 GLY 43 79.948 -2.061 7.557 313 H VAL 44 HN VAL 44 81.908 -0.264 6.230 314 HA VAL 44 HA VAL 44 83.530 0.291 8.610 315 HB VAL 44 HB VAL 44 83.945 0.251 5.631 316 HG11 VAL 44 HG11 VAL 44 85.658 1.837 7.563 317 HG12 VAL 44 HG12 VAL 44 84.946 2.388 6.047 318 HG13 VAL 44 HG13 VAL 44 86.276 1.231 6.026 319 HG21 VAL 44 HG21 VAL 44 85.739 -1.219 6.187 320 HG22 VAL 44 HG22 VAL 44 84.410 -1.658 7.261 321 HG23 VAL 44 HG23 VAL 44 85.750 -0.683 7.868 322 H MET 45 HN MET 45 82.348 2.356 5.863 323 HA MET 45 HA MET 45 83.217 4.804 6.919 324 HB2 MET 45 HB2 MET 45 81.020 5.728 5.813 325 HB3 MET 45 HB1 MET 45 82.276 5.035 4.801 326 HG2 MET 45 HG2 MET 45 80.844 3.466 4.028 327 HG3 MET 45 HG1 MET 45 80.497 2.900 5.645 328 HE1 MET 45 HE1 MET 45 77.940 4.966 2.779 329 HE2 MET 45 HE2 MET 45 77.664 3.294 3.253 330 HE3 MET 45 HE3 MET 45 79.249 3.786 2.667 331 H LEU 46 HN LEU 46 80.371 2.893 7.810 332 HA LEU 46 HA LEU 46 79.106 4.793 9.509 333 HB2 LEU 46 HB2 LEU 46 78.214 2.498 8.871 334 HB3 LEU 46 HB1 LEU 46 79.323 1.821 10.061 335 HG LEU 46 HG LEU 46 78.167 3.675 11.647 336 HD11 LEU 46 HD11 LEU 46 76.736 4.564 9.845 337 HD12 LEU 46 HD12 LEU 46 75.770 3.861 11.142 338 HD13 LEU 46 HD13 LEU 46 76.008 2.967 9.639 339 HD21 LEU 46 HD21 LEU 46 76.961 0.989 10.920 340 HD22 LEU 46 HD22 LEU 46 76.544 1.917 12.362 341 HD23 LEU 46 HD23 LEU 46 78.181 1.295 12.156 342 H LYS 47 HN LYS 47 81.185 2.094 10.616 343 HA LYS 47 HA LYS 47 81.583 2.941 13.245 344 HB2 LYS 47 HB2 LYS 47 83.640 1.593 11.484 345 HB3 LYS 47 HB1 LYS 47 83.608 1.576 13.249 346 HG2 LYS 47 HG2 LYS 47 81.378 0.461 13.149 347 HG3 LYS 47 HG1 LYS 47 81.535 0.405 11.395 348 HD2 LYS 47 HD2 LYS 47 83.735 -0.826 11.746 349 HD3 LYS 47 HD1 LYS 47 83.275 -0.980 13.442 350 HE2 LYS 47 HE2 LYS 47 81.539 -1.923 11.143 351 HE3 LYS 47 HE1 LYS 47 82.653 -2.970 12.022 352 HZ1 LYS 47 HZ1 LYS 47 80.498 -1.391 13.312 353 HZ2 LYS 47 HZ2 LYS 47 81.478 -2.574 14.037 354 HZ3 LYS 47 HZ3 LYS 47 80.336 -3.018 12.861 355 H LEU 48 HN LEU 48 83.942 3.523 10.602 356 HA LEU 48 HA LEU 48 85.728 5.104 11.987 357 HB2 LEU 48 HB2 LEU 48 86.046 4.444 9.634 358 HB3 LEU 48 HB1 LEU 48 84.768 5.546 9.141 359 HG LEU 48 HG LEU 48 86.203 7.428 10.162 360 HD11 LEU 48 HD11 LEU 48 88.578 6.999 10.407 361 HD12 LEU 48 HD12 LEU 48 88.363 5.320 9.931 362 HD13 LEU 48 HD13 LEU 48 87.709 5.894 11.461 363 HD21 LEU 48 HD21 LEU 48 87.940 7.047 8.099 364 HD22 LEU 48 HD22 LEU 48 86.281 7.579 7.875 365 HD23 LEU 48 HD23 LEU 48 86.693 5.878 7.655 366 H VAL 49 HN VAL 49 82.722 6.268 10.462 367 HA VAL 49 HA VAL 49 83.077 9.001 11.314 368 HB VAL 49 HB VAL 49 80.694 7.380 10.416 369 HG11 VAL 49 HG11 VAL 49 79.653 8.845 11.966 370 HG12 VAL 49 HG12 VAL 49 79.480 9.657 10.411 371 HG13 VAL 49 HG13 VAL 49 80.727 10.178 11.546 372 HG21 VAL 49 HG21 VAL 49 80.734 9.111 8.577 373 HG22 VAL 49 HG22 VAL 49 82.189 8.116 8.652 374 HG23 VAL 49 HG23 VAL 49 82.210 9.761 9.292 375 H GLU 50 HN GLU 50 81.187 6.279 12.674 376 HA GLU 50 HA GLU 50 80.001 7.486 14.868 377 HB2 GLU 50 HB2 GLU 50 81.338 4.780 14.668 378 HB3 GLU 50 HB1 GLU 50 80.435 5.285 16.092 379 HG2 GLU 50 HG2 GLU 50 79.271 5.322 13.298 380 HG3 GLU 50 HG1 GLU 50 79.090 3.962 14.405 381 H LYS 51 HN LYS 51 83.388 6.474 14.582 382 HA LYS 51 HA LYS 51 84.108 7.146 17.284 383 HB2 LYS 51 HB2 LYS 51 85.794 7.043 14.763 384 HB3 LYS 51 HB1 LYS 51 86.426 7.105 16.407 385 HG2 LYS 51 HG2 LYS 51 85.413 4.981 16.953 386 HG3 LYS 51 HG1 LYS 51 84.560 4.939 15.410 387 HD2 LYS 51 HD2 LYS 51 86.542 4.579 14.181 388 HD3 LYS 51 HD1 LYS 51 87.569 5.106 15.512 389 HE2 LYS 51 HE2 LYS 51 86.810 3.116 16.827 390 HE3 LYS 51 HE1 LYS 51 85.914 2.569 15.410 391 HZ1 LYS 51 HZ1 LYS 51 88.276 2.974 14.314 392 HZ2 LYS 51 HZ2 LYS 51 87.847 1.494 15.029 393 HZ3 LYS 51 HZ3 LYS 51 88.787 2.617 15.891 394 H LEU 52 HN LEU 52 83.844 8.958 14.298 395 HA LEU 52 HA LEU 52 85.202 11.317 15.172 396 HB2 LEU 52 HB2 LEU 52 84.229 10.394 12.800 397 HB3 LEU 52 HB1 LEU 52 82.957 11.531 13.214 398 HG LEU 52 HG LEU 52 84.826 13.232 13.628 399 HD11 LEU 52 HD11 LEU 52 86.820 11.975 13.717 400 HD12 LEU 52 HD12 LEU 52 86.868 12.670 12.102 401 HD13 LEU 52 HD13 LEU 52 86.374 10.994 12.325 402 HD21 LEU 52 HD21 LEU 52 85.050 13.655 11.142 403 HD22 LEU 52 HD22 LEU 52 83.395 13.403 11.692 404 HD23 LEU 52 HD23 LEU 52 84.259 12.103 10.876 405 H ASP 53 HN ASP 53 81.732 10.869 14.634 406 HA ASP 53 HA ASP 53 79.867 11.655 15.777 407 HB2 ASP 53 HB2 ASP 53 81.268 10.564 17.647 408 HB3 ASP 53 HB1 ASP 53 81.645 12.206 18.135 409 H VAL 54 HN VAL 54 80.111 13.448 14.251 410 HA VAL 54 HA VAL 54 79.913 15.993 15.580 411 HB VAL 54 HB VAL 54 82.300 15.858 15.716 412 HG11 VAL 54 HG11 VAL 54 83.639 15.446 13.618 413 HG12 VAL 54 HG12 VAL 54 82.124 15.010 12.824 414 HG13 VAL 54 HG13 VAL 54 82.707 14.059 14.192 415 HG21 VAL 54 HG21 VAL 54 82.967 17.792 14.455 416 HG22 VAL 54 HG22 VAL 54 81.257 18.015 14.821 417 HG23 VAL 54 HG23 VAL 54 81.752 17.482 13.215 418 H LYS 55 HN LYS 55 79.185 17.652 14.112 419 HA LYS 55 HA LYS 55 77.837 16.634 11.752 420 HB2 LYS 55 HB2 LYS 55 78.143 19.312 13.085 421 HB3 LYS 55 HB1 LYS 55 77.617 19.296 11.407 422 HG2 LYS 55 HG2 LYS 55 75.887 17.456 12.359 423 HG3 LYS 55 HG1 LYS 55 76.177 18.319 13.857 424 HD2 LYS 55 HD2 LYS 55 75.532 20.429 12.804 425 HD3 LYS 55 HD1 LYS 55 75.318 19.605 11.258 426 HE2 LYS 55 HE2 LYS 55 73.133 19.778 12.210 427 HE3 LYS 55 HE1 LYS 55 73.637 18.104 12.436 428 HZ1 LYS 55 HZ1 LYS 55 72.661 19.459 14.412 429 HZ2 LYS 55 HZ2 LYS 55 74.243 20.065 14.531 430 HZ3 LYS 55 HZ3 LYS 55 73.958 18.396 14.665 431 H LYS 56 HN LYS 56 80.664 16.172 11.694 432 HA LYS 56 HA LYS 56 81.884 18.131 9.914 433 HB2 LYS 56 HB2 LYS 56 83.145 16.656 11.534 434 HB3 LYS 56 HB1 LYS 56 82.777 15.288 10.486 435 HG2 LYS 56 HG2 LYS 56 84.306 15.937 8.878 436 HG3 LYS 56 HG1 LYS 56 83.999 17.654 9.120 437 HD2 LYS 56 HD2 LYS 56 85.347 17.670 11.143 438 HD3 LYS 56 HD1 LYS 56 85.555 15.923 11.066 439 HE2 LYS 56 HE2 LYS 56 87.475 17.415 10.163 440 HE3 LYS 56 HE1 LYS 56 86.958 16.052 9.172 441 HZ1 LYS 56 HZ1 LYS 56 87.154 18.532 8.253 442 HZ2 LYS 56 HZ2 LYS 56 85.533 18.550 8.760 443 HZ3 LYS 56 HZ3 LYS 56 86.058 17.398 7.627 444 H ASP 57 HN ASP 57 82.942 16.997 7.808 445 HA ASP 57 HA ASP 57 80.800 16.567 5.998 446 HB2 ASP 57 HB2 ASP 57 83.525 15.467 5.369 447 HB3 ASP 57 HB1 ASP 57 82.435 16.413 4.356 448 H TRP 58 HN TRP 58 79.450 14.872 6.745 449 HA TRP 58 HA TRP 58 80.599 12.176 7.108 450 HB2 TRP 58 HB2 TRP 58 77.893 13.436 7.540 451 HB3 TRP 58 HB1 TRP 58 78.059 11.683 7.494 452 HD1 TRP 58 HD1 TRP 58 80.898 13.729 8.940 453 HE1 TRP 58 HE1 TRP 58 81.022 13.313 11.484 454 HE3 TRP 58 HE3 TRP 58 76.575 11.099 9.596 455 HZ2 TRP 58 HZ2 TRP 58 79.471 12.014 13.518 456 HZ3 TRP 58 HZ3 TRP 58 75.920 10.286 11.843 457 HH2 TRP 58 HH2 TRP 58 77.363 10.743 13.806 458 H SER 59 HN SER 59 78.522 13.958 4.844 459 HA SER 59 HA SER 59 77.885 11.610 3.244 460 HB2 SER 59 HB2 SER 59 76.651 13.915 3.354 461 HB3 SER 59 HB1 SER 59 77.843 14.433 2.172 462 HG SER 59 HG SER 59 76.539 13.510 0.805 463 H ASP 60 HN ASP 60 80.344 14.097 3.223 464 HA ASP 60 HA ASP 60 81.525 13.425 0.665 465 HB2 ASP 60 HB2 ASP 60 81.718 15.555 2.220 466 HB3 ASP 60 HB1 ASP 60 83.028 14.644 2.964 467 H HIS 61 HN HIS 61 81.085 11.365 2.907 468 HA HIS 61 HA HIS 61 83.850 10.339 3.262 469 HB2 HIS 61 HB2 HIS 61 82.411 10.700 5.274 470 HB3 HIS 61 HB1 HIS 61 81.283 9.512 4.630 471 HD1 HIS 61 HD1 HIS 61 83.168 7.323 3.672 472 HD2 HIS 61 HD2 HIS 61 83.654 9.309 7.301 473 HE1 HIS 61 HE1 HIS 61 84.481 5.767 5.180 474 H ALA 62 HN ALA 62 84.529 8.593 2.269 475 HA ALA 62 HA ALA 62 82.892 6.328 1.612 476 HB1 ALA 62 HB1 ALA 62 82.626 6.529 -0.703 477 HB2 ALA 62 HB2 ALA 62 83.917 7.726 -0.852 478 HB3 ALA 62 HB3 ALA 62 82.357 8.188 -0.171 479 H LEU 63 HN LEU 63 84.298 4.544 1.084 480 HA LEU 63 HA LEU 63 87.175 5.170 1.479 481 HB2 LEU 63 HB2 LEU 63 85.874 2.444 1.337 482 HB3 LEU 63 HB1 LEU 63 87.479 2.829 1.932 483 HG LEU 63 HG LEU 63 86.096 2.518 3.841 484 HD11 LEU 63 HD11 LEU 63 87.642 4.576 3.697 485 HD12 LEU 63 HD12 LEU 63 86.453 4.536 4.996 486 HD13 LEU 63 HD13 LEU 63 86.155 5.515 3.560 487 HD21 LEU 63 HD21 LEU 63 83.918 3.220 4.105 488 HD22 LEU 63 HD22 LEU 63 83.939 3.143 2.348 489 HD23 LEU 63 HD23 LEU 63 84.147 4.689 3.164 490 H TRP 64 HN TRP 64 88.748 4.690 0.035 491 HA TRP 64 HA TRP 64 87.929 3.615 -2.658 492 HB2 TRP 64 HB2 TRP 64 88.480 5.615 -3.602 493 HB3 TRP 64 HB1 TRP 64 88.732 6.272 -2.009 494 HD1 TRP 64 HD1 TRP 64 91.439 5.221 -1.096 495 HE1 TRP 64 HE1 TRP 64 93.610 5.697 -2.390 496 HE3 TRP 64 HE3 TRP 64 89.499 6.388 -5.674 497 HZ2 TRP 64 HZ2 TRP 64 94.422 6.515 -5.005 498 HZ3 TRP 64 HZ3 TRP 64 90.994 7.037 -7.541 499 HH2 TRP 64 HH2 TRP 64 93.452 7.103 -7.213 500 H TRP 65 HN TRP 65 89.582 2.352 -3.696 501 HA TRP 65 HA TRP 65 91.701 1.390 -1.807 502 HB2 TRP 65 HB2 TRP 65 89.908 -0.219 -2.710 503 HB3 TRP 65 HB1 TRP 65 90.715 -0.062 -4.267 504 HD1 TRP 65 HD1 TRP 65 93.542 0.209 -2.156 505 HE1 TRP 65 HE1 TRP 65 94.663 -2.048 -1.671 506 HE3 TRP 65 HE3 TRP 65 89.773 -2.957 -3.530 507 HZ2 TRP 65 HZ2 TRP 65 94.054 -4.838 -1.849 508 HZ3 TRP 65 HZ3 TRP 65 90.078 -5.410 -3.361 509 HH2 TRP 65 HH2 TRP 65 92.210 -6.354 -2.522 510 H GLU 66 HN GLU 66 93.336 2.903 -2.372 511 HA GLU 66 HA GLU 66 93.989 3.778 -4.966 512 HB2 GLU 66 HB2 GLU 66 96.310 4.131 -4.037 513 HB3 GLU 66 HB1 GLU 66 95.004 4.852 -3.106 514 HG2 GLU 66 HG2 GLU 66 95.001 2.875 -1.607 515 HG3 GLU 66 HG1 GLU 66 96.344 2.209 -2.526 516 H LYS 67 HN LYS 67 94.632 0.647 -3.525 517 HA LYS 67 HA LYS 67 96.773 -0.026 -5.364 518 HB2 LYS 67 HB2 LYS 67 94.819 -1.989 -4.138 519 HB3 LYS 67 HB1 LYS 67 96.458 -2.316 -4.688 520 HG2 LYS 67 HG2 LYS 67 95.704 -0.543 -2.351 521 HG3 LYS 67 HG1 LYS 67 96.361 -2.171 -2.234 522 HD2 LYS 67 HD2 LYS 67 98.336 -1.267 -3.628 523 HD3 LYS 67 HD1 LYS 67 97.712 0.333 -3.227 524 HE2 LYS 67 HE2 LYS 67 99.155 0.026 -1.432 525 HE3 LYS 67 HE1 LYS 67 97.693 -0.693 -0.751 526 HZ1 LYS 67 HZ1 LYS 67 98.650 -2.803 -1.969 527 HZ2 LYS 67 HZ2 LYS 67 99.156 -2.375 -0.404 528 HZ3 LYS 67 HZ3 LYS 67 100.121 -1.987 -1.748 529 H LYS 68 HN LYS 68 93.548 0.636 -5.645 530 HA LYS 68 HA LYS 68 93.339 -0.628 -8.337 531 HB2 LYS 68 HB2 LYS 68 90.903 -0.288 -6.595 532 HB3 LYS 68 HB1 LYS 68 91.179 -1.426 -7.910 533 HG2 LYS 68 HG2 LYS 68 92.705 -1.604 -5.291 534 HG3 LYS 68 HG1 LYS 68 91.157 -2.384 -5.535 535 HD2 LYS 68 HD2 LYS 68 91.983 -3.765 -7.278 536 HD3 LYS 68 HD1 LYS 68 93.439 -2.788 -7.460 537 HE2 LYS 68 HE2 LYS 68 94.462 -3.725 -5.607 538 HE3 LYS 68 HE1 LYS 68 92.940 -4.053 -4.784 539 HZ1 LYS 68 HZ1 LYS 68 92.872 -6.075 -5.652 540 HZ2 LYS 68 HZ2 LYS 68 94.457 -5.837 -6.216 541 HZ3 LYS 68 HZ3 LYS 68 93.133 -5.497 -7.225 542 H ARG 69 HN ARG 69 93.120 2.140 -6.349 543 HA ARG 69 HA ARG 69 92.331 4.312 -6.746 544 HB2 ARG 69 HB2 ARG 69 92.905 3.359 -9.572 545 HB3 ARG 69 HB1 ARG 69 92.366 4.994 -9.218 546 HG2 ARG 69 HG2 ARG 69 94.678 5.293 -9.211 547 HG3 ARG 69 HG1 ARG 69 94.389 4.981 -7.503 548 HD2 ARG 69 HD2 ARG 69 96.216 3.578 -8.109 549 HD3 ARG 69 HD1 ARG 69 94.810 2.522 -8.032 550 HE ARG 69 HE ARG 69 94.902 3.321 -10.686 551 HH11 ARG 69 HH11 ARG 69 96.025 2.145 -12.258 552 HH12 ARG 69 HH12 ARG 69 97.340 1.123 -11.781 553 HH21 ARG 69 HH21 ARG 69 97.048 1.871 -8.409 554 HH22 ARG 69 HH22 ARG 69 97.917 0.966 -9.603 555 H THR 70 HN THR 70 90.396 2.468 -6.189 556 HA THR 70 HA THR 70 88.198 3.018 -8.163 557 HB THR 70 HB THR 70 88.930 0.626 -7.571 558 HG1 THR 70 HG1 THR 70 86.515 1.741 -7.871 559 HG21 THR 70 HG21 THR 70 87.251 0.972 -5.114 560 HG22 THR 70 HG22 THR 70 88.984 1.293 -5.046 561 HG23 THR 70 HG23 THR 70 88.401 -0.308 -5.503 562 H TRP 71 HN TRP 71 86.034 2.640 -6.725 563 HA TRP 71 HA TRP 71 86.203 4.360 -4.298 564 HB2 TRP 71 HB2 TRP 71 83.834 5.150 -5.057 565 HB3 TRP 71 HB1 TRP 71 85.244 5.910 -5.770 566 HD1 TRP 71 HD1 TRP 71 84.395 2.430 -7.028 567 HE1 TRP 71 HE1 TRP 71 83.420 2.602 -9.365 568 HE3 TRP 71 HE3 TRP 71 83.833 7.494 -7.386 569 HZ2 TRP 71 HZ2 TRP 71 82.531 4.603 -11.211 570 HZ3 TRP 71 HZ3 TRP 71 82.922 8.505 -9.458 571 HH2 TRP 71 HH2 TRP 71 82.270 7.066 -11.370 572 H LEU 72 HN LEU 72 86.009 2.718 -2.897 573 HA LEU 72 HA LEU 72 84.476 0.388 -3.304 574 HB2 LEU 72 HB2 LEU 72 85.198 1.697 -0.687 575 HB3 LEU 72 HB1 LEU 72 84.773 0.006 -0.908 576 HG LEU 72 HG LEU 72 87.068 1.319 -2.375 577 HD11 LEU 72 HD11 LEU 72 88.545 0.232 -0.695 578 HD12 LEU 72 HD12 LEU 72 87.113 -0.171 0.254 579 HD13 LEU 72 HD13 LEU 72 87.550 1.517 -0.012 580 HD21 LEU 72 HD21 LEU 72 86.543 -0.685 -3.480 581 HD22 LEU 72 HD22 LEU 72 86.113 -1.514 -1.984 582 HD23 LEU 72 HD23 LEU 72 87.804 -1.188 -2.356 583 H LEU 73 HN LEU 73 82.517 0.929 -4.087 584 HA LEU 73 HA LEU 73 80.536 2.060 -2.145 585 HB2 LEU 73 HB2 LEU 73 79.231 2.815 -4.174 586 HB3 LEU 73 HB1 LEU 73 80.744 3.673 -3.910 587 HG LEU 73 HG LEU 73 81.643 1.681 -5.557 588 HD11 LEU 73 HD11 LEU 73 79.146 0.938 -5.733 589 HD12 LEU 73 HD12 LEU 73 80.100 1.060 -7.210 590 HD13 LEU 73 HD13 LEU 73 78.966 2.341 -6.780 591 HD21 LEU 73 HD21 LEU 73 80.300 4.237 -6.493 592 HD22 LEU 73 HD22 LEU 73 81.520 3.324 -7.379 593 HD23 LEU 73 HD23 LEU 73 81.941 4.124 -5.868 594 H LYS 74 HN LYS 74 81.569 -0.738 -3.109 595 HA LYS 74 HA LYS 74 79.046 -1.933 -4.091 596 HB2 LYS 74 HB2 LYS 74 81.869 -2.905 -3.701 597 HB3 LYS 74 HB1 LYS 74 80.569 -4.081 -3.799 598 HG2 LYS 74 HG2 LYS 74 81.536 -3.701 -6.021 599 HG3 LYS 74 HG1 LYS 74 79.867 -3.151 -5.971 600 HD2 LYS 74 HD2 LYS 74 81.311 -1.519 -7.128 601 HD3 LYS 74 HD1 LYS 74 80.625 -0.834 -5.661 602 HE2 LYS 74 HE2 LYS 74 83.185 -0.517 -6.155 603 HE3 LYS 74 HE1 LYS 74 82.661 -0.898 -4.518 604 HZ1 LYS 74 HZ1 LYS 74 84.555 -2.254 -5.574 605 HZ2 LYS 74 HZ2 LYS 74 83.313 -3.059 -6.408 606 HZ3 LYS 74 HZ3 LYS 74 83.349 -3.075 -4.710 607 H THR 75 HN THR 75 78.006 -1.216 -1.936 608 HA THR 75 HA THR 75 78.791 -2.401 0.539 609 HB THR 75 HB THR 75 75.911 -1.811 -0.156 610 HG1 THR 75 HG1 THR 75 76.955 -0.055 -0.931 611 HG21 THR 75 HG21 THR 75 75.686 -1.335 2.128 612 HG22 THR 75 HG22 THR 75 77.412 -1.044 2.335 613 HG23 THR 75 HG23 THR 75 76.813 -2.692 2.137 614 H HIS 76 HN HIS 76 77.418 -3.823 -2.246 615 HA HIS 76 HA HIS 76 75.942 -5.936 -0.909 616 HB2 HIS 76 HB2 HIS 76 75.605 -5.150 -3.312 617 HB3 HIS 76 HB1 HIS 76 77.083 -6.026 -3.708 618 HD1 HIS 76 HD1 HIS 76 75.965 -8.120 -1.238 619 HD2 HIS 76 HD2 HIS 76 74.415 -7.302 -5.020 620 HE1 HIS 76 HE1 HIS 76 74.501 -10.093 -1.854 621 H TRP 77 HN TRP 77 79.103 -5.833 -2.566 622 HA TRP 77 HA TRP 77 79.805 -8.521 -1.726 623 HB2 TRP 77 HB2 TRP 77 81.025 -6.310 -3.289 624 HB3 TRP 77 HB1 TRP 77 82.190 -7.301 -2.431 625 HD1 TRP 77 HD1 TRP 77 83.166 -8.503 -4.491 626 HE1 TRP 77 HE1 TRP 77 82.254 -10.251 -6.146 627 HE3 TRP 77 HE3 TRP 77 78.173 -8.293 -3.375 628 HZ2 TRP 77 HZ2 TRP 77 79.758 -11.403 -6.902 629 HZ3 TRP 77 HZ3 TRP 77 76.562 -9.724 -4.582 630 HH2 TRP 77 HH2 TRP 77 77.345 -11.279 -6.345 631 H THR 78 HN THR 78 82.283 -8.391 -0.684 632 HA THR 78 HA THR 78 82.195 -6.560 1.663 633 HB THR 78 HB THR 78 83.153 -9.286 2.332 634 HG1 THR 78 HG1 THR 78 80.736 -8.923 1.049 635 HG21 THR 78 HG21 THR 78 81.226 -7.290 3.523 636 HG22 THR 78 HG22 THR 78 82.711 -7.965 4.205 637 HG23 THR 78 HG23 THR 78 81.257 -8.955 4.087 638 H LEU 79 HN LEU 79 84.457 -7.556 2.909 639 HA LEU 79 HA LEU 79 86.579 -6.468 1.279 640 HB2 LEU 79 HB2 LEU 79 86.529 -8.021 3.859 641 HB3 LEU 79 HB1 LEU 79 88.033 -7.472 3.142 642 HG LEU 79 HG LEU 79 87.359 -5.156 3.361 643 HD11 LEU 79 HD11 LEU 79 85.153 -4.673 4.555 644 HD12 LEU 79 HD12 LEU 79 84.716 -6.345 4.212 645 HD13 LEU 79 HD13 LEU 79 85.018 -5.220 2.885 646 HD21 LEU 79 HD21 LEU 79 86.896 -5.115 5.903 647 HD22 LEU 79 HD22 LEU 79 88.351 -5.960 5.372 648 HD23 LEU 79 HD23 LEU 79 86.912 -6.879 5.817 649 H ASP 80 HN ASP 80 86.042 -9.668 2.681 650 HA ASP 80 HA ASP 80 87.954 -11.192 1.375 651 HB2 ASP 80 HB2 ASP 80 86.325 -11.979 3.083 652 HB3 ASP 80 HB1 ASP 80 85.070 -11.976 1.843 653 H LYS 81 HN LYS 81 84.649 -10.574 0.233 654 HA LYS 81 HA LYS 81 84.642 -11.955 -2.139 655 HB2 LYS 81 HB2 LYS 81 83.613 -9.129 -2.153 656 HB3 LYS 81 HB1 LYS 81 82.917 -10.566 -2.887 657 HG2 LYS 81 HG2 LYS 81 83.029 -9.909 0.056 658 HG3 LYS 81 HG1 LYS 81 81.593 -9.981 -0.961 659 HD2 LYS 81 HD2 LYS 81 82.095 -12.403 -1.380 660 HD3 LYS 81 HD1 LYS 81 83.383 -12.294 -0.185 661 HE2 LYS 81 HE2 LYS 81 81.889 -11.939 1.590 662 HE3 LYS 81 HE1 LYS 81 80.589 -11.413 0.522 663 HZ1 LYS 81 HZ1 LYS 81 79.863 -13.485 0.431 664 HZ2 LYS 81 HZ2 LYS 81 81.104 -13.986 1.478 665 HZ3 LYS 81 HZ3 LYS 81 81.346 -14.011 -0.204 666 H TYR 82 HN TYR 82 85.749 -8.588 -1.808 667 HA TYR 82 HA TYR 82 86.869 -8.613 -4.498 668 HB2 TYR 82 HB2 TYR 82 86.199 -6.628 -2.615 669 HB3 TYR 82 HB1 TYR 82 87.948 -6.511 -2.750 670 HD1 TYR 82 HD1 TYR 82 88.952 -6.421 -5.147 671 HD2 TYR 82 HD2 TYR 82 84.813 -5.673 -4.268 672 HE1 TYR 82 HE1 TYR 82 88.705 -5.236 -7.312 673 HE2 TYR 82 HE2 TYR 82 84.569 -4.491 -6.433 674 HH TYR 82 HH TYR 82 86.749 -4.725 -8.915 675 H GLY 83 HN GLY 83 88.194 -8.949 -1.212 676 HA2 GLY 83 HA2 GLY 83 90.094 -10.613 -1.048 677 HA3 GLY 83 HA1 GLY 83 90.808 -9.804 -2.443 678 H ILE 84 HN ILE 84 89.249 -7.570 -0.502 679 HA ILE 84 HA ILE 84 91.650 -6.212 0.213 680 HB ILE 84 HB ILE 84 88.870 -6.007 1.404 681 HG12 ILE 84 HG12 ILE 84 90.121 -4.103 -0.582 682 HG13 ILE 84 HG11 ILE 84 89.335 -5.576 -1.140 683 HG21 ILE 84 HG21 ILE 84 91.315 -4.227 1.592 684 HG22 ILE 84 HG22 ILE 84 90.426 -4.976 2.918 685 HG23 ILE 84 HG23 ILE 84 89.690 -3.674 1.991 686 HD11 ILE 84 HD11 ILE 84 87.905 -3.403 -0.947 687 HD12 ILE 84 HD12 ILE 84 87.919 -3.738 0.785 688 HD13 ILE 84 HD13 ILE 84 87.227 -4.912 -0.337 689 H GLN 85 HN GLN 85 92.416 -5.831 2.434 690 HA GLN 85 HA GLN 85 91.669 -7.527 4.623 691 HB2 GLN 85 HB2 GLN 85 93.032 -8.993 2.811 692 HB3 GLN 85 HB1 GLN 85 94.406 -8.278 3.645 693 HG2 GLN 85 HG2 GLN 85 94.095 -10.167 4.969 694 HG3 GLN 85 HG1 GLN 85 93.046 -9.035 5.820 695 HE21 GLN 85 HE21 GLN 85 90.854 -8.971 4.037 696 HE22 GLN 85 HE22 GLN 85 90.119 -10.493 4.020 697 H ALA 86 HN ALA 86 94.142 -7.616 5.955 698 HA ALA 86 HA ALA 86 94.406 -4.862 6.792 699 HB1 ALA 86 HB1 ALA 86 95.810 -7.441 7.446 700 HB2 ALA 86 HB2 ALA 86 94.798 -6.444 8.491 701 HB3 ALA 86 HB3 ALA 86 96.426 -5.912 8.075 702 H ASP 87 HN ASP 87 96.094 -6.899 4.517 703 HA ASP 87 HA ASP 87 98.477 -5.241 4.384 704 HB2 ASP 87 HB2 ASP 87 98.867 -6.548 2.248 705 HB3 ASP 87 HB1 ASP 87 98.660 -7.543 3.692 706 H ALA 88 HN ALA 88 95.308 -4.896 3.356 707 HA ALA 88 HA ALA 88 95.982 -3.150 1.040 708 HB1 ALA 88 HB1 ALA 88 93.338 -3.149 1.004 709 HB2 ALA 88 HB2 ALA 88 93.542 -4.539 2.073 710 HB3 ALA 88 HB3 ALA 88 94.223 -4.574 0.454 711 H LYS 89 HN LYS 89 96.382 -1.036 1.648 712 HA LYS 89 HA LYS 89 95.019 0.043 4.060 713 HB2 LYS 89 HB2 LYS 89 96.977 1.606 2.390 714 HB3 LYS 89 HB1 LYS 89 96.620 1.750 4.109 715 HG2 LYS 89 HG2 LYS 89 97.953 -0.676 2.879 716 HG3 LYS 89 HG1 LYS 89 98.827 0.676 3.567 717 HD2 LYS 89 HD2 LYS 89 98.125 0.222 5.754 718 HD3 LYS 89 HD1 LYS 89 96.733 -0.710 5.216 719 HE2 LYS 89 HE2 LYS 89 98.506 -2.177 6.108 720 HE3 LYS 89 HE1 LYS 89 98.186 -2.483 4.401 721 HZ1 LYS 89 HZ1 LYS 89 100.219 -1.814 3.827 722 HZ2 LYS 89 HZ2 LYS 89 100.619 -1.976 5.471 723 HZ3 LYS 89 HZ3 LYS 89 100.174 -0.460 4.847 724 H LEU 90 HN LEU 90 93.161 0.968 3.806 725 HA LEU 90 HA LEU 90 92.387 2.145 1.193 726 HB2 LEU 90 HB2 LEU 90 90.599 1.948 3.605 727 HB3 LEU 90 HB1 LEU 90 90.154 1.975 1.900 728 HG LEU 90 HG LEU 90 91.574 -0.256 3.360 729 HD11 LEU 90 HD11 LEU 90 89.095 -0.019 3.714 730 HD12 LEU 90 HD12 LEU 90 89.558 -1.529 2.931 731 HD13 LEU 90 HD13 LEU 90 88.882 -0.211 1.974 732 HD21 LEU 90 HD21 LEU 90 91.246 -1.441 1.119 733 HD22 LEU 90 HD22 LEU 90 92.491 -0.193 1.150 734 HD23 LEU 90 HD23 LEU 90 90.914 0.151 0.433 735 H GLN 91 HN GLN 91 90.928 4.181 1.550 736 HA GLN 91 HA GLN 91 92.202 6.053 3.503 737 HB2 GLN 91 HB2 GLN 91 91.429 6.798 0.672 738 HB3 GLN 91 HB1 GLN 91 92.313 7.784 1.827 739 HG2 GLN 91 HG2 GLN 91 94.295 6.569 1.550 740 HG3 GLN 91 HG1 GLN 91 93.469 5.141 0.965 741 HE21 GLN 91 HE21 GLN 91 92.248 7.985 -0.406 742 HE22 GLN 91 HE22 GLN 91 93.049 7.880 -1.892 743 H PHE 92 HN PHE 92 90.759 7.900 3.989 744 HA PHE 92 HA PHE 92 87.872 7.259 3.471 745 HB2 PHE 92 HB2 PHE 92 87.935 6.969 5.755 746 HB3 PHE 92 HB1 PHE 92 89.352 7.980 5.941 747 HD1 PHE 92 HD1 PHE 92 86.132 9.070 4.309 748 HD2 PHE 92 HD2 PHE 92 88.647 9.260 7.796 749 HE1 PHE 92 HE1 PHE 92 84.748 10.909 5.243 750 HE2 PHE 92 HE2 PHE 92 87.251 11.084 8.706 751 HZ PHE 92 HZ PHE 92 85.302 11.908 7.427 752 H THR 93 HN THR 93 87.653 8.460 1.702 753 HA THR 93 HA THR 93 87.601 11.405 2.036 754 HB THR 93 HB THR 93 89.617 11.485 0.893 755 HG1 THR 93 HG1 THR 93 88.374 10.646 -1.440 756 HG21 THR 93 HG21 THR 93 90.421 9.639 -0.582 757 HG22 THR 93 HG22 THR 93 88.921 8.770 -0.261 758 HG23 THR 93 HG23 THR 93 90.052 9.091 1.052 759 HA PRO 94 HA PRO 94 83.750 11.291 -0.148 760 HB2 PRO 94 HB2 PRO 94 84.466 12.808 -2.492 761 HB3 PRO 94 HB1 PRO 94 83.675 13.406 -1.024 762 HG2 PRO 94 HG2 PRO 94 86.547 13.486 -1.785 763 HG3 PRO 94 HG1 PRO 94 85.607 14.624 -0.805 764 HD2 PRO 94 HD2 PRO 94 87.357 12.969 0.355 765 HD3 PRO 94 HD1 PRO 94 85.798 13.306 1.136 766 H TYR 541 HT1 TYR 541 57.083 44.330 10.945 767 HA TYR 541 HA TYR 541 55.895 42.874 13.244 768 HB2 TYR 541 HB2 TYR 541 54.153 44.789 12.926 769 HB3 TYR 541 HB1 TYR 541 55.652 45.157 13.780 770 HD1 TYR 541 HD1 TYR 541 53.877 45.456 10.539 771 HD2 TYR 541 HD2 TYR 541 57.310 46.624 12.842 772 HE1 TYR 541 HE1 TYR 541 54.422 47.186 8.848 773 HE2 TYR 541 HE2 TYR 541 57.856 48.354 11.150 774 HH TYR 541 HH TYR 541 57.298 49.268 9.211 775 H HIS 542 HN HIS 542 56.448 42.073 10.385 776 HA HIS 542 HA HIS 542 54.127 42.279 8.786 777 HB2 HIS 542 HB2 HIS 542 55.816 39.780 8.879 778 HB3 HIS 542 HB1 HIS 542 55.059 40.553 7.489 779 HD1 HIS 542 HD1 HIS 542 56.212 43.436 8.795 780 HD2 HIS 542 HD2 HIS 542 58.317 40.136 7.359 781 HE1 HIS 542 HE1 HIS 542 58.527 44.270 8.191 782 H GLU 543 HN GLU 543 53.306 39.621 8.310 783 HA GLU 543 HA GLU 543 52.164 38.690 10.910 784 HB2 GLU 543 HB2 GLU 543 49.949 38.409 9.618 785 HB3 GLU 543 HB1 GLU 543 50.391 40.047 10.102 786 HG2 GLU 543 HG2 GLU 543 51.235 40.546 7.891 787 HG3 GLU 543 HG1 GLU 543 51.029 38.869 7.385 788 H ARG 544 HN ARG 544 53.717 37.955 8.031 789 HA ARG 544 HA ARG 544 52.535 35.430 7.363 790 HB2 ARG 544 HB2 ARG 544 55.453 36.140 7.003 791 HB3 ARG 544 HB1 ARG 544 54.462 35.071 6.010 792 HG2 ARG 544 HG2 ARG 544 54.093 38.064 6.291 793 HG3 ARG 544 HG1 ARG 544 54.777 37.244 4.896 794 HD2 ARG 544 HD2 ARG 544 52.450 35.886 5.063 795 HD3 ARG 544 HD1 ARG 544 51.929 37.406 5.781 796 HE ARG 544 HE ARG 544 52.267 36.943 3.012 797 HH11 ARG 544 HH11 ARG 544 52.781 38.527 1.507 798 HH12 ARG 544 HH12 ARG 544 53.389 40.056 2.046 799 HH21 ARG 544 HH21 ARG 544 53.254 39.232 5.403 800 HH22 ARG 544 HH22 ARG 544 53.665 40.449 4.247 801 H ARG 545 HN ARG 545 52.287 33.977 9.033 802 HA ARG 545 HA ARG 545 54.553 33.502 10.895 803 HB2 ARG 545 HB2 ARG 545 52.635 31.830 11.820 804 HB3 ARG 545 HB1 ARG 545 52.655 33.534 12.219 805 HG2 ARG 545 HG2 ARG 545 50.422 32.830 11.500 806 HG3 ARG 545 HG1 ARG 545 51.107 33.991 10.380 807 HD2 ARG 545 HD2 ARG 545 50.019 32.126 9.186 808 HD3 ARG 545 HD1 ARG 545 51.747 32.170 8.852 809 HE ARG 545 HE ARG 545 51.534 30.446 11.012 810 HH11 ARG 545 HH11 ARG 545 51.207 28.217 10.772 811 HH12 ARG 545 HH12 ARG 545 50.479 27.614 9.322 812 HH21 ARG 545 HH21 ARG 545 50.106 30.750 7.889 813 HH22 ARG 545 HH22 ARG 545 49.856 29.047 7.689 814 H GLY 546 HN GLY 546 53.772 30.681 11.317 815 HA2 GLY 546 HA2 GLY 546 54.013 29.257 8.818 816 HA3 GLY 546 HA1 GLY 546 55.575 29.375 9.628 817 H SER 547 HN SER 547 55.965 28.094 11.431 818 HA SER 547 HA SER 547 53.849 26.779 12.916 819 HB2 SER 547 HB2 SER 547 55.228 25.363 10.669 820 HB3 SER 547 HB1 SER 547 54.914 24.446 12.140 821 HG SER 547 HG SER 547 53.087 24.225 10.985 822 H LEU 548 HN LEU 548 54.784 26.785 14.928 823 HA LEU 548 HA LEU 548 57.550 27.202 15.344 824 HB2 LEU 548 HB2 LEU 548 55.202 26.562 17.025 825 HB3 LEU 548 HB1 LEU 548 56.732 26.034 17.710 826 HG LEU 548 HG LEU 548 57.609 28.389 17.268 827 HD11 LEU 548 HD11 LEU 548 56.123 29.269 15.672 828 HD12 LEU 548 HD12 LEU 548 55.688 30.106 17.154 829 HD13 LEU 548 HD13 LEU 548 54.701 28.766 16.577 830 HD21 LEU 548 HD21 LEU 548 56.670 27.496 19.489 831 HD22 LEU 548 HD22 LEU 548 55.214 28.407 19.093 832 HD23 LEU 548 HD23 LEU 548 56.756 29.245 19.288 833 H CYS 549 HN CYS 549 59.284 25.857 15.555 834 HA CYS 549 HA CYS 549 58.874 23.027 14.844 835 HB2 CYS 549 HB2 CYS 549 60.811 23.925 13.836 836 HB3 CYS 549 HB1 CYS 549 61.234 24.860 15.257 837 H SER 550 HN SER 550 58.003 21.967 16.552 838 HA SER 550 HA SER 550 58.214 22.594 19.253 839 HB2 SER 550 HB2 SER 550 56.591 21.004 18.653 840 HB3 SER 550 HB1 SER 550 57.772 19.920 17.927 841 HG SER 550 HG SER 550 57.869 20.672 20.652 842 H GLY 551 HN GLY 551 59.744 22.555 20.663 843 HA2 GLY 551 HA2 GLY 551 61.652 21.416 21.778 844 HA3 GLY 551 HA1 GLY 551 62.214 20.925 20.174 845 H CYS 552 HN CYS 552 61.499 23.364 18.901 846 HA CYS 552 HA CYS 552 63.676 25.161 19.884 847 HB2 CYS 552 HB2 CYS 552 62.409 24.562 17.222 848 HB3 CYS 552 HB1 CYS 552 63.193 26.112 17.476 849 H GLN 553 HN GLN 553 60.331 24.889 18.872 850 HA GLN 553 HA GLN 553 58.547 26.308 19.015 851 HB2 GLN 553 HB2 GLN 553 60.064 27.263 21.427 852 HB3 GLN 553 HB1 GLN 553 58.402 27.722 21.049 853 HG2 GLN 553 HG2 GLN 553 59.336 24.862 21.295 854 HG3 GLN 553 HG1 GLN 553 58.582 25.750 22.603 855 HE21 GLN 553 HE21 GLN 553 58.020 24.430 19.366 856 HE22 GLN 553 HE22 GLN 553 56.326 24.392 19.478 857 H LYS 554 HN LYS 554 59.906 27.007 17.098 858 HA LYS 554 HA LYS 554 59.852 29.967 17.065 859 HB2 LYS 554 HB2 LYS 554 62.090 28.280 15.920 860 HB3 LYS 554 HB1 LYS 554 61.895 30.000 15.619 861 HG2 LYS 554 HG2 LYS 554 62.229 28.769 18.367 862 HG3 LYS 554 HG1 LYS 554 63.538 29.492 17.438 863 HD2 LYS 554 HD2 LYS 554 61.917 31.580 17.330 864 HD3 LYS 554 HD1 LYS 554 61.172 30.822 18.736 865 HE2 LYS 554 HE2 LYS 554 62.793 32.252 19.674 866 HE3 LYS 554 HE1 LYS 554 63.581 30.674 19.682 867 HZ1 LYS 554 HZ1 LYS 554 65.123 31.392 18.276 868 HZ2 LYS 554 HZ2 LYS 554 64.533 32.966 18.524 869 HZ3 LYS 554 HZ3 LYS 554 63.973 32.042 17.213 870 HA PRO 555 HA PRO 555 57.087 28.723 13.686 871 HB2 PRO 555 HB2 PRO 555 57.979 31.259 12.438 872 HB3 PRO 555 HB1 PRO 555 56.342 30.670 12.741 873 HG2 PRO 555 HG2 PRO 555 57.559 32.612 14.261 874 HG3 PRO 555 HG1 PRO 555 56.283 31.555 14.873 875 HD2 PRO 555 HD2 PRO 555 59.147 31.577 15.582 876 HD3 PRO 555 HD1 PRO 555 57.802 30.750 16.406 877 H ILE 556 HN ILE 556 57.394 27.512 11.971 878 HA ILE 556 HA ILE 556 60.063 27.354 10.698 879 HB ILE 556 HB ILE 556 57.558 25.638 10.582 880 HG12 ILE 556 HG12 ILE 556 60.271 24.772 11.581 881 HG13 ILE 556 HG11 ILE 556 59.234 25.699 12.644 882 HG21 ILE 556 HG21 ILE 556 59.119 24.037 9.383 883 HG22 ILE 556 HG22 ILE 556 60.205 25.402 9.145 884 HG23 ILE 556 HG23 ILE 556 58.587 25.428 8.444 885 HD11 ILE 556 HD11 ILE 556 57.713 23.979 12.886 886 HD12 ILE 556 HD12 ILE 556 59.129 23.006 12.514 887 HD13 ILE 556 HD13 ILE 556 57.964 23.376 11.248 888 H THR 557 HN THR 557 60.094 29.107 9.246 889 HA THR 557 HA THR 557 57.761 29.490 7.437 890 HB THR 557 HB THR 557 58.569 31.663 7.076 891 HG1 THR 557 HG1 THR 557 61.039 31.010 8.265 892 HG21 THR 557 HG21 THR 557 58.832 32.537 9.282 893 HG22 THR 557 HG22 THR 557 59.590 31.050 9.851 894 HG23 THR 557 HG23 THR 557 57.870 31.068 9.467 895 H GLY 558 HN GLY 558 58.051 27.777 6.016 896 HA2 GLY 558 HA2 GLY 558 59.217 28.095 3.586 897 HA3 GLY 558 HA1 GLY 558 60.555 27.426 4.533 898 H ARG 559 HN ARG 559 60.463 25.304 5.197 899 HA ARG 559 HA ARG 559 58.175 23.645 4.208 900 HB2 ARG 559 HB2 ARG 559 61.156 23.202 4.308 901 HB3 ARG 559 HB1 ARG 559 60.084 21.806 4.419 902 HG2 ARG 559 HG2 ARG 559 59.649 23.842 2.242 903 HG3 ARG 559 HG1 ARG 559 60.923 22.641 2.057 904 HD2 ARG 559 HD2 ARG 559 59.416 20.850 2.013 905 HD3 ARG 559 HD1 ARG 559 58.154 21.759 2.847 906 HE ARG 559 HE ARG 559 58.477 23.128 0.464 907 HH11 ARG 559 HH11 ARG 559 57.290 22.632 -1.395 908 HH12 ARG 559 HH12 ARG 559 56.653 21.034 -1.599 909 HH21 ARG 559 HH21 ARG 559 57.925 19.858 1.405 910 HH22 ARG 559 HH22 ARG 559 57.014 19.464 -0.014 911 H CYS 560 HN CYS 560 57.497 21.959 5.705 912 HA CYS 560 HA CYS 560 58.710 22.076 8.407 913 HB2 CYS 560 HB2 CYS 560 56.508 22.342 9.488 914 HB3 CYS 560 HB1 CYS 560 56.956 23.755 8.526 915 HG CYS 560 HG CYS 560 55.129 23.245 6.876 916 H ILE 561 HN ILE 561 58.970 20.180 9.213 917 HA ILE 561 HA ILE 561 57.590 17.855 8.031 918 HB ILE 561 HB ILE 561 59.796 18.106 10.095 919 HG12 ILE 561 HG12 ILE 561 59.735 17.351 7.180 920 HG13 ILE 561 HG11 ILE 561 60.408 18.830 7.843 921 HG21 ILE 561 HG21 ILE 561 58.427 16.012 10.359 922 HG22 ILE 561 HG22 ILE 561 60.082 15.692 9.847 923 HG23 ILE 561 HG23 ILE 561 58.771 15.633 8.668 924 HD11 ILE 561 HD11 ILE 561 62.267 17.369 7.492 925 HD12 ILE 561 HD12 ILE 561 61.415 16.005 8.228 926 HD13 ILE 561 HD13 ILE 561 61.949 17.359 9.227 927 H THR 562 HN THR 562 56.300 16.541 9.256 928 HA THR 562 HA THR 562 55.401 17.625 11.898 929 HB THR 562 HB THR 562 53.641 16.008 10.068 930 HG1 THR 562 HG1 THR 562 53.088 17.780 9.054 931 HG21 THR 562 HG21 THR 562 52.980 17.968 12.274 932 HG22 THR 562 HG22 THR 562 53.159 16.232 12.543 933 HG23 THR 562 HG23 THR 562 51.880 16.836 11.485 934 H ALA 563 HN ALA 563 54.995 16.184 13.507 935 HA ALA 563 HA ALA 563 55.929 13.380 13.057 936 HB1 ALA 563 HB1 ALA 563 56.301 15.086 15.522 937 HB2 ALA 563 HB2 ALA 563 57.536 14.857 14.280 938 HB3 ALA 563 HB3 ALA 563 56.974 13.478 15.238 939 H MET 564 HN MET 564 55.257 13.482 16.136 940 HA MET 564 HA MET 564 52.770 12.075 15.971 941 HB2 MET 564 HB2 MET 564 53.740 13.460 18.461 942 HB3 MET 564 HB1 MET 564 52.951 11.889 18.301 943 HG2 MET 564 HG2 MET 564 55.053 11.174 16.985 944 HG3 MET 564 HG1 MET 564 55.793 12.637 17.631 945 HE1 MET 564 HE1 MET 564 56.830 9.618 18.115 946 HE2 MET 564 HE2 MET 564 55.166 9.040 18.059 947 HE3 MET 564 HE3 MET 564 56.135 8.773 19.505 948 H ALA 565 HN ALA 565 52.933 14.797 14.885 949 HA ALA 565 HA ALA 565 51.015 16.223 14.463 950 HB1 ALA 565 HB1 ALA 565 49.573 16.970 16.226 951 HB2 ALA 565 HB2 ALA 565 50.628 16.305 17.468 952 HB3 ALA 565 HB3 ALA 565 49.708 15.224 16.413 953 H LYS 566 HN LYS 566 53.796 16.134 16.282 954 HA LYS 566 HA LYS 566 53.952 19.014 16.864 955 HB2 LYS 566 HB2 LYS 566 55.681 16.602 17.233 956 HB3 LYS 566 HB1 LYS 566 56.520 18.143 17.101 957 HG2 LYS 566 HG2 LYS 566 55.425 19.035 18.998 958 HG3 LYS 566 HG1 LYS 566 54.194 17.775 18.989 959 HD2 LYS 566 HD2 LYS 566 57.078 16.960 19.284 960 HD3 LYS 566 HD1 LYS 566 56.252 17.653 20.673 961 HE2 LYS 566 HE2 LYS 566 54.713 15.888 20.808 962 HE3 LYS 566 HE1 LYS 566 54.911 15.451 19.106 963 HZ1 LYS 566 HZ1 LYS 566 56.838 14.325 19.527 964 HZ2 LYS 566 HZ2 LYS 566 56.016 14.041 20.986 965 HZ3 LYS 566 HZ3 LYS 566 57.222 15.235 20.906 966 H LYS 567 HN LYS 567 55.665 20.343 15.834 967 HA LYS 567 HA LYS 567 56.005 19.625 12.949 968 HB2 LYS 567 HB2 LYS 567 56.521 22.354 14.076 969 HB3 LYS 567 HB1 LYS 567 55.985 21.914 12.466 970 HG2 LYS 567 HG2 LYS 567 54.326 21.725 15.007 971 HG3 LYS 567 HG1 LYS 567 54.149 22.937 13.751 972 HD2 LYS 567 HD2 LYS 567 53.764 19.946 13.316 973 HD3 LYS 567 HD1 LYS 567 52.465 21.117 13.537 974 HE2 LYS 567 HE2 LYS 567 53.563 22.388 11.550 975 HE3 LYS 567 HE1 LYS 567 54.383 20.860 11.238 976 HZ1 LYS 567 HZ1 LYS 567 51.473 21.389 11.276 977 HZ2 LYS 567 HZ2 LYS 567 52.114 19.816 11.332 978 HZ3 LYS 567 HZ3 LYS 567 52.413 20.811 9.988 979 H PHE 568 HN PHE 568 58.224 20.662 12.103 980 HA PHE 568 HA PHE 568 60.321 20.670 14.163 981 HB2 PHE 568 HB2 PHE 568 59.601 18.198 12.817 982 HB3 PHE 568 HB1 PHE 568 61.236 18.625 12.357 983 HD1 PHE 568 HD1 PHE 568 62.949 19.061 14.178 984 HD2 PHE 568 HD2 PHE 568 59.084 17.372 14.996 985 HE1 PHE 568 HE1 PHE 568 63.771 18.238 16.369 986 HE2 PHE 568 HE2 PHE 568 59.907 16.550 17.186 987 HZ PHE 568 HZ PHE 568 62.250 16.983 17.872 988 H HIS 569 HN HIS 569 62.068 21.799 13.451 989 HA HIS 569 HA HIS 569 62.003 23.262 11.024 990 HB2 HIS 569 HB2 HIS 569 64.155 22.481 12.949 991 HB3 HIS 569 HB1 HIS 569 64.632 23.219 11.433 992 HD2 HIS 569 HD2 HIS 569 62.954 25.804 11.093 993 HE1 HIS 569 HE1 HIS 569 63.374 26.515 15.227 994 HA PRO 570 HA PRO 570 62.521 19.495 8.476 995 HB2 PRO 570 HB2 PRO 570 63.530 21.501 6.499 996 HB3 PRO 570 HB1 PRO 570 62.302 20.240 6.295 997 HG2 PRO 570 HG2 PRO 570 61.657 22.874 6.567 998 HG3 PRO 570 HG1 PRO 570 60.604 21.571 7.126 999 HD2 PRO 570 HD2 PRO 570 62.208 23.478 8.730 1000 HD3 PRO 570 HD1 PRO 570 60.807 22.494 9.216 1001 H GLU 571 HN GLU 571 64.862 21.778 9.494 1002 HA GLU 571 HA GLU 571 67.149 20.246 8.408 1003 HB2 GLU 571 HB2 GLU 571 67.385 22.657 10.197 1004 HB3 GLU 571 HB1 GLU 571 68.463 22.114 8.912 1005 HG2 GLU 571 HG2 GLU 571 66.582 22.573 7.284 1006 HG3 GLU 571 HG1 GLU 571 65.726 23.345 8.623 1007 H HIS 572 HN HIS 572 66.039 21.493 11.561 1008 HA HIS 572 HA HIS 572 67.951 20.095 13.129 1009 HB2 HIS 572 HB2 HIS 572 65.118 20.752 13.994 1010 HB3 HIS 572 HB1 HIS 572 66.520 20.537 15.040 1011 HD2 HIS 572 HD2 HIS 572 68.408 22.346 12.730 1012 HE1 HIS 572 HE1 HIS 572 66.130 25.535 14.275 1013 H PHE 573 HN PHE 573 65.642 18.767 11.161 1014 HA PHE 573 HA PHE 573 65.747 16.176 12.684 1015 HB2 PHE 573 HB2 PHE 573 63.446 17.426 12.535 1016 HB3 PHE 573 HB1 PHE 573 63.465 16.898 10.859 1017 HD1 PHE 573 HD1 PHE 573 63.080 14.606 10.258 1018 HD2 PHE 573 HD2 PHE 573 63.529 15.731 14.379 1019 HE1 PHE 573 HE1 PHE 573 62.302 12.358 10.956 1020 HE2 PHE 573 HE2 PHE 573 62.751 13.483 15.077 1021 HZ PHE 573 HZ PHE 573 62.137 11.796 13.366 1022 H VAL 574 HN VAL 574 67.740 16.662 11.024 1023 HA VAL 574 HA VAL 574 67.101 15.759 8.298 1024 HB VAL 574 HB VAL 574 69.545 16.112 7.914 1025 HG11 VAL 574 HG11 VAL 574 68.739 18.115 7.245 1026 HG12 VAL 574 HG12 VAL 574 69.077 18.752 8.834 1027 HG13 VAL 574 HG13 VAL 574 67.484 18.084 8.469 1028 HG21 VAL 574 HG21 VAL 574 70.248 15.690 10.262 1029 HG22 VAL 574 HG22 VAL 574 69.440 17.186 10.761 1030 HG23 VAL 574 HG23 VAL 574 70.832 17.248 9.677 1031 H CYS 575 HN CYS 575 68.902 14.203 7.395 1032 HA CYS 575 HA CYS 575 68.801 11.706 8.958 1033 HB2 CYS 575 HB2 CYS 575 68.637 10.937 6.827 1034 HB3 CYS 575 HB1 CYS 575 69.161 12.485 6.176 1035 H ALA 576 HN ALA 576 70.683 10.669 9.903 1036 HA ALA 576 HA ALA 576 72.993 12.567 10.131 1037 HB1 ALA 576 HB1 ALA 576 71.864 11.172 12.072 1038 HB2 ALA 576 HB2 ALA 576 73.621 11.342 12.033 1039 HB3 ALA 576 HB3 ALA 576 72.868 9.854 11.460 1040 H PHE 577 HN PHE 577 73.413 12.173 7.826 1041 HA PHE 577 HA PHE 577 75.663 10.350 7.462 1042 HB2 PHE 577 HB2 PHE 577 73.865 8.902 6.540 1043 HB3 PHE 577 HB1 PHE 577 73.300 10.229 5.541 1044 HD1 PHE 577 HD1 PHE 577 76.122 7.865 6.088 1045 HD2 PHE 577 HD2 PHE 577 74.403 10.850 3.520 1046 HE1 PHE 577 HE1 PHE 577 77.732 7.263 4.307 1047 HE2 PHE 577 HE2 PHE 577 76.017 10.245 1.739 1048 HZ PHE 577 HZ PHE 577 77.681 8.451 2.132 1049 H CYS 578 HN CYS 578 73.273 12.304 5.950 1050 HA CYS 578 HA CYS 578 75.229 14.381 5.110 1051 HB2 CYS 578 HB2 CYS 578 73.779 14.751 3.115 1052 HB3 CYS 578 HB1 CYS 578 74.462 13.132 3.099 1053 H LEU 579 HN LEU 579 74.610 15.145 7.209 1054 HA LEU 579 HA LEU 579 72.090 15.583 8.262 1055 HB2 LEU 579 HB2 LEU 579 74.503 17.378 8.509 1056 HB3 LEU 579 HB1 LEU 579 73.164 17.285 9.648 1057 HG LEU 579 HG LEU 579 74.368 14.629 9.069 1058 HD11 LEU 579 HD11 LEU 579 76.340 15.195 10.667 1059 HD12 LEU 579 HD12 LEU 579 76.082 16.857 10.135 1060 HD13 LEU 579 HD13 LEU 579 76.484 15.610 8.960 1061 HD21 LEU 579 HD21 LEU 579 72.724 15.393 10.949 1062 HD22 LEU 579 HD22 LEU 579 74.177 15.970 11.761 1063 HD23 LEU 579 HD23 LEU 579 74.015 14.265 11.360 1064 H LYS 580 HN LYS 580 72.508 16.715 5.226 1065 HA LYS 580 HA LYS 580 71.685 19.503 5.785 1066 HB2 LYS 580 HB2 LYS 580 72.136 19.970 3.573 1067 HB3 LYS 580 HB1 LYS 580 73.148 18.552 3.775 1068 HG2 LYS 580 HG2 LYS 580 70.323 18.444 2.629 1069 HG3 LYS 580 HG1 LYS 580 71.780 18.575 1.659 1070 HD2 LYS 580 HD2 LYS 580 72.525 16.443 2.212 1071 HD3 LYS 580 HD1 LYS 580 71.579 16.383 3.694 1072 HE2 LYS 580 HE2 LYS 580 70.776 14.995 1.632 1073 HE3 LYS 580 HE1 LYS 580 69.594 15.905 2.572 1074 HZ1 LYS 580 HZ1 LYS 580 69.279 16.308 0.232 1075 HZ2 LYS 580 HZ2 LYS 580 70.897 16.796 0.057 1076 HZ3 LYS 580 HZ3 LYS 580 69.820 17.731 0.980 1077 H GLN 581 HN GLN 581 69.998 16.532 4.567 1078 HA GLN 581 HA GLN 581 67.537 17.805 5.440 1079 HB2 GLN 581 HB2 GLN 581 67.954 18.819 3.203 1080 HB3 GLN 581 HB1 GLN 581 67.673 17.229 2.499 1081 HG2 GLN 581 HG2 GLN 581 65.562 18.327 2.434 1082 HG3 GLN 581 HG1 GLN 581 65.454 17.242 3.807 1083 HE21 GLN 581 HE21 GLN 581 65.912 18.263 5.998 1084 HE22 GLN 581 HE22 GLN 581 65.508 19.889 6.206 1085 H LEU 582 HN LEU 582 65.893 16.520 5.851 1086 HA LEU 582 HA LEU 582 65.901 13.727 4.835 1087 HB2 LEU 582 HB2 LEU 582 66.874 13.919 7.161 1088 HB3 LEU 582 HB1 LEU 582 65.299 14.467 7.701 1089 HG LEU 582 HG LEU 582 64.310 12.331 6.983 1090 HD11 LEU 582 HD11 LEU 582 66.347 10.546 6.532 1091 HD12 LEU 582 HD12 LEU 582 66.979 11.984 5.732 1092 HD13 LEU 582 HD13 LEU 582 65.422 11.327 5.252 1093 HD21 LEU 582 HD21 LEU 582 66.643 12.363 8.881 1094 HD22 LEU 582 HD22 LEU 582 65.798 10.852 8.579 1095 HD23 LEU 582 HD23 LEU 582 64.925 12.239 9.228 1096 H ASN 583 HN ASN 583 63.673 12.712 5.360 1097 HA ASN 583 HA ASN 583 61.482 14.724 5.510 1098 HB2 ASN 583 HB2 ASN 583 62.088 12.922 3.161 1099 HB3 ASN 583 HB1 ASN 583 60.434 13.430 3.489 1100 HD21 ASN 583 HD21 ASN 583 61.498 14.296 1.123 1101 HD22 ASN 583 HD22 ASN 583 61.885 15.941 1.204 1102 H LYS 584 HN LYS 584 59.893 13.938 6.793 1103 HA LYS 584 HA LYS 584 60.015 11.511 8.182 1104 HB2 LYS 584 HB2 LYS 584 57.613 11.868 8.648 1105 HB3 LYS 584 HB1 LYS 584 58.545 13.348 8.844 1106 HG2 LYS 584 HG2 LYS 584 57.268 14.407 7.270 1107 HG3 LYS 584 HG1 LYS 584 57.704 13.193 6.065 1108 HD2 LYS 584 HD2 LYS 584 55.329 13.141 6.221 1109 HD3 LYS 584 HD1 LYS 584 55.899 11.721 7.093 1110 HE2 LYS 584 HE2 LYS 584 54.285 12.665 8.543 1111 HE3 LYS 584 HE1 LYS 584 55.821 13.225 9.200 1112 HZ1 LYS 584 HZ1 LYS 584 54.979 15.257 9.003 1113 HZ2 LYS 584 HZ2 LYS 584 53.682 14.728 8.040 1114 HZ3 LYS 584 HZ3 LYS 584 55.180 15.094 7.327 1115 H GLY 585 HN GLY 585 59.159 12.080 4.924 1116 HA2 GLY 585 HA2 GLY 585 57.524 9.651 4.651 1117 HA3 GLY 585 HA1 GLY 585 57.952 10.777 3.364 1118 H THR 586 HN THR 586 60.781 10.644 4.393 1119 HA THR 586 HA THR 586 61.547 7.920 3.421 1120 HB THR 586 HB THR 586 63.032 8.768 1.833 1121 HG1 THR 586 HG1 THR 586 64.263 10.342 2.421 1122 HG21 THR 586 HG21 THR 586 60.958 10.980 1.946 1123 HG22 THR 586 HG22 THR 586 60.640 9.372 1.296 1124 HG23 THR 586 HG23 THR 586 61.833 10.415 0.520 1125 H PHE 587 HN PHE 587 61.371 9.215 6.097 1126 HA PHE 587 HA PHE 587 64.227 9.544 6.823 1127 HB2 PHE 587 HB2 PHE 587 63.531 10.422 8.857 1128 HB3 PHE 587 HB1 PHE 587 62.252 10.936 7.780 1129 HD1 PHE 587 HD1 PHE 587 60.441 8.760 7.479 1130 HD2 PHE 587 HD2 PHE 587 62.715 9.834 10.964 1131 HE1 PHE 587 HE1 PHE 587 58.783 7.613 8.915 1132 HE2 PHE 587 HE2 PHE 587 61.053 8.684 12.398 1133 HZ PHE 587 HZ PHE 587 59.088 7.573 11.374 1134 H LYS 588 HN LYS 588 65.331 7.755 7.004 1135 HA LYS 588 HA LYS 588 64.137 5.316 8.217 1136 HB2 LYS 588 HB2 LYS 588 65.778 5.756 5.959 1137 HB3 LYS 588 HB1 LYS 588 66.857 5.105 7.150 1138 HG2 LYS 588 HG2 LYS 588 65.807 3.393 5.639 1139 HG3 LYS 588 HG1 LYS 588 65.628 3.084 7.352 1140 HD2 LYS 588 HD2 LYS 588 63.592 2.735 5.740 1141 HD3 LYS 588 HD1 LYS 588 63.327 3.455 7.307 1142 HE2 LYS 588 HE2 LYS 588 62.888 5.559 6.398 1143 HE3 LYS 588 HE1 LYS 588 63.889 5.266 4.994 1144 HZ1 LYS 588 HZ1 LYS 588 61.830 3.385 5.014 1145 HZ2 LYS 588 HZ2 LYS 588 62.117 4.622 3.885 1146 HZ3 LYS 588 HZ3 LYS 588 61.142 4.918 5.244 1147 H GLU 589 HN GLU 589 65.500 4.194 9.834 1148 HA GLU 589 HA GLU 589 67.583 5.823 11.134 1149 HB2 GLU 589 HB2 GLU 589 65.824 6.887 12.234 1150 HB3 GLU 589 HB1 GLU 589 64.833 5.437 12.292 1151 HG2 GLU 589 HG2 GLU 589 66.166 4.501 14.050 1152 HG3 GLU 589 HG1 GLU 589 67.426 5.721 13.840 1153 H GLN 590 HN GLN 590 68.656 4.754 12.791 1154 HA GLN 590 HA GLN 590 68.086 1.996 13.468 1155 HB2 GLN 590 HB2 GLN 590 70.159 1.045 12.615 1156 HB3 GLN 590 HB1 GLN 590 69.283 1.773 11.280 1157 HG2 GLN 590 HG2 GLN 590 70.669 3.815 11.525 1158 HG3 GLN 590 HG1 GLN 590 71.594 2.997 12.766 1159 HE21 GLN 590 HE21 GLN 590 70.707 0.602 10.641 1160 HE22 GLN 590 HE22 GLN 590 72.064 0.606 9.621 1161 H ASN 591 HN ASN 591 69.213 1.474 15.369 1162 HA ASN 591 HA ASN 591 70.053 2.048 17.467 1163 HB2 ASN 591 HB2 ASN 591 72.328 3.636 16.739 1164 HB3 ASN 591 HB1 ASN 591 72.300 1.942 17.184 1165 HD21 ASN 591 HD21 ASN 591 70.931 0.858 14.991 1166 HD22 ASN 591 HD22 ASN 591 71.836 1.094 13.575 1167 H ASP 592 HN ASP 592 68.186 3.986 16.084 1168 HA ASP 592 HA ASP 592 67.089 5.904 16.914 1169 HB2 ASP 592 HB2 ASP 592 69.498 6.671 18.541 1170 HB3 ASP 592 HB1 ASP 592 67.796 7.003 18.851 1171 H LYS 593 HN LYS 593 70.005 5.816 15.263 1172 HA LYS 593 HA LYS 593 70.365 8.700 14.977 1173 HB2 LYS 593 HB2 LYS 593 71.575 6.369 13.526 1174 HB3 LYS 593 HB1 LYS 593 72.140 8.032 13.453 1175 HG2 LYS 593 HG2 LYS 593 72.227 7.785 16.088 1176 HG3 LYS 593 HG1 LYS 593 72.295 6.065 15.716 1177 HD2 LYS 593 HD2 LYS 593 74.255 6.421 14.285 1178 HD3 LYS 593 HD1 LYS 593 74.179 8.159 14.586 1179 HE2 LYS 593 HE2 LYS 593 74.348 6.266 16.925 1180 HE3 LYS 593 HE1 LYS 593 75.805 6.653 16.015 1181 HZ1 LYS 593 HZ1 LYS 593 75.795 8.315 17.562 1182 HZ2 LYS 593 HZ2 LYS 593 74.099 8.414 17.625 1183 HZ3 LYS 593 HZ3 LYS 593 74.944 9.074 16.306 1184 HA PRO 594 HA PRO 594 67.170 8.717 11.660 1185 HB2 PRO 594 HB2 PRO 594 68.457 11.338 11.080 1186 HB3 PRO 594 HB1 PRO 594 66.751 10.963 11.327 1187 HG2 PRO 594 HG2 PRO 594 68.255 12.258 13.173 1188 HG3 PRO 594 HG1 PRO 594 66.921 11.185 13.624 1189 HD2 PRO 594 HD2 PRO 594 69.859 10.723 13.870 1190 HD3 PRO 594 HD1 PRO 594 68.519 10.005 14.794 1191 H TYR 595 HN TYR 595 67.277 8.809 9.260 1192 HA TYR 595 HA TYR 595 69.818 9.066 7.883 1193 HB2 TYR 595 HB2 TYR 595 68.819 6.333 8.640 1194 HB3 TYR 595 HB1 TYR 595 69.668 6.551 7.120 1195 HD1 TYR 595 HD1 TYR 595 71.940 7.924 7.313 1196 HD2 TYR 595 HD2 TYR 595 70.087 5.753 10.503 1197 HE1 TYR 595 HE1 TYR 595 74.151 7.661 8.426 1198 HE2 TYR 595 HE2 TYR 595 72.293 5.494 11.606 1199 HH TYR 595 HH TYR 595 74.490 5.769 11.404 1200 H CYS 596 HN CYS 596 69.461 9.132 5.613 1201 HA CYS 596 HA CYS 596 66.657 9.003 4.712 1202 HB2 CYS 596 HB2 CYS 596 69.087 9.051 2.901 1203 HB3 CYS 596 HB1 CYS 596 67.463 9.624 2.556 1204 H GLN 597 HN GLN 597 65.975 7.231 3.221 1205 HA GLN 597 HA GLN 597 66.950 4.719 4.094 1206 HB2 GLN 597 HB2 GLN 597 64.847 4.540 3.094 1207 HB3 GLN 597 HB1 GLN 597 65.253 5.647 1.814 1208 HG2 GLN 597 HG2 GLN 597 65.178 3.626 0.653 1209 HG3 GLN 597 HG1 GLN 597 66.880 3.707 1.057 1210 HE21 GLN 597 HE21 GLN 597 66.375 3.123 3.942 1211 HE22 GLN 597 HE22 GLN 597 65.994 1.490 4.018 1212 H ASN 598 HN ASN 598 67.555 6.393 1.009 1213 HA ASN 598 HA ASN 598 69.504 4.744 -0.075 1214 HB2 ASN 598 HB2 ASN 598 69.960 7.713 -0.137 1215 HB3 ASN 598 HB1 ASN 598 70.075 6.541 -1.443 1216 HD21 ASN 598 HD21 ASN 598 67.698 5.285 -1.479 1217 HD22 ASN 598 HD22 ASN 598 66.421 6.373 -1.704 1218 H CYS 599 HN CYS 599 69.796 6.885 2.682 1219 HA CYS 599 HA CYS 599 72.710 6.639 2.781 1220 HB2 CYS 599 HB2 CYS 599 70.662 7.825 4.672 1221 HB3 CYS 599 HB1 CYS 599 72.386 7.783 5.019 1222 H PHE 600 HN PHE 600 70.077 5.679 5.035 1223 HA PHE 600 HA PHE 600 71.639 3.954 6.637 1224 HB2 PHE 600 HB2 PHE 600 69.549 4.344 7.578 1225 HB3 PHE 600 HB1 PHE 600 68.714 4.217 6.035 1226 HD1 PHE 600 HD1 PHE 600 70.073 2.389 8.919 1227 HD2 PHE 600 HD2 PHE 600 68.079 2.020 5.133 1228 HE1 PHE 600 HE1 PHE 600 69.465 0.047 9.467 1229 HE2 PHE 600 HE2 PHE 600 67.472 -0.321 5.680 1230 HZ PHE 600 HZ PHE 600 68.165 -1.307 7.848 1231 H LEU 601 HN LEU 601 69.519 3.032 3.894 1232 HA LEU 601 HA LEU 601 70.110 0.323 3.841 1233 HB2 LEU 601 HB2 LEU 601 68.825 0.401 1.966 1234 HB3 LEU 601 HB1 LEU 601 68.790 2.142 2.170 1235 HG LEU 601 HG LEU 601 70.874 2.277 0.750 1236 HD11 LEU 601 HD11 LEU 601 70.688 -0.158 -0.699 1237 HD12 LEU 601 HD12 LEU 601 70.715 -0.626 0.998 1238 HD13 LEU 601 HD13 LEU 601 72.012 0.363 0.337 1239 HD21 LEU 601 HD21 LEU 601 68.505 0.918 -0.562 1240 HD22 LEU 601 HD22 LEU 601 69.655 2.004 -1.338 1241 HD23 LEU 601 HD23 LEU 601 68.551 2.621 -0.112 1242 H LYS 602 HN LYS 602 72.020 2.964 2.438 1243 HA LYS 602 HA LYS 602 73.991 1.402 1.164 1244 HB2 LYS 602 HB2 LYS 602 73.743 3.938 1.115 1245 HB3 LYS 602 HB1 LYS 602 74.534 3.965 2.681 1246 HG2 LYS 602 HG2 LYS 602 76.342 4.274 1.267 1247 HG3 LYS 602 HG1 LYS 602 76.376 2.526 1.435 1248 HD2 LYS 602 HD2 LYS 602 74.971 2.404 -0.675 1249 HD3 LYS 602 HD1 LYS 602 75.231 4.136 -0.860 1250 HE2 LYS 602 HE2 LYS 602 77.766 3.547 -0.627 1251 HE3 LYS 602 HE1 LYS 602 77.246 1.909 -0.992 1252 HZ1 LYS 602 HZ1 LYS 602 77.665 4.001 -2.775 1253 HZ2 LYS 602 HZ2 LYS 602 75.999 3.671 -2.780 1254 HZ3 LYS 602 HZ3 LYS 602 77.114 2.435 -3.119 1255 H LEU 603 HN LEU 603 73.434 1.941 4.562 1256 HA LEU 603 HA LEU 603 76.132 1.024 5.315 1257 HB2 LEU 603 HB2 LEU 603 73.880 1.407 7.269 1258 HB3 LEU 603 HB1 LEU 603 75.607 1.697 7.487 1259 HG LEU 603 HG LEU 603 73.700 3.320 5.793 1260 HD11 LEU 603 HD11 LEU 603 75.368 4.470 7.991 1261 HD12 LEU 603 HD12 LEU 603 73.940 3.537 8.440 1262 HD13 LEU 603 HD13 LEU 603 73.777 4.957 7.410 1263 HD21 LEU 603 HD21 LEU 603 75.805 4.810 5.576 1264 HD22 LEU 603 HD22 LEU 603 75.744 3.353 4.590 1265 HD23 LEU 603 HD23 LEU 603 76.705 3.376 6.066 1266 H PHE 604 HN PHE 604 72.804 -0.136 6.053 1267 HA PHE 604 HA PHE 604 73.978 -2.866 6.488 1268 HB2 PHE 604 HB2 PHE 604 71.681 -1.358 7.703 1269 HB3 PHE 604 HB1 PHE 604 71.571 -3.117 7.622 1270 HD1 PHE 604 HD1 PHE 604 73.667 -0.287 8.873 1271 HD2 PHE 604 HD2 PHE 604 72.840 -4.503 9.083 1272 HE1 PHE 604 HE1 PHE 604 75.141 -0.483 10.855 1273 HE2 PHE 604 HE2 PHE 604 74.318 -4.692 11.064 1274 HZ PHE 604 HZ PHE 604 75.469 -2.682 11.950 1275 H CYS 605 HN CYS 605 71.643 -1.068 4.581 1276 HA CYS 605 HA CYS 605 70.115 -1.799 2.936 1277 HB2 CYS 605 HB2 CYS 605 71.160 -2.940 1.175 1278 HB3 CYS 605 HB1 CYS 605 72.523 -2.213 2.018 1279 HG CYS 605 HG CYS 605 73.401 -4.508 2.269 Start of MODEL 2 1 H MET 1 HT1 MET 1 92.812 -29.376 16.175 2 HA MET 1 HA MET 1 90.998 -28.861 14.584 3 HB2 MET 1 HB2 MET 1 91.823 -26.488 14.243 4 HB3 MET 1 HB1 MET 1 93.129 -27.153 13.264 5 HG2 MET 1 HG2 MET 1 91.234 -28.351 11.941 6 HG3 MET 1 HG1 MET 1 90.161 -27.190 12.722 7 HE1 MET 1 HE1 MET 1 90.746 -26.074 8.974 8 HE2 MET 1 HE2 MET 1 89.492 -26.324 10.185 9 HE3 MET 1 HE3 MET 1 90.547 -27.660 9.733 10 H ALA 2 HN ALA 2 93.324 -28.521 12.181 11 HA ALA 2 HA ALA 2 94.310 -31.305 12.309 12 HB1 ALA 2 HB1 ALA 2 92.727 -30.328 9.922 13 HB2 ALA 2 HB2 ALA 2 92.022 -31.330 11.192 14 HB3 ALA 2 HB3 ALA 2 93.343 -31.956 10.204 15 H LEU 3 HN LEU 3 93.898 -28.552 10.101 16 HA LEU 3 HA LEU 3 96.155 -28.782 8.512 17 HB2 LEU 3 HB2 LEU 3 94.887 -26.343 9.762 18 HB3 LEU 3 HB1 LEU 3 96.170 -26.222 8.559 19 HG LEU 3 HG LEU 3 93.586 -27.743 8.123 20 HD11 LEU 3 HD11 LEU 3 94.364 -24.894 7.480 21 HD12 LEU 3 HD12 LEU 3 92.938 -25.465 8.347 22 HD13 LEU 3 HD13 LEU 3 93.078 -25.732 6.609 23 HD21 LEU 3 HD21 LEU 3 94.437 -27.188 5.650 24 HD22 LEU 3 HD22 LEU 3 95.036 -28.593 6.520 25 HD23 LEU 3 HD23 LEU 3 96.007 -27.125 6.451 26 H ASP 4 HN ASP 4 96.276 -26.294 10.930 27 HA ASP 4 HA ASP 4 98.081 -25.515 12.209 28 HB2 ASP 4 HB2 ASP 4 97.220 -27.310 13.636 29 HB3 ASP 4 HB1 ASP 4 98.175 -28.486 12.736 30 H GLY 5 HN GLY 5 98.588 -26.538 9.403 31 HA2 GLY 5 HA2 GLY 5 101.183 -27.761 9.292 32 HA3 GLY 5 HA1 GLY 5 100.428 -26.829 7.993 33 H ILE 6 HN ILE 6 100.072 -24.725 10.168 34 HA ILE 6 HA ILE 6 102.745 -23.439 9.794 35 HB ILE 6 HB ILE 6 100.968 -21.423 10.534 36 HG12 ILE 6 HG12 ILE 6 99.137 -23.201 10.316 37 HG13 ILE 6 HG11 ILE 6 98.899 -21.707 9.419 38 HG21 ILE 6 HG21 ILE 6 100.910 -20.893 8.074 39 HG22 ILE 6 HG22 ILE 6 101.764 -22.413 7.804 40 HG23 ILE 6 HG23 ILE 6 102.519 -21.132 8.753 41 HD11 ILE 6 HD11 ILE 6 98.724 -24.251 8.358 42 HD12 ILE 6 HD12 ILE 6 100.345 -23.765 7.868 43 HD13 ILE 6 HD13 ILE 6 98.955 -22.778 7.421 44 H ARG 7 HN ARG 7 100.481 -22.116 12.088 45 HA ARG 7 HA ARG 7 101.718 -23.497 14.364 46 HB2 ARG 7 HB2 ARG 7 102.346 -21.240 15.376 47 HB3 ARG 7 HB1 ARG 7 103.374 -21.838 14.081 48 HG2 ARG 7 HG2 ARG 7 101.097 -20.156 13.158 49 HG3 ARG 7 HG1 ARG 7 102.294 -19.312 14.132 50 HD2 ARG 7 HD2 ARG 7 104.067 -19.920 12.625 51 HD3 ARG 7 HD1 ARG 7 103.010 -21.015 11.742 52 HE ARG 7 HE ARG 7 101.832 -18.442 11.635 53 HH11 ARG 7 HH11 ARG 7 102.120 -17.172 9.789 54 HH12 ARG 7 HH12 ARG 7 103.454 -17.493 8.732 55 HH21 ARG 7 HH21 ARG 7 104.660 -20.136 10.624 56 HH22 ARG 7 HH22 ARG 7 104.891 -19.171 9.205 57 H MET 8 HN MET 8 100.462 -20.280 14.809 58 HA MET 8 HA MET 8 97.740 -21.317 15.336 59 HB2 MET 8 HB2 MET 8 98.363 -19.777 17.663 60 HB3 MET 8 HB1 MET 8 98.009 -21.488 17.567 61 HG2 MET 8 HG2 MET 8 100.315 -22.060 17.230 62 HG3 MET 8 HG1 MET 8 100.794 -20.385 17.049 63 HE1 MET 8 HE1 MET 8 102.502 -21.236 20.333 64 HE2 MET 8 HE2 MET 8 102.549 -20.044 19.036 65 HE3 MET 8 HE3 MET 8 102.478 -21.760 18.644 66 HA PRO 9 HA PRO 9 97.533 -16.369 15.597 67 HB2 PRO 9 HB2 PRO 9 100.155 -16.048 14.138 68 HB3 PRO 9 HB1 PRO 9 99.327 -14.897 15.213 69 HG2 PRO 9 HG2 PRO 9 101.345 -16.302 16.125 70 HG3 PRO 9 HG1 PRO 9 99.884 -16.091 17.111 71 HD2 PRO 9 HD2 PRO 9 100.801 -18.525 15.640 72 HD3 PRO 9 HD1 PRO 9 99.911 -18.381 17.151 73 H ASP 10 HN ASP 10 99.189 -18.243 13.192 74 HA ASP 10 HA ASP 10 97.349 -17.253 11.034 75 HB2 ASP 10 HB2 ASP 10 99.886 -16.926 10.778 76 HB3 ASP 10 HB1 ASP 10 99.986 -18.678 10.625 77 H GLY 11 HN GLY 11 98.568 -19.946 12.814 78 HA2 GLY 11 HA2 GLY 11 97.281 -21.940 11.059 79 HA3 GLY 11 HA1 GLY 11 98.208 -22.277 12.515 80 H CYS 12 HN CYS 12 96.038 -19.781 13.097 81 HA CYS 12 HA CYS 12 93.689 -21.406 13.662 82 HB2 CYS 12 HB2 CYS 12 94.984 -22.182 15.524 83 HB3 CYS 12 HB1 CYS 12 95.530 -20.548 15.900 84 HG CYS 12 HG CYS 12 93.402 -20.105 17.112 85 H TYR 13 HN TYR 13 95.431 -18.355 14.188 86 HA TYR 13 HA TYR 13 94.652 -16.170 14.396 87 HB2 TYR 13 HB2 TYR 13 92.521 -17.458 12.670 88 HB3 TYR 13 HB1 TYR 13 92.427 -15.765 13.145 89 HD1 TYR 13 HD1 TYR 13 94.618 -14.351 12.764 90 HD2 TYR 13 HD2 TYR 13 93.705 -18.018 10.720 91 HE1 TYR 13 HE1 TYR 13 96.187 -13.731 10.947 92 HE2 TYR 13 HE2 TYR 13 95.275 -17.397 8.904 93 HH TYR 13 HH TYR 13 96.263 -15.335 7.957 94 H ALA 14 HN ALA 14 91.362 -17.255 14.287 95 HA ALA 14 HA ALA 14 90.672 -18.042 16.810 96 HB1 ALA 14 HB1 ALA 14 91.622 -16.359 18.094 97 HB2 ALA 14 HB2 ALA 14 90.076 -15.582 17.756 98 HB3 ALA 14 HB3 ALA 14 91.502 -15.171 16.800 99 H ASP 15 HN ASP 15 89.997 -15.606 14.367 100 HA ASP 15 HA ASP 15 87.329 -16.724 13.987 101 HB2 ASP 15 HB2 ASP 15 87.142 -15.102 15.945 102 HB3 ASP 15 HB1 ASP 15 87.521 -13.820 14.793 103 H GLY 16 HN GLY 16 90.048 -15.406 12.757 104 HA2 GLY 16 HA2 GLY 16 90.567 -14.739 10.555 105 HA3 GLY 16 HA1 GLY 16 88.861 -14.950 10.146 106 H THR 17 HN THR 17 90.116 -12.946 12.756 107 HA THR 17 HA THR 17 88.654 -10.631 11.627 108 HB THR 17 HB THR 17 88.420 -11.092 14.031 109 HG1 THR 17 HG1 THR 17 89.956 -8.881 14.279 110 HG21 THR 17 HG21 THR 17 91.315 -10.375 14.418 111 HG22 THR 17 HG22 THR 17 90.848 -12.051 14.134 112 HG23 THR 17 HG23 THR 17 90.219 -11.186 15.535 113 H TRP 18 HN TRP 18 89.655 -9.181 10.425 114 HA TRP 18 HA TRP 18 92.551 -8.600 10.830 115 HB2 TRP 18 HB2 TRP 18 92.213 -8.237 8.110 116 HB3 TRP 18 HB1 TRP 18 92.932 -9.663 8.839 117 HD1 TRP 18 HD1 TRP 18 89.491 -8.389 7.653 118 HE1 TRP 18 HE1 TRP 18 88.094 -10.427 6.917 119 HE3 TRP 18 HE3 TRP 18 92.690 -12.162 8.923 120 HZ2 TRP 18 HZ2 TRP 18 88.304 -13.277 6.870 121 HZ3 TRP 18 HZ3 TRP 18 92.067 -14.527 8.520 122 HH2 TRP 18 HH2 TRP 18 89.880 -15.089 7.496 123 H GLU 19 HN GLU 19 92.767 -6.454 11.208 124 HA GLU 19 HA GLU 19 90.496 -4.672 10.810 125 HB2 GLU 19 HB2 GLU 19 92.740 -3.052 11.400 126 HB3 GLU 19 HB1 GLU 19 91.541 -3.630 12.542 127 HG2 GLU 19 HG2 GLU 19 93.803 -4.217 13.278 128 HG3 GLU 19 HG1 GLU 19 92.874 -5.668 12.907 129 H LEU 20 HN LEU 20 90.124 -3.385 9.067 130 HA LEU 20 HA LEU 20 92.036 -3.506 6.833 131 HB2 LEU 20 HB2 LEU 20 89.217 -3.178 7.066 132 HB3 LEU 20 HB1 LEU 20 89.805 -1.657 6.413 133 HG LEU 20 HG LEU 20 89.283 -3.124 4.568 134 HD11 LEU 20 HD11 LEU 20 91.165 -2.747 3.338 135 HD12 LEU 20 HD12 LEU 20 92.252 -3.425 4.545 136 HD13 LEU 20 HD13 LEU 20 91.614 -1.792 4.749 137 HD21 LEU 20 HD21 LEU 20 89.717 -5.234 6.128 138 HD22 LEU 20 HD22 LEU 20 91.326 -5.166 5.413 139 HD23 LEU 20 HD23 LEU 20 89.914 -5.361 4.384 140 H SER 21 HN SER 21 93.415 -1.855 6.311 141 HA SER 21 HA SER 21 93.757 0.268 8.277 142 HB2 SER 21 HB2 SER 21 95.531 -1.002 6.753 143 HB3 SER 21 HB1 SER 21 95.169 0.313 5.638 144 HG SER 21 HG SER 21 96.108 1.684 6.953 145 H VAL 22 HN VAL 22 93.418 2.469 7.971 146 HA VAL 22 HA VAL 22 92.123 3.309 5.433 147 HB VAL 22 HB VAL 22 90.944 3.667 8.195 148 HG11 VAL 22 HG11 VAL 22 89.276 5.158 6.984 149 HG12 VAL 22 HG12 VAL 22 90.444 5.261 5.667 150 HG13 VAL 22 HG13 VAL 22 90.857 5.881 7.268 151 HG21 VAL 22 HG21 VAL 22 88.941 2.816 7.021 152 HG22 VAL 22 HG22 VAL 22 90.290 1.689 6.868 153 HG23 VAL 22 HG23 VAL 22 89.860 2.746 5.515 154 H HIS 23 HN HIS 23 93.600 4.665 4.692 155 HA HIS 23 HA HIS 23 95.138 6.445 6.439 156 HB2 HIS 23 HB2 HIS 23 94.914 5.929 3.483 157 HB3 HIS 23 HB1 HIS 23 95.749 7.378 4.044 158 HD1 HIS 23 HD1 HIS 23 98.198 6.910 3.999 159 HD2 HIS 23 HD2 HIS 23 96.041 3.612 5.359 160 HE1 HIS 23 HE1 HIS 23 99.904 5.144 4.620 161 H VAL 24 HN VAL 24 93.875 8.003 7.383 162 HA VAL 24 HA VAL 24 91.563 9.126 6.078 163 HB VAL 24 HB VAL 24 93.069 10.402 8.355 164 HG11 VAL 24 HG11 VAL 24 90.862 11.286 7.160 165 HG12 VAL 24 HG12 VAL 24 91.031 11.355 8.911 166 HG13 VAL 24 HG13 VAL 24 90.090 10.065 8.172 167 HG21 VAL 24 HG21 VAL 24 91.339 7.912 8.374 168 HG22 VAL 24 HG22 VAL 24 91.670 8.861 9.825 169 HG23 VAL 24 HG23 VAL 24 92.994 8.076 8.964 170 H THR 25 HN THR 25 92.042 10.194 4.155 171 HA THR 25 HA THR 25 94.335 11.987 3.951 172 HB THR 25 HB THR 25 93.906 11.949 1.704 173 HG1 THR 25 HG1 THR 25 92.114 12.809 0.907 174 HG21 THR 25 HG21 THR 25 93.303 9.604 2.402 175 HG22 THR 25 HG22 THR 25 92.543 10.126 0.898 176 HG23 THR 25 HG23 THR 25 91.611 10.099 2.395 177 H ASP 26 HN ASP 26 93.658 14.380 3.098 178 HA ASP 26 HA ASP 26 92.798 16.447 3.834 179 HB2 ASP 26 HB2 ASP 26 90.670 15.236 2.982 180 HB3 ASP 26 HB1 ASP 26 90.319 14.930 4.682 181 H LEU 27 HN LEU 27 93.717 14.047 5.714 182 HA LEU 27 HA LEU 27 93.640 15.643 8.179 183 HB2 LEU 27 HB2 LEU 27 92.132 13.119 7.760 184 HB3 LEU 27 HB1 LEU 27 93.075 13.158 9.244 185 HG LEU 27 HG LEU 27 91.305 15.500 8.505 186 HD11 LEU 27 HD11 LEU 27 89.954 13.347 8.470 187 HD12 LEU 27 HD12 LEU 27 89.437 14.542 9.655 188 HD13 LEU 27 HD13 LEU 27 90.386 13.150 10.170 189 HD21 LEU 27 HD21 LEU 27 91.409 15.993 10.827 190 HD22 LEU 27 HD22 LEU 27 93.049 15.502 10.404 191 HD23 LEU 27 HD23 LEU 27 91.977 14.374 11.230 192 H ASN 28 HN ASN 28 94.676 12.801 6.392 193 HA ASN 28 HA ASN 28 96.817 11.919 6.115 194 HB2 ASN 28 HB2 ASN 28 97.521 14.369 6.600 195 HB3 ASN 28 HB1 ASN 28 97.926 13.785 8.208 196 HD21 ASN 28 HD21 ASN 28 98.489 11.069 6.828 197 HD22 ASN 28 HD22 ASN 28 100.065 11.254 6.233 198 H ARG 29 HN ARG 29 94.867 11.340 8.545 199 HA ARG 29 HA ARG 29 96.859 10.161 10.384 200 HB2 ARG 29 HB2 ARG 29 93.846 9.993 10.482 201 HB3 ARG 29 HB1 ARG 29 94.969 9.531 11.757 202 HG2 ARG 29 HG2 ARG 29 95.717 11.808 12.023 203 HG3 ARG 29 HG1 ARG 29 94.777 12.325 10.627 204 HD2 ARG 29 HD2 ARG 29 93.391 12.928 12.426 205 HD3 ARG 29 HD1 ARG 29 92.740 11.363 11.941 206 HE ARG 29 HE ARG 29 94.801 11.154 13.995 207 HH11 ARG 29 HH11 ARG 29 94.079 10.460 16.024 208 HH12 ARG 29 HH12 ARG 29 92.382 10.462 16.371 209 HH21 ARG 29 HH21 ARG 29 91.478 11.684 13.253 210 HH22 ARG 29 HH22 ARG 29 90.908 11.155 14.801 211 H ASP 30 HN ASP 30 95.998 7.879 11.104 212 HA ASP 30 HA ASP 30 95.235 6.227 8.761 213 HB2 ASP 30 HB2 ASP 30 97.748 5.889 10.417 214 HB3 ASP 30 HB1 ASP 30 97.029 4.558 9.507 215 H VAL 31 HN VAL 31 93.523 5.145 9.439 216 HA VAL 31 HA VAL 31 93.399 4.275 12.315 217 HB VAL 31 HB VAL 31 91.091 4.864 10.462 218 HG11 VAL 31 HG11 VAL 31 91.346 4.327 13.428 219 HG12 VAL 31 HG12 VAL 31 90.498 3.345 12.234 220 HG13 VAL 31 HG13 VAL 31 89.873 4.935 12.674 221 HG21 VAL 31 HG21 VAL 31 92.437 6.917 10.928 222 HG22 VAL 31 HG22 VAL 31 92.273 6.605 12.656 223 HG23 VAL 31 HG23 VAL 31 90.848 6.984 11.691 224 H THR 32 HN THR 32 92.314 2.280 12.693 225 HA THR 32 HA THR 32 92.081 0.455 10.341 226 HB THR 32 HB THR 32 93.038 -1.055 12.594 227 HG1 THR 32 HG1 THR 32 95.120 0.115 12.713 228 HG21 THR 32 HG21 THR 32 93.453 -1.316 10.027 229 HG22 THR 32 HG22 THR 32 94.744 -1.760 11.141 230 HG23 THR 32 HG23 THR 32 94.799 -0.208 10.301 231 H LEU 33 HN LEU 33 90.262 -0.788 10.440 232 HA LEU 33 HA LEU 33 88.595 -0.637 12.924 233 HB2 LEU 33 HB2 LEU 33 87.977 -0.601 9.988 234 HB3 LEU 33 HB1 LEU 33 86.777 -1.248 11.088 235 HG LEU 33 HG LEU 33 86.536 1.213 10.546 236 HD11 LEU 33 HD11 LEU 33 85.703 1.740 12.644 237 HD12 LEU 33 HD12 LEU 33 87.027 0.954 13.501 238 HD13 LEU 33 HD13 LEU 33 85.768 -0.018 12.735 239 HD21 LEU 33 HD21 LEU 33 89.108 1.528 10.706 240 HD22 LEU 33 HD22 LEU 33 88.836 1.632 12.446 241 HD23 LEU 33 HD23 LEU 33 88.076 2.798 11.366 242 H ARG 34 HN ARG 34 88.710 -2.558 13.974 243 HA ARG 34 HA ARG 34 89.583 -5.007 12.919 244 HB2 ARG 34 HB2 ARG 34 89.047 -4.153 15.414 245 HB3 ARG 34 HB1 ARG 34 87.535 -4.961 15.108 246 HG2 ARG 34 HG2 ARG 34 89.020 -6.522 16.161 247 HG3 ARG 34 HG1 ARG 34 88.737 -7.013 14.490 248 HD2 ARG 34 HD2 ARG 34 91.199 -6.808 15.566 249 HD3 ARG 34 HD1 ARG 34 90.893 -6.616 13.866 250 HE ARG 34 HE ARG 34 91.318 -4.290 14.113 251 HH11 ARG 34 HH11 ARG 34 92.117 -2.547 15.308 252 HH12 ARG 34 HH12 ARG 34 92.260 -2.688 17.028 253 HH21 ARG 34 HH21 ARG 34 91.036 -5.929 17.131 254 HH22 ARG 34 HH22 ARG 34 91.649 -4.602 18.059 255 H VAL 35 HN VAL 35 88.599 -5.894 11.167 256 HA VAL 35 HA VAL 35 85.638 -6.326 11.275 257 HB VAL 35 HB VAL 35 85.597 -5.881 8.808 258 HG11 VAL 35 HG11 VAL 35 85.819 -3.367 9.063 259 HG12 VAL 35 HG12 VAL 35 86.443 -3.660 10.686 260 HG13 VAL 35 HG13 VAL 35 84.797 -4.143 10.273 261 HG21 VAL 35 HG21 VAL 35 88.398 -4.876 9.373 262 HG22 VAL 35 HG22 VAL 35 87.500 -4.543 7.894 263 HG23 VAL 35 HG23 VAL 35 87.947 -6.199 8.300 264 H THR 36 HN THR 36 85.267 -7.664 9.015 265 HA THR 36 HA THR 36 87.267 -9.844 8.822 266 HB THR 36 HB THR 36 85.288 -11.470 8.867 267 HG1 THR 36 HG1 THR 36 84.006 -9.186 9.140 268 HG21 THR 36 HG21 THR 36 86.734 -11.598 10.707 269 HG22 THR 36 HG22 THR 36 85.154 -11.336 11.442 270 HG23 THR 36 HG23 THR 36 86.287 -9.995 11.291 271 H GLY 37 HN GLY 37 86.423 -11.323 6.891 272 HA2 GLY 37 HA2 GLY 37 85.880 -9.483 4.692 273 HA3 GLY 37 HA1 GLY 37 86.207 -11.202 4.527 274 H GLU 38 HN GLU 38 83.767 -9.436 6.385 275 HA GLU 38 HA GLU 38 81.616 -10.467 4.656 276 HB2 GLU 38 HB2 GLU 38 80.405 -11.384 6.679 277 HB3 GLU 38 HB1 GLU 38 81.823 -12.309 6.189 278 HG2 GLU 38 HG2 GLU 38 83.150 -11.411 7.938 279 HG3 GLU 38 HG1 GLU 38 81.982 -10.133 8.274 280 H VAL 39 HN VAL 39 82.970 -7.962 6.295 281 HA VAL 39 HA VAL 39 80.479 -6.840 7.378 282 HB VAL 39 HB VAL 39 81.780 -5.094 8.241 283 HG11 VAL 39 HG11 VAL 39 83.800 -7.313 8.137 284 HG12 VAL 39 HG12 VAL 39 82.294 -7.484 9.037 285 HG13 VAL 39 HG13 VAL 39 83.438 -6.219 9.473 286 HG21 VAL 39 HG21 VAL 39 83.832 -5.795 6.129 287 HG22 VAL 39 HG22 VAL 39 84.161 -4.697 7.465 288 HG23 VAL 39 HG23 VAL 39 82.930 -4.284 6.280 289 H HIS 40 HN HIS 40 79.334 -5.152 6.463 290 HA HIS 40 HA HIS 40 79.633 -4.837 3.568 291 HB2 HIS 40 HB2 HIS 40 77.758 -2.930 4.754 292 HB3 HIS 40 HB1 HIS 40 77.422 -4.281 3.673 293 HD1 HIS 40 HD1 HIS 40 77.889 -3.520 7.362 294 HD2 HIS 40 HD2 HIS 40 76.294 -6.506 4.928 295 HE1 HIS 40 HE1 HIS 40 76.693 -5.136 8.902 296 H ILE 41 HN ILE 41 80.266 -2.888 2.504 297 HA ILE 41 HA ILE 41 82.365 -1.387 3.600 298 HB ILE 41 HB ILE 41 80.305 -0.537 1.545 299 HG12 ILE 41 HG12 ILE 41 83.146 -1.505 1.146 300 HG13 ILE 41 HG11 ILE 41 81.749 -2.580 1.116 301 HG21 ILE 41 HG21 ILE 41 81.302 1.489 2.241 302 HG22 ILE 41 HG22 ILE 41 82.261 1.005 0.843 303 HG23 ILE 41 HG23 ILE 41 82.881 0.736 2.473 304 HD11 ILE 41 HD11 ILE 41 80.893 -1.651 -0.830 305 HD12 ILE 41 HD12 ILE 41 82.626 -1.515 -1.130 306 HD13 ILE 41 HD13 ILE 41 81.711 -0.108 -0.588 307 H GLY 42 HN GLY 42 78.976 -0.343 3.302 308 HA2 GLY 42 HA2 GLY 42 79.203 2.028 4.827 309 HA3 GLY 42 HA1 GLY 42 77.712 1.108 4.644 310 H GLY 43 HN GLY 43 79.632 -1.165 5.722 311 HA2 GLY 43 HA2 GLY 43 78.663 -1.017 8.463 312 HA3 GLY 43 HA1 GLY 43 79.745 -2.251 7.805 313 H VAL 44 HN VAL 44 81.531 -0.195 6.708 314 HA VAL 44 HA VAL 44 83.175 0.250 9.109 315 HB VAL 44 HB VAL 44 83.523 0.360 6.127 316 HG11 VAL 44 HG11 VAL 44 85.184 2.008 8.059 317 HG12 VAL 44 HG12 VAL 44 84.356 2.568 6.606 318 HG13 VAL 44 HG13 VAL 44 85.768 1.521 6.469 319 HG21 VAL 44 HG21 VAL 44 84.188 -1.570 7.593 320 HG22 VAL 44 HG22 VAL 44 85.402 -0.521 8.331 321 HG23 VAL 44 HG23 VAL 44 85.504 -0.920 6.616 322 H MET 45 HN MET 45 81.413 2.168 6.667 323 HA MET 45 HA MET 45 82.116 4.777 7.425 324 HB2 MET 45 HB2 MET 45 79.464 3.582 6.591 325 HB3 MET 45 HB1 MET 45 79.621 5.305 6.907 326 HG2 MET 45 HG2 MET 45 81.655 5.120 5.217 327 HG3 MET 45 HG1 MET 45 80.804 3.678 4.676 328 HE1 MET 45 HE1 MET 45 77.320 4.979 3.625 329 HE2 MET 45 HE2 MET 45 77.928 4.047 4.982 330 HE3 MET 45 HE3 MET 45 78.499 3.686 3.352 331 H LEU 46 HN LEU 46 79.942 2.485 8.978 332 HA LEU 46 HA LEU 46 78.960 4.318 10.983 333 HB2 LEU 46 HB2 LEU 46 78.008 2.007 10.188 334 HB3 LEU 46 HB1 LEU 46 79.119 1.329 11.375 335 HG LEU 46 HG LEU 46 78.016 3.219 12.950 336 HD11 LEU 46 HD11 LEU 46 76.570 4.141 11.198 337 HD12 LEU 46 HD12 LEU 46 75.591 3.398 12.462 338 HD13 LEU 46 HD13 LEU 46 75.846 2.552 10.934 339 HD21 LEU 46 HD21 LEU 46 76.300 1.472 13.627 340 HD22 LEU 46 HD22 LEU 46 77.968 0.901 13.566 341 HD23 LEU 46 HD23 LEU 46 76.853 0.509 12.256 342 H LYS 47 HN LYS 47 81.075 1.459 11.437 343 HA LYS 47 HA LYS 47 81.954 2.102 14.020 344 HB2 LYS 47 HB2 LYS 47 83.707 0.778 11.942 345 HB3 LYS 47 HB1 LYS 47 83.762 0.570 13.692 346 HG2 LYS 47 HG2 LYS 47 81.567 -0.494 13.674 347 HG3 LYS 47 HG1 LYS 47 81.420 -0.208 11.941 348 HD2 LYS 47 HD2 LYS 47 83.476 -1.584 11.579 349 HD3 LYS 47 HD1 LYS 47 83.490 -1.953 13.302 350 HE2 LYS 47 HE2 LYS 47 81.046 -2.496 11.614 351 HE3 LYS 47 HE1 LYS 47 82.365 -3.663 11.719 352 HZ1 LYS 47 HZ1 LYS 47 80.566 -4.001 13.374 353 HZ2 LYS 47 HZ2 LYS 47 80.986 -2.515 14.082 354 HZ3 LYS 47 HZ3 LYS 47 82.102 -3.796 14.064 355 H LEU 48 HN LEU 48 83.748 2.814 10.980 356 HA LEU 48 HA LEU 48 85.888 4.198 12.058 357 HB2 LEU 48 HB2 LEU 48 84.958 3.820 9.520 358 HB3 LEU 48 HB1 LEU 48 84.604 5.527 9.700 359 HG LEU 48 HG LEU 48 87.299 5.132 10.684 360 HD11 LEU 48 HD11 LEU 48 87.112 3.017 9.246 361 HD12 LEU 48 HD12 LEU 48 88.449 4.105 8.897 362 HD13 LEU 48 HD13 LEU 48 87.021 4.101 7.862 363 HD21 LEU 48 HD21 LEU 48 86.199 6.388 8.163 364 HD22 LEU 48 HD22 LEU 48 87.876 6.539 8.697 365 HD23 LEU 48 HD23 LEU 48 86.569 7.204 9.684 366 H VAL 49 HN VAL 49 82.853 5.733 11.033 367 HA VAL 49 HA VAL 49 83.346 8.298 12.131 368 HB VAL 49 HB VAL 49 80.750 6.806 11.703 369 HG11 VAL 49 HG11 VAL 49 80.259 8.523 13.307 370 HG12 VAL 49 HG12 VAL 49 79.756 9.140 11.737 371 HG13 VAL 49 HG13 VAL 49 81.270 9.690 12.454 372 HG21 VAL 49 HG21 VAL 49 80.626 8.085 9.656 373 HG22 VAL 49 HG22 VAL 49 82.219 7.332 9.717 374 HG23 VAL 49 HG23 VAL 49 82.035 9.041 10.114 375 H GLU 50 HN GLU 50 81.629 5.515 13.636 376 HA GLU 50 HA GLU 50 80.838 6.635 16.046 377 HB2 GLU 50 HB2 GLU 50 82.025 3.918 15.476 378 HB3 GLU 50 HB1 GLU 50 81.493 4.355 17.093 379 HG2 GLU 50 HG2 GLU 50 79.726 4.558 14.644 380 HG3 GLU 50 HG1 GLU 50 79.755 3.158 15.711 381 H LYS 51 HN LYS 51 84.110 5.601 15.171 382 HA LYS 51 HA LYS 51 85.244 6.174 17.756 383 HB2 LYS 51 HB2 LYS 51 86.593 6.025 15.053 384 HB3 LYS 51 HB1 LYS 51 87.389 5.931 16.625 385 HG2 LYS 51 HG2 LYS 51 85.850 3.971 17.152 386 HG3 LYS 51 HG1 LYS 51 85.405 3.981 15.450 387 HD2 LYS 51 HD2 LYS 51 88.122 3.452 16.660 388 HD3 LYS 51 HD1 LYS 51 87.146 2.384 15.666 389 HE2 LYS 51 HE2 LYS 51 88.791 3.197 14.178 390 HE3 LYS 51 HE1 LYS 51 87.376 4.186 13.831 391 HZ1 LYS 51 HZ1 LYS 51 89.846 5.109 14.496 392 HZ2 LYS 51 HZ2 LYS 51 88.973 5.255 15.946 393 HZ3 LYS 51 HZ3 LYS 51 88.408 6.007 14.532 394 H LEU 52 HN LEU 52 84.502 8.091 14.931 395 HA LEU 52 HA LEU 52 86.160 10.347 15.726 396 HB2 LEU 52 HB2 LEU 52 85.281 9.611 13.334 397 HB3 LEU 52 HB1 LEU 52 83.868 10.554 13.785 398 HG LEU 52 HG LEU 52 85.650 12.383 14.442 399 HD11 LEU 52 HD11 LEU 52 87.649 11.040 14.121 400 HD12 LEU 52 HD12 LEU 52 87.619 12.304 12.896 401 HD13 LEU 52 HD13 LEU 52 87.168 10.655 12.471 402 HD21 LEU 52 HD21 LEU 52 85.156 11.782 11.510 403 HD22 LEU 52 HD22 LEU 52 85.467 13.362 12.226 404 HD23 LEU 52 HD23 LEU 52 83.958 12.521 12.571 405 H ASP 53 HN ASP 53 82.665 10.336 15.126 406 HA ASP 53 HA ASP 53 80.875 11.121 16.375 407 HB2 ASP 53 HB2 ASP 53 82.290 9.884 18.172 408 HB3 ASP 53 HB1 ASP 53 82.678 11.495 18.741 409 H VAL 54 HN VAL 54 80.990 12.984 15.032 410 HA VAL 54 HA VAL 54 81.188 15.431 16.532 411 HB VAL 54 HB VAL 54 83.527 15.203 16.288 412 HG11 VAL 54 HG11 VAL 54 83.594 13.430 14.683 413 HG12 VAL 54 HG12 VAL 54 84.539 14.769 14.027 414 HG13 VAL 54 HG13 VAL 54 82.908 14.461 13.426 415 HG21 VAL 54 HG21 VAL 54 82.502 17.441 15.587 416 HG22 VAL 54 HG22 VAL 54 82.738 16.922 13.918 417 HG23 VAL 54 HG23 VAL 54 84.129 17.128 14.982 418 H LYS 55 HN LYS 55 80.352 17.243 15.367 419 HA LYS 55 HA LYS 55 78.445 16.570 13.336 420 HB2 LYS 55 HB2 LYS 55 79.028 18.800 15.000 421 HB3 LYS 55 HB1 LYS 55 79.111 19.419 13.361 422 HG2 LYS 55 HG2 LYS 55 76.727 17.707 13.998 423 HG3 LYS 55 HG1 LYS 55 76.790 19.272 14.766 424 HD2 LYS 55 HD2 LYS 55 77.125 20.351 12.557 425 HD3 LYS 55 HD1 LYS 55 76.982 18.775 11.785 426 HE2 LYS 55 HE2 LYS 55 74.802 19.664 11.631 427 HE3 LYS 55 HE1 LYS 55 74.710 18.604 13.037 428 HZ1 LYS 55 HZ1 LYS 55 74.092 21.266 12.970 429 HZ2 LYS 55 HZ2 LYS 55 75.613 21.221 13.727 430 HZ3 LYS 55 HZ3 LYS 55 74.317 20.324 14.363 431 H LYS 56 HN LYS 56 81.241 15.870 12.638 432 HA LYS 56 HA LYS 56 82.053 17.715 10.531 433 HB2 LYS 56 HB2 LYS 56 83.568 16.114 11.887 434 HB3 LYS 56 HB1 LYS 56 82.959 14.842 10.832 435 HG2 LYS 56 HG2 LYS 56 83.832 15.945 8.874 436 HG3 LYS 56 HG1 LYS 56 84.239 17.389 9.802 437 HD2 LYS 56 HD2 LYS 56 85.877 16.124 11.112 438 HD3 LYS 56 HD1 LYS 56 85.443 14.644 10.258 439 HE2 LYS 56 HE2 LYS 56 86.416 17.089 8.777 440 HE3 LYS 56 HE1 LYS 56 87.540 15.901 9.436 441 HZ1 LYS 56 HZ1 LYS 56 86.340 15.742 7.019 442 HZ2 LYS 56 HZ2 LYS 56 85.356 14.737 7.972 443 HZ3 LYS 56 HZ3 LYS 56 87.024 14.436 7.857 444 H ASP 57 HN ASP 57 82.319 16.697 8.225 445 HA ASP 57 HA ASP 57 79.674 15.629 7.455 446 HB2 ASP 57 HB2 ASP 57 81.948 16.415 5.622 447 HB3 ASP 57 HB1 ASP 57 80.228 16.338 5.254 448 H TRP 58 HN TRP 58 79.909 13.417 8.118 449 HA TRP 58 HA TRP 58 82.173 11.829 7.209 450 HB2 TRP 58 HB2 TRP 58 79.492 10.732 8.034 451 HB3 TRP 58 HB1 TRP 58 81.065 9.984 8.199 452 HD1 TRP 58 HD1 TRP 58 82.680 12.118 9.764 453 HE1 TRP 58 HE1 TRP 58 82.007 12.744 12.186 454 HE3 TRP 58 HE3 TRP 58 77.809 10.639 9.734 455 HZ2 TRP 58 HZ2 TRP 58 79.690 12.620 13.873 456 HZ3 TRP 58 HZ3 TRP 58 76.386 10.900 11.745 457 HH2 TRP 58 HH2 TRP 58 77.323 11.893 13.815 458 H SER 59 HN SER 59 78.730 12.007 6.387 459 HA SER 59 HA SER 59 78.433 10.185 4.371 460 HB2 SER 59 HB2 SER 59 76.790 11.752 3.368 461 HB3 SER 59 HB1 SER 59 76.641 11.658 5.118 462 HG SER 59 HG SER 59 78.388 13.519 4.706 463 H ASP 60 HN ASP 60 79.521 13.543 3.779 464 HA ASP 60 HA ASP 60 80.118 13.263 1.047 465 HB2 ASP 60 HB2 ASP 60 80.233 15.441 2.079 466 HB3 ASP 60 HB1 ASP 60 81.471 14.897 3.211 467 H HIS 61 HN HIS 61 82.052 12.454 3.892 468 HA HIS 61 HA HIS 61 84.279 11.451 2.267 469 HB2 HIS 61 HB2 HIS 61 83.724 11.485 5.237 470 HB3 HIS 61 HB1 HIS 61 85.184 10.810 4.524 471 HD1 HIS 61 HD1 HIS 61 86.671 12.667 5.618 472 HD2 HIS 61 HD2 HIS 61 83.776 14.130 3.001 473 HE1 HIS 61 HE1 HIS 61 87.251 15.096 5.197 474 H ALA 62 HN ALA 62 84.349 9.477 1.469 475 HA ALA 62 HA ALA 62 82.923 7.244 2.869 476 HB1 ALA 62 HB1 ALA 62 82.596 6.369 0.433 477 HB2 ALA 62 HB2 ALA 62 82.874 8.047 -0.040 478 HB3 ALA 62 HB3 ALA 62 81.517 7.640 1.009 479 H LEU 63 HN LEU 63 83.860 5.073 1.681 480 HA LEU 63 HA LEU 63 86.812 5.374 1.925 481 HB2 LEU 63 HB2 LEU 63 85.217 2.816 1.658 482 HB3 LEU 63 HB1 LEU 63 86.898 2.975 2.140 483 HG LEU 63 HG LEU 63 85.604 2.624 4.118 484 HD11 LEU 63 HD11 LEU 63 86.350 4.427 5.431 485 HD12 LEU 63 HD12 LEU 63 86.092 5.594 4.136 486 HD13 LEU 63 HD13 LEU 63 87.431 4.449 4.037 487 HD21 LEU 63 HD21 LEU 63 83.571 3.570 4.614 488 HD22 LEU 63 HD22 LEU 63 83.477 3.753 2.866 489 HD23 LEU 63 HD23 LEU 63 83.972 5.115 3.870 490 H TRP 64 HN TRP 64 88.232 4.870 0.311 491 HA TRP 64 HA TRP 64 87.119 4.140 -2.386 492 HB2 TRP 64 HB2 TRP 64 87.732 6.189 -3.183 493 HB3 TRP 64 HB1 TRP 64 88.157 6.665 -1.564 494 HD1 TRP 64 HD1 TRP 64 90.845 5.346 -1.000 495 HE1 TRP 64 HE1 TRP 64 92.936 5.828 -2.416 496 HE3 TRP 64 HE3 TRP 64 88.641 7.129 -5.247 497 HZ2 TRP 64 HZ2 TRP 64 93.597 6.880 -4.989 498 HZ3 TRP 64 HZ3 TRP 64 90.028 7.887 -7.155 499 HH2 TRP 64 HH2 TRP 64 92.501 7.768 -7.031 500 H TRP 65 HN TRP 65 88.617 2.929 -3.705 501 HA TRP 65 HA TRP 65 90.815 1.646 -2.120 502 HB2 TRP 65 HB2 TRP 65 88.847 0.244 -3.012 503 HB3 TRP 65 HB1 TRP 65 89.534 0.512 -4.611 504 HD1 TRP 65 HD1 TRP 65 92.537 0.403 -2.745 505 HE1 TRP 65 HE1 TRP 65 93.533 -1.954 -2.563 506 HE3 TRP 65 HE3 TRP 65 88.461 -2.386 -4.066 507 HZ2 TRP 65 HZ2 TRP 65 92.727 -4.670 -2.940 508 HZ3 TRP 65 HZ3 TRP 65 88.613 -4.857 -4.147 509 HH2 TRP 65 HH2 TRP 65 90.738 -6.001 -3.586 510 H GLU 66 HN GLU 66 92.505 3.095 -2.684 511 HA GLU 66 HA GLU 66 92.959 4.204 -5.236 512 HB2 GLU 66 HB2 GLU 66 95.372 4.340 -4.517 513 HB3 GLU 66 HB1 GLU 66 94.209 5.028 -3.392 514 HG2 GLU 66 HG2 GLU 66 94.228 2.896 -2.109 515 HG3 GLU 66 HG1 GLU 66 95.457 2.284 -3.210 516 H LYS 67 HN LYS 67 93.519 0.917 -4.167 517 HA LYS 67 HA LYS 67 95.432 0.280 -6.252 518 HB2 LYS 67 HB2 LYS 67 93.420 -1.630 -5.031 519 HB3 LYS 67 HB1 LYS 67 94.954 -2.043 -5.788 520 HG2 LYS 67 HG2 LYS 67 94.620 -0.469 -3.222 521 HG3 LYS 67 HG1 LYS 67 95.125 -2.152 -3.340 522 HD2 LYS 67 HD2 LYS 67 97.020 -1.266 -4.866 523 HD3 LYS 67 HD1 LYS 67 96.608 0.321 -4.213 524 HE2 LYS 67 HE2 LYS 67 98.239 -0.380 -2.693 525 HE3 LYS 67 HE1 LYS 67 96.767 -0.925 -1.884 526 HZ1 LYS 67 HZ1 LYS 67 97.074 -3.105 -2.882 527 HZ2 LYS 67 HZ2 LYS 67 98.429 -2.670 -1.954 528 HZ3 LYS 67 HZ3 LYS 67 98.493 -2.580 -3.649 529 H LYS 68 HN LYS 68 92.243 1.178 -6.167 530 HA LYS 68 HA LYS 68 91.720 0.212 -8.938 531 HB2 LYS 68 HB2 LYS 68 89.472 0.521 -6.955 532 HB3 LYS 68 HB1 LYS 68 89.558 -0.500 -8.387 533 HG2 LYS 68 HG2 LYS 68 91.291 -1.021 -5.947 534 HG3 LYS 68 HG1 LYS 68 89.678 -1.682 -6.117 535 HD2 LYS 68 HD2 LYS 68 90.253 -2.935 -8.043 536 HD3 LYS 68 HD1 LYS 68 91.746 -2.028 -8.279 537 HE2 LYS 68 HE2 LYS 68 92.874 -3.192 -6.628 538 HE3 LYS 68 HE1 LYS 68 91.418 -3.512 -5.690 539 HZ1 LYS 68 HZ1 LYS 68 92.549 -5.395 -7.055 540 HZ2 LYS 68 HZ2 LYS 68 91.696 -4.712 -8.356 541 HZ3 LYS 68 HZ3 LYS 68 90.857 -5.286 -6.995 542 H ARG 69 HN ARG 69 91.870 2.781 -6.693 543 HA ARG 69 HA ARG 69 91.203 5.027 -6.815 544 HB2 ARG 69 HB2 ARG 69 91.443 4.315 -9.759 545 HB3 ARG 69 HB1 ARG 69 91.043 5.935 -9.211 546 HG2 ARG 69 HG2 ARG 69 93.360 6.107 -9.412 547 HG3 ARG 69 HG1 ARG 69 93.214 5.658 -7.717 548 HD2 ARG 69 HD2 ARG 69 94.885 4.221 -8.621 549 HD3 ARG 69 HD1 ARG 69 93.431 3.239 -8.485 550 HE ARG 69 HE ARG 69 93.300 4.250 -11.059 551 HH11 ARG 69 HH11 ARG 69 94.194 3.167 -12.831 552 HH12 ARG 69 HH12 ARG 69 95.505 2.063 -12.583 553 HH21 ARG 69 HH21 ARG 69 95.611 2.548 -9.151 554 HH22 ARG 69 HH22 ARG 69 96.307 1.712 -10.499 555 H THR 70 HN THR 70 89.206 3.250 -6.234 556 HA THR 70 HA THR 70 86.874 4.132 -7.914 557 HB THR 70 HB THR 70 87.493 1.651 -7.660 558 HG1 THR 70 HG1 THR 70 85.518 1.997 -8.420 559 HG21 THR 70 HG21 THR 70 87.816 2.015 -5.094 560 HG22 THR 70 HG22 THR 70 87.085 0.516 -5.666 561 HG23 THR 70 HG23 THR 70 86.066 1.808 -5.031 562 H TRP 71 HN TRP 71 84.835 3.720 -6.350 563 HA TRP 71 HA TRP 71 85.293 5.171 -3.786 564 HB2 TRP 71 HB2 TRP 71 82.764 5.934 -4.402 565 HB3 TRP 71 HB1 TRP 71 84.167 6.884 -4.863 566 HD1 TRP 71 HD1 TRP 71 82.201 3.907 -6.408 567 HE1 TRP 71 HE1 TRP 71 82.038 4.284 -8.907 568 HE3 TRP 71 HE3 TRP 71 84.804 8.279 -6.792 569 HZ2 TRP 71 HZ2 TRP 71 82.886 6.193 -10.875 570 HZ3 TRP 71 HZ3 TRP 71 85.110 9.356 -9.003 571 HH2 TRP 71 HH2 TRP 71 84.155 8.320 -11.044 572 H LEU 72 HN LEU 72 85.112 3.433 -2.464 573 HA LEU 72 HA LEU 72 83.567 1.147 -3.061 574 HB2 LEU 72 HB2 LEU 72 84.475 2.181 -0.383 575 HB3 LEU 72 HB1 LEU 72 83.950 0.533 -0.706 576 HG LEU 72 HG LEU 72 86.188 1.864 -2.242 577 HD11 LEU 72 HD11 LEU 72 87.754 0.648 -0.778 578 HD12 LEU 72 HD12 LEU 72 86.397 0.141 0.231 579 HD13 LEU 72 HD13 LEU 72 86.815 1.850 0.107 580 HD21 LEU 72 HD21 LEU 72 85.097 -0.933 -2.033 581 HD22 LEU 72 HD22 LEU 72 86.797 -0.695 -2.426 582 HD23 LEU 72 HD23 LEU 72 85.551 -0.012 -3.469 583 H LEU 73 HN LEU 73 81.580 1.886 -3.736 584 HA LEU 73 HA LEU 73 79.678 2.668 -1.555 585 HB2 LEU 73 HB2 LEU 73 78.268 3.714 -3.350 586 HB3 LEU 73 HB1 LEU 73 79.805 4.529 -3.097 587 HG LEU 73 HG LEU 73 80.599 2.857 -5.054 588 HD11 LEU 73 HD11 LEU 73 77.626 3.230 -5.537 589 HD12 LEU 73 HD12 LEU 73 78.478 1.698 -5.376 590 HD13 LEU 73 HD13 LEU 73 78.778 2.727 -6.773 591 HD21 LEU 73 HD21 LEU 73 80.751 5.281 -5.206 592 HD22 LEU 73 HD22 LEU 73 79.014 5.413 -5.442 593 HD23 LEU 73 HD23 LEU 73 80.019 4.672 -6.686 594 H LYS 74 HN LYS 74 80.733 0.117 -3.090 595 HA LYS 74 HA LYS 74 78.185 -0.994 -4.071 596 HB2 LYS 74 HB2 LYS 74 81.006 -1.579 -4.416 597 HB3 LYS 74 HB1 LYS 74 80.190 -3.030 -3.896 598 HG2 LYS 74 HG2 LYS 74 80.196 -2.913 -6.343 599 HG3 LYS 74 HG1 LYS 74 78.554 -2.819 -5.725 600 HD2 LYS 74 HD2 LYS 74 79.170 -1.201 -7.615 601 HD3 LYS 74 HD1 LYS 74 78.397 -0.486 -6.215 602 HE2 LYS 74 HE2 LYS 74 80.430 0.443 -5.431 603 HE3 LYS 74 HE1 LYS 74 81.391 -0.621 -6.446 604 HZ1 LYS 74 HZ1 LYS 74 80.714 1.909 -7.070 605 HZ2 LYS 74 HZ2 LYS 74 79.537 1.017 -7.909 606 HZ3 LYS 74 HZ3 LYS 74 81.188 0.728 -8.191 607 H THR 75 HN THR 75 78.276 -0.201 -1.316 608 HA THR 75 HA THR 75 78.842 -2.122 0.593 609 HB THR 75 HB THR 75 76.256 -0.542 0.529 610 HG1 THR 75 HG1 THR 75 78.669 0.374 0.308 611 HG21 THR 75 HG21 THR 75 76.132 -1.860 2.448 612 HG22 THR 75 HG22 THR 75 76.975 -0.443 3.067 613 HG23 THR 75 HG23 THR 75 77.881 -1.895 2.668 614 H HIS 76 HN HIS 76 76.667 -2.468 -2.022 615 HA HIS 76 HA HIS 76 74.774 -4.297 -0.902 616 HB2 HIS 76 HB2 HIS 76 75.856 -4.251 -3.737 617 HB3 HIS 76 HB1 HIS 76 74.337 -4.974 -3.208 618 HD1 HIS 76 HD1 HIS 76 75.943 -1.529 -2.747 619 HD2 HIS 76 HD2 HIS 76 72.285 -3.241 -3.779 620 HE1 HIS 76 HE1 HIS 76 74.348 0.392 -3.170 621 H TRP 77 HN TRP 77 78.079 -4.675 -2.000 622 HA TRP 77 HA TRP 77 77.928 -7.638 -1.631 623 HB2 TRP 77 HB2 TRP 77 80.088 -5.885 -2.835 624 HB3 TRP 77 HB1 TRP 77 80.119 -7.634 -2.755 625 HD1 TRP 77 HD1 TRP 77 79.249 -4.984 -5.007 626 HE1 TRP 77 HE1 TRP 77 77.716 -5.820 -6.868 627 HE3 TRP 77 HE3 TRP 77 77.820 -9.481 -3.057 628 HZ2 TRP 77 HZ2 TRP 77 76.074 -8.079 -7.491 629 HZ3 TRP 77 HZ3 TRP 77 76.268 -10.954 -4.307 630 HH2 TRP 77 HH2 TRP 77 75.394 -10.260 -6.521 631 H THR 78 HN THR 78 80.778 -7.878 -1.112 632 HA THR 78 HA THR 78 81.169 -6.383 1.422 633 HB THR 78 HB THR 78 81.832 -9.239 1.788 634 HG1 THR 78 HG1 THR 78 79.303 -9.402 2.074 635 HG21 THR 78 HG21 THR 78 80.235 -7.161 3.295 636 HG22 THR 78 HG22 THR 78 81.735 -7.976 3.759 637 HG23 THR 78 HG23 THR 78 80.206 -8.858 3.762 638 H LEU 79 HN LEU 79 83.347 -6.977 2.324 639 HA LEU 79 HA LEU 79 85.451 -6.249 0.659 640 HB2 LEU 79 HB2 LEU 79 85.382 -7.978 3.124 641 HB3 LEU 79 HB1 LEU 79 86.902 -7.537 2.365 642 HG LEU 79 HG LEU 79 86.426 -5.164 2.738 643 HD11 LEU 79 HD11 LEU 79 84.035 -5.057 2.537 644 HD12 LEU 79 HD12 LEU 79 84.415 -4.607 4.198 645 HD13 LEU 79 HD13 LEU 79 83.820 -6.225 3.843 646 HD21 LEU 79 HD21 LEU 79 86.232 -5.287 5.324 647 HD22 LEU 79 HD22 LEU 79 87.572 -6.154 4.570 648 HD23 LEU 79 HD23 LEU 79 86.141 -7.038 5.104 649 H ASP 80 HN ASP 80 84.853 -9.524 1.851 650 HA ASP 80 HA ASP 80 86.598 -11.016 0.307 651 HB2 ASP 80 HB2 ASP 80 85.037 -11.861 2.062 652 HB3 ASP 80 HB1 ASP 80 83.720 -11.741 0.892 653 H LYS 81 HN LYS 81 83.264 -10.197 -0.545 654 HA LYS 81 HA LYS 81 83.019 -11.373 -3.014 655 HB2 LYS 81 HB2 LYS 81 82.159 -8.523 -2.643 656 HB3 LYS 81 HB1 LYS 81 81.327 -9.813 -3.506 657 HG2 LYS 81 HG2 LYS 81 81.643 -9.500 -0.521 658 HG3 LYS 81 HG1 LYS 81 80.147 -9.472 -1.439 659 HD2 LYS 81 HD2 LYS 81 80.589 -11.845 -2.109 660 HD3 LYS 81 HD1 LYS 81 81.947 -11.855 -0.991 661 HE2 LYS 81 HE2 LYS 81 80.580 -11.681 0.897 662 HE3 LYS 81 HE1 LYS 81 79.231 -11.002 -0.013 663 HZ1 LYS 81 HZ1 LYS 81 79.379 -13.310 -1.218 664 HZ2 LYS 81 HZ2 LYS 81 78.521 -13.132 0.237 665 HZ3 LYS 81 HZ3 LYS 81 80.087 -13.789 0.247 666 H TYR 82 HN TYR 82 84.274 -8.083 -2.487 667 HA TYR 82 HA TYR 82 85.191 -7.889 -5.237 668 HB2 TYR 82 HB2 TYR 82 84.653 -6.039 -3.327 669 HB3 TYR 82 HB1 TYR 82 86.398 -6.119 -3.151 670 HD1 TYR 82 HD1 TYR 82 83.941 -4.294 -4.713 671 HD2 TYR 82 HD2 TYR 82 87.578 -6.368 -5.673 672 HE1 TYR 82 HE1 TYR 82 84.215 -2.884 -6.733 673 HE2 TYR 82 HE2 TYR 82 87.850 -4.959 -7.691 674 HH TYR 82 HH TYR 82 86.835 -3.478 -9.046 675 H GLY 83 HN GLY 83 86.760 -8.583 -2.118 676 HA2 GLY 83 HA2 GLY 83 88.553 -10.366 -2.247 677 HA3 GLY 83 HA1 GLY 83 89.205 -9.483 -3.628 678 H ILE 84 HN ILE 84 87.941 -7.343 -1.392 679 HA ILE 84 HA ILE 84 90.468 -6.180 -0.764 680 HB ILE 84 HB ILE 84 87.791 -5.916 0.636 681 HG12 ILE 84 HG12 ILE 84 89.029 -3.920 -1.265 682 HG13 ILE 84 HG11 ILE 84 88.136 -5.299 -1.894 683 HG21 ILE 84 HG21 ILE 84 90.345 -4.291 0.796 684 HG22 ILE 84 HG22 ILE 84 89.508 -5.108 2.116 685 HG23 ILE 84 HG23 ILE 84 88.785 -3.695 1.358 686 HD11 ILE 84 HD11 ILE 84 86.826 -3.103 -1.455 687 HD12 ILE 84 HD12 ILE 84 86.943 -3.546 0.248 688 HD13 ILE 84 HD13 ILE 84 86.118 -4.616 -0.888 689 H GLN 85 HN GLN 85 91.407 -6.025 1.426 690 HA GLN 85 HA GLN 85 90.711 -7.875 3.508 691 HB2 GLN 85 HB2 GLN 85 91.890 -9.218 1.482 692 HB3 GLN 85 HB1 GLN 85 93.343 -8.647 2.290 693 HG2 GLN 85 HG2 GLN 85 93.019 -10.640 3.447 694 HG3 GLN 85 HG1 GLN 85 92.081 -9.551 4.466 695 HE21 GLN 85 HE21 GLN 85 89.786 -9.220 2.859 696 HE22 GLN 85 HE22 GLN 85 88.980 -10.701 2.737 697 H ALA 86 HN ALA 86 93.227 -8.182 4.687 698 HA ALA 86 HA ALA 86 93.691 -5.523 5.716 699 HB1 ALA 86 HB1 ALA 86 94.943 -8.226 6.095 700 HB2 ALA 86 HB2 ALA 86 94.109 -7.220 7.278 701 HB3 ALA 86 HB3 ALA 86 95.742 -6.801 6.762 702 H ASP 87 HN ASP 87 95.086 -7.418 3.157 703 HA ASP 87 HA ASP 87 97.564 -5.902 3.020 704 HB2 ASP 87 HB2 ASP 87 97.802 -7.045 0.807 705 HB3 ASP 87 HB1 ASP 87 97.488 -8.171 2.130 706 H ALA 88 HN ALA 88 94.356 -5.318 2.198 707 HA ALA 88 HA ALA 88 95.024 -3.381 0.033 708 HB1 ALA 88 HB1 ALA 88 93.165 -4.597 -0.655 709 HB2 ALA 88 HB2 ALA 88 92.357 -3.263 0.168 710 HB3 ALA 88 HB3 ALA 88 92.584 -4.809 0.990 711 H LYS 89 HN LYS 89 95.558 -1.375 0.824 712 HA LYS 89 HA LYS 89 94.377 -0.481 3.400 713 HB2 LYS 89 HB2 LYS 89 96.345 1.129 1.784 714 HB3 LYS 89 HB1 LYS 89 96.079 1.126 3.526 715 HG2 LYS 89 HG2 LYS 89 97.195 -1.247 2.007 716 HG3 LYS 89 HG1 LYS 89 98.188 -0.020 2.763 717 HD2 LYS 89 HD2 LYS 89 97.586 -0.640 4.934 718 HD3 LYS 89 HD1 LYS 89 96.097 -1.414 4.407 719 HE2 LYS 89 HE2 LYS 89 97.818 -3.075 5.050 720 HE3 LYS 89 HE1 LYS 89 97.346 -3.208 3.355 721 HZ1 LYS 89 HZ1 LYS 89 99.377 -2.651 2.675 722 HZ2 LYS 89 HZ2 LYS 89 99.887 -2.962 4.266 723 HZ3 LYS 89 HZ3 LYS 89 99.510 -1.377 3.786 724 H LEU 90 HN LEU 90 92.573 0.586 3.357 725 HA LEU 90 HA LEU 90 91.729 2.051 0.920 726 HB2 LEU 90 HB2 LEU 90 90.096 1.758 3.431 727 HB3 LEU 90 HB1 LEU 90 89.540 1.983 1.774 728 HG LEU 90 HG LEU 90 90.861 -0.476 2.925 729 HD11 LEU 90 HD11 LEU 90 88.665 -1.509 2.194 730 HD12 LEU 90 HD12 LEU 90 88.079 0.127 1.896 731 HD13 LEU 90 HD13 LEU 90 88.532 -0.363 3.528 732 HD21 LEU 90 HD21 LEU 90 90.139 0.289 0.090 733 HD22 LEU 90 HD22 LEU 90 90.302 -1.398 0.585 734 HD23 LEU 90 HD23 LEU 90 91.684 -0.310 0.699 735 H GLN 91 HN GLN 91 90.459 4.148 1.545 736 HA GLN 91 HA GLN 91 91.985 5.744 3.560 737 HB2 GLN 91 HB2 GLN 91 91.114 6.781 0.847 738 HB3 GLN 91 HB1 GLN 91 92.136 7.602 2.022 739 HG2 GLN 91 HG2 GLN 91 94.003 6.292 1.508 740 HG3 GLN 91 HG1 GLN 91 93.043 4.970 0.883 741 HE21 GLN 91 HE21 GLN 91 91.948 8.003 -0.182 742 HE22 GLN 91 HE22 GLN 91 92.630 7.953 -1.727 743 H PHE 92 HN PHE 92 90.729 7.820 4.040 744 HA PHE 92 HA PHE 92 87.769 7.429 3.708 745 HB2 PHE 92 HB2 PHE 92 88.197 6.924 5.994 746 HB3 PHE 92 HB1 PHE 92 89.363 8.220 6.158 747 HD1 PHE 92 HD1 PHE 92 85.792 7.352 5.975 748 HD2 PHE 92 HD2 PHE 92 88.622 10.544 6.464 749 HE1 PHE 92 HE1 PHE 92 83.981 8.835 6.791 750 HE2 PHE 92 HE2 PHE 92 86.813 12.025 7.283 751 HZ PHE 92 HZ PHE 92 84.491 11.172 7.446 752 H THR 93 HN THR 93 87.518 8.883 2.049 753 HA THR 93 HA THR 93 88.123 11.740 2.661 754 HB THR 93 HB THR 93 90.020 11.479 1.371 755 HG1 THR 93 HG1 THR 93 89.067 11.382 -1.026 756 HG21 THR 93 HG21 THR 93 90.239 9.712 -0.391 757 HG22 THR 93 HG22 THR 93 88.609 9.172 0.012 758 HG23 THR 93 HG23 THR 93 89.896 9.061 1.211 759 HA PRO 94 HA PRO 94 84.370 13.217 0.824 760 HB2 PRO 94 HB2 PRO 94 86.157 14.041 -1.454 761 HB3 PRO 94 HB1 PRO 94 84.829 14.941 -0.692 762 HG2 PRO 94 HG2 PRO 94 87.428 15.370 -0.064 763 HG3 PRO 94 HG1 PRO 94 86.111 15.582 1.102 764 HD2 PRO 94 HD2 PRO 94 88.226 13.561 1.124 765 HD3 PRO 94 HD1 PRO 94 87.016 13.900 2.367 766 H TYR 541 HT1 TYR 541 48.561 35.407 2.662 767 HA TYR 541 HA TYR 541 49.534 36.904 0.365 768 HB2 TYR 541 HB2 TYR 541 48.466 37.505 3.131 769 HB3 TYR 541 HB1 TYR 541 49.101 38.765 2.072 770 HD1 TYR 541 HD1 TYR 541 46.693 35.888 2.043 771 HD2 TYR 541 HD2 TYR 541 47.654 39.794 0.535 772 HE1 TYR 541 HE1 TYR 541 44.529 35.955 0.835 773 HE2 TYR 541 HE2 TYR 541 45.489 39.860 -0.671 774 HH TYR 541 HH TYR 541 43.648 38.747 -1.202 775 H HIS 542 HN HIS 542 50.358 37.557 3.732 776 HA HIS 542 HA HIS 542 52.991 38.379 3.185 777 HB2 HIS 542 HB2 HIS 542 52.301 37.058 5.803 778 HB3 HIS 542 HB1 HIS 542 53.282 38.489 5.503 779 HD1 HIS 542 HD1 HIS 542 49.739 37.362 5.897 780 HD2 HIS 542 HD2 HIS 542 51.792 40.898 5.085 781 HE1 HIS 542 HE1 HIS 542 48.055 39.239 6.134 782 H GLU 543 HN GLU 543 54.898 37.096 4.446 783 HA GLU 543 HA GLU 543 54.777 34.190 4.078 784 HB2 GLU 543 HB2 GLU 543 56.736 34.258 2.441 785 HB3 GLU 543 HB1 GLU 543 55.170 34.742 1.786 786 HG2 GLU 543 HG2 GLU 543 55.721 37.045 1.851 787 HG3 GLU 543 HG1 GLU 543 57.080 36.778 2.945 788 H ARG 544 HN ARG 544 55.938 36.828 5.682 789 HA ARG 544 HA ARG 544 58.644 35.922 6.234 790 HB2 ARG 544 HB2 ARG 544 56.859 38.000 7.536 791 HB3 ARG 544 HB1 ARG 544 58.497 37.669 8.075 792 HG2 ARG 544 HG2 ARG 544 58.922 39.407 6.594 793 HG3 ARG 544 HG1 ARG 544 59.082 38.040 5.499 794 HD2 ARG 544 HD2 ARG 544 57.590 39.258 4.241 795 HD3 ARG 544 HD1 ARG 544 56.408 38.487 5.294 796 HE ARG 544 HE ARG 544 57.125 40.766 6.686 797 HH11 ARG 544 HH11 ARG 544 56.051 42.739 6.421 798 HH12 ARG 544 HH12 ARG 544 55.220 43.065 4.938 799 HH21 ARG 544 HH21 ARG 544 56.037 40.018 3.501 800 HH22 ARG 544 HH22 ARG 544 55.212 41.525 3.284 801 H ARG 545 HN ARG 545 55.586 34.901 7.270 802 HA ARG 545 HA ARG 545 56.587 33.959 9.910 803 HB2 ARG 545 HB2 ARG 545 54.058 33.130 9.941 804 HB3 ARG 545 HB1 ARG 545 54.439 34.818 10.224 805 HG2 ARG 545 HG2 ARG 545 52.589 34.509 8.585 806 HG3 ARG 545 HG1 ARG 545 53.968 35.361 7.916 807 HD2 ARG 545 HD2 ARG 545 54.659 33.511 6.635 808 HD3 ARG 545 HD1 ARG 545 53.738 32.384 7.617 809 HE ARG 545 HE ARG 545 51.813 34.046 6.499 810 HH11 ARG 545 HH11 ARG 545 50.821 33.593 4.518 811 HH12 ARG 545 HH12 ARG 545 51.627 32.570 3.376 812 HH21 ARG 545 HH21 ARG 545 54.403 32.059 5.390 813 HH22 ARG 545 HH22 ARG 545 53.654 31.701 3.870 814 H GLY 546 HN GLY 546 54.839 31.603 9.874 815 HA2 GLY 546 HA2 GLY 546 55.089 29.848 7.753 816 HA3 GLY 546 HA1 GLY 546 56.668 29.777 8.535 817 H SER 547 HN SER 547 56.803 28.935 10.690 818 HA SER 547 HA SER 547 54.470 28.009 12.133 819 HB2 SER 547 HB2 SER 547 55.913 26.162 10.269 820 HB3 SER 547 HB1 SER 547 55.387 25.511 11.819 821 HG SER 547 HG SER 547 53.613 25.264 10.642 822 H LEU 548 HN LEU 548 55.225 28.223 14.214 823 HA LEU 548 HA LEU 548 57.966 28.537 14.821 824 HB2 LEU 548 HB2 LEU 548 55.450 28.258 16.351 825 HB3 LEU 548 HB1 LEU 548 56.885 27.758 17.238 826 HG LEU 548 HG LEU 548 57.936 29.983 16.560 827 HD11 LEU 548 HD11 LEU 548 56.647 30.701 14.728 828 HD12 LEU 548 HD12 LEU 548 56.138 31.758 16.037 829 HD13 LEU 548 HD13 LEU 548 55.125 30.398 15.558 830 HD21 LEU 548 HD21 LEU 548 56.959 31.161 18.353 831 HD22 LEU 548 HD22 LEU 548 56.773 29.462 18.786 832 HD23 LEU 548 HD23 LEU 548 55.402 30.362 18.140 833 H CYS 549 HN CYS 549 59.587 27.143 15.353 834 HA CYS 549 HA CYS 549 59.061 24.263 15.010 835 HB2 CYS 549 HB2 CYS 549 61.123 24.917 14.058 836 HB3 CYS 549 HB1 CYS 549 61.487 26.019 15.371 837 H SER 550 HN SER 550 58.002 23.498 16.768 838 HA SER 550 HA SER 550 58.036 24.501 19.363 839 HB2 SER 550 HB2 SER 550 56.371 22.920 18.847 840 HB3 SER 550 HB1 SER 550 57.543 21.682 18.408 841 HG SER 550 HG SER 550 56.628 22.487 20.881 842 H GLY 551 HN GLY 551 59.437 24.589 20.896 843 HA2 GLY 551 HA2 GLY 551 61.173 23.530 22.325 844 HA3 GLY 551 HA1 GLY 551 61.834 22.788 20.861 845 H CYS 552 HN CYS 552 61.374 25.050 19.205 846 HA CYS 552 HA CYS 552 63.569 26.860 20.118 847 HB2 CYS 552 HB2 CYS 552 62.468 25.969 17.460 848 HB3 CYS 552 HB1 CYS 552 63.349 27.482 17.579 849 H GLN 553 HN GLN 553 60.309 26.610 18.853 850 HA GLN 553 HA GLN 553 58.607 28.116 18.644 851 HB2 GLN 553 HB2 GLN 553 59.973 29.317 21.036 852 HB3 GLN 553 HB1 GLN 553 58.381 29.806 20.451 853 HG2 GLN 553 HG2 GLN 553 59.109 26.963 21.157 854 HG3 GLN 553 HG1 GLN 553 58.303 28.060 22.260 855 HE21 GLN 553 HE21 GLN 553 57.937 26.336 19.188 856 HE22 GLN 553 HE22 GLN 553 56.241 26.402 19.145 857 H LYS 554 HN LYS 554 60.154 28.475 16.779 858 HA LYS 554 HA LYS 554 60.270 31.400 16.342 859 HB2 LYS 554 HB2 LYS 554 62.505 29.480 15.633 860 HB3 LYS 554 HB1 LYS 554 62.430 31.157 15.109 861 HG2 LYS 554 HG2 LYS 554 62.442 30.281 18.008 862 HG3 LYS 554 HG1 LYS 554 63.877 30.797 17.129 863 HD2 LYS 554 HD2 LYS 554 62.449 32.946 16.599 864 HD3 LYS 554 HD1 LYS 554 61.490 32.423 17.982 865 HE2 LYS 554 HE2 LYS 554 63.099 33.854 18.937 866 HE3 LYS 554 HE1 LYS 554 63.752 32.243 19.231 867 HZ1 LYS 554 HZ1 LYS 554 64.890 32.627 16.954 868 HZ2 LYS 554 HZ2 LYS 554 65.549 33.338 18.349 869 HZ3 LYS 554 HZ3 LYS 554 64.612 34.268 17.280 870 HA PRO 555 HA PRO 555 57.730 29.837 12.925 871 HB2 PRO 555 HB2 PRO 555 58.881 32.123 11.426 872 HB3 PRO 555 HB1 PRO 555 57.189 31.667 11.657 873 HG2 PRO 555 HG2 PRO 555 58.401 33.739 13.003 874 HG3 PRO 555 HG1 PRO 555 57.011 32.848 13.633 875 HD2 PRO 555 HD2 PRO 555 59.799 32.821 14.597 876 HD3 PRO 555 HD1 PRO 555 58.339 32.185 15.394 877 H ILE 556 HN ILE 556 58.093 28.381 11.429 878 HA ILE 556 HA ILE 556 60.837 27.918 10.412 879 HB ILE 556 HB ILE 556 58.255 26.318 10.335 880 HG12 ILE 556 HG12 ILE 556 60.827 25.477 11.671 881 HG13 ILE 556 HG11 ILE 556 59.772 26.601 12.501 882 HG21 ILE 556 HG21 ILE 556 59.802 24.496 9.505 883 HG22 ILE 556 HG22 ILE 556 60.986 25.756 9.177 884 HG23 ILE 556 HG23 ILE 556 59.432 25.764 8.342 885 HD11 ILE 556 HD11 ILE 556 58.165 25.006 12.902 886 HD12 ILE 556 HD12 ILE 556 59.521 23.902 12.707 887 HD13 ILE 556 HD13 ILE 556 58.429 24.194 11.357 888 H THR 557 HN THR 557 61.069 29.444 8.732 889 HA THR 557 HA THR 557 58.885 29.673 6.723 890 HB THR 557 HB THR 557 59.832 31.730 6.121 891 HG1 THR 557 HG1 THR 557 61.911 31.411 5.754 892 HG21 THR 557 HG21 THR 557 60.012 32.900 8.184 893 HG22 THR 557 HG22 THR 557 60.693 31.494 9.004 894 HG23 THR 557 HG23 THR 557 58.992 31.504 8.541 895 H GLY 558 HN GLY 558 59.164 27.757 5.589 896 HA2 GLY 558 HA2 GLY 558 60.475 27.659 3.220 897 HA3 GLY 558 HA1 GLY 558 61.726 27.087 4.331 898 H ARG 559 HN ARG 559 61.523 25.081 5.248 899 HA ARG 559 HA ARG 559 59.222 23.380 4.368 900 HB2 ARG 559 HB2 ARG 559 62.165 22.867 4.766 901 HB3 ARG 559 HB1 ARG 559 61.039 21.538 5.041 902 HG2 ARG 559 HG2 ARG 559 60.826 23.169 2.519 903 HG3 ARG 559 HG1 ARG 559 62.061 21.927 2.637 904 HD2 ARG 559 HD2 ARG 559 60.491 20.197 2.871 905 HD3 ARG 559 HD1 ARG 559 59.198 21.285 3.355 906 HE ARG 559 HE ARG 559 59.864 20.443 0.672 907 HH11 ARG 559 HH11 ARG 559 59.158 21.538 -1.147 908 HH12 ARG 559 HH12 ARG 559 58.503 23.133 -0.987 909 HH21 ARG 559 HH21 ARG 559 58.902 23.244 2.451 910 HH22 ARG 559 HH22 ARG 559 58.360 24.097 1.045 911 H CYS 560 HN CYS 560 58.337 21.982 6.041 912 HA CYS 560 HA CYS 560 59.343 22.457 8.785 913 HB2 CYS 560 HB2 CYS 560 57.077 22.978 9.620 914 HB3 CYS 560 HB1 CYS 560 57.691 24.212 8.515 915 HG CYS 560 HG CYS 560 56.065 22.117 7.026 916 H ILE 561 HN ILE 561 59.442 20.696 9.882 917 HA ILE 561 HA ILE 561 58.040 18.280 8.937 918 HB ILE 561 HB ILE 561 60.081 18.764 11.130 919 HG12 ILE 561 HG12 ILE 561 60.210 17.594 8.354 920 HG13 ILE 561 HG11 ILE 561 60.926 19.111 8.873 921 HG21 ILE 561 HG21 ILE 561 58.569 16.777 11.557 922 HG22 ILE 561 HG22 ILE 561 60.260 16.351 11.313 923 HG23 ILE 561 HG23 ILE 561 59.099 16.124 10.005 924 HD11 ILE 561 HD11 ILE 561 61.699 16.318 9.733 925 HD12 ILE 561 HD12 ILE 561 62.249 17.776 10.563 926 HD13 ILE 561 HD13 ILE 561 62.697 17.502 8.880 927 H THR 562 HN THR 562 56.578 17.234 10.197 928 HA THR 562 HA THR 562 55.523 18.700 12.579 929 HB THR 562 HB THR 562 53.835 16.945 10.813 930 HG1 THR 562 HG1 THR 562 54.865 19.321 10.229 931 HG21 THR 562 HG21 THR 562 52.009 17.993 11.957 932 HG22 THR 562 HG22 THR 562 53.076 19.203 12.670 933 HG23 THR 562 HG23 THR 562 53.172 17.522 13.199 934 H ALA 563 HN ALA 563 54.913 17.505 14.316 935 HA ALA 563 HA ALA 563 55.707 14.622 14.306 936 HB1 ALA 563 HB1 ALA 563 56.590 14.945 16.529 937 HB2 ALA 563 HB2 ALA 563 55.975 16.600 16.574 938 HB3 ALA 563 HB3 ALA 563 57.292 16.180 15.474 939 H MET 564 HN MET 564 54.794 15.162 17.276 940 HA MET 564 HA MET 564 52.241 13.880 17.060 941 HB2 MET 564 HB2 MET 564 53.101 15.505 19.442 942 HB3 MET 564 HB1 MET 564 52.226 13.972 19.402 943 HG2 MET 564 HG2 MET 564 54.381 12.993 18.353 944 HG3 MET 564 HG1 MET 564 55.156 14.476 18.907 945 HE1 MET 564 HE1 MET 564 56.000 11.299 21.182 946 HE2 MET 564 HE2 MET 564 56.154 11.895 19.531 947 HE3 MET 564 HE3 MET 564 54.797 10.857 19.961 948 H ALA 565 HN ALA 565 52.669 16.422 15.671 949 HA ALA 565 HA ALA 565 50.888 17.888 14.913 950 HB1 ALA 565 HB1 ALA 565 50.285 18.387 17.841 951 HB2 ALA 565 HB2 ALA 565 49.373 17.235 16.857 952 HB3 ALA 565 HB3 ALA 565 49.374 18.945 16.442 953 H LYS 566 HN LYS 566 53.515 17.888 16.958 954 HA LYS 566 HA LYS 566 53.813 20.808 17.171 955 HB2 LYS 566 HB2 LYS 566 55.349 18.380 17.995 956 HB3 LYS 566 HB1 LYS 566 56.294 19.840 17.733 957 HG2 LYS 566 HG2 LYS 566 55.118 21.042 19.396 958 HG3 LYS 566 HG1 LYS 566 53.812 19.860 19.451 959 HD2 LYS 566 HD2 LYS 566 56.608 18.943 20.092 960 HD3 LYS 566 HD1 LYS 566 55.724 19.861 21.303 961 HE2 LYS 566 HE2 LYS 566 54.072 18.213 21.541 962 HE3 LYS 566 HE1 LYS 566 54.369 17.539 19.933 963 HZ1 LYS 566 HZ1 LYS 566 55.217 16.162 21.800 964 HZ2 LYS 566 HZ2 LYS 566 56.316 17.403 22.174 965 HZ3 LYS 566 HZ3 LYS 566 56.409 16.603 20.678 966 H LYS 567 HN LYS 567 55.639 21.919 16.099 967 HA LYS 567 HA LYS 567 56.149 20.798 13.376 968 HB2 LYS 567 HB2 LYS 567 56.773 23.615 14.181 969 HB3 LYS 567 HB1 LYS 567 56.328 22.998 12.603 970 HG2 LYS 567 HG2 LYS 567 54.480 23.250 15.001 971 HG3 LYS 567 HG1 LYS 567 54.471 24.279 13.579 972 HD2 LYS 567 HD2 LYS 567 53.920 21.280 13.541 973 HD3 LYS 567 HD1 LYS 567 52.695 22.546 13.474 974 HE2 LYS 567 HE2 LYS 567 54.033 23.441 11.430 975 HE3 LYS 567 HE1 LYS 567 54.765 21.839 11.412 976 HZ1 LYS 567 HZ1 LYS 567 52.211 22.626 10.509 977 HZ2 LYS 567 HZ2 LYS 567 52.045 21.459 11.733 978 HZ3 LYS 567 HZ3 LYS 567 52.977 21.121 10.354 979 H PHE 568 HN PHE 568 58.487 21.593 12.568 980 HA PHE 568 HA PHE 568 60.442 21.711 14.767 981 HB2 PHE 568 HB2 PHE 568 59.738 19.167 13.408 982 HB3 PHE 568 HB1 PHE 568 61.461 19.460 13.485 983 HD1 PHE 568 HD1 PHE 568 62.500 19.987 15.765 984 HD2 PHE 568 HD2 PHE 568 58.513 18.449 15.318 985 HE1 PHE 568 HE1 PHE 568 62.507 19.276 18.141 986 HE2 PHE 568 HE2 PHE 568 58.521 17.738 17.693 987 HZ PHE 568 HZ PHE 568 60.518 18.151 19.105 988 H HIS 569 HN HIS 569 62.249 22.737 14.058 989 HA HIS 569 HA HIS 569 62.496 23.837 11.464 990 HB2 HIS 569 HB2 HIS 569 64.437 23.213 13.659 991 HB3 HIS 569 HB1 HIS 569 65.070 23.732 12.109 992 HD2 HIS 569 HD2 HIS 569 63.566 26.321 11.313 993 HE1 HIS 569 HE1 HIS 569 63.729 27.539 15.343 994 HA PRO 570 HA PRO 570 63.058 19.714 9.550 995 HB2 PRO 570 HB2 PRO 570 64.213 21.338 7.324 996 HB3 PRO 570 HB1 PRO 570 62.929 20.119 7.278 997 HG2 PRO 570 HG2 PRO 570 62.439 22.807 7.088 998 HG3 PRO 570 HG1 PRO 570 61.275 21.653 7.750 999 HD2 PRO 570 HD2 PRO 570 62.865 23.705 9.176 1000 HD3 PRO 570 HD1 PRO 570 61.391 22.859 9.699 1001 H GLU 571 HN GLU 571 65.327 22.138 10.323 1002 HA GLU 571 HA GLU 571 67.711 20.573 9.590 1003 HB2 GLU 571 HB2 GLU 571 67.746 23.124 11.188 1004 HB3 GLU 571 HB1 GLU 571 68.936 22.516 10.038 1005 HG2 GLU 571 HG2 GLU 571 67.158 22.773 8.244 1006 HG3 GLU 571 HG1 GLU 571 66.203 23.644 9.448 1007 H HIS 572 HN HIS 572 66.317 22.008 12.526 1008 HA HIS 572 HA HIS 572 68.155 20.773 14.331 1009 HB2 HIS 572 HB2 HIS 572 65.290 21.576 14.948 1010 HB3 HIS 572 HB1 HIS 572 66.620 21.445 16.098 1011 HD2 HIS 572 HD2 HIS 572 68.706 22.947 13.752 1012 HE1 HIS 572 HE1 HIS 572 66.438 26.347 14.760 1013 H PHE 573 HN PHE 573 65.971 19.290 12.358 1014 HA PHE 573 HA PHE 573 66.002 16.839 14.088 1015 HB2 PHE 573 HB2 PHE 573 63.710 18.123 13.835 1016 HB3 PHE 573 HB1 PHE 573 63.712 17.410 12.231 1017 HD1 PHE 573 HD1 PHE 573 63.615 16.707 15.846 1018 HD2 PHE 573 HD2 PHE 573 63.471 15.010 11.903 1019 HE1 PHE 573 HE1 PHE 573 62.819 14.561 16.800 1020 HE2 PHE 573 HE2 PHE 573 62.675 12.863 12.857 1021 HZ PHE 573 HZ PHE 573 62.349 12.638 15.305 1022 H VAL 574 HN VAL 574 67.993 17.078 12.464 1023 HA VAL 574 HA VAL 574 67.382 16.113 9.751 1024 HB VAL 574 HB VAL 574 69.854 16.323 9.439 1025 HG11 VAL 574 HG11 VAL 574 67.907 18.446 9.974 1026 HG12 VAL 574 HG12 VAL 574 69.078 18.314 8.677 1027 HG13 VAL 574 HG13 VAL 574 69.565 18.999 10.210 1028 HG21 VAL 574 HG21 VAL 574 71.164 17.407 11.207 1029 HG22 VAL 574 HG22 VAL 574 70.430 15.936 11.848 1030 HG23 VAL 574 HG23 VAL 574 69.731 17.521 12.239 1031 H CYS 575 HN CYS 575 69.104 14.438 8.949 1032 HA CYS 575 HA CYS 575 68.818 11.999 10.575 1033 HB2 CYS 575 HB2 CYS 575 68.654 11.163 8.465 1034 HB3 CYS 575 HB1 CYS 575 69.257 12.673 7.785 1035 H ALA 576 HN ALA 576 70.635 10.833 11.514 1036 HA ALA 576 HA ALA 576 73.051 12.605 11.757 1037 HB1 ALA 576 HB1 ALA 576 73.696 10.709 13.433 1038 HB2 ALA 576 HB2 ALA 576 72.017 10.193 13.259 1039 HB3 ALA 576 HB3 ALA 576 72.384 11.804 13.873 1040 H PHE 577 HN PHE 577 73.504 12.106 9.480 1041 HA PHE 577 HA PHE 577 75.612 10.106 9.240 1042 HB2 PHE 577 HB2 PHE 577 73.748 8.768 8.335 1043 HB3 PHE 577 HB1 PHE 577 73.270 10.095 7.293 1044 HD1 PHE 577 HD1 PHE 577 76.017 7.640 7.953 1045 HD2 PHE 577 HD2 PHE 577 74.307 10.459 5.192 1046 HE1 PHE 577 HE1 PHE 577 77.541 6.832 6.185 1047 HE2 PHE 577 HE2 PHE 577 75.835 9.637 3.422 1048 HZ PHE 577 HZ PHE 577 77.453 7.829 3.918 1049 H CYS 578 HN CYS 578 73.425 12.237 7.672 1050 HA CYS 578 HA CYS 578 75.554 14.143 6.848 1051 HB2 CYS 578 HB2 CYS 578 74.226 14.594 4.799 1052 HB3 CYS 578 HB1 CYS 578 74.737 12.914 4.831 1053 H LEU 579 HN LEU 579 74.912 15.033 8.920 1054 HA LEU 579 HA LEU 579 72.386 15.625 9.865 1055 HB2 LEU 579 HB2 LEU 579 74.892 17.290 10.154 1056 HB3 LEU 579 HB1 LEU 579 73.488 17.374 11.210 1057 HG LEU 579 HG LEU 579 74.384 14.590 10.938 1058 HD11 LEU 579 HD11 LEU 579 76.428 16.548 12.021 1059 HD12 LEU 579 HD12 LEU 579 76.601 15.589 10.555 1060 HD13 LEU 579 HD13 LEU 579 76.528 14.793 12.126 1061 HD21 LEU 579 HD21 LEU 579 74.201 14.578 13.304 1062 HD22 LEU 579 HD22 LEU 579 72.967 15.719 12.774 1063 HD23 LEU 579 HD23 LEU 579 74.496 16.312 13.424 1064 H LYS 580 HN LYS 580 72.909 16.647 6.820 1065 HA LYS 580 HA LYS 580 72.206 19.486 7.282 1066 HB2 LYS 580 HB2 LYS 580 72.738 19.868 5.073 1067 HB3 LYS 580 HB1 LYS 580 73.675 18.411 5.343 1068 HG2 LYS 580 HG2 LYS 580 70.883 18.407 4.117 1069 HG3 LYS 580 HG1 LYS 580 72.373 18.432 3.190 1070 HD2 LYS 580 HD2 LYS 580 72.996 16.286 3.846 1071 HD3 LYS 580 HD1 LYS 580 71.982 16.319 5.284 1072 HE2 LYS 580 HE2 LYS 580 71.209 14.917 3.209 1073 HE3 LYS 580 HE1 LYS 580 70.033 15.892 4.091 1074 HZ1 LYS 580 HZ1 LYS 580 71.475 16.712 1.629 1075 HZ2 LYS 580 HZ2 LYS 580 70.371 17.676 2.489 1076 HZ3 LYS 580 HZ3 LYS 580 69.844 16.256 1.719 1077 H GLN 581 HN GLN 581 70.395 16.568 6.102 1078 HA GLN 581 HA GLN 581 67.979 18.014 6.840 1079 HB2 GLN 581 HB2 GLN 581 68.529 18.900 4.582 1080 HB3 GLN 581 HB1 GLN 581 68.188 17.298 3.935 1081 HG2 GLN 581 HG2 GLN 581 66.142 18.498 3.742 1082 HG3 GLN 581 HG1 GLN 581 65.927 17.485 5.156 1083 HE21 GLN 581 HE21 GLN 581 66.348 18.573 7.311 1084 HE22 GLN 581 HE22 GLN 581 66.033 20.228 7.436 1085 H LEU 582 HN LEU 582 66.262 16.844 7.268 1086 HA LEU 582 HA LEU 582 66.108 14.028 6.346 1087 HB2 LEU 582 HB2 LEU 582 67.063 14.229 8.682 1088 HB3 LEU 582 HB1 LEU 582 65.513 14.878 9.181 1089 HG LEU 582 HG LEU 582 64.415 12.786 8.482 1090 HD11 LEU 582 HD11 LEU 582 66.370 10.882 8.128 1091 HD12 LEU 582 HD12 LEU 582 67.079 12.263 7.298 1092 HD13 LEU 582 HD13 LEU 582 65.501 11.667 6.812 1093 HD21 LEU 582 HD21 LEU 582 65.806 11.259 10.144 1094 HD22 LEU 582 HD22 LEU 582 64.941 12.675 10.736 1095 HD23 LEU 582 HD23 LEU 582 66.676 12.760 10.461 1096 H ASN 583 HN ASN 583 63.824 13.164 6.836 1097 HA ASN 583 HA ASN 583 61.745 15.283 6.959 1098 HB2 ASN 583 HB2 ASN 583 62.302 13.513 4.577 1099 HB3 ASN 583 HB1 ASN 583 60.668 14.090 4.889 1100 HD21 ASN 583 HD21 ASN 583 61.848 14.945 2.563 1101 HD22 ASN 583 HD22 ASN 583 62.290 16.574 2.687 1102 H LYS 584 HN LYS 584 60.024 14.546 8.114 1103 HA LYS 584 HA LYS 584 59.979 12.101 9.492 1104 HB2 LYS 584 HB2 LYS 584 57.507 12.527 9.699 1105 HB3 LYS 584 HB1 LYS 584 58.511 13.899 10.166 1106 HG2 LYS 584 HG2 LYS 584 58.239 14.888 7.926 1107 HG3 LYS 584 HG1 LYS 584 57.252 13.520 7.430 1108 HD2 LYS 584 HD2 LYS 584 56.599 15.595 9.537 1109 HD3 LYS 584 HD1 LYS 584 55.777 15.344 8.002 1110 HE2 LYS 584 HE2 LYS 584 55.337 12.930 8.930 1111 HE3 LYS 584 HE1 LYS 584 55.678 13.672 10.497 1112 HZ1 LYS 584 HZ1 LYS 584 53.600 14.500 8.545 1113 HZ2 LYS 584 HZ2 LYS 584 53.992 15.371 9.949 1114 HZ3 LYS 584 HZ3 LYS 584 53.346 13.805 10.072 1115 H GLY 585 HN GLY 585 59.149 12.805 6.220 1116 HA2 GLY 585 HA2 GLY 585 57.560 10.368 5.842 1117 HA3 GLY 585 HA1 GLY 585 58.007 11.527 4.592 1118 H THR 586 HN THR 586 60.813 11.316 5.785 1119 HA THR 586 HA THR 586 61.597 8.652 4.684 1120 HB THR 586 HB THR 586 63.119 9.556 3.175 1121 HG1 THR 586 HG1 THR 586 63.262 11.532 5.103 1122 HG21 THR 586 HG21 THR 586 61.128 11.833 3.373 1123 HG22 THR 586 HG22 THR 586 60.766 10.279 2.621 1124 HG23 THR 586 HG23 THR 586 62.018 11.319 1.937 1125 H PHE 587 HN PHE 587 61.352 9.871 7.418 1126 HA PHE 587 HA PHE 587 64.195 10.063 8.241 1127 HB2 PHE 587 HB2 PHE 587 63.488 10.890 10.296 1128 HB3 PHE 587 HB1 PHE 587 62.271 11.511 9.203 1129 HD1 PHE 587 HD1 PHE 587 62.507 10.392 12.358 1130 HD2 PHE 587 HD2 PHE 587 60.429 9.318 8.756 1131 HE1 PHE 587 HE1 PHE 587 60.742 9.288 13.701 1132 HE2 PHE 587 HE2 PHE 587 58.666 8.218 10.099 1133 HZ PHE 587 HZ PHE 587 58.821 8.201 12.572 1134 H LYS 588 HN LYS 588 65.221 8.231 8.381 1135 HA LYS 588 HA LYS 588 63.903 5.799 9.484 1136 HB2 LYS 588 HB2 LYS 588 65.554 6.257 7.238 1137 HB3 LYS 588 HB1 LYS 588 66.619 5.521 8.394 1138 HG2 LYS 588 HG2 LYS 588 65.499 3.898 6.839 1139 HG3 LYS 588 HG1 LYS 588 65.296 3.543 8.539 1140 HD2 LYS 588 HD2 LYS 588 63.256 3.339 6.902 1141 HD3 LYS 588 HD1 LYS 588 63.016 4.008 8.497 1142 HE2 LYS 588 HE2 LYS 588 62.665 6.160 7.669 1143 HE3 LYS 588 HE1 LYS 588 63.663 5.887 6.259 1144 HZ1 LYS 588 HZ1 LYS 588 61.728 5.643 5.218 1145 HZ2 LYS 588 HZ2 LYS 588 60.867 5.365 6.656 1146 HZ3 LYS 588 HZ3 LYS 588 61.711 4.094 5.908 1147 H GLU 589 HN GLU 589 65.433 4.475 10.943 1148 HA GLU 589 HA GLU 589 67.432 6.110 12.372 1149 HB2 GLU 589 HB2 GLU 589 65.651 6.885 13.663 1150 HB3 GLU 589 HB1 GLU 589 64.764 5.371 13.557 1151 HG2 GLU 589 HG2 GLU 589 66.232 4.314 15.135 1152 HG3 GLU 589 HG1 GLU 589 67.395 5.642 15.052 1153 H GLN 590 HN GLN 590 68.649 4.930 13.836 1154 HA GLN 590 HA GLN 590 68.323 2.074 14.153 1155 HB2 GLN 590 HB2 GLN 590 69.590 2.675 11.849 1156 HB3 GLN 590 HB1 GLN 590 70.964 2.836 12.935 1157 HG2 GLN 590 HG2 GLN 590 70.151 0.516 13.879 1158 HG3 GLN 590 HG1 GLN 590 69.294 0.429 12.376 1159 HE21 GLN 590 HE21 GLN 590 70.577 -1.205 11.355 1160 HE22 GLN 590 HE22 GLN 590 72.210 -0.967 10.961 1161 H ASN 591 HN ASN 591 69.614 1.383 15.908 1162 HA ASN 591 HA ASN 591 70.642 1.758 17.986 1163 HB2 ASN 591 HB2 ASN 591 72.680 3.643 17.224 1164 HB3 ASN 591 HB1 ASN 591 72.853 1.913 17.443 1165 HD21 ASN 591 HD21 ASN 591 71.380 0.918 15.336 1166 HD22 ASN 591 HD22 ASN 591 71.993 1.429 13.838 1167 H ASP 592 HN ASP 592 68.510 3.722 17.000 1168 HA ASP 592 HA ASP 592 67.364 5.442 18.133 1169 HB2 ASP 592 HB2 ASP 592 69.813 6.113 19.746 1170 HB3 ASP 592 HB1 ASP 592 68.114 6.283 20.181 1171 H LYS 593 HN LYS 593 70.136 5.687 16.321 1172 HA LYS 593 HA LYS 593 70.319 8.619 16.372 1173 HB2 LYS 593 HB2 LYS 593 71.713 6.655 14.576 1174 HB3 LYS 593 HB1 LYS 593 72.183 8.314 14.909 1175 HG2 LYS 593 HG2 LYS 593 72.298 7.527 17.394 1176 HG3 LYS 593 HG1 LYS 593 72.348 5.906 16.705 1177 HD2 LYS 593 HD2 LYS 593 74.304 6.527 15.341 1178 HD3 LYS 593 HD1 LYS 593 74.260 8.159 16.010 1179 HE2 LYS 593 HE2 LYS 593 74.447 5.761 17.835 1180 HE3 LYS 593 HE1 LYS 593 75.893 6.420 17.070 1181 HZ1 LYS 593 HZ1 LYS 593 74.851 8.652 17.967 1182 HZ2 LYS 593 HZ2 LYS 593 75.852 7.679 18.936 1183 HZ3 LYS 593 HZ3 LYS 593 74.163 7.601 19.106 1184 HA PRO 594 HA PRO 594 67.067 8.707 13.131 1185 HB2 PRO 594 HB2 PRO 594 68.354 11.341 12.590 1186 HB3 PRO 594 HB1 PRO 594 66.649 10.965 12.830 1187 HG2 PRO 594 HG2 PRO 594 68.153 12.204 14.713 1188 HG3 PRO 594 HG1 PRO 594 66.825 11.112 15.134 1189 HD2 PRO 594 HD2 PRO 594 69.761 10.663 15.377 1190 HD3 PRO 594 HD1 PRO 594 68.424 9.880 16.252 1191 H TYR 595 HN TYR 595 67.145 8.943 10.680 1192 HA TYR 595 HA TYR 595 69.732 9.089 9.351 1193 HB2 TYR 595 HB2 TYR 595 68.482 6.411 9.942 1194 HB3 TYR 595 HB1 TYR 595 69.460 6.623 8.503 1195 HD1 TYR 595 HD1 TYR 595 69.597 5.462 11.761 1196 HD2 TYR 595 HD2 TYR 595 71.753 7.984 9.048 1197 HE1 TYR 595 HE1 TYR 595 71.685 5.024 13.014 1198 HE2 TYR 595 HE2 TYR 595 73.846 7.554 10.315 1199 HH TYR 595 HH TYR 595 74.760 6.554 12.061 1200 H CYS 596 HN CYS 596 69.374 9.468 7.140 1201 HA CYS 596 HA CYS 596 66.615 9.466 6.144 1202 HB2 CYS 596 HB2 CYS 596 69.087 9.431 4.387 1203 HB3 CYS 596 HB1 CYS 596 67.508 10.111 4.028 1204 H GLN 597 HN GLN 597 65.878 7.792 4.556 1205 HA GLN 597 HA GLN 597 66.719 5.198 5.351 1206 HB2 GLN 597 HB2 GLN 597 64.607 5.163 4.345 1207 HB3 GLN 597 HB1 GLN 597 65.073 6.293 3.104 1208 HG2 GLN 597 HG2 GLN 597 64.901 4.321 1.876 1209 HG3 GLN 597 HG1 GLN 597 66.603 4.308 2.282 1210 HE21 GLN 597 HE21 GLN 597 66.088 3.634 5.140 1211 HE22 GLN 597 HE22 GLN 597 65.619 2.023 5.158 1212 H ASN 598 HN ASN 598 67.398 6.983 2.356 1213 HA ASN 598 HA ASN 598 69.263 5.328 1.162 1214 HB2 ASN 598 HB2 ASN 598 69.839 8.274 1.317 1215 HB3 ASN 598 HB1 ASN 598 69.933 7.195 -0.070 1216 HD21 ASN 598 HD21 ASN 598 67.508 6.021 -0.199 1217 HD22 ASN 598 HD22 ASN 598 66.274 7.167 -0.366 1218 H CYS 599 HN CYS 599 69.660 7.198 4.089 1219 HA CYS 599 HA CYS 599 72.572 6.843 4.119 1220 HB2 CYS 599 HB2 CYS 599 70.602 7.955 6.132 1221 HB3 CYS 599 HB1 CYS 599 72.332 7.836 6.430 1222 H PHE 600 HN PHE 600 70.009 5.893 6.450 1223 HA PHE 600 HA PHE 600 71.510 3.980 7.850 1224 HB2 PHE 600 HB2 PHE 600 69.471 4.348 8.888 1225 HB3 PHE 600 HB1 PHE 600 68.596 4.452 7.366 1226 HD1 PHE 600 HD1 PHE 600 70.259 2.050 9.696 1227 HD2 PHE 600 HD2 PHE 600 67.413 2.578 6.523 1228 HE1 PHE 600 HE1 PHE 600 69.500 -0.294 9.985 1229 HE2 PHE 600 HE2 PHE 600 66.655 0.235 6.811 1230 HZ PHE 600 HZ PHE 600 67.699 -1.201 8.543 1231 H LEU 601 HN LEU 601 69.274 3.312 5.129 1232 HA LEU 601 HA LEU 601 69.802 0.598 4.845 1233 HB2 LEU 601 HB2 LEU 601 68.410 0.878 3.069 1234 HB3 LEU 601 HB1 LEU 601 68.478 2.605 3.367 1235 HG LEU 601 HG LEU 601 70.493 2.716 1.860 1236 HD11 LEU 601 HD11 LEU 601 70.042 0.279 0.377 1237 HD12 LEU 601 HD12 LEU 601 70.344 -0.147 2.059 1238 HD13 LEU 601 HD13 LEU 601 71.514 0.826 1.174 1239 HD21 LEU 601 HD21 LEU 601 69.178 2.476 -0.218 1240 HD22 LEU 601 HD22 LEU 601 68.239 3.259 1.050 1241 HD23 LEU 601 HD23 LEU 601 67.957 1.563 0.667 1242 H LYS 602 HN LYS 602 71.720 3.315 3.580 1243 HA LYS 602 HA LYS 602 73.593 1.774 2.122 1244 HB2 LYS 602 HB2 LYS 602 73.431 4.275 2.077 1245 HB3 LYS 602 HB1 LYS 602 74.200 4.309 3.654 1246 HG2 LYS 602 HG2 LYS 602 75.834 4.694 1.884 1247 HG3 LYS 602 HG1 LYS 602 76.179 3.175 2.702 1248 HD2 LYS 602 HD2 LYS 602 75.515 1.882 0.871 1249 HD3 LYS 602 HD1 LYS 602 74.439 3.133 0.246 1250 HE2 LYS 602 HE2 LYS 602 76.499 2.840 -1.138 1251 HE3 LYS 602 HE1 LYS 602 76.351 4.466 -0.473 1252 HZ1 LYS 602 HZ1 LYS 602 78.393 2.554 -0.057 1253 HZ2 LYS 602 HZ2 LYS 602 77.682 2.973 1.429 1254 HZ3 LYS 602 HZ3 LYS 602 78.337 4.179 0.427 1255 H LEU 603 HN LEU 603 73.184 2.062 5.546 1256 HA LEU 603 HA LEU 603 75.936 1.146 6.108 1257 HB2 LEU 603 HB2 LEU 603 73.746 1.348 8.159 1258 HB3 LEU 603 HB1 LEU 603 75.483 1.592 8.359 1259 HG LEU 603 HG LEU 603 73.548 3.394 6.894 1260 HD11 LEU 603 HD11 LEU 603 75.354 4.064 9.213 1261 HD12 LEU 603 HD12 LEU 603 73.725 3.430 9.455 1262 HD13 LEU 603 HD13 LEU 603 73.959 4.963 8.617 1263 HD21 LEU 603 HD21 LEU 603 76.566 3.385 7.048 1264 HD22 LEU 603 HD22 LEU 603 75.663 4.863 6.713 1265 HD23 LEU 603 HD23 LEU 603 75.549 3.493 5.612 1266 H PHE 604 HN PHE 604 72.659 -0.092 6.860 1267 HA PHE 604 HA PHE 604 73.835 -2.843 7.039 1268 HB2 PHE 604 HB2 PHE 604 71.549 -1.440 8.384 1269 HB3 PHE 604 HB1 PHE 604 71.405 -3.177 8.134 1270 HD1 PHE 604 HD1 PHE 604 73.874 -0.626 9.397 1271 HD2 PHE 604 HD2 PHE 604 72.333 -4.628 9.720 1272 HE1 PHE 604 HE1 PHE 604 75.347 -1.040 11.345 1273 HE2 PHE 604 HE2 PHE 604 73.807 -5.036 11.669 1274 HZ PHE 604 HZ PHE 604 75.314 -3.243 12.482 1275 H CYS 605 HN CYS 605 73.151 -1.520 4.485 1276 HA CYS 605 HA CYS 605 70.733 -2.144 3.301 1277 HB2 CYS 605 HB2 CYS 605 72.443 -1.159 1.938 1278 HB3 CYS 605 HB1 CYS 605 73.531 -2.519 2.203 1279 HG CYS 605 HG CYS 605 72.542 -3.338 0.068 Start of MODEL 3 1 H MET 1 HT1 MET 1 100.530 -26.341 8.271 2 HA MET 1 HA MET 1 100.735 -26.250 5.365 3 HB2 MET 1 HB2 MET 1 98.264 -26.338 5.977 4 HB3 MET 1 HB1 MET 1 98.498 -24.840 6.861 5 HG2 MET 1 HG2 MET 1 99.380 -25.013 3.984 6 HG3 MET 1 HG1 MET 1 97.682 -24.766 4.364 7 HE1 MET 1 HE1 MET 1 96.835 -22.495 4.070 8 HE2 MET 1 HE2 MET 1 98.062 -22.661 2.817 9 HE3 MET 1 HE3 MET 1 97.942 -21.158 3.728 10 H ALA 2 HN ALA 2 99.564 -23.548 7.225 11 HA ALA 2 HA ALA 2 102.288 -22.625 7.906 12 HB1 ALA 2 HB1 ALA 2 102.222 -20.653 6.563 13 HB2 ALA 2 HB2 ALA 2 100.531 -20.914 6.136 14 HB3 ALA 2 HB3 ALA 2 101.779 -21.972 5.479 15 H LEU 3 HN LEU 3 98.824 -21.886 7.726 16 HA LEU 3 HA LEU 3 98.671 -19.803 9.609 17 HB2 LEU 3 HB2 LEU 3 96.792 -22.102 9.106 18 HB3 LEU 3 HB1 LEU 3 96.384 -20.639 10.001 19 HG LEU 3 HG LEU 3 97.136 -19.335 7.912 20 HD11 LEU 3 HD11 LEU 3 98.226 -20.770 6.472 21 HD12 LEU 3 HD12 LEU 3 96.603 -20.878 5.807 22 HD13 LEU 3 HD13 LEU 3 97.202 -22.149 6.870 23 HD21 LEU 3 HD21 LEU 3 94.929 -19.654 6.860 24 HD22 LEU 3 HD22 LEU 3 94.820 -19.572 8.619 25 HD23 LEU 3 HD23 LEU 3 94.715 -21.130 7.801 26 H ASP 4 HN ASP 4 97.836 -23.175 10.202 27 HA ASP 4 HA ASP 4 98.149 -22.879 13.048 28 HB2 ASP 4 HB2 ASP 4 96.540 -24.479 12.153 29 HB3 ASP 4 HB1 ASP 4 97.830 -25.328 11.300 30 H GLY 5 HN GLY 5 100.455 -22.607 10.967 31 HA2 GLY 5 HA2 GLY 5 102.383 -24.650 11.532 32 HA3 GLY 5 HA1 GLY 5 102.768 -23.003 11.015 33 H ILE 6 HN ILE 6 100.970 -22.244 13.362 34 HA ILE 6 HA ILE 6 103.071 -22.370 15.490 35 HB ILE 6 HB ILE 6 101.441 -20.194 16.100 36 HG12 ILE 6 HG12 ILE 6 100.344 -20.588 13.841 37 HG13 ILE 6 HG11 ILE 6 100.953 -18.963 14.133 38 HG21 ILE 6 HG21 ILE 6 103.990 -20.300 14.500 39 HG22 ILE 6 HG22 ILE 6 103.819 -20.068 16.240 40 HG23 ILE 6 HG23 ILE 6 103.291 -18.807 15.127 41 HD11 ILE 6 HD11 ILE 6 102.997 -20.665 12.892 42 HD12 ILE 6 HD12 ILE 6 102.366 -19.105 12.374 43 HD13 ILE 6 HD13 ILE 6 101.524 -20.586 11.930 44 H ARG 7 HN ARG 7 99.870 -21.088 16.048 45 HA ARG 7 HA ARG 7 98.867 -23.611 17.174 46 HB2 ARG 7 HB2 ARG 7 98.447 -22.431 19.398 47 HB3 ARG 7 HB1 ARG 7 100.106 -22.906 19.057 48 HG2 ARG 7 HG2 ARG 7 99.418 -20.179 18.092 49 HG3 ARG 7 HG1 ARG 7 99.350 -20.368 19.842 50 HD2 ARG 7 HD2 ARG 7 101.636 -21.124 19.925 51 HD3 ARG 7 HD1 ARG 7 101.714 -21.241 18.168 52 HE ARG 7 HE ARG 7 101.055 -18.554 18.886 53 HH11 ARG 7 HH11 ARG 7 102.690 -16.996 18.803 54 HH12 ARG 7 HH12 ARG 7 104.348 -17.498 18.823 55 HH21 ARG 7 HH21 ARG 7 103.599 -20.879 18.999 56 HH22 ARG 7 HH22 ARG 7 104.863 -19.696 18.933 57 H MET 8 HN MET 8 97.729 -20.605 18.492 58 HA MET 8 HA MET 8 95.639 -20.353 16.420 59 HB2 MET 8 HB2 MET 8 94.152 -20.327 18.850 60 HB3 MET 8 HB1 MET 8 94.070 -21.503 17.556 61 HG2 MET 8 HG2 MET 8 95.747 -22.889 18.543 62 HG3 MET 8 HG1 MET 8 96.176 -21.684 19.740 63 HE1 MET 8 HE1 MET 8 95.980 -23.369 21.645 64 HE2 MET 8 HE2 MET 8 95.601 -24.628 20.473 65 HE3 MET 8 HE3 MET 8 94.604 -24.448 21.914 66 HA PRO 9 HA PRO 9 95.202 -16.405 19.329 67 HB2 PRO 9 HB2 PRO 9 97.870 -16.837 20.672 68 HB3 PRO 9 HB1 PRO 9 96.462 -15.916 21.252 69 HG2 PRO 9 HG2 PRO 9 96.879 -18.303 22.210 70 HG3 PRO 9 HG1 PRO 9 95.243 -17.841 21.688 71 HD2 PRO 9 HD2 PRO 9 97.209 -19.627 20.290 72 HD3 PRO 9 HD1 PRO 9 95.455 -19.755 20.434 73 H ASP 10 HN ASP 10 98.085 -17.870 18.129 74 HA ASP 10 HA ASP 10 98.816 -15.386 16.602 75 HB2 ASP 10 HB2 ASP 10 100.484 -16.363 18.330 76 HB3 ASP 10 HB1 ASP 10 100.690 -17.687 17.186 77 H GLY 11 HN GLY 11 98.071 -18.764 16.534 78 HA2 GLY 11 HA2 GLY 11 98.675 -18.993 13.639 79 HA3 GLY 11 HA1 GLY 11 98.179 -20.305 14.702 80 H CYS 12 HN CYS 12 96.314 -17.587 15.267 81 HA CYS 12 HA CYS 12 94.326 -18.042 13.162 82 HB2 CYS 12 HB2 CYS 12 93.775 -19.883 14.668 83 HB3 CYS 12 HB1 CYS 12 93.759 -18.785 16.048 84 HG CYS 12 HG CYS 12 91.602 -17.694 15.153 85 H TYR 13 HN TYR 13 93.108 -17.040 16.234 86 HA TYR 13 HA TYR 13 93.835 -14.242 16.078 87 HB2 TYR 13 HB2 TYR 13 91.237 -15.164 14.842 88 HB3 TYR 13 HB1 TYR 13 91.313 -13.583 15.618 89 HD1 TYR 13 HD1 TYR 13 93.373 -12.081 14.932 90 HD2 TYR 13 HD2 TYR 13 91.853 -15.343 12.584 91 HE1 TYR 13 HE1 TYR 13 94.445 -11.127 12.910 92 HE2 TYR 13 HE2 TYR 13 92.925 -14.387 10.563 93 HH TYR 13 HH TYR 13 94.161 -12.744 9.742 94 H ALA 14 HN ALA 14 90.546 -14.765 16.830 95 HA ALA 14 HA ALA 14 90.687 -15.837 19.457 96 HB1 ALA 14 HB1 ALA 14 90.962 -12.836 19.232 97 HB2 ALA 14 HB2 ALA 14 91.941 -13.947 20.189 98 HB3 ALA 14 HB3 ALA 14 90.280 -13.598 20.669 99 H ASP 15 HN ASP 15 89.154 -13.407 17.396 100 HA ASP 15 HA ASP 15 86.533 -14.697 17.944 101 HB2 ASP 15 HB2 ASP 15 86.806 -12.703 19.464 102 HB3 ASP 15 HB1 ASP 15 86.949 -11.696 18.024 103 H GLY 16 HN GLY 16 88.773 -13.749 15.763 104 HA2 GLY 16 HA2 GLY 16 88.640 -13.716 13.402 105 HA3 GLY 16 HA1 GLY 16 86.886 -13.866 13.536 106 H THR 17 HN THR 17 88.437 -11.419 15.406 107 HA THR 17 HA THR 17 87.085 -9.347 13.767 108 HB THR 17 HB THR 17 87.675 -7.884 15.711 109 HG1 THR 17 HG1 THR 17 88.655 -10.344 16.709 110 HG21 THR 17 HG21 THR 17 86.158 -9.084 17.337 111 HG22 THR 17 HG22 THR 17 86.158 -10.442 16.210 112 HG23 THR 17 HG23 THR 17 85.507 -8.878 15.712 113 H TRP 18 HN TRP 18 88.242 -8.246 12.346 114 HA TRP 18 HA TRP 18 91.142 -7.721 12.843 115 HB2 TRP 18 HB2 TRP 18 91.011 -7.814 10.102 116 HB3 TRP 18 HB1 TRP 18 91.527 -9.163 11.101 117 HD1 TRP 18 HD1 TRP 18 88.177 -7.764 9.741 118 HE1 TRP 18 HE1 TRP 18 86.676 -9.768 9.131 119 HE3 TRP 18 HE3 TRP 18 91.219 -11.612 11.158 120 HZ2 TRP 18 HZ2 TRP 18 86.755 -12.624 9.222 121 HZ3 TRP 18 HZ3 TRP 18 90.483 -13.963 10.885 122 HH2 TRP 18 HH2 TRP 18 88.256 -14.473 9.919 123 H GLU 19 HN GLU 19 91.418 -5.565 12.930 124 HA GLU 19 HA GLU 19 89.299 -3.785 12.031 125 HB2 GLU 19 HB2 GLU 19 91.502 -2.145 12.615 126 HB3 GLU 19 HB1 GLU 19 90.207 -2.565 13.727 127 HG2 GLU 19 HG2 GLU 19 92.435 -3.046 14.673 128 HG3 GLU 19 HG1 GLU 19 91.458 -4.505 14.498 129 H LEU 20 HN LEU 20 89.143 -2.794 10.105 130 HA LEU 20 HA LEU 20 91.222 -3.329 8.100 131 HB2 LEU 20 HB2 LEU 20 88.413 -2.870 8.045 132 HB3 LEU 20 HB1 LEU 20 89.119 -1.497 7.208 133 HG LEU 20 HG LEU 20 88.672 -3.207 5.577 134 HD11 LEU 20 HD11 LEU 20 90.666 -3.145 4.477 135 HD12 LEU 20 HD12 LEU 20 91.608 -3.657 5.873 136 HD13 LEU 20 HD13 LEU 20 91.057 -1.986 5.745 137 HD21 LEU 20 HD21 LEU 20 90.492 -5.177 6.952 138 HD22 LEU 20 HD22 LEU 20 89.216 -5.475 5.779 139 HD23 LEU 20 HD23 LEU 20 88.801 -5.067 7.440 140 H SER 21 HN SER 21 92.716 -1.827 7.441 141 HA SER 21 HA SER 21 92.993 0.579 9.064 142 HB2 SER 21 HB2 SER 21 94.834 -0.970 7.944 143 HB3 SER 21 HB1 SER 21 94.611 0.131 6.587 144 HG SER 21 HG SER 21 94.940 1.851 8.145 145 H VAL 22 HN VAL 22 92.798 2.708 8.376 146 HA VAL 22 HA VAL 22 91.735 3.167 5.640 147 HB VAL 22 HB VAL 22 90.363 3.920 8.219 148 HG11 VAL 22 HG11 VAL 22 90.417 6.006 7.004 149 HG12 VAL 22 HG12 VAL 22 88.832 5.292 6.721 150 HG13 VAL 22 HG13 VAL 22 90.079 5.188 5.475 151 HG21 VAL 22 HG21 VAL 22 88.429 2.963 7.038 152 HG22 VAL 22 HG22 VAL 22 89.763 1.805 7.069 153 HG23 VAL 22 HG23 VAL 22 89.423 2.726 5.597 154 H HIS 23 HN HIS 23 93.322 4.377 4.838 155 HA HIS 23 HA HIS 23 94.731 6.402 6.426 156 HB2 HIS 23 HB2 HIS 23 94.797 5.393 3.593 157 HB3 HIS 23 HB1 HIS 23 95.600 6.917 3.979 158 HD1 HIS 23 HD1 HIS 23 95.442 3.694 6.018 159 HD2 HIS 23 HD2 HIS 23 98.263 6.176 4.212 160 HE1 HIS 23 HE1 HIS 23 97.716 2.783 6.663 161 H VAL 24 HN VAL 24 93.416 8.112 6.969 162 HA VAL 24 HA VAL 24 91.286 9.017 5.256 163 HB VAL 24 HB VAL 24 92.504 10.747 7.398 164 HG11 VAL 24 HG11 VAL 24 90.389 11.268 5.947 165 HG12 VAL 24 HG12 VAL 24 90.308 11.515 7.690 166 HG13 VAL 24 HG13 VAL 24 89.596 10.075 6.976 167 HG21 VAL 24 HG21 VAL 24 91.000 8.144 7.764 168 HG22 VAL 24 HG22 VAL 24 91.061 9.386 9.017 169 HG23 VAL 24 HG23 VAL 24 92.547 8.609 8.475 170 H THR 25 HN THR 25 92.014 9.661 3.250 171 HA THR 25 HA THR 25 94.350 11.303 2.846 172 HB THR 25 HB THR 25 93.858 11.130 0.583 173 HG1 THR 25 HG1 THR 25 91.952 12.416 0.824 174 HG21 THR 25 HG21 THR 25 93.596 8.843 1.768 175 HG22 THR 25 HG22 THR 25 92.985 8.982 0.119 176 HG23 THR 25 HG23 THR 25 91.868 9.051 1.482 177 H ASP 26 HN ASP 26 94.156 13.570 1.912 178 HA ASP 26 HA ASP 26 93.338 15.770 2.030 179 HB2 ASP 26 HB2 ASP 26 91.067 14.435 1.531 180 HB3 ASP 26 HB1 ASP 26 90.711 14.866 3.203 181 H LEU 27 HN LEU 27 92.432 13.607 4.692 182 HA LEU 27 HA LEU 27 92.968 15.737 6.675 183 HB2 LEU 27 HB2 LEU 27 91.493 13.183 6.611 184 HB3 LEU 27 HB1 LEU 27 92.386 13.420 8.102 185 HG LEU 27 HG LEU 27 90.480 15.472 6.917 186 HD11 LEU 27 HD11 LEU 27 88.964 14.732 8.792 187 HD12 LEU 27 HD12 LEU 27 90.048 13.367 9.050 188 HD13 LEU 27 HD13 LEU 27 89.182 13.531 7.521 189 HD21 LEU 27 HD21 LEU 27 90.588 16.120 9.509 190 HD22 LEU 27 HD22 LEU 27 91.807 16.703 8.386 191 HD23 LEU 27 HD23 LEU 27 92.154 15.315 9.413 192 H ASN 28 HN ASN 28 94.233 12.778 5.338 193 HA ASN 28 HA ASN 28 96.395 11.900 5.389 194 HB2 ASN 28 HB2 ASN 28 97.012 14.409 5.575 195 HB3 ASN 28 HB1 ASN 28 97.271 14.080 7.281 196 HD21 ASN 28 HD21 ASN 28 98.015 11.209 6.358 197 HD22 ASN 28 HD22 ASN 28 99.638 11.361 5.897 198 H ARG 29 HN ARG 29 94.257 11.584 7.664 199 HA ARG 29 HA ARG 29 96.064 10.731 9.842 200 HB2 ARG 29 HB2 ARG 29 93.050 10.634 9.661 201 HB3 ARG 29 HB1 ARG 29 94.016 10.294 11.096 202 HG2 ARG 29 HG2 ARG 29 94.840 12.563 11.163 203 HG3 ARG 29 HG1 ARG 29 94.075 12.932 9.624 204 HD2 ARG 29 HD2 ARG 29 92.534 13.804 11.166 205 HD3 ARG 29 HD1 ARG 29 91.869 12.205 10.830 206 HE ARG 29 HE ARG 29 92.324 11.627 13.066 207 HH11 ARG 29 HH11 ARG 29 93.208 11.993 15.114 208 HH12 ARG 29 HH12 ARG 29 94.314 13.306 15.342 209 HH21 ARG 29 HH21 ARG 29 94.178 14.344 12.037 210 HH22 ARG 29 HH22 ARG 29 94.864 14.637 13.601 211 H ASP 30 HN ASP 30 95.106 8.589 10.837 212 HA ASP 30 HA ASP 30 94.525 6.585 8.730 213 HB2 ASP 30 HB2 ASP 30 96.871 6.524 10.640 214 HB3 ASP 30 HB1 ASP 30 96.205 5.052 9.929 215 H VAL 31 HN VAL 31 92.745 5.611 9.403 216 HA VAL 31 HA VAL 31 92.336 5.221 12.356 217 HB VAL 31 HB VAL 31 90.188 5.551 10.251 218 HG11 VAL 31 HG11 VAL 31 88.834 6.026 12.336 219 HG12 VAL 31 HG12 VAL 31 90.230 5.519 13.283 220 HG13 VAL 31 HG13 VAL 31 89.426 4.369 12.214 221 HG21 VAL 31 HG21 VAL 31 89.941 7.853 11.104 222 HG22 VAL 31 HG22 VAL 31 91.568 7.621 10.467 223 HG23 VAL 31 HG23 VAL 31 91.292 7.603 12.209 224 H THR 32 HN THR 32 91.142 3.337 12.943 225 HA THR 32 HA THR 32 91.085 1.157 10.903 226 HB THR 32 HB THR 32 91.754 0.021 13.462 227 HG1 THR 32 HG1 THR 32 92.969 2.439 12.891 228 HG21 THR 32 HG21 THR 32 93.582 -0.935 12.332 229 HG22 THR 32 HG22 THR 32 93.752 0.445 11.246 230 HG23 THR 32 HG23 THR 32 92.410 -0.681 11.040 231 H LEU 33 HN LEU 33 89.233 -0.052 11.016 232 HA LEU 33 HA LEU 33 87.319 0.535 13.249 233 HB2 LEU 33 HB2 LEU 33 87.029 0.064 10.302 234 HB3 LEU 33 HB1 LEU 33 85.707 -0.409 11.348 235 HG LEU 33 HG LEU 33 85.551 1.932 10.377 236 HD11 LEU 33 HD11 LEU 33 84.519 1.049 12.641 237 HD12 LEU 33 HD12 LEU 33 84.463 2.763 12.251 238 HD13 LEU 33 HD13 LEU 33 85.677 2.160 13.376 239 HD21 LEU 33 HD21 LEU 33 86.985 3.644 11.141 240 HD22 LEU 33 HD22 LEU 33 88.075 2.308 10.773 241 HD23 LEU 33 HD23 LEU 33 87.627 2.654 12.440 242 H ARG 34 HN ARG 34 87.374 -1.149 14.639 243 HA ARG 34 HA ARG 34 88.228 -3.790 14.040 244 HB2 ARG 34 HB2 ARG 34 88.039 -2.803 16.356 245 HB3 ARG 34 HB1 ARG 34 86.291 -2.969 16.215 246 HG2 ARG 34 HG2 ARG 34 87.113 -4.920 17.381 247 HG3 ARG 34 HG1 ARG 34 86.618 -5.418 15.765 248 HD2 ARG 34 HD2 ARG 34 88.779 -5.808 15.067 249 HD3 ARG 34 HD1 ARG 34 89.479 -4.604 16.149 250 HE ARG 34 HE ARG 34 88.337 -6.796 17.645 251 HH11 ARG 34 HH11 ARG 34 89.780 -8.249 18.598 252 HH12 ARG 34 HH12 ARG 34 91.428 -8.289 18.063 253 HH21 ARG 34 HH21 ARG 34 91.003 -5.785 15.702 254 HH22 ARG 34 HH22 ARG 34 92.119 -6.895 16.426 255 H VAL 35 HN VAL 35 87.222 -4.767 12.354 256 HA VAL 35 HA VAL 35 84.250 -5.125 12.524 257 HB VAL 35 HB VAL 35 84.286 -5.147 10.027 258 HG11 VAL 35 HG11 VAL 35 83.529 -3.132 11.054 259 HG12 VAL 35 HG12 VAL 35 84.699 -2.623 9.836 260 HG13 VAL 35 HG13 VAL 35 85.166 -2.682 11.538 261 HG21 VAL 35 HG21 VAL 35 86.614 -5.659 9.621 262 HG22 VAL 35 HG22 VAL 35 87.130 -4.210 10.479 263 HG23 VAL 35 HG23 VAL 35 86.279 -4.067 8.943 264 H THR 36 HN THR 36 83.885 -6.857 10.526 265 HA THR 36 HA THR 36 85.791 -9.107 10.898 266 HB THR 36 HB THR 36 83.757 -10.620 11.119 267 HG1 THR 36 HG1 THR 36 82.497 -8.427 10.652 268 HG21 THR 36 HG21 THR 36 85.079 -10.305 13.053 269 HG22 THR 36 HG22 THR 36 83.423 -9.993 13.570 270 HG23 THR 36 HG23 THR 36 84.519 -8.648 13.262 271 H GLY 37 HN GLY 37 85.178 -10.846 9.205 272 HA2 GLY 37 HA2 GLY 37 84.870 -9.479 6.666 273 HA3 GLY 37 HA1 GLY 37 85.120 -11.207 6.866 274 H GLU 38 HN GLU 38 82.601 -9.084 8.160 275 HA GLU 38 HA GLU 38 80.582 -10.371 6.423 276 HB2 GLU 38 HB2 GLU 38 79.123 -10.758 8.461 277 HB3 GLU 38 HB1 GLU 38 80.510 -11.837 8.317 278 HG2 GLU 38 HG2 GLU 38 81.723 -10.711 9.989 279 HG3 GLU 38 HG1 GLU 38 80.704 -9.274 9.891 280 H VAL 39 HN VAL 39 81.913 -7.621 7.631 281 HA VAL 39 HA VAL 39 79.383 -6.195 8.125 282 HB VAL 39 HB VAL 39 80.688 -4.356 8.784 283 HG11 VAL 39 HG11 VAL 39 82.483 -6.663 9.482 284 HG12 VAL 39 HG12 VAL 39 80.857 -6.523 10.145 285 HG13 VAL 39 HG13 VAL 39 82.050 -5.272 10.476 286 HG21 VAL 39 HG21 VAL 39 83.140 -4.197 8.323 287 HG22 VAL 39 HG22 VAL 39 82.181 -4.142 6.857 288 HG23 VAL 39 HG23 VAL 39 83.012 -5.634 7.313 289 H HIS 40 HN HIS 40 78.398 -4.855 6.652 290 HA HIS 40 HA HIS 40 79.240 -5.093 3.867 291 HB2 HIS 40 HB2 HIS 40 77.174 -3.083 4.720 292 HB3 HIS 40 HB1 HIS 40 77.187 -4.158 3.320 293 HD1 HIS 40 HD1 HIS 40 75.305 -3.763 6.210 294 HD2 HIS 40 HD2 HIS 40 77.238 -7.078 4.582 295 HE1 HIS 40 HE1 HIS 40 74.195 -5.804 7.215 296 H ILE 41 HN ILE 41 80.089 -3.398 2.560 297 HA ILE 41 HA ILE 41 82.037 -1.711 3.601 298 HB ILE 41 HB ILE 41 80.230 -1.202 1.222 299 HG12 ILE 41 HG12 ILE 41 83.081 -2.219 1.283 300 HG13 ILE 41 HG11 ILE 41 81.679 -3.290 1.270 301 HG21 ILE 41 HG21 ILE 41 82.248 0.221 0.499 302 HG22 ILE 41 HG22 ILE 41 82.735 0.184 2.192 303 HG23 ILE 41 HG23 ILE 41 81.193 0.906 1.731 304 HD11 ILE 41 HD11 ILE 41 81.909 -1.099 -0.784 305 HD12 ILE 41 HD12 ILE 41 81.012 -2.614 -0.868 306 HD13 ILE 41 HD13 ILE 41 82.771 -2.622 -1.012 307 H GLY 42 HN GLY 42 78.770 -0.650 2.686 308 HA2 GLY 42 HA2 GLY 42 78.920 1.935 3.764 309 HA3 GLY 42 HA1 GLY 42 77.425 1.041 3.573 310 H GLY 43 HN GLY 43 78.843 -1.091 5.295 311 HA2 GLY 43 HA2 GLY 43 77.661 -0.281 7.811 312 HA3 GLY 43 HA1 GLY 43 78.683 -1.701 7.554 313 H VAL 44 HN VAL 44 80.800 -0.081 6.339 314 HA VAL 44 HA VAL 44 82.168 0.752 8.809 315 HB VAL 44 HB VAL 44 82.969 0.364 5.915 316 HG11 VAL 44 HG11 VAL 44 85.315 0.995 6.722 317 HG12 VAL 44 HG12 VAL 44 84.537 1.727 8.124 318 HG13 VAL 44 HG13 VAL 44 84.197 2.342 6.506 319 HG21 VAL 44 HG21 VAL 44 82.819 -1.537 7.598 320 HG22 VAL 44 HG22 VAL 44 84.149 -0.767 8.463 321 HG23 VAL 44 HG23 VAL 44 84.387 -1.344 6.814 322 H MET 45 HN MET 45 80.952 2.209 5.788 323 HA MET 45 HA MET 45 81.920 4.823 5.977 324 HB2 MET 45 HB2 MET 45 79.211 3.752 5.180 325 HB3 MET 45 HB1 MET 45 79.528 5.479 5.126 326 HG2 MET 45 HG2 MET 45 81.635 4.766 3.716 327 HG3 MET 45 HG1 MET 45 80.724 3.291 3.439 328 HE1 MET 45 HE1 MET 45 78.392 3.220 1.914 329 HE2 MET 45 HE2 MET 45 77.388 4.666 1.867 330 HE3 MET 45 HE3 MET 45 77.843 3.981 3.413 331 H LEU 46 HN LEU 46 79.322 3.289 7.805 332 HA LEU 46 HA LEU 46 78.604 5.747 9.191 333 HB2 LEU 46 HB2 LEU 46 77.354 3.318 8.730 334 HB3 LEU 46 HB1 LEU 46 77.752 3.194 10.441 335 HG LEU 46 HG LEU 46 76.310 5.560 9.188 336 HD11 LEU 46 HD11 LEU 46 75.108 3.197 9.343 337 HD12 LEU 46 HD12 LEU 46 74.268 4.682 9.803 338 HD13 LEU 46 HD13 LEU 46 74.955 3.636 11.046 339 HD21 LEU 46 HD21 LEU 46 77.173 4.837 11.987 340 HD22 LEU 46 HD22 LEU 46 75.752 5.850 11.744 341 HD23 LEU 46 HD23 LEU 46 77.320 6.375 11.136 342 H LYS 47 HN LYS 47 80.116 2.692 10.372 343 HA LYS 47 HA LYS 47 80.689 3.584 12.974 344 HB2 LYS 47 HB2 LYS 47 82.528 1.834 11.320 345 HB3 LYS 47 HB1 LYS 47 82.409 1.890 13.078 346 HG2 LYS 47 HG2 LYS 47 80.244 0.906 13.071 347 HG3 LYS 47 HG1 LYS 47 80.054 1.170 11.341 348 HD2 LYS 47 HD2 LYS 47 81.766 -0.459 10.828 349 HD3 LYS 47 HD1 LYS 47 82.182 -0.623 12.534 350 HE2 LYS 47 HE2 LYS 47 79.436 -1.264 11.432 351 HE3 LYS 47 HE1 LYS 47 80.710 -2.471 11.616 352 HZ1 LYS 47 HZ1 LYS 47 79.718 -2.677 13.627 353 HZ2 LYS 47 HZ2 LYS 47 79.157 -1.074 13.657 354 HZ3 LYS 47 HZ3 LYS 47 80.781 -1.415 14.019 355 H LEU 48 HN LEU 48 83.047 3.630 10.258 356 HA LEU 48 HA LEU 48 85.102 5.008 11.494 357 HB2 LEU 48 HB2 LEU 48 85.351 4.213 9.221 358 HB3 LEU 48 HB1 LEU 48 84.072 5.276 8.653 359 HG LEU 48 HG LEU 48 85.555 7.247 9.322 360 HD11 LEU 48 HD11 LEU 48 87.041 5.977 10.865 361 HD12 LEU 48 HD12 LEU 48 87.937 6.808 9.598 362 HD13 LEU 48 HD13 LEU 48 87.653 5.075 9.482 363 HD21 LEU 48 HD21 LEU 48 86.535 5.260 7.269 364 HD22 LEU 48 HD22 LEU 48 87.064 6.940 7.360 365 HD23 LEU 48 HD23 LEU 48 85.375 6.563 7.011 366 H VAL 49 HN VAL 49 82.217 6.461 9.992 367 HA VAL 49 HA VAL 49 82.971 9.176 10.595 368 HB VAL 49 HB VAL 49 80.340 7.845 9.959 369 HG11 VAL 49 HG11 VAL 49 79.704 9.727 11.293 370 HG12 VAL 49 HG12 VAL 49 79.507 10.208 9.612 371 HG13 VAL 49 HG13 VAL 49 80.915 10.753 10.522 372 HG21 VAL 49 HG21 VAL 49 81.915 9.880 8.379 373 HG22 VAL 49 HG22 VAL 49 80.626 8.823 7.802 374 HG23 VAL 49 HG23 VAL 49 82.198 8.145 8.226 375 H GLU 50 HN GLU 50 80.776 6.869 12.231 376 HA GLU 50 HA GLU 50 79.823 8.417 14.320 377 HB2 GLU 50 HB2 GLU 50 80.770 5.548 14.312 378 HB3 GLU 50 HB1 GLU 50 80.028 6.278 15.734 379 HG2 GLU 50 HG2 GLU 50 78.726 6.283 13.002 380 HG3 GLU 50 HG1 GLU 50 78.423 5.040 14.214 381 H LYS 51 HN LYS 51 83.044 6.967 14.063 382 HA LYS 51 HA LYS 51 83.862 7.849 16.695 383 HB2 LYS 51 HB2 LYS 51 85.542 6.983 14.341 384 HB3 LYS 51 HB1 LYS 51 86.065 7.082 16.024 385 HG2 LYS 51 HG2 LYS 51 84.124 5.503 16.568 386 HG3 LYS 51 HG1 LYS 51 84.005 5.231 14.833 387 HD2 LYS 51 HD2 LYS 51 86.361 4.644 16.631 388 HD3 LYS 51 HD1 LYS 51 85.379 3.500 15.732 389 HE2 LYS 51 HE2 LYS 51 87.358 3.740 14.453 390 HE3 LYS 51 HE1 LYS 51 86.158 4.725 13.617 391 HZ1 LYS 51 HZ1 LYS 51 87.565 6.141 15.680 392 HZ2 LYS 51 HZ2 LYS 51 87.286 6.578 14.062 393 HZ3 LYS 51 HZ3 LYS 51 88.594 5.569 14.460 394 H LEU 52 HN LEU 52 83.956 9.243 13.466 395 HA LEU 52 HA LEU 52 85.940 11.216 13.907 396 HB2 LEU 52 HB2 LEU 52 84.642 10.493 11.730 397 HB3 LEU 52 HB1 LEU 52 83.499 11.738 12.220 398 HG LEU 52 HG LEU 52 85.471 13.316 12.406 399 HD11 LEU 52 HD11 LEU 52 86.852 10.894 11.308 400 HD12 LEU 52 HD12 LEU 52 87.445 12.114 12.430 401 HD13 LEU 52 HD13 LEU 52 87.361 12.473 10.712 402 HD21 LEU 52 HD21 LEU 52 84.935 12.157 9.655 403 HD22 LEU 52 HD22 LEU 52 85.467 13.800 10.012 404 HD23 LEU 52 HD23 LEU 52 83.857 13.271 10.495 405 H ASP 53 HN ASP 53 82.440 11.729 13.871 406 HA ASP 53 HA ASP 53 81.043 12.956 15.260 407 HB2 ASP 53 HB2 ASP 53 82.758 12.030 16.984 408 HB3 ASP 53 HB1 ASP 53 83.359 13.676 17.017 409 H VAL 54 HN VAL 54 81.064 14.327 13.402 410 HA VAL 54 HA VAL 54 81.488 17.065 14.044 411 HB VAL 54 HB VAL 54 83.827 16.606 13.712 412 HG11 VAL 54 HG11 VAL 54 83.464 14.491 12.455 413 HG12 VAL 54 HG12 VAL 54 84.687 15.531 11.722 414 HG13 VAL 54 HG13 VAL 54 83.072 15.448 11.026 415 HG21 VAL 54 HG21 VAL 54 84.342 18.087 11.827 416 HG22 VAL 54 HG22 VAL 54 82.962 18.716 12.725 417 HG23 VAL 54 HG23 VAL 54 82.711 17.884 11.195 418 H LYS 55 HN LYS 55 79.960 18.118 12.902 419 HA LYS 55 HA LYS 55 78.386 16.783 10.923 420 HB2 LYS 55 HB2 LYS 55 77.944 18.918 12.492 421 HB3 LYS 55 HB1 LYS 55 78.403 19.764 11.023 422 HG2 LYS 55 HG2 LYS 55 76.075 19.538 10.842 423 HG3 LYS 55 HG1 LYS 55 76.711 18.279 9.822 424 HD2 LYS 55 HD2 LYS 55 76.144 16.568 11.345 425 HD3 LYS 55 HD1 LYS 55 75.995 17.699 12.681 426 HE2 LYS 55 HE2 LYS 55 73.944 18.571 11.864 427 HE3 LYS 55 HE1 LYS 55 74.175 17.828 10.281 428 HZ1 LYS 55 HZ1 LYS 55 72.959 16.741 12.583 429 HZ2 LYS 55 HZ2 LYS 55 74.299 15.788 12.155 430 HZ3 LYS 55 HZ3 LYS 55 73.065 16.080 11.025 431 H LYS 56 HN LYS 56 81.167 16.716 10.142 432 HA LYS 56 HA LYS 56 81.568 18.674 8.016 433 HB2 LYS 56 HB2 LYS 56 83.545 17.772 9.057 434 HB3 LYS 56 HB1 LYS 56 83.007 16.114 8.785 435 HG2 LYS 56 HG2 LYS 56 83.475 16.203 6.486 436 HG3 LYS 56 HG1 LYS 56 83.404 17.964 6.438 437 HD2 LYS 56 HD2 LYS 56 85.735 17.157 6.255 438 HD3 LYS 56 HD1 LYS 56 85.498 18.100 7.725 439 HE2 LYS 56 HE2 LYS 56 85.229 15.091 7.714 440 HE3 LYS 56 HE1 LYS 56 86.788 15.883 7.961 441 HZ1 LYS 56 HZ1 LYS 56 86.170 15.948 10.090 442 HZ2 LYS 56 HZ2 LYS 56 84.532 15.665 9.739 443 HZ3 LYS 56 HZ3 LYS 56 85.168 17.237 9.634 444 H ASP 57 HN ASP 57 81.756 17.980 5.717 445 HA ASP 57 HA ASP 57 79.422 16.546 4.876 446 HB2 ASP 57 HB2 ASP 57 80.757 16.638 2.589 447 HB3 ASP 57 HB1 ASP 57 80.103 18.109 3.301 448 H TRP 58 HN TRP 58 79.474 14.484 5.722 449 HA TRP 58 HA TRP 58 81.767 12.708 5.273 450 HB2 TRP 58 HB2 TRP 58 78.981 12.110 6.232 451 HB3 TRP 58 HB1 TRP 58 80.329 11.007 6.306 452 HD1 TRP 58 HD1 TRP 58 82.471 13.119 7.524 453 HE1 TRP 58 HE1 TRP 58 82.203 13.758 10.022 454 HE3 TRP 58 HE3 TRP 58 77.573 11.962 8.223 455 HZ2 TRP 58 HZ2 TRP 58 80.158 13.734 12.046 456 HZ3 TRP 58 HZ3 TRP 58 76.477 12.274 10.419 457 HH2 TRP 58 HH2 TRP 58 77.768 13.173 12.332 458 H SER 59 HN SER 59 78.390 12.969 4.168 459 HA SER 59 HA SER 59 78.073 10.776 2.546 460 HB2 SER 59 HB2 SER 59 77.233 13.640 2.138 461 HB3 SER 59 HB1 SER 59 76.769 12.380 1.001 462 HG SER 59 HG SER 59 76.218 11.299 3.219 463 H ASP 60 HN ASP 60 79.503 13.847 1.402 464 HA ASP 60 HA ASP 60 80.208 13.056 -1.181 465 HB2 ASP 60 HB2 ASP 60 80.501 15.342 -0.478 466 HB3 ASP 60 HB1 ASP 60 81.659 14.865 0.764 467 H HIS 61 HN HIS 61 81.633 12.022 1.837 468 HA HIS 61 HA HIS 61 84.031 10.956 0.505 469 HB2 HIS 61 HB2 HIS 61 83.106 10.988 3.375 470 HB3 HIS 61 HB1 HIS 61 84.550 10.152 2.846 471 HD1 HIS 61 HD1 HIS 61 86.597 11.532 3.101 472 HD2 HIS 61 HD2 HIS 61 83.258 13.888 2.289 473 HE1 HIS 61 HE1 HIS 61 87.406 13.931 3.070 474 H ALA 62 HN ALA 62 84.681 8.769 0.757 475 HA ALA 62 HA ALA 62 82.825 6.668 1.502 476 HB1 ALA 62 HB1 ALA 62 82.005 7.491 -0.803 477 HB2 ALA 62 HB2 ALA 62 82.333 5.765 -0.651 478 HB3 ALA 62 HB3 ALA 62 83.503 6.818 -1.446 479 H LEU 63 HN LEU 63 83.930 4.449 0.846 480 HA LEU 63 HA LEU 63 86.851 4.822 1.287 481 HB2 LEU 63 HB2 LEU 63 85.187 2.287 1.346 482 HB3 LEU 63 HB1 LEU 63 86.882 2.417 1.791 483 HG LEU 63 HG LEU 63 85.510 2.408 3.784 484 HD11 LEU 63 HD11 LEU 63 86.362 5.279 3.498 485 HD12 LEU 63 HD12 LEU 63 87.558 3.981 3.502 486 HD13 LEU 63 HD13 LEU 63 86.502 4.212 4.893 487 HD21 LEU 63 HD21 LEU 63 83.658 3.723 4.163 488 HD22 LEU 63 HD22 LEU 63 83.535 3.569 2.412 489 HD23 LEU 63 HD23 LEU 63 84.220 5.031 3.124 490 H TRP 64 HN TRP 64 88.417 3.980 -0.061 491 HA TRP 64 HA TRP 64 87.526 2.874 -2.710 492 HB2 TRP 64 HB2 TRP 64 88.324 4.742 -3.748 493 HB3 TRP 64 HB1 TRP 64 88.634 5.450 -2.188 494 HD1 TRP 64 HD1 TRP 64 91.177 4.119 -1.167 495 HE1 TRP 64 HE1 TRP 64 93.411 4.263 -2.434 496 HE3 TRP 64 HE3 TRP 64 89.467 5.278 -5.838 497 HZ2 TRP 64 HZ2 TRP 64 94.357 4.843 -5.067 498 HZ3 TRP 64 HZ3 TRP 64 91.060 5.643 -7.701 499 HH2 TRP 64 HH2 TRP 64 93.501 5.429 -7.322 500 H TRP 65 HN TRP 65 89.069 1.399 -3.655 501 HA TRP 65 HA TRP 65 91.014 0.290 -1.665 502 HB2 TRP 65 HB2 TRP 65 89.045 -1.126 -2.531 503 HB3 TRP 65 HB1 TRP 65 89.903 -1.168 -4.066 504 HD1 TRP 65 HD1 TRP 65 92.693 -1.135 -1.895 505 HE1 TRP 65 HE1 TRP 65 93.484 -3.485 -1.227 506 HE3 TRP 65 HE3 TRP 65 88.566 -3.853 -3.188 507 HZ2 TRP 65 HZ2 TRP 65 92.505 -6.175 -1.246 508 HZ3 TRP 65 HZ3 TRP 65 88.528 -6.304 -2.853 509 HH2 TRP 65 HH2 TRP 65 90.489 -7.471 -1.886 510 H GLU 66 HN GLU 66 92.835 1.563 -2.291 511 HA GLU 66 HA GLU 66 93.599 2.186 -4.930 512 HB2 GLU 66 HB2 GLU 66 95.939 2.320 -3.997 513 HB3 GLU 66 HB1 GLU 66 94.726 3.247 -3.124 514 HG2 GLU 66 HG2 GLU 66 94.484 1.386 -1.506 515 HG3 GLU 66 HG1 GLU 66 95.735 0.502 -2.372 516 H LYS 67 HN LYS 67 93.845 -0.893 -3.271 517 HA LYS 67 HA LYS 67 95.892 -1.980 -5.009 518 HB2 LYS 67 HB2 LYS 67 93.633 -3.536 -3.719 519 HB3 LYS 67 HB1 LYS 67 95.192 -4.165 -4.236 520 HG2 LYS 67 HG2 LYS 67 94.747 -2.168 -2.000 521 HG3 LYS 67 HG1 LYS 67 95.125 -3.876 -1.795 522 HD2 LYS 67 HD2 LYS 67 97.219 -3.384 -3.227 523 HD3 LYS 67 HD1 LYS 67 96.876 -1.686 -2.895 524 HE2 LYS 67 HE2 LYS 67 98.257 -2.159 -1.087 525 HE3 LYS 67 HE1 LYS 67 96.696 -2.586 -0.378 526 HZ1 LYS 67 HZ1 LYS 67 97.365 -4.672 -0.179 527 HZ2 LYS 67 HZ2 LYS 67 98.903 -4.229 -0.749 528 HZ3 LYS 67 HZ3 LYS 67 97.716 -4.776 -1.835 529 H LYS 68 HN LYS 68 92.777 -0.913 -5.410 530 HA LYS 68 HA LYS 68 92.459 -2.284 -8.038 531 HB2 LYS 68 HB2 LYS 68 90.056 -1.557 -6.372 532 HB3 LYS 68 HB1 LYS 68 90.215 -2.798 -7.611 533 HG2 LYS 68 HG2 LYS 68 91.671 -2.998 -4.953 534 HG3 LYS 68 HG1 LYS 68 90.044 -3.602 -5.183 535 HD2 LYS 68 HD2 LYS 68 90.718 -5.181 -6.811 536 HD3 LYS 68 HD1 LYS 68 92.275 -4.390 -7.047 537 HE2 LYS 68 HE2 LYS 68 93.183 -5.301 -5.121 538 HE3 LYS 68 HE1 LYS 68 91.628 -5.422 -4.301 539 HZ1 LYS 68 HZ1 LYS 68 92.953 -7.309 -6.021 540 HZ2 LYS 68 HZ2 LYS 68 91.323 -7.057 -6.430 541 HZ3 LYS 68 HZ3 LYS 68 91.742 -7.562 -4.862 542 H ARG 69 HN ARG 69 92.557 0.598 -6.215 543 HA ARG 69 HA ARG 69 92.041 2.823 -6.742 544 HB2 ARG 69 HB2 ARG 69 92.530 1.647 -9.499 545 HB3 ARG 69 HB1 ARG 69 92.184 3.352 -9.250 546 HG2 ARG 69 HG2 ARG 69 94.514 3.383 -9.210 547 HG3 ARG 69 HG1 ARG 69 94.172 3.196 -7.494 548 HD2 ARG 69 HD2 ARG 69 95.815 1.553 -7.967 549 HD3 ARG 69 HD1 ARG 69 94.293 0.670 -7.919 550 HE ARG 69 HE ARG 69 94.806 1.523 -10.604 551 HH11 ARG 69 HH11 ARG 69 95.547 -0.020 -12.078 552 HH12 ARG 69 HH12 ARG 69 96.255 -1.488 -11.493 553 HH21 ARG 69 HH21 ARG 69 95.860 -0.656 -8.148 554 HH22 ARG 69 HH22 ARG 69 96.432 -1.849 -9.266 555 H THR 70 HN THR 70 89.893 1.260 -6.119 556 HA THR 70 HA THR 70 87.792 1.980 -8.145 557 HB THR 70 HB THR 70 88.242 -0.462 -7.454 558 HG1 THR 70 HG1 THR 70 86.110 0.808 -8.118 559 HG21 THR 70 HG21 THR 70 88.311 0.290 -4.953 560 HG22 THR 70 HG22 THR 70 87.560 -1.250 -5.370 561 HG23 THR 70 HG23 THR 70 86.555 0.166 -5.060 562 H TRP 71 HN TRP 71 85.589 1.847 -6.698 563 HA TRP 71 HA TRP 71 85.902 3.673 -4.367 564 HB2 TRP 71 HB2 TRP 71 83.462 4.399 -5.304 565 HB3 TRP 71 HB1 TRP 71 84.933 5.232 -5.776 566 HD1 TRP 71 HD1 TRP 71 82.973 2.123 -7.027 567 HE1 TRP 71 HE1 TRP 71 83.042 2.114 -9.561 568 HE3 TRP 71 HE3 TRP 71 85.803 6.291 -7.828 569 HZ2 TRP 71 HZ2 TRP 71 84.144 3.667 -11.709 570 HZ3 TRP 71 HZ3 TRP 71 86.345 7.004 -10.139 571 HH2 TRP 71 HH2 TRP 71 85.521 5.698 -12.079 572 H LEU 72 HN LEU 72 85.533 2.195 -2.804 573 HA LEU 72 HA LEU 72 84.008 -0.148 -3.178 574 HB2 LEU 72 HB2 LEU 72 84.699 1.302 -0.632 575 HB3 LEU 72 HB1 LEU 72 84.125 -0.359 -0.718 576 HG LEU 72 HG LEU 72 86.539 0.609 -2.251 577 HD11 LEU 72 HD11 LEU 72 87.823 -0.615 -0.397 578 HD12 LEU 72 HD12 LEU 72 86.347 -0.448 0.557 579 HD13 LEU 72 HD13 LEU 72 87.190 0.989 -0.027 580 HD21 LEU 72 HD21 LEU 72 86.998 -2.002 -1.882 581 HD22 LEU 72 HD22 LEU 72 85.995 -1.420 -3.210 582 HD23 LEU 72 HD23 LEU 72 85.241 -2.047 -1.743 583 H LEU 73 HN LEU 73 82.096 0.464 -4.144 584 HA LEU 73 HA LEU 73 80.013 1.538 -2.276 585 HB2 LEU 73 HB2 LEU 73 78.767 2.307 -4.331 586 HB3 LEU 73 HB1 LEU 73 80.262 3.182 -4.021 587 HG LEU 73 HG LEU 73 81.261 1.292 -5.667 588 HD11 LEU 73 HD11 LEU 73 79.740 0.718 -7.447 589 HD12 LEU 73 HD12 LEU 73 78.465 1.720 -6.752 590 HD13 LEU 73 HD13 LEU 73 78.961 0.243 -5.940 591 HD21 LEU 73 HD21 LEU 73 79.770 3.801 -6.482 592 HD22 LEU 73 HD22 LEU 73 80.853 2.913 -7.553 593 HD23 LEU 73 HD23 LEU 73 81.479 3.663 -6.091 594 H LYS 74 HN LYS 74 81.215 -1.175 -3.384 595 HA LYS 74 HA LYS 74 78.891 -2.508 -4.510 596 HB2 LYS 74 HB2 LYS 74 81.189 -3.990 -3.247 597 HB3 LYS 74 HB1 LYS 74 80.233 -4.427 -4.649 598 HG2 LYS 74 HG2 LYS 74 82.046 -2.007 -4.739 599 HG3 LYS 74 HG1 LYS 74 82.700 -3.611 -4.970 600 HD2 LYS 74 HD2 LYS 74 82.247 -2.990 -7.169 601 HD3 LYS 74 HD1 LYS 74 80.784 -3.871 -6.764 602 HE2 LYS 74 HE2 LYS 74 79.533 -1.895 -6.557 603 HE3 LYS 74 HE1 LYS 74 80.965 -0.898 -6.352 604 HZ1 LYS 74 HZ1 LYS 74 80.976 -0.551 -8.517 605 HZ2 LYS 74 HZ2 LYS 74 79.621 -1.556 -8.719 606 HZ3 LYS 74 HZ3 LYS 74 81.187 -2.211 -8.792 607 H THR 75 HN THR 75 77.861 -1.414 -2.279 608 HA THR 75 HA THR 75 78.113 -2.908 0.135 609 HB THR 75 HB THR 75 75.677 -2.096 0.497 610 HG1 THR 75 HG1 THR 75 76.047 -1.593 -2.105 611 HG21 THR 75 HG21 THR 75 76.509 0.358 0.525 612 HG22 THR 75 HG22 THR 75 78.046 -0.304 -0.028 613 HG23 THR 75 HG23 THR 75 77.370 -0.815 1.520 614 H HIS 76 HN HIS 76 77.082 -3.916 -2.869 615 HA HIS 76 HA HIS 76 74.863 -5.589 -2.337 616 HB2 HIS 76 HB2 HIS 76 77.113 -6.066 -4.307 617 HB3 HIS 76 HB1 HIS 76 75.509 -6.797 -4.367 618 HD1 HIS 76 HD1 HIS 76 77.292 -4.153 -5.882 619 HD2 HIS 76 HD2 HIS 76 73.451 -4.452 -4.288 620 HE1 HIS 76 HE1 HIS 76 75.948 -2.259 -6.892 621 H TRP 77 HN TRP 77 78.352 -6.286 -2.019 622 HA TRP 77 HA TRP 77 77.613 -8.820 -0.591 623 HB2 TRP 77 HB2 TRP 77 79.956 -9.537 -1.369 624 HB3 TRP 77 HB1 TRP 77 78.672 -9.543 -2.554 625 HD1 TRP 77 HD1 TRP 77 81.088 -6.778 -1.282 626 HE1 TRP 77 HE1 TRP 77 82.106 -5.621 -3.347 627 HE3 TRP 77 HE3 TRP 77 78.847 -9.471 -4.997 628 HZ2 TRP 77 HZ2 TRP 77 81.986 -5.812 -6.201 629 HZ3 TRP 77 HZ3 TRP 77 79.317 -8.965 -7.377 630 HH2 TRP 77 HH2 TRP 77 80.882 -7.140 -7.983 631 H THR 78 HN THR 78 80.232 -9.370 0.456 632 HA THR 78 HA THR 78 80.578 -7.025 2.302 633 HB THR 78 HB THR 78 81.412 -9.613 3.420 634 HG1 THR 78 HG1 THR 78 78.708 -9.662 3.275 635 HG21 THR 78 HG21 THR 78 80.956 -8.023 5.055 636 HG22 THR 78 HG22 THR 78 79.444 -8.931 5.027 637 HG23 THR 78 HG23 THR 78 79.541 -7.382 4.209 638 H LEU 79 HN LEU 79 82.755 -7.962 3.656 639 HA LEU 79 HA LEU 79 84.951 -7.252 1.911 640 HB2 LEU 79 HB2 LEU 79 84.860 -8.415 4.697 641 HB3 LEU 79 HB1 LEU 79 86.348 -7.928 3.913 642 HG LEU 79 HG LEU 79 85.600 -5.608 3.838 643 HD11 LEU 79 HD11 LEU 79 83.242 -5.761 3.494 644 HD12 LEU 79 HD12 LEU 79 83.430 -5.064 5.099 645 HD13 LEU 79 HD13 LEU 79 83.035 -6.772 4.928 646 HD21 LEU 79 HD21 LEU 79 85.315 -7.046 6.495 647 HD22 LEU 79 HD22 LEU 79 85.243 -5.284 6.380 648 HD23 LEU 79 HD23 LEU 79 86.702 -6.142 5.881 649 H ASP 80 HN ASP 80 84.241 -10.133 3.819 650 HA ASP 80 HA ASP 80 86.130 -11.932 2.876 651 HB2 ASP 80 HB2 ASP 80 84.458 -12.382 4.637 652 HB3 ASP 80 HB1 ASP 80 83.199 -12.479 3.402 653 H LYS 81 HN LYS 81 82.892 -11.422 1.567 654 HA LYS 81 HA LYS 81 82.871 -13.160 -0.558 655 HB2 LYS 81 HB2 LYS 81 81.966 -10.320 -0.912 656 HB3 LYS 81 HB1 LYS 81 81.223 -11.786 -1.547 657 HG2 LYS 81 HG2 LYS 81 81.249 -10.818 1.317 658 HG3 LYS 81 HG1 LYS 81 79.848 -11.058 0.284 659 HD2 LYS 81 HD2 LYS 81 80.427 -13.500 0.195 660 HD3 LYS 81 HD1 LYS 81 81.638 -13.191 1.433 661 HE2 LYS 81 HE2 LYS 81 80.018 -12.569 3.039 662 HE3 LYS 81 HE1 LYS 81 78.762 -12.364 1.819 663 HZ1 LYS 81 HZ1 LYS 81 78.298 -14.408 2.791 664 HZ2 LYS 81 HZ2 LYS 81 79.932 -14.870 2.857 665 HZ3 LYS 81 HZ3 LYS 81 79.117 -14.830 1.367 666 H TYR 82 HN TYR 82 84.058 -9.810 -0.710 667 HA TYR 82 HA TYR 82 85.188 -10.178 -3.349 668 HB2 TYR 82 HB2 TYR 82 84.518 -7.979 -1.967 669 HB3 TYR 82 HB1 TYR 82 86.219 -8.026 -1.520 670 HD1 TYR 82 HD1 TYR 82 84.001 -6.691 -3.853 671 HD2 TYR 82 HD2 TYR 82 87.810 -8.667 -3.650 672 HE1 TYR 82 HE1 TYR 82 84.616 -5.733 -6.055 673 HE2 TYR 82 HE2 TYR 82 88.424 -7.708 -5.852 674 HH TYR 82 HH TYR 82 86.100 -6.041 -7.842 675 H GLY 83 HN GLY 83 86.548 -10.155 -0.058 676 HA2 GLY 83 HA2 GLY 83 88.340 -11.923 0.308 677 HA3 GLY 83 HA1 GLY 83 89.090 -11.325 -1.173 678 H ILE 84 HN ILE 84 87.688 -8.759 0.401 679 HA ILE 84 HA ILE 84 90.164 -7.484 1.011 680 HB ILE 84 HB ILE 84 87.376 -6.919 2.061 681 HG12 ILE 84 HG12 ILE 84 88.796 -5.351 -0.092 682 HG13 ILE 84 HG11 ILE 84 87.998 -6.866 -0.518 683 HG21 ILE 84 HG21 ILE 84 88.932 -5.799 3.491 684 HG22 ILE 84 HG22 ILE 84 88.382 -4.583 2.342 685 HG23 ILE 84 HG23 ILE 84 89.961 -5.341 2.133 686 HD11 ILE 84 HD11 ILE 84 85.873 -6.060 0.125 687 HD12 ILE 84 HD12 ILE 84 86.616 -4.687 -0.696 688 HD13 ILE 84 HD13 ILE 84 86.563 -4.737 1.066 689 H GLN 85 HN GLN 85 90.895 -6.841 3.196 690 HA GLN 85 HA GLN 85 89.957 -8.183 5.557 691 HB2 GLN 85 HB2 GLN 85 91.260 -9.959 3.999 692 HB3 GLN 85 HB1 GLN 85 92.659 -9.237 4.782 693 HG2 GLN 85 HG2 GLN 85 92.180 -10.916 6.321 694 HG3 GLN 85 HG1 GLN 85 91.193 -9.617 6.987 695 HE21 GLN 85 HE21 GLN 85 89.053 -9.631 5.142 696 HE22 GLN 85 HE22 GLN 85 88.215 -11.092 5.285 697 H ALA 86 HN ALA 86 92.403 -8.297 6.957 698 HA ALA 86 HA ALA 86 92.859 -5.483 7.474 699 HB1 ALA 86 HB1 ALA 86 93.041 -6.964 9.336 700 HB2 ALA 86 HB2 ALA 86 94.692 -6.450 8.986 701 HB3 ALA 86 HB3 ALA 86 94.131 -8.037 8.459 702 H ASP 87 HN ASP 87 94.363 -7.901 5.489 703 HA ASP 87 HA ASP 87 96.913 -6.538 5.243 704 HB2 ASP 87 HB2 ASP 87 97.199 -8.085 3.274 705 HB3 ASP 87 HB1 ASP 87 96.808 -8.914 4.782 706 H ALA 88 HN ALA 88 93.798 -5.995 4.091 707 HA ALA 88 HA ALA 88 94.706 -4.501 1.679 708 HB1 ALA 88 HB1 ALA 88 92.184 -5.747 2.643 709 HB2 ALA 88 HB2 ALA 88 92.826 -5.666 1.006 710 HB3 ALA 88 HB3 ALA 88 91.993 -4.271 1.692 711 H LYS 89 HN LYS 89 95.291 -2.406 2.172 712 HA LYS 89 HA LYS 89 93.966 -1.046 4.461 713 HB2 LYS 89 HB2 LYS 89 96.144 0.181 2.780 714 HB3 LYS 89 HB1 LYS 89 95.734 0.498 4.463 715 HG2 LYS 89 HG2 LYS 89 96.832 -2.155 3.493 716 HG3 LYS 89 HG1 LYS 89 97.833 -0.854 4.099 717 HD2 LYS 89 HD2 LYS 89 97.038 -1.044 6.288 718 HD3 LYS 89 HD1 LYS 89 95.544 -1.822 5.784 719 HE2 LYS 89 HE2 LYS 89 97.053 -3.446 6.843 720 HE3 LYS 89 HE1 LYS 89 96.773 -3.831 5.144 721 HZ1 LYS 89 HZ1 LYS 89 99.003 -2.067 5.593 722 HZ2 LYS 89 HZ2 LYS 89 98.898 -3.461 4.628 723 HZ3 LYS 89 HZ3 LYS 89 99.200 -3.598 6.294 724 H LEU 90 HN LEU 90 92.246 0.098 4.102 725 HA LEU 90 HA LEU 90 91.658 1.143 1.390 726 HB2 LEU 90 HB2 LEU 90 89.838 1.358 3.778 727 HB3 LEU 90 HB1 LEU 90 89.413 1.314 2.068 728 HG LEU 90 HG LEU 90 90.542 -0.959 3.704 729 HD11 LEU 90 HD11 LEU 90 87.875 -0.662 2.303 730 HD12 LEU 90 HD12 LEU 90 88.122 -0.425 4.032 731 HD13 LEU 90 HD13 LEU 90 88.384 -2.014 3.314 732 HD21 LEU 90 HD21 LEU 90 89.998 -0.655 0.744 733 HD22 LEU 90 HD22 LEU 90 90.041 -2.241 1.522 734 HD23 LEU 90 HD23 LEU 90 91.475 -1.216 1.534 735 H GLN 91 HN GLN 91 90.475 3.367 1.532 736 HA GLN 91 HA GLN 91 91.902 5.229 3.375 737 HB2 GLN 91 HB2 GLN 91 91.379 5.805 0.444 738 HB3 GLN 91 HB1 GLN 91 92.335 6.767 1.565 739 HG2 GLN 91 HG2 GLN 91 94.154 5.304 1.477 740 HG3 GLN 91 HG1 GLN 91 93.175 3.936 1.005 741 HE21 GLN 91 HE21 GLN 91 92.378 6.772 -0.695 742 HE22 GLN 91 HE22 GLN 91 93.194 6.404 -2.126 743 H PHE 92 HN PHE 92 90.717 7.324 3.532 744 HA PHE 92 HA PHE 92 87.800 7.077 2.831 745 HB2 PHE 92 HB2 PHE 92 88.046 6.868 5.228 746 HB3 PHE 92 HB1 PHE 92 89.109 8.253 5.310 747 HD1 PHE 92 HD1 PHE 92 85.640 7.122 4.788 748 HD2 PHE 92 HD2 PHE 92 88.218 10.531 5.209 749 HE1 PHE 92 HE1 PHE 92 83.664 8.575 5.161 750 HE2 PHE 92 HE2 PHE 92 86.247 11.982 5.574 751 HZ PHE 92 HZ PHE 92 83.969 11.005 5.554 752 H THR 93 HN THR 93 88.106 8.203 0.907 753 HA THR 93 HA THR 93 89.176 11.002 1.101 754 HB THR 93 HB THR 93 90.382 10.337 -0.722 755 HG1 THR 93 HG1 THR 93 88.823 9.937 -2.645 756 HG21 THR 93 HG21 THR 93 89.947 8.212 -1.917 757 HG22 THR 93 HG22 THR 93 88.453 8.016 -1.000 758 HG23 THR 93 HG23 THR 93 90.009 7.981 -0.170 759 HA PRO 94 HA PRO 94 85.247 12.812 0.214 760 HB2 PRO 94 HB2 PRO 94 85.888 14.755 -1.641 761 HB3 PRO 94 HB1 PRO 94 86.254 14.889 0.091 762 HG2 PRO 94 HG2 PRO 94 88.040 14.060 -2.157 763 HG3 PRO 94 HG1 PRO 94 88.385 15.118 -0.776 764 HD2 PRO 94 HD2 PRO 94 89.206 12.539 -0.823 765 HD3 PRO 94 HD1 PRO 94 88.711 13.331 0.688 766 H TYR 541 HT1 TYR 541 61.929 38.434 12.071 767 HA TYR 541 HA TYR 541 59.976 37.189 13.819 768 HB2 TYR 541 HB2 TYR 541 61.842 38.691 14.557 769 HB3 TYR 541 HB1 TYR 541 61.099 40.002 13.640 770 HD1 TYR 541 HD1 TYR 541 60.370 37.495 16.323 771 HD2 TYR 541 HD2 TYR 541 59.406 41.320 14.620 772 HE1 TYR 541 HE1 TYR 541 58.859 37.965 18.233 773 HE2 TYR 541 HE2 TYR 541 57.896 41.790 16.530 774 HH TYR 541 HH TYR 541 57.859 40.835 19.120 775 H HIS 542 HN HIS 542 59.096 37.442 11.060 776 HA HIS 542 HA HIS 542 57.551 39.780 10.595 777 HB2 HIS 542 HB2 HIS 542 56.894 36.961 9.700 778 HB3 HIS 542 HB1 HIS 542 56.406 38.464 8.927 779 HD1 HIS 542 HD1 HIS 542 58.411 36.025 7.888 780 HD2 HIS 542 HD2 HIS 542 59.394 39.941 8.924 781 HE1 HIS 542 HE1 HIS 542 60.598 36.548 6.721 782 H GLU 543 HN GLU 543 54.930 39.030 10.234 783 HA GLU 543 HA GLU 543 53.999 38.684 13.040 784 HB2 GLU 543 HB2 GLU 543 52.867 40.564 12.351 785 HB3 GLU 543 HB1 GLU 543 53.106 40.187 10.652 786 HG2 GLU 543 HG2 GLU 543 50.705 40.182 11.325 787 HG3 GLU 543 HG1 GLU 543 51.237 38.628 10.684 788 H ARG 544 HN ARG 544 53.716 37.327 9.809 789 HA ARG 544 HA ARG 544 51.613 35.484 10.248 790 HB2 ARG 544 HB2 ARG 544 54.064 34.878 8.579 791 HB3 ARG 544 HB1 ARG 544 52.413 34.311 8.330 792 HG2 ARG 544 HG2 ARG 544 53.317 37.194 8.119 793 HG3 ARG 544 HG1 ARG 544 53.003 36.131 6.756 794 HD2 ARG 544 HD2 ARG 544 50.657 35.854 8.136 795 HD3 ARG 544 HD1 ARG 544 51.074 37.516 8.541 796 HE ARG 544 HE ARG 544 49.947 36.706 6.096 797 HH11 ARG 544 HH11 ARG 544 50.254 37.746 4.131 798 HH12 ARG 544 HH12 ARG 544 51.577 38.848 3.941 799 HH21 ARG 544 HH21 ARG 544 52.735 38.445 7.172 800 HH22 ARG 544 HH22 ARG 544 52.980 39.233 5.654 801 H ARG 545 HN ARG 545 51.490 33.690 11.534 802 HA ARG 545 HA ARG 545 53.731 32.921 13.193 803 HB2 ARG 545 HB2 ARG 545 51.259 31.236 12.787 804 HB3 ARG 545 HB1 ARG 545 52.230 31.447 14.238 805 HG2 ARG 545 HG2 ARG 545 50.467 33.552 12.975 806 HG3 ARG 545 HG1 ARG 545 50.106 32.641 14.431 807 HD2 ARG 545 HD2 ARG 545 52.457 33.594 15.224 808 HD3 ARG 545 HD1 ARG 545 52.106 34.841 14.031 809 HE ARG 545 HE ARG 545 50.990 34.697 16.635 810 HH11 ARG 545 HH11 ARG 545 48.995 35.554 17.208 811 HH12 ARG 545 HH12 ARG 545 47.871 36.007 15.970 812 HH21 ARG 545 HH21 ARG 545 49.956 35.102 13.365 813 HH22 ARG 545 HH22 ARG 545 48.411 35.741 13.803 814 H GLY 546 HN GLY 546 53.068 30.042 13.055 815 HA2 GLY 546 HA2 GLY 546 53.493 28.919 10.491 816 HA3 GLY 546 HA1 GLY 546 55.083 29.201 11.202 817 H SER 547 HN SER 547 55.853 27.684 12.569 818 HA SER 547 HA SER 547 54.125 26.068 14.268 819 HB2 SER 547 HB2 SER 547 55.264 24.975 11.718 820 HB3 SER 547 HB1 SER 547 55.264 23.930 13.135 821 HG SER 547 HG SER 547 53.248 24.525 11.516 822 H LEU 548 HN LEU 548 55.369 26.099 16.090 823 HA LEU 548 HA LEU 548 58.085 26.818 16.113 824 HB2 LEU 548 HB2 LEU 548 56.141 25.753 18.069 825 HB3 LEU 548 HB1 LEU 548 57.817 25.406 18.470 826 HG LEU 548 HG LEU 548 58.292 27.891 18.081 827 HD11 LEU 548 HD11 LEU 548 55.285 27.881 17.911 828 HD12 LEU 548 HD12 LEU 548 56.447 28.625 16.820 829 HD13 LEU 548 HD13 LEU 548 56.175 29.315 18.413 830 HD21 LEU 548 HD21 LEU 548 57.859 26.734 20.348 831 HD22 LEU 548 HD22 LEU 548 56.268 27.484 20.269 832 HD23 LEU 548 HD23 LEU 548 57.720 28.489 20.273 833 H CYS 549 HN CYS 549 60.000 25.712 15.899 834 HA CYS 549 HA CYS 549 59.813 22.897 15.051 835 HB2 CYS 549 HB2 CYS 549 61.470 24.005 13.815 836 HB3 CYS 549 HB1 CYS 549 61.968 24.998 15.169 837 H SER 550 HN SER 550 59.369 21.641 16.758 838 HA SER 550 HA SER 550 59.900 22.059 19.442 839 HB2 SER 550 HB2 SER 550 58.493 20.263 19.026 840 HB3 SER 550 HB1 SER 550 59.557 19.577 17.803 841 HG SER 550 HG SER 550 59.820 19.559 20.618 842 H GLY 551 HN GLY 551 61.649 22.232 20.571 843 HA2 GLY 551 HA2 GLY 551 63.856 21.342 21.299 844 HA3 GLY 551 HA1 GLY 551 64.217 21.027 19.597 845 H CYS 552 HN CYS 552 63.041 23.380 18.580 846 HA CYS 552 HA CYS 552 65.069 25.423 19.372 847 HB2 CYS 552 HB2 CYS 552 63.433 24.835 16.922 848 HB3 CYS 552 HB1 CYS 552 64.024 26.464 17.174 849 H GLN 553 HN GLN 553 61.665 24.734 18.900 850 HA GLN 553 HA GLN 553 59.767 25.872 19.465 851 HB2 GLN 553 HB2 GLN 553 61.546 26.889 21.664 852 HB3 GLN 553 HB1 GLN 553 59.796 27.117 21.608 853 HG2 GLN 553 HG2 GLN 553 61.145 24.420 21.455 854 HG3 GLN 553 HG1 GLN 553 60.509 25.104 22.937 855 HE21 GLN 553 HE21 GLN 553 59.595 23.898 19.737 856 HE22 GLN 553 HE22 GLN 553 57.966 23.597 20.112 857 H LYS 554 HN LYS 554 60.675 26.853 17.414 858 HA LYS 554 HA LYS 554 60.270 29.781 17.610 859 HB2 LYS 554 HB2 LYS 554 62.457 28.437 15.989 860 HB3 LYS 554 HB1 LYS 554 62.015 30.136 15.843 861 HG2 LYS 554 HG2 LYS 554 62.965 28.823 18.403 862 HG3 LYS 554 HG1 LYS 554 63.993 29.759 17.324 863 HD2 LYS 554 HD2 LYS 554 62.139 31.619 17.643 864 HD3 LYS 554 HD1 LYS 554 61.748 30.697 19.095 865 HE2 LYS 554 HE2 LYS 554 63.328 32.318 19.809 866 HE3 LYS 554 HE1 LYS 554 64.247 30.820 19.659 867 HZ1 LYS 554 HZ1 LYS 554 65.522 32.428 18.574 868 HZ2 LYS 554 HZ2 LYS 554 64.176 33.123 17.805 869 HZ3 LYS 554 HZ3 LYS 554 64.745 31.599 17.315 870 HA PRO 555 HA PRO 555 57.124 28.342 14.665 871 HB2 PRO 555 HB2 PRO 555 57.420 31.057 13.508 872 HB3 PRO 555 HB1 PRO 555 55.956 30.208 14.028 873 HG2 PRO 555 HG2 PRO 555 57.148 32.214 15.489 874 HG3 PRO 555 HG1 PRO 555 56.164 30.938 16.212 875 HD2 PRO 555 HD2 PRO 555 59.079 31.353 16.422 876 HD3 PRO 555 HD1 PRO 555 58.034 30.285 17.391 877 H ILE 556 HN ILE 556 57.321 27.265 12.857 878 HA ILE 556 HA ILE 556 59.703 27.603 11.134 879 HB ILE 556 HB ILE 556 57.488 25.529 11.276 880 HG12 ILE 556 HG12 ILE 556 60.417 25.007 11.760 881 HG13 ILE 556 HG11 ILE 556 59.467 25.717 13.048 882 HG21 ILE 556 HG21 ILE 556 59.026 24.260 9.718 883 HG22 ILE 556 HG22 ILE 556 59.870 25.780 9.439 884 HG23 ILE 556 HG23 ILE 556 58.171 25.620 8.995 885 HD11 ILE 556 HD11 ILE 556 58.302 23.771 13.436 886 HD12 ILE 556 HD12 ILE 556 59.689 23.029 12.653 887 HD13 ILE 556 HD13 ILE 556 58.228 23.348 11.725 888 H THR 557 HN THR 557 59.214 29.425 9.848 889 HA THR 557 HA THR 557 56.564 29.520 8.491 890 HB THR 557 HB THR 557 56.957 31.814 8.172 891 HG1 THR 557 HG1 THR 557 59.577 30.975 8.150 892 HG21 THR 557 HG21 THR 557 57.452 32.598 10.377 893 HG22 THR 557 HG22 THR 557 58.488 31.208 10.705 894 HG23 THR 557 HG23 THR 557 56.742 30.994 10.579 895 H GLY 558 HN GLY 558 56.869 27.954 6.916 896 HA2 GLY 558 HA2 GLY 558 57.535 28.602 4.358 897 HA3 GLY 558 HA1 GLY 558 59.093 28.083 5.018 898 H ARG 559 HN ARG 559 59.413 25.937 5.479 899 HA ARG 559 HA ARG 559 57.236 24.019 4.738 900 HB2 ARG 559 HB2 ARG 559 60.227 24.019 4.368 901 HB3 ARG 559 HB1 ARG 559 59.403 22.471 4.557 902 HG2 ARG 559 HG2 ARG 559 58.344 24.491 2.592 903 HG3 ARG 559 HG1 ARG 559 59.727 23.506 2.150 904 HD2 ARG 559 HD2 ARG 559 58.517 21.505 2.271 905 HD3 ARG 559 HD1 ARG 559 57.268 22.188 3.303 906 HE ARG 559 HE ARG 559 57.288 22.083 0.415 907 HH11 ARG 559 HH11 ARG 559 55.967 23.372 -0.849 908 HH12 ARG 559 HH12 ARG 559 55.172 24.739 -0.141 909 HH21 ARG 559 HH21 ARG 559 56.480 24.206 3.021 910 HH22 ARG 559 HH22 ARG 559 55.461 25.209 2.043 911 H CYS 560 HN CYS 560 56.964 22.232 6.217 912 HA CYS 560 HA CYS 560 58.592 22.323 8.696 913 HB2 CYS 560 HB2 CYS 560 56.576 22.314 10.123 914 HB3 CYS 560 HB1 CYS 560 56.727 23.808 9.195 915 HG CYS 560 HG CYS 560 54.271 22.443 9.092 916 H ILE 561 HN ILE 561 59.143 20.414 9.312 917 HA ILE 561 HA ILE 561 57.782 18.040 8.199 918 HB ILE 561 HB ILE 561 60.287 18.378 9.872 919 HG12 ILE 561 HG12 ILE 561 59.761 17.810 6.963 920 HG13 ILE 561 HG11 ILE 561 60.451 19.282 7.621 921 HG21 ILE 561 HG21 ILE 561 59.076 16.113 10.109 922 HG22 ILE 561 HG22 ILE 561 60.740 16.059 9.532 923 HG23 ILE 561 HG23 ILE 561 59.412 15.896 8.389 924 HD11 ILE 561 HD11 ILE 561 61.670 16.516 7.559 925 HD12 ILE 561 HD12 ILE 561 62.296 17.799 8.608 926 HD13 ILE 561 HD13 ILE 561 62.316 18.003 6.852 927 H THR 562 HN THR 562 56.834 16.541 9.493 928 HA THR 562 HA THR 562 56.326 17.306 12.344 929 HB THR 562 HB THR 562 54.392 15.742 10.645 930 HG1 THR 562 HG1 THR 562 53.495 18.163 11.135 931 HG21 THR 562 HG21 THR 562 54.326 15.620 13.169 932 HG22 THR 562 HG22 THR 562 52.847 16.236 12.427 933 HG23 THR 562 HG23 THR 562 53.991 17.352 13.173 934 H ALA 563 HN ALA 563 56.326 15.693 13.820 935 HA ALA 563 HA ALA 563 57.309 13.018 12.909 936 HB1 ALA 563 HB1 ALA 563 59.005 14.560 14.011 937 HB2 ALA 563 HB2 ALA 563 58.792 12.979 14.780 938 HB3 ALA 563 HB3 ALA 563 58.039 14.412 15.481 939 H MET 564 HN MET 564 57.213 12.790 16.059 940 HA MET 564 HA MET 564 54.798 11.256 16.185 941 HB2 MET 564 HB2 MET 564 56.131 12.444 18.605 942 HB3 MET 564 HB1 MET 564 55.416 10.843 18.404 943 HG2 MET 564 HG2 MET 564 57.291 10.444 16.658 944 HG3 MET 564 HG1 MET 564 58.053 11.866 17.368 945 HE1 MET 564 HE1 MET 564 59.068 8.395 17.517 946 HE2 MET 564 HE2 MET 564 60.184 9.049 18.713 947 HE3 MET 564 HE3 MET 564 59.772 10.002 17.290 948 H ALA 565 HN ALA 565 54.656 14.080 15.384 949 HA ALA 565 HA ALA 565 52.636 15.423 15.448 950 HB1 ALA 565 HB1 ALA 565 52.768 15.183 18.466 951 HB2 ALA 565 HB2 ALA 565 51.734 14.150 17.470 952 HB3 ALA 565 HB3 ALA 565 51.481 15.891 17.494 953 H LYS 566 HN LYS 566 55.695 15.333 16.727 954 HA LYS 566 HA LYS 566 55.831 18.127 17.614 955 HB2 LYS 566 HB2 LYS 566 58.089 16.223 16.931 956 HB3 LYS 566 HB1 LYS 566 58.199 17.678 17.902 957 HG2 LYS 566 HG2 LYS 566 56.496 15.281 18.636 958 HG3 LYS 566 HG1 LYS 566 58.122 15.552 19.240 959 HD2 LYS 566 HD2 LYS 566 57.096 16.667 20.961 960 HD3 LYS 566 HD1 LYS 566 56.939 17.992 19.812 961 HE2 LYS 566 HE2 LYS 566 54.734 17.749 20.537 962 HE3 LYS 566 HE1 LYS 566 54.724 16.712 19.113 963 HZ1 LYS 566 HZ1 LYS 566 53.844 15.320 20.676 964 HZ2 LYS 566 HZ2 LYS 566 54.753 15.977 21.952 965 HZ3 LYS 566 HZ3 LYS 566 55.487 14.930 20.834 966 H LYS 567 HN LYS 567 56.931 19.795 16.389 967 HA LYS 567 HA LYS 567 56.867 19.298 13.443 968 HB2 LYS 567 HB2 LYS 567 57.350 21.964 14.726 969 HB3 LYS 567 HB1 LYS 567 56.610 21.617 13.178 970 HG2 LYS 567 HG2 LYS 567 55.400 21.060 15.908 971 HG3 LYS 567 HG1 LYS 567 54.896 22.317 14.787 972 HD2 LYS 567 HD2 LYS 567 54.739 19.319 14.252 973 HD3 LYS 567 HD1 LYS 567 53.386 20.375 14.658 974 HE2 LYS 567 HE2 LYS 567 54.119 21.780 12.603 975 HE3 LYS 567 HE1 LYS 567 55.036 20.348 12.140 976 HZ1 LYS 567 HZ1 LYS 567 52.666 19.286 12.774 977 HZ2 LYS 567 HZ2 LYS 567 53.118 19.735 11.199 978 HZ3 LYS 567 HZ3 LYS 567 52.181 20.786 12.149 979 H PHE 568 HN PHE 568 58.790 20.622 12.279 980 HA PHE 568 HA PHE 568 61.229 20.659 13.903 981 HB2 PHE 568 HB2 PHE 568 60.429 18.242 12.447 982 HB3 PHE 568 HB1 PHE 568 62.018 18.790 11.935 983 HD1 PHE 568 HD1 PHE 568 63.766 19.273 13.755 984 HD2 PHE 568 HD2 PHE 568 60.133 17.108 14.511 985 HE1 PHE 568 HE1 PHE 568 64.758 18.331 15.823 986 HE2 PHE 568 HE2 PHE 568 61.126 16.166 16.579 987 HZ PHE 568 HZ PHE 568 63.438 16.777 17.235 988 H HIS 569 HN HIS 569 62.641 21.996 13.071 989 HA HIS 569 HA HIS 569 62.273 23.641 10.817 990 HB2 HIS 569 HB2 HIS 569 64.516 22.741 12.488 991 HB3 HIS 569 HB1 HIS 569 64.990 23.478 10.972 992 HD2 HIS 569 HD2 HIS 569 63.125 26.105 10.917 993 HE1 HIS 569 HE1 HIS 569 64.437 26.762 14.879 994 HA PRO 570 HA PRO 570 62.517 20.130 7.842 995 HB2 PRO 570 HB2 PRO 570 63.070 22.398 5.976 996 HB3 PRO 570 HB1 PRO 570 61.921 21.059 5.811 997 HG2 PRO 570 HG2 PRO 570 61.116 23.560 6.485 998 HG3 PRO 570 HG1 PRO 570 60.300 22.112 7.087 999 HD2 PRO 570 HD2 PRO 570 62.029 24.021 8.562 1000 HD3 PRO 570 HD1 PRO 570 60.801 22.889 9.190 1001 H GLU 571 HN GLU 571 65.045 22.177 8.838 1002 HA GLU 571 HA GLU 571 67.043 20.697 7.158 1003 HB2 GLU 571 HB2 GLU 571 67.678 23.167 8.756 1004 HB3 GLU 571 HB1 GLU 571 68.453 22.556 7.294 1005 HG2 GLU 571 HG2 GLU 571 66.166 22.963 6.155 1006 HG3 GLU 571 HG1 GLU 571 65.799 23.948 7.572 1007 H HIS 572 HN HIS 572 66.607 22.121 10.339 1008 HA HIS 572 HA HIS 572 68.635 20.938 11.841 1009 HB2 HIS 572 HB2 HIS 572 66.589 22.512 12.332 1010 HB3 HIS 572 HB1 HIS 572 65.817 21.037 12.885 1011 HD2 HIS 572 HD2 HIS 572 69.255 20.494 14.055 1012 HE1 HIS 572 HE1 HIS 572 67.576 22.960 17.041 1013 H PHE 573 HN PHE 573 66.054 19.415 10.236 1014 HA PHE 573 HA PHE 573 66.503 16.844 11.719 1015 HB2 PHE 573 HB2 PHE 573 64.179 17.874 11.859 1016 HB3 PHE 573 HB1 PHE 573 64.055 17.605 10.121 1017 HD1 PHE 573 HD1 PHE 573 63.425 15.493 9.275 1018 HD2 PHE 573 HD2 PHE 573 64.766 15.844 13.341 1019 HE1 PHE 573 HE1 PHE 573 62.808 13.128 9.683 1020 HE2 PHE 573 HE2 PHE 573 64.149 13.478 13.749 1021 HZ PHE 573 HZ PHE 573 63.170 12.119 11.921 1022 H VAL 574 HN VAL 574 68.309 17.383 9.856 1023 HA VAL 574 HA VAL 574 67.438 16.351 7.250 1024 HB VAL 574 HB VAL 574 69.868 16.687 6.663 1025 HG11 VAL 574 HG11 VAL 574 69.068 18.673 5.939 1026 HG12 VAL 574 HG12 VAL 574 69.369 19.384 7.503 1027 HG13 VAL 574 HG13 VAL 574 67.805 18.649 7.150 1028 HG21 VAL 574 HG21 VAL 574 69.954 18.002 9.405 1029 HG22 VAL 574 HG22 VAL 574 71.287 17.895 8.239 1030 HG23 VAL 574 HG23 VAL 574 70.682 16.432 9.024 1031 H CYS 575 HN CYS 575 69.143 14.650 6.309 1032 HA CYS 575 HA CYS 575 69.027 12.265 7.982 1033 HB2 CYS 575 HB2 CYS 575 69.078 11.488 5.837 1034 HB3 CYS 575 HB1 CYS 575 69.853 12.951 5.244 1035 H ALA 576 HN ALA 576 70.738 11.313 9.224 1036 HA ALA 576 HA ALA 576 73.037 13.191 9.602 1037 HB1 ALA 576 HB1 ALA 576 73.500 11.982 11.580 1038 HB2 ALA 576 HB2 ALA 576 72.655 10.541 11.014 1039 HB3 ALA 576 HB3 ALA 576 71.737 11.968 11.501 1040 H PHE 577 HN PHE 577 73.610 12.712 7.394 1041 HA PHE 577 HA PHE 577 75.853 10.880 7.283 1042 HB2 PHE 577 HB2 PHE 577 73.823 9.634 6.141 1043 HB3 PHE 577 HB1 PHE 577 74.029 10.823 4.858 1044 HD1 PHE 577 HD1 PHE 577 74.431 7.802 4.503 1045 HD2 PHE 577 HD2 PHE 577 77.253 10.886 5.485 1046 HE1 PHE 577 HE1 PHE 577 76.258 6.454 3.561 1047 HE2 PHE 577 HE2 PHE 577 79.062 9.524 4.562 1048 HZ PHE 577 HZ PHE 577 78.574 7.310 3.597 1049 H CYS 578 HN CYS 578 73.664 12.798 5.368 1050 HA CYS 578 HA CYS 578 75.796 14.743 4.614 1051 HB2 CYS 578 HB2 CYS 578 73.732 15.466 3.045 1052 HB3 CYS 578 HB1 CYS 578 74.820 14.169 2.566 1053 H LEU 579 HN LEU 579 75.142 17.028 4.941 1054 HA LEU 579 HA LEU 579 73.268 17.322 7.229 1055 HB2 LEU 579 HB2 LEU 579 75.015 19.620 6.488 1056 HB3 LEU 579 HB1 LEU 579 74.623 18.961 8.070 1057 HG LEU 579 HG LEU 579 76.980 18.675 7.626 1058 HD11 LEU 579 HD11 LEU 579 76.037 15.873 7.196 1059 HD12 LEU 579 HD12 LEU 579 75.436 16.733 8.614 1060 HD13 LEU 579 HD13 LEU 579 77.170 16.520 8.381 1061 HD21 LEU 579 HD21 LEU 579 76.290 18.369 4.955 1062 HD22 LEU 579 HD22 LEU 579 76.824 16.749 5.412 1063 HD23 LEU 579 HD23 LEU 579 77.890 18.129 5.648 1064 H LYS 580 HN LYS 580 72.747 17.553 4.004 1065 HA LYS 580 HA LYS 580 71.687 20.348 4.119 1066 HB2 LYS 580 HB2 LYS 580 71.934 20.462 1.835 1067 HB3 LYS 580 HB1 LYS 580 73.198 19.318 2.246 1068 HG2 LYS 580 HG2 LYS 580 70.430 18.518 1.259 1069 HG3 LYS 580 HG1 LYS 580 71.860 18.643 0.254 1070 HD2 LYS 580 HD2 LYS 580 72.947 16.849 1.344 1071 HD3 LYS 580 HD1 LYS 580 71.829 16.880 2.703 1072 HE2 LYS 580 HE2 LYS 580 71.450 15.025 0.999 1073 HE3 LYS 580 HE1 LYS 580 70.048 16.016 1.404 1074 HZ1 LYS 580 HZ1 LYS 580 70.736 15.544 -1.079 1075 HZ2 LYS 580 HZ2 LYS 580 71.738 16.891 -0.814 1076 HZ3 LYS 580 HZ3 LYS 580 70.056 17.026 -0.613 1077 H GLN 581 HN GLN 581 70.222 17.056 3.401 1078 HA GLN 581 HA GLN 581 67.724 18.271 4.244 1079 HB2 GLN 581 HB2 GLN 581 68.028 19.128 1.928 1080 HB3 GLN 581 HB1 GLN 581 67.792 17.479 1.352 1081 HG2 GLN 581 HG2 GLN 581 65.643 18.502 1.272 1082 HG3 GLN 581 HG1 GLN 581 65.607 17.505 2.711 1083 HE21 GLN 581 HE21 GLN 581 66.060 18.680 4.822 1084 HE22 GLN 581 HE22 GLN 581 65.603 20.302 4.936 1085 H LEU 582 HN LEU 582 66.136 17.003 4.774 1086 HA LEU 582 HA LEU 582 66.094 14.164 3.952 1087 HB2 LEU 582 HB2 LEU 582 67.146 14.474 6.237 1088 HB3 LEU 582 HB1 LEU 582 65.587 15.055 6.793 1089 HG LEU 582 HG LEU 582 64.578 12.898 6.113 1090 HD11 LEU 582 HD11 LEU 582 67.283 12.494 4.954 1091 HD12 LEU 582 HD12 LEU 582 65.740 11.784 4.492 1092 HD13 LEU 582 HD13 LEU 582 66.646 11.101 5.837 1093 HD21 LEU 582 HD21 LEU 582 66.875 13.006 8.060 1094 HD22 LEU 582 HD22 LEU 582 65.952 11.518 7.848 1095 HD23 LEU 582 HD23 LEU 582 65.143 12.990 8.380 1096 H ASN 583 HN ASN 583 63.810 13.270 4.533 1097 HA ASN 583 HA ASN 583 61.737 15.378 4.792 1098 HB2 ASN 583 HB2 ASN 583 62.270 13.799 2.278 1099 HB3 ASN 583 HB1 ASN 583 60.616 14.255 2.666 1100 HD21 ASN 583 HD21 ASN 583 61.728 15.329 0.381 1101 HD22 ASN 583 HD22 ASN 583 62.061 16.973 0.610 1102 H LYS 584 HN LYS 584 59.992 14.614 5.857 1103 HA LYS 584 HA LYS 584 59.938 12.168 7.196 1104 HB2 LYS 584 HB2 LYS 584 57.426 12.582 7.293 1105 HB3 LYS 584 HB1 LYS 584 58.445 13.914 7.844 1106 HG2 LYS 584 HG2 LYS 584 58.097 15.173 5.885 1107 HG3 LYS 584 HG1 LYS 584 57.572 13.765 4.953 1108 HD2 LYS 584 HD2 LYS 584 55.661 15.221 5.548 1109 HD3 LYS 584 HD1 LYS 584 55.530 13.630 6.291 1110 HE2 LYS 584 HE2 LYS 584 56.239 14.457 8.422 1111 HE3 LYS 584 HE1 LYS 584 56.742 15.997 7.726 1112 HZ1 LYS 584 HZ1 LYS 584 54.692 16.786 7.900 1113 HZ2 LYS 584 HZ2 LYS 584 54.293 15.411 8.814 1114 HZ3 LYS 584 HZ3 LYS 584 54.018 15.429 7.138 1115 H GLY 585 HN GLY 585 59.302 12.822 3.881 1116 HA2 GLY 585 HA2 GLY 585 57.738 10.369 3.453 1117 HA3 GLY 585 HA1 GLY 585 58.222 11.528 2.217 1118 H THR 586 HN THR 586 60.988 11.427 3.417 1119 HA THR 586 HA THR 586 61.861 8.730 2.465 1120 HB THR 586 HB THR 586 63.393 9.607 0.946 1121 HG1 THR 586 HG1 THR 586 63.499 12.198 1.436 1122 HG21 THR 586 HG21 THR 586 61.034 10.227 0.305 1123 HG22 THR 586 HG22 THR 586 62.263 11.284 -0.392 1124 HG23 THR 586 HG23 THR 586 61.320 11.823 1.001 1125 H PHE 587 HN PHE 587 61.539 10.074 5.133 1126 HA PHE 587 HA PHE 587 64.366 10.371 5.988 1127 HB2 PHE 587 HB2 PHE 587 63.614 11.281 7.990 1128 HB3 PHE 587 HB1 PHE 587 62.418 11.846 6.846 1129 HD1 PHE 587 HD1 PHE 587 62.612 10.829 10.053 1130 HD2 PHE 587 HD2 PHE 587 60.571 9.662 6.461 1131 HE1 PHE 587 HE1 PHE 587 60.831 9.766 11.406 1132 HE2 PHE 587 HE2 PHE 587 58.793 8.601 7.812 1133 HZ PHE 587 HZ PHE 587 58.921 8.651 10.287 1134 H LYS 588 HN LYS 588 65.410 8.564 6.247 1135 HA LYS 588 HA LYS 588 64.115 6.204 7.516 1136 HB2 LYS 588 HB2 LYS 588 65.762 6.501 5.244 1137 HB3 LYS 588 HB1 LYS 588 66.837 5.889 6.458 1138 HG2 LYS 588 HG2 LYS 588 65.751 4.111 5.051 1139 HG3 LYS 588 HG1 LYS 588 65.555 3.903 6.776 1140 HD2 LYS 588 HD2 LYS 588 63.519 3.519 5.166 1141 HD3 LYS 588 HD1 LYS 588 63.266 4.321 6.696 1142 HE2 LYS 588 HE2 LYS 588 62.871 6.384 5.684 1143 HE3 LYS 588 HE1 LYS 588 63.884 6.012 4.307 1144 HZ1 LYS 588 HZ1 LYS 588 62.217 4.418 3.568 1145 HZ2 LYS 588 HZ2 LYS 588 61.585 5.992 3.671 1146 HZ3 LYS 588 HZ3 LYS 588 61.226 4.848 4.875 1147 H GLU 589 HN GLU 589 65.720 5.021 9.070 1148 HA GLU 589 HA GLU 589 67.560 6.903 10.435 1149 HB2 GLU 589 HB2 GLU 589 65.658 7.562 11.610 1150 HB3 GLU 589 HB1 GLU 589 64.939 5.957 11.573 1151 HG2 GLU 589 HG2 GLU 589 66.445 5.158 13.260 1152 HG3 GLU 589 HG1 GLU 589 67.463 6.597 13.133 1153 H GLN 590 HN GLN 590 68.829 5.934 12.010 1154 HA GLN 590 HA GLN 590 68.823 3.029 12.367 1155 HB2 GLN 590 HB2 GLN 590 70.167 3.705 10.193 1156 HB3 GLN 590 HB1 GLN 590 71.374 4.277 11.334 1157 HG2 GLN 590 HG2 GLN 590 72.117 2.097 11.151 1158 HG3 GLN 590 HG1 GLN 590 70.927 1.850 12.426 1159 HE21 GLN 590 HE21 GLN 590 71.553 1.392 8.968 1160 HE22 GLN 590 HE22 GLN 590 70.259 0.329 8.694 1161 H ASN 591 HN ASN 591 69.990 2.519 14.289 1162 HA ASN 591 HA ASN 591 70.634 3.040 16.474 1163 HB2 ASN 591 HB2 ASN 591 72.699 4.821 16.269 1164 HB3 ASN 591 HB1 ASN 591 72.864 3.106 15.956 1165 HD21 ASN 591 HD21 ASN 591 72.130 2.560 13.564 1166 HD22 ASN 591 HD22 ASN 591 72.755 3.586 12.372 1167 H ASP 592 HN ASP 592 68.540 4.824 15.202 1168 HA ASP 592 HA ASP 592 67.172 6.498 16.149 1169 HB2 ASP 592 HB2 ASP 592 69.411 7.421 17.930 1170 HB3 ASP 592 HB1 ASP 592 67.672 7.507 18.197 1171 H LYS 593 HN LYS 593 70.065 6.859 14.572 1172 HA LYS 593 HA LYS 593 70.049 9.790 14.465 1173 HB2 LYS 593 HB2 LYS 593 71.738 7.825 12.946 1174 HB3 LYS 593 HB1 LYS 593 72.063 9.534 13.198 1175 HG2 LYS 593 HG2 LYS 593 71.946 8.910 15.745 1176 HG3 LYS 593 HG1 LYS 593 72.213 7.266 15.171 1177 HD2 LYS 593 HD2 LYS 593 74.285 7.920 14.084 1178 HD3 LYS 593 HD1 LYS 593 74.000 9.618 14.474 1179 HE2 LYS 593 HE2 LYS 593 74.281 7.433 16.557 1180 HE3 LYS 593 HE1 LYS 593 75.610 8.469 16.035 1181 HZ1 LYS 593 HZ1 LYS 593 73.294 9.104 17.674 1182 HZ2 LYS 593 HZ2 LYS 593 73.774 10.298 16.564 1183 HZ3 LYS 593 HZ3 LYS 593 74.870 9.728 17.732 1184 HA PRO 594 HA PRO 594 67.140 9.624 10.946 1185 HB2 PRO 594 HB2 PRO 594 68.495 12.163 10.180 1186 HB3 PRO 594 HB1 PRO 594 66.776 11.836 10.408 1187 HG2 PRO 594 HG2 PRO 594 68.297 13.250 12.195 1188 HG3 PRO 594 HG1 PRO 594 66.864 12.323 12.662 1189 HD2 PRO 594 HD2 PRO 594 69.717 11.731 13.209 1190 HD3 PRO 594 HD1 PRO 594 68.257 11.094 14.008 1191 H TYR 595 HN TYR 595 67.335 9.534 8.543 1192 HA TYR 595 HA TYR 595 69.933 9.596 7.255 1193 HB2 TYR 595 HB2 TYR 595 68.842 6.984 8.253 1194 HB3 TYR 595 HB1 TYR 595 69.701 7.005 6.723 1195 HD1 TYR 595 HD1 TYR 595 71.969 8.453 6.813 1196 HD2 TYR 595 HD2 TYR 595 70.126 6.485 10.150 1197 HE1 TYR 595 HE1 TYR 595 74.167 8.339 7.968 1198 HE2 TYR 595 HE2 TYR 595 72.324 6.385 11.296 1199 HH TYR 595 HH TYR 595 75.012 6.469 10.129 1200 H CYS 596 HN CYS 596 69.636 9.559 4.980 1201 HA CYS 596 HA CYS 596 66.866 9.529 4.001 1202 HB2 CYS 596 HB2 CYS 596 69.297 9.333 2.209 1203 HB3 CYS 596 HB1 CYS 596 67.740 10.070 1.870 1204 H GLN 597 HN GLN 597 66.129 7.817 2.449 1205 HA GLN 597 HA GLN 597 66.879 5.240 3.410 1206 HB2 GLN 597 HB2 GLN 597 64.772 5.195 2.406 1207 HB3 GLN 597 HB1 GLN 597 65.254 6.272 1.127 1208 HG2 GLN 597 HG2 GLN 597 65.046 4.262 -0.036 1209 HG3 GLN 597 HG1 GLN 597 66.747 4.227 0.375 1210 HE21 GLN 597 HE21 GLN 597 66.065 3.726 3.279 1211 HE22 GLN 597 HE22 GLN 597 65.631 2.105 3.349 1212 H ASN 598 HN ASN 598 67.614 6.839 0.312 1213 HA ASN 598 HA ASN 598 69.472 5.042 -0.720 1214 HB2 ASN 598 HB2 ASN 598 70.157 7.962 -0.856 1215 HB3 ASN 598 HB1 ASN 598 70.126 6.761 -2.140 1216 HD21 ASN 598 HD21 ASN 598 67.695 5.777 -2.274 1217 HD22 ASN 598 HD22 ASN 598 66.500 6.967 -2.418 1218 H CYS 599 HN CYS 599 69.829 7.253 1.961 1219 HA CYS 599 HA CYS 599 72.712 6.868 2.190 1220 HB2 CYS 599 HB2 CYS 599 70.589 8.259 3.805 1221 HB3 CYS 599 HB1 CYS 599 72.149 7.940 4.539 1222 H PHE 600 HN PHE 600 69.984 6.039 4.360 1223 HA PHE 600 HA PHE 600 71.377 4.227 6.018 1224 HB2 PHE 600 HB2 PHE 600 69.323 4.762 6.929 1225 HB3 PHE 600 HB1 PHE 600 68.540 4.822 5.358 1226 HD1 PHE 600 HD1 PHE 600 69.473 2.687 8.200 1227 HD2 PHE 600 HD2 PHE 600 67.648 2.784 4.315 1228 HE1 PHE 600 HE1 PHE 600 68.483 0.446 8.605 1229 HE2 PHE 600 HE2 PHE 600 66.667 0.544 4.717 1230 HZ PHE 600 HZ PHE 600 67.084 -0.625 6.863 1231 H LEU 601 HN LEU 601 69.225 3.402 3.268 1232 HA LEU 601 HA LEU 601 69.581 0.654 3.299 1233 HB2 LEU 601 HB2 LEU 601 68.309 0.816 1.423 1234 HB3 LEU 601 HB1 LEU 601 68.471 2.554 1.549 1235 HG LEU 601 HG LEU 601 70.583 2.375 0.161 1236 HD11 LEU 601 HD11 LEU 601 69.971 -0.486 0.459 1237 HD12 LEU 601 HD12 LEU 601 71.454 0.286 -0.095 1238 HD13 LEU 601 HD13 LEU 601 70.153 -0.028 -1.233 1239 HD21 LEU 601 HD21 LEU 601 68.060 1.299 -1.120 1240 HD22 LEU 601 HD22 LEU 601 69.360 2.169 -1.934 1241 HD23 LEU 601 HD23 LEU 601 68.351 2.998 -0.752 1242 H LYS 602 HN LYS 602 71.751 3.078 1.873 1243 HA LYS 602 HA LYS 602 73.585 1.256 0.712 1244 HB2 LYS 602 HB2 LYS 602 73.500 3.814 0.488 1245 HB3 LYS 602 HB1 LYS 602 74.398 3.859 2.000 1246 HG2 LYS 602 HG2 LYS 602 76.264 2.769 1.061 1247 HG3 LYS 602 HG1 LYS 602 75.360 2.207 -0.342 1248 HD2 LYS 602 HD2 LYS 602 75.178 4.433 -1.229 1249 HD3 LYS 602 HD1 LYS 602 75.821 5.137 0.247 1250 HE2 LYS 602 HE2 LYS 602 77.897 3.485 -0.389 1251 HE3 LYS 602 HE1 LYS 602 77.262 3.807 -2.003 1252 HZ1 LYS 602 HZ1 LYS 602 78.138 5.819 -1.948 1253 HZ2 LYS 602 HZ2 LYS 602 78.852 5.459 -0.449 1254 HZ3 LYS 602 HZ3 LYS 602 77.322 6.197 -0.510 1255 H LEU 603 HN LEU 603 73.001 2.014 4.040 1256 HA LEU 603 HA LEU 603 75.623 0.986 4.921 1257 HB2 LEU 603 HB2 LEU 603 73.347 1.667 6.759 1258 HB3 LEU 603 HB1 LEU 603 75.084 1.796 7.048 1259 HG LEU 603 HG LEU 603 73.415 3.497 5.198 1260 HD11 LEU 603 HD11 LEU 603 73.512 3.890 7.772 1261 HD12 LEU 603 HD12 LEU 603 73.746 5.260 6.689 1262 HD13 LEU 603 HD13 LEU 603 75.142 4.493 7.448 1263 HD21 LEU 603 HD21 LEU 603 76.396 3.205 5.508 1264 HD22 LEU 603 HD22 LEU 603 75.702 4.744 5.007 1265 HD23 LEU 603 HD23 LEU 603 75.444 3.305 4.029 1266 H PHE 604 HN PHE 604 72.218 0.092 5.639 1267 HA PHE 604 HA PHE 604 73.181 -2.538 6.589 1268 HB2 PHE 604 HB2 PHE 604 70.602 -1.010 6.717 1269 HB3 PHE 604 HB1 PHE 604 70.526 -2.764 6.869 1270 HD1 PHE 604 HD1 PHE 604 73.071 -0.243 8.056 1271 HD2 PHE 604 HD2 PHE 604 70.245 -3.306 9.132 1272 HE1 PHE 604 HE1 PHE 604 73.797 -0.089 10.416 1273 HE2 PHE 604 HE2 PHE 604 70.976 -3.141 11.495 1274 HZ PHE 604 HZ PHE 604 72.751 -1.534 12.136 1275 H CYS 605 HN CYS 605 73.397 -1.872 3.700 1276 HA CYS 605 HA CYS 605 72.096 -4.336 2.712 1277 HB2 CYS 605 HB2 CYS 605 71.728 -1.860 1.033 1278 HB3 CYS 605 HB1 CYS 605 70.819 -3.371 1.007 1279 HG CYS 605 HG CYS 605 69.397 -2.587 2.922 Start of MODEL 4 1 H MET 1 HT1 MET 1 90.778 -25.561 19.714 2 HA MET 1 HA MET 1 89.271 -27.238 17.845 3 HB2 MET 1 HB2 MET 1 89.979 -24.850 17.406 4 HB3 MET 1 HB1 MET 1 91.652 -25.399 17.459 5 HG2 MET 1 HG2 MET 1 90.897 -27.150 15.680 6 HG3 MET 1 HG1 MET 1 89.502 -26.094 15.463 7 HE1 MET 1 HE1 MET 1 90.029 -25.558 12.947 8 HE2 MET 1 HE2 MET 1 91.235 -26.822 13.169 9 HE3 MET 1 HE3 MET 1 91.683 -25.319 12.367 10 H ALA 2 HN ALA 2 92.525 -26.867 17.033 11 HA ALA 2 HA ALA 2 93.404 -29.411 18.277 12 HB1 ALA 2 HB1 ALA 2 93.481 -29.013 15.278 13 HB2 ALA 2 HB2 ALA 2 92.213 -29.935 16.088 14 HB3 ALA 2 HB3 ALA 2 93.890 -30.474 16.176 15 H LEU 3 HN LEU 3 94.233 -27.077 15.730 16 HA LEU 3 HA LEU 3 96.996 -27.149 15.771 17 HB2 LEU 3 HB2 LEU 3 95.116 -24.789 15.614 18 HB3 LEU 3 HB1 LEU 3 96.851 -24.630 15.343 19 HG LEU 3 HG LEU 3 95.081 -26.563 13.822 20 HD11 LEU 3 HD11 LEU 3 95.431 -24.847 11.944 21 HD12 LEU 3 HD12 LEU 3 95.926 -23.725 13.212 22 HD13 LEU 3 HD13 LEU 3 94.297 -24.400 13.219 23 HD21 LEU 3 HD21 LEU 3 97.984 -25.788 13.714 24 HD22 LEU 3 HD22 LEU 3 97.173 -26.183 12.200 25 HD23 LEU 3 HD23 LEU 3 97.234 -27.369 13.498 26 H ASP 4 HN ASP 4 95.579 -24.387 17.323 27 HA ASP 4 HA ASP 4 96.262 -23.207 19.231 28 HB2 ASP 4 HB2 ASP 4 94.825 -24.935 20.214 29 HB3 ASP 4 HB1 ASP 4 96.193 -26.046 20.248 30 H GLY 5 HN GLY 5 98.359 -24.395 17.440 31 HA2 GLY 5 HA2 GLY 5 100.590 -25.282 19.016 32 HA3 GLY 5 HA1 GLY 5 100.688 -24.585 17.396 33 H ILE 6 HN ILE 6 99.025 -22.347 18.639 34 HA ILE 6 HA ILE 6 101.345 -20.772 19.683 35 HB ILE 6 HB ILE 6 99.412 -18.926 18.921 36 HG12 ILE 6 HG12 ILE 6 98.125 -20.940 17.981 37 HG13 ILE 6 HG11 ILE 6 98.381 -19.575 16.901 38 HG21 ILE 6 HG21 ILE 6 101.695 -20.106 17.356 39 HG22 ILE 6 HG22 ILE 6 101.692 -18.636 18.331 40 HG23 ILE 6 HG23 ILE 6 100.786 -18.693 16.820 41 HD11 ILE 6 HD11 ILE 6 98.953 -22.194 16.287 42 HD12 ILE 6 HD12 ILE 6 100.537 -21.601 16.780 43 HD13 ILE 6 HD13 ILE 6 99.661 -20.799 15.479 44 H ARG 7 HN ARG 7 98.100 -19.537 19.956 45 HA ARG 7 HA ARG 7 97.791 -20.486 22.721 46 HB2 ARG 7 HB2 ARG 7 97.532 -18.064 23.492 47 HB3 ARG 7 HB1 ARG 7 99.168 -18.627 23.186 48 HG2 ARG 7 HG2 ARG 7 97.825 -17.427 20.816 49 HG3 ARG 7 HG1 ARG 7 98.131 -16.309 22.141 50 HD2 ARG 7 HD2 ARG 7 100.490 -16.809 22.117 51 HD3 ARG 7 HD1 ARG 7 100.247 -18.124 20.972 52 HE ARG 7 HE ARG 7 99.241 -15.804 19.734 53 HH11 ARG 7 HH11 ARG 7 100.531 -14.637 18.292 54 HH12 ARG 7 HH12 ARG 7 102.255 -14.788 18.375 55 HH21 ARG 7 HH21 ARG 7 102.196 -17.032 21.018 56 HH22 ARG 7 HH22 ARG 7 103.197 -16.143 19.919 57 H MET 8 HN MET 8 96.330 -17.471 21.778 58 HA MET 8 HA MET 8 93.918 -18.848 20.763 59 HB2 MET 8 HB2 MET 8 92.902 -17.026 22.719 60 HB3 MET 8 HB1 MET 8 92.786 -18.772 22.711 61 HG2 MET 8 HG2 MET 8 94.850 -19.024 23.905 62 HG3 MET 8 HG1 MET 8 95.239 -17.321 23.770 63 HE1 MET 8 HE1 MET 8 95.452 -18.891 26.173 64 HE2 MET 8 HE2 MET 8 93.986 -19.849 26.359 65 HE3 MET 8 HE3 MET 8 94.327 -18.545 27.493 66 HA PRO 9 HA PRO 9 93.266 -13.972 20.071 67 HB2 PRO 9 HB2 PRO 9 96.218 -13.422 20.375 68 HB3 PRO 9 HB1 PRO 9 94.849 -12.301 20.561 69 HG2 PRO 9 HG2 PRO 9 95.998 -13.310 22.692 70 HG3 PRO 9 HG1 PRO 9 94.229 -13.215 22.591 71 HD2 PRO 9 HD2 PRO 9 95.978 -15.625 22.358 72 HD3 PRO 9 HD1 PRO 9 94.349 -15.464 23.006 73 H ASP 10 HN ASP 10 96.086 -15.856 19.389 74 HA ASP 10 HA ASP 10 95.806 -15.348 16.439 75 HB2 ASP 10 HB2 ASP 10 97.982 -14.631 17.662 76 HB3 ASP 10 HB1 ASP 10 98.318 -16.356 17.787 77 H GLY 11 HN GLY 11 95.941 -17.617 19.030 78 HA2 GLY 11 HA2 GLY 11 96.139 -19.954 17.238 79 HA3 GLY 11 HA1 GLY 11 96.040 -19.995 18.992 80 H CYS 12 HN CYS 12 93.702 -17.878 17.915 81 HA CYS 12 HA CYS 12 91.671 -19.791 17.119 82 HB2 CYS 12 HB2 CYS 12 91.745 -20.465 19.424 83 HB3 CYS 12 HB1 CYS 12 91.721 -18.788 19.968 84 HG CYS 12 HG CYS 12 89.262 -19.558 18.306 85 H TYR 13 HN TYR 13 92.539 -16.542 18.167 86 HA TYR 13 HA TYR 13 91.537 -14.486 17.779 87 HB2 TYR 13 HB2 TYR 13 90.474 -16.069 15.420 88 HB3 TYR 13 HB1 TYR 13 90.249 -14.332 15.616 89 HD1 TYR 13 HD1 TYR 13 92.661 -17.012 14.917 90 HD2 TYR 13 HD2 TYR 13 92.152 -12.787 15.503 91 HE1 TYR 13 HE1 TYR 13 94.916 -16.608 13.965 92 HE2 TYR 13 HE2 TYR 13 94.406 -12.383 14.551 93 HH TYR 13 HH TYR 13 95.950 -13.905 12.775 94 H ALA 14 HN ALA 14 88.698 -14.945 16.279 95 HA ALA 14 HA ALA 14 87.087 -16.121 18.350 96 HB1 ALA 14 HB1 ALA 14 86.264 -14.240 19.492 97 HB2 ALA 14 HB2 ALA 14 86.816 -13.124 18.244 98 HB3 ALA 14 HB3 ALA 14 87.982 -13.875 19.332 99 H ASP 15 HN ASP 15 87.235 -13.777 15.707 100 HA ASP 15 HA ASP 15 84.987 -15.146 14.414 101 HB2 ASP 15 HB2 ASP 15 83.969 -13.458 16.006 102 HB3 ASP 15 HB1 ASP 15 84.747 -12.204 15.040 103 H GLY 16 HN GLY 16 87.901 -13.849 14.167 104 HA2 GLY 16 HA2 GLY 16 89.161 -13.391 12.206 105 HA3 GLY 16 HA1 GLY 16 87.658 -13.405 11.278 106 H THR 17 HN THR 17 88.441 -11.523 14.169 107 HA THR 17 HA THR 17 87.410 -9.112 12.895 108 HB THR 17 HB THR 17 88.209 -8.070 15.105 109 HG1 THR 17 HG1 THR 17 88.448 -10.761 15.896 110 HG21 THR 17 HG21 THR 17 86.336 -8.968 16.327 111 HG22 THR 17 HG22 THR 17 86.345 -10.440 15.356 112 HG23 THR 17 HG23 THR 17 85.877 -8.904 14.626 113 H TRP 18 HN TRP 18 88.582 -7.637 11.862 114 HA TRP 18 HA TRP 18 91.423 -7.216 12.400 115 HB2 TRP 18 HB2 TRP 18 91.582 -7.343 9.677 116 HB3 TRP 18 HB1 TRP 18 92.016 -8.672 10.732 117 HD1 TRP 18 HD1 TRP 18 88.640 -7.414 9.278 118 HE1 TRP 18 HE1 TRP 18 87.387 -9.461 8.322 119 HE3 TRP 18 HE3 TRP 18 92.031 -11.086 10.318 120 HZ2 TRP 18 HZ2 TRP 18 87.776 -12.275 8.041 121 HZ3 TRP 18 HZ3 TRP 18 91.565 -13.440 9.694 122 HH2 TRP 18 HH2 TRP 18 89.444 -14.038 8.558 123 H GLU 19 HN GLU 19 91.953 -5.067 12.000 124 HA GLU 19 HA GLU 19 89.727 -3.340 11.108 125 HB2 GLU 19 HB2 GLU 19 91.825 -1.616 11.717 126 HB3 GLU 19 HB1 GLU 19 90.553 -2.096 12.833 127 HG2 GLU 19 HG2 GLU 19 92.799 -2.452 13.792 128 HG3 GLU 19 HG1 GLU 19 91.902 -3.959 13.617 129 H LEU 20 HN LEU 20 89.611 -2.338 9.243 130 HA LEU 20 HA LEU 20 91.674 -2.890 7.230 131 HB2 LEU 20 HB2 LEU 20 88.862 -2.408 7.214 132 HB3 LEU 20 HB1 LEU 20 89.566 -1.043 6.364 133 HG LEU 20 HG LEU 20 89.106 -2.671 4.708 134 HD11 LEU 20 HD11 LEU 20 91.111 -2.769 3.652 135 HD12 LEU 20 HD12 LEU 20 91.957 -3.455 5.033 136 HD13 LEU 20 HD13 LEU 20 91.621 -1.722 4.974 137 HD21 LEU 20 HD21 LEU 20 88.676 -4.641 5.939 138 HD22 LEU 20 HD22 LEU 20 90.272 -4.633 6.683 139 HD23 LEU 20 HD23 LEU 20 90.098 -5.039 4.979 140 H SER 21 HN SER 21 93.177 -1.377 6.581 141 HA SER 21 HA SER 21 93.421 1.047 8.198 142 HB2 SER 21 HB2 SER 21 95.293 -0.486 7.091 143 HB3 SER 21 HB1 SER 21 95.053 0.604 5.730 144 HG SER 21 HG SER 21 95.162 2.219 7.675 145 H VAL 22 HN VAL 22 93.152 3.163 7.470 146 HA VAL 22 HA VAL 22 92.082 3.521 4.722 147 HB VAL 22 HB VAL 22 90.674 4.268 7.284 148 HG11 VAL 22 HG11 VAL 22 89.089 5.542 5.785 149 HG12 VAL 22 HG12 VAL 22 90.307 5.449 4.511 150 HG13 VAL 22 HG13 VAL 22 90.651 6.325 6.007 151 HG21 VAL 22 HG21 VAL 22 89.813 2.957 4.689 152 HG22 VAL 22 HG22 VAL 22 88.786 3.204 6.106 153 HG23 VAL 22 HG23 VAL 22 90.166 2.106 6.198 154 H HIS 23 HN HIS 23 93.580 4.789 3.874 155 HA HIS 23 HA HIS 23 94.914 6.902 5.413 156 HB2 HIS 23 HB2 HIS 23 95.047 5.823 2.613 157 HB3 HIS 23 HB1 HIS 23 95.806 7.370 2.984 158 HD1 HIS 23 HD1 HIS 23 98.124 6.100 2.479 159 HD2 HIS 23 HD2 HIS 23 96.061 4.789 5.856 160 HE1 HIS 23 HE1 HIS 23 99.775 4.754 3.849 161 H VAL 24 HN VAL 24 93.493 8.598 5.892 162 HA VAL 24 HA VAL 24 91.456 9.379 3.963 163 HB VAL 24 HB VAL 24 92.390 11.197 6.186 164 HG11 VAL 24 HG11 VAL 24 89.920 11.555 6.364 165 HG12 VAL 24 HG12 VAL 24 89.694 10.438 5.026 166 HG13 VAL 24 HG13 VAL 24 90.549 11.952 4.764 167 HG21 VAL 24 HG21 VAL 24 90.844 8.605 6.483 168 HG22 VAL 24 HG22 VAL 24 90.894 9.862 7.719 169 HG23 VAL 24 HG23 VAL 24 92.374 9.023 7.254 170 H THR 25 HN THR 25 92.131 10.252 2.059 171 HA THR 25 HA THR 25 94.618 11.797 1.928 172 HB THR 25 HB THR 25 94.494 11.483 -0.343 173 HG1 THR 25 HG1 THR 25 92.883 12.933 -0.728 174 HG21 THR 25 HG21 THR 25 92.179 9.656 0.330 175 HG22 THR 25 HG22 THR 25 93.852 9.270 0.729 176 HG23 THR 25 HG23 THR 25 93.367 9.457 -0.956 177 H ASP 26 HN ASP 26 91.232 12.451 2.295 178 HA ASP 26 HA ASP 26 91.422 15.249 1.463 179 HB2 ASP 26 HB2 ASP 26 89.288 13.906 1.380 180 HB3 ASP 26 HB1 ASP 26 89.276 13.916 3.144 181 H LEU 27 HN LEU 27 92.424 13.482 4.120 182 HA LEU 27 HA LEU 27 92.614 15.949 5.813 183 HB2 LEU 27 HB2 LEU 27 91.369 13.362 6.400 184 HB3 LEU 27 HB1 LEU 27 92.592 13.748 7.588 185 HG LEU 27 HG LEU 27 90.392 15.672 6.773 186 HD11 LEU 27 HD11 LEU 27 90.515 13.756 9.122 187 HD12 LEU 27 HD12 LEU 27 89.421 13.629 7.744 188 HD13 LEU 27 HD13 LEU 27 89.270 14.981 8.868 189 HD21 LEU 27 HD21 LEU 27 92.093 16.926 7.829 190 HD22 LEU 27 HD22 LEU 27 92.516 15.615 8.926 191 HD23 LEU 27 HD23 LEU 27 91.027 16.524 9.172 192 H ASN 28 HN ASN 28 94.058 13.124 4.470 193 HA ASN 28 HA ASN 28 96.320 12.566 4.244 194 HB2 ASN 28 HB2 ASN 28 96.655 15.131 4.543 195 HB3 ASN 28 HB1 ASN 28 97.111 14.733 6.193 196 HD21 ASN 28 HD21 ASN 28 98.105 12.039 5.090 197 HD22 ASN 28 HD22 ASN 28 99.639 12.402 4.471 198 H ARG 29 HN ARG 29 94.404 12.037 6.727 199 HA ARG 29 HA ARG 29 96.479 11.128 8.635 200 HB2 ARG 29 HB2 ARG 29 93.466 11.108 8.834 201 HB3 ARG 29 HB1 ARG 29 94.589 10.655 10.117 202 HG2 ARG 29 HG2 ARG 29 95.508 12.892 10.182 203 HG3 ARG 29 HG1 ARG 29 94.545 13.370 8.791 204 HD2 ARG 29 HD2 ARG 29 93.292 14.188 10.607 205 HD3 ARG 29 HD1 ARG 29 92.502 12.659 10.229 206 HE ARG 29 HE ARG 29 94.184 13.213 12.603 207 HH11 ARG 29 HH11 ARG 29 94.061 11.647 14.215 208 HH12 ARG 29 HH12 ARG 29 93.273 10.140 13.890 209 HH21 ARG 29 HH21 ARG 29 92.470 10.949 10.620 210 HH22 ARG 29 HH22 ARG 29 92.376 9.748 11.861 211 H ASP 30 HN ASP 30 95.610 8.989 9.704 212 HA ASP 30 HA ASP 30 94.781 7.022 7.650 213 HB2 ASP 30 HB2 ASP 30 97.215 6.835 9.437 214 HB3 ASP 30 HB1 ASP 30 96.476 5.426 8.674 215 H VAL 31 HN VAL 31 93.006 6.132 8.414 216 HA VAL 31 HA VAL 31 92.733 5.766 11.385 217 HB VAL 31 HB VAL 31 90.532 6.027 9.327 218 HG11 VAL 31 HG11 VAL 31 90.622 5.948 12.351 219 HG12 VAL 31 HG12 VAL 31 89.796 4.827 11.271 220 HG13 VAL 31 HG13 VAL 31 89.206 6.480 11.445 221 HG21 VAL 31 HG21 VAL 31 91.856 8.127 9.530 222 HG22 VAL 31 HG22 VAL 31 91.621 8.093 11.277 223 HG23 VAL 31 HG23 VAL 31 90.239 8.316 10.206 224 H THR 32 HN THR 32 91.584 3.879 12.059 225 HA THR 32 HA THR 32 91.511 1.640 10.076 226 HB THR 32 HB THR 32 92.245 0.571 12.635 227 HG1 THR 32 HG1 THR 32 94.259 1.738 12.864 228 HG21 THR 32 HG21 THR 32 94.110 -0.329 11.503 229 HG22 THR 32 HG22 THR 32 94.192 1.028 10.379 230 HG23 THR 32 HG23 THR 32 92.895 -0.159 10.236 231 H LEU 33 HN LEU 33 89.648 0.535 10.199 232 HA LEU 33 HA LEU 33 87.794 1.004 12.506 233 HB2 LEU 33 HB2 LEU 33 87.435 0.726 9.535 234 HB3 LEU 33 HB1 LEU 33 86.127 0.221 10.582 235 HG LEU 33 HG LEU 33 86.062 2.632 9.701 236 HD11 LEU 33 HD11 LEU 33 84.962 3.407 11.620 237 HD12 LEU 33 HD12 LEU 33 86.026 2.523 12.713 238 HD13 LEU 33 HD13 LEU 33 84.826 1.656 11.754 239 HD21 LEU 33 HD21 LEU 33 87.451 4.268 10.710 240 HD22 LEU 33 HD22 LEU 33 88.548 2.973 10.236 241 HD23 LEU 33 HD23 LEU 33 88.050 3.145 11.916 242 H ARG 34 HN ARG 34 87.652 -0.846 13.741 243 HA ARG 34 HA ARG 34 88.590 -3.365 12.908 244 HB2 ARG 34 HB2 ARG 34 88.248 -2.715 15.297 245 HB3 ARG 34 HB1 ARG 34 86.513 -2.889 15.033 246 HG2 ARG 34 HG2 ARG 34 88.453 -5.113 14.314 247 HG3 ARG 34 HG1 ARG 34 87.816 -4.951 15.913 248 HD2 ARG 34 HD2 ARG 34 85.538 -4.774 14.301 249 HD3 ARG 34 HD1 ARG 34 86.519 -6.029 13.576 250 HE ARG 34 HE ARG 34 86.157 -7.361 15.493 251 HH11 ARG 34 HH11 ARG 34 85.162 -7.766 17.479 252 HH12 ARG 34 HH12 ARG 34 84.432 -6.458 18.348 253 HH21 ARG 34 HH21 ARG 34 85.249 -4.072 15.967 254 HH22 ARG 34 HH22 ARG 34 84.483 -4.365 17.493 255 H VAL 35 HN VAL 35 87.584 -4.987 11.946 256 HA VAL 35 HA VAL 35 84.706 -4.927 11.385 257 HB VAL 35 HB VAL 35 85.203 -4.990 8.889 258 HG11 VAL 35 HG11 VAL 35 84.948 -2.661 8.649 259 HG12 VAL 35 HG12 VAL 35 85.946 -2.318 10.060 260 HG13 VAL 35 HG13 VAL 35 84.318 -2.965 10.265 261 HG21 VAL 35 HG21 VAL 35 87.590 -5.365 8.982 262 HG22 VAL 35 HG22 VAL 35 87.826 -3.847 9.841 263 HG23 VAL 35 HG23 VAL 35 87.270 -3.836 8.171 264 H THR 36 HN THR 36 84.413 -6.683 9.484 265 HA THR 36 HA THR 36 86.271 -8.963 9.924 266 HB THR 36 HB THR 36 84.209 -10.444 10.103 267 HG1 THR 36 HG1 THR 36 82.533 -8.900 11.218 268 HG21 THR 36 HG21 THR 36 85.500 -10.159 12.058 269 HG22 THR 36 HG22 THR 36 83.842 -9.815 12.547 270 HG23 THR 36 HG23 THR 36 84.970 -8.491 12.262 271 H GLY 37 HN GLY 37 85.548 -10.737 8.259 272 HA2 GLY 37 HA2 GLY 37 85.316 -9.360 5.699 273 HA3 GLY 37 HA1 GLY 37 85.557 -11.088 5.913 274 H GLU 38 HN GLU 38 83.069 -8.841 7.060 275 HA GLU 38 HA GLU 38 81.024 -10.123 5.389 276 HB2 GLU 38 HB2 GLU 38 79.582 -10.569 7.420 277 HB3 GLU 38 HB1 GLU 38 80.976 -11.635 7.255 278 HG2 GLU 38 HG2 GLU 38 82.185 -10.521 8.946 279 HG3 GLU 38 HG1 GLU 38 81.140 -9.102 8.883 280 H VAL 39 HN VAL 39 82.351 -7.389 6.730 281 HA VAL 39 HA VAL 39 79.798 -6.003 7.224 282 HB VAL 39 HB VAL 39 81.421 -5.127 8.630 283 HG11 VAL 39 HG11 VAL 39 83.442 -6.070 8.107 284 HG12 VAL 39 HG12 VAL 39 83.734 -4.459 7.439 285 HG13 VAL 39 HG13 VAL 39 83.265 -5.780 6.376 286 HG21 VAL 39 HG21 VAL 39 81.832 -2.883 7.971 287 HG22 VAL 39 HG22 VAL 39 80.366 -3.343 7.104 288 HG23 VAL 39 HG23 VAL 39 81.918 -3.317 6.264 289 H HIS 40 HN HIS 40 79.059 -4.286 5.883 290 HA HIS 40 HA HIS 40 79.752 -4.681 3.033 291 HB2 HIS 40 HB2 HIS 40 77.766 -2.581 3.780 292 HB3 HIS 40 HB1 HIS 40 77.673 -3.841 2.549 293 HD1 HIS 40 HD1 HIS 40 76.195 -5.771 3.089 294 HD2 HIS 40 HD2 HIS 40 77.407 -3.753 6.530 295 HE1 HIS 40 HE1 HIS 40 74.986 -6.867 5.025 296 H ILE 41 HN ILE 41 80.707 -3.103 1.740 297 HA ILE 41 HA ILE 41 82.657 -1.385 2.753 298 HB ILE 41 HB ILE 41 80.990 -0.702 0.317 299 HG12 ILE 41 HG12 ILE 41 83.340 -2.609 0.513 300 HG13 ILE 41 HG11 ILE 41 81.660 -3.078 0.280 301 HG21 ILE 41 HG21 ILE 41 82.754 0.914 1.220 302 HG22 ILE 41 HG22 ILE 41 82.953 0.405 -0.455 303 HG23 ILE 41 HG23 ILE 41 83.950 -0.316 0.806 304 HD11 ILE 41 HD11 ILE 41 82.411 -1.068 -1.681 305 HD12 ILE 41 HD12 ILE 41 81.778 -2.692 -1.926 306 HD13 ILE 41 HD13 ILE 41 83.511 -2.446 -1.733 307 H GLY 42 HN GLY 42 79.454 -0.399 1.631 308 HA2 GLY 42 HA2 GLY 42 79.550 2.258 2.459 309 HA3 GLY 42 HA1 GLY 42 78.060 1.325 2.326 310 H GLY 43 HN GLY 43 79.534 -0.573 4.275 311 HA2 GLY 43 HA2 GLY 43 78.274 0.499 6.679 312 HA3 GLY 43 HA1 GLY 43 79.169 -1.017 6.556 313 H VAL 44 HN VAL 44 81.463 0.449 5.288 314 HA VAL 44 HA VAL 44 82.845 1.120 7.785 315 HB VAL 44 HB VAL 44 83.592 0.859 4.870 316 HG11 VAL 44 HG11 VAL 44 84.854 2.816 5.429 317 HG12 VAL 44 HG12 VAL 44 85.973 1.466 5.619 318 HG13 VAL 44 HG13 VAL 44 85.230 2.202 7.039 319 HG21 VAL 44 HG21 VAL 44 84.695 -0.348 7.426 320 HG22 VAL 44 HG22 VAL 44 85.178 -0.781 5.786 321 HG23 VAL 44 HG23 VAL 44 83.541 -1.127 6.344 322 H MET 45 HN MET 45 82.176 3.002 4.739 323 HA MET 45 HA MET 45 83.143 5.446 5.760 324 HB2 MET 45 HB2 MET 45 81.266 6.516 4.245 325 HB3 MET 45 HB1 MET 45 82.621 5.681 3.509 326 HG2 MET 45 HG2 MET 45 80.930 4.665 2.343 327 HG3 MET 45 HG1 MET 45 80.919 3.588 3.725 328 HE1 MET 45 HE1 MET 45 77.503 5.223 1.945 329 HE2 MET 45 HE2 MET 45 77.686 3.576 2.516 330 HE3 MET 45 HE3 MET 45 78.936 4.283 1.503 331 H LEU 46 HN LEU 46 80.342 3.663 6.651 332 HA LEU 46 HA LEU 46 78.893 5.864 7.894 333 HB2 LEU 46 HB2 LEU 46 78.056 3.460 7.224 334 HB3 LEU 46 HB1 LEU 46 78.697 2.984 8.795 335 HG LEU 46 HG LEU 46 76.669 5.190 8.325 336 HD11 LEU 46 HD11 LEU 46 75.481 3.183 7.997 337 HD12 LEU 46 HD12 LEU 46 75.236 3.514 9.708 338 HD13 LEU 46 HD13 LEU 46 76.424 2.312 9.204 339 HD21 LEU 46 HD21 LEU 46 76.484 4.858 10.913 340 HD22 LEU 46 HD22 LEU 46 77.812 5.808 10.261 341 HD23 LEU 46 HD23 LEU 46 78.092 4.143 10.767 342 H LYS 47 HN LYS 47 80.802 3.163 9.270 343 HA LYS 47 HA LYS 47 80.937 4.213 11.919 344 HB2 LYS 47 HB2 LYS 47 83.058 2.522 10.574 345 HB3 LYS 47 HB1 LYS 47 82.694 2.594 12.295 346 HG2 LYS 47 HG2 LYS 47 80.649 1.412 12.022 347 HG3 LYS 47 HG1 LYS 47 80.637 1.677 10.283 348 HD2 LYS 47 HD2 LYS 47 82.771 0.288 10.160 349 HD3 LYS 47 HD1 LYS 47 82.493 -0.133 11.848 350 HE2 LYS 47 HE2 LYS 47 80.369 -0.560 9.741 351 HE3 LYS 47 HE1 LYS 47 81.611 -1.774 10.062 352 HZ1 LYS 47 HZ1 LYS 47 80.861 -1.350 12.518 353 HZ2 LYS 47 HZ2 LYS 47 80.000 -2.419 11.518 354 HZ3 LYS 47 HZ3 LYS 47 79.421 -0.843 11.779 355 H LEU 48 HN LEU 48 83.378 4.338 9.312 356 HA LEU 48 HA LEU 48 85.412 5.695 10.558 357 HB2 LEU 48 HB2 LEU 48 85.519 4.931 8.240 358 HB3 LEU 48 HB1 LEU 48 84.344 6.148 7.760 359 HG LEU 48 HG LEU 48 85.979 7.926 8.456 360 HD11 LEU 48 HD11 LEU 48 87.364 6.725 10.047 361 HD12 LEU 48 HD12 LEU 48 88.371 7.164 8.671 362 HD13 LEU 48 HD13 LEU 48 87.774 5.516 8.829 363 HD21 LEU 48 HD21 LEU 48 85.838 7.256 6.130 364 HD22 LEU 48 HD22 LEU 48 86.866 5.857 6.437 365 HD23 LEU 48 HD23 LEU 48 87.540 7.483 6.544 366 H VAL 49 HN VAL 49 82.679 7.369 8.915 367 HA VAL 49 HA VAL 49 83.480 9.978 9.814 368 HB VAL 49 HB VAL 49 80.765 8.935 8.974 369 HG11 VAL 49 HG11 VAL 49 80.361 10.931 10.218 370 HG12 VAL 49 HG12 VAL 49 80.369 11.425 8.525 371 HG13 VAL 49 HG13 VAL 49 81.781 11.726 9.538 372 HG21 VAL 49 HG21 VAL 49 81.303 9.801 6.808 373 HG22 VAL 49 HG22 VAL 49 82.724 8.890 7.324 374 HG23 VAL 49 HG23 VAL 49 82.719 10.652 7.426 375 H GLU 50 HN GLU 50 81.129 7.631 11.135 376 HA GLU 50 HA GLU 50 79.972 9.092 13.186 377 HB2 GLU 50 HB2 GLU 50 80.936 6.231 13.130 378 HB3 GLU 50 HB1 GLU 50 80.116 6.886 14.541 379 HG2 GLU 50 HG2 GLU 50 78.978 7.055 11.751 380 HG3 GLU 50 HG1 GLU 50 78.616 5.725 12.850 381 H LYS 51 HN LYS 51 83.225 7.708 13.154 382 HA LYS 51 HA LYS 51 83.824 8.339 15.883 383 HB2 LYS 51 HB2 LYS 51 85.676 7.979 13.527 384 HB3 LYS 51 HB1 LYS 51 86.153 7.963 15.227 385 HG2 LYS 51 HG2 LYS 51 84.451 6.109 15.572 386 HG3 LYS 51 HG1 LYS 51 84.313 6.021 13.818 387 HD2 LYS 51 HD2 LYS 51 86.746 5.477 15.530 388 HD3 LYS 51 HD1 LYS 51 85.912 4.377 14.443 389 HE2 LYS 51 HE2 LYS 51 87.841 5.036 13.238 390 HE3 LYS 51 HE1 LYS 51 86.549 6.025 12.566 391 HZ1 LYS 51 HZ1 LYS 51 87.776 7.216 14.858 392 HZ2 LYS 51 HZ2 LYS 51 87.501 7.871 13.315 393 HZ3 LYS 51 HZ3 LYS 51 88.890 6.938 13.610 394 H LEU 52 HN LEU 52 84.611 10.087 12.832 395 HA LEU 52 HA LEU 52 85.885 12.249 14.190 396 HB2 LEU 52 HB2 LEU 52 85.482 11.473 11.535 397 HB3 LEU 52 HB1 LEU 52 84.554 12.960 11.653 398 HG LEU 52 HG LEU 52 86.683 13.929 12.809 399 HD11 LEU 52 HD11 LEU 52 87.878 11.824 13.116 400 HD12 LEU 52 HD12 LEU 52 88.781 12.841 11.994 401 HD13 LEU 52 HD13 LEU 52 87.808 11.502 11.385 402 HD21 LEU 52 HD21 LEU 52 87.740 14.315 10.518 403 HD22 LEU 52 HD22 LEU 52 86.042 14.754 10.669 404 HD23 LEU 52 HD23 LEU 52 86.494 13.246 9.873 405 H ASP 53 HN ASP 53 82.751 12.342 12.526 406 HA ASP 53 HA ASP 53 80.686 13.156 13.223 407 HB2 ASP 53 HB2 ASP 53 81.707 12.434 15.524 408 HB3 ASP 53 HB1 ASP 53 81.849 14.159 15.785 409 H VAL 54 HN VAL 54 80.910 14.701 11.630 410 HA VAL 54 HA VAL 54 80.857 17.416 12.567 411 HB VAL 54 HB VAL 54 83.213 17.251 12.687 412 HG11 VAL 54 HG11 VAL 54 83.683 15.237 11.578 413 HG12 VAL 54 HG12 VAL 54 84.487 16.470 10.598 414 HG13 VAL 54 HG13 VAL 54 82.949 15.790 10.068 415 HG21 VAL 54 HG21 VAL 54 83.961 18.853 11.024 416 HG22 VAL 54 HG22 VAL 54 82.302 19.260 11.460 417 HG23 VAL 54 HG23 VAL 54 82.636 18.423 9.947 418 H LYS 55 HN LYS 55 79.818 18.706 11.106 419 HA LYS 55 HA LYS 55 78.468 17.430 8.927 420 HB2 LYS 55 HB2 LYS 55 78.757 20.335 9.702 421 HB3 LYS 55 HB1 LYS 55 77.758 19.791 8.354 422 HG2 LYS 55 HG2 LYS 55 76.731 18.157 10.203 423 HG3 LYS 55 HG1 LYS 55 77.348 19.381 11.307 424 HD2 LYS 55 HD2 LYS 55 76.101 21.119 10.053 425 HD3 LYS 55 HD1 LYS 55 75.461 19.864 8.990 426 HE2 LYS 55 HE2 LYS 55 73.755 20.137 10.594 427 HE3 LYS 55 HE1 LYS 55 74.642 18.728 11.177 428 HZ1 LYS 55 HZ1 LYS 55 75.025 21.526 12.098 429 HZ2 LYS 55 HZ2 LYS 55 75.900 20.178 12.649 430 HZ3 LYS 55 HZ3 LYS 55 74.234 20.299 12.959 431 H LYS 56 HN LYS 56 81.365 17.212 8.619 432 HA LYS 56 HA LYS 56 82.021 19.100 6.473 433 HB2 LYS 56 HB2 LYS 56 83.772 18.094 7.961 434 HB3 LYS 56 HB1 LYS 56 83.483 16.544 7.184 435 HG2 LYS 56 HG2 LYS 56 83.950 17.752 4.965 436 HG3 LYS 56 HG1 LYS 56 84.549 19.090 5.942 437 HD2 LYS 56 HD2 LYS 56 85.596 16.247 5.951 438 HD3 LYS 56 HD1 LYS 56 86.414 17.659 5.292 439 HE2 LYS 56 HE2 LYS 56 85.836 17.021 8.185 440 HE3 LYS 56 HE1 LYS 56 87.391 17.361 7.429 441 HZ1 LYS 56 HZ1 LYS 56 85.236 19.219 8.159 442 HZ2 LYS 56 HZ2 LYS 56 86.270 19.613 6.870 443 HZ3 LYS 56 HZ3 LYS 56 86.906 19.352 8.424 444 H ASP 57 HN ASP 57 82.071 18.651 4.285 445 HA ASP 57 HA ASP 57 80.039 17.029 3.205 446 HB2 ASP 57 HB2 ASP 57 82.565 17.648 1.673 447 HB3 ASP 57 HB1 ASP 57 80.903 17.592 1.087 448 H TRP 58 HN TRP 58 80.078 14.877 3.949 449 HA TRP 58 HA TRP 58 82.500 13.253 3.310 450 HB2 TRP 58 HB2 TRP 58 80.154 12.764 5.151 451 HB3 TRP 58 HB1 TRP 58 81.387 11.568 4.801 452 HD1 TRP 58 HD1 TRP 58 80.559 13.889 7.342 453 HE1 TRP 58 HE1 TRP 58 82.604 14.695 8.677 454 HE3 TRP 58 HE3 TRP 58 84.344 12.397 4.212 455 HZ2 TRP 58 HZ2 TRP 58 85.437 14.733 8.445 456 HZ3 TRP 58 HZ3 TRP 58 86.697 12.846 4.809 457 HH2 TRP 58 HH2 TRP 58 87.253 14.005 6.927 458 H SER 59 HN SER 59 79.095 13.626 2.726 459 HA SER 59 HA SER 59 78.293 11.223 1.651 460 HB2 SER 59 HB2 SER 59 76.574 12.406 0.640 461 HB3 SER 59 HB1 SER 59 77.182 13.663 1.712 462 HG SER 59 HG SER 59 78.415 14.455 -0.007 463 H ASP 60 HN ASP 60 80.239 13.691 -0.005 464 HA ASP 60 HA ASP 60 80.422 12.169 -2.472 465 HB2 ASP 60 HB2 ASP 60 80.664 14.570 -2.568 466 HB3 ASP 60 HB1 ASP 60 81.969 14.536 -1.383 467 H HIS 61 HN HIS 61 82.010 12.013 0.565 468 HA HIS 61 HA HIS 61 84.483 10.838 -0.485 469 HB2 HIS 61 HB2 HIS 61 83.457 11.136 2.345 470 HB3 HIS 61 HB1 HIS 61 85.069 10.590 1.894 471 HD1 HIS 61 HD1 HIS 61 83.072 13.464 0.405 472 HD2 HIS 61 HD2 HIS 61 86.635 12.806 2.465 473 HE1 HIS 61 HE1 HIS 61 84.287 15.686 0.464 474 H ALA 62 HN ALA 62 84.823 8.785 -0.858 475 HA ALA 62 HA ALA 62 83.174 6.700 0.491 476 HB1 ALA 62 HB1 ALA 62 82.652 5.615 -1.566 477 HB2 ALA 62 HB2 ALA 62 83.797 6.608 -2.470 478 HB3 ALA 62 HB3 ALA 62 82.305 7.320 -1.857 479 H LEU 63 HN LEU 63 84.297 4.438 -0.190 480 HA LEU 63 HA LEU 63 87.193 4.869 0.345 481 HB2 LEU 63 HB2 LEU 63 85.541 2.324 0.374 482 HB3 LEU 63 HB1 LEU 63 87.236 2.432 0.813 483 HG LEU 63 HG LEU 63 85.797 2.406 2.788 484 HD11 LEU 63 HD11 LEU 63 86.895 4.099 3.971 485 HD12 LEU 63 HD12 LEU 63 86.872 5.208 2.603 486 HD13 LEU 63 HD13 LEU 63 87.960 3.819 2.595 487 HD21 LEU 63 HD21 LEU 63 84.716 5.132 2.139 488 HD22 LEU 63 HD22 LEU 63 84.065 3.887 3.202 489 HD23 LEU 63 HD23 LEU 63 83.919 3.710 1.457 490 H TRP 64 HN TRP 64 88.823 4.082 -0.964 491 HA TRP 64 HA TRP 64 88.050 2.911 -3.620 492 HB2 TRP 64 HB2 TRP 64 88.832 4.788 -4.646 493 HB3 TRP 64 HB1 TRP 64 89.143 5.507 -3.087 494 HD1 TRP 64 HD1 TRP 64 91.681 4.176 -2.059 495 HE1 TRP 64 HE1 TRP 64 93.913 4.315 -3.326 496 HE3 TRP 64 HE3 TRP 64 89.969 5.308 -6.734 497 HZ2 TRP 64 HZ2 TRP 64 94.859 4.879 -5.963 498 HZ3 TRP 64 HZ3 TRP 64 91.561 5.664 -8.600 499 HH2 TRP 64 HH2 TRP 64 94.002 5.452 -8.221 500 H TRP 65 HN TRP 65 89.649 1.442 -4.487 501 HA TRP 65 HA TRP 65 91.530 0.401 -2.395 502 HB2 TRP 65 HB2 TRP 65 89.604 -1.065 -3.286 503 HB3 TRP 65 HB1 TRP 65 90.519 -1.143 -4.788 504 HD1 TRP 65 HD1 TRP 65 93.229 -1.010 -2.525 505 HE1 TRP 65 HE1 TRP 65 94.027 -3.326 -1.756 506 HE3 TRP 65 HE3 TRP 65 89.182 -3.826 -3.865 507 HZ2 TRP 65 HZ2 TRP 65 93.085 -6.025 -1.717 508 HZ3 TRP 65 HZ3 TRP 65 89.166 -6.266 -3.449 509 HH2 TRP 65 HH2 TRP 65 91.108 -7.370 -2.379 510 H GLU 66 HN GLU 66 93.376 1.644 -2.978 511 HA GLU 66 HA GLU 66 94.237 2.216 -5.602 512 HB2 GLU 66 HB2 GLU 66 96.544 2.368 -4.582 513 HB3 GLU 66 HB1 GLU 66 95.301 3.323 -3.785 514 HG2 GLU 66 HG2 GLU 66 94.986 1.510 -2.128 515 HG3 GLU 66 HG1 GLU 66 96.266 0.597 -2.916 516 H LYS 67 HN LYS 67 94.423 -0.818 -3.863 517 HA LYS 67 HA LYS 67 96.540 -1.935 -5.497 518 HB2 LYS 67 HB2 LYS 67 94.261 -3.479 -4.231 519 HB3 LYS 67 HB1 LYS 67 95.847 -4.098 -4.672 520 HG2 LYS 67 HG2 LYS 67 95.287 -2.042 -2.519 521 HG3 LYS 67 HG1 LYS 67 95.702 -3.731 -2.249 522 HD2 LYS 67 HD2 LYS 67 97.827 -3.220 -3.637 523 HD3 LYS 67 HD1 LYS 67 97.428 -1.525 -3.358 524 HE2 LYS 67 HE2 LYS 67 98.784 -1.938 -1.511 525 HE3 LYS 67 HE1 LYS 67 97.203 -2.336 -0.831 526 HZ1 LYS 67 HZ1 LYS 67 98.437 -4.529 -2.218 527 HZ2 LYS 67 HZ2 LYS 67 97.743 -4.475 -0.668 528 HZ3 LYS 67 HZ3 LYS 67 99.354 -3.985 -0.899 529 H LYS 68 HN LYS 68 93.441 -0.901 -6.035 530 HA LYS 68 HA LYS 68 93.216 -2.368 -8.621 531 HB2 LYS 68 HB2 LYS 68 90.753 -1.585 -7.076 532 HB3 LYS 68 HB1 LYS 68 90.960 -2.870 -8.261 533 HG2 LYS 68 HG2 LYS 68 92.313 -2.971 -5.544 534 HG3 LYS 68 HG1 LYS 68 90.695 -3.583 -5.813 535 HD2 LYS 68 HD2 LYS 68 91.431 -5.218 -7.360 536 HD3 LYS 68 HD1 LYS 68 93.001 -4.438 -7.552 537 HE2 LYS 68 HE2 LYS 68 93.821 -5.300 -5.568 538 HE3 LYS 68 HE1 LYS 68 92.238 -5.359 -4.798 539 HZ1 LYS 68 HZ1 LYS 68 92.720 -7.082 -7.117 540 HZ2 LYS 68 HZ2 LYS 68 91.743 -7.346 -5.752 541 HZ3 LYS 68 HZ3 LYS 68 93.429 -7.520 -5.640 542 H ARG 69 HN ARG 69 93.246 0.583 -6.902 543 HA ARG 69 HA ARG 69 92.755 2.785 -7.541 544 HB2 ARG 69 HB2 ARG 69 93.384 1.472 -10.202 545 HB3 ARG 69 HB1 ARG 69 92.951 3.173 -10.100 546 HG2 ARG 69 HG2 ARG 69 95.281 3.285 -9.980 547 HG3 ARG 69 HG1 ARG 69 94.854 3.273 -8.274 548 HD2 ARG 69 HD2 ARG 69 96.526 1.638 -8.377 549 HD3 ARG 69 HD1 ARG 69 95.060 0.673 -8.510 550 HE ARG 69 HE ARG 69 95.991 1.461 -11.121 551 HH11 ARG 69 HH11 ARG 69 96.948 -0.147 -12.391 552 HH12 ARG 69 HH12 ARG 69 97.511 -1.603 -11.640 553 HH21 ARG 69 HH21 ARG 69 96.558 -0.640 -8.448 554 HH22 ARG 69 HH22 ARG 69 97.291 -1.882 -9.408 555 H THR 70 HN THR 70 90.587 1.265 -6.920 556 HA THR 70 HA THR 70 88.545 1.910 -9.032 557 HB THR 70 HB THR 70 88.982 -0.511 -8.255 558 HG1 THR 70 HG1 THR 70 86.832 -0.950 -8.502 559 HG21 THR 70 HG21 THR 70 87.216 0.202 -5.940 560 HG22 THR 70 HG22 THR 70 88.970 0.294 -5.781 561 HG23 THR 70 HG23 THR 70 88.201 -1.242 -6.180 562 H TRP 71 HN TRP 71 86.292 1.820 -7.612 563 HA TRP 71 HA TRP 71 86.606 3.673 -5.304 564 HB2 TRP 71 HB2 TRP 71 84.403 4.714 -6.155 565 HB3 TRP 71 HB1 TRP 71 85.893 5.204 -6.933 566 HD1 TRP 71 HD1 TRP 71 84.654 1.773 -7.929 567 HE1 TRP 71 HE1 TRP 71 83.666 1.879 -10.260 568 HE3 TRP 71 HE3 TRP 71 84.565 6.833 -8.631 569 HZ2 TRP 71 HZ2 TRP 71 82.938 3.822 -12.232 570 HZ3 TRP 71 HZ3 TRP 71 83.721 7.781 -10.759 571 HH2 TRP 71 HH2 TRP 71 82.907 6.282 -12.561 572 H LEU 72 HN LEU 72 86.210 2.108 -3.827 573 HA LEU 72 HA LEU 72 84.400 -0.029 -4.166 574 HB2 LEU 72 HB2 LEU 72 85.187 1.243 -1.553 575 HB3 LEU 72 HB1 LEU 72 84.651 -0.413 -1.795 576 HG LEU 72 HG LEU 72 87.067 0.624 -3.264 577 HD11 LEU 72 HD11 LEU 72 88.385 -0.471 -1.342 578 HD12 LEU 72 HD12 LEU 72 86.907 -0.276 -0.399 579 HD13 LEU 72 HD13 LEU 72 87.719 1.138 -1.069 580 HD21 LEU 72 HD21 LEU 72 87.378 -1.540 -3.866 581 HD22 LEU 72 HD22 LEU 72 85.702 -1.781 -3.383 582 HD23 LEU 72 HD23 LEU 72 87.003 -2.154 -2.252 583 H LEU 73 HN LEU 73 82.567 0.887 -5.065 584 HA LEU 73 HA LEU 73 80.721 2.236 -3.126 585 HB2 LEU 73 HB2 LEU 73 79.568 3.204 -5.134 586 HB3 LEU 73 HB1 LEU 73 81.208 3.795 -4.905 587 HG LEU 73 HG LEU 73 81.727 1.668 -6.552 588 HD11 LEU 73 HD11 LEU 73 79.101 1.416 -6.662 589 HD12 LEU 73 HD12 LEU 73 80.048 1.283 -8.145 590 HD13 LEU 73 HD13 LEU 73 79.195 2.779 -7.769 591 HD21 LEU 73 HD21 LEU 73 82.375 4.079 -6.870 592 HD22 LEU 73 HD22 LEU 73 80.795 4.371 -7.576 593 HD23 LEU 73 HD23 LEU 73 81.924 3.272 -8.364 594 H LYS 74 HN LYS 74 81.414 -0.664 -4.230 595 HA LYS 74 HA LYS 74 78.708 -1.501 -5.099 596 HB2 LYS 74 HB2 LYS 74 81.411 -2.809 -4.970 597 HB3 LYS 74 HB1 LYS 74 79.982 -3.826 -5.003 598 HG2 LYS 74 HG2 LYS 74 80.823 -3.457 -7.281 599 HG3 LYS 74 HG1 LYS 74 79.231 -2.739 -7.078 600 HD2 LYS 74 HD2 LYS 74 80.738 -1.207 -8.278 601 HD3 LYS 74 HD1 LYS 74 80.258 -0.540 -6.726 602 HE2 LYS 74 HE2 LYS 74 82.781 -0.450 -7.429 603 HE3 LYS 74 HE1 LYS 74 82.361 -0.871 -5.771 604 HZ1 LYS 74 HZ1 LYS 74 83.925 -2.455 -6.525 605 HZ2 LYS 74 HZ2 LYS 74 83.083 -2.713 -7.978 606 HZ3 LYS 74 HZ3 LYS 74 82.423 -3.240 -6.505 607 H THR 75 HN THR 75 78.008 -0.725 -2.798 608 HA THR 75 HA THR 75 78.735 -2.195 -0.465 609 HB THR 75 HB THR 75 75.952 -1.118 -0.956 610 HG1 THR 75 HG1 THR 75 78.026 0.229 -1.511 611 HG21 THR 75 HG21 THR 75 76.006 -0.638 1.394 612 HG22 THR 75 HG22 THR 75 77.737 -0.959 1.482 613 HG23 THR 75 HG23 THR 75 76.606 -2.281 1.200 614 H HIS 76 HN HIS 76 77.278 -3.270 -3.259 615 HA HIS 76 HA HIS 76 75.231 -5.009 -2.386 616 HB2 HIS 76 HB2 HIS 76 77.135 -5.194 -4.722 617 HB3 HIS 76 HB1 HIS 76 75.782 -6.301 -4.491 618 HD1 HIS 76 HD1 HIS 76 76.580 -3.177 -6.072 619 HD2 HIS 76 HD2 HIS 76 73.209 -4.694 -4.146 620 HE1 HIS 76 HE1 HIS 76 74.629 -1.735 -6.801 621 H TRP 77 HN TRP 77 78.592 -6.057 -3.176 622 HA TRP 77 HA TRP 77 78.077 -8.540 -1.682 623 HB2 TRP 77 HB2 TRP 77 80.519 -8.985 -2.475 624 HB3 TRP 77 HB1 TRP 77 79.226 -9.009 -3.647 625 HD1 TRP 77 HD1 TRP 77 79.272 -7.278 -5.535 626 HE1 TRP 77 HE1 TRP 77 80.954 -5.476 -6.251 627 HE3 TRP 77 HE3 TRP 77 82.292 -7.169 -1.429 628 HZ2 TRP 77 HZ2 TRP 77 83.278 -4.152 -5.233 629 HZ3 TRP 77 HZ3 TRP 77 84.227 -5.632 -1.321 630 HH2 TRP 77 HH2 TRP 77 84.722 -4.119 -3.220 631 H THR 78 HN THR 78 80.784 -9.007 -0.727 632 HA THR 78 HA THR 78 81.114 -6.890 1.341 633 HB THR 78 HB THR 78 81.401 -9.658 2.383 634 HG1 THR 78 HG1 THR 78 78.922 -8.724 1.387 635 HG21 THR 78 HG21 THR 78 81.349 -7.969 4.014 636 HG22 THR 78 HG22 THR 78 79.736 -8.682 4.079 637 HG23 THR 78 HG23 THR 78 79.974 -7.141 3.263 638 H LEU 79 HN LEU 79 83.116 -7.197 2.551 639 HA LEU 79 HA LEU 79 85.481 -7.122 1.186 640 HB2 LEU 79 HB2 LEU 79 84.788 -8.158 3.911 641 HB3 LEU 79 HB1 LEU 79 86.461 -8.232 3.374 642 HG LEU 79 HG LEU 79 86.422 -5.784 3.004 643 HD11 LEU 79 HD11 LEU 79 84.079 -5.419 2.516 644 HD12 LEU 79 HD12 LEU 79 84.451 -4.546 4.004 645 HD13 LEU 79 HD13 LEU 79 83.609 -6.091 4.076 646 HD21 LEU 79 HD21 LEU 79 85.390 -6.533 5.759 647 HD22 LEU 79 HD22 LEU 79 86.473 -5.198 5.355 648 HD23 LEU 79 HD23 LEU 79 87.035 -6.866 5.215 649 H ASP 80 HN ASP 80 84.498 -10.027 2.943 650 HA ASP 80 HA ASP 80 86.298 -11.895 2.011 651 HB2 ASP 80 HB2 ASP 80 84.485 -12.286 3.663 652 HB3 ASP 80 HB1 ASP 80 83.325 -12.346 2.334 653 H LYS 81 HN LYS 81 83.172 -11.164 0.532 654 HA LYS 81 HA LYS 81 83.194 -12.851 -1.632 655 HB2 LYS 81 HB2 LYS 81 82.458 -9.963 -1.975 656 HB3 LYS 81 HB1 LYS 81 81.691 -11.375 -2.695 657 HG2 LYS 81 HG2 LYS 81 81.569 -10.474 0.185 658 HG3 LYS 81 HG1 LYS 81 80.231 -10.630 -0.945 659 HD2 LYS 81 HD2 LYS 81 80.704 -13.097 -1.045 660 HD3 LYS 81 HD1 LYS 81 81.845 -12.869 0.275 661 HE2 LYS 81 HE2 LYS 81 80.155 -12.205 1.787 662 HE3 LYS 81 HE1 LYS 81 78.994 -11.906 0.495 663 HZ1 LYS 81 HZ1 LYS 81 79.937 -14.481 1.577 664 HZ2 LYS 81 HZ2 LYS 81 79.301 -14.391 0.004 665 HZ3 LYS 81 HZ3 LYS 81 78.347 -13.944 1.337 666 H TYR 82 HN TYR 82 84.595 -9.575 -1.630 667 HA TYR 82 HA TYR 82 85.886 -10.047 -4.201 668 HB2 TYR 82 HB2 TYR 82 85.231 -7.773 -2.941 669 HB3 TYR 82 HB1 TYR 82 86.885 -7.898 -2.352 670 HD1 TYR 82 HD1 TYR 82 84.948 -6.526 -4.904 671 HD2 TYR 82 HD2 TYR 82 88.608 -8.698 -4.324 672 HE1 TYR 82 HE1 TYR 82 85.794 -5.684 -7.078 673 HE2 TYR 82 HE2 TYR 82 89.452 -7.857 -6.496 674 HH TYR 82 HH TYR 82 87.647 -6.675 -8.836 675 H GLY 83 HN GLY 83 86.978 -10.005 -0.812 676 HA2 GLY 83 HA2 GLY 83 88.624 -11.813 -0.203 677 HA3 GLY 83 HA1 GLY 83 89.492 -11.419 -1.687 678 H ILE 84 HN ILE 84 88.150 -8.696 -0.197 679 HA ILE 84 HA ILE 84 90.670 -7.452 0.286 680 HB ILE 84 HB ILE 84 87.908 -6.855 1.385 681 HG12 ILE 84 HG12 ILE 84 89.360 -5.227 -0.700 682 HG13 ILE 84 HG11 ILE 84 88.571 -6.728 -1.187 683 HG21 ILE 84 HG21 ILE 84 90.508 -5.319 1.533 684 HG22 ILE 84 HG22 ILE 84 89.463 -5.804 2.866 685 HG23 ILE 84 HG23 ILE 84 88.941 -4.544 1.750 686 HD11 ILE 84 HD11 ILE 84 86.439 -5.942 -0.587 687 HD12 ILE 84 HD12 ILE 84 87.204 -4.519 -1.292 688 HD13 ILE 84 HD13 ILE 84 87.094 -4.683 0.461 689 H GLN 85 HN GLN 85 91.511 -6.807 2.459 690 HA GLN 85 HA GLN 85 90.603 -8.301 4.789 691 HB2 GLN 85 HB2 GLN 85 92.200 -9.785 3.177 692 HB3 GLN 85 HB1 GLN 85 93.445 -8.941 4.088 693 HG2 GLN 85 HG2 GLN 85 93.126 -10.766 5.492 694 HG3 GLN 85 HG1 GLN 85 91.927 -9.667 6.173 695 HE21 GLN 85 HE21 GLN 85 89.884 -9.834 4.286 696 HE22 GLN 85 HE22 GLN 85 89.271 -11.409 4.244 697 H ALA 86 HN ALA 86 92.798 -8.121 6.380 698 HA ALA 86 HA ALA 86 92.958 -5.299 6.937 699 HB1 ALA 86 HB1 ALA 86 93.690 -6.079 8.958 700 HB2 ALA 86 HB2 ALA 86 95.029 -6.955 8.209 701 HB3 ALA 86 HB3 ALA 86 93.435 -7.696 8.304 702 H ASP 87 HN ASP 87 94.796 -7.447 4.959 703 HA ASP 87 HA ASP 87 97.235 -5.834 4.993 704 HB2 ASP 87 HB2 ASP 87 97.847 -7.327 3.045 705 HB3 ASP 87 HB1 ASP 87 97.472 -8.187 4.541 706 H ALA 88 HN ALA 88 94.205 -5.527 3.594 707 HA ALA 88 HA ALA 88 95.170 -4.135 1.158 708 HB1 ALA 88 HB1 ALA 88 92.776 -5.540 1.957 709 HB2 ALA 88 HB2 ALA 88 93.194 -4.941 0.352 710 HB3 ALA 88 HB3 ALA 88 92.328 -3.900 1.478 711 H LYS 89 HN LYS 89 95.792 -2.018 1.498 712 HA LYS 89 HA LYS 89 94.501 -0.484 3.693 713 HB2 LYS 89 HB2 LYS 89 96.655 0.618 1.901 714 HB3 LYS 89 HB1 LYS 89 96.277 1.036 3.570 715 HG2 LYS 89 HG2 LYS 89 97.371 -1.661 2.718 716 HG3 LYS 89 HG1 LYS 89 98.360 -0.330 3.282 717 HD2 LYS 89 HD2 LYS 89 97.502 -0.418 5.467 718 HD3 LYS 89 HD1 LYS 89 96.075 -1.318 4.970 719 HE2 LYS 89 HE2 LYS 89 97.657 -2.790 6.132 720 HE3 LYS 89 HE1 LYS 89 97.457 -3.265 4.445 721 HZ1 LYS 89 HZ1 LYS 89 99.597 -2.903 4.062 722 HZ2 LYS 89 HZ2 LYS 89 99.820 -2.671 5.730 723 HZ3 LYS 89 HZ3 LYS 89 99.523 -1.340 4.717 724 H LEU 90 HN LEU 90 92.756 0.572 3.262 725 HA LEU 90 HA LEU 90 92.180 1.508 0.500 726 HB2 LEU 90 HB2 LEU 90 90.269 1.688 2.817 727 HB3 LEU 90 HB1 LEU 90 89.910 1.569 1.095 728 HG LEU 90 HG LEU 90 91.093 -0.596 2.839 729 HD11 LEU 90 HD11 LEU 90 88.417 -0.291 1.450 730 HD12 LEU 90 HD12 LEU 90 88.702 -0.330 3.190 731 HD13 LEU 90 HD13 LEU 90 88.970 -1.779 2.220 732 HD21 LEU 90 HD21 LEU 90 90.582 -0.426 -0.137 733 HD22 LEU 90 HD22 LEU 90 90.738 -1.970 0.703 734 HD23 LEU 90 HD23 LEU 90 92.089 -0.838 0.683 735 H GLN 91 HN GLN 91 90.853 3.658 0.586 736 HA GLN 91 HA GLN 91 92.149 5.635 2.410 737 HB2 GLN 91 HB2 GLN 91 91.567 6.150 -0.523 738 HB3 GLN 91 HB1 GLN 91 92.472 7.178 0.583 739 HG2 GLN 91 HG2 GLN 91 94.376 5.822 0.499 740 HG3 GLN 91 HG1 GLN 91 93.476 4.396 0.030 741 HE21 GLN 91 HE21 GLN 91 92.497 7.160 -1.679 742 HE22 GLN 91 HE22 GLN 91 93.339 6.844 -3.110 743 H PHE 92 HN PHE 92 90.805 7.734 2.328 744 HA PHE 92 HA PHE 92 87.947 7.206 1.662 745 HB2 PHE 92 HB2 PHE 92 88.232 6.793 4.061 746 HB3 PHE 92 HB1 PHE 92 89.001 8.351 4.269 747 HD1 PHE 92 HD1 PHE 92 87.581 9.684 5.556 748 HD2 PHE 92 HD2 PHE 92 85.859 7.305 2.411 749 HE1 PHE 92 HE1 PHE 92 85.367 10.659 6.022 750 HE2 PHE 92 HE2 PHE 92 83.651 8.306 2.872 751 HZ PHE 92 HZ PHE 92 83.398 9.983 4.678 752 H THR 93 HN THR 93 87.906 8.527 -0.075 753 HA THR 93 HA THR 93 88.444 11.435 0.416 754 HB THR 93 HB THR 93 90.442 11.063 -0.680 755 HG1 THR 93 HG1 THR 93 89.980 10.972 -3.082 756 HG21 THR 93 HG21 THR 93 90.777 9.148 -2.278 757 HG22 THR 93 HG22 THR 93 89.118 8.650 -1.947 758 HG23 THR 93 HG23 THR 93 90.314 8.647 -0.652 759 HA PRO 94 HA PRO 94 84.842 12.499 -1.948 760 HB2 PRO 94 HB2 PRO 94 86.014 14.161 -3.932 761 HB3 PRO 94 HB1 PRO 94 85.394 14.681 -2.355 762 HG2 PRO 94 HG2 PRO 94 88.190 14.070 -3.177 763 HG3 PRO 94 HG1 PRO 94 87.585 15.295 -2.046 764 HD2 PRO 94 HD2 PRO 94 88.762 13.083 -1.133 765 HD3 PRO 94 HD1 PRO 94 87.345 13.751 -0.297 766 H TYR 541 HT1 TYR 541 57.812 42.735 16.515 767 HA TYR 541 HA TYR 541 56.915 40.913 17.621 768 HB2 TYR 541 HB2 TYR 541 54.449 42.584 18.182 769 HB3 TYR 541 HB1 TYR 541 54.818 40.980 18.817 770 HD1 TYR 541 HD1 TYR 541 56.760 40.677 20.387 771 HD2 TYR 541 HD2 TYR 541 55.352 44.554 19.190 772 HE1 TYR 541 HE1 TYR 541 57.974 41.704 22.289 773 HE2 TYR 541 HE2 TYR 541 56.566 45.583 21.093 774 HH TYR 541 HH TYR 541 57.375 44.568 23.519 775 H HIS 542 HN HIS 542 56.915 40.084 15.496 776 HA HIS 542 HA HIS 542 55.092 40.825 13.444 777 HB2 HIS 542 HB2 HIS 542 56.254 38.055 13.764 778 HB3 HIS 542 HB1 HIS 542 55.898 38.930 12.279 779 HD1 HIS 542 HD1 HIS 542 58.121 39.460 15.342 780 HD2 HIS 542 HD2 HIS 542 58.154 40.098 11.223 781 HE1 HIS 542 HE1 HIS 542 60.387 40.446 14.788 782 H GLU 543 HN GLU 543 53.802 38.556 12.585 783 HA GLU 543 HA GLU 543 52.079 37.630 14.838 784 HB2 GLU 543 HB2 GLU 543 50.074 38.076 13.315 785 HB3 GLU 543 HB1 GLU 543 50.830 39.502 14.028 786 HG2 GLU 543 HG2 GLU 543 51.940 40.064 12.006 787 HG3 GLU 543 HG1 GLU 543 51.646 38.471 11.307 788 H ARG 544 HN ARG 544 53.921 36.857 12.198 789 HA ARG 544 HA ARG 544 52.214 34.698 11.155 790 HB2 ARG 544 HB2 ARG 544 55.095 35.462 10.580 791 HB3 ARG 544 HB1 ARG 544 54.235 34.161 9.776 792 HG2 ARG 544 HG2 ARG 544 53.796 35.838 8.245 793 HG3 ARG 544 HG1 ARG 544 52.437 36.119 9.331 794 HD2 ARG 544 HD2 ARG 544 53.359 38.262 9.125 795 HD3 ARG 544 HD1 ARG 544 54.117 37.670 10.602 796 HE ARG 544 HE ARG 544 55.880 36.903 8.613 797 HH11 ARG 544 HH11 ARG 544 57.586 38.212 7.922 798 HH12 ARG 544 HH12 ARG 544 57.476 39.930 8.118 799 HH21 ARG 544 HH21 ARG 544 54.336 39.827 9.587 800 HH22 ARG 544 HH22 ARG 544 55.637 40.844 9.063 801 H ARG 545 HN ARG 545 51.954 33.053 12.651 802 HA ARG 545 HA ARG 545 54.167 32.208 14.365 803 HB2 ARG 545 HB2 ARG 545 51.385 31.090 13.890 804 HB3 ARG 545 HB1 ARG 545 52.526 30.416 15.038 805 HG2 ARG 545 HG2 ARG 545 51.393 31.832 16.476 806 HG3 ARG 545 HG1 ARG 545 52.618 32.956 15.902 807 HD2 ARG 545 HD2 ARG 545 50.647 34.186 15.606 808 HD3 ARG 545 HD1 ARG 545 50.863 33.476 14.009 809 HE ARG 545 HE ARG 545 49.317 31.614 15.363 810 HH11 ARG 545 HH11 ARG 545 47.057 31.676 15.360 811 HH12 ARG 545 HH12 ARG 545 46.246 33.178 15.066 812 HH21 ARG 545 HH21 ARG 545 49.177 34.994 14.698 813 HH22 ARG 545 HH22 ARG 545 47.446 35.056 14.691 814 H GLY 546 HN GLY 546 53.792 29.405 14.284 815 HA2 GLY 546 HA2 GLY 546 54.063 28.425 11.564 816 HA3 GLY 546 HA1 GLY 546 55.624 28.552 12.373 817 H SER 547 HN SER 547 56.191 26.991 13.855 818 HA SER 547 HA SER 547 54.268 25.285 15.191 819 HB2 SER 547 HB2 SER 547 55.574 24.384 12.647 820 HB3 SER 547 HB1 SER 547 55.395 23.204 13.943 821 HG SER 547 HG SER 547 53.424 24.640 12.525 822 H LEU 548 HN LEU 548 55.358 24.986 17.109 823 HA LEU 548 HA LEU 548 58.106 25.544 17.411 824 HB2 LEU 548 HB2 LEU 548 55.963 24.382 19.081 825 HB3 LEU 548 HB1 LEU 548 57.579 23.864 19.540 826 HG LEU 548 HG LEU 548 58.245 26.332 19.516 827 HD11 LEU 548 HD11 LEU 548 56.555 27.358 18.237 828 HD12 LEU 548 HD12 LEU 548 56.210 27.862 19.886 829 HD13 LEU 548 HD13 LEU 548 55.265 26.574 19.143 830 HD21 LEU 548 HD21 LEU 548 57.572 24.936 21.572 831 HD22 LEU 548 HD22 LEU 548 56.033 25.791 21.482 832 HD23 LEU 548 HD23 LEU 548 57.532 26.692 21.724 833 H CYS 549 HN CYS 549 59.952 24.348 17.206 834 HA CYS 549 HA CYS 549 59.674 21.688 15.970 835 HB2 CYS 549 HB2 CYS 549 61.440 22.924 15.012 836 HB3 CYS 549 HB1 CYS 549 61.937 23.593 16.555 837 H SER 550 HN SER 550 59.039 20.251 17.461 838 HA SER 550 HA SER 550 59.408 20.260 20.203 839 HB2 SER 550 HB2 SER 550 57.933 18.640 19.437 840 HB3 SER 550 HB1 SER 550 59.058 18.039 18.223 841 HG SER 550 HG SER 550 60.146 16.950 19.749 842 H GLY 551 HN GLY 551 61.073 20.149 21.458 843 HA2 GLY 551 HA2 GLY 551 63.154 19.013 22.202 844 HA3 GLY 551 HA1 GLY 551 63.621 18.889 20.501 845 H CYS 552 HN CYS 552 62.625 21.451 19.782 846 HA CYS 552 HA CYS 552 64.740 23.211 20.945 847 HB2 CYS 552 HB2 CYS 552 63.309 22.999 18.312 848 HB3 CYS 552 HB1 CYS 552 63.954 24.557 18.800 849 H GLN 553 HN GLN 553 61.348 22.838 20.154 850 HA GLN 553 HA GLN 553 59.486 24.042 20.709 851 HB2 GLN 553 HB2 GLN 553 61.140 24.630 23.149 852 HB3 GLN 553 HB1 GLN 553 59.419 24.994 22.998 853 HG2 GLN 553 HG2 GLN 553 60.601 22.248 22.578 854 HG3 GLN 553 HG1 GLN 553 59.889 22.777 24.090 855 HE21 GLN 553 HE21 GLN 553 59.169 22.065 20.697 856 HE22 GLN 553 HE22 GLN 553 57.499 21.839 20.908 857 H LYS 554 HN LYS 554 60.611 25.218 18.884 858 HA LYS 554 HA LYS 554 60.351 28.112 19.447 859 HB2 LYS 554 HB2 LYS 554 62.593 26.858 17.839 860 HB3 LYS 554 HB1 LYS 554 62.249 28.582 17.873 861 HG2 LYS 554 HG2 LYS 554 62.920 26.913 20.310 862 HG3 LYS 554 HG1 LYS 554 64.074 27.919 19.443 863 HD2 LYS 554 HD2 LYS 554 62.268 29.817 19.855 864 HD3 LYS 554 HD1 LYS 554 61.741 28.745 21.151 865 HE2 LYS 554 HE2 LYS 554 64.119 28.705 21.984 866 HE3 LYS 554 HE1 LYS 554 64.496 29.947 20.790 867 HZ1 LYS 554 HZ1 LYS 554 63.679 30.486 23.259 868 HZ2 LYS 554 HZ2 LYS 554 62.179 30.455 22.462 869 HZ3 LYS 554 HZ3 LYS 554 63.399 31.516 21.941 870 HA PRO 555 HA PRO 555 57.392 27.295 16.104 871 HB2 PRO 555 HB2 PRO 555 57.981 30.093 15.321 872 HB3 PRO 555 HB1 PRO 555 56.424 29.311 15.613 873 HG2 PRO 555 HG2 PRO 555 57.613 31.026 17.404 874 HG3 PRO 555 HG1 PRO 555 56.483 29.754 17.880 875 HD2 PRO 555 HD2 PRO 555 59.389 29.908 18.373 876 HD3 PRO 555 HD1 PRO 555 58.191 28.818 19.112 877 H ILE 556 HN ILE 556 57.665 26.437 14.182 878 HA ILE 556 HA ILE 556 60.217 26.780 12.724 879 HB ILE 556 HB ILE 556 57.845 24.909 12.408 880 HG12 ILE 556 HG12 ILE 556 60.673 24.083 13.060 881 HG13 ILE 556 HG11 ILE 556 59.660 24.706 14.345 882 HG21 ILE 556 HG21 ILE 556 60.402 25.180 10.819 883 HG22 ILE 556 HG22 ILE 556 58.744 25.224 10.219 884 HG23 ILE 556 HG23 ILE 556 59.426 23.715 10.825 885 HD11 ILE 556 HD11 ILE 556 59.719 22.085 13.666 886 HD12 ILE 556 HD12 ILE 556 58.417 22.616 12.607 887 HD13 ILE 556 HD13 ILE 556 58.291 22.850 14.350 888 H THR 557 HN THR 557 60.003 28.781 11.657 889 HA THR 557 HA THR 557 57.510 29.294 10.110 890 HB THR 557 HB THR 557 58.106 31.561 10.149 891 HG1 THR 557 HG1 THR 557 60.716 30.922 11.003 892 HG21 THR 557 HG21 THR 557 59.409 30.513 12.665 893 HG22 THR 557 HG22 THR 557 57.664 30.456 12.411 894 HG23 THR 557 HG23 THR 557 58.501 32.011 12.462 895 H GLY 558 HN GLY 558 57.832 27.911 8.373 896 HA2 GLY 558 HA2 GLY 558 58.781 28.803 5.985 897 HA3 GLY 558 HA1 GLY 558 60.227 28.072 6.697 898 H ARG 559 HN ARG 559 60.337 25.866 6.900 899 HA ARG 559 HA ARG 559 58.088 24.253 5.759 900 HB2 ARG 559 HB2 ARG 559 61.090 24.041 5.576 901 HB3 ARG 559 HB1 ARG 559 60.128 22.565 5.484 902 HG2 ARG 559 HG2 ARG 559 59.398 24.935 3.778 903 HG3 ARG 559 HG1 ARG 559 60.716 23.889 3.281 904 HD2 ARG 559 HD2 ARG 559 59.327 22.033 2.999 905 HD3 ARG 559 HD1 ARG 559 58.085 22.648 4.081 906 HE ARG 559 HE ARG 559 58.250 23.016 1.220 907 HH11 ARG 559 HH11 ARG 559 57.113 24.615 0.141 908 HH12 ARG 559 HH12 ARG 559 56.400 25.913 1.039 909 HH21 ARG 559 HH21 ARG 559 57.486 24.744 4.113 910 HH22 ARG 559 HH22 ARG 559 56.610 25.986 3.281 911 H CYS 560 HN CYS 560 57.594 22.300 6.952 912 HA CYS 560 HA CYS 560 59.030 21.953 9.524 913 HB2 CYS 560 HB2 CYS 560 56.942 21.899 10.812 914 HB3 CYS 560 HB1 CYS 560 57.208 23.482 10.078 915 HG CYS 560 HG CYS 560 55.126 23.198 8.768 916 H ILE 561 HN ILE 561 59.430 19.966 9.924 917 HA ILE 561 HA ILE 561 58.048 17.830 8.424 918 HB ILE 561 HB ILE 561 60.419 17.813 10.312 919 HG12 ILE 561 HG12 ILE 561 60.112 17.668 7.320 920 HG13 ILE 561 HG11 ILE 561 60.821 18.992 8.226 921 HG21 ILE 561 HG21 ILE 561 59.502 15.607 8.462 922 HG22 ILE 561 HG22 ILE 561 59.110 15.619 10.184 923 HG23 ILE 561 HG23 ILE 561 60.789 15.531 9.660 924 HD11 ILE 561 HD11 ILE 561 62.662 17.704 7.404 925 HD12 ILE 561 HD12 ILE 561 61.897 16.185 7.892 926 HD13 ILE 561 HD13 ILE 561 62.510 17.305 9.117 927 H THR 562 HN THR 562 56.939 16.235 9.448 928 HA THR 562 HA THR 562 56.238 16.663 12.328 929 HB THR 562 HB THR 562 54.374 15.450 10.293 930 HG1 THR 562 HG1 THR 562 54.798 18.124 11.052 931 HG21 THR 562 HG21 THR 562 52.715 15.792 12.004 932 HG22 THR 562 HG22 THR 562 53.842 16.738 12.977 933 HG23 THR 562 HG23 THR 562 54.099 15.005 12.768 934 H ALA 563 HN ALA 563 56.039 14.871 13.571 935 HA ALA 563 HA ALA 563 56.963 12.285 12.387 936 HB1 ALA 563 HB1 ALA 563 58.298 11.926 14.327 937 HB2 ALA 563 HB2 ALA 563 57.538 13.274 15.176 938 HB3 ALA 563 HB3 ALA 563 58.623 13.589 13.819 939 H MET 564 HN MET 564 56.596 11.662 15.463 940 HA MET 564 HA MET 564 54.110 10.264 15.207 941 HB2 MET 564 HB2 MET 564 55.286 11.063 17.857 942 HB3 MET 564 HB1 MET 564 54.527 9.539 17.392 943 HG2 MET 564 HG2 MET 564 56.528 9.272 15.765 944 HG3 MET 564 HG1 MET 564 57.281 10.552 16.713 945 HE1 MET 564 HE1 MET 564 57.173 6.728 16.435 946 HE2 MET 564 HE2 MET 564 55.516 7.297 16.616 947 HE3 MET 564 HE3 MET 564 56.234 6.284 17.867 948 H ALA 565 HN ALA 565 54.168 13.171 14.769 949 HA ALA 565 HA ALA 565 52.212 14.609 14.856 950 HB1 ALA 565 HB1 ALA 565 52.097 13.986 17.821 951 HB2 ALA 565 HB2 ALA 565 51.089 13.155 16.628 952 HB3 ALA 565 HB3 ALA 565 50.930 14.892 16.863 953 H LYS 566 HN LYS 566 55.144 14.178 16.346 954 HA LYS 566 HA LYS 566 55.352 16.829 17.585 955 HB2 LYS 566 HB2 LYS 566 57.546 14.864 16.870 956 HB3 LYS 566 HB1 LYS 566 57.652 16.188 18.016 957 HG2 LYS 566 HG2 LYS 566 55.742 13.853 18.306 958 HG3 LYS 566 HG1 LYS 566 57.318 13.930 19.075 959 HD2 LYS 566 HD2 LYS 566 56.217 14.919 20.825 960 HD3 LYS 566 HD1 LYS 566 56.233 16.372 19.830 961 HE2 LYS 566 HE2 LYS 566 53.964 16.177 20.363 962 HE3 LYS 566 HE1 LYS 566 54.026 15.351 18.806 963 HZ1 LYS 566 HZ1 LYS 566 53.681 13.353 19.748 964 HZ2 LYS 566 HZ2 LYS 566 52.979 14.273 20.992 965 HZ3 LYS 566 HZ3 LYS 566 54.577 13.716 21.142 966 H LYS 567 HN LYS 567 56.591 18.565 16.690 967 HA LYS 567 HA LYS 567 56.839 18.443 13.722 968 HB2 LYS 567 HB2 LYS 567 57.295 20.914 15.353 969 HB3 LYS 567 HB1 LYS 567 56.656 20.776 13.728 970 HG2 LYS 567 HG2 LYS 567 55.228 19.969 16.286 971 HG3 LYS 567 HG1 LYS 567 54.862 21.374 15.296 972 HD2 LYS 567 HD2 LYS 567 54.639 18.485 14.349 973 HD3 LYS 567 HD1 LYS 567 53.292 19.503 14.857 974 HE2 LYS 567 HE2 LYS 567 54.138 21.180 13.068 975 HE3 LYS 567 HE1 LYS 567 55.047 19.813 12.431 976 HZ1 LYS 567 HZ1 LYS 567 52.194 19.483 13.033 977 HZ2 LYS 567 HZ2 LYS 567 53.154 18.679 11.885 978 HZ3 LYS 567 HZ3 LYS 567 52.649 20.277 11.605 979 H PHE 568 HN PHE 568 58.899 19.815 12.936 980 HA PHE 568 HA PHE 568 61.183 19.549 14.760 981 HB2 PHE 568 HB2 PHE 568 60.432 17.329 13.072 982 HB3 PHE 568 HB1 PHE 568 61.962 17.954 12.478 983 HD1 PHE 568 HD1 PHE 568 60.544 15.671 14.721 984 HD2 PHE 568 HD2 PHE 568 63.664 18.617 14.491 985 HE1 PHE 568 HE1 PHE 568 61.733 14.558 16.591 986 HE2 PHE 568 HE2 PHE 568 64.853 17.502 16.361 987 HZ PHE 568 HZ PHE 568 63.887 15.473 17.411 988 H HIS 569 HN HIS 569 62.823 20.878 14.135 989 HA HIS 569 HA HIS 569 62.441 22.779 12.061 990 HB2 HIS 569 HB2 HIS 569 64.779 21.848 13.665 991 HB3 HIS 569 HB1 HIS 569 65.105 22.852 12.266 992 HD2 HIS 569 HD2 HIS 569 63.230 25.330 12.470 993 HE1 HIS 569 HE1 HIS 569 63.920 25.398 16.633 994 HA PRO 570 HA PRO 570 62.927 19.678 8.740 995 HB2 PRO 570 HB2 PRO 570 63.775 22.118 7.226 996 HB3 PRO 570 HB1 PRO 570 62.599 20.869 6.780 997 HG2 PRO 570 HG2 PRO 570 61.822 23.317 7.664 998 HG3 PRO 570 HG1 PRO 570 60.886 21.857 7.992 999 HD2 PRO 570 HD2 PRO 570 62.506 23.486 9.866 1000 HD3 PRO 570 HD1 PRO 570 61.182 22.343 10.212 1001 H GLU 571 HN GLU 571 65.344 21.605 10.185 1002 HA GLU 571 HA GLU 571 67.539 20.277 8.658 1003 HB2 GLU 571 HB2 GLU 571 67.970 22.452 10.695 1004 HB3 GLU 571 HB1 GLU 571 68.915 22.065 9.260 1005 HG2 GLU 571 HG2 GLU 571 66.846 22.738 7.908 1006 HG3 GLU 571 HG1 GLU 571 66.231 23.421 9.416 1007 H HIS 572 HN HIS 572 66.675 21.164 12.012 1008 HA HIS 572 HA HIS 572 68.639 19.552 13.264 1009 HB2 HIS 572 HB2 HIS 572 65.861 20.022 14.384 1010 HB3 HIS 572 HB1 HIS 572 67.340 19.718 15.292 1011 HD2 HIS 572 HD2 HIS 572 68.994 21.893 13.116 1012 HE1 HIS 572 HE1 HIS 572 66.762 24.739 15.278 1013 H PHE 573 HN PHE 573 66.200 18.528 11.264 1014 HA PHE 573 HA PHE 573 66.329 15.750 12.384 1015 HB2 PHE 573 HB2 PHE 573 64.066 16.956 12.551 1016 HB3 PHE 573 HB1 PHE 573 64.023 16.868 10.795 1017 HD1 PHE 573 HD1 PHE 573 63.369 14.872 9.691 1018 HD2 PHE 573 HD2 PHE 573 64.372 14.782 13.867 1019 HE1 PHE 573 HE1 PHE 573 62.573 12.528 9.832 1020 HE2 PHE 573 HE2 PHE 573 63.575 12.438 14.008 1021 HZ PHE 573 HZ PHE 573 62.676 11.311 11.991 1022 H VAL 574 HN VAL 574 68.273 16.511 10.725 1023 HA VAL 574 HA VAL 574 67.530 15.935 7.941 1024 HB VAL 574 HB VAL 574 69.997 16.266 7.526 1025 HG11 VAL 574 HG11 VAL 574 67.991 18.190 7.911 1026 HG12 VAL 574 HG12 VAL 574 69.547 18.450 7.142 1027 HG13 VAL 574 HG13 VAL 574 69.356 18.810 8.834 1028 HG21 VAL 574 HG21 VAL 574 70.771 15.654 9.764 1029 HG22 VAL 574 HG22 VAL 574 69.934 17.050 10.459 1030 HG23 VAL 574 HG23 VAL 574 71.294 17.289 9.366 1031 H CYS 575 HN CYS 575 69.292 14.421 6.834 1032 HA CYS 575 HA CYS 575 69.129 11.805 8.156 1033 HB2 CYS 575 HB2 CYS 575 69.009 11.259 5.957 1034 HB3 CYS 575 HB1 CYS 575 69.619 12.839 5.478 1035 H ALA 576 HN ALA 576 70.927 10.659 9.101 1036 HA ALA 576 HA ALA 576 73.285 12.460 9.566 1037 HB1 ALA 576 HB1 ALA 576 72.042 11.053 11.385 1038 HB2 ALA 576 HB2 ALA 576 73.808 11.063 11.395 1039 HB3 ALA 576 HB3 ALA 576 72.938 9.685 10.720 1040 H PHE 577 HN PHE 577 73.815 12.179 7.271 1041 HA PHE 577 HA PHE 577 76.015 10.295 6.931 1042 HB2 PHE 577 HB2 PHE 577 74.256 8.932 5.878 1043 HB3 PHE 577 HB1 PHE 577 73.687 10.322 4.968 1044 HD1 PHE 577 HD1 PHE 577 76.772 8.252 5.491 1045 HD2 PHE 577 HD2 PHE 577 74.503 10.715 2.807 1046 HE1 PHE 577 HE1 PHE 577 78.332 7.688 3.657 1047 HE2 PHE 577 HE2 PHE 577 76.062 10.147 0.971 1048 HZ PHE 577 HZ PHE 577 77.979 8.635 1.395 1049 H CYS 578 HN CYS 578 73.777 12.431 5.415 1050 HA CYS 578 HA CYS 578 75.851 14.475 4.787 1051 HB2 CYS 578 HB2 CYS 578 74.514 15.035 2.761 1052 HB3 CYS 578 HB1 CYS 578 75.089 13.372 2.680 1053 H LEU 579 HN LEU 579 75.141 15.122 6.946 1054 HA LEU 579 HA LEU 579 72.574 15.593 7.853 1055 HB2 LEU 579 HB2 LEU 579 74.926 17.378 8.483 1056 HB3 LEU 579 HB1 LEU 579 73.550 17.011 9.510 1057 HG LEU 579 HG LEU 579 74.457 14.465 8.996 1058 HD11 LEU 579 HD11 LEU 579 77.064 15.797 9.567 1059 HD12 LEU 579 HD12 LEU 579 76.516 15.842 7.893 1060 HD13 LEU 579 HD13 LEU 579 76.725 14.298 8.712 1061 HD21 LEU 579 HD21 LEU 579 73.930 15.214 11.218 1062 HD22 LEU 579 HD22 LEU 579 75.256 16.376 11.210 1063 HD23 LEU 579 HD23 LEU 579 75.600 14.647 11.257 1064 H LYS 580 HN LYS 580 73.167 16.936 4.961 1065 HA LYS 580 HA LYS 580 72.493 19.713 5.699 1066 HB2 LYS 580 HB2 LYS 580 72.969 20.293 3.518 1067 HB3 LYS 580 HB1 LYS 580 73.900 18.811 3.641 1068 HG2 LYS 580 HG2 LYS 580 71.088 18.937 2.474 1069 HG3 LYS 580 HG1 LYS 580 72.562 19.019 1.525 1070 HD2 LYS 580 HD2 LYS 580 73.180 16.815 2.019 1071 HD3 LYS 580 HD1 LYS 580 72.147 16.747 3.437 1072 HE2 LYS 580 HE2 LYS 580 71.324 15.489 1.358 1073 HE3 LYS 580 HE1 LYS 580 70.177 16.569 2.150 1074 HZ1 LYS 580 HZ1 LYS 580 71.824 17.198 -0.239 1075 HZ2 LYS 580 HZ2 LYS 580 70.804 18.301 0.555 1076 HZ3 LYS 580 HZ3 LYS 580 70.148 16.936 -0.215 1077 H GLN 581 HN GLN 581 70.595 16.954 4.289 1078 HA GLN 581 HA GLN 581 68.230 18.282 5.311 1079 HB2 GLN 581 HB2 GLN 581 68.652 19.520 3.199 1080 HB3 GLN 581 HB1 GLN 581 68.341 18.028 2.315 1081 HG2 GLN 581 HG2 GLN 581 66.266 19.198 2.355 1082 HG3 GLN 581 HG1 GLN 581 66.096 17.951 3.571 1083 HE21 GLN 581 HE21 GLN 581 66.573 18.699 5.900 1084 HE22 GLN 581 HE22 GLN 581 66.182 20.294 6.290 1085 H LEU 582 HN LEU 582 66.452 17.032 5.526 1086 HA LEU 582 HA LEU 582 66.389 14.358 4.234 1087 HB2 LEU 582 HB2 LEU 582 67.294 14.275 6.593 1088 HB3 LEU 582 HB1 LEU 582 65.717 14.807 7.145 1089 HG LEU 582 HG LEU 582 64.700 12.793 6.160 1090 HD11 LEU 582 HD11 LEU 582 65.848 11.927 4.380 1091 HD12 LEU 582 HD12 LEU 582 66.716 11.006 5.606 1092 HD13 LEU 582 HD13 LEU 582 67.401 12.498 4.973 1093 HD21 LEU 582 HD21 LEU 582 65.241 12.476 8.409 1094 HD22 LEU 582 HD22 LEU 582 66.976 12.546 8.120 1095 HD23 LEU 582 HD23 LEU 582 66.062 11.115 7.649 1096 H ASN 583 HN ASN 583 64.095 13.392 4.587 1097 HA ASN 583 HA ASN 583 61.985 15.448 4.952 1098 HB2 ASN 583 HB2 ASN 583 62.654 14.097 2.336 1099 HB3 ASN 583 HB1 ASN 583 60.990 14.556 2.679 1100 HD21 ASN 583 HD21 ASN 583 62.247 15.799 0.561 1101 HD22 ASN 583 HD22 ASN 583 62.599 17.408 0.952 1102 H LYS 584 HN LYS 584 60.242 14.541 5.903 1103 HA LYS 584 HA LYS 584 60.165 11.943 6.929 1104 HB2 LYS 584 HB2 LYS 584 57.657 12.352 7.034 1105 HB3 LYS 584 HB1 LYS 584 58.660 13.618 7.749 1106 HG2 LYS 584 HG2 LYS 584 58.325 15.096 5.955 1107 HG3 LYS 584 HG1 LYS 584 57.863 13.807 4.838 1108 HD2 LYS 584 HD2 LYS 584 55.889 15.098 5.500 1109 HD3 LYS 584 HD1 LYS 584 55.792 13.458 6.137 1110 HE2 LYS 584 HE2 LYS 584 56.400 14.158 8.329 1111 HE3 LYS 584 HE1 LYS 584 56.926 15.739 7.752 1112 HZ1 LYS 584 HZ1 LYS 584 54.375 15.651 6.918 1113 HZ2 LYS 584 HZ2 LYS 584 54.887 16.376 8.367 1114 HZ3 LYS 584 HZ3 LYS 584 54.271 14.792 8.376 1115 H GLY 585 HN GLY 585 59.576 13.014 3.710 1116 HA2 GLY 585 HA2 GLY 585 58.007 10.648 2.952 1117 HA3 GLY 585 HA1 GLY 585 58.529 11.944 1.878 1118 H THR 586 HN THR 586 61.264 11.650 3.129 1119 HA THR 586 HA THR 586 62.130 9.095 1.839 1120 HB THR 586 HB THR 586 63.701 10.151 0.487 1121 HG1 THR 586 HG1 THR 586 63.815 11.842 2.632 1122 HG21 THR 586 HG21 THR 586 62.638 12.026 -0.618 1123 HG22 THR 586 HG22 THR 586 61.675 12.383 0.819 1124 HG23 THR 586 HG23 THR 586 61.370 10.911 -0.103 1125 H PHE 587 HN PHE 587 61.745 10.063 4.657 1126 HA PHE 587 HA PHE 587 64.545 10.186 5.626 1127 HB2 PHE 587 HB2 PHE 587 63.743 10.828 7.712 1128 HB3 PHE 587 HB1 PHE 587 62.601 11.567 6.616 1129 HD1 PHE 587 HD1 PHE 587 60.752 9.441 5.884 1130 HD2 PHE 587 HD2 PHE 587 62.638 10.190 9.669 1131 HE1 PHE 587 HE1 PHE 587 58.905 8.266 7.034 1132 HE2 PHE 587 HE2 PHE 587 60.789 9.009 10.819 1133 HZ PHE 587 HZ PHE 587 58.922 8.047 9.502 1134 H LYS 588 HN LYS 588 65.558 8.344 5.645 1135 HA LYS 588 HA LYS 588 64.203 5.846 6.533 1136 HB2 LYS 588 HB2 LYS 588 65.925 6.451 4.377 1137 HB3 LYS 588 HB1 LYS 588 66.947 5.641 5.517 1138 HG2 LYS 588 HG2 LYS 588 65.886 4.126 3.817 1139 HG3 LYS 588 HG1 LYS 588 65.632 3.656 5.484 1140 HD2 LYS 588 HD2 LYS 588 63.645 3.561 3.776 1141 HD3 LYS 588 HD1 LYS 588 63.353 4.125 5.402 1142 HE2 LYS 588 HE2 LYS 588 63.030 6.328 4.707 1143 HE3 LYS 588 HE1 LYS 588 64.069 6.142 3.312 1144 HZ1 LYS 588 HZ1 LYS 588 61.786 4.422 3.256 1145 HZ2 LYS 588 HZ2 LYS 588 62.391 5.461 2.056 1146 HZ3 LYS 588 HZ3 LYS 588 61.375 6.067 3.276 1147 H GLU 589 HN GLU 589 65.642 4.441 7.977 1148 HA GLU 589 HA GLU 589 67.612 5.961 9.571 1149 HB2 GLU 589 HB2 GLU 589 65.771 6.699 10.801 1150 HB3 GLU 589 HB1 GLU 589 64.885 5.194 10.593 1151 HG2 GLU 589 HG2 GLU 589 66.275 4.065 12.188 1152 HG3 GLU 589 HG1 GLU 589 67.445 5.389 12.216 1153 H GLN 590 HN GLN 590 68.728 4.691 11.053 1154 HA GLN 590 HA GLN 590 68.371 1.805 11.151 1155 HB2 GLN 590 HB2 GLN 590 69.774 2.491 8.997 1156 HB3 GLN 590 HB1 GLN 590 71.068 2.731 10.161 1157 HG2 GLN 590 HG2 GLN 590 71.420 0.484 9.722 1158 HG3 GLN 590 HG1 GLN 590 70.236 0.317 11.014 1159 HE21 GLN 590 HE21 GLN 590 70.923 -0.783 7.942 1160 HE22 GLN 590 HE22 GLN 590 69.357 -1.197 7.436 1161 H ASN 591 HN ASN 591 69.501 0.997 12.994 1162 HA ASN 591 HA ASN 591 70.262 1.259 15.188 1163 HB2 ASN 591 HB2 ASN 591 72.493 2.901 14.985 1164 HB3 ASN 591 HB1 ASN 591 72.492 1.172 14.706 1165 HD21 ASN 591 HD21 ASN 591 71.515 0.748 12.295 1166 HD22 ASN 591 HD22 ASN 591 72.289 1.653 11.091 1167 H ASP 592 HN ASP 592 68.338 3.338 14.114 1168 HA ASP 592 HA ASP 592 67.170 5.070 15.209 1169 HB2 ASP 592 HB2 ASP 592 69.506 5.596 17.029 1170 HB3 ASP 592 HB1 ASP 592 67.786 5.827 17.333 1171 H LYS 593 HN LYS 593 70.105 5.264 13.649 1172 HA LYS 593 HA LYS 593 70.414 8.170 13.819 1173 HB2 LYS 593 HB2 LYS 593 71.796 6.153 12.067 1174 HB3 LYS 593 HB1 LYS 593 72.306 7.807 12.369 1175 HG2 LYS 593 HG2 LYS 593 72.226 7.028 14.908 1176 HG3 LYS 593 HG1 LYS 593 72.400 5.426 14.197 1177 HD2 LYS 593 HD2 LYS 593 74.450 6.092 13.067 1178 HD3 LYS 593 HD1 LYS 593 74.254 7.758 13.616 1179 HE2 LYS 593 HE2 LYS 593 74.430 5.450 15.562 1180 HE3 LYS 593 HE1 LYS 593 75.869 6.276 14.965 1181 HZ1 LYS 593 HZ1 LYS 593 75.207 7.310 16.984 1182 HZ2 LYS 593 HZ2 LYS 593 73.601 7.476 16.455 1183 HZ3 LYS 593 HZ3 LYS 593 74.838 8.384 15.725 1184 HA PRO 594 HA PRO 594 67.309 8.547 10.456 1185 HB2 PRO 594 HB2 PRO 594 68.648 11.198 10.194 1186 HB3 PRO 594 HB1 PRO 594 66.929 10.826 10.319 1187 HG2 PRO 594 HG2 PRO 594 68.343 11.888 12.369 1188 HG3 PRO 594 HG1 PRO 594 66.995 10.770 12.637 1189 HD2 PRO 594 HD2 PRO 594 69.918 10.285 12.960 1190 HD3 PRO 594 HD1 PRO 594 68.543 9.453 13.725 1191 H TYR 595 HN TYR 595 67.469 8.912 8.059 1192 HA TYR 595 HA TYR 595 70.075 9.191 6.790 1193 HB2 TYR 595 HB2 TYR 595 68.868 6.453 7.156 1194 HB3 TYR 595 HB1 TYR 595 69.885 6.799 5.769 1195 HD1 TYR 595 HD1 TYR 595 72.158 8.139 6.491 1196 HD2 TYR 595 HD2 TYR 595 69.937 5.389 8.930 1197 HE1 TYR 595 HE1 TYR 595 74.215 7.598 7.773 1198 HE2 TYR 595 HE2 TYR 595 71.989 4.867 10.208 1199 HH TYR 595 HH TYR 595 74.988 5.469 9.205 1200 H CYS 596 HN CYS 596 69.752 9.632 4.562 1201 HA CYS 596 HA CYS 596 66.976 9.670 3.583 1202 HB2 CYS 596 HB2 CYS 596 69.420 9.867 1.808 1203 HB3 CYS 596 HB1 CYS 596 67.824 10.546 1.546 1204 H GLN 597 HN GLN 597 66.255 8.142 1.891 1205 HA GLN 597 HA GLN 597 67.094 5.489 2.388 1206 HB2 GLN 597 HB2 GLN 597 65.007 5.591 1.339 1207 HB3 GLN 597 HB1 GLN 597 65.516 6.838 0.237 1208 HG2 GLN 597 HG2 GLN 597 65.392 5.030 -1.222 1209 HG3 GLN 597 HG1 GLN 597 67.066 4.899 -0.720 1210 HE21 GLN 597 HE21 GLN 597 66.366 3.968 1.999 1211 HE22 GLN 597 HE22 GLN 597 65.849 2.380 1.829 1212 H ASN 598 HN ASN 598 67.842 7.553 -0.414 1213 HA ASN 598 HA ASN 598 69.731 5.991 -1.703 1214 HB2 ASN 598 HB2 ASN 598 70.359 8.903 -1.319 1215 HB3 ASN 598 HB1 ASN 598 70.409 7.937 -2.787 1216 HD21 ASN 598 HD21 ASN 598 67.989 6.894 -3.100 1217 HD22 ASN 598 HD22 ASN 598 66.773 8.071 -3.116 1218 H CYS 599 HN CYS 599 70.074 7.691 1.336 1219 HA CYS 599 HA CYS 599 72.968 7.185 1.444 1220 HB2 CYS 599 HB2 CYS 599 71.030 8.196 3.550 1221 HB3 CYS 599 HB1 CYS 599 72.783 8.161 3.705 1222 H PHE 600 HN PHE 600 70.274 6.305 3.631 1223 HA PHE 600 HA PHE 600 71.447 4.266 5.084 1224 HB2 PHE 600 HB2 PHE 600 69.292 4.589 5.831 1225 HB3 PHE 600 HB1 PHE 600 68.699 4.950 4.219 1226 HD1 PHE 600 HD1 PHE 600 69.227 2.344 6.737 1227 HD2 PHE 600 HD2 PHE 600 67.997 3.129 2.707 1228 HE1 PHE 600 HE1 PHE 600 68.209 0.088 6.612 1229 HE2 PHE 600 HE2 PHE 600 66.982 0.872 2.573 1230 HZ PHE 600 HZ PHE 600 67.087 -0.650 4.527 1231 H LEU 601 HN LEU 601 69.633 3.781 2.063 1232 HA LEU 601 HA LEU 601 70.134 1.056 1.761 1233 HB2 LEU 601 HB2 LEU 601 68.956 1.387 -0.157 1234 HB3 LEU 601 HB1 LEU 601 68.910 3.083 0.294 1235 HG LEU 601 HG LEU 601 71.067 3.395 -1.009 1236 HD11 LEU 601 HD11 LEU 601 70.969 1.289 -2.850 1237 HD12 LEU 601 HD12 LEU 601 70.764 0.479 -1.305 1238 HD13 LEU 601 HD13 LEU 601 72.175 1.488 -1.589 1239 HD21 LEU 601 HD21 LEU 601 68.770 3.895 -1.883 1240 HD22 LEU 601 HD22 LEU 601 68.740 2.287 -2.597 1241 HD23 LEU 601 HD23 LEU 601 69.921 3.474 -3.147 1242 H LYS 602 HN LYS 602 72.189 3.785 0.739 1243 HA LYS 602 HA LYS 602 74.136 2.107 -0.499 1244 HB2 LYS 602 HB2 LYS 602 73.823 4.783 -0.402 1245 HB3 LYS 602 HB1 LYS 602 75.076 4.643 0.796 1246 HG2 LYS 602 HG2 LYS 602 75.522 3.180 -1.779 1247 HG3 LYS 602 HG1 LYS 602 75.594 4.932 -1.849 1248 HD2 LYS 602 HD2 LYS 602 77.383 5.038 -0.333 1249 HD3 LYS 602 HD1 LYS 602 77.095 3.402 0.251 1250 HE2 LYS 602 HE2 LYS 602 77.998 2.421 -1.696 1251 HE3 LYS 602 HE1 LYS 602 77.838 3.916 -2.616 1252 HZ1 LYS 602 HZ1 LYS 602 80.101 3.722 -2.075 1253 HZ2 LYS 602 HZ2 LYS 602 79.773 3.305 -0.461 1254 HZ3 LYS 602 HZ3 LYS 602 79.486 4.888 -1.009 1255 H LEU 603 HN LEU 603 73.516 2.673 2.888 1256 HA LEU 603 HA LEU 603 76.245 1.822 3.650 1257 HB2 LEU 603 HB2 LEU 603 74.104 2.036 5.722 1258 HB3 LEU 603 HB1 LEU 603 75.789 2.541 5.786 1259 HG LEU 603 HG LEU 603 73.579 3.906 4.260 1260 HD11 LEU 603 HD11 LEU 603 75.171 5.001 6.568 1261 HD12 LEU 603 HD12 LEU 603 73.675 4.099 6.819 1262 HD13 LEU 603 HD13 LEU 603 73.654 5.605 5.902 1263 HD21 LEU 603 HD21 LEU 603 75.434 5.708 4.065 1264 HD22 LEU 603 HD22 LEU 603 75.550 4.305 3.013 1265 HD23 LEU 603 HD23 LEU 603 76.547 4.398 4.458 1266 H PHE 604 HN PHE 604 72.956 0.571 4.383 1267 HA PHE 604 HA PHE 604 74.207 -2.052 5.056 1268 HB2 PHE 604 HB2 PHE 604 71.297 -1.497 5.526 1269 HB3 PHE 604 HB1 PHE 604 72.447 -2.399 6.516 1270 HD1 PHE 604 HD1 PHE 604 74.078 -1.188 7.968 1271 HD2 PHE 604 HD2 PHE 604 71.071 0.890 5.715 1272 HE1 PHE 604 HE1 PHE 604 74.456 0.843 9.336 1273 HE2 PHE 604 HE2 PHE 604 71.452 2.923 7.085 1274 HZ PHE 604 HZ PHE 604 73.140 2.898 8.894 1275 H CYS 605 HN CYS 605 73.736 -1.268 2.186 1276 HA CYS 605 HA CYS 605 71.539 -3.119 1.410 1277 HB2 CYS 605 HB2 CYS 605 71.545 -1.199 0.036 1278 HB3 CYS 605 HB1 CYS 605 73.303 -1.207 -0.127 1279 HG CYS 605 HG CYS 605 72.050 -3.716 -1.316 Start of MODEL 5 1 H MET 1 HT1 MET 1 92.374 -17.966 6.620 2 HA MET 1 HA MET 1 91.831 -20.297 7.804 3 HB2 MET 1 HB2 MET 1 93.865 -19.223 6.381 4 HB3 MET 1 HB1 MET 1 94.675 -19.455 7.930 5 HG2 MET 1 HG2 MET 1 94.967 -21.511 6.852 6 HG3 MET 1 HG1 MET 1 93.596 -21.832 7.879 7 HE1 MET 1 HE1 MET 1 93.572 -23.960 6.030 8 HE2 MET 1 HE2 MET 1 94.816 -23.136 5.094 9 HE3 MET 1 HE3 MET 1 93.342 -23.683 4.298 10 H ALA 2 HN ALA 2 94.338 -20.562 9.457 11 HA ALA 2 HA ALA 2 93.650 -19.101 11.939 12 HB1 ALA 2 HB1 ALA 2 93.314 -21.078 13.256 13 HB2 ALA 2 HB2 ALA 2 93.798 -22.123 11.920 14 HB3 ALA 2 HB3 ALA 2 92.269 -21.245 11.844 15 H LEU 3 HN LEU 3 95.616 -21.672 10.486 16 HA LEU 3 HA LEU 3 97.812 -21.778 12.165 17 HB2 LEU 3 HB2 LEU 3 97.621 -21.789 9.151 18 HB3 LEU 3 HB1 LEU 3 99.150 -22.074 9.976 19 HG LEU 3 HG LEU 3 96.615 -23.654 10.499 20 HD11 LEU 3 HD11 LEU 3 97.828 -25.461 9.206 21 HD12 LEU 3 HD12 LEU 3 98.981 -24.226 8.698 22 HD13 LEU 3 HD13 LEU 3 97.285 -24.095 8.232 23 HD21 LEU 3 HD21 LEU 3 97.891 -24.063 12.380 24 HD22 LEU 3 HD22 LEU 3 99.416 -23.719 11.568 25 HD23 LEU 3 HD23 LEU 3 98.611 -25.267 11.317 26 H ASP 4 HN ASP 4 98.027 -19.964 9.213 27 HA ASP 4 HA ASP 4 99.024 -17.983 8.643 28 HB2 ASP 4 HB2 ASP 4 97.350 -16.894 9.953 29 HB3 ASP 4 HB1 ASP 4 98.168 -17.312 11.450 30 H GLY 5 HN GLY 5 100.267 -20.021 10.942 31 HA2 GLY 5 HA2 GLY 5 102.737 -20.386 10.771 32 HA3 GLY 5 HA1 GLY 5 102.909 -18.637 10.867 33 H ILE 6 HN ILE 6 100.485 -18.954 12.759 34 HA ILE 6 HA ILE 6 102.099 -19.499 15.229 35 HB ILE 6 HB ILE 6 100.031 -17.871 16.066 36 HG12 ILE 6 HG12 ILE 6 99.455 -17.705 13.532 37 HG13 ILE 6 HG11 ILE 6 99.512 -16.227 14.465 38 HG21 ILE 6 HG21 ILE 6 102.796 -17.197 15.100 39 HG22 ILE 6 HG22 ILE 6 102.229 -17.399 16.758 40 HG23 ILE 6 HG23 ILE 6 101.738 -15.985 15.825 41 HD11 ILE 6 HD11 ILE 6 102.095 -17.012 13.222 42 HD12 ILE 6 HD12 ILE 6 101.327 -15.431 13.332 43 HD13 ILE 6 HD13 ILE 6 100.810 -16.577 12.100 44 H ARG 7 HN ARG 7 98.740 -18.965 15.785 45 HA ARG 7 HA ARG 7 97.959 -21.733 15.388 46 HB2 ARG 7 HB2 ARG 7 97.500 -22.046 17.871 47 HB3 ARG 7 HB1 ARG 7 99.172 -22.138 17.355 48 HG2 ARG 7 HG2 ARG 7 98.292 -19.410 18.119 49 HG3 ARG 7 HG1 ARG 7 98.293 -20.583 19.439 50 HD2 ARG 7 HD2 ARG 7 100.647 -21.152 18.884 51 HD3 ARG 7 HD1 ARG 7 100.619 -19.908 17.640 52 HE ARG 7 HE ARG 7 99.812 -18.762 20.134 53 HH11 ARG 7 HH11 ARG 7 101.305 -17.473 21.234 54 HH12 ARG 7 HH12 ARG 7 102.990 -17.611 20.860 55 HH21 ARG 7 HH21 ARG 7 102.525 -20.053 18.442 56 HH22 ARG 7 HH22 ARG 7 103.682 -19.074 19.280 57 H MET 8 HN MET 8 96.626 -19.910 18.105 58 HA MET 8 HA MET 8 94.341 -19.088 16.352 59 HB2 MET 8 HB2 MET 8 93.407 -19.885 19.015 60 HB3 MET 8 HB1 MET 8 92.831 -20.368 17.432 61 HG2 MET 8 HG2 MET 8 94.835 -21.912 17.267 62 HG3 MET 8 HG1 MET 8 95.139 -21.589 18.967 63 HE1 MET 8 HE1 MET 8 92.581 -23.345 20.943 64 HE2 MET 8 HE2 MET 8 93.168 -21.694 20.756 65 HE3 MET 8 HE3 MET 8 94.311 -23.035 20.739 66 HA PRO 9 HA PRO 9 94.219 -16.100 20.204 67 HB2 PRO 9 HB2 PRO 9 97.063 -16.465 21.108 68 HB3 PRO 9 HB1 PRO 9 95.618 -16.081 22.073 69 HG2 PRO 9 HG2 PRO 9 96.565 -18.506 22.151 70 HG3 PRO 9 HG1 PRO 9 94.817 -18.265 21.935 71 HD2 PRO 9 HD2 PRO 9 96.867 -18.907 19.839 72 HD3 PRO 9 HD1 PRO 9 95.299 -19.663 20.117 73 H ASP 10 HN ASP 10 97.021 -16.787 18.291 74 HA ASP 10 HA ASP 10 97.239 -13.911 17.462 75 HB2 ASP 10 HB2 ASP 10 99.234 -14.939 18.715 76 HB3 ASP 10 HB1 ASP 10 99.457 -15.960 17.297 77 H GLY 11 HN GLY 11 97.005 -17.255 16.576 78 HA2 GLY 11 HA2 GLY 11 97.370 -16.745 13.710 79 HA3 GLY 11 HA1 GLY 11 96.939 -18.285 14.451 80 H CYS 12 HN CYS 12 94.950 -16.023 15.802 81 HA CYS 12 HA CYS 12 92.987 -15.815 13.636 82 HB2 CYS 12 HB2 CYS 12 92.462 -18.064 14.306 83 HB3 CYS 12 HB1 CYS 12 92.533 -17.633 16.014 84 HG CYS 12 HG CYS 12 90.212 -16.907 14.081 85 H TYR 13 HN TYR 13 93.789 -15.411 17.051 86 HA TYR 13 HA TYR 13 93.476 -13.546 18.426 87 HB2 TYR 13 HB2 TYR 13 93.361 -12.391 15.970 88 HB3 TYR 13 HB1 TYR 13 91.697 -12.130 16.473 89 HD1 TYR 13 HD1 TYR 13 95.130 -11.068 16.844 90 HD2 TYR 13 HD2 TYR 13 91.265 -10.983 18.717 91 HE1 TYR 13 HE1 TYR 13 95.862 -9.175 18.269 92 HE2 TYR 13 HE2 TYR 13 91.997 -9.089 20.141 93 HH TYR 13 HH TYR 13 95.270 -8.154 20.410 94 H ALA 14 HN ALA 14 90.847 -14.895 16.556 95 HA ALA 14 HA ALA 14 89.301 -15.746 18.714 96 HB1 ALA 14 HB1 ALA 14 87.478 -13.786 18.396 97 HB2 ALA 14 HB2 ALA 14 88.938 -12.865 18.031 98 HB3 ALA 14 HB3 ALA 14 88.771 -13.667 19.590 99 H ASP 15 HN ASP 15 89.058 -14.148 15.558 100 HA ASP 15 HA ASP 15 87.693 -16.508 14.498 101 HB2 ASP 15 HB2 ASP 15 85.913 -15.058 15.605 102 HB3 ASP 15 HB1 ASP 15 86.257 -13.861 14.356 103 H GLY 16 HN GLY 16 89.904 -14.231 14.117 104 HA2 GLY 16 HA2 GLY 16 91.194 -14.011 12.064 105 HA3 GLY 16 HA1 GLY 16 89.713 -14.276 11.137 106 H THR 17 HN THR 17 90.121 -12.137 13.912 107 HA THR 17 HA THR 17 88.859 -9.952 12.487 108 HB THR 17 HB THR 17 89.765 -8.722 14.694 109 HG1 THR 17 HG1 THR 17 89.740 -11.447 15.449 110 HG21 THR 17 HG21 THR 17 87.803 -9.856 15.942 111 HG22 THR 17 HG22 THR 17 87.538 -10.734 14.436 112 HG23 THR 17 HG23 THR 17 87.442 -8.972 14.460 113 H TRP 18 HN TRP 18 89.846 -8.606 11.176 114 HA TRP 18 HA TRP 18 92.723 -7.917 11.576 115 HB2 TRP 18 HB2 TRP 18 92.429 -7.774 8.844 116 HB3 TRP 18 HB1 TRP 18 93.120 -9.152 9.685 117 HD1 TRP 18 HD1 TRP 18 89.550 -7.957 8.739 118 HE1 TRP 18 HE1 TRP 18 88.210 -10.018 7.966 119 HE3 TRP 18 HE3 TRP 18 93.074 -11.596 9.388 120 HZ2 TRP 18 HZ2 TRP 18 88.583 -12.836 7.660 121 HZ3 TRP 18 HZ3 TRP 18 92.556 -13.957 8.847 122 HH2 TRP 18 HH2 TRP 18 90.316 -14.582 7.985 123 H GLU 19 HN GLU 19 92.904 -5.719 11.749 124 HA GLU 19 HA GLU 19 90.574 -4.070 11.158 125 HB2 GLU 19 HB2 GLU 19 92.655 -2.267 11.667 126 HB3 GLU 19 HB1 GLU 19 91.514 -2.880 12.856 127 HG2 GLU 19 HG2 GLU 19 93.869 -3.177 13.551 128 HG3 GLU 19 HG1 GLU 19 92.999 -4.705 13.407 129 H LEU 20 HN LEU 20 90.161 -3.007 9.328 130 HA LEU 20 HA LEU 20 92.086 -3.247 7.127 131 HB2 LEU 20 HB2 LEU 20 89.253 -3.045 7.346 132 HB3 LEU 20 HB1 LEU 20 89.759 -1.581 6.516 133 HG LEU 20 HG LEU 20 89.323 -3.261 4.849 134 HD11 LEU 20 HD11 LEU 20 92.292 -3.470 4.856 135 HD12 LEU 20 HD12 LEU 20 91.623 -1.840 4.914 136 HD13 LEU 20 HD13 LEU 20 91.191 -2.924 3.594 137 HD21 LEU 20 HD21 LEU 20 91.432 -5.112 5.948 138 HD22 LEU 20 HD22 LEU 20 90.057 -5.480 4.918 139 HD23 LEU 20 HD23 LEU 20 89.806 -5.168 6.629 140 H SER 21 HN SER 21 93.388 -1.610 6.440 141 HA SER 21 HA SER 21 93.586 0.759 8.129 142 HB2 SER 21 HB2 SER 21 95.462 -0.595 6.829 143 HB3 SER 21 HB1 SER 21 95.053 0.522 5.528 144 HG SER 21 HG SER 21 96.704 1.065 7.327 145 H VAL 22 HN VAL 22 93.159 2.862 7.559 146 HA VAL 22 HA VAL 22 91.861 3.343 4.927 147 HB VAL 22 HB VAL 22 90.692 3.980 7.639 148 HG11 VAL 22 HG11 VAL 22 90.166 5.309 4.963 149 HG12 VAL 22 HG12 VAL 22 90.541 6.090 6.502 150 HG13 VAL 22 HG13 VAL 22 88.976 5.311 6.268 151 HG21 VAL 22 HG21 VAL 22 88.701 2.962 6.600 152 HG22 VAL 22 HG22 VAL 22 90.081 1.863 6.501 153 HG23 VAL 22 HG23 VAL 22 89.584 2.791 5.079 154 H HIS 23 HN HIS 23 93.460 4.550 4.091 155 HA HIS 23 HA HIS 23 94.878 6.603 5.612 156 HB2 HIS 23 HB2 HIS 23 94.787 5.664 2.763 157 HB3 HIS 23 HB1 HIS 23 95.619 7.166 3.158 158 HD1 HIS 23 HD1 HIS 23 98.058 6.635 3.224 159 HD2 HIS 23 HD2 HIS 23 95.794 3.641 5.038 160 HE1 HIS 23 HE1 HIS 23 99.708 4.953 4.152 161 H VAL 24 HN VAL 24 93.496 8.312 6.252 162 HA VAL 24 HA VAL 24 91.364 9.150 4.462 163 HB VAL 24 HB VAL 24 92.475 10.782 6.748 164 HG11 VAL 24 HG11 VAL 24 89.796 10.505 5.370 165 HG12 VAL 24 HG12 VAL 24 90.814 11.929 5.438 166 HG13 VAL 24 HG13 VAL 24 89.994 11.360 6.895 167 HG21 VAL 24 HG21 VAL 24 90.813 9.557 8.177 168 HG22 VAL 24 HG22 VAL 24 92.145 8.539 7.629 169 HG23 VAL 24 HG23 VAL 24 90.570 8.424 6.849 170 H THR 25 HN THR 25 91.710 10.315 2.665 171 HA THR 25 HA THR 25 94.255 11.754 2.338 172 HB THR 25 HB THR 25 93.814 11.682 0.072 173 HG1 THR 25 HG1 THR 25 92.016 12.434 -0.725 174 HG21 THR 25 HG21 THR 25 93.414 9.366 1.080 175 HG22 THR 25 HG22 THR 25 92.721 9.635 -0.519 176 HG23 THR 25 HG23 THR 25 91.691 9.696 0.910 177 H ASP 26 HN ASP 26 90.950 12.505 3.153 178 HA ASP 26 HA ASP 26 91.212 15.356 2.509 179 HB2 ASP 26 HB2 ASP 26 89.140 14.271 4.413 180 HB3 ASP 26 HB1 ASP 26 88.993 15.570 3.229 181 H LEU 27 HN LEU 27 92.341 13.318 4.905 182 HA LEU 27 HA LEU 27 92.826 15.609 6.784 183 HB2 LEU 27 HB2 LEU 27 91.729 12.885 7.274 184 HB3 LEU 27 HB1 LEU 27 92.879 13.443 8.456 185 HG LEU 27 HG LEU 27 90.590 15.216 7.605 186 HD11 LEU 27 HD11 LEU 27 89.379 14.270 9.644 187 HD12 LEU 27 HD12 LEU 27 90.526 12.930 9.588 188 HD13 LEU 27 HD13 LEU 27 89.435 13.214 8.231 189 HD21 LEU 27 HD21 LEU 27 90.978 16.279 9.694 190 HD22 LEU 27 HD22 LEU 27 92.590 15.947 9.056 191 HD23 LEU 27 HD23 LEU 27 91.909 14.911 10.308 192 H ASN 28 HN ASN 28 93.959 12.815 5.109 193 HA ASN 28 HA ASN 28 96.142 12.139 4.593 194 HB2 ASN 28 HB2 ASN 28 96.669 14.665 4.928 195 HB3 ASN 28 HB1 ASN 28 97.274 14.186 6.509 196 HD21 ASN 28 HD21 ASN 28 97.985 11.479 5.245 197 HD22 ASN 28 HD22 ASN 28 99.459 11.772 4.466 198 H ARG 29 HN ARG 29 94.489 11.650 7.249 199 HA ARG 29 HA ARG 29 96.669 10.571 8.924 200 HB2 ARG 29 HB2 ARG 29 93.674 10.666 9.315 201 HB3 ARG 29 HB1 ARG 29 94.829 10.049 10.497 202 HG2 ARG 29 HG2 ARG 29 95.895 12.213 10.673 203 HG3 ARG 29 HG1 ARG 29 94.904 12.854 9.373 204 HD2 ARG 29 HD2 ARG 29 93.713 13.619 11.227 205 HD3 ARG 29 HD1 ARG 29 92.904 12.075 10.939 206 HE ARG 29 HE ARG 29 95.161 11.767 12.728 207 HH11 ARG 29 HH11 ARG 29 94.667 11.362 14.900 208 HH12 ARG 29 HH12 ARG 29 93.071 11.691 15.485 209 HH21 ARG 29 HH21 ARG 29 91.897 12.829 12.428 210 HH22 ARG 29 HH22 ARG 29 91.502 12.520 14.086 211 H ASP 30 HN ASP 30 95.815 8.387 9.948 212 HA ASP 30 HA ASP 30 94.781 6.576 7.846 213 HB2 ASP 30 HB2 ASP 30 97.255 6.052 9.511 214 HB3 ASP 30 HB1 ASP 30 96.487 4.907 8.411 215 H VAL 31 HN VAL 31 93.014 5.778 8.690 216 HA VAL 31 HA VAL 31 92.941 5.188 11.631 217 HB VAL 31 HB VAL 31 90.610 5.424 9.710 218 HG11 VAL 31 HG11 VAL 31 90.887 5.374 12.729 219 HG12 VAL 31 HG12 VAL 31 90.117 4.153 11.716 220 HG13 VAL 31 HG13 VAL 31 89.387 5.751 11.882 221 HG21 VAL 31 HG21 VAL 31 91.820 7.578 9.822 222 HG22 VAL 31 HG22 VAL 31 91.820 7.501 11.584 223 HG23 VAL 31 HG23 VAL 31 90.301 7.692 10.710 224 H THR 32 HN THR 32 91.918 3.192 12.262 225 HA THR 32 HA THR 32 91.854 1.087 10.143 226 HB THR 32 HB THR 32 92.811 -0.097 12.587 227 HG1 THR 32 HG1 THR 32 94.819 1.183 12.631 228 HG21 THR 32 HG21 THR 32 94.611 -0.849 11.262 229 HG22 THR 32 HG22 THR 32 94.552 0.572 10.219 230 HG23 THR 32 HG23 THR 32 93.295 -0.660 10.103 231 H LEU 33 HN LEU 33 90.206 -0.385 10.403 232 HA LEU 33 HA LEU 33 88.410 -0.046 12.774 233 HB2 LEU 33 HB2 LEU 33 87.934 -0.171 9.837 234 HB3 LEU 33 HB1 LEU 33 86.765 -1.016 10.830 235 HG LEU 33 HG LEU 33 86.237 1.414 10.236 236 HD11 LEU 33 HD11 LEU 33 85.204 1.830 12.355 237 HD12 LEU 33 HD12 LEU 33 86.351 0.789 13.185 238 HD13 LEU 33 HD13 LEU 33 85.176 0.090 12.083 239 HD21 LEU 33 HD21 LEU 33 88.112 2.129 12.494 240 HD22 LEU 33 HD22 LEU 33 87.347 3.175 11.314 241 HD23 LEU 33 HD23 LEU 33 88.669 2.124 10.818 242 H ARG 34 HN ARG 34 88.638 -1.801 14.019 243 HA ARG 34 HA ARG 34 89.633 -4.328 13.194 244 HB2 ARG 34 HB2 ARG 34 89.499 -3.459 15.576 245 HB3 ARG 34 HB1 ARG 34 87.775 -3.812 15.523 246 HG2 ARG 34 HG2 ARG 34 88.807 -5.733 16.512 247 HG3 ARG 34 HG1 ARG 34 88.380 -6.185 14.865 248 HD2 ARG 34 HD2 ARG 34 90.591 -6.188 14.143 249 HD3 ARG 34 HD1 ARG 34 91.123 -5.071 15.399 250 HE ARG 34 HE ARG 34 90.348 -7.311 16.817 251 HH11 ARG 34 HH11 ARG 34 91.754 -9.021 17.280 252 HH12 ARG 34 HH12 ARG 34 93.123 -9.300 16.256 253 HH21 ARG 34 HH21 ARG 34 92.403 -6.658 14.128 254 HH22 ARG 34 HH22 ARG 34 93.489 -7.964 14.470 255 H VAL 35 HN VAL 35 88.599 -5.413 11.591 256 HA VAL 35 HA VAL 35 85.677 -5.971 11.932 257 HB VAL 35 HB VAL 35 85.508 -5.840 9.430 258 HG11 VAL 35 HG11 VAL 35 86.251 -3.400 11.053 259 HG12 VAL 35 HG12 VAL 35 84.633 -3.997 10.670 260 HG13 VAL 35 HG13 VAL 35 85.632 -3.284 9.404 261 HG21 VAL 35 HG21 VAL 35 87.844 -6.068 8.833 262 HG22 VAL 35 HG22 VAL 35 88.262 -4.621 9.746 263 HG23 VAL 35 HG23 VAL 35 87.283 -4.489 8.288 264 H THR 36 HN THR 36 85.269 -7.594 9.836 265 HA THR 36 HA THR 36 87.372 -9.695 9.852 266 HB THR 36 HB THR 36 85.357 -11.353 10.140 267 HG1 THR 36 HG1 THR 36 83.965 -10.119 11.806 268 HG21 THR 36 HG21 THR 36 86.551 -9.734 12.386 269 HG22 THR 36 HG22 THR 36 87.100 -11.294 11.770 270 HG23 THR 36 HG23 THR 36 85.577 -11.179 12.650 271 H GLY 37 HN GLY 37 86.589 -11.441 8.174 272 HA2 GLY 37 HA2 GLY 37 85.923 -9.975 5.755 273 HA3 GLY 37 HA1 GLY 37 86.292 -11.690 5.840 274 H GLU 38 HN GLU 38 83.845 -9.790 7.548 275 HA GLU 38 HA GLU 38 81.689 -11.169 6.053 276 HB2 GLU 38 HB2 GLU 38 80.614 -11.982 8.018 277 HB3 GLU 38 HB1 GLU 38 82.292 -12.495 8.137 278 HG2 GLU 38 HG2 GLU 38 82.062 -11.595 10.264 279 HG3 GLU 38 HG1 GLU 38 82.522 -10.128 9.400 280 H VAL 39 HN VAL 39 83.009 -8.358 7.145 281 HA VAL 39 HA VAL 39 80.489 -7.081 7.972 282 HB VAL 39 HB VAL 39 81.783 -5.202 8.540 283 HG11 VAL 39 HG11 VAL 39 82.198 -7.432 9.777 284 HG12 VAL 39 HG12 VAL 39 83.332 -6.114 10.052 285 HG13 VAL 39 HG13 VAL 39 83.757 -7.431 8.954 286 HG21 VAL 39 HG21 VAL 39 84.191 -4.990 7.805 287 HG22 VAL 39 HG22 VAL 39 83.031 -4.829 6.500 288 HG23 VAL 39 HG23 VAL 39 83.915 -6.343 6.713 289 H HIS 40 HN HIS 40 79.248 -5.808 6.659 290 HA HIS 40 HA HIS 40 79.838 -5.826 3.790 291 HB2 HIS 40 HB2 HIS 40 77.643 -4.144 4.980 292 HB3 HIS 40 HB1 HIS 40 77.652 -5.081 3.485 293 HD1 HIS 40 HD1 HIS 40 77.553 -7.753 3.789 294 HD2 HIS 40 HD2 HIS 40 76.633 -5.516 7.184 295 HE1 HIS 40 HE1 HIS 40 76.397 -9.333 5.396 296 H ILE 41 HN ILE 41 80.316 -3.953 2.523 297 HA ILE 41 HA ILE 41 82.154 -2.096 3.500 298 HB ILE 41 HB ILE 41 80.094 -1.461 1.375 299 HG12 ILE 41 HG12 ILE 41 82.719 -2.967 1.146 300 HG13 ILE 41 HG11 ILE 41 81.106 -3.650 0.956 301 HG21 ILE 41 HG21 ILE 41 81.828 -0.016 0.464 302 HG22 ILE 41 HG22 ILE 41 82.968 -0.554 1.700 303 HG23 ILE 41 HG23 ILE 41 81.560 0.409 2.159 304 HD11 ILE 41 HD11 ILE 41 82.698 -2.064 -0.945 305 HD12 ILE 41 HD12 ILE 41 81.010 -1.564 -0.829 306 HD13 ILE 41 HD13 ILE 41 81.416 -3.227 -1.247 307 H GLY 42 HN GLY 42 78.703 -1.439 2.946 308 HA2 GLY 42 HA2 GLY 42 78.614 1.081 4.135 309 HA3 GLY 42 HA1 GLY 42 77.235 -0.006 4.075 310 H GLY 43 HN GLY 43 79.248 -1.904 5.505 311 HA2 GLY 43 HA2 GLY 43 78.286 -1.268 8.206 312 HA3 GLY 43 HA1 GLY 43 79.236 -2.679 7.736 313 H VAL 44 HN VAL 44 81.218 -0.933 6.338 314 HA VAL 44 HA VAL 44 82.914 -0.423 8.672 315 HB VAL 44 HB VAL 44 83.266 -0.375 5.672 316 HG11 VAL 44 HG11 VAL 44 85.697 0.315 6.159 317 HG12 VAL 44 HG12 VAL 44 85.110 0.884 7.722 318 HG13 VAL 44 HG13 VAL 44 84.491 1.600 6.234 319 HG21 VAL 44 HG21 VAL 44 84.973 -1.669 7.809 320 HG22 VAL 44 HG22 VAL 44 84.870 -2.083 6.097 321 HG23 VAL 44 HG23 VAL 44 83.519 -2.439 7.172 322 H MET 45 HN MET 45 81.738 1.640 5.938 323 HA MET 45 HA MET 45 82.692 4.084 6.920 324 HB2 MET 45 HB2 MET 45 80.460 5.012 5.849 325 HB3 MET 45 HB1 MET 45 81.703 4.311 4.827 326 HG2 MET 45 HG2 MET 45 80.177 2.823 4.044 327 HG3 MET 45 HG1 MET 45 80.031 2.130 5.641 328 HE1 MET 45 HE1 MET 45 77.495 2.704 3.174 329 HE2 MET 45 HE2 MET 45 78.659 3.991 2.870 330 HE3 MET 45 HE3 MET 45 77.002 4.394 3.318 331 H LEU 46 HN LEU 46 79.746 2.326 7.866 332 HA LEU 46 HA LEU 46 78.608 4.283 9.572 333 HB2 LEU 46 HB2 LEU 46 77.628 2.031 8.947 334 HB3 LEU 46 HB1 LEU 46 78.710 1.300 10.126 335 HG LEU 46 HG LEU 46 77.094 3.595 11.162 336 HD11 LEU 46 HD11 LEU 46 75.828 1.061 10.132 337 HD12 LEU 46 HD12 LEU 46 75.273 2.728 9.979 338 HD13 LEU 46 HD13 LEU 46 75.146 1.899 11.528 339 HD21 LEU 46 HD21 LEU 46 78.592 2.166 12.573 340 HD22 LEU 46 HD22 LEU 46 77.562 0.781 12.211 341 HD23 LEU 46 HD23 LEU 46 76.916 2.146 13.122 342 H LYS 47 HN LYS 47 80.795 1.619 10.570 343 HA LYS 47 HA LYS 47 81.222 2.549 13.219 344 HB2 LYS 47 HB2 LYS 47 83.195 1.069 11.470 345 HB3 LYS 47 HB1 LYS 47 83.166 1.085 13.234 346 HG2 LYS 47 HG2 LYS 47 81.015 -0.061 13.239 347 HG3 LYS 47 HG1 LYS 47 80.942 0.030 11.479 348 HD2 LYS 47 HD2 LYS 47 83.025 -1.320 11.341 349 HD3 LYS 47 HD1 LYS 47 83.013 -1.475 13.098 350 HE2 LYS 47 HE2 LYS 47 80.654 -2.310 11.405 351 HE3 LYS 47 HE1 LYS 47 81.983 -3.414 11.767 352 HZ1 LYS 47 HZ1 LYS 47 80.356 -1.974 13.795 353 HZ2 LYS 47 HZ2 LYS 47 81.592 -3.096 14.112 354 HZ3 LYS 47 HZ3 LYS 47 80.153 -3.602 13.362 355 H LEU 48 HN LEU 48 83.442 2.904 10.434 356 HA LEU 48 HA LEU 48 85.406 4.456 11.577 357 HB2 LEU 48 HB2 LEU 48 85.497 3.677 9.256 358 HB3 LEU 48 HB1 LEU 48 84.176 4.748 8.814 359 HG LEU 48 HG LEU 48 85.684 6.701 9.472 360 HD11 LEU 48 HD11 LEU 48 88.116 6.207 9.473 361 HD12 LEU 48 HD12 LEU 48 87.746 4.485 9.476 362 HD13 LEU 48 HD13 LEU 48 87.300 5.486 10.859 363 HD21 LEU 48 HD21 LEU 48 86.439 4.789 7.256 364 HD22 LEU 48 HD22 LEU 48 87.114 6.415 7.391 365 HD23 LEU 48 HD23 LEU 48 85.379 6.196 7.147 366 H VAL 49 HN VAL 49 82.265 5.669 10.387 367 HA VAL 49 HA VAL 49 82.919 8.424 11.066 368 HB VAL 49 HB VAL 49 80.235 7.116 10.563 369 HG11 VAL 49 HG11 VAL 49 79.810 9.080 11.824 370 HG12 VAL 49 HG12 VAL 49 79.570 9.558 10.143 371 HG13 VAL 49 HG13 VAL 49 81.063 9.990 10.978 372 HG21 VAL 49 HG21 VAL 49 82.387 8.039 8.789 373 HG22 VAL 49 HG22 VAL 49 80.882 8.892 8.464 374 HG23 VAL 49 HG23 VAL 49 80.931 7.136 8.383 375 H GLU 50 HN GLU 50 81.016 5.835 12.630 376 HA GLU 50 HA GLU 50 79.955 7.201 14.807 377 HB2 GLU 50 HB2 GLU 50 81.172 4.441 14.620 378 HB3 GLU 50 HB1 GLU 50 80.473 5.030 16.126 379 HG2 GLU 50 HG2 GLU 50 78.970 5.022 13.492 380 HG3 GLU 50 HG1 GLU 50 78.878 3.714 14.671 381 H LYS 51 HN LYS 51 83.294 6.129 14.344 382 HA LYS 51 HA LYS 51 84.240 6.920 16.943 383 HB2 LYS 51 HB2 LYS 51 85.690 6.646 14.292 384 HB3 LYS 51 HB1 LYS 51 86.474 6.801 15.865 385 HG2 LYS 51 HG2 LYS 51 85.546 4.738 16.633 386 HG3 LYS 51 HG1 LYS 51 84.469 4.628 15.247 387 HD2 LYS 51 HD2 LYS 51 86.307 4.283 13.739 388 HD3 LYS 51 HD1 LYS 51 87.474 4.584 15.027 389 HE2 LYS 51 HE2 LYS 51 87.258 2.187 14.772 390 HE3 LYS 51 HE1 LYS 51 86.485 2.663 16.277 391 HZ1 LYS 51 HZ1 LYS 51 85.264 1.132 14.552 392 HZ2 LYS 51 HZ2 LYS 51 84.828 2.633 13.885 393 HZ3 LYS 51 HZ3 LYS 51 84.423 2.265 15.491 394 H LEU 52 HN LEU 52 84.621 8.514 13.747 395 HA LEU 52 HA LEU 52 85.583 10.970 14.844 396 HB2 LEU 52 HB2 LEU 52 84.660 9.897 12.224 397 HB3 LEU 52 HB1 LEU 52 84.592 11.629 12.405 398 HG LEU 52 HG LEU 52 86.716 10.872 11.413 399 HD11 LEU 52 HD11 LEU 52 87.568 11.872 14.098 400 HD12 LEU 52 HD12 LEU 52 86.418 12.864 13.202 401 HD13 LEU 52 HD13 LEU 52 87.977 12.461 12.489 402 HD21 LEU 52 HD21 LEU 52 87.379 9.667 14.104 403 HD22 LEU 52 HD22 LEU 52 88.241 9.474 12.578 404 HD23 LEU 52 HD23 LEU 52 86.673 8.701 12.808 405 H ASP 53 HN ASP 53 82.540 10.336 13.169 406 HA ASP 53 HA ASP 53 80.354 10.969 13.645 407 HB2 ASP 53 HB2 ASP 53 81.368 10.707 16.079 408 HB3 ASP 53 HB1 ASP 53 81.199 12.454 16.077 409 H VAL 54 HN VAL 54 82.909 13.134 14.097 410 HA VAL 54 HA VAL 54 82.316 15.690 14.028 411 HB VAL 54 HB VAL 54 84.446 14.714 13.295 412 HG11 VAL 54 HG11 VAL 54 83.348 14.507 10.504 413 HG12 VAL 54 HG12 VAL 54 83.088 13.171 11.627 414 HG13 VAL 54 HG13 VAL 54 84.731 13.682 11.218 415 HG21 VAL 54 HG21 VAL 54 83.286 16.768 11.370 416 HG22 VAL 54 HG22 VAL 54 85.003 16.437 11.579 417 HG23 VAL 54 HG23 VAL 54 84.069 17.116 12.909 418 H LYS 55 HN LYS 55 80.965 17.149 13.027 419 HA LYS 55 HA LYS 55 78.930 16.164 11.251 420 HB2 LYS 55 HB2 LYS 55 78.540 18.020 12.811 421 HB3 LYS 55 HB1 LYS 55 79.642 19.018 11.869 422 HG2 LYS 55 HG2 LYS 55 78.080 19.421 10.254 423 HG3 LYS 55 HG1 LYS 55 77.611 17.739 10.166 424 HD2 LYS 55 HD2 LYS 55 76.033 17.955 11.893 425 HD3 LYS 55 HD1 LYS 55 76.728 19.435 12.470 426 HE2 LYS 55 HE2 LYS 55 76.037 20.551 10.339 427 HE3 LYS 55 HE1 LYS 55 75.227 19.052 9.879 428 HZ1 LYS 55 HZ1 LYS 55 74.051 19.275 12.112 429 HZ2 LYS 55 HZ2 LYS 55 73.567 20.318 10.861 430 HZ3 LYS 55 HZ3 LYS 55 74.581 20.885 12.101 431 H LYS 56 HN LYS 56 81.565 15.716 10.171 432 HA LYS 56 HA LYS 56 81.871 17.666 7.985 433 HB2 LYS 56 HB2 LYS 56 83.788 16.394 9.131 434 HB3 LYS 56 HB1 LYS 56 83.243 14.974 8.247 435 HG2 LYS 56 HG2 LYS 56 84.024 15.759 6.220 436 HG3 LYS 56 HG1 LYS 56 83.661 17.438 6.599 437 HD2 LYS 56 HD2 LYS 56 86.064 17.200 6.488 438 HD3 LYS 56 HD1 LYS 56 85.626 17.444 8.176 439 HE2 LYS 56 HE2 LYS 56 86.086 14.723 6.916 440 HE3 LYS 56 HE1 LYS 56 87.308 15.607 7.833 441 HZ1 LYS 56 HZ1 LYS 56 86.387 14.340 9.468 442 HZ2 LYS 56 HZ2 LYS 56 84.841 14.327 8.765 443 HZ3 LYS 56 HZ3 LYS 56 85.392 15.708 9.587 444 H ASP 57 HN ASP 57 81.959 16.694 5.669 445 HA ASP 57 HA ASP 57 79.418 15.331 5.202 446 HB2 ASP 57 HB2 ASP 57 81.557 15.947 3.157 447 HB3 ASP 57 HB1 ASP 57 79.827 15.759 2.891 448 H TRP 58 HN TRP 58 79.204 13.142 5.125 449 HA TRP 58 HA TRP 58 81.627 11.473 4.551 450 HB2 TRP 58 HB2 TRP 58 79.248 10.983 6.341 451 HB3 TRP 58 HB1 TRP 58 80.381 9.729 5.881 452 HD1 TRP 58 HD1 TRP 58 80.042 12.808 8.068 453 HE1 TRP 58 HE1 TRP 58 82.061 12.918 9.677 454 HE3 TRP 58 HE3 TRP 58 82.929 9.081 6.110 455 HZ2 TRP 58 HZ2 TRP 58 84.566 11.600 10.066 456 HZ3 TRP 58 HZ3 TRP 58 85.120 8.525 7.122 457 HH2 TRP 58 HH2 TRP 58 85.942 9.779 9.097 458 H SER 59 HN SER 59 78.053 11.520 4.312 459 HA SER 59 HA SER 59 77.602 9.279 2.759 460 HB2 SER 59 HB2 SER 59 75.755 10.708 1.646 461 HB3 SER 59 HB1 SER 59 75.694 10.508 3.391 462 HG SER 59 HG SER 59 76.266 12.742 1.848 463 H ASP 60 HN ASP 60 78.297 12.530 1.400 464 HA ASP 60 HA ASP 60 78.512 11.695 -1.295 465 HB2 ASP 60 HB2 ASP 60 78.501 14.047 -0.836 466 HB3 ASP 60 HB1 ASP 60 79.888 13.913 0.242 467 H HIS 61 HN HIS 61 80.757 11.474 1.391 468 HA HIS 61 HA HIS 61 82.970 10.551 -0.273 469 HB2 HIS 61 HB2 HIS 61 82.682 10.446 2.735 470 HB3 HIS 61 HB1 HIS 61 84.167 10.337 1.807 471 HD1 HIS 61 HD1 HIS 61 85.431 12.466 1.853 472 HD2 HIS 61 HD2 HIS 61 81.318 13.138 1.917 473 HE1 HIS 61 HE1 HIS 61 85.117 14.978 1.903 474 H ALA 62 HN ALA 62 84.049 8.487 0.341 475 HA ALA 62 HA ALA 62 82.539 6.321 1.509 476 HB1 ALA 62 HB1 ALA 62 82.668 6.574 -1.504 477 HB2 ALA 62 HB2 ALA 62 81.255 6.257 -0.497 478 HB3 ALA 62 HB3 ALA 62 82.482 5.009 -0.713 479 H LEU 63 HN LEU 63 83.836 4.145 0.790 480 HA LEU 63 HA LEU 63 86.703 4.874 1.114 481 HB2 LEU 63 HB2 LEU 63 85.359 2.161 1.294 482 HB3 LEU 63 HB1 LEU 63 87.042 2.503 1.664 483 HG LEU 63 HG LEU 63 85.742 2.376 3.709 484 HD11 LEU 63 HD11 LEU 63 87.607 4.150 3.309 485 HD12 LEU 63 HD12 LEU 63 86.599 4.285 4.747 486 HD13 LEU 63 HD13 LEU 63 86.280 5.313 3.352 487 HD21 LEU 63 HD21 LEU 63 83.614 3.307 2.387 488 HD22 LEU 63 HD22 LEU 63 84.169 4.842 3.059 489 HD23 LEU 63 HD23 LEU 63 83.775 3.501 4.130 490 H TRP 64 HN TRP 64 88.309 4.114 -0.314 491 HA TRP 64 HA TRP 64 87.320 3.011 -2.936 492 HB2 TRP 64 HB2 TRP 64 87.977 4.946 -3.938 493 HB3 TRP 64 HB1 TRP 64 88.398 5.598 -2.379 494 HD1 TRP 64 HD1 TRP 64 91.049 4.286 -1.630 495 HE1 TRP 64 HE1 TRP 64 93.161 4.552 -3.069 496 HE3 TRP 64 HE3 TRP 64 88.926 5.612 -6.082 497 HZ2 TRP 64 HZ2 TRP 64 93.872 5.280 -5.739 498 HZ3 TRP 64 HZ3 TRP 64 90.348 6.111 -8.049 499 HH2 TRP 64 HH2 TRP 64 92.816 5.951 -7.883 500 H TRP 65 HN TRP 65 88.827 1.621 -4.028 501 HA TRP 65 HA TRP 65 90.955 0.513 -2.225 502 HB2 TRP 65 HB2 TRP 65 88.992 -0.977 -2.957 503 HB3 TRP 65 HB1 TRP 65 89.695 -0.920 -4.570 504 HD1 TRP 65 HD1 TRP 65 92.674 -0.813 -2.635 505 HE1 TRP 65 HE1 TRP 65 93.654 -3.134 -2.168 506 HE3 TRP 65 HE3 TRP 65 88.618 -3.734 -3.733 507 HZ2 TRP 65 HZ2 TRP 65 92.850 -5.872 -2.248 508 HZ3 TRP 65 HZ3 TRP 65 88.772 -6.197 -3.535 509 HH2 TRP 65 HH2 TRP 65 90.875 -7.270 -2.790 510 H GLU 66 HN GLU 66 92.679 1.859 -2.944 511 HA GLU 66 HA GLU 66 93.215 2.614 -5.603 512 HB2 GLU 66 HB2 GLU 66 95.621 2.779 -4.857 513 HB3 GLU 66 HB1 GLU 66 94.458 3.633 -3.853 514 HG2 GLU 66 HG2 GLU 66 94.395 1.693 -2.304 515 HG3 GLU 66 HG1 GLU 66 95.607 0.896 -3.299 516 H LYS 67 HN LYS 67 93.700 -0.523 -4.115 517 HA LYS 67 HA LYS 67 95.631 -1.437 -6.077 518 HB2 LYS 67 HB2 LYS 67 93.587 -3.161 -4.652 519 HB3 LYS 67 HB1 LYS 67 95.134 -3.673 -5.317 520 HG2 LYS 67 HG2 LYS 67 94.753 -1.776 -2.985 521 HG3 LYS 67 HG1 LYS 67 95.272 -3.455 -2.875 522 HD2 LYS 67 HD2 LYS 67 97.182 -2.747 -4.484 523 HD3 LYS 67 HD1 LYS 67 96.751 -1.098 -4.031 524 HE2 LYS 67 HE2 LYS 67 98.338 -1.555 -2.395 525 HE3 LYS 67 HE1 LYS 67 96.884 -2.115 -1.563 526 HZ1 LYS 67 HZ1 LYS 67 99.131 -3.612 -2.515 527 HZ2 LYS 67 HZ2 LYS 67 97.655 -4.255 -3.058 528 HZ3 LYS 67 HZ3 LYS 67 97.935 -4.051 -1.395 529 H LYS 68 HN LYS 68 92.469 -0.484 -6.167 530 HA LYS 68 HA LYS 68 91.970 -1.783 -8.801 531 HB2 LYS 68 HB2 LYS 68 89.692 -1.202 -6.916 532 HB3 LYS 68 HB1 LYS 68 89.788 -2.391 -8.211 533 HG2 LYS 68 HG2 LYS 68 91.467 -2.632 -5.692 534 HG3 LYS 68 HG1 LYS 68 89.848 -3.283 -5.812 535 HD2 LYS 68 HD2 LYS 68 90.430 -4.786 -7.540 536 HD3 LYS 68 HD1 LYS 68 91.933 -3.929 -7.883 537 HE2 LYS 68 HE2 LYS 68 93.042 -4.880 -6.090 538 HE3 LYS 68 HE1 LYS 68 91.581 -5.050 -5.123 539 HZ1 LYS 68 HZ1 LYS 68 91.181 -7.061 -5.957 540 HZ2 LYS 68 HZ2 LYS 68 92.798 -7.042 -6.478 541 HZ3 LYS 68 HZ3 LYS 68 91.553 -6.599 -7.546 542 H ARG 69 HN ARG 69 92.109 1.029 -6.868 543 HA ARG 69 HA ARG 69 91.487 3.255 -7.269 544 HB2 ARG 69 HB2 ARG 69 91.808 2.191 -10.096 545 HB3 ARG 69 HB1 ARG 69 91.414 3.872 -9.765 546 HG2 ARG 69 HG2 ARG 69 93.741 3.983 -9.906 547 HG3 ARG 69 HG1 ARG 69 93.528 3.760 -8.174 548 HD2 ARG 69 HD2 ARG 69 95.175 2.176 -8.728 549 HD3 ARG 69 HD1 ARG 69 93.693 1.228 -8.698 550 HE ARG 69 HE ARG 69 94.098 2.206 -11.348 551 HH11 ARG 69 HH11 ARG 69 94.935 0.788 -12.899 552 HH12 ARG 69 HH12 ARG 69 95.771 -0.640 -12.386 553 HH21 ARG 69 HH21 ARG 69 95.372 0.020 -9.006 554 HH22 ARG 69 HH22 ARG 69 96.020 -1.074 -10.183 555 H THR 70 HN THR 70 89.447 1.581 -6.549 556 HA THR 70 HA THR 70 87.174 2.274 -8.386 557 HB THR 70 HB THR 70 87.746 -0.158 -7.772 558 HG1 THR 70 HG1 THR 70 85.257 -0.148 -6.981 559 HG21 THR 70 HG21 THR 70 86.277 0.397 -5.219 560 HG22 THR 70 HG22 THR 70 88.032 0.561 -5.280 561 HG23 THR 70 HG23 THR 70 87.278 -0.991 -5.645 562 H TRP 71 HN TRP 71 85.082 2.138 -6.812 563 HA TRP 71 HA TRP 71 85.575 3.895 -4.449 564 HB2 TRP 71 HB2 TRP 71 83.174 4.804 -5.144 565 HB3 TRP 71 HB1 TRP 71 84.629 5.505 -5.826 566 HD1 TRP 71 HD1 TRP 71 83.143 2.134 -6.975 567 HE1 TRP 71 HE1 TRP 71 82.432 2.353 -9.395 568 HE3 TRP 71 HE3 TRP 71 84.054 7.104 -7.701 569 HZ2 TRP 71 HZ2 TRP 71 82.296 4.354 -11.447 570 HZ3 TRP 71 HZ3 TRP 71 83.634 8.136 -9.914 571 HH2 TRP 71 HH2 TRP 71 82.756 6.769 -11.787 572 H LEU 72 HN LEU 72 85.315 2.311 -2.962 573 HA LEU 72 HA LEU 72 83.613 0.085 -3.223 574 HB2 LEU 72 HB2 LEU 72 84.579 1.429 -0.706 575 HB3 LEU 72 HB1 LEU 72 83.988 -0.217 -0.809 576 HG LEU 72 HG LEU 72 86.287 0.802 -2.473 577 HD11 LEU 72 HD11 LEU 72 86.393 -0.622 0.185 578 HD12 LEU 72 HD12 LEU 72 86.879 1.045 -0.125 579 HD13 LEU 72 HD13 LEU 72 87.784 -0.284 -0.849 580 HD21 LEU 72 HD21 LEU 72 85.556 -1.181 -3.469 581 HD22 LEU 72 HD22 LEU 72 85.091 -1.903 -1.926 582 HD23 LEU 72 HD23 LEU 72 86.795 -1.770 -2.361 583 H LEU 73 HN LEU 73 81.706 0.965 -4.048 584 HA LEU 73 HA LEU 73 79.851 2.156 -2.018 585 HB2 LEU 73 HB2 LEU 73 78.512 2.943 -4.002 586 HB3 LEU 73 HB1 LEU 73 80.093 3.702 -3.863 587 HG LEU 73 HG LEU 73 80.747 1.578 -5.469 588 HD11 LEU 73 HD11 LEU 73 79.064 1.039 -7.024 589 HD12 LEU 73 HD12 LEU 73 78.048 2.400 -6.545 590 HD13 LEU 73 HD13 LEU 73 78.206 1.008 -5.482 591 HD21 LEU 73 HD21 LEU 73 81.259 3.921 -5.958 592 HD22 LEU 73 HD22 LEU 73 79.581 4.229 -6.376 593 HD23 LEU 73 HD23 LEU 73 80.558 3.158 -7.379 594 H LYS 74 HN LYS 74 80.735 -0.674 -3.299 595 HA LYS 74 HA LYS 74 78.122 -1.767 -4.031 596 HB2 LYS 74 HB2 LYS 74 80.923 -2.832 -3.780 597 HB3 LYS 74 HB1 LYS 74 79.597 -3.985 -3.732 598 HG2 LYS 74 HG2 LYS 74 80.405 -3.718 -6.032 599 HG3 LYS 74 HG1 LYS 74 78.756 -3.123 -5.885 600 HD2 LYS 74 HD2 LYS 74 80.123 -1.563 -7.202 601 HD3 LYS 74 HD1 LYS 74 79.600 -0.816 -5.698 602 HE2 LYS 74 HE2 LYS 74 82.112 -0.596 -6.447 603 HE3 LYS 74 HE1 LYS 74 81.732 -0.896 -4.756 604 HZ1 LYS 74 HZ1 LYS 74 82.377 -3.076 -4.897 605 HZ2 LYS 74 HZ2 LYS 74 83.477 -2.349 -5.969 606 HZ3 LYS 74 HZ3 LYS 74 82.117 -3.172 -6.570 607 H THR 75 HN THR 75 77.206 -0.961 -1.861 608 HA THR 75 HA THR 75 77.905 -1.843 0.671 609 HB THR 75 HB THR 75 75.069 -1.847 -0.399 610 HG1 THR 75 HG1 THR 75 76.523 0.092 -0.647 611 HG21 THR 75 HG21 THR 75 76.179 -1.383 2.384 612 HG22 THR 75 HG22 THR 75 75.389 -2.869 1.845 613 HG23 THR 75 HG23 THR 75 74.475 -1.362 1.926 614 H HIS 76 HN HIS 76 75.813 -3.661 -1.597 615 HA HIS 76 HA HIS 76 75.476 -5.978 -0.048 616 HB2 HIS 76 HB2 HIS 76 75.978 -6.075 -3.029 617 HB3 HIS 76 HB1 HIS 76 74.917 -7.105 -2.067 618 HD1 HIS 76 HD1 HIS 76 72.844 -5.742 -0.878 619 HD2 HIS 76 HD2 HIS 76 74.677 -3.905 -4.140 620 HE1 HIS 76 HE1 HIS 76 71.238 -3.962 -1.692 621 H TRP 77 HN TRP 77 76.593 -8.170 -0.913 622 HA TRP 77 HA TRP 77 78.508 -9.477 -0.769 623 HB2 TRP 77 HB2 TRP 77 79.455 -7.107 -2.386 624 HB3 TRP 77 HB1 TRP 77 80.564 -8.399 -1.948 625 HD1 TRP 77 HD1 TRP 77 77.000 -9.431 -2.553 626 HE1 TRP 77 HE1 TRP 77 76.846 -10.726 -4.771 627 HE3 TRP 77 HE3 TRP 77 81.659 -8.520 -4.434 628 HZ2 TRP 77 HZ2 TRP 77 78.477 -11.298 -7.053 629 HZ3 TRP 77 HZ3 TRP 77 82.332 -9.449 -6.631 630 HH2 TRP 77 HH2 TRP 77 80.748 -10.835 -7.942 631 H THR 78 HN THR 78 80.854 -9.362 0.022 632 HA THR 78 HA THR 78 81.129 -7.375 2.242 633 HB THR 78 HB THR 78 82.235 -10.023 2.899 634 HG1 THR 78 HG1 THR 78 79.490 -10.167 2.889 635 HG21 THR 78 HG21 THR 78 80.272 -8.104 4.152 636 HG22 THR 78 HG22 THR 78 81.833 -8.674 4.754 637 HG23 THR 78 HG23 THR 78 80.433 -9.745 4.766 638 H LEU 79 HN LEU 79 83.530 -8.307 3.219 639 HA LEU 79 HA LEU 79 85.433 -7.251 1.309 640 HB2 LEU 79 HB2 LEU 79 85.737 -8.707 3.932 641 HB3 LEU 79 HB1 LEU 79 87.120 -8.137 3.016 642 HG LEU 79 HG LEU 79 86.434 -5.841 3.269 643 HD11 LEU 79 HD11 LEU 79 83.911 -7.038 4.414 644 HD12 LEU 79 HD12 LEU 79 84.056 -5.961 3.022 645 HD13 LEU 79 HD13 LEU 79 84.349 -5.349 4.647 646 HD21 LEU 79 HD21 LEU 79 86.230 -5.723 5.832 647 HD22 LEU 79 HD22 LEU 79 87.625 -6.596 5.196 648 HD23 LEU 79 HD23 LEU 79 86.231 -7.489 5.807 649 H ASP 80 HN ASP 80 85.077 -10.405 2.885 650 HA ASP 80 HA ASP 80 86.867 -11.974 1.486 651 HB2 ASP 80 HB2 ASP 80 85.335 -12.736 3.295 652 HB3 ASP 80 HB1 ASP 80 84.011 -12.747 2.131 653 H LYS 81 HN LYS 81 83.511 -11.345 0.513 654 HA LYS 81 HA LYS 81 83.405 -12.727 -1.871 655 HB2 LYS 81 HB2 LYS 81 82.342 -9.911 -1.727 656 HB3 LYS 81 HB1 LYS 81 81.649 -11.308 -2.542 657 HG2 LYS 81 HG2 LYS 81 81.813 -10.819 0.432 658 HG3 LYS 81 HG1 LYS 81 80.357 -10.925 -0.558 659 HD2 LYS 81 HD2 LYS 81 81.053 -13.299 -1.118 660 HD3 LYS 81 HD1 LYS 81 82.278 -13.154 0.137 661 HE2 LYS 81 HE2 LYS 81 80.665 -12.913 1.852 662 HE3 LYS 81 HE1 LYS 81 79.373 -12.559 0.706 663 HZ1 LYS 81 HZ1 LYS 81 79.173 -14.740 0.109 664 HZ2 LYS 81 HZ2 LYS 81 79.615 -14.921 1.740 665 HZ3 LYS 81 HZ3 LYS 81 80.773 -15.129 0.514 666 H TYR 82 HN TYR 82 84.486 -9.362 -1.520 667 HA TYR 82 HA TYR 82 85.475 -9.256 -4.250 668 HB2 TYR 82 HB2 TYR 82 85.382 -7.447 -1.896 669 HB3 TYR 82 HB1 TYR 82 86.760 -7.180 -2.956 670 HD1 TYR 82 HD1 TYR 82 86.217 -7.116 -5.537 671 HD2 TYR 82 HD2 TYR 82 83.329 -6.426 -2.431 672 HE1 TYR 82 HE1 TYR 82 84.764 -5.924 -7.153 673 HE2 TYR 82 HE2 TYR 82 81.876 -5.233 -4.050 674 HH TYR 82 HH TYR 82 82.967 -4.545 -7.338 675 H GLY 83 HN GLY 83 87.000 -9.746 -1.072 676 HA2 GLY 83 HA2 GLY 83 88.875 -11.414 -1.013 677 HA3 GLY 83 HA1 GLY 83 89.487 -10.669 -2.492 678 H ILE 84 HN ILE 84 88.146 -8.333 -0.548 679 HA ILE 84 HA ILE 84 90.600 -6.980 -0.062 680 HB ILE 84 HB ILE 84 87.916 -6.697 1.315 681 HG12 ILE 84 HG12 ILE 84 89.028 -4.898 -0.846 682 HG13 ILE 84 HG11 ILE 84 88.194 -6.389 -1.274 683 HG21 ILE 84 HG21 ILE 84 89.552 -5.605 2.671 684 HG22 ILE 84 HG22 ILE 84 88.804 -4.335 1.709 685 HG23 ILE 84 HG23 ILE 84 90.394 -4.957 1.265 686 HD11 ILE 84 HD11 ILE 84 86.166 -5.681 -0.276 687 HD12 ILE 84 HD12 ILE 84 86.764 -4.248 -1.112 688 HD13 ILE 84 HD13 ILE 84 86.966 -4.398 0.633 689 H GLN 85 HN GLN 85 91.520 -6.489 2.079 690 HA GLN 85 HA GLN 85 90.922 -8.063 4.399 691 HB2 GLN 85 HB2 GLN 85 92.141 -9.636 2.581 692 HB3 GLN 85 HB1 GLN 85 93.578 -8.890 3.267 693 HG2 GLN 85 HG2 GLN 85 93.360 -10.698 4.715 694 HG3 GLN 85 HG1 GLN 85 92.380 -9.514 5.577 695 HE21 GLN 85 HE21 GLN 85 90.060 -9.530 3.964 696 HE22 GLN 85 HE22 GLN 85 89.323 -11.047 4.079 697 H ALA 86 HN ALA 86 93.493 -8.109 5.549 698 HA ALA 86 HA ALA 86 93.833 -5.339 6.279 699 HB1 ALA 86 HB1 ALA 86 94.378 -6.992 7.918 700 HB2 ALA 86 HB2 ALA 86 95.918 -6.288 7.432 701 HB3 ALA 86 HB3 ALA 86 95.422 -7.854 6.786 702 H ASP 87 HN ASP 87 95.444 -7.503 4.047 703 HA ASP 87 HA ASP 87 97.763 -5.867 3.582 704 HB2 ASP 87 HB2 ASP 87 97.861 -8.160 2.966 705 HB3 ASP 87 HB1 ASP 87 96.376 -8.056 2.039 706 H ALA 88 HN ALA 88 94.507 -5.575 2.779 707 HA ALA 88 HA ALA 88 95.000 -3.871 0.388 708 HB1 ALA 88 HB1 ALA 88 92.349 -3.831 0.618 709 HB2 ALA 88 HB2 ALA 88 92.656 -5.222 1.660 710 HB3 ALA 88 HB3 ALA 88 93.168 -5.258 -0.021 711 H LYS 89 HN LYS 89 95.515 -1.760 0.936 712 HA LYS 89 HA LYS 89 94.335 -0.603 3.413 713 HB2 LYS 89 HB2 LYS 89 96.272 0.847 1.620 714 HB3 LYS 89 HB1 LYS 89 95.995 1.050 3.348 715 HG2 LYS 89 HG2 LYS 89 97.160 -1.471 2.142 716 HG3 LYS 89 HG1 LYS 89 98.132 -0.136 2.719 717 HD2 LYS 89 HD2 LYS 89 97.586 -0.489 4.958 718 HD3 LYS 89 HD1 LYS 89 96.081 -1.309 4.567 719 HE2 LYS 89 HE2 LYS 89 97.763 -2.911 5.375 720 HE3 LYS 89 HE1 LYS 89 97.320 -3.223 3.696 721 HZ1 LYS 89 HZ1 LYS 89 99.761 -1.880 4.701 722 HZ2 LYS 89 HZ2 LYS 89 99.288 -1.838 3.070 723 HZ3 LYS 89 HZ3 LYS 89 99.661 -3.320 3.811 724 H LEU 90 HN LEU 90 92.500 0.391 3.235 725 HA LEU 90 HA LEU 90 91.639 1.544 0.648 726 HB2 LEU 90 HB2 LEU 90 89.998 1.586 3.165 727 HB3 LEU 90 HB1 LEU 90 89.456 1.511 1.491 728 HG LEU 90 HG LEU 90 90.833 -0.677 3.051 729 HD11 LEU 90 HD11 LEU 90 88.082 -0.543 1.793 730 HD12 LEU 90 HD12 LEU 90 88.408 -0.314 3.510 731 HD13 LEU 90 HD13 LEU 90 88.727 -1.874 2.752 732 HD21 LEU 90 HD21 LEU 90 90.306 -1.999 0.899 733 HD22 LEU 90 HD22 LEU 90 91.668 -0.881 0.834 734 HD23 LEU 90 HD23 LEU 90 90.119 -0.424 0.125 735 H GLN 91 HN GLN 91 90.367 3.689 0.993 736 HA GLN 91 HA GLN 91 91.844 5.547 2.809 737 HB2 GLN 91 HB2 GLN 91 91.048 6.215 -0.038 738 HB3 GLN 91 HB1 GLN 91 92.034 7.190 1.045 739 HG2 GLN 91 HG2 GLN 91 93.918 5.831 0.757 740 HG3 GLN 91 HG1 GLN 91 92.976 4.441 0.270 741 HE21 GLN 91 HE21 GLN 91 91.886 7.287 -1.204 742 HE22 GLN 91 HE22 GLN 91 92.625 7.057 -2.705 743 H PHE 92 HN PHE 92 90.544 7.538 3.197 744 HA PHE 92 HA PHE 92 87.612 7.130 2.676 745 HB2 PHE 92 HB2 PHE 92 87.632 6.877 4.988 746 HB3 PHE 92 HB1 PHE 92 89.082 7.842 5.182 747 HD1 PHE 92 HD1 PHE 92 88.400 9.372 6.861 748 HD2 PHE 92 HD2 PHE 92 85.969 8.849 3.356 749 HE1 PHE 92 HE1 PHE 92 87.044 11.338 7.510 750 HE2 PHE 92 HE2 PHE 92 84.616 10.823 4.017 751 HZ PHE 92 HZ PHE 92 85.154 12.067 6.084 752 H THR 93 HN THR 93 87.509 8.379 0.877 753 HA THR 93 HA THR 93 88.103 11.296 1.209 754 HB THR 93 HB THR 93 89.871 10.949 -0.219 755 HG1 THR 93 HG1 THR 93 88.021 10.324 -2.235 756 HG21 THR 93 HG21 THR 93 88.496 8.387 -1.064 757 HG22 THR 93 HG22 THR 93 89.853 8.536 0.051 758 HG23 THR 93 HG23 THR 93 90.071 8.913 -1.657 759 HA PRO 94 HA PRO 94 84.204 12.442 -0.521 760 HB2 PRO 94 HB2 PRO 94 85.146 13.529 -3.039 761 HB3 PRO 94 HB1 PRO 94 84.653 14.412 -1.584 762 HG2 PRO 94 HG2 PRO 94 87.363 13.674 -2.503 763 HG3 PRO 94 HG1 PRO 94 86.852 14.997 -1.440 764 HD2 PRO 94 HD2 PRO 94 88.164 12.862 -0.469 765 HD3 PRO 94 HD1 PRO 94 86.883 13.652 0.472 766 H TYR 541 HT1 TYR 541 48.044 38.502 15.924 767 HA TYR 541 HA TYR 541 49.352 39.446 14.228 768 HB2 TYR 541 HB2 TYR 541 51.237 37.460 15.157 769 HB3 TYR 541 HB1 TYR 541 51.030 37.236 13.425 770 HD1 TYR 541 HD1 TYR 541 52.007 39.647 16.066 771 HD2 TYR 541 HD2 TYR 541 51.810 38.883 11.844 772 HE1 TYR 541 HE1 TYR 541 53.462 41.611 15.643 773 HE2 TYR 541 HE2 TYR 541 53.266 40.846 11.420 774 HH TYR 541 HH TYR 541 53.790 43.056 12.701 775 H HIS 542 HN HIS 542 49.896 37.875 11.918 776 HA HIS 542 HA HIS 542 47.178 37.157 11.181 777 HB2 HIS 542 HB2 HIS 542 49.849 37.138 9.771 778 HB3 HIS 542 HB1 HIS 542 48.412 36.465 9.011 779 HD1 HIS 542 HD1 HIS 542 47.655 38.189 7.364 780 HD2 HIS 542 HD2 HIS 542 48.705 39.900 11.017 781 HE1 HIS 542 HE1 HIS 542 47.083 40.650 7.193 782 H GLU 543 HN GLU 543 50.107 35.212 10.591 783 HA GLU 543 HA GLU 543 49.076 32.921 12.095 784 HB2 GLU 543 HB2 GLU 543 48.984 31.495 9.973 785 HB3 GLU 543 HB1 GLU 543 47.657 32.641 10.182 786 HG2 GLU 543 HG2 GLU 543 48.439 34.078 8.521 787 HG3 GLU 543 HG1 GLU 543 50.119 33.565 8.712 788 H ARG 544 HN ARG 544 51.576 34.655 11.343 789 HA ARG 544 HA ARG 544 53.866 34.337 11.067 790 HB2 ARG 544 HB2 ARG 544 52.924 31.864 12.491 791 HB3 ARG 544 HB1 ARG 544 54.629 32.132 12.157 792 HG2 ARG 544 HG2 ARG 544 54.194 32.990 14.370 793 HG3 ARG 544 HG1 ARG 544 54.422 34.365 13.305 794 HD2 ARG 544 HD2 ARG 544 52.212 35.010 13.413 795 HD3 ARG 544 HD1 ARG 544 51.613 33.369 13.593 796 HE ARG 544 HE ARG 544 52.147 35.265 15.698 797 HH11 ARG 544 HH11 ARG 544 52.382 34.650 17.840 798 HH12 ARG 544 HH12 ARG 544 52.660 32.984 18.225 799 HH21 ARG 544 HH21 ARG 544 52.590 31.929 14.927 800 HH22 ARG 544 HH22 ARG 544 52.779 31.447 16.579 801 H ARG 545 HN ARG 545 54.019 34.289 8.839 802 HA ARG 545 HA ARG 545 53.211 32.382 7.024 803 HB2 ARG 545 HB2 ARG 545 55.815 33.141 6.118 804 HB3 ARG 545 HB1 ARG 545 54.273 33.842 5.642 805 HG2 ARG 545 HG2 ARG 545 55.697 34.713 8.168 806 HG3 ARG 545 HG1 ARG 545 56.046 35.434 6.602 807 HD2 ARG 545 HD2 ARG 545 53.191 35.235 7.542 808 HD3 ARG 545 HD1 ARG 545 54.224 36.545 8.112 809 HE ARG 545 HE ARG 545 54.558 36.575 5.357 810 HH11 ARG 545 HH11 ARG 545 53.249 37.807 3.987 811 HH12 ARG 545 HH12 ARG 545 51.657 38.254 4.504 812 HH21 ARG 545 HH21 ARG 545 51.919 36.662 7.574 813 HH22 ARG 545 HH22 ARG 545 50.904 37.606 6.535 814 H GLY 546 HN GLY 546 56.263 32.243 8.894 815 HA2 GLY 546 HA2 GLY 546 56.980 29.697 7.674 816 HA3 GLY 546 HA1 GLY 546 57.809 30.468 9.024 817 H SER 547 HN SER 547 57.888 28.919 10.517 818 HA SER 547 HA SER 547 55.491 28.107 11.933 819 HB2 SER 547 HB2 SER 547 56.838 26.240 10.010 820 HB3 SER 547 HB1 SER 547 56.305 25.572 11.551 821 HG SER 547 HG SER 547 54.488 25.439 10.451 822 H LEU 548 HN LEU 548 56.284 28.240 14.014 823 HA LEU 548 HA LEU 548 59.031 28.500 14.544 824 HB2 LEU 548 HB2 LEU 548 56.579 28.164 16.168 825 HB3 LEU 548 HB1 LEU 548 58.055 27.658 16.980 826 HG LEU 548 HG LEU 548 59.056 29.911 16.300 827 HD11 LEU 548 HD11 LEU 548 56.190 30.322 15.464 828 HD12 LEU 548 HD12 LEU 548 57.659 30.638 14.548 829 HD13 LEU 548 HD13 LEU 548 57.229 31.676 15.900 830 HD21 LEU 548 HD21 LEU 548 56.602 30.232 18.012 831 HD22 LEU 548 HD22 LEU 548 58.165 31.039 18.162 832 HD23 LEU 548 HD23 LEU 548 58.012 29.330 18.569 833 H CYS 549 HN CYS 549 60.676 27.104 14.941 834 HA CYS 549 HA CYS 549 60.146 24.232 14.549 835 HB2 CYS 549 HB2 CYS 549 62.155 24.917 13.510 836 HB3 CYS 549 HB1 CYS 549 62.583 25.989 14.830 837 H SER 550 HN SER 550 59.183 23.419 16.334 838 HA SER 550 HA SER 550 59.335 24.341 18.949 839 HB2 SER 550 HB2 SER 550 57.670 22.754 18.477 840 HB3 SER 550 HB1 SER 550 58.828 21.554 17.918 841 HG SER 550 HG SER 550 59.525 22.267 20.366 842 H GLY 551 HN GLY 551 60.816 24.421 20.403 843 HA2 GLY 551 HA2 GLY 551 62.630 23.351 21.724 844 HA3 GLY 551 HA1 GLY 551 63.226 22.648 20.213 845 H CYS 552 HN CYS 552 62.662 24.943 18.633 846 HA CYS 552 HA CYS 552 64.887 26.749 19.480 847 HB2 CYS 552 HB2 CYS 552 63.675 25.894 16.862 848 HB3 CYS 552 HB1 CYS 552 64.528 27.425 16.962 849 H GLN 553 HN GLN 553 61.571 26.507 18.368 850 HA GLN 553 HA GLN 553 59.850 28.009 18.288 851 HB2 GLN 553 HB2 GLN 553 61.339 29.169 20.626 852 HB3 GLN 553 HB1 GLN 553 59.710 29.650 20.144 853 HG2 GLN 553 HG2 GLN 553 60.513 26.803 20.744 854 HG3 GLN 553 HG1 GLN 553 59.755 27.863 21.914 855 HE21 GLN 553 HE21 GLN 553 59.245 26.193 18.835 856 HE22 GLN 553 HE22 GLN 553 57.548 26.235 18.884 857 H LYS 554 HN LYS 554 61.302 28.419 16.354 858 HA LYS 554 HA LYS 554 61.379 31.359 15.976 859 HB2 LYS 554 HB2 LYS 554 63.577 29.468 15.086 860 HB3 LYS 554 HB1 LYS 554 63.472 31.165 14.636 861 HG2 LYS 554 HG2 LYS 554 63.636 30.177 17.494 862 HG3 LYS 554 HG1 LYS 554 65.027 30.714 16.560 863 HD2 LYS 554 HD2 LYS 554 63.600 32.892 16.184 864 HD3 LYS 554 HD1 LYS 554 62.700 32.325 17.588 865 HE2 LYS 554 HE2 LYS 554 65.698 32.760 17.507 866 HE3 LYS 554 HE1 LYS 554 64.531 33.862 18.239 867 HZ1 LYS 554 HZ1 LYS 554 65.749 31.736 19.460 868 HZ2 LYS 554 HZ2 LYS 554 64.174 31.182 19.144 869 HZ3 LYS 554 HZ3 LYS 554 64.414 32.602 20.046 870 HA PRO 555 HA PRO 555 58.680 29.848 12.658 871 HB2 PRO 555 HB2 PRO 555 59.757 32.189 11.178 872 HB3 PRO 555 HB1 PRO 555 58.073 31.699 11.427 873 HG2 PRO 555 HG2 PRO 555 59.259 33.751 12.812 874 HG3 PRO 555 HG1 PRO 555 57.939 32.782 13.475 875 HD2 PRO 555 HD2 PRO 555 60.784 32.820 14.286 876 HD3 PRO 555 HD1 PRO 555 59.387 32.139 15.154 877 H ILE 556 HN ILE 556 59.020 28.400 11.137 878 HA ILE 556 HA ILE 556 61.725 28.012 10.000 879 HB ILE 556 HB ILE 556 59.171 26.368 9.945 880 HG12 ILE 556 HG12 ILE 556 61.785 25.514 11.178 881 HG13 ILE 556 HG11 ILE 556 60.760 26.613 12.075 882 HG21 ILE 556 HG21 ILE 556 61.876 25.889 8.699 883 HG22 ILE 556 HG22 ILE 556 60.301 25.902 7.905 884 HG23 ILE 556 HG23 ILE 556 60.720 24.602 9.017 885 HD11 ILE 556 HD11 ILE 556 60.520 23.903 12.202 886 HD12 ILE 556 HD12 ILE 556 59.366 24.244 10.918 887 HD13 ILE 556 HD13 ILE 556 59.178 25.000 12.500 888 H THR 557 HN THR 557 61.894 29.578 8.359 889 HA THR 557 HA THR 557 59.658 29.830 6.409 890 HB THR 557 HB THR 557 60.570 31.918 5.833 891 HG1 THR 557 HG1 THR 557 62.903 30.663 6.531 892 HG21 THR 557 HG21 THR 557 60.767 33.035 7.945 893 HG22 THR 557 HG22 THR 557 61.372 31.573 8.727 894 HG23 THR 557 HG23 THR 557 59.690 31.660 8.204 895 H GLY 558 HN GLY 558 59.939 27.972 5.194 896 HA2 GLY 558 HA2 GLY 558 61.226 27.970 2.807 897 HA3 GLY 558 HA1 GLY 558 62.492 27.364 3.885 898 H ARG 559 HN ARG 559 62.281 25.338 4.776 899 HA ARG 559 HA ARG 559 59.974 23.661 3.868 900 HB2 ARG 559 HB2 ARG 559 62.927 23.143 4.162 901 HB3 ARG 559 HB1 ARG 559 61.813 21.801 4.417 902 HG2 ARG 559 HG2 ARG 559 61.513 23.531 1.970 903 HG3 ARG 559 HG1 ARG 559 62.763 22.290 2.000 904 HD2 ARG 559 HD2 ARG 559 61.196 20.540 2.217 905 HD3 ARG 559 HD1 ARG 559 59.917 21.628 2.754 906 HE ARG 559 HE ARG 559 60.498 22.505 0.192 907 HH11 ARG 559 HH11 ARG 559 59.447 21.693 -1.637 908 HH12 ARG 559 HH12 ARG 559 58.749 20.108 -1.586 909 HH21 ARG 559 HH21 ARG 559 59.694 19.507 1.694 910 HH22 ARG 559 HH22 ARG 559 58.888 18.873 0.298 911 H CYS 560 HN CYS 560 59.118 22.225 5.515 912 HA CYS 560 HA CYS 560 60.214 22.589 8.244 913 HB2 CYS 560 HB2 CYS 560 57.988 23.101 9.171 914 HB3 CYS 560 HB1 CYS 560 58.557 24.362 8.072 915 HG CYS 560 HG CYS 560 56.972 22.480 6.416 916 H ILE 561 HN ILE 561 60.330 20.800 9.269 917 HA ILE 561 HA ILE 561 58.868 18.426 8.306 918 HB ILE 561 HB ILE 561 61.018 18.829 10.407 919 HG12 ILE 561 HG12 ILE 561 60.994 17.751 7.592 920 HG13 ILE 561 HG11 ILE 561 61.757 19.239 8.126 921 HG21 ILE 561 HG21 ILE 561 59.483 16.821 10.802 922 HG22 ILE 561 HG22 ILE 561 61.180 16.432 10.545 923 HG23 ILE 561 HG23 ILE 561 60.026 16.228 9.234 924 HD11 ILE 561 HD11 ILE 561 63.139 17.810 9.707 925 HD12 ILE 561 HD12 ILE 561 63.506 17.615 7.993 926 HD13 ILE 561 HD13 ILE 561 62.529 16.403 8.831 927 H THR 562 HN THR 562 57.475 17.327 9.608 928 HA THR 562 HA THR 562 56.527 18.728 12.077 929 HB THR 562 HB THR 562 54.779 16.971 10.371 930 HG1 THR 562 HG1 THR 562 54.320 18.635 9.148 931 HG21 THR 562 HG21 THR 562 53.000 17.955 11.632 932 HG22 THR 562 HG22 THR 562 54.071 19.193 12.290 933 HG23 THR 562 HG23 THR 562 54.245 17.513 12.804 934 H ALA 563 HN ALA 563 56.033 17.483 13.822 935 HA ALA 563 HA ALA 563 56.891 14.622 13.703 936 HB1 ALA 563 HB1 ALA 563 58.499 16.187 14.819 937 HB2 ALA 563 HB2 ALA 563 57.879 14.919 15.887 938 HB3 ALA 563 HB3 ALA 563 57.235 16.560 15.993 939 H MET 564 HN MET 564 56.129 15.071 16.728 940 HA MET 564 HA MET 564 53.606 13.720 16.626 941 HB2 MET 564 HB2 MET 564 54.532 15.325 18.996 942 HB3 MET 564 HB1 MET 564 53.722 13.757 18.964 943 HG2 MET 564 HG2 MET 564 55.857 12.892 17.788 944 HG3 MET 564 HG1 MET 564 56.598 14.397 18.327 945 HE1 MET 564 HE1 MET 564 54.420 11.408 19.418 946 HE2 MET 564 HE2 MET 564 55.390 10.732 20.724 947 HE3 MET 564 HE3 MET 564 56.058 10.822 19.096 948 H ALA 565 HN ALA 565 53.885 16.303 15.269 949 HA ALA 565 HA ALA 565 52.024 17.729 14.636 950 HB1 ALA 565 HB1 ALA 565 50.558 18.704 16.263 951 HB2 ALA 565 HB2 ALA 565 51.557 18.146 17.601 952 HB3 ALA 565 HB3 ALA 565 50.632 16.985 16.639 953 H LYS 566 HN LYS 566 54.747 17.758 16.544 954 HA LYS 566 HA LYS 566 54.978 20.681 16.810 955 HB2 LYS 566 HB2 LYS 566 56.613 18.277 17.511 956 HB3 LYS 566 HB1 LYS 566 57.505 19.769 17.241 957 HG2 LYS 566 HG2 LYS 566 56.377 20.899 18.985 958 HG3 LYS 566 HG1 LYS 566 55.104 19.684 19.068 959 HD2 LYS 566 HD2 LYS 566 57.946 18.820 19.563 960 HD3 LYS 566 HD1 LYS 566 57.096 19.689 20.834 961 HE2 LYS 566 HE2 LYS 566 55.484 18.000 21.092 962 HE3 LYS 566 HE1 LYS 566 55.750 17.359 19.466 963 HZ1 LYS 566 HZ1 LYS 566 57.933 16.591 20.178 964 HZ2 LYS 566 HZ2 LYS 566 56.708 15.916 21.143 965 HZ3 LYS 566 HZ3 LYS 566 57.659 17.190 21.741 966 H LYS 567 HN LYS 567 56.796 21.822 15.714 967 HA LYS 567 HA LYS 567 57.179 20.794 12.930 968 HB2 LYS 567 HB2 LYS 567 57.815 23.589 13.806 969 HB3 LYS 567 HB1 LYS 567 57.325 23.022 12.223 970 HG2 LYS 567 HG2 LYS 567 55.554 23.177 14.687 971 HG3 LYS 567 HG1 LYS 567 55.490 24.252 13.301 972 HD2 LYS 567 HD2 LYS 567 54.954 21.253 13.189 973 HD3 LYS 567 HD1 LYS 567 53.722 22.515 13.195 974 HE2 LYS 567 HE2 LYS 567 54.983 23.472 11.138 975 HE3 LYS 567 HE1 LYS 567 55.737 21.882 11.056 976 HZ1 LYS 567 HZ1 LYS 567 53.845 20.918 10.393 977 HZ2 LYS 567 HZ2 LYS 567 53.399 22.488 9.922 978 HZ3 LYS 567 HZ3 LYS 567 52.869 21.862 11.409 979 H PHE 568 HN PHE 568 59.485 21.624 12.059 980 HA PHE 568 HA PHE 568 61.514 21.711 14.184 981 HB2 PHE 568 HB2 PHE 568 60.700 19.165 12.982 982 HB3 PHE 568 HB1 PHE 568 62.410 19.446 12.716 983 HD1 PHE 568 HD1 PHE 568 59.839 18.584 15.132 984 HD2 PHE 568 HD2 PHE 568 63.899 19.924 14.715 985 HE1 PHE 568 HE1 PHE 568 60.299 17.919 17.476 986 HE2 PHE 568 HE2 PHE 568 64.359 19.258 17.059 987 HZ PHE 568 HZ PHE 568 62.560 18.255 18.440 988 H HIS 569 HN HIS 569 63.330 22.681 13.431 989 HA HIS 569 HA HIS 569 63.447 23.847 10.855 990 HB2 HIS 569 HB2 HIS 569 65.477 23.205 12.958 991 HB3 HIS 569 HB1 HIS 569 66.052 23.731 11.388 992 HD2 HIS 569 HD2 HIS 569 64.510 26.325 10.660 993 HE1 HIS 569 HE1 HIS 569 64.785 27.524 14.692 994 HA PRO 570 HA PRO 570 63.901 19.807 8.749 995 HB2 PRO 570 HB2 PRO 570 65.090 21.534 6.616 996 HB3 PRO 570 HB1 PRO 570 63.803 20.322 6.495 997 HG2 PRO 570 HG2 PRO 570 63.296 23.003 6.455 998 HG3 PRO 570 HG1 PRO 570 62.149 21.823 7.099 999 HD2 PRO 570 HD2 PRO 570 63.792 23.806 8.565 1000 HD3 PRO 570 HD1 PRO 570 62.315 22.956 9.084 1001 H GLU 571 HN GLU 571 66.291 22.024 9.729 1002 HA GLU 571 HA GLU 571 68.565 20.301 8.911 1003 HB2 GLU 571 HB2 GLU 571 68.827 22.876 10.447 1004 HB3 GLU 571 HB1 GLU 571 69.939 22.157 9.285 1005 HG2 GLU 571 HG2 GLU 571 68.124 22.528 7.529 1006 HG3 GLU 571 HG1 GLU 571 67.306 23.520 8.742 1007 H HIS 572 HN HIS 572 67.326 21.928 11.828 1008 HA HIS 572 HA HIS 572 69.069 20.586 13.632 1009 HB2 HIS 572 HB2 HIS 572 66.256 21.540 14.263 1010 HB3 HIS 572 HB1 HIS 572 67.589 21.351 15.403 1011 HD2 HIS 572 HD2 HIS 572 69.723 22.732 13.021 1012 HE1 HIS 572 HE1 HIS 572 67.622 26.240 14.025 1013 H PHE 573 HN PHE 573 66.806 19.226 11.670 1014 HA PHE 573 HA PHE 573 66.681 16.777 13.388 1015 HB2 PHE 573 HB2 PHE 573 64.483 18.145 13.202 1016 HB3 PHE 573 HB1 PHE 573 64.454 17.592 11.536 1017 HD1 PHE 573 HD1 PHE 573 64.903 16.265 15.010 1018 HD2 PHE 573 HD2 PHE 573 63.446 15.525 11.036 1019 HE1 PHE 573 HE1 PHE 573 63.978 14.088 15.754 1020 HE2 PHE 573 HE2 PHE 573 62.521 13.348 11.781 1021 HZ PHE 573 HZ PHE 573 62.787 12.629 14.140 1022 H VAL 574 HN VAL 574 68.683 16.896 11.754 1023 HA VAL 574 HA VAL 574 68.024 15.951 9.047 1024 HB VAL 574 HB VAL 574 70.555 15.922 8.819 1025 HG11 VAL 574 HG11 VAL 574 70.124 18.706 9.589 1026 HG12 VAL 574 HG12 VAL 574 68.743 18.080 8.696 1027 HG13 VAL 574 HG13 VAL 574 70.348 18.019 8.005 1028 HG21 VAL 574 HG21 VAL 574 70.943 15.675 11.281 1029 HG22 VAL 574 HG22 VAL 574 70.386 17.343 11.503 1030 HG23 VAL 574 HG23 VAL 574 71.844 17.014 10.570 1031 H CYS 575 HN CYS 575 69.642 14.107 8.293 1032 HA CYS 575 HA CYS 575 69.088 11.700 9.860 1033 HB2 CYS 575 HB2 CYS 575 69.229 10.891 7.732 1034 HB3 CYS 575 HB1 CYS 575 70.002 12.373 7.184 1035 H ALA 576 HN ALA 576 70.681 10.448 11.061 1036 HA ALA 576 HA ALA 576 73.078 12.141 11.732 1037 HB1 ALA 576 HB1 ALA 576 72.020 11.365 13.692 1038 HB2 ALA 576 HB2 ALA 576 73.370 10.246 13.489 1039 HB3 ALA 576 HB3 ALA 576 71.739 9.758 13.021 1040 H PHE 577 HN PHE 577 73.877 11.639 9.567 1041 HA PHE 577 HA PHE 577 75.943 9.611 9.712 1042 HB2 PHE 577 HB2 PHE 577 74.090 8.396 8.454 1043 HB3 PHE 577 HB1 PHE 577 74.150 9.665 7.244 1044 HD1 PHE 577 HD1 PHE 577 74.492 7.183 6.082 1045 HD2 PHE 577 HD2 PHE 577 77.547 9.344 8.237 1046 HE1 PHE 577 HE1 PHE 577 76.252 5.949 4.881 1047 HE2 PHE 577 HE2 PHE 577 79.260 8.077 7.032 1048 HZ PHE 577 HZ PHE 577 78.630 6.387 5.355 1049 H CYS 578 HN CYS 578 74.167 11.591 7.501 1050 HA CYS 578 HA CYS 578 76.453 13.457 7.054 1051 HB2 CYS 578 HB2 CYS 578 75.448 13.875 4.825 1052 HB3 CYS 578 HB1 CYS 578 75.859 12.173 5.006 1053 H LEU 579 HN LEU 579 75.636 14.525 8.930 1054 HA LEU 579 HA LEU 579 73.056 15.297 9.557 1055 HB2 LEU 579 HB2 LEU 579 75.627 16.756 9.965 1056 HB3 LEU 579 HB1 LEU 579 74.138 17.167 10.788 1057 HG LEU 579 HG LEU 579 74.549 14.310 11.082 1058 HD11 LEU 579 HD11 LEU 579 76.667 14.103 12.101 1059 HD12 LEU 579 HD12 LEU 579 76.894 15.847 12.203 1060 HD13 LEU 579 HD13 LEU 579 76.988 15.034 10.638 1061 HD21 LEU 579 HD21 LEU 579 74.960 16.418 13.212 1062 HD22 LEU 579 HD22 LEU 579 74.370 14.771 13.415 1063 HD23 LEU 579 HD23 LEU 579 73.358 15.976 12.621 1064 H LYS 580 HN LYS 580 73.950 16.055 6.510 1065 HA LYS 580 HA LYS 580 73.415 18.949 6.690 1066 HB2 LYS 580 HB2 LYS 580 74.152 19.113 4.516 1067 HB3 LYS 580 HB1 LYS 580 74.937 17.612 4.974 1068 HG2 LYS 580 HG2 LYS 580 72.275 17.747 3.498 1069 HG3 LYS 580 HG1 LYS 580 73.837 17.540 2.726 1070 HD2 LYS 580 HD2 LYS 580 74.178 15.416 3.639 1071 HD3 LYS 580 HD1 LYS 580 73.021 15.681 4.935 1072 HE2 LYS 580 HE2 LYS 580 72.273 14.147 3.016 1073 HE3 LYS 580 HE1 LYS 580 71.169 15.435 3.495 1074 HZ1 LYS 580 HZ1 LYS 580 71.603 15.175 1.036 1075 HZ2 LYS 580 HZ2 LYS 580 73.158 15.790 1.336 1076 HZ3 LYS 580 HZ3 LYS 580 71.787 16.737 1.669 1077 H GLN 581 HN GLN 581 71.417 16.102 5.603 1078 HA GLN 581 HA GLN 581 69.115 17.786 6.120 1079 HB2 GLN 581 HB2 GLN 581 69.844 18.575 3.885 1080 HB3 GLN 581 HB1 GLN 581 69.445 16.985 3.241 1081 HG2 GLN 581 HG2 GLN 581 67.517 18.332 2.877 1082 HG3 GLN 581 HG1 GLN 581 67.112 17.342 4.262 1083 HE21 GLN 581 HE21 GLN 581 67.456 18.432 6.462 1084 HE22 GLN 581 HE22 GLN 581 67.224 20.105 6.544 1085 H LEU 582 HN LEU 582 67.231 16.784 6.412 1086 HA LEU 582 HA LEU 582 66.856 13.989 5.519 1087 HB2 LEU 582 HB2 LEU 582 67.714 14.130 7.910 1088 HB3 LEU 582 HB1 LEU 582 66.175 14.865 8.324 1089 HG LEU 582 HG LEU 582 65.018 12.851 7.463 1090 HD11 LEU 582 HD11 LEU 582 66.897 10.842 7.336 1091 HD12 LEU 582 HD12 LEU 582 67.765 12.175 6.574 1092 HD13 LEU 582 HD13 LEU 582 66.211 11.655 5.933 1093 HD21 LEU 582 HD21 LEU 582 67.053 12.703 9.672 1094 HD22 LEU 582 HD22 LEU 582 66.112 11.265 9.274 1095 HD23 LEU 582 HD23 LEU 582 65.295 12.747 9.766 1096 H ASN 583 HN ASN 583 64.471 13.379 5.841 1097 HA ASN 583 HA ASN 583 62.609 15.676 6.015 1098 HB2 ASN 583 HB2 ASN 583 63.198 14.143 3.485 1099 HB3 ASN 583 HB1 ASN 583 61.573 14.762 3.755 1100 HD21 ASN 583 HD21 ASN 583 62.956 15.798 1.620 1101 HD22 ASN 583 HD22 ASN 583 63.451 17.383 1.949 1102 H LYS 584 HN LYS 584 60.672 15.007 6.887 1103 HA LYS 584 HA LYS 584 60.330 12.476 8.059 1104 HB2 LYS 584 HB2 LYS 584 57.874 13.081 8.052 1105 HB3 LYS 584 HB1 LYS 584 58.937 14.316 8.726 1106 HG2 LYS 584 HG2 LYS 584 58.579 15.794 6.981 1107 HG3 LYS 584 HG1 LYS 584 58.450 14.512 5.775 1108 HD2 LYS 584 HD2 LYS 584 56.284 15.545 5.991 1109 HD3 LYS 584 HD1 LYS 584 56.196 13.948 6.720 1110 HE2 LYS 584 HE2 LYS 584 55.128 15.323 8.307 1111 HE3 LYS 584 HE1 LYS 584 56.764 15.173 8.948 1112 HZ1 LYS 584 HZ1 LYS 584 57.303 17.268 7.773 1113 HZ2 LYS 584 HZ2 LYS 584 56.136 17.456 8.994 1114 HZ3 LYS 584 HZ3 LYS 584 55.665 17.427 7.363 1115 H GLY 585 HN GLY 585 60.012 13.436 4.782 1116 HA2 GLY 585 HA2 GLY 585 58.299 11.162 4.034 1117 HA3 GLY 585 HA1 GLY 585 58.962 12.378 2.942 1118 H THR 586 HN THR 586 61.590 11.913 4.407 1119 HA THR 586 HA THR 586 62.352 9.282 3.220 1120 HB THR 586 HB THR 586 64.073 10.188 1.941 1121 HG1 THR 586 HG1 THR 586 64.915 11.334 3.806 1122 HG21 THR 586 HG21 THR 586 63.203 12.082 0.715 1123 HG22 THR 586 HG22 THR 586 62.185 12.554 2.078 1124 HG23 THR 586 HG23 THR 586 61.836 11.071 1.190 1125 H PHE 587 HN PHE 587 61.887 10.395 5.989 1126 HA PHE 587 HA PHE 587 64.630 10.284 7.121 1127 HB2 PHE 587 HB2 PHE 587 63.781 11.091 9.132 1128 HB3 PHE 587 HB1 PHE 587 62.786 11.899 7.945 1129 HD1 PHE 587 HD1 PHE 587 62.508 10.650 11.040 1130 HD2 PHE 587 HD2 PHE 587 60.769 9.945 7.177 1131 HE1 PHE 587 HE1 PHE 587 60.482 9.716 12.117 1132 HE2 PHE 587 HE2 PHE 587 58.748 9.012 8.254 1133 HZ PHE 587 HZ PHE 587 58.603 8.896 10.725 1134 H LYS 588 HN LYS 588 65.444 8.355 7.306 1135 HA LYS 588 HA LYS 588 63.770 6.049 8.178 1136 HB2 LYS 588 HB2 LYS 588 65.620 6.396 6.075 1137 HB3 LYS 588 HB1 LYS 588 66.509 5.513 7.270 1138 HG2 LYS 588 HG2 LYS 588 65.341 4.084 5.561 1139 HG3 LYS 588 HG1 LYS 588 65.003 3.675 7.229 1140 HD2 LYS 588 HD2 LYS 588 63.055 3.737 5.482 1141 HD3 LYS 588 HD1 LYS 588 62.786 4.380 7.082 1142 HE2 LYS 588 HE2 LYS 588 62.678 6.572 6.310 1143 HE3 LYS 588 HE1 LYS 588 63.761 6.262 4.973 1144 HZ1 LYS 588 HZ1 LYS 588 60.897 5.877 5.161 1145 HZ2 LYS 588 HZ2 LYS 588 61.758 4.687 4.308 1146 HZ3 LYS 588 HZ3 LYS 588 61.849 6.314 3.827 1147 H GLU 589 HN GLU 589 65.084 4.490 9.668 1148 HA GLU 589 HA GLU 589 67.077 5.885 11.347 1149 HB2 GLU 589 HB2 GLU 589 65.236 6.715 12.517 1150 HB3 GLU 589 HB1 GLU 589 64.272 5.269 12.253 1151 HG2 GLU 589 HG2 GLU 589 65.526 4.041 13.889 1152 HG3 GLU 589 HG1 GLU 589 66.771 5.292 13.980 1153 H GLN 590 HN GLN 590 68.063 4.543 12.857 1154 HA GLN 590 HA GLN 590 67.536 1.688 12.939 1155 HB2 GLN 590 HB2 GLN 590 69.048 2.311 10.816 1156 HB3 GLN 590 HB1 GLN 590 70.316 2.405 12.023 1157 HG2 GLN 590 HG2 GLN 590 70.471 0.156 11.475 1158 HG3 GLN 590 HG1 GLN 590 69.315 0.071 12.802 1159 HE21 GLN 590 HE21 GLN 590 69.796 -1.197 9.817 1160 HE22 GLN 590 HE22 GLN 590 68.190 -1.393 9.305 1161 H ASN 591 HN ASN 591 68.585 0.820 14.805 1162 HA ASN 591 HA ASN 591 69.316 1.037 17.012 1163 HB2 ASN 591 HB2 ASN 591 71.591 2.665 16.826 1164 HB3 ASN 591 HB1 ASN 591 71.564 0.923 16.654 1165 HD21 ASN 591 HD21 ASN 591 70.538 0.455 14.210 1166 HD22 ASN 591 HD22 ASN 591 71.415 1.239 12.991 1167 H ASP 592 HN ASP 592 67.489 3.182 15.884 1168 HA ASP 592 HA ASP 592 66.323 4.922 16.960 1169 HB2 ASP 592 HB2 ASP 592 68.596 5.360 18.879 1170 HB3 ASP 592 HB1 ASP 592 66.873 5.636 19.116 1171 H LYS 593 HN LYS 593 69.351 5.104 15.538 1172 HA LYS 593 HA LYS 593 69.642 8.012 15.766 1173 HB2 LYS 593 HB2 LYS 593 71.131 6.039 14.060 1174 HB3 LYS 593 HB1 LYS 593 71.622 7.679 14.436 1175 HG2 LYS 593 HG2 LYS 593 71.461 6.847 16.929 1176 HG3 LYS 593 HG1 LYS 593 71.601 5.247 16.202 1177 HD2 LYS 593 HD2 LYS 593 73.639 6.092 14.955 1178 HD3 LYS 593 HD1 LYS 593 73.553 7.550 15.940 1179 HE2 LYS 593 HE2 LYS 593 73.677 4.784 17.162 1180 HE3 LYS 593 HE1 LYS 593 75.133 5.704 16.764 1181 HZ1 LYS 593 HZ1 LYS 593 74.405 7.472 18.195 1182 HZ2 LYS 593 HZ2 LYS 593 74.387 6.018 19.075 1183 HZ3 LYS 593 HZ3 LYS 593 72.933 6.688 18.505 1184 HA PRO 594 HA PRO 594 66.841 8.479 12.159 1185 HB2 PRO 594 HB2 PRO 594 68.345 11.032 11.856 1186 HB3 PRO 594 HB1 PRO 594 66.604 10.765 11.932 1187 HG2 PRO 594 HG2 PRO 594 68.048 11.830 13.991 1188 HG3 PRO 594 HG1 PRO 594 66.569 10.889 14.238 1189 HD2 PRO 594 HD2 PRO 594 69.380 10.122 14.815 1190 HD3 PRO 594 HD1 PRO 594 67.869 9.437 15.464 1191 H TYR 595 HN TYR 595 67.203 8.736 9.771 1192 HA TYR 595 HA TYR 595 69.908 8.823 8.697 1193 HB2 TYR 595 HB2 TYR 595 68.502 6.163 9.014 1194 HB3 TYR 595 HB1 TYR 595 69.696 6.410 7.753 1195 HD1 TYR 595 HD1 TYR 595 69.308 5.037 10.884 1196 HD2 TYR 595 HD2 TYR 595 71.922 7.705 8.768 1197 HE1 TYR 595 HE1 TYR 595 71.150 4.469 12.432 1198 HE2 TYR 595 HE2 TYR 595 73.759 7.134 10.340 1199 HH TYR 595 HH TYR 595 74.029 4.663 12.023 1200 H CYS 596 HN CYS 596 69.775 9.202 6.446 1201 HA CYS 596 HA CYS 596 67.115 9.494 5.260 1202 HB2 CYS 596 HB2 CYS 596 69.617 9.233 3.584 1203 HB3 CYS 596 HB1 CYS 596 68.193 10.218 3.296 1204 H GLN 597 HN GLN 597 66.293 8.021 3.545 1205 HA GLN 597 HA GLN 597 66.762 5.279 4.164 1206 HB2 GLN 597 HB2 GLN 597 64.729 5.591 3.050 1207 HB3 GLN 597 HB1 GLN 597 65.396 6.772 1.959 1208 HG2 GLN 597 HG2 GLN 597 65.084 4.967 0.517 1209 HG3 GLN 597 HG1 GLN 597 66.740 4.694 1.018 1210 HE21 GLN 597 HE21 GLN 597 65.720 3.931 3.788 1211 HE22 GLN 597 HE22 GLN 597 65.159 2.356 3.607 1212 H ASN 598 HN ASN 598 67.791 7.217 1.359 1213 HA ASN 598 HA ASN 598 69.571 5.463 0.154 1214 HB2 ASN 598 HB2 ASN 598 70.444 8.315 0.509 1215 HB3 ASN 598 HB1 ASN 598 70.445 7.322 -0.941 1216 HD21 ASN 598 HD21 ASN 598 67.950 6.505 -1.316 1217 HD22 ASN 598 HD22 ASN 598 66.849 7.789 -1.382 1218 H CYS 599 HN CYS 599 69.935 7.206 3.171 1219 HA CYS 599 HA CYS 599 72.775 6.501 3.432 1220 HB2 CYS 599 HB2 CYS 599 70.735 7.913 5.133 1221 HB3 CYS 599 HB1 CYS 599 72.183 7.287 5.903 1222 H PHE 600 HN PHE 600 69.959 5.821 5.495 1223 HA PHE 600 HA PHE 600 70.921 3.687 6.973 1224 HB2 PHE 600 HB2 PHE 600 68.825 4.253 7.721 1225 HB3 PHE 600 HB1 PHE 600 68.289 4.706 6.113 1226 HD1 PHE 600 HD1 PHE 600 68.497 2.001 8.579 1227 HD2 PHE 600 HD2 PHE 600 67.320 3.041 4.593 1228 HE1 PHE 600 HE1 PHE 600 67.175 -0.091 8.427 1229 HE2 PHE 600 HE2 PHE 600 66.003 0.947 4.427 1230 HZ PHE 600 HZ PHE 600 65.929 -0.621 6.348 1231 H LEU 601 HN LEU 601 69.000 3.323 3.994 1232 HA LEU 601 HA LEU 601 69.239 0.564 3.739 1233 HB2 LEU 601 HB2 LEU 601 68.030 0.998 1.867 1234 HB3 LEU 601 HB1 LEU 601 68.249 2.707 2.205 1235 HG LEU 601 HG LEU 601 70.381 2.617 0.850 1236 HD11 LEU 601 HD11 LEU 601 69.760 -0.238 0.874 1237 HD12 LEU 601 HD12 LEU 601 71.223 0.577 0.331 1238 HD13 LEU 601 HD13 LEU 601 69.882 0.352 -0.784 1239 HD21 LEU 601 HD21 LEU 601 68.369 3.493 -0.148 1240 HD22 LEU 601 HD22 LEU 601 67.744 1.869 -0.433 1241 HD23 LEU 601 HD23 LEU 601 69.138 2.448 -1.343 1242 H LYS 602 HN LYS 602 71.538 3.048 2.641 1243 HA LYS 602 HA LYS 602 73.319 1.252 1.341 1244 HB2 LYS 602 HB2 LYS 602 73.331 3.776 1.206 1245 HB3 LYS 602 HB1 LYS 602 74.110 3.790 2.780 1246 HG2 LYS 602 HG2 LYS 602 75.933 3.884 1.335 1247 HG3 LYS 602 HG1 LYS 602 75.828 2.161 1.646 1248 HD2 LYS 602 HD2 LYS 602 74.670 1.800 -0.462 1249 HD3 LYS 602 HD1 LYS 602 74.575 3.538 -0.746 1250 HE2 LYS 602 HE2 LYS 602 76.520 2.093 -1.851 1251 HE3 LYS 602 HE1 LYS 602 76.836 3.722 -1.257 1252 HZ1 LYS 602 HZ1 LYS 602 77.839 2.917 0.652 1253 HZ2 LYS 602 HZ2 LYS 602 78.391 1.842 -0.543 1254 HZ3 LYS 602 HZ3 LYS 602 77.139 1.379 0.508 1255 H LEU 603 HN LEU 603 72.838 1.833 4.766 1256 HA LEU 603 HA LEU 603 75.445 0.569 5.420 1257 HB2 LEU 603 HB2 LEU 603 73.583 1.134 7.658 1258 HB3 LEU 603 HB1 LEU 603 75.288 1.540 7.483 1259 HG LEU 603 HG LEU 603 72.987 2.970 6.143 1260 HD11 LEU 603 HD11 LEU 603 73.387 3.222 8.697 1261 HD12 LEU 603 HD12 LEU 603 73.213 4.677 7.720 1262 HD13 LEU 603 HD13 LEU 603 74.818 4.140 8.217 1263 HD21 LEU 603 HD21 LEU 603 74.551 4.441 5.175 1264 HD22 LEU 603 HD22 LEU 603 75.366 2.896 4.995 1265 HD23 LEU 603 HD23 LEU 603 75.826 3.985 6.296 1266 H PHE 604 HN PHE 604 71.975 -0.080 5.894 1267 HA PHE 604 HA PHE 604 72.681 -2.945 6.472 1268 HB2 PHE 604 HB2 PHE 604 70.044 -1.874 7.386 1269 HB3 PHE 604 HB1 PHE 604 71.135 -3.011 8.180 1270 HD1 PHE 604 HD1 PHE 604 73.178 -2.149 9.386 1271 HD2 PHE 604 HD2 PHE 604 70.184 0.473 7.779 1272 HE1 PHE 604 HE1 PHE 604 74.041 -0.303 10.791 1273 HE2 PHE 604 HE2 PHE 604 71.047 2.322 9.185 1274 HZ PHE 604 HZ PHE 604 72.974 1.934 10.691 1275 H CYS 605 HN CYS 605 72.203 -1.740 3.825 1276 HA CYS 605 HA CYS 605 69.744 -1.913 2.658 1277 HB2 CYS 605 HB2 CYS 605 70.804 -2.316 0.629 1278 HB3 CYS 605 HB1 CYS 605 72.190 -1.832 1.597 1279 HG CYS 605 HG CYS 605 72.077 -4.734 1.945 Start of MODEL 6 1 H MET 1 HT1 MET 1 93.820 -22.469 8.553 2 HA MET 1 HA MET 1 93.880 -21.707 5.741 3 HB2 MET 1 HB2 MET 1 95.001 -20.672 7.942 4 HB3 MET 1 HB1 MET 1 96.254 -21.852 7.588 5 HG2 MET 1 HG2 MET 1 95.344 -19.504 5.938 6 HG3 MET 1 HG1 MET 1 96.979 -19.952 6.409 7 HE1 MET 1 HE1 MET 1 96.609 -19.003 3.676 8 HE2 MET 1 HE2 MET 1 94.917 -19.471 3.521 9 HE3 MET 1 HE3 MET 1 96.107 -20.112 2.391 10 H ALA 2 HN ALA 2 96.842 -22.746 6.144 11 HA ALA 2 HA ALA 2 96.373 -25.648 5.641 12 HB1 ALA 2 HB1 ALA 2 98.044 -23.938 3.785 13 HB2 ALA 2 HB2 ALA 2 96.359 -24.339 3.448 14 HB3 ALA 2 HB3 ALA 2 97.565 -25.621 3.560 15 H LEU 3 HN LEU 3 98.872 -23.118 5.611 16 HA LEU 3 HA LEU 3 101.155 -24.527 6.263 17 HB2 LEU 3 HB2 LEU 3 100.125 -21.878 7.284 18 HB3 LEU 3 HB1 LEU 3 101.744 -22.454 7.675 19 HG LEU 3 HG LEU 3 100.685 -22.183 4.847 20 HD11 LEU 3 HD11 LEU 3 102.214 -20.151 4.797 21 HD12 LEU 3 HD12 LEU 3 102.299 -20.273 6.554 22 HD13 LEU 3 HD13 LEU 3 100.752 -19.967 5.766 23 HD21 LEU 3 HD21 LEU 3 103.303 -22.995 6.077 24 HD22 LEU 3 HD22 LEU 3 103.351 -22.078 4.573 25 HD23 LEU 3 HD23 LEU 3 102.496 -23.613 4.637 26 H ASP 4 HN ASP 4 99.620 -22.745 8.820 27 HA ASP 4 HA ASP 4 99.346 -23.202 11.078 28 HB2 ASP 4 HB2 ASP 4 97.516 -24.555 10.252 29 HB3 ASP 4 HB1 ASP 4 98.625 -25.862 9.846 30 H GLY 5 HN GLY 5 101.955 -24.025 9.570 31 HA2 GLY 5 HA2 GLY 5 103.138 -26.194 11.028 32 HA3 GLY 5 HA1 GLY 5 104.031 -24.885 10.241 33 H ILE 6 HN ILE 6 102.098 -23.151 11.819 34 HA ILE 6 HA ILE 6 103.666 -23.013 14.363 35 HB ILE 6 HB ILE 6 102.530 -20.532 14.067 36 HG12 ILE 6 HG12 ILE 6 101.682 -21.404 11.781 37 HG13 ILE 6 HG11 ILE 6 102.463 -19.833 11.818 38 HG21 ILE 6 HG21 ILE 6 105.187 -21.649 13.229 39 HG22 ILE 6 HG22 ILE 6 104.805 -20.563 14.564 40 HG23 ILE 6 HG23 ILE 6 104.821 -19.955 12.910 41 HD11 ILE 6 HD11 ILE 6 104.213 -20.536 10.546 42 HD12 ILE 6 HD12 ILE 6 103.120 -21.836 10.080 43 HD13 ILE 6 HD13 ILE 6 104.314 -22.104 11.345 44 H ARG 7 HN ARG 7 100.848 -21.052 14.206 45 HA ARG 7 HA ARG 7 98.955 -22.958 14.978 46 HB2 ARG 7 HB2 ARG 7 100.725 -22.729 16.960 47 HB3 ARG 7 HB1 ARG 7 99.809 -21.360 17.376 48 HG2 ARG 7 HG2 ARG 7 98.761 -23.097 18.567 49 HG3 ARG 7 HG1 ARG 7 97.772 -22.883 17.121 50 HD2 ARG 7 HD2 ARG 7 98.094 -25.175 17.010 51 HD3 ARG 7 HD1 ARG 7 99.482 -24.580 16.085 52 HE ARG 7 HE ARG 7 100.505 -24.690 18.615 53 HH11 ARG 7 HH11 ARG 7 101.408 -26.531 19.559 54 HH12 ARG 7 HH12 ARG 7 100.894 -28.100 19.034 55 HH21 ARG 7 HH21 ARG 7 98.646 -26.872 16.697 56 HH22 ARG 7 HH22 ARG 7 99.332 -28.292 17.413 57 H MET 8 HN MET 8 99.247 -20.009 16.752 58 HA MET 8 HA MET 8 96.973 -18.917 15.157 59 HB2 MET 8 HB2 MET 8 97.005 -17.890 17.886 60 HB3 MET 8 HB1 MET 8 95.726 -18.710 17.014 61 HG2 MET 8 HG2 MET 8 97.168 -20.880 17.471 62 HG3 MET 8 HG1 MET 8 97.853 -19.919 18.755 63 HE1 MET 8 HE1 MET 8 96.738 -18.816 20.536 64 HE2 MET 8 HE2 MET 8 95.080 -19.034 21.091 65 HE3 MET 8 HE3 MET 8 95.405 -18.023 19.685 66 HA PRO 9 HA PRO 9 99.387 -14.944 16.562 67 HB2 PRO 9 HB2 PRO 9 102.064 -16.179 17.122 68 HB3 PRO 9 HB1 PRO 9 101.276 -14.793 17.912 69 HG2 PRO 9 HG2 PRO 9 101.326 -17.068 19.170 70 HG3 PRO 9 HG1 PRO 9 99.793 -16.165 19.075 71 HD2 PRO 9 HD2 PRO 9 100.646 -18.525 17.394 72 HD3 PRO 9 HD1 PRO 9 99.146 -18.263 18.279 73 H ASP 10 HN ASP 10 101.245 -17.549 15.125 74 HA ASP 10 HA ASP 10 101.941 -15.791 12.792 75 HB2 ASP 10 HB2 ASP 10 103.816 -16.829 14.194 76 HB3 ASP 10 HB1 ASP 10 103.274 -18.384 13.576 77 H GLY 11 HN GLY 11 100.361 -18.626 13.925 78 HA2 GLY 11 HA2 GLY 11 100.043 -19.831 11.276 79 HA3 GLY 11 HA1 GLY 11 99.274 -20.383 12.773 80 H CYS 12 HN CYS 12 98.751 -17.184 12.822 81 HA CYS 12 HA CYS 12 96.726 -16.763 10.833 82 HB2 CYS 12 HB2 CYS 12 95.409 -18.379 12.002 83 HB3 CYS 12 HB1 CYS 12 95.861 -17.698 13.563 84 HG CYS 12 HG CYS 12 93.609 -16.683 11.786 85 H TYR 13 HN TYR 13 96.302 -15.910 14.238 86 HA TYR 13 HA TYR 13 97.737 -13.442 14.224 87 HB2 TYR 13 HB2 TYR 13 95.744 -13.063 12.520 88 HB3 TYR 13 HB1 TYR 13 94.764 -12.928 13.976 89 HD1 TYR 13 HD1 TYR 13 97.422 -11.394 11.959 90 HD2 TYR 13 HD2 TYR 13 95.158 -11.114 15.599 91 HE1 TYR 13 HE1 TYR 13 98.206 -9.061 12.267 92 HE2 TYR 13 HE2 TYR 13 95.943 -8.782 15.906 93 HH TYR 13 HH TYR 13 98.457 -7.504 14.624 94 H ALA 14 HN ALA 14 94.466 -14.379 15.280 95 HA ALA 14 HA ALA 14 95.232 -15.019 17.968 96 HB1 ALA 14 HB1 ALA 14 95.622 -12.652 18.260 97 HB2 ALA 14 HB2 ALA 14 94.090 -13.031 19.047 98 HB3 ALA 14 HB3 ALA 14 94.099 -12.255 17.463 99 H ASP 15 HN ASP 15 92.617 -13.577 16.040 100 HA ASP 15 HA ASP 15 90.895 -15.873 16.785 101 HB2 ASP 15 HB2 ASP 15 90.543 -13.915 18.407 102 HB3 ASP 15 HB1 ASP 15 89.872 -13.039 17.031 103 H GLY 16 HN GLY 16 92.167 -13.973 14.451 104 HA2 GLY 16 HA2 GLY 16 91.656 -14.213 12.105 105 HA3 GLY 16 HA1 GLY 16 89.999 -14.647 12.532 106 H THR 17 HN THR 17 91.297 -12.018 14.277 107 HA THR 17 HA THR 17 89.454 -10.169 12.868 108 HB THR 17 HB THR 17 90.118 -8.653 14.804 109 HG1 THR 17 HG1 THR 17 92.091 -9.910 15.169 110 HG21 THR 17 HG21 THR 17 88.751 -9.869 16.426 111 HG22 THR 17 HG22 THR 17 88.970 -11.361 15.507 112 HG23 THR 17 HG23 THR 17 88.063 -10.016 14.809 113 H TRP 18 HN TRP 18 90.254 -8.879 11.355 114 HA TRP 18 HA TRP 18 93.098 -7.955 11.520 115 HB2 TRP 18 HB2 TRP 18 92.437 -7.847 8.805 116 HB3 TRP 18 HB1 TRP 18 93.442 -9.073 9.562 117 HD1 TRP 18 HD1 TRP 18 89.721 -8.450 8.739 118 HE1 TRP 18 HE1 TRP 18 88.610 -10.738 8.314 119 HE3 TRP 18 HE3 TRP 18 93.637 -11.547 9.809 120 HZ2 TRP 18 HZ2 TRP 18 89.292 -13.515 8.414 121 HZ3 TRP 18 HZ3 TRP 18 93.381 -14.007 9.637 122 HH2 TRP 18 HH2 TRP 18 91.214 -14.994 8.942 123 H GLU 19 HN GLU 19 93.173 -5.794 11.703 124 HA GLU 19 HA GLU 19 90.731 -4.226 11.333 125 HB2 GLU 19 HB2 GLU 19 92.824 -2.393 11.761 126 HB3 GLU 19 HB1 GLU 19 91.754 -3.043 12.995 127 HG2 GLU 19 HG2 GLU 19 94.109 -3.363 13.605 128 HG3 GLU 19 HG1 GLU 19 93.297 -4.910 13.363 129 H LEU 20 HN LEU 20 90.196 -3.095 9.542 130 HA LEU 20 HA LEU 20 92.008 -3.244 7.239 131 HB2 LEU 20 HB2 LEU 20 89.202 -3.117 7.581 132 HB3 LEU 20 HB1 LEU 20 89.615 -1.570 6.858 133 HG LEU 20 HG LEU 20 89.163 -3.027 5.044 134 HD11 LEU 20 HD11 LEU 20 92.112 -3.440 4.964 135 HD12 LEU 20 HD12 LEU 20 91.557 -1.778 5.176 136 HD13 LEU 20 HD13 LEU 20 91.029 -2.715 3.781 137 HD21 LEU 20 HD21 LEU 20 90.689 -5.047 6.671 138 HD22 LEU 20 HD22 LEU 20 90.580 -5.249 4.925 139 HD23 LEU 20 HD23 LEU 20 89.113 -5.191 5.896 140 H SER 21 HN SER 21 93.311 -1.584 6.607 141 HA SER 21 HA SER 21 93.535 0.718 8.378 142 HB2 SER 21 HB2 SER 21 95.389 -0.579 6.996 143 HB3 SER 21 HB1 SER 21 94.955 0.585 5.747 144 HG SER 21 HG SER 21 95.682 2.190 6.973 145 H VAL 22 HN VAL 22 93.101 2.849 7.892 146 HA VAL 22 HA VAL 22 91.778 3.432 5.299 147 HB VAL 22 HB VAL 22 90.610 3.969 8.035 148 HG11 VAL 22 HG11 VAL 22 88.874 5.311 6.714 149 HG12 VAL 22 HG12 VAL 22 90.044 5.346 5.393 150 HG13 VAL 22 HG13 VAL 22 90.434 6.099 6.940 151 HG21 VAL 22 HG21 VAL 22 89.556 2.774 5.455 152 HG22 VAL 22 HG22 VAL 22 88.605 3.000 6.927 153 HG23 VAL 22 HG23 VAL 22 89.973 1.879 6.924 154 H HIS 23 HN HIS 23 93.186 4.816 4.445 155 HA HIS 23 HA HIS 23 94.690 6.724 6.073 156 HB2 HIS 23 HB2 HIS 23 94.451 6.037 3.162 157 HB3 HIS 23 HB1 HIS 23 95.178 7.583 3.600 158 HD1 HIS 23 HD1 HIS 23 97.600 6.993 3.031 159 HD2 HIS 23 HD2 HIS 23 95.855 4.274 5.665 160 HE1 HIS 23 HE1 HIS 23 99.471 5.505 3.868 161 H VAL 24 HN VAL 24 93.372 8.245 7.009 162 HA VAL 24 HA VAL 24 91.036 9.277 5.692 163 HB VAL 24 HB VAL 24 92.493 10.701 7.908 164 HG11 VAL 24 HG11 VAL 24 90.261 11.470 6.861 165 HG12 VAL 24 HG12 VAL 24 90.290 11.311 8.616 166 HG13 VAL 24 HG13 VAL 24 89.550 10.053 7.630 167 HG21 VAL 24 HG21 VAL 24 92.648 8.443 8.656 168 HG22 VAL 24 HG22 VAL 24 91.033 8.060 8.054 169 HG23 VAL 24 HG23 VAL 24 91.226 9.106 9.461 170 H THR 25 HN THR 25 91.304 10.340 3.814 171 HA THR 25 HA THR 25 93.723 11.782 3.175 172 HB THR 25 HB THR 25 92.728 12.160 1.056 173 HG1 THR 25 HG1 THR 25 90.779 12.895 1.086 174 HG21 THR 25 HG21 THR 25 93.050 9.714 1.798 175 HG22 THR 25 HG22 THR 25 92.005 9.987 0.402 176 HG23 THR 25 HG23 THR 25 91.298 9.670 1.988 177 H ASP 26 HN ASP 26 90.368 13.060 3.302 178 HA ASP 26 HA ASP 26 90.976 15.771 3.250 179 HB2 ASP 26 HB2 ASP 26 88.671 14.605 3.397 180 HB3 ASP 26 HB1 ASP 26 88.881 14.700 5.145 181 H LEU 27 HN LEU 27 91.885 13.553 5.656 182 HA LEU 27 HA LEU 27 92.436 15.726 7.655 183 HB2 LEU 27 HB2 LEU 27 91.851 12.826 7.819 184 HB3 LEU 27 HB1 LEU 27 92.877 13.483 9.056 185 HG LEU 27 HG LEU 27 90.544 13.465 9.755 186 HD11 LEU 27 HD11 LEU 27 90.589 15.500 10.786 187 HD12 LEU 27 HD12 LEU 27 90.969 16.377 9.307 188 HD13 LEU 27 HD13 LEU 27 92.238 15.498 10.165 189 HD21 LEU 27 HD21 LEU 27 88.824 14.583 8.581 190 HD22 LEU 27 HD22 LEU 27 89.722 13.683 7.361 191 HD23 LEU 27 HD23 LEU 27 89.977 15.418 7.543 192 H ASN 28 HN ASN 28 93.717 12.777 6.238 193 HA ASN 28 HA ASN 28 95.923 12.434 5.351 194 HB2 ASN 28 HB2 ASN 28 96.429 14.942 5.794 195 HB3 ASN 28 HB1 ASN 28 97.036 14.408 7.359 196 HD21 ASN 28 HD21 ASN 28 97.765 11.765 5.931 197 HD22 ASN 28 HD22 ASN 28 99.248 12.114 5.192 198 H ARG 29 HN ARG 29 94.309 11.745 7.963 199 HA ARG 29 HA ARG 29 96.513 10.660 9.602 200 HB2 ARG 29 HB2 ARG 29 93.529 10.464 9.996 201 HB3 ARG 29 HB1 ARG 29 94.763 10.045 11.178 202 HG2 ARG 29 HG2 ARG 29 95.318 12.257 11.611 203 HG3 ARG 29 HG1 ARG 29 94.791 12.827 10.044 204 HD2 ARG 29 HD2 ARG 29 93.093 13.638 11.431 205 HD3 ARG 29 HD1 ARG 29 92.391 12.110 10.898 206 HE ARG 29 HE ARG 29 93.434 12.708 13.601 207 HH11 ARG 29 HH11 ARG 29 92.951 11.159 15.158 208 HH12 ARG 29 HH12 ARG 29 92.295 9.631 14.673 209 HH21 ARG 29 HH21 ARG 29 92.300 10.391 11.295 210 HH22 ARG 29 HH22 ARG 29 91.930 9.198 12.492 211 H ASP 30 HN ASP 30 95.700 8.411 10.530 212 HA ASP 30 HA ASP 30 94.755 6.649 8.340 213 HB2 ASP 30 HB2 ASP 30 97.322 6.301 9.908 214 HB3 ASP 30 HB1 ASP 30 96.541 4.990 9.022 215 H VAL 31 HN VAL 31 93.048 5.666 9.157 216 HA VAL 31 HA VAL 31 93.026 5.001 12.084 217 HB VAL 31 HB VAL 31 90.662 5.377 10.222 218 HG11 VAL 31 HG11 VAL 31 90.978 4.940 13.200 219 HG12 VAL 31 HG12 VAL 31 90.137 3.906 12.046 220 HG13 VAL 31 HG13 VAL 31 89.476 5.489 12.460 221 HG21 VAL 31 HG21 VAL 31 92.148 7.463 10.812 222 HG22 VAL 31 HG22 VAL 31 91.502 7.267 12.439 223 HG23 VAL 31 HG23 VAL 31 90.411 7.575 11.090 224 H THR 32 HN THR 32 92.067 2.994 12.666 225 HA THR 32 HA THR 32 91.882 0.958 10.483 226 HB THR 32 HB THR 32 93.019 -0.302 12.800 227 HG1 THR 32 HG1 THR 32 94.390 2.049 12.029 228 HG21 THR 32 HG21 THR 32 94.750 -0.957 11.351 229 HG22 THR 32 HG22 THR 32 94.640 0.524 10.401 230 HG23 THR 32 HG23 THR 32 93.391 -0.713 10.254 231 H LEU 33 HN LEU 33 90.165 -0.378 10.738 232 HA LEU 33 HA LEU 33 88.586 -0.220 13.280 233 HB2 LEU 33 HB2 LEU 33 87.866 -0.398 10.371 234 HB3 LEU 33 HB1 LEU 33 86.762 -1.068 11.552 235 HG LEU 33 HG LEU 33 86.371 1.370 10.828 236 HD11 LEU 33 HD11 LEU 33 85.482 1.959 12.918 237 HD12 LEU 33 HD12 LEU 33 86.749 1.117 13.810 238 HD13 LEU 33 HD13 LEU 33 85.504 0.198 12.961 239 HD21 LEU 33 HD21 LEU 33 87.730 3.082 11.744 240 HD22 LEU 33 HD22 LEU 33 88.868 1.924 11.062 241 HD23 LEU 33 HD23 LEU 33 88.580 1.971 12.800 242 H ARG 34 HN ARG 34 88.935 -2.031 14.421 243 HA ARG 34 HA ARG 34 89.970 -4.480 13.456 244 HB2 ARG 34 HB2 ARG 34 89.893 -3.708 15.871 245 HB3 ARG 34 HB1 ARG 34 88.182 -4.124 15.867 246 HG2 ARG 34 HG2 ARG 34 89.364 -6.028 16.749 247 HG3 ARG 34 HG1 ARG 34 88.818 -6.446 15.126 248 HD2 ARG 34 HD2 ARG 34 90.952 -6.444 14.256 249 HD3 ARG 34 HD1 ARG 34 91.549 -5.235 15.390 250 HE ARG 34 HE ARG 34 90.880 -7.702 16.744 251 HH11 ARG 34 HH11 ARG 34 92.617 -8.931 17.503 252 HH12 ARG 34 HH12 ARG 34 94.207 -8.634 16.884 253 HH21 ARG 34 HH21 ARG 34 93.192 -6.094 14.753 254 HH22 ARG 34 HH22 ARG 34 94.532 -7.029 15.326 255 H VAL 35 HN VAL 35 88.927 -5.552 11.862 256 HA VAL 35 HA VAL 35 86.041 -6.238 12.279 257 HB VAL 35 HB VAL 35 85.798 -6.062 9.783 258 HG11 VAL 35 HG11 VAL 35 85.805 -3.509 9.811 259 HG12 VAL 35 HG12 VAL 35 86.507 -3.621 11.428 260 HG13 VAL 35 HG13 VAL 35 84.899 -4.280 11.113 261 HG21 VAL 35 HG21 VAL 35 88.495 -4.704 10.051 262 HG22 VAL 35 HG22 VAL 35 87.484 -4.649 8.610 263 HG23 VAL 35 HG23 VAL 35 88.152 -6.185 9.160 264 H THR 36 HN THR 36 85.630 -7.845 10.190 265 HA THR 36 HA THR 36 87.819 -9.850 10.075 266 HB THR 36 HB THR 36 86.014 -11.627 10.476 267 HG1 THR 36 HG1 THR 36 84.728 -9.351 11.575 268 HG21 THR 36 HG21 THR 36 87.593 -11.419 12.195 269 HG22 THR 36 HG22 THR 36 86.056 -11.191 13.023 270 HG23 THR 36 HG23 THR 36 87.054 -9.798 12.623 271 H GLY 37 HN GLY 37 87.021 -11.600 8.395 272 HA2 GLY 37 HA2 GLY 37 86.159 -10.117 6.052 273 HA3 GLY 37 HA1 GLY 37 86.600 -11.816 6.076 274 H GLU 38 HN GLU 38 84.162 -10.007 7.904 275 HA GLU 38 HA GLU 38 81.993 -11.428 6.490 276 HB2 GLU 38 HB2 GLU 38 80.987 -12.063 8.737 277 HB3 GLU 38 HB1 GLU 38 82.405 -12.990 8.250 278 HG2 GLU 38 HG2 GLU 38 83.824 -11.846 9.734 279 HG3 GLU 38 HG1 GLU 38 82.689 -10.512 9.941 280 H VAL 39 HN VAL 39 83.243 -8.606 7.608 281 HA VAL 39 HA VAL 39 80.711 -7.502 8.653 282 HB VAL 39 HB VAL 39 81.928 -5.607 9.286 283 HG11 VAL 39 HG11 VAL 39 83.691 -6.487 10.581 284 HG12 VAL 39 HG12 VAL 39 84.068 -7.716 9.372 285 HG13 VAL 39 HG13 VAL 39 82.600 -7.848 10.337 286 HG21 VAL 39 HG21 VAL 39 83.996 -6.430 7.229 287 HG22 VAL 39 HG22 VAL 39 84.248 -5.142 8.404 288 HG23 VAL 39 HG23 VAL 39 82.986 -4.981 7.194 289 H HIS 40 HN HIS 40 79.472 -5.964 7.560 290 HA HIS 40 HA HIS 40 79.790 -5.938 4.627 291 HB2 HIS 40 HB2 HIS 40 77.666 -4.442 4.858 292 HB3 HIS 40 HB1 HIS 40 77.531 -6.150 5.273 293 HD1 HIS 40 HD1 HIS 40 77.930 -6.670 7.948 294 HD2 HIS 40 HD2 HIS 40 76.909 -2.761 6.920 295 HE1 HIS 40 HE1 HIS 40 77.116 -5.560 10.074 296 H ILE 41 HN ILE 41 80.244 -4.022 3.405 297 HA ILE 41 HA ILE 41 82.093 -2.170 4.409 298 HB ILE 41 HB ILE 41 79.986 -1.560 2.317 299 HG12 ILE 41 HG12 ILE 41 82.753 -2.734 1.913 300 HG13 ILE 41 HG11 ILE 41 81.273 -3.693 1.924 301 HG21 ILE 41 HG21 ILE 41 82.760 -0.447 2.829 302 HG22 ILE 41 HG22 ILE 41 81.234 0.410 3.046 303 HG23 ILE 41 HG23 ILE 41 81.761 -0.058 1.426 304 HD11 ILE 41 HD11 ILE 41 80.694 -3.028 -0.157 305 HD12 ILE 41 HD12 ILE 41 82.363 -2.490 -0.312 306 HD13 ILE 41 HD13 ILE 41 81.105 -1.342 0.151 307 H GLY 42 HN GLY 42 78.602 -1.687 4.007 308 HA2 GLY 42 HA2 GLY 42 78.364 0.841 5.223 309 HA3 GLY 42 HA1 GLY 42 77.092 -0.376 5.221 310 H GLY 43 HN GLY 43 79.244 -2.155 6.507 311 HA2 GLY 43 HA2 GLY 43 78.382 -1.671 9.252 312 HA3 GLY 43 HA1 GLY 43 79.489 -2.939 8.713 313 H VAL 44 HN VAL 44 81.196 -1.039 7.285 314 HA VAL 44 HA VAL 44 82.852 -0.186 9.562 315 HB VAL 44 HB VAL 44 83.192 -0.378 6.566 316 HG11 VAL 44 HG11 VAL 44 84.907 1.224 8.489 317 HG12 VAL 44 HG12 VAL 44 84.198 1.764 6.967 318 HG13 VAL 44 HG13 VAL 44 85.528 0.606 6.958 319 HG21 VAL 44 HG21 VAL 44 85.149 -1.723 7.242 320 HG22 VAL 44 HG22 VAL 44 83.674 -2.330 7.994 321 HG23 VAL 44 HG23 VAL 44 84.811 -1.366 8.936 322 H MET 45 HN MET 45 81.100 1.346 6.834 323 HA MET 45 HA MET 45 81.796 4.033 7.217 324 HB2 MET 45 HB2 MET 45 79.249 2.655 6.394 325 HB3 MET 45 HB1 MET 45 79.194 4.388 6.680 326 HG2 MET 45 HG2 MET 45 80.154 4.813 4.660 327 HG3 MET 45 HG1 MET 45 81.489 3.729 4.998 328 HE1 MET 45 HE1 MET 45 77.877 3.919 3.083 329 HE2 MET 45 HE2 MET 45 77.812 3.617 4.817 330 HE3 MET 45 HE3 MET 45 77.364 2.334 3.684 331 H LEU 46 HN LEU 46 79.567 2.027 9.067 332 HA LEU 46 HA LEU 46 78.595 4.159 10.753 333 HB2 LEU 46 HB2 LEU 46 77.693 1.698 10.316 334 HB3 LEU 46 HB1 LEU 46 78.705 1.303 11.701 335 HG LEU 46 HG LEU 46 77.504 3.399 12.806 336 HD11 LEU 46 HD11 LEU 46 75.117 3.528 12.038 337 HD12 LEU 46 HD12 LEU 46 75.552 2.546 10.641 338 HD13 LEU 46 HD13 LEU 46 76.267 4.147 10.856 339 HD21 LEU 46 HD21 LEU 46 77.286 1.171 13.718 340 HD22 LEU 46 HD22 LEU 46 76.220 0.682 12.400 341 HD23 LEU 46 HD23 LEU 46 75.667 1.860 13.592 342 H LYS 47 HN LYS 47 80.815 1.457 11.576 343 HA LYS 47 HA LYS 47 81.611 2.400 14.092 344 HB2 LYS 47 HB2 LYS 47 83.441 0.974 12.155 345 HB3 LYS 47 HB1 LYS 47 83.546 0.981 13.914 346 HG2 LYS 47 HG2 LYS 47 81.498 -0.261 14.124 347 HG3 LYS 47 HG1 LYS 47 81.159 -0.088 12.406 348 HD2 LYS 47 HD2 LYS 47 83.324 -1.341 11.956 349 HD3 LYS 47 HD1 LYS 47 83.387 -1.689 13.683 350 HE2 LYS 47 HE2 LYS 47 80.992 -2.370 11.962 351 HE3 LYS 47 HE1 LYS 47 82.322 -3.495 12.241 352 HZ1 LYS 47 HZ1 LYS 47 81.320 -2.271 14.642 353 HZ2 LYS 47 HZ2 LYS 47 81.634 -3.906 14.305 354 HZ3 LYS 47 HZ3 LYS 47 80.158 -3.206 13.836 355 H LEU 48 HN LEU 48 83.530 2.844 11.085 356 HA LEU 48 HA LEU 48 85.541 4.429 12.096 357 HB2 LEU 48 HB2 LEU 48 85.422 3.724 9.731 358 HB3 LEU 48 HB1 LEU 48 84.128 4.884 9.453 359 HG LEU 48 HG LEU 48 85.762 6.711 10.186 360 HD11 LEU 48 HD11 LEU 48 87.428 5.376 11.350 361 HD12 LEU 48 HD12 LEU 48 88.174 6.097 9.927 362 HD13 LEU 48 HD13 LEU 48 87.694 4.403 9.904 363 HD21 LEU 48 HD21 LEU 48 86.354 4.994 7.774 364 HD22 LEU 48 HD22 LEU 48 87.041 6.597 8.030 365 HD23 LEU 48 HD23 LEU 48 85.295 6.406 7.843 366 H VAL 49 HN VAL 49 82.329 5.586 11.123 367 HA VAL 49 HA VAL 49 82.869 8.347 11.807 368 HB VAL 49 HB VAL 49 80.350 6.757 11.316 369 HG11 VAL 49 HG11 VAL 49 79.633 8.406 12.909 370 HG12 VAL 49 HG12 VAL 49 79.180 9.002 11.317 371 HG13 VAL 49 HG13 VAL 49 80.599 9.660 12.130 372 HG21 VAL 49 HG21 VAL 49 80.275 7.950 9.259 373 HG22 VAL 49 HG22 VAL 49 81.967 7.497 9.461 374 HG23 VAL 49 HG23 VAL 49 81.446 9.144 9.822 375 H GLU 50 HN GLU 50 81.172 5.691 13.504 376 HA GLU 50 HA GLU 50 80.277 6.973 15.789 377 HB2 GLU 50 HB2 GLU 50 81.586 4.276 15.453 378 HB3 GLU 50 HB1 GLU 50 80.977 4.804 17.016 379 HG2 GLU 50 HG2 GLU 50 79.296 4.762 14.495 380 HG3 GLU 50 HG1 GLU 50 79.337 3.443 15.663 381 H LYS 51 HN LYS 51 83.602 6.048 15.038 382 HA LYS 51 HA LYS 51 84.661 6.800 17.610 383 HB2 LYS 51 HB2 LYS 51 86.085 6.585 14.955 384 HB3 LYS 51 HB1 LYS 51 86.832 6.564 16.555 385 HG2 LYS 51 HG2 LYS 51 85.328 4.580 17.097 386 HG3 LYS 51 HG1 LYS 51 84.943 4.519 15.381 387 HD2 LYS 51 HD2 LYS 51 87.620 4.089 16.715 388 HD3 LYS 51 HD1 LYS 51 86.718 2.980 15.699 389 HE2 LYS 51 HE2 LYS 51 88.408 3.791 14.268 390 HE3 LYS 51 HE1 LYS 51 87.003 4.761 13.842 391 HZ1 LYS 51 HZ1 LYS 51 88.570 5.831 16.010 392 HZ2 LYS 51 HZ2 LYS 51 87.934 6.610 14.641 393 HZ3 LYS 51 HZ3 LYS 51 89.400 5.757 14.532 394 H LEU 52 HN LEU 52 84.131 8.493 14.560 395 HA LEU 52 HA LEU 52 85.635 10.840 15.160 396 HB2 LEU 52 HB2 LEU 52 84.424 9.963 12.944 397 HB3 LEU 52 HB1 LEU 52 83.102 10.960 13.542 398 HG LEU 52 HG LEU 52 84.979 12.785 13.829 399 HD11 LEU 52 HD11 LEU 52 86.197 11.285 11.513 400 HD12 LEU 52 HD12 LEU 52 86.732 10.972 13.160 401 HD13 LEU 52 HD13 LEU 52 86.895 12.587 12.475 402 HD21 LEU 52 HD21 LEU 52 84.484 13.648 11.625 403 HD22 LEU 52 HD22 LEU 52 83.041 12.810 12.188 404 HD23 LEU 52 HD23 LEU 52 84.110 12.035 11.022 405 H ASP 53 HN ASP 53 82.112 10.528 15.132 406 HA ASP 53 HA ASP 53 80.468 11.359 16.540 407 HB2 ASP 53 HB2 ASP 53 82.138 10.311 18.202 408 HB3 ASP 53 HB1 ASP 53 82.596 11.963 18.569 409 H VAL 54 HN VAL 54 80.398 13.099 14.997 410 HA VAL 54 HA VAL 54 80.487 15.664 16.279 411 HB VAL 54 HB VAL 54 82.848 15.544 15.922 412 HG11 VAL 54 HG11 VAL 54 83.747 15.091 13.630 413 HG12 VAL 54 HG12 VAL 54 82.103 14.711 13.115 414 HG13 VAL 54 HG13 VAL 54 82.892 13.719 14.345 415 HG21 VAL 54 HG21 VAL 54 81.750 17.135 13.583 416 HG22 VAL 54 HG22 VAL 54 83.219 17.458 14.502 417 HG23 VAL 54 HG23 VAL 54 81.641 17.685 15.254 418 H LYS 55 HN LYS 55 79.389 17.256 15.039 419 HA LYS 55 HA LYS 55 77.567 16.202 13.081 420 HB2 LYS 55 HB2 LYS 55 77.500 18.349 14.717 421 HB3 LYS 55 HB1 LYS 55 78.048 19.161 13.261 422 HG2 LYS 55 HG2 LYS 55 75.745 17.344 12.768 423 HG3 LYS 55 HG1 LYS 55 75.383 18.622 13.909 424 HD2 LYS 55 HD2 LYS 55 76.307 20.275 12.229 425 HD3 LYS 55 HD1 LYS 55 76.396 18.946 11.073 426 HE2 LYS 55 HE2 LYS 55 74.292 19.973 10.665 427 HE3 LYS 55 HE1 LYS 55 73.918 18.532 11.611 428 HZ1 LYS 55 HZ1 LYS 55 73.791 19.850 13.589 429 HZ2 LYS 55 HZ2 LYS 55 72.782 20.548 12.413 430 HZ3 LYS 55 HZ3 LYS 55 74.293 21.243 12.760 431 H LYS 56 HN LYS 56 80.368 15.836 12.361 432 HA LYS 56 HA LYS 56 81.002 17.728 10.239 433 HB2 LYS 56 HB2 LYS 56 82.689 16.383 11.588 434 HB3 LYS 56 HB1 LYS 56 82.180 14.967 10.669 435 HG2 LYS 56 HG2 LYS 56 82.878 15.987 8.590 436 HG3 LYS 56 HG1 LYS 56 83.178 17.530 9.388 437 HD2 LYS 56 HD2 LYS 56 84.884 16.282 10.839 438 HD3 LYS 56 HD1 LYS 56 84.722 14.949 9.696 439 HE2 LYS 56 HE2 LYS 56 86.609 16.327 9.022 440 HE3 LYS 56 HE1 LYS 56 85.308 16.533 7.847 441 HZ1 LYS 56 HZ1 LYS 56 86.556 18.489 9.412 442 HZ2 LYS 56 HZ2 LYS 56 84.932 18.390 9.901 443 HZ3 LYS 56 HZ3 LYS 56 85.315 18.690 8.273 444 H ASP 57 HN ASP 57 81.270 16.929 7.954 445 HA ASP 57 HA ASP 57 78.823 15.614 7.095 446 HB2 ASP 57 HB2 ASP 57 81.176 16.270 5.317 447 HB3 ASP 57 HB1 ASP 57 79.462 16.233 4.908 448 H TRP 58 HN TRP 58 79.000 13.474 7.884 449 HA TRP 58 HA TRP 58 81.326 11.829 7.390 450 HB2 TRP 58 HB2 TRP 58 78.474 11.012 7.974 451 HB3 TRP 58 HB1 TRP 58 79.893 9.990 8.141 452 HD1 TRP 58 HD1 TRP 58 81.750 12.210 9.614 453 HE1 TRP 58 HE1 TRP 58 81.242 12.760 12.078 454 HE3 TRP 58 HE3 TRP 58 76.915 10.600 9.909 455 HZ2 TRP 58 HZ2 TRP 58 79.074 12.539 13.934 456 HZ3 TRP 58 HZ3 TRP 58 75.657 10.782 12.032 457 HH2 TRP 58 HH2 TRP 58 76.728 11.752 14.044 458 H SER 59 HN SER 59 78.063 11.941 5.980 459 HA SER 59 HA SER 59 78.281 10.004 4.002 460 HB2 SER 59 HB2 SER 59 76.568 11.200 2.825 461 HB3 SER 59 HB1 SER 59 76.293 11.449 4.540 462 HG SER 59 HG SER 59 77.091 13.478 4.380 463 H ASP 60 HN ASP 60 79.439 13.364 3.863 464 HA ASP 60 HA ASP 60 80.283 13.420 1.175 465 HB2 ASP 60 HB2 ASP 60 80.362 15.418 2.562 466 HB3 ASP 60 HB1 ASP 60 81.556 14.673 3.626 467 H HIS 61 HN HIS 61 81.237 11.270 3.544 468 HA HIS 61 HA HIS 61 83.836 10.712 2.197 469 HB2 HIS 61 HB2 HIS 61 84.811 10.570 4.240 470 HB3 HIS 61 HB1 HIS 61 83.361 11.319 4.881 471 HD1 HIS 61 HD1 HIS 61 84.655 7.815 4.087 472 HD2 HIS 61 HD2 HIS 61 82.032 9.709 6.715 473 HE1 HIS 61 HE1 HIS 61 83.824 6.033 5.684 474 H ALA 62 HN ALA 62 84.438 8.448 2.170 475 HA ALA 62 HA ALA 62 82.583 6.316 2.702 476 HB1 ALA 62 HB1 ALA 62 82.452 5.713 0.151 477 HB2 ALA 62 HB2 ALA 62 82.752 7.434 -0.097 478 HB3 ALA 62 HB3 ALA 62 81.325 6.907 0.796 479 H LEU 63 HN LEU 63 83.628 4.188 1.833 480 HA LEU 63 HA LEU 63 86.578 4.562 1.949 481 HB2 LEU 63 HB2 LEU 63 84.999 1.984 1.977 482 HB3 LEU 63 HB1 LEU 63 86.715 2.168 2.299 483 HG LEU 63 HG LEU 63 85.624 1.975 4.396 484 HD11 LEU 63 HD11 LEU 63 86.039 4.944 4.182 485 HD12 LEU 63 HD12 LEU 63 87.393 3.824 4.014 486 HD13 LEU 63 HD13 LEU 63 86.459 3.860 5.508 487 HD21 LEU 63 HD21 LEU 63 83.358 2.881 3.329 488 HD22 LEU 63 HD22 LEU 63 83.914 4.406 4.016 489 HD23 LEU 63 HD23 LEU 63 83.670 3.009 5.056 490 H TRP 64 HN TRP 64 87.883 4.294 0.279 491 HA TRP 64 HA TRP 64 86.735 3.205 -2.286 492 HB2 TRP 64 HB2 TRP 64 87.267 5.198 -3.251 493 HB3 TRP 64 HB1 TRP 64 87.751 5.801 -1.689 494 HD1 TRP 64 HD1 TRP 64 90.487 4.623 -1.131 495 HE1 TRP 64 HE1 TRP 64 92.504 5.001 -2.681 496 HE3 TRP 64 HE3 TRP 64 88.062 5.918 -5.435 497 HZ2 TRP 64 HZ2 TRP 64 93.029 5.797 -5.375 498 HZ3 TRP 64 HZ3 TRP 64 89.347 6.506 -7.470 499 HH2 TRP 64 HH2 TRP 64 91.824 6.451 -7.446 500 H TRP 65 HN TRP 65 88.130 1.844 -3.501 501 HA TRP 65 HA TRP 65 90.445 0.766 -1.933 502 HB2 TRP 65 HB2 TRP 65 88.468 -0.746 -2.592 503 HB3 TRP 65 HB1 TRP 65 89.061 -0.606 -4.245 504 HD1 TRP 65 HD1 TRP 65 92.160 -0.492 -2.534 505 HE1 TRP 65 HE1 TRP 65 93.223 -2.800 -2.211 506 HE3 TRP 65 HE3 TRP 65 88.101 -3.473 -3.414 507 HZ2 TRP 65 HZ2 TRP 65 92.476 -5.554 -2.315 508 HZ3 TRP 65 HZ3 TRP 65 88.319 -5.936 -3.301 509 HH2 TRP 65 HH2 TRP 65 90.496 -6.981 -2.749 510 H GLU 66 HN GLU 66 92.050 2.227 -2.719 511 HA GLU 66 HA GLU 66 92.364 3.086 -5.379 512 HB2 GLU 66 HB2 GLU 66 94.806 3.335 -4.797 513 HB3 GLU 66 HB1 GLU 66 93.682 4.102 -3.683 514 HG2 GLU 66 HG2 GLU 66 93.814 2.112 -2.205 515 HG3 GLU 66 HG1 GLU 66 94.984 1.402 -3.311 516 H LYS 67 HN LYS 67 93.076 -0.075 -4.036 517 HA LYS 67 HA LYS 67 94.886 -0.841 -6.171 518 HB2 LYS 67 HB2 LYS 67 93.045 -2.725 -4.678 519 HB3 LYS 67 HB1 LYS 67 94.577 -3.113 -5.448 520 HG2 LYS 67 HG2 LYS 67 94.246 -1.324 -3.020 521 HG3 LYS 67 HG1 LYS 67 94.789 -2.997 -2.995 522 HD2 LYS 67 HD2 LYS 67 96.691 -2.327 -4.496 523 HD3 LYS 67 HD1 LYS 67 96.186 -0.652 -4.296 524 HE2 LYS 67 HE2 LYS 67 96.982 -0.526 -2.142 525 HE3 LYS 67 HE1 LYS 67 96.542 -2.192 -1.767 526 HZ1 LYS 67 HZ1 LYS 67 98.408 -2.841 -3.311 527 HZ2 LYS 67 HZ2 LYS 67 98.867 -2.141 -1.832 528 HZ3 LYS 67 HZ3 LYS 67 98.906 -1.220 -3.259 529 H LYS 68 HN LYS 68 91.701 -0.008 -5.999 530 HA LYS 68 HA LYS 68 91.057 -1.241 -8.633 531 HB2 LYS 68 HB2 LYS 68 88.900 -0.800 -6.576 532 HB3 LYS 68 HB1 LYS 68 88.941 -1.939 -7.918 533 HG2 LYS 68 HG2 LYS 68 90.800 -2.215 -5.533 534 HG3 LYS 68 HG1 LYS 68 89.195 -2.912 -5.561 535 HD2 LYS 68 HD2 LYS 68 89.696 -4.321 -7.397 536 HD3 LYS 68 HD1 LYS 68 91.160 -3.418 -7.785 537 HE2 LYS 68 HE2 LYS 68 92.386 -4.420 -6.098 538 HE3 LYS 68 HE1 LYS 68 90.983 -4.668 -5.063 539 HZ1 LYS 68 HZ1 LYS 68 91.020 -6.102 -7.598 540 HZ2 LYS 68 HZ2 LYS 68 90.461 -6.599 -6.073 541 HZ3 LYS 68 HZ3 LYS 68 92.124 -6.620 -6.420 542 H ARG 69 HN ARG 69 91.248 1.504 -6.616 543 HA ARG 69 HA ARG 69 90.543 3.722 -6.879 544 HB2 ARG 69 HB2 ARG 69 90.663 2.793 -9.769 545 HB3 ARG 69 HB1 ARG 69 90.275 4.448 -9.323 546 HG2 ARG 69 HG2 ARG 69 92.578 4.624 -9.627 547 HG3 ARG 69 HG1 ARG 69 92.514 4.277 -7.903 548 HD2 ARG 69 HD2 ARG 69 94.147 2.788 -8.768 549 HD3 ARG 69 HD1 ARG 69 92.699 1.810 -8.558 550 HE ARG 69 HE ARG 69 92.641 2.837 -11.195 551 HH11 ARG 69 HH11 ARG 69 93.325 1.532 -12.909 552 HH12 ARG 69 HH12 ARG 69 94.371 0.188 -12.594 553 HH21 ARG 69 HH21 ARG 69 94.509 0.757 -9.176 554 HH22 ARG 69 HH22 ARG 69 95.041 -0.250 -10.480 555 H THR 70 HN THR 70 88.600 1.966 -6.085 556 HA THR 70 HA THR 70 86.180 2.699 -7.709 557 HB THR 70 HB THR 70 86.852 0.250 -7.282 558 HG1 THR 70 HG1 THR 70 84.401 1.479 -6.904 559 HG21 THR 70 HG21 THR 70 87.295 0.825 -4.780 560 HG22 THR 70 HG22 THR 70 86.536 -0.715 -5.180 561 HG23 THR 70 HG23 THR 70 85.550 0.631 -4.608 562 H TRP 71 HN TRP 71 84.223 2.400 -5.995 563 HA TRP 71 HA TRP 71 84.839 3.995 -3.554 564 HB2 TRP 71 HB2 TRP 71 82.463 4.980 -3.943 565 HB3 TRP 71 HB1 TRP 71 83.806 5.664 -4.834 566 HD1 TRP 71 HD1 TRP 71 82.562 2.309 -6.086 567 HE1 TRP 71 HE1 TRP 71 81.272 2.647 -8.243 568 HE3 TRP 71 HE3 TRP 71 82.237 7.407 -6.138 569 HZ2 TRP 71 HZ2 TRP 71 80.233 4.779 -9.848 570 HZ3 TRP 71 HZ3 TRP 71 81.089 8.563 -8.006 571 HH2 TRP 71 HH2 TRP 71 80.087 7.257 -9.859 572 H LEU 72 HN LEU 72 84.706 2.272 -2.198 573 HA LEU 72 HA LEU 72 82.967 0.073 -2.514 574 HB2 LEU 72 HB2 LEU 72 84.110 1.162 0.053 575 HB3 LEU 72 HB1 LEU 72 83.540 -0.481 -0.207 576 HG LEU 72 HG LEU 72 85.704 0.759 -1.909 577 HD11 LEU 72 HD11 LEU 72 87.366 -0.302 -0.492 578 HD12 LEU 72 HD12 LEU 72 86.098 -0.912 0.574 579 HD13 LEU 72 HD13 LEU 72 86.397 0.822 0.458 580 HD21 LEU 72 HD21 LEU 72 86.308 -1.753 -2.080 581 HD22 LEU 72 HD22 LEU 72 84.892 -1.184 -2.963 582 HD23 LEU 72 HD23 LEU 72 84.693 -2.041 -1.432 583 H LEU 73 HN LEU 73 81.001 1.030 -3.078 584 HA LEU 73 HA LEU 73 79.357 2.017 -0.775 585 HB2 LEU 73 HB2 LEU 73 77.887 3.088 -2.505 586 HB3 LEU 73 HB1 LEU 73 79.506 3.773 -2.438 587 HG LEU 73 HG LEU 73 79.920 1.852 -4.341 588 HD11 LEU 73 HD11 LEU 73 77.152 2.849 -5.038 589 HD12 LEU 73 HD12 LEU 73 77.361 1.345 -4.156 590 HD13 LEU 73 HD13 LEU 73 78.066 1.527 -5.763 591 HD21 LEU 73 HD21 LEU 73 79.737 3.621 -6.000 592 HD22 LEU 73 HD22 LEU 73 80.364 4.316 -4.512 593 HD23 LEU 73 HD23 LEU 73 78.678 4.555 -4.946 594 H LYS 74 HN LYS 74 80.075 -0.657 -2.390 595 HA LYS 74 HA LYS 74 77.371 -1.612 -3.030 596 HB2 LYS 74 HB2 LYS 74 80.156 -2.740 -3.206 597 HB3 LYS 74 HB1 LYS 74 78.801 -3.860 -3.193 598 HG2 LYS 74 HG2 LYS 74 79.404 -3.282 -5.501 599 HG3 LYS 74 HG1 LYS 74 77.795 -2.685 -5.115 600 HD2 LYS 74 HD2 LYS 74 79.094 -0.980 -6.326 601 HD3 LYS 74 HD1 LYS 74 78.720 -0.444 -4.692 602 HE2 LYS 74 HE2 LYS 74 81.170 -0.173 -5.624 603 HE3 LYS 74 HE1 LYS 74 80.918 -0.688 -3.960 604 HZ1 LYS 74 HZ1 LYS 74 82.500 -2.006 -5.533 605 HZ2 LYS 74 HZ2 LYS 74 81.054 -2.728 -6.060 606 HZ3 LYS 74 HZ3 LYS 74 81.511 -2.826 -4.427 607 H THR 75 HN THR 75 76.799 -1.022 -0.652 608 HA THR 75 HA THR 75 77.690 -2.221 1.654 609 HB THR 75 HB THR 75 74.758 -2.122 0.900 610 HG1 THR 75 HG1 THR 75 76.073 -0.156 0.582 611 HG21 THR 75 HG21 THR 75 76.153 -1.829 3.573 612 HG22 THR 75 HG22 THR 75 75.380 -3.314 3.012 613 HG23 THR 75 HG23 THR 75 74.412 -1.866 3.291 614 H HIS 76 HN HIS 76 75.760 -3.799 -0.869 615 HA HIS 76 HA HIS 76 75.274 -6.246 0.490 616 HB2 HIS 76 HB2 HIS 76 75.790 -5.813 -2.470 617 HB3 HIS 76 HB1 HIS 76 75.011 -7.225 -1.756 618 HD1 HIS 76 HD1 HIS 76 74.496 -3.441 -1.477 619 HD2 HIS 76 HD2 HIS 76 72.279 -6.944 -1.920 620 HE1 HIS 76 HE1 HIS 76 72.064 -2.741 -1.590 621 H TRP 77 HN TRP 77 76.406 -8.362 -0.229 622 HA TRP 77 HA TRP 77 78.317 -9.675 -0.109 623 HB2 TRP 77 HB2 TRP 77 79.457 -7.368 -1.709 624 HB3 TRP 77 HB1 TRP 77 80.248 -8.912 -1.480 625 HD1 TRP 77 HD1 TRP 77 77.751 -10.846 -1.909 626 HE1 TRP 77 HE1 TRP 77 76.756 -11.100 -4.254 627 HE3 TRP 77 HE3 TRP 77 79.478 -6.551 -4.077 628 HZ2 TRP 77 HZ2 TRP 77 76.690 -9.687 -6.739 629 HZ3 TRP 77 HZ3 TRP 77 78.936 -6.038 -6.441 630 HH2 TRP 77 HH2 TRP 77 77.545 -7.600 -7.774 631 H THR 78 HN THR 78 80.607 -9.694 0.689 632 HA THR 78 HA THR 78 80.985 -7.639 2.840 633 HB THR 78 HB THR 78 82.204 -10.286 3.355 634 HG1 THR 78 HG1 THR 78 79.540 -10.561 3.700 635 HG21 THR 78 HG21 THR 78 80.392 -8.381 4.826 636 HG22 THR 78 HG22 THR 78 81.979 -9.006 5.279 637 HG23 THR 78 HG23 THR 78 80.556 -10.041 5.378 638 H LEU 79 HN LEU 79 83.469 -8.492 3.690 639 HA LEU 79 HA LEU 79 85.240 -7.319 1.721 640 HB2 LEU 79 HB2 LEU 79 85.722 -8.818 4.294 641 HB3 LEU 79 HB1 LEU 79 87.039 -8.184 3.326 642 HG LEU 79 HG LEU 79 86.319 -5.922 3.680 643 HD11 LEU 79 HD11 LEU 79 83.856 -7.205 4.865 644 HD12 LEU 79 HD12 LEU 79 83.931 -6.109 3.483 645 HD13 LEU 79 HD13 LEU 79 84.255 -5.508 5.108 646 HD21 LEU 79 HD21 LEU 79 86.313 -5.811 6.182 647 HD22 LEU 79 HD22 LEU 79 87.551 -6.901 5.553 648 HD23 LEU 79 HD23 LEU 79 86.059 -7.557 6.226 649 H ASP 80 HN ASP 80 85.129 -10.523 3.233 650 HA ASP 80 HA ASP 80 86.923 -11.968 1.723 651 HB2 ASP 80 HB2 ASP 80 85.512 -12.858 3.565 652 HB3 ASP 80 HB1 ASP 80 84.136 -12.892 2.463 653 H LYS 81 HN LYS 81 83.510 -11.473 0.903 654 HA LYS 81 HA LYS 81 83.380 -12.800 -1.516 655 HB2 LYS 81 HB2 LYS 81 82.187 -10.056 -1.205 656 HB3 LYS 81 HB1 LYS 81 81.528 -11.439 -2.070 657 HG2 LYS 81 HG2 LYS 81 81.763 -11.076 0.917 658 HG3 LYS 81 HG1 LYS 81 80.284 -11.250 -0.030 659 HD2 LYS 81 HD2 LYS 81 81.150 -13.536 -0.720 660 HD3 LYS 81 HD1 LYS 81 82.369 -13.355 0.538 661 HE2 LYS 81 HE2 LYS 81 80.565 -14.535 1.562 662 HE3 LYS 81 HE1 LYS 81 80.440 -12.874 2.143 663 HZ1 LYS 81 HZ1 LYS 81 78.610 -12.464 0.873 664 HZ2 LYS 81 HZ2 LYS 81 78.372 -14.119 1.175 665 HZ3 LYS 81 HZ3 LYS 81 79.018 -13.607 -0.311 666 H TYR 82 HN TYR 82 84.270 -9.387 -1.085 667 HA TYR 82 HA TYR 82 85.115 -9.055 -3.829 668 HB2 TYR 82 HB2 TYR 82 85.376 -7.467 -1.288 669 HB3 TYR 82 HB1 TYR 82 86.361 -7.011 -2.673 670 HD1 TYR 82 HD1 TYR 82 83.197 -6.604 -1.123 671 HD2 TYR 82 HD2 TYR 82 85.084 -6.842 -4.976 672 HE1 TYR 82 HE1 TYR 82 81.257 -5.446 -2.146 673 HE2 TYR 82 HE2 TYR 82 83.143 -5.685 -5.997 674 HH TYR 82 HH TYR 82 80.912 -3.985 -4.293 675 H GLY 83 HN GLY 83 86.866 -9.689 -0.793 676 HA2 GLY 83 HA2 GLY 83 88.793 -11.289 -0.945 677 HA3 GLY 83 HA1 GLY 83 89.273 -10.459 -2.428 678 H ILE 84 HN ILE 84 88.000 -8.233 -0.344 679 HA ILE 84 HA ILE 84 90.448 -6.840 0.069 680 HB ILE 84 HB ILE 84 87.833 -6.661 1.588 681 HG12 ILE 84 HG12 ILE 84 88.766 -4.776 -0.580 682 HG13 ILE 84 HG11 ILE 84 87.967 -6.287 -1.011 683 HG21 ILE 84 HG21 ILE 84 89.518 -5.560 2.878 684 HG22 ILE 84 HG22 ILE 84 88.682 -4.287 1.993 685 HG23 ILE 84 HG23 ILE 84 90.257 -4.855 1.441 686 HD11 ILE 84 HD11 ILE 84 86.461 -4.219 -0.723 687 HD12 ILE 84 HD12 ILE 84 86.770 -4.386 1.006 688 HD13 ILE 84 HD13 ILE 84 85.971 -5.688 0.123 689 H GLN 85 HN GLN 85 91.457 -6.413 2.192 690 HA GLN 85 HA GLN 85 90.976 -8.079 4.473 691 HB2 GLN 85 HB2 GLN 85 92.127 -9.574 2.535 692 HB3 GLN 85 HB1 GLN 85 93.583 -8.857 3.211 693 HG2 GLN 85 HG2 GLN 85 93.407 -10.733 4.578 694 HG3 GLN 85 HG1 GLN 85 92.461 -9.589 5.525 695 HE21 GLN 85 HE21 GLN 85 90.085 -9.526 4.015 696 HE22 GLN 85 HE22 GLN 85 89.349 -11.046 4.079 697 H ALA 86 HN ALA 86 93.511 -8.158 5.575 698 HA ALA 86 HA ALA 86 93.927 -5.417 6.328 699 HB1 ALA 86 HB1 ALA 86 95.562 -6.264 7.802 700 HB2 ALA 86 HB2 ALA 86 95.937 -7.626 6.741 701 HB3 ALA 86 HB3 ALA 86 94.423 -7.598 7.639 702 H ASP 87 HN ASP 87 95.240 -7.428 3.826 703 HA ASP 87 HA ASP 87 97.643 -5.827 3.432 704 HB2 ASP 87 HB2 ASP 87 97.693 -7.112 1.219 705 HB3 ASP 87 HB1 ASP 87 97.756 -8.095 2.683 706 H ALA 88 HN ALA 88 94.361 -5.445 2.768 707 HA ALA 88 HA ALA 88 94.833 -3.650 0.431 708 HB1 ALA 88 HB1 ALA 88 92.988 -4.927 -0.126 709 HB2 ALA 88 HB2 ALA 88 92.144 -3.658 0.760 710 HB3 ALA 88 HB3 ALA 88 92.546 -5.182 1.558 711 H LYS 89 HN LYS 89 95.317 -1.573 1.052 712 HA LYS 89 HA LYS 89 94.151 -0.514 3.579 713 HB2 LYS 89 HB2 LYS 89 96.093 0.995 1.837 714 HB3 LYS 89 HB1 LYS 89 95.820 1.137 3.572 715 HG2 LYS 89 HG2 LYS 89 96.971 -1.348 2.282 716 HG3 LYS 89 HG1 LYS 89 97.953 -0.034 2.889 717 HD2 LYS 89 HD2 LYS 89 97.420 -0.448 5.122 718 HD3 LYS 89 HD1 LYS 89 95.905 -1.244 4.718 719 HE2 LYS 89 HE2 LYS 89 97.545 -2.896 5.471 720 HE3 LYS 89 HE1 LYS 89 97.143 -3.140 3.771 721 HZ1 LYS 89 HZ1 LYS 89 99.341 -1.332 4.219 722 HZ2 LYS 89 HZ2 LYS 89 99.204 -2.627 3.127 723 HZ3 LYS 89 HZ3 LYS 89 99.644 -2.916 4.743 724 H LEU 90 HN LEU 90 92.340 0.545 3.460 725 HA LEU 90 HA LEU 90 91.474 1.787 0.908 726 HB2 LEU 90 HB2 LEU 90 89.778 1.774 3.385 727 HB3 LEU 90 HB1 LEU 90 89.286 1.675 1.697 728 HG LEU 90 HG LEU 90 90.658 -0.485 3.301 729 HD11 LEU 90 HD11 LEU 90 88.273 -0.203 3.823 730 HD12 LEU 90 HD12 LEU 90 88.530 -1.700 2.926 731 HD13 LEU 90 HD13 LEU 90 87.880 -0.281 2.106 732 HD21 LEU 90 HD21 LEU 90 89.910 -0.275 0.379 733 HD22 LEU 90 HD22 LEU 90 90.125 -1.836 1.173 734 HD23 LEU 90 HD23 LEU 90 91.473 -0.706 1.072 735 H GLN 91 HN GLN 91 90.158 3.904 1.382 736 HA GLN 91 HA GLN 91 91.660 5.669 3.273 737 HB2 GLN 91 HB2 GLN 91 90.726 6.567 0.536 738 HB3 GLN 91 HB1 GLN 91 91.799 7.419 1.639 739 HG2 GLN 91 HG2 GLN 91 93.645 6.110 1.074 740 HG3 GLN 91 HG1 GLN 91 92.666 4.744 0.590 741 HE21 GLN 91 HE21 GLN 91 91.479 7.707 -0.602 742 HE22 GLN 91 HE22 GLN 91 92.064 7.557 -2.175 743 H PHE 92 HN PHE 92 90.329 7.571 3.887 744 HA PHE 92 HA PHE 92 87.410 6.964 3.664 745 HB2 PHE 92 HB2 PHE 92 87.664 7.172 5.926 746 HB3 PHE 92 HB1 PHE 92 89.169 8.025 5.780 747 HD1 PHE 92 HD1 PHE 92 89.077 10.553 5.158 748 HD2 PHE 92 HD2 PHE 92 85.682 8.309 6.516 749 HE1 PHE 92 HE1 PHE 92 87.942 12.657 5.785 750 HE2 PHE 92 HE2 PHE 92 84.549 10.422 7.153 751 HZ PHE 92 HZ PHE 92 85.676 12.594 6.785 752 H THR 93 HN THR 93 86.574 7.987 1.950 753 HA THR 93 HA THR 93 86.830 10.887 1.703 754 HB THR 93 HB THR 93 88.700 10.762 0.367 755 HG1 THR 93 HG1 THR 93 87.858 11.154 -1.492 756 HG21 THR 93 HG21 THR 93 89.353 8.541 0.816 757 HG22 THR 93 HG22 THR 93 89.207 8.587 -0.941 758 HG23 THR 93 HG23 THR 93 87.924 7.867 0.031 759 HA PRO 94 HA PRO 94 82.811 10.699 -0.074 760 HB2 PRO 94 HB2 PRO 94 83.294 12.075 -2.547 761 HB3 PRO 94 HB1 PRO 94 82.711 12.781 -1.031 762 HG2 PRO 94 HG2 PRO 94 85.459 12.723 -2.152 763 HG3 PRO 94 HG1 PRO 94 84.690 13.931 -1.107 764 HD2 PRO 94 HD2 PRO 94 86.540 12.225 -0.147 765 HD3 PRO 94 HD1 PRO 94 85.156 12.732 0.847 766 H TYR 541 HT1 TYR 541 52.238 34.343 12.274 767 HA TYR 541 HA TYR 541 50.294 36.292 13.154 768 HB2 TYR 541 HB2 TYR 541 53.018 35.493 13.642 769 HB3 TYR 541 HB1 TYR 541 53.051 37.184 13.159 770 HD1 TYR 541 HD1 TYR 541 51.095 38.659 14.280 771 HD2 TYR 541 HD2 TYR 541 52.706 35.025 15.915 772 HE1 TYR 541 HE1 TYR 541 50.309 39.324 16.537 773 HE2 TYR 541 HE2 TYR 541 51.920 35.692 18.170 774 HH TYR 541 HH TYR 541 49.737 37.581 18.871 775 H HIS 542 HN HIS 542 51.891 38.598 12.459 776 HA HIS 542 HA HIS 542 50.740 39.223 9.911 777 HB2 HIS 542 HB2 HIS 542 52.879 40.596 11.559 778 HB3 HIS 542 HB1 HIS 542 52.157 41.287 10.111 779 HD1 HIS 542 HD1 HIS 542 49.699 39.325 11.906 780 HD2 HIS 542 HD2 HIS 542 51.133 43.231 12.171 781 HE1 HIS 542 HE1 HIS 542 47.996 40.623 13.259 782 H GLU 543 HN GLU 543 53.927 40.349 9.902 783 HA GLU 543 HA GLU 543 54.631 39.390 7.397 784 HB2 GLU 543 HB2 GLU 543 57.100 39.404 8.746 785 HB3 GLU 543 HB1 GLU 543 56.354 40.785 7.947 786 HG2 GLU 543 HG2 GLU 543 55.308 41.506 9.992 787 HG3 GLU 543 HG1 GLU 543 55.776 40.021 10.821 788 H ARG 544 HN ARG 544 54.572 37.601 10.372 789 HA ARG 544 HA ARG 544 56.185 35.388 9.333 790 HB2 ARG 544 HB2 ARG 544 54.460 35.686 11.812 791 HB3 ARG 544 HB1 ARG 544 55.367 34.232 11.429 792 HG2 ARG 544 HG2 ARG 544 56.883 35.357 12.804 793 HG3 ARG 544 HG1 ARG 544 57.415 35.868 11.207 794 HD2 ARG 544 HD2 ARG 544 57.183 38.006 11.953 795 HD3 ARG 544 HD1 ARG 544 55.443 37.749 11.910 796 HE ARG 544 HE ARG 544 56.213 36.689 14.353 797 HH11 ARG 544 HH11 ARG 544 56.306 37.933 16.242 798 HH12 ARG 544 HH12 ARG 544 56.501 39.650 16.122 799 HH21 ARG 544 HH21 ARG 544 56.593 39.665 12.656 800 HH22 ARG 544 HH22 ARG 544 56.663 40.630 14.092 801 H ARG 545 HN ARG 545 55.355 33.987 7.870 802 HA ARG 545 HA ARG 545 52.463 33.267 8.025 803 HB2 ARG 545 HB2 ARG 545 53.343 33.130 5.290 804 HB3 ARG 545 HB1 ARG 545 52.125 34.187 5.982 805 HG2 ARG 545 HG2 ARG 545 53.770 35.564 4.892 806 HG3 ARG 545 HG1 ARG 545 53.949 35.787 6.628 807 HD2 ARG 545 HD2 ARG 545 56.088 34.977 6.579 808 HD3 ARG 545 HD1 ARG 545 55.614 33.571 5.626 809 HE ARG 545 HE ARG 545 55.563 35.664 3.807 810 HH11 ARG 545 HH11 ARG 545 57.369 36.245 2.582 811 HH12 ARG 545 HH12 ARG 545 58.955 35.857 3.162 812 HH21 ARG 545 HH21 ARG 545 57.811 34.337 6.060 813 HH22 ARG 545 HH22 ARG 545 59.205 34.777 5.131 814 H GLY 546 HN GLY 546 55.736 32.347 7.106 815 HA2 GLY 546 HA2 GLY 546 55.304 29.815 5.996 816 HA3 GLY 546 HA1 GLY 546 56.726 30.223 6.951 817 H SER 547 HN SER 547 56.992 29.121 8.821 818 HA SER 547 HA SER 547 54.763 28.293 10.497 819 HB2 SER 547 HB2 SER 547 56.049 26.372 8.593 820 HB3 SER 547 HB1 SER 547 55.668 25.782 10.209 821 HG SER 547 HG SER 547 54.022 26.377 8.116 822 H LEU 548 HN LEU 548 55.680 28.629 12.481 823 HA LEU 548 HA LEU 548 58.459 28.944 12.855 824 HB2 LEU 548 HB2 LEU 548 56.068 28.786 14.588 825 HB3 LEU 548 HB1 LEU 548 57.561 28.320 15.391 826 HG LEU 548 HG LEU 548 58.577 30.487 14.501 827 HD11 LEU 548 HD11 LEU 548 56.763 32.251 14.014 828 HD12 LEU 548 HD12 LEU 548 55.698 30.882 13.706 829 HD13 LEU 548 HD13 LEU 548 57.150 31.107 12.738 830 HD21 LEU 548 HD21 LEU 548 57.578 30.112 16.841 831 HD22 LEU 548 HD22 LEU 548 56.181 31.007 16.247 832 HD23 LEU 548 HD23 LEU 548 57.769 31.777 16.295 833 H CYS 549 HN CYS 549 60.109 27.566 13.352 834 HA CYS 549 HA CYS 549 59.536 24.679 13.204 835 HB2 CYS 549 HB2 CYS 549 61.535 25.253 12.078 836 HB3 CYS 549 HB1 CYS 549 62.002 26.416 13.304 837 H SER 550 HN SER 550 58.589 24.032 15.065 838 HA SER 550 HA SER 550 58.806 25.174 17.590 839 HB2 SER 550 HB2 SER 550 57.096 23.592 17.272 840 HB3 SER 550 HB1 SER 550 58.221 22.319 16.816 841 HG SER 550 HG SER 550 58.881 23.330 19.214 842 H GLY 551 HN GLY 551 60.308 25.331 19.017 843 HA2 GLY 551 HA2 GLY 551 62.124 24.331 20.389 844 HA3 GLY 551 HA1 GLY 551 62.678 23.495 18.932 845 H CYS 552 HN CYS 552 62.141 25.661 17.175 846 HA CYS 552 HA CYS 552 64.414 27.483 17.837 847 HB2 CYS 552 HB2 CYS 552 63.135 26.454 15.315 848 HB3 CYS 552 HB1 CYS 552 64.030 27.964 15.283 849 H GLN 553 HN GLN 553 61.076 27.220 16.806 850 HA GLN 553 HA GLN 553 59.383 28.742 16.637 851 HB2 GLN 553 HB2 GLN 553 60.944 30.068 18.836 852 HB3 GLN 553 HB1 GLN 553 59.315 30.541 18.346 853 HG2 GLN 553 HG2 GLN 553 60.071 27.737 19.170 854 HG3 GLN 553 HG1 GLN 553 59.367 28.910 20.263 855 HE21 GLN 553 HE21 GLN 553 58.740 27.003 17.347 856 HE22 GLN 553 HE22 GLN 553 57.046 27.093 17.432 857 H LYS 554 HN LYS 554 60.787 28.957 14.641 858 HA LYS 554 HA LYS 554 60.926 31.851 14.015 859 HB2 LYS 554 HB2 LYS 554 63.038 29.829 13.220 860 HB3 LYS 554 HB1 LYS 554 62.971 31.488 12.643 861 HG2 LYS 554 HG2 LYS 554 63.190 30.718 15.563 862 HG3 LYS 554 HG1 LYS 554 64.570 31.132 14.552 863 HD2 LYS 554 HD2 LYS 554 63.198 33.322 14.043 864 HD3 LYS 554 HD1 LYS 554 62.332 32.899 15.518 865 HE2 LYS 554 HE2 LYS 554 64.214 34.410 16.013 866 HE3 LYS 554 HE1 LYS 554 64.467 32.831 16.756 867 HZ1 LYS 554 HZ1 LYS 554 66.275 32.498 15.536 868 HZ2 LYS 554 HZ2 LYS 554 66.190 34.131 15.075 869 HZ3 LYS 554 HZ3 LYS 554 65.489 32.932 14.097 870 HA PRO 555 HA PRO 555 58.086 30.137 10.903 871 HB2 PRO 555 HB2 PRO 555 59.148 32.324 9.202 872 HB3 PRO 555 HB1 PRO 555 57.472 31.905 9.573 873 HG2 PRO 555 HG2 PRO 555 58.789 34.028 10.722 874 HG3 PRO 555 HG1 PRO 555 57.454 33.177 11.505 875 HD2 PRO 555 HD2 PRO 555 60.313 33.178 12.236 876 HD3 PRO 555 HD1 PRO 555 58.920 32.607 13.189 877 H ILE 556 HN ILE 556 58.323 28.593 9.471 878 HA ILE 556 HA ILE 556 60.974 28.042 8.264 879 HB ILE 556 HB ILE 556 58.390 26.458 8.484 880 HG12 ILE 556 HG12 ILE 556 61.056 25.686 9.669 881 HG13 ILE 556 HG11 ILE 556 60.064 26.857 10.512 882 HG21 ILE 556 HG21 ILE 556 59.414 25.778 6.444 883 HG22 ILE 556 HG22 ILE 556 59.870 24.578 7.651 884 HG23 ILE 556 HG23 ILE 556 61.026 25.811 7.160 885 HD11 ILE 556 HD11 ILE 556 58.476 25.294 11.100 886 HD12 ILE 556 HD12 ILE 556 59.830 24.188 10.908 887 HD13 ILE 556 HD13 ILE 556 58.663 24.378 9.603 888 H THR 557 HN THR 557 61.070 29.465 6.481 889 HA THR 557 HA THR 557 58.736 29.565 4.632 890 HB THR 557 HB THR 557 59.623 31.585 3.830 891 HG1 THR 557 HG1 THR 557 62.066 30.733 4.994 892 HG21 THR 557 HG21 THR 557 59.960 32.882 5.817 893 HG22 THR 557 HG22 THR 557 60.610 31.490 6.685 894 HG23 THR 557 HG23 THR 557 58.898 31.546 6.269 895 H GLY 558 HN GLY 558 58.961 27.583 3.599 896 HA2 GLY 558 HA2 GLY 558 60.115 27.358 1.153 897 HA3 GLY 558 HA1 GLY 558 61.438 26.853 2.213 898 H ARG 559 HN ARG 559 61.293 24.911 3.278 899 HA ARG 559 HA ARG 559 58.957 23.155 2.637 900 HB2 ARG 559 HB2 ARG 559 61.921 22.679 2.875 901 HB3 ARG 559 HB1 ARG 559 60.829 21.364 3.307 902 HG2 ARG 559 HG2 ARG 559 60.419 22.830 0.707 903 HG3 ARG 559 HG1 ARG 559 61.687 21.612 0.817 904 HD2 ARG 559 HD2 ARG 559 60.137 19.885 1.339 905 HD3 ARG 559 HD1 ARG 559 58.853 21.038 1.698 906 HE ARG 559 HE ARG 559 59.462 21.521 -0.966 907 HH11 ARG 559 HH11 ARG 559 58.434 20.438 -2.667 908 HH12 ARG 559 HH12 ARG 559 57.722 18.885 -2.381 909 HH21 ARG 559 HH21 ARG 559 58.620 18.796 0.967 910 HH22 ARG 559 HH22 ARG 559 57.829 17.954 -0.324 911 H CYS 560 HN CYS 560 58.171 21.873 4.436 912 HA CYS 560 HA CYS 560 59.349 22.488 7.082 913 HB2 CYS 560 HB2 CYS 560 57.135 23.071 8.025 914 HB3 CYS 560 HB1 CYS 560 57.697 24.243 6.828 915 HG CYS 560 HG CYS 560 55.783 21.992 5.848 916 H ILE 561 HN ILE 561 59.501 20.782 8.261 917 HA ILE 561 HA ILE 561 58.013 18.339 7.540 918 HB ILE 561 HB ILE 561 60.207 18.898 9.559 919 HG12 ILE 561 HG12 ILE 561 60.131 17.586 6.847 920 HG13 ILE 561 HG11 ILE 561 60.888 19.123 7.229 921 HG21 ILE 561 HG21 ILE 561 58.697 16.949 10.172 922 HG22 ILE 561 HG22 ILE 561 60.370 16.499 9.852 923 HG23 ILE 561 HG23 ILE 561 59.136 16.220 8.624 924 HD11 ILE 561 HD11 ILE 561 61.709 16.373 8.181 925 HD12 ILE 561 HD12 ILE 561 62.318 17.866 8.899 926 HD13 ILE 561 HD13 ILE 561 62.652 17.506 7.206 927 H THR 562 HN THR 562 56.640 17.364 8.965 928 HA THR 562 HA THR 562 55.760 18.991 11.317 929 HB THR 562 HB THR 562 53.946 17.124 9.808 930 HG1 THR 562 HG1 THR 562 53.473 19.735 9.387 931 HG21 THR 562 HG21 THR 562 53.465 17.905 12.186 932 HG22 THR 562 HG22 THR 562 52.212 18.269 10.996 933 HG23 THR 562 HG23 THR 562 53.324 19.535 11.519 934 H ALA 563 HN ALA 563 55.265 17.924 13.167 935 HA ALA 563 HA ALA 563 56.062 15.047 13.310 936 HB1 ALA 563 HB1 ALA 563 56.494 17.191 15.393 937 HB2 ALA 563 HB2 ALA 563 57.727 16.668 14.242 938 HB3 ALA 563 HB3 ALA 563 57.094 15.531 15.442 939 H MET 564 HN MET 564 55.367 15.810 16.292 940 HA MET 564 HA MET 564 52.817 14.511 16.372 941 HB2 MET 564 HB2 MET 564 53.818 16.332 18.548 942 HB3 MET 564 HB1 MET 564 52.973 14.790 18.692 943 HG2 MET 564 HG2 MET 564 55.063 13.751 17.588 944 HG3 MET 564 HG1 MET 564 55.850 15.288 17.941 945 HE1 MET 564 HE1 MET 564 54.372 12.048 20.770 946 HE2 MET 564 HE2 MET 564 55.375 11.761 19.350 947 HE3 MET 564 HE3 MET 564 53.767 12.455 19.158 948 H ALA 565 HN ALA 565 53.126 16.946 14.757 949 HA ALA 565 HA ALA 565 51.281 18.338 14.013 950 HB1 ALA 565 HB1 ALA 565 50.862 19.051 16.927 951 HB2 ALA 565 HB2 ALA 565 49.905 17.818 16.096 952 HB3 ALA 565 HB3 ALA 565 49.854 19.491 15.552 953 H LYS 566 HN LYS 566 54.033 18.505 15.871 954 HA LYS 566 HA LYS 566 54.309 21.436 15.850 955 HB2 LYS 566 HB2 LYS 566 55.921 19.088 16.758 956 HB3 LYS 566 HB1 LYS 566 56.829 20.532 16.330 957 HG2 LYS 566 HG2 LYS 566 55.740 21.845 17.971 958 HG3 LYS 566 HG1 LYS 566 54.454 20.661 18.190 959 HD2 LYS 566 HD2 LYS 566 57.293 19.815 18.729 960 HD3 LYS 566 HD1 LYS 566 56.470 20.811 19.921 961 HE2 LYS 566 HE2 LYS 566 54.858 19.171 20.376 962 HE3 LYS 566 HE1 LYS 566 55.063 18.387 18.805 963 HZ1 LYS 566 HZ1 LYS 566 56.063 17.043 20.496 964 HZ2 LYS 566 HZ2 LYS 566 56.977 18.351 21.081 965 HZ3 LYS 566 HZ3 LYS 566 57.300 17.705 19.543 966 H LYS 567 HN LYS 567 56.146 22.427 14.631 967 HA LYS 567 HA LYS 567 56.449 21.143 11.945 968 HB2 LYS 567 HB2 LYS 567 57.128 24.002 12.548 969 HB3 LYS 567 HB1 LYS 567 56.594 23.297 11.034 970 HG2 LYS 567 HG2 LYS 567 54.884 23.689 13.517 971 HG3 LYS 567 HG1 LYS 567 54.798 24.641 12.046 972 HD2 LYS 567 HD2 LYS 567 54.236 21.648 12.194 973 HD3 LYS 567 HD1 LYS 567 53.012 22.916 12.137 974 HE2 LYS 567 HE2 LYS 567 54.219 23.699 9.975 975 HE3 LYS 567 HE1 LYS 567 54.959 22.100 9.997 976 HZ1 LYS 567 HZ1 LYS 567 52.634 21.211 10.225 977 HZ2 LYS 567 HZ2 LYS 567 53.016 21.902 8.720 978 HZ3 LYS 567 HZ3 LYS 567 52.082 22.769 9.843 979 H PHE 568 HN PHE 568 58.738 21.856 10.947 980 HA PHE 568 HA PHE 568 60.822 22.107 13.007 981 HB2 PHE 568 HB2 PHE 568 59.982 19.477 11.978 982 HB3 PHE 568 HB1 PHE 568 61.699 19.736 11.752 983 HD1 PHE 568 HD1 PHE 568 63.103 20.419 13.772 984 HD2 PHE 568 HD2 PHE 568 59.065 18.992 14.120 985 HE1 PHE 568 HE1 PHE 568 63.481 19.930 16.174 986 HE2 PHE 568 HE2 PHE 568 59.445 18.503 16.522 987 HZ PHE 568 HZ PHE 568 61.653 18.973 17.549 988 H HIS 569 HN HIS 569 62.606 23.024 12.136 989 HA HIS 569 HA HIS 569 62.701 23.979 9.477 990 HB2 HIS 569 HB2 HIS 569 64.760 23.446 11.583 991 HB3 HIS 569 HB1 HIS 569 65.313 23.849 9.970 992 HD2 HIS 569 HD2 HIS 569 63.791 26.416 9.100 993 HE1 HIS 569 HE1 HIS 569 64.267 27.890 13.019 994 HA PRO 570 HA PRO 570 63.047 19.758 7.732 995 HB2 PRO 570 HB2 PRO 570 64.133 21.274 5.394 996 HB3 PRO 570 HB1 PRO 570 62.840 20.066 5.447 997 HG2 PRO 570 HG2 PRO 570 62.344 22.736 5.176 998 HG3 PRO 570 HG1 PRO 570 61.219 21.627 5.969 999 HD2 PRO 570 HD2 PRO 570 62.922 23.727 7.185 1000 HD3 PRO 570 HD1 PRO 570 61.467 22.935 7.838 1001 H GLU 571 HN GLU 571 65.458 22.105 8.319 1002 HA GLU 571 HA GLU 571 67.713 20.356 7.547 1003 HB2 GLU 571 HB2 GLU 571 67.984 23.026 8.910 1004 HB3 GLU 571 HB1 GLU 571 69.070 22.250 7.759 1005 HG2 GLU 571 HG2 GLU 571 67.208 22.459 6.045 1006 HG3 GLU 571 HG1 GLU 571 66.376 23.489 7.216 1007 H HIS 572 HN HIS 572 66.577 22.114 10.424 1008 HA HIS 572 HA HIS 572 68.450 20.942 12.227 1009 HB2 HIS 572 HB2 HIS 572 65.652 21.886 12.935 1010 HB3 HIS 572 HB1 HIS 572 67.048 21.805 14.010 1011 HD2 HIS 572 HD2 HIS 572 69.011 23.047 11.408 1012 HE1 HIS 572 HE1 HIS 572 66.913 26.585 12.312 1013 H PHE 573 HN PHE 573 66.103 19.398 10.496 1014 HA PHE 573 HA PHE 573 66.110 17.094 12.422 1015 HB2 PHE 573 HB2 PHE 573 63.868 18.404 12.163 1016 HB3 PHE 573 HB1 PHE 573 63.805 17.661 10.574 1017 HD1 PHE 573 HD1 PHE 573 63.258 15.347 10.290 1018 HD2 PHE 573 HD2 PHE 573 63.974 16.947 14.212 1019 HE1 PHE 573 HE1 PHE 573 62.404 13.250 11.302 1020 HE2 PHE 573 HE2 PHE 573 63.120 14.849 15.223 1021 HZ PHE 573 HZ PHE 573 62.335 13.001 13.768 1022 H VAL 574 HN VAL 574 68.061 17.144 10.716 1023 HA VAL 574 HA VAL 574 67.341 15.941 8.129 1024 HB VAL 574 HB VAL 574 69.815 16.043 7.742 1025 HG11 VAL 574 HG11 VAL 574 69.604 18.795 8.261 1026 HG12 VAL 574 HG12 VAL 574 67.933 18.258 8.080 1027 HG13 VAL 574 HG13 VAL 574 69.093 17.975 6.803 1028 HG21 VAL 574 HG21 VAL 574 70.415 15.885 10.178 1029 HG22 VAL 574 HG22 VAL 574 69.794 17.531 10.399 1030 HG23 VAL 574 HG23 VAL 574 71.196 17.241 9.362 1031 H CYS 575 HN CYS 575 69.007 14.131 7.464 1032 HA CYS 575 HA CYS 575 68.681 11.873 9.320 1033 HB2 CYS 575 HB2 CYS 575 68.540 10.852 7.289 1034 HB3 CYS 575 HB1 CYS 575 69.210 12.270 6.487 1035 H ALA 576 HN ALA 576 70.453 10.787 10.416 1036 HA ALA 576 HA ALA 576 72.880 12.546 10.564 1037 HB1 ALA 576 HB1 ALA 576 71.609 10.438 12.268 1038 HB2 ALA 576 HB2 ALA 576 72.383 11.947 12.744 1039 HB3 ALA 576 HB3 ALA 576 73.369 10.541 12.345 1040 H PHE 577 HN PHE 577 73.335 11.897 8.339 1041 HA PHE 577 HA PHE 577 75.461 9.905 8.220 1042 HB2 PHE 577 HB2 PHE 577 73.524 8.537 7.390 1043 HB3 PHE 577 HB1 PHE 577 73.191 9.774 6.191 1044 HD1 PHE 577 HD1 PHE 577 75.696 7.217 7.260 1045 HD2 PHE 577 HD2 PHE 577 74.462 9.961 4.187 1046 HE1 PHE 577 HE1 PHE 577 77.317 6.199 5.698 1047 HE2 PHE 577 HE2 PHE 577 76.088 8.930 2.625 1048 HZ PHE 577 HZ PHE 577 77.516 7.054 3.381 1049 H CYS 578 HN CYS 578 73.283 11.653 6.183 1050 HA CYS 578 HA CYS 578 75.393 13.551 5.252 1051 HB2 CYS 578 HB2 CYS 578 73.955 13.839 3.243 1052 HB3 CYS 578 HB1 CYS 578 74.441 12.163 3.398 1053 H LEU 579 HN LEU 579 74.859 14.642 7.275 1054 HA LEU 579 HA LEU 579 72.378 15.395 8.234 1055 HB2 LEU 579 HB2 LEU 579 74.986 16.912 8.317 1056 HB3 LEU 579 HB1 LEU 579 73.595 17.267 9.342 1057 HG LEU 579 HG LEU 579 74.592 14.425 9.261 1058 HD11 LEU 579 HD11 LEU 579 76.098 15.130 11.268 1059 HD12 LEU 579 HD12 LEU 579 76.036 16.733 10.541 1060 HD13 LEU 579 HD13 LEU 579 76.697 15.382 9.629 1061 HD21 LEU 579 HD21 LEU 579 73.500 16.214 11.463 1062 HD22 LEU 579 HD22 LEU 579 73.856 14.493 11.621 1063 HD23 LEU 579 HD23 LEU 579 72.568 15.031 10.544 1064 H LYS 580 HN LYS 580 72.851 16.109 5.098 1065 HA LYS 580 HA LYS 580 72.216 18.999 5.312 1066 HB2 LYS 580 HB2 LYS 580 72.749 19.180 3.080 1067 HB3 LYS 580 HB1 LYS 580 73.658 17.731 3.467 1068 HG2 LYS 580 HG2 LYS 580 70.855 17.672 2.267 1069 HG3 LYS 580 HG1 LYS 580 72.331 17.618 1.322 1070 HD2 LYS 580 HD2 LYS 580 72.927 15.509 2.079 1071 HD3 LYS 580 HD1 LYS 580 72.001 15.659 3.570 1072 HE2 LYS 580 HE2 LYS 580 71.092 14.121 1.653 1073 HE3 LYS 580 HE1 LYS 580 69.979 15.176 2.523 1074 HZ1 LYS 580 HZ1 LYS 580 70.100 15.138 -0.096 1075 HZ2 LYS 580 HZ2 LYS 580 71.325 16.282 0.182 1076 HZ3 LYS 580 HZ3 LYS 580 69.753 16.559 0.762 1077 H GLN 581 HN GLN 581 70.356 16.013 4.409 1078 HA GLN 581 HA GLN 581 67.967 17.563 5.022 1079 HB2 GLN 581 HB2 GLN 581 68.515 18.222 2.690 1080 HB3 GLN 581 HB1 GLN 581 68.147 16.570 2.199 1081 HG2 GLN 581 HG2 GLN 581 66.119 17.781 1.902 1082 HG3 GLN 581 HG1 GLN 581 65.895 16.905 3.403 1083 HE21 GLN 581 HE21 GLN 581 66.343 18.180 5.451 1084 HE22 GLN 581 HE22 GLN 581 66.053 19.845 5.423 1085 H LEU 582 HN LEU 582 66.235 16.475 5.569 1086 HA LEU 582 HA LEU 582 65.999 13.593 4.914 1087 HB2 LEU 582 HB2 LEU 582 66.995 13.988 7.216 1088 HB3 LEU 582 HB1 LEU 582 65.458 14.700 7.673 1089 HG LEU 582 HG LEU 582 64.329 12.566 7.145 1090 HD11 LEU 582 HD11 LEU 582 65.419 11.302 5.578 1091 HD12 LEU 582 HD12 LEU 582 66.258 10.616 6.966 1092 HD13 LEU 582 HD13 LEU 582 67.001 11.914 6.037 1093 HD21 LEU 582 HD21 LEU 582 65.690 11.184 8.945 1094 HD22 LEU 582 HD22 LEU 582 64.848 12.663 9.401 1095 HD23 LEU 582 HD23 LEU 582 66.583 12.694 9.123 1096 H ASN 583 HN ASN 583 63.694 12.852 5.511 1097 HA ASN 583 HA ASN 583 61.686 15.037 5.516 1098 HB2 ASN 583 HB2 ASN 583 62.165 13.115 3.237 1099 HB3 ASN 583 HB1 ASN 583 60.542 13.723 3.541 1100 HD21 ASN 583 HD21 ASN 583 61.700 14.422 1.150 1101 HD22 ASN 583 HD22 ASN 583 62.153 16.053 1.165 1102 H LYS 584 HN LYS 584 59.978 14.432 6.759 1103 HA LYS 584 HA LYS 584 59.908 12.099 8.302 1104 HB2 LYS 584 HB2 LYS 584 57.475 12.629 8.591 1105 HB3 LYS 584 HB1 LYS 584 58.535 14.014 8.841 1106 HG2 LYS 584 HG2 LYS 584 57.675 15.154 7.042 1107 HG3 LYS 584 HG1 LYS 584 57.715 13.728 6.003 1108 HD2 LYS 584 HD2 LYS 584 55.416 14.377 6.252 1109 HD3 LYS 584 HD1 LYS 584 55.654 12.911 7.195 1110 HE2 LYS 584 HE2 LYS 584 54.433 14.324 8.645 1111 HE3 LYS 584 HE1 LYS 584 56.100 14.503 9.191 1112 HZ1 LYS 584 HZ1 LYS 584 54.395 16.395 7.763 1113 HZ2 LYS 584 HZ2 LYS 584 56.049 16.398 7.374 1114 HZ3 LYS 584 HZ3 LYS 584 55.548 16.676 8.974 1115 H GLY 585 HN GLY 585 59.161 12.516 4.986 1116 HA2 GLY 585 HA2 GLY 585 57.432 10.142 4.815 1117 HA3 GLY 585 HA1 GLY 585 57.929 11.174 3.476 1118 H THR 586 HN THR 586 60.730 10.988 4.589 1119 HA THR 586 HA THR 586 61.408 8.192 3.768 1120 HB THR 586 HB THR 586 62.968 8.901 2.186 1121 HG1 THR 586 HG1 THR 586 63.171 11.021 3.928 1122 HG21 THR 586 HG21 THR 586 61.011 11.221 2.150 1123 HG22 THR 586 HG22 THR 586 60.624 9.605 1.556 1124 HG23 THR 586 HG23 THR 586 61.893 10.551 0.773 1125 H PHE 587 HN PHE 587 61.219 9.653 6.372 1126 HA PHE 587 HA PHE 587 64.065 9.849 7.169 1127 HB2 PHE 587 HB2 PHE 587 63.375 10.870 9.142 1128 HB3 PHE 587 HB1 PHE 587 62.177 11.423 7.992 1129 HD1 PHE 587 HD1 PHE 587 60.251 9.299 7.727 1130 HD2 PHE 587 HD2 PHE 587 62.403 10.526 11.238 1131 HE1 PHE 587 HE1 PHE 587 58.461 8.359 9.152 1132 HE2 PHE 587 HE2 PHE 587 60.610 9.581 12.662 1133 HZ PHE 587 HZ PHE 587 58.639 8.497 11.620 1134 H LYS 588 HN LYS 588 65.047 8.012 7.476 1135 HA LYS 588 HA LYS 588 63.669 5.719 8.777 1136 HB2 LYS 588 HB2 LYS 588 65.361 5.936 6.531 1137 HB3 LYS 588 HB1 LYS 588 66.399 5.302 7.766 1138 HG2 LYS 588 HG2 LYS 588 65.284 3.546 6.362 1139 HG3 LYS 588 HG1 LYS 588 65.043 3.364 8.085 1140 HD2 LYS 588 HD2 LYS 588 63.032 3.031 6.434 1141 HD3 LYS 588 HD1 LYS 588 62.773 3.860 7.949 1142 HE2 LYS 588 HE2 LYS 588 62.493 5.931 6.907 1143 HE3 LYS 588 HE1 LYS 588 63.497 5.487 5.545 1144 HZ1 LYS 588 HZ1 LYS 588 60.727 5.323 5.763 1145 HZ2 LYS 588 HZ2 LYS 588 61.330 3.741 5.623 1146 HZ3 LYS 588 HZ3 LYS 588 61.703 4.904 4.441 1147 H GLU 589 HN GLU 589 65.160 4.509 10.386 1148 HA GLU 589 HA GLU 589 67.115 6.274 11.729 1149 HB2 GLU 589 HB2 GLU 589 65.261 7.141 12.853 1150 HB3 GLU 589 HB1 GLU 589 64.414 5.600 12.879 1151 HG2 GLU 589 HG2 GLU 589 65.847 4.752 14.604 1152 HG3 GLU 589 HG1 GLU 589 66.983 6.094 14.422 1153 H GLN 590 HN GLN 590 68.266 5.249 13.364 1154 HA GLN 590 HA GLN 590 67.979 2.387 13.853 1155 HB2 GLN 590 HB2 GLN 590 69.373 2.814 11.638 1156 HB3 GLN 590 HB1 GLN 590 70.647 3.274 12.753 1157 HG2 GLN 590 HG2 GLN 590 71.096 1.006 12.607 1158 HG3 GLN 590 HG1 GLN 590 69.954 0.984 13.949 1159 HE21 GLN 590 HE21 GLN 590 70.572 -0.968 11.591 1160 HE22 GLN 590 HE22 GLN 590 69.035 -1.333 10.970 1161 H ASN 591 HN ASN 591 69.106 1.866 15.795 1162 HA ASN 591 HA ASN 591 69.825 2.442 17.943 1163 HB2 ASN 591 HB2 ASN 591 72.067 3.977 17.621 1164 HB3 ASN 591 HB1 ASN 591 72.044 2.238 17.413 1165 HD21 ASN 591 HD21 ASN 591 71.224 1.633 15.059 1166 HD22 ASN 591 HD22 ASN 591 71.944 2.510 13.805 1167 H ASP 592 HN ASP 592 67.918 4.357 16.579 1168 HA ASP 592 HA ASP 592 66.740 6.214 17.439 1169 HB2 ASP 592 HB2 ASP 592 69.097 7.024 19.123 1170 HB3 ASP 592 HB1 ASP 592 67.382 7.300 19.408 1171 H LYS 593 HN LYS 593 69.658 6.200 15.832 1172 HA LYS 593 HA LYS 593 69.930 9.100 15.539 1173 HB2 LYS 593 HB2 LYS 593 71.300 6.880 14.049 1174 HB3 LYS 593 HB1 LYS 593 71.814 8.555 14.161 1175 HG2 LYS 593 HG2 LYS 593 71.834 8.113 16.739 1176 HG3 LYS 593 HG1 LYS 593 71.870 6.413 16.273 1177 HD2 LYS 593 HD2 LYS 593 73.892 6.776 14.946 1178 HD3 LYS 593 HD1 LYS 593 73.845 8.504 15.298 1179 HE2 LYS 593 HE2 LYS 593 73.943 6.476 17.533 1180 HE3 LYS 593 HE1 LYS 593 75.418 7.005 16.724 1181 HZ1 LYS 593 HZ1 LYS 593 74.609 9.338 17.180 1182 HZ2 LYS 593 HZ2 LYS 593 75.137 8.447 18.527 1183 HZ3 LYS 593 HZ3 LYS 593 73.475 8.647 18.235 1184 HA PRO 594 HA PRO 594 66.802 8.944 12.182 1185 HB2 PRO 594 HB2 PRO 594 68.188 11.467 11.410 1186 HB3 PRO 594 HB1 PRO 594 66.466 11.168 11.637 1187 HG2 PRO 594 HG2 PRO 594 67.964 12.557 13.424 1188 HG3 PRO 594 HG1 PRO 594 66.581 11.565 13.915 1189 HD2 PRO 594 HD2 PRO 594 69.487 11.043 14.308 1190 HD3 PRO 594 HD1 PRO 594 68.094 10.404 15.212 1191 H TYR 595 HN TYR 595 66.957 8.898 9.738 1192 HA TYR 595 HA TYR 595 69.565 8.860 8.458 1193 HB2 TYR 595 HB2 TYR 595 68.317 6.297 9.401 1194 HB3 TYR 595 HB1 TYR 595 69.224 6.290 7.902 1195 HD1 TYR 595 HD1 TYR 595 69.519 5.591 11.277 1196 HD2 TYR 595 HD2 TYR 595 71.555 7.696 8.145 1197 HE1 TYR 595 HE1 TYR 595 71.668 5.313 12.479 1198 HE2 TYR 595 HE2 TYR 595 73.703 7.426 9.370 1199 HH TYR 595 HH TYR 595 74.531 7.005 11.546 1200 H CYS 596 HN CYS 596 69.258 8.980 6.210 1201 HA CYS 596 HA CYS 596 66.514 8.945 5.176 1202 HB2 CYS 596 HB2 CYS 596 69.030 8.712 3.498 1203 HB3 CYS 596 HB1 CYS 596 67.457 9.321 3.011 1204 H GLN 597 HN GLN 597 65.773 7.194 3.697 1205 HA GLN 597 HA GLN 597 66.475 4.642 4.729 1206 HB2 GLN 597 HB2 GLN 597 64.394 4.608 3.676 1207 HB3 GLN 597 HB1 GLN 597 64.931 5.628 2.374 1208 HG2 GLN 597 HG2 GLN 597 64.717 3.589 1.267 1209 HG3 GLN 597 HG1 GLN 597 66.402 3.523 1.739 1210 HE21 GLN 597 HE21 GLN 597 65.745 3.094 4.609 1211 HE22 GLN 597 HE22 GLN 597 65.209 1.507 4.726 1212 H ASN 598 HN ASN 598 67.322 6.107 1.590 1213 HA ASN 598 HA ASN 598 69.140 4.232 0.653 1214 HB2 ASN 598 HB2 ASN 598 69.914 7.126 0.457 1215 HB3 ASN 598 HB1 ASN 598 69.904 5.887 -0.791 1216 HD21 ASN 598 HD21 ASN 598 67.433 4.933 -0.911 1217 HD22 ASN 598 HD22 ASN 598 66.281 6.147 -1.165 1218 H CYS 599 HN CYS 599 69.569 6.485 3.299 1219 HA CYS 599 HA CYS 599 72.434 5.962 3.515 1220 HB2 CYS 599 HB2 CYS 599 70.457 7.304 5.384 1221 HB3 CYS 599 HB1 CYS 599 72.186 7.196 5.683 1222 H PHE 600 HN PHE 600 69.733 5.361 5.796 1223 HA PHE 600 HA PHE 600 71.043 3.511 7.440 1224 HB2 PHE 600 HB2 PHE 600 69.015 4.039 8.382 1225 HB3 PHE 600 HB1 PHE 600 68.235 4.225 6.819 1226 HD1 PHE 600 HD1 PHE 600 67.268 2.293 5.654 1227 HD2 PHE 600 HD2 PHE 600 69.049 1.890 9.534 1228 HE1 PHE 600 HE1 PHE 600 66.188 0.077 5.915 1229 HE2 PHE 600 HE2 PHE 600 67.969 -0.327 9.801 1230 HZ PHE 600 HZ PHE 600 66.539 -1.234 7.990 1231 H LEU 601 HN LEU 601 68.896 2.703 4.678 1232 HA LEU 601 HA LEU 601 69.199 -0.054 4.715 1233 HB2 LEU 601 HB2 LEU 601 68.029 0.098 2.768 1234 HB3 LEU 601 HB1 LEU 601 68.143 1.837 2.959 1235 HG LEU 601 HG LEU 601 70.315 1.750 1.643 1236 HD11 LEU 601 HD11 LEU 601 69.831 -1.115 1.889 1237 HD12 LEU 601 HD12 LEU 601 71.257 -0.279 1.289 1238 HD13 LEU 601 HD13 LEU 601 69.940 -0.662 0.189 1239 HD21 LEU 601 HD21 LEU 601 68.006 0.582 0.083 1240 HD22 LEU 601 HD22 LEU 601 69.208 1.750 -0.461 1241 HD23 LEU 601 HD23 LEU 601 67.975 2.230 0.696 1242 H LYS 602 HN LYS 602 71.431 2.357 3.447 1243 HA LYS 602 HA LYS 602 73.283 0.439 2.354 1244 HB2 LYS 602 HB2 LYS 602 73.247 3.350 2.794 1245 HB3 LYS 602 HB1 LYS 602 74.852 2.677 3.005 1246 HG2 LYS 602 HG2 LYS 602 74.481 1.499 0.747 1247 HG3 LYS 602 HG1 LYS 602 73.090 2.565 0.551 1248 HD2 LYS 602 HD2 LYS 602 74.733 3.867 -0.455 1249 HD3 LYS 602 HD1 LYS 602 74.874 4.448 1.202 1250 HE2 LYS 602 HE2 LYS 602 76.615 2.501 1.470 1251 HE3 LYS 602 HE1 LYS 602 76.654 2.537 -0.288 1252 HZ1 LYS 602 HZ1 LYS 602 77.317 4.729 1.583 1253 HZ2 LYS 602 HZ2 LYS 602 77.050 4.993 -0.073 1254 HZ3 LYS 602 HZ3 LYS 602 78.328 3.995 0.435 1255 H LEU 603 HN LEU 603 72.710 1.438 5.639 1256 HA LEU 603 HA LEU 603 75.398 0.564 6.506 1257 HB2 LEU 603 HB2 LEU 603 73.128 1.297 8.342 1258 HB3 LEU 603 HB1 LEU 603 74.864 1.434 8.626 1259 HG LEU 603 HG LEU 603 73.185 3.064 6.728 1260 HD11 LEU 603 HD11 LEU 603 74.970 4.046 8.944 1261 HD12 LEU 603 HD12 LEU 603 73.291 3.596 9.243 1262 HD13 LEU 603 HD13 LEU 603 73.667 4.907 8.125 1263 HD21 LEU 603 HD21 LEU 603 75.221 2.707 5.559 1264 HD22 LEU 603 HD22 LEU 603 76.177 2.848 7.034 1265 HD23 LEU 603 HD23 LEU 603 75.409 4.276 6.339 1266 H PHE 604 HN PHE 604 72.045 -0.441 7.409 1267 HA PHE 604 HA PHE 604 73.188 -2.969 8.463 1268 HB2 PHE 604 HB2 PHE 604 70.544 -1.559 8.674 1269 HB3 PHE 604 HB1 PHE 604 70.573 -3.303 8.925 1270 HD1 PHE 604 HD1 PHE 604 72.821 -0.421 9.855 1271 HD2 PHE 604 HD2 PHE 604 70.666 -3.897 11.183 1272 HE1 PHE 604 HE1 PHE 604 73.662 -0.066 12.154 1273 HE2 PHE 604 HE2 PHE 604 71.513 -3.538 13.484 1274 HZ PHE 604 HZ PHE 604 73.011 -1.623 13.969 1275 H CYS 605 HN CYS 605 71.298 -1.848 5.711 1276 HA CYS 605 HA CYS 605 71.052 -4.690 4.760 1277 HB2 CYS 605 HB2 CYS 605 69.515 -2.217 3.917 1278 HB3 CYS 605 HB1 CYS 605 69.281 -3.836 3.265 1279 HG CYS 605 HG CYS 605 68.682 -4.532 5.838 Start of MODEL 7 1 H MET 1 HT1 MET 1 92.975 -24.719 7.395 2 HA MET 1 HA MET 1 93.598 -22.865 6.168 3 HB2 MET 1 HB2 MET 1 94.173 -21.606 8.345 4 HB3 MET 1 HB1 MET 1 95.797 -22.266 8.157 5 HG2 MET 1 HG2 MET 1 95.817 -21.302 5.817 6 HG3 MET 1 HG1 MET 1 94.306 -20.486 6.211 7 HE1 MET 1 HE1 MET 1 93.897 -19.268 8.193 8 HE2 MET 1 HE2 MET 1 94.974 -18.052 8.874 9 HE3 MET 1 HE3 MET 1 94.986 -19.690 9.522 10 H ALA 2 HN ALA 2 96.819 -22.671 6.765 11 HA ALA 2 HA ALA 2 97.586 -25.296 5.645 12 HB1 ALA 2 HB1 ALA 2 98.276 -22.738 4.183 13 HB2 ALA 2 HB2 ALA 2 96.937 -23.783 3.705 14 HB3 ALA 2 HB3 ALA 2 98.592 -24.392 3.656 15 H LEU 3 HN LEU 3 98.750 -21.975 6.175 16 HA LEU 3 HA LEU 3 101.437 -22.390 6.625 17 HB2 LEU 3 HB2 LEU 3 99.505 -20.661 8.178 18 HB3 LEU 3 HB1 LEU 3 101.258 -20.506 8.261 19 HG LEU 3 HG LEU 3 100.727 -20.481 5.487 20 HD11 LEU 3 HD11 LEU 3 98.957 -18.820 5.191 21 HD12 LEU 3 HD12 LEU 3 98.674 -18.788 6.932 22 HD13 LEU 3 HD13 LEU 3 98.315 -20.245 6.007 23 HD21 LEU 3 HD21 LEU 3 102.347 -19.039 6.492 24 HD22 LEU 3 HD22 LEU 3 101.120 -18.245 7.476 25 HD23 LEU 3 HD23 LEU 3 101.145 -17.999 5.731 26 H ASP 4 HN ASP 4 99.421 -21.873 9.448 27 HA ASP 4 HA ASP 4 99.611 -22.752 11.599 28 HB2 ASP 4 HB2 ASP 4 98.401 -24.595 10.574 29 HB3 ASP 4 HB1 ASP 4 99.895 -25.219 9.880 30 H GLY 5 HN GLY 5 102.040 -22.054 9.896 31 HA2 GLY 5 HA2 GLY 5 104.218 -23.751 10.791 32 HA3 GLY 5 HA1 GLY 5 104.369 -22.136 10.094 33 H ILE 6 HN ILE 6 102.238 -21.567 12.281 34 HA ILE 6 HA ILE 6 104.216 -20.950 14.444 35 HB ILE 6 HB ILE 6 102.135 -19.175 14.825 36 HG12 ILE 6 HG12 ILE 6 101.193 -20.135 12.607 37 HG13 ILE 6 HG11 ILE 6 101.260 -18.389 12.792 38 HG21 ILE 6 HG21 ILE 6 104.664 -18.915 13.227 39 HG22 ILE 6 HG22 ILE 6 104.353 -18.398 14.884 40 HG23 ILE 6 HG23 ILE 6 103.606 -17.539 13.537 41 HD11 ILE 6 HD11 ILE 6 103.688 -19.623 11.591 42 HD12 ILE 6 HD12 ILE 6 102.832 -18.147 11.152 43 HD13 ILE 6 HD13 ILE 6 102.219 -19.711 10.620 44 H ARG 7 HN ARG 7 100.879 -20.340 15.132 45 HA ARG 7 HA ARG 7 100.445 -22.993 16.315 46 HB2 ARG 7 HB2 ARG 7 99.954 -21.864 18.562 47 HB3 ARG 7 HB1 ARG 7 101.638 -22.074 18.116 48 HG2 ARG 7 HG2 ARG 7 100.418 -19.501 17.234 49 HG3 ARG 7 HG1 ARG 7 100.599 -19.699 18.975 50 HD2 ARG 7 HD2 ARG 7 102.994 -20.239 18.654 51 HD3 ARG 7 HD1 ARG 7 102.800 -19.983 16.925 52 HE ARG 7 HE ARG 7 101.898 -17.615 17.968 53 HH11 ARG 7 HH11 ARG 7 103.234 -15.861 18.471 54 HH12 ARG 7 HH12 ARG 7 104.901 -16.142 18.849 55 HH21 ARG 7 HH21 ARG 7 104.686 -19.581 18.455 56 HH22 ARG 7 HH22 ARG 7 105.723 -18.248 18.840 57 H MET 8 HN MET 8 98.848 -20.178 17.646 58 HA MET 8 HA MET 8 96.588 -20.505 15.757 59 HB2 MET 8 HB2 MET 8 95.375 -20.417 18.353 60 HB3 MET 8 HB1 MET 8 95.315 -21.711 17.174 61 HG2 MET 8 HG2 MET 8 97.340 -22.709 18.025 62 HG3 MET 8 HG1 MET 8 97.623 -21.374 19.125 63 HE1 MET 8 HE1 MET 8 97.029 -24.730 19.180 64 HE2 MET 8 HE2 MET 8 96.392 -24.918 20.811 65 HE3 MET 8 HE3 MET 8 97.828 -23.933 20.542 66 HA PRO 9 HA PRO 9 95.781 -16.359 18.345 67 HB2 PRO 9 HB2 PRO 9 98.670 -16.183 19.200 68 HB3 PRO 9 HB1 PRO 9 97.237 -15.437 19.947 69 HG2 PRO 9 HG2 PRO 9 98.253 -17.601 21.010 70 HG3 PRO 9 HG1 PRO 9 96.496 -17.454 20.804 71 HD2 PRO 9 HD2 PRO 9 98.419 -19.114 19.226 72 HD3 PRO 9 HD1 PRO 9 96.750 -19.440 19.683 73 H ASP 10 HN ASP 10 98.671 -17.444 16.807 74 HA ASP 10 HA ASP 10 98.623 -15.126 14.896 75 HB2 ASP 10 HB2 ASP 10 100.667 -15.427 16.478 76 HB3 ASP 10 HB1 ASP 10 101.065 -16.815 15.469 77 H GLY 11 HN GLY 11 98.632 -18.540 15.398 78 HA2 GLY 11 HA2 GLY 11 99.069 -19.151 12.540 79 HA3 GLY 11 HA1 GLY 11 98.836 -20.323 13.832 80 H CYS 12 HN CYS 12 96.498 -18.088 14.347 81 HA CYS 12 HA CYS 12 94.578 -18.780 12.297 82 HB2 CYS 12 HB2 CYS 12 94.595 -20.939 13.374 83 HB3 CYS 12 HB1 CYS 12 94.429 -20.192 14.963 84 HG CYS 12 HG CYS 12 92.112 -19.384 13.201 85 H TYR 13 HN TYR 13 95.504 -16.981 15.036 86 HA TYR 13 HA TYR 13 94.620 -15.096 16.011 87 HB2 TYR 13 HB2 TYR 13 92.297 -15.296 14.114 88 HB3 TYR 13 HB1 TYR 13 92.977 -13.861 14.855 89 HD1 TYR 13 HD1 TYR 13 92.999 -15.952 11.957 90 HD2 TYR 13 HD2 TYR 13 95.449 -13.297 14.283 91 HE1 TYR 13 HE1 TYR 13 94.517 -15.653 10.019 92 HE2 TYR 13 HE2 TYR 13 96.966 -12.998 12.344 93 HH TYR 13 HH TYR 13 97.404 -13.567 10.249 94 H ALA 14 HN ALA 14 91.546 -16.615 15.063 95 HA ALA 14 HA ALA 14 91.005 -18.193 17.270 96 HB1 ALA 14 HB1 ALA 14 89.580 -16.270 18.547 97 HB2 ALA 14 HB2 ALA 14 90.892 -15.284 17.896 98 HB3 ALA 14 HB3 ALA 14 91.256 -16.638 18.962 99 H ASP 15 HN ASP 15 89.663 -15.563 15.319 100 HA ASP 15 HA ASP 15 87.387 -17.357 14.633 101 HB2 ASP 15 HB2 ASP 15 86.795 -15.673 16.489 102 HB3 ASP 15 HB1 ASP 15 86.952 -14.430 15.247 103 H GLY 16 HN GLY 16 89.890 -15.465 13.603 104 HA2 GLY 16 HA2 GLY 16 90.461 -15.062 11.317 105 HA3 GLY 16 HA1 GLY 16 88.777 -15.337 10.867 106 H THR 17 HN THR 17 89.753 -13.201 13.476 107 HA THR 17 HA THR 17 88.344 -10.973 12.170 108 HB THR 17 HB THR 17 89.137 -9.811 14.373 109 HG1 THR 17 HG1 THR 17 90.606 -11.815 14.584 110 HG21 THR 17 HG21 THR 17 87.239 -12.160 14.293 111 HG22 THR 17 HG22 THR 17 86.849 -10.447 14.112 112 HG23 THR 17 HG23 THR 17 87.371 -11.072 15.676 113 H TRP 18 HN TRP 18 89.366 -9.582 10.911 114 HA TRP 18 HA TRP 18 92.254 -8.977 11.369 115 HB2 TRP 18 HB2 TRP 18 92.004 -8.657 8.654 116 HB3 TRP 18 HB1 TRP 18 92.628 -10.115 9.410 117 HD1 TRP 18 HD1 TRP 18 89.320 -8.681 8.040 118 HE1 TRP 18 HE1 TRP 18 87.846 -10.660 7.277 119 HE3 TRP 18 HE3 TRP 18 92.219 -12.593 9.583 120 HZ2 TRP 18 HZ2 TRP 18 87.890 -13.516 7.324 121 HZ3 TRP 18 HZ3 TRP 18 91.481 -14.929 9.211 122 HH2 TRP 18 HH2 TRP 18 89.321 -15.395 8.085 123 H GLU 19 HN GLU 19 92.470 -6.826 11.711 124 HA GLU 19 HA GLU 19 90.206 -5.062 11.190 125 HB2 GLU 19 HB2 GLU 19 92.349 -3.385 11.872 126 HB3 GLU 19 HB1 GLU 19 91.155 -4.030 12.990 127 HG2 GLU 19 HG2 GLU 19 93.462 -4.490 13.731 128 HG3 GLU 19 HG1 GLU 19 92.556 -5.969 13.417 129 H LEU 20 HN LEU 20 89.901 -3.829 9.421 130 HA LEU 20 HA LEU 20 91.881 -4.051 7.271 131 HB2 LEU 20 HB2 LEU 20 89.064 -3.660 7.400 132 HB3 LEU 20 HB1 LEU 20 89.699 -2.174 6.705 133 HG LEU 20 HG LEU 20 89.245 -3.652 4.882 134 HD11 LEU 20 HD11 LEU 20 92.157 -4.230 5.006 135 HD12 LEU 20 HD12 LEU 20 91.705 -2.536 5.211 136 HD13 LEU 20 HD13 LEU 20 91.213 -3.414 3.764 137 HD21 LEU 20 HD21 LEU 20 90.746 -5.945 5.067 138 HD22 LEU 20 HD22 LEU 20 89.052 -5.840 5.526 139 HD23 LEU 20 HD23 LEU 20 90.307 -5.708 6.756 140 H SER 21 HN SER 21 93.350 -2.482 6.791 141 HA SER 21 HA SER 21 93.606 -0.243 8.639 142 HB2 SER 21 HB2 SER 21 95.460 -1.631 7.333 143 HB3 SER 21 HB1 SER 21 95.185 -0.403 6.101 144 HG SER 21 HG SER 21 95.501 0.377 8.776 145 H VAL 22 HN VAL 22 93.323 1.932 8.166 146 HA VAL 22 HA VAL 22 92.238 2.616 5.489 147 HB VAL 22 HB VAL 22 90.830 3.108 8.117 148 HG11 VAL 22 HG11 VAL 22 89.263 4.519 6.664 149 HG12 VAL 22 HG12 VAL 22 90.556 4.564 5.468 150 HG13 VAL 22 HG13 VAL 22 90.803 5.271 7.068 151 HG21 VAL 22 HG21 VAL 22 89.973 2.040 5.410 152 HG22 VAL 22 HG22 VAL 22 88.932 2.182 6.832 153 HG23 VAL 22 HG23 VAL 22 90.295 1.057 6.846 154 H HIS 23 HN HIS 23 93.545 4.092 4.747 155 HA HIS 23 HA HIS 23 95.001 5.927 6.536 156 HB2 HIS 23 HB2 HIS 23 94.978 5.275 3.597 157 HB3 HIS 23 HB1 HIS 23 95.782 6.742 4.158 158 HD1 HIS 23 HD1 HIS 23 98.228 6.152 4.091 159 HD2 HIS 23 HD2 HIS 23 95.952 3.143 5.863 160 HE1 HIS 23 HE1 HIS 23 99.869 4.434 4.966 161 H VAL 24 HN VAL 24 93.591 7.508 7.327 162 HA VAL 24 HA VAL 24 91.461 8.563 5.662 163 HB VAL 24 HB VAL 24 92.509 10.074 8.050 164 HG11 VAL 24 HG11 VAL 24 90.431 10.699 6.701 165 HG12 VAL 24 HG12 VAL 24 90.179 10.499 8.436 166 HG13 VAL 24 HG13 VAL 24 89.696 9.222 7.325 167 HG21 VAL 24 HG21 VAL 24 91.162 8.435 9.477 168 HG22 VAL 24 HG22 VAL 24 92.702 7.827 8.872 169 HG23 VAL 24 HG23 VAL 24 91.195 7.343 8.091 170 H THR 25 HN THR 25 92.254 9.467 3.798 171 HA THR 25 HA THR 25 94.666 11.056 3.721 172 HB THR 25 HB THR 25 94.046 11.473 1.387 173 HG1 THR 25 HG1 THR 25 91.659 10.079 1.942 174 HG21 THR 25 HG21 THR 25 93.635 9.019 0.715 175 HG22 THR 25 HG22 THR 25 93.637 8.675 2.445 176 HG23 THR 25 HG23 THR 25 95.073 9.356 1.681 177 H ASP 26 HN ASP 26 91.196 11.822 3.827 178 HA ASP 26 HA ASP 26 91.615 14.684 3.524 179 HB2 ASP 26 HB2 ASP 26 89.446 13.535 3.020 180 HB3 ASP 26 HB1 ASP 26 89.250 13.226 4.744 181 H LEU 27 HN LEU 27 92.966 12.966 5.704 182 HA LEU 27 HA LEU 27 92.713 14.975 7.840 183 HB2 LEU 27 HB2 LEU 27 91.582 12.267 7.949 184 HB3 LEU 27 HB1 LEU 27 92.630 12.596 9.313 185 HG LEU 27 HG LEU 27 90.478 14.551 8.472 186 HD11 LEU 27 HD11 LEU 27 89.156 13.443 10.395 187 HD12 LEU 27 HD12 LEU 27 90.242 12.069 10.179 188 HD13 LEU 27 HD13 LEU 27 89.202 12.588 8.853 189 HD21 LEU 27 HD21 LEU 27 90.639 15.141 10.908 190 HD22 LEU 27 HD22 LEU 27 92.146 15.403 10.034 191 HD23 LEU 27 HD23 LEU 27 91.958 13.984 11.060 192 H ASN 28 HN ASN 28 94.263 12.182 6.424 193 HA ASN 28 HA ASN 28 96.568 11.752 6.212 194 HB2 ASN 28 HB2 ASN 28 96.847 14.270 6.842 195 HB3 ASN 28 HB1 ASN 28 97.224 13.668 8.451 196 HD21 ASN 28 HD21 ASN 28 98.312 11.143 7.100 197 HD22 ASN 28 HD22 ASN 28 99.867 11.587 6.600 198 H ARG 29 HN ARG 29 94.516 10.880 8.470 199 HA ARG 29 HA ARG 29 96.488 9.804 10.402 200 HB2 ARG 29 HB2 ARG 29 93.471 9.669 10.384 201 HB3 ARG 29 HB1 ARG 29 94.525 9.123 11.690 202 HG2 ARG 29 HG2 ARG 29 95.351 11.378 12.035 203 HG3 ARG 29 HG1 ARG 29 94.437 11.959 10.648 204 HD2 ARG 29 HD2 ARG 29 93.073 12.523 12.494 205 HD3 ARG 29 HD1 ARG 29 92.360 11.035 11.869 206 HE ARG 29 HE ARG 29 94.283 10.327 13.839 207 HH11 ARG 29 HH11 ARG 29 93.570 9.812 15.923 208 HH12 ARG 29 HH12 ARG 29 92.010 10.353 16.448 209 HH21 ARG 29 HH21 ARG 29 91.265 11.949 13.461 210 HH22 ARG 29 HH22 ARG 29 90.705 11.562 15.054 211 H ASP 30 HN ASP 30 95.630 7.534 11.149 212 HA ASP 30 HA ASP 30 94.969 5.798 8.841 213 HB2 ASP 30 HB2 ASP 30 97.369 5.497 10.664 214 HB3 ASP 30 HB1 ASP 30 96.712 4.162 9.714 215 H VAL 31 HN VAL 31 93.219 4.718 9.473 216 HA VAL 31 HA VAL 31 92.933 4.009 12.382 217 HB VAL 31 HB VAL 31 90.719 4.428 10.367 218 HG11 VAL 31 HG11 VAL 31 90.078 3.036 12.237 219 HG12 VAL 31 HG12 VAL 31 89.386 4.639 12.491 220 HG13 VAL 31 HG13 VAL 31 90.827 4.149 13.380 221 HG21 VAL 31 HG21 VAL 31 91.835 6.342 12.452 222 HG22 VAL 31 HG22 VAL 31 90.387 6.623 11.487 223 HG23 VAL 31 HG23 VAL 31 91.965 6.540 10.704 224 H THR 32 HN THR 32 91.856 2.022 12.831 225 HA THR 32 HA THR 32 91.790 0.044 10.597 226 HB THR 32 HB THR 32 92.641 -1.313 12.985 227 HG1 THR 32 HG1 THR 32 94.318 0.871 12.363 228 HG21 THR 32 HG21 THR 32 94.501 -0.547 10.744 229 HG22 THR 32 HG22 THR 32 93.205 -1.717 10.479 230 HG23 THR 32 HG23 THR 32 94.455 -2.042 11.678 231 H LEU 33 HN LEU 33 90.003 -1.257 10.683 232 HA LEU 33 HA LEU 33 88.208 -1.028 13.071 233 HB2 LEU 33 HB2 LEU 33 87.754 -1.027 10.115 234 HB3 LEU 33 HB1 LEU 33 86.518 -1.756 11.116 235 HG LEU 33 HG LEU 33 86.247 0.730 10.529 236 HD11 LEU 33 HD11 LEU 33 85.224 1.225 12.629 237 HD12 LEU 33 HD12 LEU 33 86.262 0.089 13.479 238 HD13 LEU 33 HD13 LEU 33 85.038 -0.506 12.365 239 HD21 LEU 33 HD21 LEU 33 88.183 1.185 12.806 240 HD22 LEU 33 HD22 LEU 33 87.512 2.349 11.679 241 HD23 LEU 33 HD23 LEU 33 88.719 1.193 11.123 242 H ARG 34 HN ARG 34 88.359 -2.880 14.200 243 HA ARG 34 HA ARG 34 89.259 -5.383 13.217 244 HB2 ARG 34 HB2 ARG 34 89.106 -4.694 15.653 245 HB3 ARG 34 HB1 ARG 34 87.368 -4.952 15.536 246 HG2 ARG 34 HG2 ARG 34 88.308 -6.987 16.406 247 HG3 ARG 34 HG1 ARG 34 87.846 -7.297 14.734 248 HD2 ARG 34 HD2 ARG 34 90.036 -7.422 14.003 249 HD3 ARG 34 HD1 ARG 34 90.648 -6.359 15.269 250 HE ARG 34 HE ARG 34 89.629 -8.914 16.266 251 HH11 ARG 34 HH11 ARG 34 91.186 -10.275 17.177 252 HH12 ARG 34 HH12 ARG 34 92.866 -9.941 16.921 253 HH21 ARG 34 HH21 ARG 34 92.285 -7.118 14.993 254 HH22 ARG 34 HH22 ARG 34 93.488 -8.155 15.685 255 H VAL 35 HN VAL 35 88.212 -6.211 11.464 256 HA VAL 35 HA VAL 35 85.282 -6.756 11.743 257 HB VAL 35 HB VAL 35 85.075 -6.283 9.304 258 HG11 VAL 35 HG11 VAL 35 84.353 -4.581 10.857 259 HG12 VAL 35 HG12 VAL 35 85.238 -3.774 9.562 260 HG13 VAL 35 HG13 VAL 35 86.016 -4.052 11.123 261 HG21 VAL 35 HG21 VAL 35 87.313 -6.509 8.518 262 HG22 VAL 35 HG22 VAL 35 87.921 -5.342 9.688 263 HG23 VAL 35 HG23 VAL 35 86.915 -4.801 8.348 264 H THR 36 HN THR 36 84.814 -8.104 9.511 265 HA THR 36 HA THR 36 86.883 -10.204 9.179 266 HB THR 36 HB THR 36 84.940 -11.892 9.392 267 HG1 THR 36 HG1 THR 36 83.578 -9.747 9.680 268 HG21 THR 36 HG21 THR 36 85.101 -11.814 11.947 269 HG22 THR 36 HG22 THR 36 86.141 -10.411 11.715 270 HG23 THR 36 HG23 THR 36 86.606 -11.976 11.045 271 H GLY 37 HN GLY 37 85.911 -11.767 7.385 272 HA2 GLY 37 HA2 GLY 37 85.198 -10.049 5.144 273 HA3 GLY 37 HA1 GLY 37 85.498 -11.784 5.069 274 H GLU 38 HN GLU 38 83.217 -9.929 7.048 275 HA GLU 38 HA GLU 38 80.945 -11.089 5.535 276 HB2 GLU 38 HB2 GLU 38 79.863 -11.672 7.778 277 HB3 GLU 38 HB1 GLU 38 81.163 -12.738 7.243 278 HG2 GLU 38 HG2 GLU 38 82.697 -11.866 8.774 279 HG3 GLU 38 HG1 GLU 38 81.796 -10.361 8.979 280 H VAL 39 HN VAL 39 82.436 -8.458 6.911 281 HA VAL 39 HA VAL 39 79.981 -7.161 7.849 282 HB VAL 39 HB VAL 39 81.325 -5.455 8.682 283 HG11 VAL 39 HG11 VAL 39 83.323 -7.700 8.663 284 HG12 VAL 39 HG12 VAL 39 81.793 -7.855 9.525 285 HG13 VAL 39 HG13 VAL 39 82.925 -6.584 9.972 286 HG21 VAL 39 HG21 VAL 39 83.368 -6.270 6.591 287 HG22 VAL 39 HG22 VAL 39 83.717 -5.132 7.889 288 HG23 VAL 39 HG23 VAL 39 82.496 -4.738 6.690 289 H HIS 40 HN HIS 40 78.784 -5.746 6.659 290 HA HIS 40 HA HIS 40 79.248 -5.597 3.808 291 HB2 HIS 40 HB2 HIS 40 77.430 -3.656 5.214 292 HB3 HIS 40 HB1 HIS 40 77.197 -4.504 3.684 293 HD1 HIS 40 HD1 HIS 40 77.180 -7.322 4.139 294 HD2 HIS 40 HD2 HIS 40 75.860 -4.782 7.170 295 HE1 HIS 40 HE1 HIS 40 75.756 -8.733 5.686 296 H ILE 41 HN ILE 41 80.191 -3.932 2.618 297 HA ILE 41 HA ILE 41 82.222 -2.344 3.678 298 HB ILE 41 HB ILE 41 80.439 -1.397 1.424 299 HG12 ILE 41 HG12 ILE 41 82.643 -3.485 1.379 300 HG13 ILE 41 HG11 ILE 41 80.935 -3.730 1.007 301 HG21 ILE 41 HG21 ILE 41 82.408 -0.008 2.430 302 HG22 ILE 41 HG22 ILE 41 82.306 -0.194 0.682 303 HG23 ILE 41 HG23 ILE 41 83.441 -1.178 1.606 304 HD11 ILE 41 HD11 ILE 41 81.623 -3.413 -1.142 305 HD12 ILE 41 HD12 ILE 41 83.071 -2.538 -0.657 306 HD13 ILE 41 HD13 ILE 41 81.517 -1.704 -0.724 307 H GLY 42 HN GLY 42 78.962 -1.165 2.860 308 HA2 GLY 42 HA2 GLY 42 79.214 1.366 4.044 309 HA3 GLY 42 HA1 GLY 42 77.680 0.525 3.835 310 H GLY 43 HN GLY 43 79.187 -1.694 5.429 311 HA2 GLY 43 HA2 GLY 43 78.027 -1.005 8.012 312 HA3 GLY 43 HA1 GLY 43 78.980 -2.449 7.650 313 H VAL 44 HN VAL 44 81.094 -0.716 6.462 314 HA VAL 44 HA VAL 44 82.599 -0.207 8.933 315 HB VAL 44 HB VAL 44 83.233 -0.238 5.976 316 HG11 VAL 44 HG11 VAL 44 84.468 1.692 6.672 317 HG12 VAL 44 HG12 VAL 44 85.621 0.358 6.700 318 HG13 VAL 44 HG13 VAL 44 84.913 0.942 8.206 319 HG21 VAL 44 HG21 VAL 44 83.282 -2.355 7.216 320 HG22 VAL 44 HG22 VAL 44 84.386 -1.654 8.399 321 HG23 VAL 44 HG23 VAL 44 84.915 -1.896 6.734 322 H MET 45 HN MET 45 81.174 1.616 6.227 323 HA MET 45 HA MET 45 82.150 4.201 6.724 324 HB2 MET 45 HB2 MET 45 79.411 3.211 5.901 325 HB3 MET 45 HB1 MET 45 79.713 4.932 6.096 326 HG2 MET 45 HG2 MET 45 81.777 4.416 4.491 327 HG3 MET 45 HG1 MET 45 80.774 3.054 4.013 328 HE1 MET 45 HE1 MET 45 78.201 3.405 3.973 329 HE2 MET 45 HE2 MET 45 78.550 3.433 2.248 330 HE3 MET 45 HE3 MET 45 77.454 4.636 2.949 331 H LEU 46 HN LEU 46 79.676 2.357 8.420 332 HA LEU 46 HA LEU 46 78.901 4.524 10.183 333 HB2 LEU 46 HB2 LEU 46 77.727 2.198 9.525 334 HB3 LEU 46 HB1 LEU 46 78.521 1.662 11.003 335 HG LEU 46 HG LEU 46 77.489 3.903 12.007 336 HD11 LEU 46 HD11 LEU 46 76.601 4.739 9.878 337 HD12 LEU 46 HD12 LEU 46 75.276 4.398 10.987 338 HD13 LEU 46 HD13 LEU 46 75.643 3.271 9.682 339 HD21 LEU 46 HD21 LEU 46 75.340 2.570 12.480 340 HD22 LEU 46 HD22 LEU 46 76.861 1.804 12.938 341 HD23 LEU 46 HD23 LEU 46 76.033 1.307 11.462 342 H LYS 47 HN LYS 47 80.651 1.479 10.940 343 HA LYS 47 HA LYS 47 81.420 2.141 13.557 344 HB2 LYS 47 HB2 LYS 47 83.161 0.620 11.604 345 HB3 LYS 47 HB1 LYS 47 83.147 0.467 13.359 346 HG2 LYS 47 HG2 LYS 47 80.979 -0.549 13.343 347 HG3 LYS 47 HG1 LYS 47 80.729 -0.143 11.645 348 HD2 LYS 47 HD2 LYS 47 82.522 -1.642 10.968 349 HD3 LYS 47 HD1 LYS 47 82.917 -1.981 12.652 350 HE2 LYS 47 HE2 LYS 47 80.204 -2.560 11.441 351 HE3 LYS 47 HE1 LYS 47 81.507 -3.750 11.510 352 HZ1 LYS 47 HZ1 LYS 47 81.015 -4.162 13.614 353 HZ2 LYS 47 HZ2 LYS 47 79.689 -3.106 13.507 354 HZ3 LYS 47 HZ3 LYS 47 81.198 -2.529 14.032 355 H LEU 48 HN LEU 48 83.572 2.432 10.707 356 HA LEU 48 HA LEU 48 85.671 3.789 11.930 357 HB2 LEU 48 HB2 LEU 48 85.861 3.001 9.661 358 HB3 LEU 48 HB1 LEU 48 84.529 4.019 9.135 359 HG LEU 48 HG LEU 48 85.939 6.039 9.640 360 HD11 LEU 48 HD11 LEU 48 88.060 3.940 10.119 361 HD12 LEU 48 HD12 LEU 48 87.449 5.097 11.302 362 HD13 LEU 48 HD13 LEU 48 88.379 5.660 9.913 363 HD21 LEU 48 HD21 LEU 48 87.309 4.066 7.816 364 HD22 LEU 48 HD22 LEU 48 87.286 5.822 7.667 365 HD23 LEU 48 HD23 LEU 48 85.811 4.891 7.395 366 H VAL 49 HN VAL 49 82.595 5.082 10.801 367 HA VAL 49 HA VAL 49 83.303 7.866 11.225 368 HB VAL 49 HB VAL 49 80.737 6.351 10.781 369 HG11 VAL 49 HG11 VAL 49 79.568 8.543 10.685 370 HG12 VAL 49 HG12 VAL 49 80.986 9.290 11.420 371 HG13 VAL 49 HG13 VAL 49 80.052 8.088 12.312 372 HG21 VAL 49 HG21 VAL 49 80.720 7.457 8.681 373 HG22 VAL 49 HG22 VAL 49 82.400 6.984 8.931 374 HG23 VAL 49 HG23 VAL 49 81.901 8.652 9.216 375 H GLU 50 HN GLU 50 81.392 5.476 13.071 376 HA GLU 50 HA GLU 50 80.590 6.976 15.253 377 HB2 GLU 50 HB2 GLU 50 81.668 4.156 15.122 378 HB3 GLU 50 HB1 GLU 50 81.035 4.843 16.616 379 HG2 GLU 50 HG2 GLU 50 79.464 4.800 14.022 380 HG3 GLU 50 HG1 GLU 50 79.350 3.533 15.244 381 H LYS 51 HN LYS 51 83.831 5.718 14.607 382 HA LYS 51 HA LYS 51 84.956 6.529 17.134 383 HB2 LYS 51 HB2 LYS 51 86.256 5.970 14.454 384 HB3 LYS 51 HB1 LYS 51 87.116 6.126 15.986 385 HG2 LYS 51 HG2 LYS 51 86.015 4.208 16.903 386 HG3 LYS 51 HG1 LYS 51 84.879 4.137 15.561 387 HD2 LYS 51 HD2 LYS 51 86.670 3.583 14.015 388 HD3 LYS 51 HD1 LYS 51 87.856 3.730 15.307 389 HE2 LYS 51 HE2 LYS 51 87.326 1.384 15.075 390 HE3 LYS 51 HE1 LYS 51 86.596 1.970 16.564 391 HZ1 LYS 51 HZ1 LYS 51 84.996 2.136 14.135 392 HZ2 LYS 51 HZ2 LYS 51 84.513 1.846 15.736 393 HZ3 LYS 51 HZ3 LYS 51 85.215 0.600 14.821 394 H LEU 52 HN LEU 52 84.616 8.129 13.973 395 HA LEU 52 HA LEU 52 86.368 10.281 14.467 396 HB2 LEU 52 HB2 LEU 52 84.726 9.410 12.404 397 HB3 LEU 52 HB1 LEU 52 83.935 10.895 12.894 398 HG LEU 52 HG LEU 52 85.441 11.571 11.240 399 HD11 LEU 52 HD11 LEU 52 85.775 12.597 13.732 400 HD12 LEU 52 HD12 LEU 52 86.637 13.191 12.320 401 HD13 LEU 52 HD13 LEU 52 87.419 12.051 13.410 402 HD21 LEU 52 HD21 LEU 52 87.924 10.834 11.391 403 HD22 LEU 52 HD22 LEU 52 86.744 9.657 10.817 404 HD23 LEU 52 HD23 LEU 52 87.331 9.577 12.476 405 H ASP 53 HN ASP 53 82.818 10.322 14.642 406 HA ASP 53 HA ASP 53 81.357 11.397 16.091 407 HB2 ASP 53 HB2 ASP 53 83.147 10.482 17.726 408 HB3 ASP 53 HB1 ASP 53 83.680 12.149 17.834 409 H VAL 54 HN VAL 54 81.250 12.912 14.317 410 HA VAL 54 HA VAL 54 81.631 15.623 15.184 411 HB VAL 54 HB VAL 54 83.930 15.232 14.637 412 HG11 VAL 54 HG11 VAL 54 82.902 14.180 11.989 413 HG12 VAL 54 HG12 VAL 54 83.576 13.204 13.298 414 HG13 VAL 54 HG13 VAL 54 84.600 14.355 12.434 415 HG21 VAL 54 HG21 VAL 54 82.710 16.608 12.224 416 HG22 VAL 54 HG22 VAL 54 84.297 16.899 12.932 417 HG23 VAL 54 HG23 VAL 54 82.842 17.371 13.808 418 H LYS 55 HN LYS 55 80.504 17.095 13.881 419 HA LYS 55 HA LYS 55 78.441 16.000 12.190 420 HB2 LYS 55 HB2 LYS 55 78.435 18.176 13.596 421 HB3 LYS 55 HB1 LYS 55 79.289 18.886 12.230 422 HG2 LYS 55 HG2 LYS 55 76.891 19.290 12.079 423 HG3 LYS 55 HG1 LYS 55 77.446 18.321 10.741 424 HD2 LYS 55 HD2 LYS 55 76.242 16.463 11.403 425 HD3 LYS 55 HD1 LYS 55 76.451 16.810 13.112 426 HE2 LYS 55 HE2 LYS 55 74.677 18.346 13.158 427 HE3 LYS 55 HE1 LYS 55 74.720 18.587 11.411 428 HZ1 LYS 55 HZ1 LYS 55 74.234 15.956 11.597 429 HZ2 LYS 55 HZ2 LYS 55 73.028 17.140 11.425 430 HZ3 LYS 55 HZ3 LYS 55 73.410 16.529 12.964 431 H LYS 56 HN LYS 56 81.135 15.322 11.290 432 HA LYS 56 HA LYS 56 81.721 16.981 8.961 433 HB2 LYS 56 HB2 LYS 56 83.449 15.657 10.232 434 HB3 LYS 56 HB1 LYS 56 82.730 14.189 9.584 435 HG2 LYS 56 HG2 LYS 56 83.154 15.003 7.289 436 HG3 LYS 56 HG1 LYS 56 83.891 16.462 7.944 437 HD2 LYS 56 HD2 LYS 56 84.914 13.742 8.764 438 HD3 LYS 56 HD1 LYS 56 85.437 14.464 7.245 439 HE2 LYS 56 HE2 LYS 56 85.755 15.673 10.011 440 HE3 LYS 56 HE1 LYS 56 87.041 15.036 8.990 441 HZ1 LYS 56 HZ1 LYS 56 87.211 17.145 8.312 442 HZ2 LYS 56 HZ2 LYS 56 85.656 17.568 8.853 443 HZ3 LYS 56 HZ3 LYS 56 85.857 16.796 7.352 444 H ASP 57 HN ASP 57 81.497 16.231 6.758 445 HA ASP 57 HA ASP 57 78.973 14.951 6.249 446 HB2 ASP 57 HB2 ASP 57 79.938 14.924 3.829 447 HB3 ASP 57 HB1 ASP 57 79.615 16.473 4.592 448 H TRP 58 HN TRP 58 78.925 12.898 7.035 449 HA TRP 58 HA TRP 58 81.092 10.999 6.579 450 HB2 TRP 58 HB2 TRP 58 78.281 10.609 7.624 451 HB3 TRP 58 HB1 TRP 58 79.554 9.404 7.680 452 HD1 TRP 58 HD1 TRP 58 81.766 11.851 8.555 453 HE1 TRP 58 HE1 TRP 58 81.770 12.476 11.054 454 HE3 TRP 58 HE3 TRP 58 77.231 10.009 9.972 455 HZ2 TRP 58 HZ2 TRP 58 80.068 12.244 13.335 456 HZ3 TRP 58 HZ3 TRP 58 76.438 10.228 12.298 457 HH2 TRP 58 HH2 TRP 58 77.859 11.345 13.991 458 H SER 59 HN SER 59 77.765 11.400 5.348 459 HA SER 59 HA SER 59 77.688 9.098 3.713 460 HB2 SER 59 HB2 SER 59 75.882 10.977 4.223 461 HB3 SER 59 HB1 SER 59 76.453 11.633 2.694 462 HG SER 59 HG SER 59 75.522 8.987 3.162 463 H ASP 60 HN ASP 60 78.554 12.421 2.656 464 HA ASP 60 HA ASP 60 79.316 11.821 0.031 465 HB2 ASP 60 HB2 ASP 60 79.288 14.119 0.889 466 HB3 ASP 60 HB1 ASP 60 80.645 13.753 1.954 467 H HIS 61 HN HIS 61 80.884 11.015 3.011 468 HA HIS 61 HA HIS 61 83.466 10.421 1.860 469 HB2 HIS 61 HB2 HIS 61 84.072 10.259 4.050 470 HB3 HIS 61 HB1 HIS 61 82.411 10.671 4.452 471 HD1 HIS 61 HD1 HIS 61 81.336 9.009 5.963 472 HD2 HIS 61 HD2 HIS 61 84.238 7.227 3.559 473 HE1 HIS 61 HE1 HIS 61 81.428 6.569 6.636 474 H ALA 62 HN ALA 62 84.336 8.428 1.372 475 HA ALA 62 HA ALA 62 82.754 5.987 1.502 476 HB1 ALA 62 HB1 ALA 62 83.123 7.489 -1.085 477 HB2 ALA 62 HB2 ALA 62 81.682 6.675 -0.475 478 HB3 ALA 62 HB3 ALA 62 83.033 5.726 -1.095 479 H LEU 63 HN LEU 63 84.120 4.141 0.993 480 HA LEU 63 HA LEU 63 87.011 4.825 1.211 481 HB2 LEU 63 HB2 LEU 63 85.738 2.080 1.334 482 HB3 LEU 63 HB1 LEU 63 87.338 2.546 1.888 483 HG LEU 63 HG LEU 63 85.973 2.379 3.827 484 HD11 LEU 63 HD11 LEU 63 85.997 5.337 3.238 485 HD12 LEU 63 HD12 LEU 63 87.471 4.420 3.547 486 HD13 LEU 63 HD13 LEU 63 86.228 4.529 4.788 487 HD21 LEU 63 HD21 LEU 63 83.770 2.986 4.012 488 HD22 LEU 63 HD22 LEU 63 83.797 2.883 2.256 489 HD23 LEU 63 HD23 LEU 63 83.966 4.448 3.051 490 H TRP 64 HN TRP 64 88.523 4.211 -0.305 491 HA TRP 64 HA TRP 64 87.525 2.868 -2.812 492 HB2 TRP 64 HB2 TRP 64 88.012 4.728 -4.035 493 HB3 TRP 64 HB1 TRP 64 88.294 5.576 -2.546 494 HD1 TRP 64 HD1 TRP 64 90.602 3.022 -4.389 495 HE1 TRP 64 HE1 TRP 64 92.894 4.137 -4.686 496 HE3 TRP 64 HE3 TRP 64 89.552 7.651 -2.578 497 HZ2 TRP 64 HZ2 TRP 64 94.107 6.694 -4.306 498 HZ3 TRP 64 HZ3 TRP 64 91.281 9.433 -2.585 499 HH2 TRP 64 HH2 TRP 64 93.557 8.959 -3.451 500 H TRP 65 HN TRP 65 88.839 1.277 -3.596 501 HA TRP 65 HA TRP 65 91.153 0.518 -1.909 502 HB2 TRP 65 HB2 TRP 65 89.254 -1.085 -2.580 503 HB3 TRP 65 HB1 TRP 65 89.975 -1.081 -4.183 504 HD1 TRP 65 HD1 TRP 65 92.873 -0.781 -2.086 505 HE1 TRP 65 HE1 TRP 65 93.927 -3.054 -1.557 506 HE3 TRP 65 HE3 TRP 65 89.037 -3.888 -3.426 507 HZ2 TRP 65 HZ2 TRP 65 93.268 -5.827 -1.692 508 HZ3 TRP 65 HZ3 TRP 65 89.291 -6.343 -3.219 509 HH2 TRP 65 HH2 TRP 65 91.398 -7.316 -2.353 510 H GLU 66 HN GLU 66 92.740 2.032 -2.740 511 HA GLU 66 HA GLU 66 93.241 2.583 -5.453 512 HB2 GLU 66 HB2 GLU 66 95.643 2.990 -4.705 513 HB3 GLU 66 HB1 GLU 66 94.404 3.876 -3.818 514 HG2 GLU 66 HG2 GLU 66 94.417 2.191 -2.064 515 HG3 GLU 66 HG1 GLU 66 95.624 1.256 -2.943 516 H LYS 67 HN LYS 67 93.950 -0.357 -3.682 517 HA LYS 67 HA LYS 67 95.990 -1.309 -5.481 518 HB2 LYS 67 HB2 LYS 67 93.909 -3.016 -4.086 519 HB3 LYS 67 HB1 LYS 67 95.476 -3.546 -4.681 520 HG2 LYS 67 HG2 LYS 67 95.008 -1.581 -2.424 521 HG3 LYS 67 HG1 LYS 67 95.547 -3.249 -2.254 522 HD2 LYS 67 HD2 LYS 67 97.490 -2.541 -3.838 523 HD3 LYS 67 HD1 LYS 67 97.029 -0.896 -3.400 524 HE2 LYS 67 HE2 LYS 67 98.589 -1.339 -1.730 525 HE3 LYS 67 HE1 LYS 67 97.114 -1.887 -0.927 526 HZ1 LYS 67 HZ1 LYS 67 98.653 -3.761 -2.596 527 HZ2 LYS 67 HZ2 LYS 67 97.629 -4.083 -1.279 528 HZ3 LYS 67 HZ3 LYS 67 99.175 -3.426 -1.017 529 H LYS 68 HN LYS 68 92.788 -0.530 -5.778 530 HA LYS 68 HA LYS 68 92.491 -1.921 -8.392 531 HB2 LYS 68 HB2 LYS 68 90.101 -1.461 -6.620 532 HB3 LYS 68 HB1 LYS 68 90.340 -2.677 -7.871 533 HG2 LYS 68 HG2 LYS 68 91.925 -2.714 -5.282 534 HG3 LYS 68 HG1 LYS 68 90.368 -3.487 -5.442 535 HD2 LYS 68 HD2 LYS 68 91.123 -5.010 -7.073 536 HD3 LYS 68 HD1 LYS 68 92.552 -4.044 -7.432 537 HE2 LYS 68 HE2 LYS 68 93.694 -4.789 -5.555 538 HE3 LYS 68 HE1 LYS 68 92.223 -5.117 -4.645 539 HZ1 LYS 68 HZ1 LYS 68 92.395 -6.702 -7.010 540 HZ2 LYS 68 HZ2 LYS 68 92.169 -7.187 -5.398 541 HZ3 LYS 68 HZ3 LYS 68 93.738 -6.944 -6.003 542 H ARG 69 HN ARG 69 92.348 0.944 -6.551 543 HA ARG 69 HA ARG 69 91.590 3.116 -7.038 544 HB2 ARG 69 HB2 ARG 69 92.026 1.999 -9.833 545 HB3 ARG 69 HB1 ARG 69 91.515 3.656 -9.546 546 HG2 ARG 69 HG2 ARG 69 93.826 3.934 -9.657 547 HG3 ARG 69 HG1 ARG 69 93.614 3.715 -7.923 548 HD2 ARG 69 HD2 ARG 69 95.366 2.234 -8.436 549 HD3 ARG 69 HD1 ARG 69 93.952 1.185 -8.440 550 HE ARG 69 HE ARG 69 94.331 2.187 -11.079 551 HH11 ARG 69 HH11 ARG 69 95.286 0.827 -12.613 552 HH12 ARG 69 HH12 ARG 69 96.234 -0.522 -12.082 553 HH21 ARG 69 HH21 ARG 69 95.770 0.139 -8.710 554 HH22 ARG 69 HH22 ARG 69 96.508 -0.911 -9.872 555 H THR 70 HN THR 70 89.669 1.292 -6.313 556 HA THR 70 HA THR 70 87.383 1.761 -8.199 557 HB THR 70 HB THR 70 88.095 -0.596 -7.470 558 HG1 THR 70 HG1 THR 70 86.125 -1.039 -7.976 559 HG21 THR 70 HG21 THR 70 86.553 -0.073 -4.962 560 HG22 THR 70 HG22 THR 70 88.280 0.281 -4.999 561 HG23 THR 70 HG23 THR 70 87.711 -1.358 -5.312 562 H TRP 71 HN TRP 71 85.282 1.572 -6.650 563 HA TRP 71 HA TRP 71 85.621 3.440 -4.355 564 HB2 TRP 71 HB2 TRP 71 83.255 4.275 -5.060 565 HB3 TRP 71 HB1 TRP 71 84.657 4.922 -5.886 566 HD1 TRP 71 HD1 TRP 71 83.624 1.406 -6.866 567 HE1 TRP 71 HE1 TRP 71 82.567 1.460 -9.171 568 HE3 TRP 71 HE3 TRP 71 83.227 6.453 -7.544 569 HZ2 TRP 71 HZ2 TRP 71 81.674 3.365 -11.112 570 HZ3 TRP 71 HZ3 TRP 71 82.270 7.357 -9.644 571 HH2 TRP 71 HH2 TRP 71 81.493 5.820 -11.428 572 H LEU 72 HN LEU 72 85.417 1.930 -2.823 573 HA LEU 72 HA LEU 72 83.845 -0.398 -2.974 574 HB2 LEU 72 HB2 LEU 72 84.687 1.139 -0.512 575 HB3 LEU 72 HB1 LEU 72 84.230 -0.558 -0.559 576 HG LEU 72 HG LEU 72 86.466 0.569 -2.245 577 HD11 LEU 72 HD11 LEU 72 86.529 -0.507 0.560 578 HD12 LEU 72 HD12 LEU 72 87.240 0.982 -0.067 579 HD13 LEU 72 HD13 LEU 72 87.945 -0.578 -0.490 580 HD21 LEU 72 HD21 LEU 72 85.457 -2.192 -1.600 581 HD22 LEU 72 HD22 LEU 72 87.154 -1.956 -2.014 582 HD23 LEU 72 HD23 LEU 72 85.898 -1.499 -3.162 583 H LEU 73 HN LEU 73 81.877 0.306 -3.848 584 HA LEU 73 HA LEU 73 79.958 1.460 -1.852 585 HB2 LEU 73 HB2 LEU 73 78.639 2.283 -3.817 586 HB3 LEU 73 HB1 LEU 73 80.217 3.046 -3.664 587 HG LEU 73 HG LEU 73 80.894 0.969 -5.306 588 HD11 LEU 73 HD11 LEU 73 79.205 0.478 -6.908 589 HD12 LEU 73 HD12 LEU 73 78.142 1.748 -6.300 590 HD13 LEU 73 HD13 LEU 73 78.401 0.293 -5.351 591 HD21 LEU 73 HD21 LEU 73 79.614 3.542 -6.281 592 HD22 LEU 73 HD22 LEU 73 80.778 2.553 -7.161 593 HD23 LEU 73 HD23 LEU 73 81.269 3.405 -5.704 594 H LYS 74 HN LYS 74 80.894 -1.358 -3.122 595 HA LYS 74 HA LYS 74 78.327 -2.424 -4.014 596 HB2 LYS 74 HB2 LYS 74 81.091 -3.498 -3.592 597 HB3 LYS 74 HB1 LYS 74 79.770 -4.660 -3.598 598 HG2 LYS 74 HG2 LYS 74 80.682 -4.408 -5.863 599 HG3 LYS 74 HG1 LYS 74 79.030 -3.809 -5.799 600 HD2 LYS 74 HD2 LYS 74 80.459 -2.256 -7.058 601 HD3 LYS 74 HD1 LYS 74 79.870 -1.498 -5.583 602 HE2 LYS 74 HE2 LYS 74 82.417 -1.300 -6.221 603 HE3 LYS 74 HE1 LYS 74 81.959 -1.582 -4.546 604 HZ1 LYS 74 HZ1 LYS 74 82.552 -3.793 -4.662 605 HZ2 LYS 74 HZ2 LYS 74 83.748 -3.059 -5.619 606 HZ3 LYS 74 HZ3 LYS 74 82.440 -3.855 -6.353 607 H THR 75 HN THR 75 77.203 -1.659 -1.979 608 HA THR 75 HA THR 75 77.780 -3.028 0.524 609 HB THR 75 HB THR 75 75.473 -2.068 1.139 610 HG1 THR 75 HG1 THR 75 75.841 -0.612 -1.245 611 HG21 THR 75 HG21 THR 75 77.879 -0.463 0.311 612 HG22 THR 75 HG22 THR 75 77.246 -0.771 1.929 613 HG23 THR 75 HG23 THR 75 76.428 0.369 0.864 614 H HIS 76 HN HIS 76 75.996 -3.813 -2.327 615 HA HIS 76 HA HIS 76 74.133 -5.647 -1.046 616 HB2 HIS 76 HB2 HIS 76 73.739 -6.425 -3.414 617 HB3 HIS 76 HB1 HIS 76 73.503 -4.694 -3.171 618 HD1 HIS 76 HD1 HIS 76 76.533 -6.887 -3.978 619 HD2 HIS 76 HD2 HIS 76 74.751 -3.323 -5.200 620 HE1 HIS 76 HE1 HIS 76 77.992 -5.953 -5.827 621 H TRP 77 HN TRP 77 76.892 -6.126 -0.300 622 HA TRP 77 HA TRP 77 76.963 -8.957 -0.545 623 HB2 TRP 77 HB2 TRP 77 78.037 -7.553 -2.813 624 HB3 TRP 77 HB1 TRP 77 79.379 -8.296 -1.976 625 HD1 TRP 77 HD1 TRP 77 78.307 -10.973 -1.018 626 HE1 TRP 77 HE1 TRP 77 77.534 -12.802 -2.662 627 HE3 TRP 77 HE3 TRP 77 77.396 -8.117 -5.152 628 HZ2 TRP 77 HZ2 TRP 77 76.647 -13.025 -5.370 629 HZ3 TRP 77 HZ3 TRP 77 76.589 -9.163 -7.249 630 HH2 TRP 77 HH2 TRP 77 76.213 -11.611 -7.363 631 H THR 78 HN THR 78 80.139 -8.833 -0.477 632 HA THR 78 HA THR 78 80.497 -7.190 1.947 633 HB THR 78 HB THR 78 81.405 -9.896 2.579 634 HG1 THR 78 HG1 THR 78 79.737 -10.550 1.229 635 HG21 THR 78 HG21 THR 78 79.642 -9.538 4.450 636 HG22 THR 78 HG22 THR 78 79.484 -7.910 3.810 637 HG23 THR 78 HG23 THR 78 81.047 -8.475 4.417 638 H LEU 79 HN LEU 79 82.694 -6.871 2.437 639 HA LEU 79 HA LEU 79 84.523 -6.632 0.426 640 HB2 LEU 79 HB2 LEU 79 86.233 -6.571 2.029 641 HB3 LEU 79 HB1 LEU 79 84.845 -5.781 2.646 642 HG LEU 79 HG LEU 79 85.758 -8.538 3.331 643 HD11 LEU 79 HD11 LEU 79 85.614 -6.126 5.130 644 HD12 LEU 79 HD12 LEU 79 87.068 -6.531 4.213 645 HD13 LEU 79 HD13 LEU 79 86.449 -7.651 5.429 646 HD21 LEU 79 HD21 LEU 79 83.402 -8.629 3.660 647 HD22 LEU 79 HD22 LEU 79 83.328 -6.929 4.098 648 HD23 LEU 79 HD23 LEU 79 83.971 -8.100 5.240 649 H ASP 80 HN ASP 80 84.235 -9.530 2.442 650 HA ASP 80 HA ASP 80 86.219 -11.141 1.334 651 HB2 ASP 80 HB2 ASP 80 84.394 -11.626 3.098 652 HB3 ASP 80 HB1 ASP 80 83.413 -12.169 1.752 653 H LYS 81 HN LYS 81 83.118 -10.208 -0.040 654 HA LYS 81 HA LYS 81 83.247 -12.057 -2.244 655 HB2 LYS 81 HB2 LYS 81 81.096 -11.404 -2.453 656 HB3 LYS 81 HB1 LYS 81 81.355 -10.128 -1.292 657 HG2 LYS 81 HG2 LYS 81 82.107 -9.781 -4.194 658 HG3 LYS 81 HG1 LYS 81 80.481 -9.492 -3.636 659 HD2 LYS 81 HD2 LYS 81 81.596 -7.939 -1.879 660 HD3 LYS 81 HD1 LYS 81 82.990 -8.014 -2.915 661 HE2 LYS 81 HE2 LYS 81 81.497 -7.330 -4.835 662 HE3 LYS 81 HE1 LYS 81 80.257 -6.996 -3.630 663 HZ1 LYS 81 HZ1 LYS 81 81.931 -5.155 -4.396 664 HZ2 LYS 81 HZ2 LYS 81 82.924 -5.871 -3.218 665 HZ3 LYS 81 HZ3 LYS 81 81.406 -5.243 -2.786 666 H TYR 82 HN TYR 82 84.498 -8.922 -1.580 667 HA TYR 82 HA TYR 82 85.434 -8.488 -4.320 668 HB2 TYR 82 HB2 TYR 82 84.943 -6.781 -2.287 669 HB3 TYR 82 HB1 TYR 82 86.654 -7.033 -2.001 670 HD1 TYR 82 HD1 TYR 82 84.881 -4.564 -3.112 671 HD2 TYR 82 HD2 TYR 82 87.598 -7.395 -4.861 672 HE1 TYR 82 HE1 TYR 82 85.404 -2.955 -4.924 673 HE2 TYR 82 HE2 TYR 82 88.114 -5.789 -6.667 674 HH TYR 82 HH TYR 82 86.982 -3.827 -7.760 675 H GLY 83 HN GLY 83 86.939 -9.290 -1.161 676 HA2 GLY 83 HA2 GLY 83 88.559 -11.274 -1.283 677 HA3 GLY 83 HA1 GLY 83 89.256 -10.505 -2.710 678 H ILE 84 HN ILE 84 88.233 -8.264 -0.487 679 HA ILE 84 HA ILE 84 90.786 -7.142 0.058 680 HB ILE 84 HB ILE 84 88.112 -7.016 1.393 681 HG12 ILE 84 HG12 ILE 84 89.409 -4.853 -0.243 682 HG13 ILE 84 HG11 ILE 84 88.495 -6.154 -0.994 683 HG21 ILE 84 HG21 ILE 84 90.483 -5.237 1.897 684 HG22 ILE 84 HG22 ILE 84 89.706 -6.325 3.057 685 HG23 ILE 84 HG23 ILE 84 88.836 -4.922 2.452 686 HD11 ILE 84 HD11 ILE 84 87.274 -4.618 1.284 687 HD12 ILE 84 HD12 ILE 84 86.477 -5.495 -0.021 688 HD13 ILE 84 HD13 ILE 84 87.247 -3.944 -0.347 689 H GLN 85 HN GLN 85 91.837 -7.067 2.227 690 HA GLN 85 HA GLN 85 91.107 -8.991 4.262 691 HB2 GLN 85 HB2 GLN 85 92.444 -10.197 2.240 692 HB3 GLN 85 HB1 GLN 85 93.824 -9.597 3.152 693 HG2 GLN 85 HG2 GLN 85 93.530 -11.642 4.222 694 HG3 GLN 85 HG1 GLN 85 92.474 -10.642 5.219 695 HE21 GLN 85 HE21 GLN 85 90.263 -10.359 3.521 696 HE22 GLN 85 HE22 GLN 85 89.546 -11.870 3.275 697 H ALA 86 HN ALA 86 93.487 -9.213 5.608 698 HA ALA 86 HA ALA 86 93.813 -6.592 6.734 699 HB1 ALA 86 HB1 ALA 86 94.181 -8.860 7.856 700 HB2 ALA 86 HB2 ALA 86 95.388 -7.621 8.196 701 HB3 ALA 86 HB3 ALA 86 95.736 -8.900 7.029 702 H ASP 87 HN ASP 87 95.404 -8.266 4.139 703 HA ASP 87 HA ASP 87 97.770 -6.522 4.202 704 HB2 ASP 87 HB2 ASP 87 98.117 -7.718 1.896 705 HB3 ASP 87 HB1 ASP 87 98.285 -8.659 3.378 706 H ALA 88 HN ALA 88 94.620 -6.130 3.293 707 HA ALA 88 HA ALA 88 95.198 -4.436 0.913 708 HB1 ALA 88 HB1 ALA 88 92.702 -5.507 2.193 709 HB2 ALA 88 HB2 ALA 88 93.364 -5.935 0.623 710 HB3 ALA 88 HB3 ALA 88 92.653 -4.338 0.876 711 H LYS 89 HN LYS 89 95.737 -2.340 1.462 712 HA LYS 89 HA LYS 89 94.489 -1.133 3.888 713 HB2 LYS 89 HB2 LYS 89 96.566 0.245 2.206 714 HB3 LYS 89 HB1 LYS 89 96.237 0.412 3.929 715 HG2 LYS 89 HG2 LYS 89 97.383 -2.089 2.649 716 HG3 LYS 89 HG1 LYS 89 98.336 -0.838 3.417 717 HD2 LYS 89 HD2 LYS 89 97.491 -1.306 5.564 718 HD3 LYS 89 HD1 LYS 89 96.103 -2.178 4.926 719 HE2 LYS 89 HE2 LYS 89 97.794 -3.722 5.850 720 HE3 LYS 89 HE1 LYS 89 97.542 -3.965 4.120 721 HZ1 LYS 89 HZ1 LYS 89 99.561 -3.072 3.601 722 HZ2 LYS 89 HZ2 LYS 89 99.938 -3.755 5.110 723 HZ3 LYS 89 HZ3 LYS 89 99.623 -2.090 4.983 724 H LEU 90 HN LEU 90 92.698 -0.101 3.601 725 HA LEU 90 HA LEU 90 92.050 1.135 0.976 726 HB2 LEU 90 HB2 LEU 90 90.147 1.140 3.300 727 HB3 LEU 90 HB1 LEU 90 89.802 1.027 1.577 728 HG LEU 90 HG LEU 90 91.045 -1.129 3.295 729 HD11 LEU 90 HD11 LEU 90 88.896 -2.323 2.588 730 HD12 LEU 90 HD12 LEU 90 88.315 -0.743 2.063 731 HD13 LEU 90 HD13 LEU 90 88.710 -1.018 3.759 732 HD21 LEU 90 HD21 LEU 90 90.383 -1.016 0.338 733 HD22 LEU 90 HD22 LEU 90 90.741 -2.513 1.202 734 HD23 LEU 90 HD23 LEU 90 91.973 -1.260 1.062 735 H GLN 91 HN GLN 91 90.745 3.296 1.329 736 HA GLN 91 HA GLN 91 92.107 5.011 3.362 737 HB2 GLN 91 HB2 GLN 91 91.534 5.938 0.537 738 HB3 GLN 91 HB1 GLN 91 92.489 6.754 1.766 739 HG2 GLN 91 HG2 GLN 91 94.337 5.359 1.468 740 HG3 GLN 91 HG1 GLN 91 93.382 4.038 0.838 741 HE21 GLN 91 HE21 GLN 91 92.503 7.039 -0.491 742 HE22 GLN 91 HE22 GLN 91 93.326 6.881 -1.946 743 H PHE 92 HN PHE 92 90.869 6.923 3.888 744 HA PHE 92 HA PHE 92 87.948 6.686 3.241 745 HB2 PHE 92 HB2 PHE 92 88.190 6.242 5.563 746 HB3 PHE 92 HB1 PHE 92 89.408 7.483 5.773 747 HD1 PHE 92 HD1 PHE 92 88.644 9.973 5.407 748 HD2 PHE 92 HD2 PHE 92 85.927 6.702 5.989 749 HE1 PHE 92 HE1 PHE 92 86.884 11.560 6.106 750 HE2 PHE 92 HE2 PHE 92 84.173 8.289 6.707 751 HZ PHE 92 HZ PHE 92 84.644 10.721 6.755 752 H THR 93 HN THR 93 87.148 8.394 2.100 753 HA THR 93 HA THR 93 88.216 11.093 2.538 754 HB THR 93 HB THR 93 89.875 10.802 0.968 755 HG1 THR 93 HG1 THR 93 89.182 11.426 -1.041 756 HG21 THR 93 HG21 THR 93 88.189 8.582 -0.196 757 HG22 THR 93 HG22 THR 93 89.655 8.413 0.772 758 HG23 THR 93 HG23 THR 93 89.744 9.095 -0.844 759 HA PRO 94 HA PRO 94 84.208 12.480 1.332 760 HB2 PRO 94 HB2 PRO 94 84.880 14.450 -0.594 761 HB3 PRO 94 HB1 PRO 94 84.737 14.702 1.155 762 HG2 PRO 94 HG2 PRO 94 87.174 14.233 -0.493 763 HG3 PRO 94 HG1 PRO 94 86.954 15.265 0.932 764 HD2 PRO 94 HD2 PRO 94 88.229 12.922 1.132 765 HD3 PRO 94 HD1 PRO 94 87.144 13.470 2.427 766 H TYR 541 HT1 TYR 541 47.745 43.466 9.585 767 HA TYR 541 HA TYR 541 48.759 43.512 11.812 768 HB2 TYR 541 HB2 TYR 541 46.776 44.706 12.836 769 HB3 TYR 541 HB1 TYR 541 45.900 43.176 12.758 770 HD1 TYR 541 HD1 TYR 541 46.156 41.569 14.469 771 HD2 TYR 541 HD2 TYR 541 49.056 44.711 14.055 772 HE1 TYR 541 HE1 TYR 541 47.239 40.847 16.579 773 HE2 TYR 541 HE2 TYR 541 50.139 43.989 16.165 774 HH TYR 541 HH TYR 541 49.561 41.035 17.610 775 H HIS 542 HN HIS 542 47.622 41.784 9.530 776 HA HIS 542 HA HIS 542 46.739 39.304 10.632 777 HB2 HIS 542 HB2 HIS 542 48.374 39.505 8.105 778 HB3 HIS 542 HB1 HIS 542 47.010 38.450 8.462 779 HD1 HIS 542 HD1 HIS 542 46.981 40.283 5.953 780 HD2 HIS 542 HD2 HIS 542 45.306 41.321 9.627 781 HE1 HIS 542 HE1 HIS 542 45.238 42.056 5.471 782 H GLU 543 HN GLU 543 48.717 37.555 9.342 783 HA GLU 543 HA GLU 543 51.287 38.027 10.609 784 HB2 GLU 543 HB2 GLU 543 50.879 35.723 11.961 785 HB3 GLU 543 HB1 GLU 543 50.531 37.299 12.670 786 HG2 GLU 543 HG2 GLU 543 48.216 37.110 12.285 787 HG3 GLU 543 HG1 GLU 543 48.422 35.840 11.082 788 H ARG 544 HN ARG 544 49.647 34.924 10.162 789 HA ARG 544 HA ARG 544 50.373 33.063 8.924 790 HB2 ARG 544 HB2 ARG 544 49.932 35.356 7.038 791 HB3 ARG 544 HB1 ARG 544 50.369 33.771 6.414 792 HG2 ARG 544 HG2 ARG 544 47.950 33.923 6.425 793 HG3 ARG 544 HG1 ARG 544 48.433 32.805 7.696 794 HD2 ARG 544 HD2 ARG 544 47.888 34.289 9.405 795 HD3 ARG 544 HD1 ARG 544 48.095 35.707 8.378 796 HE ARG 544 HE ARG 544 45.940 34.405 7.241 797 HH11 ARG 544 HH11 ARG 544 43.804 34.813 7.862 798 HH12 ARG 544 HH12 ARG 544 43.479 35.414 9.454 799 HH21 ARG 544 HH21 ARG 544 46.810 35.466 10.404 800 HH22 ARG 544 HH22 ARG 544 45.179 35.783 10.892 801 H ARG 545 HN ARG 545 52.605 34.594 10.094 802 HA ARG 545 HA ARG 545 54.709 35.083 8.302 803 HB2 ARG 545 HB2 ARG 545 55.702 33.745 10.724 804 HB3 ARG 545 HB1 ARG 545 55.933 35.402 10.199 805 HG2 ARG 545 HG2 ARG 545 54.769 35.644 12.220 806 HG3 ARG 545 HG1 ARG 545 53.499 35.806 11.017 807 HD2 ARG 545 HD2 ARG 545 52.619 33.660 11.495 808 HD3 ARG 545 HD1 ARG 545 54.124 33.099 12.205 809 HE ARG 545 HE ARG 545 53.336 35.157 13.876 810 HH11 ARG 545 HH11 ARG 545 52.016 34.812 15.679 811 HH12 ARG 545 HH12 ARG 545 50.961 33.440 15.712 812 HH21 ARG 545 HH21 ARG 545 51.925 32.289 12.586 813 HH22 ARG 545 HH22 ARG 545 50.909 32.010 13.961 814 H GLY 546 HN GLY 546 54.690 32.107 10.268 815 HA2 GLY 546 HA2 GLY 546 54.785 30.365 7.950 816 HA3 GLY 546 HA1 GLY 546 56.381 30.586 8.668 817 H SER 547 HN SER 547 56.859 29.542 10.593 818 HA SER 547 HA SER 547 54.846 28.457 12.364 819 HB2 SER 547 HB2 SER 547 56.039 26.732 10.225 820 HB3 SER 547 HB1 SER 547 55.783 26.020 11.815 821 HG SER 547 HG SER 547 53.979 25.862 10.311 822 H LEU 548 HN LEU 548 55.946 28.699 14.280 823 HA LEU 548 HA LEU 548 58.731 29.097 14.432 824 HB2 LEU 548 HB2 LEU 548 56.528 28.663 16.353 825 HB3 LEU 548 HB1 LEU 548 58.107 28.187 16.964 826 HG LEU 548 HG LEU 548 58.957 30.474 16.205 827 HD11 LEU 548 HD11 LEU 548 57.042 32.195 16.072 828 HD12 LEU 548 HD12 LEU 548 56.001 30.815 15.728 829 HD13 LEU 548 HD13 LEU 548 57.342 31.199 14.655 830 HD21 LEU 548 HD21 LEU 548 58.199 29.822 18.577 831 HD22 LEU 548 HD22 LEU 548 56.729 30.723 18.212 832 HD23 LEU 548 HD23 LEU 548 58.295 31.539 18.190 833 H CYS 549 HN CYS 549 60.477 27.767 14.643 834 HA CYS 549 HA CYS 549 60.003 24.884 14.259 835 HB2 CYS 549 HB2 CYS 549 61.848 25.653 13.004 836 HB3 CYS 549 HB1 CYS 549 62.398 26.714 14.287 837 H SER 550 HN SER 550 59.286 24.005 16.107 838 HA SER 550 HA SER 550 59.679 24.833 18.722 839 HB2 SER 550 HB2 SER 550 58.081 23.168 18.471 840 HB3 SER 550 HB1 SER 550 59.150 22.142 17.517 841 HG SER 550 HG SER 550 59.993 22.760 20.087 842 H GLY 551 HN GLY 551 61.344 24.984 19.977 843 HA2 GLY 551 HA2 GLY 551 63.341 23.974 21.057 844 HA3 GLY 551 HA1 GLY 551 63.779 23.306 19.479 845 H CYS 552 HN CYS 552 62.957 25.611 18.021 846 HA CYS 552 HA CYS 552 65.215 27.473 18.624 847 HB2 CYS 552 HB2 CYS 552 63.751 26.585 16.154 848 HB3 CYS 552 HB1 CYS 552 64.527 28.160 16.164 849 H GLN 553 HN GLN 553 61.803 27.126 17.917 850 HA GLN 553 HA GLN 553 60.039 28.572 18.052 851 HB2 GLN 553 HB2 GLN 553 61.748 29.748 20.226 852 HB3 GLN 553 HB1 GLN 553 60.059 30.179 19.943 853 HG2 GLN 553 HG2 GLN 553 61.022 27.354 20.398 854 HG3 GLN 553 HG1 GLN 553 60.360 28.370 21.663 855 HE21 GLN 553 HE21 GLN 553 59.574 26.714 18.635 856 HE22 GLN 553 HE22 GLN 553 57.892 26.688 18.871 857 H LYS 554 HN LYS 554 61.227 29.051 15.972 858 HA LYS 554 HA LYS 554 61.178 31.991 15.627 859 HB2 LYS 554 HB2 LYS 554 63.306 30.173 14.460 860 HB3 LYS 554 HB1 LYS 554 63.094 31.865 14.031 861 HG2 LYS 554 HG2 LYS 554 63.646 30.883 16.842 862 HG3 LYS 554 HG1 LYS 554 64.889 31.472 15.744 863 HD2 LYS 554 HD2 LYS 554 63.348 33.597 15.563 864 HD3 LYS 554 HD1 LYS 554 62.652 32.994 17.066 865 HE2 LYS 554 HE2 LYS 554 64.421 34.522 17.654 866 HE3 LYS 554 HE1 LYS 554 64.988 32.892 18.014 867 HZ1 LYS 554 HZ1 LYS 554 66.615 33.093 16.542 868 HZ2 LYS 554 HZ2 LYS 554 66.232 34.744 16.422 869 HZ3 LYS 554 HZ3 LYS 554 65.562 33.631 15.327 870 HA PRO 555 HA PRO 555 58.124 30.418 12.659 871 HB2 PRO 555 HB2 PRO 555 58.913 32.788 11.063 872 HB3 PRO 555 HB1 PRO 555 57.307 32.257 11.569 873 HG2 PRO 555 HG2 PRO 555 58.656 34.340 12.755 874 HG3 PRO 555 HG1 PRO 555 57.435 33.373 13.587 875 HD2 PRO 555 HD2 PRO 555 60.349 33.438 14.043 876 HD3 PRO 555 HD1 PRO 555 59.079 32.721 15.064 877 H ILE 556 HN ILE 556 58.296 28.995 11.098 878 HA ILE 556 HA ILE 556 60.832 28.683 9.600 879 HB ILE 556 HB ILE 556 58.340 26.973 9.899 880 HG12 ILE 556 HG12 ILE 556 61.130 26.213 10.762 881 HG13 ILE 556 HG11 ILE 556 60.177 27.254 11.797 882 HG21 ILE 556 HG21 ILE 556 59.191 26.523 7.719 883 HG22 ILE 556 HG22 ILE 556 59.803 25.240 8.762 884 HG23 ILE 556 HG23 ILE 556 60.861 26.564 8.286 885 HD11 ILE 556 HD11 ILE 556 60.081 24.546 11.941 886 HD12 ILE 556 HD12 ILE 556 58.780 24.815 10.785 887 HD13 ILE 556 HD13 ILE 556 58.717 25.569 12.378 888 H THR 557 HN THR 557 60.712 30.257 7.955 889 HA THR 557 HA THR 557 58.209 30.427 6.348 890 HB THR 557 HB THR 557 58.953 32.544 5.658 891 HG1 THR 557 HG1 THR 557 61.494 32.334 6.729 892 HG21 THR 557 HG21 THR 557 58.462 32.247 8.144 893 HG22 THR 557 HG22 THR 557 59.417 33.670 7.719 894 HG23 THR 557 HG23 THR 557 60.208 32.243 8.391 895 H GLY 558 HN GLY 558 58.396 28.554 5.126 896 HA2 GLY 558 HA2 GLY 558 59.313 28.591 2.569 897 HA3 GLY 558 HA1 GLY 558 60.744 28.038 3.452 898 H ARG 559 HN ARG 559 60.748 26.005 4.344 899 HA ARG 559 HA ARG 559 58.395 24.241 3.783 900 HB2 ARG 559 HB2 ARG 559 61.378 23.823 3.671 901 HB3 ARG 559 HB1 ARG 559 60.349 22.448 4.068 902 HG2 ARG 559 HG2 ARG 559 59.669 24.165 1.688 903 HG3 ARG 559 HG1 ARG 559 60.947 22.962 1.546 904 HD2 ARG 559 HD2 ARG 559 59.481 21.167 1.910 905 HD3 ARG 559 HD1 ARG 559 58.277 22.181 2.705 906 HE ARG 559 HE ARG 559 58.379 23.177 0.121 907 HH11 ARG 559 HH11 ARG 559 57.048 22.399 -1.530 908 HH12 ARG 559 HH12 ARG 559 56.419 20.788 -1.432 909 HH21 ARG 559 HH21 ARG 559 57.953 20.092 1.599 910 HH22 ARG 559 HH22 ARG 559 56.931 19.482 0.340 911 H CYS 560 HN CYS 560 57.828 22.788 5.527 912 HA CYS 560 HA CYS 560 59.282 23.186 8.077 913 HB2 CYS 560 HB2 CYS 560 57.194 23.633 9.309 914 HB3 CYS 560 HB1 CYS 560 57.563 24.908 8.145 915 HG CYS 560 HG CYS 560 55.092 24.312 7.699 916 H ILE 561 HN ILE 561 59.590 21.383 9.067 917 HA ILE 561 HA ILE 561 58.075 18.978 8.271 918 HB ILE 561 HB ILE 561 60.442 19.387 10.125 919 HG12 ILE 561 HG12 ILE 561 60.148 18.344 7.312 920 HG13 ILE 561 HG11 ILE 561 60.883 19.872 7.768 921 HG21 ILE 561 HG21 ILE 561 59.318 16.799 9.012 922 HG22 ILE 561 HG22 ILE 561 59.040 17.351 10.667 923 HG23 ILE 561 HG23 ILE 561 60.673 16.972 10.126 924 HD11 ILE 561 HD11 ILE 561 62.533 18.554 9.154 925 HD12 ILE 561 HD12 ILE 561 62.680 18.311 7.413 926 HD13 ILE 561 HD13 ILE 561 61.886 17.088 8.412 927 H THR 562 HN THR 562 56.860 17.852 9.709 928 HA THR 562 HA THR 562 56.221 19.188 12.315 929 HB THR 562 HB THR 562 54.241 17.568 10.724 930 HG1 THR 562 HG1 THR 562 54.744 20.352 10.725 931 HG21 THR 562 HG21 THR 562 52.637 18.555 12.226 932 HG22 THR 562 HG22 THR 562 53.851 19.657 12.875 933 HG23 THR 562 HG23 THR 562 53.961 17.929 13.212 934 H ALA 563 HN ALA 563 55.895 17.899 14.032 935 HA ALA 563 HA ALA 563 56.582 15.003 13.721 936 HB1 ALA 563 HB1 ALA 563 57.777 15.201 15.884 937 HB2 ALA 563 HB2 ALA 563 57.391 16.926 15.915 938 HB3 ALA 563 HB3 ALA 563 58.461 16.291 14.663 939 H MET 564 HN MET 564 56.271 15.458 16.798 940 HA MET 564 HA MET 564 53.727 14.219 17.119 941 HB2 MET 564 HB2 MET 564 54.926 15.772 19.368 942 HB3 MET 564 HB1 MET 564 54.382 14.096 19.332 943 HG2 MET 564 HG2 MET 564 56.705 13.812 19.464 944 HG3 MET 564 HG1 MET 564 56.490 13.787 17.728 945 HE1 MET 564 HE1 MET 564 59.111 14.102 18.657 946 HE2 MET 564 HE2 MET 564 58.905 14.954 20.185 947 HE3 MET 564 HE3 MET 564 59.831 15.701 18.886 948 H ALA 565 HN ALA 565 53.848 16.753 15.679 949 HA ALA 565 HA ALA 565 52.043 18.303 15.320 950 HB1 ALA 565 HB1 ALA 565 50.741 19.200 17.087 951 HB2 ALA 565 HB2 ALA 565 51.905 18.710 18.314 952 HB3 ALA 565 HB3 ALA 565 50.913 17.496 17.497 953 H LYS 566 HN LYS 566 54.957 18.182 16.886 954 HA LYS 566 HA LYS 566 55.341 21.070 17.240 955 HB2 LYS 566 HB2 LYS 566 57.390 18.837 17.222 956 HB3 LYS 566 HB1 LYS 566 57.597 20.446 17.886 957 HG2 LYS 566 HG2 LYS 566 55.527 18.466 18.877 958 HG3 LYS 566 HG1 LYS 566 57.112 18.668 19.603 959 HD2 LYS 566 HD2 LYS 566 56.096 20.234 20.935 960 HD3 LYS 566 HD1 LYS 566 56.226 21.295 19.536 961 HE2 LYS 566 HE2 LYS 566 53.952 21.465 20.028 962 HE3 LYS 566 HE1 LYS 566 53.930 20.152 18.851 963 HZ1 LYS 566 HZ1 LYS 566 52.645 19.670 20.879 964 HZ2 LYS 566 HZ2 LYS 566 54.075 19.772 21.792 965 HZ3 LYS 566 HZ3 LYS 566 53.899 18.558 20.617 966 H LYS 567 HN LYS 567 56.718 22.341 15.869 967 HA LYS 567 HA LYS 567 56.917 21.285 13.091 968 HB2 LYS 567 HB2 LYS 567 57.597 24.094 13.877 969 HB3 LYS 567 HB1 LYS 567 56.916 23.510 12.372 970 HG2 LYS 567 HG2 LYS 567 55.483 23.664 15.047 971 HG3 LYS 567 HG1 LYS 567 55.205 24.709 13.662 972 HD2 LYS 567 HD2 LYS 567 54.746 21.692 13.658 973 HD3 LYS 567 HD1 LYS 567 53.490 22.913 13.854 974 HE2 LYS 567 HE2 LYS 567 54.353 23.907 11.631 975 HE3 LYS 567 HE1 LYS 567 55.184 22.367 11.423 976 HZ1 LYS 567 HZ1 LYS 567 53.275 21.615 10.613 977 HZ2 LYS 567 HZ2 LYS 567 52.412 22.983 11.135 978 HZ3 LYS 567 HZ3 LYS 567 52.660 21.677 12.192 979 H PHE 568 HN PHE 568 59.060 22.182 11.941 980 HA PHE 568 HA PHE 568 61.354 22.273 13.779 981 HB2 PHE 568 HB2 PHE 568 60.438 19.754 12.543 982 HB3 PHE 568 HB1 PHE 568 62.128 20.078 12.203 983 HD1 PHE 568 HD1 PHE 568 63.636 20.705 14.221 984 HD2 PHE 568 HD2 PHE 568 59.779 18.859 14.627 985 HE1 PHE 568 HE1 PHE 568 64.236 19.953 16.506 986 HE2 PHE 568 HE2 PHE 568 60.379 18.107 16.913 987 HZ PHE 568 HZ PHE 568 62.608 18.654 17.852 988 H HIS 569 HN HIS 569 63.009 23.336 12.816 989 HA HIS 569 HA HIS 569 62.764 24.545 10.266 990 HB2 HIS 569 HB2 HIS 569 65.031 23.967 12.118 991 HB3 HIS 569 HB1 HIS 569 65.435 24.476 10.491 992 HD2 HIS 569 HD2 HIS 569 63.723 27.033 9.916 993 HE1 HIS 569 HE1 HIS 569 64.536 28.306 13.856 994 HA PRO 570 HA PRO 570 63.056 20.550 8.053 995 HB2 PRO 570 HB2 PRO 570 63.960 22.354 5.842 996 HB3 PRO 570 HB1 PRO 570 62.714 21.094 5.828 997 HG2 PRO 570 HG2 PRO 570 62.092 23.741 5.905 998 HG3 PRO 570 HG1 PRO 570 61.083 22.508 6.669 999 HD2 PRO 570 HD2 PRO 570 62.821 24.539 7.952 1000 HD3 PRO 570 HD1 PRO 570 61.448 23.633 8.634 1001 H GLU 571 HN GLU 571 65.539 22.782 8.778 1002 HA GLU 571 HA GLU 571 67.686 21.042 7.680 1003 HB2 GLU 571 HB2 GLU 571 68.145 23.659 9.099 1004 HB3 GLU 571 HB1 GLU 571 69.105 22.897 7.832 1005 HG2 GLU 571 HG2 GLU 571 67.085 23.207 6.308 1006 HG3 GLU 571 HG1 GLU 571 66.423 24.244 7.575 1007 H HIS 572 HN HIS 572 66.858 22.753 10.697 1008 HA HIS 572 HA HIS 572 68.820 21.508 12.324 1009 HB2 HIS 572 HB2 HIS 572 66.070 22.359 13.270 1010 HB3 HIS 572 HB1 HIS 572 67.549 22.275 14.227 1011 HD2 HIS 572 HD2 HIS 572 69.230 23.648 11.477 1012 HE1 HIS 572 HE1 HIS 572 67.194 27.105 12.762 1013 H PHE 573 HN PHE 573 66.362 20.002 10.696 1014 HA PHE 573 HA PHE 573 66.487 17.642 12.553 1015 HB2 PHE 573 HB2 PHE 573 64.205 18.914 12.350 1016 HB3 PHE 573 HB1 PHE 573 64.128 18.171 10.757 1017 HD1 PHE 573 HD1 PHE 573 63.712 15.815 10.484 1018 HD2 PHE 573 HD2 PHE 573 64.328 17.484 14.393 1019 HE1 PHE 573 HE1 PHE 573 62.947 13.692 11.511 1020 HE2 PHE 573 HE2 PHE 573 63.562 15.362 15.421 1021 HZ PHE 573 HZ PHE 573 62.871 13.465 13.980 1022 H VAL 574 HN VAL 574 68.395 17.829 10.776 1023 HA VAL 574 HA VAL 574 67.640 16.605 8.212 1024 HB VAL 574 HB VAL 574 70.095 16.817 7.738 1025 HG11 VAL 574 HG11 VAL 574 68.110 18.927 8.077 1026 HG12 VAL 574 HG12 VAL 574 69.303 18.724 6.813 1027 HG13 VAL 574 HG13 VAL 574 69.742 19.568 8.275 1028 HG21 VAL 574 HG21 VAL 574 71.446 18.140 9.316 1029 HG22 VAL 574 HG22 VAL 574 70.826 16.695 10.111 1030 HG23 VAL 574 HG23 VAL 574 70.073 18.266 10.414 1031 H CYS 575 HN CYS 575 69.360 14.862 7.482 1032 HA CYS 575 HA CYS 575 69.184 12.590 9.335 1033 HB2 CYS 575 HB2 CYS 575 69.096 11.562 7.305 1034 HB3 CYS 575 HB1 CYS 575 69.653 13.024 6.503 1035 H ALA 576 HN ALA 576 71.013 11.599 10.419 1036 HA ALA 576 HA ALA 576 73.356 13.494 10.534 1037 HB1 ALA 576 HB1 ALA 576 74.014 11.730 12.397 1038 HB2 ALA 576 HB2 ALA 576 72.319 11.246 12.278 1039 HB3 ALA 576 HB3 ALA 576 72.737 12.901 12.722 1040 H PHE 577 HN PHE 577 73.799 12.774 8.309 1041 HA PHE 577 HA PHE 577 76.028 10.947 8.309 1042 HB2 PHE 577 HB2 PHE 577 73.620 9.794 7.385 1043 HB3 PHE 577 HB1 PHE 577 74.417 10.318 5.906 1044 HD1 PHE 577 HD1 PHE 577 75.737 8.589 4.907 1045 HD2 PHE 577 HD2 PHE 577 75.490 8.835 9.168 1046 HE1 PHE 577 HE1 PHE 577 77.305 6.695 5.103 1047 HE2 PHE 577 HE2 PHE 577 77.053 6.940 9.377 1048 HZ PHE 577 HZ PHE 577 77.962 5.860 7.342 1049 H CYS 578 HN CYS 578 73.716 12.798 6.588 1050 HA CYS 578 HA CYS 578 75.789 14.612 5.479 1051 HB2 CYS 578 HB2 CYS 578 74.502 14.769 3.388 1052 HB3 CYS 578 HB1 CYS 578 74.969 13.099 3.657 1053 H LEU 579 HN LEU 579 75.164 15.771 7.403 1054 HA LEU 579 HA LEU 579 72.634 16.415 8.288 1055 HB2 LEU 579 HB2 LEU 579 73.733 18.593 9.146 1056 HB3 LEU 579 HB1 LEU 579 74.347 17.054 9.714 1057 HG LEU 579 HG LEU 579 76.057 18.833 9.002 1058 HD11 LEU 579 HD11 LEU 579 76.229 16.070 8.984 1059 HD12 LEU 579 HD12 LEU 579 77.580 17.179 8.767 1060 HD13 LEU 579 HD13 LEU 579 76.783 16.489 7.360 1061 HD21 LEU 579 HD21 LEU 579 75.280 17.915 6.220 1062 HD22 LEU 579 HD22 LEU 579 76.554 19.051 6.645 1063 HD23 LEU 579 HD23 LEU 579 74.870 19.484 6.914 1064 H LYS 580 HN LYS 580 73.084 17.005 5.119 1065 HA LYS 580 HA LYS 580 72.286 19.854 5.176 1066 HB2 LYS 580 HB2 LYS 580 72.782 19.932 2.932 1067 HB3 LYS 580 HB1 LYS 580 73.764 18.553 3.390 1068 HG2 LYS 580 HG2 LYS 580 70.963 18.310 2.214 1069 HG3 LYS 580 HG1 LYS 580 72.445 18.227 1.279 1070 HD2 LYS 580 HD2 LYS 580 73.119 16.212 2.236 1071 HD3 LYS 580 HD1 LYS 580 72.111 16.434 3.661 1072 HE2 LYS 580 HE2 LYS 580 71.335 14.721 1.871 1073 HE3 LYS 580 HE1 LYS 580 70.149 15.850 2.526 1074 HZ1 LYS 580 HZ1 LYS 580 71.410 15.802 -0.116 1075 HZ2 LYS 580 HZ2 LYS 580 70.999 17.312 0.547 1076 HZ3 LYS 580 HZ3 LYS 580 69.801 16.131 0.307 1077 H GLN 581 HN GLN 581 70.534 16.744 4.467 1078 HA GLN 581 HA GLN 581 68.107 18.212 5.084 1079 HB2 GLN 581 HB2 GLN 581 68.562 18.851 2.727 1080 HB3 GLN 581 HB1 GLN 581 68.240 17.179 2.273 1081 HG2 GLN 581 HG2 GLN 581 66.162 18.317 2.020 1082 HG3 GLN 581 HG1 GLN 581 66.012 17.453 3.537 1083 HE21 GLN 581 HE21 GLN 581 66.474 18.776 5.561 1084 HE22 GLN 581 HE22 GLN 581 66.120 20.428 5.517 1085 H LEU 582 HN LEU 582 66.427 17.076 5.692 1086 HA LEU 582 HA LEU 582 66.254 14.182 5.084 1087 HB2 LEU 582 HB2 LEU 582 67.341 14.629 7.336 1088 HB3 LEU 582 HB1 LEU 582 65.801 15.285 7.858 1089 HG LEU 582 HG LEU 582 64.732 13.108 7.375 1090 HD11 LEU 582 HD11 LEU 582 65.820 11.899 5.767 1091 HD12 LEU 582 HD12 LEU 582 66.704 11.227 7.134 1092 HD13 LEU 582 HD13 LEU 582 67.399 12.547 6.193 1093 HD21 LEU 582 HD21 LEU 582 66.224 11.785 9.125 1094 HD22 LEU 582 HD22 LEU 582 65.320 13.218 9.610 1095 HD23 LEU 582 HD23 LEU 582 67.043 13.341 9.275 1096 H ASN 583 HN ASN 583 63.995 13.387 5.783 1097 HA ASN 583 HA ASN 583 61.941 15.538 5.852 1098 HB2 ASN 583 HB2 ASN 583 62.304 13.523 3.627 1099 HB3 ASN 583 HB1 ASN 583 60.704 14.155 4.003 1100 HD21 ASN 583 HD21 ASN 583 61.648 14.770 1.522 1101 HD22 ASN 583 HD22 ASN 583 62.138 16.388 1.444 1102 H LYS 584 HN LYS 584 60.335 14.952 7.215 1103 HA LYS 584 HA LYS 584 60.402 12.668 8.836 1104 HB2 LYS 584 HB2 LYS 584 57.953 13.145 9.211 1105 HB3 LYS 584 HB1 LYS 584 59.006 14.540 9.453 1106 HG2 LYS 584 HG2 LYS 584 58.550 15.307 7.156 1107 HG3 LYS 584 HG1 LYS 584 57.511 13.914 6.887 1108 HD2 LYS 584 HD2 LYS 584 57.058 16.220 8.804 1109 HD3 LYS 584 HD1 LYS 584 56.098 15.797 7.390 1110 HE2 LYS 584 HE2 LYS 584 55.720 13.526 8.618 1111 HE3 LYS 584 HE1 LYS 584 56.239 14.410 10.055 1112 HZ1 LYS 584 HZ1 LYS 584 54.258 15.710 8.365 1113 HZ2 LYS 584 HZ2 LYS 584 54.396 15.682 10.058 1114 HZ3 LYS 584 HZ3 LYS 584 53.730 14.353 9.235 1115 H GLY 585 HN GLY 585 59.302 13.020 5.589 1116 HA2 GLY 585 HA2 GLY 585 57.698 10.554 5.626 1117 HA3 GLY 585 HA1 GLY 585 57.985 11.594 4.234 1118 H THR 586 HN THR 586 60.913 11.501 5.144 1119 HA THR 586 HA THR 586 61.609 8.764 4.166 1120 HB THR 586 HB THR 586 63.051 9.584 2.511 1121 HG1 THR 586 HG1 THR 586 63.288 11.623 4.277 1122 HG21 THR 586 HG21 THR 586 60.881 11.702 2.616 1123 HG22 THR 586 HG22 THR 586 60.617 10.054 2.046 1124 HG23 THR 586 HG23 THR 586 61.727 11.118 1.180 1125 H PHE 587 HN PHE 587 61.611 10.187 6.808 1126 HA PHE 587 HA PHE 587 64.510 10.426 7.371 1127 HB2 PHE 587 HB2 PHE 587 63.949 11.332 9.449 1128 HB3 PHE 587 HB1 PHE 587 62.669 11.916 8.408 1129 HD1 PHE 587 HD1 PHE 587 63.100 10.922 11.589 1130 HD2 PHE 587 HD2 PHE 587 60.774 9.725 8.181 1131 HE1 PHE 587 HE1 PHE 587 61.415 9.895 13.089 1132 HE2 PHE 587 HE2 PHE 587 59.097 8.704 9.679 1133 HZ PHE 587 HZ PHE 587 59.414 8.787 12.134 1134 H LYS 588 HN LYS 588 65.569 8.598 7.549 1135 HA LYS 588 HA LYS 588 64.313 6.217 8.817 1136 HB2 LYS 588 HB2 LYS 588 65.935 6.583 6.533 1137 HB3 LYS 588 HB1 LYS 588 67.010 5.900 7.707 1138 HG2 LYS 588 HG2 LYS 588 65.870 4.217 6.226 1139 HG3 LYS 588 HG1 LYS 588 65.710 3.925 7.944 1140 HD2 LYS 588 HD2 LYS 588 63.635 3.646 6.365 1141 HD3 LYS 588 HD1 LYS 588 63.423 4.373 7.937 1142 HE2 LYS 588 HE2 LYS 588 63.037 6.492 7.035 1143 HE3 LYS 588 HE1 LYS 588 64.010 6.170 5.618 1144 HZ1 LYS 588 HZ1 LYS 588 61.825 6.132 4.869 1145 HZ2 LYS 588 HZ2 LYS 588 61.283 5.232 6.204 1146 HZ3 LYS 588 HZ3 LYS 588 62.246 4.495 5.013 1147 H GLU 589 HN GLU 589 65.721 5.028 10.395 1148 HA GLU 589 HA GLU 589 67.788 6.677 11.708 1149 HB2 GLU 589 HB2 GLU 589 66.009 7.668 12.845 1150 HB3 GLU 589 HB1 GLU 589 65.062 6.187 12.885 1151 HG2 GLU 589 HG2 GLU 589 66.442 5.256 14.609 1152 HG3 GLU 589 HG1 GLU 589 67.667 6.512 14.407 1153 H GLN 590 HN GLN 590 68.903 5.596 13.328 1154 HA GLN 590 HA GLN 590 68.419 2.795 13.917 1155 HB2 GLN 590 HB2 GLN 590 69.936 3.293 11.637 1156 HB3 GLN 590 HB1 GLN 590 71.182 3.194 12.865 1157 HG2 GLN 590 HG2 GLN 590 70.615 0.946 13.410 1158 HG3 GLN 590 HG1 GLN 590 69.067 1.068 12.637 1159 HE21 GLN 590 HE21 GLN 590 70.030 -1.009 11.548 1160 HE22 GLN 590 HE22 GLN 590 70.911 -0.755 10.120 1161 H ASN 591 HN ASN 591 69.449 2.329 15.900 1162 HA ASN 591 HA ASN 591 70.403 2.915 17.956 1163 HB2 ASN 591 HB2 ASN 591 72.643 4.497 17.068 1164 HB3 ASN 591 HB1 ASN 591 72.648 2.817 17.566 1165 HD21 ASN 591 HD21 ASN 591 71.171 1.654 15.516 1166 HD22 ASN 591 HD22 ASN 591 71.930 1.864 14.011 1167 H ASP 592 HN ASP 592 68.458 4.820 16.670 1168 HA ASP 592 HA ASP 592 67.428 6.781 17.473 1169 HB2 ASP 592 HB2 ASP 592 69.890 7.530 19.028 1170 HB3 ASP 592 HB1 ASP 592 68.198 7.867 19.391 1171 H LYS 593 HN LYS 593 70.319 6.617 15.770 1172 HA LYS 593 HA LYS 593 70.701 9.490 15.412 1173 HB2 LYS 593 HB2 LYS 593 71.903 7.045 14.138 1174 HB3 LYS 593 HB1 LYS 593 72.427 8.689 13.808 1175 HG2 LYS 593 HG2 LYS 593 72.458 8.545 16.613 1176 HG3 LYS 593 HG1 LYS 593 73.041 6.960 16.115 1177 HD2 LYS 593 HD2 LYS 593 74.617 8.223 14.520 1178 HD3 LYS 593 HD1 LYS 593 74.195 9.665 15.439 1179 HE2 LYS 593 HE2 LYS 593 74.822 8.195 17.528 1180 HE3 LYS 593 HE1 LYS 593 75.692 7.214 16.344 1181 HZ1 LYS 593 HZ1 LYS 593 76.323 9.820 15.744 1182 HZ2 LYS 593 HZ2 LYS 593 77.325 8.680 16.508 1183 HZ3 LYS 593 HZ3 LYS 593 76.383 9.746 17.437 1184 HA PRO 594 HA PRO 594 67.481 9.382 12.113 1185 HB2 PRO 594 HB2 PRO 594 68.703 12.005 11.429 1186 HB3 PRO 594 HB1 PRO 594 67.016 11.608 11.748 1187 HG2 PRO 594 HG2 PRO 594 68.587 12.986 13.503 1188 HG3 PRO 594 HG1 PRO 594 67.246 11.953 14.022 1189 HD2 PRO 594 HD2 PRO 594 70.177 11.470 14.254 1190 HD3 PRO 594 HD1 PRO 594 68.839 10.782 15.202 1191 H TYR 595 HN TYR 595 67.579 9.343 9.729 1192 HA TYR 595 HA TYR 595 70.132 9.624 8.334 1193 HB2 TYR 595 HB2 TYR 595 69.000 6.844 8.772 1194 HB3 TYR 595 HB1 TYR 595 70.294 7.227 7.651 1195 HD1 TYR 595 HD1 TYR 595 72.241 8.756 8.920 1196 HD2 TYR 595 HD2 TYR 595 69.699 5.805 10.726 1197 HE1 TYR 595 HE1 TYR 595 73.918 8.376 10.709 1198 HE2 TYR 595 HE2 TYR 595 71.377 5.454 12.504 1199 HH TYR 595 HH TYR 595 73.462 5.887 13.175 1200 H CYS 596 HN CYS 596 69.653 9.905 6.110 1201 HA CYS 596 HA CYS 596 66.885 9.721 5.213 1202 HB2 CYS 596 HB2 CYS 596 69.256 9.582 3.331 1203 HB3 CYS 596 HB1 CYS 596 67.670 10.284 3.045 1204 H GLN 597 HN GLN 597 66.089 7.992 3.726 1205 HA GLN 597 HA GLN 597 66.981 5.414 4.571 1206 HB2 GLN 597 HB2 GLN 597 64.807 5.350 3.703 1207 HB3 GLN 597 HB1 GLN 597 65.189 6.450 2.410 1208 HG2 GLN 597 HG2 GLN 597 64.963 4.458 1.228 1209 HG3 GLN 597 HG1 GLN 597 66.681 4.435 1.560 1210 HE21 GLN 597 HE21 GLN 597 66.315 3.839 4.435 1211 HE22 GLN 597 HE22 GLN 597 65.830 2.235 4.523 1212 H ASN 598 HN ASN 598 67.417 7.116 1.476 1213 HA ASN 598 HA ASN 598 69.239 5.439 0.228 1214 HB2 ASN 598 HB2 ASN 598 69.791 8.391 0.169 1215 HB3 ASN 598 HB1 ASN 598 69.731 7.240 -1.160 1216 HD21 ASN 598 HD21 ASN 598 67.338 6.126 -1.132 1217 HD22 ASN 598 HD22 ASN 598 66.084 7.263 -1.160 1218 H CYS 599 HN CYS 599 69.767 7.534 2.982 1219 HA CYS 599 HA CYS 599 72.676 7.225 2.901 1220 HB2 CYS 599 HB2 CYS 599 70.714 8.491 4.810 1221 HB3 CYS 599 HB1 CYS 599 72.385 8.228 5.299 1222 H PHE 600 HN PHE 600 70.164 6.281 5.269 1223 HA PHE 600 HA PHE 600 71.752 4.482 6.750 1224 HB2 PHE 600 HB2 PHE 600 69.795 4.873 7.882 1225 HB3 PHE 600 HB1 PHE 600 68.863 5.056 6.406 1226 HD1 PHE 600 HD1 PHE 600 67.980 3.060 5.226 1227 HD2 PHE 600 HD2 PHE 600 69.964 2.744 9.017 1228 HE1 PHE 600 HE1 PHE 600 67.047 0.782 5.519 1229 HE2 PHE 600 HE2 PHE 600 69.029 0.464 9.311 1230 HZ PHE 600 HZ PHE 600 67.573 -0.517 7.564 1231 H LEU 601 HN LEU 601 69.484 3.715 4.079 1232 HA LEU 601 HA LEU 601 69.923 0.960 4.024 1233 HB2 LEU 601 HB2 LEU 601 68.557 1.082 2.210 1234 HB3 LEU 601 HB1 LEU 601 68.568 2.819 2.454 1235 HG LEU 601 HG LEU 601 70.582 2.935 0.923 1236 HD11 LEU 601 HD11 LEU 601 71.630 0.997 0.395 1237 HD12 LEU 601 HD12 LEU 601 70.234 0.546 -0.575 1238 HD13 LEU 601 HD13 LEU 601 70.342 0.031 1.107 1239 HD21 LEU 601 HD21 LEU 601 68.114 1.682 -0.311 1240 HD22 LEU 601 HD22 LEU 601 69.244 2.784 -1.095 1241 HD23 LEU 601 HD23 LEU 601 68.212 3.362 0.209 1242 H LYS 602 HN LYS 602 71.871 3.505 2.489 1243 HA LYS 602 HA LYS 602 73.690 1.834 1.141 1244 HB2 LYS 602 HB2 LYS 602 73.471 4.568 1.598 1245 HB3 LYS 602 HB1 LYS 602 74.955 4.194 2.437 1246 HG2 LYS 602 HG2 LYS 602 74.574 3.159 -0.362 1247 HG3 LYS 602 HG1 LYS 602 74.967 4.851 -0.139 1248 HD2 LYS 602 HD2 LYS 602 77.044 4.386 0.780 1249 HD3 LYS 602 HD1 LYS 602 76.570 2.766 1.302 1250 HE2 LYS 602 HE2 LYS 602 76.819 1.886 -0.867 1251 HE3 LYS 602 HE1 LYS 602 76.704 3.478 -1.613 1252 HZ1 LYS 602 HZ1 LYS 602 78.978 2.228 -0.252 1253 HZ2 LYS 602 HZ2 LYS 602 78.830 3.920 -0.212 1254 HZ3 LYS 602 HZ3 LYS 602 78.943 3.109 -1.701 1255 H LEU 603 HN LEU 603 73.292 2.339 4.541 1256 HA LEU 603 HA LEU 603 75.979 1.258 5.162 1257 HB2 LEU 603 HB2 LEU 603 73.958 1.857 7.286 1258 HB3 LEU 603 HB1 LEU 603 75.705 2.099 7.301 1259 HG LEU 603 HG LEU 603 73.689 3.720 5.729 1260 HD11 LEU 603 HD11 LEU 603 75.519 4.727 7.880 1261 HD12 LEU 603 HD12 LEU 603 73.945 4.036 8.278 1262 HD13 LEU 603 HD13 LEU 603 74.048 5.461 7.248 1263 HD21 LEU 603 HD21 LEU 603 75.582 5.131 5.081 1264 HD22 LEU 603 HD22 LEU 603 75.876 3.492 4.532 1265 HD23 LEU 603 HD23 LEU 603 76.691 4.094 5.971 1266 H PHE 604 HN PHE 604 72.610 0.416 6.107 1267 HA PHE 604 HA PHE 604 73.571 -2.319 6.776 1268 HB2 PHE 604 HB2 PHE 604 71.096 -0.715 7.379 1269 HB3 PHE 604 HB1 PHE 604 71.012 -2.474 7.466 1270 HD1 PHE 604 HD1 PHE 604 72.776 0.526 8.801 1271 HD2 PHE 604 HD2 PHE 604 72.028 -3.682 9.255 1272 HE1 PHE 604 HE1 PHE 604 73.849 0.574 11.034 1273 HE2 PHE 604 HE2 PHE 604 73.104 -3.631 11.488 1274 HZ PHE 604 HZ PHE 604 74.014 -1.504 12.378 1275 H CYS 605 HN CYS 605 72.692 -0.884 3.988 1276 HA CYS 605 HA CYS 605 71.910 -3.438 2.792 1277 HB2 CYS 605 HB2 CYS 605 69.948 -1.169 3.084 1278 HB3 CYS 605 HB1 CYS 605 69.837 -2.269 1.711 1279 HG CYS 605 HG CYS 605 69.469 -3.118 4.692 Start of MODEL 8 1 H MET 1 HT1 MET 1 88.093 -21.468 8.232 2 HA MET 1 HA MET 1 86.829 -24.031 8.293 3 HB2 MET 1 HB2 MET 1 88.752 -23.138 6.841 4 HB3 MET 1 HB1 MET 1 89.776 -23.351 8.260 5 HG2 MET 1 HG2 MET 1 88.981 -25.747 8.365 6 HG3 MET 1 HG1 MET 1 88.182 -25.486 6.816 7 HE1 MET 1 HE1 MET 1 89.199 -26.649 4.995 8 HE2 MET 1 HE2 MET 1 89.689 -27.706 6.315 9 HE3 MET 1 HE3 MET 1 90.840 -27.306 5.043 10 H ALA 2 HN ALA 2 89.829 -24.473 9.633 11 HA ALA 2 HA ALA 2 89.113 -24.126 12.444 12 HB1 ALA 2 HB1 ALA 2 89.119 -26.862 11.157 13 HB2 ALA 2 HB2 ALA 2 87.838 -26.123 12.118 14 HB3 ALA 2 HB3 ALA 2 89.340 -26.630 12.891 15 H LEU 3 HN LEU 3 91.188 -25.914 10.185 16 HA LEU 3 HA LEU 3 93.447 -26.620 10.510 17 HB2 LEU 3 HB2 LEU 3 93.232 -23.631 10.337 18 HB3 LEU 3 HB1 LEU 3 94.780 -24.461 10.210 19 HG LEU 3 HG LEU 3 92.464 -25.339 8.483 20 HD11 LEU 3 HD11 LEU 3 94.283 -22.972 8.037 21 HD12 LEU 3 HD12 LEU 3 92.519 -23.009 8.017 22 HD13 LEU 3 HD13 LEU 3 93.431 -23.782 6.720 23 HD21 LEU 3 HD21 LEU 3 95.488 -25.393 8.231 24 HD22 LEU 3 HD22 LEU 3 94.395 -25.854 6.929 25 HD23 LEU 3 HD23 LEU 3 94.409 -26.772 8.431 26 H ASP 4 HN ASP 4 93.802 -23.565 12.137 27 HA ASP 4 HA ASP 4 94.849 -23.044 14.152 28 HB2 ASP 4 HB2 ASP 4 92.737 -23.725 15.094 29 HB3 ASP 4 HB1 ASP 4 93.147 -25.426 14.893 30 H GLY 5 HN GLY 5 95.924 -25.166 12.246 31 HA2 GLY 5 HA2 GLY 5 97.436 -27.072 13.811 32 HA3 GLY 5 HA1 GLY 5 97.735 -26.625 12.129 33 H ILE 6 HN ILE 6 97.584 -23.807 13.411 34 HA ILE 6 HA ILE 6 100.499 -23.637 14.056 35 HB ILE 6 HB ILE 6 99.792 -21.093 13.316 36 HG12 ILE 6 HG12 ILE 6 97.448 -22.163 12.789 37 HG13 ILE 6 HG11 ILE 6 98.147 -21.021 11.659 38 HG21 ILE 6 HG21 ILE 6 100.765 -23.402 11.664 39 HG22 ILE 6 HG22 ILE 6 101.694 -22.070 12.353 40 HG23 ILE 6 HG23 ILE 6 100.615 -21.778 10.990 41 HD11 ILE 6 HD11 ILE 6 97.177 -23.366 10.840 42 HD12 ILE 6 HD12 ILE 6 98.794 -23.921 11.269 43 HD13 ILE 6 HD13 ILE 6 98.590 -22.644 10.073 44 H ARG 7 HN ARG 7 98.781 -20.731 14.642 45 HA ARG 7 HA ARG 7 97.924 -21.429 17.321 46 HB2 ARG 7 HB2 ARG 7 99.525 -19.722 18.354 47 HB3 ARG 7 HB1 ARG 7 100.170 -21.284 17.911 48 HG2 ARG 7 HG2 ARG 7 100.334 -19.252 15.761 49 HG3 ARG 7 HG1 ARG 7 101.309 -18.896 17.186 50 HD2 ARG 7 HD2 ARG 7 102.278 -21.215 17.008 51 HD3 ARG 7 HD1 ARG 7 101.428 -21.377 15.478 52 HE ARG 7 HE ARG 7 103.870 -19.902 15.894 53 HH11 ARG 7 HH11 ARG 7 104.667 -18.738 14.133 54 HH12 ARG 7 HH12 ARG 7 103.617 -18.373 12.805 55 HH21 ARG 7 HH21 ARG 7 100.866 -19.953 14.200 56 HH22 ARG 7 HH22 ARG 7 101.465 -19.058 12.845 57 H MET 8 HN MET 8 99.202 -18.205 16.646 58 HA MET 8 HA MET 8 96.402 -17.298 16.097 59 HB2 MET 8 HB2 MET 8 97.811 -15.336 17.745 60 HB3 MET 8 HB1 MET 8 96.239 -16.073 17.982 61 HG2 MET 8 HG2 MET 8 97.428 -18.146 18.819 62 HG3 MET 8 HG1 MET 8 98.916 -17.212 18.825 63 HE1 MET 8 HE1 MET 8 98.986 -14.755 19.922 64 HE2 MET 8 HE2 MET 8 99.740 -16.092 20.787 65 HE3 MET 8 HE3 MET 8 98.796 -14.899 21.675 66 HA PRO 9 HA PRO 9 99.357 -13.772 14.402 67 HB2 PRO 9 HB2 PRO 9 101.702 -15.617 13.972 68 HB3 PRO 9 HB1 PRO 9 101.694 -13.858 14.239 69 HG2 PRO 9 HG2 PRO 9 102.330 -15.430 16.223 70 HG3 PRO 9 HG1 PRO 9 101.192 -14.096 16.498 71 HD2 PRO 9 HD2 PRO 9 100.592 -17.011 16.181 72 HD3 PRO 9 HD1 PRO 9 99.904 -15.851 17.314 73 H ASP 10 HN ASP 10 99.087 -17.102 13.737 74 HA ASP 10 HA ASP 10 98.340 -16.559 10.912 75 HB2 ASP 10 HB2 ASP 10 100.787 -17.415 11.302 76 HB3 ASP 10 HB1 ASP 10 100.015 -18.966 11.597 77 H GLY 11 HN GLY 11 97.927 -18.320 13.862 78 HA2 GLY 11 HA2 GLY 11 96.118 -20.293 12.589 79 HA3 GLY 11 HA1 GLY 11 96.646 -20.299 14.265 80 H CYS 12 HN CYS 12 95.856 -17.217 14.145 81 HA CYS 12 HA CYS 12 92.985 -17.244 13.856 82 HB2 CYS 12 HB2 CYS 12 92.865 -18.650 15.744 83 HB3 CYS 12 HB1 CYS 12 94.175 -17.801 16.560 84 HG CYS 12 HG CYS 12 91.615 -16.133 16.080 85 H TYR 13 HN TYR 13 95.789 -15.766 15.427 86 HA TYR 13 HA TYR 13 96.426 -13.496 15.388 87 HB2 TYR 13 HB2 TYR 13 94.542 -13.344 13.476 88 HB3 TYR 13 HB1 TYR 13 93.636 -12.539 14.757 89 HD1 TYR 13 HD1 TYR 13 94.448 -10.421 15.732 90 HD2 TYR 13 HD2 TYR 13 96.532 -12.350 12.510 91 HE1 TYR 13 HE1 TYR 13 95.730 -8.340 15.314 92 HE2 TYR 13 HE2 TYR 13 97.813 -10.270 12.091 93 HH TYR 13 HH TYR 13 98.502 -8.234 13.448 94 H ALA 14 HN ALA 14 93.223 -14.368 16.576 95 HA ALA 14 HA ALA 14 93.597 -14.228 19.276 96 HB1 ALA 14 HB1 ALA 14 94.346 -12.037 19.507 97 HB2 ALA 14 HB2 ALA 14 92.610 -11.743 19.602 98 HB3 ALA 14 HB3 ALA 14 93.468 -11.488 18.081 99 H ASP 15 HN ASP 15 91.504 -12.746 16.840 100 HA ASP 15 HA ASP 15 89.299 -14.501 17.684 101 HB2 ASP 15 HB2 ASP 15 89.254 -12.382 19.109 102 HB3 ASP 15 HB1 ASP 15 88.892 -11.509 17.621 103 H GLY 16 HN GLY 16 91.101 -13.252 15.322 104 HA2 GLY 16 HA2 GLY 16 90.786 -13.419 12.975 105 HA3 GLY 16 HA1 GLY 16 89.068 -13.716 13.256 106 H THR 17 HN THR 17 90.307 -11.114 15.032 107 HA THR 17 HA THR 17 88.763 -9.212 13.383 108 HB THR 17 HB THR 17 89.288 -7.662 15.292 109 HG1 THR 17 HG1 THR 17 90.246 -9.962 16.601 110 HG21 THR 17 HG21 THR 17 87.994 -10.333 15.811 111 HG22 THR 17 HG22 THR 17 87.212 -8.808 15.386 112 HG23 THR 17 HG23 THR 17 87.942 -9.011 16.978 113 H TRP 18 HN TRP 18 89.749 -8.016 11.914 114 HA TRP 18 HA TRP 18 92.603 -7.211 12.291 115 HB2 TRP 18 HB2 TRP 18 92.344 -7.283 9.556 116 HB3 TRP 18 HB1 TRP 18 93.043 -8.585 10.507 117 HD1 TRP 18 HD1 TRP 18 89.581 -7.514 9.157 118 HE1 TRP 18 HE1 TRP 18 88.238 -9.653 8.639 119 HE3 TRP 18 HE3 TRP 18 92.884 -11.051 10.787 120 HZ2 TRP 18 HZ2 TRP 18 88.525 -12.487 8.882 121 HZ3 TRP 18 HZ3 TRP 18 92.325 -13.460 10.634 122 HH2 TRP 18 HH2 TRP 18 90.151 -14.183 9.684 123 H GLU 19 HN GLU 19 92.694 -5.041 12.376 124 HA GLU 19 HA GLU 19 90.375 -3.451 11.623 125 HB2 GLU 19 HB2 GLU 19 92.449 -1.618 12.079 126 HB3 GLU 19 HB1 GLU 19 91.286 -2.170 13.278 127 HG2 GLU 19 HG2 GLU 19 93.625 -2.438 14.039 128 HG3 GLU 19 HG1 GLU 19 92.767 -3.975 13.938 129 H LEU 20 HN LEU 20 90.014 -2.491 9.696 130 HA LEU 20 HA LEU 20 92.032 -2.860 7.598 131 HB2 LEU 20 HB2 LEU 20 89.187 -2.625 7.668 132 HB3 LEU 20 HB1 LEU 20 89.752 -1.229 6.760 133 HG LEU 20 HG LEU 20 89.396 -2.978 5.176 134 HD11 LEU 20 HD11 LEU 20 91.361 -2.825 4.044 135 HD12 LEU 20 HD12 LEU 20 92.326 -3.406 5.396 136 HD13 LEU 20 HD13 LEU 20 91.803 -1.721 5.347 137 HD21 LEU 20 HD21 LEU 20 89.264 -5.019 6.241 138 HD22 LEU 20 HD22 LEU 20 90.631 -4.689 7.301 139 HD23 LEU 20 HD23 LEU 20 90.908 -5.168 5.632 140 H SER 21 HN SER 21 93.384 -1.274 6.900 141 HA SER 21 HA SER 21 93.508 1.182 8.458 142 HB2 SER 21 HB2 SER 21 95.435 -0.258 7.340 143 HB3 SER 21 HB1 SER 21 95.114 0.792 5.961 144 HG SER 21 HG SER 21 96.548 1.335 8.085 145 H VAL 22 HN VAL 22 93.139 3.267 7.743 146 HA VAL 22 HA VAL 22 92.008 3.600 5.013 147 HB VAL 22 HB VAL 22 90.682 4.455 7.586 148 HG11 VAL 22 HG11 VAL 22 90.612 6.455 6.281 149 HG12 VAL 22 HG12 VAL 22 89.072 5.661 5.964 150 HG13 VAL 22 HG13 VAL 22 90.376 5.558 4.781 151 HG21 VAL 22 HG21 VAL 22 90.070 2.261 6.669 152 HG22 VAL 22 HG22 VAL 22 89.758 3.001 5.091 153 HG23 VAL 22 HG23 VAL 22 88.730 3.397 6.469 154 H HIS 23 HN HIS 23 93.578 4.817 4.148 155 HA HIS 23 HA HIS 23 94.940 6.918 5.661 156 HB2 HIS 23 HB2 HIS 23 95.027 5.796 2.881 157 HB3 HIS 23 HB1 HIS 23 95.695 7.412 3.132 158 HD1 HIS 23 HD1 HIS 23 96.008 3.939 4.707 159 HD2 HIS 23 HD2 HIS 23 98.304 7.355 4.040 160 HE1 HIS 23 HE1 HIS 23 98.339 3.411 5.546 161 H VAL 24 HN VAL 24 93.587 8.597 6.212 162 HA VAL 24 HA VAL 24 91.392 9.405 4.546 163 HB VAL 24 HB VAL 24 92.648 11.192 6.621 164 HG11 VAL 24 HG11 VAL 24 90.599 11.806 5.203 165 HG12 VAL 24 HG12 VAL 24 90.410 11.934 6.950 166 HG13 VAL 24 HG13 VAL 24 89.740 10.550 6.092 167 HG21 VAL 24 HG21 VAL 24 91.062 8.644 7.043 168 HG22 VAL 24 HG22 VAL 24 91.219 9.893 8.280 169 HG23 VAL 24 HG23 VAL 24 92.650 9.042 7.700 170 H THR 25 HN THR 25 91.750 10.242 2.583 171 HA THR 25 HA THR 25 94.124 11.806 1.978 172 HB THR 25 HB THR 25 93.391 11.728 -0.250 173 HG1 THR 25 HG1 THR 25 91.469 12.662 -0.285 174 HG21 THR 25 HG21 THR 25 91.811 9.398 0.836 175 HG22 THR 25 HG22 THR 25 93.573 9.419 0.896 176 HG23 THR 25 HG23 THR 25 92.742 9.483 -0.659 177 H ASP 26 HN ASP 26 93.892 14.075 1.097 178 HA ASP 26 HA ASP 26 93.084 16.278 1.268 179 HB2 ASP 26 HB2 ASP 26 90.776 14.931 0.957 180 HB3 ASP 26 HB1 ASP 26 90.550 15.398 2.640 181 H LEU 27 HN LEU 27 92.370 14.109 3.988 182 HA LEU 27 HA LEU 27 93.061 16.230 5.941 183 HB2 LEU 27 HB2 LEU 27 91.623 13.655 5.982 184 HB3 LEU 27 HB1 LEU 27 92.626 13.902 7.398 185 HG LEU 27 HG LEU 27 90.733 16.053 6.431 186 HD11 LEU 27 HD11 LEU 27 90.119 13.767 8.326 187 HD12 LEU 27 HD12 LEU 27 89.384 14.025 6.742 188 HD13 LEU 27 HD13 LEU 27 89.082 15.163 8.053 189 HD21 LEU 27 HD21 LEU 27 92.573 16.437 8.193 190 HD22 LEU 27 HD22 LEU 27 91.629 15.382 9.242 191 HD23 LEU 27 HD23 LEU 27 90.932 16.890 8.653 192 H ASN 28 HN ASN 28 94.153 13.159 4.634 193 HA ASN 28 HA ASN 28 96.325 12.296 4.471 194 HB2 ASN 28 HB2 ASN 28 96.993 14.803 4.606 195 HB3 ASN 28 HB1 ASN 28 97.391 14.459 6.283 196 HD21 ASN 28 HD21 ASN 28 98.019 11.593 5.373 197 HD22 ASN 28 HD22 ASN 28 99.588 11.705 4.744 198 H ARG 29 HN ARG 29 94.356 12.009 6.881 199 HA ARG 29 HA ARG 29 96.278 11.178 8.963 200 HB2 ARG 29 HB2 ARG 29 93.258 11.114 8.877 201 HB3 ARG 29 HB1 ARG 29 94.242 10.653 10.266 202 HG2 ARG 29 HG2 ARG 29 95.186 12.903 10.378 203 HG3 ARG 29 HG1 ARG 29 94.269 13.376 8.954 204 HD2 ARG 29 HD2 ARG 29 92.926 14.145 10.729 205 HD3 ARG 29 HD1 ARG 29 92.189 12.599 10.295 206 HE ARG 29 HE ARG 29 94.097 12.021 12.276 207 HH11 ARG 29 HH11 ARG 29 93.489 11.866 14.447 208 HH12 ARG 29 HH12 ARG 29 92.047 12.660 14.987 209 HH21 ARG 29 HH21 ARG 29 91.268 13.944 11.860 210 HH22 ARG 29 HH22 ARG 29 90.789 13.837 13.521 211 H ASP 30 HN ASP 30 95.411 9.036 10.025 212 HA ASP 30 HA ASP 30 94.780 7.000 7.959 213 HB2 ASP 30 HB2 ASP 30 97.069 6.840 9.939 214 HB3 ASP 30 HB1 ASP 30 96.475 5.489 8.971 215 H VAL 31 HN VAL 31 92.960 6.134 8.675 216 HA VAL 31 HA VAL 31 92.587 5.778 11.631 217 HB VAL 31 HB VAL 31 90.439 5.753 9.500 218 HG11 VAL 31 HG11 VAL 31 89.001 6.171 11.482 219 HG12 VAL 31 HG12 VAL 31 90.429 6.082 12.513 220 HG13 VAL 31 HG13 VAL 31 89.897 4.656 11.623 221 HG21 VAL 31 HG21 VAL 31 91.638 7.961 9.555 222 HG22 VAL 31 HG22 VAL 31 91.316 8.063 11.284 223 HG23 VAL 31 HG23 VAL 31 89.979 8.088 10.137 224 H THR 32 HN THR 32 91.730 3.816 12.352 225 HA THR 32 HA THR 32 91.738 1.545 10.417 226 HB THR 32 HB THR 32 92.723 0.583 12.931 227 HG1 THR 32 HG1 THR 32 93.791 3.040 12.108 228 HG21 THR 32 HG21 THR 32 94.490 1.149 10.557 229 HG22 THR 32 HG22 THR 32 93.272 -0.127 10.494 230 HG23 THR 32 HG23 THR 32 94.564 -0.202 11.689 231 H LEU 33 HN LEU 33 89.963 0.299 10.677 232 HA LEU 33 HA LEU 33 88.260 0.706 13.106 233 HB2 LEU 33 HB2 LEU 33 87.689 0.283 10.189 234 HB3 LEU 33 HB1 LEU 33 86.501 -0.232 11.367 235 HG LEU 33 HG LEU 33 86.231 2.130 10.399 236 HD11 LEU 33 HD11 LEU 33 85.227 1.221 12.582 237 HD12 LEU 33 HD12 LEU 33 85.307 2.969 12.392 238 HD13 LEU 33 HD13 LEU 33 86.483 2.140 13.402 239 HD21 LEU 33 HD21 LEU 33 88.739 2.616 10.696 240 HD22 LEU 33 HD22 LEU 33 88.363 2.869 12.401 241 HD23 LEU 33 HD23 LEU 33 87.615 3.879 11.181 242 H ARG 34 HN ARG 34 88.495 -1.014 14.420 243 HA ARG 34 HA ARG 34 89.475 -3.574 13.704 244 HB2 ARG 34 HB2 ARG 34 89.325 -2.641 16.051 245 HB3 ARG 34 HB1 ARG 34 87.592 -2.947 15.988 246 HG2 ARG 34 HG2 ARG 34 88.602 -4.851 17.066 247 HG3 ARG 34 HG1 ARG 34 88.109 -5.356 15.452 248 HD2 ARG 34 HD2 ARG 34 90.277 -5.532 14.688 249 HD3 ARG 34 HD1 ARG 34 90.898 -4.305 15.791 250 HE ARG 34 HE ARG 34 90.792 -7.134 16.325 251 HH11 ARG 34 HH11 ARG 34 91.327 -7.809 18.414 252 HH12 ARG 34 HH12 ARG 34 91.323 -6.660 19.710 253 HH21 ARG 34 HH21 ARG 34 90.373 -3.999 17.701 254 HH22 ARG 34 HH22 ARG 34 90.782 -4.504 19.306 255 H VAL 35 HN VAL 35 88.471 -4.666 12.104 256 HA VAL 35 HA VAL 35 85.552 -5.250 12.423 257 HB VAL 35 HB VAL 35 85.393 -5.138 9.933 258 HG11 VAL 35 HG11 VAL 35 86.217 -2.649 11.447 259 HG12 VAL 35 HG12 VAL 35 84.577 -3.257 11.205 260 HG13 VAL 35 HG13 VAL 35 85.487 -2.610 9.840 261 HG21 VAL 35 HG21 VAL 35 88.188 -4.021 10.235 262 HG22 VAL 35 HG22 VAL 35 87.203 -3.778 8.796 263 HG23 VAL 35 HG23 VAL 35 87.681 -5.407 9.272 264 H THR 36 HN THR 36 85.171 -6.931 10.392 265 HA THR 36 HA THR 36 87.310 -8.991 10.441 266 HB THR 36 HB THR 36 85.431 -10.701 10.832 267 HG1 THR 36 HG1 THR 36 83.981 -9.082 12.355 268 HG21 THR 36 HG21 THR 36 85.411 -10.170 13.359 269 HG22 THR 36 HG22 THR 36 86.464 -8.823 12.940 270 HG23 THR 36 HG23 THR 36 86.963 -10.474 12.588 271 H GLY 37 HN GLY 37 86.500 -10.821 8.852 272 HA2 GLY 37 HA2 GLY 37 85.820 -9.484 6.357 273 HA3 GLY 37 HA1 GLY 37 86.177 -11.200 6.550 274 H GLU 38 HN GLU 38 83.758 -9.117 8.082 275 HA GLU 38 HA GLU 38 81.587 -10.588 6.720 276 HB2 GLU 38 HB2 GLU 38 80.541 -11.336 8.700 277 HB3 GLU 38 HB1 GLU 38 82.234 -11.758 8.908 278 HG2 GLU 38 HG2 GLU 38 81.903 -10.727 10.956 279 HG3 GLU 38 HG1 GLU 38 82.300 -9.295 10.008 280 H VAL 39 HN VAL 39 82.927 -7.728 7.845 281 HA VAL 39 HA VAL 39 80.383 -6.415 8.447 282 HB VAL 39 HB VAL 39 81.606 -4.582 9.165 283 HG11 VAL 39 HG11 VAL 39 83.243 -5.463 10.598 284 HG12 VAL 39 HG12 VAL 39 83.716 -6.704 9.433 285 HG13 VAL 39 HG13 VAL 39 82.175 -6.827 10.280 286 HG21 VAL 39 HG21 VAL 39 83.798 -5.471 7.257 287 HG22 VAL 39 HG22 VAL 39 83.996 -4.171 8.429 288 HG23 VAL 39 HG23 VAL 39 82.818 -4.007 7.138 289 H HIS 40 HN HIS 40 79.152 -5.381 6.969 290 HA HIS 40 HA HIS 40 79.832 -5.479 4.181 291 HB2 HIS 40 HB2 HIS 40 77.884 -3.415 5.172 292 HB3 HIS 40 HB1 HIS 40 77.757 -4.510 3.794 293 HD1 HIS 40 HD1 HIS 40 77.483 -7.157 4.525 294 HD2 HIS 40 HD2 HIS 40 76.475 -4.289 7.378 295 HE1 HIS 40 HE1 HIS 40 76.044 -8.333 6.246 296 H ILE 41 HN ILE 41 80.540 -3.731 2.812 297 HA ILE 41 HA ILE 41 82.616 -2.102 3.765 298 HB ILE 41 HB ILE 41 80.721 -1.322 1.534 299 HG12 ILE 41 HG12 ILE 41 83.071 -3.241 1.511 300 HG13 ILE 41 HG11 ILE 41 81.378 -3.645 1.238 301 HG21 ILE 41 HG21 ILE 41 82.511 0.304 2.314 302 HG22 ILE 41 HG22 ILE 41 82.602 -0.164 0.612 303 HG23 ILE 41 HG23 ILE 41 83.703 -0.885 1.787 304 HD11 ILE 41 HD11 ILE 41 83.336 -2.586 -0.634 305 HD12 ILE 41 HD12 ILE 41 81.879 -1.589 -0.597 306 HD13 ILE 41 HD13 ILE 41 81.766 -3.310 -0.949 307 H GLY 42 HN GLY 42 79.259 -1.107 3.121 308 HA2 GLY 42 HA2 GLY 42 79.466 1.481 4.202 309 HA3 GLY 42 HA1 GLY 42 77.965 0.568 4.136 310 H GLY 43 HN GLY 43 79.746 -1.511 5.669 311 HA2 GLY 43 HA2 GLY 43 78.692 -0.922 8.289 312 HA3 GLY 43 HA1 GLY 43 79.908 -2.154 7.922 313 H VAL 44 HN VAL 44 81.578 -0.164 6.547 314 HA VAL 44 HA VAL 44 83.037 0.833 8.899 315 HB VAL 44 HB VAL 44 83.562 0.487 5.959 316 HG11 VAL 44 HG11 VAL 44 84.994 2.482 7.734 317 HG12 VAL 44 HG12 VAL 44 84.253 2.787 6.162 318 HG13 VAL 44 HG13 VAL 44 85.720 1.815 6.273 319 HG21 VAL 44 HG21 VAL 44 85.474 -0.688 6.717 320 HG22 VAL 44 HG22 VAL 44 84.202 -1.117 7.861 321 HG23 VAL 44 HG23 VAL 44 85.423 0.082 8.306 322 H MET 45 HN MET 45 81.379 2.192 6.022 323 HA MET 45 HA MET 45 81.835 4.928 6.397 324 HB2 MET 45 HB2 MET 45 79.318 3.450 5.576 325 HB3 MET 45 HB1 MET 45 79.392 5.207 5.589 326 HG2 MET 45 HG2 MET 45 81.601 4.760 4.131 327 HG3 MET 45 HG1 MET 45 80.754 3.275 3.746 328 HE1 MET 45 HE1 MET 45 78.284 3.277 3.534 329 HE2 MET 45 HE2 MET 45 78.288 3.511 1.793 330 HE3 MET 45 HE3 MET 45 77.273 4.540 2.820 331 H LEU 46 HN LEU 46 79.662 2.779 8.134 332 HA LEU 46 HA LEU 46 78.353 4.787 9.730 333 HB2 LEU 46 HB2 LEU 46 77.668 2.333 9.349 334 HB3 LEU 46 HB1 LEU 46 78.872 1.931 10.570 335 HG LEU 46 HG LEU 46 77.564 3.904 11.911 336 HD11 LEU 46 HD11 LEU 46 75.199 3.837 11.515 337 HD12 LEU 46 HD12 LEU 46 75.367 2.543 10.324 338 HD13 LEU 46 HD13 LEU 46 75.970 4.163 9.965 339 HD21 LEU 46 HD21 LEU 46 76.149 2.030 12.919 340 HD22 LEU 46 HD22 LEU 46 77.892 1.765 12.909 341 HD23 LEU 46 HD23 LEU 46 76.872 0.964 11.713 342 H LYS 47 HN LYS 47 80.743 2.368 10.840 343 HA LYS 47 HA LYS 47 81.292 3.564 13.312 344 HB2 LYS 47 HB2 LYS 47 83.310 2.100 11.602 345 HB3 LYS 47 HB1 LYS 47 83.305 2.239 13.364 346 HG2 LYS 47 HG2 LYS 47 81.086 1.071 13.384 347 HG3 LYS 47 HG1 LYS 47 81.259 0.818 11.649 348 HD2 LYS 47 HD2 LYS 47 83.513 -0.288 12.194 349 HD3 LYS 47 HD1 LYS 47 82.974 -0.304 13.871 350 HE2 LYS 47 HE2 LYS 47 80.798 -1.415 12.828 351 HE3 LYS 47 HE1 LYS 47 81.907 -1.836 11.521 352 HZ1 LYS 47 HZ1 LYS 47 83.117 -2.335 14.025 353 HZ2 LYS 47 HZ2 LYS 47 82.781 -3.423 12.764 354 HZ3 LYS 47 HZ3 LYS 47 81.612 -3.114 13.957 355 H LEU 48 HN LEU 48 83.220 4.028 10.302 356 HA LEU 48 HA LEU 48 85.098 5.818 11.281 357 HB2 LEU 48 HB2 LEU 48 84.005 5.170 8.671 358 HB3 LEU 48 HB1 LEU 48 84.277 6.907 8.749 359 HG LEU 48 HG LEU 48 86.384 4.907 9.592 360 HD11 LEU 48 HD11 LEU 48 86.227 6.263 6.908 361 HD12 LEU 48 HD12 LEU 48 85.710 4.601 7.182 362 HD13 LEU 48 HD13 LEU 48 87.398 5.056 7.447 363 HD21 LEU 48 HD21 LEU 48 87.870 6.861 9.047 364 HD22 LEU 48 HD22 LEU 48 86.781 7.143 10.405 365 HD23 LEU 48 HD23 LEU 48 86.413 7.829 8.822 366 H VAL 49 HN VAL 49 81.956 6.897 9.885 367 HA VAL 49 HA VAL 49 82.188 9.611 10.641 368 HB VAL 49 HB VAL 49 79.672 7.922 10.597 369 HG11 VAL 49 HG11 VAL 49 80.145 10.902 10.683 370 HG12 VAL 49 HG12 VAL 49 79.175 9.919 11.780 371 HG13 VAL 49 HG13 VAL 49 78.621 10.207 10.130 372 HG21 VAL 49 HG21 VAL 49 79.775 7.994 8.323 373 HG22 VAL 49 HG22 VAL 49 81.402 8.647 8.455 374 HG23 VAL 49 HG23 VAL 49 80.020 9.739 8.331 375 H GLU 50 HN GLU 50 80.638 6.958 12.485 376 HA GLU 50 HA GLU 50 79.813 8.311 14.750 377 HB2 GLU 50 HB2 GLU 50 81.154 5.606 14.546 378 HB3 GLU 50 HB1 GLU 50 80.465 6.208 16.044 379 HG2 GLU 50 HG2 GLU 50 78.919 5.894 13.444 380 HG3 GLU 50 HG1 GLU 50 78.895 4.740 14.775 381 H LYS 51 HN LYS 51 83.143 7.311 14.014 382 HA LYS 51 HA LYS 51 84.242 8.125 16.531 383 HB2 LYS 51 HB2 LYS 51 85.475 7.754 13.797 384 HB3 LYS 51 HB1 LYS 51 86.409 8.072 15.257 385 HG2 LYS 51 HG2 LYS 51 85.456 6.063 16.316 386 HG3 LYS 51 HG1 LYS 51 84.519 5.734 14.858 387 HD2 LYS 51 HD2 LYS 51 86.414 5.188 13.593 388 HD3 LYS 51 HD1 LYS 51 87.503 6.064 14.664 389 HE2 LYS 51 HE2 LYS 51 87.050 4.369 16.445 390 HE3 LYS 51 HE1 LYS 51 86.070 3.469 15.288 391 HZ1 LYS 51 HZ1 LYS 51 88.591 4.117 14.170 392 HZ2 LYS 51 HZ2 LYS 51 87.891 2.588 14.414 393 HZ3 LYS 51 HZ3 LYS 51 88.805 3.312 15.648 394 H LEU 52 HN LEU 52 84.477 9.788 13.332 395 HA LEU 52 HA LEU 52 85.641 12.135 14.417 396 HB2 LEU 52 HB2 LEU 52 84.998 11.163 11.881 397 HB3 LEU 52 HB1 LEU 52 83.943 12.554 12.045 398 HG LEU 52 HG LEU 52 86.073 13.813 12.844 399 HD11 LEU 52 HD11 LEU 52 88.165 12.867 11.812 400 HD12 LEU 52 HD12 LEU 52 87.275 11.378 11.503 401 HD13 LEU 52 HD13 LEU 52 87.545 11.915 13.159 402 HD21 LEU 52 HD21 LEU 52 86.135 12.917 9.954 403 HD22 LEU 52 HD22 LEU 52 86.592 14.482 10.615 404 HD23 LEU 52 HD23 LEU 52 84.896 14.015 10.561 405 H ASP 53 HN ASP 53 82.335 11.817 13.184 406 HA ASP 53 HA ASP 53 80.310 12.628 13.995 407 HB2 ASP 53 HB2 ASP 53 81.508 11.889 16.191 408 HB3 ASP 53 HB1 ASP 53 81.674 13.608 16.478 409 H VAL 54 HN VAL 54 80.551 14.205 12.336 410 HA VAL 54 HA VAL 54 80.408 16.906 13.350 411 HB VAL 54 HB VAL 54 82.762 16.825 13.409 412 HG11 VAL 54 HG11 VAL 54 82.561 15.450 10.726 413 HG12 VAL 54 HG12 VAL 54 83.136 14.761 12.248 414 HG13 VAL 54 HG13 VAL 54 84.078 16.012 11.430 415 HG21 VAL 54 HG21 VAL 54 82.230 17.926 10.638 416 HG22 VAL 54 HG22 VAL 54 83.415 18.486 11.818 417 HG23 VAL 54 HG23 VAL 54 81.696 18.765 12.094 418 H LYS 55 HN LYS 55 79.578 18.365 11.791 419 HA LYS 55 HA LYS 55 78.003 17.131 9.733 420 HB2 LYS 55 HB2 LYS 55 78.649 20.040 10.257 421 HB3 LYS 55 HB1 LYS 55 77.469 19.483 9.070 422 HG2 LYS 55 HG2 LYS 55 76.574 18.116 11.250 423 HG3 LYS 55 HG1 LYS 55 77.292 19.497 12.058 424 HD2 LYS 55 HD2 LYS 55 75.957 21.007 10.587 425 HD3 LYS 55 HD1 LYS 55 75.189 19.581 9.883 426 HE2 LYS 55 HE2 LYS 55 73.702 20.320 11.596 427 HE3 LYS 55 HE1 LYS 55 74.548 18.925 12.267 428 HZ1 LYS 55 HZ1 LYS 55 76.203 20.742 13.072 429 HZ2 LYS 55 HZ2 LYS 55 74.780 20.433 13.948 430 HZ3 LYS 55 HZ3 LYS 55 74.865 21.771 12.904 431 H LYS 56 HN LYS 56 80.841 16.595 9.398 432 HA LYS 56 HA LYS 56 81.676 18.236 7.120 433 HB2 LYS 56 HB2 LYS 56 83.378 17.372 8.619 434 HB3 LYS 56 HB1 LYS 56 82.849 15.714 8.329 435 HG2 LYS 56 HG2 LYS 56 83.852 15.611 6.243 436 HG3 LYS 56 HG1 LYS 56 83.573 17.317 5.902 437 HD2 LYS 56 HD2 LYS 56 85.983 16.824 6.194 438 HD3 LYS 56 HD1 LYS 56 85.394 17.949 7.415 439 HE2 LYS 56 HE2 LYS 56 85.366 15.007 8.033 440 HE3 LYS 56 HE1 LYS 56 86.890 15.888 8.124 441 HZ1 LYS 56 HZ1 LYS 56 85.566 17.564 9.495 442 HZ2 LYS 56 HZ2 LYS 56 86.006 16.102 10.236 443 HZ3 LYS 56 HZ3 LYS 56 84.420 16.327 9.673 444 H ASP 57 HN ASP 57 81.994 17.358 4.962 445 HA ASP 57 HA ASP 57 79.786 16.071 3.845 446 HB2 ASP 57 HB2 ASP 57 82.585 15.721 2.756 447 HB3 ASP 57 HB1 ASP 57 81.072 15.819 1.858 448 H TRP 58 HN TRP 58 79.011 14.101 4.421 449 HA TRP 58 HA TRP 58 80.936 11.838 4.758 450 HB2 TRP 58 HB2 TRP 58 78.549 12.730 6.340 451 HB3 TRP 58 HB1 TRP 58 78.943 11.022 6.281 452 HD1 TRP 58 HD1 TRP 58 79.588 13.905 8.315 453 HE1 TRP 58 HE1 TRP 58 81.723 13.624 9.725 454 HE3 TRP 58 HE3 TRP 58 81.742 9.952 5.903 455 HZ2 TRP 58 HZ2 TRP 58 84.036 11.955 9.817 456 HZ3 TRP 58 HZ3 TRP 58 83.911 9.034 6.684 457 HH2 TRP 58 HH2 TRP 58 85.061 10.035 8.634 458 H SER 59 HN SER 59 77.817 12.934 3.505 459 HA SER 59 HA SER 59 76.800 10.371 2.748 460 HB2 SER 59 HB2 SER 59 75.770 12.184 0.860 461 HB3 SER 59 HB1 SER 59 75.044 11.786 2.412 462 HG SER 59 HG SER 59 76.909 13.853 1.847 463 H ASP 60 HN ASP 60 78.409 12.810 0.658 464 HA ASP 60 HA ASP 60 78.595 11.007 -1.579 465 HB2 ASP 60 HB2 ASP 60 78.666 13.420 -1.905 466 HB3 ASP 60 HB1 ASP 60 80.134 13.534 -0.932 467 H HIS 61 HN HIS 61 80.224 10.945 1.329 468 HA HIS 61 HA HIS 61 82.861 10.280 0.373 469 HB2 HIS 61 HB2 HIS 61 83.300 10.683 2.563 470 HB3 HIS 61 HB1 HIS 61 81.578 10.719 2.894 471 HD1 HIS 61 HD1 HIS 61 84.521 8.353 2.855 472 HD2 HIS 61 HD2 HIS 61 80.579 8.430 4.206 473 HE1 HIS 61 HE1 HIS 61 84.223 6.311 4.322 474 H ALA 62 HN ALA 62 83.884 8.259 0.429 475 HA ALA 62 HA ALA 62 82.460 5.775 0.822 476 HB1 ALA 62 HB1 ALA 62 81.401 6.119 -1.269 477 HB2 ALA 62 HB2 ALA 62 82.791 5.111 -1.673 478 HB3 ALA 62 HB3 ALA 62 82.843 6.849 -1.977 479 H LEU 63 HN LEU 63 83.983 3.950 0.539 480 HA LEU 63 HA LEU 63 86.800 4.891 0.776 481 HB2 LEU 63 HB2 LEU 63 85.661 2.110 1.194 482 HB3 LEU 63 HB1 LEU 63 87.276 2.653 1.618 483 HG LEU 63 HG LEU 63 85.938 2.644 3.615 484 HD11 LEU 63 HD11 LEU 63 87.501 4.638 3.046 485 HD12 LEU 63 HD12 LEU 63 86.390 4.804 4.405 486 HD13 LEU 63 HD13 LEU 63 86.005 5.556 2.859 487 HD21 LEU 63 HD21 LEU 63 84.005 4.710 2.633 488 HD22 LEU 63 HD22 LEU 63 83.783 3.436 3.824 489 HD23 LEU 63 HD23 LEU 63 83.744 3.045 2.109 490 H TRP 64 HN TRP 64 88.473 4.104 -0.531 491 HA TRP 64 HA TRP 64 87.644 2.643 -3.030 492 HB2 TRP 64 HB2 TRP 64 88.203 4.488 -4.243 493 HB3 TRP 64 HB1 TRP 64 88.478 5.354 -2.759 494 HD1 TRP 64 HD1 TRP 64 91.169 4.437 -1.725 495 HE1 TRP 64 HE1 TRP 64 93.336 4.726 -3.081 496 HE3 TRP 64 HE3 TRP 64 89.216 4.907 -6.419 497 HZ2 TRP 64 HZ2 TRP 64 94.140 5.140 -5.795 498 HZ3 TRP 64 HZ3 TRP 64 90.703 5.269 -8.368 499 HH2 TRP 64 HH2 TRP 64 93.160 5.389 -8.063 500 H TRP 65 HN TRP 65 89.232 1.206 -3.870 501 HA TRP 65 HA TRP 65 91.364 0.461 -1.904 502 HB2 TRP 65 HB2 TRP 65 89.500 -1.180 -2.591 503 HB3 TRP 65 HB1 TRP 65 90.301 -1.253 -4.155 504 HD1 TRP 65 HD1 TRP 65 93.145 -0.857 -2.073 505 HE1 TRP 65 HE1 TRP 65 94.155 -3.101 -1.327 506 HE3 TRP 65 HE3 TRP 65 89.236 -3.990 -3.096 507 HZ2 TRP 65 HZ2 TRP 65 93.423 -5.848 -1.178 508 HZ3 TRP 65 HZ3 TRP 65 89.433 -6.420 -2.644 509 HH2 TRP 65 HH2 TRP 65 91.517 -7.349 -1.685 510 H GLU 66 HN GLU 66 92.996 1.925 -2.721 511 HA GLU 66 HA GLU 66 93.570 2.364 -5.436 512 HB2 GLU 66 HB2 GLU 66 95.913 2.899 -4.669 513 HB3 GLU 66 HB1 GLU 66 94.622 3.763 -3.851 514 HG2 GLU 66 HG2 GLU 66 94.701 2.020 -2.037 515 HG3 GLU 66 HG1 GLU 66 96.116 1.360 -2.843 516 H LYS 67 HN LYS 67 94.265 -0.519 -3.565 517 HA LYS 67 HA LYS 67 96.393 -1.479 -5.254 518 HB2 LYS 67 HB2 LYS 67 94.305 -2.997 -3.705 519 HB3 LYS 67 HB1 LYS 67 95.609 -3.764 -4.572 520 HG2 LYS 67 HG2 LYS 67 95.843 -3.237 -1.994 521 HG3 LYS 67 HG1 LYS 67 97.213 -3.110 -3.054 522 HD2 LYS 67 HD2 LYS 67 96.951 -0.705 -3.182 523 HD3 LYS 67 HD1 LYS 67 95.463 -0.788 -2.233 524 HE2 LYS 67 HE2 LYS 67 97.438 -0.143 -0.859 525 HE3 LYS 67 HE1 LYS 67 96.693 -1.646 -0.315 526 HZ1 LYS 67 HZ1 LYS 67 98.355 -2.874 -1.584 527 HZ2 LYS 67 HZ2 LYS 67 99.084 -1.868 -0.425 528 HZ3 LYS 67 HZ3 LYS 67 99.083 -1.420 -2.064 529 H LYS 68 HN LYS 68 93.068 -0.958 -5.537 530 HA LYS 68 HA LYS 68 92.881 -2.428 -8.135 531 HB2 LYS 68 HB2 LYS 68 90.451 -1.797 -6.472 532 HB3 LYS 68 HB1 LYS 68 90.701 -3.103 -7.625 533 HG2 LYS 68 HG2 LYS 68 92.211 -2.988 -4.995 534 HG3 LYS 68 HG1 LYS 68 90.632 -3.730 -5.139 535 HD2 LYS 68 HD2 LYS 68 91.399 -5.358 -6.689 536 HD3 LYS 68 HD1 LYS 68 92.904 -4.487 -6.974 537 HE2 LYS 68 HE2 LYS 68 93.839 -5.179 -4.958 538 HE3 LYS 68 HE1 LYS 68 92.278 -5.408 -4.181 539 HZ1 LYS 68 HZ1 LYS 68 92.466 -7.544 -4.681 540 HZ2 LYS 68 HZ2 LYS 68 93.858 -7.274 -5.618 541 HZ3 LYS 68 HZ3 LYS 68 92.317 -7.141 -6.322 542 H ARG 69 HN ARG 69 92.705 0.576 -6.516 543 HA ARG 69 HA ARG 69 91.977 2.697 -7.189 544 HB2 ARG 69 HB2 ARG 69 92.525 1.378 -9.870 545 HB3 ARG 69 HB1 ARG 69 92.011 3.053 -9.733 546 HG2 ARG 69 HG2 ARG 69 94.328 3.314 -9.762 547 HG3 ARG 69 HG1 ARG 69 94.036 3.233 -8.029 548 HD2 ARG 69 HD2 ARG 69 95.807 1.719 -8.355 549 HD3 ARG 69 HD1 ARG 69 94.387 0.680 -8.307 550 HE ARG 69 HE ARG 69 94.803 0.125 -10.555 551 HH11 ARG 69 HH11 ARG 69 95.887 0.344 -12.525 552 HH12 ARG 69 HH12 ARG 69 96.919 1.710 -12.785 553 HH21 ARG 69 HH21 ARG 69 96.337 3.079 -9.652 554 HH22 ARG 69 HH22 ARG 69 97.173 3.259 -11.158 555 H THR 70 HN THR 70 90.015 0.987 -6.386 556 HA THR 70 HA THR 70 87.795 1.345 -8.379 557 HB THR 70 HB THR 70 88.488 -0.986 -7.519 558 HG1 THR 70 HG1 THR 70 86.538 -0.664 -8.547 559 HG21 THR 70 HG21 THR 70 86.799 -0.350 -5.132 560 HG22 THR 70 HG22 THR 70 88.532 -0.022 -5.080 561 HG23 THR 70 HG23 THR 70 87.954 -1.664 -5.361 562 H TRP 71 HN TRP 71 85.652 1.164 -6.869 563 HA TRP 71 HA TRP 71 85.880 3.189 -4.694 564 HB2 TRP 71 HB2 TRP 71 83.369 3.649 -5.605 565 HB3 TRP 71 HB1 TRP 71 84.758 4.543 -6.195 566 HD1 TRP 71 HD1 TRP 71 83.028 1.188 -7.114 567 HE1 TRP 71 HE1 TRP 71 83.025 0.968 -9.638 568 HE3 TRP 71 HE3 TRP 71 85.459 5.500 -8.363 569 HZ2 TRP 71 HZ2 TRP 71 83.924 2.415 -11.945 570 HZ3 TRP 71 HZ3 TRP 71 85.870 6.052 -10.745 571 HH2 TRP 71 HH2 TRP 71 85.106 4.516 -12.536 572 H LEU 72 HN LEU 72 85.648 1.846 -2.988 573 HA LEU 72 HA LEU 72 84.284 -0.628 -3.100 574 HB2 LEU 72 HB2 LEU 72 84.946 1.089 -0.715 575 HB3 LEU 72 HB1 LEU 72 84.516 -0.613 -0.644 576 HG LEU 72 HG LEU 72 86.793 0.431 -2.332 577 HD11 LEU 72 HD11 LEU 72 86.861 -0.622 0.494 578 HD12 LEU 72 HD12 LEU 72 87.309 0.997 -0.046 579 HD13 LEU 72 HD13 LEU 72 88.286 -0.393 -0.522 580 HD21 LEU 72 HD21 LEU 72 87.489 -2.092 -1.844 581 HD22 LEU 72 HD22 LEU 72 86.361 -1.700 -3.140 582 HD23 LEU 72 HD23 LEU 72 85.755 -2.289 -1.590 583 H LEU 73 HN LEU 73 82.320 -0.146 -4.089 584 HA LEU 73 HA LEU 73 80.215 0.946 -2.254 585 HB2 LEU 73 HB2 LEU 73 78.889 1.456 -4.329 586 HB3 LEU 73 HB1 LEU 73 80.354 2.417 -4.171 587 HG LEU 73 HG LEU 73 81.382 0.400 -5.643 588 HD11 LEU 73 HD11 LEU 73 79.229 -0.842 -5.762 589 HD12 LEU 73 HD12 LEU 73 79.778 -0.326 -7.352 590 HD13 LEU 73 HD13 LEU 73 78.485 0.551 -6.532 591 HD21 LEU 73 HD21 LEU 73 81.458 2.725 -6.333 592 HD22 LEU 73 HD22 LEU 73 79.737 2.725 -6.684 593 HD23 LEU 73 HD23 LEU 73 80.840 1.776 -7.678 594 H LYS 74 HN LYS 74 81.543 -1.791 -3.238 595 HA LYS 74 HA LYS 74 79.245 -3.324 -4.135 596 HB2 LYS 74 HB2 LYS 74 81.661 -4.611 -2.875 597 HB3 LYS 74 HB1 LYS 74 80.685 -5.172 -4.214 598 HG2 LYS 74 HG2 LYS 74 82.302 -2.651 -4.582 599 HG3 LYS 74 HG1 LYS 74 83.130 -4.186 -4.602 600 HD2 LYS 74 HD2 LYS 74 82.639 -3.908 -6.860 601 HD3 LYS 74 HD1 LYS 74 81.268 -4.876 -6.347 602 HE2 LYS 74 HE2 LYS 74 79.858 -2.957 -6.266 603 HE3 LYS 74 HE1 LYS 74 81.226 -1.858 -6.424 604 HZ1 LYS 74 HZ1 LYS 74 80.654 -3.869 -8.500 605 HZ2 LYS 74 HZ2 LYS 74 81.521 -2.413 -8.631 606 HZ3 LYS 74 HZ3 LYS 74 79.829 -2.387 -8.488 607 H THR 75 HN THR 75 78.883 -1.830 -1.635 608 HA THR 75 HA THR 75 79.126 -3.348 0.696 609 HB THR 75 HB THR 75 76.643 -1.748 0.037 610 HG1 THR 75 HG1 THR 75 78.237 -0.396 -0.520 611 HG21 THR 75 HG21 THR 75 76.372 -2.607 2.195 612 HG22 THR 75 HG22 THR 75 77.152 -1.060 2.520 613 HG23 THR 75 HG23 THR 75 78.097 -2.544 2.555 614 H HIS 76 HN HIS 76 77.423 -4.196 -2.091 615 HA HIS 76 HA HIS 76 75.150 -5.567 -1.152 616 HB2 HIS 76 HB2 HIS 76 75.871 -5.263 -3.567 617 HB3 HIS 76 HB1 HIS 76 77.008 -6.587 -3.315 618 HD1 HIS 76 HD1 HIS 76 73.835 -6.116 -4.705 619 HD2 HIS 76 HD2 HIS 76 75.317 -8.889 -1.968 620 HE1 HIS 76 HE1 HIS 76 72.252 -8.092 -4.760 621 H TRP 77 HN TRP 77 78.270 -7.140 -1.891 622 HA TRP 77 HA TRP 77 77.599 -9.335 -0.035 623 HB2 TRP 77 HB2 TRP 77 80.331 -9.376 -1.172 624 HB3 TRP 77 HB1 TRP 77 79.050 -10.578 -1.301 625 HD1 TRP 77 HD1 TRP 77 80.708 -7.758 -3.116 626 HE1 TRP 77 HE1 TRP 77 79.664 -7.499 -5.450 627 HE3 TRP 77 HE3 TRP 77 76.683 -10.863 -2.631 628 HZ2 TRP 77 HZ2 TRP 77 77.414 -8.477 -6.929 629 HZ3 TRP 77 HZ3 TRP 77 75.107 -11.181 -4.517 630 HH2 TRP 77 HH2 TRP 77 75.466 -9.992 -6.663 631 H THR 78 HN THR 78 80.651 -9.559 0.576 632 HA THR 78 HA THR 78 80.842 -7.313 2.533 633 HB THR 78 HB THR 78 82.034 -9.821 3.520 634 HG1 THR 78 HG1 THR 78 79.274 -9.983 3.555 635 HG21 THR 78 HG21 THR 78 81.648 -8.246 5.200 636 HG22 THR 78 HG22 THR 78 80.253 -9.310 5.381 637 HG23 THR 78 HG23 THR 78 80.071 -7.773 4.554 638 H LEU 79 HN LEU 79 83.155 -7.214 3.338 639 HA LEU 79 HA LEU 79 84.879 -6.875 1.133 640 HB2 LEU 79 HB2 LEU 79 86.565 -6.363 2.677 641 HB3 LEU 79 HB1 LEU 79 85.096 -5.660 3.198 642 HG LEU 79 HG LEU 79 86.307 -8.170 4.271 643 HD11 LEU 79 HD11 LEU 79 87.607 -6.285 4.962 644 HD12 LEU 79 HD12 LEU 79 86.579 -6.723 6.330 645 HD13 LEU 79 HD13 LEU 79 86.154 -5.348 5.310 646 HD21 LEU 79 HD21 LEU 79 83.966 -8.403 4.673 647 HD22 LEU 79 HD22 LEU 79 83.767 -6.668 4.875 648 HD23 LEU 79 HD23 LEU 79 84.527 -7.610 6.142 649 H ASP 80 HN ASP 80 84.902 -9.412 3.600 650 HA ASP 80 HA ASP 80 87.003 -11.019 2.770 651 HB2 ASP 80 HB2 ASP 80 85.180 -11.397 4.550 652 HB3 ASP 80 HB1 ASP 80 84.252 -12.165 3.276 653 H LYS 81 HN LYS 81 83.853 -10.600 1.299 654 HA LYS 81 HA LYS 81 84.070 -12.688 -0.648 655 HB2 LYS 81 HB2 LYS 81 82.559 -10.116 -1.105 656 HB3 LYS 81 HB1 LYS 81 82.156 -11.740 -1.641 657 HG2 LYS 81 HG2 LYS 81 82.032 -10.666 1.176 658 HG3 LYS 81 HG1 LYS 81 80.692 -11.242 0.188 659 HD2 LYS 81 HD2 LYS 81 81.906 -13.486 0.142 660 HD3 LYS 81 HD1 LYS 81 82.904 -12.854 1.439 661 HE2 LYS 81 HE2 LYS 81 81.005 -12.560 2.879 662 HE3 LYS 81 HE1 LYS 81 79.880 -12.897 1.564 663 HZ1 LYS 81 HZ1 LYS 81 81.584 -15.058 1.665 664 HZ2 LYS 81 HZ2 LYS 81 79.965 -15.009 2.177 665 HZ3 LYS 81 HZ3 LYS 81 81.218 -14.713 3.285 666 H TYR 82 HN TYR 82 84.637 -9.198 -0.818 667 HA TYR 82 HA TYR 82 85.700 -9.240 -3.469 668 HB2 TYR 82 HB2 TYR 82 85.250 -7.274 -1.466 669 HB3 TYR 82 HB1 TYR 82 86.972 -7.180 -1.817 670 HD1 TYR 82 HD1 TYR 82 87.435 -5.466 -3.346 671 HD2 TYR 82 HD2 TYR 82 83.894 -7.838 -3.895 672 HE1 TYR 82 HE1 TYR 82 86.936 -4.238 -5.438 673 HE2 TYR 82 HE2 TYR 82 83.399 -6.608 -5.988 674 HH TYR 82 HH TYR 82 85.105 -3.741 -6.882 675 H GLY 83 HN GLY 83 87.267 -9.526 -0.259 676 HA2 GLY 83 HA2 GLY 83 89.097 -11.258 -0.121 677 HA3 GLY 83 HA1 GLY 83 89.655 -10.730 -1.707 678 H ILE 84 HN ILE 84 88.580 -8.707 0.913 679 HA ILE 84 HA ILE 84 91.108 -7.175 0.853 680 HB ILE 84 HB ILE 84 88.424 -6.867 2.127 681 HG12 ILE 84 HG12 ILE 84 89.656 -5.046 0.077 682 HG13 ILE 84 HG11 ILE 84 88.802 -6.512 -0.396 683 HG21 ILE 84 HG21 ILE 84 89.069 -4.582 2.743 684 HG22 ILE 84 HG22 ILE 84 90.728 -4.935 2.244 685 HG23 ILE 84 HG23 ILE 84 90.002 -5.797 3.608 686 HD11 ILE 84 HD11 ILE 84 87.458 -4.277 -0.230 687 HD12 ILE 84 HD12 ILE 84 87.509 -4.571 1.509 688 HD13 ILE 84 HD13 ILE 84 86.753 -5.747 0.435 689 H GLN 85 HN GLN 85 92.119 -6.634 2.983 690 HA GLN 85 HA GLN 85 91.431 -8.179 5.334 691 HB2 GLN 85 HB2 GLN 85 92.815 -9.683 3.566 692 HB3 GLN 85 HB1 GLN 85 94.170 -8.883 4.350 693 HG2 GLN 85 HG2 GLN 85 93.943 -10.710 5.773 694 HG3 GLN 85 HG1 GLN 85 92.848 -9.584 6.575 695 HE21 GLN 85 HE21 GLN 85 90.621 -9.679 4.901 696 HE22 GLN 85 HE22 GLN 85 89.963 -11.236 4.914 697 H ALA 86 HN ALA 86 93.859 -8.110 6.656 698 HA ALA 86 HA ALA 86 94.085 -5.325 7.341 699 HB1 ALA 86 HB1 ALA 86 94.533 -7.407 8.797 700 HB2 ALA 86 HB2 ALA 86 95.640 -6.047 8.975 701 HB3 ALA 86 HB3 ALA 86 96.112 -7.455 8.018 702 H ASP 87 HN ASP 87 95.683 -7.360 5.041 703 HA ASP 87 HA ASP 87 98.037 -5.635 4.789 704 HB2 ASP 87 HB2 ASP 87 98.361 -7.099 2.681 705 HB3 ASP 87 HB1 ASP 87 98.441 -7.909 4.247 706 H ALA 88 HN ALA 88 94.844 -5.411 3.875 707 HA ALA 88 HA ALA 88 95.391 -3.957 1.335 708 HB1 ALA 88 HB1 ALA 88 93.596 -5.464 1.101 709 HB2 ALA 88 HB2 ALA 88 92.790 -3.920 1.381 710 HB3 ALA 88 HB3 ALA 88 92.965 -5.084 2.696 711 H LYS 89 HN LYS 89 95.886 -1.802 1.691 712 HA LYS 89 HA LYS 89 94.600 -0.408 3.989 713 HB2 LYS 89 HB2 LYS 89 96.628 0.863 2.163 714 HB3 LYS 89 HB1 LYS 89 96.274 1.222 3.852 715 HG2 LYS 89 HG2 LYS 89 97.495 -1.392 2.922 716 HG3 LYS 89 HG1 LYS 89 98.429 -0.010 3.448 717 HD2 LYS 89 HD2 LYS 89 97.742 -0.182 5.672 718 HD3 LYS 89 HD1 LYS 89 96.279 -1.064 5.255 719 HE2 LYS 89 HE2 LYS 89 97.928 -2.560 6.296 720 HE3 LYS 89 HE1 LYS 89 97.603 -3.015 4.622 721 HZ1 LYS 89 HZ1 LYS 89 99.773 -1.124 5.081 722 HZ2 LYS 89 HZ2 LYS 89 99.650 -2.384 3.947 723 HZ3 LYS 89 HZ3 LYS 89 100.048 -2.726 5.563 724 H LEU 90 HN LEU 90 92.776 0.530 3.616 725 HA LEU 90 HA LEU 90 92.056 1.456 0.894 726 HB2 LEU 90 HB2 LEU 90 90.254 1.651 3.294 727 HB3 LEU 90 HB1 LEU 90 89.824 1.436 1.598 728 HG LEU 90 HG LEU 90 91.155 -0.598 3.393 729 HD11 LEU 90 HD11 LEU 90 89.012 -1.878 2.727 730 HD12 LEU 90 HD12 LEU 90 88.392 -0.307 2.222 731 HD13 LEU 90 HD13 LEU 90 88.846 -0.575 3.903 732 HD21 LEU 90 HD21 LEU 90 90.565 -0.577 0.428 733 HD22 LEU 90 HD22 LEU 90 90.753 -2.086 1.325 734 HD23 LEU 90 HD23 LEU 90 92.091 -0.943 1.235 735 H GLN 91 HN GLN 91 90.717 3.601 1.010 736 HA GLN 91 HA GLN 91 92.051 5.597 2.786 737 HB2 GLN 91 HB2 GLN 91 91.425 6.130 -0.128 738 HB3 GLN 91 HB1 GLN 91 92.378 7.125 0.965 739 HG2 GLN 91 HG2 GLN 91 94.261 5.759 0.784 740 HG3 GLN 91 HG1 GLN 91 93.328 4.340 0.371 741 HE21 GLN 91 HE21 GLN 91 92.336 7.133 -1.303 742 HE22 GLN 91 HE22 GLN 91 93.079 6.776 -2.776 743 H PHE 92 HN PHE 92 90.734 7.540 3.047 744 HA PHE 92 HA PHE 92 87.820 7.057 2.520 745 HB2 PHE 92 HB2 PHE 92 87.938 7.385 4.835 746 HB3 PHE 92 HB1 PHE 92 89.317 8.468 4.712 747 HD1 PHE 92 HD1 PHE 92 85.679 8.244 4.718 748 HD2 PHE 92 HD2 PHE 92 89.009 10.810 3.882 749 HE1 PHE 92 HE1 PHE 92 84.167 10.214 4.715 750 HE2 PHE 92 HE2 PHE 92 87.507 12.780 3.902 751 HZ PHE 92 HZ PHE 92 85.082 12.479 4.317 752 H THR 93 HN THR 93 86.833 8.461 1.082 753 HA THR 93 HA THR 93 88.137 11.076 0.501 754 HB THR 93 HB THR 93 89.113 9.967 -1.298 755 HG1 THR 93 HG1 THR 93 87.168 10.041 -2.982 756 HG21 THR 93 HG21 THR 93 86.654 8.199 -1.302 757 HG22 THR 93 HG22 THR 93 88.290 7.749 -0.819 758 HG23 THR 93 HG23 THR 93 87.934 8.097 -2.511 759 HA PRO 94 HA PRO 94 83.873 12.327 0.383 760 HB2 PRO 94 HB2 PRO 94 84.004 14.612 -1.099 761 HB3 PRO 94 HB1 PRO 94 84.691 14.499 0.533 762 HG2 PRO 94 HG2 PRO 94 86.075 14.260 -2.109 763 HG3 PRO 94 HG1 PRO 94 86.559 15.175 -0.668 764 HD2 PRO 94 HD2 PRO 94 87.621 12.734 -1.253 765 HD3 PRO 94 HD1 PRO 94 87.386 13.287 0.420 766 H TYR 541 HT1 TYR 541 55.946 42.128 10.421 767 HA TYR 541 HA TYR 541 55.779 40.697 12.387 768 HB2 TYR 541 HB2 TYR 541 54.973 43.300 13.723 769 HB3 TYR 541 HB1 TYR 541 54.902 41.701 14.463 770 HD1 TYR 541 HD1 TYR 541 56.954 40.484 15.051 771 HD2 TYR 541 HD2 TYR 541 57.100 44.426 13.350 772 HE1 TYR 541 HE1 TYR 541 59.330 40.688 15.728 773 HE2 TYR 541 HE2 TYR 541 59.476 44.630 14.028 774 HH TYR 541 HH TYR 541 61.074 43.718 15.420 775 H HIS 542 HN HIS 542 54.318 41.450 10.024 776 HA HIS 542 HA HIS 542 51.597 42.136 10.662 777 HB2 HIS 542 HB2 HIS 542 52.951 40.871 8.276 778 HB3 HIS 542 HB1 HIS 542 51.206 41.083 8.334 779 HD1 HIS 542 HD1 HIS 542 50.472 43.694 8.977 780 HD2 HIS 542 HD2 HIS 542 54.251 43.107 7.317 781 HE1 HIS 542 HE1 HIS 542 51.223 45.945 8.093 782 H GLU 543 HN GLU 543 51.834 39.226 8.836 783 HA GLU 543 HA GLU 543 51.034 37.544 11.171 784 HB2 GLU 543 HB2 GLU 543 49.099 36.675 9.961 785 HB3 GLU 543 HB1 GLU 543 48.965 38.427 10.094 786 HG2 GLU 543 HG2 GLU 543 48.462 38.091 7.832 787 HG3 GLU 543 HG1 GLU 543 50.189 38.438 7.763 788 H ARG 544 HN ARG 544 52.982 37.941 8.531 789 HA ARG 544 HA ARG 544 52.973 35.327 7.355 790 HB2 ARG 544 HB2 ARG 544 55.100 37.479 7.512 791 HB3 ARG 544 HB1 ARG 544 55.335 35.975 6.642 792 HG2 ARG 544 HG2 ARG 544 54.559 37.402 4.948 793 HG3 ARG 544 HG1 ARG 544 53.111 36.544 5.428 794 HD2 ARG 544 HD2 ARG 544 52.096 38.493 5.973 795 HD3 ARG 544 HD1 ARG 544 53.370 38.884 7.110 796 HE ARG 544 HE ARG 544 52.920 40.180 4.633 797 HH11 ARG 544 HH11 ARG 544 54.494 41.352 3.549 798 HH12 ARG 544 HH12 ARG 544 56.167 41.067 3.897 799 HH21 ARG 544 HH21 ARG 544 55.537 38.631 6.270 800 HH22 ARG 544 HH22 ARG 544 56.755 39.531 5.434 801 H ARG 545 HN ARG 545 52.747 34.285 9.632 802 HA ARG 545 HA ARG 545 55.234 34.067 11.167 803 HB2 ARG 545 HB2 ARG 545 53.890 32.513 12.550 804 HB3 ARG 545 HB1 ARG 545 53.050 34.037 12.284 805 HG2 ARG 545 HG2 ARG 545 52.121 32.643 10.138 806 HG3 ARG 545 HG1 ARG 545 52.401 31.308 11.243 807 HD2 ARG 545 HD2 ARG 545 51.112 32.937 12.942 808 HD3 ARG 545 HD1 ARG 545 50.434 33.555 11.437 809 HE ARG 545 HE ARG 545 49.632 31.167 12.735 810 HH11 ARG 545 HH11 ARG 545 48.748 29.387 11.694 811 HH12 ARG 545 HH12 ARG 545 48.884 29.247 9.973 812 HH21 ARG 545 HH21 ARG 545 50.598 32.226 9.592 813 HH22 ARG 545 HH22 ARG 545 49.938 30.846 8.790 814 H GLY 546 HN GLY 546 54.716 31.164 11.709 815 HA2 GLY 546 HA2 GLY 546 55.159 29.802 9.158 816 HA3 GLY 546 HA1 GLY 546 56.602 29.906 10.166 817 H SER 547 HN SER 547 56.771 28.569 11.961 818 HA SER 547 HA SER 547 54.533 27.220 13.181 819 HB2 SER 547 HB2 SER 547 56.001 25.891 10.947 820 HB3 SER 547 HB1 SER 547 55.601 24.895 12.343 821 HG SER 547 HG SER 547 53.646 24.848 11.600 822 H LEU 548 HN LEU 548 55.322 27.034 15.259 823 HA LEU 548 HA LEU 548 58.064 27.365 15.873 824 HB2 LEU 548 HB2 LEU 548 55.602 26.665 17.356 825 HB3 LEU 548 HB1 LEU 548 57.074 26.051 18.096 826 HG LEU 548 HG LEU 548 58.026 28.410 17.875 827 HD11 LEU 548 HD11 LEU 548 55.172 28.906 17.047 828 HD12 LEU 548 HD12 LEU 548 56.656 29.440 16.266 829 HD13 LEU 548 HD13 LEU 548 56.149 30.176 17.779 830 HD21 LEU 548 HD21 LEU 548 56.947 27.384 19.967 831 HD22 LEU 548 HD22 LEU 548 55.530 28.346 19.556 832 HD23 LEU 548 HD23 LEU 548 57.069 29.141 19.898 833 H CYS 549 HN CYS 549 59.762 25.960 16.062 834 HA CYS 549 HA CYS 549 59.322 23.195 15.144 835 HB2 CYS 549 HB2 CYS 549 61.333 24.103 14.305 836 HB3 CYS 549 HB1 CYS 549 61.701 24.926 15.808 837 H SER 550 HN SER 550 58.335 22.045 16.724 838 HA SER 550 HA SER 550 58.406 22.473 19.468 839 HB2 SER 550 HB2 SER 550 56.794 20.962 18.675 840 HB3 SER 550 HB1 SER 550 57.995 19.918 17.924 841 HG SER 550 HG SER 550 58.253 20.405 20.650 842 H GLY 551 HN GLY 551 59.852 22.304 20.955 843 HA2 GLY 551 HA2 GLY 551 61.669 21.049 22.094 844 HA3 GLY 551 HA1 GLY 551 62.313 20.654 20.493 845 H CYS 552 HN CYS 552 61.721 23.186 19.353 846 HA CYS 552 HA CYS 552 63.874 24.861 20.571 847 HB2 CYS 552 HB2 CYS 552 62.746 24.460 17.811 848 HB3 CYS 552 HB1 CYS 552 63.533 25.980 18.204 849 H GLN 553 HN GLN 553 60.586 24.738 19.358 850 HA GLN 553 HA GLN 553 58.826 26.184 19.505 851 HB2 GLN 553 HB2 GLN 553 60.223 26.924 22.061 852 HB3 GLN 553 HB1 GLN 553 58.594 27.450 21.628 853 HG2 GLN 553 HG2 GLN 553 59.455 24.558 21.713 854 HG3 GLN 553 HG1 GLN 553 58.644 25.367 23.039 855 HE21 GLN 553 HE21 GLN 553 58.243 24.304 19.685 856 HE22 GLN 553 HE22 GLN 553 56.545 24.300 19.699 857 H LYS 554 HN LYS 554 60.304 26.986 17.722 858 HA LYS 554 HA LYS 554 60.318 29.942 17.907 859 HB2 LYS 554 HB2 LYS 554 62.578 28.285 16.754 860 HB3 LYS 554 HB1 LYS 554 62.441 30.030 16.587 861 HG2 LYS 554 HG2 LYS 554 62.584 28.575 19.239 862 HG3 LYS 554 HG1 LYS 554 63.967 29.319 18.444 863 HD2 LYS 554 HD2 LYS 554 62.439 31.470 18.417 864 HD3 LYS 554 HD1 LYS 554 61.567 30.633 19.700 865 HE2 LYS 554 HE2 LYS 554 64.541 31.217 19.714 866 HE3 LYS 554 HE1 LYS 554 63.322 32.118 20.617 867 HZ1 LYS 554 HZ1 LYS 554 64.048 30.596 22.158 868 HZ2 LYS 554 HZ2 LYS 554 64.268 29.360 21.014 869 HZ3 LYS 554 HZ3 LYS 554 62.702 29.791 21.513 870 HA PRO 555 HA PRO 555 57.723 29.026 14.298 871 HB2 PRO 555 HB2 PRO 555 58.732 31.631 13.303 872 HB3 PRO 555 HB1 PRO 555 57.070 31.058 13.467 873 HG2 PRO 555 HG2 PRO 555 58.233 32.848 15.201 874 HG3 PRO 555 HG1 PRO 555 56.906 31.775 15.657 875 HD2 PRO 555 HD2 PRO 555 59.725 31.678 16.521 876 HD3 PRO 555 HD1 PRO 555 58.321 30.820 17.203 877 H ILE 556 HN ILE 556 58.106 27.933 12.524 878 HA ILE 556 HA ILE 556 60.835 27.826 11.373 879 HB ILE 556 HB ILE 556 58.322 26.158 11.010 880 HG12 ILE 556 HG12 ILE 556 60.957 25.166 12.091 881 HG13 ILE 556 HG11 ILE 556 59.893 26.054 13.160 882 HG21 ILE 556 HG21 ILE 556 59.467 26.080 8.924 883 HG22 ILE 556 HG22 ILE 556 59.929 24.619 9.794 884 HG23 ILE 556 HG23 ILE 556 61.042 25.979 9.712 885 HD11 ILE 556 HD11 ILE 556 58.570 23.899 11.582 886 HD12 ILE 556 HD12 ILE 556 58.370 24.337 13.279 887 HD13 ILE 556 HD13 ILE 556 59.740 23.356 12.781 888 H THR 557 HN THR 557 60.948 29.677 10.042 889 HA THR 557 HA THR 557 58.703 30.194 8.154 890 HB THR 557 HB THR 557 59.536 32.380 7.968 891 HG1 THR 557 HG1 THR 557 61.680 31.895 7.519 892 HG21 THR 557 HG21 THR 557 59.713 33.110 10.242 893 HG22 THR 557 HG22 THR 557 60.397 31.565 10.748 894 HG23 THR 557 HG23 THR 557 58.703 31.662 10.268 895 H GLY 558 HN GLY 558 59.061 28.567 6.651 896 HA2 GLY 558 HA2 GLY 558 60.347 29.037 4.302 897 HA3 GLY 558 HA1 GLY 558 61.627 28.287 5.267 898 H ARG 559 HN ARG 559 61.488 26.127 5.760 899 HA ARG 559 HA ARG 559 59.228 24.574 4.558 900 HB2 ARG 559 HB2 ARG 559 62.192 24.079 4.795 901 HB3 ARG 559 HB1 ARG 559 61.104 22.691 4.785 902 HG2 ARG 559 HG2 ARG 559 60.798 24.830 2.687 903 HG3 ARG 559 HG1 ARG 559 62.069 23.624 2.511 904 HD2 ARG 559 HD2 ARG 559 60.542 21.847 2.344 905 HD3 ARG 559 HD1 ARG 559 59.242 22.762 3.107 906 HE ARG 559 HE ARG 559 59.772 24.171 0.779 907 HH11 ARG 559 HH11 ARG 559 58.722 23.734 -1.174 908 HH12 ARG 559 HH12 ARG 559 58.051 22.161 -1.448 909 HH21 ARG 559 HH21 ARG 559 59.042 20.913 1.632 910 HH22 ARG 559 HH22 ARG 559 58.232 20.563 0.142 911 H CYS 560 HN CYS 560 58.407 22.847 5.911 912 HA CYS 560 HA CYS 560 59.472 22.747 8.675 913 HB2 CYS 560 HB2 CYS 560 57.218 23.028 9.646 914 HB3 CYS 560 HB1 CYS 560 57.772 24.479 8.807 915 HG CYS 560 HG CYS 560 55.269 23.065 8.124 916 H ILE 561 HN ILE 561 59.627 20.793 9.360 917 HA ILE 561 HA ILE 561 58.242 18.606 7.950 918 HB ILE 561 HB ILE 561 60.333 18.641 10.145 919 HG12 ILE 561 HG12 ILE 561 60.402 18.088 7.184 920 HG13 ILE 561 HG11 ILE 561 61.100 19.483 7.988 921 HG21 ILE 561 HG21 ILE 561 59.343 16.303 8.490 922 HG22 ILE 561 HG22 ILE 561 58.867 16.580 10.168 923 HG23 ILE 561 HG23 ILE 561 60.550 16.247 9.773 924 HD11 ILE 561 HD11 ILE 561 62.510 17.858 9.335 925 HD12 ILE 561 HD12 ILE 561 62.906 17.949 7.616 926 HD13 ILE 561 HD13 ILE 561 61.955 16.591 8.234 927 H THR 562 HN THR 562 56.842 17.257 8.994 928 HA THR 562 HA THR 562 55.819 18.165 11.656 929 HB THR 562 HB THR 562 54.130 16.734 9.619 930 HG1 THR 562 HG1 THR 562 54.673 18.647 8.657 931 HG21 THR 562 HG21 THR 562 53.379 18.533 11.926 932 HG22 THR 562 HG22 THR 562 53.521 16.780 12.075 933 HG23 THR 562 HG23 THR 562 52.310 17.481 10.997 934 H ALA 563 HN ALA 563 55.300 16.616 13.127 935 HA ALA 563 HA ALA 563 56.202 13.832 12.511 936 HB1 ALA 563 HB1 ALA 563 57.762 15.188 13.937 937 HB2 ALA 563 HB2 ALA 563 57.138 13.735 14.734 938 HB3 ALA 563 HB3 ALA 563 56.465 15.320 15.127 939 H MET 564 HN MET 564 55.366 13.719 15.547 940 HA MET 564 HA MET 564 52.861 12.393 15.146 941 HB2 MET 564 HB2 MET 564 53.733 13.557 17.780 942 HB3 MET 564 HB1 MET 564 52.920 12.024 17.460 943 HG2 MET 564 HG2 MET 564 55.074 11.364 16.190 944 HG3 MET 564 HG1 MET 564 55.809 12.748 16.995 945 HE1 MET 564 HE1 MET 564 55.904 9.235 17.090 946 HE2 MET 564 HE2 MET 564 56.749 9.142 18.633 947 HE3 MET 564 HE3 MET 564 57.255 10.325 17.430 948 H ALA 565 HN ALA 565 53.145 15.186 14.286 949 HA ALA 565 HA ALA 565 51.279 16.688 13.877 950 HB1 ALA 565 HB1 ALA 565 49.771 17.344 15.621 951 HB2 ALA 565 HB2 ALA 565 50.745 16.556 16.857 952 HB3 ALA 565 HB3 ALA 565 49.851 15.586 15.679 953 H LYS 566 HN LYS 566 53.964 16.401 15.827 954 HA LYS 566 HA LYS 566 54.139 19.233 16.616 955 HB2 LYS 566 HB2 LYS 566 55.809 16.768 16.897 956 HB3 LYS 566 HB1 LYS 566 56.670 18.301 16.929 957 HG2 LYS 566 HG2 LYS 566 55.452 19.073 18.814 958 HG3 LYS 566 HG1 LYS 566 54.244 17.800 18.656 959 HD2 LYS 566 HD2 LYS 566 57.124 17.008 19.043 960 HD3 LYS 566 HD1 LYS 566 56.215 17.588 20.432 961 HE2 LYS 566 HE2 LYS 566 54.709 15.794 20.366 962 HE3 LYS 566 HE1 LYS 566 54.991 15.486 18.648 963 HZ1 LYS 566 HZ1 LYS 566 57.404 15.202 20.087 964 HZ2 LYS 566 HZ2 LYS 566 56.567 14.043 19.170 965 HZ3 LYS 566 HZ3 LYS 566 56.206 14.249 20.817 966 H LYS 567 HN LYS 567 55.974 20.570 15.781 967 HA LYS 567 HA LYS 567 56.411 20.067 12.864 968 HB2 LYS 567 HB2 LYS 567 56.964 22.670 14.242 969 HB3 LYS 567 HB1 LYS 567 56.528 22.389 12.569 970 HG2 LYS 567 HG2 LYS 567 54.691 22.047 14.965 971 HG3 LYS 567 HG1 LYS 567 54.634 23.362 13.805 972 HD2 LYS 567 HD2 LYS 567 54.169 20.426 13.140 973 HD3 LYS 567 HD1 LYS 567 52.921 21.662 13.292 974 HE2 LYS 567 HE2 LYS 567 54.296 22.953 11.491 975 HE3 LYS 567 HE1 LYS 567 55.036 21.385 11.174 976 HZ1 LYS 567 HZ1 LYS 567 52.180 22.126 10.967 977 HZ2 LYS 567 HZ2 LYS 567 52.699 20.508 11.009 978 HZ3 LYS 567 HZ3 LYS 567 53.198 21.531 9.748 979 H PHE 568 HN PHE 568 58.714 21.090 12.202 980 HA PHE 568 HA PHE 568 60.706 20.804 14.348 981 HB2 PHE 568 HB2 PHE 568 59.971 18.548 12.599 982 HB3 PHE 568 HB1 PHE 568 61.693 18.873 12.551 983 HD1 PHE 568 HD1 PHE 568 62.907 19.124 14.838 984 HD2 PHE 568 HD2 PHE 568 59.023 17.342 14.394 985 HE1 PHE 568 HE1 PHE 568 63.175 17.992 17.028 986 HE2 PHE 568 HE2 PHE 568 59.292 16.209 16.584 987 HZ PHE 568 HZ PHE 568 61.368 16.534 17.901 988 H HIS 569 HN HIS 569 62.494 21.966 13.834 989 HA HIS 569 HA HIS 569 62.654 23.586 11.524 990 HB2 HIS 569 HB2 HIS 569 64.639 22.596 13.526 991 HB3 HIS 569 HB1 HIS 569 65.252 23.401 12.095 992 HD2 HIS 569 HD2 HIS 569 63.668 26.066 11.805 993 HE1 HIS 569 HE1 HIS 569 63.868 26.527 15.992 994 HA PRO 570 HA PRO 570 63.197 20.022 8.703 995 HB2 PRO 570 HB2 PRO 570 64.403 22.144 6.974 996 HB3 PRO 570 HB1 PRO 570 63.151 20.952 6.585 997 HG2 PRO 570 HG2 PRO 570 62.567 23.572 7.045 998 HG3 PRO 570 HG1 PRO 570 61.446 22.264 7.437 999 HD2 PRO 570 HD2 PRO 570 63.016 23.976 9.278 1000 HD3 PRO 570 HD1 PRO 570 61.554 23.010 9.601 1001 H GLU 571 HN GLU 571 65.583 21.980 10.151 1002 HA GLU 571 HA GLU 571 67.829 20.363 9.047 1003 HB2 GLU 571 HB2 GLU 571 68.176 22.696 10.918 1004 HB3 GLU 571 HB1 GLU 571 69.248 22.121 9.644 1005 HG2 GLU 571 HG2 GLU 571 67.415 22.779 7.996 1006 HG3 GLU 571 HG1 GLU 571 66.645 23.611 9.349 1007 H HIS 572 HN HIS 572 66.659 21.619 12.181 1008 HA HIS 572 HA HIS 572 68.358 20.049 13.806 1009 HB2 HIS 572 HB2 HIS 572 65.499 20.779 14.516 1010 HB3 HIS 572 HB1 HIS 572 66.828 20.477 15.634 1011 HD2 HIS 572 HD2 HIS 572 68.887 22.308 13.481 1012 HE1 HIS 572 HE1 HIS 572 66.656 25.503 15.082 1013 H PHE 573 HN PHE 573 66.104 18.934 11.634 1014 HA PHE 573 HA PHE 573 65.980 16.277 13.023 1015 HB2 PHE 573 HB2 PHE 573 63.761 17.666 12.734 1016 HB3 PHE 573 HB1 PHE 573 63.891 17.178 11.049 1017 HD1 PHE 573 HD1 PHE 573 63.515 14.888 10.364 1018 HD2 PHE 573 HD2 PHE 573 63.536 15.958 14.525 1019 HE1 PHE 573 HE1 PHE 573 62.577 12.666 10.942 1020 HE2 PHE 573 HE2 PHE 573 62.598 13.737 15.101 1021 HZ PHE 573 HZ PHE 573 62.119 12.091 13.310 1022 H VAL 574 HN VAL 574 68.127 16.774 11.525 1023 HA VAL 574 HA VAL 574 67.646 15.966 8.739 1024 HB VAL 574 HB VAL 574 70.150 16.168 8.555 1025 HG11 VAL 574 HG11 VAL 574 69.799 18.306 7.911 1026 HG12 VAL 574 HG12 VAL 574 69.526 18.844 9.546 1027 HG13 VAL 574 HG13 VAL 574 68.190 18.194 8.599 1028 HG21 VAL 574 HG21 VAL 574 71.306 17.299 10.423 1029 HG22 VAL 574 HG22 VAL 574 70.658 15.737 10.917 1030 HG23 VAL 574 HG23 VAL 574 69.830 17.231 11.384 1031 H CYS 575 HN CYS 575 69.415 14.285 7.938 1032 HA CYS 575 HA CYS 575 69.029 11.792 9.454 1033 HB2 CYS 575 HB2 CYS 575 69.123 11.054 7.299 1034 HB3 CYS 575 HB1 CYS 575 69.839 12.563 6.751 1035 H ALA 576 HN ALA 576 70.658 10.671 10.654 1036 HA ALA 576 HA ALA 576 73.022 12.431 11.224 1037 HB1 ALA 576 HB1 ALA 576 71.564 11.225 13.014 1038 HB2 ALA 576 HB2 ALA 576 73.319 11.156 13.190 1039 HB3 ALA 576 HB3 ALA 576 72.442 9.769 12.540 1040 H PHE 577 HN PHE 577 73.740 11.947 9.014 1041 HA PHE 577 HA PHE 577 75.892 10.003 9.088 1042 HB2 PHE 577 HB2 PHE 577 74.077 8.683 7.891 1043 HB3 PHE 577 HB1 PHE 577 73.981 9.973 6.701 1044 HD1 PHE 577 HD1 PHE 577 74.449 7.585 5.378 1045 HD2 PHE 577 HD2 PHE 577 77.446 9.811 7.556 1046 HE1 PHE 577 HE1 PHE 577 76.225 6.526 4.059 1047 HE2 PHE 577 HE2 PHE 577 79.187 8.729 6.213 1048 HZ PHE 577 HZ PHE 577 78.589 7.098 4.474 1049 H CYS 578 HN CYS 578 73.928 11.995 7.062 1050 HA CYS 578 HA CYS 578 76.116 13.959 6.558 1051 HB2 CYS 578 HB2 CYS 578 75.028 14.391 4.368 1052 HB3 CYS 578 HB1 CYS 578 75.540 12.709 4.483 1053 H LEU 579 HN LEU 579 75.229 14.806 8.549 1054 HA LEU 579 HA LEU 579 72.626 15.444 9.199 1055 HB2 LEU 579 HB2 LEU 579 75.036 17.165 9.793 1056 HB3 LEU 579 HB1 LEU 579 73.554 17.071 10.731 1057 HG LEU 579 HG LEU 579 74.303 14.401 10.641 1058 HD11 LEU 579 HD11 LEU 579 76.610 14.122 10.828 1059 HD12 LEU 579 HD12 LEU 579 76.892 15.806 11.260 1060 HD13 LEU 579 HD13 LEU 579 76.520 15.376 9.594 1061 HD21 LEU 579 HD21 LEU 579 73.571 15.506 12.669 1062 HD22 LEU 579 HD22 LEU 579 75.013 16.521 12.694 1063 HD23 LEU 579 HD23 LEU 579 75.150 14.787 12.984 1064 H LYS 580 HN LYS 580 73.518 16.480 6.238 1065 HA LYS 580 HA LYS 580 72.879 19.331 6.645 1066 HB2 LYS 580 HB2 LYS 580 73.588 19.687 4.481 1067 HB3 LYS 580 HB1 LYS 580 74.438 18.191 4.823 1068 HG2 LYS 580 HG2 LYS 580 71.755 18.305 3.384 1069 HG3 LYS 580 HG1 LYS 580 73.312 18.253 2.578 1070 HD2 LYS 580 HD2 LYS 580 73.794 16.087 3.326 1071 HD3 LYS 580 HD1 LYS 580 72.624 16.180 4.633 1072 HE2 LYS 580 HE2 LYS 580 71.957 14.761 2.606 1073 HE3 LYS 580 HE1 LYS 580 70.785 15.953 3.166 1074 HZ1 LYS 580 HZ1 LYS 580 70.950 17.084 1.274 1075 HZ2 LYS 580 HZ2 LYS 580 71.773 15.742 0.635 1076 HZ3 LYS 580 HZ3 LYS 580 72.645 17.045 1.289 1077 H GLN 581 HN GLN 581 71.011 16.504 5.326 1078 HA GLN 581 HA GLN 581 68.627 18.015 5.984 1079 HB2 GLN 581 HB2 GLN 581 69.305 19.007 3.809 1080 HB3 GLN 581 HB1 GLN 581 68.983 17.450 3.052 1081 HG2 GLN 581 HG2 GLN 581 66.984 18.718 2.792 1082 HG3 GLN 581 HG1 GLN 581 66.643 17.614 4.108 1083 HE21 GLN 581 HE21 GLN 581 66.954 18.566 6.379 1084 HE22 GLN 581 HE22 GLN 581 66.637 20.212 6.580 1085 H LEU 582 HN LEU 582 66.786 16.874 6.164 1086 HA LEU 582 HA LEU 582 66.667 14.094 5.126 1087 HB2 LEU 582 HB2 LEU 582 67.442 14.203 7.534 1088 HB3 LEU 582 HB1 LEU 582 65.855 14.833 7.936 1089 HG LEU 582 HG LEU 582 64.825 12.776 7.072 1090 HD11 LEU 582 HD11 LEU 582 66.076 11.770 5.431 1091 HD12 LEU 582 HD12 LEU 582 66.755 10.872 6.785 1092 HD13 LEU 582 HD13 LEU 582 67.610 12.272 6.134 1093 HD21 LEU 582 HD21 LEU 582 65.252 12.702 9.385 1094 HD22 LEU 582 HD22 LEU 582 66.987 12.594 9.162 1095 HD23 LEU 582 HD23 LEU 582 65.972 11.206 8.798 1096 H ASN 583 HN ASN 583 64.319 13.258 5.433 1097 HA ASN 583 HA ASN 583 62.286 15.428 5.482 1098 HB2 ASN 583 HB2 ASN 583 62.971 13.715 3.091 1099 HB3 ASN 583 HB1 ASN 583 61.323 14.294 3.312 1100 HD21 ASN 583 HD21 ASN 583 62.590 15.234 1.092 1101 HD22 ASN 583 HD22 ASN 583 63.063 16.846 1.298 1102 H LYS 584 HN LYS 584 60.359 14.712 6.303 1103 HA LYS 584 HA LYS 584 60.165 12.307 7.751 1104 HB2 LYS 584 HB2 LYS 584 57.681 12.785 7.665 1105 HB3 LYS 584 HB1 LYS 584 58.687 14.120 8.231 1106 HG2 LYS 584 HG2 LYS 584 58.466 15.331 6.233 1107 HG3 LYS 584 HG1 LYS 584 58.053 13.904 5.285 1108 HD2 LYS 584 HD2 LYS 584 56.013 15.060 5.488 1109 HD3 LYS 584 HD1 LYS 584 55.907 13.809 6.717 1110 HE2 LYS 584 HE2 LYS 584 55.195 15.823 7.774 1111 HE3 LYS 584 HE1 LYS 584 56.831 15.533 8.359 1112 HZ1 LYS 584 HZ1 LYS 584 57.700 17.157 6.958 1113 HZ2 LYS 584 HZ2 LYS 584 56.269 17.858 7.547 1114 HZ3 LYS 584 HZ3 LYS 584 56.315 17.204 5.980 1115 H GLY 585 HN GLY 585 59.689 12.914 4.388 1116 HA2 GLY 585 HA2 GLY 585 58.173 10.438 3.924 1117 HA3 GLY 585 HA1 GLY 585 58.684 11.595 2.699 1118 H THR 586 HN THR 586 61.399 11.473 4.111 1119 HA THR 586 HA THR 586 62.326 8.848 3.007 1120 HB THR 586 HB THR 586 64.016 9.859 1.755 1121 HG1 THR 586 HG1 THR 586 64.985 11.684 2.347 1122 HG21 THR 586 HG21 THR 586 61.709 10.515 0.957 1123 HG22 THR 586 HG22 THR 586 62.996 11.612 0.452 1124 HG23 THR 586 HG23 THR 586 61.931 12.054 1.789 1125 H PHE 587 HN PHE 587 61.794 10.000 5.784 1126 HA PHE 587 HA PHE 587 64.559 10.004 6.886 1127 HB2 PHE 587 HB2 PHE 587 63.660 11.313 8.487 1128 HB3 PHE 587 HB1 PHE 587 62.120 11.173 7.705 1129 HD1 PHE 587 HD1 PHE 587 60.363 9.774 8.600 1130 HD2 PHE 587 HD2 PHE 587 64.299 9.753 10.320 1131 HE1 PHE 587 HE1 PHE 587 59.507 8.494 10.544 1132 HE2 PHE 587 HE2 PHE 587 63.443 8.475 12.265 1133 HZ PHE 587 HZ PHE 587 61.047 7.844 12.376 1134 H LYS 588 HN LYS 588 65.455 8.160 7.191 1135 HA LYS 588 HA LYS 588 63.877 5.779 8.047 1136 HB2 LYS 588 HB2 LYS 588 65.752 6.150 5.972 1137 HB3 LYS 588 HB1 LYS 588 66.661 5.350 7.210 1138 HG2 LYS 588 HG2 LYS 588 65.587 3.819 5.528 1139 HG3 LYS 588 HG1 LYS 588 65.256 3.440 7.202 1140 HD2 LYS 588 HD2 LYS 588 63.328 3.337 5.435 1141 HD3 LYS 588 HD1 LYS 588 63.000 4.004 7.016 1142 HE2 LYS 588 HE2 LYS 588 62.697 6.133 6.173 1143 HE3 LYS 588 HE1 LYS 588 63.897 5.927 4.924 1144 HZ1 LYS 588 HZ1 LYS 588 61.185 5.755 4.633 1145 HZ2 LYS 588 HZ2 LYS 588 61.732 4.148 4.550 1146 HZ3 LYS 588 HZ3 LYS 588 62.357 5.318 3.488 1147 H GLU 589 HN GLU 589 65.099 4.386 9.666 1148 HA GLU 589 HA GLU 589 67.071 5.860 11.289 1149 HB2 GLU 589 HB2 GLU 589 65.194 6.777 12.341 1150 HB3 GLU 589 HB1 GLU 589 64.259 5.293 12.206 1151 HG2 GLU 589 HG2 GLU 589 65.525 4.241 13.943 1152 HG3 GLU 589 HG1 GLU 589 66.761 5.504 13.916 1153 H GLN 590 HN GLN 590 68.008 4.612 12.889 1154 HA GLN 590 HA GLN 590 67.446 1.798 13.224 1155 HB2 GLN 590 HB2 GLN 590 68.844 2.107 10.994 1156 HB3 GLN 590 HB1 GLN 590 70.183 2.405 12.084 1157 HG2 GLN 590 HG2 GLN 590 70.466 0.148 12.208 1158 HG3 GLN 590 HG1 GLN 590 68.980 0.088 13.141 1159 HE21 GLN 590 HE21 GLN 590 69.058 0.928 9.667 1160 HE22 GLN 590 HE22 GLN 590 68.341 -0.505 9.117 1161 H ASN 591 HN ASN 591 68.560 1.103 15.144 1162 HA ASN 591 HA ASN 591 69.379 1.544 17.286 1163 HB2 ASN 591 HB2 ASN 591 71.650 3.121 16.880 1164 HB3 ASN 591 HB1 ASN 591 71.614 1.371 16.855 1165 HD21 ASN 591 HD21 ASN 591 70.545 0.684 14.503 1166 HD22 ASN 591 HD22 ASN 591 71.367 1.374 13.191 1167 H ASP 592 HN ASP 592 67.517 3.572 15.989 1168 HA ASP 592 HA ASP 592 66.401 5.443 16.886 1169 HB2 ASP 592 HB2 ASP 592 68.698 6.020 18.737 1170 HB3 ASP 592 HB1 ASP 592 66.978 6.329 18.968 1171 H LYS 593 HN LYS 593 69.408 5.439 15.424 1172 HA LYS 593 HA LYS 593 69.788 8.343 15.408 1173 HB2 LYS 593 HB2 LYS 593 71.185 6.128 13.925 1174 HB3 LYS 593 HB1 LYS 593 71.727 7.796 14.037 1175 HG2 LYS 593 HG2 LYS 593 71.520 7.306 16.658 1176 HG3 LYS 593 HG1 LYS 593 71.737 5.642 16.123 1177 HD2 LYS 593 HD2 LYS 593 73.792 6.320 14.899 1178 HD3 LYS 593 HD1 LYS 593 73.591 7.961 15.512 1179 HE2 LYS 593 HE2 LYS 593 73.730 5.597 17.386 1180 HE3 LYS 593 HE1 LYS 593 75.195 6.390 16.801 1181 HZ1 LYS 593 HZ1 LYS 593 74.757 7.570 18.698 1182 HZ2 LYS 593 HZ2 LYS 593 73.070 7.449 18.534 1183 HZ3 LYS 593 HZ3 LYS 593 73.948 8.523 17.552 1184 HA PRO 594 HA PRO 594 66.893 8.550 11.826 1185 HB2 PRO 594 HB2 PRO 594 68.231 11.188 11.474 1186 HB3 PRO 594 HB1 PRO 594 66.513 10.811 11.572 1187 HG2 PRO 594 HG2 PRO 594 67.891 12.002 13.596 1188 HG3 PRO 594 HG1 PRO 594 66.490 10.957 13.877 1189 HD2 PRO 594 HD2 PRO 594 69.367 10.404 14.402 1190 HD3 PRO 594 HD1 PRO 594 67.924 9.647 15.120 1191 H TYR 595 HN TYR 595 67.196 8.778 9.445 1192 HA TYR 595 HA TYR 595 69.866 9.101 8.328 1193 HB2 TYR 595 HB2 TYR 595 68.693 6.308 8.356 1194 HB3 TYR 595 HB1 TYR 595 70.074 6.817 7.398 1195 HD1 TYR 595 HD1 TYR 595 69.099 5.271 10.399 1196 HD2 TYR 595 HD2 TYR 595 72.048 7.938 8.786 1197 HE1 TYR 595 HE1 TYR 595 70.641 4.663 12.225 1198 HE2 TYR 595 HE2 TYR 595 73.596 7.316 10.624 1199 HH TYR 595 HH TYR 595 73.881 6.131 12.464 1200 H CYS 596 HN CYS 596 69.699 9.390 6.070 1201 HA CYS 596 HA CYS 596 67.022 9.486 4.906 1202 HB2 CYS 596 HB2 CYS 596 69.561 9.265 3.272 1203 HB3 CYS 596 HB1 CYS 596 68.074 10.115 2.878 1204 H GLN 597 HN GLN 597 66.280 7.847 3.285 1205 HA GLN 597 HA GLN 597 66.873 5.199 4.150 1206 HB2 GLN 597 HB2 GLN 597 64.843 5.266 3.011 1207 HB3 GLN 597 HB1 GLN 597 65.423 6.426 1.852 1208 HG2 GLN 597 HG2 GLN 597 65.206 4.518 0.528 1209 HG3 GLN 597 HG1 GLN 597 66.887 4.412 0.998 1210 HE21 GLN 597 HE21 GLN 597 66.087 3.695 3.823 1211 HE22 GLN 597 HE22 GLN 597 65.611 2.084 3.746 1212 H ASN 598 HN ASN 598 67.839 6.885 1.175 1213 HA ASN 598 HA ASN 598 69.690 5.066 0.167 1214 HB2 ASN 598 HB2 ASN 598 70.353 7.997 0.170 1215 HB3 ASN 598 HB1 ASN 598 70.488 6.826 -1.138 1216 HD21 ASN 598 HD21 ASN 598 68.031 5.708 -1.299 1217 HD22 ASN 598 HD22 ASN 598 66.847 6.874 -1.619 1218 H CYS 599 HN CYS 599 69.980 7.070 3.005 1219 HA CYS 599 HA CYS 599 72.863 6.832 3.177 1220 HB2 CYS 599 HB2 CYS 599 70.706 8.013 4.851 1221 HB3 CYS 599 HB1 CYS 599 72.166 7.536 5.704 1222 H PHE 600 HN PHE 600 70.345 5.517 5.426 1223 HA PHE 600 HA PHE 600 72.276 3.647 6.456 1224 HB2 PHE 600 HB2 PHE 600 69.954 4.545 7.478 1225 HB3 PHE 600 HB1 PHE 600 69.381 3.009 6.844 1226 HD1 PHE 600 HD1 PHE 600 71.944 4.580 9.041 1227 HD2 PHE 600 HD2 PHE 600 69.964 0.955 7.903 1228 HE1 PHE 600 HE1 PHE 600 72.994 3.416 10.952 1229 HE2 PHE 600 HE2 PHE 600 71.033 -0.222 9.816 1230 HZ PHE 600 HZ PHE 600 72.544 1.011 11.340 1231 H LEU 601 HN LEU 601 69.641 3.251 4.047 1232 HA LEU 601 HA LEU 601 69.796 0.445 3.839 1233 HB2 LEU 601 HB2 LEU 601 68.296 0.819 2.167 1234 HB3 LEU 601 HB1 LEU 601 68.582 2.533 2.346 1235 HG LEU 601 HG LEU 601 70.468 2.339 0.701 1236 HD11 LEU 601 HD11 LEU 601 71.263 0.279 0.209 1237 HD12 LEU 601 HD12 LEU 601 69.764 -0.069 -0.645 1238 HD13 LEU 601 HD13 LEU 601 69.930 -0.502 1.055 1239 HD21 LEU 601 HD21 LEU 601 68.876 1.838 -1.273 1240 HD22 LEU 601 HD22 LEU 601 68.430 3.146 -0.182 1241 HD23 LEU 601 HD23 LEU 601 67.643 1.576 -0.040 1242 H LYS 602 HN LYS 602 71.823 2.949 2.383 1243 HA LYS 602 HA LYS 602 73.526 1.297 0.853 1244 HB2 LYS 602 HB2 LYS 602 73.664 3.723 0.732 1245 HB3 LYS 602 HB1 LYS 602 74.154 3.810 2.420 1246 HG2 LYS 602 HG2 LYS 602 76.068 4.042 0.909 1247 HG3 LYS 602 HG1 LYS 602 76.213 2.583 1.882 1248 HD2 LYS 602 HD2 LYS 602 75.721 1.169 0.080 1249 HD3 LYS 602 HD1 LYS 602 74.908 2.445 -0.829 1250 HE2 LYS 602 HE2 LYS 602 77.881 2.401 -0.241 1251 HE3 LYS 602 HE1 LYS 602 77.152 1.857 -1.746 1252 HZ1 LYS 602 HZ1 LYS 602 77.908 4.146 -1.905 1253 HZ2 LYS 602 HZ2 LYS 602 76.902 4.584 -0.607 1254 HZ3 LYS 602 HZ3 LYS 602 76.223 4.052 -2.071 1255 H LEU 603 HN LEU 603 73.225 1.716 4.289 1256 HA LEU 603 HA LEU 603 75.774 0.296 4.817 1257 HB2 LEU 603 HB2 LEU 603 73.814 1.241 6.894 1258 HB3 LEU 603 HB1 LEU 603 75.559 1.020 7.045 1259 HG LEU 603 HG LEU 603 74.171 3.103 5.349 1260 HD11 LEU 603 HD11 LEU 603 75.976 3.541 7.720 1261 HD12 LEU 603 HD12 LEU 603 74.226 3.393 7.892 1262 HD13 LEU 603 HD13 LEU 603 74.911 4.705 6.933 1263 HD21 LEU 603 HD21 LEU 603 76.170 2.516 4.217 1264 HD22 LEU 603 HD22 LEU 603 77.066 2.373 5.724 1265 HD23 LEU 603 HD23 LEU 603 76.571 3.960 5.143 1266 H PHE 604 HN PHE 604 72.362 -0.111 5.928 1267 HA PHE 604 HA PHE 604 72.983 -2.998 6.395 1268 HB2 PHE 604 HB2 PHE 604 70.903 -1.109 7.517 1269 HB3 PHE 604 HB1 PHE 604 70.582 -2.839 7.507 1270 HD1 PHE 604 HD1 PHE 604 73.371 -0.456 8.406 1271 HD2 PHE 604 HD2 PHE 604 71.306 -4.119 9.321 1272 HE1 PHE 604 HE1 PHE 604 74.800 -0.768 10.403 1273 HE2 PHE 604 HE2 PHE 604 72.738 -4.420 11.320 1274 HZ PHE 604 HZ PHE 604 74.483 -2.747 11.861 1275 H CYS 605 HN CYS 605 72.551 -1.953 3.678 1276 HA CYS 605 HA CYS 605 70.043 -2.301 2.549 1277 HB2 CYS 605 HB2 CYS 605 71.851 -1.811 1.065 1278 HB3 CYS 605 HB1 CYS 605 72.745 -3.245 1.563 1279 HG CYS 605 HG CYS 605 71.560 -3.787 -0.713 Start of MODEL 9 1 H MET 1 HT1 MET 1 96.509 -20.819 6.554 2 HA MET 1 HA MET 1 94.015 -21.376 7.328 3 HB2 MET 1 HB2 MET 1 95.842 -22.897 6.471 4 HB3 MET 1 HB1 MET 1 96.456 -22.993 8.119 5 HG2 MET 1 HG2 MET 1 94.049 -23.698 8.766 6 HG3 MET 1 HG1 MET 1 93.811 -23.971 7.042 7 HE1 MET 1 HE1 MET 1 94.135 -26.044 5.989 8 HE2 MET 1 HE2 MET 1 95.589 -27.031 6.117 9 HE3 MET 1 HE3 MET 1 95.716 -25.349 5.607 10 H ALA 2 HN ALA 2 95.797 -22.939 9.747 11 HA ALA 2 HA ALA 2 95.082 -20.995 11.873 12 HB1 ALA 2 HB1 ALA 2 94.129 -23.866 11.975 13 HB2 ALA 2 HB2 ALA 2 93.099 -22.538 11.441 14 HB3 ALA 2 HB3 ALA 2 93.725 -22.559 13.089 15 H LEU 3 HN LEU 3 96.123 -24.352 11.348 16 HA LEU 3 HA LEU 3 97.681 -24.846 13.567 17 HB2 LEU 3 HB2 LEU 3 98.152 -25.479 10.654 18 HB3 LEU 3 HB1 LEU 3 99.211 -26.107 11.915 19 HG LEU 3 HG LEU 3 96.203 -26.484 11.888 20 HD11 LEU 3 HD11 LEU 3 96.878 -28.882 11.259 21 HD12 LEU 3 HD12 LEU 3 98.448 -28.204 10.825 22 HD13 LEU 3 HD13 LEU 3 96.992 -27.667 9.986 23 HD21 LEU 3 HD21 LEU 3 96.800 -26.893 14.089 24 HD22 LEU 3 HD22 LEU 3 98.446 -27.370 13.679 25 HD23 LEU 3 HD23 LEU 3 97.111 -28.490 13.418 26 H ASP 4 HN ASP 4 99.342 -24.063 10.624 27 HA ASP 4 HA ASP 4 101.192 -22.794 10.145 28 HB2 ASP 4 HB2 ASP 4 99.865 -20.867 10.616 29 HB3 ASP 4 HB1 ASP 4 99.996 -21.125 12.348 30 H GLY 5 HN GLY 5 100.812 -24.434 13.000 31 HA2 GLY 5 HA2 GLY 5 102.832 -25.690 13.765 32 HA3 GLY 5 HA1 GLY 5 103.714 -24.170 13.645 33 H ILE 6 HN ILE 6 101.002 -23.039 14.590 34 HA ILE 6 HA ILE 6 101.519 -23.399 17.524 35 HB ILE 6 HB ILE 6 100.229 -20.961 17.311 36 HG12 ILE 6 HG12 ILE 6 100.472 -21.325 14.743 37 HG13 ILE 6 HG11 ILE 6 100.932 -19.774 15.405 38 HG21 ILE 6 HG21 ILE 6 102.577 -19.981 17.430 39 HG22 ILE 6 HG22 ILE 6 103.155 -21.643 17.311 40 HG23 ILE 6 HG23 ILE 6 102.138 -21.158 18.668 41 HD11 ILE 6 HD11 ILE 6 103.137 -20.058 14.896 42 HD12 ILE 6 HD12 ILE 6 102.517 -21.238 13.746 43 HD13 ILE 6 HD13 ILE 6 103.127 -21.772 15.305 44 H ARG 7 HN ARG 7 98.742 -21.536 16.668 45 HA ARG 7 HA ARG 7 96.934 -23.838 16.637 46 HB2 ARG 7 HB2 ARG 7 95.690 -22.878 18.650 47 HB3 ARG 7 HB1 ARG 7 97.193 -23.722 18.972 48 HG2 ARG 7 HG2 ARG 7 97.464 -20.788 18.509 49 HG3 ARG 7 HG1 ARG 7 96.621 -21.257 19.982 50 HD2 ARG 7 HD2 ARG 7 98.536 -22.702 20.602 51 HD3 ARG 7 HD1 ARG 7 99.378 -22.168 19.154 52 HE ARG 7 HE ARG 7 99.835 -20.112 20.226 53 HH11 ARG 7 HH11 ARG 7 99.792 -18.750 22.028 54 HH12 ARG 7 HH12 ARG 7 98.708 -19.097 23.334 55 HH21 ARG 7 HH21 ARG 7 97.396 -21.937 21.839 56 HH22 ARG 7 HH22 ARG 7 97.351 -20.901 23.226 57 H MET 8 HN MET 8 95.806 -20.793 17.930 58 HA MET 8 HA MET 8 94.985 -19.888 15.223 59 HB2 MET 8 HB2 MET 8 92.666 -19.566 16.893 60 HB3 MET 8 HB1 MET 8 92.836 -20.537 15.445 61 HG2 MET 8 HG2 MET 8 93.681 -22.423 16.714 62 HG3 MET 8 HG1 MET 8 93.667 -21.505 18.206 63 HE1 MET 8 HE1 MET 8 91.092 -19.985 18.580 64 HE2 MET 8 HE2 MET 8 91.879 -21.132 19.662 65 HE3 MET 8 HE3 MET 8 90.151 -21.270 19.349 66 HA PRO 9 HA PRO 9 94.277 -16.132 18.358 67 HB2 PRO 9 HB2 PRO 9 96.127 -17.313 20.424 68 HB3 PRO 9 HB1 PRO 9 94.831 -16.114 20.642 69 HG2 PRO 9 HG2 PRO 9 94.396 -18.616 21.290 70 HG3 PRO 9 HG1 PRO 9 93.165 -17.700 20.395 71 HD2 PRO 9 HD2 PRO 9 94.998 -19.833 19.380 72 HD3 PRO 9 HD1 PRO 9 93.347 -19.449 18.921 73 H ASP 10 HN ASP 10 97.085 -18.161 18.184 74 HA ASP 10 HA ASP 10 98.788 -15.855 17.282 75 HB2 ASP 10 HB2 ASP 10 99.463 -17.256 19.359 76 HB3 ASP 10 HB1 ASP 10 99.821 -18.543 18.209 77 H GLY 11 HN GLY 11 97.432 -18.939 16.555 78 HA2 GLY 11 HA2 GLY 11 99.045 -19.314 14.116 79 HA3 GLY 11 HA1 GLY 11 97.781 -20.385 14.709 80 H CYS 12 HN CYS 12 96.732 -17.187 14.805 81 HA CYS 12 HA CYS 12 95.776 -17.071 12.029 82 HB2 CYS 12 HB2 CYS 12 94.171 -18.616 13.100 83 HB3 CYS 12 HB1 CYS 12 93.827 -17.394 14.324 84 HG CYS 12 HG CYS 12 93.184 -16.958 11.289 85 H TYR 13 HN TYR 13 94.540 -15.718 15.119 86 HA TYR 13 HA TYR 13 95.685 -13.089 14.525 87 HB2 TYR 13 HB2 TYR 13 92.790 -13.734 13.980 88 HB3 TYR 13 HB1 TYR 13 93.215 -12.110 14.520 89 HD1 TYR 13 HD1 TYR 13 92.785 -14.142 11.673 90 HD2 TYR 13 HD2 TYR 13 95.348 -11.077 13.255 91 HE1 TYR 13 HE1 TYR 13 93.504 -13.556 9.374 92 HE2 TYR 13 HE2 TYR 13 96.066 -10.493 10.955 93 HH TYR 13 HH TYR 13 94.461 -11.346 8.257 94 H ALA 14 HN ALA 14 92.584 -13.615 16.063 95 HA ALA 14 HA ALA 14 93.506 -13.999 18.752 96 HB1 ALA 14 HB1 ALA 14 94.336 -11.684 18.470 97 HB2 ALA 14 HB2 ALA 14 93.013 -11.742 19.634 98 HB3 ALA 14 HB3 ALA 14 92.719 -11.169 17.992 99 H ASP 15 HN ASP 15 91.131 -12.696 16.561 100 HA ASP 15 HA ASP 15 89.029 -14.289 17.864 101 HB2 ASP 15 HB2 ASP 15 89.074 -12.003 18.987 102 HB3 ASP 15 HB1 ASP 15 88.642 -11.322 17.417 103 H GLY 16 HN GLY 16 90.613 -13.454 15.210 104 HA2 GLY 16 HA2 GLY 16 90.112 -13.887 12.938 105 HA3 GLY 16 HA1 GLY 16 88.438 -14.194 13.404 106 H THR 17 HN THR 17 89.609 -11.338 14.748 107 HA THR 17 HA THR 17 88.064 -9.760 12.736 108 HB THR 17 HB THR 17 87.481 -9.745 15.247 109 HG1 THR 17 HG1 THR 17 86.549 -8.199 14.110 110 HG21 THR 17 HG21 THR 17 89.720 -7.739 15.425 111 HG22 THR 17 HG22 THR 17 89.979 -9.431 15.853 112 HG23 THR 17 HG23 THR 17 88.790 -8.470 16.733 113 H TRP 18 HN TRP 18 89.179 -8.589 11.357 114 HA TRP 18 HA TRP 18 91.928 -7.646 12.084 115 HB2 TRP 18 HB2 TRP 18 92.148 -7.597 9.473 116 HB3 TRP 18 HB1 TRP 18 92.379 -9.110 10.326 117 HD1 TRP 18 HD1 TRP 18 89.856 -10.570 10.539 118 HE1 TRP 18 HE1 TRP 18 88.257 -11.026 8.535 119 HE3 TRP 18 HE3 TRP 18 91.283 -6.865 7.355 120 HZ2 TRP 18 HZ2 TRP 18 87.726 -9.998 5.976 121 HZ3 TRP 18 HZ3 TRP 18 90.215 -6.659 5.144 122 HH2 TRP 18 HH2 TRP 18 88.429 -8.191 4.456 123 H GLU 19 HN GLU 19 92.143 -5.482 12.098 124 HA GLU 19 HA GLU 19 89.862 -3.825 11.363 125 HB2 GLU 19 HB2 GLU 19 91.896 -2.024 11.936 126 HB3 GLU 19 HB1 GLU 19 90.775 -2.684 13.119 127 HG2 GLU 19 HG2 GLU 19 93.173 -2.937 13.773 128 HG3 GLU 19 HG1 GLU 19 92.299 -4.466 13.660 129 H LEU 20 HN LEU 20 89.632 -2.558 9.573 130 HA LEU 20 HA LEU 20 91.584 -2.952 7.413 131 HB2 LEU 20 HB2 LEU 20 88.798 -2.490 7.514 132 HB3 LEU 20 HB1 LEU 20 89.444 -0.997 6.864 133 HG LEU 20 HG LEU 20 88.998 -2.326 4.968 134 HD11 LEU 20 HD11 LEU 20 91.865 -3.163 5.234 135 HD12 LEU 20 HD12 LEU 20 91.490 -1.439 5.270 136 HD13 LEU 20 HD13 LEU 20 91.023 -2.426 3.882 137 HD21 LEU 20 HD21 LEU 20 88.783 -4.456 6.377 138 HD22 LEU 20 HD22 LEU 20 90.522 -4.647 6.125 139 HD23 LEU 20 HD23 LEU 20 89.420 -4.621 4.744 140 H SER 21 HN SER 21 93.111 -1.378 6.866 141 HA SER 21 HA SER 21 93.338 0.930 8.654 142 HB2 SER 21 HB2 SER 21 95.217 -0.490 7.375 143 HB3 SER 21 HB1 SER 21 94.950 0.741 6.145 144 HG SER 21 HG SER 21 96.351 0.931 8.379 145 H VAL 22 HN VAL 22 92.993 3.092 8.072 146 HA VAL 22 HA VAL 22 91.878 3.600 5.369 147 HB VAL 22 HB VAL 22 90.444 4.074 7.980 148 HG11 VAL 22 HG11 VAL 22 88.804 5.408 6.579 149 HG12 VAL 22 HG12 VAL 22 90.045 5.497 5.328 150 HG13 VAL 22 HG13 VAL 22 90.322 6.236 6.910 151 HG21 VAL 22 HG21 VAL 22 89.635 2.960 5.281 152 HG22 VAL 22 HG22 VAL 22 88.583 3.079 6.694 153 HG23 VAL 22 HG23 VAL 22 89.985 2.004 6.728 154 H HIS 23 HN HIS 23 93.044 5.164 4.542 155 HA HIS 23 HA HIS 23 94.377 7.161 6.267 156 HB2 HIS 23 HB2 HIS 23 94.466 6.379 3.358 157 HB3 HIS 23 HB1 HIS 23 95.137 7.929 3.867 158 HD1 HIS 23 HD1 HIS 23 97.405 7.900 5.001 159 HD2 HIS 23 HD2 HIS 23 95.784 4.078 4.610 160 HE1 HIS 23 HE1 HIS 23 99.224 6.276 5.687 161 H VAL 24 HN VAL 24 92.854 8.673 6.956 162 HA VAL 24 HA VAL 24 90.641 9.472 5.283 163 HB VAL 24 HB VAL 24 91.644 11.278 7.476 164 HG11 VAL 24 HG11 VAL 24 89.462 11.593 6.201 165 HG12 VAL 24 HG12 VAL 24 89.289 11.490 7.956 166 HG13 VAL 24 HG13 VAL 24 88.907 10.097 6.952 167 HG21 VAL 24 HG21 VAL 24 92.086 9.158 8.508 168 HG22 VAL 24 HG22 VAL 24 90.610 8.453 7.845 169 HG23 VAL 24 HG23 VAL 24 90.514 9.671 9.119 170 H THR 25 HN THR 25 91.078 10.467 3.369 171 HA THR 25 HA THR 25 93.488 12.029 2.969 172 HB THR 25 HB THR 25 92.858 12.129 0.723 173 HG1 THR 25 HG1 THR 25 90.916 12.670 0.147 174 HG21 THR 25 HG21 THR 25 91.180 9.809 1.688 175 HG22 THR 25 HG22 THR 25 92.941 9.761 1.625 176 HG23 THR 25 HG23 THR 25 92.009 9.956 0.138 177 H ASP 26 HN ASP 26 90.020 12.955 2.864 178 HA ASP 26 HA ASP 26 90.470 15.748 2.656 179 HB2 ASP 26 HB2 ASP 26 88.259 14.716 2.311 180 HB3 ASP 26 HB1 ASP 26 88.181 14.303 4.025 181 H LEU 27 HN LEU 27 91.531 13.807 5.090 182 HA LEU 27 HA LEU 27 91.563 16.065 7.050 183 HB2 LEU 27 HB2 LEU 27 90.447 13.362 7.325 184 HB3 LEU 27 HB1 LEU 27 91.540 13.766 8.634 185 HG LEU 27 HG LEU 27 89.368 15.685 7.772 186 HD11 LEU 27 HD11 LEU 27 88.133 13.691 8.240 187 HD12 LEU 27 HD12 LEU 27 88.035 14.678 9.699 188 HD13 LEU 27 HD13 LEU 27 89.148 13.308 9.631 189 HD21 LEU 27 HD21 LEU 27 89.715 16.666 9.899 190 HD22 LEU 27 HD22 LEU 27 91.345 16.252 9.362 191 HD23 LEU 27 HD23 LEU 27 90.515 15.226 10.531 192 H ASN 28 HN ASN 28 93.122 13.334 5.579 193 HA ASN 28 HA ASN 28 95.401 12.831 5.391 194 HB2 ASN 28 HB2 ASN 28 95.668 15.394 5.725 195 HB3 ASN 28 HB1 ASN 28 96.091 14.994 7.384 196 HD21 ASN 28 HD21 ASN 28 97.181 12.335 6.278 197 HD22 ASN 28 HD22 ASN 28 98.722 12.743 5.706 198 H ARG 29 HN ARG 29 93.467 12.159 7.805 199 HA ARG 29 HA ARG 29 95.499 11.384 9.796 200 HB2 ARG 29 HB2 ARG 29 92.492 11.108 9.741 201 HB3 ARG 29 HB1 ARG 29 93.521 10.595 11.080 202 HG2 ARG 29 HG2 ARG 29 94.326 12.875 11.377 203 HG3 ARG 29 HG1 ARG 29 93.388 13.413 9.992 204 HD2 ARG 29 HD2 ARG 29 92.011 13.965 11.831 205 HD3 ARG 29 HD1 ARG 29 91.346 12.437 11.248 206 HE ARG 29 HE ARG 29 93.369 12.006 13.276 207 HH11 ARG 29 HH11 ARG 29 92.629 11.268 15.280 208 HH12 ARG 29 HH12 ARG 29 90.951 11.424 15.681 209 HH21 ARG 29 HH21 ARG 29 90.099 12.916 12.669 210 HH22 ARG 29 HH22 ARG 29 89.519 12.358 14.203 211 H ASP 30 HN ASP 30 94.814 9.116 10.747 212 HA ASP 30 HA ASP 30 94.366 7.146 8.575 213 HB2 ASP 30 HB2 ASP 30 96.665 7.154 10.548 214 HB3 ASP 30 HB1 ASP 30 96.171 5.726 9.636 215 H VAL 31 HN VAL 31 92.691 5.949 9.216 216 HA VAL 31 HA VAL 31 92.341 5.424 12.154 217 HB VAL 31 HB VAL 31 90.144 5.686 10.085 218 HG11 VAL 31 HG11 VAL 31 88.784 5.914 12.219 219 HG12 VAL 31 HG12 VAL 31 90.225 5.418 13.101 220 HG13 VAL 31 HG13 VAL 31 89.480 4.317 11.943 221 HG21 VAL 31 HG21 VAL 31 89.696 7.886 11.156 222 HG22 VAL 31 HG22 VAL 31 91.294 7.856 10.410 223 HG23 VAL 31 HG23 VAL 31 91.133 7.685 12.158 224 H THR 32 HN THR 32 91.315 3.426 12.674 225 HA THR 32 HA THR 32 91.423 1.328 10.549 226 HB THR 32 HB THR 32 92.210 0.139 13.037 227 HG1 THR 32 HG1 THR 32 94.097 2.079 12.506 228 HG21 THR 32 HG21 THR 32 92.929 -0.393 10.615 229 HG22 THR 32 HG22 THR 32 94.157 -0.531 11.871 230 HG23 THR 32 HG23 THR 32 94.123 0.890 10.828 231 H LEU 33 HN LEU 33 89.649 0.012 10.604 232 HA LEU 33 HA LEU 33 87.748 0.300 12.903 233 HB2 LEU 33 HB2 LEU 33 87.426 0.097 9.933 234 HB3 LEU 33 HB1 LEU 33 86.152 -0.561 10.941 235 HG LEU 33 HG LEU 33 85.828 1.849 10.229 236 HD11 LEU 33 HD11 LEU 33 86.038 1.826 13.228 237 HD12 LEU 33 HD12 LEU 33 84.958 0.671 12.445 238 HD13 LEU 33 HD13 LEU 33 84.734 2.398 12.191 239 HD21 LEU 33 HD21 LEU 33 87.902 2.522 12.306 240 HD22 LEU 33 HD22 LEU 33 87.199 3.558 11.081 241 HD23 LEU 33 HD23 LEU 33 88.358 2.316 10.618 242 H ARG 34 HN ARG 34 87.860 -1.491 14.136 243 HA ARG 34 HA ARG 34 88.873 -4.017 13.411 244 HB2 ARG 34 HB2 ARG 34 88.116 -2.893 15.755 245 HB3 ARG 34 HB1 ARG 34 86.686 -3.839 15.445 246 HG2 ARG 34 HG2 ARG 34 88.188 -5.169 16.757 247 HG3 ARG 34 HG1 ARG 34 88.071 -5.849 15.132 248 HD2 ARG 34 HD2 ARG 34 90.423 -5.245 16.398 249 HD3 ARG 34 HD1 ARG 34 90.245 -5.441 14.674 250 HE ARG 34 HE ARG 34 89.703 -2.819 14.906 251 HH11 ARG 34 HH11 ARG 34 91.157 -1.116 15.146 252 HH12 ARG 34 HH12 ARG 34 92.695 -1.401 15.889 253 HH21 ARG 34 HH21 ARG 34 92.123 -4.775 16.422 254 HH22 ARG 34 HH22 ARG 34 93.238 -3.465 16.611 255 H VAL 35 HN VAL 35 88.010 -5.264 11.820 256 HA VAL 35 HA VAL 35 85.053 -5.685 11.776 257 HB VAL 35 HB VAL 35 85.178 -5.597 9.257 258 HG11 VAL 35 HG11 VAL 35 84.215 -3.742 10.524 259 HG12 VAL 35 HG12 VAL 35 85.169 -3.096 9.189 260 HG13 VAL 35 HG13 VAL 35 85.823 -3.081 10.829 261 HG21 VAL 35 HG21 VAL 35 87.076 -4.291 8.310 262 HG22 VAL 35 HG22 VAL 35 87.592 -5.831 8.995 263 HG23 VAL 35 HG23 VAL 35 87.862 -4.336 9.886 264 H THR 36 HN THR 36 84.816 -7.329 9.700 265 HA THR 36 HA THR 36 86.830 -9.492 9.899 266 HB THR 36 HB THR 36 84.842 -11.110 10.130 267 HG1 THR 36 HG1 THR 36 83.373 -9.232 9.755 268 HG21 THR 36 HG21 THR 36 86.212 -11.003 12.028 269 HG22 THR 36 HG22 THR 36 84.623 -10.590 12.663 270 HG23 THR 36 HG23 THR 36 85.800 -9.320 12.350 271 H GLY 37 HN GLY 37 86.015 -11.244 8.195 272 HA2 GLY 37 HA2 GLY 37 85.498 -9.759 5.734 273 HA3 GLY 37 HA1 GLY 37 85.857 -11.480 5.852 274 H GLU 38 HN GLU 38 83.386 -9.555 7.459 275 HA GLU 38 HA GLU 38 81.258 -10.836 5.841 276 HB2 GLU 38 HB2 GLU 38 79.991 -11.366 7.961 277 HB3 GLU 38 HB1 GLU 38 81.410 -12.373 7.681 278 HG2 GLU 38 HG2 GLU 38 82.676 -11.283 9.323 279 HG3 GLU 38 HG1 GLU 38 81.639 -9.857 9.320 280 H VAL 39 HN VAL 39 82.600 -8.084 6.997 281 HA VAL 39 HA VAL 39 80.081 -6.768 7.788 282 HB VAL 39 HB VAL 39 81.377 -4.928 8.442 283 HG11 VAL 39 HG11 VAL 39 81.745 -7.113 9.682 284 HG12 VAL 39 HG12 VAL 39 82.981 -5.879 9.912 285 HG13 VAL 39 HG13 VAL 39 83.276 -7.233 8.817 286 HG21 VAL 39 HG21 VAL 39 83.767 -4.636 7.774 287 HG22 VAL 39 HG22 VAL 39 82.678 -4.539 6.404 288 HG23 VAL 39 HG23 VAL 39 83.605 -6.017 6.694 289 H HIS 40 HN HIS 40 78.932 -5.405 6.471 290 HA HIS 40 HA HIS 40 79.550 -5.460 3.619 291 HB2 HIS 40 HB2 HIS 40 77.516 -3.548 4.734 292 HB3 HIS 40 HB1 HIS 40 77.430 -4.573 3.300 293 HD1 HIS 40 HD1 HIS 40 78.010 -7.321 4.504 294 HD2 HIS 40 HD2 HIS 40 75.450 -4.555 6.286 295 HE1 HIS 40 HE1 HIS 40 76.464 -8.644 6.013 296 H ILE 41 HN ILE 41 80.411 -3.738 2.389 297 HA ILE 41 HA ILE 41 82.307 -2.026 3.495 298 HB ILE 41 HB ILE 41 80.580 -1.224 1.146 299 HG12 ILE 41 HG12 ILE 41 82.995 -3.072 1.186 300 HG13 ILE 41 HG11 ILE 41 81.330 -3.563 0.871 301 HG21 ILE 41 HG21 ILE 41 82.210 0.434 2.043 302 HG22 ILE 41 HG22 ILE 41 82.613 -0.093 0.410 303 HG23 ILE 41 HG23 ILE 41 83.503 -0.738 1.788 304 HD11 ILE 41 HD11 ILE 41 81.501 -1.618 -0.972 305 HD12 ILE 41 HD12 ILE 41 82.030 -3.268 -1.301 306 HD13 ILE 41 HD13 ILE 41 83.214 -2.040 -0.870 307 H GLY 42 HN GLY 42 79.014 -1.023 2.562 308 HA2 GLY 42 HA2 GLY 42 79.081 1.558 3.675 309 HA3 GLY 42 HA1 GLY 42 77.611 0.611 3.495 310 H GLY 43 HN GLY 43 79.233 -1.460 5.156 311 HA2 GLY 43 HA2 GLY 43 78.020 -0.767 7.708 312 HA3 GLY 43 HA1 GLY 43 79.064 -2.158 7.394 313 H VAL 44 HN VAL 44 81.136 -0.447 6.215 314 HA VAL 44 HA VAL 44 82.529 0.314 8.693 315 HB VAL 44 HB VAL 44 83.257 0.026 5.773 316 HG11 VAL 44 HG11 VAL 44 84.380 2.080 6.281 317 HG12 VAL 44 HG12 VAL 44 85.595 0.817 6.477 318 HG13 VAL 44 HG13 VAL 44 84.821 1.523 7.896 319 HG21 VAL 44 HG21 VAL 44 84.645 -1.003 8.259 320 HG22 VAL 44 HG22 VAL 44 84.826 -1.579 6.602 321 HG23 VAL 44 HG23 VAL 44 83.322 -1.869 7.476 322 H MET 45 HN MET 45 81.180 1.832 5.789 323 HA MET 45 HA MET 45 82.023 4.480 6.030 324 HB2 MET 45 HB2 MET 45 79.389 3.236 5.271 325 HB3 MET 45 HB1 MET 45 79.519 4.989 5.321 326 HG2 MET 45 HG2 MET 45 81.666 4.532 3.805 327 HG3 MET 45 HG1 MET 45 80.802 3.050 3.423 328 HE1 MET 45 HE1 MET 45 78.351 3.044 2.014 329 HE2 MET 45 HE2 MET 45 77.323 4.460 2.240 330 HE3 MET 45 HE3 MET 45 77.935 3.609 3.637 331 H LEU 46 HN LEU 46 79.508 2.792 7.868 332 HA LEU 46 HA LEU 46 78.798 5.190 9.364 333 HB2 LEU 46 HB2 LEU 46 77.587 2.723 8.858 334 HB3 LEU 46 HB1 LEU 46 77.963 2.631 10.576 335 HG LEU 46 HG LEU 46 76.534 5.000 9.313 336 HD11 LEU 46 HD11 LEU 46 75.165 2.925 11.009 337 HD12 LEU 46 HD12 LEU 46 75.308 2.696 9.268 338 HD13 LEU 46 HD13 LEU 46 74.461 4.107 9.902 339 HD21 LEU 46 HD21 LEU 46 77.099 4.117 12.151 340 HD22 LEU 46 HD22 LEU 46 75.884 5.331 11.761 341 HD23 LEU 46 HD23 LEU 46 77.578 5.623 11.369 342 H LYS 47 HN LYS 47 80.335 2.093 10.425 343 HA LYS 47 HA LYS 47 80.969 2.854 13.029 344 HB2 LYS 47 HB2 LYS 47 82.881 1.362 11.217 345 HB3 LYS 47 HB1 LYS 47 82.818 1.303 12.978 346 HG2 LYS 47 HG2 LYS 47 80.746 0.145 12.977 347 HG3 LYS 47 HG1 LYS 47 80.467 0.503 11.275 348 HD2 LYS 47 HD2 LYS 47 82.147 -1.014 10.560 349 HD3 LYS 47 HD1 LYS 47 82.860 -1.110 12.168 350 HE2 LYS 47 HE2 LYS 47 80.113 -2.146 11.409 351 HE3 LYS 47 HE1 LYS 47 81.556 -3.140 11.628 352 HZ1 LYS 47 HZ1 LYS 47 81.637 -1.962 13.917 353 HZ2 LYS 47 HZ2 LYS 47 80.571 -3.265 13.682 354 HZ3 LYS 47 HZ3 LYS 47 79.990 -1.669 13.638 355 H LEU 48 HN LEU 48 83.202 3.251 10.253 356 HA LEU 48 HA LEU 48 85.207 4.707 11.478 357 HB2 LEU 48 HB2 LEU 48 85.422 4.060 9.168 358 HB3 LEU 48 HB1 LEU 48 84.014 5.005 8.709 359 HG LEU 48 HG LEU 48 85.301 7.095 9.331 360 HD11 LEU 48 HD11 LEU 48 87.612 5.157 9.500 361 HD12 LEU 48 HD12 LEU 48 86.928 6.047 10.859 362 HD13 LEU 48 HD13 LEU 48 87.731 6.913 9.552 363 HD21 LEU 48 HD21 LEU 48 86.720 7.036 7.334 364 HD22 LEU 48 HD22 LEU 48 85.161 6.273 7.010 365 HD23 LEU 48 HD23 LEU 48 86.591 5.278 7.290 366 H VAL 49 HN VAL 49 82.063 5.926 10.383 367 HA VAL 49 HA VAL 49 82.701 8.686 11.102 368 HB VAL 49 HB VAL 49 80.078 7.319 10.459 369 HG11 VAL 49 HG11 VAL 49 80.758 10.231 10.915 370 HG12 VAL 49 HG12 VAL 49 79.578 9.257 11.794 371 HG13 VAL 49 HG13 VAL 49 79.284 9.691 10.113 372 HG21 VAL 49 HG21 VAL 49 80.332 8.229 8.270 373 HG22 VAL 49 HG22 VAL 49 81.909 7.546 8.668 374 HG23 VAL 49 HG23 VAL 49 81.647 9.286 8.783 375 H GLU 50 HN GLU 50 80.823 6.025 12.550 376 HA GLU 50 HA GLU 50 79.661 7.283 14.740 377 HB2 GLU 50 HB2 GLU 50 81.021 4.589 14.567 378 HB3 GLU 50 HB1 GLU 50 80.122 5.110 15.988 379 HG2 GLU 50 HG2 GLU 50 78.936 5.109 13.204 380 HG3 GLU 50 HG1 GLU 50 78.786 3.744 14.312 381 H LYS 51 HN LYS 51 83.023 6.267 14.356 382 HA LYS 51 HA LYS 51 83.797 7.073 17.025 383 HB2 LYS 51 HB2 LYS 51 85.513 6.614 14.582 384 HB3 LYS 51 HB1 LYS 51 86.055 6.630 16.262 385 HG2 LYS 51 HG2 LYS 51 84.347 4.779 16.690 386 HG3 LYS 51 HG1 LYS 51 84.198 4.653 14.941 387 HD2 LYS 51 HD2 LYS 51 86.645 4.152 16.638 388 HD3 LYS 51 HD1 LYS 51 85.800 3.026 15.593 389 HE2 LYS 51 HE2 LYS 51 87.690 3.634 14.330 390 HE3 LYS 51 HE1 LYS 51 86.415 4.658 13.673 391 HZ1 LYS 51 HZ1 LYS 51 88.738 5.611 14.468 392 HZ2 LYS 51 HZ2 LYS 51 87.914 5.691 15.952 393 HZ3 LYS 51 HZ3 LYS 51 87.305 6.508 14.593 394 H LEU 52 HN LEU 52 83.759 8.578 13.834 395 HA LEU 52 HA LEU 52 85.250 10.917 14.655 396 HB2 LEU 52 HB2 LEU 52 84.532 9.784 12.233 397 HB3 LEU 52 HB1 LEU 52 83.425 11.145 12.317 398 HG LEU 52 HG LEU 52 85.574 12.505 12.982 399 HD11 LEU 52 HD11 LEU 52 87.651 11.638 12.237 400 HD12 LEU 52 HD12 LEU 52 86.873 10.322 11.356 401 HD13 LEU 52 HD13 LEU 52 86.897 10.310 13.119 402 HD21 LEU 52 HD21 LEU 52 84.322 12.869 10.901 403 HD22 LEU 52 HD22 LEU 52 85.113 11.475 10.165 404 HD23 LEU 52 HD23 LEU 52 86.055 12.909 10.573 405 H ASP 53 HN ASP 53 81.902 10.680 13.524 406 HA ASP 53 HA ASP 53 79.981 11.829 14.077 407 HB2 ASP 53 HB2 ASP 53 81.386 11.537 16.701 408 HB3 ASP 53 HB1 ASP 53 79.750 12.132 16.544 409 H VAL 54 HN VAL 54 81.232 13.613 12.829 410 HA VAL 54 HA VAL 54 81.335 15.991 14.586 411 HB VAL 54 HB VAL 54 83.464 16.522 14.028 412 HG11 VAL 54 HG11 VAL 54 83.589 14.306 15.006 413 HG12 VAL 54 HG12 VAL 54 84.921 14.591 13.889 414 HG13 VAL 54 HG13 VAL 54 83.556 13.591 13.394 415 HG21 VAL 54 HG21 VAL 54 84.529 15.591 11.799 416 HG22 VAL 54 HG22 VAL 54 83.452 16.980 11.751 417 HG23 VAL 54 HG23 VAL 54 82.841 15.375 11.337 418 H LYS 55 HN LYS 55 79.290 14.991 12.846 419 HA LYS 55 HA LYS 55 77.934 15.668 11.050 420 HB2 LYS 55 HB2 LYS 55 77.915 17.474 13.013 421 HB3 LYS 55 HB1 LYS 55 78.602 18.492 11.755 422 HG2 LYS 55 HG2 LYS 55 76.301 18.833 11.498 423 HG3 LYS 55 HG1 LYS 55 76.656 17.635 10.277 424 HD2 LYS 55 HD2 LYS 55 75.713 15.873 11.575 425 HD3 LYS 55 HD1 LYS 55 75.699 16.856 13.034 426 HE2 LYS 55 HE2 LYS 55 74.000 18.322 12.078 427 HE3 LYS 55 HE1 LYS 55 74.057 17.431 10.557 428 HZ1 LYS 55 HZ1 LYS 55 73.629 15.466 12.324 429 HZ2 LYS 55 HZ2 LYS 55 72.397 16.265 11.470 430 HZ3 LYS 55 HZ3 LYS 55 72.780 16.738 13.056 431 H LYS 56 HN LYS 56 80.998 15.584 10.504 432 HA LYS 56 HA LYS 56 81.356 17.669 8.478 433 HB2 LYS 56 HB2 LYS 56 83.349 16.739 9.512 434 HB3 LYS 56 HB1 LYS 56 82.905 15.109 9.025 435 HG2 LYS 56 HG2 LYS 56 83.144 15.789 6.641 436 HG3 LYS 56 HG1 LYS 56 83.617 17.404 7.168 437 HD2 LYS 56 HD2 LYS 56 85.071 14.837 7.876 438 HD3 LYS 56 HD1 LYS 56 85.579 15.975 6.631 439 HE2 LYS 56 HE2 LYS 56 85.440 17.725 8.627 440 HE3 LYS 56 HE1 LYS 56 85.647 16.280 9.616 441 HZ1 LYS 56 HZ1 LYS 56 87.798 16.934 9.200 442 HZ2 LYS 56 HZ2 LYS 56 87.467 17.429 7.609 443 HZ3 LYS 56 HZ3 LYS 56 87.549 15.775 7.987 444 H ASP 57 HN ASP 57 81.328 17.307 6.192 445 HA ASP 57 HA ASP 57 79.171 15.818 5.193 446 HB2 ASP 57 HB2 ASP 57 81.677 16.405 3.605 447 HB3 ASP 57 HB1 ASP 57 80.020 16.294 3.015 448 H TRP 58 HN TRP 58 79.258 13.719 6.102 449 HA TRP 58 HA TRP 58 81.552 11.980 5.640 450 HB2 TRP 58 HB2 TRP 58 78.723 11.285 6.434 451 HB3 TRP 58 HB1 TRP 58 80.128 10.259 6.617 452 HD1 TRP 58 HD1 TRP 58 82.136 12.367 7.896 453 HE1 TRP 58 HE1 TRP 58 81.726 13.198 10.320 454 HE3 TRP 58 HE3 TRP 58 77.165 11.316 8.359 455 HZ2 TRP 58 HZ2 TRP 58 79.566 13.371 12.179 456 HZ3 TRP 58 HZ3 TRP 58 75.956 11.823 10.460 457 HH2 TRP 58 HH2 TRP 58 77.151 12.852 12.372 458 H SER 59 HN SER 59 78.287 12.395 4.349 459 HA SER 59 HA SER 59 78.219 10.285 2.486 460 HB2 SER 59 HB2 SER 59 76.306 11.803 3.011 461 HB3 SER 59 HB1 SER 59 77.106 13.082 2.106 462 HG SER 59 HG SER 59 76.858 11.926 0.255 463 H ASP 60 HN ASP 60 79.406 13.622 2.029 464 HA ASP 60 HA ASP 60 80.252 13.319 -0.671 465 HB2 ASP 60 HB2 ASP 60 80.124 15.511 0.446 466 HB3 ASP 60 HB1 ASP 60 81.436 15.041 1.528 467 H HIS 61 HN HIS 61 81.265 11.605 1.965 468 HA HIS 61 HA HIS 61 83.958 11.070 0.794 469 HB2 HIS 61 HB2 HIS 61 83.048 11.191 3.667 470 HB3 HIS 61 HB1 HIS 61 84.525 10.381 3.179 471 HD1 HIS 61 HD1 HIS 61 82.978 13.737 2.218 472 HD2 HIS 61 HD2 HIS 61 86.599 12.161 3.554 473 HE1 HIS 61 HE1 HIS 61 84.602 15.677 2.340 474 H ALA 62 HN ALA 62 84.581 8.892 0.693 475 HA ALA 62 HA ALA 62 82.804 6.794 1.727 476 HB1 ALA 62 HB1 ALA 62 81.864 7.618 -0.532 477 HB2 ALA 62 HB2 ALA 62 82.140 5.884 -0.364 478 HB3 ALA 62 HB3 ALA 62 83.293 6.879 -1.255 479 H LEU 63 HN LEU 63 83.777 4.558 0.737 480 HA LEU 63 HA LEU 63 86.693 4.754 1.252 481 HB2 LEU 63 HB2 LEU 63 84.808 2.391 1.109 482 HB3 LEU 63 HB1 LEU 63 86.540 2.246 1.370 483 HG LEU 63 HG LEU 63 85.333 2.160 3.480 484 HD11 LEU 63 HD11 LEU 63 86.597 4.877 3.563 485 HD12 LEU 63 HD12 LEU 63 87.593 3.487 3.127 486 HD13 LEU 63 HD13 LEU 63 86.764 3.524 4.681 487 HD21 LEU 63 HD21 LEU 63 83.836 3.786 4.241 488 HD22 LEU 63 HD22 LEU 63 83.448 3.702 2.524 489 HD23 LEU 63 HD23 LEU 63 84.452 5.015 3.140 490 H TRP 64 HN TRP 64 88.246 4.198 -0.203 491 HA TRP 64 HA TRP 64 87.411 3.141 -2.881 492 HB2 TRP 64 HB2 TRP 64 87.931 5.114 -3.895 493 HB3 TRP 64 HB1 TRP 64 88.177 5.828 -2.324 494 HD1 TRP 64 HD1 TRP 64 90.880 4.904 -1.364 495 HE1 TRP 64 HE1 TRP 64 93.048 5.356 -2.670 496 HE3 TRP 64 HE3 TRP 64 88.952 5.743 -6.019 497 HZ2 TRP 64 HZ2 TRP 64 93.864 6.029 -5.325 498 HZ3 TRP 64 HZ3 TRP 64 90.448 6.309 -7.912 499 HH2 TRP 64 HH2 TRP 64 92.899 6.455 -7.572 500 H TRP 65 HN TRP 65 89.012 1.796 -3.836 501 HA TRP 65 HA TRP 65 91.142 0.915 -1.932 502 HB2 TRP 65 HB2 TRP 65 89.307 -0.665 -2.865 503 HB3 TRP 65 HB1 TRP 65 90.198 -0.589 -4.379 504 HD1 TRP 65 HD1 TRP 65 92.941 -0.364 -2.185 505 HE1 TRP 65 HE1 TRP 65 93.933 -2.654 -1.564 506 HE3 TRP 65 HE3 TRP 65 89.061 -3.402 -3.534 507 HZ2 TRP 65 HZ2 TRP 65 93.178 -5.410 -1.607 508 HZ3 TRP 65 HZ3 TRP 65 89.228 -5.856 -3.234 509 HH2 TRP 65 HH2 TRP 65 91.279 -6.864 -2.273 510 H GLU 66 HN GLU 66 92.758 2.483 -2.553 511 HA GLU 66 HA GLU 66 93.394 3.194 -5.201 512 HB2 GLU 66 HB2 GLU 66 95.694 3.717 -4.310 513 HB3 GLU 66 HB1 GLU 66 94.358 4.463 -3.450 514 HG2 GLU 66 HG2 GLU 66 94.438 2.554 -1.813 515 HG3 GLU 66 HG1 GLU 66 95.894 2.014 -2.636 516 H LYS 67 HN LYS 67 94.092 0.174 -3.565 517 HA LYS 67 HA LYS 67 96.291 -0.611 -5.252 518 HB2 LYS 67 HB2 LYS 67 94.176 -2.288 -3.919 519 HB3 LYS 67 HB1 LYS 67 95.526 -2.956 -4.796 520 HG2 LYS 67 HG2 LYS 67 95.646 -2.642 -2.170 521 HG3 LYS 67 HG1 LYS 67 97.055 -2.419 -3.161 522 HD2 LYS 67 HD2 LYS 67 96.768 -0.011 -3.106 523 HD3 LYS 67 HD1 LYS 67 95.251 -0.185 -2.221 524 HE2 LYS 67 HE2 LYS 67 97.225 0.363 -0.765 525 HE3 LYS 67 HE1 LYS 67 96.396 -1.128 -0.319 526 HZ1 LYS 67 HZ1 LYS 67 99.016 -0.976 -0.690 527 HZ2 LYS 67 HZ2 LYS 67 98.537 -1.381 -2.269 528 HZ3 LYS 67 HZ3 LYS 67 98.125 -2.392 -0.968 529 H LYS 68 HN LYS 68 92.972 -0.101 -5.626 530 HA LYS 68 HA LYS 68 92.926 -1.334 -8.347 531 HB2 LYS 68 HB2 LYS 68 90.389 -0.958 -6.785 532 HB3 LYS 68 HB1 LYS 68 90.786 -2.179 -7.988 533 HG2 LYS 68 HG2 LYS 68 92.116 -2.148 -5.261 534 HG3 LYS 68 HG1 LYS 68 90.582 -2.944 -5.541 535 HD2 LYS 68 HD2 LYS 68 91.538 -4.411 -7.190 536 HD3 LYS 68 HD1 LYS 68 93.053 -3.507 -7.192 537 HE2 LYS 68 HE2 LYS 68 93.713 -4.355 -5.120 538 HE3 LYS 68 HE1 LYS 68 92.064 -4.696 -4.608 539 HZ1 LYS 68 HZ1 LYS 68 93.894 -6.318 -6.136 540 HZ2 LYS 68 HZ2 LYS 68 92.327 -6.250 -6.789 541 HZ3 LYS 68 HZ3 LYS 68 92.562 -6.779 -5.192 542 H ARG 69 HN ARG 69 92.642 1.501 -6.485 543 HA ARG 69 HA ARG 69 91.885 3.661 -6.991 544 HB2 ARG 69 HB2 ARG 69 92.527 2.571 -9.750 545 HB3 ARG 69 HB1 ARG 69 91.941 4.210 -9.514 546 HG2 ARG 69 HG2 ARG 69 94.250 4.552 -9.474 547 HG3 ARG 69 HG1 ARG 69 93.915 4.364 -7.757 548 HD2 ARG 69 HD2 ARG 69 95.738 2.926 -8.088 549 HD3 ARG 69 HD1 ARG 69 94.362 1.833 -8.191 550 HE ARG 69 HE ARG 69 94.925 1.460 -10.444 551 HH11 ARG 69 HH11 ARG 69 96.084 1.882 -12.339 552 HH12 ARG 69 HH12 ARG 69 97.046 3.318 -12.448 553 HH21 ARG 69 HH21 ARG 69 96.246 4.416 -9.259 554 HH22 ARG 69 HH22 ARG 69 97.138 4.752 -10.705 555 H THR 70 HN THR 70 89.926 1.897 -6.363 556 HA THR 70 HA THR 70 87.743 2.384 -8.373 557 HB THR 70 HB THR 70 88.467 0.001 -7.715 558 HG1 THR 70 HG1 THR 70 85.945 -0.231 -7.147 559 HG21 THR 70 HG21 THR 70 87.924 -0.880 -5.635 560 HG22 THR 70 HG22 THR 70 86.744 0.387 -5.300 561 HG23 THR 70 HG23 THR 70 88.469 0.740 -5.202 562 H TRP 71 HN TRP 71 85.581 1.987 -6.894 563 HA TRP 71 HA TRP 71 85.729 3.843 -4.564 564 HB2 TRP 71 HB2 TRP 71 83.233 4.335 -5.313 565 HB3 TRP 71 HB1 TRP 71 84.560 5.234 -6.027 566 HD1 TRP 71 HD1 TRP 71 83.910 1.626 -7.126 567 HE1 TRP 71 HE1 TRP 71 83.052 1.644 -9.517 568 HE3 TRP 71 HE3 TRP 71 83.311 6.652 -7.818 569 HZ2 TRP 71 HZ2 TRP 71 82.235 3.517 -11.519 570 HZ3 TRP 71 HZ3 TRP 71 82.495 7.522 -9.990 571 HH2 TRP 71 HH2 TRP 71 81.956 5.962 -11.841 572 H LEU 72 HN LEU 72 85.681 2.293 -3.033 573 HA LEU 72 HA LEU 72 84.361 -0.180 -3.276 574 HB2 LEU 72 HB2 LEU 72 85.119 1.418 -0.850 575 HB3 LEU 72 HB1 LEU 72 84.624 -0.262 -0.785 576 HG LEU 72 HG LEU 72 86.866 0.762 -2.517 577 HD11 LEU 72 HD11 LEU 72 88.295 -0.433 -0.720 578 HD12 LEU 72 HD12 LEU 72 86.877 -0.247 0.313 579 HD13 LEU 72 HD13 LEU 72 87.672 1.177 -0.363 580 HD21 LEU 72 HD21 LEU 72 85.681 -1.922 -1.973 581 HD22 LEU 72 HD22 LEU 72 87.434 -1.848 -2.126 582 HD23 LEU 72 HD23 LEU 72 86.412 -1.283 -3.448 583 H LEU 73 HN LEU 73 82.355 0.250 -4.139 584 HA LEU 73 HA LEU 73 80.290 1.165 -2.176 585 HB2 LEU 73 HB2 LEU 73 78.888 1.793 -4.168 586 HB3 LEU 73 HB1 LEU 73 80.325 2.784 -3.961 587 HG LEU 73 HG LEU 73 81.378 0.947 -5.610 588 HD11 LEU 73 HD11 LEU 73 79.457 -0.471 -5.881 589 HD12 LEU 73 HD12 LEU 73 79.690 0.413 -7.387 590 HD13 LEU 73 HD13 LEU 73 78.430 0.913 -6.258 591 HD21 LEU 73 HD21 LEU 73 80.940 2.453 -7.475 592 HD22 LEU 73 HD22 LEU 73 81.238 3.393 -6.016 593 HD23 LEU 73 HD23 LEU 73 79.590 3.174 -6.598 594 H LYS 74 HN LYS 74 81.623 -1.510 -3.491 595 HA LYS 74 HA LYS 74 79.290 -2.934 -4.410 596 HB2 LYS 74 HB2 LYS 74 81.481 -4.548 -3.170 597 HB3 LYS 74 HB1 LYS 74 80.653 -4.777 -4.700 598 HG2 LYS 74 HG2 LYS 74 82.752 -2.681 -4.141 599 HG3 LYS 74 HG1 LYS 74 83.031 -4.193 -4.982 600 HD2 LYS 74 HD2 LYS 74 82.092 -3.461 -6.941 601 HD3 LYS 74 HD1 LYS 74 80.779 -2.626 -6.124 602 HE2 LYS 74 HE2 LYS 74 81.992 -0.869 -7.070 603 HE3 LYS 74 HE1 LYS 74 82.612 -0.919 -5.432 604 HZ1 LYS 74 HZ1 LYS 74 83.937 -2.591 -7.419 605 HZ2 LYS 74 HZ2 LYS 74 84.594 -1.763 -6.090 606 HZ3 LYS 74 HZ3 LYS 74 84.203 -0.919 -7.512 607 H THR 75 HN THR 75 78.836 -1.578 -1.862 608 HA THR 75 HA THR 75 79.030 -3.217 0.400 609 HB THR 75 HB THR 75 76.601 -1.538 -0.269 610 HG1 THR 75 HG1 THR 75 77.953 0.048 0.942 611 HG21 THR 75 HG21 THR 75 76.761 -1.161 2.255 612 HG22 THR 75 HG22 THR 75 77.898 -2.501 2.284 613 HG23 THR 75 HG23 THR 75 76.242 -2.762 1.739 614 H HIS 76 HN HIS 76 77.456 -3.974 -2.465 615 HA HIS 76 HA HIS 76 75.104 -5.291 -1.749 616 HB2 HIS 76 HB2 HIS 76 75.837 -5.105 -4.073 617 HB3 HIS 76 HB1 HIS 76 77.198 -6.179 -3.750 618 HD1 HIS 76 HD1 HIS 76 74.254 -7.262 -1.917 619 HD2 HIS 76 HD2 HIS 76 75.735 -7.847 -5.770 620 HE1 HIS 76 HE1 HIS 76 73.032 -9.271 -2.857 621 H TRP 77 HN TRP 77 78.103 -7.165 -2.282 622 HA TRP 77 HA TRP 77 77.120 -9.134 -0.308 623 HB2 TRP 77 HB2 TRP 77 78.183 -9.592 -2.675 624 HB3 TRP 77 HB1 TRP 77 79.692 -9.441 -1.811 625 HD1 TRP 77 HD1 TRP 77 78.189 -10.775 0.910 626 HE1 TRP 77 HE1 TRP 77 78.054 -13.346 0.959 627 HE3 TRP 77 HE3 TRP 77 78.917 -11.792 -4.044 628 HZ2 TRP 77 HZ2 TRP 77 78.232 -15.546 -0.859 629 HZ3 TRP 77 HZ3 TRP 77 78.929 -14.134 -4.855 630 HH2 TRP 77 HH2 TRP 77 78.587 -16.010 -3.271 631 H THR 78 HN THR 78 80.616 -9.166 -0.361 632 HA THR 78 HA THR 78 80.786 -7.264 1.898 633 HB THR 78 HB THR 78 81.916 -9.811 2.802 634 HG1 THR 78 HG1 THR 78 79.175 -10.023 2.732 635 HG21 THR 78 HG21 THR 78 81.435 -8.376 4.559 636 HG22 THR 78 HG22 THR 78 79.998 -9.396 4.572 637 HG23 THR 78 HG23 THR 78 79.924 -7.801 3.841 638 H LEU 79 HN LEU 79 83.143 -8.161 2.998 639 HA LEU 79 HA LEU 79 85.126 -7.157 1.136 640 HB2 LEU 79 HB2 LEU 79 85.322 -8.565 3.804 641 HB3 LEU 79 HB1 LEU 79 86.726 -7.982 2.934 642 HG LEU 79 HG LEU 79 85.955 -5.686 3.104 643 HD11 LEU 79 HD11 LEU 79 83.857 -5.268 4.513 644 HD12 LEU 79 HD12 LEU 79 83.483 -6.969 4.260 645 HD13 LEU 79 HD13 LEU 79 83.587 -5.872 2.881 646 HD21 LEU 79 HD21 LEU 79 85.722 -5.565 5.694 647 HD22 LEU 79 HD22 LEU 79 87.185 -6.300 5.038 648 HD23 LEU 79 HD23 LEU 79 85.886 -7.325 5.657 649 H ASP 80 HN ASP 80 84.668 -10.236 2.785 650 HA ASP 80 HA ASP 80 86.512 -11.900 1.626 651 HB2 ASP 80 HB2 ASP 80 84.778 -12.496 3.311 652 HB3 ASP 80 HB1 ASP 80 83.595 -12.571 2.009 653 H LYS 81 HN LYS 81 83.344 -11.085 0.213 654 HA LYS 81 HA LYS 81 83.653 -12.747 -2.039 655 HB2 LYS 81 HB2 LYS 81 81.472 -12.144 -2.107 656 HB3 LYS 81 HB1 LYS 81 81.780 -10.755 -1.084 657 HG2 LYS 81 HG2 LYS 81 82.509 -10.646 -3.998 658 HG3 LYS 81 HG1 LYS 81 80.850 -10.410 -3.522 659 HD2 LYS 81 HD2 LYS 81 81.766 -8.660 -1.884 660 HD3 LYS 81 HD1 LYS 81 83.250 -8.761 -2.778 661 HE2 LYS 81 HE2 LYS 81 81.744 -8.401 -4.879 662 HE3 LYS 81 HE1 LYS 81 80.577 -7.799 -3.704 663 HZ1 LYS 81 HZ1 LYS 81 81.998 -6.041 -4.615 664 HZ2 LYS 81 HZ2 LYS 81 83.366 -6.824 -3.983 665 HZ3 LYS 81 HZ3 LYS 81 82.181 -6.201 -2.937 666 H TYR 82 HN TYR 82 84.835 -9.579 -1.312 667 HA TYR 82 HA TYR 82 85.779 -9.108 -4.050 668 HB2 TYR 82 HB2 TYR 82 85.108 -7.443 -2.017 669 HB3 TYR 82 HB1 TYR 82 86.838 -7.521 -1.748 670 HD1 TYR 82 HD1 TYR 82 84.921 -5.193 -2.776 671 HD2 TYR 82 HD2 TYR 82 87.672 -7.879 -4.687 672 HE1 TYR 82 HE1 TYR 82 85.257 -3.552 -4.603 673 HE2 TYR 82 HE2 TYR 82 88.008 -6.240 -6.512 674 HH TYR 82 HH TYR 82 86.834 -4.355 -7.525 675 H GLY 83 HN GLY 83 87.248 -9.814 -0.871 676 HA2 GLY 83 HA2 GLY 83 89.056 -11.562 -0.843 677 HA3 GLY 83 HA1 GLY 83 89.699 -10.825 -2.312 678 H ILE 84 HN ILE 84 88.458 -8.481 -0.296 679 HA ILE 84 HA ILE 84 90.963 -7.219 0.204 680 HB ILE 84 HB ILE 84 88.250 -6.923 1.533 681 HG12 ILE 84 HG12 ILE 84 89.480 -4.988 -0.422 682 HG13 ILE 84 HG11 ILE 84 88.721 -6.457 -1.026 683 HG21 ILE 84 HG21 ILE 84 90.619 -5.046 1.603 684 HG22 ILE 84 HG22 ILE 84 90.029 -5.986 2.965 685 HG23 ILE 84 HG23 ILE 84 89.029 -4.719 2.277 686 HD11 ILE 84 HD11 ILE 84 86.604 -5.865 -0.128 687 HD12 ILE 84 HD12 ILE 84 87.226 -4.364 -0.811 688 HD13 ILE 84 HD13 ILE 84 87.307 -4.641 0.929 689 H GLN 85 HN GLN 85 91.955 -6.896 2.386 690 HA GLN 85 HA GLN 85 91.268 -8.873 4.449 691 HB2 GLN 85 HB2 GLN 85 93.028 -9.782 2.601 692 HB3 GLN 85 HB1 GLN 85 94.148 -8.983 3.698 693 HG2 GLN 85 HG2 GLN 85 94.050 -11.073 4.733 694 HG3 GLN 85 HG1 GLN 85 92.692 -10.297 5.565 695 HE21 GLN 85 HE21 GLN 85 90.737 -10.338 3.595 696 HE22 GLN 85 HE22 GLN 85 90.339 -11.935 3.210 697 H ALA 86 HN ALA 86 93.616 -8.649 5.966 698 HA ALA 86 HA ALA 86 93.354 -5.956 7.035 699 HB1 ALA 86 HB1 ALA 86 93.946 -8.280 8.177 700 HB2 ALA 86 HB2 ALA 86 94.593 -6.774 8.828 701 HB3 ALA 86 HB3 ALA 86 95.597 -7.799 7.798 702 H ASP 87 HN ASP 87 95.336 -7.433 4.655 703 HA ASP 87 HA ASP 87 97.514 -5.464 4.941 704 HB2 ASP 87 HB2 ASP 87 98.252 -6.692 2.751 705 HB3 ASP 87 HB1 ASP 87 98.342 -7.558 4.285 706 H ALA 88 HN ALA 88 94.474 -5.266 3.764 707 HA ALA 88 HA ALA 88 95.188 -3.740 1.300 708 HB1 ALA 88 HB1 ALA 88 92.476 -3.696 1.390 709 HB2 ALA 88 HB2 ALA 88 92.784 -5.134 2.372 710 HB3 ALA 88 HB3 ALA 88 93.379 -5.055 0.716 711 H LYS 89 HN LYS 89 95.635 -1.605 1.704 712 HA LYS 89 HA LYS 89 94.302 -0.248 3.993 713 HB2 LYS 89 HB2 LYS 89 96.358 1.056 2.222 714 HB3 LYS 89 HB1 LYS 89 96.002 1.363 3.920 715 HG2 LYS 89 HG2 LYS 89 97.228 -1.212 2.886 716 HG3 LYS 89 HG1 LYS 89 98.149 0.135 3.526 717 HD2 LYS 89 HD2 LYS 89 97.314 -0.142 5.709 718 HD3 LYS 89 HD1 LYS 89 95.946 -1.104 5.163 719 HE2 LYS 89 HE2 LYS 89 97.646 -2.529 6.222 720 HE3 LYS 89 HE1 LYS 89 97.449 -2.918 4.513 721 HZ1 LYS 89 HZ1 LYS 89 99.455 -2.007 3.972 722 HZ2 LYS 89 HZ2 LYS 89 99.809 -2.567 5.537 723 HZ3 LYS 89 HZ3 LYS 89 99.457 -0.925 5.278 724 H LEU 90 HN LEU 90 92.600 0.949 3.701 725 HA LEU 90 HA LEU 90 91.913 1.929 0.963 726 HB2 LEU 90 HB2 LEU 90 89.923 1.961 3.211 727 HB3 LEU 90 HB1 LEU 90 89.657 1.728 1.486 728 HG LEU 90 HG LEU 90 90.971 -0.259 3.335 729 HD11 LEU 90 HD11 LEU 90 88.679 -0.242 3.912 730 HD12 LEU 90 HD12 LEU 90 88.826 -1.567 2.758 731 HD13 LEU 90 HD13 LEU 90 88.176 -0.013 2.238 732 HD21 LEU 90 HD21 LEU 90 90.467 -1.767 1.265 733 HD22 LEU 90 HD22 LEU 90 91.853 -0.686 1.183 734 HD23 LEU 90 HD23 LEU 90 90.347 -0.243 0.380 735 H GLN 91 HN GLN 91 90.447 3.984 1.226 736 HA GLN 91 HA GLN 91 91.662 5.897 3.166 737 HB2 GLN 91 HB2 GLN 91 90.952 6.568 0.295 738 HB3 GLN 91 HB1 GLN 91 91.810 7.585 1.447 739 HG2 GLN 91 HG2 GLN 91 93.814 6.411 1.208 740 HG3 GLN 91 HG1 GLN 91 93.016 4.934 0.703 741 HE21 GLN 91 HE21 GLN 91 91.774 7.724 -0.807 742 HE22 GLN 91 HE22 GLN 91 92.548 7.529 -2.293 743 H PHE 92 HN PHE 92 90.149 7.847 3.384 744 HA PHE 92 HA PHE 92 87.298 7.024 2.904 745 HB2 PHE 92 HB2 PHE 92 87.806 6.986 5.270 746 HB3 PHE 92 HB1 PHE 92 88.481 8.595 5.214 747 HD1 PHE 92 HD1 PHE 92 87.062 10.459 5.628 748 HD2 PHE 92 HD2 PHE 92 85.354 6.688 4.494 749 HE1 PHE 92 HE1 PHE 92 84.796 11.355 6.070 750 HE2 PHE 92 HE2 PHE 92 83.084 7.587 4.925 751 HZ PHE 92 HZ PHE 92 82.805 9.919 5.717 752 H THR 93 HN THR 93 87.175 8.052 0.937 753 HA THR 93 HA THR 93 86.978 11.016 1.036 754 HB THR 93 HB THR 93 89.059 11.099 0.020 755 HG1 THR 93 HG1 THR 93 88.615 10.348 -2.378 756 HG21 THR 93 HG21 THR 93 89.565 8.739 0.396 757 HG22 THR 93 HG22 THR 93 90.036 9.186 -1.242 758 HG23 THR 93 HG23 THR 93 88.549 8.279 -0.970 759 HA PRO 94 HA PRO 94 83.311 10.748 -1.413 760 HB2 PRO 94 HB2 PRO 94 84.371 11.938 -3.855 761 HB3 PRO 94 HB1 PRO 94 83.308 12.677 -2.648 762 HG2 PRO 94 HG2 PRO 94 86.231 12.904 -2.953 763 HG3 PRO 94 HG1 PRO 94 85.098 13.986 -2.127 764 HD2 PRO 94 HD2 PRO 94 86.847 12.452 -0.753 765 HD3 PRO 94 HD1 PRO 94 85.230 12.807 -0.116 766 H TYR 541 HT1 TYR 541 58.394 41.386 14.365 767 HA TYR 541 HA TYR 541 57.633 39.420 15.906 768 HB2 TYR 541 HB2 TYR 541 57.741 40.860 17.937 769 HB3 TYR 541 HB1 TYR 541 56.503 41.903 17.235 770 HD1 TYR 541 HD1 TYR 541 57.166 38.324 18.120 771 HD2 TYR 541 HD2 TYR 541 54.228 41.411 17.584 772 HE1 TYR 541 HE1 TYR 541 55.407 36.799 18.972 773 HE2 TYR 541 HE2 TYR 541 52.469 39.885 18.435 774 HH TYR 541 HH TYR 541 53.106 36.495 19.019 775 H HIS 542 HN HIS 542 57.050 39.539 13.504 776 HA HIS 542 HA HIS 542 54.925 41.153 12.538 777 HB2 HIS 542 HB2 HIS 542 55.505 38.321 11.653 778 HB3 HIS 542 HB1 HIS 542 54.846 39.642 10.696 779 HD1 HIS 542 HD1 HIS 542 58.064 38.404 12.200 780 HD2 HIS 542 HD2 HIS 542 56.760 41.489 9.718 781 HE1 HIS 542 HE1 HIS 542 60.146 39.486 11.247 782 H GLU 543 HN GLU 543 52.900 39.625 11.613 783 HA GLU 543 HA GLU 543 51.579 38.617 14.101 784 HB2 GLU 543 HB2 GLU 543 50.089 40.240 13.450 785 HB3 GLU 543 HB1 GLU 543 50.738 40.299 11.819 786 HG2 GLU 543 HG2 GLU 543 48.366 39.546 11.886 787 HG3 GLU 543 HG1 GLU 543 49.437 38.335 11.185 788 H ARG 544 HN ARG 544 52.327 37.871 10.752 789 HA ARG 544 HA ARG 544 50.869 35.347 10.818 790 HB2 ARG 544 HB2 ARG 544 52.934 35.891 8.712 791 HB3 ARG 544 HB1 ARG 544 51.373 35.099 8.568 792 HG2 ARG 544 HG2 ARG 544 50.871 37.133 7.568 793 HG3 ARG 544 HG1 ARG 544 50.436 37.499 9.236 794 HD2 ARG 544 HD2 ARG 544 51.831 39.299 8.922 795 HD3 ARG 544 HD1 ARG 544 53.098 38.119 9.259 796 HE ARG 544 HE ARG 544 52.712 37.875 6.537 797 HH11 ARG 544 HH11 ARG 544 53.854 39.114 5.028 798 HH12 ARG 544 HH12 ARG 544 54.485 40.658 5.495 799 HH21 ARG 544 HH21 ARG 544 53.286 40.461 8.743 800 HH22 ARG 544 HH22 ARG 544 54.164 41.420 7.599 801 H ARG 545 HN ARG 545 51.809 34.143 12.525 802 HA ARG 545 HA ARG 545 54.663 33.759 12.760 803 HB2 ARG 545 HB2 ARG 545 52.286 32.268 13.916 804 HB3 ARG 545 HB1 ARG 545 53.949 31.899 14.321 805 HG2 ARG 545 HG2 ARG 545 53.386 33.365 16.050 806 HG3 ARG 545 HG1 ARG 545 54.150 34.439 14.899 807 HD2 ARG 545 HD2 ARG 545 52.264 35.683 14.771 808 HD3 ARG 545 HD1 ARG 545 51.329 34.296 14.240 809 HE ARG 545 HE ARG 545 51.110 35.558 16.761 810 HH11 ARG 545 HH11 ARG 545 50.289 34.562 18.590 811 HH12 ARG 545 HH12 ARG 545 50.251 32.833 18.682 812 HH21 ARG 545 HH21 ARG 545 51.654 32.366 15.553 813 HH22 ARG 545 HH22 ARG 545 51.023 31.593 16.966 814 H GLY 546 HN GLY 546 54.732 30.906 13.109 815 HA2 GLY 546 HA2 GLY 546 54.009 29.767 10.468 816 HA3 GLY 546 HA1 GLY 546 55.725 29.807 10.886 817 H SER 547 HN SER 547 56.525 28.301 12.338 818 HA SER 547 HA SER 547 54.736 26.740 14.048 819 HB2 SER 547 HB2 SER 547 55.852 25.638 11.491 820 HB3 SER 547 HB1 SER 547 55.785 24.574 12.894 821 HG SER 547 HG SER 547 53.708 24.452 12.632 822 H LEU 548 HN LEU 548 55.969 26.686 15.882 823 HA LEU 548 HA LEU 548 58.749 27.231 15.898 824 HB2 LEU 548 HB2 LEU 548 56.705 26.394 17.864 825 HB3 LEU 548 HB1 LEU 548 58.336 25.892 18.284 826 HG LEU 548 HG LEU 548 59.058 28.305 17.866 827 HD11 LEU 548 HD11 LEU 548 57.323 29.215 16.568 828 HD12 LEU 548 HD12 LEU 548 57.084 29.941 18.150 829 HD13 LEU 548 HD13 LEU 548 56.069 28.596 17.635 830 HD21 LEU 548 HD21 LEU 548 58.498 28.999 20.043 831 HD22 LEU 548 HD22 LEU 548 58.490 27.239 20.140 832 HD23 LEU 548 HD23 LEU 548 56.968 28.121 20.024 833 H CYS 549 HN CYS 549 60.549 25.946 15.757 834 HA CYS 549 HA CYS 549 60.122 23.146 14.942 835 HB2 CYS 549 HB2 CYS 549 61.859 24.174 13.719 836 HB3 CYS 549 HB1 CYS 549 62.464 25.040 15.117 837 H SER 550 HN SER 550 59.538 21.965 16.690 838 HA SER 550 HA SER 550 60.129 22.419 19.364 839 HB2 SER 550 HB2 SER 550 58.494 20.800 18.906 840 HB3 SER 550 HB1 SER 550 59.580 19.830 17.920 841 HG SER 550 HG SER 550 60.368 18.953 19.672 842 H GLY 551 HN GLY 551 61.859 22.386 20.518 843 HA2 GLY 551 HA2 GLY 551 63.947 21.267 21.275 844 HA3 GLY 551 HA1 GLY 551 64.281 20.885 19.580 845 H CYS 552 HN CYS 552 63.303 23.365 18.581 846 HA CYS 552 HA CYS 552 65.549 25.187 19.335 847 HB2 CYS 552 HB2 CYS 552 63.939 24.659 16.854 848 HB3 CYS 552 HB1 CYS 552 64.654 26.248 17.074 849 H GLN 553 HN GLN 553 62.104 24.836 18.808 850 HA GLN 553 HA GLN 553 60.317 26.167 19.309 851 HB2 GLN 553 HB2 GLN 553 62.143 27.034 21.532 852 HB3 GLN 553 HB1 GLN 553 60.427 27.437 21.435 853 HG2 GLN 553 HG2 GLN 553 61.493 24.614 21.338 854 HG3 GLN 553 HG1 GLN 553 60.915 25.380 22.803 855 HE21 GLN 553 HE21 GLN 553 59.914 24.253 19.599 856 HE22 GLN 553 HE22 GLN 553 58.260 24.128 19.960 857 H LYS 554 HN LYS 554 61.346 27.042 17.265 858 HA LYS 554 HA LYS 554 61.180 29.990 17.444 859 HB2 LYS 554 HB2 LYS 554 63.291 28.498 15.865 860 HB3 LYS 554 HB1 LYS 554 62.993 30.227 15.743 861 HG2 LYS 554 HG2 LYS 554 63.747 28.811 18.311 862 HG3 LYS 554 HG1 LYS 554 64.901 29.630 17.267 863 HD2 LYS 554 HD2 LYS 554 63.283 31.685 17.532 864 HD3 LYS 554 HD1 LYS 554 62.696 30.809 18.945 865 HE2 LYS 554 HE2 LYS 554 64.439 32.275 19.709 866 HE3 LYS 554 HE1 LYS 554 65.098 30.640 19.723 867 HZ1 LYS 554 HZ1 LYS 554 66.681 31.316 18.355 868 HZ2 LYS 554 HZ2 LYS 554 66.022 32.881 18.312 869 HZ3 LYS 554 HZ3 LYS 554 65.521 31.714 17.183 870 HA PRO 555 HA PRO 555 57.997 28.836 14.424 871 HB2 PRO 555 HB2 PRO 555 58.605 31.481 13.228 872 HB3 PRO 555 HB1 PRO 555 57.054 30.805 13.732 873 HG2 PRO 555 HG2 PRO 555 58.421 32.703 15.179 874 HG3 PRO 555 HG1 PRO 555 57.284 31.560 15.900 875 HD2 PRO 555 HD2 PRO 555 60.218 31.658 16.187 876 HD3 PRO 555 HD1 PRO 555 59.036 30.726 17.139 877 H ILE 556 HN ILE 556 58.076 27.763 12.593 878 HA ILE 556 HA ILE 556 60.532 27.809 10.928 879 HB ILE 556 HB ILE 556 58.119 25.971 11.072 880 HG12 ILE 556 HG12 ILE 556 60.969 25.172 11.654 881 HG13 ILE 556 HG11 ILE 556 60.065 26.017 12.892 882 HG21 ILE 556 HG21 ILE 556 58.870 25.931 8.806 883 HG22 ILE 556 HG22 ILE 556 59.562 24.509 9.584 884 HG23 ILE 556 HG23 ILE 556 60.564 25.928 9.295 885 HD11 ILE 556 HD11 ILE 556 58.619 23.747 11.613 886 HD12 ILE 556 HD12 ILE 556 58.703 24.217 13.310 887 HD13 ILE 556 HD13 ILE 556 60.020 23.309 12.585 888 H THR 557 HN THR 557 60.235 29.642 9.598 889 HA THR 557 HA THR 557 57.624 29.950 8.196 890 HB THR 557 HB THR 557 58.221 32.194 7.857 891 HG1 THR 557 HG1 THR 557 60.618 32.599 8.548 892 HG21 THR 557 HG21 THR 557 57.921 31.440 10.275 893 HG22 THR 557 HG22 THR 557 58.782 32.966 10.053 894 HG23 THR 557 HG23 THR 557 59.679 31.489 10.409 895 H GLY 558 HN GLY 558 57.826 28.323 6.659 896 HA2 GLY 558 HA2 GLY 558 58.578 28.865 4.101 897 HA3 GLY 558 HA1 GLY 558 60.079 28.236 4.795 898 H ARG 559 HN ARG 559 60.216 26.079 5.311 899 HA ARG 559 HA ARG 559 57.904 24.332 4.565 900 HB2 ARG 559 HB2 ARG 559 60.888 24.084 4.223 901 HB3 ARG 559 HB1 ARG 559 59.938 22.611 4.423 902 HG2 ARG 559 HG2 ARG 559 59.050 24.687 2.428 903 HG3 ARG 559 HG1 ARG 559 60.362 23.590 2.005 904 HD2 ARG 559 HD2 ARG 559 58.990 21.686 2.144 905 HD3 ARG 559 HD1 ARG 559 57.785 22.507 3.136 906 HE ARG 559 HE ARG 559 57.741 23.907 0.744 907 HH11 ARG 559 HH11 ARG 559 56.368 23.346 -0.963 908 HH12 ARG 559 HH12 ARG 559 55.799 21.715 -1.098 909 HH21 ARG 559 HH21 ARG 559 57.485 20.613 1.725 910 HH22 ARG 559 HH22 ARG 559 56.432 20.168 0.424 911 H CYS 560 HN CYS 560 57.461 22.601 6.056 912 HA CYS 560 HA CYS 560 59.049 22.589 8.560 913 HB2 CYS 560 HB2 CYS 560 57.014 22.747 9.949 914 HB3 CYS 560 HB1 CYS 560 57.300 24.218 9.016 915 HG CYS 560 HG CYS 560 55.187 23.835 7.769 916 H ILE 561 HN ILE 561 59.450 20.654 9.198 917 HA ILE 561 HA ILE 561 57.940 18.380 8.083 918 HB ILE 561 HB ILE 561 60.426 18.544 9.806 919 HG12 ILE 561 HG12 ILE 561 59.920 17.945 6.898 920 HG13 ILE 561 HG11 ILE 561 60.689 19.388 7.528 921 HG21 ILE 561 HG21 ILE 561 59.166 16.150 8.438 922 HG22 ILE 561 HG22 ILE 561 59.153 16.425 10.182 923 HG23 ILE 561 HG23 ILE 561 60.674 16.137 9.346 924 HD11 ILE 561 HD11 ILE 561 62.455 17.928 6.793 925 HD12 ILE 561 HD12 ILE 561 61.734 16.547 7.633 926 HD13 ILE 561 HD13 ILE 561 62.445 17.878 8.559 927 H THR 562 HN THR 562 56.863 16.954 9.388 928 HA THR 562 HA THR 562 56.317 17.845 12.192 929 HB THR 562 HB THR 562 54.378 16.252 10.528 930 HG1 THR 562 HG1 THR 562 54.864 18.335 9.589 931 HG21 THR 562 HG21 THR 562 54.246 16.335 13.063 932 HG22 THR 562 HG22 THR 562 52.804 16.910 12.220 933 HG23 THR 562 HG23 THR 562 53.945 18.068 12.906 934 H ALA 563 HN ALA 563 56.193 16.295 13.751 935 HA ALA 563 HA ALA 563 57.152 13.565 13.001 936 HB1 ALA 563 HB1 ALA 563 58.503 13.581 15.001 937 HB2 ALA 563 HB2 ALA 563 57.809 15.126 15.502 938 HB3 ALA 563 HB3 ALA 563 58.859 15.051 14.083 939 H MET 564 HN MET 564 56.923 13.465 16.144 940 HA MET 564 HA MET 564 54.490 11.960 16.242 941 HB2 MET 564 HB2 MET 564 55.754 13.242 18.654 942 HB3 MET 564 HB1 MET 564 55.011 11.648 18.506 943 HG2 MET 564 HG2 MET 564 56.931 11.116 16.855 944 HG3 MET 564 HG1 MET 564 57.700 12.565 17.500 945 HE1 MET 564 HE1 MET 564 59.694 11.696 18.440 946 HE2 MET 564 HE2 MET 564 59.403 10.087 17.786 947 HE3 MET 564 HE3 MET 564 59.883 10.271 19.471 948 H ALA 565 HN ALA 565 54.402 14.743 15.317 949 HA ALA 565 HA ALA 565 52.391 16.101 15.252 950 HB1 ALA 565 HB1 ALA 565 51.410 14.941 17.301 951 HB2 ALA 565 HB2 ALA 565 51.187 16.686 17.240 952 HB3 ALA 565 HB3 ALA 565 52.431 16.001 18.280 953 H LYS 566 HN LYS 566 55.405 16.043 16.661 954 HA LYS 566 HA LYS 566 55.528 18.893 17.387 955 HB2 LYS 566 HB2 LYS 566 57.397 16.557 17.349 956 HB3 LYS 566 HB1 LYS 566 58.135 18.148 17.205 957 HG2 LYS 566 HG2 LYS 566 57.272 18.864 19.292 958 HG3 LYS 566 HG1 LYS 566 56.131 17.524 19.376 959 HD2 LYS 566 HD2 LYS 566 59.070 16.893 19.194 960 HD3 LYS 566 HD1 LYS 566 58.423 17.448 20.732 961 HE2 LYS 566 HE2 LYS 566 57.030 15.578 20.973 962 HE3 LYS 566 HE1 LYS 566 56.993 15.254 19.235 963 HZ1 LYS 566 HZ1 LYS 566 58.470 13.848 20.880 964 HZ2 LYS 566 HZ2 LYS 566 59.578 15.106 20.603 965 HZ3 LYS 566 HZ3 LYS 566 58.983 14.191 19.300 966 H LYS 567 HN LYS 567 57.126 20.312 16.220 967 HA LYS 567 HA LYS 567 57.018 19.803 13.269 968 HB2 LYS 567 HB2 LYS 567 57.624 22.456 14.532 969 HB3 LYS 567 HB1 LYS 567 56.927 22.131 12.958 970 HG2 LYS 567 HG2 LYS 567 55.561 21.683 15.636 971 HG3 LYS 567 HG1 LYS 567 55.215 22.983 14.509 972 HD2 LYS 567 HD2 LYS 567 54.837 20.017 13.933 973 HD3 LYS 567 HD1 LYS 567 53.556 21.175 14.283 974 HE2 LYS 567 HE2 LYS 567 54.536 22.520 12.272 975 HE3 LYS 567 HE1 LYS 567 55.303 20.991 11.848 976 HZ1 LYS 567 HZ1 LYS 567 52.637 20.481 12.510 977 HZ2 LYS 567 HZ2 LYS 567 53.399 20.303 11.002 978 HZ3 LYS 567 HZ3 LYS 567 52.657 21.775 11.414 979 H PHE 568 HN PHE 568 59.076 20.956 12.186 980 HA PHE 568 HA PHE 568 61.441 20.898 13.921 981 HB2 PHE 568 HB2 PHE 568 60.565 18.466 12.686 982 HB3 PHE 568 HB1 PHE 568 62.011 18.960 11.822 983 HD1 PHE 568 HD1 PHE 568 63.800 20.105 13.668 984 HD2 PHE 568 HD2 PHE 568 61.018 16.907 14.375 985 HE1 PHE 568 HE1 PHE 568 65.210 19.289 15.537 986 HE2 PHE 568 HE2 PHE 568 62.430 16.093 16.244 987 HZ PHE 568 HZ PHE 568 64.526 17.284 16.824 988 H HIS 569 HN HIS 569 63.074 22.070 13.032 989 HA HIS 569 HA HIS 569 62.637 23.671 10.728 990 HB2 HIS 569 HB2 HIS 569 65.031 22.870 12.318 991 HB3 HIS 569 HB1 HIS 569 65.304 23.671 10.783 992 HD2 HIS 569 HD2 HIS 569 63.493 26.213 10.764 993 HE1 HIS 569 HE1 HIS 569 64.469 26.813 14.826 994 HA PRO 570 HA PRO 570 62.818 20.098 7.886 995 HB2 PRO 570 HB2 PRO 570 63.619 22.258 5.974 996 HB3 PRO 570 HB1 PRO 570 62.388 20.996 5.793 997 HG2 PRO 570 HG2 PRO 570 61.724 23.571 6.346 998 HG3 PRO 570 HG1 PRO 570 60.782 22.205 6.953 999 HD2 PRO 570 HD2 PRO 570 62.566 24.042 8.449 1000 HD3 PRO 570 HD1 PRO 570 61.241 23.012 9.049 1001 H GLU 571 HN GLU 571 65.378 22.158 8.839 1002 HA GLU 571 HA GLU 571 67.419 20.537 7.389 1003 HB2 GLU 571 HB2 GLU 571 68.024 22.979 9.046 1004 HB3 GLU 571 HB1 GLU 571 68.888 22.339 7.649 1005 HG2 GLU 571 HG2 GLU 571 66.773 22.836 6.303 1006 HG3 GLU 571 HG1 GLU 571 66.238 23.765 7.708 1007 H HIS 572 HN HIS 572 66.828 21.927 10.630 1008 HA HIS 572 HA HIS 572 68.851 20.468 11.983 1009 HB2 HIS 572 HB2 HIS 572 66.168 21.153 13.212 1010 HB3 HIS 572 HB1 HIS 572 67.714 20.977 14.038 1011 HD2 HIS 572 HD2 HIS 572 69.169 22.797 11.423 1012 HE1 HIS 572 HE1 HIS 572 67.115 25.936 13.345 1013 H PHE 573 HN PHE 573 66.252 19.211 10.338 1014 HA PHE 573 HA PHE 573 66.381 16.663 11.921 1015 HB2 PHE 573 HB2 PHE 573 64.130 17.966 11.880 1016 HB3 PHE 573 HB1 PHE 573 64.039 17.464 10.194 1017 HD1 PHE 573 HD1 PHE 573 64.475 16.156 13.663 1018 HD2 PHE 573 HD2 PHE 573 63.318 15.278 9.620 1019 HE1 PHE 573 HE1 PHE 573 63.668 13.923 14.379 1020 HE2 PHE 573 HE2 PHE 573 62.510 13.045 10.336 1021 HZ PHE 573 HZ PHE 573 62.685 12.368 12.715 1022 H VAL 574 HN VAL 574 68.291 17.084 10.107 1023 HA VAL 574 HA VAL 574 67.449 16.031 7.499 1024 HB VAL 574 HB VAL 574 69.861 16.267 6.918 1025 HG11 VAL 574 HG11 VAL 574 69.146 18.290 6.206 1026 HG12 VAL 574 HG12 VAL 574 69.579 18.979 7.750 1027 HG13 VAL 574 HG13 VAL 574 67.944 18.371 7.480 1028 HG21 VAL 574 HG21 VAL 574 71.318 17.483 8.524 1029 HG22 VAL 574 HG22 VAL 574 70.790 15.924 9.165 1030 HG23 VAL 574 HG23 VAL 574 70.020 17.419 9.727 1031 H CYS 575 HN CYS 575 69.144 14.307 6.644 1032 HA CYS 575 HA CYS 575 68.951 11.963 8.399 1033 HB2 CYS 575 HB2 CYS 575 68.783 11.075 6.319 1034 HB3 CYS 575 HB1 CYS 575 69.456 12.529 5.593 1035 H ALA 576 HN ALA 576 70.745 10.847 9.398 1036 HA ALA 576 HA ALA 576 73.158 12.611 9.616 1037 HB1 ALA 576 HB1 ALA 576 73.691 11.392 11.562 1038 HB2 ALA 576 HB2 ALA 576 72.774 9.975 11.048 1039 HB3 ALA 576 HB3 ALA 576 71.925 11.421 11.600 1040 H PHE 577 HN PHE 577 73.615 12.127 7.374 1041 HA PHE 577 HA PHE 577 75.675 10.070 7.076 1042 HB2 PHE 577 HB2 PHE 577 73.617 8.930 6.126 1043 HB3 PHE 577 HB1 PHE 577 73.438 10.282 5.015 1044 HD1 PHE 577 HD1 PHE 577 75.901 7.627 6.053 1045 HD2 PHE 577 HD2 PHE 577 74.543 10.278 2.949 1046 HE1 PHE 577 HE1 PHE 577 77.450 6.554 4.456 1047 HE2 PHE 577 HE2 PHE 577 76.099 9.193 1.355 1048 HZ PHE 577 HZ PHE 577 77.551 7.334 2.107 1049 H CYS 578 HN CYS 578 73.573 12.457 5.792 1050 HA CYS 578 HA CYS 578 75.803 14.201 4.860 1051 HB2 CYS 578 HB2 CYS 578 73.884 15.020 3.221 1052 HB3 CYS 578 HB1 CYS 578 74.827 13.596 2.797 1053 H LEU 579 HN LEU 579 75.205 16.519 5.237 1054 HA LEU 579 HA LEU 579 73.248 16.792 7.464 1055 HB2 LEU 579 HB2 LEU 579 75.056 19.079 6.817 1056 HB3 LEU 579 HB1 LEU 579 74.575 18.428 8.376 1057 HG LEU 579 HG LEU 579 76.937 18.091 8.065 1058 HD11 LEU 579 HD11 LEU 579 75.327 16.181 8.956 1059 HD12 LEU 579 HD12 LEU 579 77.058 15.906 8.768 1060 HD13 LEU 579 HD13 LEU 579 75.936 15.323 7.540 1061 HD21 LEU 579 HD21 LEU 579 76.391 17.833 5.355 1062 HD22 LEU 579 HD22 LEU 579 76.863 16.197 5.817 1063 HD23 LEU 579 HD23 LEU 579 77.944 17.550 6.133 1064 H LYS 580 HN LYS 580 72.832 17.105 4.230 1065 HA LYS 580 HA LYS 580 71.840 19.919 4.360 1066 HB2 LYS 580 HB2 LYS 580 72.085 20.023 2.074 1067 HB3 LYS 580 HB1 LYS 580 73.310 18.836 2.482 1068 HG2 LYS 580 HG2 LYS 580 70.513 18.123 1.508 1069 HG3 LYS 580 HG1 LYS 580 71.938 18.212 0.492 1070 HD2 LYS 580 HD2 LYS 580 72.983 16.386 1.568 1071 HD3 LYS 580 HD1 LYS 580 71.876 16.441 2.936 1072 HE2 LYS 580 HE2 LYS 580 71.435 14.604 1.226 1073 HE3 LYS 580 HE1 LYS 580 70.063 15.632 1.643 1074 HZ1 LYS 580 HZ1 LYS 580 70.196 15.377 -0.732 1075 HZ2 LYS 580 HZ2 LYS 580 71.811 15.906 -0.743 1076 HZ3 LYS 580 HZ3 LYS 580 70.564 16.982 -0.326 1077 H GLN 581 HN GLN 581 70.276 16.676 3.634 1078 HA GLN 581 HA GLN 581 67.818 17.948 4.499 1079 HB2 GLN 581 HB2 GLN 581 68.138 18.813 2.184 1080 HB3 GLN 581 HB1 GLN 581 67.834 17.177 1.603 1081 HG2 GLN 581 HG2 GLN 581 65.721 18.276 1.555 1082 HG3 GLN 581 HG1 GLN 581 65.669 17.277 2.992 1083 HE21 GLN 581 HE21 GLN 581 66.209 18.436 5.103 1084 HE22 GLN 581 HE22 GLN 581 65.807 20.072 5.222 1085 H LEU 582 HN LEU 582 66.186 16.715 5.015 1086 HA LEU 582 HA LEU 582 66.104 13.876 4.179 1087 HB2 LEU 582 HB2 LEU 582 67.140 14.154 6.471 1088 HB3 LEU 582 HB1 LEU 582 65.594 14.781 7.016 1089 HG LEU 582 HG LEU 582 64.525 12.653 6.373 1090 HD11 LEU 582 HD11 LEU 582 65.620 11.527 4.710 1091 HD12 LEU 582 HD12 LEU 582 66.498 10.780 6.040 1092 HD13 LEU 582 HD13 LEU 582 67.199 12.152 5.174 1093 HD21 LEU 582 HD21 LEU 582 65.929 11.219 8.068 1094 HD22 LEU 582 HD22 LEU 582 65.112 12.679 8.623 1095 HD23 LEU 582 HD23 LEU 582 66.838 12.715 8.292 1096 H ASN 583 HN ASN 583 63.812 13.010 4.781 1097 HA ASN 583 HA ASN 583 61.759 15.157 4.940 1098 HB2 ASN 583 HB2 ASN 583 62.221 13.346 2.565 1099 HB3 ASN 583 HB1 ASN 583 60.600 13.932 2.924 1100 HD21 ASN 583 HD21 ASN 583 61.743 14.735 0.547 1101 HD22 ASN 583 HD22 ASN 583 62.177 16.369 0.630 1102 H LYS 584 HN LYS 584 60.116 14.484 6.197 1103 HA LYS 584 HA LYS 584 60.082 12.086 7.622 1104 HB2 LYS 584 HB2 LYS 584 57.611 12.593 7.908 1105 HB3 LYS 584 HB1 LYS 584 58.707 13.916 8.308 1106 HG2 LYS 584 HG2 LYS 584 58.135 15.168 6.426 1107 HG3 LYS 584 HG1 LYS 584 57.722 13.746 5.464 1108 HD2 LYS 584 HD2 LYS 584 55.667 14.871 5.934 1109 HD3 LYS 584 HD1 LYS 584 55.705 13.454 6.975 1110 HE2 LYS 584 HE2 LYS 584 55.005 15.231 8.388 1111 HE3 LYS 584 HE1 LYS 584 56.710 15.002 8.767 1112 HZ1 LYS 584 HZ1 LYS 584 56.078 17.347 8.421 1113 HZ2 LYS 584 HZ2 LYS 584 55.686 16.981 6.809 1114 HZ3 LYS 584 HZ3 LYS 584 57.287 16.820 7.354 1115 H GLY 585 HN GLY 585 59.252 12.642 4.337 1116 HA2 GLY 585 HA2 GLY 585 57.545 10.256 4.106 1117 HA3 GLY 585 HA1 GLY 585 57.996 11.349 2.800 1118 H THR 586 HN THR 586 60.824 11.155 3.830 1119 HA THR 586 HA THR 586 61.520 8.401 2.895 1120 HB THR 586 HB THR 586 63.041 9.190 1.306 1121 HG1 THR 586 HG1 THR 586 64.244 10.850 1.728 1122 HG21 THR 586 HG21 THR 586 61.870 10.825 -0.048 1123 HG22 THR 586 HG22 THR 586 60.991 11.427 1.360 1124 HG23 THR 586 HG23 THR 586 60.661 9.809 0.740 1125 H PHE 587 HN PHE 587 61.384 9.765 5.549 1126 HA PHE 587 HA PHE 587 64.252 10.008 6.257 1127 HB2 PHE 587 HB2 PHE 587 63.609 10.939 8.286 1128 HB3 PHE 587 HB1 PHE 587 62.351 11.500 7.206 1129 HD1 PHE 587 HD1 PHE 587 62.746 10.466 10.405 1130 HD2 PHE 587 HD2 PHE 587 60.462 9.362 6.938 1131 HE1 PHE 587 HE1 PHE 587 61.036 9.420 11.860 1132 HE2 PHE 587 HE2 PHE 587 58.755 8.319 8.394 1133 HZ PHE 587 HZ PHE 587 59.040 8.346 10.855 1134 H LYS 588 HN LYS 588 65.262 8.176 6.407 1135 HA LYS 588 HA LYS 588 64.009 5.796 7.665 1136 HB2 LYS 588 HB2 LYS 588 65.647 6.172 5.397 1137 HB3 LYS 588 HB1 LYS 588 66.731 5.518 6.583 1138 HG2 LYS 588 HG2 LYS 588 65.642 3.791 5.121 1139 HG3 LYS 588 HG1 LYS 588 65.444 3.524 6.839 1140 HD2 LYS 588 HD2 LYS 588 63.409 3.201 5.212 1141 HD3 LYS 588 HD1 LYS 588 63.156 3.946 6.770 1142 HE2 LYS 588 HE2 LYS 588 62.799 6.061 5.835 1143 HE3 LYS 588 HE1 LYS 588 63.767 5.701 4.424 1144 HZ1 LYS 588 HZ1 LYS 588 62.068 4.708 3.378 1145 HZ2 LYS 588 HZ2 LYS 588 61.135 5.695 4.399 1146 HZ3 LYS 588 HZ3 LYS 588 61.408 4.068 4.803 1147 H GLU 589 HN GLU 589 65.561 4.582 9.192 1148 HA GLU 589 HA GLU 589 67.477 6.362 10.577 1149 HB2 GLU 589 HB2 GLU 589 65.611 7.095 11.773 1150 HB3 GLU 589 HB1 GLU 589 64.825 5.522 11.731 1151 HG2 GLU 589 HG2 GLU 589 66.317 4.646 13.393 1152 HG3 GLU 589 HG1 GLU 589 67.394 6.041 13.265 1153 H GLN 590 HN GLN 590 68.698 5.319 12.135 1154 HA GLN 590 HA GLN 590 68.556 2.423 12.486 1155 HB2 GLN 590 HB2 GLN 590 69.877 3.005 10.276 1156 HB3 GLN 590 HB1 GLN 590 71.141 3.529 11.376 1157 HG2 GLN 590 HG2 GLN 590 71.757 1.306 11.160 1158 HG3 GLN 590 HG1 GLN 590 70.641 1.155 12.515 1159 HE21 GLN 590 HE21 GLN 590 71.379 -0.293 9.640 1160 HE22 GLN 590 HE22 GLN 590 69.857 -0.918 9.226 1161 H ASN 591 HN ASN 591 69.742 1.865 14.387 1162 HA ASN 591 HA ASN 591 70.470 2.367 16.548 1163 HB2 ASN 591 HB2 ASN 591 72.614 4.029 16.298 1164 HB3 ASN 591 HB1 ASN 591 72.684 2.313 15.950 1165 HD21 ASN 591 HD21 ASN 591 71.914 1.822 13.587 1166 HD22 ASN 591 HD22 ASN 591 72.526 2.845 12.387 1167 H ASP 592 HN ASP 592 68.424 4.243 15.331 1168 HA ASP 592 HA ASP 592 67.175 6.000 16.292 1169 HB2 ASP 592 HB2 ASP 592 69.496 6.804 18.026 1170 HB3 ASP 592 HB1 ASP 592 67.770 6.970 18.334 1171 H LYS 593 HN LYS 593 70.054 6.200 14.662 1172 HA LYS 593 HA LYS 593 70.233 9.123 14.569 1173 HB2 LYS 593 HB2 LYS 593 71.693 7.039 12.967 1174 HB3 LYS 593 HB1 LYS 593 72.140 8.726 13.165 1175 HG2 LYS 593 HG2 LYS 593 72.108 8.125 15.740 1176 HG3 LYS 593 HG1 LYS 593 72.299 6.476 15.152 1177 HD2 LYS 593 HD2 LYS 593 74.345 7.050 13.997 1178 HD3 LYS 593 HD1 LYS 593 74.119 8.766 14.343 1179 HE2 LYS 593 HE2 LYS 593 74.343 6.695 16.535 1180 HE3 LYS 593 HE1 LYS 593 75.753 7.518 15.868 1181 HZ1 LYS 593 HZ1 LYS 593 75.069 8.770 17.722 1182 HZ2 LYS 593 HZ2 LYS 593 73.434 8.724 17.262 1183 HZ3 LYS 593 HZ3 LYS 593 74.546 9.646 16.367 1184 HA PRO 594 HA PRO 594 67.114 9.159 11.221 1185 HB2 PRO 594 HB2 PRO 594 68.559 11.673 10.523 1186 HB3 PRO 594 HB1 PRO 594 66.829 11.407 10.743 1187 HG2 PRO 594 HG2 PRO 594 68.361 12.697 12.572 1188 HG3 PRO 594 HG1 PRO 594 66.960 11.719 13.036 1189 HD2 PRO 594 HD2 PRO 594 69.854 11.124 13.403 1190 HD3 PRO 594 HD1 PRO 594 68.446 10.478 14.280 1191 H TYR 595 HN TYR 595 67.235 9.159 8.781 1192 HA TYR 595 HA TYR 595 69.824 9.117 7.469 1193 HB2 TYR 595 HB2 TYR 595 68.597 6.571 8.443 1194 HB3 TYR 595 HB1 TYR 595 69.378 6.543 6.874 1195 HD1 TYR 595 HD1 TYR 595 71.741 7.892 6.902 1196 HD2 TYR 595 HD2 TYR 595 69.938 5.881 10.233 1197 HE1 TYR 595 HE1 TYR 595 73.981 7.604 7.948 1198 HE2 TYR 595 HE2 TYR 595 72.173 5.603 11.270 1199 HH TYR 595 HH TYR 595 74.336 6.015 11.109 1200 H CYS 596 HN CYS 596 69.540 9.174 5.202 1201 HA CYS 596 HA CYS 596 66.772 9.251 4.191 1202 HB2 CYS 596 HB2 CYS 596 69.270 9.096 2.476 1203 HB3 CYS 596 HB1 CYS 596 67.700 9.756 2.050 1204 H GLN 597 HN GLN 597 66.028 7.562 2.620 1205 HA GLN 597 HA GLN 597 66.802 4.969 3.519 1206 HB2 GLN 597 HB2 GLN 597 64.688 4.941 2.522 1207 HB3 GLN 597 HB1 GLN 597 65.168 6.027 1.251 1208 HG2 GLN 597 HG2 GLN 597 64.974 4.033 0.064 1209 HG3 GLN 597 HG1 GLN 597 66.672 3.985 0.494 1210 HE21 GLN 597 HE21 GLN 597 66.149 3.398 3.345 1211 HE22 GLN 597 HE22 GLN 597 65.630 1.804 3.409 1212 H ASN 598 HN ASN 598 67.496 6.627 0.443 1213 HA ASN 598 HA ASN 598 69.354 4.876 -0.648 1214 HB2 ASN 598 HB2 ASN 598 70.001 7.808 -0.706 1215 HB3 ASN 598 HB1 ASN 598 70.001 6.639 -2.020 1216 HD21 ASN 598 HD21 ASN 598 67.592 5.605 -2.182 1217 HD22 ASN 598 HD22 ASN 598 66.372 6.772 -2.301 1218 H CYS 599 HN CYS 599 69.750 6.990 2.110 1219 HA CYS 599 HA CYS 599 72.644 6.599 2.235 1220 HB2 CYS 599 HB2 CYS 599 70.609 7.860 4.084 1221 HB3 CYS 599 HB1 CYS 599 72.291 7.650 4.553 1222 H PHE 600 HN PHE 600 70.009 5.756 4.527 1223 HA PHE 600 HA PHE 600 71.463 3.892 6.043 1224 HB2 PHE 600 HB2 PHE 600 69.460 4.269 7.095 1225 HB3 PHE 600 HB1 PHE 600 68.612 4.542 5.582 1226 HD1 PHE 600 HD1 PHE 600 67.722 2.621 4.283 1227 HD2 PHE 600 HD2 PHE 600 69.515 2.097 8.146 1228 HE1 PHE 600 HE1 PHE 600 66.711 0.363 4.443 1229 HE2 PHE 600 HE2 PHE 600 68.501 -0.160 8.309 1230 HZ PHE 600 HZ PHE 600 67.101 -1.028 6.458 1231 H LEU 601 HN LEU 601 69.302 3.173 3.264 1232 HA LEU 601 HA LEU 601 69.691 0.418 3.178 1233 HB2 LEU 601 HB2 LEU 601 68.484 0.599 1.257 1234 HB3 LEU 601 HB1 LEU 601 68.508 2.329 1.542 1235 HG LEU 601 HG LEU 601 70.641 2.439 0.174 1236 HD11 LEU 601 HD11 LEU 601 70.370 0.083 -1.394 1237 HD12 LEU 601 HD12 LEU 601 70.343 -0.459 0.280 1238 HD13 LEU 601 HD13 LEU 601 71.695 0.496 -0.313 1239 HD21 LEU 601 HD21 LEU 601 69.481 2.471 -1.906 1240 HD22 LEU 601 HD22 LEU 601 68.257 2.830 -0.696 1241 HD23 LEU 601 HD23 LEU 601 68.360 1.215 -1.387 1242 H LYS 602 HN LYS 602 71.807 2.952 1.873 1243 HA LYS 602 HA LYS 602 73.692 1.203 0.676 1244 HB2 LYS 602 HB2 LYS 602 73.529 3.763 0.475 1245 HB3 LYS 602 HB1 LYS 602 74.415 3.818 1.991 1246 HG2 LYS 602 HG2 LYS 602 76.116 3.950 0.402 1247 HG3 LYS 602 HG1 LYS 602 76.108 2.235 0.789 1248 HD2 LYS 602 HD2 LYS 602 74.432 2.075 -1.236 1249 HD3 LYS 602 HD1 LYS 602 75.087 3.645 -1.669 1250 HE2 LYS 602 HE2 LYS 602 77.387 2.672 -1.613 1251 HE3 LYS 602 HE1 LYS 602 76.683 1.099 -1.248 1252 HZ1 LYS 602 HZ1 LYS 602 75.577 1.061 -3.323 1253 HZ2 LYS 602 HZ2 LYS 602 77.184 1.507 -3.644 1254 HZ3 LYS 602 HZ3 LYS 602 75.958 2.682 -3.647 1255 H LEU 603 HN LEU 603 73.086 1.868 4.019 1256 HA LEU 603 HA LEU 603 75.756 0.875 4.832 1257 HB2 LEU 603 HB2 LEU 603 73.499 1.478 6.730 1258 HB3 LEU 603 HB1 LEU 603 75.240 1.608 6.996 1259 HG LEU 603 HG LEU 603 73.549 3.363 5.212 1260 HD11 LEU 603 HD11 LEU 603 73.930 5.093 6.757 1261 HD12 LEU 603 HD12 LEU 603 75.263 4.233 7.529 1262 HD13 LEU 603 HD13 LEU 603 73.599 3.692 7.775 1263 HD21 LEU 603 HD21 LEU 603 75.760 4.633 4.975 1264 HD22 LEU 603 HD22 LEU 603 75.632 3.119 4.085 1265 HD23 LEU 603 HD23 LEU 603 76.538 3.177 5.595 1266 H PHE 604 HN PHE 604 72.356 -0.060 5.540 1267 HA PHE 604 HA PHE 604 73.332 -2.763 6.303 1268 HB2 PHE 604 HB2 PHE 604 70.778 -1.221 6.678 1269 HB3 PHE 604 HB1 PHE 604 70.695 -2.982 6.707 1270 HD1 PHE 604 HD1 PHE 604 73.350 -0.615 7.923 1271 HD2 PHE 604 HD2 PHE 604 70.470 -3.635 8.950 1272 HE1 PHE 604 HE1 PHE 604 74.188 -0.623 10.254 1273 HE2 PHE 604 HE2 PHE 604 71.310 -3.640 11.283 1274 HZ PHE 604 HZ PHE 604 73.169 -2.135 11.934 1275 H CYS 605 HN CYS 605 72.812 -1.408 3.442 1276 HA CYS 605 HA CYS 605 72.138 -3.958 2.186 1277 HB2 CYS 605 HB2 CYS 605 70.177 -1.677 2.263 1278 HB3 CYS 605 HB1 CYS 605 70.227 -2.734 0.852 1279 HG CYS 605 HG CYS 605 69.863 -3.989 3.686 Start of MODEL 10 1 H MET 1 HT1 MET 1 96.666 -31.565 18.414 2 HA MET 1 HA MET 1 96.357 -32.516 16.038 3 HB2 MET 1 HB2 MET 1 94.651 -31.487 17.650 4 HB3 MET 1 HB1 MET 1 94.876 -29.982 16.762 5 HG2 MET 1 HG2 MET 1 94.319 -31.208 14.650 6 HG3 MET 1 HG1 MET 1 93.965 -32.638 15.617 7 HE1 MET 1 HE1 MET 1 92.411 -31.131 18.321 8 HE2 MET 1 HE2 MET 1 92.615 -32.694 17.534 9 HE3 MET 1 HE3 MET 1 91.009 -31.979 17.654 10 H ALA 2 HN ALA 2 95.294 -29.460 15.140 11 HA ALA 2 HA ALA 2 97.782 -28.762 13.662 12 HB1 ALA 2 HB1 ALA 2 96.158 -28.473 11.595 13 HB2 ALA 2 HB2 ALA 2 95.185 -29.674 12.445 14 HB3 ALA 2 HB3 ALA 2 96.833 -30.062 11.958 15 H LEU 3 HN LEU 3 94.381 -28.003 14.309 16 HA LEU 3 HA LEU 3 94.472 -25.238 13.643 17 HB2 LEU 3 HB2 LEU 3 92.834 -26.717 15.689 18 HB3 LEU 3 HB1 LEU 3 92.482 -25.106 15.063 19 HG LEU 3 HG LEU 3 92.561 -26.226 12.708 20 HD11 LEU 3 HD11 LEU 3 91.580 -28.687 13.061 21 HD12 LEU 3 HD12 LEU 3 92.564 -28.622 14.520 22 HD13 LEU 3 HD13 LEU 3 93.309 -28.399 12.939 23 HD21 LEU 3 HD21 LEU 3 90.541 -25.341 13.645 24 HD22 LEU 3 HD22 LEU 3 90.367 -26.735 14.711 25 HD23 LEU 3 HD23 LEU 3 90.171 -26.927 12.969 26 H ASP 4 HN ASP 4 94.207 -26.645 16.866 27 HA ASP 4 HA ASP 4 95.333 -24.279 18.087 28 HB2 ASP 4 HB2 ASP 4 93.639 -25.664 19.243 29 HB3 ASP 4 HB1 ASP 4 94.778 -27.012 19.264 30 H GLY 5 HN GLY 5 96.860 -26.155 16.172 31 HA2 GLY 5 HA2 GLY 5 99.004 -27.394 17.608 32 HA3 GLY 5 HA1 GLY 5 99.085 -26.846 15.929 33 H ILE 6 HN ILE 6 98.100 -24.219 17.127 34 HA ILE 6 HA ILE 6 100.800 -23.139 17.826 35 HB ILE 6 HB ILE 6 99.197 -20.972 17.073 36 HG12 ILE 6 HG12 ILE 6 97.480 -22.719 16.366 37 HG13 ILE 6 HG11 ILE 6 97.945 -21.543 15.143 38 HG21 ILE 6 HG21 ILE 6 101.452 -21.189 16.331 39 HG22 ILE 6 HG22 ILE 6 100.437 -21.122 14.891 40 HG23 ILE 6 HG23 ILE 6 101.080 -22.669 15.446 41 HD11 ILE 6 HD11 ILE 6 99.653 -23.947 15.101 42 HD12 ILE 6 HD12 ILE 6 98.791 -23.152 13.788 43 HD13 ILE 6 HD13 ILE 6 97.950 -24.300 14.824 44 H ARG 7 HN ARG 7 97.858 -21.294 18.237 45 HA ARG 7 HA ARG 7 97.696 -21.909 21.110 46 HB2 ARG 7 HB2 ARG 7 97.907 -19.420 21.628 47 HB3 ARG 7 HB1 ARG 7 99.392 -20.273 21.228 48 HG2 ARG 7 HG2 ARG 7 97.999 -19.099 18.878 49 HG3 ARG 7 HG1 ARG 7 98.607 -17.922 20.037 50 HD2 ARG 7 HD2 ARG 7 100.846 -18.719 19.820 51 HD3 ARG 7 HD1 ARG 7 100.319 -20.165 18.962 52 HE ARG 7 HE ARG 7 99.441 -18.091 17.352 53 HH11 ARG 7 HH11 ARG 7 100.700 -17.204 15.702 54 HH12 ARG 7 HH12 ARG 7 102.426 -17.325 15.786 55 HH21 ARG 7 HH21 ARG 7 102.424 -19.048 18.795 56 HH22 ARG 7 HH22 ARG 7 103.402 -18.369 17.538 57 H MET 8 HN MET 8 96.632 -18.797 19.972 58 HA MET 8 HA MET 8 93.943 -19.843 19.329 59 HB2 MET 8 HB2 MET 8 93.420 -17.722 21.169 60 HB3 MET 8 HB1 MET 8 93.053 -19.423 21.357 61 HG2 MET 8 HG2 MET 8 95.166 -19.883 22.387 62 HG3 MET 8 HG1 MET 8 95.792 -18.287 22.026 63 HE1 MET 8 HE1 MET 8 95.662 -17.980 25.732 64 HE2 MET 8 HE2 MET 8 96.536 -18.585 24.326 65 HE3 MET 8 HE3 MET 8 95.503 -19.674 25.248 66 HA PRO 9 HA PRO 9 93.956 -15.024 18.180 67 HB2 PRO 9 HB2 PRO 9 96.968 -14.870 18.198 68 HB3 PRO 9 HB1 PRO 9 95.780 -13.558 18.386 69 HG2 PRO 9 HG2 PRO 9 96.986 -14.532 20.502 70 HG3 PRO 9 HG1 PRO 9 95.244 -14.198 20.540 71 HD2 PRO 9 HD2 PRO 9 96.630 -16.843 20.389 72 HD3 PRO 9 HD1 PRO 9 95.114 -16.398 21.166 73 H ASP 10 HN ASP 10 96.506 -17.278 17.479 74 HA ASP 10 HA ASP 10 96.054 -16.982 14.526 75 HB2 ASP 10 HB2 ASP 10 98.391 -16.564 15.543 76 HB3 ASP 10 HB1 ASP 10 98.443 -18.303 15.824 77 H GLY 11 HN GLY 11 96.039 -19.103 17.256 78 HA2 GLY 11 HA2 GLY 11 95.672 -21.516 15.596 79 HA3 GLY 11 HA1 GLY 11 95.750 -21.467 17.352 80 H CYS 12 HN CYS 12 93.715 -19.045 16.250 81 HA CYS 12 HA CYS 12 91.307 -20.628 15.881 82 HB2 CYS 12 HB2 CYS 12 91.491 -20.979 18.258 83 HB3 CYS 12 HB1 CYS 12 91.816 -19.268 18.533 84 HG CYS 12 HG CYS 12 89.268 -19.656 18.984 85 H TYR 13 HN TYR 13 92.841 -17.506 16.460 86 HA TYR 13 HA TYR 13 92.213 -15.349 15.851 87 HB2 TYR 13 HB2 TYR 13 90.809 -16.988 13.720 88 HB3 TYR 13 HB1 TYR 13 90.866 -15.229 13.712 89 HD1 TYR 13 HD1 TYR 13 92.780 -18.318 13.233 90 HD2 TYR 13 HD2 TYR 13 92.995 -14.031 13.390 91 HE1 TYR 13 HE1 TYR 13 95.011 -18.391 12.154 92 HE2 TYR 13 HE2 TYR 13 95.227 -14.104 12.311 93 HH TYR 13 HH TYR 13 97.159 -16.030 12.212 94 H ALA 14 HN ALA 14 89.220 -16.221 14.473 95 HA ALA 14 HA ALA 14 87.375 -16.598 16.441 96 HB1 ALA 14 HB1 ALA 14 87.901 -14.880 17.914 97 HB2 ALA 14 HB2 ALA 14 86.794 -13.996 16.865 98 HB3 ALA 14 HB3 ALA 14 88.538 -13.848 16.636 99 H ASP 15 HN ASP 15 88.201 -14.324 13.881 100 HA ASP 15 HA ASP 15 85.959 -15.246 12.290 101 HB2 ASP 15 HB2 ASP 15 84.967 -13.594 13.959 102 HB3 ASP 15 HB1 ASP 15 85.916 -12.354 13.140 103 H GLY 16 HN GLY 16 88.994 -14.278 12.456 104 HA2 GLY 16 HA2 GLY 16 90.524 -13.704 10.744 105 HA3 GLY 16 HA1 GLY 16 89.157 -13.583 9.628 106 H THR 17 HN THR 17 89.730 -11.962 12.718 107 HA THR 17 HA THR 17 88.820 -9.436 11.644 108 HB THR 17 HB THR 17 89.770 -8.666 14.001 109 HG1 THR 17 HG1 THR 17 90.861 -10.302 14.773 110 HG21 THR 17 HG21 THR 17 87.711 -9.768 15.072 111 HG22 THR 17 HG22 THR 17 87.412 -10.477 13.485 112 HG23 THR 17 HG23 THR 17 87.426 -8.723 13.680 113 H TRP 18 HN TRP 18 89.997 -8.050 10.551 114 HA TRP 18 HA TRP 18 92.859 -7.629 11.177 115 HB2 TRP 18 HB2 TRP 18 92.848 -7.365 8.431 116 HB3 TRP 18 HB1 TRP 18 93.406 -8.792 9.284 117 HD1 TRP 18 HD1 TRP 18 89.797 -7.600 8.484 118 HE1 TRP 18 HE1 TRP 18 88.571 -9.545 7.326 119 HE3 TRP 18 HE3 TRP 18 93.583 -11.019 8.263 120 HZ2 TRP 18 HZ2 TRP 18 89.122 -12.203 6.424 121 HZ3 TRP 18 HZ3 TRP 18 93.205 -13.248 7.249 122 HH2 TRP 18 HH2 TRP 18 90.981 -13.844 6.329 123 H GLU 19 HN GLU 19 93.114 -5.440 11.467 124 HA GLU 19 HA GLU 19 90.918 -3.675 10.798 125 HB2 GLU 19 HB2 GLU 19 93.102 -1.997 11.413 126 HB3 GLU 19 HB1 GLU 19 91.836 -2.513 12.518 127 HG2 GLU 19 HG2 GLU 19 94.093 -2.992 13.384 128 HG3 GLU 19 HG1 GLU 19 93.137 -4.457 13.156 129 H LEU 20 HN LEU 20 90.608 -2.464 9.049 130 HA LEU 20 HA LEU 20 92.528 -2.711 6.846 131 HB2 LEU 20 HB2 LEU 20 89.729 -2.414 7.032 132 HB3 LEU 20 HB1 LEU 20 90.269 -0.870 6.391 133 HG LEU 20 HG LEU 20 89.832 -2.235 4.505 134 HD11 LEU 20 HD11 LEU 20 92.772 -2.758 4.627 135 HD12 LEU 20 HD12 LEU 20 92.220 -1.088 4.736 136 HD13 LEU 20 HD13 LEU 20 91.791 -2.074 3.339 137 HD21 LEU 20 HD21 LEU 20 91.142 -4.393 6.140 138 HD22 LEU 20 HD22 LEU 20 91.147 -4.529 4.387 139 HD23 LEU 20 HD23 LEU 20 89.621 -4.424 5.255 140 H SER 21 HN SER 21 93.986 -1.142 6.333 141 HA SER 21 HA SER 21 94.235 1.160 8.116 142 HB2 SER 21 HB2 SER 21 96.089 -0.270 6.849 143 HB3 SER 21 HB1 SER 21 95.801 0.918 5.575 144 HG SER 21 HG SER 21 97.413 1.641 6.995 145 H VAL 22 HN VAL 22 93.974 3.305 7.580 146 HA VAL 22 HA VAL 22 92.794 3.883 4.907 147 HB VAL 22 HB VAL 22 91.636 4.705 7.588 148 HG11 VAL 22 HG11 VAL 22 91.227 5.990 4.866 149 HG12 VAL 22 HG12 VAL 22 91.761 6.785 6.353 150 HG13 VAL 22 HG13 VAL 22 90.116 6.188 6.222 151 HG21 VAL 22 HG21 VAL 22 90.898 2.620 6.361 152 HG22 VAL 22 HG22 VAL 22 90.363 3.681 5.047 153 HG23 VAL 22 HG23 VAL 22 89.626 3.809 6.654 154 H HIS 23 HN HIS 23 92.974 6.013 4.241 155 HA HIS 23 HA HIS 23 94.995 7.709 5.645 156 HB2 HIS 23 HB2 HIS 23 94.831 6.762 2.783 157 HB3 HIS 23 HB1 HIS 23 95.477 8.370 3.107 158 HD1 HIS 23 HD1 HIS 23 96.031 4.804 4.364 159 HD2 HIS 23 HD2 HIS 23 98.180 8.309 3.680 160 HE1 HIS 23 HE1 HIS 23 98.452 4.268 4.872 161 H VAL 24 HN VAL 24 93.413 9.072 6.453 162 HA VAL 24 HA VAL 24 91.097 9.801 4.877 163 HB VAL 24 HB VAL 24 92.197 11.280 7.268 164 HG11 VAL 24 HG11 VAL 24 89.851 11.837 7.627 165 HG12 VAL 24 HG12 VAL 24 89.369 10.791 6.296 166 HG13 VAL 24 HG13 VAL 24 90.284 12.263 5.973 167 HG21 VAL 24 HG21 VAL 24 90.789 9.717 8.614 168 HG22 VAL 24 HG22 VAL 24 92.136 8.904 7.818 169 HG23 VAL 24 HG23 VAL 24 90.508 8.766 7.156 170 H THR 25 HN THR 25 91.792 10.708 2.917 171 HA THR 25 HA THR 25 93.834 12.726 2.764 172 HB THR 25 HB THR 25 93.422 12.749 0.501 173 HG1 THR 25 HG1 THR 25 90.989 12.383 -0.056 174 HG21 THR 25 HG21 THR 25 91.578 10.430 1.105 175 HG22 THR 25 HG22 THR 25 93.325 10.323 1.302 176 HG23 THR 25 HG23 THR 25 92.636 10.640 -0.289 177 H ASP 26 HN ASP 26 93.242 15.054 2.000 178 HA ASP 26 HA ASP 26 92.129 17.086 2.435 179 HB2 ASP 26 HB2 ASP 26 89.810 15.692 3.761 180 HB3 ASP 26 HB1 ASP 26 89.813 17.108 2.712 181 H LEU 27 HN LEU 27 91.802 14.556 4.895 182 HA LEU 27 HA LEU 27 92.341 16.480 7.075 183 HB2 LEU 27 HB2 LEU 27 90.723 14.294 7.004 184 HB3 LEU 27 HB1 LEU 27 92.183 13.526 7.552 185 HG LEU 27 HG LEU 27 92.291 14.984 9.495 186 HD11 LEU 27 HD11 LEU 27 89.990 16.373 9.784 187 HD12 LEU 27 HD12 LEU 27 90.177 16.484 8.034 188 HD13 LEU 27 HD13 LEU 27 91.452 17.071 9.100 189 HD21 LEU 27 HD21 LEU 27 89.443 14.002 9.204 190 HD22 LEU 27 HD22 LEU 27 90.408 14.088 10.678 191 HD23 LEU 27 HD23 LEU 27 90.811 12.912 9.427 192 H ASN 28 HN ASN 28 93.681 13.863 5.236 193 HA ASN 28 HA ASN 28 95.885 13.194 4.903 194 HB2 ASN 28 HB2 ASN 28 96.356 15.718 5.266 195 HB3 ASN 28 HB1 ASN 28 96.839 15.258 6.893 196 HD21 ASN 28 HD21 ASN 28 97.653 12.545 5.611 197 HD22 ASN 28 HD22 ASN 28 99.197 12.864 4.988 198 H ARG 29 HN ARG 29 94.052 12.701 7.525 199 HA ARG 29 HA ARG 29 96.190 11.715 9.292 200 HB2 ARG 29 HB2 ARG 29 93.174 11.587 9.429 201 HB3 ARG 29 HB1 ARG 29 94.245 10.905 10.656 202 HG2 ARG 29 HG2 ARG 29 95.242 13.096 11.048 203 HG3 ARG 29 HG1 ARG 29 94.253 13.798 9.777 204 HD2 ARG 29 HD2 ARG 29 92.966 14.329 11.646 205 HD3 ARG 29 HD1 ARG 29 92.264 12.772 11.202 206 HE ARG 29 HE ARG 29 94.495 12.528 13.065 207 HH11 ARG 29 HH11 ARG 29 93.949 11.798 15.135 208 HH12 ARG 29 HH12 ARG 29 92.289 11.805 15.630 209 HH21 ARG 29 HH21 ARG 29 91.124 13.099 12.630 210 HH22 ARG 29 HH22 ARG 29 90.688 12.541 14.210 211 H ASP 30 HN ASP 30 95.552 9.408 10.158 212 HA ASP 30 HA ASP 30 94.784 7.594 7.964 213 HB2 ASP 30 HB2 ASP 30 97.446 7.567 9.404 214 HB3 ASP 30 HB1 ASP 30 96.789 6.128 8.622 215 H VAL 31 HN VAL 31 93.348 6.219 8.789 216 HA VAL 31 HA VAL 31 93.529 5.532 11.722 217 HB VAL 31 HB VAL 31 90.972 5.858 10.164 218 HG11 VAL 31 HG11 VAL 31 91.660 5.815 13.115 219 HG12 VAL 31 HG12 VAL 31 90.827 4.543 12.220 220 HG13 VAL 31 HG13 VAL 31 90.047 6.107 12.465 221 HG21 VAL 31 HG21 VAL 31 90.809 8.106 11.280 222 HG22 VAL 31 HG22 VAL 31 92.123 8.025 10.107 223 HG23 VAL 31 HG23 VAL 31 92.472 7.912 11.831 224 H THR 32 HN THR 32 92.568 3.484 12.308 225 HA THR 32 HA THR 32 92.415 1.518 10.048 226 HB THR 32 HB THR 32 93.209 0.191 12.488 227 HG1 THR 32 HG1 THR 32 94.485 2.629 11.934 228 HG21 THR 32 HG21 THR 32 95.096 0.863 10.240 229 HG22 THR 32 HG22 THR 32 93.778 -0.284 9.990 230 HG23 THR 32 HG23 THR 32 95.008 -0.608 11.209 231 H LEU 33 HN LEU 33 90.707 0.077 10.143 232 HA LEU 33 HA LEU 33 88.786 0.351 12.427 233 HB2 LEU 33 HB2 LEU 33 88.471 0.350 9.463 234 HB3 LEU 33 HB1 LEU 33 87.226 -0.485 10.364 235 HG LEU 33 HG LEU 33 86.821 1.978 9.823 236 HD11 LEU 33 HD11 LEU 33 85.600 0.626 11.551 237 HD12 LEU 33 HD12 LEU 33 85.646 2.359 11.866 238 HD13 LEU 33 HD13 LEU 33 86.710 1.275 12.758 239 HD21 LEU 33 HD21 LEU 33 89.228 2.581 10.551 240 HD22 LEU 33 HD22 LEU 33 88.603 2.520 12.199 241 HD23 LEU 33 HD23 LEU 33 87.930 3.648 11.055 242 H ARG 34 HN ARG 34 88.866 -1.460 13.601 243 HA ARG 34 HA ARG 34 89.848 -3.979 12.746 244 HB2 ARG 34 HB2 ARG 34 89.537 -3.217 15.143 245 HB3 ARG 34 HB1 ARG 34 87.811 -3.492 14.928 246 HG2 ARG 34 HG2 ARG 34 88.719 -5.484 15.927 247 HG3 ARG 34 HG1 ARG 34 88.346 -5.853 14.246 248 HD2 ARG 34 HD2 ARG 34 90.578 -5.975 13.630 249 HD3 ARG 34 HD1 ARG 34 91.112 -4.886 14.910 250 HE ARG 34 HE ARG 34 90.872 -7.761 15.128 251 HH11 ARG 34 HH11 ARG 34 91.284 -8.649 17.165 252 HH12 ARG 34 HH12 ARG 34 91.275 -7.623 18.561 253 HH21 ARG 34 HH21 ARG 34 90.539 -4.747 16.770 254 HH22 ARG 34 HH22 ARG 34 90.854 -5.415 18.337 255 H VAL 35 HN VAL 35 88.925 -4.870 10.953 256 HA VAL 35 HA VAL 35 85.951 -5.288 10.968 257 HB VAL 35 HB VAL 35 86.107 -5.120 8.467 258 HG11 VAL 35 HG11 VAL 35 86.860 -2.779 10.227 259 HG12 VAL 35 HG12 VAL 35 85.262 -3.203 9.606 260 HG13 VAL 35 HG13 VAL 35 86.497 -2.581 8.511 261 HG21 VAL 35 HG21 VAL 35 88.115 -4.045 7.523 262 HG22 VAL 35 HG22 VAL 35 88.527 -5.579 8.288 263 HG23 VAL 35 HG23 VAL 35 88.875 -4.062 9.113 264 H THR 36 HN THR 36 85.687 -6.850 8.830 265 HA THR 36 HA THR 36 87.590 -9.118 9.026 266 HB THR 36 HB THR 36 85.441 -10.611 9.103 267 HG1 THR 36 HG1 THR 36 83.719 -9.618 10.135 268 HG21 THR 36 HG21 THR 36 86.515 -9.065 11.461 269 HG22 THR 36 HG22 THR 36 86.982 -10.678 10.921 270 HG23 THR 36 HG23 THR 36 85.391 -10.413 11.631 271 H GLY 37 HN GLY 37 87.049 -10.688 7.184 272 HA2 GLY 37 HA2 GLY 37 86.563 -9.112 4.796 273 HA3 GLY 37 HA1 GLY 37 86.924 -10.832 4.821 274 H GLU 38 HN GLU 38 84.339 -8.924 6.304 275 HA GLU 38 HA GLU 38 82.328 -10.136 4.545 276 HB2 GLU 38 HB2 GLU 38 81.091 -11.217 6.275 277 HB3 GLU 38 HB1 GLU 38 82.752 -11.768 6.448 278 HG2 GLU 38 HG2 GLU 38 82.307 -11.200 8.660 279 HG3 GLU 38 HG1 GLU 38 82.917 -9.655 8.070 280 H VAL 39 HN VAL 39 83.520 -7.510 6.161 281 HA VAL 39 HA VAL 39 80.960 -6.379 7.014 282 HB VAL 39 HB VAL 39 82.174 -4.469 7.687 283 HG11 VAL 39 HG11 VAL 39 84.142 -6.731 7.963 284 HG12 VAL 39 HG12 VAL 39 82.654 -6.617 8.900 285 HG13 VAL 39 HG13 VAL 39 83.896 -5.377 9.068 286 HG21 VAL 39 HG21 VAL 39 83.412 -3.890 5.721 287 HG22 VAL 39 HG22 VAL 39 84.314 -5.409 5.771 288 HG23 VAL 39 HG23 VAL 39 84.603 -4.171 6.989 289 H HIS 40 HN HIS 40 79.726 -4.933 5.856 290 HA HIS 40 HA HIS 40 80.215 -4.820 2.971 291 HB2 HIS 40 HB2 HIS 40 78.092 -3.139 4.269 292 HB3 HIS 40 HB1 HIS 40 78.029 -4.080 2.777 293 HD1 HIS 40 HD1 HIS 40 77.870 -4.495 6.534 294 HD2 HIS 40 HD2 HIS 40 77.131 -6.720 3.087 295 HE1 HIS 40 HE1 HIS 40 76.731 -6.627 7.289 296 H ILE 41 HN ILE 41 80.916 -3.012 1.817 297 HA ILE 41 HA ILE 41 82.699 -1.185 2.930 298 HB ILE 41 HB ILE 41 80.814 -0.631 0.618 299 HG12 ILE 41 HG12 ILE 41 83.621 -1.775 0.537 300 HG13 ILE 41 HG11 ILE 41 82.161 -2.764 0.511 301 HG21 ILE 41 HG21 ILE 41 81.890 1.404 1.228 302 HG22 ILE 41 HG22 ILE 41 82.815 0.766 -0.138 303 HG23 ILE 41 HG23 ILE 41 83.429 0.590 1.512 304 HD11 ILE 41 HD11 ILE 41 82.365 -0.504 -1.445 305 HD12 ILE 41 HD12 ILE 41 81.534 -2.049 -1.593 306 HD13 ILE 41 HD13 ILE 41 83.287 -1.975 -1.756 307 H GLY 42 HN GLY 42 79.289 -0.457 2.142 308 HA2 GLY 42 HA2 GLY 42 79.245 2.072 3.392 309 HA3 GLY 42 HA1 GLY 42 77.828 1.083 3.124 310 H GLY 43 HN GLY 43 79.615 -0.970 4.752 311 HA2 GLY 43 HA2 GLY 43 78.273 -0.376 7.304 312 HA3 GLY 43 HA1 GLY 43 79.294 -1.780 6.954 313 H VAL 44 HN VAL 44 81.251 0.002 5.714 314 HA VAL 44 HA VAL 44 82.922 0.469 8.031 315 HB VAL 44 HB VAL 44 83.269 -0.056 5.324 316 HG11 VAL 44 HG11 VAL 44 82.953 2.189 4.546 317 HG12 VAL 44 HG12 VAL 44 84.668 1.829 4.463 318 HG13 VAL 44 HG13 VAL 44 84.046 2.837 5.753 319 HG21 VAL 44 HG21 VAL 44 85.652 0.100 5.778 320 HG22 VAL 44 HG22 VAL 44 84.788 -0.636 7.129 321 HG23 VAL 44 HG23 VAL 44 85.327 1.046 7.234 322 H MET 45 HN MET 45 81.541 2.688 5.540 323 HA MET 45 HA MET 45 82.321 5.135 6.614 324 HB2 MET 45 HB2 MET 45 79.488 4.660 5.650 325 HB3 MET 45 HB1 MET 45 80.429 6.144 5.545 326 HG2 MET 45 HG2 MET 45 82.057 4.843 4.068 327 HG3 MET 45 HG1 MET 45 80.826 3.592 3.982 328 HE1 MET 45 HE1 MET 45 78.380 4.170 3.676 329 HE2 MET 45 HE2 MET 45 78.705 3.842 1.973 330 HE3 MET 45 HE3 MET 45 77.783 5.277 2.437 331 H LEU 46 HN LEU 46 79.857 2.930 7.767 332 HA LEU 46 HA LEU 46 78.681 4.762 9.660 333 HB2 LEU 46 HB2 LEU 46 77.621 2.662 8.727 334 HB3 LEU 46 HB1 LEU 46 78.684 1.736 9.778 335 HG LEU 46 HG LEU 46 77.260 3.890 11.240 336 HD11 LEU 46 HD11 LEU 46 75.372 3.545 9.880 337 HD12 LEU 46 HD12 LEU 46 75.092 2.472 11.250 338 HD13 LEU 46 HD13 LEU 46 75.680 1.813 9.721 339 HD21 LEU 46 HD21 LEU 46 76.806 2.030 12.800 340 HD22 LEU 46 HD22 LEU 46 78.506 2.057 12.333 341 HD23 LEU 46 HD23 LEU 46 77.413 0.878 11.610 342 H LYS 47 HN LYS 47 81.481 2.583 9.847 343 HA LYS 47 HA LYS 47 81.571 2.907 12.791 344 HB2 LYS 47 HB2 LYS 47 83.610 1.616 10.962 345 HB3 LYS 47 HB1 LYS 47 83.501 1.435 12.714 346 HG2 LYS 47 HG2 LYS 47 81.193 0.474 12.384 347 HG3 LYS 47 HG1 LYS 47 81.503 0.507 10.653 348 HD2 LYS 47 HD2 LYS 47 83.754 -0.800 11.509 349 HD3 LYS 47 HD1 LYS 47 82.600 -1.327 12.732 350 HE2 LYS 47 HE2 LYS 47 82.254 -1.582 9.728 351 HE3 LYS 47 HE1 LYS 47 82.627 -2.897 10.842 352 HZ1 LYS 47 HZ1 LYS 47 80.450 -1.836 11.977 353 HZ2 LYS 47 HZ2 LYS 47 80.410 -3.132 10.877 354 HZ3 LYS 47 HZ3 LYS 47 80.113 -1.548 10.339 355 H LEU 48 HN LEU 48 83.953 3.619 10.167 356 HA LEU 48 HA LEU 48 85.786 5.037 11.692 357 HB2 LEU 48 HB2 LEU 48 85.466 4.633 9.015 358 HB3 LEU 48 HB1 LEU 48 85.087 6.339 9.084 359 HG LEU 48 HG LEU 48 87.515 5.816 10.658 360 HD11 LEU 48 HD11 LEU 48 87.982 5.255 7.746 361 HD12 LEU 48 HD12 LEU 48 87.548 3.925 8.808 362 HD13 LEU 48 HD13 LEU 48 88.991 4.872 9.136 363 HD21 LEU 48 HD21 LEU 48 86.897 7.473 8.218 364 HD22 LEU 48 HD22 LEU 48 88.489 7.434 8.969 365 HD23 LEU 48 HD23 LEU 48 87.092 8.021 9.880 366 H VAL 49 HN VAL 49 83.002 6.504 10.037 367 HA VAL 49 HA VAL 49 83.221 9.106 11.075 368 HB VAL 49 HB VAL 49 80.732 7.485 10.484 369 HG11 VAL 49 HG11 VAL 49 81.119 10.417 11.123 370 HG12 VAL 49 HG12 VAL 49 80.020 9.275 11.898 371 HG13 VAL 49 HG13 VAL 49 79.708 9.820 10.249 372 HG21 VAL 49 HG21 VAL 49 82.190 9.619 8.894 373 HG22 VAL 49 HG22 VAL 49 80.775 8.708 8.365 374 HG23 VAL 49 HG23 VAL 49 82.318 7.885 8.598 375 H GLU 50 HN GLU 50 81.400 6.356 12.540 376 HA GLU 50 HA GLU 50 80.437 7.638 14.823 377 HB2 GLU 50 HB2 GLU 50 81.519 4.837 14.478 378 HB3 GLU 50 HB1 GLU 50 80.846 5.384 16.010 379 HG2 GLU 50 HG2 GLU 50 79.330 5.678 13.421 380 HG3 GLU 50 HG1 GLU 50 79.238 4.205 14.382 381 H LYS 51 HN LYS 51 83.714 6.376 14.286 382 HA LYS 51 HA LYS 51 84.666 6.982 16.928 383 HB2 LYS 51 HB2 LYS 51 86.135 6.666 14.297 384 HB3 LYS 51 HB1 LYS 51 86.915 6.754 15.874 385 HG2 LYS 51 HG2 LYS 51 85.799 4.746 16.620 386 HG3 LYS 51 HG1 LYS 51 84.804 4.703 15.164 387 HD2 LYS 51 HD2 LYS 51 86.627 4.123 13.782 388 HD3 LYS 51 HD1 LYS 51 87.812 4.630 14.983 389 HE2 LYS 51 HE2 LYS 51 87.056 2.775 16.467 390 HE3 LYS 51 HE1 LYS 51 85.959 2.241 15.195 391 HZ1 LYS 51 HZ1 LYS 51 88.755 1.801 15.459 392 HZ2 LYS 51 HZ2 LYS 51 88.398 2.543 13.974 393 HZ3 LYS 51 HZ3 LYS 51 87.650 1.077 14.395 394 H LEU 52 HN LEU 52 84.617 8.829 13.881 395 HA LEU 52 HA LEU 52 86.187 10.998 14.833 396 HB2 LEU 52 HB2 LEU 52 84.888 10.197 12.438 397 HB3 LEU 52 HB1 LEU 52 84.201 11.756 12.838 398 HG LEU 52 HG LEU 52 86.116 12.111 11.436 399 HD11 LEU 52 HD11 LEU 52 87.040 13.820 12.647 400 HD12 LEU 52 HD12 LEU 52 87.388 12.801 14.041 401 HD13 LEU 52 HD13 LEU 52 85.755 13.412 13.781 402 HD21 LEU 52 HD21 LEU 52 87.996 10.840 13.410 403 HD22 LEU 52 HD22 LEU 52 88.211 11.119 11.685 404 HD23 LEU 52 HD23 LEU 52 87.161 9.819 12.239 405 H ASP 53 HN ASP 53 82.705 11.053 14.141 406 HA ASP 53 HA ASP 53 80.911 11.905 15.350 407 HB2 ASP 53 HB2 ASP 53 82.406 10.949 17.266 408 HB3 ASP 53 HB1 ASP 53 82.726 12.633 17.617 409 H VAL 54 HN VAL 54 80.964 13.575 13.776 410 HA VAL 54 HA VAL 54 81.188 16.200 14.945 411 HB VAL 54 HB VAL 54 83.514 15.966 14.629 412 HG11 VAL 54 HG11 VAL 54 84.464 15.223 12.438 413 HG12 VAL 54 HG12 VAL 54 82.824 14.843 11.906 414 HG13 VAL 54 HG13 VAL 54 83.534 13.975 13.272 415 HG21 VAL 54 HG21 VAL 54 84.038 17.683 13.023 416 HG22 VAL 54 HG22 VAL 54 82.447 18.077 13.675 417 HG23 VAL 54 HG23 VAL 54 82.588 17.332 12.083 418 H LYS 55 HN LYS 55 80.262 17.813 13.617 419 HA LYS 55 HA LYS 55 78.297 16.849 11.760 420 HB2 LYS 55 HB2 LYS 55 78.808 19.228 13.208 421 HB3 LYS 55 HB1 LYS 55 78.837 19.718 11.526 422 HG2 LYS 55 HG2 LYS 55 76.540 17.974 12.366 423 HG3 LYS 55 HG1 LYS 55 76.557 19.610 12.980 424 HD2 LYS 55 HD2 LYS 55 76.868 20.427 10.604 425 HD3 LYS 55 HD1 LYS 55 76.587 18.772 10.070 426 HE2 LYS 55 HE2 LYS 55 74.455 19.789 9.952 427 HE3 LYS 55 HE1 LYS 55 74.412 18.902 11.476 428 HZ1 LYS 55 HZ1 LYS 55 73.827 21.500 11.229 429 HZ2 LYS 55 HZ2 LYS 55 75.470 21.588 11.652 430 HZ3 LYS 55 HZ3 LYS 55 74.371 20.782 12.666 431 H LYS 56 HN LYS 56 81.186 16.322 11.045 432 HA LYS 56 HA LYS 56 81.695 18.019 8.717 433 HB2 LYS 56 HB2 LYS 56 83.559 17.024 9.972 434 HB3 LYS 56 HB1 LYS 56 82.992 15.409 9.570 435 HG2 LYS 56 HG2 LYS 56 83.905 15.484 7.466 436 HG3 LYS 56 HG1 LYS 56 83.316 17.115 7.173 437 HD2 LYS 56 HD2 LYS 56 85.680 17.295 7.119 438 HD3 LYS 56 HD1 LYS 56 85.228 17.918 8.700 439 HE2 LYS 56 HE2 LYS 56 86.982 16.470 9.244 440 HE3 LYS 56 HE1 LYS 56 85.588 15.418 9.470 441 HZ1 LYS 56 HZ1 LYS 56 86.056 14.237 7.609 442 HZ2 LYS 56 HZ2 LYS 56 87.639 14.727 7.988 443 HZ3 LYS 56 HZ3 LYS 56 86.752 15.553 6.797 444 H ASP 57 HN ASP 57 81.490 17.410 6.548 445 HA ASP 57 HA ASP 57 79.258 15.698 5.917 446 HB2 ASP 57 HB2 ASP 57 81.332 16.635 3.929 447 HB3 ASP 57 HB1 ASP 57 79.611 16.358 3.671 448 H TRP 58 HN TRP 58 79.422 13.506 6.072 449 HA TRP 58 HA TRP 58 82.010 12.198 5.365 450 HB2 TRP 58 HB2 TRP 58 79.668 11.256 7.027 451 HB3 TRP 58 HB1 TRP 58 81.093 10.291 6.666 452 HD1 TRP 58 HD1 TRP 58 79.790 12.487 9.226 453 HE1 TRP 58 HE1 TRP 58 81.663 13.425 10.729 454 HE3 TRP 58 HE3 TRP 58 83.877 11.295 6.395 455 HZ2 TRP 58 HZ2 TRP 58 84.511 13.646 10.723 456 HZ3 TRP 58 HZ3 TRP 58 86.154 11.884 7.169 457 HH2 TRP 58 HH2 TRP 58 86.477 13.056 9.328 458 H SER 59 HN SER 59 78.491 11.926 4.884 459 HA SER 59 HA SER 59 78.330 9.655 3.301 460 HB2 SER 59 HB2 SER 59 76.362 10.988 3.877 461 HB3 SER 59 HB1 SER 59 76.913 12.287 2.820 462 HG SER 59 HG SER 59 76.860 9.868 1.573 463 H ASP 60 HN ASP 60 78.960 12.948 2.030 464 HA ASP 60 HA ASP 60 79.449 12.235 -0.645 465 HB2 ASP 60 HB2 ASP 60 79.413 14.571 0.009 466 HB3 ASP 60 HB1 ASP 60 80.794 14.338 1.082 467 H HIS 61 HN HIS 61 81.479 11.927 2.202 468 HA HIS 61 HA HIS 61 83.862 11.142 0.782 469 HB2 HIS 61 HB2 HIS 61 84.823 11.315 2.844 470 HB3 HIS 61 HB1 HIS 61 83.253 11.865 3.410 471 HD1 HIS 61 HD1 HIS 61 82.127 10.425 5.136 472 HD2 HIS 61 HD2 HIS 61 85.140 8.366 3.126 473 HE1 HIS 61 HE1 HIS 61 82.334 8.173 6.272 474 H ALA 62 HN ALA 62 84.033 9.368 -0.337 475 HA ALA 62 HA ALA 62 82.706 6.857 0.631 476 HB1 ALA 62 HB1 ALA 62 82.940 8.080 -2.105 477 HB2 ALA 62 HB2 ALA 62 81.561 7.265 -1.363 478 HB3 ALA 62 HB3 ALA 62 82.925 6.320 -1.961 479 H LEU 63 HN LEU 63 84.023 4.891 -0.073 480 HA LEU 63 HA LEU 63 86.890 5.550 0.342 481 HB2 LEU 63 HB2 LEU 63 85.758 2.772 0.211 482 HB3 LEU 63 HB1 LEU 63 87.198 3.332 1.033 483 HG LEU 63 HG LEU 63 85.598 3.004 2.724 484 HD11 LEU 63 HD11 LEU 63 85.302 5.947 2.205 485 HD12 LEU 63 HD12 LEU 63 86.862 5.245 2.605 486 HD13 LEU 63 HD13 LEU 63 85.520 5.119 3.734 487 HD21 LEU 63 HD21 LEU 63 83.337 3.267 2.527 488 HD22 LEU 63 HD22 LEU 63 83.640 3.358 0.800 489 HD23 LEU 63 HD23 LEU 63 83.475 4.835 1.744 490 H TRP 64 HN TRP 64 88.484 5.110 -1.005 491 HA TRP 64 HA TRP 64 87.802 3.892 -3.667 492 HB2 TRP 64 HB2 TRP 64 88.233 5.881 -4.675 493 HB3 TRP 64 HB1 TRP 64 88.460 6.613 -3.110 494 HD1 TRP 64 HD1 TRP 64 91.202 5.841 -2.157 495 HE1 TRP 64 HE1 TRP 64 93.344 6.336 -3.489 496 HE3 TRP 64 HE3 TRP 64 89.212 6.476 -6.816 497 HZ2 TRP 64 HZ2 TRP 64 94.115 6.963 -6.172 498 HZ3 TRP 64 HZ3 TRP 64 90.671 7.045 -8.737 499 HH2 TRP 64 HH2 TRP 64 93.118 7.291 -8.422 500 H TRP 65 HN TRP 65 89.338 2.501 -4.481 501 HA TRP 65 HA TRP 65 91.546 1.760 -2.622 502 HB2 TRP 65 HB2 TRP 65 89.771 0.091 -3.468 503 HB3 TRP 65 HB1 TRP 65 90.585 0.196 -5.025 504 HD1 TRP 65 HD1 TRP 65 93.392 0.546 -2.892 505 HE1 TRP 65 HE1 TRP 65 94.515 -1.704 -2.348 506 HE3 TRP 65 HE3 TRP 65 89.640 -2.659 -4.206 507 HZ2 TRP 65 HZ2 TRP 65 93.907 -4.493 -2.445 508 HZ3 TRP 65 HZ3 TRP 65 89.945 -5.104 -3.972 509 HH2 TRP 65 HH2 TRP 65 92.068 -6.027 -3.091 510 H GLU 66 HN GLU 66 93.105 3.365 -3.290 511 HA GLU 66 HA GLU 66 93.653 4.093 -5.950 512 HB2 GLU 66 HB2 GLU 66 95.969 4.671 -5.121 513 HB3 GLU 66 HB1 GLU 66 94.633 5.393 -4.242 514 HG2 GLU 66 HG2 GLU 66 94.792 3.502 -2.590 515 HG3 GLU 66 HG1 GLU 66 96.243 2.994 -3.437 516 H LYS 67 HN LYS 67 94.484 1.090 -4.356 517 HA LYS 67 HA LYS 67 96.666 0.399 -6.104 518 HB2 LYS 67 HB2 LYS 67 94.654 -1.349 -4.707 519 HB3 LYS 67 HB1 LYS 67 95.994 -1.974 -5.632 520 HG2 LYS 67 HG2 LYS 67 96.205 -1.667 -3.020 521 HG3 LYS 67 HG1 LYS 67 97.565 -1.372 -4.060 522 HD2 LYS 67 HD2 LYS 67 97.177 1.017 -3.971 523 HD3 LYS 67 HD1 LYS 67 95.696 0.771 -3.042 524 HE2 LYS 67 HE2 LYS 67 97.783 1.391 -1.700 525 HE3 LYS 67 HE1 LYS 67 96.897 -0.034 -1.154 526 HZ1 LYS 67 HZ1 LYS 67 99.392 -0.256 -1.376 527 HZ2 LYS 67 HZ2 LYS 67 99.153 -0.221 -3.058 528 HZ3 LYS 67 HZ3 LYS 67 98.457 -1.458 -2.123 529 H LYS 68 HN LYS 68 93.309 0.746 -6.359 530 HA LYS 68 HA LYS 68 93.215 -0.487 -9.081 531 HB2 LYS 68 HB2 LYS 68 90.746 -0.139 -7.391 532 HB3 LYS 68 HB1 LYS 68 91.076 -1.326 -8.649 533 HG2 LYS 68 HG2 LYS 68 92.569 -1.350 -6.006 534 HG3 LYS 68 HG1 LYS 68 91.037 -2.168 -6.224 535 HD2 LYS 68 HD2 LYS 68 91.902 -3.606 -7.908 536 HD3 LYS 68 HD1 LYS 68 93.357 -2.628 -8.097 537 HE2 LYS 68 HE2 LYS 68 94.319 -3.449 -6.146 538 HE3 LYS 68 HE1 LYS 68 92.771 -3.823 -5.400 539 HZ1 LYS 68 HZ1 LYS 68 93.035 -5.325 -7.753 540 HZ2 LYS 68 HZ2 LYS 68 92.935 -5.879 -6.150 541 HZ3 LYS 68 HZ3 LYS 68 94.448 -5.525 -6.837 542 H ARG 69 HN ARG 69 92.884 2.354 -7.214 543 HA ARG 69 HA ARG 69 92.056 4.487 -7.707 544 HB2 ARG 69 HB2 ARG 69 92.623 3.434 -10.501 545 HB3 ARG 69 HB1 ARG 69 92.049 5.066 -10.204 546 HG2 ARG 69 HG2 ARG 69 94.352 5.425 -10.233 547 HG3 ARG 69 HG1 ARG 69 94.093 5.164 -8.511 548 HD2 ARG 69 HD2 ARG 69 95.949 3.785 -9.110 549 HD3 ARG 69 HD1 ARG 69 94.568 2.704 -8.951 550 HE ARG 69 HE ARG 69 95.041 3.703 -11.673 551 HH11 ARG 69 HH11 ARG 69 95.515 2.100 -13.191 552 HH12 ARG 69 HH12 ARG 69 95.908 0.501 -12.651 553 HH21 ARG 69 HH21 ARG 69 95.580 1.266 -9.287 554 HH22 ARG 69 HH22 ARG 69 95.944 0.031 -10.444 555 H THR 70 HN THR 70 90.179 2.599 -7.063 556 HA THR 70 HA THR 70 87.934 3.033 -9.013 557 HB THR 70 HB THR 70 88.719 0.678 -8.368 558 HG1 THR 70 HG1 THR 70 86.779 0.172 -8.938 559 HG21 THR 70 HG21 THR 70 87.093 1.042 -5.882 560 HG22 THR 70 HG22 THR 70 88.810 1.443 -5.858 561 HG23 THR 70 HG23 THR 70 88.293 -0.197 -6.254 562 H TRP 71 HN TRP 71 85.795 2.665 -7.562 563 HA TRP 71 HA TRP 71 85.942 4.451 -5.179 564 HB2 TRP 71 HB2 TRP 71 83.464 5.006 -6.090 565 HB3 TRP 71 HB1 TRP 71 84.862 5.947 -6.578 566 HD1 TRP 71 HD1 TRP 71 83.162 2.681 -7.837 567 HE1 TRP 71 HE1 TRP 71 83.180 2.705 -10.364 568 HE3 TRP 71 HE3 TRP 71 85.548 7.121 -8.636 569 HZ2 TRP 71 HZ2 TRP 71 84.080 4.383 -12.516 570 HZ3 TRP 71 HZ3 TRP 71 85.971 7.907 -10.949 571 HH2 TRP 71 HH2 TRP 71 85.241 6.545 -12.888 572 H LEU 72 HN LEU 72 85.775 2.783 -3.706 573 HA LEU 72 HA LEU 72 84.303 0.409 -4.162 574 HB2 LEU 72 HB2 LEU 72 84.949 1.659 -1.505 575 HB3 LEU 72 HB1 LEU 72 84.608 -0.037 -1.795 576 HG LEU 72 HG LEU 72 86.851 1.379 -3.232 577 HD11 LEU 72 HD11 LEU 72 87.469 1.739 -0.990 578 HD12 LEU 72 HD12 LEU 72 88.333 0.275 -1.462 579 HD13 LEU 72 HD13 LEU 72 86.867 0.160 -0.484 580 HD21 LEU 72 HD21 LEU 72 86.361 -0.716 -4.232 581 HD22 LEU 72 HD22 LEU 72 86.135 -1.503 -2.668 582 HD23 LEU 72 HD23 LEU 72 87.748 -1.027 -3.190 583 H LEU 73 HN LEU 73 82.346 1.127 -5.015 584 HA LEU 73 HA LEU 73 80.342 2.147 -3.039 585 HB2 LEU 73 HB2 LEU 73 78.976 2.784 -5.079 586 HB3 LEU 73 HB1 LEU 73 80.450 3.716 -4.849 587 HG LEU 73 HG LEU 73 81.450 1.785 -6.467 588 HD11 LEU 73 HD11 LEU 73 79.943 0.974 -8.075 589 HD12 LEU 73 HD12 LEU 73 78.694 2.143 -7.644 590 HD13 LEU 73 HD13 LEU 73 79.035 0.791 -6.577 591 HD21 LEU 73 HD21 LEU 73 80.984 3.337 -8.380 592 HD22 LEU 73 HD22 LEU 73 81.586 4.164 -6.950 593 HD23 LEU 73 HD23 LEU 73 79.876 4.225 -7.339 594 H LYS 74 HN LYS 74 81.445 -0.642 -3.943 595 HA LYS 74 HA LYS 74 78.989 -1.942 -4.912 596 HB2 LYS 74 HB2 LYS 74 81.812 -2.814 -4.353 597 HB3 LYS 74 HB1 LYS 74 80.553 -4.040 -4.394 598 HG2 LYS 74 HG2 LYS 74 81.569 -3.786 -6.617 599 HG3 LYS 74 HG1 LYS 74 79.882 -3.295 -6.648 600 HD2 LYS 74 HD2 LYS 74 81.287 -1.692 -7.881 601 HD3 LYS 74 HD1 LYS 74 80.558 -0.935 -6.472 602 HE2 LYS 74 HE2 LYS 74 83.116 -0.570 -6.955 603 HE3 LYS 74 HE1 LYS 74 82.577 -0.849 -5.304 604 HZ1 LYS 74 HZ1 LYS 74 83.064 -3.223 -5.627 605 HZ2 LYS 74 HZ2 LYS 74 84.446 -2.246 -5.781 606 HZ3 LYS 74 HZ3 LYS 74 83.687 -2.874 -7.166 607 H THR 75 HN THR 75 77.955 -0.981 -2.817 608 HA THR 75 HA THR 75 78.556 -2.156 -0.276 609 HB THR 75 HB THR 75 75.776 -1.264 -1.042 610 HG1 THR 75 HG1 THR 75 76.690 0.470 -1.782 611 HG21 THR 75 HG21 THR 75 76.730 -2.045 1.346 612 HG22 THR 75 HG22 THR 75 75.557 -0.737 1.204 613 HG23 THR 75 HG23 THR 75 77.270 -0.364 1.389 614 H HIS 76 HN HIS 76 77.312 -3.583 -3.053 615 HA HIS 76 HA HIS 76 75.489 -5.451 -1.701 616 HB2 HIS 76 HB2 HIS 76 76.533 -5.275 -4.538 617 HB3 HIS 76 HB1 HIS 76 75.428 -6.535 -3.987 618 HD1 HIS 76 HD1 HIS 76 73.397 -5.714 -5.342 619 HD2 HIS 76 HD2 HIS 76 74.972 -2.797 -2.814 620 HE1 HIS 76 HE1 HIS 76 71.717 -3.819 -5.302 621 H TRP 77 HN TRP 77 78.797 -5.485 -2.969 622 HA TRP 77 HA TRP 77 79.111 -8.343 -2.278 623 HB2 TRP 77 HB2 TRP 77 80.966 -6.288 -3.500 624 HB3 TRP 77 HB1 TRP 77 81.444 -7.938 -3.158 625 HD1 TRP 77 HD1 TRP 77 80.261 -5.949 -5.858 626 HE1 TRP 77 HE1 TRP 77 79.164 -7.365 -7.677 627 HE3 TRP 77 HE3 TRP 77 79.572 -10.343 -3.327 628 HZ2 TRP 77 HZ2 TRP 77 78.112 -9.989 -8.057 629 HZ3 TRP 77 HZ3 TRP 77 78.519 -12.278 -4.448 630 HH2 TRP 77 HH2 TRP 77 77.788 -12.109 -6.810 631 H THR 78 HN THR 78 81.830 -8.241 -1.470 632 HA THR 78 HA THR 78 81.936 -6.477 0.889 633 HB THR 78 HB THR 78 82.513 -9.307 1.618 634 HG1 THR 78 HG1 THR 78 80.669 -9.429 0.181 635 HG21 THR 78 HG21 THR 78 80.889 -8.628 3.499 636 HG22 THR 78 HG22 THR 78 80.997 -6.999 2.851 637 HG23 THR 78 HG23 THR 78 82.454 -7.817 3.439 638 H LEU 79 HN LEU 79 84.034 -6.848 2.039 639 HA LEU 79 HA LEU 79 86.281 -6.345 0.529 640 HB2 LEU 79 HB2 LEU 79 85.924 -7.761 3.153 641 HB3 LEU 79 HB1 LEU 79 87.537 -7.506 2.502 642 HG LEU 79 HG LEU 79 87.172 -5.083 2.504 643 HD11 LEU 79 HD11 LEU 79 84.810 -4.924 2.055 644 HD12 LEU 79 HD12 LEU 79 85.071 -4.242 3.661 645 HD13 LEU 79 HD13 LEU 79 84.423 -5.870 3.493 646 HD21 LEU 79 HD21 LEU 79 86.844 -4.818 5.013 647 HD22 LEU 79 HD22 LEU 79 88.063 -6.006 4.546 648 HD23 LEU 79 HD23 LEU 79 86.468 -6.542 5.068 649 H ASP 80 HN ASP 80 85.627 -9.501 1.991 650 HA ASP 80 HA ASP 80 87.509 -11.110 0.794 651 HB2 ASP 80 HB2 ASP 80 85.767 -11.834 2.414 652 HB3 ASP 80 HB1 ASP 80 84.582 -11.811 1.107 653 H LYS 81 HN LYS 81 84.317 -10.389 -0.536 654 HA LYS 81 HA LYS 81 84.381 -11.788 -2.898 655 HB2 LYS 81 HB2 LYS 81 83.471 -8.922 -2.858 656 HB3 LYS 81 HB1 LYS 81 82.779 -10.274 -3.747 657 HG2 LYS 81 HG2 LYS 81 82.672 -9.785 -0.770 658 HG3 LYS 81 HG1 LYS 81 81.316 -9.853 -1.887 659 HD2 LYS 81 HD2 LYS 81 82.020 -12.250 -2.382 660 HD3 LYS 81 HD1 LYS 81 83.063 -12.126 -0.970 661 HE2 LYS 81 HE2 LYS 81 81.099 -13.013 -0.050 662 HE3 LYS 81 HE1 LYS 81 80.897 -11.286 0.239 663 HZ1 LYS 81 HZ1 LYS 81 79.051 -11.359 -0.950 664 HZ2 LYS 81 HZ2 LYS 81 79.287 -13.007 -1.290 665 HZ3 LYS 81 HZ3 LYS 81 79.941 -11.823 -2.318 666 H TYR 82 HN TYR 82 85.608 -8.477 -2.476 667 HA TYR 82 HA TYR 82 86.886 -8.543 -5.109 668 HB2 TYR 82 HB2 TYR 82 86.660 -6.575 -2.863 669 HB3 TYR 82 HB1 TYR 82 88.010 -6.373 -3.974 670 HD1 TYR 82 HD1 TYR 82 84.391 -6.152 -3.560 671 HD2 TYR 82 HD2 TYR 82 87.604 -6.042 -6.407 672 HE1 TYR 82 HE1 TYR 82 82.870 -5.146 -5.239 673 HE2 TYR 82 HE2 TYR 82 86.086 -5.031 -8.085 674 HH TYR 82 HH TYR 82 83.932 -4.584 -8.574 675 H GLY 83 HN GLY 83 87.996 -8.876 -1.741 676 HA2 GLY 83 HA2 GLY 83 89.845 -10.528 -1.382 677 HA3 GLY 83 HA1 GLY 83 90.629 -9.869 -2.818 678 H ILE 84 HN ILE 84 89.074 -7.482 -1.016 679 HA ILE 84 HA ILE 84 91.476 -6.081 -0.406 680 HB ILE 84 HB ILE 84 88.700 -5.850 0.797 681 HG12 ILE 84 HG12 ILE 84 89.943 -4.012 -1.252 682 HG13 ILE 84 HG11 ILE 84 89.164 -5.507 -1.760 683 HG21 ILE 84 HG21 ILE 84 91.095 -3.986 0.883 684 HG22 ILE 84 HG22 ILE 84 90.308 -4.762 2.257 685 HG23 ILE 84 HG23 ILE 84 89.461 -3.516 1.351 686 HD11 ILE 84 HD11 ILE 84 87.750 -3.297 -1.618 687 HD12 ILE 84 HD12 ILE 84 87.716 -3.643 0.110 688 HD13 ILE 84 HD13 ILE 84 87.052 -4.807 -1.038 689 H GLN 85 HN GLN 85 92.307 -5.620 1.790 690 HA GLN 85 HA GLN 85 91.600 -7.256 4.048 691 HB2 GLN 85 HB2 GLN 85 92.924 -8.753 2.231 692 HB3 GLN 85 HB1 GLN 85 94.311 -8.029 3.029 693 HG2 GLN 85 HG2 GLN 85 94.023 -9.904 4.378 694 HG3 GLN 85 HG1 GLN 85 92.995 -8.761 5.238 695 HE21 GLN 85 HE21 GLN 85 90.748 -8.704 3.558 696 HE22 GLN 85 HE22 GLN 85 90.018 -10.228 3.548 697 H ALA 86 HN ALA 86 93.997 -7.309 5.410 698 HA ALA 86 HA ALA 86 94.344 -4.572 6.191 699 HB1 ALA 86 HB1 ALA 86 95.805 -7.138 6.781 700 HB2 ALA 86 HB2 ALA 86 94.766 -6.200 7.855 701 HB3 ALA 86 HB3 ALA 86 96.371 -5.601 7.435 702 H ASP 87 HN ASP 87 95.916 -6.574 3.818 703 HA ASP 87 HA ASP 87 98.311 -4.915 3.647 704 HB2 ASP 87 HB2 ASP 87 98.629 -6.237 1.485 705 HB3 ASP 87 HB1 ASP 87 98.554 -7.194 2.966 706 H ALA 88 HN ALA 88 95.123 -4.564 2.720 707 HA ALA 88 HA ALA 88 95.730 -2.886 0.338 708 HB1 ALA 88 HB1 ALA 88 93.295 -4.186 1.502 709 HB2 ALA 88 HB2 ALA 88 93.931 -4.313 -0.130 710 HB3 ALA 88 HB3 ALA 88 93.099 -2.842 0.378 711 H LYS 89 HN LYS 89 96.186 -0.774 0.865 712 HA LYS 89 HA LYS 89 94.963 0.407 3.305 713 HB2 LYS 89 HB2 LYS 89 96.824 1.899 1.468 714 HB3 LYS 89 HB1 LYS 89 96.609 2.066 3.209 715 HG2 LYS 89 HG2 LYS 89 97.847 -0.347 1.847 716 HG3 LYS 89 HG1 LYS 89 98.744 0.956 2.602 717 HD2 LYS 89 HD2 LYS 89 97.930 0.413 4.775 718 HD3 LYS 89 HD1 LYS 89 96.704 -0.673 4.123 719 HE2 LYS 89 HE2 LYS 89 98.622 -1.935 5.020 720 HE3 LYS 89 HE1 LYS 89 98.445 -2.170 3.280 721 HZ1 LYS 89 HZ1 LYS 89 100.074 0.089 3.896 722 HZ2 LYS 89 HZ2 LYS 89 100.416 -1.251 2.908 723 HZ3 LYS 89 HZ3 LYS 89 100.700 -1.331 4.581 724 H LEU 90 HN LEU 90 93.135 1.437 3.150 725 HA LEU 90 HA LEU 90 92.209 2.449 0.501 726 HB2 LEU 90 HB2 LEU 90 90.551 2.333 3.014 727 HB3 LEU 90 HB1 LEU 90 90.008 2.347 1.335 728 HG LEU 90 HG LEU 90 91.504 0.124 2.721 729 HD11 LEU 90 HD11 LEU 90 89.206 0.072 3.371 730 HD12 LEU 90 HD12 LEU 90 89.365 -1.125 2.086 731 HD13 LEU 90 HD13 LEU 90 88.667 0.455 1.736 732 HD21 LEU 90 HD21 LEU 90 92.288 0.106 0.480 733 HD22 LEU 90 HD22 LEU 90 90.705 0.552 -0.164 734 HD23 LEU 90 HD23 LEU 90 90.972 -1.067 0.491 735 H GLN 91 HN GLN 91 90.736 4.466 0.783 736 HA GLN 91 HA GLN 91 91.963 6.450 2.632 737 HB2 GLN 91 HB2 GLN 91 91.203 7.131 -0.212 738 HB3 GLN 91 HB1 GLN 91 92.102 8.117 0.930 739 HG2 GLN 91 HG2 GLN 91 94.078 6.900 0.646 740 HG3 GLN 91 HG1 GLN 91 93.244 5.466 0.087 741 HE21 GLN 91 HE21 GLN 91 92.099 8.399 -1.241 742 HE22 GLN 91 HE22 GLN 91 92.830 8.244 -2.754 743 H PHE 92 HN PHE 92 90.475 8.004 3.308 744 HA PHE 92 HA PHE 92 87.610 7.443 2.631 745 HB2 PHE 92 HB2 PHE 92 89.063 8.089 5.158 746 HB3 PHE 92 HB1 PHE 92 87.451 8.751 4.996 747 HD1 PHE 92 HD1 PHE 92 85.860 7.484 6.138 748 HD2 PHE 92 HD2 PHE 92 89.070 5.471 4.117 749 HE1 PHE 92 HE1 PHE 92 84.953 5.298 6.869 750 HE2 PHE 92 HE2 PHE 92 88.144 3.287 4.841 751 HZ PHE 92 HZ PHE 92 86.129 3.202 6.236 752 H THR 93 HN THR 93 87.349 8.932 0.966 753 HA THR 93 HA THR 93 87.302 11.765 1.742 754 HB THR 93 HB THR 93 89.595 11.655 1.188 755 HG1 THR 93 HG1 THR 93 88.697 12.267 -1.370 756 HG21 THR 93 HG21 THR 93 90.387 10.546 -0.917 757 HG22 THR 93 HG22 THR 93 88.743 9.968 -1.180 758 HG23 THR 93 HG23 THR 93 89.655 9.421 0.226 759 HA PRO 94 HA PRO 94 83.888 12.310 -1.102 760 HB2 PRO 94 HB2 PRO 94 85.790 14.242 -2.412 761 HB3 PRO 94 HB1 PRO 94 84.050 14.424 -2.095 762 HG2 PRO 94 HG2 PRO 94 85.865 15.537 -0.487 763 HG3 PRO 94 HG1 PRO 94 84.364 14.843 0.153 764 HD2 PRO 94 HD2 PRO 94 87.134 13.837 0.438 765 HD3 PRO 94 HD1 PRO 94 85.698 13.443 1.403 766 H TYR 541 HT1 TYR 541 54.289 37.390 17.094 767 HA TYR 541 HA TYR 541 52.154 37.910 17.214 768 HB2 TYR 541 HB2 TYR 541 52.970 40.475 15.814 769 HB3 TYR 541 HB1 TYR 541 51.379 40.179 16.515 770 HD1 TYR 541 HD1 TYR 541 54.950 40.737 17.235 771 HD2 TYR 541 HD2 TYR 541 51.059 40.077 18.930 772 HE1 TYR 541 HE1 TYR 541 55.803 41.426 19.459 773 HE2 TYR 541 HE2 TYR 541 51.912 40.765 21.155 774 HH TYR 541 HH TYR 541 54.011 40.934 22.347 775 H HIS 542 HN HIS 542 52.448 39.735 14.215 776 HA HIS 542 HA HIS 542 50.508 37.993 12.912 777 HB2 HIS 542 HB2 HIS 542 52.004 40.506 12.220 778 HB3 HIS 542 HB1 HIS 542 51.282 39.583 10.909 779 HD1 HIS 542 HD1 HIS 542 49.919 40.270 14.407 780 HD2 HIS 542 HD2 HIS 542 48.913 40.930 10.415 781 HE1 HIS 542 HE1 HIS 542 47.615 41.322 14.413 782 H GLU 543 HN GLU 543 53.894 38.884 12.189 783 HA GLU 543 HA GLU 543 54.440 37.246 10.043 784 HB2 GLU 543 HB2 GLU 543 56.778 36.951 11.151 785 HB3 GLU 543 HB1 GLU 543 56.229 38.586 10.782 786 HG2 GLU 543 HG2 GLU 543 55.635 39.018 13.041 787 HG3 GLU 543 HG1 GLU 543 55.719 37.310 13.472 788 H ARG 544 HN ARG 544 53.555 36.170 13.197 789 HA ARG 544 HA ARG 544 54.746 33.516 12.947 790 HB2 ARG 544 HB2 ARG 544 52.443 34.215 14.771 791 HB3 ARG 544 HB1 ARG 544 53.740 33.048 15.031 792 HG2 ARG 544 HG2 ARG 544 54.068 36.065 14.944 793 HG3 ARG 544 HG1 ARG 544 54.103 35.066 16.390 794 HD2 ARG 544 HD2 ARG 544 56.015 33.776 15.290 795 HD3 ARG 544 HD1 ARG 544 56.081 35.082 14.108 796 HE ARG 544 HE ARG 544 56.182 36.390 16.552 797 HH11 ARG 544 HH11 ARG 544 58.128 36.846 17.610 798 HH12 ARG 544 HH12 ARG 544 59.524 35.875 17.282 799 HH21 ARG 544 HH21 ARG 544 57.899 33.837 14.996 800 HH22 ARG 544 HH22 ARG 544 59.395 34.173 15.801 801 H ARG 545 HN ARG 545 53.906 32.822 10.867 802 HA ARG 545 HA ARG 545 51.044 31.972 10.961 803 HB2 ARG 545 HB2 ARG 545 51.558 32.290 8.259 804 HB3 ARG 545 HB1 ARG 545 50.711 33.455 9.262 805 HG2 ARG 545 HG2 ARG 545 52.418 34.638 8.063 806 HG3 ARG 545 HG1 ARG 545 52.918 34.569 9.737 807 HD2 ARG 545 HD2 ARG 545 54.670 33.117 9.294 808 HD3 ARG 545 HD1 ARG 545 53.848 32.335 7.955 809 HE ARG 545 HE ARG 545 55.737 34.508 7.809 810 HH11 ARG 545 HH11 ARG 545 55.941 35.803 5.993 811 HH12 ARG 545 HH12 ARG 545 54.692 35.798 4.793 812 HH21 ARG 545 HH21 ARG 545 52.722 33.490 6.460 813 HH22 ARG 545 HH22 ARG 545 52.875 34.493 5.057 814 H GLY 546 HN GLY 546 54.251 31.393 9.569 815 HA2 GLY 546 HA2 GLY 546 53.795 29.004 8.200 816 HA3 GLY 546 HA1 GLY 546 55.311 29.370 9.017 817 H SER 547 HN SER 547 55.843 28.156 10.784 818 HA SER 547 HA SER 547 53.842 26.918 12.497 819 HB2 SER 547 HB2 SER 547 55.180 25.360 10.315 820 HB3 SER 547 HB1 SER 547 54.952 24.565 11.870 821 HG SER 547 HG SER 547 53.188 24.835 9.981 822 H LEU 548 HN LEU 548 54.867 27.145 14.446 823 HA LEU 548 HA LEU 548 57.635 27.681 14.681 824 HB2 LEU 548 HB2 LEU 548 55.385 27.137 16.525 825 HB3 LEU 548 HB1 LEU 548 56.962 26.726 17.185 826 HG LEU 548 HG LEU 548 57.734 29.054 16.479 827 HD11 LEU 548 HD11 LEU 548 55.748 30.690 16.291 828 HD12 LEU 548 HD12 LEU 548 54.790 29.269 15.883 829 HD13 LEU 548 HD13 LEU 548 56.156 29.731 14.877 830 HD21 LEU 548 HD21 LEU 548 55.421 29.182 18.400 831 HD22 LEU 548 HD22 LEU 548 56.945 30.072 18.445 832 HD23 LEU 548 HD23 LEU 548 56.920 28.350 18.816 833 H CYS 549 HN CYS 549 59.424 26.399 14.931 834 HA CYS 549 HA CYS 549 59.054 23.503 14.519 835 HB2 CYS 549 HB2 CYS 549 60.926 24.335 13.341 836 HB3 CYS 549 HB1 CYS 549 61.394 25.406 14.646 837 H SER 550 HN SER 550 58.288 22.601 16.356 838 HA SER 550 HA SER 550 58.585 23.485 18.972 839 HB2 SER 550 HB2 SER 550 56.999 21.796 18.593 840 HB3 SER 550 HB1 SER 550 58.190 20.694 17.913 841 HG SER 550 HG SER 550 57.997 21.607 20.595 842 H GLY 551 HN GLY 551 60.170 23.640 20.309 843 HA2 GLY 551 HA2 GLY 551 62.152 22.669 21.455 844 HA3 GLY 551 HA1 GLY 551 62.669 22.036 19.887 845 H CYS 552 HN CYS 552 61.842 24.309 18.403 846 HA CYS 552 HA CYS 552 64.002 26.247 19.115 847 HB2 CYS 552 HB2 CYS 552 62.645 25.358 16.583 848 HB3 CYS 552 HB1 CYS 552 63.398 26.943 16.648 849 H GLN 553 HN GLN 553 60.634 25.803 18.269 850 HA GLN 553 HA GLN 553 58.819 27.185 18.360 851 HB2 GLN 553 HB2 GLN 553 60.411 28.418 20.589 852 HB3 GLN 553 HB1 GLN 553 58.717 28.784 20.250 853 HG2 GLN 553 HG2 GLN 553 59.767 25.995 20.729 854 HG3 GLN 553 HG1 GLN 553 59.039 26.984 21.979 855 HE21 GLN 553 HE21 GLN 553 58.382 25.330 18.917 856 HE22 GLN 553 HE22 GLN 553 56.697 25.252 19.111 857 H LYS 554 HN LYS 554 60.066 27.726 16.319 858 HA LYS 554 HA LYS 554 59.920 30.670 16.007 859 HB2 LYS 554 HB2 LYS 554 62.144 28.947 14.882 860 HB3 LYS 554 HB1 LYS 554 61.894 30.641 14.489 861 HG2 LYS 554 HG2 LYS 554 62.369 29.607 17.296 862 HG3 LYS 554 HG1 LYS 554 63.640 30.247 16.259 863 HD2 LYS 554 HD2 LYS 554 62.062 32.340 16.059 864 HD3 LYS 554 HD1 LYS 554 61.317 31.692 17.519 865 HE2 LYS 554 HE2 LYS 554 63.645 31.598 18.532 866 HE3 LYS 554 HE1 LYS 554 64.198 32.530 17.141 867 HZ1 LYS 554 HZ1 LYS 554 62.586 34.245 17.702 868 HZ2 LYS 554 HZ2 LYS 554 63.657 33.971 18.993 869 HZ3 LYS 554 HZ3 LYS 554 62.076 33.351 19.051 870 HA PRO 555 HA PRO 555 57.036 29.028 12.903 871 HB2 PRO 555 HB2 PRO 555 57.779 31.472 11.394 872 HB3 PRO 555 HB1 PRO 555 56.177 30.857 11.816 873 HG2 PRO 555 HG2 PRO 555 57.370 32.967 13.111 874 HG3 PRO 555 HG1 PRO 555 56.178 31.909 13.876 875 HD2 PRO 555 HD2 PRO 555 59.074 32.114 14.421 876 HD3 PRO 555 HD1 PRO 555 57.809 31.320 15.393 877 H ILE 556 HN ILE 556 57.313 27.672 11.302 878 HA ILE 556 HA ILE 556 59.919 27.493 9.904 879 HB ILE 556 HB ILE 556 57.490 25.677 10.073 880 HG12 ILE 556 HG12 ILE 556 60.263 25.001 11.052 881 HG13 ILE 556 HG11 ILE 556 59.243 26.009 12.054 882 HG21 ILE 556 HG21 ILE 556 59.078 24.029 8.979 883 HG22 ILE 556 HG22 ILE 556 60.102 25.403 8.577 884 HG23 ILE 556 HG23 ILE 556 58.464 25.303 7.929 885 HD11 ILE 556 HD11 ILE 556 57.928 23.558 10.982 886 HD12 ILE 556 HD12 ILE 556 57.833 24.275 12.590 887 HD13 ILE 556 HD13 ILE 556 59.218 23.286 12.150 888 H THR 557 HN THR 557 59.780 29.100 8.288 889 HA THR 557 HA THR 557 57.335 29.176 6.588 890 HB THR 557 HB THR 557 58.082 31.332 5.892 891 HG1 THR 557 HG1 THR 557 60.196 31.223 5.560 892 HG21 THR 557 HG21 THR 557 57.186 31.029 8.234 893 HG22 THR 557 HG22 THR 557 58.189 32.466 8.017 894 HG23 THR 557 HG23 THR 557 58.854 31.032 8.802 895 H GLY 558 HN GLY 558 57.668 27.346 5.335 896 HA2 GLY 558 HA2 GLY 558 58.677 27.486 2.819 897 HA3 GLY 558 HA1 GLY 558 60.100 26.986 3.746 898 H ARG 559 HN ARG 559 60.184 24.932 4.570 899 HA ARG 559 HA ARG 559 57.935 23.075 3.908 900 HB2 ARG 559 HB2 ARG 559 60.935 22.818 3.896 901 HB3 ARG 559 HB1 ARG 559 59.972 21.383 4.241 902 HG2 ARG 559 HG2 ARG 559 59.497 23.164 1.846 903 HG3 ARG 559 HG1 ARG 559 60.545 21.752 1.790 904 HD2 ARG 559 HD2 ARG 559 58.639 20.604 1.230 905 HD3 ARG 559 HD1 ARG 559 58.205 20.744 2.932 906 HE ARG 559 HE ARG 559 57.322 23.125 1.826 907 HH11 ARG 559 HH11 ARG 559 55.236 23.364 0.983 908 HH12 ARG 559 HH12 ARG 559 54.380 21.967 0.420 909 HH21 ARG 559 HH21 ARG 559 56.942 19.759 1.181 910 HH22 ARG 559 HH22 ARG 559 55.345 19.927 0.532 911 H CYS 560 HN CYS 560 57.370 21.582 5.591 912 HA CYS 560 HA CYS 560 58.692 21.991 8.213 913 HB2 CYS 560 HB2 CYS 560 56.532 22.310 9.359 914 HB3 CYS 560 HB1 CYS 560 56.885 23.626 8.237 915 HG CYS 560 HG CYS 560 55.297 22.214 6.492 916 H ILE 561 HN ILE 561 59.052 20.186 9.165 917 HA ILE 561 HA ILE 561 57.665 17.741 8.276 918 HB ILE 561 HB ILE 561 59.981 18.200 10.173 919 HG12 ILE 561 HG12 ILE 561 59.748 17.220 7.330 920 HG13 ILE 561 HG11 ILE 561 60.453 18.742 7.840 921 HG21 ILE 561 HG21 ILE 561 58.708 16.136 10.732 922 HG22 ILE 561 HG22 ILE 561 60.279 15.744 10.040 923 HG23 ILE 561 HG23 ILE 561 58.829 15.630 9.046 924 HD11 ILE 561 HD11 ILE 561 62.104 17.405 9.201 925 HD12 ILE 561 HD12 ILE 561 62.278 17.227 7.456 926 HD13 ILE 561 HD13 ILE 561 61.490 15.958 8.401 927 H THR 562 HN THR 562 56.507 16.492 9.677 928 HA THR 562 HA THR 562 55.682 17.776 12.248 929 HB THR 562 HB THR 562 53.929 15.925 10.650 930 HG1 THR 562 HG1 THR 562 53.821 18.749 10.670 931 HG21 THR 562 HG21 THR 562 52.188 16.783 12.068 932 HG22 THR 562 HG22 THR 562 53.250 18.043 12.698 933 HG23 THR 562 HG23 THR 562 53.540 16.353 13.121 934 H ALA 563 HN ALA 563 55.417 16.475 13.999 935 HA ALA 563 HA ALA 563 56.468 13.685 13.753 936 HB1 ALA 563 HB1 ALA 563 57.602 14.024 15.860 937 HB2 ALA 563 HB2 ALA 563 56.857 15.615 16.045 938 HB3 ALA 563 HB3 ALA 563 58.047 15.342 14.767 939 H MET 564 HN MET 564 55.920 14.039 16.836 940 HA MET 564 HA MET 564 53.510 12.499 16.916 941 HB2 MET 564 HB2 MET 564 54.500 14.158 19.224 942 HB3 MET 564 HB1 MET 564 53.808 12.534 19.239 943 HG2 MET 564 HG2 MET 564 55.895 11.832 17.889 944 HG3 MET 564 HG1 MET 564 56.566 13.387 18.375 945 HE1 MET 564 HE1 MET 564 58.296 10.594 20.496 946 HE2 MET 564 HE2 MET 564 58.659 12.194 19.852 947 HE3 MET 564 HE3 MET 564 57.965 10.965 18.798 948 H ALA 565 HN ALA 565 53.478 15.113 15.580 949 HA ALA 565 HA ALA 565 51.463 16.389 15.116 950 HB1 ALA 565 HB1 ALA 565 51.202 16.737 18.114 951 HB2 ALA 565 HB2 ALA 565 50.297 15.516 17.209 952 HB3 ALA 565 HB3 ALA 565 50.059 17.227 16.868 953 H LYS 566 HN LYS 566 54.316 16.624 16.813 954 HA LYS 566 HA LYS 566 54.322 19.556 17.098 955 HB2 LYS 566 HB2 LYS 566 56.190 17.289 17.650 956 HB3 LYS 566 HB1 LYS 566 56.938 18.848 17.335 957 HG2 LYS 566 HG2 LYS 566 55.831 19.877 19.161 958 HG3 LYS 566 HG1 LYS 566 54.692 18.544 19.329 959 HD2 LYS 566 HD2 LYS 566 57.634 17.963 19.603 960 HD3 LYS 566 HD1 LYS 566 56.799 18.740 20.942 961 HE2 LYS 566 HE2 LYS 566 55.391 16.899 21.307 962 HE3 LYS 566 HE1 LYS 566 55.583 16.296 19.656 963 HZ1 LYS 566 HZ1 LYS 566 56.957 14.877 20.745 964 HZ2 LYS 566 HZ2 LYS 566 57.337 15.984 21.977 965 HZ3 LYS 566 HZ3 LYS 566 58.074 16.119 20.453 966 H LYS 567 HN LYS 567 55.964 20.848 15.891 967 HA LYS 567 HA LYS 567 56.217 19.876 13.072 968 HB2 LYS 567 HB2 LYS 567 56.698 22.709 13.927 969 HB3 LYS 567 HB1 LYS 567 56.116 22.110 12.385 970 HG2 LYS 567 HG2 LYS 567 54.559 22.113 14.996 971 HG3 LYS 567 HG1 LYS 567 54.295 23.192 13.637 972 HD2 LYS 567 HD2 LYS 567 53.987 20.161 13.515 973 HD3 LYS 567 HD1 LYS 567 52.664 21.318 13.661 974 HE2 LYS 567 HE2 LYS 567 53.658 22.406 11.519 975 HE3 LYS 567 HE1 LYS 567 54.513 20.877 11.333 976 HZ1 LYS 567 HZ1 LYS 567 51.914 21.426 10.606 977 HZ2 LYS 567 HZ2 LYS 567 51.792 20.429 11.977 978 HZ3 LYS 567 HZ3 LYS 567 52.671 19.909 10.619 979 H PHE 568 HN PHE 568 58.370 20.883 12.040 980 HA PHE 568 HA PHE 568 60.545 21.122 14.004 981 HB2 PHE 568 HB2 PHE 568 59.824 18.524 13.019 982 HB3 PHE 568 HB1 PHE 568 61.352 18.931 12.258 983 HD1 PHE 568 HD1 PHE 568 62.856 20.415 14.169 984 HD2 PHE 568 HD2 PHE 568 60.159 17.147 14.887 985 HE1 PHE 568 HE1 PHE 568 64.058 19.883 16.273 986 HE2 PHE 568 HE2 PHE 568 61.362 16.618 16.991 987 HZ PHE 568 HZ PHE 568 63.311 17.986 17.683 988 H HIS 569 HN HIS 569 62.276 22.171 13.121 989 HA HIS 569 HA HIS 569 62.045 23.439 10.587 990 HB2 HIS 569 HB2 HIS 569 64.298 22.905 12.482 991 HB3 HIS 569 HB1 HIS 569 64.699 23.486 10.878 992 HD2 HIS 569 HD2 HIS 569 62.978 25.997 10.331 993 HE1 HIS 569 HE1 HIS 569 63.452 27.126 14.365 994 HA PRO 570 HA PRO 570 62.573 19.507 8.309 995 HB2 PRO 570 HB2 PRO 570 63.514 21.388 6.178 996 HB3 PRO 570 HB1 PRO 570 62.313 20.089 6.081 997 HG2 PRO 570 HG2 PRO 570 61.594 22.713 6.180 998 HG3 PRO 570 HG1 PRO 570 60.598 21.430 6.873 999 HD2 PRO 570 HD2 PRO 570 62.207 23.492 8.273 1000 HD3 PRO 570 HD1 PRO 570 60.832 22.528 8.872 1001 H GLU 571 HN GLU 571 64.923 21.819 9.196 1002 HA GLU 571 HA GLU 571 67.209 20.228 8.179 1003 HB2 GLU 571 HB2 GLU 571 67.441 22.790 9.741 1004 HB3 GLU 571 HB1 GLU 571 68.522 22.136 8.512 1005 HG2 GLU 571 HG2 GLU 571 66.602 22.418 6.864 1006 HG3 GLU 571 HG1 GLU 571 65.794 23.354 8.126 1007 H HIS 572 HN HIS 572 66.111 21.738 11.213 1008 HA HIS 572 HA HIS 572 68.035 20.476 12.886 1009 HB2 HIS 572 HB2 HIS 572 65.215 21.256 13.684 1010 HB3 HIS 572 HB1 HIS 572 66.610 21.102 14.753 1011 HD2 HIS 572 HD2 HIS 572 68.555 22.645 12.295 1012 HE1 HIS 572 HE1 HIS 572 66.367 26.021 13.532 1013 H PHE 573 HN PHE 573 65.737 18.993 11.049 1014 HA PHE 573 HA PHE 573 65.821 16.537 12.777 1015 HB2 PHE 573 HB2 PHE 573 63.532 17.737 12.570 1016 HB3 PHE 573 HB1 PHE 573 63.559 17.188 10.903 1017 HD1 PHE 573 HD1 PHE 573 63.734 16.011 14.431 1018 HD2 PHE 573 HD2 PHE 573 63.032 14.938 10.330 1019 HE1 PHE 573 HE1 PHE 573 62.948 13.772 15.151 1020 HE2 PHE 573 HE2 PHE 573 62.247 12.698 11.052 1021 HZ PHE 573 HZ PHE 573 62.205 12.116 13.462 1022 H VAL 574 HN VAL 574 67.818 16.824 11.146 1023 HA VAL 574 HA VAL 574 67.253 15.804 8.448 1024 HB VAL 574 HB VAL 574 69.739 16.054 8.179 1025 HG11 VAL 574 HG11 VAL 574 68.984 18.013 7.339 1026 HG12 VAL 574 HG12 VAL 574 69.314 18.753 8.880 1027 HG13 VAL 574 HG13 VAL 574 67.704 18.119 8.525 1028 HG21 VAL 574 HG21 VAL 574 70.954 17.231 9.945 1029 HG22 VAL 574 HG22 VAL 574 70.251 15.762 10.612 1030 HG23 VAL 574 HG23 VAL 574 69.500 17.332 10.931 1031 H CYS 575 HN CYS 575 69.034 14.129 7.689 1032 HA CYS 575 HA CYS 575 68.774 11.682 9.297 1033 HB2 CYS 575 HB2 CYS 575 68.864 10.880 7.163 1034 HB3 CYS 575 HB1 CYS 575 69.493 12.412 6.570 1035 H ALA 576 HN ALA 576 70.531 10.596 10.410 1036 HA ALA 576 HA ALA 576 72.773 12.518 10.976 1037 HB1 ALA 576 HB1 ALA 576 71.864 11.607 12.966 1038 HB2 ALA 576 HB2 ALA 576 73.338 10.673 12.704 1039 HB3 ALA 576 HB3 ALA 576 71.768 9.982 12.289 1040 H PHE 577 HN PHE 577 73.483 12.106 8.757 1041 HA PHE 577 HA PHE 577 75.799 10.366 8.761 1042 HB2 PHE 577 HB2 PHE 577 73.993 8.920 7.615 1043 HB3 PHE 577 HB1 PHE 577 73.918 10.156 6.368 1044 HD1 PHE 577 HD1 PHE 577 74.530 7.493 5.472 1045 HD2 PHE 577 HD2 PHE 577 77.306 10.377 7.103 1046 HE1 PHE 577 HE1 PHE 577 76.400 6.414 4.283 1047 HE2 PHE 577 HE2 PHE 577 79.133 9.267 5.911 1048 HZ PHE 577 HZ PHE 577 78.691 7.291 4.501 1049 H CYS 578 HN CYS 578 73.654 12.051 6.610 1050 HA CYS 578 HA CYS 578 75.656 14.190 6.024 1051 HB2 CYS 578 HB2 CYS 578 74.409 14.501 3.904 1052 HB3 CYS 578 HB1 CYS 578 75.016 12.859 4.019 1053 H LEU 579 HN LEU 579 74.871 15.101 8.019 1054 HA LEU 579 HA LEU 579 72.261 15.590 8.803 1055 HB2 LEU 579 HB2 LEU 579 74.667 17.376 9.195 1056 HB3 LEU 579 HB1 LEU 579 73.203 17.411 10.164 1057 HG LEU 579 HG LEU 579 73.997 14.677 10.164 1058 HD11 LEU 579 HD11 LEU 579 76.213 15.213 9.384 1059 HD12 LEU 579 HD12 LEU 579 76.320 14.859 11.108 1060 HD13 LEU 579 HD13 LEU 579 76.362 16.529 10.547 1061 HD21 LEU 579 HD21 LEU 579 74.317 14.996 12.539 1062 HD22 LEU 579 HD22 LEU 579 72.973 16.021 12.035 1063 HD23 LEU 579 HD23 LEU 579 74.561 16.729 12.325 1064 H LYS 580 HN LYS 580 72.893 16.532 5.765 1065 HA LYS 580 HA LYS 580 72.055 19.354 6.091 1066 HB2 LYS 580 HB2 LYS 580 72.713 19.700 3.915 1067 HB3 LYS 580 HB1 LYS 580 73.686 18.288 4.283 1068 HG2 LYS 580 HG2 LYS 580 70.984 18.154 2.881 1069 HG3 LYS 580 HG1 LYS 580 72.532 18.196 2.056 1070 HD2 LYS 580 HD2 LYS 580 73.165 16.087 2.805 1071 HD3 LYS 580 HD1 LYS 580 72.077 16.134 4.187 1072 HE2 LYS 580 HE2 LYS 580 71.436 14.634 2.163 1073 HE3 LYS 580 HE1 LYS 580 70.195 15.654 2.888 1074 HZ1 LYS 580 HZ1 LYS 580 70.707 17.346 1.197 1075 HZ2 LYS 580 HZ2 LYS 580 70.134 15.897 0.519 1076 HZ3 LYS 580 HZ3 LYS 580 71.792 16.267 0.463 1077 H GLN 581 HN GLN 581 70.402 16.324 4.927 1078 HA GLN 581 HA GLN 581 67.913 17.722 5.495 1079 HB2 GLN 581 HB2 GLN 581 68.525 18.570 3.250 1080 HB3 GLN 581 HB1 GLN 581 68.277 16.942 2.623 1081 HG2 GLN 581 HG2 GLN 581 66.203 18.072 2.310 1082 HG3 GLN 581 HG1 GLN 581 65.953 17.064 3.720 1083 HE21 GLN 581 HE21 GLN 581 66.200 18.181 5.881 1084 HE22 GLN 581 HE22 GLN 581 65.820 19.826 5.973 1085 H LEU 582 HN LEU 582 66.213 16.524 5.895 1086 HA LEU 582 HA LEU 582 66.077 13.707 5.008 1087 HB2 LEU 582 HB2 LEU 582 67.065 13.946 7.344 1088 HB3 LEU 582 HB1 LEU 582 65.483 14.510 7.855 1089 HG LEU 582 HG LEU 582 64.505 12.379 7.049 1090 HD11 LEU 582 HD11 LEU 582 66.568 10.586 6.793 1091 HD12 LEU 582 HD12 LEU 582 67.263 12.012 6.021 1092 HD13 LEU 582 HD13 LEU 582 65.745 11.345 5.434 1093 HD21 LEU 582 HD21 LEU 582 64.958 12.381 9.343 1094 HD22 LEU 582 HD22 LEU 582 66.695 12.407 9.106 1095 HD23 LEU 582 HD23 LEU 582 65.790 10.928 8.794 1096 H ASN 583 HN ASN 583 63.790 12.845 5.510 1097 HA ASN 583 HA ASN 583 61.715 14.948 5.780 1098 HB2 ASN 583 HB2 ASN 583 62.238 13.335 3.281 1099 HB3 ASN 583 HB1 ASN 583 60.592 13.823 3.671 1100 HD21 ASN 583 HD21 ASN 583 61.605 14.881 1.373 1101 HD22 ASN 583 HD22 ASN 583 62.014 16.510 1.584 1102 H LYS 584 HN LYS 584 59.844 14.128 6.691 1103 HA LYS 584 HA LYS 584 59.894 11.675 8.096 1104 HB2 LYS 584 HB2 LYS 584 57.397 12.035 8.248 1105 HB3 LYS 584 HB1 LYS 584 58.382 13.402 8.766 1106 HG2 LYS 584 HG2 LYS 584 57.852 14.694 6.900 1107 HG3 LYS 584 HG1 LYS 584 57.569 13.295 5.866 1108 HD2 LYS 584 HD2 LYS 584 55.426 14.244 6.243 1109 HD3 LYS 584 HD1 LYS 584 55.497 12.844 7.304 1110 HE2 LYS 584 HE2 LYS 584 54.628 14.615 8.643 1111 HE3 LYS 584 HE1 LYS 584 56.316 14.447 9.125 1112 HZ1 LYS 584 HZ1 LYS 584 55.707 16.762 8.739 1113 HZ2 LYS 584 HZ2 LYS 584 55.285 16.395 7.135 1114 HZ3 LYS 584 HZ3 LYS 584 56.898 16.247 7.646 1115 H GLY 585 HN GLY 585 59.195 12.366 4.810 1116 HA2 GLY 585 HA2 GLY 585 57.685 9.880 4.358 1117 HA3 GLY 585 HA1 GLY 585 58.089 11.094 3.146 1118 H THR 586 HN THR 586 60.898 10.983 4.359 1119 HA THR 586 HA THR 586 61.798 8.406 3.132 1120 HB THR 586 HB THR 586 63.361 9.473 1.761 1121 HG1 THR 586 HG1 THR 586 63.179 11.455 3.718 1122 HG21 THR 586 HG21 THR 586 62.168 11.183 0.542 1123 HG22 THR 586 HG22 THR 586 61.186 11.574 1.957 1124 HG23 THR 586 HG23 THR 586 60.976 10.027 1.138 1125 H PHE 587 HN PHE 587 61.472 9.468 5.956 1126 HA PHE 587 HA PHE 587 64.318 9.614 6.817 1127 HB2 PHE 587 HB2 PHE 587 63.449 10.862 8.481 1128 HB3 PHE 587 HB1 PHE 587 61.846 10.539 7.892 1129 HD1 PHE 587 HD1 PHE 587 60.471 8.728 8.855 1130 HD2 PHE 587 HD2 PHE 587 64.403 9.616 10.336 1131 HE1 PHE 587 HE1 PHE 587 60.012 7.376 10.883 1132 HE2 PHE 587 HE2 PHE 587 63.945 8.265 12.364 1133 HZ PHE 587 HZ PHE 587 61.750 7.145 12.638 1134 H LYS 588 HN LYS 588 65.362 7.845 7.029 1135 HA LYS 588 HA LYS 588 64.032 5.317 7.885 1136 HB2 LYS 588 HB2 LYS 588 65.763 5.916 5.738 1137 HB3 LYS 588 HB1 LYS 588 66.793 5.156 6.901 1138 HG2 LYS 588 HG2 LYS 588 65.778 3.586 5.217 1139 HG3 LYS 588 HG1 LYS 588 65.541 3.135 6.890 1140 HD2 LYS 588 HD2 LYS 588 63.557 2.946 5.191 1141 HD3 LYS 588 HD1 LYS 588 63.247 3.534 6.806 1142 HE2 LYS 588 HE2 LYS 588 62.808 5.689 6.061 1143 HE3 LYS 588 HE1 LYS 588 63.909 5.559 4.710 1144 HZ1 LYS 588 HZ1 LYS 588 62.384 4.241 3.523 1145 HZ2 LYS 588 HZ2 LYS 588 61.507 5.565 4.126 1146 HZ3 LYS 588 HZ3 LYS 588 61.382 4.046 4.877 1147 H GLU 589 HN GLU 589 65.515 3.963 9.376 1148 HA GLU 589 HA GLU 589 67.383 5.602 10.975 1149 HB2 GLU 589 HB2 GLU 589 65.478 6.297 12.124 1150 HB3 GLU 589 HB1 GLU 589 64.665 4.748 11.940 1151 HG2 GLU 589 HG2 GLU 589 66.055 3.733 13.611 1152 HG3 GLU 589 HG1 GLU 589 67.158 5.115 13.634 1153 H GLN 590 HN GLN 590 68.509 4.443 12.527 1154 HA GLN 590 HA GLN 590 68.290 1.552 12.750 1155 HB2 GLN 590 HB2 GLN 590 69.710 2.170 10.596 1156 HB3 GLN 590 HB1 GLN 590 70.959 2.564 11.764 1157 HG2 GLN 590 HG2 GLN 590 71.470 0.327 11.529 1158 HG3 GLN 590 HG1 GLN 590 70.214 0.153 12.753 1159 HE21 GLN 590 HE21 GLN 590 71.143 -0.817 9.621 1160 HE22 GLN 590 HE22 GLN 590 69.662 -1.472 9.114 1161 H ASN 591 HN ASN 591 69.416 0.895 14.658 1162 HA ASN 591 HA ASN 591 70.123 1.302 16.848 1163 HB2 ASN 591 HB2 ASN 591 72.254 3.080 16.585 1164 HB3 ASN 591 HB1 ASN 591 72.367 1.340 16.437 1165 HD21 ASN 591 HD21 ASN 591 71.441 0.702 14.035 1166 HD22 ASN 591 HD22 ASN 591 72.205 1.554 12.787 1167 H ASP 592 HN ASP 592 68.106 3.205 15.633 1168 HA ASP 592 HA ASP 592 66.805 4.908 16.617 1169 HB2 ASP 592 HB2 ASP 592 69.055 5.659 18.465 1170 HB3 ASP 592 HB1 ASP 592 67.317 5.795 18.717 1171 H LYS 593 HN LYS 593 69.767 5.227 15.121 1172 HA LYS 593 HA LYS 593 69.888 8.150 15.182 1173 HB2 LYS 593 HB2 LYS 593 71.433 6.178 13.521 1174 HB3 LYS 593 HB1 LYS 593 71.840 7.863 13.803 1175 HG2 LYS 593 HG2 LYS 593 71.762 7.145 16.346 1176 HG3 LYS 593 HG1 LYS 593 72.003 5.528 15.688 1177 HD2 LYS 593 HD2 LYS 593 74.035 6.257 14.537 1178 HD3 LYS 593 HD1 LYS 593 73.781 7.915 15.086 1179 HE2 LYS 593 HE2 LYS 593 74.086 5.575 16.985 1180 HE3 LYS 593 HE1 LYS 593 75.444 6.570 16.458 1181 HZ1 LYS 593 HZ1 LYS 593 74.852 7.747 18.275 1182 HZ2 LYS 593 HZ2 LYS 593 73.235 7.226 18.241 1183 HZ3 LYS 593 HZ3 LYS 593 73.756 8.461 17.196 1184 HA PRO 594 HA PRO 594 66.895 8.268 11.696 1185 HB2 PRO 594 HB2 PRO 594 68.142 10.946 11.311 1186 HB3 PRO 594 HB1 PRO 594 66.437 10.518 11.445 1187 HG2 PRO 594 HG2 PRO 594 67.822 11.744 13.445 1188 HG3 PRO 594 HG1 PRO 594 66.465 10.650 13.754 1189 HD2 PRO 594 HD2 PRO 594 69.368 10.198 14.212 1190 HD3 PRO 594 HD1 PRO 594 67.971 9.378 14.949 1191 H TYR 595 HN TYR 595 67.132 8.532 9.290 1192 HA TYR 595 HA TYR 595 69.773 8.876 8.116 1193 HB2 TYR 595 HB2 TYR 595 68.686 6.091 8.539 1194 HB3 TYR 595 HB1 TYR 595 69.767 6.433 7.201 1195 HD1 TYR 595 HD1 TYR 595 71.907 7.990 8.065 1196 HD2 TYR 595 HD2 TYR 595 69.723 5.088 10.363 1197 HE1 TYR 595 HE1 TYR 595 73.887 7.629 9.517 1198 HE2 TYR 595 HE2 TYR 595 71.704 4.743 11.800 1199 HH TYR 595 HH TYR 595 74.698 5.537 11.038 1200 H CYS 596 HN CYS 596 69.495 9.265 5.893 1201 HA CYS 596 HA CYS 596 66.797 9.243 4.778 1202 HB2 CYS 596 HB2 CYS 596 69.312 9.198 3.091 1203 HB3 CYS 596 HB1 CYS 596 67.771 9.970 2.740 1204 H GLN 597 HN GLN 597 66.122 7.654 3.056 1205 HA GLN 597 HA GLN 597 66.897 5.000 3.787 1206 HB2 GLN 597 HB2 GLN 597 64.814 4.998 2.732 1207 HB3 GLN 597 HB1 GLN 597 65.287 6.222 1.591 1208 HG2 GLN 597 HG2 GLN 597 65.164 4.352 0.204 1209 HG3 GLN 597 HG1 GLN 597 66.857 4.309 0.649 1210 HE21 GLN 597 HE21 GLN 597 66.243 3.444 3.439 1211 HE22 GLN 597 HE22 GLN 597 65.800 1.827 3.326 1212 H ASN 598 HN ASN 598 67.642 6.947 0.905 1213 HA ASN 598 HA ASN 598 69.549 5.353 -0.321 1214 HB2 ASN 598 HB2 ASN 598 70.165 8.277 -0.027 1215 HB3 ASN 598 HB1 ASN 598 70.208 7.267 -1.466 1216 HD21 ASN 598 HD21 ASN 598 67.805 6.235 -1.789 1217 HD22 ASN 598 HD22 ASN 598 66.582 7.405 -1.814 1218 H CYS 599 HN CYS 599 69.809 7.137 2.672 1219 HA CYS 599 HA CYS 599 72.709 6.710 2.887 1220 HB2 CYS 599 HB2 CYS 599 70.593 7.923 4.669 1221 HB3 CYS 599 HB1 CYS 599 72.191 7.553 5.302 1222 H PHE 600 HN PHE 600 69.958 5.809 4.982 1223 HA PHE 600 HA PHE 600 71.132 3.807 6.501 1224 HB2 PHE 600 HB2 PHE 600 68.937 4.262 7.133 1225 HB3 PHE 600 HB1 PHE 600 68.369 4.315 5.471 1226 HD1 PHE 600 HD1 PHE 600 68.989 2.195 8.387 1227 HD2 PHE 600 HD2 PHE 600 67.855 2.220 4.249 1228 HE1 PHE 600 HE1 PHE 600 68.142 -0.125 8.606 1229 HE2 PHE 600 HE2 PHE 600 67.013 -0.100 4.462 1230 HZ PHE 600 HZ PHE 600 67.154 -1.273 6.641 1231 H LEU 601 HN LEU 601 69.477 3.342 3.386 1232 HA LEU 601 HA LEU 601 70.027 0.583 3.192 1233 HB2 LEU 601 HB2 LEU 601 68.738 0.823 1.337 1234 HB3 LEU 601 HB1 LEU 601 68.702 2.542 1.677 1235 HG LEU 601 HG LEU 601 70.809 2.777 0.289 1236 HD11 LEU 601 HD11 LEU 601 70.537 -0.151 0.227 1237 HD12 LEU 601 HD12 LEU 601 71.914 0.851 -0.219 1238 HD13 LEU 601 HD13 LEU 601 70.647 0.532 -1.393 1239 HD21 LEU 601 HD21 LEU 601 68.542 3.269 -0.564 1240 HD22 LEU 601 HD22 LEU 601 68.385 1.590 -1.081 1241 HD23 LEU 601 HD23 LEU 601 69.589 2.634 -1.833 1242 H LYS 602 HN LYS 602 71.910 3.383 2.118 1243 HA LYS 602 HA LYS 602 73.909 1.981 0.700 1244 HB2 LYS 602 HB2 LYS 602 73.796 4.420 0.670 1245 HB3 LYS 602 HB1 LYS 602 74.203 4.484 2.376 1246 HG2 LYS 602 HG2 LYS 602 76.122 4.951 0.920 1247 HG3 LYS 602 HG1 LYS 602 76.392 3.510 1.894 1248 HD2 LYS 602 HD2 LYS 602 76.151 2.069 0.064 1249 HD3 LYS 602 HD1 LYS 602 75.204 3.233 -0.861 1250 HE2 LYS 602 HE2 LYS 602 78.173 3.413 -0.264 1251 HE3 LYS 602 HE1 LYS 602 77.438 3.036 -1.819 1252 HZ1 LYS 602 HZ1 LYS 602 77.885 5.288 -1.962 1253 HZ2 LYS 602 HZ2 LYS 602 77.436 5.593 -0.352 1254 HZ3 LYS 602 HZ3 LYS 602 76.248 5.262 -1.521 1255 H LEU 603 HN LEU 603 73.389 2.223 4.158 1256 HA LEU 603 HA LEU 603 76.092 1.123 4.693 1257 HB2 LEU 603 HB2 LEU 603 74.272 1.387 7.007 1258 HB3 LEU 603 HB1 LEU 603 75.907 2.004 6.786 1259 HG LEU 603 HG LEU 603 73.390 3.223 5.622 1260 HD11 LEU 603 HD11 LEU 603 73.546 4.889 7.284 1261 HD12 LEU 603 HD12 LEU 603 75.180 4.400 7.735 1262 HD13 LEU 603 HD13 LEU 603 73.805 3.375 8.149 1263 HD21 LEU 603 HD21 LEU 603 75.760 3.495 4.426 1264 HD22 LEU 603 HD22 LEU 603 76.064 4.613 5.747 1265 HD23 LEU 603 HD23 LEU 603 74.713 4.889 4.652 1266 H PHE 604 HN PHE 604 72.736 0.186 5.597 1267 HA PHE 604 HA PHE 604 73.737 -2.596 6.009 1268 HB2 PHE 604 HB2 PHE 604 70.905 -1.872 6.657 1269 HB3 PHE 604 HB1 PHE 604 72.048 -2.869 7.557 1270 HD1 PHE 604 HD1 PHE 604 73.755 -1.810 9.029 1271 HD2 PHE 604 HD2 PHE 604 70.810 0.519 6.942 1272 HE1 PHE 604 HE1 PHE 604 74.247 0.124 10.494 1273 HE2 PHE 604 HE2 PHE 604 71.310 2.456 8.408 1274 HZ PHE 604 HZ PHE 604 73.023 2.258 10.183 1275 H CYS 605 HN CYS 605 71.544 -0.748 3.943 1276 HA CYS 605 HA CYS 605 70.148 -1.467 2.170 1277 HB2 CYS 605 HB2 CYS 605 72.160 -1.632 0.949 1278 HB3 CYS 605 HB1 CYS 605 72.707 -3.036 1.868 1279 HG CYS 605 HG CYS 605 71.475 -4.517 0.303 Start of MODEL 11 1 H MET 1 HT1 MET 1 91.990 -23.501 18.743 2 HA MET 1 HA MET 1 89.462 -22.740 17.408 3 HB2 MET 1 HB2 MET 1 91.539 -21.311 16.791 4 HB3 MET 1 HB1 MET 1 92.172 -22.788 16.065 5 HG2 MET 1 HG2 MET 1 89.884 -22.918 14.843 6 HG3 MET 1 HG1 MET 1 89.713 -21.221 15.296 7 HE1 MET 1 HE1 MET 1 90.081 -19.614 13.530 8 HE2 MET 1 HE2 MET 1 89.422 -20.990 12.648 9 HE3 MET 1 HE3 MET 1 90.767 -20.079 11.967 10 H ALA 2 HN ALA 2 91.320 -24.132 15.200 11 HA ALA 2 HA ALA 2 91.216 -26.928 16.130 12 HB1 ALA 2 HB1 ALA 2 89.692 -27.681 14.421 13 HB2 ALA 2 HB2 ALA 2 89.640 -26.077 13.689 14 HB3 ALA 2 HB3 ALA 2 88.896 -26.352 15.265 15 H LEU 3 HN LEU 3 91.440 -24.863 13.252 16 HA LEU 3 HA LEU 3 93.090 -26.398 11.617 17 HB2 LEU 3 HB2 LEU 3 93.050 -23.425 12.159 18 HB3 LEU 3 HB1 LEU 3 94.045 -24.132 10.887 19 HG LEU 3 HG LEU 3 91.053 -24.556 11.123 20 HD11 LEU 3 HD11 LEU 3 91.540 -22.181 10.731 21 HD12 LEU 3 HD12 LEU 3 90.862 -22.913 9.277 22 HD13 LEU 3 HD13 LEU 3 92.596 -22.607 9.384 23 HD21 LEU 3 HD21 LEU 3 93.178 -25.400 9.175 24 HD22 LEU 3 HD22 LEU 3 91.577 -25.025 8.541 25 HD23 LEU 3 HD23 LEU 3 91.768 -26.284 9.754 26 H ASP 4 HN ASP 4 94.500 -23.668 13.242 27 HA ASP 4 HA ASP 4 96.620 -23.365 14.168 28 HB2 ASP 4 HB2 ASP 4 95.545 -24.504 16.036 29 HB3 ASP 4 HB1 ASP 4 95.854 -26.065 15.281 30 H GLY 5 HN GLY 5 96.251 -25.002 11.601 31 HA2 GLY 5 HA2 GLY 5 98.317 -26.972 11.437 32 HA3 GLY 5 HA1 GLY 5 97.682 -26.044 10.069 33 H ILE 6 HN ILE 6 98.280 -23.628 11.768 34 HA ILE 6 HA ILE 6 101.134 -23.324 10.939 35 HB ILE 6 HB ILE 6 100.140 -20.770 11.484 36 HG12 ILE 6 HG12 ILE 6 97.861 -21.883 11.732 37 HG13 ILE 6 HG11 ILE 6 97.959 -20.553 10.585 38 HG21 ILE 6 HG21 ILE 6 100.239 -22.317 8.902 39 HG22 ILE 6 HG22 ILE 6 101.458 -21.219 9.555 40 HG23 ILE 6 HG23 ILE 6 99.914 -20.584 8.987 41 HD11 ILE 6 HD11 ILE 6 98.524 -23.155 9.327 42 HD12 ILE 6 HD12 ILE 6 97.398 -21.889 8.847 43 HD13 ILE 6 HD13 ILE 6 96.924 -23.073 10.062 44 H ARG 7 HN ARG 7 99.549 -21.141 13.163 45 HA ARG 7 HA ARG 7 100.721 -22.426 15.524 46 HB2 ARG 7 HB2 ARG 7 102.002 -20.315 16.084 47 HB3 ARG 7 HB1 ARG 7 102.664 -21.290 14.780 48 HG2 ARG 7 HG2 ARG 7 100.724 -19.228 13.873 49 HG3 ARG 7 HG1 ARG 7 102.191 -18.581 14.598 50 HD2 ARG 7 HD2 ARG 7 103.576 -19.584 12.981 51 HD3 ARG 7 HD1 ARG 7 102.333 -20.741 12.506 52 HE ARG 7 HE ARG 7 101.296 -18.190 11.926 53 HH11 ARG 7 HH11 ARG 7 101.469 -17.338 9.840 54 HH12 ARG 7 HH12 ARG 7 102.703 -17.930 8.778 55 HH21 ARG 7 HH21 ARG 7 103.976 -20.188 11.081 56 HH22 ARG 7 HH22 ARG 7 104.122 -19.543 9.480 57 H MET 8 HN MET 8 100.413 -18.994 15.631 58 HA MET 8 HA MET 8 97.580 -19.126 16.431 59 HB2 MET 8 HB2 MET 8 98.810 -17.794 18.635 60 HB3 MET 8 HB1 MET 8 97.971 -19.331 18.642 61 HG2 MET 8 HG2 MET 8 99.967 -20.567 18.237 62 HG3 MET 8 HG1 MET 8 100.899 -19.138 17.848 63 HE1 MET 8 HE1 MET 8 99.688 -21.563 20.392 64 HE2 MET 8 HE2 MET 8 100.777 -21.183 21.723 65 HE3 MET 8 HE3 MET 8 101.438 -21.556 20.134 66 HA PRO 9 HA PRO 9 98.938 -14.340 16.559 67 HB2 PRO 9 HB2 PRO 9 101.347 -14.873 14.824 68 HB3 PRO 9 HB1 PRO 9 101.042 -13.507 15.922 69 HG2 PRO 9 HG2 PRO 9 102.603 -15.468 16.694 70 HG3 PRO 9 HG1 PRO 9 101.397 -14.795 17.809 71 HD2 PRO 9 HD2 PRO 9 101.348 -17.413 16.371 72 HD3 PRO 9 HD1 PRO 9 100.694 -16.969 17.945 73 H ASP 10 HN ASP 10 99.678 -16.582 14.006 74 HA ASP 10 HA ASP 10 97.932 -15.053 12.090 75 HB2 ASP 10 HB2 ASP 10 100.452 -15.406 11.558 76 HB3 ASP 10 HB1 ASP 10 100.011 -17.088 11.273 77 H GLY 11 HN GLY 11 98.603 -18.043 13.683 78 HA2 GLY 11 HA2 GLY 11 96.618 -19.539 12.081 79 HA3 GLY 11 HA1 GLY 11 97.619 -20.198 13.368 80 H CYS 12 HN CYS 12 96.260 -17.255 14.230 81 HA CYS 12 HA CYS 12 93.684 -18.232 15.164 82 HB2 CYS 12 HB2 CYS 12 95.222 -19.323 16.776 83 HB3 CYS 12 HB1 CYS 12 95.870 -17.739 17.197 84 HG CYS 12 HG CYS 12 93.068 -18.798 17.988 85 H TYR 13 HN TYR 13 95.835 -15.981 16.850 86 HA TYR 13 HA TYR 13 95.818 -13.646 16.979 87 HB2 TYR 13 HB2 TYR 13 95.060 -13.938 14.418 88 HB3 TYR 13 HB1 TYR 13 93.513 -13.392 15.058 89 HD1 TYR 13 HD1 TYR 13 96.512 -12.273 13.640 90 HD2 TYR 13 HD2 TYR 13 93.765 -11.340 16.809 91 HE1 TYR 13 HE1 TYR 13 97.329 -9.932 13.661 92 HE2 TYR 13 HE2 TYR 13 94.583 -8.999 16.828 93 HH TYR 13 HH TYR 13 96.979 -7.872 14.457 94 H ALA 14 HN ALA 14 92.723 -15.316 16.678 95 HA ALA 14 HA ALA 14 91.792 -15.044 19.248 96 HB1 ALA 14 HB1 ALA 14 90.164 -12.957 18.710 97 HB2 ALA 14 HB2 ALA 14 91.546 -12.499 17.712 98 HB3 ALA 14 HB3 ALA 14 91.752 -12.735 19.445 99 H ASP 15 HN ASP 15 90.568 -14.204 16.013 100 HA ASP 15 HA ASP 15 88.980 -16.637 15.953 101 HB2 ASP 15 HB2 ASP 15 87.700 -14.989 17.432 102 HB3 ASP 15 HB1 ASP 15 87.442 -14.042 15.965 103 H GLY 16 HN GLY 16 90.690 -14.326 14.413 104 HA2 GLY 16 HA2 GLY 16 91.108 -14.493 12.008 105 HA3 GLY 16 HA1 GLY 16 89.408 -14.904 11.773 106 H THR 17 HN THR 17 90.310 -12.388 14.000 107 HA THR 17 HA THR 17 88.840 -10.424 12.357 108 HB THR 17 HB THR 17 89.388 -8.975 14.467 109 HG1 THR 17 HG1 THR 17 89.863 -11.582 15.466 110 HG21 THR 17 HG21 THR 17 87.602 -10.268 15.781 111 HG22 THR 17 HG22 THR 17 87.589 -11.394 14.424 112 HG23 THR 17 HG23 THR 17 87.159 -9.701 14.171 113 H TRP 18 HN TRP 18 89.895 -9.125 11.025 114 HA TRP 18 HA TRP 18 92.721 -8.328 11.614 115 HB2 TRP 18 HB2 TRP 18 92.579 -8.146 8.879 116 HB3 TRP 18 HB1 TRP 18 93.233 -9.536 9.732 117 HD1 TRP 18 HD1 TRP 18 89.811 -8.326 8.388 118 HE1 TRP 18 HE1 TRP 18 88.499 -10.398 7.590 119 HE3 TRP 18 HE3 TRP 18 93.093 -12.010 9.700 120 HZ2 TRP 18 HZ2 TRP 18 88.803 -13.241 7.515 121 HZ3 TRP 18 HZ3 TRP 18 92.559 -14.389 9.254 122 HH2 TRP 18 HH2 TRP 18 90.421 -15.008 8.164 123 H GLU 19 HN GLU 19 92.795 -6.175 11.908 124 HA GLU 19 HA GLU 19 90.499 -4.528 11.237 125 HB2 GLU 19 HB2 GLU 19 92.550 -2.739 11.901 126 HB3 GLU 19 HB1 GLU 19 91.369 -3.405 13.020 127 HG2 GLU 19 HG2 GLU 19 93.697 -3.730 13.797 128 HG3 GLU 19 HG1 GLU 19 92.847 -5.254 13.542 129 H LEU 20 HN LEU 20 90.168 -3.408 9.409 130 HA LEU 20 HA LEU 20 92.209 -3.557 7.303 131 HB2 LEU 20 HB2 LEU 20 89.369 -3.371 7.373 132 HB3 LEU 20 HB1 LEU 20 89.910 -1.866 6.645 133 HG LEU 20 HG LEU 20 89.560 -3.492 4.889 134 HD11 LEU 20 HD11 LEU 20 91.780 -1.987 5.075 135 HD12 LEU 20 HD12 LEU 20 91.480 -3.073 3.721 136 HD13 LEU 20 HD13 LEU 20 92.542 -3.579 5.030 137 HD21 LEU 20 HD21 LEU 20 90.320 -5.692 4.909 138 HD22 LEU 20 HD22 LEU 20 90.069 -5.450 6.630 139 HD23 LEU 20 HD23 LEU 20 91.690 -5.332 5.950 140 H SER 21 HN SER 21 93.514 -1.865 6.720 141 HA SER 21 HA SER 21 93.641 0.401 8.550 142 HB2 SER 21 HB2 SER 21 95.550 -0.863 7.172 143 HB3 SER 21 HB1 SER 21 95.171 0.384 5.986 144 HG SER 21 HG SER 21 95.525 1.057 8.694 145 H VAL 22 HN VAL 22 93.185 2.544 8.074 146 HA VAL 22 HA VAL 22 91.941 3.121 5.435 147 HB VAL 22 HB VAL 22 90.652 3.518 8.137 148 HG11 VAL 22 HG11 VAL 22 90.095 4.971 5.532 149 HG12 VAL 22 HG12 VAL 22 90.440 5.687 7.108 150 HG13 VAL 22 HG13 VAL 22 88.918 4.850 6.838 151 HG21 VAL 22 HG21 VAL 22 89.664 2.465 5.475 152 HG22 VAL 22 HG22 VAL 22 88.758 2.466 6.991 153 HG23 VAL 22 HG23 VAL 22 90.197 1.455 6.824 154 H HIS 23 HN HIS 23 93.191 4.630 4.628 155 HA HIS 23 HA HIS 23 94.549 6.614 6.340 156 HB2 HIS 23 HB2 HIS 23 94.574 5.805 3.445 157 HB3 HIS 23 HB1 HIS 23 95.206 7.398 3.879 158 HD1 HIS 23 HD1 HIS 23 97.620 7.411 4.494 159 HD2 HIS 23 HD2 HIS 23 95.903 3.671 5.158 160 HE1 HIS 23 HE1 HIS 23 99.490 5.893 5.276 161 H VAL 24 HN VAL 24 93.064 8.109 7.092 162 HA VAL 24 HA VAL 24 90.817 8.975 5.475 163 HB VAL 24 HB VAL 24 91.870 10.565 7.807 164 HG11 VAL 24 HG11 VAL 24 89.729 11.057 6.384 165 HG12 VAL 24 HG12 VAL 24 89.618 11.137 8.142 166 HG13 VAL 24 HG13 VAL 24 89.028 9.713 7.284 167 HG21 VAL 24 HG21 VAL 24 90.613 8.952 9.291 168 HG22 VAL 24 HG22 VAL 24 92.098 8.300 8.600 169 HG23 VAL 24 HG23 VAL 24 90.536 7.853 7.917 170 H THR 25 HN THR 25 91.965 9.659 3.508 171 HA THR 25 HA THR 25 93.981 11.657 3.465 172 HB THR 25 HB THR 25 93.764 11.599 1.183 173 HG1 THR 25 HG1 THR 25 91.810 12.924 1.468 174 HG21 THR 25 HG21 THR 25 93.367 9.226 1.948 175 HG22 THR 25 HG22 THR 25 92.738 9.596 0.344 176 HG23 THR 25 HG23 THR 25 91.642 9.511 1.722 177 H ASP 26 HN ASP 26 93.570 13.998 2.713 178 HA ASP 26 HA ASP 26 92.503 16.072 3.054 179 HB2 ASP 26 HB2 ASP 26 90.374 14.533 2.446 180 HB3 ASP 26 HB1 ASP 26 90.011 14.781 4.152 181 H LEU 27 HN LEU 27 91.810 13.536 5.439 182 HA LEU 27 HA LEU 27 92.142 15.388 7.695 183 HB2 LEU 27 HB2 LEU 27 91.076 12.716 7.263 184 HB3 LEU 27 HB1 LEU 27 92.190 12.692 8.608 185 HG LEU 27 HG LEU 27 90.065 13.106 9.535 186 HD11 LEU 27 HD11 LEU 27 92.072 14.880 9.986 187 HD12 LEU 27 HD12 LEU 27 90.533 14.894 10.843 188 HD13 LEU 27 HD13 LEU 27 90.785 15.977 9.478 189 HD21 LEU 27 HD21 LEU 27 89.719 15.232 7.435 190 HD22 LEU 27 HD22 LEU 27 88.552 14.847 8.705 191 HD23 LEU 27 HD23 LEU 27 88.935 13.654 7.463 192 H ASN 28 HN ASN 28 93.759 12.801 5.977 193 HA ASN 28 HA ASN 28 96.029 12.255 5.826 194 HB2 ASN 28 HB2 ASN 28 96.386 14.788 6.274 195 HB3 ASN 28 HB1 ASN 28 96.709 14.313 7.937 196 HD21 ASN 28 HD21 ASN 28 97.733 11.649 6.773 197 HD22 ASN 28 HD22 ASN 28 99.319 12.008 6.299 198 H ARG 29 HN ARG 29 93.947 11.607 8.113 199 HA ARG 29 HA ARG 29 95.817 10.659 10.181 200 HB2 ARG 29 HB2 ARG 29 92.831 10.300 9.912 201 HB3 ARG 29 HB1 ARG 29 93.794 9.866 11.319 202 HG2 ARG 29 HG2 ARG 29 94.297 12.120 11.821 203 HG3 ARG 29 HG1 ARG 29 93.781 12.683 10.242 204 HD2 ARG 29 HD2 ARG 29 91.981 13.257 11.677 205 HD3 ARG 29 HD1 ARG 29 91.445 11.775 10.883 206 HE ARG 29 HE ARG 29 92.682 10.862 13.180 207 HH11 ARG 29 HH11 ARG 29 91.567 10.567 15.129 208 HH12 ARG 29 HH12 ARG 29 90.142 11.500 15.443 209 HH21 ARG 29 HH21 ARG 29 90.268 13.207 12.430 210 HH22 ARG 29 HH22 ARG 29 89.407 12.992 13.917 211 H ASP 30 HN ASP 30 95.022 8.359 10.930 212 HA ASP 30 HA ASP 30 94.588 6.524 8.661 213 HB2 ASP 30 HB2 ASP 30 97.038 6.521 10.437 214 HB3 ASP 30 HB1 ASP 30 96.467 5.055 9.637 215 H VAL 31 HN VAL 31 92.927 5.343 9.333 216 HA VAL 31 HA VAL 31 92.724 4.668 12.254 217 HB VAL 31 HB VAL 31 90.457 4.954 10.278 218 HG11 VAL 31 HG11 VAL 31 89.161 5.134 12.434 219 HG12 VAL 31 HG12 VAL 31 90.641 4.714 13.292 220 HG13 VAL 31 HG13 VAL 31 89.914 3.560 12.175 221 HG21 VAL 31 HG21 VAL 31 90.043 7.155 11.341 222 HG22 VAL 31 HG22 VAL 31 91.631 7.129 10.576 223 HG23 VAL 31 HG23 VAL 31 91.492 6.955 12.325 224 H THR 32 HN THR 32 91.759 2.636 12.742 225 HA THR 32 HA THR 32 91.785 0.623 10.534 226 HB THR 32 HB THR 32 92.705 -0.645 12.942 227 HG1 THR 32 HG1 THR 32 94.450 1.441 12.315 228 HG21 THR 32 HG21 THR 32 94.522 0.171 10.678 229 HG22 THR 32 HG22 THR 32 93.294 -1.075 10.447 230 HG23 THR 32 HG23 THR 32 94.563 -1.301 11.649 231 H LEU 33 HN LEU 33 90.040 -0.698 10.616 232 HA LEU 33 HA LEU 33 88.237 -0.545 13.002 233 HB2 LEU 33 HB2 LEU 33 87.788 -0.714 10.038 234 HB3 LEU 33 HB1 LEU 33 86.569 -1.362 11.114 235 HG LEU 33 HG LEU 33 86.281 1.074 10.351 236 HD11 LEU 33 HD11 LEU 33 86.390 0.780 13.349 237 HD12 LEU 33 HD12 LEU 33 85.186 -0.059 12.377 238 HD13 LEU 33 HD13 LEU 33 85.251 1.703 12.378 239 HD21 LEU 33 HD21 LEU 33 88.755 1.593 10.813 240 HD22 LEU 33 HD22 LEU 33 88.302 1.660 12.517 241 HD23 LEU 33 HD23 LEU 33 87.573 2.769 11.375 242 H ARG 34 HN ARG 34 88.450 -2.370 14.163 243 HA ARG 34 HA ARG 34 89.522 -4.830 13.256 244 HB2 ARG 34 HB2 ARG 34 89.225 -4.106 15.673 245 HB3 ARG 34 HB1 ARG 34 87.515 -4.485 15.492 246 HG2 ARG 34 HG2 ARG 34 88.545 -6.440 16.431 247 HG3 ARG 34 HG1 ARG 34 88.192 -6.803 14.743 248 HD2 ARG 34 HD2 ARG 34 90.420 -6.784 14.126 249 HD3 ARG 34 HD1 ARG 34 90.891 -5.660 15.399 250 HE ARG 34 HE ARG 34 90.898 -8.532 15.619 251 HH11 ARG 34 HH11 ARG 34 91.338 -9.396 17.661 252 HH12 ARG 34 HH12 ARG 34 91.181 -8.393 19.065 253 HH21 ARG 34 HH21 ARG 34 90.208 -5.587 17.277 254 HH22 ARG 34 HH22 ARG 34 90.540 -6.238 18.847 255 H VAL 35 HN VAL 35 88.598 -5.798 11.515 256 HA VAL 35 HA VAL 35 85.670 -6.420 11.652 257 HB VAL 35 HB VAL 35 85.642 -6.125 9.167 258 HG11 VAL 35 HG11 VAL 35 84.707 -4.352 10.473 259 HG12 VAL 35 HG12 VAL 35 85.769 -3.573 9.299 260 HG13 VAL 35 HG13 VAL 35 86.305 -3.788 10.968 261 HG21 VAL 35 HG21 VAL 35 87.997 -6.328 8.669 262 HG22 VAL 35 HG22 VAL 35 88.381 -4.954 9.703 263 HG23 VAL 35 HG23 VAL 35 87.479 -4.707 8.210 264 H THR 36 HN THR 36 85.400 -7.909 9.464 265 HA THR 36 HA THR 36 87.522 -9.983 9.443 266 HB THR 36 HB THR 36 85.592 -11.698 9.584 267 HG1 THR 36 HG1 THR 36 84.370 -9.296 10.276 268 HG21 THR 36 HG21 THR 36 87.125 -11.647 11.372 269 HG22 THR 36 HG22 THR 36 85.546 -11.478 12.136 270 HG23 THR 36 HG23 THR 36 86.572 -10.062 11.912 271 H GLY 37 HN GLY 37 86.783 -11.648 7.635 272 HA2 GLY 37 HA2 GLY 37 86.233 -10.039 5.283 273 HA3 GLY 37 HA1 GLY 37 86.578 -11.759 5.281 274 H GLU 38 HN GLU 38 84.068 -9.928 6.984 275 HA GLU 38 HA GLU 38 81.980 -11.172 5.292 276 HB2 GLU 38 HB2 GLU 38 80.811 -12.142 7.117 277 HB3 GLU 38 HB1 GLU 38 82.481 -12.655 7.306 278 HG2 GLU 38 HG2 GLU 38 82.124 -11.916 9.474 279 HG3 GLU 38 HG1 GLU 38 82.593 -10.377 8.752 280 H VAL 39 HN VAL 39 83.259 -8.463 6.620 281 HA VAL 39 HA VAL 39 80.714 -7.230 7.444 282 HB VAL 39 HB VAL 39 81.987 -5.398 8.179 283 HG11 VAL 39 HG11 VAL 39 83.958 -7.637 8.522 284 HG12 VAL 39 HG12 VAL 39 82.363 -7.719 9.268 285 HG13 VAL 39 HG13 VAL 39 83.461 -6.413 9.692 286 HG21 VAL 39 HG21 VAL 39 84.410 -5.119 7.547 287 HG22 VAL 39 HG22 VAL 39 83.307 -4.901 6.200 288 HG23 VAL 39 HG23 VAL 39 84.200 -6.416 6.375 289 H HIS 40 HN HIS 40 79.557 -5.799 6.216 290 HA HIS 40 HA HIS 40 80.188 -5.680 3.358 291 HB2 HIS 40 HB2 HIS 40 78.019 -4.003 4.595 292 HB3 HIS 40 HB1 HIS 40 78.029 -4.876 3.062 293 HD1 HIS 40 HD1 HIS 40 78.494 -7.688 3.676 294 HD2 HIS 40 HD2 HIS 40 76.298 -5.306 6.299 295 HE1 HIS 40 HE1 HIS 40 77.107 -9.269 5.089 296 H ILE 41 HN ILE 41 80.846 -3.824 2.219 297 HA ILE 41 HA ILE 41 82.675 -2.056 3.322 298 HB ILE 41 HB ILE 41 80.698 -1.412 1.122 299 HG12 ILE 41 HG12 ILE 41 83.531 -2.455 0.893 300 HG13 ILE 41 HG11 ILE 41 82.106 -3.492 0.864 301 HG21 ILE 41 HG21 ILE 41 82.610 0.094 0.388 302 HG22 ILE 41 HG22 ILE 41 83.310 -0.155 1.987 303 HG23 ILE 41 HG23 ILE 41 81.735 0.628 1.826 304 HD11 ILE 41 HD11 ILE 41 83.063 -2.650 -1.406 305 HD12 ILE 41 HD12 ILE 41 82.285 -1.125 -0.984 306 HD13 ILE 41 HD13 ILE 41 81.320 -2.591 -1.149 307 H GLY 42 HN GLY 42 79.288 -1.218 2.645 308 HA2 GLY 42 HA2 GLY 42 79.326 1.276 3.900 309 HA3 GLY 42 HA1 GLY 42 77.870 0.298 3.715 310 H GLY 43 HN GLY 43 79.630 -1.794 5.219 311 HA2 GLY 43 HA2 GLY 43 78.533 -1.176 7.860 312 HA3 GLY 43 HA1 GLY 43 79.481 -2.603 7.426 313 H VAL 44 HN VAL 44 81.567 -0.872 6.177 314 HA VAL 44 HA VAL 44 83.135 -0.420 8.620 315 HB VAL 44 HB VAL 44 83.686 -0.418 5.650 316 HG11 VAL 44 HG11 VAL 44 84.958 1.505 6.282 317 HG12 VAL 44 HG12 VAL 44 86.105 0.165 6.296 318 HG13 VAL 44 HG13 VAL 44 85.442 0.774 7.812 319 HG21 VAL 44 HG21 VAL 44 85.156 -1.767 7.922 320 HG22 VAL 44 HG22 VAL 44 85.201 -2.178 6.208 321 HG23 VAL 44 HG23 VAL 44 83.741 -2.483 7.150 322 H MET 45 HN MET 45 82.195 1.719 5.812 323 HA MET 45 HA MET 45 83.284 4.048 6.982 324 HB2 MET 45 HB2 MET 45 81.444 5.287 5.678 325 HB3 MET 45 HB1 MET 45 82.599 4.332 4.760 326 HG2 MET 45 HG2 MET 45 80.906 3.122 3.867 327 HG3 MET 45 HG1 MET 45 80.401 2.598 5.463 328 HE1 MET 45 HE1 MET 45 79.161 3.533 2.529 329 HE2 MET 45 HE2 MET 45 77.687 4.477 2.811 330 HE3 MET 45 HE3 MET 45 77.857 2.885 3.535 331 H LEU 46 HN LEU 46 80.369 2.298 7.761 332 HA LEU 46 HA LEU 46 79.064 4.348 9.313 333 HB2 LEU 46 HB2 LEU 46 77.948 2.230 8.636 334 HB3 LEU 46 HB1 LEU 46 79.045 1.331 9.676 335 HG LEU 46 HG LEU 46 77.927 3.369 11.346 336 HD11 LEU 46 HD11 LEU 46 75.832 2.033 9.611 337 HD12 LEU 46 HD12 LEU 46 76.106 3.766 9.829 338 HD13 LEU 46 HD13 LEU 46 75.486 2.797 11.163 339 HD21 LEU 46 HD21 LEU 46 78.553 1.103 12.073 340 HD22 LEU 46 HD22 LEU 46 77.231 0.422 11.125 341 HD23 LEU 46 HD23 LEU 46 76.881 1.455 12.512 342 H LYS 47 HN LYS 47 80.915 1.512 10.481 343 HA LYS 47 HA LYS 47 81.271 2.339 13.137 344 HB2 LYS 47 HB2 LYS 47 83.303 0.882 11.431 345 HB3 LYS 47 HB1 LYS 47 83.202 0.844 13.193 346 HG2 LYS 47 HG2 LYS 47 81.045 -0.270 13.084 347 HG3 LYS 47 HG1 LYS 47 81.020 -0.099 11.329 348 HD2 LYS 47 HD2 LYS 47 83.142 -1.453 11.236 349 HD3 LYS 47 HD1 LYS 47 82.956 -1.757 12.962 350 HE2 LYS 47 HE2 LYS 47 80.796 -2.400 10.943 351 HE3 LYS 47 HE1 LYS 47 82.029 -3.565 11.434 352 HZ1 LYS 47 HZ1 LYS 47 79.958 -3.731 12.734 353 HZ2 LYS 47 HZ2 LYS 47 80.206 -2.150 13.306 354 HZ3 LYS 47 HZ3 LYS 47 81.309 -3.381 13.698 355 H LEU 48 HN LEU 48 83.554 2.818 10.439 356 HA LEU 48 HA LEU 48 85.560 4.234 11.681 357 HB2 LEU 48 HB2 LEU 48 85.644 3.641 9.328 358 HB3 LEU 48 HB1 LEU 48 84.308 4.723 8.968 359 HG LEU 48 HG LEU 48 85.741 6.660 9.641 360 HD11 LEU 48 HD11 LEU 48 87.833 4.497 9.917 361 HD12 LEU 48 HD12 LEU 48 87.292 5.617 11.167 362 HD13 LEU 48 HD13 LEU 48 88.210 6.210 9.788 363 HD21 LEU 48 HD21 LEU 48 86.688 4.755 7.496 364 HD22 LEU 48 HD22 LEU 48 87.352 6.382 7.673 365 HD23 LEU 48 HD23 LEU 48 85.639 6.161 7.313 366 H VAL 49 HN VAL 49 82.587 5.743 10.325 367 HA VAL 49 HA VAL 49 83.232 8.369 11.308 368 HB VAL 49 HB VAL 49 80.609 7.079 10.524 369 HG11 VAL 49 HG11 VAL 49 79.808 9.518 10.453 370 HG12 VAL 49 HG12 VAL 49 81.209 9.893 11.456 371 HG13 VAL 49 HG13 VAL 49 79.966 8.794 12.053 372 HG21 VAL 49 HG21 VAL 49 82.167 9.291 9.169 373 HG22 VAL 49 HG22 VAL 49 80.871 8.306 8.488 374 HG23 VAL 49 HG23 VAL 49 82.448 7.586 8.812 375 H GLU 50 HN GLU 50 81.147 5.771 12.609 376 HA GLU 50 HA GLU 50 80.176 7.017 14.906 377 HB2 GLU 50 HB2 GLU 50 81.160 4.181 14.535 378 HB3 GLU 50 HB1 GLU 50 80.329 4.720 15.986 379 HG2 GLU 50 HG2 GLU 50 79.181 4.972 13.187 380 HG3 GLU 50 HG1 GLU 50 78.808 3.649 14.293 381 H LYS 51 HN LYS 51 83.383 5.575 14.410 382 HA LYS 51 HA LYS 51 84.285 5.997 17.107 383 HB2 LYS 51 HB2 LYS 51 85.804 5.671 14.509 384 HB3 LYS 51 HB1 LYS 51 86.538 5.636 16.112 385 HG2 LYS 51 HG2 LYS 51 85.050 3.750 16.733 386 HG3 LYS 51 HG1 LYS 51 84.391 3.751 15.097 387 HD2 LYS 51 HD2 LYS 51 86.403 3.012 14.139 388 HD3 LYS 51 HD1 LYS 51 87.363 3.530 15.520 389 HE2 LYS 51 HE2 LYS 51 86.243 1.763 16.900 390 HE3 LYS 51 HE1 LYS 51 85.426 1.205 15.440 391 HZ1 LYS 51 HZ1 LYS 51 87.958 1.283 14.615 392 HZ2 LYS 51 HZ2 LYS 51 87.225 -0.102 15.273 393 HZ3 LYS 51 HZ3 LYS 51 88.191 0.897 16.251 394 H LEU 52 HN LEU 52 84.654 7.903 14.099 395 HA LEU 52 HA LEU 52 86.343 9.908 14.986 396 HB2 LEU 52 HB2 LEU 52 84.734 9.406 12.775 397 HB3 LEU 52 HB1 LEU 52 84.012 10.856 13.432 398 HG LEU 52 HG LEU 52 85.641 11.577 11.888 399 HD11 LEU 52 HD11 LEU 52 86.777 13.091 13.179 400 HD12 LEU 52 HD12 LEU 52 87.375 11.863 14.293 401 HD13 LEU 52 HD13 LEU 52 85.722 12.449 14.436 402 HD21 LEU 52 HD21 LEU 52 87.805 10.709 11.604 403 HD22 LEU 52 HD22 LEU 52 86.867 9.270 11.987 404 HD23 LEU 52 HD23 LEU 52 87.853 10.036 13.231 405 H ASP 53 HN ASP 53 82.813 9.959 15.108 406 HA ASP 53 HA ASP 53 81.330 10.771 16.695 407 HB2 ASP 53 HB2 ASP 53 83.263 9.871 18.197 408 HB3 ASP 53 HB1 ASP 53 83.609 11.567 18.470 409 H VAL 54 HN VAL 54 81.127 12.378 15.000 410 HA VAL 54 HA VAL 54 81.158 15.034 16.045 411 HB VAL 54 HB VAL 54 83.527 14.990 15.659 412 HG11 VAL 54 HG11 VAL 54 83.498 13.012 14.167 413 HG12 VAL 54 HG12 VAL 54 84.497 14.319 13.534 414 HG13 VAL 54 HG13 VAL 54 82.892 14.032 12.862 415 HG21 VAL 54 HG21 VAL 54 83.786 16.788 14.074 416 HG22 VAL 54 HG22 VAL 54 82.222 17.011 14.856 417 HG23 VAL 54 HG23 VAL 54 82.306 16.332 13.233 418 H LYS 55 HN LYS 55 79.610 16.144 14.969 419 HA LYS 55 HA LYS 55 78.159 14.865 12.837 420 HB2 LYS 55 HB2 LYS 55 77.981 17.395 14.389 421 HB3 LYS 55 HB1 LYS 55 77.208 17.417 12.816 422 HG2 LYS 55 HG2 LYS 55 76.712 15.129 14.712 423 HG3 LYS 55 HG1 LYS 55 75.825 16.630 14.873 424 HD2 LYS 55 HD2 LYS 55 75.166 16.415 12.455 425 HD3 LYS 55 HD1 LYS 55 75.851 14.792 12.483 426 HE2 LYS 55 HE2 LYS 55 74.246 14.736 14.720 427 HE3 LYS 55 HE1 LYS 55 73.333 15.809 13.656 428 HZ1 LYS 55 HZ1 LYS 55 74.284 13.070 13.041 429 HZ2 LYS 55 HZ2 LYS 55 73.571 14.113 11.904 430 HZ3 LYS 55 HZ3 LYS 55 72.677 13.573 13.244 431 H LYS 56 HN LYS 56 80.968 15.289 12.151 432 HA LYS 56 HA LYS 56 81.028 17.546 10.270 433 HB2 LYS 56 HB2 LYS 56 83.142 17.002 11.178 434 HB3 LYS 56 HB1 LYS 56 82.929 15.278 10.891 435 HG2 LYS 56 HG2 LYS 56 83.261 15.529 8.546 436 HG3 LYS 56 HG1 LYS 56 83.053 17.279 8.626 437 HD2 LYS 56 HD2 LYS 56 85.147 17.582 9.733 438 HD3 LYS 56 HD1 LYS 56 85.295 15.861 10.081 439 HE2 LYS 56 HE2 LYS 56 86.767 16.323 8.239 440 HE3 LYS 56 HE1 LYS 56 85.375 15.469 7.572 441 HZ1 LYS 56 HZ1 LYS 56 84.412 17.706 7.083 442 HZ2 LYS 56 HZ2 LYS 56 85.798 17.317 6.181 443 HZ3 LYS 56 HZ3 LYS 56 85.910 18.384 7.498 444 H ASP 57 HN ASP 57 80.551 17.455 8.107 445 HA ASP 57 HA ASP 57 78.870 15.485 7.029 446 HB2 ASP 57 HB2 ASP 57 79.461 17.763 6.034 447 HB3 ASP 57 HB1 ASP 57 80.883 16.992 5.347 448 H TRP 58 HN TRP 58 79.272 13.356 6.662 449 HA TRP 58 HA TRP 58 82.054 12.557 5.937 450 HB2 TRP 58 HB2 TRP 58 79.971 11.104 7.568 451 HB3 TRP 58 HB1 TRP 58 81.464 10.373 7.009 452 HD1 TRP 58 HD1 TRP 58 80.133 11.866 9.947 453 HE1 TRP 58 HE1 TRP 58 81.939 12.898 11.462 454 HE3 TRP 58 HE3 TRP 58 84.091 12.002 6.683 455 HZ2 TRP 58 HZ2 TRP 58 84.678 13.683 11.313 456 HZ3 TRP 58 HZ3 TRP 58 86.272 12.898 7.411 457 HH2 TRP 58 HH2 TRP 58 86.575 13.736 9.722 458 H SER 59 HN SER 59 78.617 11.973 5.372 459 HA SER 59 HA SER 59 78.622 9.808 3.645 460 HB2 SER 59 HB2 SER 59 76.649 11.319 4.268 461 HB3 SER 59 HB1 SER 59 77.156 12.347 2.927 462 HG SER 59 HG SER 59 77.175 10.034 1.877 463 H ASP 60 HN ASP 60 79.339 13.185 2.693 464 HA ASP 60 HA ASP 60 79.999 12.646 -0.015 465 HB2 ASP 60 HB2 ASP 60 79.837 14.944 0.760 466 HB3 ASP 60 HB1 ASP 60 81.132 14.685 1.929 467 H HIS 61 HN HIS 61 81.917 12.519 2.951 468 HA HIS 61 HA HIS 61 84.354 11.632 1.686 469 HB2 HIS 61 HB2 HIS 61 83.526 11.191 4.560 470 HB3 HIS 61 HB1 HIS 61 85.160 11.284 3.917 471 HD1 HIS 61 HD1 HIS 61 82.313 13.689 3.168 472 HD2 HIS 61 HD2 HIS 61 86.009 13.661 5.095 473 HE1 HIS 61 HE1 HIS 61 82.815 16.092 3.789 474 H ALA 62 HN ALA 62 84.494 9.728 0.704 475 HA ALA 62 HA ALA 62 83.175 7.348 1.957 476 HB1 ALA 62 HB1 ALA 62 82.117 8.368 -0.213 477 HB2 ALA 62 HB2 ALA 62 82.360 6.622 -0.116 478 HB3 ALA 62 HB3 ALA 62 83.493 7.625 -1.027 479 H LEU 63 HN LEU 63 84.231 5.303 1.104 480 HA LEU 63 HA LEU 63 87.160 5.702 1.149 481 HB2 LEU 63 HB2 LEU 63 86.973 3.032 1.413 482 HB3 LEU 63 HB1 LEU 63 86.718 4.112 2.792 483 HG LEU 63 HG LEU 63 84.310 4.084 2.400 484 HD11 LEU 63 HD11 LEU 63 83.992 3.860 0.117 485 HD12 LEU 63 HD12 LEU 63 83.597 2.242 0.667 486 HD13 LEU 63 HD13 LEU 63 85.193 2.586 -0.011 487 HD21 LEU 63 HD21 LEU 63 83.858 1.884 3.164 488 HD22 LEU 63 HD22 LEU 63 85.491 2.245 3.737 489 HD23 LEU 63 HD23 LEU 63 85.262 1.225 2.317 490 H TRP 64 HN TRP 64 88.561 4.767 -0.306 491 HA TRP 64 HA TRP 64 87.431 3.605 -2.824 492 HB2 TRP 64 HB2 TRP 64 87.880 5.496 -4.035 493 HB3 TRP 64 HB1 TRP 64 88.114 6.321 -2.523 494 HD1 TRP 64 HD1 TRP 64 90.870 5.527 -1.585 495 HE1 TRP 64 HE1 TRP 64 93.000 6.040 -2.935 496 HE3 TRP 64 HE3 TRP 64 88.815 6.185 -6.198 497 HZ2 TRP 64 HZ2 TRP 64 93.725 6.700 -5.626 498 HZ3 TRP 64 HZ3 TRP 64 90.240 6.781 -8.136 499 HH2 TRP 64 HH2 TRP 64 92.688 7.042 -7.856 500 H TRP 65 HN TRP 65 88.878 2.104 -3.780 501 HA TRP 65 HA TRP 65 91.185 1.377 -2.065 502 HB2 TRP 65 HB2 TRP 65 89.432 -0.298 -2.925 503 HB3 TRP 65 HB1 TRP 65 90.223 -0.151 -4.486 504 HD1 TRP 65 HD1 TRP 65 93.023 0.243 -2.340 505 HE1 TRP 65 HE1 TRP 65 94.218 -1.970 -1.821 506 HE3 TRP 65 HE3 TRP 65 89.401 -3.067 -3.770 507 HZ2 TRP 65 HZ2 TRP 65 93.714 -4.781 -1.997 508 HZ3 TRP 65 HZ3 TRP 65 89.792 -5.506 -3.588 509 HH2 TRP 65 HH2 TRP 65 91.941 -6.367 -2.702 510 H GLU 66 HN GLU 66 92.723 3.011 -2.716 511 HA GLU 66 HA GLU 66 93.275 3.784 -5.370 512 HB2 GLU 66 HB2 GLU 66 95.604 4.304 -4.517 513 HB3 GLU 66 HB1 GLU 66 94.280 5.031 -3.620 514 HG2 GLU 66 HG2 GLU 66 94.387 3.196 -1.972 515 HG3 GLU 66 HG1 GLU 66 95.719 2.488 -2.874 516 H LYS 67 HN LYS 67 94.109 0.783 -3.765 517 HA LYS 67 HA LYS 67 96.276 0.105 -5.556 518 HB2 LYS 67 HB2 LYS 67 94.355 -1.861 -4.286 519 HB3 LYS 67 HB1 LYS 67 95.999 -2.180 -4.823 520 HG2 LYS 67 HG2 LYS 67 95.198 -0.369 -2.531 521 HG3 LYS 67 HG1 LYS 67 95.940 -1.956 -2.385 522 HD2 LYS 67 HD2 LYS 67 97.840 -0.953 -3.849 523 HD3 LYS 67 HD1 LYS 67 97.140 0.606 -3.412 524 HE2 LYS 67 HE2 LYS 67 98.539 0.432 -1.594 525 HE3 LYS 67 HE1 LYS 67 97.254 -0.595 -0.948 526 HZ1 LYS 67 HZ1 LYS 67 99.890 -1.298 -1.838 527 HZ2 LYS 67 HZ2 LYS 67 98.684 -2.276 -2.528 528 HZ3 LYS 67 HZ3 LYS 67 98.819 -2.153 -0.839 529 H LYS 68 HN LYS 68 93.023 0.615 -5.889 530 HA LYS 68 HA LYS 68 92.903 -0.700 -8.560 531 HB2 LYS 68 HB2 LYS 68 90.436 -0.452 -6.852 532 HB3 LYS 68 HB1 LYS 68 90.787 -1.604 -8.138 533 HG2 LYS 68 HG2 LYS 68 92.287 -1.641 -5.499 534 HG3 LYS 68 HG1 LYS 68 90.787 -2.504 -5.746 535 HD2 LYS 68 HD2 LYS 68 91.704 -3.891 -7.432 536 HD3 LYS 68 HD1 LYS 68 93.100 -2.836 -7.645 537 HE2 LYS 68 HE2 LYS 68 94.165 -3.637 -5.748 538 HE3 LYS 68 HE1 LYS 68 92.659 -4.062 -4.942 539 HZ1 LYS 68 HZ1 LYS 68 92.461 -5.761 -6.855 540 HZ2 LYS 68 HZ2 LYS 68 93.492 -6.099 -5.548 541 HZ3 LYS 68 HZ3 LYS 68 94.134 -5.536 -7.017 542 H ARG 69 HN ARG 69 92.576 2.078 -6.638 543 HA ARG 69 HA ARG 69 91.707 4.214 -7.062 544 HB2 ARG 69 HB2 ARG 69 92.303 3.215 -9.869 545 HB3 ARG 69 HB1 ARG 69 91.697 4.836 -9.559 546 HG2 ARG 69 HG2 ARG 69 93.998 5.225 -9.566 547 HG3 ARG 69 HG1 ARG 69 93.721 4.954 -7.850 548 HD2 ARG 69 HD2 ARG 69 95.553 3.567 -8.280 549 HD3 ARG 69 HD1 ARG 69 94.202 2.450 -8.427 550 HE ARG 69 HE ARG 69 94.673 2.266 -10.735 551 HH11 ARG 69 HH11 ARG 69 95.921 2.733 -12.564 552 HH12 ARG 69 HH12 ARG 69 96.995 4.091 -12.538 553 HH21 ARG 69 HH21 ARG 69 96.186 5.005 -9.292 554 HH22 ARG 69 HH22 ARG 69 97.144 5.379 -10.685 555 H THR 70 HN THR 70 89.854 2.339 -6.421 556 HA THR 70 HA THR 70 87.589 2.779 -8.348 557 HB THR 70 HB THR 70 88.462 0.416 -7.768 558 HG1 THR 70 HG1 THR 70 85.951 1.418 -7.984 559 HG21 THR 70 HG21 THR 70 88.399 1.106 -5.221 560 HG22 THR 70 HG22 THR 70 88.009 -0.543 -5.709 561 HG23 THR 70 HG23 THR 70 86.714 0.601 -5.355 562 H TRP 71 HN TRP 71 85.503 2.268 -6.840 563 HA TRP 71 HA TRP 71 85.652 3.942 -4.387 564 HB2 TRP 71 HB2 TRP 71 83.227 4.650 -5.084 565 HB3 TRP 71 HB1 TRP 71 84.596 5.503 -5.772 566 HD1 TRP 71 HD1 TRP 71 83.863 2.046 -7.170 567 HE1 TRP 71 HE1 TRP 71 82.878 2.283 -9.495 568 HE3 TRP 71 HE3 TRP 71 83.142 7.100 -7.318 569 HZ2 TRP 71 HZ2 TRP 71 81.919 4.328 -11.257 570 HZ3 TRP 71 HZ3 TRP 71 82.193 8.165 -9.346 571 HH2 TRP 71 HH2 TRP 71 81.582 6.786 -11.314 572 H LEU 72 HN LEU 72 85.513 2.233 -3.025 573 HA LEU 72 HA LEU 72 84.029 -0.120 -3.577 574 HB2 LEU 72 HB2 LEU 72 84.506 0.766 -0.776 575 HB3 LEU 72 HB1 LEU 72 84.519 -0.841 -1.401 576 HG LEU 72 HG LEU 72 86.563 1.030 -2.519 577 HD11 LEU 72 HD11 LEU 72 87.987 0.138 -0.394 578 HD12 LEU 72 HD12 LEU 72 86.422 0.426 0.365 579 HD13 LEU 72 HD13 LEU 72 87.243 1.731 -0.497 580 HD21 LEU 72 HD21 LEU 72 87.762 -1.381 -1.754 581 HD22 LEU 72 HD22 LEU 72 87.240 -0.914 -3.374 582 HD23 LEU 72 HD23 LEU 72 86.169 -1.848 -2.343 583 H LEU 73 HN LEU 73 82.064 0.547 -4.312 584 HA LEU 73 HA LEU 73 80.123 1.564 -2.263 585 HB2 LEU 73 HB2 LEU 73 78.777 2.401 -4.220 586 HB3 LEU 73 HB1 LEU 73 80.308 3.232 -3.984 587 HG LEU 73 HG LEU 73 81.157 1.319 -5.713 588 HD11 LEU 73 HD11 LEU 73 79.428 1.052 -7.490 589 HD12 LEU 73 HD12 LEU 73 78.236 1.750 -6.393 590 HD13 LEU 73 HD13 LEU 73 79.006 0.216 -5.997 591 HD21 LEU 73 HD21 LEU 73 80.950 2.956 -7.493 592 HD22 LEU 73 HD22 LEU 73 81.288 3.812 -5.994 593 HD23 LEU 73 HD23 LEU 73 79.650 3.781 -6.637 594 H LYS 74 HN LYS 74 81.119 -1.189 -3.411 595 HA LYS 74 HA LYS 74 78.567 -2.306 -4.368 596 HB2 LYS 74 HB2 LYS 74 81.371 -3.058 -4.487 597 HB3 LYS 74 HB1 LYS 74 80.444 -4.396 -3.858 598 HG2 LYS 74 HG2 LYS 74 80.595 -4.554 -6.299 599 HG3 LYS 74 HG1 LYS 74 78.930 -4.322 -5.791 600 HD2 LYS 74 HD2 LYS 74 79.727 -2.959 -7.812 601 HD3 LYS 74 HD1 LYS 74 78.906 -2.060 -6.551 602 HE2 LYS 74 HE2 LYS 74 80.919 -1.103 -5.768 603 HE3 LYS 74 HE1 LYS 74 81.899 -2.325 -6.561 604 HZ1 LYS 74 HZ1 LYS 74 80.249 -0.885 -8.394 605 HZ2 LYS 74 HZ2 LYS 74 81.922 -1.179 -8.445 606 HZ3 LYS 74 HZ3 LYS 74 81.314 0.134 -7.554 607 H THR 75 HN THR 75 77.494 -1.662 -2.280 608 HA THR 75 HA THR 75 78.247 -2.881 0.198 609 HB THR 75 HB THR 75 75.337 -2.378 -0.248 610 HG1 THR 75 HG1 THR 75 77.175 -0.235 -0.318 611 HG21 THR 75 HG21 THR 75 75.509 -1.238 1.849 612 HG22 THR 75 HG22 THR 75 77.260 -1.091 1.705 613 HG23 THR 75 HG23 THR 75 76.528 -2.670 1.993 614 H HIS 76 HN HIS 76 76.559 -4.041 -2.609 615 HA HIS 76 HA HIS 76 75.457 -6.408 -1.257 616 HB2 HIS 76 HB2 HIS 76 74.374 -5.311 -3.267 617 HB3 HIS 76 HB1 HIS 76 75.730 -5.890 -4.234 618 HD1 HIS 76 HD1 HIS 76 74.536 -8.081 -1.477 619 HD2 HIS 76 HD2 HIS 76 73.923 -7.708 -5.584 620 HE1 HIS 76 HE1 HIS 76 73.378 -10.206 -2.226 621 H TRP 77 HN TRP 77 77.672 -6.933 -0.409 622 HA TRP 77 HA TRP 77 78.864 -9.206 -1.382 623 HB2 TRP 77 HB2 TRP 77 79.700 -6.837 -2.974 624 HB3 TRP 77 HB1 TRP 77 81.041 -7.753 -2.326 625 HD1 TRP 77 HD1 TRP 77 81.759 -8.519 -4.688 626 HE1 TRP 77 HE1 TRP 77 80.920 -10.354 -6.272 627 HE3 TRP 77 HE3 TRP 77 77.114 -9.520 -2.639 628 HZ2 TRP 77 HZ2 TRP 77 78.653 -12.005 -6.649 629 HZ3 TRP 77 HZ3 TRP 77 75.679 -11.230 -3.662 630 HH2 TRP 77 HH2 TRP 77 76.432 -12.476 -5.661 631 H THR 78 HN THR 78 81.553 -8.860 -0.759 632 HA THR 78 HA THR 78 81.668 -7.206 1.680 633 HB THR 78 HB THR 78 82.619 -9.934 2.267 634 HG1 THR 78 HG1 THR 78 80.854 -10.282 0.743 635 HG21 THR 78 HG21 THR 78 82.225 -8.650 4.170 636 HG22 THR 78 HG22 THR 78 80.761 -9.628 4.079 637 HG23 THR 78 HG23 THR 78 80.725 -7.955 3.540 638 H LEU 79 HN LEU 79 83.953 -8.037 2.749 639 HA LEU 79 HA LEU 79 85.997 -7.033 1.026 640 HB2 LEU 79 HB2 LEU 79 86.071 -8.652 3.564 641 HB3 LEU 79 HB1 LEU 79 87.539 -8.103 2.779 642 HG LEU 79 HG LEU 79 86.913 -5.784 3.096 643 HD11 LEU 79 HD11 LEU 79 84.794 -5.286 4.417 644 HD12 LEU 79 HD12 LEU 79 84.308 -6.946 4.096 645 HD13 LEU 79 HD13 LEU 79 84.537 -5.818 2.757 646 HD21 LEU 79 HD21 LEU 79 86.608 -5.798 5.654 647 HD22 LEU 79 HD22 LEU 79 88.003 -6.676 5.022 648 HD23 LEU 79 HD23 LEU 79 86.561 -7.559 5.529 649 H ASP 80 HN ASP 80 85.483 -10.283 2.347 650 HA ASP 80 HA ASP 80 87.313 -11.800 0.949 651 HB2 ASP 80 HB2 ASP 80 85.640 -12.649 2.583 652 HB3 ASP 80 HB1 ASP 80 84.399 -12.524 1.338 653 H LYS 81 HN LYS 81 84.063 -10.955 -0.198 654 HA LYS 81 HA LYS 81 84.069 -12.173 -2.675 655 HB2 LYS 81 HB2 LYS 81 83.108 -9.329 -2.373 656 HB3 LYS 81 HB1 LYS 81 82.442 -10.614 -3.374 657 HG2 LYS 81 HG2 LYS 81 82.368 -10.421 -0.367 658 HG3 LYS 81 HG1 LYS 81 80.993 -10.379 -1.474 659 HD2 LYS 81 HD2 LYS 81 81.799 -12.717 -2.233 660 HD3 LYS 81 HD1 LYS 81 82.749 -12.718 -0.752 661 HE2 LYS 81 HE2 LYS 81 80.743 -13.744 -0.084 662 HE3 LYS 81 HE1 LYS 81 80.499 -12.068 0.404 663 HZ1 LYS 81 HZ1 LYS 81 79.137 -11.656 -1.419 664 HZ2 LYS 81 HZ2 LYS 81 78.651 -13.199 -0.902 665 HZ3 LYS 81 HZ3 LYS 81 79.660 -13.034 -2.258 666 H TYR 82 HN TYR 82 85.261 -8.888 -2.016 667 HA TYR 82 HA TYR 82 86.450 -8.674 -4.671 668 HB2 TYR 82 HB2 TYR 82 86.323 -6.984 -2.212 669 HB3 TYR 82 HB1 TYR 82 87.710 -6.702 -3.262 670 HD1 TYR 82 HD1 TYR 82 87.454 -5.775 -5.477 671 HD2 TYR 82 HD2 TYR 82 84.017 -6.627 -3.047 672 HE1 TYR 82 HE1 TYR 82 86.032 -4.472 -7.035 673 HE2 TYR 82 HE2 TYR 82 82.594 -5.322 -4.605 674 HH TYR 82 HH TYR 82 83.313 -4.609 -7.586 675 H GLY 83 HN GLY 83 87.691 -9.404 -1.423 676 HA2 GLY 83 HA2 GLY 83 89.505 -11.111 -1.273 677 HA3 GLY 83 HA1 GLY 83 90.240 -10.369 -2.697 678 H ILE 84 HN ILE 84 88.831 -8.061 -0.728 679 HA ILE 84 HA ILE 84 91.280 -6.754 -0.103 680 HB ILE 84 HB ILE 84 88.537 -6.514 1.175 681 HG12 ILE 84 HG12 ILE 84 89.782 -4.636 -0.830 682 HG13 ILE 84 HG11 ILE 84 88.931 -6.080 -1.370 683 HG21 ILE 84 HG21 ILE 84 89.303 -4.263 1.869 684 HG22 ILE 84 HG22 ILE 84 90.905 -4.615 1.231 685 HG23 ILE 84 HG23 ILE 84 90.284 -5.520 2.609 686 HD11 ILE 84 HD11 ILE 84 87.531 -3.943 -1.188 687 HD12 ILE 84 HD12 ILE 84 87.697 -4.112 0.559 688 HD13 ILE 84 HD13 ILE 84 86.885 -5.369 -0.376 689 H GLN 85 HN GLN 85 92.215 -6.452 2.034 690 HA GLN 85 HA GLN 85 91.495 -8.214 4.224 691 HB2 GLN 85 HB2 GLN 85 92.919 -9.521 2.339 692 HB3 GLN 85 HB1 GLN 85 94.259 -8.779 3.202 693 HG2 GLN 85 HG2 GLN 85 94.053 -10.738 4.439 694 HG3 GLN 85 HG1 GLN 85 92.942 -9.709 5.341 695 HE21 GLN 85 HE21 GLN 85 90.743 -9.677 3.582 696 HE22 GLN 85 HE22 GLN 85 90.098 -11.235 3.473 697 H ALA 86 HN ALA 86 93.915 -8.219 5.584 698 HA ALA 86 HA ALA 86 94.077 -5.495 6.509 699 HB1 ALA 86 HB1 ALA 86 95.601 -8.030 7.059 700 HB2 ALA 86 HB2 ALA 86 94.534 -7.132 8.140 701 HB3 ALA 86 HB3 ALA 86 96.135 -6.500 7.757 702 H ASP 87 HN ASP 87 95.830 -7.339 4.129 703 HA ASP 87 HA ASP 87 98.130 -5.544 4.080 704 HB2 ASP 87 HB2 ASP 87 98.631 -6.787 1.931 705 HB3 ASP 87 HB1 ASP 87 98.481 -7.815 3.357 706 H ALA 88 HN ALA 88 94.962 -5.352 3.057 707 HA ALA 88 HA ALA 88 95.532 -3.588 0.729 708 HB1 ALA 88 HB1 ALA 88 93.083 -4.926 1.855 709 HB2 ALA 88 HB2 ALA 88 93.834 -5.201 0.288 710 HB3 ALA 88 HB3 ALA 88 92.963 -3.696 0.597 711 H LYS 89 HN LYS 89 95.852 -1.459 1.331 712 HA LYS 89 HA LYS 89 94.488 -0.439 3.766 713 HB2 LYS 89 HB2 LYS 89 96.316 1.223 2.047 714 HB3 LYS 89 HB1 LYS 89 96.014 1.331 3.780 715 HG2 LYS 89 HG2 LYS 89 97.440 -0.993 2.450 716 HG3 LYS 89 HG1 LYS 89 98.248 0.378 3.185 717 HD2 LYS 89 HD2 LYS 89 97.517 -0.177 5.360 718 HD3 LYS 89 HD1 LYS 89 96.269 -1.262 4.756 719 HE2 LYS 89 HE2 LYS 89 98.229 -2.497 5.652 720 HE3 LYS 89 HE1 LYS 89 97.942 -2.816 3.940 721 HZ1 LYS 89 HZ1 LYS 89 99.689 -0.576 4.539 722 HZ2 LYS 89 HZ2 LYS 89 99.820 -1.767 3.334 723 HZ3 LYS 89 HZ3 LYS 89 100.307 -2.107 4.925 724 H LEU 90 HN LEU 90 92.576 0.388 3.558 725 HA LEU 90 HA LEU 90 91.675 1.545 0.980 726 HB2 LEU 90 HB2 LEU 90 90.026 1.347 3.495 727 HB3 LEU 90 HB1 LEU 90 89.471 1.415 1.825 728 HG LEU 90 HG LEU 90 90.912 -0.864 3.181 729 HD11 LEU 90 HD11 LEU 90 88.865 -2.100 2.716 730 HD12 LEU 90 HD12 LEU 90 88.198 -0.721 1.841 731 HD13 LEU 90 HD13 LEU 90 88.455 -0.620 3.583 732 HD21 LEU 90 HD21 LEU 90 90.272 -0.356 0.267 733 HD22 LEU 90 HD22 LEU 90 90.502 -1.991 0.897 734 HD23 LEU 90 HD23 LEU 90 91.819 -0.822 0.982 735 H GLN 91 HN GLN 91 90.226 3.654 1.416 736 HA GLN 91 HA GLN 91 91.666 5.430 3.367 737 HB2 GLN 91 HB2 GLN 91 90.935 6.348 0.573 738 HB3 GLN 91 HB1 GLN 91 91.919 7.188 1.762 739 HG2 GLN 91 HG2 GLN 91 93.778 5.812 1.393 740 HG3 GLN 91 HG1 GLN 91 92.824 4.513 0.724 741 HE21 GLN 91 HE21 GLN 91 91.883 7.583 -0.422 742 HE22 GLN 91 HE22 GLN 91 92.653 7.488 -1.922 743 H PHE 92 HN PHE 92 90.343 7.568 3.518 744 HA PHE 92 HA PHE 92 87.461 7.133 2.968 745 HB2 PHE 92 HB2 PHE 92 87.997 6.300 5.284 746 HB3 PHE 92 HB1 PHE 92 88.465 7.937 5.711 747 HD1 PHE 92 HD1 PHE 92 85.622 6.173 3.978 748 HD2 PHE 92 HD2 PHE 92 86.811 9.242 6.744 749 HE1 PHE 92 HE1 PHE 92 83.243 6.704 4.417 750 HE2 PHE 92 HE2 PHE 92 84.430 9.763 7.183 751 HZ PHE 92 HZ PHE 92 82.646 8.498 6.020 752 H THR 93 HN THR 93 87.416 8.784 1.512 753 HA THR 93 HA THR 93 87.605 11.519 2.579 754 HB THR 93 HB THR 93 89.921 11.061 2.075 755 HG1 THR 93 HG1 THR 93 90.224 12.780 0.854 756 HG21 THR 93 HG21 THR 93 89.612 9.111 0.639 757 HG22 THR 93 HG22 THR 93 90.588 10.311 -0.210 758 HG23 THR 93 HG23 THR 93 88.885 10.119 -0.613 759 HA PRO 94 HA PRO 94 84.369 12.611 -0.328 760 HB2 PRO 94 HB2 PRO 94 86.468 14.517 -1.346 761 HB3 PRO 94 HB1 PRO 94 84.733 14.800 -1.078 762 HG2 PRO 94 HG2 PRO 94 86.553 15.595 0.706 763 HG3 PRO 94 HG1 PRO 94 84.975 14.963 1.213 764 HD2 PRO 94 HD2 PRO 94 87.643 13.714 1.494 765 HD3 PRO 94 HD1 PRO 94 86.141 13.340 2.357 766 H TYR 541 HT1 TYR 541 51.454 40.103 11.185 767 HA TYR 541 HA TYR 541 50.088 40.131 13.027 768 HB2 TYR 541 HB2 TYR 541 49.383 42.932 12.116 769 HB3 TYR 541 HB1 TYR 541 48.520 42.093 13.405 770 HD1 TYR 541 HD1 TYR 541 49.757 41.357 15.461 771 HD2 TYR 541 HD2 TYR 541 51.552 43.877 12.484 772 HE1 TYR 541 HE1 TYR 541 51.528 42.000 17.075 773 HE2 TYR 541 HE2 TYR 541 53.323 44.522 14.096 774 HH TYR 541 HH TYR 541 53.956 42.856 16.890 775 H HIS 542 HN HIS 542 49.617 40.434 9.749 776 HA HIS 542 HA HIS 542 46.818 39.364 9.917 777 HB2 HIS 542 HB2 HIS 542 48.073 41.451 8.180 778 HB3 HIS 542 HB1 HIS 542 46.961 40.349 7.382 779 HD1 HIS 542 HD1 HIS 542 46.761 41.882 10.871 780 HD2 HIS 542 HD2 HIS 542 44.580 41.768 7.320 781 HE1 HIS 542 HE1 HIS 542 44.591 43.106 11.324 782 H GLU 543 HN GLU 543 49.740 39.467 7.861 783 HA GLU 543 HA GLU 543 49.086 36.950 6.544 784 HB2 GLU 543 HB2 GLU 543 51.517 37.173 5.757 785 HB3 GLU 543 HB1 GLU 543 50.433 38.489 5.298 786 HG2 GLU 543 HG2 GLU 543 51.330 39.968 6.880 787 HG3 GLU 543 HG1 GLU 543 51.972 38.667 7.886 788 H ARG 544 HN ARG 544 49.745 37.429 9.621 789 HA ARG 544 HA ARG 544 50.939 36.362 11.324 790 HB2 ARG 544 HB2 ARG 544 49.863 34.168 9.577 791 HB3 ARG 544 HB1 ARG 544 50.337 33.958 11.267 792 HG2 ARG 544 HG2 ARG 544 48.289 35.968 10.294 793 HG3 ARG 544 HG1 ARG 544 47.876 34.399 10.928 794 HD2 ARG 544 HD2 ARG 544 49.527 35.364 12.919 795 HD3 ARG 544 HD1 ARG 544 48.723 36.829 12.372 796 HE ARG 544 HE ARG 544 47.563 34.925 14.076 797 HH11 ARG 544 HH11 ARG 544 45.360 34.519 14.239 798 HH12 ARG 544 HH12 ARG 544 44.301 35.014 12.962 799 HH21 ARG 544 HH21 ARG 544 46.821 36.387 11.034 800 HH22 ARG 544 HH22 ARG 544 45.129 36.061 11.150 801 H ARG 545 HN ARG 545 52.279 33.910 11.379 802 HA ARG 545 HA ARG 545 54.721 34.541 9.766 803 HB2 ARG 545 HB2 ARG 545 55.787 33.088 11.613 804 HB3 ARG 545 HB1 ARG 545 55.262 34.704 12.053 805 HG2 ARG 545 HG2 ARG 545 53.229 32.522 12.347 806 HG3 ARG 545 HG1 ARG 545 54.572 32.494 13.479 807 HD2 ARG 545 HD2 ARG 545 54.087 34.888 14.048 808 HD3 ARG 545 HD1 ARG 545 52.658 34.800 13.018 809 HE ARG 545 HE ARG 545 52.354 32.660 14.748 810 HH11 ARG 545 HH11 ARG 545 51.282 32.836 16.731 811 HH12 ARG 545 HH12 ARG 545 51.186 34.378 17.514 812 HH21 ARG 545 HH21 ARG 545 52.950 36.043 15.034 813 HH22 ARG 545 HH22 ARG 545 52.131 36.194 16.553 814 H GLY 546 HN GLY 546 56.049 32.123 10.099 815 HA2 GLY 546 HA2 GLY 546 54.529 30.386 8.243 816 HA3 GLY 546 HA1 GLY 546 56.242 30.234 8.641 817 H SER 547 HN SER 547 56.860 29.003 10.434 818 HA SER 547 HA SER 547 54.838 27.943 12.280 819 HB2 SER 547 HB2 SER 547 56.043 26.296 10.075 820 HB3 SER 547 HB1 SER 547 55.752 25.532 11.636 821 HG SER 547 HG SER 547 53.580 26.200 11.468 822 H LEU 548 HN LEU 548 55.933 28.145 14.178 823 HA LEU 548 HA LEU 548 58.740 28.488 14.326 824 HB2 LEU 548 HB2 LEU 548 56.499 28.182 16.232 825 HB3 LEU 548 HB1 LEU 548 58.052 27.665 16.874 826 HG LEU 548 HG LEU 548 58.994 29.897 16.086 827 HD11 LEU 548 HD11 LEU 548 57.146 31.684 15.868 828 HD12 LEU 548 HD12 LEU 548 56.069 30.333 15.520 829 HD13 LEU 548 HD13 LEU 548 57.453 30.649 14.480 830 HD21 LEU 548 HD21 LEU 548 58.311 31.042 18.028 831 HD22 LEU 548 HD22 LEU 548 58.164 29.338 18.454 832 HD23 LEU 548 HD23 LEU 548 56.728 30.268 18.031 833 H CYS 549 HN CYS 549 60.431 27.089 14.604 834 HA CYS 549 HA CYS 549 59.852 24.217 14.277 835 HB2 CYS 549 HB2 CYS 549 61.756 24.887 13.051 836 HB3 CYS 549 HB1 CYS 549 62.314 25.963 14.318 837 H SER 550 HN SER 550 59.050 23.419 16.148 838 HA SER 550 HA SER 550 59.455 24.351 18.735 839 HB2 SER 550 HB2 SER 550 57.733 22.781 18.413 840 HB3 SER 550 HB1 SER 550 58.830 21.562 17.774 841 HG SER 550 HG SER 550 59.827 21.537 19.858 842 H GLY 551 HN GLY 551 61.066 24.408 20.048 843 HA2 GLY 551 HA2 GLY 551 62.988 23.321 21.186 844 HA3 GLY 551 HA1 GLY 551 63.428 22.608 19.627 845 H CYS 552 HN CYS 552 62.742 24.908 18.100 846 HA CYS 552 HA CYS 552 65.058 26.691 18.728 847 HB2 CYS 552 HB2 CYS 552 63.605 25.834 16.237 848 HB3 CYS 552 HB1 CYS 552 64.457 27.369 16.250 849 H GLN 553 HN GLN 553 61.650 26.476 17.955 850 HA GLN 553 HA GLN 553 59.945 27.991 18.029 851 HB2 GLN 553 HB2 GLN 553 61.654 29.143 20.214 852 HB3 GLN 553 HB1 GLN 553 59.993 29.641 19.883 853 HG2 GLN 553 HG2 GLN 553 60.814 26.785 20.412 854 HG3 GLN 553 HG1 GLN 553 60.184 27.857 21.647 855 HE21 GLN 553 HE21 GLN 553 59.362 26.192 18.633 856 HE22 GLN 553 HE22 GLN 553 57.678 26.260 18.841 857 H LYS 554 HN LYS 554 61.204 28.388 15.963 858 HA LYS 554 HA LYS 554 61.257 31.319 15.573 859 HB2 LYS 554 HB2 LYS 554 63.365 29.427 14.516 860 HB3 LYS 554 HB1 LYS 554 63.212 31.108 14.034 861 HG2 LYS 554 HG2 LYS 554 63.649 30.186 16.886 862 HG3 LYS 554 HG1 LYS 554 64.939 30.721 15.815 863 HD2 LYS 554 HD2 LYS 554 63.441 32.872 15.534 864 HD3 LYS 554 HD1 LYS 554 62.704 32.324 17.038 865 HE2 LYS 554 HE2 LYS 554 65.668 32.810 16.628 866 HE3 LYS 554 HE1 LYS 554 64.562 33.902 17.462 867 HZ1 LYS 554 HZ1 LYS 554 64.040 31.691 18.777 868 HZ2 LYS 554 HZ2 LYS 554 65.312 32.724 19.227 869 HZ3 LYS 554 HZ3 LYS 554 65.631 31.324 18.318 870 HA PRO 555 HA PRO 555 58.256 29.827 12.516 871 HB2 PRO 555 HB2 PRO 555 59.226 32.125 10.910 872 HB3 PRO 555 HB1 PRO 555 57.580 31.677 11.352 873 HG2 PRO 555 HG2 PRO 555 58.960 33.720 12.562 874 HG3 PRO 555 HG1 PRO 555 57.671 32.815 13.361 875 HD2 PRO 555 HD2 PRO 555 60.568 32.770 13.922 876 HD3 PRO 555 HD1 PRO 555 59.230 32.132 14.911 877 H ILE 556 HN ILE 556 58.358 28.435 10.908 878 HA ILE 556 HA ILE 556 60.938 27.954 9.521 879 HB ILE 556 HB ILE 556 58.358 26.379 9.786 880 HG12 ILE 556 HG12 ILE 556 61.084 25.509 10.743 881 HG13 ILE 556 HG11 ILE 556 60.157 26.622 11.727 882 HG21 ILE 556 HG21 ILE 556 59.778 24.560 8.724 883 HG22 ILE 556 HG22 ILE 556 60.896 25.831 8.244 884 HG23 ILE 556 HG23 ILE 556 59.237 25.840 7.645 885 HD11 ILE 556 HD11 ILE 556 58.597 25.031 12.301 886 HD12 ILE 556 HD12 ILE 556 59.927 23.934 11.950 887 HD13 ILE 556 HD13 ILE 556 58.682 24.219 10.737 888 H THR 557 HN THR 557 60.938 29.500 7.846 889 HA THR 557 HA THR 557 58.491 29.759 6.168 890 HB THR 557 HB THR 557 59.619 31.747 5.259 891 HG1 THR 557 HG1 THR 557 61.754 30.521 6.185 892 HG21 THR 557 HG21 THR 557 58.263 32.081 7.204 893 HG22 THR 557 HG22 THR 557 59.751 32.989 7.474 894 HG23 THR 557 HG23 THR 557 59.510 31.430 8.267 895 H GLY 558 HN GLY 558 58.583 27.902 4.924 896 HA2 GLY 558 HA2 GLY 558 59.581 27.836 2.417 897 HA3 GLY 558 HA1 GLY 558 60.968 27.242 3.343 898 H ARG 559 HN ARG 559 60.865 25.234 4.285 899 HA ARG 559 HA ARG 559 58.458 23.552 3.701 900 HB2 ARG 559 HB2 ARG 559 61.423 23.013 3.645 901 HB3 ARG 559 HB1 ARG 559 60.330 21.688 4.037 902 HG2 ARG 559 HG2 ARG 559 59.768 23.403 1.626 903 HG3 ARG 559 HG1 ARG 559 60.996 22.144 1.522 904 HD2 ARG 559 HD2 ARG 559 59.447 20.419 1.887 905 HD3 ARG 559 HD1 ARG 559 58.270 21.497 2.635 906 HE ARG 559 HE ARG 559 58.474 22.439 0.037 907 HH11 ARG 559 HH11 ARG 559 57.144 21.686 -1.630 908 HH12 ARG 559 HH12 ARG 559 56.444 20.106 -1.515 909 HH21 ARG 559 HH21 ARG 559 57.878 19.405 1.563 910 HH22 ARG 559 HH22 ARG 559 56.859 18.815 0.293 911 H CYS 560 HN CYS 560 57.845 22.108 5.448 912 HA CYS 560 HA CYS 560 59.250 22.524 8.021 913 HB2 CYS 560 HB2 CYS 560 57.128 23.005 9.198 914 HB3 CYS 560 HB1 CYS 560 57.557 24.269 8.043 915 HG CYS 560 HG CYS 560 55.748 23.377 6.415 916 H ILE 561 HN ILE 561 59.520 20.731 9.032 917 HA ILE 561 HA ILE 561 57.994 18.332 8.241 918 HB ILE 561 HB ILE 561 60.342 18.759 10.111 919 HG12 ILE 561 HG12 ILE 561 60.061 17.669 7.318 920 HG13 ILE 561 HG11 ILE 561 60.822 19.189 7.760 921 HG21 ILE 561 HG21 ILE 561 58.892 16.731 10.662 922 HG22 ILE 561 HG22 ILE 561 60.556 16.359 10.215 923 HG23 ILE 561 HG23 ILE 561 59.263 16.136 9.041 924 HD11 ILE 561 HD11 ILE 561 62.604 17.621 7.467 925 HD12 ILE 561 HD12 ILE 561 61.762 16.392 8.417 926 HD13 ILE 561 HD13 ILE 561 62.404 17.836 9.205 927 H THR 562 HN THR 562 56.753 17.234 9.683 928 HA THR 562 HA THR 562 56.053 18.646 12.225 929 HB THR 562 HB THR 562 54.134 16.896 10.704 930 HG1 THR 562 HG1 THR 562 53.752 18.493 9.416 931 HG21 THR 562 HG21 THR 562 53.663 19.123 12.692 932 HG22 THR 562 HG22 THR 562 53.819 17.428 13.162 933 HG23 THR 562 HG23 THR 562 52.491 17.938 12.116 934 H ALA 563 HN ALA 563 55.712 17.418 14.007 935 HA ALA 563 HA ALA 563 56.532 14.547 13.834 936 HB1 ALA 563 HB1 ALA 563 57.728 14.861 15.915 937 HB2 ALA 563 HB2 ALA 563 57.122 16.515 16.049 938 HB3 ALA 563 HB3 ALA 563 58.263 16.096 14.766 939 H MET 564 HN MET 564 56.081 15.045 16.914 940 HA MET 564 HA MET 564 53.556 13.713 17.094 941 HB2 MET 564 HB2 MET 564 54.732 15.364 19.318 942 HB3 MET 564 HB1 MET 564 53.896 13.813 19.409 943 HG2 MET 564 HG2 MET 564 55.884 12.867 18.059 944 HG3 MET 564 HG1 MET 564 56.701 14.376 18.454 945 HE1 MET 564 HE1 MET 564 54.739 11.491 19.550 946 HE2 MET 564 HE2 MET 564 54.223 12.204 21.075 947 HE3 MET 564 HE3 MET 564 55.432 10.923 21.075 948 H ALA 565 HN ALA 565 53.714 16.278 15.668 949 HA ALA 565 HA ALA 565 51.807 17.702 15.195 950 HB1 ALA 565 HB1 ALA 565 50.495 18.696 16.935 951 HB2 ALA 565 HB2 ALA 565 51.613 18.161 18.184 952 HB3 ALA 565 HB3 ALA 565 50.607 16.984 17.330 953 H LYS 566 HN LYS 566 54.695 17.744 16.830 954 HA LYS 566 HA LYS 566 54.962 20.665 17.054 955 HB2 LYS 566 HB2 LYS 566 56.637 18.253 17.606 956 HB3 LYS 566 HB1 LYS 566 57.515 19.731 17.237 957 HG2 LYS 566 HG2 LYS 566 56.573 20.886 19.075 958 HG3 LYS 566 HG1 LYS 566 55.306 19.683 19.294 959 HD2 LYS 566 HD2 LYS 566 58.177 18.801 19.511 960 HD3 LYS 566 HD1 LYS 566 57.462 19.683 20.854 961 HE2 LYS 566 HE2 LYS 566 55.889 18.004 21.296 962 HE3 LYS 566 HE1 LYS 566 55.956 17.365 19.649 963 HZ1 LYS 566 HZ1 LYS 566 57.379 15.870 20.422 964 HZ2 LYS 566 HZ2 LYS 566 57.502 16.647 21.928 965 HZ3 LYS 566 HZ3 LYS 566 58.509 17.115 20.642 966 H LYS 567 HN LYS 567 56.610 21.822 15.761 967 HA LYS 567 HA LYS 567 56.750 20.759 12.968 968 HB2 LYS 567 HB2 LYS 567 57.442 23.576 13.730 969 HB3 LYS 567 HB1 LYS 567 56.772 22.977 12.224 970 HG2 LYS 567 HG2 LYS 567 55.302 23.162 14.877 971 HG3 LYS 567 HG1 LYS 567 55.074 24.222 13.496 972 HD2 LYS 567 HD2 LYS 567 54.559 21.215 13.452 973 HD3 LYS 567 HD1 LYS 567 53.318 22.456 13.634 974 HE2 LYS 567 HE2 LYS 567 54.293 23.452 11.434 975 HE3 LYS 567 HE1 LYS 567 55.034 21.866 11.239 976 HZ1 LYS 567 HZ1 LYS 567 52.677 22.327 10.297 977 HZ2 LYS 567 HZ2 LYS 567 52.180 22.045 11.897 978 HZ3 LYS 567 HZ3 LYS 567 53.014 20.839 11.038 979 H PHE 568 HN PHE 568 58.944 21.603 11.874 980 HA PHE 568 HA PHE 568 61.170 21.753 13.784 981 HB2 PHE 568 HB2 PHE 568 60.277 19.176 12.735 982 HB3 PHE 568 HB1 PHE 568 61.928 19.477 12.229 983 HD1 PHE 568 HD1 PHE 568 63.518 20.423 14.145 984 HD2 PHE 568 HD2 PHE 568 59.894 18.223 14.846 985 HE1 PHE 568 HE1 PHE 568 64.323 19.817 16.410 986 HE2 PHE 568 HE2 PHE 568 60.701 17.617 17.111 987 HZ PHE 568 HZ PHE 568 62.915 18.414 17.893 988 H HIS 569 HN HIS 569 62.902 22.714 12.839 989 HA HIS 569 HA HIS 569 62.743 23.881 10.264 990 HB2 HIS 569 HB2 HIS 569 64.979 23.234 12.144 991 HB3 HIS 569 HB1 HIS 569 65.387 23.773 10.527 992 HD2 HIS 569 HD2 HIS 569 63.786 26.368 9.981 993 HE1 HIS 569 HE1 HIS 569 64.502 27.538 13.965 994 HA PRO 570 HA PRO 570 63.003 19.834 8.132 995 HB2 PRO 570 HB2 PRO 570 63.947 21.575 5.889 996 HB3 PRO 570 HB1 PRO 570 62.679 20.339 5.896 997 HG2 PRO 570 HG2 PRO 570 62.111 23.003 5.904 998 HG3 PRO 570 HG1 PRO 570 61.066 21.804 6.674 999 HD2 PRO 570 HD2 PRO 570 62.820 23.829 7.948 1000 HD3 PRO 570 HD1 PRO 570 61.421 22.958 8.625 1001 H GLU 571 HN GLU 571 65.480 22.068 8.858 1002 HA GLU 571 HA GLU 571 67.645 20.337 7.799 1003 HB2 GLU 571 HB2 GLU 571 68.074 22.933 9.260 1004 HB3 GLU 571 HB1 GLU 571 69.062 22.186 8.006 1005 HG2 GLU 571 HG2 GLU 571 67.090 22.516 6.436 1006 HG3 GLU 571 HG1 GLU 571 66.381 23.525 7.702 1007 H HIS 572 HN HIS 572 66.770 22.012 10.823 1008 HA HIS 572 HA HIS 572 68.701 20.736 12.465 1009 HB2 HIS 572 HB2 HIS 572 65.940 21.606 13.366 1010 HB3 HIS 572 HB1 HIS 572 67.391 21.477 14.361 1011 HD2 HIS 572 HD2 HIS 572 69.194 22.890 11.721 1012 HE1 HIS 572 HE1 HIS 572 67.119 26.336 12.968 1013 H PHE 573 HN PHE 573 66.243 19.286 10.787 1014 HA PHE 573 HA PHE 573 66.305 16.899 12.613 1015 HB2 PHE 573 HB2 PHE 573 64.042 18.203 12.328 1016 HB3 PHE 573 HB1 PHE 573 64.024 17.465 10.734 1017 HD1 PHE 573 HD1 PHE 573 63.499 15.149 10.435 1018 HD2 PHE 573 HD2 PHE 573 64.151 16.737 14.373 1019 HE1 PHE 573 HE1 PHE 573 62.656 13.037 11.426 1020 HE2 PHE 573 HE2 PHE 573 63.309 14.625 15.364 1021 HZ PHE 573 HZ PHE 573 62.561 12.775 13.891 1022 H VAL 574 HN VAL 574 68.278 17.130 10.889 1023 HA VAL 574 HA VAL 574 67.608 15.929 8.295 1024 HB VAL 574 HB VAL 574 70.069 16.127 7.880 1025 HG11 VAL 574 HG11 VAL 574 69.354 18.048 6.935 1026 HG12 VAL 574 HG12 VAL 574 69.709 18.884 8.426 1027 HG13 VAL 574 HG13 VAL 574 68.092 18.236 8.137 1028 HG21 VAL 574 HG21 VAL 574 71.324 17.569 9.519 1029 HG22 VAL 574 HG22 VAL 574 70.877 15.986 10.163 1030 HG23 VAL 574 HG23 VAL 574 69.962 17.427 10.624 1031 H CYS 575 HN CYS 575 69.350 14.211 7.593 1032 HA CYS 575 HA CYS 575 69.097 11.881 9.344 1033 HB2 CYS 575 HB2 CYS 575 69.183 10.935 7.281 1034 HB3 CYS 575 HB1 CYS 575 69.726 12.450 6.583 1035 H ALA 576 HN ALA 576 70.903 10.765 10.408 1036 HA ALA 576 HA ALA 576 73.145 12.696 10.899 1037 HB1 ALA 576 HB1 ALA 576 73.749 10.964 12.686 1038 HB2 ALA 576 HB2 ALA 576 72.214 10.184 12.300 1039 HB3 ALA 576 HB3 ALA 576 72.233 11.837 12.916 1040 H PHE 577 HN PHE 577 73.872 12.268 8.726 1041 HA PHE 577 HA PHE 577 76.172 10.518 8.778 1042 HB2 PHE 577 HB2 PHE 577 74.332 9.107 7.582 1043 HB3 PHE 577 HB1 PHE 577 74.405 10.314 6.304 1044 HD1 PHE 577 HD1 PHE 577 74.978 7.531 5.584 1045 HD2 PHE 577 HD2 PHE 577 77.721 10.461 7.197 1046 HE1 PHE 577 HE1 PHE 577 76.888 6.340 4.588 1047 HE2 PHE 577 HE2 PHE 577 79.588 9.242 6.195 1048 HZ PHE 577 HZ PHE 577 79.187 7.188 4.890 1049 H CYS 578 HN CYS 578 74.005 12.349 6.768 1050 HA CYS 578 HA CYS 578 76.093 14.389 6.118 1051 HB2 CYS 578 HB2 CYS 578 74.646 14.842 4.102 1052 HB3 CYS 578 HB1 CYS 578 75.381 13.248 4.084 1053 H LEU 579 HN LEU 579 75.609 16.283 7.149 1054 HA LEU 579 HA LEU 579 73.148 16.621 8.601 1055 HB2 LEU 579 HB2 LEU 579 75.615 18.263 8.109 1056 HB3 LEU 579 HB1 LEU 579 74.202 19.066 8.779 1057 HG LEU 579 HG LEU 579 74.138 17.330 10.585 1058 HD11 LEU 579 HD11 LEU 579 76.456 16.295 9.016 1059 HD12 LEU 579 HD12 LEU 579 75.297 15.434 10.024 1060 HD13 LEU 579 HD13 LEU 579 76.651 16.278 10.770 1061 HD21 LEU 579 HD21 LEU 579 76.868 18.526 10.809 1062 HD22 LEU 579 HD22 LEU 579 75.493 18.644 11.905 1063 HD23 LEU 579 HD23 LEU 579 75.565 19.664 10.480 1064 H LYS 580 HN LYS 580 73.226 16.787 5.296 1065 HA LYS 580 HA LYS 580 72.147 19.545 5.115 1066 HB2 LYS 580 HB2 LYS 580 72.632 19.471 2.880 1067 HB3 LYS 580 HB1 LYS 580 73.731 18.226 3.447 1068 HG2 LYS 580 HG2 LYS 580 70.964 17.669 2.295 1069 HG3 LYS 580 HG1 LYS 580 72.467 17.574 1.397 1070 HD2 LYS 580 HD2 LYS 580 73.207 15.679 2.514 1071 HD3 LYS 580 HD1 LYS 580 72.252 16.013 3.955 1072 HE2 LYS 580 HE2 LYS 580 71.395 14.088 2.575 1073 HE3 LYS 580 HE1 LYS 580 70.216 15.371 2.836 1074 HZ1 LYS 580 HZ1 LYS 580 71.932 15.544 0.475 1075 HZ2 LYS 580 HZ2 LYS 580 70.322 16.046 0.684 1076 HZ3 LYS 580 HZ3 LYS 580 70.680 14.401 0.456 1077 H GLN 581 HN GLN 581 70.607 16.246 4.595 1078 HA GLN 581 HA GLN 581 68.116 17.604 5.182 1079 HB2 GLN 581 HB2 GLN 581 68.584 18.254 2.822 1080 HB3 GLN 581 HB1 GLN 581 68.281 16.578 2.372 1081 HG2 GLN 581 HG2 GLN 581 66.200 17.703 2.107 1082 HG3 GLN 581 HG1 GLN 581 66.047 16.828 3.616 1083 HE21 GLN 581 HE21 GLN 581 66.466 18.138 5.649 1084 HE22 GLN 581 HE22 GLN 581 66.103 19.788 5.615 1085 H LEU 582 HN LEU 582 66.454 16.453 5.723 1086 HA LEU 582 HA LEU 582 66.269 13.583 5.087 1087 HB2 LEU 582 HB2 LEU 582 67.364 13.978 7.354 1088 HB3 LEU 582 HB1 LEU 582 65.814 14.606 7.886 1089 HG LEU 582 HG LEU 582 64.770 12.442 7.267 1090 HD11 LEU 582 HD11 LEU 582 66.811 10.602 7.099 1091 HD12 LEU 582 HD12 LEU 582 67.483 11.947 6.174 1092 HD13 LEU 582 HD13 LEU 582 65.936 11.248 5.713 1093 HD21 LEU 582 HD21 LEU 582 66.981 12.659 9.286 1094 HD22 LEU 582 HD22 LEU 582 66.176 11.104 9.072 1095 HD23 LEU 582 HD23 LEU 582 65.244 12.530 9.532 1096 H ASN 583 HN ASN 583 63.950 12.849 5.745 1097 HA ASN 583 HA ASN 583 61.996 15.074 5.937 1098 HB2 ASN 583 HB2 ASN 583 62.343 13.298 3.519 1099 HB3 ASN 583 HB1 ASN 583 60.752 13.931 3.920 1100 HD21 ASN 583 HD21 ASN 583 61.943 14.717 1.538 1101 HD22 ASN 583 HD22 ASN 583 62.405 16.343 1.639 1102 H LYS 584 HN LYS 584 60.195 14.414 7.066 1103 HA LYS 584 HA LYS 584 60.173 11.997 8.504 1104 HB2 LYS 584 HB2 LYS 584 57.743 12.492 8.855 1105 HB3 LYS 584 HB1 LYS 584 58.797 13.867 9.175 1106 HG2 LYS 584 HG2 LYS 584 57.956 15.098 7.418 1107 HG3 LYS 584 HG1 LYS 584 57.877 13.703 6.343 1108 HD2 LYS 584 HD2 LYS 584 55.624 14.462 6.752 1109 HD3 LYS 584 HD1 LYS 584 55.850 12.936 7.597 1110 HE2 LYS 584 HE2 LYS 584 54.791 14.278 9.215 1111 HE3 LYS 584 HE1 LYS 584 56.493 14.428 9.643 1112 HZ1 LYS 584 HZ1 LYS 584 55.611 16.594 9.610 1113 HZ2 LYS 584 HZ2 LYS 584 54.826 16.346 8.123 1114 HZ3 LYS 584 HZ3 LYS 584 56.520 16.448 8.186 1115 H GLY 585 HN GLY 585 59.505 12.582 5.232 1116 HA2 GLY 585 HA2 GLY 585 57.821 10.163 4.905 1117 HA3 GLY 585 HA1 GLY 585 58.194 11.352 3.658 1118 H THR 586 HN THR 586 61.044 11.174 4.792 1119 HA THR 586 HA THR 586 61.859 8.562 3.605 1120 HB THR 586 HB THR 586 63.394 9.541 2.128 1121 HG1 THR 586 HG1 THR 586 63.237 11.650 3.946 1122 HG21 THR 586 HG21 THR 586 60.995 9.994 1.519 1123 HG22 THR 586 HG22 THR 586 62.131 11.158 0.835 1124 HG23 THR 586 HG23 THR 586 61.164 11.591 2.247 1125 H PHE 587 HN PHE 587 61.675 9.750 6.368 1126 HA PHE 587 HA PHE 587 64.542 9.967 7.098 1127 HB2 PHE 587 HB2 PHE 587 63.877 10.683 9.220 1128 HB3 PHE 587 HB1 PHE 587 62.661 11.373 8.169 1129 HD1 PHE 587 HD1 PHE 587 60.628 9.554 7.682 1130 HD2 PHE 587 HD2 PHE 587 63.069 9.769 11.209 1131 HE1 PHE 587 HE1 PHE 587 58.865 8.390 8.969 1132 HE2 PHE 587 HE2 PHE 587 61.302 8.603 12.497 1133 HZ PHE 587 HZ PHE 587 59.200 7.913 11.378 1134 H LYS 588 HN LYS 588 65.585 8.128 7.138 1135 HA LYS 588 HA LYS 588 64.296 5.658 8.175 1136 HB2 LYS 588 HB2 LYS 588 65.964 6.201 5.968 1137 HB3 LYS 588 HB1 LYS 588 67.025 5.445 7.111 1138 HG2 LYS 588 HG2 LYS 588 65.948 3.849 5.503 1139 HG3 LYS 588 HG1 LYS 588 65.717 3.448 7.192 1140 HD2 LYS 588 HD2 LYS 588 63.707 3.280 5.510 1141 HD3 LYS 588 HD1 LYS 588 63.433 3.902 7.117 1142 HE2 LYS 588 HE2 LYS 588 63.139 6.097 6.346 1143 HE3 LYS 588 HE1 LYS 588 64.108 5.819 4.916 1144 HZ1 LYS 588 HZ1 LYS 588 61.663 5.969 4.545 1145 HZ2 LYS 588 HZ2 LYS 588 61.513 4.493 5.373 1146 HZ3 LYS 588 HZ3 LYS 588 62.401 4.573 3.926 1147 H GLU 589 HN GLU 589 65.753 4.322 9.644 1148 HA GLU 589 HA GLU 589 67.722 5.915 11.166 1149 HB2 GLU 589 HB2 GLU 589 65.875 6.684 12.371 1150 HB3 GLU 589 HB1 GLU 589 65.010 5.159 12.236 1151 HG2 GLU 589 HG2 GLU 589 66.428 4.121 13.868 1152 HG3 GLU 589 HG1 GLU 589 67.579 5.460 13.827 1153 H GLN 590 HN GLN 590 68.855 4.716 12.688 1154 HA GLN 590 HA GLN 590 68.519 1.837 12.913 1155 HB2 GLN 590 HB2 GLN 590 69.900 2.444 10.716 1156 HB3 GLN 590 HB1 GLN 590 71.204 2.726 11.859 1157 HG2 GLN 590 HG2 GLN 590 71.550 0.462 11.508 1158 HG3 GLN 590 HG1 GLN 590 70.371 0.345 12.809 1159 HE21 GLN 590 HE21 GLN 590 71.033 -1.092 9.965 1160 HE22 GLN 590 HE22 GLN 590 69.466 -1.427 9.405 1161 H ASN 591 HN ASN 591 69.667 1.121 14.781 1162 HA ASN 591 HA ASN 591 70.456 1.486 16.952 1163 HB2 ASN 591 HB2 ASN 591 72.663 3.166 16.613 1164 HB3 ASN 591 HB1 ASN 591 72.688 1.421 16.487 1165 HD21 ASN 591 HD21 ASN 591 71.625 0.824 14.110 1166 HD22 ASN 591 HD22 ASN 591 72.409 1.615 12.834 1167 H ASP 592 HN ASP 592 68.500 3.491 15.798 1168 HA ASP 592 HA ASP 592 67.318 5.252 16.830 1169 HB2 ASP 592 HB2 ASP 592 69.681 5.919 18.568 1170 HB3 ASP 592 HB1 ASP 592 67.965 6.150 18.889 1171 H LYS 593 HN LYS 593 70.248 5.423 15.224 1172 HA LYS 593 HA LYS 593 70.475 8.338 15.222 1173 HB2 LYS 593 HB2 LYS 593 71.887 6.257 13.569 1174 HB3 LYS 593 HB1 LYS 593 72.346 7.944 13.739 1175 HG2 LYS 593 HG2 LYS 593 72.308 7.277 16.352 1176 HG3 LYS 593 HG1 LYS 593 72.656 5.686 15.677 1177 HD2 LYS 593 HD2 LYS 593 74.561 6.672 14.405 1178 HD3 LYS 593 HD1 LYS 593 74.236 8.226 15.172 1179 HE2 LYS 593 HE2 LYS 593 74.424 6.792 17.409 1180 HE3 LYS 593 HE1 LYS 593 75.363 5.713 16.372 1181 HZ1 LYS 593 HZ1 LYS 593 76.292 7.946 17.620 1182 HZ2 LYS 593 HZ2 LYS 593 76.061 8.465 16.018 1183 HZ3 LYS 593 HZ3 LYS 593 77.057 7.128 16.346 1184 HA PRO 594 HA PRO 594 67.368 8.451 11.835 1185 HB2 PRO 594 HB2 PRO 594 68.598 11.129 11.403 1186 HB3 PRO 594 HB1 PRO 594 66.898 10.699 11.601 1187 HG2 PRO 594 HG2 PRO 594 68.356 11.933 13.547 1188 HG3 PRO 594 HG1 PRO 594 67.007 10.844 13.906 1189 HD2 PRO 594 HD2 PRO 594 69.924 10.384 14.264 1190 HD3 PRO 594 HD1 PRO 594 68.549 9.574 15.057 1191 H TYR 595 HN TYR 595 67.549 8.705 9.428 1192 HA TYR 595 HA TYR 595 70.151 9.021 8.180 1193 HB2 TYR 595 HB2 TYR 595 69.052 6.258 8.658 1194 HB3 TYR 595 HB1 TYR 595 70.088 6.573 7.278 1195 HD1 TYR 595 HD1 TYR 595 72.266 8.161 8.097 1196 HD2 TYR 595 HD2 TYR 595 70.158 5.210 10.411 1197 HE1 TYR 595 HE1 TYR 595 74.284 7.792 9.489 1198 HE2 TYR 595 HE2 TYR 595 72.180 4.852 11.789 1199 HH TYR 595 HH TYR 595 75.228 6.518 11.053 1200 H CYS 596 HN CYS 596 69.848 9.334 5.927 1201 HA CYS 596 HA CYS 596 67.103 9.373 4.912 1202 HB2 CYS 596 HB2 CYS 596 69.529 9.279 3.105 1203 HB3 CYS 596 HB1 CYS 596 67.997 10.098 2.846 1204 H GLN 597 HN GLN 597 66.326 7.767 3.266 1205 HA GLN 597 HA GLN 597 67.097 5.116 3.969 1206 HB2 GLN 597 HB2 GLN 597 64.997 5.162 2.948 1207 HB3 GLN 597 HB1 GLN 597 65.485 6.360 1.784 1208 HG2 GLN 597 HG2 GLN 597 65.323 4.489 0.409 1209 HG3 GLN 597 HG1 GLN 597 67.008 4.383 0.874 1210 HE21 GLN 597 HE21 GLN 597 66.335 3.589 3.659 1211 HE22 GLN 597 HE22 GLN 597 65.833 1.989 3.572 1212 H ASN 598 HN ASN 598 67.830 7.023 1.051 1213 HA ASN 598 HA ASN 598 69.711 5.374 -0.155 1214 HB2 ASN 598 HB2 ASN 598 70.337 8.305 0.029 1215 HB3 ASN 598 HB1 ASN 598 70.366 7.244 -1.373 1216 HD21 ASN 598 HD21 ASN 598 67.927 6.183 -1.562 1217 HD22 ASN 598 HD22 ASN 598 66.721 7.366 -1.654 1218 H CYS 599 HN CYS 599 70.048 7.286 2.761 1219 HA CYS 599 HA CYS 599 72.942 6.861 2.926 1220 HB2 CYS 599 HB2 CYS 599 70.849 8.133 4.677 1221 HB3 CYS 599 HB1 CYS 599 72.403 7.698 5.381 1222 H PHE 600 HN PHE 600 70.213 5.907 5.023 1223 HA PHE 600 HA PHE 600 71.488 3.942 6.550 1224 HB2 PHE 600 HB2 PHE 600 69.374 4.368 7.367 1225 HB3 PHE 600 HB1 PHE 600 68.698 4.596 5.763 1226 HD1 PHE 600 HD1 PHE 600 69.348 2.215 8.461 1227 HD2 PHE 600 HD2 PHE 600 67.965 2.642 4.427 1228 HE1 PHE 600 HE1 PHE 600 68.345 -0.051 8.566 1229 HE2 PHE 600 HE2 PHE 600 66.967 0.376 4.523 1230 HZ PHE 600 HZ PHE 600 67.157 -0.972 6.595 1231 H LEU 601 HN LEU 601 69.580 3.388 3.583 1232 HA LEU 601 HA LEU 601 69.989 0.637 3.412 1233 HB2 LEU 601 HB2 LEU 601 68.773 0.890 1.508 1234 HB3 LEU 601 HB1 LEU 601 68.785 2.610 1.863 1235 HG LEU 601 HG LEU 601 70.919 2.781 0.508 1236 HD11 LEU 601 HD11 LEU 601 70.616 0.489 -1.161 1237 HD12 LEU 601 HD12 LEU 601 70.634 -0.115 0.493 1238 HD13 LEU 601 HD13 LEU 601 71.966 0.869 -0.098 1239 HD21 LEU 601 HD21 LEU 601 69.733 2.768 -1.622 1240 HD22 LEU 601 HD22 LEU 601 68.642 3.332 -0.361 1241 HD23 LEU 601 HD23 LEU 601 68.506 1.685 -0.966 1242 H LYS 602 HN LYS 602 72.106 3.225 2.228 1243 HA LYS 602 HA LYS 602 73.961 1.516 0.924 1244 HB2 LYS 602 HB2 LYS 602 73.792 4.220 1.207 1245 HB3 LYS 602 HB1 LYS 602 75.120 3.907 2.297 1246 HG2 LYS 602 HG2 LYS 602 74.956 3.163 -0.625 1247 HG3 LYS 602 HG1 LYS 602 75.991 4.383 0.087 1248 HD2 LYS 602 HD2 LYS 602 77.016 2.500 1.460 1249 HD3 LYS 602 HD1 LYS 602 76.159 1.382 0.411 1250 HE2 LYS 602 HE2 LYS 602 77.288 2.260 -1.542 1251 HE3 LYS 602 HE1 LYS 602 78.041 3.531 -0.578 1252 HZ1 LYS 602 HZ1 LYS 602 78.676 0.686 -0.727 1253 HZ2 LYS 602 HZ2 LYS 602 78.847 1.439 0.786 1254 HZ3 LYS 602 HZ3 LYS 602 79.710 2.019 -0.558 1255 H LEU 603 HN LEU 603 73.483 2.100 4.342 1256 HA LEU 603 HA LEU 603 76.160 1.043 5.011 1257 HB2 LEU 603 HB2 LEU 603 74.234 1.487 7.221 1258 HB3 LEU 603 HB1 LEU 603 75.913 1.994 7.072 1259 HG LEU 603 HG LEU 603 73.544 3.271 5.690 1260 HD11 LEU 603 HD11 LEU 603 73.750 5.047 7.231 1261 HD12 LEU 603 HD12 LEU 603 75.329 4.490 7.786 1262 HD13 LEU 603 HD13 LEU 603 73.874 3.592 8.215 1263 HD21 LEU 603 HD21 LEU 603 76.390 4.302 5.825 1264 HD22 LEU 603 HD22 LEU 603 75.069 4.914 4.834 1265 HD23 LEU 603 HD23 LEU 603 75.803 3.366 4.459 1266 H PHE 604 HN PHE 604 72.813 0.111 5.917 1267 HA PHE 604 HA PHE 604 73.861 -2.613 6.563 1268 HB2 PHE 604 HB2 PHE 604 71.046 -1.832 7.216 1269 HB3 PHE 604 HB1 PHE 604 72.205 -2.766 8.164 1270 HD1 PHE 604 HD1 PHE 604 73.878 -1.637 9.579 1271 HD2 PHE 604 HD2 PHE 604 71.076 0.600 7.223 1272 HE1 PHE 604 HE1 PHE 604 74.446 0.409 10.853 1273 HE2 PHE 604 HE2 PHE 604 71.642 2.651 8.500 1274 HZ PHE 604 HZ PHE 604 73.325 2.554 10.313 1275 H CYS 605 HN CYS 605 72.611 -1.199 3.877 1276 HA CYS 605 HA CYS 605 71.551 -3.800 2.935 1277 HB2 CYS 605 HB2 CYS 605 69.864 -1.391 2.306 1278 HB3 CYS 605 HB1 CYS 605 69.403 -3.090 2.385 1279 HG CYS 605 HG CYS 605 70.145 -1.664 5.050 Start of MODEL 12 1 H MET 1 HT1 MET 1 92.376 -32.759 11.426 2 HA MET 1 HA MET 1 90.652 -31.419 11.800 3 HB2 MET 1 HB2 MET 1 92.112 -30.523 13.781 4 HB3 MET 1 HB1 MET 1 92.410 -29.143 12.725 5 HG2 MET 1 HG2 MET 1 89.905 -28.920 12.460 6 HG3 MET 1 HG1 MET 1 89.728 -30.147 13.715 7 HE1 MET 1 HE1 MET 1 89.508 -29.665 16.059 8 HE2 MET 1 HE2 MET 1 90.617 -28.621 16.944 9 HE3 MET 1 HE3 MET 1 91.253 -29.947 15.974 10 H ALA 2 HN ALA 2 91.323 -28.322 11.460 11 HA ALA 2 HA ALA 2 92.161 -28.191 8.665 12 HB1 ALA 2 HB1 ALA 2 89.937 -28.890 8.168 13 HB2 ALA 2 HB2 ALA 2 89.921 -27.136 7.979 14 HB3 ALA 2 HB3 ALA 2 89.256 -27.873 9.436 15 H LEU 3 HN LEU 3 90.445 -26.580 11.316 16 HA LEU 3 HA LEU 3 90.942 -23.890 10.605 17 HB2 LEU 3 HB2 LEU 3 90.831 -25.199 13.314 18 HB3 LEU 3 HB1 LEU 3 90.709 -23.467 13.015 19 HG LEU 3 HG LEU 3 88.756 -24.052 11.420 20 HD11 LEU 3 HD11 LEU 3 88.694 -26.341 11.110 21 HD12 LEU 3 HD12 LEU 3 87.569 -26.208 12.455 22 HD13 LEU 3 HD13 LEU 3 89.234 -26.701 12.748 23 HD21 LEU 3 HD21 LEU 3 88.494 -24.502 14.392 24 HD22 LEU 3 HD22 LEU 3 87.175 -24.071 13.304 25 HD23 LEU 3 HD23 LEU 3 88.501 -22.941 13.576 26 H ASP 4 HN ASP 4 92.586 -25.734 13.119 27 HA ASP 4 HA ASP 4 94.883 -23.990 13.066 28 HB2 ASP 4 HB2 ASP 4 94.196 -25.138 15.130 29 HB3 ASP 4 HB1 ASP 4 94.474 -26.698 14.351 30 H GLY 5 HN GLY 5 94.010 -25.697 10.666 31 HA2 GLY 5 HA2 GLY 5 95.980 -27.687 10.129 32 HA3 GLY 5 HA1 GLY 5 95.102 -26.774 8.896 33 H ILE 6 HN ILE 6 96.116 -24.343 10.398 34 HA ILE 6 HA ILE 6 98.723 -24.150 8.958 35 HB ILE 6 HB ILE 6 97.933 -21.551 9.646 36 HG12 ILE 6 HG12 ILE 6 95.718 -22.610 10.362 37 HG13 ILE 6 HG11 ILE 6 95.619 -21.291 9.201 38 HG21 ILE 6 HG21 ILE 6 97.504 -23.158 7.138 39 HG22 ILE 6 HG22 ILE 6 98.830 -22.051 7.506 40 HG23 ILE 6 HG23 ILE 6 97.206 -21.421 7.234 41 HD11 ILE 6 HD11 ILE 6 94.741 -22.631 7.595 42 HD12 ILE 6 HD12 ILE 6 94.426 -23.764 8.905 43 HD13 ILE 6 HD13 ILE 6 95.873 -23.944 7.920 44 H ARG 7 HN ARG 7 97.880 -21.796 11.398 45 HA ARG 7 HA ARG 7 99.465 -23.147 13.469 46 HB2 ARG 7 HB2 ARG 7 100.973 -21.100 13.640 47 HB3 ARG 7 HB1 ARG 7 101.265 -22.180 12.284 48 HG2 ARG 7 HG2 ARG 7 99.320 -19.996 11.720 49 HG3 ARG 7 HG1 ARG 7 100.968 -19.464 12.032 50 HD2 ARG 7 HD2 ARG 7 101.833 -20.826 10.251 51 HD3 ARG 7 HD1 ARG 7 100.283 -21.635 10.045 52 HE ARG 7 HE ARG 7 99.825 -18.873 9.660 53 HH11 ARG 7 HH11 ARG 7 99.753 -18.032 7.563 54 HH12 ARG 7 HH12 ARG 7 100.508 -18.902 6.270 55 HH21 ARG 7 HH21 ARG 7 101.604 -21.492 8.300 56 HH22 ARG 7 HH22 ARG 7 101.557 -20.863 6.687 57 H MET 8 HN MET 8 99.342 -19.671 13.467 58 HA MET 8 HA MET 8 96.820 -19.661 15.015 59 HB2 MET 8 HB2 MET 8 98.630 -18.132 16.618 60 HB3 MET 8 HB1 MET 8 97.811 -19.621 17.041 61 HG2 MET 8 HG2 MET 8 99.595 -20.975 16.178 62 HG3 MET 8 HG1 MET 8 100.414 -19.599 15.471 63 HE1 MET 8 HE1 MET 8 102.352 -20.913 16.682 64 HE2 MET 8 HE2 MET 8 103.038 -20.047 18.055 65 HE3 MET 8 HE3 MET 8 102.651 -19.172 16.576 66 HA PRO 9 HA PRO 9 98.115 -14.932 14.182 67 HB2 PRO 9 HB2 PRO 9 99.950 -15.724 11.923 68 HB3 PRO 9 HB1 PRO 9 99.956 -14.236 12.897 69 HG2 PRO 9 HG2 PRO 9 101.686 -16.148 13.413 70 HG3 PRO 9 HG1 PRO 9 100.857 -15.304 14.735 71 HD2 PRO 9 HD2 PRO 9 100.403 -18.074 13.723 72 HD3 PRO 9 HD1 PRO 9 100.217 -17.416 15.343 73 H ASP 10 HN ASP 10 98.090 -17.540 11.894 74 HA ASP 10 HA ASP 10 95.903 -16.219 10.307 75 HB2 ASP 10 HB2 ASP 10 98.161 -16.746 9.157 76 HB3 ASP 10 HB1 ASP 10 97.688 -18.438 9.294 77 H GLY 11 HN GLY 11 96.989 -19.016 12.040 78 HA2 GLY 11 HA2 GLY 11 94.723 -20.684 11.231 79 HA3 GLY 11 HA1 GLY 11 95.925 -21.086 12.452 80 H CYS 12 HN CYS 12 94.836 -17.998 13.026 81 HA CYS 12 HA CYS 12 92.341 -18.532 14.359 82 HB2 CYS 12 HB2 CYS 12 93.622 -19.782 15.944 83 HB3 CYS 12 HB1 CYS 12 94.879 -18.546 15.992 84 HG CYS 12 HG CYS 12 93.409 -18.093 18.071 85 H TYR 13 HN TYR 13 95.284 -16.554 14.841 86 HA TYR 13 HA TYR 13 95.556 -14.226 14.681 87 HB2 TYR 13 HB2 TYR 13 93.485 -14.563 12.969 88 HB3 TYR 13 HB1 TYR 13 92.613 -13.728 14.255 89 HD1 TYR 13 HD1 TYR 13 93.966 -11.626 15.268 90 HD2 TYR 13 HD2 TYR 13 94.471 -13.232 11.314 91 HE1 TYR 13 HE1 TYR 13 94.887 -9.455 14.501 92 HE2 TYR 13 HE2 TYR 13 95.392 -11.061 10.551 93 HH TYR 13 HH TYR 13 96.639 -9.039 11.842 94 H ALA 14 HN ALA 14 92.590 -15.406 16.161 95 HA ALA 14 HA ALA 14 92.967 -15.177 18.805 96 HB1 ALA 14 HB1 ALA 14 92.033 -12.726 19.237 97 HB2 ALA 14 HB2 ALA 14 92.740 -12.409 17.652 98 HB3 ALA 14 HB3 ALA 14 93.758 -12.978 18.974 99 H ASP 15 HN ASP 15 90.989 -14.299 16.133 100 HA ASP 15 HA ASP 15 88.766 -15.828 17.037 101 HB2 ASP 15 HB2 ASP 15 88.436 -13.946 18.589 102 HB3 ASP 15 HB1 ASP 15 88.435 -12.821 17.237 103 H GLY 16 HN GLY 16 90.254 -13.549 14.890 104 HA2 GLY 16 HA2 GLY 16 90.071 -14.020 12.459 105 HA3 GLY 16 HA1 GLY 16 88.356 -14.332 12.706 106 H THR 17 HN THR 17 89.569 -11.731 14.553 107 HA THR 17 HA THR 17 88.126 -9.831 12.760 108 HB THR 17 HB THR 17 87.340 -9.526 14.970 109 HG1 THR 17 HG1 THR 17 89.503 -7.747 14.687 110 HG21 THR 17 HG21 THR 17 90.216 -9.590 15.897 111 HG22 THR 17 HG22 THR 17 89.074 -10.919 16.073 112 HG23 THR 17 HG23 THR 17 88.797 -9.404 16.924 113 H TRP 18 HN TRP 18 89.227 -8.488 11.551 114 HA TRP 18 HA TRP 18 92.021 -7.735 12.294 115 HB2 TRP 18 HB2 TRP 18 92.308 -7.587 9.705 116 HB3 TRP 18 HB1 TRP 18 92.462 -9.146 10.486 117 HD1 TRP 18 HD1 TRP 18 89.903 -10.546 10.536 118 HE1 TRP 18 HE1 TRP 18 88.330 -10.817 8.477 119 HE3 TRP 18 HE3 TRP 18 91.502 -6.694 7.637 120 HZ2 TRP 18 HZ2 TRP 18 87.870 -9.604 5.986 121 HZ3 TRP 18 HZ3 TRP 18 90.493 -6.302 5.436 122 HH2 TRP 18 HH2 TRP 18 88.664 -7.722 4.598 123 H GLU 19 HN GLU 19 92.175 -5.572 12.521 124 HA GLU 19 HA GLU 19 89.945 -3.877 11.734 125 HB2 GLU 19 HB2 GLU 19 91.996 -2.115 12.457 126 HB3 GLU 19 HB1 GLU 19 90.764 -2.746 13.539 127 HG2 GLU 19 HG2 GLU 19 93.067 -3.088 14.396 128 HG3 GLU 19 HG1 GLU 19 92.186 -4.595 14.158 129 H LEU 20 HN LEU 20 89.805 -2.496 10.015 130 HA LEU 20 HA LEU 20 91.785 -2.878 7.888 131 HB2 LEU 20 HB2 LEU 20 89.051 -2.453 7.880 132 HB3 LEU 20 HB1 LEU 20 89.640 -0.849 7.485 133 HG LEU 20 HG LEU 20 89.371 -1.852 5.384 134 HD11 LEU 20 HD11 LEU 20 92.222 -2.740 5.778 135 HD12 LEU 20 HD12 LEU 20 91.807 -1.026 5.861 136 HD13 LEU 20 HD13 LEU 20 91.469 -1.960 4.403 137 HD21 LEU 20 HD21 LEU 20 90.544 -4.348 6.610 138 HD22 LEU 20 HD22 LEU 20 90.183 -4.149 4.898 139 HD23 LEU 20 HD23 LEU 20 88.877 -4.098 6.079 140 H SER 21 HN SER 21 93.431 -1.415 7.492 141 HA SER 21 HA SER 21 93.665 0.894 9.279 142 HB2 SER 21 HB2 SER 21 95.511 -0.667 8.016 143 HB3 SER 21 HB1 SER 21 95.439 0.696 6.900 144 HG SER 21 HG SER 21 95.553 1.933 9.044 145 H VAL 22 HN VAL 22 93.414 3.028 8.706 146 HA VAL 22 HA VAL 22 92.533 3.602 5.928 147 HB VAL 22 HB VAL 22 91.014 4.245 8.459 148 HG11 VAL 22 HG11 VAL 22 90.948 5.669 5.786 149 HG12 VAL 22 HG12 VAL 22 91.125 6.383 7.390 150 HG13 VAL 22 HG13 VAL 22 89.585 5.690 6.900 151 HG21 VAL 22 HG21 VAL 22 90.419 2.198 7.240 152 HG22 VAL 22 HG22 VAL 22 90.254 3.131 5.742 153 HG23 VAL 22 HG23 VAL 22 89.134 3.402 7.081 154 H HIS 23 HN HIS 23 92.845 5.756 5.286 155 HA HIS 23 HA HIS 23 94.655 7.386 7.031 156 HB2 HIS 23 HB2 HIS 23 94.763 6.693 4.091 157 HB3 HIS 23 HB1 HIS 23 95.481 8.190 4.674 158 HD1 HIS 23 HD1 HIS 23 95.602 4.486 5.611 159 HD2 HIS 23 HD2 HIS 23 98.084 7.834 5.508 160 HE1 HIS 23 HE1 HIS 23 97.900 3.696 6.322 161 H VAL 24 HN VAL 24 93.117 8.894 7.744 162 HA VAL 24 HA VAL 24 91.016 9.816 5.978 163 HB VAL 24 HB VAL 24 91.928 11.499 8.306 164 HG11 VAL 24 HG11 VAL 24 89.876 11.993 6.917 165 HG12 VAL 24 HG12 VAL 24 89.537 11.754 8.633 166 HG13 VAL 24 HG13 VAL 24 89.200 10.466 7.480 167 HG21 VAL 24 HG21 VAL 24 92.219 9.314 9.255 168 HG22 VAL 24 HG22 VAL 24 90.752 8.713 8.482 169 HG23 VAL 24 HG23 VAL 24 90.641 9.882 9.798 170 H THR 25 HN THR 25 91.750 10.737 4.107 171 HA THR 25 HA THR 25 94.132 12.394 4.036 172 HB THR 25 HB THR 25 93.454 12.782 1.668 173 HG1 THR 25 HG1 THR 25 91.225 12.759 1.977 174 HG21 THR 25 HG21 THR 25 93.450 9.980 2.786 175 HG22 THR 25 HG22 THR 25 94.773 10.840 1.998 176 HG23 THR 25 HG23 THR 25 93.393 10.283 1.049 177 H ASP 26 HN ASP 26 90.649 12.998 4.145 178 HA ASP 26 HA ASP 26 90.940 15.874 3.750 179 HB2 ASP 26 HB2 ASP 26 88.833 14.560 3.250 180 HB3 ASP 26 HB1 ASP 26 88.607 14.384 4.991 181 H LEU 27 HN LEU 27 92.349 14.275 5.970 182 HA LEU 27 HA LEU 27 91.995 16.314 8.055 183 HB2 LEU 27 HB2 LEU 27 90.857 13.620 8.228 184 HB3 LEU 27 HB1 LEU 27 91.919 13.950 9.582 185 HG LEU 27 HG LEU 27 89.788 15.923 8.737 186 HD11 LEU 27 HD11 LEU 27 89.541 13.563 10.623 187 HD12 LEU 27 HD12 LEU 27 88.612 13.843 9.151 188 HD13 LEU 27 HD13 LEU 27 88.383 14.893 10.550 189 HD21 LEU 27 HD21 LEU 27 90.111 16.841 10.904 190 HD22 LEU 27 HD22 LEU 27 91.742 16.463 10.353 191 HD23 LEU 27 HD23 LEU 27 90.927 15.393 11.490 192 H ASN 28 HN ASN 28 93.655 13.546 6.719 193 HA ASN 28 HA ASN 28 95.972 13.148 6.620 194 HB2 ASN 28 HB2 ASN 28 96.173 15.686 7.193 195 HB3 ASN 28 HB1 ASN 28 96.495 15.136 8.832 196 HD21 ASN 28 HD21 ASN 28 97.702 12.603 7.636 197 HD22 ASN 28 HD22 ASN 28 99.263 13.066 7.171 198 H ARG 29 HN ARG 29 93.849 12.311 8.844 199 HA ARG 29 HA ARG 29 95.753 11.349 10.888 200 HB2 ARG 29 HB2 ARG 29 92.750 11.114 10.661 201 HB3 ARG 29 HB1 ARG 29 93.712 10.546 12.026 202 HG2 ARG 29 HG2 ARG 29 94.483 12.812 12.474 203 HG3 ARG 29 HG1 ARG 29 93.630 13.410 11.059 204 HD2 ARG 29 HD2 ARG 29 92.130 13.884 12.811 205 HD3 ARG 29 HD1 ARG 29 91.520 12.359 12.162 206 HE ARG 29 HE ARG 29 92.086 11.347 14.210 207 HH11 ARG 29 HH11 ARG 29 93.036 11.313 16.259 208 HH12 ARG 29 HH12 ARG 29 94.089 12.604 16.733 209 HH21 ARG 29 HH21 ARG 29 93.777 14.313 13.732 210 HH22 ARG 29 HH22 ARG 29 94.509 14.303 15.301 211 H ASP 30 HN ASP 30 94.973 9.043 11.632 212 HA ASP 30 HA ASP 30 94.538 7.248 9.325 213 HB2 ASP 30 HB2 ASP 30 96.855 7.134 11.263 214 HB3 ASP 30 HB1 ASP 30 96.302 5.703 10.389 215 H VAL 31 HN VAL 31 92.860 5.986 9.852 216 HA VAL 31 HA VAL 31 92.377 5.392 12.762 217 HB VAL 31 HB VAL 31 90.279 5.508 10.587 218 HG11 VAL 31 HG11 VAL 31 89.725 4.258 12.638 219 HG12 VAL 31 HG12 VAL 31 88.783 5.747 12.546 220 HG13 VAL 31 HG13 VAL 31 90.181 5.651 13.617 221 HG21 VAL 31 HG21 VAL 31 89.748 7.781 11.459 222 HG22 VAL 31 HG22 VAL 31 91.369 7.728 10.770 223 HG23 VAL 31 HG23 VAL 31 91.155 7.699 12.519 224 H THR 32 HN THR 32 91.489 3.366 13.257 225 HA THR 32 HA THR 32 91.660 1.270 11.135 226 HB THR 32 HB THR 32 92.370 0.093 13.658 227 HG1 THR 32 HG1 THR 32 93.709 1.439 14.540 228 HG21 THR 32 HG21 THR 32 94.348 0.794 11.493 229 HG22 THR 32 HG22 THR 32 93.137 -0.467 11.257 230 HG23 THR 32 HG23 THR 32 94.327 -0.620 12.547 231 H LEU 33 HN LEU 33 89.825 0.075 11.100 232 HA LEU 33 HA LEU 33 87.918 0.268 13.401 233 HB2 LEU 33 HB2 LEU 33 87.621 0.314 10.426 234 HB3 LEU 33 HB1 LEU 33 86.322 -0.404 11.355 235 HG LEU 33 HG LEU 33 86.106 2.094 10.816 236 HD11 LEU 33 HD11 LEU 33 84.958 0.769 12.737 237 HD12 LEU 33 HD12 LEU 33 84.941 2.529 12.794 238 HD13 LEU 33 HD13 LEU 33 86.081 1.628 13.790 239 HD21 LEU 33 HD21 LEU 33 87.401 3.676 12.022 240 HD22 LEU 33 HD22 LEU 33 88.578 2.509 11.427 241 HD23 LEU 33 HD23 LEU 33 88.044 2.464 13.102 242 H ARG 34 HN ARG 34 87.880 -1.554 14.508 243 HA ARG 34 HA ARG 34 88.873 -4.086 13.723 244 HB2 ARG 34 HB2 ARG 34 88.381 -3.294 16.088 245 HB3 ARG 34 HB1 ARG 34 86.680 -3.576 15.742 246 HG2 ARG 34 HG2 ARG 34 87.379 -5.588 16.768 247 HG3 ARG 34 HG1 ARG 34 87.384 -5.955 15.047 248 HD2 ARG 34 HD2 ARG 34 89.725 -5.915 14.913 249 HD3 ARG 34 HD1 ARG 34 89.888 -4.959 16.369 250 HE ARG 34 HE ARG 34 88.710 -7.527 16.947 251 HH11 ARG 34 HH11 ARG 34 90.019 -8.943 18.141 252 HH12 ARG 34 HH12 ARG 34 91.725 -8.660 18.221 253 HH21 ARG 34 HH21 ARG 34 91.613 -5.802 16.263 254 HH22 ARG 34 HH22 ARG 34 92.627 -6.882 17.159 255 H VAL 35 HN VAL 35 88.063 -5.196 12.030 256 HA VAL 35 HA VAL 35 85.112 -5.619 11.887 257 HB VAL 35 HB VAL 35 85.291 -5.379 9.391 258 HG11 VAL 35 HG11 VAL 35 85.958 -2.954 11.091 259 HG12 VAL 35 HG12 VAL 35 84.341 -3.584 10.770 260 HG13 VAL 35 HG13 VAL 35 85.292 -2.887 9.458 261 HG21 VAL 35 HG21 VAL 35 87.229 -4.053 8.551 262 HG22 VAL 35 HG22 VAL 35 87.706 -5.638 9.160 263 HG23 VAL 35 HG23 VAL 35 87.982 -4.199 10.137 264 H THR 36 HN THR 36 84.919 -7.153 9.742 265 HA THR 36 HA THR 36 86.940 -9.316 9.850 266 HB THR 36 HB THR 36 84.938 -10.940 9.975 267 HG1 THR 36 HG1 THR 36 83.727 -8.661 11.136 268 HG21 THR 36 HG21 THR 36 84.698 -10.542 12.532 269 HG22 THR 36 HG22 THR 36 85.902 -9.282 12.291 270 HG23 THR 36 HG23 THR 36 86.282 -10.955 11.889 271 H GLY 37 HN GLY 37 86.122 -10.992 8.062 272 HA2 GLY 37 HA2 GLY 37 85.638 -9.410 5.651 273 HA3 GLY 37 HA1 GLY 37 85.980 -11.141 5.717 274 H GLU 38 HN GLU 38 83.520 -9.236 7.375 275 HA GLU 38 HA GLU 38 81.397 -10.454 5.704 276 HB2 GLU 38 HB2 GLU 38 80.103 -11.052 7.789 277 HB3 GLU 38 HB1 GLU 38 81.517 -12.061 7.488 278 HG2 GLU 38 HG2 GLU 38 82.760 -11.069 9.199 279 HG3 GLU 38 HG1 GLU 38 81.775 -9.605 9.210 280 H VAL 39 HN VAL 39 82.733 -7.763 7.080 281 HA VAL 39 HA VAL 39 80.187 -6.473 7.776 282 HB VAL 39 HB VAL 39 81.416 -4.726 8.683 283 HG11 VAL 39 HG11 VAL 39 83.094 -5.749 10.034 284 HG12 VAL 39 HG12 VAL 39 83.408 -6.982 8.810 285 HG13 VAL 39 HG13 VAL 39 81.886 -6.988 9.698 286 HG21 VAL 39 HG21 VAL 39 82.709 -4.031 6.733 287 HG22 VAL 39 HG22 VAL 39 83.686 -5.499 6.814 288 HG23 VAL 39 HG23 VAL 39 83.816 -4.275 8.074 289 H HIS 40 HN HIS 40 79.085 -5.122 6.424 290 HA HIS 40 HA HIS 40 79.900 -5.028 3.630 291 HB2 HIS 40 HB2 HIS 40 77.778 -3.231 4.798 292 HB3 HIS 40 HB1 HIS 40 77.830 -4.011 3.216 293 HD1 HIS 40 HD1 HIS 40 77.923 -6.835 3.519 294 HD2 HIS 40 HD2 HIS 40 76.048 -4.564 6.470 295 HE1 HIS 40 HE1 HIS 40 76.402 -8.418 4.783 296 H ILE 41 HN ILE 41 80.676 -3.154 2.501 297 HA ILE 41 HA ILE 41 82.555 -1.515 3.770 298 HB ILE 41 HB ILE 41 80.803 -0.764 1.414 299 HG12 ILE 41 HG12 ILE 41 83.589 -1.961 1.370 300 HG13 ILE 41 HG11 ILE 41 82.121 -2.941 1.267 301 HG21 ILE 41 HG21 ILE 41 82.895 0.595 0.826 302 HG22 ILE 41 HG22 ILE 41 83.393 0.343 2.502 303 HG23 ILE 41 HG23 ILE 41 81.900 1.211 2.148 304 HD11 ILE 41 HD11 ILE 41 81.519 -2.078 -0.801 305 HD12 ILE 41 HD12 ILE 41 83.278 -2.075 -0.941 306 HD13 ILE 41 HD13 ILE 41 82.418 -0.582 -0.566 307 H GLY 42 HN GLY 42 79.187 -0.695 2.997 308 HA2 GLY 42 HA2 GLY 42 79.124 1.852 4.225 309 HA3 GLY 42 HA1 GLY 42 77.713 0.826 4.003 310 H GLY 43 HN GLY 43 79.562 -1.188 5.555 311 HA2 GLY 43 HA2 GLY 43 78.294 -0.724 8.137 312 HA3 GLY 43 HA1 GLY 43 79.451 -2.007 7.759 313 H VAL 44 HN VAL 44 81.317 -0.021 6.606 314 HA VAL 44 HA VAL 44 82.684 0.721 9.107 315 HB VAL 44 HB VAL 44 83.380 0.522 6.191 316 HG11 VAL 44 HG11 VAL 44 84.141 2.772 6.526 317 HG12 VAL 44 HG12 VAL 44 85.568 1.754 6.721 318 HG13 VAL 44 HG13 VAL 44 84.742 2.398 8.141 319 HG21 VAL 44 HG21 VAL 44 85.236 -0.729 7.019 320 HG22 VAL 44 HG22 VAL 44 83.858 -1.207 8.011 321 HG23 VAL 44 HG23 VAL 44 85.051 -0.068 8.645 322 H MET 45 HN MET 45 81.238 2.315 6.263 323 HA MET 45 HA MET 45 81.801 5.003 6.753 324 HB2 MET 45 HB2 MET 45 79.248 3.644 5.857 325 HB3 MET 45 HB1 MET 45 79.367 5.395 5.943 326 HG2 MET 45 HG2 MET 45 81.555 5.003 4.485 327 HG3 MET 45 HG1 MET 45 80.750 3.493 4.074 328 HE1 MET 45 HE1 MET 45 77.895 3.834 4.021 329 HE2 MET 45 HE2 MET 45 78.619 3.309 2.500 330 HE3 MET 45 HE3 MET 45 77.408 4.589 2.502 331 H LEU 46 HN LEU 46 79.543 2.878 8.390 332 HA LEU 46 HA LEU 46 78.344 4.907 10.066 333 HB2 LEU 46 HB2 LEU 46 77.455 2.547 9.470 334 HB3 LEU 46 HB1 LEU 46 78.544 1.963 10.724 335 HG LEU 46 HG LEU 46 77.337 3.975 12.115 336 HD11 LEU 46 HD11 LEU 46 75.836 4.620 10.296 337 HD12 LEU 46 HD12 LEU 46 74.903 3.903 11.608 338 HD13 LEU 46 HD13 LEU 46 75.247 2.957 10.159 339 HD21 LEU 46 HD21 LEU 46 77.495 1.619 12.828 340 HD22 LEU 46 HD22 LEU 46 76.190 1.191 11.722 341 HD23 LEU 46 HD23 LEU 46 75.870 2.250 13.096 342 H LYS 47 HN LYS 47 80.444 2.179 11.020 343 HA LYS 47 HA LYS 47 81.073 3.088 13.589 344 HB2 LYS 47 HB2 LYS 47 83.012 1.618 11.797 345 HB3 LYS 47 HB1 LYS 47 82.944 1.582 13.559 346 HG2 LYS 47 HG2 LYS 47 80.790 0.458 13.505 347 HG3 LYS 47 HG1 LYS 47 80.721 0.606 11.752 348 HD2 LYS 47 HD2 LYS 47 82.947 -0.708 11.732 349 HD3 LYS 47 HD1 LYS 47 82.572 -1.109 13.407 350 HE2 LYS 47 HE2 LYS 47 80.697 -1.627 11.081 351 HE3 LYS 47 HE1 LYS 47 81.787 -2.835 11.761 352 HZ1 LYS 47 HZ1 LYS 47 79.759 -1.364 13.350 353 HZ2 LYS 47 HZ2 LYS 47 80.694 -2.692 13.850 354 HZ3 LYS 47 HZ3 LYS 47 79.491 -2.893 12.668 355 H LEU 48 HN LEU 48 83.151 3.562 10.683 356 HA LEU 48 HA LEU 48 85.167 5.048 11.844 357 HB2 LEU 48 HB2 LEU 48 84.222 4.632 9.178 358 HB3 LEU 48 HB1 LEU 48 84.450 6.370 9.337 359 HG LEU 48 HG LEU 48 86.547 4.330 10.109 360 HD11 LEU 48 HD11 LEU 48 86.176 4.167 7.724 361 HD12 LEU 48 HD12 LEU 48 87.705 4.986 8.045 362 HD13 LEU 48 HD13 LEU 48 86.282 5.920 7.566 363 HD21 LEU 48 HD21 LEU 48 86.926 7.250 9.458 364 HD22 LEU 48 HD22 LEU 48 88.028 6.167 10.307 365 HD23 LEU 48 HD23 LEU 48 86.551 6.715 11.095 366 H VAL 49 HN VAL 49 82.187 6.534 10.487 367 HA VAL 49 HA VAL 49 82.740 9.153 11.470 368 HB VAL 49 HB VAL 49 80.084 7.803 10.938 369 HG11 VAL 49 HG11 VAL 49 79.311 10.226 10.703 370 HG12 VAL 49 HG12 VAL 49 80.807 10.682 11.517 371 HG13 VAL 49 HG13 VAL 49 79.621 9.676 12.350 372 HG21 VAL 49 HG21 VAL 49 81.803 8.100 9.050 373 HG22 VAL 49 HG22 VAL 49 81.555 9.836 9.249 374 HG23 VAL 49 HG23 VAL 49 80.207 8.800 8.775 375 H GLU 50 HN GLU 50 80.795 6.523 12.943 376 HA GLU 50 HA GLU 50 79.841 7.780 15.220 377 HB2 GLU 50 HB2 GLU 50 80.995 5.007 14.900 378 HB3 GLU 50 HB1 GLU 50 80.287 5.540 16.417 379 HG2 GLU 50 HG2 GLU 50 78.839 5.624 13.758 380 HG3 GLU 50 HG1 GLU 50 78.681 4.314 14.921 381 H LYS 51 HN LYS 51 83.144 6.608 14.688 382 HA LYS 51 HA LYS 51 84.088 7.136 17.331 383 HB2 LYS 51 HB2 LYS 51 85.509 6.992 14.666 384 HB3 LYS 51 HB1 LYS 51 86.339 7.106 16.218 385 HG2 LYS 51 HG2 LYS 51 85.186 5.058 16.983 386 HG3 LYS 51 HG1 LYS 51 84.392 4.925 15.413 387 HD2 LYS 51 HD2 LYS 51 86.374 4.377 14.299 388 HD3 LYS 51 HD1 LYS 51 87.390 5.118 15.532 389 HE2 LYS 51 HE2 LYS 51 86.804 3.326 17.114 390 HE3 LYS 51 HE1 LYS 51 85.760 2.589 15.900 391 HZ1 LYS 51 HZ1 LYS 51 88.447 2.132 16.262 392 HZ2 LYS 51 HZ2 LYS 51 88.357 3.087 14.859 393 HZ3 LYS 51 HZ3 LYS 51 87.499 1.623 14.951 394 H LEU 52 HN LEU 52 84.571 9.095 14.338 395 HA LEU 52 HA LEU 52 85.666 11.298 15.773 396 HB2 LEU 52 HB2 LEU 52 85.119 10.594 13.057 397 HB3 LEU 52 HB1 LEU 52 84.319 12.127 13.333 398 HG LEU 52 HG LEU 52 86.556 12.891 14.387 399 HD11 LEU 52 HD11 LEU 52 87.477 10.465 12.815 400 HD12 LEU 52 HD12 LEU 52 87.527 10.625 14.569 401 HD13 LEU 52 HD13 LEU 52 88.538 11.661 13.561 402 HD21 LEU 52 HD21 LEU 52 86.141 13.963 12.383 403 HD22 LEU 52 HD22 LEU 52 85.968 12.459 11.478 404 HD23 LEU 52 HD23 LEU 52 87.571 13.046 11.920 405 H ASP 53 HN ASP 53 82.500 11.148 14.157 406 HA ASP 53 HA ASP 53 80.428 12.002 14.786 407 HB2 ASP 53 HB2 ASP 53 81.185 10.626 16.843 408 HB3 ASP 53 HB1 ASP 53 81.472 12.181 17.593 409 H VAL 54 HN VAL 54 80.825 13.948 13.715 410 HA VAL 54 HA VAL 54 81.006 16.249 15.522 411 HB VAL 54 HB VAL 54 83.301 15.875 15.260 412 HG11 VAL 54 HG11 VAL 54 84.290 15.564 12.939 413 HG12 VAL 54 HG12 VAL 54 82.635 15.322 12.377 414 HG13 VAL 54 HG13 VAL 54 83.327 14.230 13.583 415 HG21 VAL 54 HG21 VAL 54 83.005 17.802 12.972 416 HG22 VAL 54 HG22 VAL 54 84.037 17.905 14.392 417 HG23 VAL 54 HG23 VAL 54 82.316 18.253 14.530 418 H LYS 55 HN LYS 55 79.022 15.137 13.784 419 HA LYS 55 HA LYS 55 77.566 15.752 12.048 420 HB2 LYS 55 HB2 LYS 55 77.389 17.422 14.080 421 HB3 LYS 55 HB1 LYS 55 78.032 18.580 12.922 422 HG2 LYS 55 HG2 LYS 55 75.634 18.695 12.836 423 HG3 LYS 55 HG1 LYS 55 76.179 17.952 11.350 424 HD2 LYS 55 HD2 LYS 55 75.295 15.873 11.897 425 HD3 LYS 55 HD1 LYS 55 75.502 16.123 13.628 426 HE2 LYS 55 HE2 LYS 55 73.552 17.447 13.784 427 HE3 LYS 55 HE1 LYS 55 73.510 17.740 12.045 428 HZ1 LYS 55 HZ1 LYS 55 73.229 15.027 13.191 429 HZ2 LYS 55 HZ2 LYS 55 72.830 15.556 11.627 430 HZ3 LYS 55 HZ3 LYS 55 71.893 16.044 12.957 431 H LYS 56 HN LYS 56 80.617 16.027 11.470 432 HA LYS 56 HA LYS 56 80.684 18.194 9.498 433 HB2 LYS 56 HB2 LYS 56 82.707 17.383 10.723 434 HB3 LYS 56 HB1 LYS 56 82.618 15.881 9.816 435 HG2 LYS 56 HG2 LYS 56 82.684 17.338 7.706 436 HG3 LYS 56 HG1 LYS 56 83.132 18.671 8.765 437 HD2 LYS 56 HD2 LYS 56 84.623 16.035 8.603 438 HD3 LYS 56 HD1 LYS 56 85.105 17.500 7.751 439 HE2 LYS 56 HE2 LYS 56 85.005 17.044 10.742 440 HE3 LYS 56 HE1 LYS 56 86.405 17.450 9.754 441 HZ1 LYS 56 HZ1 LYS 56 84.119 19.178 10.483 442 HZ2 LYS 56 HZ2 LYS 56 85.150 19.556 9.186 443 HZ3 LYS 56 HZ3 LYS 56 85.771 19.441 10.763 444 H ASP 57 HN ASP 57 80.628 17.947 7.249 445 HA ASP 57 HA ASP 57 78.843 16.037 6.171 446 HB2 ASP 57 HB2 ASP 57 80.077 16.692 3.944 447 HB3 ASP 57 HB1 ASP 57 79.167 17.922 4.817 448 H TRP 58 HN TRP 58 79.165 13.874 6.109 449 HA TRP 58 HA TRP 58 81.923 12.837 5.586 450 HB2 TRP 58 HB2 TRP 58 79.638 11.686 7.198 451 HB3 TRP 58 HB1 TRP 58 81.098 10.803 6.801 452 HD1 TRP 58 HD1 TRP 58 79.719 12.687 9.509 453 HE1 TRP 58 HE1 TRP 58 81.534 13.692 11.050 454 HE3 TRP 58 HE3 TRP 58 83.855 12.131 6.527 455 HZ2 TRP 58 HZ2 TRP 58 84.318 14.203 11.010 456 HZ3 TRP 58 HZ3 TRP 58 86.067 12.895 7.317 457 HH2 TRP 58 HH2 TRP 58 86.309 13.925 9.557 458 H SER 59 HN SER 59 78.501 12.527 4.845 459 HA SER 59 HA SER 59 78.322 10.229 3.322 460 HB2 SER 59 HB2 SER 59 76.352 11.493 3.464 461 HB3 SER 59 HB1 SER 59 77.150 12.962 2.903 462 HG SER 59 HG SER 59 77.131 10.734 1.219 463 H ASP 60 HN ASP 60 79.332 13.386 1.967 464 HA ASP 60 HA ASP 60 80.013 12.492 -0.603 465 HB2 ASP 60 HB2 ASP 60 80.085 14.851 -0.073 466 HB3 ASP 60 HB1 ASP 60 81.332 14.587 1.145 467 H HIS 61 HN HIS 61 81.954 12.465 2.357 468 HA HIS 61 HA HIS 61 84.266 11.242 1.144 469 HB2 HIS 61 HB2 HIS 61 83.416 11.415 4.042 470 HB3 HIS 61 HB1 HIS 61 85.018 10.956 3.471 471 HD1 HIS 61 HD1 HIS 61 82.679 13.842 2.571 472 HD2 HIS 61 HD2 HIS 61 86.638 13.173 3.692 473 HE1 HIS 61 HE1 HIS 61 83.818 16.104 2.563 474 H ALA 62 HN ALA 62 84.719 9.147 0.854 475 HA ALA 62 HA ALA 62 83.132 7.048 2.231 476 HB1 ALA 62 HB1 ALA 62 81.854 7.215 0.239 477 HB2 ALA 62 HB2 ALA 62 82.980 5.898 -0.093 478 HB3 ALA 62 HB3 ALA 62 83.283 7.507 -0.752 479 H LEU 63 HN LEU 63 84.207 4.792 1.320 480 HA LEU 63 HA LEU 63 87.125 5.210 1.767 481 HB2 LEU 63 HB2 LEU 63 85.642 2.580 1.625 482 HB3 LEU 63 HB1 LEU 63 87.253 2.869 2.260 483 HG LEU 63 HG LEU 63 85.801 2.680 4.129 484 HD11 LEU 63 HD11 LEU 63 87.503 4.614 4.003 485 HD12 LEU 63 HD12 LEU 63 86.284 4.677 5.276 486 HD13 LEU 63 HD13 LEU 63 86.093 5.659 3.824 487 HD21 LEU 63 HD21 LEU 63 83.665 3.504 4.306 488 HD22 LEU 63 HD22 LEU 63 83.744 3.496 2.549 489 HD23 LEU 63 HD23 LEU 63 84.038 4.989 3.438 490 H TRP 64 HN TRP 64 88.668 4.765 0.301 491 HA TRP 64 HA TRP 64 87.855 3.584 -2.348 492 HB2 TRP 64 HB2 TRP 64 88.488 5.523 -3.380 493 HB3 TRP 64 HB1 TRP 64 88.638 6.253 -1.807 494 HD1 TRP 64 HD1 TRP 64 91.288 5.241 -0.691 495 HE1 TRP 64 HE1 TRP 64 93.533 5.687 -1.864 496 HE3 TRP 64 HE3 TRP 64 89.625 6.255 -5.409 497 HZ2 TRP 64 HZ2 TRP 64 94.498 6.432 -4.454 498 HZ3 TRP 64 HZ3 TRP 64 91.224 6.855 -7.203 499 HH2 TRP 64 HH2 TRP 64 93.657 6.948 -6.732 500 H TRP 65 HN TRP 65 89.496 2.219 -3.297 501 HA TRP 65 HA TRP 65 91.533 1.294 -1.313 502 HB2 TRP 65 HB2 TRP 65 89.791 -0.317 -2.318 503 HB3 TRP 65 HB1 TRP 65 90.707 -0.185 -3.814 504 HD1 TRP 65 HD1 TRP 65 93.361 0.105 -1.480 505 HE1 TRP 65 HE1 TRP 65 94.429 -2.147 -0.882 506 HE3 TRP 65 HE3 TRP 65 89.734 -3.084 -3.164 507 HZ2 TRP 65 HZ2 TRP 65 93.856 -4.932 -1.098 508 HZ3 TRP 65 HZ3 TRP 65 90.038 -5.533 -2.960 509 HH2 TRP 65 HH2 TRP 65 92.090 -6.462 -1.930 510 H GLU 66 HN GLU 66 93.190 2.833 -1.808 511 HA GLU 66 HA GLU 66 93.988 3.652 -4.376 512 HB2 GLU 66 HB2 GLU 66 96.262 4.011 -3.333 513 HB3 GLU 66 HB1 GLU 66 94.913 4.758 -2.488 514 HG2 GLU 66 HG2 GLU 66 94.817 2.821 -0.949 515 HG3 GLU 66 HG1 GLU 66 96.195 2.119 -1.784 516 H LYS 67 HN LYS 67 94.531 0.550 -2.841 517 HA LYS 67 HA LYS 67 96.767 -0.202 -4.521 518 HB2 LYS 67 HB2 LYS 67 94.659 -2.069 -3.399 519 HB3 LYS 67 HB1 LYS 67 96.302 -2.487 -3.870 520 HG2 LYS 67 HG2 LYS 67 95.531 -0.660 -1.580 521 HG3 LYS 67 HG1 LYS 67 96.113 -2.315 -1.428 522 HD2 LYS 67 HD2 LYS 67 98.181 -1.497 -2.748 523 HD3 LYS 67 HD1 LYS 67 97.610 0.126 -2.358 524 HE2 LYS 67 HE2 LYS 67 99.024 -0.313 -0.547 525 HE3 LYS 67 HE1 LYS 67 97.460 -0.818 0.099 526 HZ1 LYS 67 HZ1 LYS 67 98.132 -2.917 0.215 527 HZ2 LYS 67 HZ2 LYS 67 99.710 -2.354 -0.069 528 HZ3 LYS 67 HZ3 LYS 67 98.754 -2.903 -1.363 529 H LYS 68 HN LYS 68 93.560 0.486 -5.021 530 HA LYS 68 HA LYS 68 93.530 -0.779 -7.718 531 HB2 LYS 68 HB2 LYS 68 90.984 -0.470 -6.140 532 HB3 LYS 68 HB1 LYS 68 91.369 -1.618 -7.420 533 HG2 LYS 68 HG2 LYS 68 92.723 -1.742 -4.705 534 HG3 LYS 68 HG1 LYS 68 91.207 -2.544 -5.038 535 HD2 LYS 68 HD2 LYS 68 92.152 -3.953 -6.682 536 HD3 LYS 68 HD1 LYS 68 93.592 -2.946 -6.827 537 HE2 LYS 68 HE2 LYS 68 94.553 -3.808 -4.906 538 HE3 LYS 68 HE1 LYS 68 93.005 -4.156 -4.142 539 HZ1 LYS 68 HZ1 LYS 68 94.402 -6.095 -5.024 540 HZ2 LYS 68 HZ2 LYS 68 93.859 -5.614 -6.560 541 HZ3 LYS 68 HZ3 LYS 68 92.742 -6.082 -5.369 542 H ARG 69 HN ARG 69 93.177 2.001 -5.773 543 HA ARG 69 HA ARG 69 92.392 4.162 -6.229 544 HB2 ARG 69 HB2 ARG 69 93.069 3.196 -9.031 545 HB3 ARG 69 HB1 ARG 69 92.537 4.834 -8.688 546 HG2 ARG 69 HG2 ARG 69 94.848 5.115 -8.598 547 HG3 ARG 69 HG1 ARG 69 94.502 4.785 -6.903 548 HD2 ARG 69 HD2 ARG 69 96.363 3.396 -7.545 549 HD3 ARG 69 HD1 ARG 69 94.952 2.356 -7.376 550 HE ARG 69 HE ARG 69 95.002 1.965 -9.712 551 HH11 ARG 69 HH11 ARG 69 95.984 2.147 -11.736 552 HH12 ARG 69 HH12 ARG 69 97.205 3.349 -11.988 553 HH21 ARG 69 HH21 ARG 69 97.043 4.570 -8.747 554 HH22 ARG 69 HH22 ARG 69 97.804 4.722 -10.296 555 H THR 70 HN THR 70 90.448 2.294 -5.744 556 HA THR 70 HA THR 70 88.331 2.804 -7.812 557 HB THR 70 HB THR 70 89.060 0.425 -7.153 558 HG1 THR 70 HG1 THR 70 86.487 0.238 -6.638 559 HG21 THR 70 HG21 THR 70 88.977 1.133 -4.639 560 HG22 THR 70 HG22 THR 70 88.447 -0.483 -5.100 561 HG23 THR 70 HG23 THR 70 87.256 0.781 -4.790 562 H TRP 71 HN TRP 71 86.115 2.380 -6.417 563 HA TRP 71 HA TRP 71 86.171 4.176 -4.041 564 HB2 TRP 71 HB2 TRP 71 83.807 4.884 -4.901 565 HB3 TRP 71 HB1 TRP 71 85.223 5.660 -5.581 566 HD1 TRP 71 HD1 TRP 71 84.490 2.127 -6.774 567 HE1 TRP 71 HE1 TRP 71 83.618 2.219 -9.157 568 HE3 TRP 71 HE3 TRP 71 83.874 7.169 -7.303 569 HZ2 TRP 71 HZ2 TRP 71 82.786 4.152 -11.096 570 HZ3 TRP 71 HZ3 TRP 71 83.044 8.106 -9.441 571 HH2 TRP 71 HH2 TRP 71 82.500 6.605 -11.338 572 H LEU 72 HN LEU 72 85.951 2.590 -2.577 573 HA LEU 72 HA LEU 72 84.526 0.195 -2.965 574 HB2 LEU 72 HB2 LEU 72 85.097 1.626 -0.373 575 HB3 LEU 72 HB1 LEU 72 84.697 -0.081 -0.534 576 HG LEU 72 HG LEU 72 87.029 1.199 -1.967 577 HD11 LEU 72 HD11 LEU 72 88.458 0.194 -0.207 578 HD12 LEU 72 HD12 LEU 72 87.001 -0.211 0.703 579 HD13 LEU 72 HD13 LEU 72 87.415 1.477 0.403 580 HD21 LEU 72 HD21 LEU 72 87.764 -1.332 -1.791 581 HD22 LEU 72 HD22 LEU 72 86.633 -0.826 -3.043 582 HD23 LEU 72 HD23 LEU 72 86.037 -1.613 -1.580 583 H LEU 73 HN LEU 73 82.607 0.685 -3.889 584 HA LEU 73 HA LEU 73 80.463 1.677 -2.051 585 HB2 LEU 73 HB2 LEU 73 79.229 2.410 -4.118 586 HB3 LEU 73 HB1 LEU 73 80.703 3.319 -3.807 587 HG LEU 73 HG LEU 73 81.711 1.343 -5.423 588 HD11 LEU 73 HD11 LEU 73 79.223 0.576 -5.697 589 HD12 LEU 73 HD12 LEU 73 80.233 0.715 -7.137 590 HD13 LEU 73 HD13 LEU 73 79.072 1.981 -6.745 591 HD21 LEU 73 HD21 LEU 73 81.987 3.787 -5.711 592 HD22 LEU 73 HD22 LEU 73 80.368 3.890 -6.386 593 HD23 LEU 73 HD23 LEU 73 81.624 2.998 -7.241 594 H LYS 74 HN LYS 74 81.786 -0.988 -3.025 595 HA LYS 74 HA LYS 74 79.628 -2.463 -4.299 596 HB2 LYS 74 HB2 LYS 74 81.933 -3.631 -2.727 597 HB3 LYS 74 HB1 LYS 74 81.023 -4.379 -4.029 598 HG2 LYS 74 HG2 LYS 74 82.739 -1.904 -4.392 599 HG3 LYS 74 HG1 LYS 74 83.317 -3.539 -4.680 600 HD2 LYS 74 HD2 LYS 74 82.580 -3.199 -6.826 601 HD3 LYS 74 HD1 LYS 74 80.986 -3.541 -6.175 602 HE2 LYS 74 HE2 LYS 74 80.708 -1.109 -5.760 603 HE3 LYS 74 HE1 LYS 74 82.264 -0.825 -6.513 604 HZ1 LYS 74 HZ1 LYS 74 80.985 -2.394 -8.309 605 HZ2 LYS 74 HZ2 LYS 74 81.117 -0.703 -8.403 606 HZ3 LYS 74 HZ3 LYS 74 79.730 -1.413 -7.726 607 H THR 75 HN THR 75 78.615 -1.147 -2.000 608 HA THR 75 HA THR 75 78.598 -2.658 0.381 609 HB THR 75 HB THR 75 76.109 -1.318 -0.687 610 HG1 THR 75 HG1 THR 75 77.528 0.419 0.651 611 HG21 THR 75 HG21 THR 75 77.149 -0.908 2.075 612 HG22 THR 75 HG22 THR 75 76.564 -2.535 1.706 613 HG23 THR 75 HG23 THR 75 75.490 -1.149 1.524 614 H HIS 76 HN HIS 76 77.618 -3.661 -2.660 615 HA HIS 76 HA HIS 76 75.272 -5.153 -2.216 616 HB2 HIS 76 HB2 HIS 76 77.636 -5.787 -3.996 617 HB3 HIS 76 HB1 HIS 76 76.072 -6.598 -4.087 618 HD1 HIS 76 HD1 HIS 76 74.019 -4.535 -4.070 619 HD2 HIS 76 HD2 HIS 76 77.693 -3.806 -5.901 620 HE1 HIS 76 HE1 HIS 76 73.643 -2.632 -5.700 621 H TRP 77 HN TRP 77 78.519 -6.657 -2.333 622 HA TRP 77 HA TRP 77 77.501 -8.790 -0.511 623 HB2 TRP 77 HB2 TRP 77 80.012 -8.634 -2.162 624 HB3 TRP 77 HB1 TRP 77 79.553 -10.009 -1.173 625 HD1 TRP 77 HD1 TRP 77 78.384 -7.998 -4.215 626 HE1 TRP 77 HE1 TRP 77 76.933 -9.521 -5.678 627 HE3 TRP 77 HE3 TRP 77 78.158 -12.138 -1.239 628 HZ2 TRP 77 HZ2 TRP 77 75.806 -12.155 -5.616 629 HZ3 TRP 77 HZ3 TRP 77 76.891 -14.140 -1.964 630 HH2 TRP 77 HH2 TRP 77 75.715 -14.155 -4.147 631 H THR 78 HN THR 78 80.868 -8.755 -0.412 632 HA THR 78 HA THR 78 81.047 -6.842 1.834 633 HB THR 78 HB THR 78 82.058 -9.422 2.780 634 HG1 THR 78 HG1 THR 78 80.442 -10.234 1.413 635 HG21 THR 78 HG21 THR 78 80.086 -7.354 3.749 636 HG22 THR 78 HG22 THR 78 81.576 -7.930 4.505 637 HG23 THR 78 HG23 THR 78 80.130 -8.940 4.506 638 H LEU 79 HN LEU 79 83.218 -6.498 2.518 639 HA LEU 79 HA LEU 79 85.139 -6.286 0.564 640 HB2 LEU 79 HB2 LEU 79 86.754 -6.018 2.251 641 HB3 LEU 79 HB1 LEU 79 85.293 -5.257 2.726 642 HG LEU 79 HG LEU 79 86.306 -7.897 3.685 643 HD11 LEU 79 HD11 LEU 79 85.883 -5.352 5.246 644 HD12 LEU 79 HD12 LEU 79 87.426 -5.755 4.491 645 HD13 LEU 79 HD13 LEU 79 86.761 -6.793 5.756 646 HD21 LEU 79 HD21 LEU 79 83.927 -8.099 3.850 647 HD22 LEU 79 HD22 LEU 79 83.749 -6.388 4.204 648 HD23 LEU 79 HD23 LEU 79 84.383 -7.474 5.434 649 H ASP 80 HN ASP 80 84.917 -9.026 2.816 650 HA ASP 80 HA ASP 80 87.000 -10.624 1.932 651 HB2 ASP 80 HB2 ASP 80 85.106 -11.041 3.624 652 HB3 ASP 80 HB1 ASP 80 84.212 -11.717 2.277 653 H LYS 81 HN LYS 81 83.961 -9.921 0.308 654 HA LYS 81 HA LYS 81 84.344 -11.941 -1.738 655 HB2 LYS 81 HB2 LYS 81 82.136 -11.528 -1.992 656 HB3 LYS 81 HB1 LYS 81 82.254 -10.093 -1.005 657 HG2 LYS 81 HG2 LYS 81 83.089 -10.022 -3.899 658 HG3 LYS 81 HG1 LYS 81 81.411 -9.882 -3.463 659 HD2 LYS 81 HD2 LYS 81 82.170 -8.000 -1.879 660 HD3 LYS 81 HD1 LYS 81 83.671 -8.035 -2.754 661 HE2 LYS 81 HE2 LYS 81 82.156 -7.883 -4.884 662 HE3 LYS 81 HE1 LYS 81 80.971 -7.259 -3.740 663 HZ1 LYS 81 HZ1 LYS 81 83.729 -6.205 -3.939 664 HZ2 LYS 81 HZ2 LYS 81 82.407 -5.512 -3.126 665 HZ3 LYS 81 HZ3 LYS 81 82.434 -5.560 -4.824 666 H TYR 82 HN TYR 82 85.213 -8.635 -1.262 667 HA TYR 82 HA TYR 82 86.149 -8.219 -3.973 668 HB2 TYR 82 HB2 TYR 82 85.574 -6.505 -1.983 669 HB3 TYR 82 HB1 TYR 82 87.295 -6.661 -1.676 670 HD1 TYR 82 HD1 TYR 82 85.125 -4.518 -3.133 671 HD2 TYR 82 HD2 TYR 82 88.571 -6.835 -4.247 672 HE1 TYR 82 HE1 TYR 82 85.593 -2.940 -4.987 673 HE2 TYR 82 HE2 TYR 82 89.033 -5.258 -6.097 674 HH TYR 82 HH TYR 82 87.340 -2.241 -6.411 675 H GLY 83 HN GLY 83 87.721 -8.920 -0.825 676 HA2 GLY 83 HA2 GLY 83 89.477 -10.801 -1.001 677 HA3 GLY 83 HA1 GLY 83 90.123 -9.940 -2.398 678 H ILE 84 HN ILE 84 88.957 -7.764 -0.264 679 HA ILE 84 HA ILE 84 91.427 -6.543 0.411 680 HB ILE 84 HB ILE 84 88.669 -6.505 1.581 681 HG12 ILE 84 HG12 ILE 84 89.974 -4.314 -0.014 682 HG13 ILE 84 HG11 ILE 84 89.164 -5.668 -0.793 683 HG21 ILE 84 HG21 ILE 84 89.253 -4.372 2.650 684 HG22 ILE 84 HG22 ILE 84 90.939 -4.629 2.184 685 HG23 ILE 84 HG23 ILE 84 90.145 -5.733 3.302 686 HD11 ILE 84 HD11 ILE 84 87.775 -4.097 1.373 687 HD12 ILE 84 HD12 ILE 84 87.065 -5.107 0.116 688 HD13 ILE 84 HD13 ILE 84 87.755 -3.541 -0.303 689 H GLN 85 HN GLN 85 92.327 -6.389 2.679 690 HA GLN 85 HA GLN 85 91.535 -8.473 4.574 691 HB2 GLN 85 HB2 GLN 85 93.354 -9.341 2.760 692 HB3 GLN 85 HB1 GLN 85 94.442 -8.633 3.947 693 HG2 GLN 85 HG2 GLN 85 94.242 -10.765 4.870 694 HG3 GLN 85 HG1 GLN 85 92.864 -9.997 5.675 695 HE21 GLN 85 HE21 GLN 85 90.991 -9.896 3.646 696 HE22 GLN 85 HE22 GLN 85 90.582 -11.459 3.147 697 H ALA 86 HN ALA 86 93.825 -8.378 6.211 698 HA ALA 86 HA ALA 86 93.553 -5.744 7.404 699 HB1 ALA 86 HB1 ALA 86 94.140 -8.156 8.402 700 HB2 ALA 86 HB2 ALA 86 94.683 -6.678 9.198 701 HB3 ALA 86 HB3 ALA 86 95.789 -7.586 8.160 702 H ASP 87 HN ASP 87 95.690 -7.155 5.080 703 HA ASP 87 HA ASP 87 97.803 -5.151 5.507 704 HB2 ASP 87 HB2 ASP 87 98.649 -6.269 3.303 705 HB3 ASP 87 HB1 ASP 87 98.678 -7.210 4.794 706 H ALA 88 HN ALA 88 94.810 -4.970 4.223 707 HA ALA 88 HA ALA 88 95.544 -3.374 1.828 708 HB1 ALA 88 HB1 ALA 88 93.703 -4.620 1.218 709 HB2 ALA 88 HB2 ALA 88 92.824 -3.278 1.950 710 HB3 ALA 88 HB3 ALA 88 93.131 -4.752 2.878 711 H LYS 89 HN LYS 89 96.029 -1.256 2.244 712 HA LYS 89 HA LYS 89 94.711 0.117 4.541 713 HB2 LYS 89 HB2 LYS 89 96.823 1.394 2.816 714 HB3 LYS 89 HB1 LYS 89 96.474 1.653 4.524 715 HG2 LYS 89 HG2 LYS 89 97.651 -0.897 3.379 716 HG3 LYS 89 HG1 LYS 89 98.575 0.382 4.140 717 HD2 LYS 89 HD2 LYS 89 97.578 0.005 6.264 718 HD3 LYS 89 HD1 LYS 89 96.309 -1.003 5.574 719 HE2 LYS 89 HE2 LYS 89 98.018 -2.397 6.652 720 HE3 LYS 89 HE1 LYS 89 97.981 -2.673 4.909 721 HZ1 LYS 89 HZ1 LYS 89 100.039 -1.898 4.683 722 HZ2 LYS 89 HZ2 LYS 89 100.179 -2.021 6.372 723 HZ3 LYS 89 HZ3 LYS 89 99.741 -0.543 5.658 724 H LEU 90 HN LEU 90 93.080 1.412 4.223 725 HA LEU 90 HA LEU 90 92.498 2.423 1.453 726 HB2 LEU 90 HB2 LEU 90 90.350 2.368 3.545 727 HB3 LEU 90 HB1 LEU 90 90.226 2.136 1.804 728 HG LEU 90 HG LEU 90 91.459 0.156 3.719 729 HD11 LEU 90 HD11 LEU 90 89.363 -1.167 3.139 730 HD12 LEU 90 HD12 LEU 90 88.713 0.331 2.475 731 HD13 LEU 90 HD13 LEU 90 89.118 0.229 4.189 732 HD21 LEU 90 HD21 LEU 90 90.618 -0.160 0.821 733 HD22 LEU 90 HD22 LEU 90 91.437 -1.366 1.815 734 HD23 LEU 90 HD23 LEU 90 92.281 0.104 1.338 735 H GLN 91 HN GLN 91 90.956 4.436 1.703 736 HA GLN 91 HA GLN 91 92.072 6.296 3.768 737 HB2 GLN 91 HB2 GLN 91 91.405 7.127 0.933 738 HB3 GLN 91 HB1 GLN 91 92.261 8.057 2.158 739 HG2 GLN 91 HG2 GLN 91 94.262 6.890 1.867 740 HG3 GLN 91 HG1 GLN 91 93.462 5.446 1.268 741 HE21 GLN 91 HE21 GLN 91 92.240 8.314 -0.106 742 HE22 GLN 91 HE22 GLN 91 93.033 8.194 -1.592 743 H PHE 92 HN PHE 92 90.563 8.250 3.948 744 HA PHE 92 HA PHE 92 87.735 7.456 3.401 745 HB2 PHE 92 HB2 PHE 92 88.257 7.181 5.764 746 HB3 PHE 92 HB1 PHE 92 88.889 8.805 5.856 747 HD1 PHE 92 HD1 PHE 92 85.834 8.383 3.809 748 HD2 PHE 92 HD2 PHE 92 87.339 9.084 7.782 749 HE1 PHE 92 HE1 PHE 92 83.607 9.145 4.525 750 HE2 PHE 92 HE2 PHE 92 85.099 9.860 8.481 751 HZ PHE 92 HZ PHE 92 83.235 9.888 6.856 752 H THR 93 HN THR 93 87.713 8.697 1.517 753 HA THR 93 HA THR 93 87.655 11.652 1.920 754 HB THR 93 HB THR 93 89.619 11.966 0.805 755 HG1 THR 93 HG1 THR 93 89.699 11.513 -1.348 756 HG21 THR 93 HG21 THR 93 90.401 9.862 1.750 757 HG22 THR 93 HG22 THR 93 91.007 10.024 0.103 758 HG23 THR 93 HG23 THR 93 89.642 8.958 0.437 759 HA PRO 94 HA PRO 94 84.286 12.205 -0.907 760 HB2 PRO 94 HB2 PRO 94 86.352 13.059 -2.926 761 HB3 PRO 94 HB1 PRO 94 84.761 13.775 -2.581 762 HG2 PRO 94 HG2 PRO 94 86.966 14.854 -1.579 763 HG3 PRO 94 HG1 PRO 94 85.482 14.759 -0.613 764 HD2 PRO 94 HD2 PRO 94 88.005 13.225 -0.306 765 HD3 PRO 94 HD1 PRO 94 86.752 13.566 0.903 766 H TYR 541 HT1 TYR 541 57.287 32.272 4.630 767 HA TYR 541 HA TYR 541 57.890 35.095 5.196 768 HB2 TYR 541 HB2 TYR 541 58.477 33.534 2.691 769 HB3 TYR 541 HB1 TYR 541 57.878 35.184 2.529 770 HD1 TYR 541 HD1 TYR 541 59.361 37.003 2.732 771 HD2 TYR 541 HD2 TYR 541 60.509 33.162 4.279 772 HE1 TYR 541 HE1 TYR 541 61.634 37.872 3.206 773 HE2 TYR 541 HE2 TYR 541 62.780 34.033 4.754 774 HH TYR 541 HH TYR 541 63.531 37.395 4.590 775 H HIS 542 HN HIS 542 55.709 32.746 5.191 776 HA HIS 542 HA HIS 542 53.665 33.418 3.394 777 HB2 HIS 542 HB2 HIS 542 53.376 32.553 6.286 778 HB3 HIS 542 HB1 HIS 542 52.134 32.444 5.046 779 HD1 HIS 542 HD1 HIS 542 55.293 31.741 3.492 780 HD2 HIS 542 HD2 HIS 542 52.586 29.520 5.757 781 HE1 HIS 542 HE1 HIS 542 55.826 29.302 3.059 782 H GLU 543 HN GLU 543 53.292 34.355 6.832 783 HA GLU 543 HA GLU 543 52.689 37.147 5.950 784 HB2 GLU 543 HB2 GLU 543 50.847 37.006 7.785 785 HB3 GLU 543 HB1 GLU 543 50.509 36.301 6.213 786 HG2 GLU 543 HG2 GLU 543 51.768 34.580 8.346 787 HG3 GLU 543 HG1 GLU 543 50.042 34.908 8.419 788 H ARG 544 HN ARG 544 52.040 36.126 9.179 789 HA ARG 544 HA ARG 544 54.134 37.877 10.191 790 HB2 ARG 544 HB2 ARG 544 51.920 36.265 11.459 791 HB3 ARG 544 HB1 ARG 544 53.147 37.052 12.441 792 HG2 ARG 544 HG2 ARG 544 51.311 38.593 12.265 793 HG3 ARG 544 HG1 ARG 544 52.610 39.201 11.252 794 HD2 ARG 544 HD2 ARG 544 51.524 38.673 9.271 795 HD3 ARG 544 HD1 ARG 544 50.543 37.422 10.034 796 HE ARG 544 HE ARG 544 49.648 39.707 11.262 797 HH11 ARG 544 HH11 ARG 544 47.976 40.989 10.429 798 HH12 ARG 544 HH12 ARG 544 47.665 40.981 8.725 799 HH21 ARG 544 HH21 ARG 544 50.191 38.716 8.006 800 HH22 ARG 544 HH22 ARG 544 48.918 39.693 7.354 801 H ARG 545 HN ARG 545 53.426 34.933 11.940 802 HA ARG 545 HA ARG 545 56.314 34.343 12.002 803 HB2 ARG 545 HB2 ARG 545 55.195 32.397 13.584 804 HB3 ARG 545 HB1 ARG 545 55.624 33.997 14.154 805 HG2 ARG 545 HG2 ARG 545 53.350 33.441 14.844 806 HG3 ARG 545 HG1 ARG 545 53.318 34.783 13.710 807 HD2 ARG 545 HD2 ARG 545 51.577 33.311 13.014 808 HD3 ARG 545 HD1 ARG 545 52.894 33.022 11.883 809 HE ARG 545 HE ARG 545 53.328 31.157 13.884 810 HH11 ARG 545 HH11 ARG 545 52.411 29.090 13.855 811 HH12 ARG 545 HH12 ARG 545 50.960 28.814 12.952 812 HH21 ARG 545 HH21 ARG 545 50.705 32.094 11.853 813 HH22 ARG 545 HH22 ARG 545 49.994 30.515 11.817 814 H GLY 546 HN GLY 546 54.358 31.525 12.308 815 HA2 GLY 546 HA2 GLY 546 54.007 30.522 9.757 816 HA3 GLY 546 HA1 GLY 546 55.734 30.291 10.058 817 H SER 547 HN SER 547 56.402 28.742 11.570 818 HA SER 547 HA SER 547 54.388 27.355 13.219 819 HB2 SER 547 HB2 SER 547 55.703 26.130 10.811 820 HB3 SER 547 HB1 SER 547 55.410 25.118 12.225 821 HG SER 547 HG SER 547 53.244 26.597 11.755 822 H LEU 548 HN LEU 548 55.445 27.389 15.136 823 HA LEU 548 HA LEU 548 58.234 27.773 15.406 824 HB2 LEU 548 HB2 LEU 548 55.955 27.170 17.190 825 HB3 LEU 548 HB1 LEU 548 57.504 26.613 17.808 826 HG LEU 548 HG LEU 548 58.405 28.949 17.338 827 HD11 LEU 548 HD11 LEU 548 55.489 29.382 16.732 828 HD12 LEU 548 HD12 LEU 548 56.895 29.862 15.791 829 HD13 LEU 548 HD13 LEU 548 56.514 30.704 17.285 830 HD21 LEU 548 HD21 LEU 548 57.507 28.070 19.590 831 HD22 LEU 548 HD22 LEU 548 56.076 29.038 19.242 832 HD23 LEU 548 HD23 LEU 548 57.654 29.815 19.389 833 H CYS 549 HN CYS 549 59.958 26.405 15.580 834 HA CYS 549 HA CYS 549 59.488 23.584 14.867 835 HB2 CYS 549 HB2 CYS 549 61.406 24.459 13.805 836 HB3 CYS 549 HB1 CYS 549 61.888 25.374 15.222 837 H SER 550 HN SER 550 58.655 22.533 16.573 838 HA SER 550 HA SER 550 58.911 23.082 19.278 839 HB2 SER 550 HB2 SER 550 57.309 21.481 18.772 840 HB3 SER 550 HB1 SER 550 58.412 20.543 17.770 841 HG SER 550 HG SER 550 59.110 19.539 19.492 842 H GLY 551 HN GLY 551 60.500 23.054 20.641 843 HA2 GLY 551 HA2 GLY 551 62.423 21.900 21.706 844 HA3 GLY 551 HA1 GLY 551 62.944 21.404 20.090 845 H CYS 552 HN CYS 552 62.249 23.851 18.835 846 HA CYS 552 HA CYS 552 64.476 25.607 19.771 847 HB2 CYS 552 HB2 CYS 552 63.140 25.030 17.139 848 HB3 CYS 552 HB1 CYS 552 63.940 26.576 17.372 849 H GLN 553 HN GLN 553 61.105 25.391 18.855 850 HA GLN 553 HA GLN 553 59.350 26.838 19.053 851 HB2 GLN 553 HB2 GLN 553 60.947 27.756 21.426 852 HB3 GLN 553 HB1 GLN 553 59.280 28.238 21.100 853 HG2 GLN 553 HG2 GLN 553 60.189 25.366 21.299 854 HG3 GLN 553 HG1 GLN 553 59.479 26.252 22.633 855 HE21 GLN 553 HE21 GLN 553 58.818 24.958 19.404 856 HE22 GLN 553 HE22 GLN 553 57.127 24.932 19.559 857 H LYS 554 HN LYS 554 60.660 27.520 17.101 858 HA LYS 554 HA LYS 554 60.648 30.475 17.071 859 HB2 LYS 554 HB2 LYS 554 62.840 28.755 15.889 860 HB3 LYS 554 HB1 LYS 554 62.656 30.474 15.570 861 HG2 LYS 554 HG2 LYS 554 63.035 29.272 18.326 862 HG3 LYS 554 HG1 LYS 554 64.329 29.975 17.363 863 HD2 LYS 554 HD2 LYS 554 62.711 32.073 17.267 864 HD3 LYS 554 HD1 LYS 554 62.005 31.334 18.704 865 HE2 LYS 554 HE2 LYS 554 64.311 31.250 19.708 866 HE3 LYS 554 HE1 LYS 554 64.890 32.176 18.323 867 HZ1 LYS 554 HZ1 LYS 554 64.232 34.007 19.349 868 HZ2 LYS 554 HZ2 LYS 554 63.600 33.107 20.644 869 HZ3 LYS 554 HZ3 LYS 554 62.626 33.465 19.298 870 HA PRO 555 HA PRO 555 57.762 29.304 13.763 871 HB2 PRO 555 HB2 PRO 555 58.735 31.800 12.484 872 HB3 PRO 555 HB1 PRO 555 57.083 31.275 12.806 873 HG2 PRO 555 HG2 PRO 555 58.369 33.172 14.310 874 HG3 PRO 555 HG1 PRO 555 57.083 32.143 14.948 875 HD2 PRO 555 HD2 PRO 555 59.963 32.096 15.591 876 HD3 PRO 555 HD1 PRO 555 58.615 31.311 16.451 877 H ILE 556 HN ILE 556 57.934 28.130 11.989 878 HA ILE 556 HA ILE 556 60.572 27.851 10.649 879 HB ILE 556 HB ILE 556 58.024 26.201 10.648 880 HG12 ILE 556 HG12 ILE 556 60.737 25.280 11.595 881 HG13 ILE 556 HG11 ILE 556 59.761 26.266 12.663 882 HG21 ILE 556 HG21 ILE 556 60.619 25.895 9.130 883 HG22 ILE 556 HG22 ILE 556 58.974 25.900 8.492 884 HG23 ILE 556 HG23 ILE 556 59.548 24.531 9.447 885 HD11 ILE 556 HD11 ILE 556 58.259 24.581 13.058 886 HD12 ILE 556 HD12 ILE 556 59.581 23.545 12.532 887 HD13 ILE 556 HD13 ILE 556 58.314 23.994 11.394 888 H THR 557 HN THR 557 60.592 29.566 9.163 889 HA THR 557 HA THR 557 58.203 29.966 7.430 890 HB THR 557 HB THR 557 59.228 32.087 6.859 891 HG1 THR 557 HG1 THR 557 61.287 32.398 7.122 892 HG21 THR 557 HG21 THR 557 57.979 31.901 8.977 893 HG22 THR 557 HG22 THR 557 59.293 33.069 9.123 894 HG23 THR 557 HG23 THR 557 59.464 31.456 9.817 895 H GLY 558 HN GLY 558 58.422 28.214 6.039 896 HA2 GLY 558 HA2 GLY 558 59.508 28.456 3.565 897 HA3 GLY 558 HA1 GLY 558 60.867 27.790 4.481 898 H ARG 559 HN ARG 559 60.784 25.681 5.157 899 HA ARG 559 HA ARG 559 58.433 24.039 4.310 900 HB2 ARG 559 HB2 ARG 559 61.408 23.570 4.300 901 HB3 ARG 559 HB1 ARG 559 60.348 22.181 4.536 902 HG2 ARG 559 HG2 ARG 559 59.799 24.099 2.284 903 HG3 ARG 559 HG1 ARG 559 61.067 22.897 2.095 904 HD2 ARG 559 HD2 ARG 559 59.490 21.098 2.587 905 HD3 ARG 559 HD1 ARG 559 58.198 22.253 2.880 906 HE ARG 559 HE ARG 559 59.027 21.176 0.335 907 HH11 ARG 559 HH11 ARG 559 58.527 22.138 -1.620 908 HH12 ARG 559 HH12 ARG 559 57.948 23.770 -1.650 909 HH21 ARG 559 HH21 ARG 559 58.073 24.164 1.787 910 HH22 ARG 559 HH22 ARG 559 57.692 24.912 0.272 911 H CYS 560 HN CYS 560 57.793 22.382 5.851 912 HA CYS 560 HA CYS 560 59.077 22.540 8.517 913 HB2 CYS 560 HB2 CYS 560 56.888 22.831 9.642 914 HB3 CYS 560 HB1 CYS 560 57.354 24.235 8.676 915 HG CYS 560 HG CYS 560 55.278 22.113 7.667 916 H ILE 561 HN ILE 561 59.342 20.642 9.344 917 HA ILE 561 HA ILE 561 57.896 18.322 8.224 918 HB ILE 561 HB ILE 561 60.154 18.560 10.238 919 HG12 ILE 561 HG12 ILE 561 60.014 17.760 7.337 920 HG13 ILE 561 HG11 ILE 561 60.715 19.244 7.957 921 HG21 ILE 561 HG21 ILE 561 58.720 16.474 10.508 922 HG22 ILE 561 HG22 ILE 561 60.402 16.165 10.077 923 HG23 ILE 561 HG23 ILE 561 59.146 16.060 8.842 924 HD11 ILE 561 HD11 ILE 561 62.283 17.797 9.328 925 HD12 ILE 561 HD12 ILE 561 62.547 17.741 7.584 926 HD13 ILE 561 HD13 ILE 561 61.701 16.417 8.394 927 H THR 562 HN THR 562 56.599 17.066 9.481 928 HA THR 562 HA THR 562 55.807 18.167 12.152 929 HB THR 562 HB THR 562 53.921 16.714 10.308 930 HG1 THR 562 HG1 THR 562 54.073 19.507 10.690 931 HG21 THR 562 HG21 THR 562 52.235 17.616 11.789 932 HG22 THR 562 HG22 THR 562 53.440 18.596 12.627 933 HG23 THR 562 HG23 THR 562 53.472 16.838 12.780 934 H ALA 563 HN ALA 563 55.362 16.730 13.727 935 HA ALA 563 HA ALA 563 56.083 13.875 13.206 936 HB1 ALA 563 HB1 ALA 563 56.604 15.431 15.736 937 HB2 ALA 563 HB2 ALA 563 57.792 15.296 14.435 938 HB3 ALA 563 HB3 ALA 563 57.245 13.847 15.294 939 H MET 564 HN MET 564 55.475 13.991 16.308 940 HA MET 564 HA MET 564 52.884 12.783 16.164 941 HB2 MET 564 HB2 MET 564 53.987 14.060 18.654 942 HB3 MET 564 HB1 MET 564 53.091 12.550 18.486 943 HG2 MET 564 HG2 MET 564 55.133 11.731 17.109 944 HG3 MET 564 HG1 MET 564 55.971 13.113 17.812 945 HE1 MET 564 HE1 MET 564 54.251 9.425 19.880 946 HE2 MET 564 HE2 MET 564 55.138 9.370 18.359 947 HE3 MET 564 HE3 MET 564 53.625 10.268 18.456 948 H ALA 565 HN ALA 565 53.254 15.505 15.109 949 HA ALA 565 HA ALA 565 51.447 17.084 14.725 950 HB1 ALA 565 HB1 ALA 565 51.090 17.151 17.734 951 HB2 ALA 565 HB2 ALA 565 50.082 16.155 16.675 952 HB3 ALA 565 HB3 ALA 565 50.076 17.907 16.510 953 H LYS 566 HN LYS 566 54.227 16.753 16.508 954 HA LYS 566 HA LYS 566 54.620 19.585 17.159 955 HB2 LYS 566 HB2 LYS 566 56.654 17.342 17.053 956 HB3 LYS 566 HB1 LYS 566 56.815 18.870 17.896 957 HG2 LYS 566 HG2 LYS 566 54.681 16.815 18.526 958 HG3 LYS 566 HG1 LYS 566 56.211 16.931 19.380 959 HD2 LYS 566 HD2 LYS 566 55.103 18.358 20.792 960 HD3 LYS 566 HD1 LYS 566 55.328 19.556 19.521 961 HE2 LYS 566 HE2 LYS 566 53.022 19.679 19.885 962 HE3 LYS 566 HE1 LYS 566 53.093 18.521 18.558 963 HZ1 LYS 566 HZ1 LYS 566 53.347 17.384 21.209 964 HZ2 LYS 566 HZ2 LYS 566 52.452 16.840 19.871 965 HZ3 LYS 566 HZ3 LYS 566 51.834 18.070 20.866 966 H LYS 567 HN LYS 567 56.080 20.970 16.010 967 HA LYS 567 HA LYS 567 56.462 20.179 13.162 968 HB2 LYS 567 HB2 LYS 567 57.096 22.906 14.224 969 HB3 LYS 567 HB1 LYS 567 56.476 22.454 12.649 970 HG2 LYS 567 HG2 LYS 567 54.931 22.387 15.265 971 HG3 LYS 567 HG1 LYS 567 54.720 23.554 13.969 972 HD2 LYS 567 HD2 LYS 567 54.258 20.554 13.647 973 HD3 LYS 567 HD1 LYS 567 52.991 21.742 13.949 974 HE2 LYS 567 HE2 LYS 567 53.876 22.977 11.871 975 HE3 LYS 567 HE1 LYS 567 54.753 21.491 11.516 976 HZ1 LYS 567 HZ1 LYS 567 52.745 20.276 11.415 977 HZ2 LYS 567 HZ2 LYS 567 52.509 21.672 10.476 978 HZ3 LYS 567 HZ3 LYS 567 51.838 21.570 12.033 979 H PHE 568 HN PHE 568 58.664 21.172 12.235 980 HA PHE 568 HA PHE 568 60.850 21.101 14.201 981 HB2 PHE 568 HB2 PHE 568 60.021 18.691 12.721 982 HB3 PHE 568 HB1 PHE 568 61.717 19.053 12.467 983 HD1 PHE 568 HD1 PHE 568 62.886 19.931 14.809 984 HD2 PHE 568 HD2 PHE 568 59.575 17.210 14.480 985 HE1 PHE 568 HE1 PHE 568 63.427 19.000 17.043 986 HE2 PHE 568 HE2 PHE 568 60.118 16.281 16.714 987 HZ PHE 568 HZ PHE 568 62.043 17.176 17.995 988 H HIS 569 HN HIS 569 62.564 22.228 13.427 989 HA HIS 569 HA HIS 569 62.458 23.682 11.000 990 HB2 HIS 569 HB2 HIS 569 64.636 22.888 12.885 991 HB3 HIS 569 HB1 HIS 569 65.103 23.587 11.348 992 HD2 HIS 569 HD2 HIS 569 63.429 26.196 11.003 993 HE1 HIS 569 HE1 HIS 569 64.057 26.987 15.098 994 HA PRO 570 HA PRO 570 62.845 19.898 8.463 995 HB2 PRO 570 HB2 PRO 570 63.817 21.871 6.438 996 HB3 PRO 570 HB1 PRO 570 62.565 20.627 6.285 997 HG2 PRO 570 HG2 PRO 570 61.964 23.270 6.558 998 HG3 PRO 570 HG1 PRO 570 60.916 21.986 7.169 999 HD2 PRO 570 HD2 PRO 570 62.607 23.884 8.695 1000 HD3 PRO 570 HD1 PRO 570 61.204 22.931 9.239 1001 H GLU 571 HN GLU 571 65.273 22.092 9.436 1002 HA GLU 571 HA GLU 571 67.471 20.462 8.280 1003 HB2 GLU 571 HB2 GLU 571 67.870 22.937 9.947 1004 HB3 GLU 571 HB1 GLU 571 68.860 22.309 8.631 1005 HG2 GLU 571 HG2 GLU 571 66.885 22.768 7.095 1006 HG3 GLU 571 HG1 GLU 571 66.164 23.648 8.446 1007 H HIS 572 HN HIS 572 66.540 21.887 11.418 1008 HA HIS 572 HA HIS 572 68.463 20.512 12.970 1009 HB2 HIS 572 HB2 HIS 572 65.664 21.194 13.913 1010 HB3 HIS 572 HB1 HIS 572 67.110 21.024 14.907 1011 HD2 HIS 572 HD2 HIS 572 68.869 22.753 12.426 1012 HE1 HIS 572 HE1 HIS 572 66.676 25.980 14.014 1013 H PHE 573 HN PHE 573 66.040 19.156 11.134 1014 HA PHE 573 HA PHE 573 66.169 16.611 12.731 1015 HB2 PHE 573 HB2 PHE 573 63.874 17.854 12.567 1016 HB3 PHE 573 HB1 PHE 573 63.881 17.308 10.894 1017 HD1 PHE 573 HD1 PHE 573 64.314 16.046 14.392 1018 HD2 PHE 573 HD2 PHE 573 63.128 15.138 10.364 1019 HE1 PHE 573 HE1 PHE 573 63.530 13.810 15.126 1020 HE2 PHE 573 HE2 PHE 573 62.345 12.902 11.098 1021 HZ PHE 573 HZ PHE 573 62.546 12.239 13.479 1022 H VAL 574 HN VAL 574 68.149 17.096 10.999 1023 HA VAL 574 HA VAL 574 67.470 16.032 8.345 1024 HB VAL 574 HB VAL 574 69.937 16.347 7.921 1025 HG11 VAL 574 HG11 VAL 574 67.851 18.287 8.072 1026 HG12 VAL 574 HG12 VAL 574 69.304 18.346 7.094 1027 HG13 VAL 574 HG13 VAL 574 69.310 19.067 8.683 1028 HG21 VAL 574 HG21 VAL 574 70.624 16.154 10.293 1029 HG22 VAL 574 HG22 VAL 574 69.799 17.675 10.651 1030 HG23 VAL 574 HG23 VAL 574 71.197 17.662 9.578 1031 H CYS 575 HN CYS 575 69.255 14.397 7.514 1032 HA CYS 575 HA CYS 575 69.154 12.003 9.210 1033 HB2 CYS 575 HB2 CYS 575 69.171 11.132 7.105 1034 HB3 CYS 575 HB1 CYS 575 69.711 12.662 6.430 1035 H ALA 576 HN ALA 576 70.983 11.055 10.326 1036 HA ALA 576 HA ALA 576 73.167 13.066 10.698 1037 HB1 ALA 576 HB1 ALA 576 73.756 11.844 12.629 1038 HB2 ALA 576 HB2 ALA 576 73.021 10.356 12.032 1039 HB3 ALA 576 HB3 ALA 576 71.999 11.686 12.578 1040 H PHE 577 HN PHE 577 73.742 12.678 8.425 1041 HA PHE 577 HA PHE 577 76.139 11.062 8.289 1042 HB2 PHE 577 HB2 PHE 577 74.166 9.610 7.246 1043 HB3 PHE 577 HB1 PHE 577 74.314 10.716 5.893 1044 HD1 PHE 577 HD1 PHE 577 74.898 7.688 5.800 1045 HD2 PHE 577 HD2 PHE 577 77.508 11.058 6.487 1046 HE1 PHE 577 HE1 PHE 577 76.828 6.402 4.970 1047 HE2 PHE 577 HE2 PHE 577 79.398 9.741 5.664 1048 HZ PHE 577 HZ PHE 577 79.073 7.429 4.904 1049 H CYS 578 HN CYS 578 73.816 12.558 6.179 1050 HA CYS 578 HA CYS 578 75.711 14.718 5.365 1051 HB2 CYS 578 HB2 CYS 578 74.193 14.922 3.382 1052 HB3 CYS 578 HB1 CYS 578 74.945 13.340 3.472 1053 H LEU 579 HN LEU 579 75.131 15.820 7.296 1054 HA LEU 579 HA LEU 579 72.609 16.309 8.326 1055 HB2 LEU 579 HB2 LEU 579 73.946 18.667 8.932 1056 HB3 LEU 579 HB1 LEU 579 74.068 17.170 9.839 1057 HG LEU 579 HG LEU 579 76.253 18.291 9.135 1058 HD11 LEU 579 HD11 LEU 579 75.514 15.426 8.977 1059 HD12 LEU 579 HD12 LEU 579 76.770 16.227 9.908 1060 HD13 LEU 579 HD13 LEU 579 77.052 15.841 8.216 1061 HD21 LEU 579 HD21 LEU 579 76.852 18.550 6.990 1062 HD22 LEU 579 HD22 LEU 579 75.159 18.311 6.592 1063 HD23 LEU 579 HD23 LEU 579 76.282 16.955 6.516 1064 H LYS 580 HN LYS 580 72.926 17.008 5.162 1065 HA LYS 580 HA LYS 580 72.016 19.821 5.352 1066 HB2 LYS 580 HB2 LYS 580 72.449 20.002 3.103 1067 HB3 LYS 580 HB1 LYS 580 73.485 18.636 3.472 1068 HG2 LYS 580 HG2 LYS 580 70.653 18.349 2.382 1069 HG3 LYS 580 HG1 LYS 580 72.099 18.360 1.391 1070 HD2 LYS 580 HD2 LYS 580 72.847 16.311 2.173 1071 HD3 LYS 580 HD1 LYS 580 71.980 16.447 3.700 1072 HE2 LYS 580 HE2 LYS 580 71.056 14.776 1.974 1073 HE3 LYS 580 HE1 LYS 580 69.911 15.901 2.702 1074 HZ1 LYS 580 HZ1 LYS 580 70.574 17.367 0.678 1075 HZ2 LYS 580 HZ2 LYS 580 69.425 16.128 0.492 1076 HZ3 LYS 580 HZ3 LYS 580 71.030 15.886 -0.012 1077 H GLN 581 HN GLN 581 70.386 16.671 4.517 1078 HA GLN 581 HA GLN 581 67.930 17.954 5.348 1079 HB2 GLN 581 HB2 GLN 581 68.264 18.848 3.048 1080 HB3 GLN 581 HB1 GLN 581 67.997 17.217 2.437 1081 HG2 GLN 581 HG2 GLN 581 65.869 18.281 2.361 1082 HG3 GLN 581 HG1 GLN 581 65.802 17.262 3.784 1083 HE21 GLN 581 HE21 GLN 581 66.299 18.409 5.919 1084 HE22 GLN 581 HE22 GLN 581 65.865 20.035 6.050 1085 H LEU 582 HN LEU 582 66.289 16.686 5.839 1086 HA LEU 582 HA LEU 582 66.283 13.840 4.989 1087 HB2 LEU 582 HB2 LEU 582 67.273 14.166 7.299 1088 HB3 LEU 582 HB1 LEU 582 65.691 14.724 7.815 1089 HG LEU 582 HG LEU 582 64.729 12.549 7.165 1090 HD11 LEU 582 HD11 LEU 582 65.913 11.517 5.494 1091 HD12 LEU 582 HD12 LEU 582 66.752 10.755 6.842 1092 HD13 LEU 582 HD13 LEU 582 67.460 12.159 6.038 1093 HD21 LEU 582 HD21 LEU 582 67.021 12.704 9.103 1094 HD22 LEU 582 HD22 LEU 582 66.183 11.175 8.871 1095 HD23 LEU 582 HD23 LEU 582 65.299 12.597 9.424 1096 H ASN 583 HN ASN 583 64.017 12.900 5.570 1097 HA ASN 583 HA ASN 583 61.891 14.984 5.677 1098 HB2 ASN 583 HB2 ASN 583 62.385 13.083 3.377 1099 HB3 ASN 583 HB1 ASN 583 60.765 13.684 3.714 1100 HD21 ASN 583 HD21 ASN 583 61.870 14.396 1.301 1101 HD22 ASN 583 HD22 ASN 583 62.316 16.029 1.316 1102 H LYS 584 HN LYS 584 60.284 14.298 6.974 1103 HA LYS 584 HA LYS 584 60.335 11.947 8.479 1104 HB2 LYS 584 HB2 LYS 584 57.862 12.342 8.770 1105 HB3 LYS 584 HB1 LYS 584 58.864 13.753 9.116 1106 HG2 LYS 584 HG2 LYS 584 58.480 14.609 6.838 1107 HG3 LYS 584 HG1 LYS 584 57.493 13.202 6.466 1108 HD2 LYS 584 HD2 LYS 584 56.902 15.387 8.486 1109 HD3 LYS 584 HD1 LYS 584 56.017 15.041 7.003 1110 HE2 LYS 584 HE2 LYS 584 55.648 12.678 8.070 1111 HE3 LYS 584 HE1 LYS 584 56.060 13.492 9.580 1112 HZ1 LYS 584 HZ1 LYS 584 53.684 13.707 7.964 1113 HZ2 LYS 584 HZ2 LYS 584 54.318 15.206 8.453 1114 HZ3 LYS 584 HZ3 LYS 584 53.910 14.034 9.613 1115 H GLY 585 HN GLY 585 59.319 12.420 5.209 1116 HA2 GLY 585 HA2 GLY 585 57.806 9.903 5.079 1117 HA3 GLY 585 HA1 GLY 585 58.111 11.009 3.742 1118 H THR 586 HN THR 586 61.001 10.998 4.713 1119 HA THR 586 HA THR 586 61.832 8.319 3.675 1120 HB THR 586 HB THR 586 63.291 9.249 2.100 1121 HG1 THR 586 HG1 THR 586 64.194 11.199 2.335 1122 HG21 THR 586 HG21 THR 586 61.983 10.832 0.803 1123 HG22 THR 586 HG22 THR 586 61.075 11.322 2.237 1124 HG23 THR 586 HG23 THR 586 60.866 9.702 1.571 1125 H PHE 587 HN PHE 587 61.685 9.633 6.373 1126 HA PHE 587 HA PHE 587 64.556 9.949 7.040 1127 HB2 PHE 587 HB2 PHE 587 63.910 10.784 9.113 1128 HB3 PHE 587 HB1 PHE 587 62.646 11.361 8.055 1129 HD1 PHE 587 HD1 PHE 587 60.852 9.061 7.736 1130 HD2 PHE 587 HD2 PHE 587 62.991 10.379 11.222 1131 HE1 PHE 587 HE1 PHE 587 59.174 7.961 9.179 1132 HE2 PHE 587 HE2 PHE 587 61.312 9.270 12.664 1133 HZ PHE 587 HZ PHE 587 59.404 8.061 11.645 1134 H LYS 588 HN LYS 588 65.654 8.147 7.180 1135 HA LYS 588 HA LYS 588 64.456 5.710 8.387 1136 HB2 LYS 588 HB2 LYS 588 66.069 6.167 6.122 1137 HB3 LYS 588 HB1 LYS 588 67.178 5.525 7.289 1138 HG2 LYS 588 HG2 LYS 588 66.126 3.793 5.804 1139 HG3 LYS 588 HG1 LYS 588 65.952 3.490 7.519 1140 HD2 LYS 588 HD2 LYS 588 63.912 3.132 5.910 1141 HD3 LYS 588 HD1 LYS 588 63.650 3.853 7.479 1142 HE2 LYS 588 HE2 LYS 588 63.217 5.962 6.569 1143 HE3 LYS 588 HE1 LYS 588 64.197 5.655 5.153 1144 HZ1 LYS 588 HZ1 LYS 588 62.125 3.785 5.221 1145 HZ2 LYS 588 HZ2 LYS 588 62.412 5.002 4.070 1146 HZ3 LYS 588 HZ3 LYS 588 61.454 5.328 5.435 1147 H GLU 589 HN GLU 589 66.055 4.492 9.881 1148 HA GLU 589 HA GLU 589 67.904 6.297 11.324 1149 HB2 GLU 589 HB2 GLU 589 66.001 6.938 12.511 1150 HB3 GLU 589 HB1 GLU 589 65.271 5.341 12.426 1151 HG2 GLU 589 HG2 GLU 589 66.759 4.480 14.090 1152 HG3 GLU 589 HG1 GLU 589 67.807 5.900 13.997 1153 H GLN 590 HN GLN 590 69.161 5.243 12.865 1154 HA GLN 590 HA GLN 590 69.125 2.312 13.063 1155 HB2 GLN 590 HB2 GLN 590 70.542 3.150 10.988 1156 HB3 GLN 590 HB1 GLN 590 71.704 3.639 12.203 1157 HG2 GLN 590 HG2 GLN 590 72.505 1.502 12.084 1158 HG3 GLN 590 HG1 GLN 590 71.075 1.041 13.001 1159 HE21 GLN 590 HE21 GLN 590 70.518 -0.943 11.985 1160 HE22 GLN 590 HE22 GLN 590 70.216 -1.100 10.320 1161 H ASN 591 HN ASN 591 70.164 1.704 15.023 1162 HA ASN 591 HA ASN 591 70.691 2.125 17.266 1163 HB2 ASN 591 HB2 ASN 591 72.899 3.685 17.273 1164 HB3 ASN 591 HB1 ASN 591 72.933 2.003 16.779 1165 HD21 ASN 591 HD21 ASN 591 72.265 1.769 14.335 1166 HD22 ASN 591 HD22 ASN 591 73.018 2.851 13.275 1167 H ASP 592 HN ASP 592 68.753 4.052 16.054 1168 HA ASP 592 HA ASP 592 67.495 5.794 17.039 1169 HB2 ASP 592 HB2 ASP 592 69.826 6.606 18.756 1170 HB3 ASP 592 HB1 ASP 592 68.103 6.803 19.057 1171 H LYS 593 HN LYS 593 70.438 6.039 15.456 1172 HA LYS 593 HA LYS 593 70.534 8.956 15.310 1173 HB2 LYS 593 HB2 LYS 593 72.079 6.832 13.846 1174 HB3 LYS 593 HB1 LYS 593 72.459 8.547 13.883 1175 HG2 LYS 593 HG2 LYS 593 72.402 8.147 16.521 1176 HG3 LYS 593 HG1 LYS 593 72.746 6.487 16.046 1177 HD2 LYS 593 HD2 LYS 593 74.719 7.223 14.789 1178 HD3 LYS 593 HD1 LYS 593 74.363 8.905 15.180 1179 HE2 LYS 593 HE2 LYS 593 74.459 8.108 17.663 1180 HE3 LYS 593 HE1 LYS 593 75.302 6.702 17.010 1181 HZ1 LYS 593 HZ1 LYS 593 77.134 7.889 16.676 1182 HZ2 LYS 593 HZ2 LYS 593 76.428 9.104 17.630 1183 HZ3 LYS 593 HZ3 LYS 593 76.289 9.160 15.938 1184 HA PRO 594 HA PRO 594 67.477 8.768 11.881 1185 HB2 PRO 594 HB2 PRO 594 68.623 11.462 11.324 1186 HB3 PRO 594 HB1 PRO 594 66.936 10.981 11.511 1187 HG2 PRO 594 HG2 PRO 594 68.294 12.363 13.419 1188 HG3 PRO 594 HG1 PRO 594 66.999 11.221 13.813 1189 HD2 PRO 594 HD2 PRO 594 69.934 10.927 14.212 1190 HD3 PRO 594 HD1 PRO 594 68.593 10.104 15.045 1191 H TYR 595 HN TYR 595 67.629 8.893 9.480 1192 HA TYR 595 HA TYR 595 70.186 9.264 8.158 1193 HB2 TYR 595 HB2 TYR 595 69.281 6.477 8.870 1194 HB3 TYR 595 HB1 TYR 595 70.204 6.750 7.402 1195 HD1 TYR 595 HD1 TYR 595 70.525 5.818 10.739 1196 HD2 TYR 595 HD2 TYR 595 72.327 8.377 7.807 1197 HE1 TYR 595 HE1 TYR 595 72.672 5.728 11.972 1198 HE2 TYR 595 HE2 TYR 595 74.474 8.290 9.064 1199 HH TYR 595 HH TYR 595 74.906 6.157 11.816 1200 H CYS 596 HN CYS 596 69.808 9.454 5.922 1201 HA CYS 596 HA CYS 596 67.052 9.328 4.960 1202 HB2 CYS 596 HB2 CYS 596 69.489 9.265 3.162 1203 HB3 CYS 596 HB1 CYS 596 67.902 9.945 2.828 1204 H GLN 597 HN GLN 597 66.331 7.651 3.340 1205 HA GLN 597 HA GLN 597 67.155 5.063 4.194 1206 HB2 GLN 597 HB2 GLN 597 65.053 4.984 3.197 1207 HB3 GLN 597 HB1 GLN 597 65.494 6.128 1.965 1208 HG2 GLN 597 HG2 GLN 597 65.330 4.154 0.728 1209 HG3 GLN 597 HG1 GLN 597 67.038 4.177 1.105 1210 HE21 GLN 597 HE21 GLN 597 66.396 3.536 4.011 1211 HE22 GLN 597 HE22 GLN 597 66.045 1.893 4.016 1212 H ASN 598 HN ASN 598 67.887 6.824 1.182 1213 HA ASN 598 HA ASN 598 69.754 5.100 0.058 1214 HB2 ASN 598 HB2 ASN 598 70.427 8.026 0.105 1215 HB3 ASN 598 HB1 ASN 598 70.429 6.901 -1.246 1216 HD21 ASN 598 HD21 ASN 598 67.987 5.887 -1.413 1217 HD22 ASN 598 HD22 ASN 598 66.794 7.081 -1.537 1218 H CYS 599 HN CYS 599 70.123 7.176 2.862 1219 HA CYS 599 HA CYS 599 73.005 6.736 3.069 1220 HB2 CYS 599 HB2 CYS 599 70.929 7.971 4.896 1221 HB3 CYS 599 HB1 CYS 599 72.605 7.772 5.380 1222 H PHE 600 HN PHE 600 70.174 5.807 5.028 1223 HA PHE 600 HA PHE 600 71.474 3.935 6.722 1224 HB2 PHE 600 HB2 PHE 600 69.353 4.613 7.453 1225 HB3 PHE 600 HB1 PHE 600 68.643 4.444 5.857 1226 HD1 PHE 600 HD1 PHE 600 67.989 2.197 5.001 1227 HD2 PHE 600 HD2 PHE 600 69.510 2.764 8.968 1228 HE1 PHE 600 HE1 PHE 600 67.154 -0.048 5.640 1229 HE2 PHE 600 HE2 PHE 600 68.677 0.519 9.613 1230 HZ PHE 600 HZ PHE 600 67.497 -0.887 7.948 1231 H LEU 601 HN LEU 601 69.503 3.299 3.803 1232 HA LEU 601 HA LEU 601 69.806 0.529 3.762 1233 HB2 LEU 601 HB2 LEU 601 68.607 0.749 1.845 1234 HB3 LEU 601 HB1 LEU 601 68.721 2.480 2.083 1235 HG LEU 601 HG LEU 601 70.870 2.438 0.743 1236 HD11 LEU 601 HD11 LEU 601 71.802 0.413 0.329 1237 HD12 LEU 601 HD12 LEU 601 70.490 0.096 -0.797 1238 HD13 LEU 601 HD13 LEU 601 70.362 -0.441 0.875 1239 HD21 LEU 601 HD21 LEU 601 68.404 1.393 -0.672 1240 HD22 LEU 601 HD22 LEU 601 69.700 2.349 -1.391 1241 HD23 LEU 601 HD23 LEU 601 68.639 3.070 -0.181 1242 H LYS 602 HN LYS 602 72.032 2.974 2.437 1243 HA LYS 602 HA LYS 602 73.833 1.129 1.275 1244 HB2 LYS 602 HB2 LYS 602 73.859 3.968 1.972 1245 HB3 LYS 602 HB1 LYS 602 75.444 3.255 2.243 1246 HG2 LYS 602 HG2 LYS 602 74.972 2.220 -0.209 1247 HG3 LYS 602 HG1 LYS 602 73.941 3.641 -0.330 1248 HD2 LYS 602 HD2 LYS 602 75.968 4.495 -1.098 1249 HD3 LYS 602 HD1 LYS 602 76.081 4.883 0.618 1250 HE2 LYS 602 HE2 LYS 602 78.168 3.851 0.177 1251 HE3 LYS 602 HE1 LYS 602 77.206 2.523 0.824 1252 HZ1 LYS 602 HZ1 LYS 602 78.070 3.027 -1.924 1253 HZ2 LYS 602 HZ2 LYS 602 76.570 2.265 -1.692 1254 HZ3 LYS 602 HZ3 LYS 602 77.986 1.567 -1.066 1255 H LEU 603 HN LEU 603 73.243 1.777 4.623 1256 HA LEU 603 HA LEU 603 75.859 0.632 5.426 1257 HB2 LEU 603 HB2 LEU 603 73.705 1.202 7.428 1258 HB3 LEU 603 HB1 LEU 603 75.444 1.467 7.545 1259 HG LEU 603 HG LEU 603 73.487 3.076 5.899 1260 HD11 LEU 603 HD11 LEU 603 73.703 4.780 7.480 1261 HD12 LEU 603 HD12 LEU 603 75.191 4.108 8.139 1262 HD13 LEU 603 HD13 LEU 603 73.646 3.334 8.486 1263 HD21 LEU 603 HD21 LEU 603 75.604 4.573 5.678 1264 HD22 LEU 603 HD22 LEU 603 75.508 3.146 4.658 1265 HD23 LEU 603 HD23 LEU 603 76.499 3.120 6.114 1266 H PHE 604 HN PHE 604 72.425 -0.111 6.130 1267 HA PHE 604 HA PHE 604 73.223 -2.952 6.637 1268 HB2 PHE 604 HB2 PHE 604 71.008 -1.181 7.659 1269 HB3 PHE 604 HB1 PHE 604 70.759 -2.925 7.626 1270 HD1 PHE 604 HD1 PHE 604 72.824 -0.187 9.060 1271 HD2 PHE 604 HD2 PHE 604 71.978 -4.405 9.087 1272 HE1 PHE 604 HE1 PHE 604 74.142 -0.441 11.142 1273 HE2 PHE 604 HE2 PHE 604 73.298 -4.652 11.171 1274 HZ PHE 604 HZ PHE 604 74.379 -2.672 12.198 1275 H CYS 605 HN CYS 605 72.849 -1.829 3.923 1276 HA CYS 605 HA CYS 605 70.440 -2.260 2.644 1277 HB2 CYS 605 HB2 CYS 605 72.286 -1.680 1.255 1278 HB3 CYS 605 HB1 CYS 605 73.234 -3.060 1.802 1279 HG CYS 605 HG CYS 605 71.410 -3.101 -0.554 Start of MODEL 13 1 H MET 1 HT1 MET 1 90.616 -26.462 10.503 2 HA MET 1 HA MET 1 89.433 -28.696 12.003 3 HB2 MET 1 HB2 MET 1 91.923 -28.358 10.294 4 HB3 MET 1 HB1 MET 1 91.371 -29.877 11.003 5 HG2 MET 1 HG2 MET 1 89.231 -29.554 9.785 6 HG3 MET 1 HG1 MET 1 89.977 -28.198 8.957 7 HE1 MET 1 HE1 MET 1 91.101 -28.347 6.861 8 HE2 MET 1 HE2 MET 1 92.357 -29.525 6.492 9 HE3 MET 1 HE3 MET 1 92.506 -28.509 7.924 10 H ALA 2 HN ALA 2 92.633 -28.909 11.846 11 HA ALA 2 HA ALA 2 93.397 -27.403 14.259 12 HB1 ALA 2 HB1 ALA 2 92.250 -29.365 15.237 13 HB2 ALA 2 HB2 ALA 2 93.980 -29.406 15.579 14 HB3 ALA 2 HB3 ALA 2 93.306 -30.435 14.315 15 H LEU 3 HN LEU 3 94.236 -30.083 12.081 16 HA LEU 3 HA LEU 3 97.013 -30.112 12.346 17 HB2 LEU 3 HB2 LEU 3 95.184 -30.498 9.990 18 HB3 LEU 3 HB1 LEU 3 96.929 -30.633 9.791 19 HG LEU 3 HG LEU 3 95.250 -32.249 11.721 20 HD11 LEU 3 HD11 LEU 3 95.883 -34.081 10.102 21 HD12 LEU 3 HD12 LEU 3 96.533 -32.823 9.044 22 HD13 LEU 3 HD13 LEU 3 94.811 -32.850 9.431 23 HD21 LEU 3 HD21 LEU 3 97.591 -33.594 11.526 24 HD22 LEU 3 HD22 LEU 3 97.325 -32.349 12.740 25 HD23 LEU 3 HD23 LEU 3 98.197 -31.957 11.258 26 H ASP 4 HN ASP 4 95.360 -28.608 9.700 27 HA ASP 4 HA ASP 4 95.728 -26.796 8.382 28 HB2 ASP 4 HB2 ASP 4 96.697 -24.727 9.359 29 HB3 ASP 4 HB1 ASP 4 95.378 -25.406 10.280 30 H GLY 5 HN GLY 5 98.545 -27.738 10.179 31 HA2 GLY 5 HA2 GLY 5 100.414 -28.801 8.951 32 HA3 GLY 5 HA1 GLY 5 100.089 -27.671 7.640 33 H ILE 6 HN ILE 6 99.567 -25.705 9.892 34 HA ILE 6 HA ILE 6 102.407 -24.890 10.330 35 HB ILE 6 HB ILE 6 100.861 -22.583 10.623 36 HG12 ILE 6 HG12 ILE 6 98.936 -24.086 9.671 37 HG13 ILE 6 HG11 ILE 6 99.172 -22.503 8.994 38 HG21 ILE 6 HG21 ILE 6 101.662 -22.086 8.259 39 HG22 ILE 6 HG22 ILE 6 102.345 -23.713 8.264 40 HG23 ILE 6 HG23 ILE 6 102.901 -22.518 9.438 41 HD11 ILE 6 HD11 ILE 6 100.658 -24.764 7.726 42 HD12 ILE 6 HD12 ILE 6 99.995 -23.306 6.993 43 HD13 ILE 6 HD13 ILE 6 98.925 -24.635 7.430 44 H ARG 7 HN ARG 7 100.002 -23.053 12.032 45 HA ARG 7 HA ARG 7 100.028 -24.787 14.373 46 HB2 ARG 7 HB2 ARG 7 101.079 -22.955 15.788 47 HB3 ARG 7 HB1 ARG 7 102.152 -23.860 14.741 48 HG2 ARG 7 HG2 ARG 7 100.991 -21.408 13.520 49 HG3 ARG 7 HG1 ARG 7 102.112 -21.137 14.855 50 HD2 ARG 7 HD2 ARG 7 103.788 -22.557 13.694 51 HD3 ARG 7 HD1 ARG 7 102.666 -22.729 12.350 52 HE ARG 7 HE ARG 7 103.163 -20.505 11.695 53 HH11 ARG 7 HH11 ARG 7 104.357 -18.596 11.882 54 HH12 ARG 7 HH12 ARG 7 105.271 -18.299 13.323 55 HH21 ARG 7 HH21 ARG 7 104.341 -21.273 14.845 56 HH22 ARG 7 HH22 ARG 7 105.262 -19.814 15.000 57 H MET 8 HN MET 8 99.839 -21.298 14.811 58 HA MET 8 HA MET 8 96.855 -21.503 14.742 59 HB2 MET 8 HB2 MET 8 97.755 -19.785 16.943 60 HB3 MET 8 HB1 MET 8 96.601 -21.105 16.947 61 HG2 MET 8 HG2 MET 8 98.521 -22.724 16.934 62 HG3 MET 8 HG1 MET 8 99.618 -21.368 17.152 63 HE1 MET 8 HE1 MET 8 98.985 -19.906 20.475 64 HE2 MET 8 HE2 MET 8 97.808 -19.411 19.261 65 HE3 MET 8 HE3 MET 8 99.481 -19.696 18.790 66 HA PRO 9 HA PRO 9 97.877 -16.796 14.201 67 HB2 PRO 9 HB2 PRO 9 100.762 -17.021 13.399 68 HB3 PRO 9 HB1 PRO 9 99.943 -15.720 14.297 69 HG2 PRO 9 HG2 PRO 9 101.443 -17.381 15.622 70 HG3 PRO 9 HG1 PRO 9 99.818 -17.003 16.244 71 HD2 PRO 9 HD2 PRO 9 100.670 -19.426 14.675 72 HD3 PRO 9 HD1 PRO 9 99.771 -19.353 16.192 73 H ASP 10 HN ASP 10 99.635 -19.220 12.396 74 HA ASP 10 HA ASP 10 98.579 -18.148 9.810 75 HB2 ASP 10 HB2 ASP 10 101.116 -18.549 10.176 76 HB3 ASP 10 HB1 ASP 10 100.719 -20.265 10.112 77 H GLY 11 HN GLY 11 98.604 -20.770 12.065 78 HA2 GLY 11 HA2 GLY 11 97.213 -22.629 10.257 79 HA3 GLY 11 HA1 GLY 11 97.616 -22.922 11.947 80 H CYS 12 HN CYS 12 96.386 -19.973 12.114 81 HA CYS 12 HA CYS 12 93.530 -20.524 11.831 82 HB2 CYS 12 HB2 CYS 12 93.828 -21.657 13.929 83 HB3 CYS 12 HB1 CYS 12 94.832 -20.353 14.559 84 HG CYS 12 HG CYS 12 92.796 -18.991 15.064 85 H TYR 13 HN TYR 13 94.413 -18.412 14.417 86 HA TYR 13 HA TYR 13 94.944 -16.058 12.803 87 HB2 TYR 13 HB2 TYR 13 92.170 -16.520 13.927 88 HB3 TYR 13 HB1 TYR 13 92.779 -14.893 13.618 89 HD1 TYR 13 HD1 TYR 13 90.953 -17.531 12.202 90 HD2 TYR 13 HD2 TYR 13 93.993 -14.657 11.211 91 HE1 TYR 13 HE1 TYR 13 90.402 -17.775 9.797 92 HE2 TYR 13 HE2 TYR 13 93.439 -14.904 8.808 93 HH TYR 13 HH TYR 13 91.508 -15.612 7.430 94 H ALA 14 HN ALA 14 92.988 -15.211 15.402 95 HA ALA 14 HA ALA 14 94.727 -15.633 17.627 96 HB1 ALA 14 HB1 ALA 14 96.341 -14.202 16.635 97 HB2 ALA 14 HB2 ALA 14 95.489 -13.174 17.786 98 HB3 ALA 14 HB3 ALA 14 95.108 -13.077 16.066 99 H ASP 15 HN ASP 15 92.407 -13.461 16.083 100 HA ASP 15 HA ASP 15 90.804 -13.527 18.583 101 HB2 ASP 15 HB2 ASP 15 92.260 -11.448 18.571 102 HB3 ASP 15 HB1 ASP 15 91.380 -10.935 17.130 103 H GLY 16 HN GLY 16 90.943 -13.962 15.326 104 HA2 GLY 16 HA2 GLY 16 89.182 -14.415 13.803 105 HA3 GLY 16 HA1 GLY 16 88.050 -13.980 15.068 106 H THR 17 HN THR 17 90.637 -11.906 13.940 107 HA THR 17 HA THR 17 88.807 -10.387 12.288 108 HB THR 17 HB THR 17 87.820 -9.727 14.359 109 HG1 THR 17 HG1 THR 17 87.909 -7.941 13.243 110 HG21 THR 17 HG21 THR 17 90.671 -9.306 15.245 111 HG22 THR 17 HG22 THR 17 89.415 -10.275 16.018 112 HG23 THR 17 HG23 THR 17 89.319 -8.511 16.057 113 H TRP 18 HN TRP 18 89.666 -8.170 12.047 114 HA TRP 18 HA TRP 18 92.524 -7.708 12.203 115 HB2 TRP 18 HB2 TRP 18 92.430 -7.601 9.507 116 HB3 TRP 18 HB1 TRP 18 92.901 -9.055 10.369 117 HD1 TRP 18 HD1 TRP 18 89.882 -7.484 8.591 118 HE1 TRP 18 HE1 TRP 18 88.258 -9.378 7.914 119 HE3 TRP 18 HE3 TRP 18 92.174 -11.468 10.823 120 HZ2 TRP 18 HZ2 TRP 18 87.974 -12.191 8.270 121 HZ3 TRP 18 HZ3 TRP 18 91.199 -13.736 10.639 122 HH2 TRP 18 HH2 TRP 18 89.108 -14.105 9.366 123 H GLU 19 HN GLU 19 92.732 -5.497 12.277 124 HA GLU 19 HA GLU 19 90.403 -3.848 11.565 125 HB2 GLU 19 HB2 GLU 19 92.423 -2.055 12.270 126 HB3 GLU 19 HB1 GLU 19 91.222 -2.715 13.373 127 HG2 GLU 19 HG2 GLU 19 93.521 -3.023 14.222 128 HG3 GLU 19 HG1 GLU 19 92.704 -4.557 13.935 129 H LEU 20 HN LEU 20 90.161 -2.678 9.785 130 HA LEU 20 HA LEU 20 92.196 -2.933 7.686 131 HB2 LEU 20 HB2 LEU 20 89.366 -2.610 7.760 132 HB3 LEU 20 HB1 LEU 20 89.976 -1.132 7.027 133 HG LEU 20 HG LEU 20 89.572 -2.673 5.250 134 HD11 LEU 20 HD11 LEU 20 91.541 -2.453 4.138 135 HD12 LEU 20 HD12 LEU 20 92.500 -3.173 5.425 136 HD13 LEU 20 HD13 LEU 20 91.990 -1.486 5.542 137 HD21 LEU 20 HD21 LEU 20 90.751 -4.656 7.155 138 HD22 LEU 20 HD22 LEU 20 91.044 -4.932 5.444 139 HD23 LEU 20 HD23 LEU 20 89.396 -4.824 6.044 140 H SER 21 HN SER 21 93.609 -1.316 7.149 141 HA SER 21 HA SER 21 93.786 0.968 8.953 142 HB2 SER 21 HB2 SER 21 95.683 -0.395 7.665 143 HB3 SER 21 HB1 SER 21 95.385 0.827 6.432 144 HG SER 21 HG SER 21 95.952 1.324 9.174 145 H VAL 22 HN VAL 22 93.432 3.125 8.426 146 HA VAL 22 HA VAL 22 92.293 3.690 5.740 147 HB VAL 22 HB VAL 22 90.937 4.219 8.382 148 HG11 VAL 22 HG11 VAL 22 90.609 5.656 5.732 149 HG12 VAL 22 HG12 VAL 22 90.844 6.370 7.330 150 HG13 VAL 22 HG13 VAL 22 89.321 5.588 6.930 151 HG21 VAL 22 HG21 VAL 22 89.937 3.194 5.714 152 HG22 VAL 22 HG22 VAL 22 89.060 3.181 7.243 153 HG23 VAL 22 HG23 VAL 22 90.472 2.145 7.032 154 H HIS 23 HN HIS 23 93.538 5.183 4.903 155 HA HIS 23 HA HIS 23 95.005 7.101 6.590 156 HB2 HIS 23 HB2 HIS 23 94.909 6.383 3.664 157 HB3 HIS 23 HB1 HIS 23 95.687 7.883 4.172 158 HD1 HIS 23 HD1 HIS 23 95.772 4.378 5.701 159 HD2 HIS 23 HD2 HIS 23 98.384 7.303 4.285 160 HE1 HIS 23 HE1 HIS 23 98.114 3.513 6.124 161 H VAL 24 HN VAL 24 93.589 8.698 7.377 162 HA VAL 24 HA VAL 24 91.380 9.647 5.767 163 HB VAL 24 HB VAL 24 92.547 11.337 7.973 164 HG11 VAL 24 HG11 VAL 24 90.219 11.746 8.473 165 HG12 VAL 24 HG12 VAL 24 89.710 10.418 7.436 166 HG13 VAL 24 HG13 VAL 24 90.398 11.875 6.721 167 HG21 VAL 24 HG21 VAL 24 91.266 8.611 8.290 168 HG22 VAL 24 HG22 VAL 24 91.301 9.803 9.590 169 HG23 VAL 24 HG23 VAL 24 92.810 9.161 8.943 170 H THR 25 HN THR 25 91.861 10.605 3.858 171 HA THR 25 HA THR 25 94.331 12.093 3.478 172 HB THR 25 HB THR 25 93.373 12.521 1.203 173 HG1 THR 25 HG1 THR 25 91.396 11.506 0.747 174 HG21 THR 25 HG21 THR 25 93.185 10.034 0.608 175 HG22 THR 25 HG22 THR 25 93.404 9.720 2.331 176 HG23 THR 25 HG23 THR 25 94.671 10.539 1.415 177 H ASP 26 HN ASP 26 90.886 12.952 3.792 178 HA ASP 26 HA ASP 26 91.376 15.790 3.405 179 HB2 ASP 26 HB2 ASP 26 89.069 16.081 4.164 180 HB3 ASP 26 HB1 ASP 26 89.144 14.725 3.039 181 H LEU 27 HN LEU 27 92.853 14.138 5.522 182 HA LEU 27 HA LEU 27 92.761 16.183 7.627 183 HB2 LEU 27 HB2 LEU 27 91.559 13.515 7.874 184 HB3 LEU 27 HB1 LEU 27 92.695 13.845 9.166 185 HG LEU 27 HG LEU 27 90.565 15.852 8.409 186 HD11 LEU 27 HD11 LEU 27 90.331 13.429 10.197 187 HD12 LEU 27 HD12 LEU 27 89.267 13.911 8.875 188 HD13 LEU 27 HD13 LEU 27 89.281 14.836 10.377 189 HD21 LEU 27 HD21 LEU 27 91.784 15.305 11.116 190 HD22 LEU 27 HD22 LEU 27 91.000 16.776 10.543 191 HD23 LEU 27 HD23 LEU 27 92.599 16.337 9.943 192 H ASN 28 HN ASN 28 94.121 13.253 6.259 193 HA ASN 28 HA ASN 28 96.392 12.725 5.914 194 HB2 ASN 28 HB2 ASN 28 96.810 15.257 6.369 195 HB3 ASN 28 HB1 ASN 28 97.267 14.738 7.986 196 HD21 ASN 28 HD21 ASN 28 98.168 12.091 6.726 197 HD22 ASN 28 HD22 ASN 28 99.704 12.440 6.105 198 H ARG 29 HN ARG 29 94.478 12.049 8.340 199 HA ARG 29 HA ARG 29 96.522 11.056 10.231 200 HB2 ARG 29 HB2 ARG 29 93.505 10.933 10.308 201 HB3 ARG 29 HB1 ARG 29 94.586 10.402 11.597 202 HG2 ARG 29 HG2 ARG 29 95.459 12.653 11.856 203 HG3 ARG 29 HG1 ARG 29 94.505 13.211 10.488 204 HD2 ARG 29 HD2 ARG 29 93.163 13.845 12.295 205 HD3 ARG 29 HD1 ARG 29 92.470 12.283 11.859 206 HE ARG 29 HE ARG 29 94.116 12.858 14.255 207 HH11 ARG 29 HH11 ARG 29 94.070 11.246 15.822 208 HH12 ARG 29 HH12 ARG 29 93.366 9.708 15.451 209 HH21 ARG 29 HH21 ARG 29 92.534 10.561 12.200 210 HH22 ARG 29 HH22 ARG 29 92.499 9.323 13.409 211 H ASP 30 HN ASP 30 95.714 8.814 11.127 212 HA ASP 30 HA ASP 30 95.050 6.964 8.905 213 HB2 ASP 30 HB2 ASP 30 97.398 6.738 10.801 214 HB3 ASP 30 HB1 ASP 30 96.764 5.372 9.880 215 H VAL 31 HN VAL 31 93.275 5.931 9.556 216 HA VAL 31 HA VAL 31 92.917 5.366 12.485 217 HB VAL 31 HB VAL 31 90.740 5.556 10.392 218 HG11 VAL 31 HG11 VAL 31 89.346 5.869 12.441 219 HG12 VAL 31 HG12 VAL 31 90.786 5.606 13.425 220 HG13 VAL 31 HG13 VAL 31 90.165 4.307 12.408 221 HG21 VAL 31 HG21 VAL 31 91.669 7.692 12.356 222 HG22 VAL 31 HG22 VAL 31 90.326 7.833 11.223 223 HG23 VAL 31 HG23 VAL 31 91.978 7.730 10.622 224 H THR 32 HN THR 32 91.946 3.373 13.036 225 HA THR 32 HA THR 32 91.926 1.271 10.918 226 HB THR 32 HB THR 32 92.840 0.084 13.372 227 HG1 THR 32 HG1 THR 32 94.722 1.304 13.715 228 HG21 THR 32 HG21 THR 32 93.385 -0.451 10.882 229 HG22 THR 32 HG22 THR 32 94.648 -0.688 12.087 230 HG23 THR 32 HG23 THR 32 94.661 0.753 11.072 231 H LEU 33 HN LEU 33 90.124 0.031 11.064 232 HA LEU 33 HA LEU 33 88.414 0.218 13.516 233 HB2 LEU 33 HB2 LEU 33 87.846 0.334 10.581 234 HB3 LEU 33 HB1 LEU 33 86.650 -0.446 11.592 235 HG LEU 33 HG LEU 33 86.357 2.068 11.111 236 HD11 LEU 33 HD11 LEU 33 85.388 2.469 13.272 237 HD12 LEU 33 HD12 LEU 33 86.413 1.246 14.020 238 HD13 LEU 33 HD13 LEU 33 85.158 0.767 12.878 239 HD21 LEU 33 HD21 LEU 33 88.823 2.537 11.669 240 HD22 LEU 33 HD22 LEU 33 88.344 2.412 13.362 241 HD23 LEU 33 HD23 LEU 33 87.627 3.637 12.342 242 H ARG 34 HN ARG 34 88.476 -1.712 14.570 243 HA ARG 34 HA ARG 34 89.367 -4.131 13.426 244 HB2 ARG 34 HB2 ARG 34 89.405 -3.746 15.838 245 HB3 ARG 34 HB1 ARG 34 87.642 -3.783 15.857 246 HG2 ARG 34 HG2 ARG 34 89.240 -6.050 14.635 247 HG3 ARG 34 HG1 ARG 34 88.934 -5.993 16.334 248 HD2 ARG 34 HD2 ARG 34 86.417 -5.535 15.324 249 HD3 ARG 34 HD1 ARG 34 87.082 -6.654 14.176 250 HE ARG 34 HE ARG 34 87.057 -8.331 15.839 251 HH11 ARG 34 HH11 ARG 34 86.514 -9.079 17.899 252 HH12 ARG 34 HH12 ARG 34 86.132 -7.940 19.147 253 HH21 ARG 34 HH21 ARG 34 86.598 -5.163 17.123 254 HH22 ARG 34 HH22 ARG 34 86.180 -5.723 18.708 255 H VAL 35 HN VAL 35 88.381 -5.620 12.341 256 HA VAL 35 HA VAL 35 85.465 -5.863 12.258 257 HB VAL 35 HB VAL 35 85.426 -5.527 9.742 258 HG11 VAL 35 HG11 VAL 35 85.035 -3.194 9.896 259 HG12 VAL 35 HG12 VAL 35 86.249 -2.984 11.154 260 HG13 VAL 35 HG13 VAL 35 84.720 -3.785 11.524 261 HG21 VAL 35 HG21 VAL 35 88.122 -4.273 10.322 262 HG22 VAL 35 HG22 VAL 35 87.248 -4.130 8.799 263 HG23 VAL 35 HG23 VAL 35 87.828 -5.706 9.338 264 H THR 36 HN THR 36 85.110 -7.313 10.042 265 HA THR 36 HA THR 36 87.198 -9.410 9.914 266 HB THR 36 HB THR 36 85.091 -11.043 10.015 267 HG1 THR 36 HG1 THR 36 84.304 -8.983 11.778 268 HG21 THR 36 HG21 THR 36 85.418 -11.115 12.561 269 HG22 THR 36 HG22 THR 36 86.560 -9.791 12.327 270 HG23 THR 36 HG23 THR 36 86.846 -11.354 11.555 271 H GLY 37 HN GLY 37 86.498 -10.968 8.060 272 HA2 GLY 37 HA2 GLY 37 85.831 -9.294 5.790 273 HA3 GLY 37 HA1 GLY 37 86.212 -11.008 5.719 274 H GLU 38 HN GLU 38 83.750 -9.274 7.573 275 HA GLU 38 HA GLU 38 81.599 -10.539 5.971 276 HB2 GLU 38 HB2 GLU 38 80.524 -11.488 7.891 277 HB3 GLU 38 HB1 GLU 38 82.193 -12.042 7.916 278 HG2 GLU 38 HG2 GLU 38 82.051 -11.327 10.117 279 HG3 GLU 38 HG1 GLU 38 82.505 -9.795 9.372 280 H VAL 39 HN VAL 39 82.899 -7.811 7.276 281 HA VAL 39 HA VAL 39 80.364 -6.626 8.205 282 HB VAL 39 HB VAL 39 81.628 -4.798 8.953 283 HG11 VAL 39 HG11 VAL 39 83.631 -7.025 9.143 284 HG12 VAL 39 HG12 VAL 39 82.095 -7.087 10.003 285 HG13 VAL 39 HG13 VAL 39 83.243 -5.798 10.348 286 HG21 VAL 39 HG21 VAL 39 82.859 -4.158 6.992 287 HG22 VAL 39 HG22 VAL 39 83.739 -5.692 6.981 288 HG23 VAL 39 HG23 VAL 39 84.054 -4.502 8.237 289 H HIS 40 HN HIS 40 79.136 -5.239 6.998 290 HA HIS 40 HA HIS 40 79.677 -5.070 4.147 291 HB2 HIS 40 HB2 HIS 40 77.672 -3.222 5.393 292 HB3 HIS 40 HB1 HIS 40 77.530 -4.235 3.956 293 HD1 HIS 40 HD1 HIS 40 77.362 -4.428 7.727 294 HD2 HIS 40 HD2 HIS 40 76.472 -6.794 4.412 295 HE1 HIS 40 HE1 HIS 40 76.090 -6.436 8.602 296 H ILE 41 HN ILE 41 80.467 -3.262 2.999 297 HA ILE 41 HA ILE 41 82.400 -1.604 4.143 298 HB ILE 41 HB ILE 41 80.546 -0.959 1.831 299 HG12 ILE 41 HG12 ILE 41 83.389 -1.999 1.766 300 HG13 ILE 41 HG11 ILE 41 81.979 -3.060 1.722 301 HG21 ILE 41 HG21 ILE 41 81.560 1.094 2.506 302 HG22 ILE 41 HG22 ILE 41 82.517 0.507 1.145 303 HG23 ILE 41 HG23 ILE 41 83.115 0.313 2.795 304 HD11 ILE 41 HD11 ILE 41 83.041 -2.238 -0.536 305 HD12 ILE 41 HD12 ILE 41 82.149 -0.755 -0.202 306 HD13 ILE 41 HD13 ILE 41 81.287 -2.285 -0.363 307 H GLY 42 HN GLY 42 79.043 -0.664 3.429 308 HA2 GLY 42 HA2 GLY 42 79.092 1.868 4.671 309 HA3 GLY 42 HA1 GLY 42 77.639 0.894 4.479 310 H GLY 43 HN GLY 43 79.515 -1.158 6.012 311 HA2 GLY 43 HA2 GLY 43 78.295 -0.671 8.616 312 HA3 GLY 43 HA1 GLY 43 79.437 -1.963 8.223 313 H VAL 44 HN VAL 44 81.297 -0.055 7.014 314 HA VAL 44 HA VAL 44 82.735 0.741 9.451 315 HB VAL 44 HB VAL 44 83.337 0.436 6.527 316 HG11 VAL 44 HG11 VAL 44 84.766 2.396 8.338 317 HG12 VAL 44 HG12 VAL 44 84.107 2.698 6.732 318 HG13 VAL 44 HG13 VAL 44 85.542 1.690 6.920 319 HG21 VAL 44 HG21 VAL 44 83.884 -1.199 8.420 320 HG22 VAL 44 HG22 VAL 44 85.117 -0.038 8.926 321 HG23 VAL 44 HG23 VAL 44 85.209 -0.787 7.330 322 H MET 45 HN MET 45 81.161 2.291 6.643 323 HA MET 45 HA MET 45 81.821 4.980 7.068 324 HB2 MET 45 HB2 MET 45 79.214 3.681 6.244 325 HB3 MET 45 HB1 MET 45 79.365 5.431 6.334 326 HG2 MET 45 HG2 MET 45 81.492 5.033 4.814 327 HG3 MET 45 HG1 MET 45 80.685 3.517 4.429 328 HE1 MET 45 HE1 MET 45 78.560 3.293 2.917 329 HE2 MET 45 HE2 MET 45 77.313 4.545 2.903 330 HE3 MET 45 HE3 MET 45 77.818 3.829 4.433 331 H LEU 46 HN LEU 46 79.597 2.915 8.830 332 HA LEU 46 HA LEU 46 78.511 5.028 10.493 333 HB2 LEU 46 HB2 LEU 46 77.590 2.614 9.970 334 HB3 LEU 46 HB1 LEU 46 78.601 2.132 11.327 335 HG LEU 46 HG LEU 46 77.387 4.266 12.480 336 HD11 LEU 46 HD11 LEU 46 76.008 4.880 10.588 337 HD12 LEU 46 HD12 LEU 46 74.960 4.203 11.833 338 HD13 LEU 46 HD13 LEU 46 75.399 3.227 10.430 339 HD21 LEU 46 HD21 LEU 46 75.818 2.692 13.520 340 HD22 LEU 46 HD22 LEU 46 77.405 1.942 13.341 341 HD23 LEU 46 HD23 LEU 46 76.102 1.527 12.225 342 H LYS 47 HN LYS 47 80.571 2.257 11.444 343 HA LYS 47 HA LYS 47 81.321 3.169 13.967 344 HB2 LYS 47 HB2 LYS 47 83.200 1.748 12.065 345 HB3 LYS 47 HB1 LYS 47 83.242 1.712 13.828 346 HG2 LYS 47 HG2 LYS 47 81.105 0.551 13.901 347 HG3 LYS 47 HG1 LYS 47 80.941 0.685 12.151 348 HD2 LYS 47 HD2 LYS 47 83.080 -0.624 11.920 349 HD3 LYS 47 HD1 LYS 47 83.042 -0.887 13.664 350 HE2 LYS 47 HE2 LYS 47 80.712 -1.620 11.880 351 HE3 LYS 47 HE1 LYS 47 82.029 -2.744 12.216 352 HZ1 LYS 47 HZ1 LYS 47 81.072 -3.226 14.135 353 HZ2 LYS 47 HZ2 LYS 47 79.817 -2.124 13.822 354 HZ3 LYS 47 HZ3 LYS 47 81.218 -1.613 14.637 355 H LEU 48 HN LEU 48 83.354 3.621 11.033 356 HA LEU 48 HA LEU 48 85.301 5.250 12.133 357 HB2 LEU 48 HB2 LEU 48 84.361 4.656 9.488 358 HB3 LEU 48 HB1 LEU 48 84.569 6.401 9.561 359 HG LEU 48 HG LEU 48 86.697 4.457 10.474 360 HD11 LEU 48 HD11 LEU 48 86.143 4.209 8.039 361 HD12 LEU 48 HD12 LEU 48 87.791 4.722 8.391 362 HD13 LEU 48 HD13 LEU 48 86.601 5.899 7.837 363 HD21 LEU 48 HD21 LEU 48 86.929 7.332 9.585 364 HD22 LEU 48 HD22 LEU 48 88.151 6.353 10.396 365 HD23 LEU 48 HD23 LEU 48 86.712 6.869 11.273 366 H VAL 49 HN VAL 49 82.265 6.471 10.687 367 HA VAL 49 HA VAL 49 82.611 9.180 11.421 368 HB VAL 49 HB VAL 49 80.075 7.553 11.162 369 HG11 VAL 49 HG11 VAL 49 79.450 9.467 12.417 370 HG12 VAL 49 HG12 VAL 49 79.083 9.891 10.745 371 HG13 VAL 49 HG13 VAL 49 80.544 10.513 11.514 372 HG21 VAL 49 HG21 VAL 49 81.241 9.562 9.227 373 HG22 VAL 49 HG22 VAL 49 80.015 8.333 8.915 374 HG23 VAL 49 HG23 VAL 49 81.694 7.858 9.174 375 H GLU 50 HN GLU 50 80.944 6.575 13.251 376 HA GLU 50 HA GLU 50 80.073 8.015 15.467 377 HB2 GLU 50 HB2 GLU 50 81.355 5.270 15.396 378 HB3 GLU 50 HB1 GLU 50 80.580 5.937 16.825 379 HG2 GLU 50 HG2 GLU 50 79.142 5.749 14.175 380 HG3 GLU 50 HG1 GLU 50 79.140 4.423 15.334 381 H LYS 51 HN LYS 51 83.360 6.853 14.822 382 HA LYS 51 HA LYS 51 84.413 7.831 17.338 383 HB2 LYS 51 HB2 LYS 51 85.873 7.076 14.798 384 HB3 LYS 51 HB1 LYS 51 86.570 7.202 16.413 385 HG2 LYS 51 HG2 LYS 51 85.107 5.403 17.212 386 HG3 LYS 51 HG1 LYS 51 84.355 5.291 15.620 387 HD2 LYS 51 HD2 LYS 51 86.323 4.455 14.616 388 HD3 LYS 51 HD1 LYS 51 87.332 4.970 15.965 389 HE2 LYS 51 HE2 LYS 51 86.159 3.322 17.428 390 HE3 LYS 51 HE1 LYS 51 85.254 2.763 16.022 391 HZ1 LYS 51 HZ1 LYS 51 88.164 2.576 16.521 392 HZ2 LYS 51 HZ2 LYS 51 87.506 2.391 14.965 393 HZ3 LYS 51 HZ3 LYS 51 87.068 1.320 16.209 394 H LEU 52 HN LEU 52 84.298 9.119 14.009 395 HA LEU 52 HA LEU 52 86.078 11.255 14.397 396 HB2 LEU 52 HB2 LEU 52 84.453 10.267 12.355 397 HB3 LEU 52 HB1 LEU 52 83.759 11.844 12.667 398 HG LEU 52 HG LEU 52 85.370 12.243 11.018 399 HD11 LEU 52 HD11 LEU 52 87.316 12.806 13.188 400 HD12 LEU 52 HD12 LEU 52 85.706 13.469 13.436 401 HD13 LEU 52 HD13 LEU 52 86.614 13.889 11.989 402 HD21 LEU 52 HD21 LEU 52 87.290 10.484 12.571 403 HD22 LEU 52 HD22 LEU 52 87.652 11.301 11.052 404 HD23 LEU 52 HD23 LEU 52 86.435 10.027 11.098 405 H ASP 53 HN ASP 53 82.531 11.464 14.368 406 HA ASP 53 HA ASP 53 81.047 12.732 15.625 407 HB2 ASP 53 HB2 ASP 53 82.611 11.763 17.440 408 HB3 ASP 53 HB1 ASP 53 83.291 13.378 17.513 409 H VAL 54 HN VAL 54 81.171 14.174 13.800 410 HA VAL 54 HA VAL 54 81.727 16.883 14.607 411 HB VAL 54 HB VAL 54 84.015 16.287 14.216 412 HG11 VAL 54 HG11 VAL 54 83.038 15.200 11.565 413 HG12 VAL 54 HG12 VAL 54 83.586 14.243 12.942 414 HG13 VAL 54 HG13 VAL 54 84.725 15.276 12.074 415 HG21 VAL 54 HG21 VAL 54 84.619 17.847 12.478 416 HG22 VAL 54 HG22 VAL 54 83.152 18.469 13.231 417 HG23 VAL 54 HG23 VAL 54 83.063 17.646 11.675 418 H LYS 55 HN LYS 55 80.759 18.373 13.202 419 HA LYS 55 HA LYS 55 78.757 17.313 11.431 420 HB2 LYS 55 HB2 LYS 55 79.256 19.756 12.711 421 HB3 LYS 55 HB1 LYS 55 79.434 20.154 11.012 422 HG2 LYS 55 HG2 LYS 55 77.013 18.550 11.800 423 HG3 LYS 55 HG1 LYS 55 77.049 20.238 12.243 424 HD2 LYS 55 HD2 LYS 55 77.517 20.848 9.881 425 HD3 LYS 55 HD1 LYS 55 77.390 19.147 9.439 426 HE2 LYS 55 HE2 LYS 55 75.229 19.978 9.002 427 HE3 LYS 55 HE1 LYS 55 75.061 19.253 10.601 428 HZ1 LYS 55 HZ1 LYS 55 75.965 21.954 10.742 429 HZ2 LYS 55 HZ2 LYS 55 74.633 21.219 11.499 430 HZ3 LYS 55 HZ3 LYS 55 74.484 21.838 9.924 431 H LYS 56 HN LYS 56 81.446 16.463 10.716 432 HA LYS 56 HA LYS 56 82.262 17.972 8.359 433 HB2 LYS 56 HB2 LYS 56 83.867 16.638 9.727 434 HB3 LYS 56 HB1 LYS 56 83.032 15.169 9.231 435 HG2 LYS 56 HG2 LYS 56 83.636 15.480 6.941 436 HG3 LYS 56 HG1 LYS 56 84.192 17.126 7.236 437 HD2 LYS 56 HD2 LYS 56 85.489 14.867 8.753 438 HD3 LYS 56 HD1 LYS 56 85.938 15.126 7.070 439 HE2 LYS 56 HE2 LYS 56 86.071 17.222 9.262 440 HE3 LYS 56 HE1 LYS 56 87.449 16.357 8.583 441 HZ1 LYS 56 HZ1 LYS 56 87.354 18.376 7.435 442 HZ2 LYS 56 HZ2 LYS 56 85.668 18.302 7.242 443 HZ3 LYS 56 HZ3 LYS 56 86.674 17.249 6.366 444 H ASP 57 HN ASP 57 82.245 16.954 6.172 445 HA ASP 57 HA ASP 57 79.620 15.863 5.587 446 HB2 ASP 57 HB2 ASP 57 81.981 16.120 3.708 447 HB3 ASP 57 HB1 ASP 57 80.274 16.045 3.282 448 H TRP 58 HN TRP 58 79.612 13.819 6.633 449 HA TRP 58 HA TRP 58 81.686 11.850 6.195 450 HB2 TRP 58 HB2 TRP 58 78.816 11.394 6.990 451 HB3 TRP 58 HB1 TRP 58 80.159 10.305 7.264 452 HD1 TRP 58 HD1 TRP 58 82.228 12.453 8.428 453 HE1 TRP 58 HE1 TRP 58 81.820 13.388 10.806 454 HE3 TRP 58 HE3 TRP 58 77.239 11.493 8.917 455 HZ2 TRP 58 HZ2 TRP 58 79.659 13.678 12.663 456 HZ3 TRP 58 HZ3 TRP 58 76.033 12.108 10.989 457 HH2 TRP 58 HH2 TRP 58 77.235 13.202 12.861 458 H SER 59 HN SER 59 78.299 12.028 5.109 459 HA SER 59 HA SER 59 78.123 9.910 3.370 460 HB2 SER 59 HB2 SER 59 76.322 11.555 3.821 461 HB3 SER 59 HB1 SER 59 77.129 12.705 2.764 462 HG SER 59 HG SER 59 76.939 11.095 1.099 463 H ASP 60 HN ASP 60 79.212 13.161 2.331 464 HA ASP 60 HA ASP 60 79.995 12.433 -0.280 465 HB2 ASP 60 HB2 ASP 60 79.975 14.763 0.337 466 HB3 ASP 60 HB1 ASP 60 81.122 14.483 1.648 467 H HIS 61 HN HIS 61 81.815 12.383 2.753 468 HA HIS 61 HA HIS 61 84.195 11.221 1.599 469 HB2 HIS 61 HB2 HIS 61 83.237 11.378 4.468 470 HB3 HIS 61 HB1 HIS 61 84.856 10.922 3.962 471 HD1 HIS 61 HD1 HIS 61 84.322 13.469 5.702 472 HD2 HIS 61 HD2 HIS 61 84.719 13.491 1.554 473 HE1 HIS 61 HE1 HIS 61 84.987 15.826 5.054 474 H ALA 62 HN ALA 62 84.409 9.184 0.973 475 HA ALA 62 HA ALA 62 82.952 7.019 2.439 476 HB1 ALA 62 HB1 ALA 62 81.906 7.729 0.178 477 HB2 ALA 62 HB2 ALA 62 82.240 6.012 0.414 478 HB3 ALA 62 HB3 ALA 62 83.332 6.999 -0.560 479 H LEU 63 HN LEU 63 84.017 4.796 1.563 480 HA LEU 63 HA LEU 63 86.948 5.223 1.881 481 HB2 LEU 63 HB2 LEU 63 85.447 2.597 1.860 482 HB3 LEU 63 HB1 LEU 63 87.097 2.878 2.391 483 HG LEU 63 HG LEU 63 85.735 2.722 4.339 484 HD11 LEU 63 HD11 LEU 63 86.349 4.704 5.444 485 HD12 LEU 63 HD12 LEU 63 86.093 5.691 4.007 486 HD13 LEU 63 HD13 LEU 63 87.485 4.611 4.099 487 HD21 LEU 63 HD21 LEU 63 83.639 3.614 4.624 488 HD22 LEU 63 HD22 LEU 63 83.624 3.598 2.865 489 HD23 LEU 63 HD23 LEU 63 84.012 5.084 3.730 490 H TRP 64 HN TRP 64 88.431 4.671 0.374 491 HA TRP 64 HA TRP 64 87.451 3.578 -2.256 492 HB2 TRP 64 HB2 TRP 64 88.031 5.548 -3.248 493 HB3 TRP 64 HB1 TRP 64 88.382 6.208 -1.675 494 HD1 TRP 64 HD1 TRP 64 91.084 5.035 -0.886 495 HE1 TRP 64 HE1 TRP 64 93.209 5.441 -2.272 496 HE3 TRP 64 HE3 TRP 64 88.985 6.315 -5.362 497 HZ2 TRP 64 HZ2 TRP 64 93.934 6.250 -4.916 498 HZ3 TRP 64 HZ3 TRP 64 90.418 6.923 -7.289 499 HH2 TRP 64 HH2 TRP 64 92.888 6.894 -7.072 500 H TRP 65 HN TRP 65 89.024 2.266 -3.376 501 HA TRP 65 HA TRP 65 91.175 1.220 -1.568 502 HB2 TRP 65 HB2 TRP 65 89.298 -0.325 -2.410 503 HB3 TRP 65 HB1 TRP 65 90.056 -0.193 -3.992 504 HD1 TRP 65 HD1 TRP 65 92.956 -0.020 -1.966 505 HE1 TRP 65 HE1 TRP 65 94.012 -2.312 -1.514 506 HE3 TRP 65 HE3 TRP 65 89.053 -3.064 -3.248 507 HZ2 TRP 65 HZ2 TRP 65 93.315 -5.079 -1.677 508 HZ3 TRP 65 HZ3 TRP 65 89.287 -5.524 -3.093 509 HH2 TRP 65 HH2 TRP 65 91.409 -6.535 -2.310 510 H GLU 66 HN GLU 66 92.849 2.665 -2.185 511 HA GLU 66 HA GLU 66 93.429 3.534 -4.800 512 HB2 GLU 66 HB2 GLU 66 95.799 3.786 -3.965 513 HB3 GLU 66 HB1 GLU 66 94.562 4.552 -2.977 514 HG2 GLU 66 HG2 GLU 66 94.538 2.568 -1.492 515 HG3 GLU 66 HG1 GLU 66 95.815 1.854 -2.468 516 H LYS 67 HN LYS 67 93.991 0.374 -3.399 517 HA LYS 67 HA LYS 67 96.028 -0.392 -5.319 518 HB2 LYS 67 HB2 LYS 67 94.030 -2.254 -4.008 519 HB3 LYS 67 HB1 LYS 67 95.620 -2.670 -4.637 520 HG2 LYS 67 HG2 LYS 67 95.082 -0.860 -2.268 521 HG3 LYS 67 HG1 LYS 67 95.651 -2.523 -2.181 522 HD2 LYS 67 HD2 LYS 67 97.604 -1.739 -3.667 523 HD3 LYS 67 HD1 LYS 67 97.093 -0.103 -3.251 524 HE2 LYS 67 HE2 LYS 67 98.638 -0.526 -1.553 525 HE3 LYS 67 HE1 LYS 67 97.137 -1.039 -0.775 526 HZ1 LYS 67 HZ1 LYS 67 97.719 -3.305 -1.844 527 HZ2 LYS 67 HZ2 LYS 67 98.513 -2.827 -0.420 528 HZ3 LYS 67 HZ3 LYS 67 99.295 -2.682 -1.921 529 H LYS 68 HN LYS 68 92.819 0.405 -5.472 530 HA LYS 68 HA LYS 68 92.463 -0.842 -8.155 531 HB2 LYS 68 HB2 LYS 68 90.107 -0.432 -6.324 532 HB3 LYS 68 HB1 LYS 68 90.301 -1.576 -7.649 533 HG2 LYS 68 HG2 LYS 68 91.919 -1.804 -5.089 534 HG3 LYS 68 HG1 LYS 68 90.340 -2.533 -5.275 535 HD2 LYS 68 HD2 LYS 68 91.050 -3.946 -7.036 536 HD3 LYS 68 HD1 LYS 68 92.522 -3.010 -7.292 537 HE2 LYS 68 HE2 LYS 68 93.607 -3.971 -5.489 538 HE3 LYS 68 HE1 LYS 68 92.120 -4.243 -4.585 539 HZ1 LYS 68 HZ1 LYS 68 92.841 -6.342 -5.305 540 HZ2 LYS 68 HZ2 LYS 68 93.177 -5.794 -6.877 541 HZ3 LYS 68 HZ3 LYS 68 91.568 -5.933 -6.349 542 H ARG 69 HN ARG 69 92.419 1.942 -6.173 543 HA ARG 69 HA ARG 69 91.677 4.137 -6.556 544 HB2 ARG 69 HB2 ARG 69 92.064 3.147 -9.404 545 HB3 ARG 69 HB1 ARG 69 91.596 4.797 -9.030 546 HG2 ARG 69 HG2 ARG 69 93.912 5.024 -9.164 547 HG3 ARG 69 HG1 ARG 69 93.711 4.738 -7.438 548 HD2 ARG 69 HD2 ARG 69 95.476 3.292 -8.205 549 HD3 ARG 69 HD1 ARG 69 94.063 2.288 -7.897 550 HE ARG 69 HE ARG 69 93.916 1.844 -10.216 551 HH11 ARG 69 HH11 ARG 69 94.703 1.988 -12.327 552 HH12 ARG 69 HH12 ARG 69 95.900 3.181 -12.712 553 HH21 ARG 69 HH21 ARG 69 96.046 4.460 -9.493 554 HH22 ARG 69 HH22 ARG 69 96.659 4.579 -11.109 555 H THR 70 HN THR 70 89.718 2.334 -5.892 556 HA THR 70 HA THR 70 87.439 2.948 -7.751 557 HB THR 70 HB THR 70 88.136 0.533 -7.187 558 HG1 THR 70 HG1 THR 70 86.005 1.403 -7.923 559 HG21 THR 70 HG21 THR 70 88.312 1.203 -4.668 560 HG22 THR 70 HG22 THR 70 87.665 -0.380 -5.094 561 HG23 THR 70 HG23 THR 70 86.569 0.934 -4.663 562 H TRP 71 HN TRP 71 85.351 2.615 -6.196 563 HA TRP 71 HA TRP 71 85.683 4.345 -3.791 564 HB2 TRP 71 HB2 TRP 71 83.261 5.139 -4.447 565 HB3 TRP 71 HB1 TRP 71 84.654 5.911 -5.181 566 HD1 TRP 71 HD1 TRP 71 83.672 2.445 -6.425 567 HE1 TRP 71 HE1 TRP 71 82.705 2.652 -8.764 568 HE3 TRP 71 HE3 TRP 71 83.367 7.529 -6.814 569 HZ2 TRP 71 HZ2 TRP 71 81.918 4.681 -10.620 570 HZ3 TRP 71 HZ3 TRP 71 82.508 8.569 -8.893 571 HH2 TRP 71 HH2 TRP 71 81.784 7.153 -10.796 572 H LEU 72 HN LEU 72 85.515 2.720 -2.346 573 HA LEU 72 HA LEU 72 83.973 0.389 -2.681 574 HB2 LEU 72 HB2 LEU 72 84.801 1.732 -0.117 575 HB3 LEU 72 HB1 LEU 72 84.328 0.046 -0.275 576 HG LEU 72 HG LEU 72 86.580 1.272 -1.872 577 HD11 LEU 72 HD11 LEU 72 86.810 -0.276 0.711 578 HD12 LEU 72 HD12 LEU 72 87.039 1.465 0.552 579 HD13 LEU 72 HD13 LEU 72 88.142 0.355 -0.261 580 HD21 LEU 72 HD21 LEU 72 87.253 -1.269 -1.797 581 HD22 LEU 72 HD22 LEU 72 86.013 -0.729 -2.926 582 HD23 LEU 72 HD23 LEU 72 85.550 -1.517 -1.416 583 H LEU 73 HN LEU 73 82.020 1.082 -3.483 584 HA LEU 73 HA LEU 73 80.042 2.040 -1.446 585 HB2 LEU 73 HB2 LEU 73 78.719 2.940 -3.373 586 HB3 LEU 73 HB1 LEU 73 80.268 3.749 -3.171 587 HG LEU 73 HG LEU 73 81.039 1.802 -4.912 588 HD11 LEU 73 HD11 LEU 73 78.857 0.773 -5.197 589 HD12 LEU 73 HD12 LEU 73 79.267 1.634 -6.676 590 HD13 LEU 73 HD13 LEU 73 78.120 2.337 -5.537 591 HD21 LEU 73 HD21 LEU 73 79.624 4.345 -5.769 592 HD22 LEU 73 HD22 LEU 73 80.834 3.458 -6.695 593 HD23 LEU 73 HD23 LEU 73 81.288 4.268 -5.201 594 H LYS 74 HN LYS 74 81.191 -0.599 -2.756 595 HA LYS 74 HA LYS 74 78.740 -1.822 -3.805 596 HB2 LYS 74 HB2 LYS 74 81.560 -2.352 -3.946 597 HB3 LYS 74 HB1 LYS 74 80.811 -3.760 -3.248 598 HG2 LYS 74 HG2 LYS 74 80.902 -3.995 -5.683 599 HG3 LYS 74 HG1 LYS 74 79.236 -3.918 -5.132 600 HD2 LYS 74 HD2 LYS 74 79.896 -2.548 -7.230 601 HD3 LYS 74 HD1 LYS 74 78.922 -1.747 -6.014 602 HE2 LYS 74 HE2 LYS 74 80.797 -0.528 -5.179 603 HE3 LYS 74 HE1 LYS 74 81.932 -1.560 -6.040 604 HZ1 LYS 74 HZ1 LYS 74 81.371 0.715 -7.024 605 HZ2 LYS 74 HZ2 LYS 74 79.907 -0.003 -7.504 606 HZ3 LYS 74 HZ3 LYS 74 81.385 -0.626 -8.064 607 H THR 75 HN THR 75 78.667 -0.838 -1.057 608 HA THR 75 HA THR 75 79.019 -2.763 0.940 609 HB THR 75 HB THR 75 76.588 -0.967 0.715 610 HG1 THR 75 HG1 THR 75 78.412 0.163 2.171 611 HG21 THR 75 HG21 THR 75 78.110 -2.182 3.029 612 HG22 THR 75 HG22 THR 75 76.438 -2.498 2.572 613 HG23 THR 75 HG23 THR 75 76.893 -0.922 3.217 614 H HIS 76 HN HIS 76 77.087 -3.045 -1.825 615 HA HIS 76 HA HIS 76 74.844 -4.518 -0.951 616 HB2 HIS 76 HB2 HIS 76 76.497 -4.708 -3.478 617 HB3 HIS 76 HB1 HIS 76 75.023 -5.645 -3.236 618 HD1 HIS 76 HD1 HIS 76 75.880 -1.981 -2.542 619 HD2 HIS 76 HD2 HIS 76 72.991 -4.272 -4.488 620 HE1 HIS 76 HE1 HIS 76 74.166 -0.353 -3.451 621 H TRP 77 HN TRP 77 78.168 -5.358 -0.779 622 HA TRP 77 HA TRP 77 77.407 -8.114 0.085 623 HB2 TRP 77 HB2 TRP 77 79.409 -7.358 -2.026 624 HB3 TRP 77 HB1 TRP 77 79.647 -8.817 -1.079 625 HD1 TRP 77 HD1 TRP 77 77.459 -10.521 -1.034 626 HE1 TRP 77 HE1 TRP 77 75.943 -11.178 -2.999 627 HE3 TRP 77 HE3 TRP 77 78.423 -6.656 -4.227 628 HZ2 TRP 77 HZ2 TRP 77 75.221 -10.203 -5.593 629 HZ3 TRP 77 HZ3 TRP 77 77.308 -6.544 -6.438 630 HH2 TRP 77 HH2 TRP 77 75.709 -8.312 -7.125 631 H THR 78 HN THR 78 80.760 -8.019 -0.012 632 HA THR 78 HA THR 78 81.033 -6.461 2.494 633 HB THR 78 HB THR 78 82.163 -9.123 2.942 634 HG1 THR 78 HG1 THR 78 80.485 -10.365 2.590 635 HG21 THR 78 HG21 THR 78 81.710 -7.934 4.892 636 HG22 THR 78 HG22 THR 78 80.331 -9.030 4.806 637 HG23 THR 78 HG23 THR 78 80.142 -7.353 4.319 638 H LEU 79 HN LEU 79 83.422 -7.479 3.351 639 HA LEU 79 HA LEU 79 85.344 -6.278 1.532 640 HB2 LEU 79 HB2 LEU 79 85.586 -7.935 4.042 641 HB3 LEU 79 HB1 LEU 79 86.993 -7.329 3.193 642 HG LEU 79 HG LEU 79 86.350 -5.042 3.612 643 HD11 LEU 79 HD11 LEU 79 83.971 -5.102 3.314 644 HD12 LEU 79 HD12 LEU 79 84.247 -4.613 4.984 645 HD13 LEU 79 HD13 LEU 79 83.784 -6.273 4.620 646 HD21 LEU 79 HD21 LEU 79 85.997 -6.839 6.033 647 HD22 LEU 79 HD22 LEU 79 86.146 -5.084 6.147 648 HD23 LEU 79 HD23 LEU 79 87.476 -6.042 5.493 649 H ASP 80 HN ASP 80 84.867 -9.518 2.851 650 HA ASP 80 HA ASP 80 86.646 -11.067 1.442 651 HB2 ASP 80 HB2 ASP 80 84.933 -11.816 3.122 652 HB3 ASP 80 HB1 ASP 80 83.737 -11.783 1.829 653 H LYS 81 HN LYS 81 83.409 -10.122 0.284 654 HA LYS 81 HA LYS 81 83.597 -11.463 -2.171 655 HB2 LYS 81 HB2 LYS 81 81.448 -10.788 -2.171 656 HB3 LYS 81 HB1 LYS 81 81.801 -9.626 -0.906 657 HG2 LYS 81 HG2 LYS 81 82.477 -8.966 -3.772 658 HG3 LYS 81 HG1 LYS 81 80.834 -8.797 -3.198 659 HD2 LYS 81 HD2 LYS 81 81.641 -7.374 -1.368 660 HD3 LYS 81 HD1 LYS 81 83.258 -7.475 -1.991 661 HE2 LYS 81 HE2 LYS 81 82.203 -6.620 -4.223 662 HE3 LYS 81 HE1 LYS 81 80.890 -6.090 -3.176 663 HZ1 LYS 81 HZ1 LYS 81 83.650 -5.452 -2.425 664 HZ2 LYS 81 HZ2 LYS 81 82.217 -4.603 -2.090 665 HZ3 LYS 81 HZ3 LYS 81 82.903 -4.538 -3.643 666 H TYR 82 HN TYR 82 84.964 -8.434 -1.161 667 HA TYR 82 HA TYR 82 85.832 -7.805 -3.918 668 HB2 TYR 82 HB2 TYR 82 85.195 -6.214 -1.779 669 HB3 TYR 82 HB1 TYR 82 86.939 -6.259 -1.622 670 HD1 TYR 82 HD1 TYR 82 84.836 -3.990 -2.530 671 HD2 TYR 82 HD2 TYR 82 87.672 -6.499 -4.557 672 HE1 TYR 82 HE1 TYR 82 85.025 -2.313 -4.347 673 HE2 TYR 82 HE2 TYR 82 87.860 -4.824 -6.372 674 HH TYR 82 HH TYR 82 85.952 -2.778 -7.186 675 H GLY 83 HN GLY 83 87.287 -8.733 -0.792 676 HA2 GLY 83 HA2 GLY 83 89.114 -10.416 -0.807 677 HA3 GLY 83 HA1 GLY 83 89.714 -9.686 -2.298 678 H ILE 84 HN ILE 84 88.496 -7.740 0.298 679 HA ILE 84 HA ILE 84 91.063 -6.352 0.525 680 HB ILE 84 HB ILE 84 88.381 -6.000 1.883 681 HG12 ILE 84 HG12 ILE 84 89.664 -4.071 -0.050 682 HG13 ILE 84 HG11 ILE 84 88.840 -5.498 -0.665 683 HG21 ILE 84 HG21 ILE 84 90.028 -5.136 3.386 684 HG22 ILE 84 HG22 ILE 84 89.351 -3.754 2.533 685 HG23 ILE 84 HG23 ILE 84 90.932 -4.385 2.071 686 HD11 ILE 84 HD11 ILE 84 87.522 -3.661 1.330 687 HD12 ILE 84 HD12 ILE 84 86.762 -4.849 0.269 688 HD13 ILE 84 HD13 ILE 84 87.429 -3.361 -0.406 689 H GLN 85 HN GLN 85 92.067 -6.005 2.670 690 HA GLN 85 HA GLN 85 91.417 -7.727 4.897 691 HB2 GLN 85 HB2 GLN 85 92.720 -9.110 2.966 692 HB3 GLN 85 HB1 GLN 85 94.113 -8.406 3.776 693 HG2 GLN 85 HG2 GLN 85 93.882 -10.345 5.038 694 HG3 GLN 85 HG1 GLN 85 92.846 -9.267 5.969 695 HE21 GLN 85 HE21 GLN 85 90.568 -9.168 4.351 696 HE22 GLN 85 HE22 GLN 85 89.869 -10.704 4.262 697 H ALA 86 HN ALA 86 93.701 -7.742 6.297 698 HA ALA 86 HA ALA 86 94.075 -5.021 7.079 699 HB1 ALA 86 HB1 ALA 86 94.446 -6.749 8.695 700 HB2 ALA 86 HB2 ALA 86 96.023 -6.019 8.388 701 HB3 ALA 86 HB3 ALA 86 95.603 -7.562 7.640 702 H ASP 87 HN ASP 87 95.644 -6.995 4.692 703 HA ASP 87 HA ASP 87 98.061 -5.363 4.571 704 HB2 ASP 87 HB2 ASP 87 98.382 -6.668 2.392 705 HB3 ASP 87 HB1 ASP 87 98.301 -7.631 3.870 706 H ALA 88 HN ALA 88 94.885 -4.972 3.573 707 HA ALA 88 HA ALA 88 95.588 -3.258 1.236 708 HB1 ALA 88 HB1 ALA 88 93.777 -4.499 0.539 709 HB2 ALA 88 HB2 ALA 88 92.867 -3.229 1.357 710 HB3 ALA 88 HB3 ALA 88 93.209 -4.751 2.184 711 H LYS 89 HN LYS 89 96.027 -1.158 1.809 712 HA LYS 89 HA LYS 89 94.704 -0.011 4.212 713 HB2 LYS 89 HB2 LYS 89 96.685 1.481 2.506 714 HB3 LYS 89 HB1 LYS 89 96.355 1.647 4.229 715 HG2 LYS 89 HG2 LYS 89 97.629 -0.806 2.980 716 HG3 LYS 89 HG1 LYS 89 98.525 0.517 3.701 717 HD2 LYS 89 HD2 LYS 89 97.739 0.059 5.872 718 HD3 LYS 89 HD1 LYS 89 96.395 -0.909 5.279 719 HE2 LYS 89 HE2 LYS 89 98.172 -2.341 6.206 720 HE3 LYS 89 HE1 LYS 89 97.939 -2.621 4.480 721 HZ1 LYS 89 HZ1 LYS 89 99.839 -1.349 3.966 722 HZ2 LYS 89 HZ2 LYS 89 100.303 -2.384 5.230 723 HZ3 LYS 89 HZ3 LYS 89 99.972 -0.748 5.546 724 H LEU 90 HN LEU 90 92.877 0.976 3.966 725 HA LEU 90 HA LEU 90 92.105 2.121 1.336 726 HB2 LEU 90 HB2 LEU 90 90.322 2.019 3.759 727 HB3 LEU 90 HB1 LEU 90 89.875 1.999 2.054 728 HG LEU 90 HG LEU 90 91.260 -0.211 3.579 729 HD11 LEU 90 HD11 LEU 90 89.187 -1.468 3.021 730 HD12 LEU 90 HD12 LEU 90 88.518 -0.002 2.306 731 HD13 LEU 90 HD13 LEU 90 88.861 -0.063 4.035 732 HD21 LEU 90 HD21 LEU 90 90.591 0.125 0.646 733 HD22 LEU 90 HD22 LEU 90 90.889 -1.456 1.373 734 HD23 LEU 90 HD23 LEU 90 92.162 -0.238 1.363 735 H GLN 91 HN GLN 91 90.691 4.204 1.681 736 HA GLN 91 HA GLN 91 92.044 6.065 3.594 737 HB2 GLN 91 HB2 GLN 91 91.224 6.828 0.777 738 HB3 GLN 91 HB1 GLN 91 92.177 7.775 1.912 739 HG2 GLN 91 HG2 GLN 91 94.115 6.520 1.563 740 HG3 GLN 91 HG1 GLN 91 93.235 5.095 1.046 741 HE21 GLN 91 HE21 GLN 91 92.046 7.964 -0.342 742 HE22 GLN 91 HE22 GLN 91 92.764 7.784 -1.860 743 H PHE 92 HN PHE 92 90.681 8.101 3.819 744 HA PHE 92 HA PHE 92 87.754 7.503 3.518 745 HB2 PHE 92 HB2 PHE 92 88.314 7.310 5.847 746 HB3 PHE 92 HB1 PHE 92 89.232 8.797 5.821 747 HD1 PHE 92 HD1 PHE 92 85.870 7.300 5.770 748 HD2 PHE 92 HD2 PHE 92 88.091 10.977 5.864 749 HE1 PHE 92 HE1 PHE 92 83.812 8.528 6.404 750 HE2 PHE 92 HE2 PHE 92 86.032 12.203 6.494 751 HZ PHE 92 HZ PHE 92 83.893 10.980 6.766 752 H THR 93 HN THR 93 87.644 8.662 1.592 753 HA THR 93 HA THR 93 87.920 11.626 1.855 754 HB THR 93 HB THR 93 89.647 11.708 0.362 755 HG1 THR 93 HG1 THR 93 88.430 9.873 -1.375 756 HG21 THR 93 HG21 THR 93 90.374 9.620 1.438 757 HG22 THR 93 HG22 THR 93 90.813 9.637 -0.270 758 HG23 THR 93 HG23 THR 93 89.428 8.690 0.276 759 HA PRO 94 HA PRO 94 84.187 12.359 -0.409 760 HB2 PRO 94 HB2 PRO 94 85.873 12.995 -2.821 761 HB3 PRO 94 HB1 PRO 94 84.460 13.863 -2.179 762 HG2 PRO 94 HG2 PRO 94 86.903 14.759 -1.702 763 HG3 PRO 94 HG1 PRO 94 85.663 14.799 -0.433 764 HD2 PRO 94 HD2 PRO 94 88.036 13.011 -0.678 765 HD3 PRO 94 HD1 PRO 94 87.186 13.553 0.784 766 H TYR 541 HT1 TYR 541 47.580 29.360 1.008 767 HA TYR 541 HA TYR 541 45.639 30.194 1.727 768 HB2 TYR 541 HB2 TYR 541 45.694 27.615 2.066 769 HB3 TYR 541 HB1 TYR 541 45.749 27.984 3.788 770 HD1 TYR 541 HD1 TYR 541 43.799 28.709 4.961 771 HD2 TYR 541 HD2 TYR 541 43.777 28.481 0.672 772 HE1 TYR 541 HE1 TYR 541 41.346 29.071 4.955 773 HE2 TYR 541 HE2 TYR 541 41.324 28.844 0.665 774 HH TYR 541 HH TYR 541 39.489 29.007 1.919 775 H HIS 542 HN HIS 542 46.791 29.000 4.887 776 HA HIS 542 HA HIS 542 46.591 31.794 5.961 777 HB2 HIS 542 HB2 HIS 542 44.641 30.215 6.560 778 HB3 HIS 542 HB1 HIS 542 45.798 29.330 7.534 779 HD1 HIS 542 HD1 HIS 542 45.540 33.104 7.108 780 HD2 HIS 542 HD2 HIS 542 45.146 30.217 10.089 781 HE1 HIS 542 HE1 HIS 542 45.234 34.360 9.285 782 H GLU 543 HN GLU 543 47.157 30.086 8.562 783 HA GLU 543 HA GLU 543 48.933 29.563 9.821 784 HB2 GLU 543 HB2 GLU 543 49.300 27.917 7.876 785 HB3 GLU 543 HB1 GLU 543 50.526 29.053 7.307 786 HG2 GLU 543 HG2 GLU 543 51.933 28.675 9.117 787 HG3 GLU 543 HG1 GLU 543 50.598 28.259 10.195 788 H ARG 544 HN ARG 544 49.558 31.273 10.768 789 HA ARG 544 HA ARG 544 50.399 33.742 9.827 790 HB2 ARG 544 HB2 ARG 544 51.664 32.343 12.200 791 HB3 ARG 544 HB1 ARG 544 51.528 34.083 11.947 792 HG2 ARG 544 HG2 ARG 544 49.190 32.174 12.255 793 HG3 ARG 544 HG1 ARG 544 49.791 33.256 13.504 794 HD2 ARG 544 HD2 ARG 544 49.429 35.127 11.694 795 HD3 ARG 544 HD1 ARG 544 48.360 33.936 10.950 796 HE ARG 544 HE ARG 544 47.538 33.993 13.592 797 HH11 ARG 544 HH11 ARG 544 45.939 35.407 14.340 798 HH12 ARG 544 HH12 ARG 544 45.648 36.889 13.491 799 HH21 ARG 544 HH21 ARG 544 48.081 36.305 11.093 800 HH22 ARG 544 HH22 ARG 544 46.859 37.397 11.654 801 H ARG 545 HN ARG 545 52.662 34.669 9.850 802 HA ARG 545 HA ARG 545 54.380 34.408 8.010 803 HB2 ARG 545 HB2 ARG 545 55.306 33.991 10.863 804 HB3 ARG 545 HB1 ARG 545 56.361 34.405 9.526 805 HG2 ARG 545 HG2 ARG 545 55.938 36.547 10.272 806 HG3 ARG 545 HG1 ARG 545 54.561 36.369 9.197 807 HD2 ARG 545 HD2 ARG 545 53.540 37.122 11.164 808 HD3 ARG 545 HD1 ARG 545 53.375 35.376 11.329 809 HE ARG 545 HE ARG 545 55.795 35.913 12.551 810 HH11 ARG 545 HH11 ARG 545 55.964 36.398 14.752 811 HH12 ARG 545 HH12 ARG 545 54.606 37.081 15.582 812 HH21 ARG 545 HH21 ARG 545 52.566 37.101 12.778 813 HH22 ARG 545 HH22 ARG 545 52.682 37.478 14.465 814 H GLY 546 HN GLY 546 56.320 32.580 9.990 815 HA2 GLY 546 HA2 GLY 546 56.248 30.304 8.057 816 HA3 GLY 546 HA1 GLY 546 57.594 30.703 9.122 817 H SER 547 HN SER 547 57.770 29.575 10.988 818 HA SER 547 HA SER 547 55.570 28.627 12.567 819 HB2 SER 547 HB2 SER 547 56.711 26.826 10.468 820 HB3 SER 547 HB1 SER 547 56.323 26.109 12.030 821 HG SER 547 HG SER 547 54.418 27.818 10.982 822 H LEU 548 HN LEU 548 56.557 28.672 14.570 823 HA LEU 548 HA LEU 548 59.343 28.870 14.892 824 HB2 LEU 548 HB2 LEU 548 57.019 28.480 16.675 825 HB3 LEU 548 HB1 LEU 548 58.535 27.881 17.338 826 HG LEU 548 HG LEU 548 59.553 30.146 16.737 827 HD11 LEU 548 HD11 LEU 548 56.651 30.689 16.136 828 HD12 LEU 548 HD12 LEU 548 58.064 31.034 15.145 829 HD13 LEU 548 HD13 LEU 548 57.756 31.984 16.591 830 HD21 LEU 548 HD21 LEU 548 58.850 31.157 18.736 831 HD22 LEU 548 HD22 LEU 548 58.637 29.432 19.033 832 HD23 LEU 548 HD23 LEU 548 57.242 30.437 18.641 833 H CYS 549 HN CYS 549 60.992 27.433 15.109 834 HA CYS 549 HA CYS 549 60.378 24.603 14.562 835 HB2 CYS 549 HB2 CYS 549 62.321 25.321 13.432 836 HB3 CYS 549 HB1 CYS 549 62.864 26.293 14.788 837 H SER 550 HN SER 550 59.520 23.685 16.329 838 HA SER 550 HA SER 550 59.824 24.369 18.996 839 HB2 SER 550 HB2 SER 550 58.152 22.813 18.582 840 HB3 SER 550 HB1 SER 550 59.216 21.768 17.643 841 HG SER 550 HG SER 550 58.634 21.605 20.209 842 H GLY 551 HN GLY 551 61.417 24.356 20.348 843 HA2 GLY 551 HA2 GLY 551 63.294 23.186 21.475 844 HA3 GLY 551 HA1 GLY 551 63.782 22.569 19.890 845 H CYS 552 HN CYS 552 63.183 24.965 18.492 846 HA CYS 552 HA CYS 552 65.496 26.670 19.304 847 HB2 CYS 552 HB2 CYS 552 64.100 26.005 16.722 848 HB3 CYS 552 HB1 CYS 552 64.984 27.516 16.858 849 H GLN 553 HN GLN 553 62.109 26.558 18.414 850 HA GLN 553 HA GLN 553 60.424 28.096 18.539 851 HB2 GLN 553 HB2 GLN 553 62.087 29.070 20.845 852 HB3 GLN 553 HB1 GLN 553 60.442 29.613 20.503 853 HG2 GLN 553 HG2 GLN 553 61.217 26.718 20.868 854 HG3 GLN 553 HG1 GLN 553 60.553 27.713 22.147 855 HE21 GLN 553 HE21 GLN 553 59.822 26.249 19.007 856 HE22 GLN 553 HE22 GLN 553 58.132 26.313 19.164 857 H LYS 554 HN LYS 554 61.747 28.597 16.544 858 HA LYS 554 HA LYS 554 61.885 31.544 16.338 859 HB2 LYS 554 HB2 LYS 554 63.964 29.655 15.200 860 HB3 LYS 554 HB1 LYS 554 63.872 31.372 14.834 861 HG2 LYS 554 HG2 LYS 554 64.218 30.243 17.623 862 HG3 LYS 554 HG1 LYS 554 65.546 30.811 16.618 863 HD2 LYS 554 HD2 LYS 554 64.119 33.021 16.456 864 HD3 LYS 554 HD1 LYS 554 63.329 32.394 17.902 865 HE2 LYS 554 HE2 LYS 554 66.242 33.095 17.531 866 HE3 LYS 554 HE1 LYS 554 65.106 33.745 18.713 867 HZ1 LYS 554 HZ1 LYS 554 66.589 31.248 18.743 868 HZ2 LYS 554 HZ2 LYS 554 64.984 31.157 19.292 869 HZ3 LYS 554 HZ3 LYS 554 66.079 32.224 20.033 870 HA PRO 555 HA PRO 555 58.903 30.305 13.151 871 HB2 PRO 555 HB2 PRO 555 59.942 32.682 11.711 872 HB3 PRO 555 HB1 PRO 555 58.276 32.237 12.094 873 HG2 PRO 555 HG2 PRO 555 59.671 34.172 13.456 874 HG3 PRO 555 HG1 PRO 555 58.351 33.243 14.173 875 HD2 PRO 555 HD2 PRO 555 61.234 33.109 14.785 876 HD3 PRO 555 HD1 PRO 555 59.869 32.429 15.703 877 H ILE 556 HN ILE 556 59.057 28.942 11.531 878 HA ILE 556 HA ILE 556 61.645 28.530 10.147 879 HB ILE 556 HB ILE 556 59.041 26.966 10.253 880 HG12 ILE 556 HG12 ILE 556 61.741 25.989 11.179 881 HG13 ILE 556 HG11 ILE 556 60.822 27.045 12.229 882 HG21 ILE 556 HG21 ILE 556 59.949 26.573 8.088 883 HG22 ILE 556 HG22 ILE 556 60.447 25.207 9.085 884 HG23 ILE 556 HG23 ILE 556 61.596 26.488 8.715 885 HD11 ILE 556 HD11 ILE 556 60.543 24.349 12.245 886 HD12 ILE 556 HD12 ILE 556 59.310 24.752 11.056 887 HD13 ILE 556 HD13 ILE 556 59.232 25.439 12.678 888 H THR 557 HN THR 557 61.733 30.139 8.548 889 HA THR 557 HA THR 557 59.327 30.556 6.834 890 HB THR 557 HB THR 557 60.506 32.582 6.084 891 HG1 THR 557 HG1 THR 557 62.546 31.338 7.499 892 HG21 THR 557 HG21 THR 557 60.272 32.074 9.058 893 HG22 THR 557 HG22 THR 557 59.090 32.832 7.992 894 HG23 THR 557 HG23 THR 557 60.587 33.676 8.387 895 H GLY 558 HN GLY 558 59.436 28.773 5.490 896 HA2 GLY 558 HA2 GLY 558 60.521 28.853 3.011 897 HA3 GLY 558 HA1 GLY 558 61.855 28.160 3.947 898 H ARG 559 HN ARG 559 61.646 26.103 4.784 899 HA ARG 559 HA ARG 559 59.216 24.538 4.005 900 HB2 ARG 559 HB2 ARG 559 62.163 23.895 4.011 901 HB3 ARG 559 HB1 ARG 559 61.001 22.591 4.250 902 HG2 ARG 559 HG2 ARG 559 60.614 24.519 1.968 903 HG3 ARG 559 HG1 ARG 559 61.792 23.221 1.808 904 HD2 ARG 559 HD2 ARG 559 60.162 21.545 1.926 905 HD3 ARG 559 HD1 ARG 559 59.009 22.583 2.766 906 HE ARG 559 HE ARG 559 59.312 23.797 0.293 907 HH11 ARG 559 HH11 ARG 559 58.000 23.292 -1.477 908 HH12 ARG 559 HH12 ARG 559 57.237 21.739 -1.556 909 HH21 ARG 559 HH21 ARG 559 58.564 20.637 1.452 910 HH22 ARG 559 HH22 ARG 559 57.557 20.236 0.101 911 H CYS 560 HN CYS 560 58.508 23.007 5.644 912 HA CYS 560 HA CYS 560 59.860 23.218 8.273 913 HB2 CYS 560 HB2 CYS 560 57.745 23.709 9.437 914 HB3 CYS 560 HB1 CYS 560 58.225 25.019 8.353 915 HG CYS 560 HG CYS 560 55.604 23.851 8.159 916 H ILE 561 HN ILE 561 60.027 21.369 9.205 917 HA ILE 561 HA ILE 561 58.444 19.075 8.238 918 HB ILE 561 HB ILE 561 60.747 19.294 10.198 919 HG12 ILE 561 HG12 ILE 561 60.514 18.408 7.328 920 HG13 ILE 561 HG11 ILE 561 61.319 19.861 7.894 921 HG21 ILE 561 HG21 ILE 561 59.606 16.805 8.906 922 HG22 ILE 561 HG22 ILE 561 59.205 17.295 10.557 923 HG23 ILE 561 HG23 ILE 561 60.868 16.888 10.133 924 HD11 ILE 561 HD11 ILE 561 62.130 16.989 8.392 925 HD12 ILE 561 HD12 ILE 561 62.817 18.354 9.280 926 HD13 ILE 561 HD13 ILE 561 63.044 18.235 7.534 927 H THR 562 HN THR 562 57.118 17.945 9.580 928 HA THR 562 HA THR 562 56.430 19.202 12.213 929 HB THR 562 HB THR 562 54.444 17.731 10.489 930 HG1 THR 562 HG1 THR 562 54.519 19.426 9.262 931 HG21 THR 562 HG21 THR 562 52.831 18.711 11.959 932 HG22 THR 562 HG22 THR 562 54.037 19.790 12.661 933 HG23 THR 562 HG23 THR 562 54.108 18.057 12.988 934 H ALA 563 HN ALA 563 55.983 17.854 13.869 935 HA ALA 563 HA ALA 563 56.582 14.953 13.462 936 HB1 ALA 563 HB1 ALA 563 58.373 16.347 14.586 937 HB2 ALA 563 HB2 ALA 563 57.777 14.977 15.538 938 HB3 ALA 563 HB3 ALA 563 57.222 16.613 15.899 939 H MET 564 HN MET 564 56.053 15.227 16.568 940 HA MET 564 HA MET 564 53.418 14.108 16.532 941 HB2 MET 564 HB2 MET 564 54.619 15.444 18.944 942 HB3 MET 564 HB1 MET 564 53.669 13.959 18.855 943 HG2 MET 564 HG2 MET 564 55.652 13.013 17.477 944 HG3 MET 564 HG1 MET 564 56.551 14.396 18.096 945 HE1 MET 564 HE1 MET 564 55.414 10.553 20.175 946 HE2 MET 564 HE2 MET 564 55.909 10.866 18.514 947 HE3 MET 564 HE3 MET 564 54.305 11.357 19.055 948 H ALA 565 HN ALA 565 53.856 16.760 15.349 949 HA ALA 565 HA ALA 565 52.094 18.383 14.933 950 HB1 ALA 565 HB1 ALA 565 51.829 18.602 17.946 951 HB2 ALA 565 HB2 ALA 565 50.751 17.606 16.959 952 HB3 ALA 565 HB3 ALA 565 50.811 19.348 16.718 953 H LYS 566 HN LYS 566 54.907 18.045 16.670 954 HA LYS 566 HA LYS 566 55.408 20.895 17.151 955 HB2 LYS 566 HB2 LYS 566 57.337 18.557 17.174 956 HB3 LYS 566 HB1 LYS 566 57.591 20.134 17.899 957 HG2 LYS 566 HG2 LYS 566 55.366 18.240 18.703 958 HG3 LYS 566 HG1 LYS 566 56.907 18.354 19.536 959 HD2 LYS 566 HD2 LYS 566 55.887 19.945 20.834 960 HD3 LYS 566 HD1 LYS 566 56.134 21.022 19.463 961 HE2 LYS 566 HE2 LYS 566 53.843 21.267 19.846 962 HE3 LYS 566 HE1 LYS 566 53.844 19.994 18.627 963 HZ1 LYS 566 HZ1 LYS 566 52.422 19.397 20.462 964 HZ2 LYS 566 HZ2 LYS 566 53.696 19.606 21.567 965 HZ3 LYS 566 HZ3 LYS 566 53.759 18.355 20.419 966 H LYS 567 HN LYS 567 56.888 22.163 15.909 967 HA LYS 567 HA LYS 567 57.212 21.215 13.109 968 HB2 LYS 567 HB2 LYS 567 57.979 23.953 14.050 969 HB3 LYS 567 HB1 LYS 567 57.339 23.465 12.493 970 HG2 LYS 567 HG2 LYS 567 55.796 23.578 15.109 971 HG3 LYS 567 HG1 LYS 567 55.630 24.692 13.761 972 HD2 LYS 567 HD2 LYS 567 55.035 21.704 13.593 973 HD3 LYS 567 HD1 LYS 567 53.825 22.967 13.815 974 HE2 LYS 567 HE2 LYS 567 54.786 24.038 11.679 975 HE3 LYS 567 HE1 LYS 567 55.586 22.491 11.414 976 HZ1 LYS 567 HZ1 LYS 567 52.930 23.174 10.882 977 HZ2 LYS 567 HZ2 LYS 567 52.924 21.994 12.105 978 HZ3 LYS 567 HZ3 LYS 567 53.702 21.686 10.626 979 H PHE 568 HN PHE 568 59.445 22.062 12.105 980 HA PHE 568 HA PHE 568 61.655 21.981 14.043 981 HB2 PHE 568 HB2 PHE 568 60.682 19.543 12.727 982 HB3 PHE 568 HB1 PHE 568 62.374 19.812 12.364 983 HD1 PHE 568 HD1 PHE 568 60.320 18.112 14.542 984 HD2 PHE 568 HD2 PHE 568 63.658 20.818 14.630 985 HE1 PHE 568 HE1 PHE 568 60.941 17.274 16.790 986 HE2 PHE 568 HE2 PHE 568 64.277 19.978 16.880 987 HZ PHE 568 HZ PHE 568 62.919 18.206 17.960 988 H HIS 569 HN HIS 569 63.415 22.984 13.183 989 HA HIS 569 HA HIS 569 63.320 24.314 10.683 990 HB2 HIS 569 HB2 HIS 569 65.507 23.527 12.564 991 HB3 HIS 569 HB1 HIS 569 65.966 24.122 10.981 992 HD2 HIS 569 HD2 HIS 569 64.440 26.787 10.521 993 HE1 HIS 569 HE1 HIS 569 65.117 27.759 14.569 994 HA PRO 570 HA PRO 570 63.503 20.390 8.344 995 HB2 PRO 570 HB2 PRO 570 64.541 22.203 6.204 996 HB3 PRO 570 HB1 PRO 570 63.226 21.018 6.133 997 HG2 PRO 570 HG2 PRO 570 62.769 23.705 6.270 998 HG3 PRO 570 HG1 PRO 570 61.658 22.510 6.947 999 HD2 PRO 570 HD2 PRO 570 63.448 24.392 8.372 1000 HD3 PRO 570 HD1 PRO 570 62.011 23.529 8.971 1001 H GLU 571 HN GLU 571 66.031 22.553 9.149 1002 HA GLU 571 HA GLU 571 68.157 20.790 8.068 1003 HB2 GLU 571 HB2 GLU 571 68.663 23.298 9.654 1004 HB3 GLU 571 HB1 GLU 571 69.618 22.591 8.352 1005 HG2 GLU 571 HG2 GLU 571 67.683 23.091 6.801 1006 HG3 GLU 571 HG1 GLU 571 66.960 24.003 8.129 1007 H HIS 572 HN HIS 572 67.291 22.348 11.158 1008 HA HIS 572 HA HIS 572 69.173 20.929 12.734 1009 HB2 HIS 572 HB2 HIS 572 66.433 21.821 13.688 1010 HB3 HIS 572 HB1 HIS 572 67.881 21.602 14.670 1011 HD2 HIS 572 HD2 HIS 572 69.726 23.120 12.131 1012 HE1 HIS 572 HE1 HIS 572 67.719 26.542 13.547 1013 H PHE 573 HN PHE 573 66.686 19.641 10.966 1014 HA PHE 573 HA PHE 573 66.713 17.151 12.643 1015 HB2 PHE 573 HB2 PHE 573 64.482 18.543 12.524 1016 HB3 PHE 573 HB1 PHE 573 64.371 17.883 10.897 1017 HD1 PHE 573 HD1 PHE 573 64.888 16.866 14.459 1018 HD2 PHE 573 HD2 PHE 573 63.522 15.705 10.554 1019 HE1 PHE 573 HE1 PHE 573 64.042 14.729 15.390 1020 HE2 PHE 573 HE2 PHE 573 62.676 13.568 11.487 1021 HZ PHE 573 HZ PHE 573 62.937 13.080 13.904 1022 H VAL 574 HN VAL 574 68.635 17.421 10.842 1023 HA VAL 574 HA VAL 574 67.779 16.371 8.231 1024 HB VAL 574 HB VAL 574 70.238 16.481 7.712 1025 HG11 VAL 574 HG11 VAL 574 69.762 18.534 6.906 1026 HG12 VAL 574 HG12 VAL 574 69.869 19.248 8.493 1027 HG13 VAL 574 HG13 VAL 574 68.336 18.588 7.923 1028 HG21 VAL 574 HG21 VAL 574 70.989 16.240 10.073 1029 HG22 VAL 574 HG22 VAL 574 70.345 17.852 10.425 1030 HG23 VAL 574 HG23 VAL 574 71.692 17.660 9.295 1031 H CYS 575 HN CYS 575 69.412 14.606 7.379 1032 HA CYS 575 HA CYS 575 69.197 12.263 9.148 1033 HB2 CYS 575 HB2 CYS 575 68.894 11.364 7.086 1034 HB3 CYS 575 HB1 CYS 575 69.556 12.796 6.305 1035 H ALA 576 HN ALA 576 70.999 11.215 10.171 1036 HA ALA 576 HA ALA 576 73.463 12.912 10.153 1037 HB1 ALA 576 HB1 ALA 576 72.266 11.722 12.220 1038 HB2 ALA 576 HB2 ALA 576 74.026 11.841 12.154 1039 HB3 ALA 576 HB3 ALA 576 73.228 10.335 11.703 1040 H PHE 577 HN PHE 577 73.766 12.338 7.892 1041 HA PHE 577 HA PHE 577 75.793 10.258 7.537 1042 HB2 PHE 577 HB2 PHE 577 73.594 9.140 6.810 1043 HB3 PHE 577 HB1 PHE 577 73.471 10.380 5.575 1044 HD1 PHE 577 HD1 PHE 577 75.832 7.728 6.844 1045 HD2 PHE 577 HD2 PHE 577 74.499 10.076 3.495 1046 HE1 PHE 577 HE1 PHE 577 77.280 6.408 5.338 1047 HE2 PHE 577 HE2 PHE 577 75.951 8.743 1.994 1048 HZ PHE 577 HZ PHE 577 77.339 6.915 2.912 1049 H CYS 578 HN CYS 578 73.563 12.263 5.830 1050 HA CYS 578 HA CYS 578 75.686 14.102 4.816 1051 HB2 CYS 578 HB2 CYS 578 74.127 14.513 2.904 1052 HB3 CYS 578 HB1 CYS 578 74.645 12.839 2.944 1053 H LEU 579 HN LEU 579 75.281 15.192 6.865 1054 HA LEU 579 HA LEU 579 72.859 15.942 7.976 1055 HB2 LEU 579 HB2 LEU 579 75.486 17.426 7.907 1056 HB3 LEU 579 HB1 LEU 579 74.146 17.867 8.960 1057 HG LEU 579 HG LEU 579 74.817 14.980 9.107 1058 HD11 LEU 579 HD11 LEU 579 76.896 15.242 10.364 1059 HD12 LEU 579 HD12 LEU 579 76.869 16.985 10.095 1060 HD13 LEU 579 HD13 LEU 579 77.095 15.887 8.735 1061 HD21 LEU 579 HD21 LEU 579 73.336 16.410 10.661 1062 HD22 LEU 579 HD22 LEU 579 74.845 17.034 11.330 1063 HD23 LEU 579 HD23 LEU 579 74.477 15.311 11.436 1064 H LYS 580 HN LYS 580 73.175 16.703 4.813 1065 HA LYS 580 HA LYS 580 72.598 19.591 5.102 1066 HB2 LYS 580 HB2 LYS 580 72.959 19.776 2.837 1067 HB3 LYS 580 HB1 LYS 580 73.846 18.292 3.135 1068 HG2 LYS 580 HG2 LYS 580 70.953 18.347 2.168 1069 HG3 LYS 580 HG1 LYS 580 72.346 18.239 1.108 1070 HD2 LYS 580 HD2 LYS 580 72.910 16.101 1.805 1071 HD3 LYS 580 HD1 LYS 580 72.122 16.282 3.370 1072 HE2 LYS 580 HE2 LYS 580 70.982 14.788 1.560 1073 HE3 LYS 580 HE1 LYS 580 69.993 15.914 2.487 1074 HZ1 LYS 580 HZ1 LYS 580 71.056 16.285 -0.253 1075 HZ2 LYS 580 HZ2 LYS 580 70.362 17.543 0.653 1076 HZ3 LYS 580 HZ3 LYS 580 69.430 16.189 0.220 1077 H GLN 581 HN GLN 581 70.609 16.664 4.284 1078 HA GLN 581 HA GLN 581 68.319 18.193 5.199 1079 HB2 GLN 581 HB2 GLN 581 68.658 19.027 2.877 1080 HB3 GLN 581 HB1 GLN 581 68.234 17.420 2.295 1081 HG2 GLN 581 HG2 GLN 581 66.205 18.658 2.258 1082 HG3 GLN 581 HG1 GLN 581 66.092 17.669 3.700 1083 HE21 GLN 581 HE21 GLN 581 66.746 18.795 5.797 1084 HE22 GLN 581 HE22 GLN 581 66.453 20.453 5.917 1085 H LEU 582 HN LEU 582 66.572 17.060 5.759 1086 HA LEU 582 HA LEU 582 66.365 14.201 4.959 1087 HB2 LEU 582 HB2 LEU 582 67.373 14.497 7.253 1088 HB3 LEU 582 HB1 LEU 582 65.855 15.212 7.764 1089 HG LEU 582 HG LEU 582 64.691 13.110 7.238 1090 HD11 LEU 582 HD11 LEU 582 65.685 11.887 5.575 1091 HD12 LEU 582 HD12 LEU 582 66.572 11.138 6.900 1092 HD13 LEU 582 HD13 LEU 582 67.297 12.453 5.982 1093 HD21 LEU 582 HD21 LEU 582 67.077 13.085 9.077 1094 HD22 LEU 582 HD22 LEU 582 66.068 11.650 8.926 1095 HD23 LEU 582 HD23 LEU 582 65.363 13.169 9.472 1096 H ASN 583 HN ASN 583 64.065 13.395 5.592 1097 HA ASN 583 HA ASN 583 62.034 15.570 5.594 1098 HB2 ASN 583 HB2 ASN 583 62.497 13.594 3.356 1099 HB3 ASN 583 HB1 ASN 583 60.885 14.233 3.652 1100 HD21 ASN 583 HD21 ASN 583 62.052 14.856 1.241 1101 HD22 ASN 583 HD22 ASN 583 62.523 16.482 1.217 1102 H LYS 584 HN LYS 584 60.402 15.002 6.900 1103 HA LYS 584 HA LYS 584 60.287 12.700 8.472 1104 HB2 LYS 584 HB2 LYS 584 57.819 13.294 8.669 1105 HB3 LYS 584 HB1 LYS 584 58.949 14.602 9.022 1106 HG2 LYS 584 HG2 LYS 584 58.524 15.720 7.006 1107 HG3 LYS 584 HG1 LYS 584 57.969 14.262 6.183 1108 HD2 LYS 584 HD2 LYS 584 55.998 15.497 6.541 1109 HD3 LYS 584 HD1 LYS 584 55.988 14.315 7.840 1110 HE2 LYS 584 HE2 LYS 584 55.508 16.288 8.996 1111 HE3 LYS 584 HE1 LYS 584 57.258 16.197 9.182 1112 HZ1 LYS 584 HZ1 LYS 584 55.881 17.684 7.015 1113 HZ2 LYS 584 HZ2 LYS 584 57.546 17.687 7.355 1114 HZ3 LYS 584 HZ3 LYS 584 56.451 18.394 8.445 1115 H GLY 585 HN GLY 585 59.437 13.081 5.152 1116 HA2 GLY 585 HA2 GLY 585 57.682 10.729 5.074 1117 HA3 GLY 585 HA1 GLY 585 58.170 11.715 3.697 1118 H THR 586 HN THR 586 60.988 11.504 4.738 1119 HA THR 586 HA THR 586 61.591 8.670 3.996 1120 HB THR 586 HB THR 586 63.095 9.294 2.330 1121 HG1 THR 586 HG1 THR 586 63.283 11.645 3.851 1122 HG21 THR 586 HG21 THR 586 61.201 11.662 2.296 1123 HG22 THR 586 HG22 THR 586 60.753 10.041 1.764 1124 HG23 THR 586 HG23 THR 586 62.014 10.931 0.909 1125 H PHE 587 HN PHE 587 61.501 10.201 6.555 1126 HA PHE 587 HA PHE 587 64.373 10.417 7.250 1127 HB2 PHE 587 HB2 PHE 587 63.754 11.493 9.215 1128 HB3 PHE 587 HB1 PHE 587 62.515 12.012 8.094 1129 HD1 PHE 587 HD1 PHE 587 60.592 9.874 7.959 1130 HD2 PHE 587 HD2 PHE 587 62.852 11.220 11.355 1131 HE1 PHE 587 HE1 PHE 587 58.851 8.976 9.471 1132 HE2 PHE 587 HE2 PHE 587 61.110 10.315 12.867 1133 HZ PHE 587 HZ PHE 587 59.110 9.194 11.926 1134 H LYS 588 HN LYS 588 65.347 8.585 7.524 1135 HA LYS 588 HA LYS 588 64.077 6.327 8.981 1136 HB2 LYS 588 HB2 LYS 588 65.635 6.491 6.632 1137 HB3 LYS 588 HB1 LYS 588 66.752 5.908 7.826 1138 HG2 LYS 588 HG2 LYS 588 65.579 4.099 6.542 1139 HG3 LYS 588 HG1 LYS 588 65.443 3.967 8.281 1140 HD2 LYS 588 HD2 LYS 588 63.342 3.562 6.755 1141 HD3 LYS 588 HD1 LYS 588 63.163 4.416 8.266 1142 HE2 LYS 588 HE2 LYS 588 62.791 6.465 7.200 1143 HE3 LYS 588 HE1 LYS 588 63.707 6.002 5.786 1144 HZ1 LYS 588 HZ1 LYS 588 61.036 5.984 5.948 1145 HZ2 LYS 588 HZ2 LYS 588 61.408 4.359 6.277 1146 HZ3 LYS 588 HZ3 LYS 588 61.941 5.079 4.834 1147 H GLU 589 HN GLU 589 65.682 5.186 10.530 1148 HA GLU 589 HA GLU 589 67.683 7.022 11.704 1149 HB2 GLU 589 HB2 GLU 589 65.889 7.881 12.920 1150 HB3 GLU 589 HB1 GLU 589 65.064 6.331 13.016 1151 HG2 GLU 589 HG2 GLU 589 66.595 5.532 14.679 1152 HG3 GLU 589 HG1 GLU 589 67.702 6.883 14.413 1153 H GLN 590 HN GLN 590 68.958 6.059 13.284 1154 HA GLN 590 HA GLN 590 68.761 3.194 13.835 1155 HB2 GLN 590 HB2 GLN 590 70.016 3.575 11.554 1156 HB3 GLN 590 HB1 GLN 590 71.324 4.176 12.563 1157 HG2 GLN 590 HG2 GLN 590 71.942 1.953 12.586 1158 HG3 GLN 590 HG1 GLN 590 70.773 1.875 13.902 1159 HE21 GLN 590 HE21 GLN 590 71.512 0.704 10.742 1160 HE22 GLN 590 HE22 GLN 590 70.068 -0.146 10.481 1161 H ASN 591 HN ASN 591 69.992 2.726 15.729 1162 HA ASN 591 HA ASN 591 70.810 3.341 17.828 1163 HB2 ASN 591 HB2 ASN 591 72.976 4.952 17.381 1164 HB3 ASN 591 HB1 ASN 591 73.006 3.212 17.186 1165 HD21 ASN 591 HD21 ASN 591 72.113 2.547 14.890 1166 HD22 ASN 591 HD22 ASN 591 72.727 3.440 13.591 1167 H ASP 592 HN ASP 592 68.762 5.177 16.558 1168 HA ASP 592 HA ASP 592 67.579 7.018 17.446 1169 HB2 ASP 592 HB2 ASP 592 69.975 7.886 19.042 1170 HB3 ASP 592 HB1 ASP 592 68.264 8.105 19.398 1171 H LYS 593 HN LYS 593 70.398 7.033 15.714 1172 HA LYS 593 HA LYS 593 70.657 9.932 15.408 1173 HB2 LYS 593 HB2 LYS 593 71.975 7.719 13.858 1174 HB3 LYS 593 HB1 LYS 593 72.498 9.393 13.981 1175 HG2 LYS 593 HG2 LYS 593 72.576 8.911 16.556 1176 HG3 LYS 593 HG1 LYS 593 72.607 7.220 16.060 1177 HD2 LYS 593 HD2 LYS 593 74.609 7.600 14.721 1178 HD3 LYS 593 HD1 LYS 593 74.554 9.329 15.073 1179 HE2 LYS 593 HE2 LYS 593 74.737 7.244 17.256 1180 HE3 LYS 593 HE1 LYS 593 76.168 7.935 16.493 1181 HZ1 LYS 593 HZ1 LYS 593 75.010 9.002 18.618 1182 HZ2 LYS 593 HZ2 LYS 593 74.143 9.817 17.404 1183 HZ3 LYS 593 HZ3 LYS 593 75.838 9.928 17.464 1184 HA PRO 594 HA PRO 594 67.396 9.821 12.193 1185 HB2 PRO 594 HB2 PRO 594 68.869 12.254 11.294 1186 HB3 PRO 594 HB1 PRO 594 67.141 12.041 11.576 1187 HG2 PRO 594 HG2 PRO 594 68.735 13.411 13.279 1188 HG3 PRO 594 HG1 PRO 594 67.348 12.468 13.848 1189 HD2 PRO 594 HD2 PRO 594 70.254 11.869 14.128 1190 HD3 PRO 594 HD1 PRO 594 68.883 11.302 15.110 1191 H TYR 595 HN TYR 595 67.419 9.657 9.755 1192 HA TYR 595 HA TYR 595 69.956 9.476 8.339 1193 HB2 TYR 595 HB2 TYR 595 68.729 7.034 9.557 1194 HB3 TYR 595 HB1 TYR 595 69.402 6.869 7.947 1195 HD1 TYR 595 HD1 TYR 595 71.795 8.101 7.708 1196 HD2 TYR 595 HD2 TYR 595 70.164 6.465 11.317 1197 HE1 TYR 595 HE1 TYR 595 74.093 7.822 8.622 1198 HE2 TYR 595 HE2 TYR 595 72.455 6.191 12.228 1199 HH TYR 595 HH TYR 595 74.616 6.565 11.908 1200 H CYS 596 HN CYS 596 69.566 9.367 6.086 1201 HA CYS 596 HA CYS 596 66.743 9.414 5.218 1202 HB2 CYS 596 HB2 CYS 596 69.150 9.159 3.392 1203 HB3 CYS 596 HB1 CYS 596 67.557 9.784 3.005 1204 H GLN 597 HN GLN 597 65.908 7.644 3.821 1205 HA GLN 597 HA GLN 597 66.728 5.098 4.805 1206 HB2 GLN 597 HB2 GLN 597 64.550 5.063 3.935 1207 HB3 GLN 597 HB1 GLN 597 64.981 6.041 2.561 1208 HG2 GLN 597 HG2 GLN 597 64.693 3.970 1.541 1209 HG3 GLN 597 HG1 GLN 597 66.408 3.919 1.889 1210 HE21 GLN 597 HE21 GLN 597 66.062 3.534 4.784 1211 HE22 GLN 597 HE22 GLN 597 65.503 1.967 4.996 1212 H ASN 598 HN ASN 598 67.209 6.575 1.607 1213 HA ASN 598 HA ASN 598 68.995 4.775 0.489 1214 HB2 ASN 598 HB2 ASN 598 69.570 7.715 0.244 1215 HB3 ASN 598 HB1 ASN 598 69.569 6.474 -1.003 1216 HD21 ASN 598 HD21 ASN 598 67.132 5.305 -0.776 1217 HD22 ASN 598 HD22 ASN 598 65.894 6.432 -1.021 1218 H CYS 599 HN CYS 599 69.548 6.982 3.128 1219 HA CYS 599 HA CYS 599 72.460 6.624 3.055 1220 HB2 CYS 599 HB2 CYS 599 70.554 8.050 4.917 1221 HB3 CYS 599 HB1 CYS 599 72.264 7.872 5.293 1222 H PHE 600 HN PHE 600 69.981 5.975 5.578 1223 HA PHE 600 HA PHE 600 71.541 4.260 7.154 1224 HB2 PHE 600 HB2 PHE 600 69.600 4.624 8.302 1225 HB3 PHE 600 HB1 PHE 600 68.687 4.901 6.830 1226 HD1 PHE 600 HD1 PHE 600 67.708 2.975 5.588 1227 HD2 PHE 600 HD2 PHE 600 69.615 2.483 9.401 1228 HE1 PHE 600 HE1 PHE 600 66.636 0.752 5.834 1229 HE2 PHE 600 HE2 PHE 600 68.542 0.260 9.649 1230 HZ PHE 600 HZ PHE 600 67.055 -0.605 7.866 1231 H LEU 601 HN LEU 601 69.246 3.300 4.567 1232 HA LEU 601 HA LEU 601 69.726 0.550 4.639 1233 HB2 LEU 601 HB2 LEU 601 68.348 0.583 2.828 1234 HB3 LEU 601 HB1 LEU 601 68.354 2.329 2.980 1235 HG LEU 601 HG LEU 601 70.370 2.368 1.432 1236 HD11 LEU 601 HD11 LEU 601 69.995 -0.554 1.658 1237 HD12 LEU 601 HD12 LEU 601 71.406 0.350 1.123 1238 HD13 LEU 601 HD13 LEU 601 70.112 -0.002 -0.007 1239 HD21 LEU 601 HD21 LEU 601 67.965 2.722 0.728 1240 HD22 LEU 601 HD22 LEU 601 67.926 1.030 0.252 1241 HD23 LEU 601 HD23 LEU 601 69.023 2.149 -0.555 1242 H LYS 602 HN LYS 602 71.618 3.077 3.029 1243 HA LYS 602 HA LYS 602 73.501 1.450 1.722 1244 HB2 LYS 602 HB2 LYS 602 73.262 4.147 2.085 1245 HB3 LYS 602 HB1 LYS 602 74.644 3.839 3.106 1246 HG2 LYS 602 HG2 LYS 602 74.367 3.164 0.170 1247 HG3 LYS 602 HG1 LYS 602 75.400 4.400 0.872 1248 HD2 LYS 602 HD2 LYS 602 76.511 2.487 2.181 1249 HD3 LYS 602 HD1 LYS 602 75.675 1.399 1.080 1250 HE2 LYS 602 HE2 LYS 602 77.740 1.734 0.005 1251 HE3 LYS 602 HE1 LYS 602 76.675 2.880 -0.806 1252 HZ1 LYS 602 HZ1 LYS 602 77.493 4.436 1.109 1253 HZ2 LYS 602 HZ2 LYS 602 78.425 4.220 -0.295 1254 HZ3 LYS 602 HZ3 LYS 602 78.819 3.379 1.128 1255 H LEU 603 HN LEU 603 73.089 2.045 5.123 1256 HA LEU 603 HA LEU 603 75.752 0.953 5.804 1257 HB2 LEU 603 HB2 LEU 603 73.676 1.650 7.857 1258 HB3 LEU 603 HB1 LEU 603 75.428 1.840 7.929 1259 HG LEU 603 HG LEU 603 73.523 3.474 6.227 1260 HD11 LEU 603 HD11 LEU 603 73.902 5.252 7.717 1261 HD12 LEU 603 HD12 LEU 603 75.296 4.458 8.445 1262 HD13 LEU 603 HD13 LEU 603 73.670 3.860 8.774 1263 HD21 LEU 603 HD21 LEU 603 75.568 4.818 5.723 1264 HD22 LEU 603 HD22 LEU 603 75.669 3.182 5.083 1265 HD23 LEU 603 HD23 LEU 603 76.536 3.604 6.556 1266 H PHE 604 HN PHE 604 72.385 0.186 6.791 1267 HA PHE 604 HA PHE 604 73.289 -2.468 7.703 1268 HB2 PHE 604 HB2 PHE 604 70.834 -0.792 7.989 1269 HB3 PHE 604 HB1 PHE 604 70.589 -2.534 8.055 1270 HD1 PHE 604 HD1 PHE 604 73.113 -0.041 9.367 1271 HD2 PHE 604 HD2 PHE 604 70.634 -3.463 10.195 1272 HE1 PHE 604 HE1 PHE 604 73.934 -0.080 11.703 1273 HE2 PHE 604 HE2 PHE 604 71.460 -3.491 12.530 1274 HZ PHE 604 HZ PHE 604 73.109 -1.802 13.284 1275 H CYS 605 HN CYS 605 73.416 -1.871 4.812 1276 HA CYS 605 HA CYS 605 71.833 -4.224 3.898 1277 HB2 CYS 605 HB2 CYS 605 70.694 -1.902 3.403 1278 HB3 CYS 605 HB1 CYS 605 71.918 -1.783 2.137 1279 HG CYS 605 HG CYS 605 70.770 -3.575 0.836 Start of MODEL 14 1 H MET 1 HT1 MET 1 93.445 -23.002 10.700 2 HA MET 1 HA MET 1 92.148 -25.312 9.471 3 HB2 MET 1 HB2 MET 1 92.433 -23.055 8.382 4 HB3 MET 1 HB1 MET 1 94.174 -23.312 8.424 5 HG2 MET 1 HG2 MET 1 93.631 -25.565 7.213 6 HG3 MET 1 HG1 MET 1 92.082 -24.808 6.855 7 HE1 MET 1 HE1 MET 1 95.525 -24.628 4.251 8 HE2 MET 1 HE2 MET 1 94.518 -25.879 4.977 9 HE3 MET 1 HE3 MET 1 95.794 -25.122 5.928 10 H ALA 2 HN ALA 2 95.271 -24.692 8.316 11 HA ALA 2 HA ALA 2 96.605 -26.684 10.049 12 HB1 ALA 2 HB1 ALA 2 97.156 -28.165 8.211 13 HB2 ALA 2 HB2 ALA 2 96.337 -27.106 7.064 14 HB3 ALA 2 HB3 ALA 2 95.402 -27.988 8.273 15 H LEU 3 HN LEU 3 96.613 -24.179 7.688 16 HA LEU 3 HA LEU 3 99.111 -23.959 6.605 17 HB2 LEU 3 HB2 LEU 3 97.442 -21.898 8.047 18 HB3 LEU 3 HB1 LEU 3 98.938 -21.449 7.233 19 HG LEU 3 HG LEU 3 96.661 -22.932 5.886 20 HD11 LEU 3 HD11 LEU 3 95.889 -20.720 6.567 21 HD12 LEU 3 HD12 LEU 3 96.144 -20.739 4.822 22 HD13 LEU 3 HD13 LEU 3 97.331 -19.974 5.879 23 HD21 LEU 3 HD21 LEU 3 98.013 -21.746 3.876 24 HD22 LEU 3 HD22 LEU 3 98.455 -23.332 4.493 25 HD23 LEU 3 HD23 LEU 3 99.343 -21.907 5.024 26 H ASP 4 HN ASP 4 98.465 -22.334 9.621 27 HA ASP 4 HA ASP 4 99.894 -21.768 11.384 28 HB2 ASP 4 HB2 ASP 4 99.253 -24.022 12.023 29 HB3 ASP 4 HB1 ASP 4 100.476 -24.698 10.950 30 H GLY 5 HN GLY 5 100.972 -21.738 8.529 31 HA2 GLY 5 HA2 GLY 5 103.781 -22.364 8.617 32 HA3 GLY 5 HA1 GLY 5 102.995 -21.273 7.470 33 H ILE 6 HN ILE 6 101.890 -20.067 10.074 34 HA ILE 6 HA ILE 6 104.141 -18.145 10.469 35 HB ILE 6 HB ILE 6 101.852 -16.909 11.459 36 HG12 ILE 6 HG12 ILE 6 100.597 -18.941 10.467 37 HG13 ILE 6 HG11 ILE 6 99.999 -17.341 10.071 38 HG21 ILE 6 HG21 ILE 6 103.108 -16.829 8.728 39 HG22 ILE 6 HG22 ILE 6 103.376 -15.730 10.082 40 HG23 ILE 6 HG23 ILE 6 101.834 -15.716 9.227 41 HD11 ILE 6 HD11 ILE 6 100.473 -19.258 8.211 42 HD12 ILE 6 HD12 ILE 6 102.030 -18.434 8.189 43 HD13 ILE 6 HD13 ILE 6 100.551 -17.534 7.863 44 H ARG 7 HN ARG 7 101.547 -17.993 12.781 45 HA ARG 7 HA ARG 7 102.828 -19.841 14.632 46 HB2 ARG 7 HB2 ARG 7 103.211 -17.991 16.324 47 HB3 ARG 7 HB1 ARG 7 104.326 -18.074 14.977 48 HG2 ARG 7 HG2 ARG 7 101.962 -16.334 14.517 49 HG3 ARG 7 HG1 ARG 7 103.083 -15.776 15.761 50 HD2 ARG 7 HD2 ARG 7 104.947 -15.974 14.139 51 HD3 ARG 7 HD1 ARG 7 103.791 -16.466 12.906 52 HE ARG 7 HE ARG 7 103.178 -14.206 12.673 53 HH11 ARG 7 HH11 ARG 7 103.202 -12.030 13.277 54 HH12 ARG 7 HH12 ARG 7 103.901 -11.574 14.795 55 HH21 ARG 7 HH21 ARG 7 104.751 -14.816 15.680 56 HH22 ARG 7 HH22 ARG 7 104.777 -13.151 16.154 57 H MET 8 HN MET 8 101.174 -17.007 15.913 58 HA MET 8 HA MET 8 98.668 -18.628 16.100 59 HB2 MET 8 HB2 MET 8 99.135 -17.129 18.576 60 HB3 MET 8 HB1 MET 8 98.731 -18.819 18.345 61 HG2 MET 8 HG2 MET 8 101.116 -19.272 17.740 62 HG3 MET 8 HG1 MET 8 101.510 -17.613 18.163 63 HE1 MET 8 HE1 MET 8 102.940 -19.873 21.020 64 HE2 MET 8 HE2 MET 8 103.298 -18.432 20.072 65 HE3 MET 8 HE3 MET 8 102.932 -19.947 19.251 66 HA PRO 9 HA PRO 9 97.327 -14.005 16.777 67 HB2 PRO 9 HB2 PRO 9 99.724 -12.668 15.555 68 HB3 PRO 9 HB1 PRO 9 98.670 -12.100 16.871 69 HG2 PRO 9 HG2 PRO 9 101.033 -13.035 17.463 70 HG3 PRO 9 HG1 PRO 9 99.624 -13.563 18.410 71 HD2 PRO 9 HD2 PRO 9 101.019 -15.033 16.190 72 HD3 PRO 9 HD1 PRO 9 100.531 -15.631 17.777 73 H ASP 10 HN ASP 10 99.448 -14.960 14.175 74 HA ASP 10 HA ASP 10 97.424 -14.112 12.139 75 HB2 ASP 10 HB2 ASP 10 99.836 -13.183 12.050 76 HB3 ASP 10 HB1 ASP 10 100.310 -14.812 11.576 77 H GLY 11 HN GLY 11 99.258 -16.708 13.520 78 HA2 GLY 11 HA2 GLY 11 98.528 -18.619 11.414 79 HA3 GLY 11 HA1 GLY 11 99.422 -18.981 12.884 80 H CYS 12 HN CYS 12 96.857 -17.260 13.968 81 HA CYS 12 HA CYS 12 94.835 -19.388 13.858 82 HB2 CYS 12 HB2 CYS 12 95.030 -20.181 16.025 83 HB3 CYS 12 HB1 CYS 12 96.710 -19.777 15.697 84 HG CYS 12 HG CYS 12 95.247 -17.422 16.940 85 H TYR 13 HN TYR 13 95.867 -16.237 14.969 86 HA TYR 13 HA TYR 13 94.703 -14.300 15.465 87 HB2 TYR 13 HB2 TYR 13 92.594 -15.749 13.840 88 HB3 TYR 13 HB1 TYR 13 92.414 -14.106 14.427 89 HD1 TYR 13 HD1 TYR 13 93.938 -16.247 11.931 90 HD2 TYR 13 HD2 TYR 13 94.050 -12.333 13.698 91 HE1 TYR 13 HE1 TYR 13 95.220 -15.404 9.982 92 HE2 TYR 13 HE2 TYR 13 95.333 -11.490 11.750 93 HH TYR 13 HH TYR 13 95.509 -12.322 9.166 94 H ALA 14 HN ALA 14 91.694 -16.086 15.521 95 HA ALA 14 HA ALA 14 91.570 -17.157 18.062 96 HB1 ALA 14 HB1 ALA 14 91.600 -14.177 18.111 97 HB2 ALA 14 HB2 ALA 14 92.152 -15.316 19.336 98 HB3 ALA 14 HB3 ALA 14 90.432 -14.960 19.179 99 H ASP 15 HN ASP 15 89.922 -14.941 15.865 100 HA ASP 15 HA ASP 15 87.575 -16.743 15.923 101 HB2 ASP 15 HB2 ASP 15 87.316 -14.860 17.665 102 HB3 ASP 15 HB1 ASP 15 87.177 -13.770 16.286 103 H GLY 16 HN GLY 16 89.777 -15.014 14.198 104 HA2 GLY 16 HA2 GLY 16 89.850 -14.903 11.808 105 HA3 GLY 16 HA1 GLY 16 88.100 -15.121 11.761 106 H THR 17 HN THR 17 89.151 -12.812 14.063 107 HA THR 17 HA THR 17 87.938 -10.664 12.464 108 HB THR 17 HB THR 17 87.356 -10.392 14.725 109 HG1 THR 17 HG1 THR 17 88.209 -8.477 14.008 110 HG21 THR 17 HG21 THR 17 90.198 -11.226 15.295 111 HG22 THR 17 HG22 THR 17 88.719 -12.083 15.729 112 HG23 THR 17 HG23 THR 17 89.129 -10.570 16.534 113 H TRP 18 HN TRP 18 89.062 -9.371 11.233 114 HA TRP 18 HA TRP 18 91.958 -8.874 11.770 115 HB2 TRP 18 HB2 TRP 18 91.784 -8.578 9.051 116 HB3 TRP 18 HB1 TRP 18 92.330 -10.048 9.838 117 HD1 TRP 18 HD1 TRP 18 89.048 -8.497 8.509 118 HE1 TRP 18 HE1 TRP 18 87.538 -10.422 7.687 119 HE3 TRP 18 HE3 TRP 18 91.916 -12.503 9.848 120 HZ2 TRP 18 HZ2 TRP 18 87.548 -13.281 7.610 121 HZ3 TRP 18 HZ3 TRP 18 91.144 -14.813 9.391 122 HH2 TRP 18 HH2 TRP 18 88.964 -15.207 8.275 123 H GLU 19 HN GLU 19 92.169 -6.748 12.203 124 HA GLU 19 HA GLU 19 90.016 -4.906 11.576 125 HB2 GLU 19 HB2 GLU 19 92.185 -3.283 12.279 126 HB3 GLU 19 HB1 GLU 19 90.963 -3.895 13.385 127 HG2 GLU 19 HG2 GLU 19 93.277 -4.378 14.131 128 HG3 GLU 19 HG1 GLU 19 92.309 -5.829 13.881 129 H LEU 20 HN LEU 20 89.777 -3.756 9.750 130 HA LEU 20 HA LEU 20 91.822 -4.022 7.664 131 HB2 LEU 20 HB2 LEU 20 89.003 -3.619 7.724 132 HB3 LEU 20 HB1 LEU 20 89.663 -2.152 7.017 133 HG LEU 20 HG LEU 20 89.194 -3.719 5.241 134 HD11 LEU 20 HD11 LEU 20 91.141 -3.455 4.086 135 HD12 LEU 20 HD12 LEU 20 92.157 -4.055 5.393 136 HD13 LEU 20 HD13 LEU 20 91.528 -2.407 5.450 137 HD21 LEU 20 HD21 LEU 20 91.154 -5.734 6.320 138 HD22 LEU 20 HD22 LEU 20 89.812 -5.970 5.211 139 HD23 LEU 20 HD23 LEU 20 89.497 -5.741 6.925 140 H SER 21 HN SER 21 93.275 -2.442 7.146 141 HA SER 21 HA SER 21 93.538 -0.207 9.001 142 HB2 SER 21 HB2 SER 21 95.379 -1.573 7.629 143 HB3 SER 21 HB1 SER 21 95.078 -0.311 6.437 144 HG SER 21 HG SER 21 95.361 0.506 9.075 145 H VAL 22 HN VAL 22 93.205 1.963 8.531 146 HA VAL 22 HA VAL 22 91.978 2.600 5.901 147 HB VAL 22 HB VAL 22 90.728 2.975 8.622 148 HG11 VAL 22 HG11 VAL 22 90.646 5.208 7.650 149 HG12 VAL 22 HG12 VAL 22 89.066 4.451 7.515 150 HG13 VAL 22 HG13 VAL 22 90.121 4.541 6.097 151 HG21 VAL 22 HG21 VAL 22 89.700 2.077 5.913 152 HG22 VAL 22 HG22 VAL 22 88.777 2.071 7.422 153 HG23 VAL 22 HG23 VAL 22 90.167 1.000 7.234 154 H HIS 23 HN HIS 23 93.437 3.962 5.113 155 HA HIS 23 HA HIS 23 94.807 5.924 6.814 156 HB2 HIS 23 HB2 HIS 23 94.883 5.108 3.925 157 HB3 HIS 23 HB1 HIS 23 95.574 6.664 4.386 158 HD1 HIS 23 HD1 HIS 23 95.868 2.980 5.320 159 HD2 HIS 23 HD2 HIS 23 98.136 6.475 5.437 160 HE1 HIS 23 HE1 HIS 23 98.180 2.308 6.106 161 H VAL 24 HN VAL 24 93.374 7.527 7.523 162 HA VAL 24 HA VAL 24 91.251 8.470 5.754 163 HB VAL 24 HB VAL 24 92.293 9.990 8.132 164 HG11 VAL 24 HG11 VAL 24 89.520 9.544 7.025 165 HG12 VAL 24 HG12 VAL 24 90.502 10.976 6.731 166 HG13 VAL 24 HG13 VAL 24 89.937 10.611 8.362 167 HG21 VAL 24 HG21 VAL 24 90.851 8.603 9.573 168 HG22 VAL 24 HG22 VAL 24 92.090 7.611 8.809 169 HG23 VAL 24 HG23 VAL 24 90.441 7.591 8.189 170 H THR 25 HN THR 25 91.628 9.806 4.062 171 HA THR 25 HA THR 25 94.250 11.050 3.788 172 HB THR 25 HB THR 25 93.638 11.440 1.565 173 HG1 THR 25 HG1 THR 25 91.712 12.134 1.000 174 HG21 THR 25 HG21 THR 25 93.458 9.001 2.224 175 HG22 THR 25 HG22 THR 25 92.522 9.440 0.796 176 HG23 THR 25 HG23 THR 25 91.714 9.232 2.349 177 H ASP 26 HN ASP 26 90.943 12.488 3.683 178 HA ASP 26 HA ASP 26 91.734 15.169 3.775 179 HB2 ASP 26 HB2 ASP 26 89.400 14.562 3.496 180 HB3 ASP 26 HB1 ASP 26 89.345 13.879 5.122 181 H LEU 27 HN LEU 27 92.316 12.805 6.127 182 HA LEU 27 HA LEU 27 92.886 14.900 8.209 183 HB2 LEU 27 HB2 LEU 27 91.643 12.205 8.343 184 HB3 LEU 27 HB1 LEU 27 92.777 12.566 9.635 185 HG LEU 27 HG LEU 27 90.661 14.592 8.909 186 HD11 LEU 27 HD11 LEU 27 89.321 13.449 10.836 187 HD12 LEU 27 HD12 LEU 27 90.273 12.019 10.433 188 HD13 LEU 27 HD13 LEU 27 89.228 12.756 9.217 189 HD21 LEU 27 HD21 LEU 27 91.771 13.841 11.621 190 HD22 LEU 27 HD22 LEU 27 91.013 15.357 11.131 191 HD23 LEU 27 HD23 LEU 27 92.626 14.949 10.547 192 H ASN 28 HN ASN 28 93.956 11.950 6.621 193 HA ASN 28 HA ASN 28 96.152 11.341 6.040 194 HB2 ASN 28 HB2 ASN 28 96.701 13.850 6.485 195 HB3 ASN 28 HB1 ASN 28 97.328 13.279 8.028 196 HD21 ASN 28 HD21 ASN 28 97.953 10.633 6.553 197 HD22 ASN 28 HD22 ASN 28 99.430 10.952 5.785 198 H ARG 29 HN ARG 29 94.555 10.780 8.820 199 HA ARG 29 HA ARG 29 96.799 9.583 10.257 200 HB2 ARG 29 HB2 ARG 29 95.166 9.076 11.956 201 HB3 ARG 29 HB1 ARG 29 95.136 10.781 11.565 202 HG2 ARG 29 HG2 ARG 29 93.284 10.358 10.056 203 HG3 ARG 29 HG1 ARG 29 93.276 8.669 10.507 204 HD2 ARG 29 HD2 ARG 29 92.699 9.188 12.770 205 HD3 ARG 29 HD1 ARG 29 92.972 10.903 12.491 206 HE ARG 29 HE ARG 29 90.988 10.344 10.691 207 HH11 ARG 29 HH11 ARG 29 88.779 10.350 11.174 208 HH12 ARG 29 HH12 ARG 29 88.262 10.050 12.800 209 HH21 ARG 29 HH21 ARG 29 91.479 9.661 14.034 210 HH22 ARG 29 HH22 ARG 29 89.791 9.662 14.420 211 H ASP 30 HN ASP 30 95.906 7.355 11.250 212 HA ASP 30 HA ASP 30 94.883 5.665 9.036 213 HB2 ASP 30 HB2 ASP 30 97.287 5.108 10.787 214 HB3 ASP 30 HB1 ASP 30 96.504 3.896 9.773 215 H VAL 31 HN VAL 31 93.069 4.812 9.715 216 HA VAL 31 HA VAL 31 92.740 4.153 12.620 217 HB VAL 31 HB VAL 31 90.615 4.495 10.490 218 HG11 VAL 31 HG11 VAL 31 89.872 3.132 12.327 219 HG12 VAL 31 HG12 VAL 31 89.168 4.736 12.527 220 HG13 VAL 31 HG13 VAL 31 90.556 4.254 13.501 221 HG21 VAL 31 HG21 VAL 31 90.221 6.714 11.475 222 HG22 VAL 31 HG22 VAL 31 91.891 6.610 10.918 223 HG23 VAL 31 HG23 VAL 31 91.524 6.453 12.635 224 H THR 32 HN THR 32 91.655 2.167 13.107 225 HA THR 32 HA THR 32 91.667 0.115 10.939 226 HB THR 32 HB THR 32 92.435 -1.192 13.363 227 HG1 THR 32 HG1 THR 32 94.534 0.388 13.130 228 HG21 THR 32 HG21 THR 32 94.359 -0.420 11.166 229 HG22 THR 32 HG22 THR 32 93.117 -1.647 10.913 230 HG23 THR 32 HG23 THR 32 94.349 -1.884 12.150 231 H LEU 33 HN LEU 33 89.835 -1.078 10.960 232 HA LEU 33 HA LEU 33 87.970 -0.784 13.284 233 HB2 LEU 33 HB2 LEU 33 87.581 -1.018 10.306 234 HB3 LEU 33 HB1 LEU 33 86.292 -1.482 11.395 235 HG LEU 33 HG LEU 33 86.281 0.928 10.472 236 HD11 LEU 33 HD11 LEU 33 86.173 0.629 13.479 237 HD12 LEU 33 HD12 LEU 33 84.900 0.100 12.383 238 HD13 LEU 33 HD13 LEU 33 85.328 1.811 12.486 239 HD21 LEU 33 HD21 LEU 33 87.637 2.552 11.514 240 HD22 LEU 33 HD22 LEU 33 88.748 1.268 11.050 241 HD23 LEU 33 HD23 LEU 33 88.223 1.424 12.731 242 H ARG 34 HN ARG 34 88.023 -2.616 14.462 243 HA ARG 34 HA ARG 34 88.948 -5.167 13.603 244 HB2 ARG 34 HB2 ARG 34 88.615 -4.386 16.006 245 HB3 ARG 34 HB1 ARG 34 86.892 -4.643 15.769 246 HG2 ARG 34 HG2 ARG 34 87.566 -6.685 16.707 247 HG3 ARG 34 HG1 ARG 34 87.576 -7.035 14.982 248 HD2 ARG 34 HD2 ARG 34 89.929 -6.950 14.857 249 HD3 ARG 34 HD1 ARG 34 90.069 -6.065 16.360 250 HE ARG 34 HE ARG 34 88.894 -8.674 16.776 251 HH11 ARG 34 HH11 ARG 34 90.178 -10.139 17.931 252 HH12 ARG 34 HH12 ARG 34 91.876 -9.838 18.092 253 HH21 ARG 34 HH21 ARG 34 91.794 -6.876 16.294 254 HH22 ARG 34 HH22 ARG 34 92.791 -7.991 17.168 255 H VAL 35 HN VAL 35 87.983 -6.023 11.794 256 HA VAL 35 HA VAL 35 85.011 -6.432 11.870 257 HB VAL 35 HB VAL 35 85.050 -6.116 9.392 258 HG11 VAL 35 HG11 VAL 35 85.426 -3.586 9.538 259 HG12 VAL 35 HG12 VAL 35 85.902 -3.858 11.216 260 HG13 VAL 35 HG13 VAL 35 84.268 -4.265 10.683 261 HG21 VAL 35 HG21 VAL 35 87.880 -5.199 9.974 262 HG22 VAL 35 HG22 VAL 35 87.032 -4.893 8.460 263 HG23 VAL 35 HG23 VAL 35 87.395 -6.547 8.948 264 H THR 36 HN THR 36 84.656 -7.864 9.665 265 HA THR 36 HA THR 36 86.600 -10.095 9.593 266 HB THR 36 HB THR 36 84.515 -11.657 9.739 267 HG1 THR 36 HG1 THR 36 83.600 -9.373 11.143 268 HG21 THR 36 HG21 THR 36 85.693 -10.224 12.114 269 HG22 THR 36 HG22 THR 36 86.196 -11.769 11.422 270 HG23 THR 36 HG23 THR 36 84.650 -11.637 12.260 271 H GLY 37 HN GLY 37 85.763 -11.645 7.758 272 HA2 GLY 37 HA2 GLY 37 85.198 -9.953 5.467 273 HA3 GLY 37 HA1 GLY 37 85.457 -11.692 5.414 274 H GLU 38 HN GLU 38 83.128 -9.810 7.300 275 HA GLU 38 HA GLU 38 80.897 -10.939 5.701 276 HB2 GLU 38 HB2 GLU 38 79.797 -11.881 7.556 277 HB3 GLU 38 HB1 GLU 38 81.466 -12.393 7.746 278 HG2 GLU 38 HG2 GLU 38 81.095 -11.606 9.899 279 HG3 GLU 38 HG1 GLU 38 81.616 -10.102 9.142 280 H VAL 39 HN VAL 39 82.380 -8.291 6.935 281 HA VAL 39 HA VAL 39 79.941 -6.899 7.833 282 HB VAL 39 HB VAL 39 81.356 -5.151 8.526 283 HG11 VAL 39 HG11 VAL 39 83.141 -7.550 8.821 284 HG12 VAL 39 HG12 VAL 39 81.588 -7.453 9.648 285 HG13 VAL 39 HG13 VAL 39 82.838 -6.259 9.985 286 HG21 VAL 39 HG21 VAL 39 83.786 -5.073 7.834 287 HG22 VAL 39 HG22 VAL 39 82.658 -4.741 6.532 288 HG23 VAL 39 HG23 VAL 39 83.425 -6.328 6.652 289 H HIS 40 HN HIS 40 78.784 -5.516 6.552 290 HA HIS 40 HA HIS 40 79.445 -5.393 3.708 291 HB2 HIS 40 HB2 HIS 40 77.361 -3.623 4.974 292 HB3 HIS 40 HB1 HIS 40 77.333 -4.443 3.411 293 HD1 HIS 40 HD1 HIS 40 77.146 -7.161 3.569 294 HD2 HIS 40 HD2 HIS 40 76.077 -5.031 6.988 295 HE1 HIS 40 HE1 HIS 40 75.809 -8.753 5.015 296 H ILE 41 HN ILE 41 80.227 -3.546 2.579 297 HA ILE 41 HA ILE 41 82.086 -1.859 3.819 298 HB ILE 41 HB ILE 41 80.324 -1.151 1.459 299 HG12 ILE 41 HG12 ILE 41 83.126 -2.303 1.424 300 HG13 ILE 41 HG11 ILE 41 81.676 -3.306 1.323 301 HG21 ILE 41 HG21 ILE 41 82.894 0.001 2.552 302 HG22 ILE 41 HG22 ILE 41 81.386 0.845 2.194 303 HG23 ILE 41 HG23 ILE 41 82.397 0.240 0.876 304 HD11 ILE 41 HD11 ILE 41 82.006 -0.949 -0.524 305 HD12 ILE 41 HD12 ILE 41 81.029 -2.402 -0.735 306 HD13 ILE 41 HD13 ILE 41 82.785 -2.488 -0.896 307 H GLY 42 HN GLY 42 78.702 -1.094 3.029 308 HA2 GLY 42 HA2 GLY 42 78.594 1.474 4.154 309 HA3 GLY 42 HA1 GLY 42 77.212 0.392 4.068 310 H GLY 43 HN GLY 43 79.054 -1.536 5.604 311 HA2 GLY 43 HA2 GLY 43 78.084 -0.744 8.272 312 HA3 GLY 43 HA1 GLY 43 78.875 -2.265 7.852 313 H VAL 44 HN VAL 44 81.035 -0.760 6.431 314 HA VAL 44 HA VAL 44 82.780 -0.389 8.760 315 HB VAL 44 HB VAL 44 83.208 -0.292 5.761 316 HG11 VAL 44 HG11 VAL 44 85.679 -0.136 6.394 317 HG12 VAL 44 HG12 VAL 44 85.144 0.359 8.000 318 HG13 VAL 44 HG13 VAL 44 84.749 1.349 6.595 319 HG21 VAL 44 HG21 VAL 44 82.936 -2.476 7.044 320 HG22 VAL 44 HG22 VAL 44 84.443 -2.077 7.868 321 HG23 VAL 44 HG23 VAL 44 84.430 -2.317 6.121 322 H MET 45 HN MET 45 81.664 1.713 6.032 323 HA MET 45 HA MET 45 82.929 4.067 6.978 324 HB2 MET 45 HB2 MET 45 80.850 5.224 5.882 325 HB3 MET 45 HB1 MET 45 81.986 4.372 4.861 326 HG2 MET 45 HG2 MET 45 80.368 2.956 4.156 327 HG3 MET 45 HG1 MET 45 79.952 2.505 5.794 328 HE1 MET 45 HE1 MET 45 78.798 3.413 2.783 329 HE2 MET 45 HE2 MET 45 77.645 4.738 2.842 330 HE3 MET 45 HE3 MET 45 77.167 3.146 3.415 331 H LEU 46 HN LEU 46 79.803 2.615 7.840 332 HA LEU 46 HA LEU 46 78.758 4.638 9.481 333 HB2 LEU 46 HB2 LEU 46 77.572 2.525 9.018 334 HB3 LEU 46 HB1 LEU 46 78.736 1.644 9.999 335 HG LEU 46 HG LEU 46 77.483 3.957 11.404 336 HD11 LEU 46 HD11 LEU 46 75.424 2.376 11.890 337 HD12 LEU 46 HD12 LEU 46 75.806 1.718 10.298 338 HD13 LEU 46 HD13 LEU 46 75.421 3.429 10.480 339 HD21 LEU 46 HD21 LEU 46 77.798 1.021 12.134 340 HD22 LEU 46 HD22 LEU 46 77.343 2.318 13.238 341 HD23 LEU 46 HD23 LEU 46 78.954 2.293 12.526 342 H LYS 47 HN LYS 47 80.816 1.934 10.587 343 HA LYS 47 HA LYS 47 81.213 2.822 13.208 344 HB2 LYS 47 HB2 LYS 47 83.269 1.442 11.474 345 HB3 LYS 47 HB1 LYS 47 83.203 1.438 13.241 346 HG2 LYS 47 HG2 LYS 47 81.085 0.263 13.214 347 HG3 LYS 47 HG1 LYS 47 81.012 0.383 11.462 348 HD2 LYS 47 HD2 LYS 47 83.112 -0.961 11.316 349 HD3 LYS 47 HD1 LYS 47 83.056 -1.166 13.068 350 HE2 LYS 47 HE2 LYS 47 80.789 -1.970 11.229 351 HE3 LYS 47 HE1 LYS 47 82.056 -3.081 11.748 352 HZ1 LYS 47 HZ1 LYS 47 80.982 -3.382 13.641 353 HZ2 LYS 47 HZ2 LYS 47 79.747 -2.335 13.129 354 HZ3 LYS 47 HZ3 LYS 47 81.075 -1.727 13.996 355 H LEU 48 HN LEU 48 83.423 3.539 10.424 356 HA LEU 48 HA LEU 48 85.228 5.206 11.736 357 HB2 LEU 48 HB2 LEU 48 84.093 5.229 8.964 358 HB3 LEU 48 HB1 LEU 48 84.975 6.659 9.463 359 HG LEU 48 HG LEU 48 86.458 5.101 8.307 360 HD11 LEU 48 HD11 LEU 48 88.263 5.262 9.719 361 HD12 LEU 48 HD12 LEU 48 87.339 4.806 11.144 362 HD13 LEU 48 HD13 LEU 48 87.169 6.424 10.472 363 HD21 LEU 48 HD21 LEU 48 86.924 2.889 9.303 364 HD22 LEU 48 HD22 LEU 48 85.254 3.060 8.750 365 HD23 LEU 48 HD23 LEU 48 85.629 3.174 10.470 366 H VAL 49 HN VAL 49 82.311 6.421 10.106 367 HA VAL 49 HA VAL 49 82.373 9.024 11.144 368 HB VAL 49 HB VAL 49 79.981 7.286 10.489 369 HG11 VAL 49 HG11 VAL 49 79.423 9.353 11.839 370 HG12 VAL 49 HG12 VAL 49 78.728 9.343 10.221 371 HG13 VAL 49 HG13 VAL 49 80.161 10.306 10.556 372 HG21 VAL 49 HG21 VAL 49 80.154 8.318 8.288 373 HG22 VAL 49 HG22 VAL 49 81.713 7.592 8.706 374 HG23 VAL 49 HG23 VAL 49 81.480 9.346 8.844 375 H GLU 50 HN GLU 50 80.700 6.158 12.563 376 HA GLU 50 HA GLU 50 79.592 7.362 14.815 377 HB2 GLU 50 HB2 GLU 50 80.963 4.681 14.573 378 HB3 GLU 50 HB1 GLU 50 80.124 5.186 16.031 379 HG2 GLU 50 HG2 GLU 50 78.823 5.180 13.298 380 HG3 GLU 50 HG1 GLU 50 78.724 3.821 14.417 381 H LYS 51 HN LYS 51 82.989 6.417 14.355 382 HA LYS 51 HA LYS 51 83.834 7.147 17.007 383 HB2 LYS 51 HB2 LYS 51 85.386 6.943 14.408 384 HB3 LYS 51 HB1 LYS 51 86.107 7.059 16.011 385 HG2 LYS 51 HG2 LYS 51 85.188 4.953 16.680 386 HG3 LYS 51 HG1 LYS 51 84.148 4.874 15.264 387 HD2 LYS 51 HD2 LYS 51 86.049 4.621 13.800 388 HD3 LYS 51 HD1 LYS 51 87.159 4.848 15.143 389 HE2 LYS 51 HE2 LYS 51 86.920 2.463 14.711 390 HE3 LYS 51 HE1 LYS 51 86.169 2.873 16.246 391 HZ1 LYS 51 HZ1 LYS 51 84.861 1.416 14.645 392 HZ2 LYS 51 HZ2 LYS 51 84.589 2.847 13.770 393 HZ3 LYS 51 HZ3 LYS 51 84.055 2.715 15.377 394 H LEU 52 HN LEU 52 84.352 8.843 13.884 395 HA LEU 52 HA LEU 52 84.717 11.403 15.369 396 HB2 LEU 52 HB2 LEU 52 86.483 10.350 13.781 397 HB3 LEU 52 HB1 LEU 52 85.351 10.829 12.516 398 HG LEU 52 HG LEU 52 85.432 13.159 13.376 399 HD11 LEU 52 HD11 LEU 52 87.176 11.860 15.414 400 HD12 LEU 52 HD12 LEU 52 86.094 13.242 15.570 401 HD13 LEU 52 HD13 LEU 52 87.687 13.455 14.855 402 HD21 LEU 52 HD21 LEU 52 87.399 13.721 12.221 403 HD22 LEU 52 HD22 LEU 52 87.059 12.114 11.584 404 HD23 LEU 52 HD23 LEU 52 88.277 12.325 12.840 405 H ASP 53 HN ASP 53 82.184 10.444 14.879 406 HA ASP 53 HA ASP 53 80.812 11.162 12.590 407 HB2 ASP 53 HB2 ASP 53 79.714 9.965 14.410 408 HB3 ASP 53 HB1 ASP 53 79.878 11.363 15.452 409 H VAL 54 HN VAL 54 80.246 13.004 15.369 410 HA VAL 54 HA VAL 54 79.769 15.268 15.592 411 HB VAL 54 HB VAL 54 82.185 15.059 15.968 412 HG11 VAL 54 HG11 VAL 54 83.065 14.318 13.903 413 HG12 VAL 54 HG12 VAL 54 83.682 15.953 14.102 414 HG13 VAL 54 HG13 VAL 54 82.335 15.652 13.018 415 HG21 VAL 54 HG21 VAL 54 82.598 17.372 16.027 416 HG22 VAL 54 HG22 VAL 54 80.838 17.305 15.976 417 HG23 VAL 54 HG23 VAL 54 81.751 17.664 14.510 418 H LYS 55 HN LYS 55 79.952 17.521 14.294 419 HA LYS 55 HA LYS 55 78.267 17.067 11.964 420 HB2 LYS 55 HB2 LYS 55 78.914 19.281 13.737 421 HB3 LYS 55 HB1 LYS 55 79.036 19.818 12.071 422 HG2 LYS 55 HG2 LYS 55 76.588 18.221 12.755 423 HG3 LYS 55 HG1 LYS 55 76.694 19.817 13.452 424 HD2 LYS 55 HD2 LYS 55 77.067 20.796 11.217 425 HD3 LYS 55 HD1 LYS 55 76.943 19.194 10.499 426 HE2 LYS 55 HE2 LYS 55 74.765 20.028 10.241 427 HE3 LYS 55 HE1 LYS 55 74.631 19.101 11.733 428 HZ1 LYS 55 HZ1 LYS 55 74.013 21.735 11.419 429 HZ2 LYS 55 HZ2 LYS 55 75.525 21.774 12.193 430 HZ3 LYS 55 HZ3 LYS 55 74.229 20.931 12.896 431 H LYS 56 HN LYS 56 81.028 16.041 11.869 432 HA LYS 56 HA LYS 56 82.434 17.825 9.996 433 HB2 LYS 56 HB2 LYS 56 83.802 16.439 11.400 434 HB3 LYS 56 HB1 LYS 56 82.975 14.974 10.870 435 HG2 LYS 56 HG2 LYS 56 83.993 15.009 8.759 436 HG3 LYS 56 HG1 LYS 56 84.325 16.739 8.831 437 HD2 LYS 56 HD2 LYS 56 86.052 16.387 10.513 438 HD3 LYS 56 HD1 LYS 56 85.677 14.668 10.590 439 HE2 LYS 56 HE2 LYS 56 86.802 16.170 8.208 440 HE3 LYS 56 HE1 LYS 56 87.644 14.979 9.195 441 HZ1 LYS 56 HZ1 LYS 56 86.832 13.385 7.922 442 HZ2 LYS 56 HZ2 LYS 56 86.044 14.535 6.952 443 HZ3 LYS 56 HZ3 LYS 56 85.245 13.853 8.287 444 H ASP 57 HN ASP 57 82.415 17.699 7.804 445 HA ASP 57 HA ASP 57 80.218 16.671 6.411 446 HB2 ASP 57 HB2 ASP 57 82.033 18.280 5.588 447 HB3 ASP 57 HB1 ASP 57 82.961 16.851 5.159 448 H TRP 58 HN TRP 58 79.591 14.579 6.358 449 HA TRP 58 HA TRP 58 81.636 12.505 5.808 450 HB2 TRP 58 HB2 TRP 58 79.254 12.437 7.642 451 HB3 TRP 58 HB1 TRP 58 80.080 10.991 7.121 452 HD1 TRP 58 HD1 TRP 58 79.890 12.843 10.017 453 HE1 TRP 58 HE1 TRP 58 82.064 12.944 11.381 454 HE3 TRP 58 HE3 TRP 58 83.317 11.364 6.461 455 HZ2 TRP 58 HZ2 TRP 58 84.844 12.529 11.025 456 HZ3 TRP 58 HZ3 TRP 58 85.705 11.252 7.029 457 HH2 TRP 58 HH2 TRP 58 86.480 11.822 9.308 458 H SER 59 HN SER 59 78.574 13.852 5.103 459 HA SER 59 HA SER 59 77.012 11.948 3.922 460 HB2 SER 59 HB2 SER 59 76.614 14.438 3.893 461 HB3 SER 59 HB1 SER 59 77.721 14.546 2.533 462 HG SER 59 HG SER 59 75.805 12.603 2.263 463 H ASP 60 HN ASP 60 79.676 13.562 2.198 464 HA ASP 60 HA ASP 60 79.476 11.729 -0.074 465 HB2 ASP 60 HB2 ASP 60 80.034 14.057 -0.421 466 HB3 ASP 60 HB1 ASP 60 81.383 13.922 0.708 467 H HIS 61 HN HIS 61 80.538 11.020 2.844 468 HA HIS 61 HA HIS 61 83.249 10.187 2.396 469 HB2 HIS 61 HB2 HIS 61 83.183 9.235 4.539 470 HB3 HIS 61 HB1 HIS 61 82.103 10.604 4.638 471 HD1 HIS 61 HD1 HIS 61 79.910 10.082 5.683 472 HD2 HIS 61 HD2 HIS 61 81.526 6.712 3.852 473 HE1 HIS 61 HE1 HIS 61 78.313 8.187 6.143 474 H ALA 62 HN ALA 62 84.109 8.167 2.084 475 HA ALA 62 HA ALA 62 82.545 5.773 1.751 476 HB1 ALA 62 HB1 ALA 62 83.218 5.649 -0.800 477 HB2 ALA 62 HB2 ALA 62 83.242 7.409 -0.677 478 HB3 ALA 62 HB3 ALA 62 81.759 6.521 -0.327 479 H LEU 63 HN LEU 63 83.988 3.930 1.275 480 HA LEU 63 HA LEU 63 86.825 4.563 1.926 481 HB2 LEU 63 HB2 LEU 63 85.334 1.916 1.762 482 HB3 LEU 63 HB1 LEU 63 87.042 2.058 2.123 483 HG LEU 63 HG LEU 63 85.591 1.765 4.120 484 HD11 LEU 63 HD11 LEU 63 86.852 4.485 4.248 485 HD12 LEU 63 HD12 LEU 63 87.839 3.039 4.069 486 HD13 LEU 63 HD13 LEU 63 86.805 3.234 5.482 487 HD21 LEU 63 HD21 LEU 63 84.063 3.397 4.830 488 HD22 LEU 63 HD22 LEU 63 83.735 3.240 3.105 489 HD23 LEU 63 HD23 LEU 63 84.680 4.602 3.706 490 H TRP 64 HN TRP 64 88.515 3.902 0.507 491 HA TRP 64 HA TRP 64 87.650 3.066 -2.257 492 HB2 TRP 64 HB2 TRP 64 88.384 5.067 -3.047 493 HB3 TRP 64 HB1 TRP 64 88.754 5.568 -1.420 494 HD1 TRP 64 HD1 TRP 64 91.335 4.122 -0.685 495 HE1 TRP 64 HE1 TRP 64 93.516 4.445 -2.010 496 HE3 TRP 64 HE3 TRP 64 89.437 5.884 -5.085 497 HZ2 TRP 64 HZ2 TRP 64 94.354 5.372 -4.580 498 HZ3 TRP 64 HZ3 TRP 64 90.952 6.501 -6.945 499 HH2 TRP 64 HH2 TRP 64 93.406 6.250 -6.698 500 H TRP 65 HN TRP 65 89.179 1.764 -3.404 501 HA TRP 65 HA TRP 65 91.195 0.437 -1.620 502 HB2 TRP 65 HB2 TRP 65 89.214 -0.914 -2.558 503 HB3 TRP 65 HB1 TRP 65 89.996 -0.754 -4.126 504 HD1 TRP 65 HD1 TRP 65 92.888 -0.913 -2.095 505 HE1 TRP 65 HE1 TRP 65 93.761 -3.299 -1.754 506 HE3 TRP 65 HE3 TRP 65 88.760 -3.581 -3.513 507 HZ2 TRP 65 HZ2 TRP 65 92.849 -5.990 -2.041 508 HZ3 TRP 65 HZ3 TRP 65 88.801 -6.058 -3.469 509 HH2 TRP 65 HH2 TRP 65 90.838 -7.265 -2.736 510 H GLU 66 HN GLU 66 92.989 1.769 -2.154 511 HA GLU 66 HA GLU 66 93.649 2.733 -4.719 512 HB2 GLU 66 HB2 GLU 66 96.022 2.764 -3.865 513 HB3 GLU 66 HB1 GLU 66 94.839 3.563 -2.838 514 HG2 GLU 66 HG2 GLU 66 94.665 1.509 -1.462 515 HG3 GLU 66 HG1 GLU 66 95.887 0.753 -2.476 516 H LYS 67 HN LYS 67 93.973 -0.528 -3.481 517 HA LYS 67 HA LYS 67 95.953 -1.349 -5.435 518 HB2 LYS 67 HB2 LYS 67 93.801 -3.110 -4.230 519 HB3 LYS 67 HB1 LYS 67 95.356 -3.619 -4.876 520 HG2 LYS 67 HG2 LYS 67 94.947 -1.898 -2.416 521 HG3 LYS 67 HG1 LYS 67 95.397 -3.601 -2.418 522 HD2 LYS 67 HD2 LYS 67 97.399 -2.864 -3.883 523 HD3 LYS 67 HD1 LYS 67 97.010 -1.230 -3.343 524 HE2 LYS 67 HE2 LYS 67 98.504 -1.853 -1.674 525 HE3 LYS 67 HE1 LYS 67 96.993 -2.399 -0.942 526 HZ1 LYS 67 HZ1 LYS 67 99.028 -3.995 -1.146 527 HZ2 LYS 67 HZ2 LYS 67 98.445 -4.223 -2.726 528 HZ3 LYS 67 HZ3 LYS 67 97.453 -4.575 -1.392 529 H LYS 68 HN LYS 68 92.820 -0.290 -5.559 530 HA LYS 68 HA LYS 68 92.388 -1.364 -8.304 531 HB2 LYS 68 HB2 LYS 68 90.054 -0.859 -6.465 532 HB3 LYS 68 HB1 LYS 68 90.168 -1.947 -7.845 533 HG2 LYS 68 HG2 LYS 68 91.742 -2.437 -5.294 534 HG3 LYS 68 HG1 LYS 68 90.108 -3.023 -5.518 535 HD2 LYS 68 HD2 LYS 68 90.710 -4.396 -7.350 536 HD3 LYS 68 HD1 LYS 68 92.257 -3.575 -7.554 537 HE2 LYS 68 HE2 LYS 68 93.246 -4.715 -5.801 538 HE3 LYS 68 HE1 LYS 68 91.735 -4.909 -4.916 539 HZ1 LYS 68 HZ1 LYS 68 91.030 -6.540 -6.546 540 HZ2 LYS 68 HZ2 LYS 68 92.504 -7.004 -5.840 541 HZ3 LYS 68 HZ3 LYS 68 92.478 -6.348 -7.407 542 H ARG 69 HN ARG 69 92.550 1.299 -6.168 543 HA ARG 69 HA ARG 69 92.000 3.567 -6.429 544 HB2 ARG 69 HB2 ARG 69 92.383 2.695 -9.314 545 HB3 ARG 69 HB1 ARG 69 92.017 4.358 -8.878 546 HG2 ARG 69 HG2 ARG 69 94.347 4.427 -8.941 547 HG3 ARG 69 HG1 ARG 69 94.078 4.083 -7.236 548 HD2 ARG 69 HD2 ARG 69 95.727 2.521 -7.915 549 HD3 ARG 69 HD1 ARG 69 94.222 1.608 -7.890 550 HE ARG 69 HE ARG 69 94.847 2.780 -10.496 551 HH11 ARG 69 HH11 ARG 69 95.255 1.283 -12.139 552 HH12 ARG 69 HH12 ARG 69 95.540 -0.376 -11.730 553 HH21 ARG 69 HH21 ARG 69 95.187 0.128 -8.319 554 HH22 ARG 69 HH22 ARG 69 95.502 -1.030 -9.568 555 H THR 70 HN THR 70 89.888 1.910 -5.896 556 HA THR 70 HA THR 70 87.703 2.828 -7.745 557 HB THR 70 HB THR 70 88.188 0.333 -7.348 558 HG1 THR 70 HG1 THR 70 86.277 0.871 -8.259 559 HG21 THR 70 HG21 THR 70 86.610 0.691 -4.825 560 HG22 THR 70 HG22 THR 70 88.370 0.791 -4.789 561 HG23 THR 70 HG23 THR 70 87.582 -0.688 -5.339 562 H TRP 71 HN TRP 71 85.556 2.580 -6.286 563 HA TRP 71 HA TRP 71 85.944 4.131 -3.770 564 HB2 TRP 71 HB2 TRP 71 83.499 4.981 -4.559 565 HB3 TRP 71 HB1 TRP 71 84.969 5.833 -5.000 566 HD1 TRP 71 HD1 TRP 71 82.943 2.863 -6.485 567 HE1 TRP 71 HE1 TRP 71 82.916 3.110 -9.004 568 HE3 TRP 71 HE3 TRP 71 85.745 7.102 -6.967 569 HZ2 TRP 71 HZ2 TRP 71 83.935 4.877 -11.025 570 HZ3 TRP 71 HZ3 TRP 71 86.200 8.046 -9.214 571 HH2 TRP 71 HH2 TRP 71 85.299 6.939 -11.242 572 H LEU 72 HN LEU 72 85.629 2.448 -2.393 573 HA LEU 72 HA LEU 72 84.012 0.213 -2.973 574 HB2 LEU 72 HB2 LEU 72 84.833 1.314 -0.302 575 HB3 LEU 72 HB1 LEU 72 84.241 -0.316 -0.577 576 HG LEU 72 HG LEU 72 86.608 0.832 -2.056 577 HD11 LEU 72 HD11 LEU 72 87.936 -0.650 -0.410 578 HD12 LEU 72 HD12 LEU 72 86.507 -0.525 0.620 579 HD13 LEU 72 HD13 LEU 72 87.383 0.930 0.138 580 HD21 LEU 72 HD21 LEU 72 85.359 -1.887 -1.797 581 HD22 LEU 72 HD22 LEU 72 87.092 -1.768 -2.085 582 HD23 LEU 72 HD23 LEU 72 85.961 -1.058 -3.233 583 H LEU 73 HN LEU 73 82.102 1.014 -3.773 584 HA LEU 73 HA LEU 73 80.123 1.927 -1.717 585 HB2 LEU 73 HB2 LEU 73 78.826 2.923 -3.635 586 HB3 LEU 73 HB1 LEU 73 80.363 3.720 -3.323 587 HG LEU 73 HG LEU 73 81.212 1.936 -5.177 588 HD11 LEU 73 HD11 LEU 73 78.426 2.604 -6.154 589 HD12 LEU 73 HD12 LEU 73 78.799 1.068 -5.395 590 HD13 LEU 73 HD13 LEU 73 79.606 1.524 -6.894 591 HD21 LEU 73 HD21 LEU 73 79.801 4.569 -5.708 592 HD22 LEU 73 HD22 LEU 73 80.818 3.740 -6.886 593 HD23 LEU 73 HD23 LEU 73 81.513 4.337 -5.385 594 H LYS 74 HN LYS 74 81.246 -0.658 -3.149 595 HA LYS 74 HA LYS 74 78.907 -1.869 -4.352 596 HB2 LYS 74 HB2 LYS 74 81.268 -3.364 -3.207 597 HB3 LYS 74 HB1 LYS 74 80.231 -3.841 -4.537 598 HG2 LYS 74 HG2 LYS 74 81.964 -1.362 -4.706 599 HG3 LYS 74 HG1 LYS 74 82.607 -2.947 -5.075 600 HD2 LYS 74 HD2 LYS 74 81.921 -2.406 -7.204 601 HD3 LYS 74 HD1 LYS 74 80.391 -3.052 -6.640 602 HE2 LYS 74 HE2 LYS 74 79.524 -0.875 -6.276 603 HE3 LYS 74 HE1 LYS 74 81.114 -0.129 -6.396 604 HZ1 LYS 74 HZ1 LYS 74 80.679 0.162 -8.532 605 HZ2 LYS 74 HZ2 LYS 74 79.267 -0.780 -8.453 606 HZ3 LYS 74 HZ3 LYS 74 80.771 -1.519 -8.735 607 H THR 75 HN THR 75 77.777 -1.013 -2.121 608 HA THR 75 HA THR 75 78.027 -2.636 0.211 609 HB THR 75 HB THR 75 75.323 -1.607 -0.638 610 HG1 THR 75 HG1 THR 75 77.665 -0.136 -0.360 611 HG21 THR 75 HG21 THR 75 76.677 -0.962 1.955 612 HG22 THR 75 HG22 THR 75 76.143 -2.626 1.703 613 HG23 THR 75 HG23 THR 75 74.977 -1.305 1.635 614 H HIS 76 HN HIS 76 77.183 -3.457 -2.884 615 HA HIS 76 HA HIS 76 75.070 -5.129 -3.033 616 HB2 HIS 76 HB2 HIS 76 77.859 -5.885 -3.928 617 HB3 HIS 76 HB1 HIS 76 76.357 -6.576 -4.542 618 HD1 HIS 76 HD1 HIS 76 76.393 -2.935 -3.787 619 HD2 HIS 76 HD2 HIS 76 76.915 -5.385 -7.119 620 HE1 HIS 76 HE1 HIS 76 76.275 -1.422 -5.813 621 H TRP 77 HN TRP 77 78.210 -6.494 -1.916 622 HA TRP 77 HA TRP 77 76.623 -8.297 -0.128 623 HB2 TRP 77 HB2 TRP 77 77.676 -9.172 -2.461 624 HB3 TRP 77 HB1 TRP 77 79.051 -9.449 -1.419 625 HD1 TRP 77 HD1 TRP 77 77.475 -10.249 1.224 626 HE1 TRP 77 HE1 TRP 77 76.268 -12.524 1.337 627 HE3 TRP 77 HE3 TRP 77 76.993 -11.240 -3.763 628 HZ2 TRP 77 HZ2 TRP 77 75.230 -14.500 -0.451 629 HZ3 TRP 77 HZ3 TRP 77 75.889 -13.322 -4.529 630 HH2 TRP 77 HH2 TRP 77 75.008 -14.951 -2.881 631 H THR 78 HN THR 78 80.142 -8.757 -0.306 632 HA THR 78 HA THR 78 80.510 -7.010 2.054 633 HB THR 78 HB THR 78 81.549 -9.668 2.688 634 HG1 THR 78 HG1 THR 78 79.335 -10.538 2.901 635 HG21 THR 78 HG21 THR 78 81.145 -8.358 4.560 636 HG22 THR 78 HG22 THR 78 79.708 -9.382 4.531 637 HG23 THR 78 HG23 THR 78 79.611 -7.731 3.943 638 H LEU 79 HN LEU 79 82.862 -8.055 2.975 639 HA LEU 79 HA LEU 79 84.824 -7.044 1.102 640 HB2 LEU 79 HB2 LEU 79 85.030 -8.641 3.657 641 HB3 LEU 79 HB1 LEU 79 86.449 -8.115 2.771 642 HG LEU 79 HG LEU 79 85.863 -5.783 3.110 643 HD11 LEU 79 HD11 LEU 79 83.476 -5.794 2.954 644 HD12 LEU 79 HD12 LEU 79 83.846 -5.292 4.602 645 HD13 LEU 79 HD13 LEU 79 83.341 -6.949 4.282 646 HD21 LEU 79 HD21 LEU 79 85.688 -7.545 5.575 647 HD22 LEU 79 HD22 LEU 79 85.747 -5.783 5.688 648 HD23 LEU 79 HD23 LEU 79 87.090 -6.666 4.960 649 H ASP 80 HN ASP 80 84.270 -10.226 2.532 650 HA ASP 80 HA ASP 80 85.968 -11.870 1.139 651 HB2 ASP 80 HB2 ASP 80 84.268 -12.521 2.859 652 HB3 ASP 80 HB1 ASP 80 83.043 -12.467 1.595 653 H LYS 81 HN LYS 81 82.773 -10.806 -0.019 654 HA LYS 81 HA LYS 81 82.934 -12.233 -2.454 655 HB2 LYS 81 HB2 LYS 81 80.766 -11.611 -2.371 656 HB3 LYS 81 HB1 LYS 81 81.136 -10.380 -1.181 657 HG2 LYS 81 HG2 LYS 81 81.730 -9.855 -4.088 658 HG3 LYS 81 HG1 LYS 81 80.090 -9.701 -3.502 659 HD2 LYS 81 HD2 LYS 81 80.998 -8.190 -1.703 660 HD3 LYS 81 HD1 LYS 81 82.517 -8.189 -2.558 661 HE2 LYS 81 HE2 LYS 81 81.158 -7.476 -4.623 662 HE3 LYS 81 HE1 LYS 81 79.855 -7.140 -3.483 663 HZ1 LYS 81 HZ1 LYS 81 80.874 -5.141 -3.426 664 HZ2 LYS 81 HZ2 LYS 81 82.393 -5.763 -3.866 665 HZ3 LYS 81 HZ3 LYS 81 81.843 -5.908 -2.265 666 H TYR 82 HN TYR 82 84.263 -9.213 -1.439 667 HA TYR 82 HA TYR 82 85.065 -8.455 -4.165 668 HB2 TYR 82 HB2 TYR 82 84.502 -6.993 -1.956 669 HB3 TYR 82 HB1 TYR 82 86.237 -7.136 -1.746 670 HD1 TYR 82 HD1 TYR 82 86.948 -7.208 -4.759 671 HD2 TYR 82 HD2 TYR 82 84.389 -4.659 -2.437 672 HE1 TYR 82 HE1 TYR 82 87.272 -5.388 -6.404 673 HE2 TYR 82 HE2 TYR 82 84.715 -2.839 -4.084 674 HH TYR 82 HH TYR 82 85.355 -2.523 -6.370 675 H GLY 83 HN GLY 83 86.630 -9.511 -1.135 676 HA2 GLY 83 HA2 GLY 83 88.416 -11.246 -1.280 677 HA3 GLY 83 HA1 GLY 83 88.993 -10.449 -2.747 678 H ILE 84 HN ILE 84 87.831 -8.491 -0.180 679 HA ILE 84 HA ILE 84 90.454 -7.237 0.141 680 HB ILE 84 HB ILE 84 87.760 -6.723 1.426 681 HG12 ILE 84 HG12 ILE 84 89.158 -4.907 -0.538 682 HG13 ILE 84 HG11 ILE 84 88.285 -6.313 -1.137 683 HG21 ILE 84 HG21 ILE 84 89.416 -5.892 2.931 684 HG22 ILE 84 HG22 ILE 84 88.853 -4.500 2.013 685 HG23 ILE 84 HG23 ILE 84 90.398 -5.253 1.614 686 HD11 ILE 84 HD11 ILE 84 86.236 -5.564 -0.038 687 HD12 ILE 84 HD12 ILE 84 86.859 -4.269 -1.061 688 HD13 ILE 84 HD13 ILE 84 87.095 -4.204 0.685 689 H GLN 85 HN GLN 85 91.376 -6.893 2.316 690 HA GLN 85 HA GLN 85 90.564 -8.534 4.546 691 HB2 GLN 85 HB2 GLN 85 91.822 -10.047 2.701 692 HB3 GLN 85 HB1 GLN 85 93.246 -9.393 3.501 693 HG2 GLN 85 HG2 GLN 85 92.891 -11.270 4.828 694 HG3 GLN 85 HG1 GLN 85 91.909 -10.101 5.708 695 HE21 GLN 85 HE21 GLN 85 89.681 -9.944 3.970 696 HE22 GLN 85 HE22 GLN 85 88.885 -11.435 3.968 697 H ALA 86 HN ALA 86 93.059 -8.733 5.819 698 HA ALA 86 HA ALA 86 93.479 -5.995 6.662 699 HB1 ALA 86 HB1 ALA 86 94.862 -8.616 7.228 700 HB2 ALA 86 HB2 ALA 86 93.789 -7.708 8.300 701 HB3 ALA 86 HB3 ALA 86 95.406 -7.100 7.946 702 H ASP 87 HN ASP 87 94.997 -8.154 4.406 703 HA ASP 87 HA ASP 87 97.498 -6.737 4.169 704 HB2 ASP 87 HB2 ASP 87 97.470 -8.979 3.430 705 HB3 ASP 87 HB1 ASP 87 95.996 -8.752 2.509 706 H ALA 88 HN ALA 88 94.325 -6.146 3.197 707 HA ALA 88 HA ALA 88 95.110 -4.319 0.975 708 HB1 ALA 88 HB1 ALA 88 92.404 -4.187 1.053 709 HB2 ALA 88 HB2 ALA 88 92.650 -5.750 1.838 710 HB3 ALA 88 HB3 ALA 88 93.263 -5.480 0.211 711 H LYS 89 HN LYS 89 95.618 -2.271 1.679 712 HA LYS 89 HA LYS 89 94.331 -1.239 4.153 713 HB2 LYS 89 HB2 LYS 89 96.383 0.273 2.547 714 HB3 LYS 89 HB1 LYS 89 96.035 0.371 4.270 715 HG2 LYS 89 HG2 LYS 89 97.201 -2.094 2.949 716 HG3 LYS 89 HG1 LYS 89 98.172 -0.826 3.667 717 HD2 LYS 89 HD2 LYS 89 97.488 -1.314 5.846 718 HD3 LYS 89 HD1 LYS 89 96.005 -2.094 5.313 719 HE2 LYS 89 HE2 LYS 89 97.614 -3.768 6.104 720 HE3 LYS 89 HE1 LYS 89 97.298 -3.953 4.379 721 HZ1 LYS 89 HZ1 LYS 89 99.570 -2.364 5.412 722 HZ2 LYS 89 HZ2 LYS 89 99.327 -2.942 3.834 723 HZ3 LYS 89 HZ3 LYS 89 99.701 -4.023 5.090 724 H LEU 90 HN LEU 90 92.562 -0.121 3.994 725 HA LEU 90 HA LEU 90 91.826 1.193 1.436 726 HB2 LEU 90 HB2 LEU 90 90.064 1.045 3.870 727 HB3 LEU 90 HB1 LEU 90 89.599 1.152 2.173 728 HG LEU 90 HG LEU 90 90.878 -1.212 3.548 729 HD11 LEU 90 HD11 LEU 90 88.142 -0.777 2.320 730 HD12 LEU 90 HD12 LEU 90 88.497 -0.984 4.034 731 HD13 LEU 90 HD13 LEU 90 88.736 -2.327 2.916 732 HD21 LEU 90 HD21 LEU 90 90.268 -0.635 0.645 733 HD22 LEU 90 HD22 LEU 90 90.391 -2.289 1.250 734 HD23 LEU 90 HD23 LEU 90 91.780 -1.208 1.352 735 H GLN 91 HN GLN 91 90.510 3.296 1.889 736 HA GLN 91 HA GLN 91 91.925 5.032 3.861 737 HB2 GLN 91 HB2 GLN 91 91.126 5.841 1.048 738 HB3 GLN 91 HB1 GLN 91 92.017 6.818 2.211 739 HG2 GLN 91 HG2 GLN 91 93.978 5.552 1.964 740 HG3 GLN 91 HG1 GLN 91 93.127 4.165 1.311 741 HE21 GLN 91 HE21 GLN 91 92.005 7.093 0.045 742 HE22 GLN 91 HE22 GLN 91 92.823 7.031 -1.434 743 H PHE 92 HN PHE 92 90.559 7.039 4.271 744 HA PHE 92 HA PHE 92 87.655 6.565 3.757 745 HB2 PHE 92 HB2 PHE 92 88.134 5.733 5.969 746 HB3 PHE 92 HB1 PHE 92 88.965 7.213 6.408 747 HD1 PHE 92 HD1 PHE 92 85.643 6.406 4.798 748 HD2 PHE 92 HD2 PHE 92 87.724 8.423 7.968 749 HE1 PHE 92 HE1 PHE 92 83.497 7.265 5.661 750 HE2 PHE 92 HE2 PHE 92 85.575 9.289 8.822 751 HZ PHE 92 HZ PHE 92 83.459 8.723 7.664 752 H THR 93 HN THR 93 87.703 8.149 2.205 753 HA THR 93 HA THR 93 88.486 10.908 3.069 754 HB THR 93 HB THR 93 89.576 10.600 1.046 755 HG1 THR 93 HG1 THR 93 87.114 11.098 -0.179 756 HG21 THR 93 HG21 THR 93 87.268 8.787 0.305 757 HG22 THR 93 HG22 THR 93 88.935 8.321 0.642 758 HG23 THR 93 HG23 THR 93 88.551 9.226 -0.823 759 HA PRO 94 HA PRO 94 84.220 12.119 3.171 760 HB2 PRO 94 HB2 PRO 94 84.378 14.771 2.520 761 HB3 PRO 94 HB1 PRO 94 84.979 14.130 4.061 762 HG2 PRO 94 HG2 PRO 94 86.504 14.763 1.565 763 HG3 PRO 94 HG1 PRO 94 86.895 15.159 3.250 764 HD2 PRO 94 HD2 PRO 94 88.036 13.046 1.977 765 HD3 PRO 94 HD1 PRO 94 87.676 13.011 3.718 766 H TYR 541 HT1 TYR 541 52.371 39.380 6.887 767 HA TYR 541 HA TYR 541 49.674 40.601 6.665 768 HB2 TYR 541 HB2 TYR 541 52.167 41.379 5.148 769 HB3 TYR 541 HB1 TYR 541 50.692 42.314 5.403 770 HD1 TYR 541 HD1 TYR 541 53.986 41.560 6.654 771 HD2 TYR 541 HD2 TYR 541 50.125 43.064 7.786 772 HE1 TYR 541 HE1 TYR 541 54.980 42.585 8.682 773 HE2 TYR 541 HE2 TYR 541 51.120 44.089 9.814 774 HH TYR 541 HH TYR 541 54.400 43.419 10.789 775 H HIS 542 HN HIS 542 52.361 39.541 4.541 776 HA HIS 542 HA HIS 542 50.351 38.335 2.708 777 HB2 HIS 542 HB2 HIS 542 53.233 39.198 2.441 778 HB3 HIS 542 HB1 HIS 542 52.486 38.151 1.243 779 HD1 HIS 542 HD1 HIS 542 49.900 40.274 2.515 780 HD2 HIS 542 HD2 HIS 542 52.955 40.771 -0.277 781 HE1 HIS 542 HE1 HIS 542 49.264 42.280 1.106 782 H GLU 543 HN GLU 543 53.649 37.458 3.821 783 HA GLU 543 HA GLU 543 52.971 34.596 3.504 784 HB2 GLU 543 HB2 GLU 543 55.416 34.327 4.202 785 HB3 GLU 543 HB1 GLU 543 55.137 35.189 2.687 786 HG2 GLU 543 HG2 GLU 543 55.523 37.308 3.696 787 HG3 GLU 543 HG1 GLU 543 55.394 36.643 5.325 788 H ARG 544 HN ARG 544 52.527 36.819 5.909 789 HA ARG 544 HA ARG 544 52.373 36.715 8.247 790 HB2 ARG 544 HB2 ARG 544 51.383 34.071 7.219 791 HB3 ARG 544 HB1 ARG 544 51.264 34.497 8.922 792 HG2 ARG 544 HG2 ARG 544 49.183 35.115 7.849 793 HG3 ARG 544 HG1 ARG 544 50.052 36.586 8.255 794 HD2 ARG 544 HD2 ARG 544 50.552 37.077 6.052 795 HD3 ARG 544 HD1 ARG 544 50.552 35.396 5.545 796 HE ARG 544 HE ARG 544 48.351 37.259 5.408 797 HH11 ARG 544 HH11 ARG 544 46.229 36.589 5.141 798 HH12 ARG 544 HH12 ARG 544 45.816 34.929 5.412 799 HH21 ARG 544 HH21 ARG 544 49.045 33.977 6.228 800 HH22 ARG 544 HH22 ARG 544 47.407 33.454 6.026 801 H ARG 545 HN ARG 545 52.768 34.746 10.100 802 HA ARG 545 HA ARG 545 55.630 34.587 10.245 803 HB2 ARG 545 HB2 ARG 545 53.424 33.265 11.851 804 HB3 ARG 545 HB1 ARG 545 55.131 33.150 12.252 805 HG2 ARG 545 HG2 ARG 545 54.262 34.955 13.557 806 HG3 ARG 545 HG1 ARG 545 55.221 35.661 12.273 807 HD2 ARG 545 HD2 ARG 545 53.368 36.475 11.129 808 HD3 ARG 545 HD1 ARG 545 52.277 35.261 11.782 809 HE ARG 545 HE ARG 545 52.780 37.902 12.830 810 HH11 ARG 545 HH11 ARG 545 52.266 38.487 14.929 811 HH12 ARG 545 HH12 ARG 545 51.906 37.260 16.096 812 HH21 ARG 545 HH21 ARG 545 52.343 34.638 13.875 813 HH22 ARG 545 HH22 ARG 545 51.949 35.086 15.501 814 H GLY 546 HN GLY 546 54.819 31.647 11.372 815 HA2 GLY 546 HA2 GLY 546 54.666 30.090 8.933 816 HA3 GLY 546 HA1 GLY 546 56.309 30.126 9.572 817 H SER 547 HN SER 547 56.759 29.044 11.535 818 HA SER 547 HA SER 547 54.684 27.871 13.182 819 HB2 SER 547 HB2 SER 547 55.924 26.281 10.969 820 HB3 SER 547 HB1 SER 547 55.649 25.463 12.505 821 HG SER 547 HG SER 547 53.802 25.252 11.290 822 H LEU 548 HN LEU 548 55.709 27.931 15.156 823 HA LEU 548 HA LEU 548 58.499 28.317 15.411 824 HB2 LEU 548 HB2 LEU 548 56.226 27.813 17.233 825 HB3 LEU 548 HB1 LEU 548 57.778 27.290 17.874 826 HG LEU 548 HG LEU 548 58.674 29.600 17.266 827 HD11 LEU 548 HD11 LEU 548 55.745 29.997 16.685 828 HD12 LEU 548 HD12 LEU 548 57.135 30.430 15.697 829 HD13 LEU 548 HD13 LEU 548 56.778 31.347 17.152 830 HD21 LEU 548 HD21 LEU 548 57.911 30.588 19.270 831 HD22 LEU 548 HD22 LEU 548 57.848 28.852 19.571 832 HD23 LEU 548 HD23 LEU 548 56.369 29.736 19.198 833 H CYS 549 HN CYS 549 60.221 26.937 15.591 834 HA CYS 549 HA CYS 549 59.710 24.082 15.067 835 HB2 CYS 549 HB2 CYS 549 61.607 24.869 13.904 836 HB3 CYS 549 HB1 CYS 549 62.132 25.873 15.242 837 H SER 550 HN SER 550 58.912 23.144 16.875 838 HA SER 550 HA SER 550 59.286 23.902 19.523 839 HB2 SER 550 HB2 SER 550 57.606 22.316 19.083 840 HB3 SER 550 HB1 SER 550 58.734 21.172 18.366 841 HG SER 550 HG SER 550 58.923 22.074 21.045 842 H GLY 551 HN GLY 551 60.891 23.905 20.847 843 HA2 GLY 551 HA2 GLY 551 62.838 22.784 21.914 844 HA3 GLY 551 HA1 GLY 551 63.300 22.201 20.309 845 H CYS 552 HN CYS 552 62.555 24.583 18.952 846 HA CYS 552 HA CYS 552 64.813 26.385 19.718 847 HB2 CYS 552 HB2 CYS 552 63.395 25.666 17.163 848 HB3 CYS 552 HB1 CYS 552 64.215 27.214 17.289 849 H GLN 553 HN GLN 553 61.416 26.127 18.897 850 HA GLN 553 HA GLN 553 59.668 27.588 19.061 851 HB2 GLN 553 HB2 GLN 553 61.329 28.624 21.341 852 HB3 GLN 553 HB1 GLN 553 59.659 29.104 21.029 853 HG2 GLN 553 HG2 GLN 553 60.546 26.238 21.363 854 HG3 GLN 553 HG1 GLN 553 59.878 27.204 22.664 855 HE21 GLN 553 HE21 GLN 553 59.125 25.739 19.530 856 HE22 GLN 553 HE22 GLN 553 57.438 25.749 19.726 857 H LYS 554 HN LYS 554 60.935 28.163 17.044 858 HA LYS 554 HA LYS 554 60.932 31.117 16.866 859 HB2 LYS 554 HB2 LYS 554 63.079 29.330 15.694 860 HB3 LYS 554 HB1 LYS 554 62.897 31.038 15.319 861 HG2 LYS 554 HG2 LYS 554 63.350 29.936 18.104 862 HG3 LYS 554 HG1 LYS 554 64.622 30.587 17.077 863 HD2 LYS 554 HD2 LYS 554 63.028 32.698 16.947 864 HD3 LYS 554 HD1 LYS 554 62.350 32.025 18.427 865 HE2 LYS 554 HE2 LYS 554 64.051 33.492 19.173 866 HE3 LYS 554 HE1 LYS 554 64.780 31.889 19.272 867 HZ1 LYS 554 HZ1 LYS 554 65.151 32.947 16.685 868 HZ2 LYS 554 HZ2 LYS 554 66.324 32.503 17.832 869 HZ3 LYS 554 HZ3 LYS 554 65.689 34.079 17.828 870 HA PRO 555 HA PRO 555 57.979 29.776 13.691 871 HB2 PRO 555 HB2 PRO 555 58.861 32.228 12.275 872 HB3 PRO 555 HB1 PRO 555 57.230 31.693 12.688 873 HG2 PRO 555 HG2 PRO 555 58.565 33.678 14.048 874 HG3 PRO 555 HG1 PRO 555 57.296 32.686 14.773 875 HD2 PRO 555 HD2 PRO 555 60.190 32.671 15.343 876 HD3 PRO 555 HD1 PRO 555 58.869 31.917 16.270 877 H ILE 556 HN ILE 556 58.178 28.472 12.031 878 HA ILE 556 HA ILE 556 60.776 28.200 10.632 879 HB ILE 556 HB ILE 556 58.243 26.526 10.727 880 HG12 ILE 556 HG12 ILE 556 60.977 25.648 11.651 881 HG13 ILE 556 HG11 ILE 556 60.021 26.666 12.706 882 HG21 ILE 556 HG21 ILE 556 59.172 26.186 8.562 883 HG22 ILE 556 HG22 ILE 556 59.726 24.836 9.550 884 HG23 ILE 556 HG23 ILE 556 60.819 26.168 9.192 885 HD11 ILE 556 HD11 ILE 556 58.505 24.996 13.163 886 HD12 ILE 556 HD12 ILE 556 59.839 23.953 12.694 887 HD13 ILE 556 HD13 ILE 556 58.576 24.335 11.529 888 H THR 557 HN THR 557 60.755 29.873 9.087 889 HA THR 557 HA THR 557 58.331 30.202 7.390 890 HB THR 557 HB THR 557 59.149 32.339 6.870 891 HG1 THR 557 HG1 THR 557 61.176 32.448 6.383 892 HG21 THR 557 HG21 THR 557 60.304 31.841 9.618 893 HG22 THR 557 HG22 THR 557 58.567 31.893 9.317 894 HG23 THR 557 HG23 THR 557 59.560 33.321 9.011 895 H GLY 558 HN GLY 558 58.522 28.411 6.054 896 HA2 GLY 558 HA2 GLY 558 59.548 28.583 3.547 897 HA3 GLY 558 HA1 GLY 558 60.932 27.946 4.449 898 H ARG 559 HN ARG 559 60.853 25.863 5.231 899 HA ARG 559 HA ARG 559 58.491 24.191 4.464 900 HB2 ARG 559 HB2 ARG 559 61.467 23.705 4.433 901 HB3 ARG 559 HB1 ARG 559 60.387 22.336 4.684 902 HG2 ARG 559 HG2 ARG 559 59.857 24.244 2.415 903 HG3 ARG 559 HG1 ARG 559 61.105 23.016 2.235 904 HD2 ARG 559 HD2 ARG 559 59.576 21.245 2.402 905 HD3 ARG 559 HD1 ARG 559 58.367 22.234 3.221 906 HE ARG 559 HE ARG 559 58.613 23.417 0.727 907 HH11 ARG 559 HH11 ARG 559 57.338 22.810 -1.034 908 HH12 ARG 559 HH12 ARG 559 56.654 21.220 -1.086 909 HH21 ARG 559 HH21 ARG 559 58.017 20.248 1.951 910 HH22 ARG 559 HH22 ARG 559 57.038 19.769 0.605 911 H CYS 560 HN CYS 560 57.852 22.618 6.084 912 HA CYS 560 HA CYS 560 59.213 22.838 8.707 913 HB2 CYS 560 HB2 CYS 560 57.080 23.219 9.888 914 HB3 CYS 560 HB1 CYS 560 57.509 24.568 8.832 915 HG CYS 560 HG CYS 560 55.357 22.420 8.072 916 H ILE 561 HN ILE 561 59.473 20.980 9.590 917 HA ILE 561 HA ILE 561 57.964 18.641 8.609 918 HB ILE 561 HB ILE 561 60.304 18.928 10.511 919 HG12 ILE 561 HG12 ILE 561 60.018 18.042 7.644 920 HG13 ILE 561 HG11 ILE 561 60.796 19.514 8.193 921 HG21 ILE 561 HG21 ILE 561 59.041 16.444 9.316 922 HG22 ILE 561 HG22 ILE 561 58.940 16.910 11.018 923 HG23 ILE 561 HG23 ILE 561 60.493 16.471 10.313 924 HD11 ILE 561 HD11 ILE 561 61.702 16.669 8.686 925 HD12 ILE 561 HD12 ILE 561 62.394 18.073 9.504 926 HD13 ILE 561 HD13 ILE 561 62.541 17.914 7.753 927 H THR 562 HN THR 562 56.730 17.413 9.967 928 HA THR 562 HA THR 562 55.987 18.640 12.590 929 HB THR 562 HB THR 562 54.131 16.930 10.952 930 HG1 THR 562 HG1 THR 562 53.558 19.562 10.953 931 HG21 THR 562 HG21 THR 562 53.776 17.319 13.432 932 HG22 THR 562 HG22 THR 562 52.446 17.851 12.398 933 HG23 THR 562 HG23 THR 562 53.580 19.033 13.052 934 H ALA 563 HN ALA 563 55.656 17.297 14.298 935 HA ALA 563 HA ALA 563 56.555 14.465 13.964 936 HB1 ALA 563 HB1 ALA 563 57.048 16.301 16.310 937 HB2 ALA 563 HB2 ALA 563 58.221 16.005 15.022 938 HB3 ALA 563 HB3 ALA 563 57.707 14.679 16.077 939 H MET 564 HN MET 564 56.028 14.749 17.058 940 HA MET 564 HA MET 564 53.533 13.344 17.090 941 HB2 MET 564 HB2 MET 564 54.610 14.865 19.452 942 HB3 MET 564 HB1 MET 564 53.829 13.284 19.413 943 HG2 MET 564 HG2 MET 564 55.875 12.508 18.044 944 HG3 MET 564 HG1 MET 564 56.632 14.009 18.572 945 HE1 MET 564 HE1 MET 564 58.562 12.119 21.095 946 HE2 MET 564 HE2 MET 564 58.440 13.509 20.020 947 HE3 MET 564 HE3 MET 564 58.361 11.882 19.353 948 H ALA 565 HN ALA 565 53.653 16.000 15.844 949 HA ALA 565 HA ALA 565 51.719 17.406 15.426 950 HB1 ALA 565 HB1 ALA 565 50.358 18.260 17.205 951 HB2 ALA 565 HB2 ALA 565 51.468 17.665 18.434 952 HB3 ALA 565 HB3 ALA 565 50.499 16.528 17.487 953 H LYS 566 HN LYS 566 54.576 17.412 17.123 954 HA LYS 566 HA LYS 566 54.764 20.320 17.526 955 HB2 LYS 566 HB2 LYS 566 56.495 17.923 17.961 956 HB3 LYS 566 HB1 LYS 566 57.335 19.447 17.705 957 HG2 LYS 566 HG2 LYS 566 56.319 20.456 19.590 958 HG3 LYS 566 HG1 LYS 566 55.091 19.199 19.709 959 HD2 LYS 566 HD2 LYS 566 57.987 18.403 19.924 960 HD3 LYS 566 HD1 LYS 566 57.221 19.174 21.306 961 HE2 LYS 566 HE2 LYS 566 55.690 17.421 21.604 962 HE3 LYS 566 HE1 LYS 566 55.826 16.881 19.926 963 HZ1 LYS 566 HZ1 LYS 566 58.360 16.688 21.013 964 HZ2 LYS 566 HZ2 LYS 566 57.308 15.411 20.626 965 HZ3 LYS 566 HZ3 LYS 566 57.317 16.062 22.195 966 H LYS 567 HN LYS 567 56.513 21.539 16.364 967 HA LYS 567 HA LYS 567 56.678 20.675 13.503 968 HB2 LYS 567 HB2 LYS 567 57.307 23.445 14.460 969 HB3 LYS 567 HB1 LYS 567 56.680 22.937 12.905 970 HG2 LYS 567 HG2 LYS 567 55.144 22.900 15.529 971 HG3 LYS 567 HG1 LYS 567 54.938 24.067 14.235 972 HD2 LYS 567 HD2 LYS 567 54.459 21.072 13.945 973 HD3 LYS 567 HD1 LYS 567 53.202 22.292 14.159 974 HE2 LYS 567 HE2 LYS 567 54.291 23.434 12.073 975 HE3 LYS 567 HE1 LYS 567 55.007 21.846 11.802 976 HZ1 LYS 567 HZ1 LYS 567 52.656 20.972 12.082 977 HZ2 LYS 567 HZ2 LYS 567 53.006 21.802 10.641 978 HZ3 LYS 567 HZ3 LYS 567 52.148 22.578 11.886 979 H PHE 568 HN PHE 568 58.871 21.611 12.495 980 HA PHE 568 HA PHE 568 61.069 21.684 14.443 981 HB2 PHE 568 HB2 PHE 568 60.221 19.152 13.391 982 HB3 PHE 568 HB1 PHE 568 61.763 19.508 12.633 983 HD1 PHE 568 HD1 PHE 568 60.511 17.699 15.210 984 HD2 PHE 568 HD2 PHE 568 63.330 20.881 14.585 985 HE1 PHE 568 HE1 PHE 568 61.696 17.059 17.292 986 HE2 PHE 568 HE2 PHE 568 64.514 20.240 16.667 987 HZ PHE 568 HZ PHE 568 63.698 18.330 18.021 988 H HIS 569 HN HIS 569 62.832 22.685 13.576 989 HA HIS 569 HA HIS 569 62.650 24.040 11.089 990 HB2 HIS 569 HB2 HIS 569 64.884 23.318 12.937 991 HB3 HIS 569 HB1 HIS 569 65.300 23.953 11.358 992 HD2 HIS 569 HD2 HIS 569 63.669 26.557 10.946 993 HE1 HIS 569 HE1 HIS 569 64.282 27.494 15.010 994 HA PRO 570 HA PRO 570 62.950 20.170 8.667 995 HB2 PRO 570 HB2 PRO 570 63.952 22.082 6.594 996 HB3 PRO 570 HB1 PRO 570 62.691 20.844 6.466 997 HG2 PRO 570 HG2 PRO 570 62.100 23.489 6.674 998 HG3 PRO 570 HG1 PRO 570 61.052 22.230 7.335 999 HD2 PRO 570 HD2 PRO 570 62.773 24.163 8.783 1000 HD3 PRO 570 HD1 PRO 570 61.367 23.240 9.369 1001 H GLU 571 HN GLU 571 65.431 22.346 9.567 1002 HA GLU 571 HA GLU 571 67.599 20.652 8.454 1003 HB2 GLU 571 HB2 GLU 571 68.021 23.161 10.065 1004 HB3 GLU 571 HB1 GLU 571 69.027 22.477 8.790 1005 HG2 GLU 571 HG2 GLU 571 67.083 22.909 7.205 1006 HG3 GLU 571 HG1 GLU 571 66.360 23.853 8.513 1007 H HIS 572 HN HIS 572 66.669 22.153 11.556 1008 HA HIS 572 HA HIS 572 68.568 20.762 13.155 1009 HB2 HIS 572 HB2 HIS 572 65.803 21.612 14.067 1010 HB3 HIS 572 HB1 HIS 572 67.236 21.401 15.072 1011 HD2 HIS 572 HD2 HIS 572 69.103 22.956 12.569 1012 HE1 HIS 572 HE1 HIS 572 67.039 26.343 13.989 1013 H PHE 573 HN PHE 573 66.122 19.445 11.354 1014 HA PHE 573 HA PHE 573 66.112 16.960 13.044 1015 HB2 PHE 573 HB2 PHE 573 63.892 18.305 12.865 1016 HB3 PHE 573 HB1 PHE 573 63.863 17.742 11.201 1017 HD1 PHE 573 HD1 PHE 573 63.152 15.541 10.663 1018 HD2 PHE 573 HD2 PHE 573 64.071 16.567 14.733 1019 HE1 PHE 573 HE1 PHE 573 62.248 13.358 11.418 1020 HE2 PHE 573 HE2 PHE 573 63.166 14.384 15.486 1021 HZ PHE 573 HZ PHE 573 62.255 12.780 13.829 1022 H VAL 574 HN VAL 574 68.106 17.236 11.342 1023 HA VAL 574 HA VAL 574 67.405 16.185 8.686 1024 HB VAL 574 HB VAL 574 69.872 16.366 8.288 1025 HG11 VAL 574 HG11 VAL 574 69.598 19.085 8.982 1026 HG12 VAL 574 HG12 VAL 574 67.947 18.514 8.727 1027 HG13 VAL 574 HG13 VAL 574 69.144 18.344 7.462 1028 HG21 VAL 574 HG21 VAL 574 69.826 17.641 11.050 1029 HG22 VAL 574 HG22 VAL 574 71.222 17.548 9.976 1030 HG23 VAL 574 HG23 VAL 574 70.545 16.072 10.663 1031 H CYS 575 HN CYS 575 69.109 14.474 7.907 1032 HA CYS 575 HA CYS 575 68.837 12.099 9.614 1033 HB2 CYS 575 HB2 CYS 575 68.713 11.183 7.535 1034 HB3 CYS 575 HB1 CYS 575 69.245 12.699 6.816 1035 H ALA 576 HN ALA 576 70.632 11.003 10.668 1036 HA ALA 576 HA ALA 576 73.046 12.785 10.848 1037 HB1 ALA 576 HB1 ALA 576 71.824 11.707 12.875 1038 HB2 ALA 576 HB2 ALA 576 73.586 11.613 12.829 1039 HB3 ALA 576 HB3 ALA 576 72.617 10.210 12.378 1040 H PHE 577 HN PHE 577 73.495 12.140 8.597 1041 HA PHE 577 HA PHE 577 75.657 10.215 8.540 1042 HB2 PHE 577 HB2 PHE 577 74.266 8.534 7.697 1043 HB3 PHE 577 HB1 PHE 577 73.124 9.667 7.018 1044 HD1 PHE 577 HD1 PHE 577 76.070 7.644 6.368 1045 HD2 PHE 577 HD2 PHE 577 73.697 10.903 4.925 1046 HE1 PHE 577 HE1 PHE 577 77.125 7.421 4.139 1047 HE2 PHE 577 HE2 PHE 577 74.751 10.691 2.689 1048 HZ PHE 577 HZ PHE 577 76.467 8.944 2.296 1049 H CYS 578 HN CYS 578 73.402 12.223 6.865 1050 HA CYS 578 HA CYS 578 75.525 14.061 5.902 1051 HB2 CYS 578 HB2 CYS 578 74.299 14.402 3.799 1052 HB3 CYS 578 HB1 CYS 578 74.712 12.701 3.945 1053 H LEU 579 HN LEU 579 74.915 15.114 7.860 1054 HA LEU 579 HA LEU 579 72.390 15.772 8.790 1055 HB2 LEU 579 HB2 LEU 579 74.956 17.355 8.906 1056 HB3 LEU 579 HB1 LEU 579 73.538 17.731 9.876 1057 HG LEU 579 HG LEU 579 74.289 14.870 10.051 1058 HD11 LEU 579 HD11 LEU 579 76.259 15.440 11.616 1059 HD12 LEU 579 HD12 LEU 579 76.295 16.995 10.789 1060 HD13 LEU 579 HD13 LEU 579 76.558 15.511 9.879 1061 HD21 LEU 579 HD21 LEU 579 72.714 16.300 11.542 1062 HD22 LEU 579 HD22 LEU 579 74.192 16.892 12.300 1063 HD23 LEU 579 HD23 LEU 579 73.804 15.173 12.349 1064 H LYS 580 HN LYS 580 72.909 16.563 5.660 1065 HA LYS 580 HA LYS 580 72.226 19.429 5.917 1066 HB2 LYS 580 HB2 LYS 580 72.733 19.639 3.680 1067 HB3 LYS 580 HB1 LYS 580 73.662 18.200 4.054 1068 HG2 LYS 580 HG2 LYS 580 70.861 18.122 2.853 1069 HG3 LYS 580 HG1 LYS 580 72.344 18.060 1.917 1070 HD2 LYS 580 HD2 LYS 580 72.959 15.967 2.745 1071 HD3 LYS 580 HD1 LYS 580 71.941 16.120 4.171 1072 HE2 LYS 580 HE2 LYS 580 71.123 14.546 2.298 1073 HE3 LYS 580 HE1 LYS 580 69.968 15.702 2.962 1074 HZ1 LYS 580 HZ1 LYS 580 71.320 15.710 0.361 1075 HZ2 LYS 580 HZ2 LYS 580 70.919 17.201 1.070 1076 HZ3 LYS 580 HZ3 LYS 580 69.704 16.062 0.738 1077 H GLN 581 HN GLN 581 70.363 16.459 4.966 1078 HA GLN 581 HA GLN 581 67.981 17.958 5.676 1079 HB2 GLN 581 HB2 GLN 581 68.475 18.756 3.377 1080 HB3 GLN 581 HB1 GLN 581 68.119 17.130 2.798 1081 HG2 GLN 581 HG2 GLN 581 66.070 18.330 2.606 1082 HG3 GLN 581 HG1 GLN 581 65.882 17.369 4.059 1083 HE21 GLN 581 HE21 GLN 581 66.367 18.544 6.173 1084 HE22 GLN 581 HE22 GLN 581 66.046 20.201 6.237 1085 H LEU 582 HN LEU 582 66.254 16.819 6.174 1086 HA LEU 582 HA LEU 582 66.071 13.967 5.374 1087 HB2 LEU 582 HB2 LEU 582 67.081 14.266 7.678 1088 HB3 LEU 582 HB1 LEU 582 65.540 14.932 8.185 1089 HG LEU 582 HG LEU 582 64.435 12.809 7.586 1090 HD11 LEU 582 HD11 LEU 582 66.405 10.900 7.297 1091 HD12 LEU 582 HD12 LEU 582 67.073 12.239 6.376 1092 HD13 LEU 582 HD13 LEU 582 65.493 11.601 5.963 1093 HD21 LEU 582 HD21 LEU 582 66.711 12.901 9.535 1094 HD22 LEU 582 HD22 LEU 582 65.880 11.369 9.294 1095 HD23 LEU 582 HD23 LEU 582 64.982 12.787 9.830 1096 H ASN 583 HN ASN 583 63.787 13.146 5.956 1097 HA ASN 583 HA ASN 583 61.742 15.306 6.029 1098 HB2 ASN 583 HB2 ASN 583 62.219 13.403 3.732 1099 HB3 ASN 583 HB1 ASN 583 60.597 14.006 4.054 1100 HD21 ASN 583 HD21 ASN 583 61.663 14.749 1.656 1101 HD22 ASN 583 HD22 ASN 583 62.145 16.372 1.684 1102 H LYS 584 HN LYS 584 60.005 14.678 7.188 1103 HA LYS 584 HA LYS 584 59.941 12.330 8.747 1104 HB2 LYS 584 HB2 LYS 584 57.465 12.897 8.945 1105 HB3 LYS 584 HB1 LYS 584 58.576 14.207 9.340 1106 HG2 LYS 584 HG2 LYS 584 58.073 15.427 7.424 1107 HG3 LYS 584 HG1 LYS 584 57.715 13.991 6.464 1108 HD2 LYS 584 HD2 LYS 584 55.630 15.081 6.781 1109 HD3 LYS 584 HD1 LYS 584 55.618 13.727 7.902 1110 HE2 LYS 584 HE2 LYS 584 54.882 15.476 9.269 1111 HE3 LYS 584 HE1 LYS 584 56.615 15.486 9.594 1112 HZ1 LYS 584 HZ1 LYS 584 55.304 17.161 7.525 1113 HZ2 LYS 584 HZ2 LYS 584 56.921 17.248 8.041 1114 HZ3 LYS 584 HZ3 LYS 584 55.665 17.702 9.092 1115 H GLY 585 HN GLY 585 59.284 12.765 5.443 1116 HA2 GLY 585 HA2 GLY 585 57.521 10.400 5.237 1117 HA3 GLY 585 HA1 GLY 585 57.964 11.491 3.924 1118 H THR 586 HN THR 586 60.792 11.253 5.090 1119 HA THR 586 HA THR 586 61.479 8.526 4.087 1120 HB THR 586 HB THR 586 63.021 9.322 2.521 1121 HG1 THR 586 HG1 THR 586 64.193 11.022 2.905 1122 HG21 THR 586 HG21 THR 586 60.976 11.556 2.560 1123 HG22 THR 586 HG22 THR 586 60.646 9.939 1.939 1124 HG23 THR 586 HG23 THR 586 61.864 10.952 1.160 1125 H PHE 587 HN PHE 587 61.356 9.841 6.787 1126 HA PHE 587 HA PHE 587 64.241 10.054 7.468 1127 HB2 PHE 587 HB2 PHE 587 63.611 10.934 9.526 1128 HB3 PHE 587 HB1 PHE 587 62.324 11.496 8.481 1129 HD1 PHE 587 HD1 PHE 587 60.264 9.797 8.264 1130 HD2 PHE 587 HD2 PHE 587 63.031 9.909 11.547 1131 HE1 PHE 587 HE1 PHE 587 58.599 8.655 9.708 1132 HE2 PHE 587 HE2 PHE 587 61.370 8.767 12.989 1133 HZ PHE 587 HZ PHE 587 59.153 8.141 12.070 1134 H LYS 588 HN LYS 588 65.313 8.248 7.688 1135 HA LYS 588 HA LYS 588 64.024 5.826 8.848 1136 HB2 LYS 588 HB2 LYS 588 65.639 6.239 6.574 1137 HB3 LYS 588 HB1 LYS 588 66.729 5.550 7.732 1138 HG2 LYS 588 HG2 LYS 588 65.609 3.871 6.240 1139 HG3 LYS 588 HG1 LYS 588 65.442 3.559 7.953 1140 HD2 LYS 588 HD2 LYS 588 63.379 3.275 6.362 1141 HD3 LYS 588 HD1 LYS 588 63.152 3.993 7.938 1142 HE2 LYS 588 HE2 LYS 588 62.747 6.107 7.046 1143 HE3 LYS 588 HE1 LYS 588 63.740 5.811 5.637 1144 HZ1 LYS 588 HZ1 LYS 588 61.082 5.726 5.630 1145 HZ2 LYS 588 HZ2 LYS 588 61.446 4.086 5.890 1146 HZ3 LYS 588 HZ3 LYS 588 62.059 4.889 4.524 1147 H GLU 589 HN GLU 589 65.559 4.555 10.345 1148 HA GLU 589 HA GLU 589 67.534 6.253 11.739 1149 HB2 GLU 589 HB2 GLU 589 65.704 7.029 12.966 1150 HB3 GLU 589 HB1 GLU 589 64.878 5.477 12.928 1151 HG2 GLU 589 HG2 GLU 589 66.374 4.551 14.557 1152 HG3 GLU 589 HG1 GLU 589 67.491 5.913 14.415 1153 H GLN 590 HN GLN 590 68.731 5.145 13.286 1154 HA GLN 590 HA GLN 590 68.479 2.287 13.698 1155 HB2 GLN 590 HB2 GLN 590 69.707 2.715 11.385 1156 HB3 GLN 590 HB1 GLN 590 71.069 3.141 12.404 1157 HG2 GLN 590 HG2 GLN 590 71.511 0.888 12.307 1158 HG3 GLN 590 HG1 GLN 590 70.328 0.816 13.610 1159 HE21 GLN 590 HE21 GLN 590 71.081 -0.524 10.626 1160 HE22 GLN 590 HE22 GLN 590 69.543 -1.096 10.190 1161 H ASN 591 HN ASN 591 69.770 1.722 15.533 1162 HA ASN 591 HA ASN 591 70.690 2.251 17.615 1163 HB2 ASN 591 HB2 ASN 591 72.775 4.032 16.998 1164 HB3 ASN 591 HB1 ASN 591 72.898 2.287 17.051 1165 HD21 ASN 591 HD21 ASN 591 71.670 1.427 14.800 1166 HD22 ASN 591 HD22 ASN 591 72.359 2.105 13.408 1167 H ASP 592 HN ASP 592 68.580 4.107 16.450 1168 HA ASP 592 HA ASP 592 67.375 5.880 17.429 1169 HB2 ASP 592 HB2 ASP 592 69.754 6.682 19.086 1170 HB3 ASP 592 HB1 ASP 592 68.039 6.845 19.451 1171 H LYS 593 HN LYS 593 70.226 6.074 15.720 1172 HA LYS 593 HA LYS 593 70.349 9.005 15.604 1173 HB2 LYS 593 HB2 LYS 593 71.840 6.960 13.989 1174 HB3 LYS 593 HB1 LYS 593 72.256 8.651 14.202 1175 HG2 LYS 593 HG2 LYS 593 72.300 8.049 16.751 1176 HG3 LYS 593 HG1 LYS 593 72.449 6.390 16.175 1177 HD2 LYS 593 HD2 LYS 593 74.427 7.007 14.846 1178 HD3 LYS 593 HD1 LYS 593 74.278 8.680 15.386 1179 HE2 LYS 593 HE2 LYS 593 74.494 6.458 17.414 1180 HE3 LYS 593 HE1 LYS 593 75.942 7.084 16.630 1181 HZ1 LYS 593 HZ1 LYS 593 74.721 9.349 17.300 1182 HZ2 LYS 593 HZ2 LYS 593 75.855 8.566 18.294 1183 HZ3 LYS 593 HZ3 LYS 593 74.192 8.349 18.565 1184 HA PRO 594 HA PRO 594 67.185 8.803 12.282 1185 HB2 PRO 594 HB2 PRO 594 68.336 11.484 11.674 1186 HB3 PRO 594 HB1 PRO 594 66.649 11.021 11.902 1187 HG2 PRO 594 HG2 PRO 594 68.056 12.406 13.769 1188 HG3 PRO 594 HG1 PRO 594 66.771 11.266 14.201 1189 HD2 PRO 594 HD2 PRO 594 69.716 10.971 14.522 1190 HD3 PRO 594 HD1 PRO 594 68.397 10.154 15.396 1191 H TYR 595 HN TYR 595 67.287 8.955 9.845 1192 HA TYR 595 HA TYR 595 69.860 9.213 8.500 1193 HB2 TYR 595 HB2 TYR 595 68.734 6.458 9.060 1194 HB3 TYR 595 HB1 TYR 595 69.810 6.752 7.708 1195 HD1 TYR 595 HD1 TYR 595 69.682 5.701 11.051 1196 HD2 TYR 595 HD2 TYR 595 72.065 8.060 8.366 1197 HE1 TYR 595 HE1 TYR 595 71.662 5.330 12.478 1198 HE2 TYR 595 HE2 TYR 595 74.047 7.680 9.818 1199 HH TYR 595 HH TYR 595 73.996 5.415 12.452 1200 H CYS 596 HN CYS 596 69.459 9.479 6.264 1201 HA CYS 596 HA CYS 596 66.679 9.384 5.348 1202 HB2 CYS 596 HB2 CYS 596 69.090 9.356 3.514 1203 HB3 CYS 596 HB1 CYS 596 67.486 9.989 3.191 1204 H GLN 597 HN GLN 597 65.895 7.689 3.860 1205 HA GLN 597 HA GLN 597 66.740 5.096 4.628 1206 HB2 GLN 597 HB2 GLN 597 64.604 5.087 3.690 1207 HB3 GLN 597 HB1 GLN 597 65.041 6.227 2.449 1208 HG2 GLN 597 HG2 GLN 597 64.794 4.275 1.201 1209 HG3 GLN 597 HG1 GLN 597 66.507 4.231 1.547 1210 HE21 GLN 597 HE21 GLN 597 65.847 3.609 4.463 1211 HE22 GLN 597 HE22 GLN 597 65.462 1.972 4.461 1212 H ASN 598 HN ASN 598 67.371 6.837 1.580 1213 HA ASN 598 HA ASN 598 69.175 5.105 0.384 1214 HB2 ASN 598 HB2 ASN 598 69.831 8.039 0.421 1215 HB3 ASN 598 HB1 ASN 598 69.841 6.913 -0.928 1216 HD21 ASN 598 HD21 ASN 598 67.400 5.818 -0.981 1217 HD22 ASN 598 HD22 ASN 598 66.186 6.988 -1.123 1218 H CYS 599 HN CYS 599 69.717 7.160 3.183 1219 HA CYS 599 HA CYS 599 72.602 6.685 3.200 1220 HB2 CYS 599 HB2 CYS 599 70.735 7.850 5.291 1221 HB3 CYS 599 HB1 CYS 599 72.488 7.807 5.421 1222 H PHE 600 HN PHE 600 69.961 5.868 5.465 1223 HA PHE 600 HA PHE 600 71.393 3.968 6.985 1224 HB2 PHE 600 HB2 PHE 600 69.431 4.466 8.066 1225 HB3 PHE 600 HB1 PHE 600 68.574 4.756 6.562 1226 HD1 PHE 600 HD1 PHE 600 67.538 2.903 5.322 1227 HD2 PHE 600 HD2 PHE 600 69.433 2.264 9.115 1228 HE1 PHE 600 HE1 PHE 600 66.414 0.701 5.506 1229 HE2 PHE 600 HE2 PHE 600 68.309 0.060 9.303 1230 HZ PHE 600 HZ PHE 600 66.802 -0.722 7.499 1231 H LEU 601 HN LEU 601 69.120 3.339 4.270 1232 HA LEU 601 HA LEU 601 69.401 0.566 4.207 1233 HB2 LEU 601 HB2 LEU 601 68.080 0.778 2.369 1234 HB3 LEU 601 HB1 LEU 601 68.218 2.512 2.586 1235 HG LEU 601 HG LEU 601 70.264 2.457 1.105 1236 HD11 LEU 601 HD11 LEU 601 69.713 0.002 -0.294 1237 HD12 LEU 601 HD12 LEU 601 69.935 -0.390 1.408 1238 HD13 LEU 601 HD13 LEU 601 71.191 0.482 0.534 1239 HD21 LEU 601 HD21 LEU 601 67.690 1.386 -0.081 1240 HD22 LEU 601 HD22 LEU 601 68.960 2.223 -0.972 1241 HD23 LEU 601 HD23 LEU 601 68.036 3.080 0.258 1242 H LYS 602 HN LYS 602 71.551 2.990 2.719 1243 HA LYS 602 HA LYS 602 73.274 1.185 1.412 1244 HB2 LYS 602 HB2 LYS 602 73.310 3.785 1.425 1245 HB3 LYS 602 HB1 LYS 602 74.333 3.618 2.845 1246 HG2 LYS 602 HG2 LYS 602 75.947 2.317 1.594 1247 HG3 LYS 602 HG1 LYS 602 74.898 2.288 0.179 1248 HD2 LYS 602 HD2 LYS 602 75.156 4.612 -0.210 1249 HD3 LYS 602 HD1 LYS 602 75.831 4.888 1.394 1250 HE2 LYS 602 HE2 LYS 602 77.780 3.367 0.673 1251 HE3 LYS 602 HE1 LYS 602 77.135 3.506 -0.963 1252 HZ1 LYS 602 HZ1 LYS 602 77.203 6.003 -0.530 1253 HZ2 LYS 602 HZ2 LYS 602 78.681 5.212 -0.811 1254 HZ3 LYS 602 HZ3 LYS 602 78.225 5.631 0.771 1255 H LEU 603 HN LEU 603 72.814 1.740 4.790 1256 HA LEU 603 HA LEU 603 75.393 0.482 5.516 1257 HB2 LEU 603 HB2 LEU 603 73.238 1.185 7.492 1258 HB3 LEU 603 HB1 LEU 603 74.990 1.224 7.695 1259 HG LEU 603 HG LEU 603 73.319 3.103 6.022 1260 HD11 LEU 603 HD11 LEU 603 75.130 3.916 8.264 1261 HD12 LEU 603 HD12 LEU 603 73.517 3.304 8.632 1262 HD13 LEU 603 HD13 LEU 603 73.710 4.737 7.624 1263 HD21 LEU 603 HD21 LEU 603 75.342 2.859 4.815 1264 HD22 LEU 603 HD22 LEU 603 76.302 2.742 6.285 1265 HD23 LEU 603 HD23 LEU 603 75.606 4.290 5.805 1266 H PHE 604 HN PHE 604 71.934 -0.149 6.264 1267 HA PHE 604 HA PHE 604 72.648 -2.999 6.802 1268 HB2 PHE 604 HB2 PHE 604 70.385 -1.183 7.588 1269 HB3 PHE 604 HB1 PHE 604 70.055 -2.911 7.493 1270 HD1 PHE 604 HD1 PHE 604 72.847 -0.715 8.741 1271 HD2 PHE 604 HD2 PHE 604 70.261 -4.056 9.519 1272 HE1 PHE 604 HE1 PHE 604 73.913 -1.023 10.952 1273 HE2 PHE 604 HE2 PHE 604 71.332 -4.365 11.732 1274 HZ PHE 604 HZ PHE 604 73.158 -2.848 12.450 1275 H CYS 605 HN CYS 605 72.513 -1.854 4.051 1276 HA CYS 605 HA CYS 605 70.164 -2.441 2.652 1277 HB2 CYS 605 HB2 CYS 605 71.971 -1.536 1.395 1278 HB3 CYS 605 HB1 CYS 605 73.067 -2.824 1.893 1279 HG CYS 605 HG CYS 605 72.067 -4.373 0.177 Start of MODEL 15 1 H MET 1 HT1 MET 1 92.132 -24.953 3.395 2 HA MET 1 HA MET 1 91.074 -27.151 4.227 3 HB2 MET 1 HB2 MET 1 93.099 -26.860 2.767 4 HB3 MET 1 HB1 MET 1 94.085 -26.800 4.225 5 HG2 MET 1 HG2 MET 1 93.053 -29.038 4.867 6 HG3 MET 1 HG1 MET 1 92.377 -29.094 3.245 7 HE1 MET 1 HE1 MET 1 95.140 -29.727 0.876 8 HE2 MET 1 HE2 MET 1 93.944 -28.459 1.133 9 HE3 MET 1 HE3 MET 1 93.487 -30.147 1.348 10 H ALA 2 HN ALA 2 94.072 -27.368 5.881 11 HA ALA 2 HA ALA 2 92.791 -27.070 8.555 12 HB1 ALA 2 HB1 ALA 2 93.717 -29.304 9.219 13 HB2 ALA 2 HB2 ALA 2 94.125 -29.594 7.528 14 HB3 ALA 2 HB3 ALA 2 92.437 -29.418 8.011 15 H LEU 3 HN LEU 3 95.667 -27.583 6.592 16 HA LEU 3 HA LEU 3 97.667 -27.292 8.566 17 HB2 LEU 3 HB2 LEU 3 97.595 -26.358 5.711 18 HB3 LEU 3 HB1 LEU 3 99.049 -26.506 6.694 19 HG LEU 3 HG LEU 3 98.333 -28.967 7.071 20 HD11 LEU 3 HD11 LEU 3 96.179 -29.254 6.278 21 HD12 LEU 3 HD12 LEU 3 97.075 -29.724 4.840 22 HD13 LEU 3 HD13 LEU 3 96.385 -28.108 4.954 23 HD21 LEU 3 HD21 LEU 3 99.400 -29.634 4.947 24 HD22 LEU 3 HD22 LEU 3 100.231 -28.280 5.713 25 HD23 LEU 3 HD23 LEU 3 99.164 -27.997 4.339 26 H ASP 4 HN ASP 4 96.578 -24.913 6.240 27 HA ASP 4 HA ASP 4 97.487 -22.707 7.959 28 HB2 ASP 4 HB2 ASP 4 97.912 -22.713 5.504 29 HB3 ASP 4 HB1 ASP 4 96.164 -22.715 5.265 30 H GLY 5 HN GLY 5 95.181 -24.474 8.571 31 HA2 GLY 5 HA2 GLY 5 92.911 -22.498 8.548 32 HA3 GLY 5 HA1 GLY 5 92.740 -24.237 8.510 33 H ILE 6 HN ILE 6 95.142 -24.113 10.284 34 HA ILE 6 HA ILE 6 94.883 -25.054 12.593 35 HB ILE 6 HB ILE 6 95.875 -22.829 13.627 36 HG12 ILE 6 HG12 ILE 6 94.827 -21.711 11.347 37 HG13 ILE 6 HG11 ILE 6 96.199 -21.074 12.176 38 HG21 ILE 6 HG21 ILE 6 97.267 -24.686 13.158 39 HG22 ILE 6 HG22 ILE 6 97.995 -23.314 12.325 40 HG23 ILE 6 HG23 ILE 6 97.044 -24.497 11.417 41 HD11 ILE 6 HD11 ILE 6 97.735 -22.054 10.668 42 HD12 ILE 6 HD12 ILE 6 96.449 -21.365 9.675 43 HD13 ILE 6 HD13 ILE 6 96.482 -23.087 10.007 44 H ARG 7 HN ARG 7 94.206 -21.695 13.067 45 HA ARG 7 HA ARG 7 91.462 -22.069 13.914 46 HB2 ARG 7 HB2 ARG 7 91.914 -21.524 16.309 47 HB3 ARG 7 HB1 ARG 7 92.463 -23.109 15.803 48 HG2 ARG 7 HG2 ARG 7 94.535 -21.038 15.429 49 HG3 ARG 7 HG1 ARG 7 94.028 -21.201 17.105 50 HD2 ARG 7 HD2 ARG 7 94.713 -23.447 17.220 51 HD3 ARG 7 HD1 ARG 7 94.691 -23.633 15.467 52 HE ARG 7 HE ARG 7 96.640 -21.774 15.753 53 HH11 ARG 7 HH11 ARG 7 98.803 -22.185 16.238 54 HH12 ARG 7 HH12 ARG 7 99.224 -23.610 17.128 55 HH21 ARG 7 HH21 ARG 7 95.952 -24.722 17.413 56 HH22 ARG 7 HH22 ARG 7 97.609 -25.044 17.794 57 H MET 8 HN MET 8 93.069 -19.942 15.982 58 HA MET 8 HA MET 8 92.964 -17.640 14.168 59 HB2 MET 8 HB2 MET 8 91.279 -16.803 16.307 60 HB3 MET 8 HB1 MET 8 90.831 -17.062 14.633 61 HG2 MET 8 HG2 MET 8 90.163 -19.304 15.012 62 HG3 MET 8 HG1 MET 8 90.953 -19.402 16.567 63 HE1 MET 8 HE1 MET 8 86.807 -17.962 15.539 64 HE2 MET 8 HE2 MET 8 87.817 -19.215 14.824 65 HE3 MET 8 HE3 MET 8 88.181 -17.519 14.517 66 HA PRO 9 HA PRO 9 94.466 -15.970 18.610 67 HB2 PRO 9 HB2 PRO 9 95.183 -18.742 19.551 68 HB3 PRO 9 HB1 PRO 9 94.840 -17.288 20.518 69 HG2 PRO 9 HG2 PRO 9 92.984 -19.114 20.225 70 HG3 PRO 9 HG1 PRO 9 92.570 -17.393 20.083 71 HD2 PRO 9 HD2 PRO 9 92.811 -19.439 17.917 72 HD3 PRO 9 HD1 PRO 9 91.755 -18.035 18.043 73 H ASP 10 HN ASP 10 95.727 -18.951 17.288 74 HA ASP 10 HA ASP 10 98.450 -17.725 16.994 75 HB2 ASP 10 HB2 ASP 10 98.033 -20.019 18.152 76 HB3 ASP 10 HB1 ASP 10 97.770 -20.630 16.521 77 H GLY 11 HN GLY 11 95.659 -18.800 15.317 78 HA2 GLY 11 HA2 GLY 11 97.000 -19.046 12.721 79 HA3 GLY 11 HA1 GLY 11 95.266 -19.178 13.022 80 H CYS 12 HN CYS 12 95.988 -16.513 14.635 81 HA CYS 12 HA CYS 12 96.401 -14.572 12.530 82 HB2 CYS 12 HB2 CYS 12 94.168 -15.115 11.862 83 HB3 CYS 12 HB1 CYS 12 93.605 -15.101 13.534 84 HG CYS 12 HG CYS 12 93.104 -12.702 13.164 85 H TYR 13 HN TYR 13 94.256 -14.486 15.387 86 HA TYR 13 HA TYR 13 96.248 -13.133 17.022 87 HB2 TYR 13 HB2 TYR 13 95.346 -11.403 15.298 88 HB3 TYR 13 HB1 TYR 13 93.865 -11.441 16.249 89 HD1 TYR 13 HD1 TYR 13 94.060 -11.024 18.790 90 HD2 TYR 13 HD2 TYR 13 97.182 -10.085 15.992 91 HE1 TYR 13 HE1 TYR 13 95.078 -9.480 20.442 92 HE2 TYR 13 HE2 TYR 13 98.199 -8.541 17.644 93 HH TYR 13 HH TYR 13 98.225 -8.100 19.972 94 H ALA 14 HN ALA 14 92.744 -13.528 16.508 95 HA ALA 14 HA ALA 14 92.460 -14.858 19.087 96 HB1 ALA 14 HB1 ALA 14 92.490 -12.531 19.853 97 HB2 ALA 14 HB2 ALA 14 90.864 -13.193 20.020 98 HB3 ALA 14 HB3 ALA 14 91.243 -12.113 18.679 99 H ASP 15 HN ASP 15 90.730 -13.167 16.481 100 HA ASP 15 HA ASP 15 89.067 -15.585 16.113 101 HB2 ASP 15 HB2 ASP 15 87.931 -14.022 17.786 102 HB3 ASP 15 HB1 ASP 15 87.759 -12.884 16.449 103 H GLY 16 HN GLY 16 90.945 -13.303 14.788 104 HA2 GLY 16 HA2 GLY 16 91.290 -13.285 12.353 105 HA3 GLY 16 HA1 GLY 16 89.548 -13.441 12.141 106 H THR 17 HN THR 17 90.748 -11.320 14.608 107 HA THR 17 HA THR 17 89.446 -9.062 13.316 108 HB THR 17 HB THR 17 90.249 -7.842 15.361 109 HG1 THR 17 HG1 THR 17 91.734 -8.728 16.525 110 HG21 THR 17 HG21 THR 17 88.810 -9.065 16.918 111 HG22 THR 17 HG22 THR 17 88.896 -10.499 15.894 112 HG23 THR 17 HG23 THR 17 88.083 -9.046 15.311 113 H TRP 18 HN TRP 18 90.434 -7.587 12.097 114 HA TRP 18 HA TRP 18 93.325 -7.076 12.288 115 HB2 TRP 18 HB2 TRP 18 93.110 -7.206 9.572 116 HB3 TRP 18 HB1 TRP 18 93.702 -8.527 10.559 117 HD1 TRP 18 HD1 TRP 18 90.218 -7.289 9.366 118 HE1 TRP 18 HE1 TRP 18 88.845 -9.365 8.682 119 HE3 TRP 18 HE3 TRP 18 93.589 -10.972 10.440 120 HZ2 TRP 18 HZ2 TRP 18 89.141 -12.205 8.601 121 HZ3 TRP 18 HZ3 TRP 18 93.019 -13.351 10.048 122 HH2 TRP 18 HH2 TRP 18 90.801 -13.972 9.130 123 H GLU 19 HN GLU 19 93.593 -4.892 12.191 124 HA GLU 19 HA GLU 19 91.309 -3.232 11.418 125 HB2 GLU 19 HB2 GLU 19 93.400 -1.449 11.860 126 HB3 GLU 19 HB1 GLU 19 92.247 -1.979 13.079 127 HG2 GLU 19 HG2 GLU 19 94.597 -2.266 13.805 128 HG3 GLU 19 HG1 GLU 19 93.709 -3.786 13.737 129 H LEU 20 HN LEU 20 90.970 -2.276 9.587 130 HA LEU 20 HA LEU 20 92.854 -2.718 7.389 131 HB2 LEU 20 HB2 LEU 20 90.066 -2.533 7.615 132 HB3 LEU 20 HB1 LEU 20 90.492 -1.003 6.861 133 HG LEU 20 HG LEU 20 90.109 -2.484 5.065 134 HD11 LEU 20 HD11 LEU 20 92.517 -1.279 5.287 135 HD12 LEU 20 HD12 LEU 20 92.021 -2.229 3.895 136 HD13 LEU 20 HD13 LEU 20 93.044 -2.958 5.121 137 HD21 LEU 20 HD21 LEU 20 91.508 -4.499 6.810 138 HD22 LEU 20 HD22 LEU 20 91.510 -4.735 5.065 139 HD23 LEU 20 HD23 LEU 20 89.983 -4.638 5.939 140 H SER 21 HN SER 21 94.234 -1.123 6.622 141 HA SER 21 HA SER 21 94.453 1.327 8.195 142 HB2 SER 21 HB2 SER 21 96.257 -0.154 6.760 143 HB3 SER 21 HB1 SER 21 95.946 1.168 5.637 144 HG SER 21 HG SER 21 96.624 1.447 8.386 145 H VAL 22 HN VAL 22 93.905 3.395 7.544 146 HA VAL 22 HA VAL 22 92.612 3.684 4.885 147 HB VAL 22 HB VAL 22 91.374 4.305 7.561 148 HG11 VAL 22 HG11 VAL 22 91.106 6.367 6.283 149 HG12 VAL 22 HG12 VAL 22 89.584 5.485 6.269 150 HG13 VAL 22 HG13 VAL 22 90.630 5.451 4.847 151 HG21 VAL 22 HG21 VAL 22 89.469 3.124 6.502 152 HG22 VAL 22 HG22 VAL 22 90.922 2.123 6.530 153 HG23 VAL 22 HG23 VAL 22 90.427 2.923 5.028 154 H HIS 23 HN HIS 23 93.830 5.090 3.892 155 HA HIS 23 HA HIS 23 95.194 7.268 5.320 156 HB2 HIS 23 HB2 HIS 23 95.111 6.239 2.493 157 HB3 HIS 23 HB1 HIS 23 95.879 7.781 2.863 158 HD1 HIS 23 HD1 HIS 23 98.343 7.268 2.796 159 HD2 HIS 23 HD2 HIS 23 96.213 4.392 4.935 160 HE1 HIS 23 HE1 HIS 23 100.062 5.699 3.798 161 H VAL 24 HN VAL 24 93.709 8.876 5.925 162 HA VAL 24 HA VAL 24 91.469 9.531 4.189 163 HB VAL 24 HB VAL 24 92.519 11.444 6.274 164 HG11 VAL 24 HG11 VAL 24 89.749 10.445 5.560 165 HG12 VAL 24 HG12 VAL 24 90.459 11.939 4.961 166 HG13 VAL 24 HG13 VAL 24 90.118 11.749 6.684 167 HG21 VAL 24 HG21 VAL 24 91.231 10.020 7.958 168 HG22 VAL 24 HG22 VAL 24 92.776 9.357 7.426 169 HG23 VAL 24 HG23 VAL 24 91.268 8.728 6.758 170 H THR 25 HN THR 25 91.896 10.431 2.221 171 HA THR 25 HA THR 25 94.314 12.025 1.804 172 HB THR 25 HB THR 25 93.896 11.777 -0.450 173 HG1 THR 25 HG1 THR 25 91.394 11.493 -0.894 174 HG21 THR 25 HG21 THR 25 93.645 9.522 0.675 175 HG22 THR 25 HG22 THR 25 92.882 9.647 -0.910 176 HG23 THR 25 HG23 THR 25 91.900 9.736 0.551 177 H ASP 26 HN ASP 26 90.822 12.664 2.029 178 HA ASP 26 HA ASP 26 91.031 15.465 1.380 179 HB2 ASP 26 HB2 ASP 26 88.911 13.964 1.464 180 HB3 ASP 26 HB1 ASP 26 88.913 14.297 3.196 181 H LEU 27 HN LEU 27 92.439 13.848 3.820 182 HA LEU 27 HA LEU 27 92.509 16.260 5.571 183 HB2 LEU 27 HB2 LEU 27 91.440 13.601 6.218 184 HB3 LEU 27 HB1 LEU 27 92.646 14.118 7.376 185 HG LEU 27 HG LEU 27 90.352 15.909 6.532 186 HD11 LEU 27 HD11 LEU 27 89.345 15.143 8.772 187 HD12 LEU 27 HD12 LEU 27 90.462 13.780 8.673 188 HD13 LEU 27 HD13 LEU 27 89.237 14.010 7.426 189 HD21 LEU 27 HD21 LEU 27 92.084 17.126 7.660 190 HD22 LEU 27 HD22 LEU 27 92.301 15.849 8.853 191 HD23 LEU 27 HD23 LEU 27 90.839 16.831 8.871 192 H ASN 28 HN ASN 28 93.970 13.338 4.365 193 HA ASN 28 HA ASN 28 96.243 12.890 3.983 194 HB2 ASN 28 HB2 ASN 28 96.512 15.476 4.180 195 HB3 ASN 28 HB1 ASN 28 97.079 15.142 5.811 196 HD21 ASN 28 HD21 ASN 28 98.092 12.449 4.757 197 HD22 ASN 28 HD22 ASN 28 99.571 12.830 4.025 198 H ARG 29 HN ARG 29 94.492 12.367 6.588 199 HA ARG 29 HA ARG 29 96.693 11.659 8.427 200 HB2 ARG 29 HB2 ARG 29 93.697 11.390 8.705 201 HB3 ARG 29 HB1 ARG 29 94.879 11.042 9.967 202 HG2 ARG 29 HG2 ARG 29 95.634 13.348 9.966 203 HG3 ARG 29 HG1 ARG 29 94.582 13.726 8.609 204 HD2 ARG 29 HD2 ARG 29 93.315 14.467 10.436 205 HD3 ARG 29 HD1 ARG 29 92.670 12.850 10.162 206 HE ARG 29 HE ARG 29 94.405 13.679 12.416 207 HH11 ARG 29 HH11 ARG 29 94.503 12.196 14.105 208 HH12 ARG 29 HH12 ARG 29 93.844 10.609 13.892 209 HH21 ARG 29 HH21 ARG 29 92.823 11.167 10.632 210 HH22 ARG 29 HH22 ARG 29 92.896 10.030 11.934 211 H ASP 30 HN ASP 30 96.060 9.468 9.560 212 HA ASP 30 HA ASP 30 95.340 7.393 7.574 213 HB2 ASP 30 HB2 ASP 30 97.869 7.456 9.237 214 HB3 ASP 30 HB1 ASP 30 97.240 5.994 8.474 215 H VAL 31 HN VAL 31 93.695 6.355 8.474 216 HA VAL 31 HA VAL 31 93.699 5.981 11.459 217 HB VAL 31 HB VAL 31 91.301 6.032 9.620 218 HG11 VAL 31 HG11 VAL 31 90.159 6.463 11.836 219 HG12 VAL 31 HG12 VAL 31 91.699 6.131 12.623 220 HG13 VAL 31 HG13 VAL 31 90.895 4.866 11.695 221 HG21 VAL 31 HG21 VAL 31 90.951 8.337 10.646 222 HG22 VAL 31 HG22 VAL 31 92.292 8.235 9.506 223 HG23 VAL 31 HG23 VAL 31 92.608 8.244 11.241 224 H THR 32 HN THR 32 92.771 4.015 12.229 225 HA THR 32 HA THR 32 92.663 1.773 10.256 226 HB THR 32 HB THR 32 93.728 0.771 12.735 227 HG1 THR 32 HG1 THR 32 94.292 3.156 12.781 228 HG21 THR 32 HG21 THR 32 95.471 -0.076 11.408 229 HG22 THR 32 HG22 THR 32 95.415 1.291 10.295 230 HG23 THR 32 HG23 THR 32 94.144 0.069 10.257 231 H LEU 33 HN LEU 33 90.884 0.557 10.565 232 HA LEU 33 HA LEU 33 89.283 0.895 13.075 233 HB2 LEU 33 HB2 LEU 33 88.604 0.726 10.163 234 HB3 LEU 33 HB1 LEU 33 87.452 0.062 11.301 235 HG LEU 33 HG LEU 33 87.114 2.504 10.605 236 HD11 LEU 33 HD11 LEU 33 86.217 1.321 12.726 237 HD12 LEU 33 HD12 LEU 33 86.198 3.081 12.681 238 HD13 LEU 33 HD13 LEU 33 87.454 2.238 13.586 239 HD21 LEU 33 HD21 LEU 33 88.501 4.189 11.512 240 HD22 LEU 33 HD22 LEU 33 89.632 2.994 10.885 241 HD23 LEU 33 HD23 LEU 33 89.295 3.080 12.612 242 H ARG 34 HN ARG 34 89.428 -0.954 14.280 243 HA ARG 34 HA ARG 34 90.309 -3.434 13.272 244 HB2 ARG 34 HB2 ARG 34 90.375 -2.831 15.679 245 HB3 ARG 34 HB1 ARG 34 88.622 -3.015 15.725 246 HG2 ARG 34 HG2 ARG 34 90.409 -5.218 14.641 247 HG3 ARG 34 HG1 ARG 34 90.078 -5.076 16.332 248 HD2 ARG 34 HD2 ARG 34 87.541 -4.893 15.156 249 HD3 ARG 34 HD1 ARG 34 88.379 -6.145 14.267 250 HE ARG 34 HE ARG 34 88.286 -7.490 16.197 251 HH11 ARG 34 HH11 ARG 34 87.707 -7.880 18.348 252 HH12 ARG 34 HH12 ARG 34 87.274 -6.548 19.368 253 HH21 ARG 34 HH21 ARG 34 87.734 -4.162 16.893 254 HH22 ARG 34 HH22 ARG 34 87.290 -4.443 18.544 255 H VAL 35 HN VAL 35 89.242 -5.066 12.451 256 HA VAL 35 HA VAL 35 86.315 -5.186 12.425 257 HB VAL 35 HB VAL 35 86.284 -5.191 9.875 258 HG11 VAL 35 HG11 VAL 35 87.193 -2.514 10.950 259 HG12 VAL 35 HG12 VAL 35 85.643 -3.211 11.421 260 HG13 VAL 35 HG13 VAL 35 85.967 -2.848 9.730 261 HG21 VAL 35 HG21 VAL 35 88.992 -3.886 10.280 262 HG22 VAL 35 HG22 VAL 35 88.150 -4.068 8.741 263 HG23 VAL 35 HG23 VAL 35 88.730 -5.493 9.604 264 H THR 36 HN THR 36 85.902 -6.900 10.410 265 HA THR 36 HA THR 36 87.935 -9.047 10.523 266 HB THR 36 HB THR 36 85.942 -10.656 10.985 267 HG1 THR 36 HG1 THR 36 84.951 -8.375 12.305 268 HG21 THR 36 HG21 THR 36 86.190 -10.309 13.467 269 HG22 THR 36 HG22 THR 36 87.123 -8.860 13.103 270 HG23 THR 36 HG23 THR 36 87.709 -10.439 12.587 271 H GLY 37 HN GLY 37 87.293 -10.740 8.832 272 HA2 GLY 37 HA2 GLY 37 86.429 -9.354 6.454 273 HA3 GLY 37 HA1 GLY 37 86.842 -11.061 6.543 274 H GLU 38 HN GLU 38 84.436 -9.208 8.359 275 HA GLU 38 HA GLU 38 82.246 -10.646 6.986 276 HB2 GLU 38 HB2 GLU 38 81.338 -11.574 8.938 277 HB3 GLU 38 HB1 GLU 38 83.058 -11.889 9.103 278 HG2 GLU 38 HG2 GLU 38 82.660 -10.996 11.209 279 HG3 GLU 38 HG1 GLU 38 82.993 -9.503 10.335 280 H VAL 39 HN VAL 39 83.538 -7.789 7.943 281 HA VAL 39 HA VAL 39 81.034 -6.558 8.899 282 HB VAL 39 HB VAL 39 82.295 -4.627 9.365 283 HG11 VAL 39 HG11 VAL 39 82.825 -6.636 10.750 284 HG12 VAL 39 HG12 VAL 39 84.127 -5.450 10.702 285 HG13 VAL 39 HG13 VAL 39 84.230 -6.915 9.726 286 HG21 VAL 39 HG21 VAL 39 84.655 -4.346 8.518 287 HG22 VAL 39 HG22 VAL 39 83.433 -4.244 7.264 288 HG23 VAL 39 HG23 VAL 39 84.378 -5.726 7.461 289 H HIS 40 HN HIS 40 79.932 -4.914 7.736 290 HA HIS 40 HA HIS 40 80.185 -5.164 4.801 291 HB2 HIS 40 HB2 HIS 40 78.221 -3.208 5.333 292 HB3 HIS 40 HB1 HIS 40 77.922 -4.915 5.016 293 HD1 HIS 40 HD1 HIS 40 77.660 -6.490 7.118 294 HD2 HIS 40 HD2 HIS 40 77.820 -2.421 8.007 295 HE1 HIS 40 HE1 HIS 40 76.854 -6.248 9.507 296 H ILE 41 HN ILE 41 80.886 -3.470 3.449 297 HA ILE 41 HA ILE 41 82.878 -1.713 4.305 298 HB ILE 41 HB ILE 41 80.871 -1.291 2.074 299 HG12 ILE 41 HG12 ILE 41 83.717 -2.315 1.921 300 HG13 ILE 41 HG11 ILE 41 82.316 -3.379 2.065 301 HG21 ILE 41 HG21 ILE 41 82.774 0.120 1.124 302 HG22 ILE 41 HG22 ILE 41 83.473 0.092 2.747 303 HG23 ILE 41 HG23 ILE 41 81.891 0.824 2.481 304 HD11 ILE 41 HD11 ILE 41 81.471 -2.779 -0.021 305 HD12 ILE 41 HD12 ILE 41 83.208 -2.790 -0.321 306 HD13 ILE 41 HD13 ILE 41 82.365 -1.262 -0.071 307 H GLY 42 HN GLY 42 79.468 -0.870 3.750 308 HA2 GLY 42 HA2 GLY 42 79.569 1.766 4.742 309 HA3 GLY 42 HA1 GLY 42 78.122 0.761 4.772 310 H GLY 43 HN GLY 43 79.903 -1.224 6.315 311 HA2 GLY 43 HA2 GLY 43 79.016 -0.431 8.961 312 HA3 GLY 43 HA1 GLY 43 80.054 -1.811 8.586 313 H VAL 44 HN VAL 44 81.929 -0.126 7.092 314 HA VAL 44 HA VAL 44 83.567 0.788 9.361 315 HB VAL 44 HB VAL 44 83.980 0.352 6.399 316 HG11 VAL 44 HG11 VAL 44 85.067 2.477 6.657 317 HG12 VAL 44 HG12 VAL 44 86.343 1.264 6.761 318 HG13 VAL 44 HG13 VAL 44 85.728 2.024 8.228 319 HG21 VAL 44 HG21 VAL 44 85.568 -0.495 8.842 320 HG22 VAL 44 HG22 VAL 44 85.801 -1.064 7.189 321 HG23 VAL 44 HG23 VAL 44 84.325 -1.475 8.063 322 H MET 45 HN MET 45 81.766 2.153 6.617 323 HA MET 45 HA MET 45 82.612 4.846 6.724 324 HB2 MET 45 HB2 MET 45 79.924 3.568 6.182 325 HB3 MET 45 HB1 MET 45 80.076 5.318 6.192 326 HG2 MET 45 HG2 MET 45 82.081 4.841 4.517 327 HG3 MET 45 HG1 MET 45 81.213 3.333 4.247 328 HE1 MET 45 HE1 MET 45 78.347 3.749 4.520 329 HE2 MET 45 HE2 MET 45 78.933 3.117 2.981 330 HE3 MET 45 HE3 MET 45 77.732 4.413 3.000 331 H LEU 46 HN LEU 46 80.402 3.036 8.769 332 HA LEU 46 HA LEU 46 79.478 5.266 10.343 333 HB2 LEU 46 HB2 LEU 46 78.487 2.878 10.095 334 HB3 LEU 46 HB1 LEU 46 79.662 2.415 11.322 335 HG LEU 46 HG LEU 46 78.627 4.619 12.546 336 HD11 LEU 46 HD11 LEU 46 76.363 3.463 10.883 337 HD12 LEU 46 HD12 LEU 46 77.001 5.110 10.800 338 HD13 LEU 46 HD13 LEU 46 76.152 4.566 12.245 339 HD21 LEU 46 HD21 LEU 46 77.229 3.093 13.864 340 HD22 LEU 46 HD22 LEU 46 78.779 2.336 13.501 341 HD23 LEU 46 HD23 LEU 46 77.338 1.870 12.596 342 H LYS 47 HN LYS 47 81.589 2.584 11.399 343 HA LYS 47 HA LYS 47 82.476 3.764 13.773 344 HB2 LYS 47 HB2 LYS 47 84.110 1.944 11.998 345 HB3 LYS 47 HB1 LYS 47 84.278 2.154 13.744 346 HG2 LYS 47 HG2 LYS 47 81.851 1.418 13.944 347 HG3 LYS 47 HG1 LYS 47 81.933 0.971 12.242 348 HD2 LYS 47 HD2 LYS 47 83.973 -0.084 14.205 349 HD3 LYS 47 HD1 LYS 47 82.404 -0.863 14.037 350 HE2 LYS 47 HE2 LYS 47 84.359 -0.371 11.771 351 HE3 LYS 47 HE1 LYS 47 84.094 -1.916 12.575 352 HZ1 LYS 47 HZ1 LYS 47 81.660 -0.701 11.681 353 HZ2 LYS 47 HZ2 LYS 47 82.247 -2.273 11.419 354 HZ3 LYS 47 HZ3 LYS 47 82.738 -1.000 10.406 355 H LEU 48 HN LEU 48 84.294 3.788 10.670 356 HA LEU 48 HA LEU 48 86.459 5.321 11.451 357 HB2 LEU 48 HB2 LEU 48 86.230 4.424 9.177 358 HB3 LEU 48 HB1 LEU 48 84.919 5.548 8.845 359 HG LEU 48 HG LEU 48 86.519 7.453 9.182 360 HD11 LEU 48 HD11 LEU 48 88.195 6.484 10.608 361 HD12 LEU 48 HD12 LEU 48 88.976 6.819 9.067 362 HD13 LEU 48 HD13 LEU 48 88.486 5.174 9.463 363 HD21 LEU 48 HD21 LEU 48 87.888 6.943 7.098 364 HD22 LEU 48 HD22 LEU 48 86.142 6.748 6.922 365 HD23 LEU 48 HD23 LEU 48 87.173 5.331 7.131 366 H VAL 49 HN VAL 49 83.304 6.634 10.381 367 HA VAL 49 HA VAL 49 84.046 9.382 10.840 368 HB VAL 49 HB VAL 49 81.366 7.992 10.635 369 HG11 VAL 49 HG11 VAL 49 82.033 10.913 11.050 370 HG12 VAL 49 HG12 VAL 49 80.897 9.917 11.959 371 HG13 VAL 49 HG13 VAL 49 80.519 10.398 10.305 372 HG21 VAL 49 HG21 VAL 49 82.653 9.982 8.752 373 HG22 VAL 49 HG22 VAL 49 81.324 8.870 8.419 374 HG23 VAL 49 HG23 VAL 49 82.961 8.248 8.629 375 H GLU 50 HN GLU 50 82.238 7.014 12.824 376 HA GLU 50 HA GLU 50 81.505 8.574 14.997 377 HB2 GLU 50 HB2 GLU 50 82.620 5.770 14.914 378 HB3 GLU 50 HB1 GLU 50 82.065 6.498 16.415 379 HG2 GLU 50 HG2 GLU 50 80.351 6.315 13.924 380 HG3 GLU 50 HG1 GLU 50 80.322 5.115 15.214 381 H LYS 51 HN LYS 51 84.729 7.319 14.259 382 HA LYS 51 HA LYS 51 85.964 8.172 16.699 383 HB2 LYS 51 HB2 LYS 51 87.088 7.659 13.935 384 HB3 LYS 51 HB1 LYS 51 88.076 7.939 15.369 385 HG2 LYS 51 HG2 LYS 51 87.013 6.019 16.488 386 HG3 LYS 51 HG1 LYS 51 86.026 5.726 15.055 387 HD2 LYS 51 HD2 LYS 51 87.847 5.005 13.775 388 HD3 LYS 51 HD1 LYS 51 89.019 5.844 14.787 389 HE2 LYS 51 HE2 LYS 51 88.579 4.254 16.624 390 HE3 LYS 51 HE1 LYS 51 87.406 3.414 15.612 391 HZ1 LYS 51 HZ1 LYS 51 90.058 2.858 15.759 392 HZ2 LYS 51 HZ2 LYS 51 89.946 3.771 14.330 393 HZ3 LYS 51 HZ3 LYS 51 89.016 2.362 14.517 394 H LEU 52 HN LEU 52 85.683 9.749 13.488 395 HA LEU 52 HA LEU 52 87.195 12.035 14.137 396 HB2 LEU 52 HB2 LEU 52 85.768 11.042 11.943 397 HB3 LEU 52 HB1 LEU 52 84.906 12.512 12.349 398 HG LEU 52 HG LEU 52 86.595 13.089 10.770 399 HD11 LEU 52 HD11 LEU 52 88.040 13.973 13.226 400 HD12 LEU 52 HD12 LEU 52 86.332 14.392 13.114 401 HD13 LEU 52 HD13 LEU 52 87.452 14.918 11.861 402 HD21 LEU 52 HD21 LEU 52 88.819 12.383 10.783 403 HD22 LEU 52 HD22 LEU 52 88.011 10.967 11.445 404 HD23 LEU 52 HD23 LEU 52 88.832 12.097 12.520 405 H ASP 53 HN ASP 53 83.658 11.822 13.953 406 HA ASP 53 HA ASP 53 81.997 12.641 15.354 407 HB2 ASP 53 HB2 ASP 53 83.870 12.043 17.076 408 HB3 ASP 53 HB1 ASP 53 84.046 13.780 17.212 409 H VAL 54 HN VAL 54 81.676 14.094 13.601 410 HA VAL 54 HA VAL 54 81.615 16.840 14.427 411 HB VAL 54 HB VAL 54 83.957 16.841 13.938 412 HG11 VAL 54 HG11 VAL 54 84.798 16.074 11.726 413 HG12 VAL 54 HG12 VAL 54 83.172 15.508 11.339 414 HG13 VAL 54 HG13 VAL 54 84.066 14.778 12.676 415 HG21 VAL 54 HG21 VAL 54 84.081 18.492 12.165 416 HG22 VAL 54 HG22 VAL 54 82.579 18.754 13.049 417 HG23 VAL 54 HG23 VAL 54 82.551 17.945 11.486 418 H LYS 55 HN LYS 55 80.119 17.950 13.201 419 HA LYS 55 HA LYS 55 78.471 16.402 11.431 420 HB2 LYS 55 HB2 LYS 55 78.069 18.646 12.924 421 HB3 LYS 55 HB1 LYS 55 78.216 19.364 11.324 422 HG2 LYS 55 HG2 LYS 55 75.919 18.881 11.520 423 HG3 LYS 55 HG1 LYS 55 76.538 17.563 10.558 424 HD2 LYS 55 HD2 LYS 55 76.816 16.713 13.265 425 HD3 LYS 55 HD1 LYS 55 75.232 17.458 13.149 426 HE2 LYS 55 HE2 LYS 55 75.026 15.095 12.675 427 HE3 LYS 55 HE1 LYS 55 74.709 16.006 11.202 428 HZ1 LYS 55 HZ1 LYS 55 77.022 15.619 10.544 429 HZ2 LYS 55 HZ2 LYS 55 76.172 14.162 10.750 430 HZ3 LYS 55 HZ3 LYS 55 77.266 14.686 11.939 431 H LYS 56 HN LYS 56 81.226 16.525 10.493 432 HA LYS 56 HA LYS 56 81.261 18.381 8.221 433 HB2 LYS 56 HB2 LYS 56 83.348 17.575 9.363 434 HB3 LYS 56 HB1 LYS 56 83.047 15.976 8.702 435 HG2 LYS 56 HG2 LYS 56 82.989 17.150 6.399 436 HG3 LYS 56 HG1 LYS 56 83.699 18.532 7.226 437 HD2 LYS 56 HD2 LYS 56 84.854 15.733 7.092 438 HD3 LYS 56 HD1 LYS 56 85.467 17.154 6.248 439 HE2 LYS 56 HE2 LYS 56 85.505 16.569 9.207 440 HE3 LYS 56 HE1 LYS 56 86.855 16.994 8.154 441 HZ1 LYS 56 HZ1 LYS 56 85.455 19.150 7.814 442 HZ2 LYS 56 HZ2 LYS 56 86.455 18.979 9.177 443 HZ3 LYS 56 HZ3 LYS 56 84.781 18.719 9.309 444 H ASP 57 HN ASP 57 80.980 17.816 6.048 445 HA ASP 57 HA ASP 57 78.984 15.864 5.453 446 HB2 ASP 57 HB2 ASP 57 80.987 17.036 3.503 447 HB3 ASP 57 HB1 ASP 57 79.370 16.433 3.145 448 H TRP 58 HN TRP 58 79.412 13.712 5.823 449 HA TRP 58 HA TRP 58 82.052 12.606 4.967 450 HB2 TRP 58 HB2 TRP 58 79.922 11.558 6.841 451 HB3 TRP 58 HB1 TRP 58 81.374 10.676 6.394 452 HD1 TRP 58 HD1 TRP 58 80.135 12.837 8.995 453 HE1 TRP 58 HE1 TRP 58 82.042 13.955 10.315 454 HE3 TRP 58 HE3 TRP 58 84.074 11.911 5.859 455 HZ2 TRP 58 HZ2 TRP 58 84.838 14.408 10.081 456 HZ3 TRP 58 HZ3 TRP 58 86.347 12.699 6.443 457 HH2 TRP 58 HH2 TRP 58 86.737 13.944 8.551 458 H SER 59 HN SER 59 78.564 12.210 4.597 459 HA SER 59 HA SER 59 78.275 9.814 3.263 460 HB2 SER 59 HB2 SER 59 76.270 10.980 3.390 461 HB3 SER 59 HB1 SER 59 77.006 12.497 2.880 462 HG SER 59 HG SER 59 75.787 10.604 1.405 463 H ASP 60 HN ASP 60 79.265 12.865 1.685 464 HA ASP 60 HA ASP 60 79.718 11.783 -0.894 465 HB2 ASP 60 HB2 ASP 60 79.752 14.175 -0.582 466 HB3 ASP 60 HB1 ASP 60 81.060 14.056 0.596 467 H HIS 61 HN HIS 61 81.758 11.876 1.992 468 HA HIS 61 HA HIS 61 84.093 10.749 0.713 469 HB2 HIS 61 HB2 HIS 61 83.365 10.754 3.652 470 HB3 HIS 61 HB1 HIS 61 84.967 10.525 2.965 471 HD1 HIS 61 HD1 HIS 61 86.329 12.588 3.127 472 HD2 HIS 61 HD2 HIS 61 82.300 13.479 2.530 473 HE1 HIS 61 HE1 HIS 61 86.157 15.113 3.047 474 H ALA 62 HN ALA 62 84.617 8.663 0.412 475 HA ALA 62 HA ALA 62 83.121 6.515 1.809 476 HB1 ALA 62 HB1 ALA 62 82.949 5.382 -0.538 477 HB2 ALA 62 HB2 ALA 62 83.137 7.021 -1.166 478 HB3 ALA 62 HB3 ALA 62 81.770 6.628 -0.125 479 H LEU 63 HN LEU 63 84.231 4.306 1.054 480 HA LEU 63 HA LEU 63 87.154 4.813 1.242 481 HB2 LEU 63 HB2 LEU 63 85.564 2.250 1.524 482 HB3 LEU 63 HB1 LEU 63 87.302 2.382 1.733 483 HG LEU 63 HG LEU 63 86.155 2.400 3.878 484 HD11 LEU 63 HD11 LEU 63 87.096 5.226 3.516 485 HD12 LEU 63 HD12 LEU 63 88.229 3.891 3.309 486 HD13 LEU 63 HD13 LEU 63 87.397 4.113 4.846 487 HD21 LEU 63 HD21 LEU 63 84.077 3.621 2.777 488 HD22 LEU 63 HD22 LEU 63 84.922 5.078 3.305 489 HD23 LEU 63 HD23 LEU 63 84.449 3.858 4.483 490 H TRP 64 HN TRP 64 88.620 4.180 -0.298 491 HA TRP 64 HA TRP 64 87.547 2.918 -2.810 492 HB2 TRP 64 HB2 TRP 64 88.099 4.826 -3.925 493 HB3 TRP 64 HB1 TRP 64 88.584 5.556 -2.420 494 HD1 TRP 64 HD1 TRP 64 91.297 4.338 -1.755 495 HE1 TRP 64 HE1 TRP 64 93.328 4.587 -3.309 496 HE3 TRP 64 HE3 TRP 64 88.923 5.419 -6.147 497 HZ2 TRP 64 HZ2 TRP 64 93.886 5.211 -6.042 498 HZ3 TRP 64 HZ3 TRP 64 90.232 5.861 -8.203 499 HH2 TRP 64 HH2 TRP 64 92.708 5.760 -8.158 500 H TRP 65 HN TRP 65 89.047 1.506 -3.894 501 HA TRP 65 HA TRP 65 91.259 0.524 -2.127 502 HB2 TRP 65 HB2 TRP 65 89.295 -1.017 -2.732 503 HB3 TRP 65 HB1 TRP 65 89.942 -1.016 -4.368 504 HD1 TRP 65 HD1 TRP 65 92.979 -0.813 -2.542 505 HE1 TRP 65 HE1 TRP 65 93.993 -3.115 -2.024 506 HE3 TRP 65 HE3 TRP 65 88.907 -3.785 -3.391 507 HZ2 TRP 65 HZ2 TRP 65 93.193 -5.862 -1.992 508 HZ3 TRP 65 HZ3 TRP 65 89.072 -6.240 -3.110 509 HH2 TRP 65 HH2 TRP 65 91.207 -7.282 -2.410 510 H GLU 66 HN GLU 66 92.928 1.883 -2.963 511 HA GLU 66 HA GLU 66 93.360 2.524 -5.667 512 HB2 GLU 66 HB2 GLU 66 95.786 2.767 -5.015 513 HB3 GLU 66 HB1 GLU 66 94.643 3.643 -4.008 514 HG2 GLU 66 HG2 GLU 66 94.672 1.769 -2.377 515 HG3 GLU 66 HG1 GLU 66 95.870 0.959 -3.378 516 H LYS 67 HN LYS 67 93.957 -0.539 -4.065 517 HA LYS 67 HA LYS 67 95.838 -1.504 -6.048 518 HB2 LYS 67 HB2 LYS 67 93.861 -3.201 -4.502 519 HB3 LYS 67 HB1 LYS 67 95.393 -3.718 -5.194 520 HG2 LYS 67 HG2 LYS 67 95.056 -1.750 -2.915 521 HG3 LYS 67 HG1 LYS 67 95.596 -3.418 -2.767 522 HD2 LYS 67 HD2 LYS 67 97.462 -2.765 -4.424 523 HD3 LYS 67 HD1 LYS 67 97.014 -1.097 -4.064 524 HE2 LYS 67 HE2 LYS 67 98.631 -1.428 -2.428 525 HE3 LYS 67 HE1 LYS 67 97.202 -1.965 -1.540 526 HZ1 LYS 67 HZ1 LYS 67 99.129 -3.517 -1.466 527 HZ2 LYS 67 HZ2 LYS 67 98.927 -3.781 -3.133 528 HZ3 LYS 67 HZ3 LYS 67 97.695 -4.214 -2.046 529 H LYS 68 HN LYS 68 92.653 -0.611 -6.071 530 HA LYS 68 HA LYS 68 92.097 -2.013 -8.641 531 HB2 LYS 68 HB2 LYS 68 89.874 -1.411 -6.700 532 HB3 LYS 68 HB1 LYS 68 89.950 -2.643 -7.957 533 HG2 LYS 68 HG2 LYS 68 91.718 -2.761 -5.491 534 HG3 LYS 68 HG1 LYS 68 90.112 -3.451 -5.535 535 HD2 LYS 68 HD2 LYS 68 90.671 -4.992 -7.241 536 HD3 LYS 68 HD1 LYS 68 92.148 -4.122 -7.648 537 HE2 LYS 68 HE2 LYS 68 93.317 -4.991 -5.848 538 HE3 LYS 68 HE1 LYS 68 91.876 -5.182 -4.853 539 HZ1 LYS 68 HZ1 LYS 68 93.146 -7.106 -6.405 540 HZ2 LYS 68 HZ2 LYS 68 91.653 -6.791 -7.152 541 HZ3 LYS 68 HZ3 LYS 68 91.707 -7.268 -5.522 542 H ARG 69 HN ARG 69 92.240 0.875 -6.827 543 HA ARG 69 HA ARG 69 91.543 3.066 -7.288 544 HB2 ARG 69 HB2 ARG 69 91.779 1.909 -10.086 545 HB3 ARG 69 HB1 ARG 69 91.355 3.590 -9.797 546 HG2 ARG 69 HG2 ARG 69 93.667 3.764 -10.035 547 HG3 ARG 69 HG1 ARG 69 93.538 3.579 -8.289 548 HD2 ARG 69 HD2 ARG 69 95.216 2.035 -8.940 549 HD3 ARG 69 HD1 ARG 69 93.768 1.061 -8.710 550 HE ARG 69 HE ARG 69 93.807 0.570 -11.012 551 HH11 ARG 69 HH11 ARG 69 94.607 0.794 -13.112 552 HH12 ARG 69 HH12 ARG 69 95.685 2.099 -13.479 553 HH21 ARG 69 HH21 ARG 69 95.658 3.379 -10.256 554 HH22 ARG 69 HH22 ARG 69 96.281 3.562 -11.861 555 H THR 70 HN THR 70 89.573 1.370 -6.433 556 HA THR 70 HA THR 70 87.220 1.950 -8.208 557 HB THR 70 HB THR 70 87.878 -0.452 -7.527 558 HG1 THR 70 HG1 THR 70 85.859 0.020 -8.365 559 HG21 THR 70 HG21 THR 70 88.192 0.358 -5.069 560 HG22 THR 70 HG22 THR 70 87.464 -1.221 -5.365 561 HG23 THR 70 HG23 THR 70 86.442 0.162 -4.968 562 H TRP 71 HN TRP 71 85.208 1.761 -6.510 563 HA TRP 71 HA TRP 71 85.734 3.626 -4.244 564 HB2 TRP 71 HB2 TRP 71 83.317 4.467 -4.774 565 HB3 TRP 71 HB1 TRP 71 84.663 5.124 -5.684 566 HD1 TRP 71 HD1 TRP 71 83.540 1.620 -6.627 567 HE1 TRP 71 HE1 TRP 71 82.325 1.707 -8.854 568 HE3 TRP 71 HE3 TRP 71 83.150 6.677 -7.233 569 HZ2 TRP 71 HZ2 TRP 71 81.323 3.638 -10.714 570 HZ3 TRP 71 HZ3 TRP 71 82.062 7.610 -9.255 571 HH2 TRP 71 HH2 TRP 71 81.148 6.098 -10.996 572 H LEU 72 HN LEU 72 85.629 2.080 -2.702 573 HA LEU 72 HA LEU 72 84.000 -0.216 -2.795 574 HB2 LEU 72 HB2 LEU 72 85.044 1.235 -0.377 575 HB3 LEU 72 HB1 LEU 72 84.504 -0.435 -0.401 576 HG LEU 72 HG LEU 72 86.675 0.595 -2.224 577 HD11 LEU 72 HD11 LEU 72 87.600 1.009 -0.108 578 HD12 LEU 72 HD12 LEU 72 88.220 -0.583 -0.542 579 HD13 LEU 72 HD13 LEU 72 86.874 -0.438 0.592 580 HD21 LEU 72 HD21 LEU 72 85.620 -2.117 -1.461 581 HD22 LEU 72 HD22 LEU 72 87.287 -1.947 -2.002 582 HD23 LEU 72 HD23 LEU 72 85.966 -1.464 -3.064 583 H LEU 73 HN LEU 73 82.014 0.539 -3.504 584 HA LEU 73 HA LEU 73 80.242 1.681 -1.376 585 HB2 LEU 73 HB2 LEU 73 78.775 2.467 -3.256 586 HB3 LEU 73 HB1 LEU 73 80.346 3.258 -3.219 587 HG LEU 73 HG LEU 73 80.938 1.170 -4.884 588 HD11 LEU 73 HD11 LEU 73 79.162 0.593 -6.323 589 HD12 LEU 73 HD12 LEU 73 78.145 1.920 -5.760 590 HD13 LEU 73 HD13 LEU 73 78.418 0.526 -4.727 591 HD21 LEU 73 HD21 LEU 73 79.587 3.735 -5.785 592 HD22 LEU 73 HD22 LEU 73 80.688 2.743 -6.739 593 HD23 LEU 73 HD23 LEU 73 81.278 3.603 -5.322 594 H LYS 74 HN LYS 74 81.218 -1.067 -2.672 595 HA LYS 74 HA LYS 74 78.637 -2.307 -3.312 596 HB2 LYS 74 HB2 LYS 74 81.510 -3.200 -3.269 597 HB3 LYS 74 HB1 LYS 74 80.258 -4.431 -3.185 598 HG2 LYS 74 HG2 LYS 74 80.910 -4.032 -5.518 599 HG3 LYS 74 HG1 LYS 74 79.238 -3.559 -5.250 600 HD2 LYS 74 HD2 LYS 74 80.414 -1.863 -6.587 601 HD3 LYS 74 HD1 LYS 74 79.934 -1.203 -5.028 602 HE2 LYS 74 HE2 LYS 74 82.370 -0.778 -5.905 603 HE3 LYS 74 HE1 LYS 74 82.123 -1.184 -4.211 604 HZ1 LYS 74 HZ1 LYS 74 82.816 -3.363 -4.552 605 HZ2 LYS 74 HZ2 LYS 74 83.899 -2.453 -5.494 606 HZ3 LYS 74 HZ3 LYS 74 82.610 -3.278 -6.234 607 H THR 75 HN THR 75 78.199 -1.327 -0.906 608 HA THR 75 HA THR 75 79.069 -2.628 1.414 609 HB THR 75 HB THR 75 76.165 -1.930 0.943 610 HG1 THR 75 HG1 THR 75 77.329 0.167 1.859 611 HG21 THR 75 HG21 THR 75 77.745 -1.205 3.380 612 HG22 THR 75 HG22 THR 75 77.271 -2.894 3.180 613 HG23 THR 75 HG23 THR 75 76.042 -1.632 3.241 614 H HIS 76 HN HIS 76 77.467 -3.983 -1.242 615 HA HIS 76 HA HIS 76 75.914 -6.028 0.015 616 HB2 HIS 76 HB2 HIS 76 77.326 -6.082 -2.671 617 HB3 HIS 76 HB1 HIS 76 76.027 -7.163 -2.167 618 HD1 HIS 76 HD1 HIS 76 76.546 -4.119 -3.977 619 HD2 HIS 76 HD2 HIS 76 73.585 -5.487 -1.382 620 HE1 HIS 76 HE1 HIS 76 74.517 -2.656 -4.372 621 H TRP 77 HN TRP 77 76.459 -8.204 0.422 622 HA TRP 77 HA TRP 77 77.775 -9.907 1.263 623 HB2 TRP 77 HB2 TRP 77 79.619 -8.894 -0.883 624 HB3 TRP 77 HB1 TRP 77 79.797 -10.430 -0.053 625 HD1 TRP 77 HD1 TRP 77 78.421 -9.019 -3.067 626 HE1 TRP 77 HE1 TRP 77 76.670 -10.564 -4.116 627 HE3 TRP 77 HE3 TRP 77 77.581 -12.200 0.839 628 HZ2 TRP 77 HZ2 TRP 77 75.097 -12.851 -3.416 629 HZ3 TRP 77 HZ3 TRP 77 75.950 -14.053 0.618 630 HH2 TRP 77 HH2 TRP 77 74.708 -14.382 -1.502 631 H THR 78 HN THR 78 80.914 -9.281 0.824 632 HA THR 78 HA THR 78 81.229 -7.314 3.009 633 HB THR 78 HB THR 78 82.594 -9.778 3.837 634 HG1 THR 78 HG1 THR 78 81.047 -11.149 3.665 635 HG21 THR 78 HG21 THR 78 80.714 -7.775 5.053 636 HG22 THR 78 HG22 THR 78 82.270 -8.371 5.630 637 HG23 THR 78 HG23 THR 78 80.824 -9.365 5.788 638 H LEU 79 HN LEU 79 83.723 -7.987 3.901 639 HA LEU 79 HA LEU 79 85.488 -6.937 1.851 640 HB2 LEU 79 HB2 LEU 79 85.964 -8.248 4.535 641 HB3 LEU 79 HB1 LEU 79 87.278 -7.650 3.541 642 HG LEU 79 HG LEU 79 86.422 -5.377 3.689 643 HD11 LEU 79 HD11 LEU 79 84.115 -6.722 5.090 644 HD12 LEU 79 HD12 LEU 79 84.055 -5.672 3.671 645 HD13 LEU 79 HD13 LEU 79 84.428 -4.997 5.254 646 HD21 LEU 79 HD21 LEU 79 86.432 -5.145 6.257 647 HD22 LEU 79 HD22 LEU 79 87.836 -5.930 5.532 648 HD23 LEU 79 HD23 LEU 79 86.583 -6.905 6.306 649 H ASP 80 HN ASP 80 85.291 -9.994 3.597 650 HA ASP 80 HA ASP 80 87.116 -11.596 2.289 651 HB2 ASP 80 HB2 ASP 80 85.573 -12.202 4.182 652 HB3 ASP 80 HB1 ASP 80 84.305 -12.455 2.987 653 H LYS 81 HN LYS 81 83.766 -10.988 1.237 654 HA LYS 81 HA LYS 81 83.863 -12.677 -1.006 655 HB2 LYS 81 HB2 LYS 81 81.681 -12.106 -0.882 656 HB3 LYS 81 HB1 LYS 81 82.074 -10.719 0.114 657 HG2 LYS 81 HG2 LYS 81 82.482 -10.570 -2.870 658 HG3 LYS 81 HG1 LYS 81 80.878 -10.372 -2.202 659 HD2 LYS 81 HD2 LYS 81 81.811 -8.614 -0.693 660 HD3 LYS 81 HD1 LYS 81 83.308 -8.711 -1.565 661 HE2 LYS 81 HE2 LYS 81 81.873 -8.325 -3.688 662 HE3 LYS 81 HE1 LYS 81 80.644 -7.770 -2.556 663 HZ1 LYS 81 HZ1 LYS 81 82.661 -6.263 -3.562 664 HZ2 LYS 81 HZ2 LYS 81 83.231 -6.672 -2.015 665 HZ3 LYS 81 HZ3 LYS 81 81.736 -5.885 -2.192 666 H TYR 82 HN TYR 82 85.073 -9.461 -0.516 667 HA TYR 82 HA TYR 82 85.710 -9.127 -3.368 668 HB2 TYR 82 HB2 TYR 82 85.196 -7.342 -1.368 669 HB3 TYR 82 HB1 TYR 82 86.949 -7.335 -1.323 670 HD1 TYR 82 HD1 TYR 82 87.437 -7.881 -4.301 671 HD2 TYR 82 HD2 TYR 82 84.793 -5.173 -2.269 672 HE1 TYR 82 HE1 TYR 82 87.461 -6.382 -6.270 673 HE2 TYR 82 HE2 TYR 82 84.821 -3.672 -4.241 674 HH TYR 82 HH TYR 82 85.247 -3.932 -6.741 675 H GLY 83 HN GLY 83 87.476 -9.637 -0.308 676 HA2 GLY 83 HA2 GLY 83 89.331 -11.331 -0.370 677 HA3 GLY 83 HA1 GLY 83 89.823 -10.637 -1.916 678 H ILE 84 HN ILE 84 88.667 -8.370 0.320 679 HA ILE 84 HA ILE 84 91.222 -7.027 0.486 680 HB ILE 84 HB ILE 84 88.611 -6.596 1.951 681 HG12 ILE 84 HG12 ILE 84 89.709 -4.830 -0.236 682 HG13 ILE 84 HG11 ILE 84 88.885 -6.328 -0.666 683 HG21 ILE 84 HG21 ILE 84 89.619 -4.266 2.275 684 HG22 ILE 84 HG22 ILE 84 91.172 -4.993 1.849 685 HG23 ILE 84 HG23 ILE 84 90.286 -5.559 3.267 686 HD11 ILE 84 HD11 ILE 84 86.855 -5.639 0.333 687 HD12 ILE 84 HD12 ILE 84 87.444 -4.194 -0.492 688 HD13 ILE 84 HD13 ILE 84 87.647 -4.357 1.252 689 H GLN 85 HN GLN 85 92.268 -6.486 2.567 690 HA GLN 85 HA GLN 85 91.715 -7.961 4.967 691 HB2 GLN 85 HB2 GLN 85 92.877 -9.607 3.151 692 HB3 GLN 85 HB1 GLN 85 94.329 -8.869 3.815 693 HG2 GLN 85 HG2 GLN 85 94.090 -10.645 5.296 694 HG3 GLN 85 HG1 GLN 85 93.146 -9.422 6.143 695 HE21 GLN 85 HE21 GLN 85 90.794 -9.416 4.611 696 HE22 GLN 85 HE22 GLN 85 90.033 -10.919 4.746 697 H ALA 86 HN ALA 86 94.109 -7.911 6.222 698 HA ALA 86 HA ALA 86 94.581 -5.108 6.604 699 HB1 ALA 86 HB1 ALA 86 95.851 -7.644 7.581 700 HB2 ALA 86 HB2 ALA 86 95.001 -6.409 8.510 701 HB3 ALA 86 HB3 ALA 86 96.634 -6.100 7.921 702 H ASP 87 HN ASP 87 95.922 -7.423 4.430 703 HA ASP 87 HA ASP 87 98.409 -5.935 4.018 704 HB2 ASP 87 HB2 ASP 87 98.789 -7.519 2.192 705 HB3 ASP 87 HB1 ASP 87 98.244 -8.396 3.623 706 H ALA 88 HN ALA 88 95.157 -5.863 2.934 707 HA ALA 88 HA ALA 88 95.827 -4.087 0.622 708 HB1 ALA 88 HB1 ALA 88 93.380 -5.648 1.448 709 HB2 ALA 88 HB2 ALA 88 94.347 -5.847 -0.007 710 HB3 ALA 88 HB3 ALA 88 93.324 -4.420 0.181 711 H LYS 89 HN LYS 89 95.905 -1.920 1.339 712 HA LYS 89 HA LYS 89 94.093 -1.178 3.557 713 HB2 LYS 89 HB2 LYS 89 95.365 0.978 3.493 714 HB3 LYS 89 HB1 LYS 89 96.276 -0.444 3.994 715 HG2 LYS 89 HG2 LYS 89 97.081 -0.653 1.651 716 HG3 LYS 89 HG1 LYS 89 96.276 0.861 1.290 717 HD2 LYS 89 HD2 LYS 89 98.381 1.675 1.827 718 HD3 LYS 89 HD1 LYS 89 97.586 1.720 3.403 719 HE2 LYS 89 HE2 LYS 89 99.480 0.559 4.035 720 HE3 LYS 89 HE1 LYS 89 98.532 -0.815 3.464 721 HZ1 LYS 89 HZ1 LYS 89 99.964 0.566 1.383 722 HZ2 LYS 89 HZ2 LYS 89 99.857 -1.097 1.711 723 HZ3 LYS 89 HZ3 LYS 89 100.974 -0.132 2.552 724 H LEU 90 HN LEU 90 93.271 1.143 3.342 725 HA LEU 90 HA LEU 90 92.274 1.700 0.588 726 HB2 LEU 90 HB2 LEU 90 90.318 2.009 2.841 727 HB3 LEU 90 HB1 LEU 90 90.025 1.622 1.148 728 HG LEU 90 HG LEU 90 91.263 -0.267 3.154 729 HD11 LEU 90 HD11 LEU 90 88.978 -1.431 2.844 730 HD12 LEU 90 HD12 LEU 90 88.427 0.131 2.241 731 HD13 LEU 90 HD13 LEU 90 89.050 -0.009 3.884 732 HD21 LEU 90 HD21 LEU 90 91.706 -1.644 1.394 733 HD22 LEU 90 HD22 LEU 90 91.206 -0.356 0.292 734 HD23 LEU 90 HD23 LEU 90 90.033 -1.543 0.846 735 H GLN 91 HN GLN 91 90.898 3.831 0.817 736 HA GLN 91 HA GLN 91 92.311 5.785 2.575 737 HB2 GLN 91 HB2 GLN 91 91.397 6.349 -0.267 738 HB3 GLN 91 HB1 GLN 91 92.381 7.387 0.761 739 HG2 GLN 91 HG2 GLN 91 94.319 6.141 0.404 740 HG3 GLN 91 HG1 GLN 91 93.443 4.656 0.088 741 HE21 GLN 91 HE21 GLN 91 92.154 7.369 -1.542 742 HE22 GLN 91 HE22 GLN 91 92.804 7.030 -3.065 743 H PHE 92 HN PHE 92 90.828 7.831 2.713 744 HA PHE 92 HA PHE 92 87.958 7.090 2.338 745 HB2 PHE 92 HB2 PHE 92 88.496 6.703 4.684 746 HB3 PHE 92 HB1 PHE 92 89.198 8.300 4.828 747 HD1 PHE 92 HD1 PHE 92 87.839 9.423 6.372 748 HD2 PHE 92 HD2 PHE 92 85.946 7.226 3.192 749 HE1 PHE 92 HE1 PHE 92 85.634 10.290 7.071 750 HE2 PHE 92 HE2 PHE 92 83.755 8.108 3.892 751 HZ PHE 92 HZ PHE 92 83.590 9.635 5.831 752 H THR 93 HN THR 93 87.601 8.392 0.642 753 HA THR 93 HA THR 93 87.728 11.319 1.108 754 HB THR 93 HB THR 93 89.874 11.130 0.190 755 HG1 THR 93 HG1 THR 93 89.458 11.393 -2.232 756 HG21 THR 93 HG21 THR 93 90.363 9.531 -1.710 757 HG22 THR 93 HG22 THR 93 88.737 8.884 -1.494 758 HG23 THR 93 HG23 THR 93 89.919 8.747 -0.194 759 HA PRO 94 HA PRO 94 83.996 11.862 -1.273 760 HB2 PRO 94 HB2 PRO 94 85.863 13.187 -3.228 761 HB3 PRO 94 HB1 PRO 94 84.244 13.700 -2.705 762 HG2 PRO 94 HG2 PRO 94 86.491 14.757 -1.655 763 HG3 PRO 94 HG1 PRO 94 85.008 14.547 -0.708 764 HD2 PRO 94 HD2 PRO 94 87.567 13.139 -0.409 765 HD3 PRO 94 HD1 PRO 94 86.166 13.130 0.677 766 H TYR 541 HT1 TYR 541 49.217 32.806 15.078 767 HA TYR 541 HA TYR 541 48.258 34.468 16.207 768 HB2 TYR 541 HB2 TYR 541 51.219 35.060 16.356 769 HB3 TYR 541 HB1 TYR 541 50.048 35.987 17.293 770 HD1 TYR 541 HD1 TYR 541 48.585 34.832 18.962 771 HD2 TYR 541 HD2 TYR 541 51.804 32.812 16.958 772 HE1 TYR 541 HE1 TYR 541 48.515 33.031 20.666 773 HE2 TYR 541 HE2 TYR 541 51.733 31.011 18.663 774 HH TYR 541 HH TYR 541 50.951 30.502 20.767 775 H HIS 542 HN HIS 542 50.881 36.453 14.826 776 HA HIS 542 HA HIS 542 49.020 38.605 14.249 777 HB2 HIS 542 HB2 HIS 542 51.961 38.135 13.746 778 HB3 HIS 542 HB1 HIS 542 51.140 39.545 13.089 779 HD1 HIS 542 HD1 HIS 542 49.532 38.746 16.185 780 HD2 HIS 542 HD2 HIS 542 53.046 40.740 15.161 781 HE1 HIS 542 HE1 HIS 542 50.187 40.127 18.205 782 H GLU 543 HN GLU 543 51.398 37.436 11.906 783 HA GLU 543 HA GLU 543 49.194 36.901 9.944 784 HB2 GLU 543 HB2 GLU 543 50.712 37.997 8.222 785 HB3 GLU 543 HB1 GLU 543 49.974 39.103 9.382 786 HG2 GLU 543 HG2 GLU 543 51.982 39.323 10.625 787 HG3 GLU 543 HG1 GLU 543 52.705 37.902 9.870 788 H ARG 544 HN ARG 544 51.782 35.676 11.559 789 HA ARG 544 HA ARG 544 53.563 34.433 9.913 790 HB2 ARG 544 HB2 ARG 544 52.023 33.258 12.231 791 HB3 ARG 544 HB1 ARG 544 53.311 32.376 11.425 792 HG2 ARG 544 HG2 ARG 544 54.275 33.532 13.319 793 HG3 ARG 544 HG1 ARG 544 54.845 34.308 11.851 794 HD2 ARG 544 HD2 ARG 544 53.470 36.175 12.139 795 HD3 ARG 544 HD1 ARG 544 52.357 35.328 13.201 796 HE ARG 544 HE ARG 544 54.693 36.848 13.967 797 HH11 ARG 544 HH11 ARG 544 55.649 36.646 15.984 798 HH12 ARG 544 HH12 ARG 544 55.237 35.300 16.994 799 HH21 ARG 544 HH21 ARG 544 53.005 33.933 14.728 800 HH22 ARG 544 HH22 ARG 544 53.746 33.769 16.285 801 H ARG 545 HN ARG 545 53.564 32.892 8.305 802 HA ARG 545 HA ARG 545 50.918 31.705 7.538 803 HB2 ARG 545 HB2 ARG 545 52.297 31.531 5.254 804 HB3 ARG 545 HB1 ARG 545 51.460 33.014 5.698 805 HG2 ARG 545 HG2 ARG 545 54.287 32.650 6.662 806 HG3 ARG 545 HG1 ARG 545 54.037 33.035 4.967 807 HD2 ARG 545 HD2 ARG 545 52.603 34.666 7.037 808 HD3 ARG 545 HD1 ARG 545 54.311 34.976 6.734 809 HE ARG 545 HE ARG 545 53.190 34.940 4.202 810 HH11 ARG 545 HH11 ARG 545 52.390 36.803 3.204 811 HH12 ARG 545 HH12 ARG 545 51.853 38.130 4.180 812 HH21 ARG 545 HH21 ARG 545 52.575 36.558 7.184 813 HH22 ARG 545 HH22 ARG 545 51.958 37.991 6.432 814 H GLY 546 HN GLY 546 54.424 31.056 7.370 815 HA2 GLY 546 HA2 GLY 546 54.271 28.363 6.587 816 HA3 GLY 546 HA1 GLY 546 55.608 29.046 7.504 817 H SER 547 HN SER 547 55.960 28.119 9.402 818 HA SER 547 HA SER 547 53.884 27.422 11.297 819 HB2 SER 547 HB2 SER 547 55.084 25.318 9.520 820 HB3 SER 547 HB1 SER 547 54.780 24.905 11.206 821 HG SER 547 HG SER 547 52.700 24.952 10.831 822 H LEU 548 HN LEU 548 54.968 27.922 13.176 823 HA LEU 548 HA LEU 548 57.726 28.409 13.258 824 HB2 LEU 548 HB2 LEU 548 55.568 28.131 15.262 825 HB3 LEU 548 HB1 LEU 548 57.185 27.849 15.896 826 HG LEU 548 HG LEU 548 57.874 30.048 14.794 827 HD11 LEU 548 HD11 LEU 548 56.190 30.408 13.183 828 HD12 LEU 548 HD12 LEU 548 55.861 31.604 14.431 829 HD13 LEU 548 HD13 LEU 548 54.895 30.134 14.344 830 HD21 LEU 548 HD21 LEU 548 57.198 29.719 17.248 831 HD22 LEU 548 HD22 LEU 548 55.654 30.437 16.789 832 HD23 LEU 548 HD23 LEU 548 57.148 31.360 16.605 833 H CYS 549 HN CYS 549 59.524 27.220 13.609 834 HA CYS 549 HA CYS 549 59.221 24.288 13.661 835 HB2 CYS 549 HB2 CYS 549 60.986 24.971 12.249 836 HB3 CYS 549 HB1 CYS 549 61.492 26.243 13.345 837 H SER 550 HN SER 550 58.603 23.657 15.641 838 HA SER 550 HA SER 550 58.982 24.896 18.089 839 HB2 SER 550 HB2 SER 550 57.499 23.109 18.123 840 HB3 SER 550 HB1 SER 550 58.634 22.020 17.328 841 HG SER 550 HG SER 550 58.295 21.817 19.711 842 H GLY 551 HN GLY 551 60.641 25.332 19.284 843 HA2 GLY 551 HA2 GLY 551 62.715 24.633 20.455 844 HA3 GLY 551 HA1 GLY 551 63.182 23.768 18.984 845 H CYS 552 HN CYS 552 62.229 25.726 17.188 846 HA CYS 552 HA CYS 552 64.346 27.811 17.460 847 HB2 CYS 552 HB2 CYS 552 62.861 26.510 15.186 848 HB3 CYS 552 HB1 CYS 552 63.585 28.093 14.957 849 H GLN 553 HN GLN 553 60.944 27.164 16.906 850 HA GLN 553 HA GLN 553 59.096 28.506 16.883 851 HB2 GLN 553 HB2 GLN 553 60.767 30.096 18.808 852 HB3 GLN 553 HB1 GLN 553 59.049 30.379 18.509 853 HG2 GLN 553 HG2 GLN 553 60.196 27.718 19.358 854 HG3 GLN 553 HG1 GLN 553 59.494 28.872 20.472 855 HE21 GLN 553 HE21 GLN 553 58.760 26.731 17.749 856 HE22 GLN 553 HE22 GLN 553 57.088 26.639 18.034 857 H LYS 554 HN LYS 554 60.231 28.739 14.725 858 HA LYS 554 HA LYS 554 59.982 31.583 13.945 859 HB2 LYS 554 HB2 LYS 554 62.224 29.752 13.047 860 HB3 LYS 554 HB1 LYS 554 61.896 31.335 12.354 861 HG2 LYS 554 HG2 LYS 554 62.516 30.855 15.279 862 HG3 LYS 554 HG1 LYS 554 63.714 31.347 14.088 863 HD2 LYS 554 HD2 LYS 554 62.019 33.301 13.591 864 HD3 LYS 554 HD1 LYS 554 61.380 32.901 15.185 865 HE2 LYS 554 HE2 LYS 554 63.580 33.243 16.193 866 HE3 LYS 554 HE1 LYS 554 64.282 33.559 14.606 867 HZ1 LYS 554 HZ1 LYS 554 63.750 35.601 15.819 868 HZ2 LYS 554 HZ2 LYS 554 62.111 35.154 15.856 869 HZ3 LYS 554 HZ3 LYS 554 62.873 35.479 14.373 870 HA PRO 555 HA PRO 555 57.013 29.412 11.292 871 HB2 PRO 555 HB2 PRO 555 57.703 31.556 9.356 872 HB3 PRO 555 HB1 PRO 555 56.113 31.005 9.900 873 HG2 PRO 555 HG2 PRO 555 57.277 33.314 10.803 874 HG3 PRO 555 HG1 PRO 555 56.144 32.367 11.773 875 HD2 PRO 555 HD2 PRO 555 59.052 32.724 12.168 876 HD3 PRO 555 HD1 PRO 555 57.841 32.088 13.307 877 H ILE 556 HN ILE 556 57.238 27.774 9.952 878 HA ILE 556 HA ILE 556 59.783 27.364 8.489 879 HB ILE 556 HB ILE 556 57.388 25.590 9.085 880 HG12 ILE 556 HG12 ILE 556 60.224 25.108 9.985 881 HG13 ILE 556 HG11 ILE 556 59.242 26.254 10.872 882 HG21 ILE 556 HG21 ILE 556 59.890 25.087 7.477 883 HG22 ILE 556 HG22 ILE 556 58.212 24.858 6.984 884 HG23 ILE 556 HG23 ILE 556 58.933 23.790 8.185 885 HD11 ILE 556 HD11 ILE 556 59.282 23.593 11.423 886 HD12 ILE 556 HD12 ILE 556 57.936 23.636 10.288 887 HD13 ILE 556 HD13 ILE 556 57.889 24.617 11.752 888 H THR 557 HN THR 557 59.581 28.666 6.633 889 HA THR 557 HA THR 557 57.069 28.495 5.048 890 HB THR 557 HB THR 557 57.745 30.497 4.020 891 HG1 THR 557 HG1 THR 557 59.773 30.218 3.378 892 HG21 THR 557 HG21 THR 557 58.186 31.947 5.876 893 HG22 THR 557 HG22 THR 557 59.007 30.661 6.761 894 HG23 THR 557 HG23 THR 557 57.262 30.586 6.518 895 H GLY 558 HN GLY 558 57.275 26.485 4.089 896 HA2 GLY 558 HA2 GLY 558 58.177 26.151 1.558 897 HA3 GLY 558 HA1 GLY 558 59.634 25.784 2.492 898 H ARG 559 HN ARG 559 59.720 23.913 3.672 899 HA ARG 559 HA ARG 559 57.410 22.021 3.461 900 HB2 ARG 559 HB2 ARG 559 60.399 21.657 3.280 901 HB3 ARG 559 HB1 ARG 559 59.414 20.329 3.893 902 HG2 ARG 559 HG2 ARG 559 58.629 21.711 1.332 903 HG3 ARG 559 HG1 ARG 559 59.909 20.502 1.308 904 HD2 ARG 559 HD2 ARG 559 58.463 18.763 1.876 905 HD3 ARG 559 HD1 ARG 559 57.325 19.832 2.692 906 HE ARG 559 HE ARG 559 57.195 20.621 0.037 907 HH11 ARG 559 HH11 ARG 559 55.721 19.715 -1.418 908 HH12 ARG 559 HH12 ARG 559 55.107 18.122 -1.129 909 HH21 ARG 559 HH21 ARG 559 56.905 17.674 1.802 910 HH22 ARG 559 HH22 ARG 559 55.777 16.966 0.695 911 H CYS 560 HN CYS 560 57.022 20.770 5.418 912 HA CYS 560 HA CYS 560 58.537 21.631 7.813 913 HB2 CYS 560 HB2 CYS 560 56.469 22.119 9.064 914 HB3 CYS 560 HB1 CYS 560 56.705 23.231 7.713 915 HG CYS 560 HG CYS 560 54.791 20.769 7.434 916 H ILE 561 HN ILE 561 59.002 20.028 9.047 917 HA ILE 561 HA ILE 561 57.650 17.431 8.678 918 HB ILE 561 HB ILE 561 60.026 18.290 10.356 919 HG12 ILE 561 HG12 ILE 561 59.734 16.851 7.725 920 HG13 ILE 561 HG11 ILE 561 60.378 18.469 7.952 921 HG21 ILE 561 HG21 ILE 561 59.144 15.476 9.657 922 HG22 ILE 561 HG22 ILE 561 58.784 16.238 11.214 923 HG23 ILE 561 HG23 ILE 561 60.458 15.954 10.732 924 HD11 ILE 561 HD11 ILE 561 61.583 15.863 8.905 925 HD12 ILE 561 HD12 ILE 561 62.144 17.450 9.440 926 HD13 ILE 561 HD13 ILE 561 62.265 17.000 7.738 927 H THR 562 HN THR 562 56.560 16.461 10.318 928 HA THR 562 HA THR 562 55.911 18.129 12.720 929 HB THR 562 HB THR 562 53.983 16.183 11.470 930 HG1 THR 562 HG1 THR 562 54.331 17.781 9.955 931 HG21 THR 562 HG21 THR 562 53.769 16.910 13.880 932 HG22 THR 562 HG22 THR 562 52.375 17.288 12.866 933 HG23 THR 562 HG23 THR 562 53.531 18.553 13.283 934 H ALA 563 HN ALA 563 55.720 17.095 14.619 935 HA ALA 563 HA ALA 563 56.623 14.246 14.715 936 HB1 ALA 563 HB1 ALA 563 57.921 14.803 16.654 937 HB2 ALA 563 HB2 ALA 563 57.202 16.414 16.735 938 HB3 ALA 563 HB3 ALA 563 58.301 16.006 15.413 939 H MET 564 HN MET 564 56.239 15.069 17.747 940 HA MET 564 HA MET 564 53.755 13.695 18.123 941 HB2 MET 564 HB2 MET 564 54.922 15.596 20.142 942 HB3 MET 564 HB1 MET 564 54.146 14.032 20.407 943 HG2 MET 564 HG2 MET 564 56.142 13.035 19.099 944 HG3 MET 564 HG1 MET 564 56.911 14.600 19.351 945 HE1 MET 564 HE1 MET 564 56.837 11.098 20.813 946 HE2 MET 564 HE2 MET 564 58.213 11.630 21.776 947 HE3 MET 564 HE3 MET 564 58.115 12.073 20.073 948 H ALA 565 HN ALA 565 53.815 16.095 16.430 949 HA ALA 565 HA ALA 565 51.859 17.412 15.851 950 HB1 ALA 565 HB1 ALA 565 51.724 18.187 18.779 951 HB2 ALA 565 HB2 ALA 565 50.727 16.902 18.083 952 HB3 ALA 565 HB3 ALA 565 50.560 18.558 17.511 953 H LYS 566 HN LYS 566 54.782 17.716 17.406 954 HA LYS 566 HA LYS 566 54.969 20.643 17.308 955 HB2 LYS 566 HB2 LYS 566 57.169 18.579 17.602 956 HB3 LYS 566 HB1 LYS 566 57.260 20.280 18.018 957 HG2 LYS 566 HG2 LYS 566 55.336 18.327 19.311 958 HG3 LYS 566 HG1 LYS 566 56.898 18.756 19.988 959 HD2 LYS 566 HD2 LYS 566 55.764 20.427 21.072 960 HD3 LYS 566 HD1 LYS 566 55.809 21.266 19.525 961 HE2 LYS 566 HE2 LYS 566 53.528 21.329 20.031 962 HE3 LYS 566 HE1 LYS 566 53.615 19.874 19.041 963 HZ1 LYS 566 HZ1 LYS 566 53.804 18.559 21.065 964 HZ2 LYS 566 HZ2 LYS 566 52.369 19.468 21.055 965 HZ3 LYS 566 HZ3 LYS 566 53.686 19.965 22.007 966 H LYS 567 HN LYS 567 56.194 21.799 15.730 967 HA LYS 567 HA LYS 567 56.481 20.360 13.142 968 HB2 LYS 567 HB2 LYS 567 56.976 23.294 13.457 969 HB3 LYS 567 HB1 LYS 567 56.269 22.435 12.103 970 HG2 LYS 567 HG2 LYS 567 54.952 22.947 14.793 971 HG3 LYS 567 HG1 LYS 567 54.544 23.728 13.273 972 HD2 LYS 567 HD2 LYS 567 54.298 20.723 13.746 973 HD3 LYS 567 HD1 LYS 567 52.971 21.873 13.898 974 HE2 LYS 567 HE2 LYS 567 53.512 22.607 11.505 975 HE3 LYS 567 HE1 LYS 567 54.518 21.164 11.407 976 HZ1 LYS 567 HZ1 LYS 567 52.217 20.231 12.468 977 HZ2 LYS 567 HZ2 LYS 567 52.646 20.138 10.827 978 HZ3 LYS 567 HZ3 LYS 567 51.657 21.404 11.379 979 H PHE 568 HN PHE 568 58.524 21.229 11.820 980 HA PHE 568 HA PHE 568 60.833 21.821 13.529 981 HB2 PHE 568 HB2 PHE 568 60.132 19.056 12.910 982 HB3 PHE 568 HB1 PHE 568 61.701 19.423 12.227 983 HD1 PHE 568 HD1 PHE 568 59.905 18.572 15.213 984 HD2 PHE 568 HD2 PHE 568 63.426 20.581 13.790 985 HE1 PHE 568 HE1 PHE 568 60.928 18.371 17.462 986 HE2 PHE 568 HE2 PHE 568 64.449 20.378 16.041 987 HZ PHE 568 HZ PHE 568 63.200 19.273 17.876 988 H HIS 569 HN HIS 569 62.416 22.776 12.336 989 HA HIS 569 HA HIS 569 61.971 23.558 9.647 990 HB2 HIS 569 HB2 HIS 569 64.364 23.412 11.430 991 HB3 HIS 569 HB1 HIS 569 64.629 23.739 9.730 992 HD2 HIS 569 HD2 HIS 569 62.765 26.076 8.926 993 HE1 HIS 569 HE1 HIS 569 63.506 27.864 12.672 994 HA PRO 570 HA PRO 570 62.536 19.302 8.063 995 HB2 PRO 570 HB2 PRO 570 63.170 20.775 5.538 996 HB3 PRO 570 HB1 PRO 570 62.022 19.454 5.811 997 HG2 PRO 570 HG2 PRO 570 61.227 22.045 5.487 998 HG3 PRO 570 HG1 PRO 570 60.328 20.883 6.467 999 HD2 PRO 570 HD2 PRO 570 61.943 23.202 7.359 1000 HD3 PRO 570 HD1 PRO 570 60.674 22.308 8.231 1001 H GLU 571 HN GLU 571 64.774 21.870 8.266 1002 HA GLU 571 HA GLU 571 67.078 20.277 7.306 1003 HB2 GLU 571 HB2 GLU 571 67.244 23.063 8.431 1004 HB3 GLU 571 HB1 GLU 571 68.264 22.292 7.217 1005 HG2 GLU 571 HG2 GLU 571 66.212 22.190 5.729 1006 HG3 GLU 571 HG1 GLU 571 65.416 23.232 6.914 1007 H HIS 572 HN HIS 572 66.136 22.166 10.169 1008 HA HIS 572 HA HIS 572 68.305 21.317 11.803 1009 HB2 HIS 572 HB2 HIS 572 65.519 22.037 12.769 1010 HB3 HIS 572 HB1 HIS 572 67.018 22.152 13.690 1011 HD2 HIS 572 HD2 HIS 572 68.580 23.395 10.824 1012 HE1 HIS 572 HE1 HIS 572 66.248 26.778 11.740 1013 H PHE 573 HN PHE 573 65.943 19.419 10.473 1014 HA PHE 573 HA PHE 573 66.423 17.280 12.524 1015 HB2 PHE 573 HB2 PHE 573 64.015 18.305 12.391 1016 HB3 PHE 573 HB1 PHE 573 63.902 17.407 10.883 1017 HD1 PHE 573 HD1 PHE 573 64.901 16.948 14.463 1018 HD2 PHE 573 HD2 PHE 573 63.232 15.155 10.934 1019 HE1 PHE 573 HE1 PHE 573 64.436 14.872 15.737 1020 HE2 PHE 573 HE2 PHE 573 62.766 13.080 12.209 1021 HZ PHE 573 HZ PHE 573 63.368 12.938 14.610 1022 H VAL 574 HN VAL 574 68.192 17.402 10.646 1023 HA VAL 574 HA VAL 574 67.394 15.950 8.218 1024 HB VAL 574 HB VAL 574 69.812 16.272 7.613 1025 HG11 VAL 574 HG11 VAL 574 69.299 19.022 7.951 1026 HG12 VAL 574 HG12 VAL 574 67.703 18.272 7.908 1027 HG13 VAL 574 HG13 VAL 574 68.825 18.034 6.589 1028 HG21 VAL 574 HG21 VAL 574 71.164 17.734 9.019 1029 HG22 VAL 574 HG22 VAL 574 70.590 16.390 10.006 1030 HG23 VAL 574 HG23 VAL 574 69.816 17.979 10.134 1031 H CYS 575 HN CYS 575 69.172 14.258 7.507 1032 HA CYS 575 HA CYS 575 69.233 12.084 9.476 1033 HB2 CYS 575 HB2 CYS 575 69.166 10.953 7.502 1034 HB3 CYS 575 HB1 CYS 575 69.591 12.408 6.612 1035 H ALA 576 HN ALA 576 71.198 11.236 10.507 1036 HA ALA 576 HA ALA 576 73.339 13.338 10.542 1037 HB1 ALA 576 HB1 ALA 576 72.646 10.973 12.295 1038 HB2 ALA 576 HB2 ALA 576 72.779 12.676 12.732 1039 HB3 ALA 576 HB3 ALA 576 74.235 11.737 12.400 1040 H PHE 577 HN PHE 577 73.820 12.674 8.313 1041 HA PHE 577 HA PHE 577 76.260 11.120 8.259 1042 HB2 PHE 577 HB2 PHE 577 74.309 9.476 7.498 1043 HB3 PHE 577 HB1 PHE 577 74.334 10.422 6.020 1044 HD1 PHE 577 HD1 PHE 577 75.052 7.431 6.229 1045 HD2 PHE 577 HD2 PHE 577 77.544 10.956 6.391 1046 HE1 PHE 577 HE1 PHE 577 76.996 6.131 5.447 1047 HE2 PHE 577 HE2 PHE 577 79.449 9.626 5.614 1048 HZ PHE 577 HZ PHE 577 79.188 7.221 5.143 1049 H CYS 578 HN CYS 578 73.774 12.267 6.125 1050 HA CYS 578 HA CYS 578 75.518 14.401 4.978 1051 HB2 CYS 578 HB2 CYS 578 73.972 14.293 3.036 1052 HB3 CYS 578 HB1 CYS 578 74.722 12.729 3.317 1053 H LEU 579 HN LEU 579 74.953 15.625 6.849 1054 HA LEU 579 HA LEU 579 72.474 16.117 7.944 1055 HB2 LEU 579 HB2 LEU 579 73.741 18.554 8.295 1056 HB3 LEU 579 HB1 LEU 579 73.970 17.148 9.309 1057 HG LEU 579 HG LEU 579 76.068 18.322 8.409 1058 HD11 LEU 579 HD11 LEU 579 76.420 15.512 7.539 1059 HD12 LEU 579 HD12 LEU 579 75.701 15.704 9.134 1060 HD13 LEU 579 HD13 LEU 579 77.256 16.435 8.772 1061 HD21 LEU 579 HD21 LEU 579 74.864 18.094 5.943 1062 HD22 LEU 579 HD22 LEU 579 76.016 16.761 5.903 1063 HD23 LEU 579 HD23 LEU 579 76.574 18.400 6.215 1064 H LYS 580 HN LYS 580 72.616 16.545 4.727 1065 HA LYS 580 HA LYS 580 71.602 19.330 4.710 1066 HB2 LYS 580 HB2 LYS 580 71.943 19.336 2.438 1067 HB3 LYS 580 HB1 LYS 580 73.060 18.060 2.886 1068 HG2 LYS 580 HG2 LYS 580 70.215 17.548 1.921 1069 HG3 LYS 580 HG1 LYS 580 71.634 17.529 0.890 1070 HD2 LYS 580 HD2 LYS 580 72.519 15.619 1.875 1071 HD3 LYS 580 HD1 LYS 580 71.617 15.839 3.372 1072 HE2 LYS 580 HE2 LYS 580 70.843 13.988 1.705 1073 HE3 LYS 580 HE1 LYS 580 69.632 15.032 2.447 1074 HZ1 LYS 580 HZ1 LYS 580 69.175 16.032 0.509 1075 HZ2 LYS 580 HZ2 LYS 580 69.855 14.638 -0.184 1076 HZ3 LYS 580 HZ3 LYS 580 70.792 16.043 -0.002 1077 H GLN 581 HN GLN 581 70.060 16.060 4.272 1078 HA GLN 581 HA GLN 581 67.563 17.392 4.955 1079 HB2 GLN 581 HB2 GLN 581 67.839 17.897 2.541 1080 HB3 GLN 581 HB1 GLN 581 67.622 16.180 2.214 1081 HG2 GLN 581 HG2 GLN 581 65.453 17.142 2.010 1082 HG3 GLN 581 HG1 GLN 581 65.450 16.376 3.585 1083 HE21 GLN 581 HE21 GLN 581 65.899 17.849 5.485 1084 HE22 GLN 581 HE22 GLN 581 65.427 19.468 5.362 1085 H LEU 582 HN LEU 582 66.021 16.193 5.743 1086 HA LEU 582 HA LEU 582 65.992 13.265 5.322 1087 HB2 LEU 582 HB2 LEU 582 67.183 13.925 7.470 1088 HB3 LEU 582 HB1 LEU 582 65.632 14.506 8.050 1089 HG LEU 582 HG LEU 582 64.697 12.236 7.728 1090 HD11 LEU 582 HD11 LEU 582 65.805 11.002 6.158 1091 HD12 LEU 582 HD12 LEU 582 66.805 10.497 7.516 1092 HD13 LEU 582 HD13 LEU 582 67.347 11.800 6.454 1093 HD21 LEU 582 HD21 LEU 582 66.320 11.138 9.500 1094 HD22 LEU 582 HD22 LEU 582 65.374 12.563 9.926 1095 HD23 LEU 582 HD23 LEU 582 67.070 12.733 9.503 1096 H ASN 583 HN ASN 583 63.814 12.395 6.188 1097 HA ASN 583 HA ASN 583 61.659 14.424 6.337 1098 HB2 ASN 583 HB2 ASN 583 62.069 12.524 4.029 1099 HB3 ASN 583 HB1 ASN 583 60.431 12.964 4.499 1100 HD21 ASN 583 HD21 ASN 583 61.224 13.752 2.002 1101 HD22 ASN 583 HD22 ASN 583 61.517 15.418 1.964 1102 H LYS 584 HN LYS 584 60.068 13.720 7.669 1103 HA LYS 584 HA LYS 584 60.293 11.460 9.304 1104 HB2 LYS 584 HB2 LYS 584 57.776 11.764 9.593 1105 HB3 LYS 584 HB1 LYS 584 58.760 13.201 9.892 1106 HG2 LYS 584 HG2 LYS 584 58.076 14.262 7.935 1107 HG3 LYS 584 HG1 LYS 584 57.773 12.745 7.081 1108 HD2 LYS 584 HD2 LYS 584 55.687 14.004 7.664 1109 HD3 LYS 584 HD1 LYS 584 55.749 12.376 8.333 1110 HE2 LYS 584 HE2 LYS 584 56.136 13.144 10.515 1111 HE3 LYS 584 HE1 LYS 584 56.734 14.709 9.960 1112 HZ1 LYS 584 HZ1 LYS 584 54.331 14.454 10.906 1113 HZ2 LYS 584 HZ2 LYS 584 53.977 13.950 9.322 1114 HZ3 LYS 584 HZ3 LYS 584 54.639 15.489 9.599 1115 H GLY 585 HN GLY 585 59.324 11.670 6.015 1116 HA2 GLY 585 HA2 GLY 585 57.859 9.115 6.038 1117 HA3 GLY 585 HA1 GLY 585 58.138 10.149 4.638 1118 H THR 586 HN THR 586 61.021 10.296 5.576 1119 HA THR 586 HA THR 586 61.937 7.570 4.757 1120 HB THR 586 HB THR 586 63.287 8.396 3.044 1121 HG1 THR 586 HG1 THR 586 63.878 10.626 2.983 1122 HG21 THR 586 HG21 THR 586 61.934 9.868 1.681 1123 HG22 THR 586 HG22 THR 586 61.084 10.478 3.104 1124 HG23 THR 586 HG23 THR 586 60.844 8.811 2.580 1125 H PHE 587 HN PHE 587 61.799 9.143 7.328 1126 HA PHE 587 HA PHE 587 64.679 9.580 7.895 1127 HB2 PHE 587 HB2 PHE 587 64.061 10.650 9.868 1128 HB3 PHE 587 HB1 PHE 587 62.755 11.072 8.784 1129 HD1 PHE 587 HD1 PHE 587 63.265 10.355 12.043 1130 HD2 PHE 587 HD2 PHE 587 60.954 8.822 8.761 1131 HE1 PHE 587 HE1 PHE 587 61.639 9.380 13.637 1132 HE2 PHE 587 HE2 PHE 587 59.332 7.850 10.356 1133 HZ PHE 587 HZ PHE 587 59.673 8.128 12.796 1134 H LYS 588 HN LYS 588 65.817 7.828 8.253 1135 HA LYS 588 HA LYS 588 64.662 5.541 9.775 1136 HB2 LYS 588 HB2 LYS 588 66.193 5.703 7.403 1137 HB3 LYS 588 HB1 LYS 588 67.318 5.167 8.608 1138 HG2 LYS 588 HG2 LYS 588 66.163 3.324 7.338 1139 HG3 LYS 588 HG1 LYS 588 66.090 3.198 9.080 1140 HD2 LYS 588 HD2 LYS 588 63.957 2.703 7.645 1141 HD3 LYS 588 HD1 LYS 588 63.792 3.586 9.141 1142 HE2 LYS 588 HE2 LYS 588 63.261 5.567 8.047 1143 HE3 LYS 588 HE1 LYS 588 64.225 5.169 6.643 1144 HZ1 LYS 588 HZ1 LYS 588 62.270 4.691 5.726 1145 HZ2 LYS 588 HZ2 LYS 588 61.480 4.546 7.222 1146 HZ3 LYS 588 HZ3 LYS 588 62.374 3.242 6.600 1147 H GLU 589 HN GLU 589 66.075 4.604 11.450 1148 HA GLU 589 HA GLU 589 68.228 6.345 12.461 1149 HB2 GLU 589 HB2 GLU 589 66.520 7.546 13.504 1150 HB3 GLU 589 HB1 GLU 589 65.528 6.120 13.772 1151 HG2 GLU 589 HG2 GLU 589 66.934 5.383 15.568 1152 HG3 GLU 589 HG1 GLU 589 68.188 6.559 15.164 1153 H GLN 590 HN GLN 590 69.362 5.467 14.181 1154 HA GLN 590 HA GLN 590 68.816 2.805 15.192 1155 HB2 GLN 590 HB2 GLN 590 70.848 1.765 14.349 1156 HB3 GLN 590 HB1 GLN 590 69.909 2.351 12.985 1157 HG2 GLN 590 HG2 GLN 590 71.292 4.476 13.110 1158 HG3 GLN 590 HG1 GLN 590 72.339 3.604 14.209 1159 HE21 GLN 590 HE21 GLN 590 71.229 1.203 12.295 1160 HE22 GLN 590 HE22 GLN 590 72.391 1.220 11.057 1161 H ASN 591 HN ASN 591 70.023 2.502 17.085 1162 HA ASN 591 HA ASN 591 70.965 3.305 19.060 1163 HB2 ASN 591 HB2 ASN 591 73.222 4.754 18.030 1164 HB3 ASN 591 HB1 ASN 591 73.197 3.138 18.703 1165 HD21 ASN 591 HD21 ASN 591 71.692 1.811 16.727 1166 HD22 ASN 591 HD22 ASN 591 72.543 1.830 15.258 1167 H ASP 592 HN ASP 592 69.066 5.088 17.535 1168 HA ASP 592 HA ASP 592 68.025 7.105 18.176 1169 HB2 ASP 592 HB2 ASP 592 70.522 8.035 19.570 1170 HB3 ASP 592 HB1 ASP 592 68.841 8.438 19.913 1171 H LYS 593 HN LYS 593 70.877 6.800 16.405 1172 HA LYS 593 HA LYS 593 71.200 9.628 15.759 1173 HB2 LYS 593 HB2 LYS 593 72.368 7.123 14.573 1174 HB3 LYS 593 HB1 LYS 593 72.886 8.761 14.201 1175 HG2 LYS 593 HG2 LYS 593 73.077 8.842 16.911 1176 HG3 LYS 593 HG1 LYS 593 73.369 7.125 16.652 1177 HD2 LYS 593 HD2 LYS 593 75.181 7.643 15.079 1178 HD3 LYS 593 HD1 LYS 593 74.870 9.370 15.270 1179 HE2 LYS 593 HE2 LYS 593 75.495 7.622 17.655 1180 HE3 LYS 593 HE1 LYS 593 76.782 8.328 16.678 1181 HZ1 LYS 593 HZ1 LYS 593 76.376 9.871 18.367 1182 HZ2 LYS 593 HZ2 LYS 593 74.688 9.722 18.234 1183 HZ3 LYS 593 HZ3 LYS 593 75.573 10.510 17.016 1184 HA PRO 594 HA PRO 594 67.870 9.219 12.603 1185 HB2 PRO 594 HB2 PRO 594 69.015 11.795 11.666 1186 HB3 PRO 594 HB1 PRO 594 67.347 11.399 12.084 1187 HG2 PRO 594 HG2 PRO 594 68.956 12.938 13.654 1188 HG3 PRO 594 HG1 PRO 594 67.661 11.926 14.311 1189 HD2 PRO 594 HD2 PRO 594 70.610 11.513 14.452 1190 HD3 PRO 594 HD1 PRO 594 69.326 10.892 15.516 1191 H TYR 595 HN TYR 595 67.866 9.044 10.223 1192 HA TYR 595 HA TYR 595 70.309 9.257 8.674 1193 HB2 TYR 595 HB2 TYR 595 69.472 6.568 9.748 1194 HB3 TYR 595 HB1 TYR 595 70.304 6.680 8.207 1195 HD1 TYR 595 HD1 TYR 595 72.452 8.394 8.352 1196 HD2 TYR 595 HD2 TYR 595 70.826 6.054 11.551 1197 HE1 TYR 595 HE1 TYR 595 74.663 8.400 9.490 1198 HE2 TYR 595 HE2 TYR 595 73.030 6.058 12.680 1199 HH TYR 595 HH TYR 595 75.512 8.150 11.850 1200 H CYS 596 HN CYS 596 69.776 9.119 6.453 1201 HA CYS 596 HA CYS 596 66.941 8.830 5.764 1202 HB2 CYS 596 HB2 CYS 596 69.208 8.614 3.768 1203 HB3 CYS 596 HB1 CYS 596 67.584 9.238 3.517 1204 H GLN 597 HN GLN 597 66.149 6.904 4.516 1205 HA GLN 597 HA GLN 597 67.189 4.487 5.590 1206 HB2 GLN 597 HB2 GLN 597 65.012 4.208 4.783 1207 HB3 GLN 597 HB1 GLN 597 65.307 5.183 3.371 1208 HG2 GLN 597 HG2 GLN 597 65.147 3.055 2.433 1209 HG3 GLN 597 HG1 GLN 597 66.876 3.185 2.674 1210 HE21 GLN 597 HE21 GLN 597 66.619 2.888 5.641 1211 HE22 GLN 597 HE22 GLN 597 66.272 1.268 5.909 1212 H ASN 598 HN ASN 598 67.541 5.894 2.343 1213 HA ASN 598 HA ASN 598 69.407 4.168 1.235 1214 HB2 ASN 598 HB2 ASN 598 69.822 7.127 0.916 1215 HB3 ASN 598 HB1 ASN 598 69.851 5.861 -0.305 1216 HD21 ASN 598 HD21 ASN 598 67.485 4.589 -0.036 1217 HD22 ASN 598 HD22 ASN 598 66.186 5.652 -0.256 1218 H CYS 599 HN CYS 599 69.881 6.493 3.807 1219 HA CYS 599 HA CYS 599 72.808 6.259 3.714 1220 HB2 CYS 599 HB2 CYS 599 70.861 7.679 5.542 1221 HB3 CYS 599 HB1 CYS 599 72.577 7.579 5.913 1222 H PHE 600 HN PHE 600 70.257 5.483 6.115 1223 HA PHE 600 HA PHE 600 71.885 3.936 7.849 1224 HB2 PHE 600 HB2 PHE 600 69.802 4.486 8.765 1225 HB3 PHE 600 HB1 PHE 600 68.931 4.081 7.292 1226 HD1 PHE 600 HD1 PHE 600 70.374 2.799 10.414 1227 HD2 PHE 600 HD2 PHE 600 68.415 1.728 6.744 1228 HE1 PHE 600 HE1 PHE 600 69.871 0.549 11.334 1229 HE2 PHE 600 HE2 PHE 600 67.919 -0.519 7.663 1230 HZ PHE 600 HZ PHE 600 68.646 -1.108 9.959 1231 H LEU 601 HN LEU 601 69.690 2.794 5.258 1232 HA LEU 601 HA LEU 601 70.305 0.076 5.435 1233 HB2 LEU 601 HB2 LEU 601 68.929 -0.033 3.621 1234 HB3 LEU 601 HB1 LEU 601 68.839 1.716 3.714 1235 HG LEU 601 HG LEU 601 70.855 1.813 2.179 1236 HD11 LEU 601 HD11 LEU 601 70.750 -1.078 2.589 1237 HD12 LEU 601 HD12 LEU 601 72.001 -0.109 1.820 1238 HD13 LEU 601 HD13 LEU 601 70.640 -0.693 0.873 1239 HD21 LEU 601 HD21 LEU 601 68.449 0.343 1.067 1240 HD22 LEU 601 HD22 LEU 601 69.526 1.424 0.184 1241 HD23 LEU 601 HD23 LEU 601 68.470 2.064 1.439 1242 H LYS 602 HN LYS 602 72.065 2.653 3.806 1243 HA LYS 602 HA LYS 602 73.992 1.124 2.455 1244 HB2 LYS 602 HB2 LYS 602 73.632 3.854 3.062 1245 HB3 LYS 602 HB1 LYS 602 75.216 3.489 3.703 1246 HG2 LYS 602 HG2 LYS 602 74.289 2.974 0.869 1247 HG3 LYS 602 HG1 LYS 602 75.354 4.272 1.383 1248 HD2 LYS 602 HD2 LYS 602 76.833 2.345 2.348 1249 HD3 LYS 602 HD1 LYS 602 75.898 1.314 1.271 1250 HE2 LYS 602 HE2 LYS 602 77.728 1.932 -0.063 1251 HE3 LYS 602 HE1 LYS 602 76.469 3.065 -0.556 1252 HZ1 LYS 602 HZ1 LYS 602 78.769 3.545 1.236 1253 HZ2 LYS 602 HZ2 LYS 602 77.416 4.573 1.227 1254 HZ3 LYS 602 HZ3 LYS 602 78.345 4.373 -0.181 1255 H LEU 603 HN LEU 603 73.751 1.868 5.876 1256 HA LEU 603 HA LEU 603 76.443 0.758 6.405 1257 HB2 LEU 603 HB2 LEU 603 74.753 1.520 8.719 1258 HB3 LEU 603 HB1 LEU 603 76.413 1.969 8.344 1259 HG LEU 603 HG LEU 603 73.936 3.151 7.042 1260 HD11 LEU 603 HD11 LEU 603 74.456 3.694 9.503 1261 HD12 LEU 603 HD12 LEU 603 74.243 5.045 8.392 1262 HD13 LEU 603 HD13 LEU 603 75.862 4.548 8.872 1263 HD21 LEU 603 HD21 LEU 603 76.248 3.025 5.754 1264 HD22 LEU 603 HD22 LEU 603 76.724 4.293 6.874 1265 HD23 LEU 603 HD23 LEU 603 75.354 4.539 5.793 1266 H PHE 604 HN PHE 604 73.159 0.138 7.729 1267 HA PHE 604 HA PHE 604 74.107 -2.478 8.715 1268 HB2 PHE 604 HB2 PHE 604 71.749 -0.708 9.175 1269 HB3 PHE 604 HB1 PHE 604 71.452 -2.438 9.352 1270 HD1 PHE 604 HD1 PHE 604 73.794 0.292 10.439 1271 HD2 PHE 604 HD2 PHE 604 72.088 -3.554 11.327 1272 HE1 PHE 604 HE1 PHE 604 74.872 0.327 12.668 1273 HE2 PHE 604 HE2 PHE 604 73.168 -3.513 13.559 1274 HZ PHE 604 HZ PHE 604 74.560 -1.574 14.228 1275 H CYS 605 HN CYS 605 73.752 -1.901 5.757 1276 HA CYS 605 HA CYS 605 72.616 -4.480 5.093 1277 HB2 CYS 605 HB2 CYS 605 70.959 -2.015 4.718 1278 HB3 CYS 605 HB1 CYS 605 70.892 -3.247 3.462 1279 HG CYS 605 HG CYS 605 70.409 -4.898 5.687 Start of MODEL 16 1 H MET 1 HT1 MET 1 87.169 -25.299 11.800 2 HA MET 1 HA MET 1 86.326 -25.224 9.350 3 HB2 MET 1 HB2 MET 1 87.596 -23.471 10.685 4 HB3 MET 1 HB1 MET 1 89.081 -24.163 10.034 5 HG2 MET 1 HG2 MET 1 88.010 -23.851 7.715 6 HG3 MET 1 HG1 MET 1 86.822 -22.834 8.529 7 HE1 MET 1 HE1 MET 1 87.465 -21.057 10.212 8 HE2 MET 1 HE2 MET 1 87.156 -20.297 8.653 9 HE3 MET 1 HE3 MET 1 88.512 -19.753 9.636 10 H ALA 2 HN ALA 2 89.582 -24.956 8.553 11 HA ALA 2 HA ALA 2 89.809 -27.721 7.482 12 HB1 ALA 2 HB1 ALA 2 88.649 -26.261 5.761 13 HB2 ALA 2 HB2 ALA 2 90.178 -26.957 5.222 14 HB3 ALA 2 HB3 ALA 2 90.107 -25.269 5.731 15 H LEU 3 HN LEU 3 91.283 -24.496 7.262 16 HA LEU 3 HA LEU 3 93.958 -25.205 6.943 17 HB2 LEU 3 HB2 LEU 3 92.678 -22.986 8.541 18 HB3 LEU 3 HB1 LEU 3 94.422 -23.080 8.285 19 HG LEU 3 HG LEU 3 92.375 -23.053 6.051 20 HD11 LEU 3 HD11 LEU 3 93.309 -20.685 5.726 21 HD12 LEU 3 HD12 LEU 3 93.967 -20.839 7.356 22 HD13 LEU 3 HD13 LEU 3 92.224 -20.920 7.097 23 HD21 LEU 3 HD21 LEU 3 94.266 -23.942 5.048 24 HD22 LEU 3 HD22 LEU 3 95.374 -23.172 6.182 25 HD23 LEU 3 HD23 LEU 3 94.646 -22.232 4.881 26 H ASP 4 HN ASP 4 93.142 -23.889 10.042 27 HA ASP 4 HA ASP 4 93.960 -24.442 12.175 28 HB2 ASP 4 HB2 ASP 4 91.978 -25.890 11.967 29 HB3 ASP 4 HB1 ASP 4 92.974 -27.114 11.181 30 H GLY 5 HN GLY 5 95.796 -24.743 9.842 31 HA2 GLY 5 HA2 GLY 5 97.476 -27.045 10.203 32 HA3 GLY 5 HA1 GLY 5 97.954 -25.535 9.419 33 H ILE 6 HN ILE 6 96.911 -24.261 11.985 34 HA ILE 6 HA ILE 6 99.448 -24.551 13.543 35 HB ILE 6 HB ILE 6 98.318 -22.148 14.341 36 HG12 ILE 6 HG12 ILE 6 96.584 -22.553 12.490 37 HG13 ILE 6 HG11 ILE 6 97.395 -20.991 12.504 38 HG21 ILE 6 HG21 ILE 6 100.308 -22.762 12.178 39 HG22 ILE 6 HG22 ILE 6 100.615 -22.258 13.840 40 HG23 ILE 6 HG23 ILE 6 99.942 -21.112 12.682 41 HD11 ILE 6 HD11 ILE 6 97.178 -22.644 10.311 42 HD12 ILE 6 HD12 ILE 6 98.801 -23.025 10.880 43 HD13 ILE 6 HD13 ILE 6 98.371 -21.362 10.489 44 H ARG 7 HN ARG 7 96.865 -22.786 15.034 45 HA ARG 7 HA ARG 7 95.761 -25.124 16.392 46 HB2 ARG 7 HB2 ARG 7 96.409 -24.149 18.654 47 HB3 ARG 7 HB1 ARG 7 97.686 -24.927 17.735 48 HG2 ARG 7 HG2 ARG 7 97.374 -22.002 17.238 49 HG3 ARG 7 HG1 ARG 7 97.936 -22.446 18.846 50 HD2 ARG 7 HD2 ARG 7 99.735 -23.819 17.802 51 HD3 ARG 7 HD1 ARG 7 99.194 -23.258 16.224 52 HE ARG 7 HE ARG 7 100.253 -21.195 16.655 53 HH11 ARG 7 HH11 ARG 7 101.434 -19.775 17.959 54 HH12 ARG 7 HH12 ARG 7 101.612 -20.115 19.647 55 HH21 ARG 7 HH21 ARG 7 99.765 -23.047 19.521 56 HH22 ARG 7 HH22 ARG 7 100.667 -21.968 20.532 57 H MET 8 HN MET 8 95.852 -22.098 18.115 58 HA MET 8 HA MET 8 93.280 -21.245 16.915 59 HB2 MET 8 HB2 MET 8 92.881 -21.049 19.747 60 HB3 MET 8 HB1 MET 8 92.004 -22.036 18.598 61 HG2 MET 8 HG2 MET 8 93.560 -23.862 18.830 62 HG3 MET 8 HG1 MET 8 94.638 -22.916 19.836 63 HE1 MET 8 HE1 MET 8 93.592 -25.778 20.740 64 HE2 MET 8 HE2 MET 8 93.392 -25.386 22.446 65 HE3 MET 8 HE3 MET 8 94.737 -24.693 21.543 66 HA PRO 9 HA PRO 9 94.957 -17.556 19.806 67 HB2 PRO 9 HB2 PRO 9 97.766 -18.654 19.732 68 HB3 PRO 9 HB1 PRO 9 97.031 -17.548 20.915 69 HG2 PRO 9 HG2 PRO 9 97.305 -20.098 21.497 70 HG3 PRO 9 HG1 PRO 9 95.811 -19.235 21.911 71 HD2 PRO 9 HD2 PRO 9 96.257 -21.248 19.754 72 HD3 PRO 9 HD1 PRO 9 94.810 -20.892 20.688 73 H ASP 10 HN ASP 10 96.672 -19.404 17.443 74 HA ASP 10 HA ASP 10 97.083 -16.977 15.718 75 HB2 ASP 10 HB2 ASP 10 99.154 -18.276 16.576 76 HB3 ASP 10 HB1 ASP 10 98.641 -19.558 15.481 77 H GLY 11 HN GLY 11 95.858 -20.198 16.037 78 HA2 GLY 11 HA2 GLY 11 95.256 -20.521 13.192 79 HA3 GLY 11 HA1 GLY 11 94.755 -21.598 14.490 80 H CYS 12 HN CYS 12 94.053 -18.475 15.386 81 HA CYS 12 HA CYS 12 91.605 -18.014 13.934 82 HB2 CYS 12 HB2 CYS 12 90.727 -19.905 15.104 83 HB3 CYS 12 HB1 CYS 12 91.463 -19.386 16.620 84 HG CYS 12 HG CYS 12 89.769 -17.283 16.520 85 H TYR 13 HN TYR 13 93.135 -17.625 17.126 86 HA TYR 13 HA TYR 13 93.782 -15.649 18.221 87 HB2 TYR 13 HB2 TYR 13 93.671 -14.685 15.712 88 HB3 TYR 13 HB1 TYR 13 92.225 -13.893 16.331 89 HD1 TYR 13 HD1 TYR 13 92.477 -12.669 18.638 90 HD2 TYR 13 HD2 TYR 13 95.775 -13.694 16.081 91 HE1 TYR 13 HE1 TYR 13 93.879 -10.960 19.761 92 HE2 TYR 13 HE2 TYR 13 97.176 -11.983 17.206 93 HH TYR 13 HH TYR 13 97.137 -10.858 19.597 94 H ALA 14 HN ALA 14 90.548 -15.909 16.861 95 HA ALA 14 HA ALA 14 89.082 -16.268 19.152 96 HB1 ALA 14 HB1 ALA 14 89.931 -13.420 18.841 97 HB2 ALA 14 HB2 ALA 14 89.617 -14.333 20.316 98 HB3 ALA 14 HB3 ALA 14 88.270 -13.702 19.369 99 H ASP 15 HN ASP 15 89.230 -14.272 16.249 100 HA ASP 15 HA ASP 15 86.862 -15.605 15.202 101 HB2 ASP 15 HB2 ASP 15 86.002 -13.770 16.749 102 HB3 ASP 15 HB1 ASP 15 86.690 -12.619 15.604 103 H GLY 16 HN GLY 16 89.790 -14.211 14.735 104 HA2 GLY 16 HA2 GLY 16 90.964 -13.898 12.702 105 HA3 GLY 16 HA1 GLY 16 89.448 -14.150 11.831 106 H THR 17 HN THR 17 90.028 -11.851 14.442 107 HA THR 17 HA THR 17 88.874 -9.701 12.854 108 HB THR 17 HB THR 17 89.624 -8.363 14.985 109 HG1 THR 17 HG1 THR 17 90.790 -10.653 15.414 110 HG21 THR 17 HG21 THR 17 87.324 -8.821 14.715 111 HG22 THR 17 HG22 THR 17 87.724 -9.491 16.297 112 HG23 THR 17 HG23 THR 17 87.562 -10.560 14.903 113 H TRP 18 HN TRP 18 89.968 -8.461 11.531 114 HA TRP 18 HA TRP 18 92.835 -7.829 12.052 115 HB2 TRP 18 HB2 TRP 18 92.732 -7.793 9.317 116 HB3 TRP 18 HB1 TRP 18 93.285 -9.178 10.247 117 HD1 TRP 18 HD1 TRP 18 89.963 -7.818 8.795 118 HE1 TRP 18 HE1 TRP 18 88.527 -9.839 8.077 119 HE3 TRP 18 HE3 TRP 18 92.984 -11.638 10.333 120 HZ2 TRP 18 HZ2 TRP 18 88.648 -12.697 8.147 121 HZ3 TRP 18 HZ3 TRP 18 92.301 -13.996 9.996 122 HH2 TRP 18 HH2 TRP 18 90.139 -14.530 8.906 123 H GLU 19 HN GLU 19 93.010 -5.652 12.202 124 HA GLU 19 HA GLU 19 90.767 -3.974 11.438 125 HB2 GLU 19 HB2 GLU 19 92.873 -2.207 11.978 126 HB3 GLU 19 HB1 GLU 19 91.676 -2.764 13.141 127 HG2 GLU 19 HG2 GLU 19 94.001 -3.103 13.927 128 HG3 GLU 19 HG1 GLU 19 93.099 -4.610 13.787 129 H LEU 20 HN LEU 20 90.504 -2.769 9.641 130 HA LEU 20 HA LEU 20 92.397 -3.224 7.447 131 HB2 LEU 20 HB2 LEU 20 89.624 -2.742 7.613 132 HB3 LEU 20 HB1 LEU 20 90.256 -1.254 6.923 133 HG LEU 20 HG LEU 20 89.755 -2.665 5.081 134 HD11 LEU 20 HD11 LEU 20 92.237 -1.647 5.361 135 HD12 LEU 20 HD12 LEU 20 91.723 -2.548 3.937 136 HD13 LEU 20 HD13 LEU 20 92.652 -3.356 5.191 137 HD21 LEU 20 HD21 LEU 20 90.521 -4.796 6.935 138 HD22 LEU 20 HD22 LEU 20 91.283 -5.026 5.369 139 HD23 LEU 20 HD23 LEU 20 89.534 -4.881 5.480 140 H SER 21 HN SER 21 93.951 -1.738 6.855 141 HA SER 21 HA SER 21 94.306 0.611 8.563 142 HB2 SER 21 HB2 SER 21 96.081 -0.935 7.258 143 HB3 SER 21 HB1 SER 21 95.852 0.306 6.028 144 HG SER 21 HG SER 21 96.087 1.356 8.525 145 H VAL 22 HN VAL 22 94.059 2.742 7.953 146 HA VAL 22 HA VAL 22 92.907 3.270 5.275 147 HB VAL 22 HB VAL 22 91.601 3.852 7.929 148 HG11 VAL 22 HG11 VAL 22 91.212 5.316 5.302 149 HG12 VAL 22 HG12 VAL 22 91.612 6.022 6.873 150 HG13 VAL 22 HG13 VAL 22 90.031 5.317 6.604 151 HG21 VAL 22 HG21 VAL 22 91.084 1.814 6.488 152 HG22 VAL 22 HG22 VAL 22 90.441 2.945 5.291 153 HG23 VAL 22 HG23 VAL 22 89.702 2.834 6.891 154 H HIS 23 HN HIS 23 93.754 5.025 4.379 155 HA HIS 23 HA HIS 23 95.406 6.870 6.068 156 HB2 HIS 23 HB2 HIS 23 95.433 6.033 3.162 157 HB3 HIS 23 HB1 HIS 23 96.229 7.519 3.678 158 HD1 HIS 23 HD1 HIS 23 96.291 3.782 4.380 159 HD2 HIS 23 HD2 HIS 23 98.730 7.130 4.854 160 HE1 HIS 23 HE1 HIS 23 98.530 2.927 5.199 161 H VAL 24 HN VAL 24 93.955 8.495 6.699 162 HA VAL 24 HA VAL 24 91.849 9.337 4.878 163 HB VAL 24 HB VAL 24 92.856 10.904 7.247 164 HG11 VAL 24 HG11 VAL 24 90.399 11.406 7.427 165 HG12 VAL 24 HG12 VAL 24 90.147 10.459 5.964 166 HG13 VAL 24 HG13 VAL 24 91.090 11.933 5.891 167 HG21 VAL 24 HG21 VAL 24 92.700 8.695 8.116 168 HG22 VAL 24 HG22 VAL 24 91.231 8.358 7.205 169 HG23 VAL 24 HG23 VAL 24 91.188 9.484 8.561 170 H THR 25 HN THR 25 92.291 10.524 3.099 171 HA THR 25 HA THR 25 94.802 12.004 2.892 172 HB THR 25 HB THR 25 94.371 12.080 0.626 173 HG1 THR 25 HG1 THR 25 92.332 12.484 -0.203 174 HG21 THR 25 HG21 THR 25 93.907 9.710 1.555 175 HG22 THR 25 HG22 THR 25 93.352 10.063 -0.081 176 HG23 THR 25 HG23 THR 25 92.207 10.073 1.260 177 H ASP 26 HN ASP 26 91.344 12.885 3.088 178 HA ASP 26 HA ASP 26 91.777 15.707 2.833 179 HB2 ASP 26 HB2 ASP 26 89.532 15.828 4.100 180 HB3 ASP 26 HB1 ASP 26 89.540 14.976 2.557 181 H LEU 27 HN LEU 27 92.622 13.549 5.296 182 HA LEU 27 HA LEU 27 92.950 15.792 7.272 183 HB2 LEU 27 HB2 LEU 27 92.109 12.962 7.615 184 HB3 LEU 27 HB1 LEU 27 93.045 13.657 8.878 185 HG LEU 27 HG LEU 27 90.745 13.897 9.439 186 HD11 LEU 27 HD11 LEU 27 90.748 16.077 10.079 187 HD12 LEU 27 HD12 LEU 27 91.204 16.671 8.485 188 HD13 LEU 27 HD13 LEU 27 92.425 15.963 9.547 189 HD21 LEU 27 HD21 LEU 27 90.251 15.427 6.903 190 HD22 LEU 27 HD22 LEU 27 89.067 14.762 8.027 191 HD23 LEU 27 HD23 LEU 27 90.015 13.684 7.002 192 H ASN 28 HN ASN 28 94.328 13.123 5.563 193 HA ASN 28 HA ASN 28 96.564 12.500 5.239 194 HB2 ASN 28 HB2 ASN 28 97.003 15.039 5.551 195 HB3 ASN 28 HB1 ASN 28 97.449 14.629 7.202 196 HD21 ASN 28 HD21 ASN 28 98.350 11.905 6.115 197 HD22 ASN 28 HD22 ASN 28 99.893 12.210 5.490 198 H ARG 29 HN ARG 29 94.681 11.997 7.714 199 HA ARG 29 HA ARG 29 96.652 11.106 9.693 200 HB2 ARG 29 HB2 ARG 29 93.644 10.920 9.533 201 HB3 ARG 29 HB1 ARG 29 94.588 10.290 10.880 202 HG2 ARG 29 HG2 ARG 29 95.320 12.425 11.531 203 HG3 ARG 29 HG1 ARG 29 94.885 13.161 10.005 204 HD2 ARG 29 HD2 ARG 29 93.094 13.864 11.326 205 HD3 ARG 29 HD1 ARG 29 92.427 12.350 10.708 206 HE ARG 29 HE ARG 29 93.918 12.085 13.226 207 HH11 ARG 29 HH11 ARG 29 92.672 11.432 14.996 208 HH12 ARG 29 HH12 ARG 29 90.944 11.465 14.881 209 HH21 ARG 29 HH21 ARG 29 90.914 12.659 11.628 210 HH22 ARG 29 HH22 ARG 29 89.951 12.159 12.978 211 H ASP 30 HN ASP 30 95.863 8.836 10.594 212 HA ASP 30 HA ASP 30 95.404 6.926 8.392 213 HB2 ASP 30 HB2 ASP 30 97.743 6.904 10.302 214 HB3 ASP 30 HB1 ASP 30 97.166 5.429 9.523 215 H VAL 31 HN VAL 31 93.671 5.768 9.015 216 HA VAL 31 HA VAL 31 93.271 5.284 11.959 217 HB VAL 31 HB VAL 31 91.127 5.415 9.823 218 HG11 VAL 31 HG11 VAL 31 91.119 5.402 12.855 219 HG12 VAL 31 HG12 VAL 31 90.501 4.142 11.789 220 HG13 VAL 31 HG13 VAL 31 89.692 5.708 11.865 221 HG21 VAL 31 HG21 VAL 31 91.901 7.560 11.845 222 HG22 VAL 31 HG22 VAL 31 90.652 7.679 10.608 223 HG23 VAL 31 HG23 VAL 31 92.349 7.620 10.142 224 H THR 32 HN THR 32 92.309 3.293 12.546 225 HA THR 32 HA THR 32 92.379 1.125 10.497 226 HB THR 32 HB THR 32 93.217 0.020 13.019 227 HG1 THR 32 HG1 THR 32 95.302 1.471 12.767 228 HG21 THR 32 HG21 THR 32 95.075 -0.783 11.820 229 HG22 THR 32 HG22 THR 32 95.101 0.611 10.742 230 HG23 THR 32 HG23 THR 32 93.840 -0.611 10.575 231 H LEU 33 HN LEU 33 90.564 -0.121 10.619 232 HA LEU 33 HA LEU 33 88.753 0.211 12.983 233 HB2 LEU 33 HB2 LEU 33 88.317 -0.015 10.026 234 HB3 LEU 33 HB1 LEU 33 87.067 -0.611 11.097 235 HG LEU 33 HG LEU 33 86.904 1.837 10.261 236 HD11 LEU 33 HD11 LEU 33 86.754 1.328 13.238 237 HD12 LEU 33 HD12 LEU 33 85.528 0.847 12.070 238 HD13 LEU 33 HD13 LEU 33 85.875 2.554 12.330 239 HD21 LEU 33 HD21 LEU 33 89.334 2.327 10.879 240 HD22 LEU 33 HD22 LEU 33 88.802 2.355 12.561 241 HD23 LEU 33 HD23 LEU 33 88.148 3.503 11.423 242 H ARG 34 HN ARG 34 88.872 -1.546 14.226 243 HA ARG 34 HA ARG 34 89.789 -4.116 13.460 244 HB2 ARG 34 HB2 ARG 34 89.585 -3.216 15.826 245 HB3 ARG 34 HB1 ARG 34 87.854 -3.506 15.699 246 HG2 ARG 34 HG2 ARG 34 88.794 -5.448 16.755 247 HG3 ARG 34 HG1 ARG 34 88.380 -5.903 15.104 248 HD2 ARG 34 HD2 ARG 34 90.593 -6.050 14.439 249 HD3 ARG 34 HD1 ARG 34 91.155 -4.885 15.636 250 HE ARG 34 HE ARG 34 90.136 -7.357 16.812 251 HH11 ARG 34 HH11 ARG 34 91.688 -8.629 17.856 252 HH12 ARG 34 HH12 ARG 34 93.370 -8.310 17.592 253 HH21 ARG 34 HH21 ARG 34 92.799 -5.668 15.418 254 HH22 ARG 34 HH22 ARG 34 93.999 -6.634 16.211 255 H VAL 35 HN VAL 35 88.773 -5.116 11.780 256 HA VAL 35 HA VAL 35 85.834 -5.626 12.041 257 HB VAL 35 HB VAL 35 85.699 -5.416 9.553 258 HG11 VAL 35 HG11 VAL 35 85.912 -2.874 9.564 259 HG12 VAL 35 HG12 VAL 35 86.542 -3.026 11.206 260 HG13 VAL 35 HG13 VAL 35 84.900 -3.558 10.836 261 HG21 VAL 35 HG21 VAL 35 88.023 -5.732 8.960 262 HG22 VAL 35 HG22 VAL 35 88.505 -4.335 9.918 263 HG23 VAL 35 HG23 VAL 35 87.548 -4.110 8.456 264 H THR 36 HN THR 36 85.448 -7.188 9.902 265 HA THR 36 HA THR 36 87.529 -9.310 9.883 266 HB THR 36 HB THR 36 85.560 -10.975 10.140 267 HG1 THR 36 HG1 THR 36 84.406 -8.535 10.673 268 HG21 THR 36 HG21 THR 36 86.648 -9.297 12.386 269 HG22 THR 36 HG22 THR 36 87.169 -10.901 11.864 270 HG23 THR 36 HG23 THR 36 85.619 -10.697 12.677 271 H GLY 37 HN GLY 37 86.805 -10.974 8.119 272 HA2 GLY 37 HA2 GLY 37 86.093 -9.427 5.768 273 HA3 GLY 37 HA1 GLY 37 86.484 -11.139 5.779 274 H GLU 38 HN GLU 38 84.034 -9.278 7.531 275 HA GLU 38 HA GLU 38 81.878 -10.669 6.062 276 HB2 GLU 38 HB2 GLU 38 80.883 -11.626 7.962 277 HB3 GLU 38 HB1 GLU 38 82.590 -11.985 8.165 278 HG2 GLU 38 HG2 GLU 38 82.169 -11.138 10.283 279 HG3 GLU 38 HG1 GLU 38 82.529 -9.622 9.460 280 H VAL 39 HN VAL 39 83.177 -7.873 7.271 281 HA VAL 39 HA VAL 39 80.619 -6.637 8.046 282 HB VAL 39 HB VAL 39 81.862 -4.825 8.828 283 HG11 VAL 39 HG11 VAL 39 82.397 -7.082 9.891 284 HG12 VAL 39 HG12 VAL 39 83.523 -5.766 10.212 285 HG13 VAL 39 HG13 VAL 39 83.924 -6.999 9.016 286 HG21 VAL 39 HG21 VAL 39 84.243 -4.392 8.130 287 HG22 VAL 39 HG22 VAL 39 83.082 -4.181 6.831 288 HG23 VAL 39 HG23 VAL 39 84.060 -5.651 6.914 289 H HIS 40 HN HIS 40 79.599 -5.010 6.794 290 HA HIS 40 HA HIS 40 80.217 -5.126 3.917 291 HB2 HIS 40 HB2 HIS 40 78.342 -3.150 4.085 292 HB3 HIS 40 HB1 HIS 40 77.922 -4.860 4.066 293 HD1 HIS 40 HD1 HIS 40 79.485 -3.178 7.058 294 HD2 HIS 40 HD2 HIS 40 75.768 -4.641 5.870 295 HE1 HIS 40 HE1 HIS 40 78.020 -3.171 9.123 296 H ILE 41 HN ILE 41 81.467 -3.558 2.839 297 HA ILE 41 HA ILE 41 83.155 -1.888 4.341 298 HB ILE 41 HB ILE 41 83.563 -2.560 1.982 299 HG12 ILE 41 HG12 ILE 41 84.525 -0.384 3.172 300 HG13 ILE 41 HG11 ILE 41 84.865 -0.720 1.490 301 HG21 ILE 41 HG21 ILE 41 81.494 -2.305 0.902 302 HG22 ILE 41 HG22 ILE 41 82.527 -1.050 0.206 303 HG23 ILE 41 HG23 ILE 41 81.318 -0.628 1.432 304 HD11 ILE 41 HD11 ILE 41 82.435 0.911 2.210 305 HD12 ILE 41 HD12 ILE 41 83.303 0.853 0.695 306 HD13 ILE 41 HD13 ILE 41 84.013 1.668 2.086 307 H GLY 42 HN GLY 42 79.932 -1.247 3.009 308 HA2 GLY 42 HA2 GLY 42 79.809 1.536 3.538 309 HA3 GLY 42 HA1 GLY 42 78.418 0.454 3.545 310 H GLY 43 HN GLY 43 79.885 -1.245 5.533 311 HA2 GLY 43 HA2 GLY 43 78.761 -0.063 7.923 312 HA3 GLY 43 HA1 GLY 43 79.718 -1.549 7.847 313 H VAL 44 HN VAL 44 81.822 -0.001 6.282 314 HA VAL 44 HA VAL 44 83.277 0.936 8.683 315 HB VAL 44 HB VAL 44 83.986 0.260 5.848 316 HG11 VAL 44 HG11 VAL 44 86.252 1.376 6.194 317 HG12 VAL 44 HG12 VAL 44 85.510 2.286 7.509 318 HG13 VAL 44 HG13 VAL 44 84.917 2.477 5.860 319 HG21 VAL 44 HG21 VAL 44 84.308 -1.214 7.891 320 HG22 VAL 44 HG22 VAL 44 85.557 -0.074 8.410 321 HG23 VAL 44 HG23 VAL 44 85.749 -0.968 6.900 322 H MET 45 HN MET 45 81.715 2.267 5.819 323 HA MET 45 HA MET 45 82.641 4.932 5.898 324 HB2 MET 45 HB2 MET 45 79.927 3.736 5.285 325 HB3 MET 45 HB1 MET 45 80.190 5.470 5.185 326 HG2 MET 45 HG2 MET 45 82.252 4.725 3.656 327 HG3 MET 45 HG1 MET 45 81.260 3.285 3.414 328 HE1 MET 45 HE1 MET 45 77.899 4.638 2.176 329 HE2 MET 45 HE2 MET 45 78.689 3.596 3.365 330 HE3 MET 45 HE3 MET 45 79.020 3.364 1.654 331 H LEU 46 HN LEU 46 80.204 3.269 7.840 332 HA LEU 46 HA LEU 46 79.461 5.659 9.318 333 HB2 LEU 46 HB2 LEU 46 78.304 3.183 8.898 334 HB3 LEU 46 HB1 LEU 46 78.823 3.048 10.575 335 HG LEU 46 HG LEU 46 77.162 5.335 9.459 336 HD11 LEU 46 HD11 LEU 46 75.243 4.313 10.222 337 HD12 LEU 46 HD12 LEU 46 76.086 3.394 11.473 338 HD13 LEU 46 HD13 LEU 46 76.162 2.869 9.793 339 HD21 LEU 46 HD21 LEU 46 78.285 4.677 12.182 340 HD22 LEU 46 HD22 LEU 46 76.833 5.664 12.027 341 HD23 LEU 46 HD23 LEU 46 78.345 6.203 11.299 342 H LYS 47 HN LYS 47 81.106 2.652 10.456 343 HA LYS 47 HA LYS 47 81.762 3.485 13.022 344 HB2 LYS 47 HB2 LYS 47 83.669 2.003 11.186 345 HB3 LYS 47 HB1 LYS 47 83.687 1.992 12.949 346 HG2 LYS 47 HG2 LYS 47 81.633 0.802 13.070 347 HG3 LYS 47 HG1 LYS 47 81.279 1.108 11.372 348 HD2 LYS 47 HD2 LYS 47 83.072 -0.345 10.657 349 HD3 LYS 47 HD1 LYS 47 83.649 -0.519 12.314 350 HE2 LYS 47 HE2 LYS 47 80.889 -1.382 11.421 351 HE3 LYS 47 HE1 LYS 47 82.277 -2.469 11.473 352 HZ1 LYS 47 HZ1 LYS 47 82.018 -0.994 13.892 353 HZ2 LYS 47 HZ2 LYS 47 82.082 -2.675 13.657 354 HZ3 LYS 47 HZ3 LYS 47 80.597 -1.856 13.555 355 H LEU 48 HN LEU 48 83.885 3.979 10.180 356 HA LEU 48 HA LEU 48 85.870 5.477 11.410 357 HB2 LEU 48 HB2 LEU 48 84.852 5.157 8.688 358 HB3 LEU 48 HB1 LEU 48 85.414 6.807 8.923 359 HG LEU 48 HG LEU 48 87.075 4.423 9.730 360 HD11 LEU 48 HD11 LEU 48 88.224 4.465 7.670 361 HD12 LEU 48 HD12 LEU 48 87.378 5.922 7.141 362 HD13 LEU 48 HD13 LEU 48 86.509 4.390 7.261 363 HD21 LEU 48 HD21 LEU 48 87.803 6.498 10.719 364 HD22 LEU 48 HD22 LEU 48 87.654 7.337 9.177 365 HD23 LEU 48 HD23 LEU 48 88.911 6.122 9.404 366 H VAL 49 HN VAL 49 83.016 6.990 9.828 367 HA VAL 49 HA VAL 49 83.473 9.598 10.781 368 HB VAL 49 HB VAL 49 80.878 8.143 10.245 369 HG11 VAL 49 HG11 VAL 49 79.966 10.530 10.045 370 HG12 VAL 49 HG12 VAL 49 81.415 11.049 10.906 371 HG13 VAL 49 HG13 VAL 49 80.269 9.957 11.685 372 HG21 VAL 49 HG21 VAL 49 82.614 8.597 8.396 373 HG22 VAL 49 HG22 VAL 49 82.247 10.310 8.631 374 HG23 VAL 49 HG23 VAL 49 80.979 9.201 8.104 375 H GLU 50 HN GLU 50 81.577 6.998 12.382 376 HA GLU 50 HA GLU 50 80.657 8.347 14.627 377 HB2 GLU 50 HB2 GLU 50 81.867 5.572 14.514 378 HB3 GLU 50 HB1 GLU 50 80.981 6.197 15.896 379 HG2 GLU 50 HG2 GLU 50 79.797 6.189 13.120 380 HG3 GLU 50 HG1 GLU 50 79.649 4.801 14.195 381 H LYS 51 HN LYS 51 83.931 7.057 14.137 382 HA LYS 51 HA LYS 51 84.937 7.753 16.711 383 HB2 LYS 51 HB2 LYS 51 86.311 7.451 14.031 384 HB3 LYS 51 HB1 LYS 51 87.165 7.617 15.566 385 HG2 LYS 51 HG2 LYS 51 86.196 5.610 16.427 386 HG3 LYS 51 HG1 LYS 51 85.064 5.498 15.087 387 HD2 LYS 51 HD2 LYS 51 86.823 5.034 13.523 388 HD3 LYS 51 HD1 LYS 51 88.054 5.342 14.750 389 HE2 LYS 51 HE2 LYS 51 87.740 2.940 14.592 390 HE3 LYS 51 HE1 LYS 51 87.059 3.502 16.114 391 HZ1 LYS 51 HZ1 LYS 51 85.302 3.418 13.788 392 HZ2 LYS 51 HZ2 LYS 51 84.942 3.180 15.431 393 HZ3 LYS 51 HZ3 LYS 51 85.697 1.949 14.537 394 H LEU 52 HN LEU 52 84.892 9.599 13.645 395 HA LEU 52 HA LEU 52 86.335 11.825 14.616 396 HB2 LEU 52 HB2 LEU 52 85.039 11.008 12.231 397 HB3 LEU 52 HB1 LEU 52 84.265 12.515 12.673 398 HG LEU 52 HG LEU 52 86.134 12.996 11.243 399 HD11 LEU 52 HD11 LEU 52 85.697 14.292 13.545 400 HD12 LEU 52 HD12 LEU 52 87.008 14.739 12.456 401 HD13 LEU 52 HD13 LEU 52 87.342 13.742 13.868 402 HD21 LEU 52 HD21 LEU 52 87.336 10.771 12.045 403 HD22 LEU 52 HD22 LEU 52 88.133 11.863 13.176 404 HD23 LEU 52 HD23 LEU 52 88.281 12.129 11.442 405 H ASP 53 HN ASP 53 82.840 11.649 14.038 406 HA ASP 53 HA ASP 53 81.033 12.351 15.318 407 HB2 ASP 53 HB2 ASP 53 82.697 11.551 17.170 408 HB3 ASP 53 HB1 ASP 53 82.864 13.262 17.504 409 H VAL 54 HN VAL 54 80.886 13.986 13.721 410 HA VAL 54 HA VAL 54 80.851 16.644 14.822 411 HB VAL 54 HB VAL 54 83.208 16.615 14.497 412 HG11 VAL 54 HG11 VAL 54 82.570 15.426 11.793 413 HG12 VAL 54 HG12 VAL 54 83.408 14.647 13.138 414 HG13 VAL 54 HG13 VAL 54 84.178 15.978 12.268 415 HG21 VAL 54 HG21 VAL 54 81.949 18.625 13.590 416 HG22 VAL 54 HG22 VAL 54 82.090 17.904 11.988 417 HG23 VAL 54 HG23 VAL 54 83.540 18.374 12.873 418 H LYS 55 HN LYS 55 79.517 17.958 13.602 419 HA LYS 55 HA LYS 55 77.880 16.723 11.592 420 HB2 LYS 55 HB2 LYS 55 77.339 18.690 13.196 421 HB3 LYS 55 HB1 LYS 55 78.103 19.699 11.975 422 HG2 LYS 55 HG2 LYS 55 75.853 19.725 11.329 423 HG3 LYS 55 HG1 LYS 55 76.531 18.494 10.287 424 HD2 LYS 55 HD2 LYS 55 75.533 16.736 11.515 425 HD3 LYS 55 HD1 LYS 55 75.291 17.733 12.931 426 HE2 LYS 55 HE2 LYS 55 73.497 18.921 11.947 427 HE3 LYS 55 HE1 LYS 55 73.895 18.336 10.334 428 HZ1 LYS 55 HZ1 LYS 55 73.442 16.044 11.268 429 HZ2 LYS 55 HZ2 LYS 55 72.091 17.048 11.035 430 HZ3 LYS 55 HZ3 LYS 55 72.730 16.826 12.594 431 H LYS 56 HN LYS 56 80.779 16.740 10.907 432 HA LYS 56 HA LYS 56 81.084 18.732 8.782 433 HB2 LYS 56 HB2 LYS 56 83.089 17.993 9.889 434 HB3 LYS 56 HB1 LYS 56 82.738 16.303 9.541 435 HG2 LYS 56 HG2 LYS 56 83.253 16.528 7.261 436 HG3 LYS 56 HG1 LYS 56 82.983 18.266 7.265 437 HD2 LYS 56 HD2 LYS 56 85.316 18.151 7.153 438 HD3 LYS 56 HD1 LYS 56 85.066 18.329 8.883 439 HE2 LYS 56 HE2 LYS 56 86.708 16.537 8.339 440 HE3 LYS 56 HE1 LYS 56 85.301 15.907 9.193 441 HZ1 LYS 56 HZ1 LYS 56 85.282 15.965 6.257 442 HZ2 LYS 56 HZ2 LYS 56 84.492 14.900 7.320 443 HZ3 LYS 56 HZ3 LYS 56 86.163 14.749 7.047 444 H ASP 57 HN ASP 57 80.777 18.421 6.599 445 HA ASP 57 HA ASP 57 78.854 16.629 5.645 446 HB2 ASP 57 HB2 ASP 57 81.155 18.005 4.251 447 HB3 ASP 57 HB1 ASP 57 79.986 17.026 3.372 448 H TRP 58 HN TRP 58 78.913 14.431 5.599 449 HA TRP 58 HA TRP 58 81.542 13.066 5.174 450 HB2 TRP 58 HB2 TRP 58 79.117 12.317 6.803 451 HB3 TRP 58 HB1 TRP 58 80.390 11.176 6.410 452 HD1 TRP 58 HD1 TRP 58 79.427 13.382 9.065 453 HE1 TRP 58 HE1 TRP 58 81.421 14.107 10.526 454 HE3 TRP 58 HE3 TRP 58 83.322 11.950 6.063 455 HZ2 TRP 58 HZ2 TRP 58 84.266 14.097 10.438 456 HZ3 TRP 58 HZ3 TRP 58 85.656 12.328 6.781 457 HH2 TRP 58 HH2 TRP 58 86.137 13.394 8.962 458 H SER 59 HN SER 59 78.235 13.332 4.147 459 HA SER 59 HA SER 59 77.713 10.930 2.869 460 HB2 SER 59 HB2 SER 59 75.978 12.345 2.418 461 HB3 SER 59 HB1 SER 59 77.018 13.756 2.320 462 HG SER 59 HG SER 59 77.244 13.437 0.236 463 H ASP 60 HN ASP 60 79.502 13.631 1.375 464 HA ASP 60 HA ASP 60 80.229 12.261 -1.000 465 HB2 ASP 60 HB2 ASP 60 80.442 14.697 -0.682 466 HB3 ASP 60 HB1 ASP 60 81.727 14.426 0.497 467 H HIS 61 HN HIS 61 81.091 11.460 2.122 468 HA HIS 61 HA HIS 61 83.857 10.738 1.674 469 HB2 HIS 61 HB2 HIS 61 83.859 9.898 3.857 470 HB3 HIS 61 HB1 HIS 61 82.715 11.217 3.935 471 HD1 HIS 61 HD1 HIS 61 80.660 9.127 2.247 472 HD2 HIS 61 HD2 HIS 61 82.222 8.770 6.087 473 HE1 HIS 61 HE1 HIS 61 79.156 7.528 3.489 474 H ALA 62 HN ALA 62 84.729 8.684 1.408 475 HA ALA 62 HA ALA 62 83.158 6.301 1.159 476 HB1 ALA 62 HB1 ALA 62 82.965 6.017 -1.159 477 HB2 ALA 62 HB2 ALA 62 84.198 7.231 -1.513 478 HB3 ALA 62 HB3 ALA 62 82.599 7.731 -0.965 479 H LEU 63 HN LEU 63 84.568 4.466 0.797 480 HA LEU 63 HA LEU 63 87.431 5.144 1.265 481 HB2 LEU 63 HB2 LEU 63 86.018 2.459 1.334 482 HB3 LEU 63 HB1 LEU 63 87.699 2.733 1.738 483 HG LEU 63 HG LEU 63 86.175 2.527 3.713 484 HD11 LEU 63 HD11 LEU 63 87.270 4.217 4.981 485 HD12 LEU 63 HD12 LEU 63 87.471 5.239 3.567 486 HD13 LEU 63 HD13 LEU 63 88.392 3.748 3.707 487 HD21 LEU 63 HD21 LEU 63 84.588 4.170 4.277 488 HD22 LEU 63 HD22 LEU 63 84.310 3.922 2.558 489 HD23 LEU 63 HD23 LEU 63 85.227 5.326 3.113 490 H TRP 64 HN TRP 64 89.040 4.491 -0.143 491 HA TRP 64 HA TRP 64 88.164 3.233 -2.733 492 HB2 TRP 64 HB2 TRP 64 88.687 5.148 -3.835 493 HB3 TRP 64 HB1 TRP 64 89.029 5.921 -2.311 494 HD1 TRP 64 HD1 TRP 64 91.745 4.963 -1.436 495 HE1 TRP 64 HE1 TRP 64 93.858 5.275 -2.861 496 HE3 TRP 64 HE3 TRP 64 89.619 5.613 -6.029 497 HZ2 TRP 64 HZ2 TRP 64 94.565 5.773 -5.588 498 HZ3 TRP 64 HZ3 TRP 64 91.035 6.025 -8.021 499 HH2 TRP 64 HH2 TRP 64 93.502 6.108 -7.807 500 H TRP 65 HN TRP 65 89.615 1.739 -3.586 501 HA TRP 65 HA TRP 65 91.818 0.935 -1.731 502 HB2 TRP 65 HB2 TRP 65 89.924 -0.671 -2.436 503 HB3 TRP 65 HB1 TRP 65 90.703 -0.704 -4.015 504 HD1 TRP 65 HD1 TRP 65 93.583 -0.365 -1.999 505 HE1 TRP 65 HE1 TRP 65 94.615 -2.621 -1.325 506 HE3 TRP 65 HE3 TRP 65 89.644 -3.468 -2.954 507 HZ2 TRP 65 HZ2 TRP 65 93.883 -5.368 -1.199 508 HZ3 TRP 65 HZ3 TRP 65 89.848 -5.911 -2.546 509 HH2 TRP 65 HH2 TRP 65 91.958 -6.859 -1.668 510 H GLU 66 HN GLU 66 93.442 2.409 -2.525 511 HA GLU 66 HA GLU 66 93.992 2.952 -5.225 512 HB2 GLU 66 HB2 GLU 66 96.355 3.412 -4.464 513 HB3 GLU 66 HB1 GLU 66 95.092 4.260 -3.590 514 HG2 GLU 66 HG2 GLU 66 95.163 2.459 -1.848 515 HG3 GLU 66 HG1 GLU 66 96.531 1.774 -2.711 516 H LYS 67 HN LYS 67 94.670 -0.018 -3.488 517 HA LYS 67 HA LYS 67 96.769 -0.938 -5.228 518 HB2 LYS 67 HB2 LYS 67 94.650 -2.466 -3.730 519 HB3 LYS 67 HB1 LYS 67 95.901 -3.242 -4.665 520 HG2 LYS 67 HG2 LYS 67 96.237 -2.891 -2.094 521 HG3 LYS 67 HG1 LYS 67 97.578 -2.685 -3.180 522 HD2 LYS 67 HD2 LYS 67 97.391 -0.298 -3.083 523 HD3 LYS 67 HD1 LYS 67 95.863 -0.398 -2.217 524 HE2 LYS 67 HE2 LYS 67 96.956 -0.474 -0.231 525 HE3 LYS 67 HE1 LYS 67 97.867 -1.889 -0.753 526 HZ1 LYS 67 HZ1 LYS 67 99.340 -0.318 -1.984 527 HZ2 LYS 67 HZ2 LYS 67 99.408 -0.180 -0.292 528 HZ3 LYS 67 HZ3 LYS 67 98.542 0.961 -1.206 529 H LYS 68 HN LYS 68 93.417 -0.427 -5.418 530 HA LYS 68 HA LYS 68 93.187 -1.731 -8.097 531 HB2 LYS 68 HB2 LYS 68 90.772 -1.137 -6.405 532 HB3 LYS 68 HB1 LYS 68 91.020 -2.425 -7.578 533 HG2 LYS 68 HG2 LYS 68 92.542 -2.375 -4.952 534 HG3 LYS 68 HG1 LYS 68 90.944 -3.077 -5.081 535 HD2 LYS 68 HD2 LYS 68 91.655 -4.700 -6.668 536 HD3 LYS 68 HD1 LYS 68 93.186 -3.869 -6.940 537 HE2 LYS 68 HE2 LYS 68 94.107 -4.639 -4.954 538 HE3 LYS 68 HE1 LYS 68 92.551 -4.786 -4.150 539 HZ1 LYS 68 HZ1 LYS 68 93.993 -6.792 -5.375 540 HZ2 LYS 68 HZ2 LYS 68 92.677 -6.493 -6.407 541 HZ3 LYS 68 HZ3 LYS 68 92.409 -6.890 -4.777 542 H ARG 69 HN ARG 69 93.126 1.204 -6.361 543 HA ARG 69 HA ARG 69 92.435 3.373 -6.928 544 HB2 ARG 69 HB2 ARG 69 92.921 2.137 -9.655 545 HB3 ARG 69 HB1 ARG 69 92.402 3.806 -9.477 546 HG2 ARG 69 HG2 ARG 69 94.720 4.062 -9.546 547 HG3 ARG 69 HG1 ARG 69 94.445 3.978 -7.810 548 HD2 ARG 69 HD2 ARG 69 96.173 2.444 -8.054 549 HD3 ARG 69 HD1 ARG 69 94.779 1.382 -8.196 550 HE ARG 69 HE ARG 69 96.501 2.306 -10.445 551 HH11 ARG 69 HH11 ARG 69 96.371 1.041 -12.294 552 HH12 ARG 69 HH12 ARG 69 95.177 -0.209 -12.400 553 HH21 ARG 69 HH21 ARG 69 93.851 0.399 -9.266 554 HH22 ARG 69 HH22 ARG 69 93.762 -0.570 -10.695 555 H THR 70 HN THR 70 90.427 1.689 -6.158 556 HA THR 70 HA THR 70 88.201 2.190 -8.115 557 HB THR 70 HB THR 70 88.837 -0.185 -7.368 558 HG1 THR 70 HG1 THR 70 86.838 -0.652 -7.817 559 HG21 THR 70 HG21 THR 70 87.258 0.451 -4.898 560 HG22 THR 70 HG22 THR 70 89.012 0.635 -4.910 561 HG23 THR 70 HG23 THR 70 88.289 -0.942 -5.226 562 H TRP 71 HN TRP 71 86.058 2.049 -6.633 563 HA TRP 71 HA TRP 71 86.360 3.891 -4.313 564 HB2 TRP 71 HB2 TRP 71 84.046 4.797 -5.097 565 HB3 TRP 71 HB1 TRP 71 85.495 5.414 -5.868 566 HD1 TRP 71 HD1 TRP 71 84.405 1.931 -6.907 567 HE1 TRP 71 HE1 TRP 71 83.423 2.024 -9.243 568 HE3 TRP 71 HE3 TRP 71 84.164 6.991 -7.569 569 HZ2 TRP 71 HZ2 TRP 71 82.646 3.960 -11.202 570 HZ3 TRP 71 HZ3 TRP 71 83.300 7.929 -9.694 571 HH2 TRP 71 HH2 TRP 71 82.541 6.421 -11.511 572 H LEU 72 HN LEU 72 86.068 2.328 -2.813 573 HA LEU 72 HA LEU 72 84.349 0.109 -3.124 574 HB2 LEU 72 HB2 LEU 72 85.175 1.399 -0.529 575 HB3 LEU 72 HB1 LEU 72 84.660 -0.272 -0.763 576 HG LEU 72 HG LEU 72 87.008 0.897 -2.228 577 HD11 LEU 72 HD11 LEU 72 86.924 -0.385 0.484 578 HD12 LEU 72 HD12 LEU 72 87.617 1.176 0.037 579 HD13 LEU 72 HD13 LEU 72 88.393 -0.317 -0.492 580 HD21 LEU 72 HD21 LEU 72 86.013 -1.895 -1.672 581 HD22 LEU 72 HD22 LEU 72 87.662 -1.579 -2.209 582 HD23 LEU 72 HD23 LEU 72 86.305 -1.133 -3.237 583 H LEU 73 HN LEU 73 82.457 0.717 -3.869 584 HA LEU 73 HA LEU 73 80.558 2.052 -1.989 585 HB2 LEU 73 HB2 LEU 73 79.318 2.855 -4.030 586 HB3 LEU 73 HB1 LEU 73 80.902 3.589 -3.818 587 HG LEU 73 HG LEU 73 81.610 1.474 -5.396 588 HD11 LEU 73 HD11 LEU 73 78.968 2.288 -6.609 589 HD12 LEU 73 HD12 LEU 73 79.051 0.925 -5.503 590 HD13 LEU 73 HD13 LEU 73 79.990 0.904 -6.997 591 HD21 LEU 73 HD21 LEU 73 80.442 4.074 -6.441 592 HD22 LEU 73 HD22 LEU 73 81.593 3.039 -7.282 593 HD23 LEU 73 HD23 LEU 73 82.075 3.882 -5.814 594 H LYS 74 HN LYS 74 81.471 -0.800 -3.162 595 HA LYS 74 HA LYS 74 78.874 -1.876 -3.998 596 HB2 LYS 74 HB2 LYS 74 81.656 -2.971 -3.656 597 HB3 LYS 74 HB1 LYS 74 80.312 -4.101 -3.669 598 HG2 LYS 74 HG2 LYS 74 81.217 -3.831 -5.932 599 HG3 LYS 74 HG1 LYS 74 79.569 -3.222 -5.845 600 HD2 LYS 74 HD2 LYS 74 81.000 -1.665 -7.097 601 HD3 LYS 74 HD1 LYS 74 80.425 -0.924 -5.609 602 HE2 LYS 74 HE2 LYS 74 82.960 -0.711 -6.251 603 HE3 LYS 74 HE1 LYS 74 82.518 -1.044 -4.581 604 HZ1 LYS 74 HZ1 LYS 74 84.300 -2.485 -5.733 605 HZ2 LYS 74 HZ2 LYS 74 82.973 -3.270 -6.448 606 HZ3 LYS 74 HZ3 LYS 74 83.135 -3.238 -4.757 607 H THR 75 HN THR 75 78.830 -0.636 -1.438 608 HA THR 75 HA THR 75 79.224 -2.169 0.833 609 HB THR 75 HB THR 75 77.521 -0.902 1.881 610 HG1 THR 75 HG1 THR 75 75.824 -0.014 0.718 611 HG21 THR 75 HG21 THR 75 78.012 0.996 -0.360 612 HG22 THR 75 HG22 THR 75 79.443 0.338 0.431 613 HG23 THR 75 HG23 THR 75 78.246 1.221 1.367 614 H HIS 76 HN HIS 76 77.181 -2.946 -1.817 615 HA HIS 76 HA HIS 76 75.316 -4.621 -0.322 616 HB2 HIS 76 HB2 HIS 76 75.912 -4.308 -3.273 617 HB3 HIS 76 HB1 HIS 76 74.694 -5.422 -2.651 618 HD1 HIS 76 HD1 HIS 76 75.516 -1.826 -1.659 619 HD2 HIS 76 HD2 HIS 76 72.287 -4.113 -2.969 620 HE1 HIS 76 HE1 HIS 76 73.502 -0.290 -1.654 621 H TRP 77 HN TRP 77 77.966 -5.354 0.336 622 HA TRP 77 HA TRP 77 77.865 -8.164 -0.050 623 HB2 TRP 77 HB2 TRP 77 79.008 -6.700 -2.255 624 HB3 TRP 77 HB1 TRP 77 80.277 -7.621 -1.496 625 HD1 TRP 77 HD1 TRP 77 77.978 -8.000 -4.164 626 HE1 TRP 77 HE1 TRP 77 77.370 -10.465 -4.615 627 HE3 TRP 77 HE3 TRP 77 79.641 -10.126 0.168 628 HZ2 TRP 77 HZ2 TRP 77 77.563 -13.004 -3.308 629 HZ3 TRP 77 HZ3 TRP 77 79.418 -12.565 0.541 630 HH2 TRP 77 HH2 TRP 77 78.382 -14.006 -1.191 631 H THR 78 HN THR 78 81.080 -8.203 -0.047 632 HA THR 78 HA THR 78 81.515 -6.763 2.491 633 HB THR 78 HB THR 78 82.327 -9.542 2.899 634 HG1 THR 78 HG1 THR 78 80.619 -10.572 2.320 635 HG21 THR 78 HG21 THR 78 82.032 -8.255 4.827 636 HG22 THR 78 HG22 THR 78 80.591 -9.272 4.799 637 HG23 THR 78 HG23 THR 78 80.485 -7.594 4.290 638 H LEU 79 HN LEU 79 83.725 -7.087 3.283 639 HA LEU 79 HA LEU 79 85.760 -6.398 1.535 640 HB2 LEU 79 HB2 LEU 79 85.802 -7.992 4.091 641 HB3 LEU 79 HB1 LEU 79 87.295 -7.596 3.262 642 HG LEU 79 HG LEU 79 86.921 -5.233 3.580 643 HD11 LEU 79 HD11 LEU 79 84.517 -5.112 3.195 644 HD12 LEU 79 HD12 LEU 79 84.866 -4.454 4.794 645 HD13 LEU 79 HD13 LEU 79 84.223 -6.083 4.638 646 HD21 LEU 79 HD21 LEU 79 86.772 -5.130 6.062 647 HD22 LEU 79 HD22 LEU 79 87.808 -6.457 5.528 648 HD23 LEU 79 HD23 LEU 79 86.164 -6.789 6.078 649 H ASP 80 HN ASP 80 85.192 -9.605 2.881 650 HA ASP 80 HA ASP 80 86.934 -11.183 1.435 651 HB2 ASP 80 HB2 ASP 80 85.201 -11.794 3.214 652 HB3 ASP 80 HB1 ASP 80 84.061 -11.974 1.887 653 H LYS 81 HN LYS 81 83.812 -9.921 0.306 654 HA LYS 81 HA LYS 81 83.758 -11.502 -2.040 655 HB2 LYS 81 HB2 LYS 81 81.668 -10.660 -1.975 656 HB3 LYS 81 HB1 LYS 81 82.166 -9.395 -0.875 657 HG2 LYS 81 HG2 LYS 81 82.760 -9.156 -3.818 658 HG3 LYS 81 HG1 LYS 81 81.171 -8.765 -3.219 659 HD2 LYS 81 HD2 LYS 81 82.450 -7.274 -1.500 660 HD3 LYS 81 HD1 LYS 81 83.782 -7.444 -2.591 661 HE2 LYS 81 HE2 LYS 81 82.145 -6.705 -4.441 662 HE3 LYS 81 HE1 LYS 81 81.117 -6.199 -3.109 663 HZ1 LYS 81 HZ1 LYS 81 83.776 -5.316 -2.705 664 HZ2 LYS 81 HZ2 LYS 81 82.347 -4.401 -2.796 665 HZ3 LYS 81 HZ3 LYS 81 83.206 -4.785 -4.211 666 H TYR 82 HN TYR 82 85.321 -8.422 -1.329 667 HA TYR 82 HA TYR 82 86.299 -8.335 -4.154 668 HB2 TYR 82 HB2 TYR 82 85.749 -6.301 -2.256 669 HB3 TYR 82 HB1 TYR 82 87.498 -6.305 -2.416 670 HD1 TYR 82 HD1 TYR 82 88.431 -5.025 -4.148 671 HD2 TYR 82 HD2 TYR 82 84.450 -6.542 -4.600 672 HE1 TYR 82 HE1 TYR 82 88.233 -3.850 -6.319 673 HE2 TYR 82 HE2 TYR 82 84.243 -5.369 -6.768 674 HH TYR 82 HH TYR 82 86.996 -3.672 -8.202 675 H GLY 83 HN GLY 83 87.506 -8.818 -0.845 676 HA2 GLY 83 HA2 GLY 83 89.303 -10.558 -0.628 677 HA3 GLY 83 HA1 GLY 83 90.074 -9.849 -2.047 678 H ILE 84 HN ILE 84 88.637 -7.542 -0.013 679 HA ILE 84 HA ILE 84 91.106 -6.245 0.573 680 HB ILE 84 HB ILE 84 88.410 -6.028 1.949 681 HG12 ILE 84 HG12 ILE 84 89.601 -4.130 -0.078 682 HG13 ILE 84 HG11 ILE 84 88.658 -5.527 -0.574 683 HG21 ILE 84 HG21 ILE 84 89.193 -3.843 2.721 684 HG22 ILE 84 HG22 ILE 84 90.743 -4.087 1.921 685 HG23 ILE 84 HG23 ILE 84 90.289 -5.084 3.297 686 HD11 ILE 84 HD11 ILE 84 87.488 -3.745 1.542 687 HD12 ILE 84 HD12 ILE 84 86.679 -4.685 0.284 688 HD13 ILE 84 HD13 ILE 84 87.483 -3.174 -0.128 689 H GLN 85 HN GLN 85 92.141 -6.039 2.670 690 HA GLN 85 HA GLN 85 91.481 -7.750 4.887 691 HB2 GLN 85 HB2 GLN 85 92.578 -9.228 2.899 692 HB3 GLN 85 HB1 GLN 85 94.059 -8.656 3.654 693 HG2 GLN 85 HG2 GLN 85 93.709 -10.578 4.912 694 HG3 GLN 85 HG1 GLN 85 92.817 -9.417 5.893 695 HE21 GLN 85 HE21 GLN 85 90.486 -9.105 4.377 696 HE22 GLN 85 HE22 GLN 85 89.649 -10.572 4.318 697 H ALA 86 HN ALA 86 93.775 -7.952 6.225 698 HA ALA 86 HA ALA 86 94.413 -5.299 7.016 699 HB1 ALA 86 HB1 ALA 86 95.731 -7.974 7.440 700 HB2 ALA 86 HB2 ALA 86 94.802 -7.020 8.599 701 HB3 ALA 86 HB3 ALA 86 96.419 -6.499 8.123 702 H ASP 87 HN ASP 87 95.733 -7.350 4.533 703 HA ASP 87 HA ASP 87 98.190 -5.785 4.242 704 HB2 ASP 87 HB2 ASP 87 98.335 -7.170 2.077 705 HB3 ASP 87 HB1 ASP 87 98.379 -8.066 3.597 706 H ALA 88 HN ALA 88 94.986 -5.321 3.485 707 HA ALA 88 HA ALA 88 95.510 -3.775 0.995 708 HB1 ALA 88 HB1 ALA 88 93.606 -5.380 1.114 709 HB2 ALA 88 HB2 ALA 88 93.075 -3.722 0.812 710 HB3 ALA 88 HB3 ALA 88 92.932 -4.421 2.426 711 H LYS 89 HN LYS 89 96.139 -1.674 1.415 712 HA LYS 89 HA LYS 89 95.031 -0.301 3.821 713 HB2 LYS 89 HB2 LYS 89 97.061 0.937 1.979 714 HB3 LYS 89 HB1 LYS 89 96.825 1.183 3.709 715 HG2 LYS 89 HG2 LYS 89 97.854 -1.384 2.460 716 HG3 LYS 89 HG1 LYS 89 98.859 -0.143 3.179 717 HD2 LYS 89 HD2 LYS 89 98.008 -0.533 5.359 718 HD3 LYS 89 HD1 LYS 89 96.646 -1.465 4.747 719 HE2 LYS 89 HE2 LYS 89 98.367 -2.950 5.682 720 HE3 LYS 89 HE1 LYS 89 98.161 -3.209 3.950 721 HZ1 LYS 89 HZ1 LYS 89 100.131 -1.221 4.747 722 HZ2 LYS 89 HZ2 LYS 89 100.179 -2.354 3.482 723 HZ3 LYS 89 HZ3 LYS 89 100.524 -2.838 5.074 724 H LEU 90 HN LEU 90 93.272 0.771 3.559 725 HA LEU 90 HA LEU 90 92.540 1.873 0.886 726 HB2 LEU 90 HB2 LEU 90 90.683 1.928 3.246 727 HB3 LEU 90 HB1 LEU 90 90.305 1.772 1.535 728 HG LEU 90 HG LEU 90 91.614 -0.335 3.264 729 HD11 LEU 90 HD11 LEU 90 88.824 0.039 2.171 730 HD12 LEU 90 HD12 LEU 90 89.314 -0.242 3.842 731 HD13 LEU 90 HD13 LEU 90 89.429 -1.541 2.659 732 HD21 LEU 90 HD21 LEU 90 92.430 -0.486 0.974 733 HD22 LEU 90 HD22 LEU 90 90.791 -0.324 0.344 734 HD23 LEU 90 HD23 LEU 90 91.255 -1.774 1.234 735 H GLN 91 HN GLN 91 91.152 3.981 1.204 736 HA GLN 91 HA GLN 91 92.536 5.848 3.083 737 HB2 GLN 91 HB2 GLN 91 91.689 6.547 0.258 738 HB3 GLN 91 HB1 GLN 91 92.608 7.552 1.371 739 HG2 GLN 91 HG2 GLN 91 94.572 6.308 1.096 740 HG3 GLN 91 HG1 GLN 91 93.718 4.872 0.566 741 HE21 GLN 91 HE21 GLN 91 92.540 7.728 -0.841 742 HE22 GLN 91 HE22 GLN 91 93.291 7.561 -2.347 743 H PHE 92 HN PHE 92 91.164 7.864 3.357 744 HA PHE 92 HA PHE 92 88.245 7.330 2.982 745 HB2 PHE 92 HB2 PHE 92 88.875 6.680 5.250 746 HB3 PHE 92 HB1 PHE 92 89.648 8.224 5.518 747 HD1 PHE 92 HD1 PHE 92 88.424 9.525 7.026 748 HD2 PHE 92 HD2 PHE 92 86.290 7.127 4.174 749 HE1 PHE 92 HE1 PHE 92 86.291 10.377 7.915 750 HE2 PHE 92 HE2 PHE 92 84.155 7.973 5.075 751 HZ PHE 92 HZ PHE 92 84.157 9.609 6.948 752 H THR 93 HN THR 93 88.086 8.811 1.356 753 HA THR 93 HA THR 93 88.664 11.669 2.097 754 HB THR 93 HB THR 93 90.372 11.396 0.567 755 HG1 THR 93 HG1 THR 93 89.667 12.040 -1.472 756 HG21 THR 93 HG21 THR 93 90.274 9.063 0.206 757 HG22 THR 93 HG22 THR 93 90.100 9.755 -1.406 758 HG23 THR 93 HG23 THR 93 88.681 9.159 -0.545 759 HA PRO 94 HA PRO 94 84.569 12.619 0.653 760 HB2 PRO 94 HB2 PRO 94 84.930 15.135 -0.380 761 HB3 PRO 94 HB1 PRO 94 84.932 14.794 1.362 762 HG2 PRO 94 HG2 PRO 94 87.251 15.135 -0.495 763 HG3 PRO 94 HG1 PRO 94 87.011 15.792 1.136 764 HD2 PRO 94 HD2 PRO 94 88.553 13.611 0.707 765 HD3 PRO 94 HD1 PRO 94 87.571 13.781 2.176 766 H TYR 541 HT1 TYR 541 43.264 35.748 10.623 767 HA TYR 541 HA TYR 541 43.332 34.241 8.916 768 HB2 TYR 541 HB2 TYR 541 41.354 35.966 7.399 769 HB3 TYR 541 HB1 TYR 541 41.903 34.348 6.962 770 HD1 TYR 541 HD1 TYR 541 39.875 36.311 9.351 771 HD2 TYR 541 HD2 TYR 541 41.050 32.379 8.081 772 HE1 TYR 541 HE1 TYR 541 38.069 35.325 10.734 773 HE2 TYR 541 HE2 TYR 541 39.244 31.392 9.466 774 HH TYR 541 HH TYR 541 36.711 32.830 10.475 775 H HIS 542 HN HIS 542 45.078 36.319 9.460 776 HA HIS 542 HA HIS 542 45.585 37.983 7.159 777 HB2 HIS 542 HB2 HIS 542 47.326 37.166 9.501 778 HB3 HIS 542 HB1 HIS 542 47.778 38.373 8.304 779 HD1 HIS 542 HD1 HIS 542 46.326 40.582 8.220 780 HD2 HIS 542 HD2 HIS 542 45.460 38.049 11.416 781 HE1 HIS 542 HE1 HIS 542 44.941 41.936 9.852 782 H GLU 543 HN GLU 543 48.355 36.225 8.233 783 HA GLU 543 HA GLU 543 48.287 34.411 5.872 784 HB2 GLU 543 HB2 GLU 543 50.685 35.148 5.368 785 HB3 GLU 543 HB1 GLU 543 49.414 36.293 4.936 786 HG2 GLU 543 HG2 GLU 543 49.837 37.640 6.864 787 HG3 GLU 543 HG1 GLU 543 50.857 36.398 7.592 788 H ARG 544 HN ARG 544 48.944 34.869 9.115 789 HA ARG 544 HA ARG 544 50.061 33.635 10.739 790 HB2 ARG 544 HB2 ARG 544 49.334 31.675 8.591 791 HB3 ARG 544 HB1 ARG 544 50.245 31.116 9.985 792 HG2 ARG 544 HG2 ARG 544 48.079 30.757 10.753 793 HG3 ARG 544 HG1 ARG 544 48.323 32.398 11.334 794 HD2 ARG 544 HD2 ARG 544 46.286 32.650 10.249 795 HD3 ARG 544 HD1 ARG 544 47.387 33.021 8.920 796 HE ARG 544 HE ARG 544 47.053 30.290 8.720 797 HH11 ARG 544 HH11 ARG 544 45.402 29.340 7.503 798 HH12 ARG 544 HH12 ARG 544 43.944 30.228 7.206 799 HH21 ARG 544 HH21 ARG 544 44.981 33.033 8.961 800 HH22 ARG 544 HH22 ARG 544 43.706 32.319 8.030 801 H ARG 545 HN ARG 545 52.165 33.834 11.261 802 HA ARG 545 HA ARG 545 54.302 34.282 9.562 803 HB2 ARG 545 HB2 ARG 545 54.457 32.735 12.165 804 HB3 ARG 545 HB1 ARG 545 55.742 33.673 11.417 805 HG2 ARG 545 HG2 ARG 545 53.111 34.788 12.414 806 HG3 ARG 545 HG1 ARG 545 54.654 34.911 13.247 807 HD2 ARG 545 HD2 ARG 545 55.493 35.991 11.011 808 HD3 ARG 545 HD1 ARG 545 53.774 36.247 10.702 809 HE ARG 545 HE ARG 545 54.144 37.224 13.269 810 HH11 ARG 545 HH11 ARG 545 54.689 39.378 13.684 811 HH12 ARG 545 HH12 ARG 545 55.499 40.302 12.464 812 HH21 ARG 545 HH21 ARG 545 55.581 37.701 10.173 813 HH22 ARG 545 HH22 ARG 545 56.005 39.352 10.477 814 H GLY 546 HN GLY 546 54.726 31.269 11.303 815 HA2 GLY 546 HA2 GLY 546 54.480 29.618 8.889 816 HA3 GLY 546 HA1 GLY 546 56.138 29.855 9.445 817 H SER 547 HN SER 547 56.876 28.573 11.087 818 HA SER 547 HA SER 547 55.047 27.377 13.033 819 HB2 SER 547 HB2 SER 547 56.194 25.806 10.749 820 HB3 SER 547 HB1 SER 547 56.091 25.027 12.326 821 HG SER 547 HG SER 547 54.137 25.608 10.538 822 H LEU 548 HN LEU 548 56.247 27.663 14.863 823 HA LEU 548 HA LEU 548 59.029 28.185 14.832 824 HB2 LEU 548 HB2 LEU 548 56.944 27.732 16.879 825 HB3 LEU 548 HB1 LEU 548 58.566 27.315 17.416 826 HG LEU 548 HG LEU 548 59.307 29.606 16.573 827 HD11 LEU 548 HD11 LEU 548 57.332 31.268 16.502 828 HD12 LEU 548 HD12 LEU 548 56.326 29.851 16.219 829 HD13 LEU 548 HD13 LEU 548 57.608 30.262 15.088 830 HD21 LEU 548 HD21 LEU 548 58.688 28.992 18.991 831 HD22 LEU 548 HD22 LEU 548 57.167 29.825 18.678 832 HD23 LEU 548 HD23 LEU 548 58.695 30.702 18.563 833 H CYS 549 HN CYS 549 60.823 26.895 14.970 834 HA CYS 549 HA CYS 549 60.403 23.994 14.677 835 HB2 CYS 549 HB2 CYS 549 62.174 24.775 13.326 836 HB3 CYS 549 HB1 CYS 549 62.747 25.890 14.552 837 H SER 550 HN SER 550 59.771 23.156 16.600 838 HA SER 550 HA SER 550 60.307 24.109 19.155 839 HB2 SER 550 HB2 SER 550 58.660 22.441 18.962 840 HB3 SER 550 HB1 SER 550 59.768 21.286 18.232 841 HG SER 550 HG SER 550 60.341 22.358 20.762 842 H GLY 551 HN GLY 551 62.008 24.271 20.341 843 HA2 GLY 551 HA2 GLY 551 64.069 23.295 21.335 844 HA3 GLY 551 HA1 GLY 551 64.434 22.611 19.745 845 H CYS 552 HN CYS 552 63.499 24.875 18.291 846 HA CYS 552 HA CYS 552 65.745 26.793 18.756 847 HB2 CYS 552 HB2 CYS 552 64.174 25.851 16.370 848 HB3 CYS 552 HB1 CYS 552 64.937 27.431 16.329 849 H GLN 553 HN GLN 553 62.311 26.366 18.218 850 HA GLN 553 HA GLN 553 60.525 27.774 18.415 851 HB2 GLN 553 HB2 GLN 553 62.313 29.037 20.473 852 HB3 GLN 553 HB1 GLN 553 60.604 29.431 20.261 853 HG2 GLN 553 HG2 GLN 553 61.635 26.632 20.732 854 HG3 GLN 553 HG1 GLN 553 61.029 27.669 22.009 855 HE21 GLN 553 HE21 GLN 553 60.099 25.944 19.061 856 HE22 GLN 553 HE22 GLN 553 58.433 25.908 19.389 857 H LYS 554 HN LYS 554 61.597 28.237 16.264 858 HA LYS 554 HA LYS 554 61.468 31.170 15.874 859 HB2 LYS 554 HB2 LYS 554 63.571 29.371 14.641 860 HB3 LYS 554 HB1 LYS 554 63.303 31.046 14.181 861 HG2 LYS 554 HG2 LYS 554 64.018 30.140 16.982 862 HG3 LYS 554 HG1 LYS 554 65.186 30.742 15.811 863 HD2 LYS 554 HD2 LYS 554 63.558 32.815 15.672 864 HD3 LYS 554 HD1 LYS 554 62.987 32.227 17.232 865 HE2 LYS 554 HE2 LYS 554 65.467 32.174 17.925 866 HE3 LYS 554 HE1 LYS 554 65.760 33.159 16.491 867 HZ1 LYS 554 HZ1 LYS 554 65.285 34.319 18.718 868 HZ2 LYS 554 HZ2 LYS 554 63.662 33.913 18.419 869 HZ3 LYS 554 HZ3 LYS 554 64.511 34.895 17.323 870 HA PRO 555 HA PRO 555 58.311 29.486 13.072 871 HB2 PRO 555 HB2 PRO 555 58.948 31.868 11.425 872 HB3 PRO 555 HB1 PRO 555 57.388 31.297 12.020 873 HG2 PRO 555 HG2 PRO 555 58.740 33.426 13.118 874 HG3 PRO 555 HG1 PRO 555 57.589 32.434 14.019 875 HD2 PRO 555 HD2 PRO 555 60.520 32.578 14.323 876 HD3 PRO 555 HD1 PRO 555 59.322 31.839 15.415 877 H ILE 556 HN ILE 556 58.416 28.093 11.475 878 HA ILE 556 HA ILE 556 60.898 27.830 9.870 879 HB ILE 556 HB ILE 556 58.476 26.052 10.310 880 HG12 ILE 556 HG12 ILE 556 61.317 25.386 11.077 881 HG13 ILE 556 HG11 ILE 556 60.389 26.439 12.123 882 HG21 ILE 556 HG21 ILE 556 59.263 25.593 8.104 883 HG22 ILE 556 HG22 ILE 556 59.942 24.342 9.144 884 HG23 ILE 556 HG23 ILE 556 60.950 25.685 8.612 885 HD11 ILE 556 HD11 ILE 556 58.965 23.969 11.265 886 HD12 ILE 556 HD12 ILE 556 59.036 24.736 12.851 887 HD13 ILE 556 HD13 ILE 556 60.361 23.715 12.308 888 H THR 557 HN THR 557 60.639 29.380 8.212 889 HA THR 557 HA THR 557 58.060 29.412 6.714 890 HB THR 557 HB THR 557 58.657 31.560 5.981 891 HG1 THR 557 HG1 THR 557 60.642 32.030 5.505 892 HG21 THR 557 HG21 THR 557 58.282 31.264 8.485 893 HG22 THR 557 HG22 THR 557 59.144 32.731 8.011 894 HG23 THR 557 HG23 THR 557 60.034 31.354 8.663 895 H GLY 558 HN GLY 558 58.299 27.546 5.497 896 HA2 GLY 558 HA2 GLY 558 59.127 27.615 2.907 897 HA3 GLY 558 HA1 GLY 558 60.607 27.128 3.746 898 H ARG 559 HN ARG 559 60.718 25.109 4.673 899 HA ARG 559 HA ARG 559 58.432 23.241 4.179 900 HB2 ARG 559 HB2 ARG 559 61.426 22.957 3.999 901 HB3 ARG 559 HB1 ARG 559 60.471 21.539 4.430 902 HG2 ARG 559 HG2 ARG 559 59.673 23.205 2.054 903 HG3 ARG 559 HG1 ARG 559 60.994 22.060 1.894 904 HD2 ARG 559 HD2 ARG 559 59.624 20.210 2.351 905 HD3 ARG 559 HD1 ARG 559 58.368 21.183 3.103 906 HE ARG 559 HE ARG 559 58.590 20.458 0.312 907 HH11 ARG 559 HH11 ARG 559 57.480 21.529 -1.306 908 HH12 ARG 559 HH12 ARG 559 56.748 23.063 -0.972 909 HH21 ARG 559 HH21 ARG 559 57.769 23.138 2.336 910 HH22 ARG 559 HH22 ARG 559 56.911 23.971 1.083 911 H CYS 560 HN CYS 560 57.953 21.798 5.952 912 HA CYS 560 HA CYS 560 59.454 22.268 8.464 913 HB2 CYS 560 HB2 CYS 560 57.378 22.657 9.742 914 HB3 CYS 560 HB1 CYS 560 57.695 23.940 8.570 915 HG CYS 560 HG CYS 560 55.144 22.796 8.542 916 H ILE 561 HN ILE 561 59.838 20.492 9.467 917 HA ILE 561 HA ILE 561 58.374 18.030 8.756 918 HB ILE 561 HB ILE 561 60.804 18.554 10.493 919 HG12 ILE 561 HG12 ILE 561 60.405 17.440 7.723 920 HG13 ILE 561 HG11 ILE 561 61.143 18.982 8.118 921 HG21 ILE 561 HG21 ILE 561 59.486 16.492 11.155 922 HG22 ILE 561 HG22 ILE 561 61.106 16.147 10.561 923 HG23 ILE 561 HG23 ILE 561 59.714 15.901 9.507 924 HD11 ILE 561 HD11 ILE 561 62.846 17.677 9.479 925 HD12 ILE 561 HD12 ILE 561 62.955 17.467 7.730 926 HD13 ILE 561 HD13 ILE 561 62.200 16.215 8.727 927 H THR 562 HN THR 562 57.266 16.876 10.275 928 HA THR 562 HA THR 562 56.663 18.264 12.857 929 HB THR 562 HB THR 562 54.736 16.428 11.451 930 HG1 THR 562 HG1 THR 562 55.380 19.062 10.964 931 HG21 THR 562 HG21 THR 562 53.143 17.345 12.981 932 HG22 THR 562 HG22 THR 562 54.251 18.631 13.460 933 HG23 THR 562 HG23 THR 562 54.576 16.963 13.941 934 H ALA 563 HN ALA 563 56.502 17.016 14.661 935 HA ALA 563 HA ALA 563 57.438 14.187 14.418 936 HB1 ALA 563 HB1 ALA 563 59.139 15.825 15.262 937 HB2 ALA 563 HB2 ALA 563 58.746 14.540 16.416 938 HB3 ALA 563 HB3 ALA 563 58.062 16.156 16.621 939 H MET 564 HN MET 564 57.146 14.635 17.524 940 HA MET 564 HA MET 564 54.689 13.196 17.826 941 HB2 MET 564 HB2 MET 564 55.929 14.854 20.009 942 HB3 MET 564 HB1 MET 564 55.166 13.265 20.118 943 HG2 MET 564 HG2 MET 564 57.109 12.442 18.621 944 HG3 MET 564 HG1 MET 564 57.886 13.971 19.028 945 HE1 MET 564 HE1 MET 564 59.176 11.174 19.632 946 HE2 MET 564 HE2 MET 564 59.844 11.497 21.230 947 HE3 MET 564 HE3 MET 564 59.895 12.750 19.992 948 H ALA 565 HN ALA 565 54.658 15.778 16.437 949 HA ALA 565 HA ALA 565 52.665 17.127 16.106 950 HB1 ALA 565 HB1 ALA 565 51.637 16.356 18.306 951 HB2 ALA 565 HB2 ALA 565 51.449 18.069 17.946 952 HB3 ALA 565 HB3 ALA 565 52.666 17.550 19.107 953 H LYS 566 HN LYS 566 55.664 17.292 17.549 954 HA LYS 566 HA LYS 566 55.793 20.230 17.756 955 HB2 LYS 566 HB2 LYS 566 57.641 17.922 18.203 956 HB3 LYS 566 HB1 LYS 566 58.398 19.453 17.781 957 HG2 LYS 566 HG2 LYS 566 57.513 20.551 19.675 958 HG3 LYS 566 HG1 LYS 566 56.326 19.282 19.969 959 HD2 LYS 566 HD2 LYS 566 59.248 18.556 20.014 960 HD3 LYS 566 HD1 LYS 566 58.568 19.401 21.398 961 HE2 LYS 566 HE2 LYS 566 57.106 17.641 21.921 962 HE3 LYS 566 HE1 LYS 566 57.130 16.997 20.275 963 HZ1 LYS 566 HZ1 LYS 566 58.429 15.723 21.997 964 HZ2 LYS 566 HZ2 LYS 566 59.528 17.019 22.019 965 HZ3 LYS 566 HZ3 LYS 566 59.279 16.137 20.589 966 H LYS 567 HN LYS 567 57.382 21.430 16.384 967 HA LYS 567 HA LYS 567 57.363 20.385 13.578 968 HB2 LYS 567 HB2 LYS 567 57.955 23.230 14.322 969 HB3 LYS 567 HB1 LYS 567 57.253 22.607 12.842 970 HG2 LYS 567 HG2 LYS 567 55.889 22.684 15.557 971 HG3 LYS 567 HG1 LYS 567 55.550 23.750 14.206 972 HD2 LYS 567 HD2 LYS 567 55.173 20.728 14.165 973 HD3 LYS 567 HD1 LYS 567 53.888 21.922 14.349 974 HE2 LYS 567 HE2 LYS 567 54.825 22.926 12.124 975 HE3 LYS 567 HE1 LYS 567 55.582 21.345 11.938 976 HZ1 LYS 567 HZ1 LYS 567 52.703 21.649 12.538 977 HZ2 LYS 567 HZ2 LYS 567 53.517 20.278 11.951 978 HZ3 LYS 567 HZ3 LYS 567 53.294 21.631 10.948 979 H PHE 568 HN PHE 568 59.444 21.334 12.348 980 HA PHE 568 HA PHE 568 61.773 21.606 14.115 981 HB2 PHE 568 HB2 PHE 568 60.943 18.974 13.207 982 HB3 PHE 568 HB1 PHE 568 62.504 19.340 12.500 983 HD1 PHE 568 HD1 PHE 568 60.756 18.303 15.472 984 HD2 PHE 568 HD2 PHE 568 64.366 20.174 14.084 985 HE1 PHE 568 HE1 PHE 568 61.851 17.800 17.640 986 HE2 PHE 568 HE2 PHE 568 65.459 19.671 16.252 987 HZ PHE 568 HZ PHE 568 64.203 18.485 18.029 988 H HIS 569 HN HIS 569 63.399 22.635 13.059 989 HA HIS 569 HA HIS 569 63.024 23.772 10.494 990 HB2 HIS 569 HB2 HIS 569 65.402 23.248 12.230 991 HB3 HIS 569 HB1 HIS 569 65.683 23.784 10.585 992 HD2 HIS 569 HD2 HIS 569 63.910 26.294 10.124 993 HE1 HIS 569 HE1 HIS 569 64.834 27.546 14.042 994 HA PRO 570 HA PRO 570 63.296 19.708 8.413 995 HB2 PRO 570 HB2 PRO 570 64.017 21.436 6.080 996 HB3 PRO 570 HB1 PRO 570 62.792 20.162 6.199 997 HG2 PRO 570 HG2 PRO 570 62.150 22.815 6.203 998 HG3 PRO 570 HG1 PRO 570 61.189 21.595 7.047 999 HD2 PRO 570 HD2 PRO 570 62.944 23.691 8.186 1000 HD3 PRO 570 HD1 PRO 570 61.628 22.777 8.962 1001 H GLU 571 HN GLU 571 65.702 22.116 8.818 1002 HA GLU 571 HA GLU 571 67.867 20.460 7.666 1003 HB2 GLU 571 HB2 GLU 571 68.279 23.076 9.099 1004 HB3 GLU 571 HB1 GLU 571 69.206 22.375 7.774 1005 HG2 GLU 571 HG2 GLU 571 67.131 22.619 6.342 1006 HG3 GLU 571 HG1 GLU 571 66.438 23.566 7.663 1007 H HIS 572 HN HIS 572 67.129 22.088 10.749 1008 HA HIS 572 HA HIS 572 69.242 20.894 12.228 1009 HB2 HIS 572 HB2 HIS 572 66.534 21.667 13.359 1010 HB3 HIS 572 HB1 HIS 572 68.067 21.602 14.226 1011 HD2 HIS 572 HD2 HIS 572 69.587 23.076 11.456 1012 HE1 HIS 572 HE1 HIS 572 67.479 26.446 12.850 1013 H PHE 573 HN PHE 573 66.723 19.341 10.751 1014 HA PHE 573 HA PHE 573 67.057 16.962 12.554 1015 HB2 PHE 573 HB2 PHE 573 64.748 18.213 12.595 1016 HB3 PHE 573 HB1 PHE 573 64.519 17.470 11.018 1017 HD1 PHE 573 HD1 PHE 573 63.531 15.342 10.941 1018 HD2 PHE 573 HD2 PHE 573 65.669 16.548 14.468 1019 HE1 PHE 573 HE1 PHE 573 62.901 13.216 12.051 1020 HE2 PHE 573 HE2 PHE 573 65.038 14.421 15.576 1021 HZ PHE 573 HZ PHE 573 63.654 12.755 14.368 1022 H VAL 574 HN VAL 574 68.781 17.192 10.599 1023 HA VAL 574 HA VAL 574 67.763 16.009 8.106 1024 HB VAL 574 HB VAL 574 70.143 16.235 7.368 1025 HG11 VAL 574 HG11 VAL 574 68.213 18.324 7.962 1026 HG12 VAL 574 HG12 VAL 574 69.291 18.176 6.590 1027 HG13 VAL 574 HG13 VAL 574 69.851 18.974 8.036 1028 HG21 VAL 574 HG21 VAL 574 71.085 16.069 9.707 1029 HG22 VAL 574 HG22 VAL 574 70.477 17.705 10.012 1030 HG23 VAL 574 HG23 VAL 574 71.718 17.429 8.777 1031 H CYS 575 HN CYS 575 69.407 14.305 7.170 1032 HA CYS 575 HA CYS 575 69.465 12.007 9.008 1033 HB2 CYS 575 HB2 CYS 575 69.047 11.013 7.008 1034 HB3 CYS 575 HB1 CYS 575 69.534 12.464 6.134 1035 H ALA 576 HN ALA 576 71.449 11.039 9.836 1036 HA ALA 576 HA ALA 576 73.781 12.908 9.577 1037 HB1 ALA 576 HB1 ALA 576 73.833 10.333 11.153 1038 HB2 ALA 576 HB2 ALA 576 72.881 11.687 11.762 1039 HB3 ALA 576 HB3 ALA 576 74.619 11.874 11.503 1040 H PHE 577 HN PHE 577 73.812 12.264 7.263 1041 HA PHE 577 HA PHE 577 76.011 10.431 6.736 1042 HB2 PHE 577 HB2 PHE 577 74.050 8.892 6.362 1043 HB3 PHE 577 HB1 PHE 577 73.412 10.037 5.196 1044 HD1 PHE 577 HD1 PHE 577 75.815 7.349 5.749 1045 HD2 PHE 577 HD2 PHE 577 74.682 10.550 3.122 1046 HE1 PHE 577 HE1 PHE 577 77.161 6.342 3.938 1047 HE2 PHE 577 HE2 PHE 577 76.038 9.544 1.310 1048 HZ PHE 577 HZ PHE 577 77.275 7.435 1.718 1049 H CYS 578 HN CYS 578 73.329 12.073 5.245 1050 HA CYS 578 HA CYS 578 75.119 13.975 3.795 1051 HB2 CYS 578 HB2 CYS 578 73.342 14.188 2.127 1052 HB3 CYS 578 HB1 CYS 578 73.719 12.486 2.294 1053 H LEU 579 HN LEU 579 75.122 15.062 5.810 1054 HA LEU 579 HA LEU 579 73.079 15.914 7.442 1055 HB2 LEU 579 HB2 LEU 579 75.397 17.708 6.764 1056 HB3 LEU 579 HB1 LEU 579 74.633 17.423 8.327 1057 HG LEU 579 HG LEU 579 76.392 15.502 6.769 1058 HD11 LEU 579 HD11 LEU 579 76.741 16.279 9.633 1059 HD12 LEU 579 HD12 LEU 579 77.286 17.383 8.372 1060 HD13 LEU 579 HD13 LEU 579 77.942 15.751 8.468 1061 HD21 LEU 579 HD21 LEU 579 74.526 15.049 9.101 1062 HD22 LEU 579 HD22 LEU 579 75.961 14.045 8.892 1063 HD23 LEU 579 HD23 LEU 579 74.717 14.067 7.649 1064 H LYS 580 HN LYS 580 72.654 16.547 4.254 1065 HA LYS 580 HA LYS 580 72.011 19.438 4.635 1066 HB2 LYS 580 HB2 LYS 580 72.146 19.689 2.351 1067 HB3 LYS 580 HB1 LYS 580 73.187 18.291 2.543 1068 HG2 LYS 580 HG2 LYS 580 70.229 18.080 1.826 1069 HG3 LYS 580 HG1 LYS 580 71.527 18.131 0.647 1070 HD2 LYS 580 HD2 LYS 580 72.384 16.063 1.270 1071 HD3 LYS 580 HD1 LYS 580 71.655 16.119 2.872 1072 HE2 LYS 580 HE2 LYS 580 70.598 14.559 1.065 1073 HE3 LYS 580 HE1 LYS 580 69.541 15.540 2.080 1074 HZ1 LYS 580 HZ1 LYS 580 70.503 16.317 -0.620 1075 HZ2 LYS 580 HZ2 LYS 580 69.412 17.187 0.350 1076 HZ3 LYS 580 HZ3 LYS 580 68.968 15.675 -0.286 1077 H GLN 581 HN GLN 581 70.189 16.374 3.941 1078 HA GLN 581 HA GLN 581 67.855 17.762 4.998 1079 HB2 GLN 581 HB2 GLN 581 67.983 18.527 2.632 1080 HB3 GLN 581 HB1 GLN 581 67.627 16.872 2.141 1081 HG2 GLN 581 HG2 GLN 581 65.517 17.971 2.218 1082 HG3 GLN 581 HG1 GLN 581 65.583 17.043 3.703 1083 HE21 GLN 581 HE21 GLN 581 66.297 18.284 5.694 1084 HE22 GLN 581 HE22 GLN 581 65.921 19.929 5.775 1085 H LEU 582 HN LEU 582 66.276 16.546 5.751 1086 HA LEU 582 HA LEU 582 66.166 13.664 5.035 1087 HB2 LEU 582 HB2 LEU 582 67.369 14.076 7.217 1088 HB3 LEU 582 HB1 LEU 582 65.864 14.707 7.858 1089 HG LEU 582 HG LEU 582 64.789 12.520 7.462 1090 HD11 LEU 582 HD11 LEU 582 67.317 12.019 6.003 1091 HD12 LEU 582 HD12 LEU 582 65.723 11.348 5.722 1092 HD13 LEU 582 HD13 LEU 582 66.754 10.666 6.978 1093 HD21 LEU 582 HD21 LEU 582 65.625 12.617 9.629 1094 HD22 LEU 582 HD22 LEU 582 67.303 12.711 9.104 1095 HD23 LEU 582 HD23 LEU 582 66.440 11.175 9.026 1096 H ASN 583 HN ASN 583 64.010 12.733 5.868 1097 HA ASN 583 HA ASN 583 61.844 14.765 6.045 1098 HB2 ASN 583 HB2 ASN 583 62.208 12.759 3.813 1099 HB3 ASN 583 HB1 ASN 583 60.597 13.311 4.261 1100 HD21 ASN 583 HD21 ASN 583 61.422 13.949 1.732 1101 HD22 ASN 583 HD22 ASN 583 61.809 15.594 1.626 1102 H LYS 584 HN LYS 584 60.405 14.118 7.534 1103 HA LYS 584 HA LYS 584 60.634 11.839 9.136 1104 HB2 LYS 584 HB2 LYS 584 58.200 12.240 9.650 1105 HB3 LYS 584 HB1 LYS 584 59.219 13.670 9.823 1106 HG2 LYS 584 HG2 LYS 584 58.606 14.406 7.550 1107 HG3 LYS 584 HG1 LYS 584 57.598 12.978 7.350 1108 HD2 LYS 584 HD2 LYS 584 57.188 15.276 9.286 1109 HD3 LYS 584 HD1 LYS 584 56.163 14.827 7.926 1110 HE2 LYS 584 HE2 LYS 584 55.933 12.539 9.176 1111 HE3 LYS 584 HE1 LYS 584 56.484 13.456 10.582 1112 HZ1 LYS 584 HZ1 LYS 584 54.045 13.837 8.966 1113 HZ2 LYS 584 HZ2 LYS 584 54.678 15.109 9.899 1114 HZ3 LYS 584 HZ3 LYS 584 54.191 13.663 10.647 1115 H GLY 585 HN GLY 585 59.327 12.141 5.956 1116 HA2 GLY 585 HA2 GLY 585 57.778 9.656 6.088 1117 HA3 GLY 585 HA1 GLY 585 58.017 10.662 4.663 1118 H THR 586 HN THR 586 60.962 10.647 5.387 1119 HA THR 586 HA THR 586 61.660 7.865 4.538 1120 HB THR 586 HB THR 586 62.953 8.601 2.741 1121 HG1 THR 586 HG1 THR 586 62.994 11.096 4.086 1122 HG21 THR 586 HG21 THR 586 60.510 9.167 2.432 1123 HG22 THR 586 HG22 THR 586 61.603 10.147 1.453 1124 HG23 THR 586 HG23 THR 586 60.889 10.819 2.923 1125 H PHE 587 HN PHE 587 61.753 9.366 7.115 1126 HA PHE 587 HA PHE 587 64.664 9.760 7.493 1127 HB2 PHE 587 HB2 PHE 587 64.197 10.765 9.534 1128 HB3 PHE 587 HB1 PHE 587 62.810 11.212 8.565 1129 HD1 PHE 587 HD1 PHE 587 61.053 8.897 8.610 1130 HD2 PHE 587 HD2 PHE 587 63.530 10.464 11.753 1131 HE1 PHE 587 HE1 PHE 587 59.560 7.874 10.297 1132 HE2 PHE 587 HE2 PHE 587 62.035 9.435 13.438 1133 HZ PHE 587 HZ PHE 587 60.051 8.140 12.712 1134 H LYS 588 HN LYS 588 65.763 7.981 7.577 1135 HA LYS 588 HA LYS 588 64.809 5.603 9.076 1136 HB2 LYS 588 HB2 LYS 588 66.147 5.953 6.623 1137 HB3 LYS 588 HB1 LYS 588 67.411 5.443 7.697 1138 HG2 LYS 588 HG2 LYS 588 66.308 3.555 6.483 1139 HG3 LYS 588 HG1 LYS 588 66.295 3.391 8.225 1140 HD2 LYS 588 HD2 LYS 588 64.140 2.842 6.814 1141 HD3 LYS 588 HD1 LYS 588 63.993 3.643 8.356 1142 HE2 LYS 588 HE2 LYS 588 63.413 5.691 7.373 1143 HE3 LYS 588 HE1 LYS 588 64.234 5.305 5.878 1144 HZ1 LYS 588 HZ1 LYS 588 62.091 4.982 5.262 1145 HZ2 LYS 588 HZ2 LYS 588 61.598 4.479 6.808 1146 HZ3 LYS 588 HZ3 LYS 588 62.464 3.418 5.803 1147 H GLU 589 HN GLU 589 66.596 4.544 10.463 1148 HA GLU 589 HA GLU 589 68.558 6.475 11.540 1149 HB2 GLU 589 HB2 GLU 589 66.806 7.181 12.913 1150 HB3 GLU 589 HB1 GLU 589 66.108 5.571 13.039 1151 HG2 GLU 589 HG2 GLU 589 67.833 4.857 14.545 1152 HG3 GLU 589 HG1 GLU 589 68.810 6.294 14.224 1153 H GLN 590 HN GLN 590 70.005 5.561 12.995 1154 HA GLN 590 HA GLN 590 70.036 2.688 13.494 1155 HB2 GLN 590 HB2 GLN 590 71.057 3.187 11.113 1156 HB3 GLN 590 HB1 GLN 590 72.420 3.816 12.020 1157 HG2 GLN 590 HG2 GLN 590 73.155 1.642 11.980 1158 HG3 GLN 590 HG1 GLN 590 72.036 1.436 13.324 1159 HE21 GLN 590 HE21 GLN 590 72.706 0.522 10.044 1160 HE22 GLN 590 HE22 GLN 590 71.317 -0.423 9.798 1161 H ASN 591 HN ASN 591 71.461 2.274 15.255 1162 HA ASN 591 HA ASN 591 72.424 2.913 17.286 1163 HB2 ASN 591 HB2 ASN 591 74.415 4.714 16.616 1164 HB3 ASN 591 HB1 ASN 591 74.572 2.974 16.512 1165 HD21 ASN 591 HD21 ASN 591 73.403 2.171 14.313 1166 HD22 ASN 591 HD22 ASN 591 73.904 3.011 12.930 1167 H ASP 592 HN ASP 592 70.156 4.635 16.232 1168 HA ASP 592 HA ASP 592 68.939 6.373 17.264 1169 HB2 ASP 592 HB2 ASP 592 71.400 7.356 18.683 1170 HB3 ASP 592 HB1 ASP 592 69.714 7.458 19.183 1171 H LYS 593 HN LYS 593 71.604 6.660 15.298 1172 HA LYS 593 HA LYS 593 71.584 9.585 15.095 1173 HB2 LYS 593 HB2 LYS 593 73.013 7.506 13.462 1174 HB3 LYS 593 HB1 LYS 593 73.336 9.231 13.468 1175 HG2 LYS 593 HG2 LYS 593 73.589 8.777 16.113 1176 HG3 LYS 593 HG1 LYS 593 73.998 7.165 15.534 1177 HD2 LYS 593 HD2 LYS 593 75.787 8.056 14.149 1178 HD3 LYS 593 HD1 LYS 593 75.321 9.709 14.549 1179 HE2 LYS 593 HE2 LYS 593 76.238 7.652 16.577 1180 HE3 LYS 593 HE1 LYS 593 77.268 8.908 15.889 1181 HZ1 LYS 593 HZ1 LYS 593 76.548 10.086 17.637 1182 HZ2 LYS 593 HZ2 LYS 593 75.175 9.116 17.878 1183 HZ3 LYS 593 HZ3 LYS 593 75.160 10.336 16.695 1184 HA PRO 594 HA PRO 594 68.129 9.310 12.121 1185 HB2 PRO 594 HB2 PRO 594 69.365 11.841 11.140 1186 HB3 PRO 594 HB1 PRO 594 67.682 11.513 11.556 1187 HG2 PRO 594 HG2 PRO 594 69.319 12.969 13.143 1188 HG3 PRO 594 HG1 PRO 594 68.047 11.933 13.810 1189 HD2 PRO 594 HD2 PRO 594 70.999 11.522 13.843 1190 HD3 PRO 594 HD1 PRO 594 69.752 10.863 14.927 1191 H TYR 595 HN TYR 595 67.958 9.147 9.697 1192 HA TYR 595 HA TYR 595 70.374 9.133 8.075 1193 HB2 TYR 595 HB2 TYR 595 69.371 6.605 9.329 1194 HB3 TYR 595 HB1 TYR 595 70.005 6.513 7.698 1195 HD1 TYR 595 HD1 TYR 595 72.293 7.955 7.429 1196 HD2 TYR 595 HD2 TYR 595 70.900 6.075 11.019 1197 HE1 TYR 595 HE1 TYR 595 74.632 7.819 8.273 1198 HE2 TYR 595 HE2 TYR 595 73.232 5.953 11.854 1199 HH TYR 595 HH TYR 595 75.442 7.386 11.354 1200 H CYS 596 HN CYS 596 69.779 9.125 5.875 1201 HA CYS 596 HA CYS 596 66.910 8.928 5.235 1202 HB2 CYS 596 HB2 CYS 596 69.205 8.912 3.248 1203 HB3 CYS 596 HB1 CYS 596 67.524 9.320 2.946 1204 H GLN 597 HN GLN 597 66.132 7.154 3.793 1205 HA GLN 597 HA GLN 597 67.164 4.650 4.678 1206 HB2 GLN 597 HB2 GLN 597 64.955 4.467 3.926 1207 HB3 GLN 597 HB1 GLN 597 65.231 5.524 2.573 1208 HG2 GLN 597 HG2 GLN 597 65.025 3.471 1.491 1209 HG3 GLN 597 HG1 GLN 597 66.760 3.543 1.724 1210 HE21 GLN 597 HE21 GLN 597 66.669 3.032 4.605 1211 HE22 GLN 597 HE22 GLN 597 66.231 1.426 4.805 1212 H ASN 598 HN ASN 598 67.424 6.253 1.517 1213 HA ASN 598 HA ASN 598 69.222 4.575 0.242 1214 HB2 ASN 598 HB2 ASN 598 69.676 7.543 0.099 1215 HB3 ASN 598 HB1 ASN 598 69.660 6.356 -1.200 1216 HD21 ASN 598 HD21 ASN 598 67.297 5.086 -0.952 1217 HD22 ASN 598 HD22 ASN 598 65.999 6.165 -1.063 1218 H CYS 599 HN CYS 599 69.828 6.704 2.936 1219 HA CYS 599 HA CYS 599 72.741 6.454 2.721 1220 HB2 CYS 599 HB2 CYS 599 70.917 7.682 4.807 1221 HB3 CYS 599 HB1 CYS 599 72.674 7.691 4.910 1222 H PHE 600 HN PHE 600 70.314 5.557 5.219 1223 HA PHE 600 HA PHE 600 72.008 3.874 6.728 1224 HB2 PHE 600 HB2 PHE 600 70.015 4.208 7.853 1225 HB3 PHE 600 HB1 PHE 600 69.067 4.227 6.376 1226 HD1 PHE 600 HD1 PHE 600 70.307 2.203 9.137 1227 HD2 PHE 600 HD2 PHE 600 68.411 2.061 5.291 1228 HE1 PHE 600 HE1 PHE 600 69.562 -0.120 9.588 1229 HE2 PHE 600 HE2 PHE 600 67.675 -0.263 5.735 1230 HZ PHE 600 HZ PHE 600 68.250 -1.354 7.886 1231 H LEU 601 HN LEU 601 69.822 3.020 4.031 1232 HA LEU 601 HA LEU 601 70.459 0.268 3.950 1233 HB2 LEU 601 HB2 LEU 601 69.058 0.291 2.145 1234 HB3 LEU 601 HB1 LEU 601 68.848 1.996 2.512 1235 HG LEU 601 HG LEU 601 70.782 2.480 0.937 1236 HD11 LEU 601 HD11 LEU 601 70.701 0.183 -0.727 1237 HD12 LEU 601 HD12 LEU 601 70.915 -0.434 0.905 1238 HD13 LEU 601 HD13 LEU 601 72.053 0.735 0.252 1239 HD21 LEU 601 HD21 LEU 601 68.249 2.475 0.351 1240 HD22 LEU 601 HD22 LEU 601 68.591 0.975 -0.497 1241 HD23 LEU 601 HD23 LEU 601 69.397 2.466 -0.981 1242 H LYS 602 HN LYS 602 72.082 3.061 2.530 1243 HA LYS 602 HA LYS 602 74.015 1.780 0.964 1244 HB2 LYS 602 HB2 LYS 602 73.654 4.398 1.957 1245 HB3 LYS 602 HB1 LYS 602 75.242 3.956 2.523 1246 HG2 LYS 602 HG2 LYS 602 74.291 3.848 -0.339 1247 HG3 LYS 602 HG1 LYS 602 75.353 5.063 0.345 1248 HD2 LYS 602 HD2 LYS 602 76.815 2.976 1.010 1249 HD3 LYS 602 HD1 LYS 602 75.911 2.171 -0.263 1250 HE2 LYS 602 HE2 LYS 602 77.725 3.024 -1.467 1251 HE3 LYS 602 HE1 LYS 602 76.540 4.312 -1.670 1252 HZ1 LYS 602 HZ1 LYS 602 78.906 4.228 0.076 1253 HZ2 LYS 602 HZ2 LYS 602 77.589 5.219 0.488 1254 HZ3 LYS 602 HZ3 LYS 602 78.401 5.448 -0.987 1255 H LEU 603 HN LEU 603 73.781 1.947 4.448 1256 HA LEU 603 HA LEU 603 76.513 0.875 4.808 1257 HB2 LEU 603 HB2 LEU 603 74.662 1.243 7.127 1258 HB3 LEU 603 HB1 LEU 603 76.378 1.618 6.988 1259 HG LEU 603 HG LEU 603 74.108 3.188 5.708 1260 HD11 LEU 603 HD11 LEU 603 74.482 3.329 8.240 1261 HD12 LEU 603 HD12 LEU 603 74.495 4.844 7.339 1262 HD13 LEU 603 HD13 LEU 603 76.016 4.110 7.848 1263 HD21 LEU 603 HD21 LEU 603 77.066 3.860 5.843 1264 HD22 LEU 603 HD22 LEU 603 75.809 4.751 4.989 1265 HD23 LEU 603 HD23 LEU 603 76.302 3.163 4.418 1266 H PHE 604 HN PHE 604 73.252 -0.130 5.975 1267 HA PHE 604 HA PHE 604 74.350 -2.844 6.449 1268 HB2 PHE 604 HB2 PHE 604 71.885 -1.346 7.276 1269 HB3 PHE 604 HB1 PHE 604 71.796 -3.107 7.236 1270 HD1 PHE 604 HD1 PHE 604 73.695 -0.229 8.659 1271 HD2 PHE 604 HD2 PHE 604 72.855 -4.435 8.906 1272 HE1 PHE 604 HE1 PHE 604 74.902 -0.344 10.821 1273 HE2 PHE 604 HE2 PHE 604 74.061 -4.548 11.070 1274 HZ PHE 604 HZ PHE 604 75.085 -2.503 12.027 1275 H CYS 605 HN CYS 605 73.750 -1.676 3.676 1276 HA CYS 605 HA CYS 605 72.701 -4.148 2.582 1277 HB2 CYS 605 HB2 CYS 605 70.916 -1.754 2.827 1278 HB3 CYS 605 HB1 CYS 605 70.805 -2.715 1.351 1279 HG CYS 605 HG CYS 605 69.848 -4.639 2.638 Start of MODEL 17 1 H MET 1 HT1 MET 1 91.305 -23.990 8.574 2 HA MET 1 HA MET 1 90.118 -24.476 10.730 3 HB2 MET 1 HB2 MET 1 92.153 -25.704 9.532 4 HB3 MET 1 HB1 MET 1 93.047 -25.163 10.944 5 HG2 MET 1 HG2 MET 1 90.734 -27.082 10.780 6 HG3 MET 1 HG1 MET 1 92.263 -27.265 11.631 7 HE1 MET 1 HE1 MET 1 89.054 -27.721 12.943 8 HE2 MET 1 HE2 MET 1 89.825 -27.515 14.514 9 HE3 MET 1 HE3 MET 1 90.686 -28.346 13.220 10 H ALA 2 HN ALA 2 92.671 -24.716 12.622 11 HA ALA 2 HA ALA 2 92.748 -21.971 13.721 12 HB1 ALA 2 HB1 ALA 2 90.723 -23.232 14.689 13 HB2 ALA 2 HB2 ALA 2 91.858 -22.554 15.856 14 HB3 ALA 2 HB3 ALA 2 91.900 -24.279 15.484 15 H LEU 3 HN LEU 3 93.508 -25.370 14.423 16 HA LEU 3 HA LEU 3 95.763 -25.121 16.014 17 HB2 LEU 3 HB2 LEU 3 95.113 -27.029 13.767 18 HB3 LEU 3 HB1 LEU 3 96.569 -27.220 14.741 19 HG LEU 3 HG LEU 3 93.764 -27.061 15.880 20 HD11 LEU 3 HD11 LEU 3 93.854 -29.081 14.622 21 HD12 LEU 3 HD12 LEU 3 94.186 -29.555 16.289 22 HD13 LEU 3 HD13 LEU 3 95.511 -29.413 15.132 23 HD21 LEU 3 HD21 LEU 3 95.094 -26.537 17.696 24 HD22 LEU 3 HD22 LEU 3 96.512 -27.357 17.046 25 HD23 LEU 3 HD23 LEU 3 95.215 -28.290 17.790 26 H ASP 4 HN ASP 4 96.240 -26.011 12.699 27 HA ASP 4 HA ASP 4 97.791 -25.422 11.113 28 HB2 ASP 4 HB2 ASP 4 96.668 -23.311 11.006 29 HB3 ASP 4 HB1 ASP 4 97.444 -22.761 12.483 30 H GLY 5 HN GLY 5 98.478 -25.493 14.353 31 HA2 GLY 5 HA2 GLY 5 100.686 -26.548 14.910 32 HA3 GLY 5 HA1 GLY 5 101.416 -25.349 13.845 33 H ILE 6 HN ILE 6 99.147 -23.603 14.935 34 HA ILE 6 HA ILE 6 100.536 -22.720 17.444 35 HB ILE 6 HB ILE 6 99.361 -20.436 16.514 36 HG12 ILE 6 HG12 ILE 6 98.632 -21.909 14.477 37 HG13 ILE 6 HG11 ILE 6 99.266 -20.316 14.172 38 HG21 ILE 6 HG21 ILE 6 102.063 -21.590 15.903 39 HG22 ILE 6 HG22 ILE 6 101.626 -20.369 17.098 40 HG23 ILE 6 HG23 ILE 6 101.608 -19.968 15.381 41 HD11 ILE 6 HD11 ILE 6 101.142 -21.108 13.140 42 HD12 ILE 6 HD12 ILE 6 100.157 -22.551 12.915 43 HD13 ILE 6 HD13 ILE 6 101.308 -22.474 14.241 44 H ARG 7 HN ARG 7 97.732 -20.966 16.570 45 HA ARG 7 HA ARG 7 95.767 -22.717 17.700 46 HB2 ARG 7 HB2 ARG 7 95.337 -21.265 19.718 47 HB3 ARG 7 HB1 ARG 7 96.781 -22.260 19.784 48 HG2 ARG 7 HG2 ARG 7 97.328 -19.620 18.595 49 HG3 ARG 7 HG1 ARG 7 96.686 -19.497 20.228 50 HD2 ARG 7 HD2 ARG 7 98.421 -21.022 21.054 51 HD3 ARG 7 HD1 ARG 7 99.042 -21.207 19.419 52 HE ARG 7 HE ARG 7 100.047 -19.063 19.594 53 HH11 ARG 7 HH11 ARG 7 100.678 -17.270 20.820 54 HH12 ARG 7 HH12 ARG 7 99.899 -16.956 22.335 55 HH21 ARG 7 HH21 ARG 7 97.800 -19.708 22.128 56 HH22 ARG 7 HH22 ARG 7 98.271 -18.336 23.074 57 H MET 8 HN MET 8 95.486 -19.411 18.646 58 HA MET 8 HA MET 8 94.269 -18.602 16.098 59 HB2 MET 8 HB2 MET 8 92.204 -17.998 17.962 60 HB3 MET 8 HB1 MET 8 92.151 -19.144 16.640 61 HG2 MET 8 HG2 MET 8 92.868 -20.955 18.006 62 HG3 MET 8 HG1 MET 8 93.334 -19.913 19.330 63 HE1 MET 8 HE1 MET 8 91.728 -22.310 19.979 64 HE2 MET 8 HE2 MET 8 90.972 -22.426 18.392 65 HE3 MET 8 HE3 MET 8 89.966 -22.272 19.830 66 HA PRO 9 HA PRO 9 94.180 -14.639 19.068 67 HB2 PRO 9 HB2 PRO 9 96.140 -15.833 21.018 68 HB3 PRO 9 HB1 PRO 9 94.951 -14.537 21.281 69 HG2 PRO 9 HG2 PRO 9 94.429 -16.967 22.117 70 HG3 PRO 9 HG1 PRO 9 93.174 -16.013 21.302 71 HD2 PRO 9 HD2 PRO 9 94.741 -18.325 20.242 72 HD3 PRO 9 HD1 PRO 9 93.084 -17.832 19.915 73 H ASP 10 HN ASP 10 96.934 -16.787 18.938 74 HA ASP 10 HA ASP 10 98.641 -14.609 17.779 75 HB2 ASP 10 HB2 ASP 10 99.418 -15.898 19.837 76 HB3 ASP 10 HB1 ASP 10 99.562 -17.306 18.784 77 H GLY 11 HN GLY 11 97.389 -17.838 17.225 78 HA2 GLY 11 HA2 GLY 11 98.877 -18.184 14.751 79 HA3 GLY 11 HA1 GLY 11 97.581 -19.229 15.335 80 H CYS 12 HN CYS 12 96.543 -16.102 15.507 81 HA CYS 12 HA CYS 12 95.747 -15.706 12.734 82 HB2 CYS 12 HB2 CYS 12 94.099 -17.370 13.185 83 HB3 CYS 12 HB1 CYS 12 93.767 -16.710 14.784 84 HG CYS 12 HG CYS 12 91.988 -15.956 12.830 85 H TYR 13 HN TYR 13 94.015 -14.901 15.738 86 HA TYR 13 HA TYR 13 95.179 -12.304 16.058 87 HB2 TYR 13 HB2 TYR 13 93.362 -12.476 13.892 88 HB3 TYR 13 HB1 TYR 13 92.437 -11.709 15.176 89 HD1 TYR 13 HD1 TYR 13 94.615 -11.080 12.492 90 HD2 TYR 13 HD2 TYR 13 93.833 -9.842 16.531 91 HE1 TYR 13 HE1 TYR 13 95.776 -8.933 12.058 92 HE2 TYR 13 HE2 TYR 13 94.994 -7.694 16.095 93 HH TYR 13 HH TYR 13 96.371 -6.610 14.653 94 H ALA 14 HN ALA 14 91.913 -13.733 16.235 95 HA ALA 14 HA ALA 14 91.886 -14.249 19.005 96 HB1 ALA 14 HB1 ALA 14 92.068 -11.976 19.601 97 HB2 ALA 14 HB2 ALA 14 90.324 -12.230 19.609 98 HB3 ALA 14 HB3 ALA 14 91.096 -11.447 18.230 99 H ASP 15 HN ASP 15 89.909 -12.850 16.422 100 HA ASP 15 HA ASP 15 88.072 -15.159 16.647 101 HB2 ASP 15 HB2 ASP 15 87.263 -13.219 18.126 102 HB3 ASP 15 HB1 ASP 15 86.978 -12.342 16.622 103 H GLY 16 HN GLY 16 89.935 -13.240 14.791 104 HA2 GLY 16 HA2 GLY 16 90.096 -13.493 12.388 105 HA3 GLY 16 HA1 GLY 16 88.367 -13.841 12.331 106 H THR 17 HN THR 17 89.570 -11.229 14.287 107 HA THR 17 HA THR 17 88.098 -9.308 12.567 108 HB THR 17 HB THR 17 88.585 -7.795 14.612 109 HG1 THR 17 HG1 THR 17 89.732 -10.192 15.315 110 HG21 THR 17 HG21 THR 17 86.378 -8.590 14.345 111 HG22 THR 17 HG22 THR 17 86.825 -9.054 15.985 112 HG23 THR 17 HG23 THR 17 86.847 -10.256 14.693 113 H TRP 18 HN TRP 18 89.242 -8.095 11.195 114 HA TRP 18 HA TRP 18 92.049 -7.322 11.891 115 HB2 TRP 18 HB2 TRP 18 92.282 -7.302 9.274 116 HB3 TRP 18 HB1 TRP 18 92.493 -8.806 10.148 117 HD1 TRP 18 HD1 TRP 18 89.954 -10.216 10.386 118 HE1 TRP 18 HE1 TRP 18 88.339 -10.681 8.394 119 HE3 TRP 18 HE3 TRP 18 91.436 -6.599 7.146 120 HZ2 TRP 18 HZ2 TRP 18 87.831 -9.689 5.816 121 HZ3 TRP 18 HZ3 TRP 18 90.380 -6.411 4.933 122 HH2 TRP 18 HH2 TRP 18 88.566 -7.920 4.265 123 H GLU 19 HN GLU 19 92.339 -5.142 11.830 124 HA GLU 19 HA GLU 19 90.065 -3.484 11.030 125 HB2 GLU 19 HB2 GLU 19 92.133 -1.706 11.665 126 HB3 GLU 19 HB1 GLU 19 90.885 -2.266 12.772 127 HG2 GLU 19 HG2 GLU 19 93.153 -2.607 13.687 128 HG3 GLU 19 HG1 GLU 19 92.292 -4.128 13.460 129 H LEU 20 HN LEU 20 89.883 -2.253 9.239 130 HA LEU 20 HA LEU 20 91.851 -2.694 7.112 131 HB2 LEU 20 HB2 LEU 20 89.078 -2.221 7.185 132 HB3 LEU 20 HB1 LEU 20 89.720 -0.723 6.544 133 HG LEU 20 HG LEU 20 89.298 -2.036 4.636 134 HD11 LEU 20 HD11 LEU 20 92.155 -2.893 4.945 135 HD12 LEU 20 HD12 LEU 20 91.784 -1.167 4.948 136 HD13 LEU 20 HD13 LEU 20 91.333 -2.175 3.570 137 HD21 LEU 20 HD21 LEU 20 89.737 -4.339 4.406 138 HD22 LEU 20 HD22 LEU 20 89.026 -4.168 6.008 139 HD23 LEU 20 HD23 LEU 20 90.775 -4.370 5.832 140 H SER 21 HN SER 21 93.425 -1.172 6.576 141 HA SER 21 HA SER 21 93.643 1.199 8.284 142 HB2 SER 21 HB2 SER 21 95.531 -0.296 7.111 143 HB3 SER 21 HB1 SER 21 95.314 0.886 5.823 144 HG SER 21 HG SER 21 96.877 1.576 7.323 145 H VAL 22 HN VAL 22 93.319 3.334 7.632 146 HA VAL 22 HA VAL 22 92.304 3.769 4.873 147 HB VAL 22 HB VAL 22 90.791 4.387 7.413 148 HG11 VAL 22 HG11 VAL 22 89.214 5.646 5.850 149 HG12 VAL 22 HG12 VAL 22 90.530 5.666 4.676 150 HG13 VAL 22 HG13 VAL 22 90.720 6.479 6.231 151 HG21 VAL 22 HG21 VAL 22 88.977 3.297 6.140 152 HG22 VAL 22 HG22 VAL 22 90.386 2.241 6.257 153 HG23 VAL 22 HG23 VAL 22 90.061 3.119 4.756 154 H HIS 23 HN HIS 23 93.723 5.152 4.090 155 HA HIS 23 HA HIS 23 94.993 7.220 5.745 156 HB2 HIS 23 HB2 HIS 23 95.145 6.326 2.875 157 HB3 HIS 23 HB1 HIS 23 95.886 7.849 3.364 158 HD1 HIS 23 HD1 HIS 23 95.842 4.329 4.874 159 HD2 HIS 23 HD2 HIS 23 98.533 7.376 3.949 160 HE1 HIS 23 HE1 HIS 23 98.127 3.510 5.596 161 H VAL 24 HN VAL 24 93.573 8.891 6.286 162 HA VAL 24 HA VAL 24 91.457 9.675 4.467 163 HB VAL 24 HB VAL 24 92.530 11.324 6.760 164 HG11 VAL 24 HG11 VAL 24 90.297 12.191 6.824 165 HG12 VAL 24 HG12 VAL 24 89.722 10.939 5.735 166 HG13 VAL 24 HG13 VAL 24 90.774 12.198 5.125 167 HG21 VAL 24 HG21 VAL 24 90.748 10.031 8.082 168 HG22 VAL 24 HG22 VAL 24 92.230 9.151 7.711 169 HG23 VAL 24 HG23 VAL 24 90.770 8.857 6.764 170 H THR 25 HN THR 25 91.945 10.669 2.589 171 HA THR 25 HA THR 25 94.366 12.247 2.260 172 HB THR 25 HB THR 25 93.852 12.241 -0.005 173 HG1 THR 25 HG1 THR 25 92.086 13.308 -0.360 174 HG21 THR 25 HG21 THR 25 92.959 10.123 -0.600 175 HG22 THR 25 HG22 THR 25 91.901 10.085 0.810 176 HG23 THR 25 HG23 THR 25 93.640 9.884 1.009 177 H ASP 26 HN ASP 26 94.172 14.572 1.437 178 HA ASP 26 HA ASP 26 93.371 16.770 1.696 179 HB2 ASP 26 HB2 ASP 26 91.068 15.457 1.239 180 HB3 ASP 26 HB1 ASP 26 90.789 15.832 2.937 181 H LEU 27 HN LEU 27 92.531 14.479 4.265 182 HA LEU 27 HA LEU 27 93.207 16.471 6.355 183 HB2 LEU 27 HB2 LEU 27 91.755 13.878 6.226 184 HB3 LEU 27 HB1 LEU 27 92.576 14.217 7.737 185 HG LEU 27 HG LEU 27 90.773 16.270 6.439 186 HD11 LEU 27 HD11 LEU 27 89.980 13.993 8.272 187 HD12 LEU 27 HD12 LEU 27 89.361 14.329 6.654 188 HD13 LEU 27 HD13 LEU 27 88.973 15.414 7.990 189 HD21 LEU 27 HD21 LEU 27 92.470 16.479 8.572 190 HD22 LEU 27 HD22 LEU 27 90.999 15.962 9.397 191 HD23 LEU 27 HD23 LEU 27 90.989 17.420 8.408 192 H ASN 28 HN ASN 28 94.282 13.537 4.806 193 HA ASN 28 HA ASN 28 96.381 12.524 4.740 194 HB2 ASN 28 HB2 ASN 28 97.140 14.985 4.898 195 HB3 ASN 28 HB1 ASN 28 97.453 14.650 6.595 196 HD21 ASN 28 HD21 ASN 28 98.008 11.739 5.637 197 HD22 ASN 28 HD22 ASN 28 99.619 11.811 5.116 198 H ARG 29 HN ARG 29 94.357 12.293 7.125 199 HA ARG 29 HA ARG 29 96.198 11.393 9.230 200 HB2 ARG 29 HB2 ARG 29 93.184 11.292 9.016 201 HB3 ARG 29 HB1 ARG 29 94.120 10.880 10.456 202 HG2 ARG 29 HG2 ARG 29 94.927 13.114 10.691 203 HG3 ARG 29 HG1 ARG 29 94.345 13.568 9.097 204 HD2 ARG 29 HD2 ARG 29 92.453 14.316 10.118 205 HD3 ARG 29 HD1 ARG 29 92.050 12.636 10.459 206 HE ARG 29 HE ARG 29 93.116 14.579 12.371 207 HH11 ARG 29 HH11 ARG 29 93.296 13.831 14.493 208 HH12 ARG 29 HH12 ARG 29 93.162 12.134 14.815 209 HH21 ARG 29 HH21 ARG 29 92.670 11.275 11.490 210 HH22 ARG 29 HH22 ARG 29 92.807 10.686 13.114 211 H ASP 30 HN ASP 30 95.327 9.194 10.186 212 HA ASP 30 HA ASP 30 94.771 7.237 8.034 213 HB2 ASP 30 HB2 ASP 30 97.121 7.155 9.932 214 HB3 ASP 30 HB1 ASP 30 96.501 5.716 9.118 215 H VAL 31 HN VAL 31 92.991 6.250 8.688 216 HA VAL 31 HA VAL 31 92.638 5.740 11.633 217 HB VAL 31 HB VAL 31 90.462 5.931 9.540 218 HG11 VAL 31 HG11 VAL 31 89.816 4.695 11.515 219 HG12 VAL 31 HG12 VAL 31 89.094 6.301 11.629 220 HG13 VAL 31 HG13 VAL 31 90.530 5.913 12.571 221 HG21 VAL 31 HG21 VAL 31 91.676 8.096 9.727 222 HG22 VAL 31 HG22 VAL 31 91.469 8.053 11.478 223 HG23 VAL 31 HG23 VAL 31 90.062 8.210 10.428 224 H THR 32 HN THR 32 91.588 3.758 12.207 225 HA THR 32 HA THR 32 91.697 1.606 10.141 226 HB THR 32 HB THR 32 92.447 0.486 12.680 227 HG1 THR 32 HG1 THR 32 94.164 2.597 11.955 228 HG21 THR 32 HG21 THR 32 94.351 -0.305 11.542 229 HG22 THR 32 HG22 THR 32 94.396 1.090 10.463 230 HG23 THR 32 HG23 THR 32 93.149 -0.142 10.262 231 H LEU 33 HN LEU 33 89.906 0.313 10.197 232 HA LEU 33 HA LEU 33 87.993 0.644 12.479 233 HB2 LEU 33 HB2 LEU 33 87.686 0.423 9.510 234 HB3 LEU 33 HB1 LEU 33 86.398 -0.214 10.513 235 HG LEU 33 HG LEU 33 86.121 2.200 9.772 236 HD11 LEU 33 HD11 LEU 33 85.026 2.801 11.737 237 HD12 LEU 33 HD12 LEU 33 86.261 2.107 12.782 238 HD13 LEU 33 HD13 LEU 33 85.137 1.056 11.923 239 HD21 LEU 33 HD21 LEU 33 87.486 3.893 10.673 240 HD22 LEU 33 HD22 LEU 33 88.638 2.648 10.213 241 HD23 LEU 33 HD23 LEU 33 88.158 2.839 11.893 242 H ARG 34 HN ARG 34 88.066 -1.110 13.729 243 HA ARG 34 HA ARG 34 89.023 -3.677 13.012 244 HB2 ARG 34 HB2 ARG 34 88.720 -2.776 15.360 245 HB3 ARG 34 HB1 ARG 34 86.993 -3.058 15.163 246 HG2 ARG 34 HG2 ARG 34 87.932 -4.991 16.275 247 HG3 ARG 34 HG1 ARG 34 87.496 -5.452 14.631 248 HD2 ARG 34 HD2 ARG 34 89.683 -5.696 13.966 249 HD3 ARG 34 HD1 ARG 34 90.286 -4.457 15.064 250 HE ARG 34 HE ARG 34 89.940 -7.298 15.696 251 HH11 ARG 34 HH11 ARG 34 90.663 -7.904 17.753 252 HH12 ARG 34 HH12 ARG 34 91.014 -6.680 18.927 253 HH21 ARG 34 HH21 ARG 34 90.199 -4.050 16.820 254 HH22 ARG 34 HH22 ARG 34 90.752 -4.499 18.398 255 H VAL 35 HN VAL 35 88.106 -4.802 11.383 256 HA VAL 35 HA VAL 35 85.146 -5.236 11.450 257 HB VAL 35 HB VAL 35 85.230 -5.206 8.931 258 HG11 VAL 35 HG11 VAL 35 85.904 -2.707 10.509 259 HG12 VAL 35 HG12 VAL 35 84.297 -3.304 10.081 260 HG13 VAL 35 HG13 VAL 35 85.365 -2.672 8.828 261 HG21 VAL 35 HG21 VAL 35 87.139 -3.987 7.909 262 HG22 VAL 35 HG22 VAL 35 87.649 -5.499 8.659 263 HG23 VAL 35 HG23 VAL 35 87.945 -3.967 9.475 264 H THR 36 HN THR 36 84.882 -6.934 9.391 265 HA THR 36 HA THR 36 86.880 -9.106 9.670 266 HB THR 36 HB THR 36 84.896 -10.707 9.936 267 HG1 THR 36 HG1 THR 36 83.426 -8.822 11.215 268 HG21 THR 36 HG21 THR 36 84.601 -10.072 12.436 269 HG22 THR 36 HG22 THR 36 85.788 -8.819 12.098 270 HG23 THR 36 HG23 THR 36 86.207 -10.512 11.867 271 H GLY 37 HN GLY 37 86.103 -10.897 8.010 272 HA2 GLY 37 HA2 GLY 37 85.618 -9.496 5.495 273 HA3 GLY 37 HA1 GLY 37 85.981 -11.211 5.676 274 H GLU 38 HN GLU 38 83.480 -9.238 7.171 275 HA GLU 38 HA GLU 38 81.384 -10.579 5.563 276 HB2 GLU 38 HB2 GLU 38 80.080 -11.028 7.684 277 HB3 GLU 38 HB1 GLU 38 81.496 -12.051 7.453 278 HG2 GLU 38 HG2 GLU 38 82.753 -10.905 9.066 279 HG3 GLU 38 HG1 GLU 38 81.709 -9.483 9.012 280 H VAL 39 HN VAL 39 82.701 -7.778 6.697 281 HA VAL 39 HA VAL 39 80.161 -6.451 7.377 282 HB VAL 39 HB VAL 39 81.431 -4.598 8.032 283 HG11 VAL 39 HG11 VAL 39 83.025 -5.507 9.540 284 HG12 VAL 39 HG12 VAL 39 83.351 -6.874 8.473 285 HG13 VAL 39 HG13 VAL 39 81.806 -6.757 9.311 286 HG21 VAL 39 HG21 VAL 39 83.830 -4.288 7.396 287 HG22 VAL 39 HG22 VAL 39 82.761 -4.220 6.009 288 HG23 VAL 39 HG23 VAL 39 83.697 -5.685 6.333 289 H HIS 40 HN HIS 40 79.140 -4.932 6.064 290 HA HIS 40 HA HIS 40 79.765 -5.135 3.200 291 HB2 HIS 40 HB2 HIS 40 77.767 -3.093 4.031 292 HB3 HIS 40 HB1 HIS 40 77.622 -4.400 2.855 293 HD1 HIS 40 HD1 HIS 40 77.515 -3.826 6.610 294 HD2 HIS 40 HD2 HIS 40 76.291 -6.655 3.803 295 HE1 HIS 40 HE1 HIS 40 76.104 -5.514 7.863 296 H ILE 41 HN ILE 41 80.674 -3.469 1.942 297 HA ILE 41 HA ILE 41 82.595 -1.766 3.026 298 HB ILE 41 HB ILE 41 80.908 -1.014 0.629 299 HG12 ILE 41 HG12 ILE 41 83.227 -2.970 0.819 300 HG13 ILE 41 HG11 ILE 41 81.556 -3.352 0.395 301 HG21 ILE 41 HG21 ILE 41 82.807 0.190 -0.101 302 HG22 ILE 41 HG22 ILE 41 83.874 -0.629 1.041 303 HG23 ILE 41 HG23 ILE 41 82.704 0.554 1.622 304 HD11 ILE 41 HD11 ILE 41 82.017 -1.448 -1.453 305 HD12 ILE 41 HD12 ILE 41 82.392 -3.147 -1.730 306 HD13 ILE 41 HD13 ILE 41 83.667 -2.037 -1.238 307 H GLY 42 HN GLY 42 79.340 -0.726 2.000 308 HA2 GLY 42 HA2 GLY 42 79.442 1.879 3.062 309 HA3 GLY 42 HA1 GLY 42 77.950 0.965 2.861 310 H GLY 43 HN GLY 43 79.483 -1.111 4.599 311 HA2 GLY 43 HA2 GLY 43 78.213 -0.365 7.103 312 HA3 GLY 43 HA1 GLY 43 79.256 -1.766 6.843 313 H VAL 44 HN VAL 44 81.386 -0.071 5.704 314 HA VAL 44 HA VAL 44 82.706 0.655 8.224 315 HB VAL 44 HB VAL 44 83.479 0.398 5.321 316 HG11 VAL 44 HG11 VAL 44 84.523 2.508 5.797 317 HG12 VAL 44 HG12 VAL 44 85.782 1.289 5.989 318 HG13 VAL 44 HG13 VAL 44 85.004 1.983 7.411 319 HG21 VAL 44 HG21 VAL 44 84.795 -0.556 7.883 320 HG22 VAL 44 HG22 VAL 44 85.194 -1.063 6.242 321 HG23 VAL 44 HG23 VAL 44 83.635 -1.497 6.945 322 H MET 45 HN MET 45 81.280 2.299 5.414 323 HA MET 45 HA MET 45 82.166 4.943 5.840 324 HB2 MET 45 HB2 MET 45 79.492 3.834 4.957 325 HB3 MET 45 HB1 MET 45 79.768 5.569 5.046 326 HG2 MET 45 HG2 MET 45 81.880 5.033 3.570 327 HG3 MET 45 HG1 MET 45 81.008 3.555 3.185 328 HE1 MET 45 HE1 MET 45 78.246 3.883 3.060 329 HE2 MET 45 HE2 MET 45 78.878 3.486 1.460 330 HE3 MET 45 HE3 MET 45 77.689 4.778 1.644 331 H LEU 46 HN LEU 46 79.680 3.060 7.468 332 HA LEU 46 HA LEU 46 78.699 5.221 9.121 333 HB2 LEU 46 HB2 LEU 46 77.898 2.633 8.529 334 HB3 LEU 46 HB1 LEU 46 78.411 2.470 10.202 335 HG LEU 46 HG LEU 46 76.483 4.614 9.236 336 HD11 LEU 46 HD11 LEU 46 74.667 3.272 9.862 337 HD12 LEU 46 HD12 LEU 46 75.667 2.187 10.828 338 HD13 LEU 46 HD13 LEU 46 75.725 2.110 9.069 339 HD21 LEU 46 HD21 LEU 46 77.495 5.305 11.274 340 HD22 LEU 46 HD22 LEU 46 77.456 3.675 11.943 341 HD23 LEU 46 HD23 LEU 46 75.960 4.588 11.760 342 H LYS 47 HN LYS 47 80.600 2.345 10.112 343 HA LYS 47 HA LYS 47 81.265 3.269 12.671 344 HB2 LYS 47 HB2 LYS 47 83.140 1.678 10.921 345 HB3 LYS 47 HB1 LYS 47 83.041 1.670 12.683 346 HG2 LYS 47 HG2 LYS 47 80.589 0.886 12.326 347 HG3 LYS 47 HG1 LYS 47 81.109 0.511 10.683 348 HD2 LYS 47 HD2 LYS 47 83.102 -0.730 11.904 349 HD3 LYS 47 HD1 LYS 47 82.001 -0.724 13.280 350 HE2 LYS 47 HE2 LYS 47 80.259 -1.679 11.578 351 HE3 LYS 47 HE1 LYS 47 81.681 -2.077 10.610 352 HZ1 LYS 47 HZ1 LYS 47 80.871 -3.824 12.228 353 HZ2 LYS 47 HZ2 LYS 47 81.467 -2.823 13.464 354 HZ3 LYS 47 HZ3 LYS 47 82.522 -3.445 12.287 355 H LEU 48 HN LEU 48 83.392 3.568 9.774 356 HA LEU 48 HA LEU 48 85.460 4.964 10.919 357 HB2 LEU 48 HB2 LEU 48 85.562 4.326 8.589 358 HB3 LEU 48 HB1 LEU 48 84.212 5.378 8.189 359 HG LEU 48 HG LEU 48 85.633 7.362 8.786 360 HD11 LEU 48 HD11 LEU 48 87.182 6.190 10.343 361 HD12 LEU 48 HD12 LEU 48 88.033 7.069 9.084 362 HD13 LEU 48 HD13 LEU 48 87.859 5.322 8.967 363 HD21 LEU 48 HD21 LEU 48 87.268 7.026 6.839 364 HD22 LEU 48 HD22 LEU 48 85.555 6.809 6.472 365 HD23 LEU 48 HD23 LEU 48 86.595 5.402 6.700 366 H VAL 49 HN VAL 49 82.294 6.276 10.106 367 HA VAL 49 HA VAL 49 83.089 9.026 10.752 368 HB VAL 49 HB VAL 49 80.458 7.668 10.153 369 HG11 VAL 49 HG11 VAL 49 79.471 9.991 10.249 370 HG12 VAL 49 HG12 VAL 49 80.919 10.510 11.094 371 HG13 VAL 49 HG13 VAL 49 79.851 9.303 11.813 372 HG21 VAL 49 HG21 VAL 49 82.032 8.254 8.299 373 HG22 VAL 49 HG22 VAL 49 81.929 9.943 8.795 374 HG23 VAL 49 HG23 VAL 49 80.495 9.112 8.193 375 H GLU 50 HN GLU 50 81.203 6.439 12.295 376 HA GLU 50 HA GLU 50 80.213 7.648 14.558 377 HB2 GLU 50 HB2 GLU 50 81.567 4.966 14.245 378 HB3 GLU 50 HB1 GLU 50 80.788 5.448 15.744 379 HG2 GLU 50 HG2 GLU 50 79.386 5.482 13.051 380 HG3 GLU 50 HG1 GLU 50 79.312 4.121 14.172 381 H LYS 51 HN LYS 51 83.568 6.838 13.922 382 HA LYS 51 HA LYS 51 84.444 7.589 16.603 383 HB2 LYS 51 HB2 LYS 51 86.157 7.179 14.177 384 HB3 LYS 51 HB1 LYS 51 86.600 6.961 15.873 385 HG2 LYS 51 HG2 LYS 51 84.656 5.219 15.920 386 HG3 LYS 51 HG1 LYS 51 84.810 5.258 14.171 387 HD2 LYS 51 HD2 LYS 51 87.090 4.675 16.061 388 HD3 LYS 51 HD1 LYS 51 86.135 3.448 15.247 389 HE2 LYS 51 HE2 LYS 51 86.817 4.330 13.068 390 HE3 LYS 51 HE1 LYS 51 87.722 5.608 13.858 391 HZ1 LYS 51 HZ1 LYS 51 89.143 3.750 13.213 392 HZ2 LYS 51 HZ2 LYS 51 88.236 2.711 14.205 393 HZ3 LYS 51 HZ3 LYS 51 89.134 3.979 14.894 394 H LEU 52 HN LEU 52 84.548 9.024 13.338 395 HA LEU 52 HA LEU 52 86.190 11.220 13.818 396 HB2 LEU 52 HB2 LEU 52 84.914 10.432 11.658 397 HB3 LEU 52 HB1 LEU 52 83.649 11.514 12.228 398 HG LEU 52 HG LEU 52 85.456 13.301 12.424 399 HD11 LEU 52 HD11 LEU 52 87.530 12.272 12.301 400 HD12 LEU 52 HD12 LEU 52 87.338 12.784 10.631 401 HD13 LEU 52 HD13 LEU 52 87.008 11.113 11.081 402 HD21 LEU 52 HD21 LEU 52 85.219 13.944 10.107 403 HD22 LEU 52 HD22 LEU 52 83.738 13.103 10.560 404 HD23 LEU 52 HD23 LEU 52 84.971 12.269 9.616 405 H ASP 53 HN ASP 53 82.663 11.225 14.025 406 HA ASP 53 HA ASP 53 81.193 12.321 15.447 407 HB2 ASP 53 HB2 ASP 53 82.998 11.473 17.089 408 HB3 ASP 53 HB1 ASP 53 83.523 13.145 17.149 409 H VAL 54 HN VAL 54 81.022 13.792 13.659 410 HA VAL 54 HA VAL 54 81.294 16.530 14.461 411 HB VAL 54 HB VAL 54 83.626 16.236 13.948 412 HG11 VAL 54 HG11 VAL 54 82.708 15.139 11.284 413 HG12 VAL 54 HG12 VAL 54 83.335 14.173 12.622 414 HG13 VAL 54 HG13 VAL 54 84.380 15.340 11.809 415 HG21 VAL 54 HG21 VAL 54 83.924 17.901 12.230 416 HG22 VAL 54 HG22 VAL 54 82.432 18.305 13.078 417 HG23 VAL 54 HG23 VAL 54 82.364 17.513 11.505 418 H LYS 55 HN LYS 55 79.947 17.835 13.174 419 HA LYS 55 HA LYS 55 78.200 16.400 11.393 420 HB2 LYS 55 HB2 LYS 55 77.368 18.299 12.689 421 HB3 LYS 55 HB1 LYS 55 78.424 19.374 11.777 422 HG2 LYS 55 HG2 LYS 55 77.057 19.374 9.942 423 HG3 LYS 55 HG1 LYS 55 76.769 17.650 10.027 424 HD2 LYS 55 HD2 LYS 55 74.922 17.881 11.440 425 HD3 LYS 55 HD1 LYS 55 75.455 19.417 12.048 426 HE2 LYS 55 HE2 LYS 55 74.894 20.528 9.970 427 HE3 LYS 55 HE1 LYS 55 74.529 18.980 9.210 428 HZ1 LYS 55 HZ1 LYS 55 72.545 18.845 10.228 429 HZ2 LYS 55 HZ2 LYS 55 72.695 20.533 10.346 430 HZ3 LYS 55 HZ3 LYS 55 73.098 19.547 11.669 431 H LYS 56 HN LYS 56 80.879 16.146 10.537 432 HA LYS 56 HA LYS 56 81.297 17.970 8.287 433 HB2 LYS 56 HB2 LYS 56 83.212 16.884 9.424 434 HB3 LYS 56 HB1 LYS 56 82.615 15.304 8.929 435 HG2 LYS 56 HG2 LYS 56 82.855 15.955 6.558 436 HG3 LYS 56 HG1 LYS 56 83.443 17.541 7.049 437 HD2 LYS 56 HD2 LYS 56 84.818 15.047 8.050 438 HD3 LYS 56 HD1 LYS 56 85.173 15.657 6.437 439 HE2 LYS 56 HE2 LYS 56 85.488 17.184 9.041 440 HE3 LYS 56 HE1 LYS 56 86.787 16.579 8.017 441 HZ1 LYS 56 HZ1 LYS 56 84.938 18.813 7.541 442 HZ2 LYS 56 HZ2 LYS 56 85.597 17.982 6.214 443 HZ3 LYS 56 HZ3 LYS 56 86.619 18.746 7.335 444 H ASP 57 HN ASP 57 81.129 17.282 6.048 445 HA ASP 57 HA ASP 57 78.832 15.518 5.601 446 HB2 ASP 57 HB2 ASP 57 79.511 16.184 3.105 447 HB3 ASP 57 HB1 ASP 57 78.677 17.322 4.157 448 H TRP 58 HN TRP 58 79.643 13.508 6.134 449 HA TRP 58 HA TRP 58 82.091 12.483 4.916 450 HB2 TRP 58 HB2 TRP 58 80.063 10.635 6.077 451 HB3 TRP 58 HB1 TRP 58 81.793 10.661 6.301 452 HD1 TRP 58 HD1 TRP 58 82.551 13.042 7.853 453 HE1 TRP 58 HE1 TRP 58 81.445 13.707 10.104 454 HE3 TRP 58 HE3 TRP 58 78.129 10.545 7.422 455 HZ2 TRP 58 HZ2 TRP 58 78.991 13.228 11.511 456 HZ3 TRP 58 HZ3 TRP 58 76.429 10.657 9.221 457 HH2 TRP 58 HH2 TRP 58 76.857 11.982 11.263 458 H SER 59 HN SER 59 78.635 11.983 4.578 459 HA SER 59 HA SER 59 78.339 9.930 2.822 460 HB2 SER 59 HB2 SER 59 76.429 11.202 1.845 461 HB3 SER 59 HB1 SER 59 76.474 11.251 3.604 462 HG SER 59 HG SER 59 76.504 13.331 3.366 463 H ASP 60 HN ASP 60 78.961 13.273 1.693 464 HA ASP 60 HA ASP 60 79.223 12.708 -1.043 465 HB2 ASP 60 HB2 ASP 60 79.211 14.988 -0.269 466 HB3 ASP 60 HB1 ASP 60 80.658 14.720 0.704 467 H HIS 61 HN HIS 61 81.103 11.485 1.467 468 HA HIS 61 HA HIS 61 83.530 11.140 -0.198 469 HB2 HIS 61 HB2 HIS 61 84.700 10.988 1.769 470 HB3 HIS 61 HB1 HIS 61 83.285 11.759 2.451 471 HD1 HIS 61 HD1 HIS 61 82.057 10.457 4.245 472 HD2 HIS 61 HD2 HIS 61 84.723 8.048 2.136 473 HE1 HIS 61 HE1 HIS 61 82.090 8.221 5.425 474 H ALA 62 HN ALA 62 84.591 8.963 0.121 475 HA ALA 62 HA ALA 62 82.981 6.618 0.540 476 HB1 ALA 62 HB1 ALA 62 82.658 5.839 -1.664 477 HB2 ALA 62 HB2 ALA 62 83.812 6.992 -2.341 478 HB3 ALA 62 HB3 ALA 62 82.235 7.547 -1.778 479 H LEU 63 HN LEU 63 84.360 4.645 0.101 480 HA LEU 63 HA LEU 63 87.217 5.360 0.545 481 HB2 LEU 63 HB2 LEU 63 85.888 2.638 0.706 482 HB3 LEU 63 HB1 LEU 63 87.495 3.058 1.273 483 HG LEU 63 HG LEU 63 86.034 2.995 3.172 484 HD11 LEU 63 HD11 LEU 63 86.277 5.939 2.601 485 HD12 LEU 63 HD12 LEU 63 87.708 4.940 2.854 486 HD13 LEU 63 HD13 LEU 63 86.501 5.089 4.128 487 HD21 LEU 63 HD21 LEU 63 83.963 3.610 1.548 488 HD22 LEU 63 HD22 LEU 63 84.251 5.208 2.236 489 HD23 LEU 63 HD23 LEU 63 83.899 3.845 3.291 490 H TRP 64 HN TRP 64 88.873 4.613 -0.776 491 HA TRP 64 HA TRP 64 88.071 3.295 -3.364 492 HB2 TRP 64 HB2 TRP 64 88.722 5.161 -4.499 493 HB3 TRP 64 HB1 TRP 64 88.932 5.974 -2.973 494 HD1 TRP 64 HD1 TRP 64 91.560 4.970 -1.846 495 HE1 TRP 64 HE1 TRP 64 93.791 5.270 -3.085 496 HE3 TRP 64 HE3 TRP 64 89.845 5.685 -6.604 497 HZ2 TRP 64 HZ2 TRP 64 94.737 5.785 -5.732 498 HZ3 TRP 64 HZ3 TRP 64 91.434 6.101 -8.460 499 HH2 TRP 64 HH2 TRP 64 93.876 6.153 -8.031 500 H TRP 65 HN TRP 65 89.644 1.855 -4.229 501 HA TRP 65 HA TRP 65 91.684 0.955 -2.236 502 HB2 TRP 65 HB2 TRP 65 89.816 -0.597 -3.134 503 HB3 TRP 65 HB1 TRP 65 90.725 -0.606 -4.639 504 HD1 TRP 65 HD1 TRP 65 93.431 -0.396 -2.364 505 HE1 TRP 65 HE1 TRP 65 94.340 -2.700 -1.678 506 HE3 TRP 65 HE3 TRP 65 89.520 -3.354 -3.796 507 HZ2 TRP 65 HZ2 TRP 65 93.518 -5.435 -1.705 508 HZ3 TRP 65 HZ3 TRP 65 89.621 -5.802 -3.459 509 HH2 TRP 65 HH2 TRP 65 91.607 -6.849 -2.417 510 H GLU 66 HN GLU 66 93.376 2.437 -2.880 511 HA GLU 66 HA GLU 66 94.097 3.017 -5.537 512 HB2 GLU 66 HB2 GLU 66 96.402 3.473 -4.618 513 HB3 GLU 66 HB1 GLU 66 95.083 4.314 -3.824 514 HG2 GLU 66 HG2 GLU 66 95.043 2.463 -2.111 515 HG3 GLU 66 HG1 GLU 66 96.505 1.850 -2.867 516 H LYS 67 HN LYS 67 94.624 0.031 -3.795 517 HA LYS 67 HA LYS 67 96.833 -0.890 -5.402 518 HB2 LYS 67 HB2 LYS 67 94.637 -2.441 -4.045 519 HB3 LYS 67 HB1 LYS 67 95.985 -3.185 -4.864 520 HG2 LYS 67 HG2 LYS 67 96.057 -2.767 -2.251 521 HG3 LYS 67 HG1 LYS 67 97.494 -2.632 -3.217 522 HD2 LYS 67 HD2 LYS 67 97.289 -0.218 -3.269 523 HD3 LYS 67 HD1 LYS 67 95.745 -0.302 -2.416 524 HE2 LYS 67 HE2 LYS 67 97.710 0.244 -0.940 525 HE3 LYS 67 HE1 LYS 67 96.804 -1.186 -0.444 526 HZ1 LYS 67 HZ1 LYS 67 98.426 -2.576 -1.539 527 HZ2 LYS 67 HZ2 LYS 67 99.204 -1.560 -0.421 528 HZ3 LYS 67 HZ3 LYS 67 99.281 -1.216 -2.083 529 H LYS 68 HN LYS 68 93.545 -0.272 -5.857 530 HA LYS 68 HA LYS 68 93.481 -1.620 -8.525 531 HB2 LYS 68 HB2 LYS 68 90.964 -1.070 -6.972 532 HB3 LYS 68 HB1 LYS 68 91.282 -2.322 -8.168 533 HG2 LYS 68 HG2 LYS 68 92.633 -2.328 -5.451 534 HG3 LYS 68 HG1 LYS 68 91.067 -3.060 -5.725 535 HD2 LYS 68 HD2 LYS 68 91.934 -4.605 -7.320 536 HD3 LYS 68 HD1 LYS 68 93.465 -3.737 -7.427 537 HE2 LYS 68 HE2 LYS 68 94.224 -4.559 -5.388 538 HE3 LYS 68 HE1 LYS 68 92.603 -4.800 -4.750 539 HZ1 LYS 68 HZ1 LYS 68 92.313 -6.639 -6.285 540 HZ2 LYS 68 HZ2 LYS 68 93.666 -6.897 -5.289 541 HZ3 LYS 68 HZ3 LYS 68 93.875 -6.403 -6.901 542 H ARG 69 HN ARG 69 93.253 1.305 -6.780 543 HA ARG 69 HA ARG 69 92.563 3.459 -7.388 544 HB2 ARG 69 HB2 ARG 69 93.134 2.272 -10.128 545 HB3 ARG 69 HB1 ARG 69 92.675 3.949 -9.890 546 HG2 ARG 69 HG2 ARG 69 94.997 4.134 -9.879 547 HG3 ARG 69 HG1 ARG 69 94.677 3.955 -8.156 548 HD2 ARG 69 HD2 ARG 69 96.471 2.443 -8.748 549 HD3 ARG 69 HD1 ARG 69 95.029 1.487 -8.425 550 HE ARG 69 HE ARG 69 94.994 0.850 -10.698 551 HH11 ARG 69 HH11 ARG 69 95.849 0.846 -12.788 552 HH12 ARG 69 HH12 ARG 69 97.030 2.034 -13.229 553 HH21 ARG 69 HH21 ARG 69 97.040 3.562 -10.116 554 HH22 ARG 69 HH22 ARG 69 97.704 3.572 -11.715 555 H THR 70 HN THR 70 90.553 1.734 -6.717 556 HA THR 70 HA THR 70 88.409 2.184 -8.775 557 HB THR 70 HB THR 70 89.048 -0.178 -7.976 558 HG1 THR 70 HG1 THR 70 86.611 1.010 -8.272 559 HG21 THR 70 HG21 THR 70 88.485 -0.918 -5.852 560 HG22 THR 70 HG22 THR 70 87.305 0.371 -5.611 561 HG23 THR 70 HG23 THR 70 89.028 0.723 -5.502 562 H TRP 71 HN TRP 71 86.211 1.959 -7.322 563 HA TRP 71 HA TRP 71 86.399 3.888 -5.060 564 HB2 TRP 71 HB2 TRP 71 84.059 4.663 -5.897 565 HB3 TRP 71 HB1 TRP 71 85.488 5.311 -6.679 566 HD1 TRP 71 HD1 TRP 71 84.587 1.754 -7.630 567 HE1 TRP 71 HE1 TRP 71 83.599 1.742 -9.969 568 HE3 TRP 71 HE3 TRP 71 84.048 6.774 -8.396 569 HZ2 TRP 71 HZ2 TRP 71 82.706 3.589 -11.964 570 HZ3 TRP 71 HZ3 TRP 71 83.127 7.618 -10.536 571 HH2 TRP 71 HH2 TRP 71 82.455 6.033 -12.321 572 H LEU 72 HN LEU 72 86.135 2.393 -3.497 573 HA LEU 72 HA LEU 72 84.590 0.043 -3.694 574 HB2 LEU 72 HB2 LEU 72 85.291 1.633 -1.233 575 HB3 LEU 72 HB1 LEU 72 84.817 -0.056 -1.251 576 HG LEU 72 HG LEU 72 87.159 0.994 -2.835 577 HD11 LEU 72 HD11 LEU 72 87.532 1.461 -0.456 578 HD12 LEU 72 HD12 LEU 72 88.616 0.198 -1.041 579 HD13 LEU 72 HD13 LEU 72 87.201 -0.231 -0.077 580 HD21 LEU 72 HD21 LEU 72 86.700 -1.099 -3.719 581 HD22 LEU 72 HD22 LEU 72 86.061 -1.727 -2.197 582 HD23 LEU 72 HD23 LEU 72 87.801 -1.550 -2.415 583 H LEU 73 HN LEU 73 82.681 0.770 -4.692 584 HA LEU 73 HA LEU 73 80.646 1.923 -2.816 585 HB2 LEU 73 HB2 LEU 73 79.408 2.645 -4.873 586 HB3 LEU 73 HB1 LEU 73 80.959 3.451 -4.676 587 HG LEU 73 HG LEU 73 81.757 1.325 -6.201 588 HD11 LEU 73 HD11 LEU 73 80.160 0.699 -7.830 589 HD12 LEU 73 HD12 LEU 73 79.066 2.015 -7.401 590 HD13 LEU 73 HD13 LEU 73 79.248 0.638 -6.323 591 HD21 LEU 73 HD21 LEU 73 80.483 3.828 -7.351 592 HD22 LEU 73 HD22 LEU 73 81.725 2.835 -8.110 593 HD23 LEU 73 HD23 LEU 73 82.100 3.762 -6.663 594 H LYS 74 HN LYS 74 81.767 -0.864 -3.967 595 HA LYS 74 HA LYS 74 79.279 -2.097 -4.886 596 HB2 LYS 74 HB2 LYS 74 82.104 -3.010 -4.413 597 HB3 LYS 74 HB1 LYS 74 80.842 -4.233 -4.441 598 HG2 LYS 74 HG2 LYS 74 81.806 -3.941 -6.683 599 HG3 LYS 74 HG1 LYS 74 80.115 -3.458 -6.662 600 HD2 LYS 74 HD2 LYS 74 81.460 -1.823 -7.906 601 HD3 LYS 74 HD1 LYS 74 80.792 -1.092 -6.452 602 HE2 LYS 74 HE2 LYS 74 83.322 -0.712 -7.032 603 HE3 LYS 74 HE1 LYS 74 82.861 -1.040 -5.366 604 HZ1 LYS 74 HZ1 LYS 74 83.698 -3.143 -7.280 605 HZ2 LYS 74 HZ2 LYS 74 83.474 -3.304 -5.603 606 HZ3 LYS 74 HZ3 LYS 74 84.764 -2.377 -6.206 607 H THR 75 HN THR 75 78.557 -0.998 -2.574 608 HA THR 75 HA THR 75 79.041 -2.226 -0.118 609 HB THR 75 HB THR 75 76.258 -1.500 -1.064 610 HG1 THR 75 HG1 THR 75 77.693 0.155 -1.607 611 HG21 THR 75 HG21 THR 75 76.809 -2.556 1.265 612 HG22 THR 75 HG22 THR 75 75.777 -1.127 1.200 613 HG23 THR 75 HG23 THR 75 77.478 -0.964 1.633 614 H HIS 76 HN HIS 76 77.390 -3.508 -2.894 615 HA HIS 76 HA HIS 76 75.898 -5.590 -1.649 616 HB2 HIS 76 HB2 HIS 76 77.200 -5.418 -4.380 617 HB3 HIS 76 HB1 HIS 76 76.134 -6.736 -3.894 618 HD1 HIS 76 HD1 HIS 76 75.257 -3.439 -2.495 619 HD2 HIS 76 HD2 HIS 76 74.259 -5.661 -5.878 620 HE1 HIS 76 HE1 HIS 76 73.189 -2.358 -3.477 621 H TRP 77 HN TRP 77 76.466 -7.880 -1.553 622 HA TRP 77 HA TRP 77 77.822 -9.634 -0.868 623 HB2 TRP 77 HB2 TRP 77 79.952 -8.238 -2.453 624 HB3 TRP 77 HB1 TRP 77 79.847 -9.957 -2.088 625 HD1 TRP 77 HD1 TRP 77 78.812 -7.358 -4.519 626 HE1 TRP 77 HE1 TRP 77 77.325 -8.381 -6.332 627 HE3 TRP 77 HE3 TRP 77 77.895 -11.937 -2.447 628 HZ2 TRP 77 HZ2 TRP 77 75.915 -10.813 -6.865 629 HZ3 TRP 77 HZ3 TRP 77 76.474 -13.587 -3.634 630 HH2 TRP 77 HH2 TRP 77 75.484 -13.031 -5.839 631 H THR 78 HN THR 78 80.881 -9.052 -0.760 632 HA THR 78 HA THR 78 80.983 -7.164 1.510 633 HB THR 78 HB THR 78 82.127 -9.678 2.480 634 HG1 THR 78 HG1 THR 78 79.362 -9.857 2.249 635 HG21 THR 78 HG21 THR 78 80.161 -9.243 4.204 636 HG22 THR 78 HG22 THR 78 80.095 -7.665 3.439 637 HG23 THR 78 HG23 THR 78 81.592 -8.218 4.200 638 H LEU 79 HN LEU 79 83.326 -8.028 2.666 639 HA LEU 79 HA LEU 79 85.334 -7.022 0.822 640 HB2 LEU 79 HB2 LEU 79 85.486 -8.347 3.533 641 HB3 LEU 79 HB1 LEU 79 86.901 -7.761 2.684 642 HG LEU 79 HG LEU 79 86.092 -5.476 2.778 643 HD11 LEU 79 HD11 LEU 79 83.604 -6.772 3.883 644 HD12 LEU 79 HD12 LEU 79 83.736 -5.701 2.484 645 HD13 LEU 79 HD13 LEU 79 83.942 -5.058 4.111 646 HD21 LEU 79 HD21 LEU 79 85.948 -7.047 5.371 647 HD22 LEU 79 HD22 LEU 79 85.787 -5.287 5.347 648 HD23 LEU 79 HD23 LEU 79 87.268 -6.043 4.764 649 H ASP 80 HN ASP 80 84.847 -10.042 2.558 650 HA ASP 80 HA ASP 80 86.746 -11.729 1.526 651 HB2 ASP 80 HB2 ASP 80 84.973 -12.285 3.179 652 HB3 ASP 80 HB1 ASP 80 83.825 -12.413 1.848 653 H LYS 81 HN LYS 81 83.572 -11.117 0.016 654 HA LYS 81 HA LYS 81 83.989 -12.825 -2.158 655 HB2 LYS 81 HB2 LYS 81 81.825 -12.249 -2.429 656 HB3 LYS 81 HB1 LYS 81 82.040 -10.874 -1.364 657 HG2 LYS 81 HG2 LYS 81 82.930 -10.713 -4.239 658 HG3 LYS 81 HG1 LYS 81 81.251 -10.485 -3.832 659 HD2 LYS 81 HD2 LYS 81 82.051 -8.767 -2.136 660 HD3 LYS 81 HD1 LYS 81 83.603 -8.856 -2.902 661 HE2 LYS 81 HE2 LYS 81 82.720 -8.129 -5.012 662 HE3 LYS 81 HE1 LYS 81 81.069 -8.250 -4.412 663 HZ1 LYS 81 HZ1 LYS 81 83.037 -6.497 -3.092 664 HZ2 LYS 81 HZ2 LYS 81 81.341 -6.421 -3.041 665 HZ3 LYS 81 HZ3 LYS 81 82.172 -5.964 -4.450 666 H TYR 82 HN TYR 82 85.162 -9.628 -1.556 667 HA TYR 82 HA TYR 82 86.171 -9.294 -4.293 668 HB2 TYR 82 HB2 TYR 82 85.469 -7.518 -2.388 669 HB3 TYR 82 HB1 TYR 82 87.181 -7.624 -2.019 670 HD1 TYR 82 HD1 TYR 82 88.454 -7.942 -4.646 671 HD2 TYR 82 HD2 TYR 82 85.108 -5.496 -3.512 672 HE1 TYR 82 HE1 TYR 82 88.942 -6.406 -6.522 673 HE2 TYR 82 HE2 TYR 82 85.601 -3.959 -5.392 674 HH TYR 82 HH TYR 82 86.776 -3.734 -7.320 675 H GLY 83 HN GLY 83 87.575 -9.829 -1.061 676 HA2 GLY 83 HA2 GLY 83 89.371 -11.588 -0.902 677 HA3 GLY 83 HA1 GLY 83 90.049 -10.927 -2.391 678 H ILE 84 HN ILE 84 88.743 -8.494 -0.518 679 HA ILE 84 HA ILE 84 91.221 -7.176 -0.030 680 HB ILE 84 HB ILE 84 88.491 -6.868 1.260 681 HG12 ILE 84 HG12 ILE 84 89.715 -4.929 -0.692 682 HG13 ILE 84 HG11 ILE 84 89.012 -6.424 -1.305 683 HG21 ILE 84 HG21 ILE 84 90.938 -5.115 1.392 684 HG22 ILE 84 HG22 ILE 84 90.120 -5.896 2.737 685 HG23 ILE 84 HG23 ILE 84 89.329 -4.586 1.873 686 HD11 ILE 84 HD11 ILE 84 87.475 -4.338 -1.114 687 HD12 ILE 84 HD12 ILE 84 87.484 -4.673 0.617 688 HD13 ILE 84 HD13 ILE 84 86.858 -5.874 -0.510 689 H GLN 85 HN GLN 85 92.161 -6.737 2.184 690 HA GLN 85 HA GLN 85 91.437 -8.638 4.296 691 HB2 GLN 85 HB2 GLN 85 93.204 -9.654 2.528 692 HB3 GLN 85 HB1 GLN 85 94.326 -8.819 3.593 693 HG2 GLN 85 HG2 GLN 85 94.192 -10.847 4.736 694 HG3 GLN 85 HG1 GLN 85 92.832 -10.016 5.509 695 HE21 GLN 85 HE21 GLN 85 90.890 -10.146 3.535 696 HE22 GLN 85 HE22 GLN 85 90.486 -11.757 3.225 697 H ALA 86 HN ALA 86 93.788 -8.405 5.816 698 HA ALA 86 HA ALA 86 93.515 -5.735 6.917 699 HB1 ALA 86 HB1 ALA 86 94.902 -6.537 8.632 700 HB2 ALA 86 HB2 ALA 86 95.758 -7.640 7.544 701 HB3 ALA 86 HB3 ALA 86 94.112 -8.005 8.054 702 H ASP 87 HN ASP 87 95.667 -7.225 4.645 703 HA ASP 87 HA ASP 87 97.738 -5.167 4.927 704 HB2 ASP 87 HB2 ASP 87 98.415 -7.390 4.381 705 HB3 ASP 87 HB1 ASP 87 97.303 -7.472 3.030 706 H ALA 88 HN ALA 88 94.748 -5.103 3.669 707 HA ALA 88 HA ALA 88 95.409 -3.661 1.160 708 HB1 ALA 88 HB1 ALA 88 93.411 -5.349 1.675 709 HB2 ALA 88 HB2 ALA 88 93.169 -3.978 0.587 710 HB3 ALA 88 HB3 ALA 88 92.626 -3.882 2.264 711 H LYS 89 HN LYS 89 95.984 -1.515 1.442 712 HA LYS 89 HA LYS 89 94.734 0.019 3.676 713 HB2 LYS 89 HB2 LYS 89 96.855 1.130 1.854 714 HB3 LYS 89 HB1 LYS 89 96.508 1.533 3.533 715 HG2 LYS 89 HG2 LYS 89 97.627 -1.131 2.613 716 HG3 LYS 89 HG1 LYS 89 98.585 0.194 3.238 717 HD2 LYS 89 HD2 LYS 89 97.644 0.032 5.404 718 HD3 LYS 89 HD1 LYS 89 96.308 -0.963 4.836 719 HE2 LYS 89 HE2 LYS 89 97.965 -2.347 5.997 720 HE3 LYS 89 HE1 LYS 89 97.863 -2.773 4.288 721 HZ1 LYS 89 HZ1 LYS 89 99.925 -1.084 5.592 722 HZ2 LYS 89 HZ2 LYS 89 99.778 -1.267 3.910 723 HZ3 LYS 89 HZ3 LYS 89 100.150 -2.608 4.884 724 H LEU 90 HN LEU 90 93.005 1.108 3.269 725 HA LEU 90 HA LEU 90 92.437 2.082 0.505 726 HB2 LEU 90 HB2 LEU 90 90.361 2.211 2.664 727 HB3 LEU 90 HB1 LEU 90 90.169 1.892 0.944 728 HG LEU 90 HG LEU 90 91.385 -0.015 2.944 729 HD11 LEU 90 HD11 LEU 90 89.251 -1.323 2.364 730 HD12 LEU 90 HD12 LEU 90 88.640 0.197 1.713 731 HD13 LEU 90 HD13 LEU 90 89.063 0.077 3.420 732 HD21 LEU 90 HD21 LEU 90 92.277 -0.294 0.665 733 HD22 LEU 90 HD22 LEU 90 90.638 -0.334 0.018 734 HD23 LEU 90 HD23 LEU 90 91.208 -1.638 1.064 735 H GLN 91 HN GLN 91 91.004 4.183 0.699 736 HA GLN 91 HA GLN 91 92.245 6.072 2.655 737 HB2 GLN 91 HB2 GLN 91 91.625 6.758 -0.227 738 HB3 GLN 91 HB1 GLN 91 92.503 7.742 0.936 739 HG2 GLN 91 HG2 GLN 91 94.454 6.473 0.741 740 HG3 GLN 91 HG1 GLN 91 93.603 5.033 0.226 741 HE21 GLN 91 HE21 GLN 91 92.519 7.850 -1.342 742 HE22 GLN 91 HE22 GLN 91 93.333 7.612 -2.806 743 H PHE 92 HN PHE 92 90.860 7.944 3.047 744 HA PHE 92 HA PHE 92 87.980 7.518 2.304 745 HB2 PHE 92 HB2 PHE 92 87.856 7.034 4.570 746 HB3 PHE 92 HB1 PHE 92 89.303 7.942 4.943 747 HD1 PHE 92 HD1 PHE 92 86.363 9.421 3.119 748 HD2 PHE 92 HD2 PHE 92 88.448 9.045 6.864 749 HE1 PHE 92 HE1 PHE 92 85.032 11.282 4.075 750 HE2 PHE 92 HE2 PHE 92 87.097 10.892 7.800 751 HZ PHE 92 HZ PHE 92 85.388 12.009 6.402 752 H THR 93 HN THR 93 88.090 8.933 0.604 753 HA THR 93 HA THR 93 88.900 11.764 1.204 754 HB THR 93 HB THR 93 90.252 11.013 -0.570 755 HG1 THR 93 HG1 THR 93 89.556 12.786 -1.483 756 HG21 THR 93 HG21 THR 93 89.304 9.723 -2.497 757 HG22 THR 93 HG22 THR 93 87.768 9.652 -1.635 758 HG23 THR 93 HG23 THR 93 89.196 8.868 -0.959 759 HA PRO 94 HA PRO 94 84.649 12.987 0.620 760 HB2 PRO 94 HB2 PRO 94 84.976 15.560 -0.283 761 HB3 PRO 94 HB1 PRO 94 85.242 15.082 1.407 762 HG2 PRO 94 HG2 PRO 94 87.244 15.484 -0.777 763 HG3 PRO 94 HG1 PRO 94 87.311 15.998 0.920 764 HD2 PRO 94 HD2 PRO 94 88.632 13.792 0.039 765 HD3 PRO 94 HD1 PRO 94 87.947 13.886 1.676 766 H TYR 541 HT1 TYR 541 45.477 38.331 15.163 767 HA TYR 541 HA TYR 541 45.837 40.389 13.774 768 HB2 TYR 541 HB2 TYR 541 45.412 41.559 16.340 769 HB3 TYR 541 HB1 TYR 541 47.112 41.829 15.976 770 HD1 TYR 541 HD1 TYR 541 47.760 43.027 13.864 771 HD2 TYR 541 HD2 TYR 541 43.674 42.697 15.149 772 HE1 TYR 541 HE1 TYR 541 47.128 44.869 12.329 773 HE2 TYR 541 HE2 TYR 541 43.043 44.540 13.614 774 HH TYR 541 HH TYR 541 43.743 45.810 11.884 775 H HIS 542 HN HIS 542 46.969 37.910 15.426 776 HA HIS 542 HA HIS 542 49.748 38.382 15.810 777 HB2 HIS 542 HB2 HIS 542 48.336 35.815 15.022 778 HB3 HIS 542 HB1 HIS 542 49.949 35.935 15.714 779 HD1 HIS 542 HD1 HIS 542 46.326 36.199 16.600 780 HD2 HIS 542 HD2 HIS 542 50.018 36.611 18.493 781 HE1 HIS 542 HE1 HIS 542 45.851 36.284 19.086 782 H GLU 543 HN GLU 543 50.454 36.003 13.985 783 HA GLU 543 HA GLU 543 50.129 36.880 11.270 784 HB2 GLU 543 HB2 GLU 543 52.515 37.608 10.905 785 HB3 GLU 543 HB1 GLU 543 51.562 38.731 11.874 786 HG2 GLU 543 HG2 GLU 543 52.508 37.814 13.932 787 HG3 GLU 543 HG1 GLU 543 53.399 36.602 13.010 788 H ARG 544 HN ARG 544 51.780 34.966 13.664 789 HA ARG 544 HA ARG 544 53.031 32.983 13.495 790 HB2 ARG 544 HB2 ARG 544 50.609 32.681 11.742 791 HB3 ARG 544 HB1 ARG 544 51.698 31.329 12.032 792 HG2 ARG 544 HG2 ARG 544 49.899 31.236 13.667 793 HG3 ARG 544 HG1 ARG 544 51.389 31.670 14.490 794 HD2 ARG 544 HD2 ARG 544 50.747 33.889 14.790 795 HD3 ARG 544 HD1 ARG 544 49.612 33.865 13.450 796 HE ARG 544 HE ARG 544 49.052 33.293 16.226 797 HH11 ARG 544 HH11 ARG 544 47.206 32.214 16.884 798 HH12 ARG 544 HH12 ARG 544 46.254 31.357 15.719 799 HH21 ARG 544 HH21 ARG 544 48.301 32.171 13.046 800 HH22 ARG 544 HH22 ARG 544 46.873 31.332 13.552 801 H ARG 545 HN ARG 545 54.967 33.770 12.486 802 HA ARG 545 HA ARG 545 55.310 34.252 9.723 803 HB2 ARG 545 HB2 ARG 545 57.323 33.147 11.697 804 HB3 ARG 545 HB1 ARG 545 57.694 33.956 10.181 805 HG2 ARG 545 HG2 ARG 545 57.140 36.061 10.990 806 HG3 ARG 545 HG1 ARG 545 55.948 35.427 12.120 807 HD2 ARG 545 HD2 ARG 545 58.091 36.357 13.153 808 HD3 ARG 545 HD1 ARG 545 57.608 34.736 13.661 809 HE ARG 545 HE ARG 545 59.297 34.263 11.525 810 HH11 ARG 545 HH11 ARG 545 61.530 33.999 11.765 811 HH12 ARG 545 HH12 ARG 545 62.332 34.715 13.123 812 HH21 ARG 545 HH21 ARG 545 59.438 36.095 14.443 813 HH22 ARG 545 HH22 ARG 545 61.148 35.901 14.638 814 H GLY 546 HN GLY 546 56.825 31.461 11.291 815 HA2 GLY 546 HA2 GLY 546 55.990 29.770 8.943 816 HA3 GLY 546 HA1 GLY 546 57.572 29.647 9.705 817 H SER 547 HN SER 547 57.750 28.579 11.734 818 HA SER 547 HA SER 547 55.481 27.607 13.225 819 HB2 SER 547 HB2 SER 547 56.614 25.941 11.013 820 HB3 SER 547 HB1 SER 547 56.172 25.115 12.504 821 HG SER 547 HG SER 547 54.532 26.756 10.862 822 H LEU 548 HN LEU 548 56.417 27.414 15.262 823 HA LEU 548 HA LEU 548 59.221 27.479 15.621 824 HB2 LEU 548 HB2 LEU 548 56.860 27.103 17.364 825 HB3 LEU 548 HB1 LEU 548 58.338 26.383 17.996 826 HG LEU 548 HG LEU 548 59.482 28.617 17.560 827 HD11 LEU 548 HD11 LEU 548 58.077 29.702 16.011 828 HD12 LEU 548 HD12 LEU 548 57.776 30.559 17.516 829 HD13 LEU 548 HD13 LEU 548 56.624 29.357 16.940 830 HD21 LEU 548 HD21 LEU 548 58.536 27.828 19.790 831 HD22 LEU 548 HD22 LEU 548 57.137 28.843 19.440 832 HD23 LEU 548 HD23 LEU 548 58.738 29.569 19.600 833 H CYS 549 HN CYS 549 60.776 25.947 15.801 834 HA CYS 549 HA CYS 549 60.051 23.190 15.054 835 HB2 CYS 549 HB2 CYS 549 62.042 23.880 14.014 836 HB3 CYS 549 HB1 CYS 549 62.553 24.817 15.398 837 H SER 550 HN SER 550 59.075 22.226 16.763 838 HA SER 550 HA SER 550 59.346 22.815 19.462 839 HB2 SER 550 HB2 SER 550 57.537 21.457 18.830 840 HB3 SER 550 HB1 SER 550 58.582 20.224 18.129 841 HG SER 550 HG SER 550 58.310 20.945 20.862 842 H GLY 551 HN GLY 551 60.787 22.536 20.939 843 HA2 GLY 551 HA2 GLY 551 62.514 21.273 22.123 844 HA3 GLY 551 HA1 GLY 551 62.947 20.504 20.590 845 H CYS 552 HN CYS 552 62.542 23.070 19.203 846 HA CYS 552 HA CYS 552 65.134 24.394 19.899 847 HB2 CYS 552 HB2 CYS 552 64.543 23.071 17.685 848 HB3 CYS 552 HB1 CYS 552 63.740 24.568 17.250 849 H GLN 553 HN GLN 553 61.732 24.670 19.212 850 HA GLN 553 HA GLN 553 60.239 26.400 19.239 851 HB2 GLN 553 HB2 GLN 553 61.929 27.098 21.617 852 HB3 GLN 553 HB1 GLN 553 60.339 27.787 21.279 853 HG2 GLN 553 HG2 GLN 553 60.859 24.819 21.460 854 HG3 GLN 553 HG1 GLN 553 60.300 25.782 22.813 855 HE21 GLN 553 HE21 GLN 553 59.416 24.649 19.575 856 HE22 GLN 553 HE22 GLN 553 57.739 24.843 19.769 857 H LYS 554 HN LYS 554 61.580 26.967 17.285 858 HA LYS 554 HA LYS 554 61.833 29.909 17.324 859 HB2 LYS 554 HB2 LYS 554 63.896 28.084 16.108 860 HB3 LYS 554 HB1 LYS 554 63.825 29.808 15.808 861 HG2 LYS 554 HG2 LYS 554 64.118 28.563 18.550 862 HG3 LYS 554 HG1 LYS 554 65.463 29.163 17.593 863 HD2 LYS 554 HD2 LYS 554 64.038 31.386 17.505 864 HD3 LYS 554 HD1 LYS 554 63.241 30.697 18.919 865 HE2 LYS 554 HE2 LYS 554 65.389 30.500 20.074 866 HE3 LYS 554 HE1 LYS 554 66.231 31.111 18.650 867 HZ1 LYS 554 HZ1 LYS 554 65.957 33.092 19.608 868 HZ2 LYS 554 HZ2 LYS 554 64.746 32.539 20.662 869 HZ3 LYS 554 HZ3 LYS 554 64.351 32.993 19.073 870 HA PRO 555 HA PRO 555 58.909 29.077 13.984 871 HB2 PRO 555 HB2 PRO 555 60.074 31.506 12.746 872 HB3 PRO 555 HB1 PRO 555 58.385 31.111 13.078 873 HG2 PRO 555 HG2 PRO 555 59.852 32.873 14.596 874 HG3 PRO 555 HG1 PRO 555 58.474 31.963 15.222 875 HD2 PRO 555 HD2 PRO 555 61.336 31.635 15.865 876 HD3 PRO 555 HD1 PRO 555 59.920 30.966 16.710 877 H ILE 556 HN ILE 556 59.038 27.850 12.254 878 HA ILE 556 HA ILE 556 61.649 27.420 10.913 879 HB ILE 556 HB ILE 556 58.981 25.968 10.823 880 HG12 ILE 556 HG12 ILE 556 61.580 24.810 11.823 881 HG13 ILE 556 HG11 ILE 556 60.671 25.861 12.886 882 HG21 ILE 556 HG21 ILE 556 61.594 25.467 9.395 883 HG22 ILE 556 HG22 ILE 556 59.989 25.665 8.690 884 HG23 ILE 556 HG23 ILE 556 60.373 24.222 9.625 885 HD11 ILE 556 HD11 ILE 556 59.068 23.739 11.540 886 HD12 ILE 556 HD12 ILE 556 59.006 24.313 13.206 887 HD13 ILE 556 HD13 ILE 556 60.251 23.173 12.716 888 H THR 557 HN THR 557 61.813 29.177 9.465 889 HA THR 557 HA THR 557 59.481 29.765 7.704 890 HB THR 557 HB THR 557 60.439 31.876 7.355 891 HG1 THR 557 HG1 THR 557 62.870 30.773 8.317 892 HG21 THR 557 HG21 THR 557 59.765 31.310 9.759 893 HG22 THR 557 HG22 THR 557 60.830 32.704 9.558 894 HG23 THR 557 HG23 THR 557 61.490 31.157 10.094 895 H GLY 558 HN GLY 558 59.631 28.027 6.282 896 HA2 GLY 558 HA2 GLY 558 60.763 28.270 3.830 897 HA3 GLY 558 HA1 GLY 558 62.078 27.522 4.749 898 H ARG 559 HN ARG 559 61.888 25.409 5.383 899 HA ARG 559 HA ARG 559 59.506 23.885 4.416 900 HB2 ARG 559 HB2 ARG 559 62.456 23.312 4.540 901 HB3 ARG 559 HB1 ARG 559 61.353 21.953 4.748 902 HG2 ARG 559 HG2 ARG 559 60.945 23.866 2.461 903 HG3 ARG 559 HG1 ARG 559 62.176 22.617 2.330 904 HD2 ARG 559 HD2 ARG 559 60.481 20.895 2.855 905 HD3 ARG 559 HD1 ARG 559 59.236 22.131 2.951 906 HE ARG 559 HE ARG 559 60.228 20.843 0.569 907 HH11 ARG 559 HH11 ARG 559 59.980 21.707 -1.482 908 HH12 ARG 559 HH12 ARG 559 59.503 23.363 -1.661 909 HH21 ARG 559 HH21 ARG 559 59.315 23.962 1.741 910 HH22 ARG 559 HH22 ARG 559 59.131 24.634 0.157 911 H CYS 560 HN CYS 560 58.645 22.308 5.907 912 HA CYS 560 HA CYS 560 59.812 22.319 8.630 913 HB2 CYS 560 HB2 CYS 560 57.633 22.794 9.678 914 HB3 CYS 560 HB1 CYS 560 58.217 24.156 8.719 915 HG CYS 560 HG CYS 560 55.649 23.542 8.159 916 H ILE 561 HN ILE 561 59.887 20.412 9.440 917 HA ILE 561 HA ILE 561 58.308 18.221 8.249 918 HB ILE 561 HB ILE 561 60.502 18.272 10.343 919 HG12 ILE 561 HG12 ILE 561 60.418 17.560 7.418 920 HG13 ILE 561 HG11 ILE 561 61.228 18.951 8.121 921 HG21 ILE 561 HG21 ILE 561 59.381 15.875 8.862 922 HG22 ILE 561 HG22 ILE 561 58.902 16.295 10.511 923 HG23 ILE 561 HG23 ILE 561 60.577 15.870 10.158 924 HD11 ILE 561 HD11 ILE 561 62.929 17.302 7.767 925 HD12 ILE 561 HD12 ILE 561 61.928 16.031 8.481 926 HD13 ILE 561 HD13 ILE 561 62.588 17.315 9.496 927 H THR 562 HN THR 562 56.884 17.050 9.462 928 HA THR 562 HA THR 562 56.099 18.195 12.112 929 HB THR 562 HB THR 562 54.159 16.845 10.252 930 HG1 THR 562 HG1 THR 562 55.093 19.471 10.332 931 HG21 THR 562 HG21 THR 562 53.697 17.037 12.723 932 HG22 THR 562 HG22 THR 562 52.509 17.847 11.698 933 HG23 THR 562 HG23 THR 562 53.747 18.791 12.527 934 H ALA 563 HN ALA 563 55.537 16.789 13.691 935 HA ALA 563 HA ALA 563 56.164 13.907 13.190 936 HB1 ALA 563 HB1 ALA 563 56.660 15.482 15.717 937 HB2 ALA 563 HB2 ALA 563 57.884 15.230 14.468 938 HB3 ALA 563 HB3 ALA 563 57.217 13.847 15.350 939 H MET 564 HN MET 564 55.466 14.017 16.263 940 HA MET 564 HA MET 564 52.852 12.872 16.032 941 HB2 MET 564 HB2 MET 564 53.943 14.083 18.561 942 HB3 MET 564 HB1 MET 564 52.985 12.613 18.360 943 HG2 MET 564 HG2 MET 564 55.026 11.741 16.990 944 HG3 MET 564 HG1 MET 564 55.901 13.060 17.766 945 HE1 MET 564 HE1 MET 564 55.233 13.512 20.447 946 HE2 MET 564 HE2 MET 564 56.866 13.017 20.006 947 HE3 MET 564 HE3 MET 564 56.078 12.289 21.405 948 H ALA 565 HN ALA 565 53.303 15.578 15.016 949 HA ALA 565 HA ALA 565 51.537 17.192 14.600 950 HB1 ALA 565 HB1 ALA 565 51.133 17.262 17.604 951 HB2 ALA 565 HB2 ALA 565 50.114 16.307 16.519 952 HB3 ALA 565 HB3 ALA 565 50.166 18.060 16.368 953 H LYS 566 HN LYS 566 54.290 16.818 16.456 954 HA LYS 566 HA LYS 566 54.690 19.675 17.048 955 HB2 LYS 566 HB2 LYS 566 56.185 17.125 17.459 956 HB3 LYS 566 HB1 LYS 566 57.175 18.570 17.300 957 HG2 LYS 566 HG2 LYS 566 56.162 19.614 19.166 958 HG3 LYS 566 HG1 LYS 566 54.816 18.477 19.182 959 HD2 LYS 566 HD2 LYS 566 57.612 17.408 19.516 960 HD3 LYS 566 HD1 LYS 566 56.842 18.204 20.883 961 HE2 LYS 566 HE2 LYS 566 55.129 16.601 21.021 962 HE3 LYS 566 HE1 LYS 566 55.345 16.079 19.345 963 HZ1 LYS 566 HZ1 LYS 566 56.279 14.680 21.340 964 HZ2 LYS 566 HZ2 LYS 566 57.586 15.756 21.210 965 HZ3 LYS 566 HZ3 LYS 566 57.134 14.799 19.881 966 H LYS 567 HN LYS 567 56.528 20.850 16.050 967 HA LYS 567 HA LYS 567 56.809 20.151 13.154 968 HB2 LYS 567 HB2 LYS 567 57.625 22.787 14.327 969 HB3 LYS 567 HB1 LYS 567 57.008 22.440 12.723 970 HG2 LYS 567 HG2 LYS 567 55.394 22.376 15.299 971 HG3 LYS 567 HG1 LYS 567 55.319 23.626 14.071 972 HD2 LYS 567 HD2 LYS 567 54.621 20.701 13.571 973 HD3 LYS 567 HD1 LYS 567 53.450 21.983 13.880 974 HE2 LYS 567 HE2 LYS 567 54.585 23.216 11.894 975 HE3 LYS 567 HE1 LYS 567 55.258 21.635 11.502 976 HZ1 LYS 567 HZ1 LYS 567 53.182 21.985 10.347 977 HZ2 LYS 567 HZ2 LYS 567 52.378 22.274 11.816 978 HZ3 LYS 567 HZ3 LYS 567 53.010 20.734 11.479 979 H PHE 568 HN PHE 568 59.128 20.962 12.326 980 HA PHE 568 HA PHE 568 61.215 20.691 14.381 981 HB2 PHE 568 HB2 PHE 568 60.271 18.360 12.858 982 HB3 PHE 568 HB1 PHE 568 61.988 18.611 12.619 983 HD1 PHE 568 HD1 PHE 568 59.508 17.234 14.782 984 HD2 PHE 568 HD2 PHE 568 63.403 19.047 14.786 985 HE1 PHE 568 HE1 PHE 568 59.968 16.241 17.008 986 HE2 PHE 568 HE2 PHE 568 63.862 18.054 17.011 987 HZ PHE 568 HZ PHE 568 62.145 16.651 18.122 988 H HIS 569 HN HIS 569 63.046 21.678 13.704 989 HA HIS 569 HA HIS 569 63.162 23.172 11.299 990 HB2 HIS 569 HB2 HIS 569 65.168 22.213 13.290 991 HB3 HIS 569 HB1 HIS 569 65.786 22.816 11.768 992 HD2 HIS 569 HD2 HIS 569 64.360 25.558 11.274 993 HE1 HIS 569 HE1 HIS 569 65.065 26.415 15.340 994 HA PRO 570 HA PRO 570 63.412 19.378 8.748 995 HB2 PRO 570 HB2 PRO 570 64.572 21.287 6.759 996 HB3 PRO 570 HB1 PRO 570 63.234 20.142 6.570 997 HG2 PRO 570 HG2 PRO 570 62.845 22.836 6.827 998 HG3 PRO 570 HG1 PRO 570 61.667 21.636 7.370 999 HD2 PRO 570 HD2 PRO 570 63.418 23.384 9.001 1000 HD3 PRO 570 HD1 PRO 570 61.928 22.530 9.467 1001 H GLU 571 HN GLU 571 65.861 21.529 9.780 1002 HA GLU 571 HA GLU 571 68.094 19.915 8.720 1003 HB2 GLU 571 HB2 GLU 571 68.406 22.257 10.583 1004 HB3 GLU 571 HB1 GLU 571 69.478 21.708 9.297 1005 HG2 GLU 571 HG2 GLU 571 67.638 22.304 7.660 1006 HG3 GLU 571 HG1 GLU 571 66.804 23.075 9.013 1007 H HIS 572 HN HIS 572 66.971 21.113 11.880 1008 HA HIS 572 HA HIS 572 68.793 19.552 13.424 1009 HB2 HIS 572 HB2 HIS 572 66.039 20.466 14.307 1010 HB3 HIS 572 HB1 HIS 572 67.421 20.121 15.343 1011 HD2 HIS 572 HD2 HIS 572 69.462 21.714 13.007 1012 HE1 HIS 572 HE1 HIS 572 67.582 25.140 14.565 1013 H PHE 573 HN PHE 573 66.399 18.462 11.429 1014 HA PHE 573 HA PHE 573 66.303 15.834 12.880 1015 HB2 PHE 573 HB2 PHE 573 64.108 17.225 12.844 1016 HB3 PHE 573 HB1 PHE 573 64.067 16.838 11.131 1017 HD1 PHE 573 HD1 PHE 573 64.412 15.231 14.490 1018 HD2 PHE 573 HD2 PHE 573 63.168 14.782 10.403 1019 HE1 PHE 573 HE1 PHE 573 63.478 12.996 15.020 1020 HE2 PHE 573 HE2 PHE 573 62.233 12.547 10.933 1021 HZ PHE 573 HZ PHE 573 62.388 11.654 13.242 1022 H VAL 574 HN VAL 574 68.306 16.206 11.218 1023 HA VAL 574 HA VAL 574 67.594 15.482 8.458 1024 HB VAL 574 HB VAL 574 70.082 15.631 8.114 1025 HG11 VAL 574 HG11 VAL 574 68.177 17.752 8.727 1026 HG12 VAL 574 HG12 VAL 574 69.401 17.689 7.474 1027 HG13 VAL 574 HG13 VAL 574 69.829 18.272 9.063 1028 HG21 VAL 574 HG21 VAL 574 70.034 16.721 10.952 1029 HG22 VAL 574 HG22 VAL 574 71.449 16.527 9.911 1030 HG23 VAL 574 HG23 VAL 574 70.608 15.105 10.528 1031 H CYS 575 HN CYS 575 69.269 13.823 7.485 1032 HA CYS 575 HA CYS 575 68.980 11.266 8.925 1033 HB2 CYS 575 HB2 CYS 575 68.769 10.635 6.752 1034 HB3 CYS 575 HB1 CYS 575 69.455 12.156 6.191 1035 H ALA 576 HN ALA 576 70.758 10.081 9.850 1036 HA ALA 576 HA ALA 576 73.206 11.786 10.150 1037 HB1 ALA 576 HB1 ALA 576 73.783 9.624 11.638 1038 HB2 ALA 576 HB2 ALA 576 72.033 9.395 11.555 1039 HB3 ALA 576 HB3 ALA 576 72.695 10.879 12.235 1040 H PHE 577 HN PHE 577 73.586 11.445 7.823 1041 HA PHE 577 HA PHE 577 75.691 9.473 7.360 1042 HB2 PHE 577 HB2 PHE 577 73.680 8.261 6.434 1043 HB3 PHE 577 HB1 PHE 577 73.370 9.637 5.390 1044 HD1 PHE 577 HD1 PHE 577 75.959 7.027 6.179 1045 HD2 PHE 577 HD2 PHE 577 74.473 9.868 3.315 1046 HE1 PHE 577 HE1 PHE 577 77.498 6.117 4.478 1047 HE2 PHE 577 HE2 PHE 577 76.016 8.940 1.611 1048 HZ PHE 577 HZ PHE 577 77.529 7.071 2.193 1049 H CYS 578 HN CYS 578 73.447 11.733 6.041 1050 HA CYS 578 HA CYS 578 75.577 13.652 5.243 1051 HB2 CYS 578 HB2 CYS 578 74.214 14.243 3.275 1052 HB3 CYS 578 HB1 CYS 578 74.621 12.540 3.209 1053 H LEU 579 HN LEU 579 75.059 14.458 7.386 1054 HA LEU 579 HA LEU 579 72.592 15.093 8.473 1055 HB2 LEU 579 HB2 LEU 579 75.209 16.536 8.709 1056 HB3 LEU 579 HB1 LEU 579 73.819 16.820 9.752 1057 HG LEU 579 HG LEU 579 74.773 13.983 9.381 1058 HD11 LEU 579 HD11 LEU 579 76.006 15.898 11.362 1059 HD12 LEU 579 HD12 LEU 579 76.807 15.331 9.896 1060 HD13 LEU 579 HD13 LEU 579 76.382 14.197 11.169 1061 HD21 LEU 579 HD21 LEU 579 74.053 13.892 11.801 1062 HD22 LEU 579 HD22 LEU 579 72.762 14.291 10.674 1063 HD23 LEU 579 HD23 LEU 579 73.508 15.560 11.644 1064 H LYS 580 HN LYS 580 73.070 16.237 5.448 1065 HA LYS 580 HA LYS 580 72.436 19.061 6.084 1066 HB2 LYS 580 HB2 LYS 580 72.944 19.563 3.895 1067 HB3 LYS 580 HB1 LYS 580 73.859 18.077 4.063 1068 HG2 LYS 580 HG2 LYS 580 71.047 18.187 2.887 1069 HG3 LYS 580 HG1 LYS 580 72.520 18.251 1.936 1070 HD2 LYS 580 HD2 LYS 580 73.119 16.060 2.432 1071 HD3 LYS 580 HD1 LYS 580 72.153 16.015 3.902 1072 HE2 LYS 580 HE2 LYS 580 71.268 14.722 1.847 1073 HE3 LYS 580 HE1 LYS 580 70.141 15.757 2.722 1074 HZ1 LYS 580 HZ1 LYS 580 70.167 17.336 1.077 1075 HZ2 LYS 580 HZ2 LYS 580 70.326 15.919 0.153 1076 HZ3 LYS 580 HZ3 LYS 580 71.690 16.875 0.490 1077 H GLN 581 HN GLN 581 70.570 16.241 4.759 1078 HA GLN 581 HA GLN 581 68.197 17.644 5.667 1079 HB2 GLN 581 HB2 GLN 581 68.704 18.716 3.475 1080 HB3 GLN 581 HB1 GLN 581 68.296 17.182 2.707 1081 HG2 GLN 581 HG2 GLN 581 66.278 18.445 2.698 1082 HG3 GLN 581 HG1 GLN 581 66.087 17.317 4.025 1083 HE21 GLN 581 HE21 GLN 581 66.612 18.200 6.253 1084 HE22 GLN 581 HE22 GLN 581 66.354 19.847 6.533 1085 H LEU 582 HN LEU 582 66.479 16.472 6.045 1086 HA LEU 582 HA LEU 582 66.258 13.742 4.889 1087 HB2 LEU 582 HB2 LEU 582 67.236 13.738 7.225 1088 HB3 LEU 582 HB1 LEU 582 65.699 14.369 7.791 1089 HG LEU 582 HG LEU 582 64.566 12.355 6.924 1090 HD11 LEU 582 HD11 LEU 582 67.234 11.890 5.718 1091 HD12 LEU 582 HD12 LEU 582 65.654 11.384 5.149 1092 HD13 LEU 582 HD13 LEU 582 66.477 10.454 6.400 1093 HD21 LEU 582 HD21 LEU 582 65.842 10.691 8.466 1094 HD22 LEU 582 HD22 LEU 582 65.167 12.154 9.180 1095 HD23 LEU 582 HD23 LEU 582 66.885 12.066 8.823 1096 H ASN 583 HN ASN 583 63.977 12.881 5.329 1097 HA ASN 583 HA ASN 583 61.935 15.036 5.598 1098 HB2 ASN 583 HB2 ASN 583 62.382 13.265 3.187 1099 HB3 ASN 583 HB1 ASN 583 60.780 13.902 3.549 1100 HD21 ASN 583 HD21 ASN 583 61.811 14.779 1.203 1101 HD22 ASN 583 HD22 ASN 583 62.375 16.370 1.331 1102 H LYS 584 HN LYS 584 60.005 14.271 6.461 1103 HA LYS 584 HA LYS 584 60.065 11.843 7.962 1104 HB2 LYS 584 HB2 LYS 584 57.607 12.317 8.250 1105 HB3 LYS 584 HB1 LYS 584 58.666 13.667 8.666 1106 HG2 LYS 584 HG2 LYS 584 58.027 14.934 6.826 1107 HG3 LYS 584 HG1 LYS 584 57.705 13.522 5.818 1108 HD2 LYS 584 HD2 LYS 584 55.620 14.703 6.424 1109 HD3 LYS 584 HD1 LYS 584 55.660 13.067 7.075 1110 HE2 LYS 584 HE2 LYS 584 56.144 13.832 9.270 1111 HE3 LYS 584 HE1 LYS 584 56.578 15.441 8.695 1112 HZ1 LYS 584 HZ1 LYS 584 53.894 14.528 8.056 1113 HZ2 LYS 584 HZ2 LYS 584 54.435 16.065 8.540 1114 HZ3 LYS 584 HZ3 LYS 584 54.195 14.843 9.696 1115 H GLY 585 HN GLY 585 59.321 12.496 4.695 1116 HA2 GLY 585 HA2 GLY 585 57.646 10.098 4.340 1117 HA3 GLY 585 HA1 GLY 585 58.074 11.268 3.095 1118 H THR 586 HN THR 586 60.912 11.021 4.224 1119 HA THR 586 HA THR 586 61.626 8.375 3.020 1120 HB THR 586 HB THR 586 63.215 9.314 1.588 1121 HG1 THR 586 HG1 THR 586 64.297 10.573 3.074 1122 HG21 THR 586 HG21 THR 586 62.093 11.079 0.366 1123 HG22 THR 586 HG22 THR 586 61.165 11.540 1.795 1124 HG23 THR 586 HG23 THR 586 60.856 9.995 1.004 1125 H PHE 587 HN PHE 587 61.435 9.451 5.832 1126 HA PHE 587 HA PHE 587 64.306 9.522 6.603 1127 HB2 PHE 587 HB2 PHE 587 63.503 10.779 8.293 1128 HB3 PHE 587 HB1 PHE 587 61.869 10.451 7.776 1129 HD1 PHE 587 HD1 PHE 587 60.464 8.897 8.946 1130 HD2 PHE 587 HD2 PHE 587 64.627 9.258 9.939 1131 HE1 PHE 587 HE1 PHE 587 60.098 7.525 10.978 1132 HE2 PHE 587 HE2 PHE 587 64.262 7.887 11.972 1133 HZ PHE 587 HZ PHE 587 61.996 7.020 12.492 1134 H LYS 588 HN LYS 588 65.299 7.726 6.650 1135 HA LYS 588 HA LYS 588 64.012 5.191 7.530 1136 HB2 LYS 588 HB2 LYS 588 65.663 5.831 5.338 1137 HB3 LYS 588 HB1 LYS 588 66.754 5.065 6.449 1138 HG2 LYS 588 HG2 LYS 588 65.712 3.480 4.821 1139 HG3 LYS 588 HG1 LYS 588 65.467 3.044 6.497 1140 HD2 LYS 588 HD2 LYS 588 63.481 2.895 4.770 1141 HD3 LYS 588 HD1 LYS 588 63.184 3.443 6.401 1142 HE2 LYS 588 HE2 LYS 588 62.847 5.661 5.721 1143 HE3 LYS 588 HE1 LYS 588 63.836 5.470 4.291 1144 HZ1 LYS 588 HZ1 LYS 588 61.300 5.548 4.051 1145 HZ2 LYS 588 HZ2 LYS 588 61.356 3.933 4.575 1146 HZ3 LYS 588 HZ3 LYS 588 62.172 4.399 3.159 1147 H GLU 589 HN GLU 589 65.587 3.789 8.896 1148 HA GLU 589 HA GLU 589 67.468 5.409 10.502 1149 HB2 GLU 589 HB2 GLU 589 65.590 5.939 11.783 1150 HB3 GLU 589 HB1 GLU 589 64.841 4.367 11.540 1151 HG2 GLU 589 HG2 GLU 589 66.361 3.321 13.072 1152 HG3 GLU 589 HG1 GLU 589 67.404 4.746 13.123 1153 H GLN 590 HN GLN 590 68.714 4.198 11.910 1154 HA GLN 590 HA GLN 590 68.614 1.300 11.973 1155 HB2 GLN 590 HB2 GLN 590 69.839 2.095 9.751 1156 HB3 GLN 590 HB1 GLN 590 71.166 2.448 10.841 1157 HG2 GLN 590 HG2 GLN 590 71.722 0.249 10.460 1158 HG3 GLN 590 HG1 GLN 590 70.526 -0.051 11.718 1159 HE21 GLN 590 HE21 GLN 590 71.331 -1.628 9.184 1160 HE22 GLN 590 HE22 GLN 590 69.854 -1.928 8.402 1161 H ASN 591 HN ASN 591 69.913 0.587 13.743 1162 HA ASN 591 HA ASN 591 70.788 0.901 15.886 1163 HB2 ASN 591 HB2 ASN 591 72.770 2.868 15.511 1164 HB3 ASN 591 HB1 ASN 591 72.995 1.137 15.374 1165 HD21 ASN 591 HD21 ASN 591 71.817 0.476 13.018 1166 HD22 ASN 591 HD22 ASN 591 72.492 1.335 11.722 1167 H ASP 592 HN ASP 592 68.586 2.769 14.927 1168 HA ASP 592 HA ASP 592 67.275 4.345 16.083 1169 HB2 ASP 592 HB2 ASP 592 69.567 5.016 17.909 1170 HB3 ASP 592 HB1 ASP 592 67.837 5.044 18.241 1171 H LYS 593 HN LYS 593 70.106 4.890 14.465 1172 HA LYS 593 HA LYS 593 70.144 7.813 14.771 1173 HB2 LYS 593 HB2 LYS 593 71.717 6.082 12.894 1174 HB3 LYS 593 HB1 LYS 593 72.099 7.716 13.413 1175 HG2 LYS 593 HG2 LYS 593 72.080 6.688 15.818 1176 HG3 LYS 593 HG1 LYS 593 72.252 5.149 14.978 1177 HD2 LYS 593 HD2 LYS 593 74.293 5.917 13.889 1178 HD3 LYS 593 HD1 LYS 593 74.102 7.524 14.594 1179 HE2 LYS 593 HE2 LYS 593 74.505 4.947 16.146 1180 HE3 LYS 593 HE1 LYS 593 75.725 6.193 15.888 1181 HZ1 LYS 593 HZ1 LYS 593 74.902 6.813 17.906 1182 HZ2 LYS 593 HZ2 LYS 593 73.332 6.254 17.579 1183 HZ3 LYS 593 HZ3 LYS 593 73.877 7.711 16.896 1184 HA PRO 594 HA PRO 594 67.061 8.188 11.418 1185 HB2 PRO 594 HB2 PRO 594 68.504 10.760 10.968 1186 HB3 PRO 594 HB1 PRO 594 66.774 10.472 11.150 1187 HG2 PRO 594 HG2 PRO 594 68.277 11.585 13.105 1188 HG3 PRO 594 HG1 PRO 594 66.897 10.536 13.466 1189 HD2 PRO 594 HD2 PRO 594 69.808 9.958 13.750 1190 HD3 PRO 594 HD1 PRO 594 68.421 9.221 14.585 1191 H TYR 595 HN TYR 595 67.173 8.450 8.965 1192 HA TYR 595 HA TYR 595 69.784 8.516 7.672 1193 HB2 TYR 595 HB2 TYR 595 68.499 5.892 8.339 1194 HB3 TYR 595 HB1 TYR 595 69.364 6.027 6.823 1195 HD1 TYR 595 HD1 TYR 595 71.725 7.328 7.120 1196 HD2 TYR 595 HD2 TYR 595 69.734 5.000 10.116 1197 HE1 TYR 595 HE1 TYR 595 73.902 6.898 8.244 1198 HE2 TYR 595 HE2 TYR 595 71.904 4.585 11.235 1199 HH TYR 595 HH TYR 595 74.947 5.757 9.838 1200 H CYS 596 HN CYS 596 69.479 8.936 5.461 1201 HA CYS 596 HA CYS 596 66.728 8.993 4.423 1202 HB2 CYS 596 HB2 CYS 596 69.236 9.090 2.722 1203 HB3 CYS 596 HB1 CYS 596 67.646 9.727 2.346 1204 H GLN 597 HN GLN 597 66.037 7.443 2.726 1205 HA GLN 597 HA GLN 597 66.877 4.798 3.352 1206 HB2 GLN 597 HB2 GLN 597 64.768 4.833 2.340 1207 HB3 GLN 597 HB1 GLN 597 65.239 6.046 1.181 1208 HG2 GLN 597 HG2 GLN 597 65.094 4.169 -0.191 1209 HG3 GLN 597 HG1 GLN 597 66.788 4.109 0.250 1210 HE21 GLN 597 HE21 GLN 597 66.303 3.231 3.008 1211 HE22 GLN 597 HE22 GLN 597 65.789 1.636 2.924 1212 H ASN 598 HN ASN 598 67.535 6.753 0.463 1213 HA ASN 598 HA ASN 598 69.425 5.177 -0.802 1214 HB2 ASN 598 HB2 ASN 598 69.941 8.126 -0.533 1215 HB3 ASN 598 HB1 ASN 598 70.065 7.101 -1.957 1216 HD21 ASN 598 HD21 ASN 598 67.654 5.860 -2.082 1217 HD22 ASN 598 HD22 ASN 598 66.401 6.986 -2.242 1218 H CYS 599 HN CYS 599 69.776 6.928 2.192 1219 HA CYS 599 HA CYS 599 72.695 6.628 2.229 1220 HB2 CYS 599 HB2 CYS 599 70.687 7.653 4.250 1221 HB3 CYS 599 HB1 CYS 599 72.416 7.558 4.563 1222 H PHE 600 HN PHE 600 70.113 5.552 4.493 1223 HA PHE 600 HA PHE 600 71.636 3.638 5.854 1224 HB2 PHE 600 HB2 PHE 600 69.611 3.733 6.914 1225 HB3 PHE 600 HB1 PHE 600 68.780 4.229 5.450 1226 HD1 PHE 600 HD1 PHE 600 67.847 2.575 3.906 1227 HD2 PHE 600 HD2 PHE 600 69.780 1.375 7.542 1228 HE1 PHE 600 HE1 PHE 600 66.860 0.311 3.680 1229 HE2 PHE 600 HE2 PHE 600 68.793 -0.890 7.320 1230 HZ PHE 600 HZ PHE 600 67.334 -1.422 5.389 1231 H LEU 601 HN LEU 601 69.543 3.079 2.999 1232 HA LEU 601 HA LEU 601 70.148 0.374 2.627 1233 HB2 LEU 601 HB2 LEU 601 68.881 0.661 0.752 1234 HB3 LEU 601 HB1 LEU 601 68.760 2.347 1.229 1235 HG LEU 601 HG LEU 601 70.834 2.805 -0.142 1236 HD11 LEU 601 HD11 LEU 601 72.070 1.059 -0.869 1237 HD12 LEU 601 HD12 LEU 601 70.754 0.590 -1.939 1238 HD13 LEU 601 HD13 LEU 601 70.861 -0.095 -0.320 1239 HD21 LEU 601 HD21 LEU 601 68.439 3.078 -0.952 1240 HD22 LEU 601 HD22 LEU 601 68.617 1.523 -1.756 1241 HD23 LEU 601 HD23 LEU 601 69.640 2.881 -2.223 1242 H LYS 602 HN LYS 602 71.979 3.228 1.613 1243 HA LYS 602 HA LYS 602 74.010 1.955 0.136 1244 HB2 LYS 602 HB2 LYS 602 73.590 4.534 1.209 1245 HB3 LYS 602 HB1 LYS 602 75.122 4.043 1.895 1246 HG2 LYS 602 HG2 LYS 602 74.480 3.896 -1.058 1247 HG3 LYS 602 HG1 LYS 602 75.278 5.266 -0.311 1248 HD2 LYS 602 HD2 LYS 602 77.274 4.192 -0.540 1249 HD3 LYS 602 HD1 LYS 602 76.703 2.953 0.575 1250 HE2 LYS 602 HE2 LYS 602 77.504 2.127 -1.690 1251 HE3 LYS 602 HE1 LYS 602 75.897 1.595 -1.208 1252 HZ1 LYS 602 HZ1 LYS 602 74.931 2.776 -2.835 1253 HZ2 LYS 602 HZ2 LYS 602 76.468 2.742 -3.558 1254 HZ3 LYS 602 HZ3 LYS 602 75.978 4.097 -2.658 1255 H LEU 603 HN LEU 603 73.372 1.883 3.555 1256 HA LEU 603 HA LEU 603 76.045 0.774 4.180 1257 HB2 LEU 603 HB2 LEU 603 73.834 1.022 6.198 1258 HB3 LEU 603 HB1 LEU 603 75.573 1.215 6.416 1259 HG LEU 603 HG LEU 603 73.728 3.124 4.952 1260 HD11 LEU 603 HD11 LEU 603 75.376 3.705 7.405 1261 HD12 LEU 603 HD12 LEU 603 73.758 3.014 7.539 1262 HD13 LEU 603 HD13 LEU 603 73.985 4.585 6.774 1263 HD21 LEU 603 HD21 LEU 603 75.774 4.564 4.836 1264 HD22 LEU 603 HD22 LEU 603 75.923 3.095 3.879 1265 HD23 LEU 603 HD23 LEU 603 76.721 3.208 5.445 1266 H PHE 604 HN PHE 604 72.651 -0.276 4.791 1267 HA PHE 604 HA PHE 604 73.666 -3.090 4.962 1268 HB2 PHE 604 HB2 PHE 604 71.216 -1.689 6.038 1269 HB3 PHE 604 HB1 PHE 604 71.284 -3.448 5.930 1270 HD1 PHE 604 HD1 PHE 604 72.678 -0.458 7.581 1271 HD2 PHE 604 HD2 PHE 604 72.851 -4.742 7.283 1272 HE1 PHE 604 HE1 PHE 604 73.992 -0.553 9.680 1273 HE2 PHE 604 HE2 PHE 604 74.166 -4.834 9.383 1274 HZ PHE 604 HZ PHE 604 74.736 -2.740 10.581 1275 H CYS 605 HN CYS 605 71.475 -1.028 3.125 1276 HA CYS 605 HA CYS 605 70.049 -1.540 1.320 1277 HB2 CYS 605 HB2 CYS 605 71.194 -2.479 -0.500 1278 HB3 CYS 605 HB1 CYS 605 72.505 -1.866 0.502 1279 HG CYS 605 HG CYS 605 72.752 -4.381 1.439 Start of MODEL 18 1 H MET 1 HT1 MET 1 93.995 -21.972 8.235 2 HA MET 1 HA MET 1 93.747 -23.675 10.040 3 HB2 MET 1 HB2 MET 1 95.688 -23.432 8.373 4 HB3 MET 1 HB1 MET 1 96.580 -22.671 9.688 5 HG2 MET 1 HG2 MET 1 95.932 -24.767 11.071 6 HG3 MET 1 HG1 MET 1 95.538 -25.497 9.516 7 HE1 MET 1 HE1 MET 1 97.424 -27.227 10.709 8 HE2 MET 1 HE2 MET 1 98.739 -27.324 9.540 9 HE3 MET 1 HE3 MET 1 97.074 -27.214 8.975 10 H ALA 2 HN ALA 2 96.613 -22.937 11.451 11 HA ALA 2 HA ALA 2 95.639 -21.210 13.610 12 HB1 ALA 2 HB1 ALA 2 94.749 -23.572 14.070 13 HB2 ALA 2 HB2 ALA 2 95.696 -22.829 15.359 14 HB3 ALA 2 HB3 ALA 2 96.433 -24.041 14.309 15 H LEU 3 HN LEU 3 98.079 -23.635 12.729 16 HA LEU 3 HA LEU 3 100.260 -22.892 14.242 17 HB2 LEU 3 HB2 LEU 3 100.068 -23.664 11.330 18 HB3 LEU 3 HB1 LEU 3 101.625 -23.440 12.123 19 HG LEU 3 HG LEU 3 99.461 -25.303 13.142 20 HD11 LEU 3 HD11 LEU 3 101.057 -27.091 12.252 21 HD12 LEU 3 HD12 LEU 3 101.837 -25.798 11.340 22 HD13 LEU 3 HD13 LEU 3 100.144 -26.192 11.039 23 HD21 LEU 3 HD21 LEU 3 102.239 -24.583 14.021 24 HD22 LEU 3 HD22 LEU 3 101.739 -26.263 14.199 25 HD23 LEU 3 HD23 LEU 3 100.821 -24.986 14.986 26 H ASP 4 HN ASP 4 100.160 -21.833 10.938 27 HA ASP 4 HA ASP 4 100.780 -19.887 9.889 28 HB2 ASP 4 HB2 ASP 4 98.892 -18.841 10.891 29 HB3 ASP 4 HB1 ASP 4 99.680 -18.770 12.459 30 H GLY 5 HN GLY 5 102.308 -21.049 12.584 31 HA2 GLY 5 HA2 GLY 5 104.806 -20.955 12.484 32 HA3 GLY 5 HA1 GLY 5 104.636 -19.228 12.181 33 H ILE 6 HN ILE 6 102.234 -19.567 14.077 34 HA ILE 6 HA ILE 6 103.777 -19.275 16.632 35 HB ILE 6 HB ILE 6 101.458 -17.838 17.039 36 HG12 ILE 6 HG12 ILE 6 100.982 -18.344 14.528 37 HG13 ILE 6 HG11 ILE 6 100.768 -16.705 15.098 38 HG21 ILE 6 HG21 ILE 6 102.877 -15.814 16.380 39 HG22 ILE 6 HG22 ILE 6 104.136 -16.982 15.979 40 HG23 ILE 6 HG23 ILE 6 103.519 -16.881 17.629 41 HD11 ILE 6 HD11 ILE 6 102.219 -17.377 12.888 42 HD12 ILE 6 HD12 ILE 6 103.496 -17.307 14.097 43 HD13 ILE 6 HD13 ILE 6 102.473 -15.902 13.816 44 H ARG 7 HN ARG 7 100.346 -19.146 16.960 45 HA ARG 7 HA ARG 7 100.002 -22.026 17.191 46 HB2 ARG 7 HB2 ARG 7 99.362 -21.805 19.649 47 HB3 ARG 7 HB1 ARG 7 101.067 -21.776 19.258 48 HG2 ARG 7 HG2 ARG 7 99.764 -19.107 19.291 49 HG3 ARG 7 HG1 ARG 7 99.853 -19.921 20.855 50 HD2 ARG 7 HD2 ARG 7 102.306 -20.247 20.481 51 HD3 ARG 7 HD1 ARG 7 102.155 -19.294 19.010 52 HE ARG 7 HE ARG 7 101.051 -17.756 21.105 53 HH11 ARG 7 HH11 ARG 7 102.305 -16.156 22.094 54 HH12 ARG 7 HH12 ARG 7 104.031 -16.238 21.986 55 HH21 ARG 7 HH21 ARG 7 104.040 -19.157 20.115 56 HH22 ARG 7 HH22 ARG 7 105.014 -17.937 20.865 57 H MET 8 HN MET 8 98.191 -19.859 19.309 58 HA MET 8 HA MET 8 95.971 -19.849 17.298 59 HB2 MET 8 HB2 MET 8 94.934 -20.168 20.021 60 HB3 MET 8 HB1 MET 8 94.583 -21.087 18.572 61 HG2 MET 8 HG2 MET 8 96.795 -22.277 18.886 62 HG3 MET 8 HG1 MET 8 96.905 -21.522 20.468 63 HE1 MET 8 HE1 MET 8 96.054 -24.866 19.003 64 HE2 MET 8 HE2 MET 8 95.946 -25.375 20.687 65 HE3 MET 8 HE3 MET 8 97.234 -24.282 20.185 66 HA PRO 9 HA PRO 9 95.061 -16.139 20.335 67 HB2 PRO 9 HB2 PRO 9 97.851 -15.797 21.400 68 HB3 PRO 9 HB1 PRO 9 96.296 -15.449 22.190 69 HG2 PRO 9 HG2 PRO 9 97.613 -17.595 22.879 70 HG3 PRO 9 HG1 PRO 9 95.865 -17.704 22.576 71 HD2 PRO 9 HD2 PRO 9 98.116 -18.500 20.758 72 HD3 PRO 9 HD1 PRO 9 96.647 -19.388 21.152 73 H ASP 10 HN ASP 10 98.165 -16.692 18.856 74 HA ASP 10 HA ASP 10 97.964 -14.108 17.342 75 HB2 ASP 10 HB2 ASP 10 100.003 -14.532 18.882 76 HB3 ASP 10 HB1 ASP 10 100.484 -15.745 17.697 77 H GLY 11 HN GLY 11 98.265 -17.555 17.259 78 HA2 GLY 11 HA2 GLY 11 98.783 -17.673 14.377 79 HA3 GLY 11 HA1 GLY 11 98.486 -19.040 15.445 80 H CYS 12 HN CYS 12 96.131 -16.749 16.022 81 HA CYS 12 HA CYS 12 94.357 -17.347 13.790 82 HB2 CYS 12 HB2 CYS 12 94.087 -19.466 14.871 83 HB3 CYS 12 HB1 CYS 12 93.975 -18.713 16.461 84 HG CYS 12 HG CYS 12 91.526 -18.806 16.014 85 H TYR 13 HN TYR 13 94.544 -16.331 17.185 86 HA TYR 13 HA TYR 13 93.942 -14.258 18.110 87 HB2 TYR 13 HB2 TYR 13 93.896 -13.427 15.594 88 HB3 TYR 13 HB1 TYR 13 92.149 -13.571 15.781 89 HD1 TYR 13 HD1 TYR 13 95.156 -11.736 16.801 90 HD2 TYR 13 HD2 TYR 13 90.939 -12.223 17.457 91 HE1 TYR 13 HE1 TYR 13 95.098 -9.583 18.032 92 HE2 TYR 13 HE2 TYR 13 90.881 -10.070 18.686 93 HH TYR 13 HH TYR 13 92.080 -8.392 19.509 94 H ALA 14 HN ALA 14 91.045 -14.946 16.162 95 HA ALA 14 HA ALA 14 89.625 -16.633 17.831 96 HB1 ALA 14 HB1 ALA 14 89.659 -15.409 19.795 97 HB2 ALA 14 HB2 ALA 14 88.263 -14.631 19.052 98 HB3 ALA 14 HB3 ALA 14 89.856 -13.878 18.945 99 H ASP 15 HN ASP 15 89.447 -13.573 16.096 100 HA ASP 15 HA ASP 15 87.060 -14.624 14.640 101 HB2 ASP 15 HB2 ASP 15 86.480 -12.886 16.438 102 HB3 ASP 15 HB1 ASP 15 87.353 -11.722 15.439 103 H GLY 16 HN GLY 16 90.181 -13.607 14.475 104 HA2 GLY 16 HA2 GLY 16 91.536 -12.963 12.662 105 HA3 GLY 16 HA1 GLY 16 90.184 -13.410 11.619 106 H THR 17 HN THR 17 90.336 -10.938 14.160 107 HA THR 17 HA THR 17 89.012 -9.028 12.419 108 HB THR 17 HB THR 17 88.450 -8.668 14.672 109 HG1 THR 17 HG1 THR 17 90.642 -6.967 14.173 110 HG21 THR 17 HG21 THR 17 91.386 -9.109 15.206 111 HG22 THR 17 HG22 THR 17 90.031 -10.091 15.763 112 HG23 THR 17 HG23 THR 17 90.281 -8.477 16.427 113 H TRP 18 HN TRP 18 89.936 -7.688 11.088 114 HA TRP 18 HA TRP 18 92.756 -6.816 11.496 115 HB2 TRP 18 HB2 TRP 18 92.485 -6.760 8.754 116 HB3 TRP 18 HB1 TRP 18 93.267 -8.059 9.640 117 HD1 TRP 18 HD1 TRP 18 89.760 -7.148 8.284 118 HE1 TRP 18 HE1 TRP 18 88.553 -9.347 7.671 119 HE3 TRP 18 HE3 TRP 18 93.230 -10.539 9.880 120 HZ2 TRP 18 HZ2 TRP 18 88.999 -12.165 7.845 121 HZ3 TRP 18 HZ3 TRP 18 92.813 -12.971 9.644 122 HH2 TRP 18 HH2 TRP 18 90.704 -13.787 8.629 123 H GLU 19 HN GLU 19 92.706 -4.644 11.729 124 HA GLU 19 HA GLU 19 90.308 -3.162 11.057 125 HB2 GLU 19 HB2 GLU 19 92.264 -1.217 11.538 126 HB3 GLU 19 HB1 GLU 19 91.170 -1.891 12.739 127 HG2 GLU 19 HG2 GLU 19 93.548 -2.019 13.424 128 HG3 GLU 19 HG1 GLU 19 92.775 -3.600 13.311 129 H LEU 20 HN LEU 20 89.834 -2.183 9.177 130 HA LEU 20 HA LEU 20 91.819 -2.323 7.018 131 HB2 LEU 20 HB2 LEU 20 88.942 -2.216 7.190 132 HB3 LEU 20 HB1 LEU 20 89.459 -0.835 6.233 133 HG LEU 20 HG LEU 20 89.093 -2.713 4.752 134 HD11 LEU 20 HD11 LEU 20 91.373 -1.193 4.754 135 HD12 LEU 20 HD12 LEU 20 90.943 -2.340 3.487 136 HD13 LEU 20 HD13 LEU 20 92.053 -2.823 4.766 137 HD21 LEU 20 HD21 LEU 20 91.282 -4.353 5.990 138 HD22 LEU 20 HD22 LEU 20 89.845 -4.878 5.122 139 HD23 LEU 20 HD23 LEU 20 89.712 -4.361 6.794 140 H SER 21 HN SER 21 92.990 -0.605 6.303 141 HA SER 21 HA SER 21 93.007 1.794 7.961 142 HB2 SER 21 HB2 SER 21 94.982 0.572 6.683 143 HB3 SER 21 HB1 SER 21 94.478 1.617 5.358 144 HG SER 21 HG SER 21 94.860 3.390 6.635 145 H VAL 22 HN VAL 22 92.403 3.854 7.340 146 HA VAL 22 HA VAL 22 91.076 4.154 4.693 147 HB VAL 22 HB VAL 22 89.824 4.708 7.388 148 HG11 VAL 22 HG11 VAL 22 88.001 5.856 6.042 149 HG12 VAL 22 HG12 VAL 22 89.131 5.913 4.687 150 HG13 VAL 22 HG13 VAL 22 89.493 6.781 6.182 151 HG21 VAL 22 HG21 VAL 22 89.402 2.534 6.306 152 HG22 VAL 22 HG22 VAL 22 88.873 3.374 4.839 153 HG23 VAL 22 HG23 VAL 22 87.935 3.522 6.328 154 H HIS 23 HN HIS 23 92.401 5.574 3.795 155 HA HIS 23 HA HIS 23 93.633 7.768 5.290 156 HB2 HIS 23 HB2 HIS 23 93.607 6.731 2.482 157 HB3 HIS 23 HB1 HIS 23 94.112 8.406 2.725 158 HD1 HIS 23 HD1 HIS 23 94.916 4.988 4.253 159 HD2 HIS 23 HD2 HIS 23 96.810 8.570 3.269 160 HE1 HIS 23 HE1 HIS 23 97.371 4.674 4.794 161 H VAL 24 HN VAL 24 92.070 9.266 6.008 162 HA VAL 24 HA VAL 24 89.739 9.844 4.378 163 HB VAL 24 HB VAL 24 90.766 11.670 6.555 164 HG11 VAL 24 HG11 VAL 24 87.990 10.732 5.757 165 HG12 VAL 24 HG12 VAL 24 88.714 12.261 5.259 166 HG13 VAL 24 HG13 VAL 24 88.364 11.962 6.962 167 HG21 VAL 24 HG21 VAL 24 89.595 10.185 8.183 168 HG22 VAL 24 HG22 VAL 24 90.992 9.399 7.449 169 HG23 VAL 24 HG23 VAL 24 89.365 9.000 6.898 170 H THR 25 HN THR 25 89.936 10.914 2.497 171 HA THR 25 HA THR 25 92.242 12.618 1.970 172 HB THR 25 HB THR 25 91.366 12.750 -0.270 173 HG1 THR 25 HG1 THR 25 89.073 12.751 0.934 174 HG21 THR 25 HG21 THR 25 91.025 10.344 -0.787 175 HG22 THR 25 HG22 THR 25 90.769 10.027 0.927 176 HG23 THR 25 HG23 THR 25 92.343 10.578 0.361 177 H ASP 26 HN ASP 26 88.776 13.107 2.602 178 HA ASP 26 HA ASP 26 88.849 15.961 2.071 179 HB2 ASP 26 HB2 ASP 26 86.905 14.589 3.943 180 HB3 ASP 26 HB1 ASP 26 86.637 16.017 2.942 181 H LEU 27 HN LEU 27 90.597 14.346 4.181 182 HA LEU 27 HA LEU 27 90.663 16.573 6.142 183 HB2 LEU 27 HB2 LEU 27 89.786 13.784 6.638 184 HB3 LEU 27 HB1 LEU 27 90.917 14.403 7.826 185 HG LEU 27 HG LEU 27 88.518 16.046 7.009 186 HD11 LEU 27 HD11 LEU 27 87.473 14.007 7.631 187 HD12 LEU 27 HD12 LEU 27 87.410 15.013 9.078 188 HD13 LEU 27 HD13 LEU 27 88.614 13.729 8.946 189 HD21 LEU 27 HD21 LEU 27 88.863 17.120 9.105 190 HD22 LEU 27 HD22 LEU 27 90.482 16.897 8.437 191 HD23 LEU 27 HD23 LEU 27 89.891 15.811 9.693 192 H ASN 28 HN ASN 28 92.102 13.761 4.665 193 HA ASN 28 HA ASN 28 94.355 13.344 4.155 194 HB2 ASN 28 HB2 ASN 28 94.614 15.924 4.414 195 HB3 ASN 28 HB1 ASN 28 95.258 15.552 6.008 196 HD21 ASN 28 HD21 ASN 28 96.247 12.898 4.840 197 HD22 ASN 28 HD22 ASN 28 97.685 13.312 4.048 198 H ARG 29 HN ARG 29 92.737 12.747 6.818 199 HA ARG 29 HA ARG 29 95.012 11.991 8.541 200 HB2 ARG 29 HB2 ARG 29 92.029 11.693 8.916 201 HB3 ARG 29 HB1 ARG 29 93.252 11.293 10.122 202 HG2 ARG 29 HG2 ARG 29 93.994 13.593 10.220 203 HG3 ARG 29 HG1 ARG 29 92.931 14.036 8.894 204 HD2 ARG 29 HD2 ARG 29 91.661 14.693 10.748 205 HD3 ARG 29 HD1 ARG 29 91.039 13.069 10.448 206 HE ARG 29 HE ARG 29 93.132 12.657 12.214 207 HH11 ARG 29 HH11 ARG 29 92.847 12.663 14.457 208 HH12 ARG 29 HH12 ARG 29 91.523 13.543 15.145 209 HH21 ARG 29 HH21 ARG 29 90.325 14.651 12.085 210 HH22 ARG 29 HH22 ARG 29 90.093 14.667 13.801 211 H ASP 30 HN ASP 30 94.438 9.748 9.621 212 HA ASP 30 HA ASP 30 93.677 7.753 7.562 213 HB2 ASP 30 HB2 ASP 30 96.150 7.582 9.307 214 HB3 ASP 30 HB1 ASP 30 95.568 6.335 8.204 215 H VAL 31 HN VAL 31 92.033 6.715 8.408 216 HA VAL 31 HA VAL 31 91.982 6.211 11.364 217 HB VAL 31 HB VAL 31 89.651 6.239 9.426 218 HG11 VAL 31 HG11 VAL 31 89.916 6.133 12.442 219 HG12 VAL 31 HG12 VAL 31 89.217 4.905 11.388 220 HG13 VAL 31 HG13 VAL 31 88.395 6.450 11.611 221 HG21 VAL 31 HG21 VAL 31 90.534 8.383 11.398 222 HG22 VAL 31 HG22 VAL 31 89.131 8.457 10.333 223 HG23 VAL 31 HG23 VAL 31 90.757 8.486 9.652 224 H THR 32 HN THR 32 91.136 4.150 12.020 225 HA THR 32 HA THR 32 91.268 2.004 9.944 226 HB THR 32 HB THR 32 92.290 0.952 12.415 227 HG1 THR 32 HG1 THR 32 93.702 3.253 11.590 228 HG21 THR 32 HG21 THR 32 92.880 0.384 9.960 229 HG22 THR 32 HG22 THR 32 94.192 0.362 11.136 230 HG23 THR 32 HG23 THR 32 94.000 1.745 10.056 231 H LEU 33 HN LEU 33 89.631 0.551 10.128 232 HA LEU 33 HA LEU 33 87.809 0.776 12.493 233 HB2 LEU 33 HB2 LEU 33 87.387 0.340 9.555 234 HB3 LEU 33 HB1 LEU 33 86.211 -0.314 10.676 235 HG LEU 33 HG LEU 33 85.703 2.007 9.767 236 HD11 LEU 33 HD11 LEU 33 84.887 0.974 12.026 237 HD12 LEU 33 HD12 LEU 33 84.669 2.699 11.739 238 HD13 LEU 33 HD13 LEU 33 85.985 2.140 12.765 239 HD21 LEU 33 HD21 LEU 33 86.943 3.871 10.495 240 HD22 LEU 33 HD22 LEU 33 88.176 2.700 10.039 241 HD23 LEU 33 HD23 LEU 33 87.777 2.954 11.735 242 H ARG 34 HN ARG 34 88.132 -0.922 13.805 243 HA ARG 34 HA ARG 34 89.351 -3.401 13.114 244 HB2 ARG 34 HB2 ARG 34 88.992 -2.469 15.462 245 HB3 ARG 34 HB1 ARG 34 87.315 -2.974 15.317 246 HG2 ARG 34 HG2 ARG 34 88.326 -4.812 16.393 247 HG3 ARG 34 HG1 ARG 34 88.265 -5.306 14.704 248 HD2 ARG 34 HD2 ARG 34 90.574 -4.933 14.385 249 HD3 ARG 34 HD1 ARG 34 90.695 -3.914 15.803 250 HE ARG 34 HE ARG 34 89.913 -6.536 16.616 251 HH11 ARG 34 HH11 ARG 34 91.507 -7.826 17.590 252 HH12 ARG 34 HH12 ARG 34 93.178 -7.440 17.348 253 HH21 ARG 34 HH21 ARG 34 92.529 -4.693 15.337 254 HH22 ARG 34 HH22 ARG 34 93.756 -5.669 16.073 255 H VAL 35 HN VAL 35 88.435 -4.471 11.382 256 HA VAL 35 HA VAL 35 85.555 -5.275 11.637 257 HB VAL 35 HB VAL 35 85.436 -5.110 9.156 258 HG11 VAL 35 HG11 VAL 35 86.062 -2.654 10.806 259 HG12 VAL 35 HG12 VAL 35 84.476 -3.291 10.362 260 HG13 VAL 35 HG13 VAL 35 85.498 -2.540 9.137 261 HG21 VAL 35 HG21 VAL 35 87.767 -5.263 8.566 262 HG22 VAL 35 HG22 VAL 35 88.159 -3.840 9.528 263 HG23 VAL 35 HG23 VAL 35 87.197 -3.673 8.062 264 H THR 36 HN THR 36 85.303 -6.895 9.539 265 HA THR 36 HA THR 36 87.538 -8.844 9.520 266 HB THR 36 HB THR 36 85.722 -10.661 9.886 267 HG1 THR 36 HG1 THR 36 84.121 -8.780 9.850 268 HG21 THR 36 HG21 THR 36 87.404 -10.408 11.529 269 HG22 THR 36 HG22 THR 36 85.871 -10.366 12.399 270 HG23 THR 36 HG23 THR 36 86.736 -8.868 12.075 271 H GLY 37 HN GLY 37 86.749 -10.690 7.925 272 HA2 GLY 37 HA2 GLY 37 85.955 -9.337 5.474 273 HA3 GLY 37 HA1 GLY 37 86.399 -11.035 5.630 274 H GLU 38 HN GLU 38 83.918 -9.128 7.290 275 HA GLU 38 HA GLU 38 81.788 -10.644 5.904 276 HB2 GLU 38 HB2 GLU 38 80.702 -11.096 8.162 277 HB3 GLU 38 HB1 GLU 38 82.117 -12.078 7.784 278 HG2 GLU 38 HG2 GLU 38 83.515 -10.832 9.205 279 HG3 GLU 38 HG1 GLU 38 82.375 -9.487 9.300 280 H VAL 39 HN VAL 39 83.027 -7.765 6.997 281 HA VAL 39 HA VAL 39 80.435 -6.584 7.731 282 HB VAL 39 HB VAL 39 81.603 -4.713 8.459 283 HG11 VAL 39 HG11 VAL 39 83.303 -5.569 9.854 284 HG12 VAL 39 HG12 VAL 39 83.761 -6.799 8.673 285 HG13 VAL 39 HG13 VAL 39 82.240 -6.940 9.552 286 HG21 VAL 39 HG21 VAL 39 83.820 -5.513 6.540 287 HG22 VAL 39 HG22 VAL 39 83.961 -4.206 7.713 288 HG23 VAL 39 HG23 VAL 39 82.782 -4.090 6.421 289 H HIS 40 HN HIS 40 79.142 -5.576 6.281 290 HA HIS 40 HA HIS 40 79.825 -5.575 3.481 291 HB2 HIS 40 HB2 HIS 40 77.675 -3.801 4.630 292 HB3 HIS 40 HB1 HIS 40 77.686 -4.697 3.110 293 HD1 HIS 40 HD1 HIS 40 77.042 -5.097 6.777 294 HD2 HIS 40 HD2 HIS 40 77.028 -7.467 3.348 295 HE1 HIS 40 HE1 HIS 40 75.920 -7.276 7.417 296 H ILE 41 HN ILE 41 80.513 -3.839 2.169 297 HA ILE 41 HA ILE 41 82.341 -1.971 3.122 298 HB ILE 41 HB ILE 41 80.410 -1.642 0.808 299 HG12 ILE 41 HG12 ILE 41 83.300 -2.536 0.811 300 HG13 ILE 41 HG11 ILE 41 81.932 -3.645 0.842 301 HG21 ILE 41 HG21 ILE 41 81.320 0.523 1.302 302 HG22 ILE 41 HG22 ILE 41 82.235 -0.115 -0.067 303 HG23 ILE 41 HG23 ILE 41 82.932 -0.147 1.558 304 HD11 ILE 41 HD11 ILE 41 81.341 -3.210 -1.326 305 HD12 ILE 41 HD12 ILE 41 83.055 -2.823 -1.459 306 HD13 ILE 41 HD13 ILE 41 81.873 -1.531 -1.259 307 H GLY 42 HN GLY 42 78.943 -1.288 2.365 308 HA2 GLY 42 HA2 GLY 42 78.894 1.323 3.385 309 HA3 GLY 42 HA1 GLY 42 77.476 0.298 3.255 310 H GLY 43 HN GLY 43 79.212 -1.630 4.957 311 HA2 GLY 43 HA2 GLY 43 78.039 -0.840 7.510 312 HA3 GLY 43 HA1 GLY 43 79.043 -2.262 7.220 313 H VAL 44 HN VAL 44 81.016 -0.311 5.875 314 HA VAL 44 HA VAL 44 82.578 0.203 8.320 315 HB VAL 44 HB VAL 44 83.093 0.345 5.345 316 HG11 VAL 44 HG11 VAL 44 84.171 2.365 6.049 317 HG12 VAL 44 HG12 VAL 44 85.443 1.146 5.982 318 HG13 VAL 44 HG13 VAL 44 84.755 1.618 7.536 319 HG21 VAL 44 HG21 VAL 44 83.384 -1.782 6.583 320 HG22 VAL 44 HG22 VAL 44 84.546 -0.989 7.647 321 HG23 VAL 44 HG23 VAL 44 84.913 -1.188 5.934 322 H MET 45 HN MET 45 81.288 2.206 5.606 323 HA MET 45 HA MET 45 82.086 4.710 6.597 324 HB2 MET 45 HB2 MET 45 79.295 4.454 5.501 325 HB3 MET 45 HB1 MET 45 80.523 5.677 5.171 326 HG2 MET 45 HG2 MET 45 81.856 3.869 4.002 327 HG3 MET 45 HG1 MET 45 80.438 2.840 4.144 328 HE1 MET 45 HE1 MET 45 78.240 3.471 3.666 329 HE2 MET 45 HE2 MET 45 78.419 3.023 1.967 330 HE3 MET 45 HE3 MET 45 77.658 4.559 2.402 331 H LEU 46 HN LEU 46 79.322 2.712 7.529 332 HA LEU 46 HA LEU 46 78.044 4.534 9.294 333 HB2 LEU 46 HB2 LEU 46 77.148 2.303 8.562 334 HB3 LEU 46 HB1 LEU 46 78.310 1.524 9.627 335 HG LEU 46 HG LEU 46 76.657 3.634 10.943 336 HD11 LEU 46 HD11 LEU 46 75.386 1.246 9.625 337 HD12 LEU 46 HD12 LEU 46 74.754 2.876 9.862 338 HD13 LEU 46 HD13 LEU 46 74.798 1.750 11.211 339 HD21 LEU 46 HD21 LEU 46 78.320 1.946 11.990 340 HD22 LEU 46 HD22 LEU 46 77.042 0.752 11.773 341 HD23 LEU 46 HD23 LEU 46 76.767 2.161 12.797 342 H LYS 47 HN LYS 47 80.501 2.038 10.064 343 HA LYS 47 HA LYS 47 80.813 2.929 12.777 344 HB2 LYS 47 HB2 LYS 47 82.837 1.470 11.064 345 HB3 LYS 47 HB1 LYS 47 82.769 1.496 12.828 346 HG2 LYS 47 HG2 LYS 47 80.632 0.326 12.797 347 HG3 LYS 47 HG1 LYS 47 80.595 0.400 11.035 348 HD2 LYS 47 HD2 LYS 47 82.813 -0.867 11.064 349 HD3 LYS 47 HD1 LYS 47 82.515 -1.156 12.778 350 HE2 LYS 47 HE2 LYS 47 80.550 -1.891 10.591 351 HE3 LYS 47 HE1 LYS 47 81.731 -3.015 11.264 352 HZ1 LYS 47 HZ1 LYS 47 79.300 -1.955 12.442 353 HZ2 LYS 47 HZ2 LYS 47 80.636 -2.050 13.488 354 HZ3 LYS 47 HZ3 LYS 47 80.071 -3.444 12.696 355 H LEU 48 HN LEU 48 82.914 3.447 9.913 356 HA LEU 48 HA LEU 48 84.910 4.999 11.011 357 HB2 LEU 48 HB2 LEU 48 84.958 4.416 8.672 358 HB3 LEU 48 HB1 LEU 48 83.482 5.314 8.359 359 HG LEU 48 HG LEU 48 84.711 7.439 8.904 360 HD11 LEU 48 HD11 LEU 48 87.180 7.343 8.955 361 HD12 LEU 48 HD12 LEU 48 87.094 5.586 9.002 362 HD13 LEU 48 HD13 LEU 48 86.461 6.536 10.347 363 HD21 LEU 48 HD21 LEU 48 84.532 6.864 6.590 364 HD22 LEU 48 HD22 LEU 48 85.766 5.612 6.743 365 HD23 LEU 48 HD23 LEU 48 86.220 7.314 6.850 366 H VAL 49 HN VAL 49 81.642 6.141 10.140 367 HA VAL 49 HA VAL 49 82.251 8.890 10.918 368 HB VAL 49 HB VAL 49 79.633 7.474 10.356 369 HG11 VAL 49 HG11 VAL 49 80.260 10.361 11.007 370 HG12 VAL 49 HG12 VAL 49 79.086 9.303 11.790 371 HG13 VAL 49 HG13 VAL 49 78.793 9.885 10.152 372 HG21 VAL 49 HG21 VAL 49 81.361 9.394 8.765 373 HG22 VAL 49 HG22 VAL 49 79.745 8.880 8.284 374 HG23 VAL 49 HG23 VAL 49 81.049 7.698 8.388 375 H GLU 50 HN GLU 50 80.407 6.203 12.381 376 HA GLU 50 HA GLU 50 79.378 7.400 14.655 377 HB2 GLU 50 HB2 GLU 50 80.674 4.699 14.283 378 HB3 GLU 50 HB1 GLU 50 79.965 5.168 15.825 379 HG2 GLU 50 HG2 GLU 50 78.438 5.322 13.214 380 HG3 GLU 50 HG1 GLU 50 78.419 3.896 14.252 381 H LYS 51 HN LYS 51 82.737 6.468 14.085 382 HA LYS 51 HA LYS 51 83.606 7.129 16.763 383 HB2 LYS 51 HB2 LYS 51 85.226 6.829 14.235 384 HB3 LYS 51 HB1 LYS 51 85.836 6.772 15.890 385 HG2 LYS 51 HG2 LYS 51 84.145 4.877 16.279 386 HG3 LYS 51 HG1 LYS 51 83.987 4.823 14.525 387 HD2 LYS 51 HD2 LYS 51 86.495 4.375 16.155 388 HD3 LYS 51 HD1 LYS 51 85.633 3.204 15.169 389 HE2 LYS 51 HE2 LYS 51 87.471 3.875 13.834 390 HE3 LYS 51 HE1 LYS 51 86.096 4.767 13.185 391 HZ1 LYS 51 HZ1 LYS 51 87.419 6.125 15.338 392 HZ2 LYS 51 HZ2 LYS 51 86.985 6.698 13.799 393 HZ3 LYS 51 HZ3 LYS 51 88.441 5.850 14.014 394 H LEU 52 HN LEU 52 83.636 8.862 13.637 395 HA LEU 52 HA LEU 52 85.191 11.058 14.485 396 HB2 LEU 52 HB2 LEU 52 83.851 10.205 12.158 397 HB3 LEU 52 HB1 LEU 52 83.088 11.730 12.553 398 HG LEU 52 HG LEU 52 84.915 12.221 11.113 399 HD11 LEU 52 HD11 LEU 52 84.657 13.428 13.530 400 HD12 LEU 52 HD12 LEU 52 85.833 13.933 12.320 401 HD13 LEU 52 HD13 LEU 52 86.330 12.884 13.644 402 HD21 LEU 52 HD21 LEU 52 86.086 9.962 11.718 403 HD22 LEU 52 HD22 LEU 52 86.911 10.915 12.950 404 HD23 LEU 52 HD23 LEU 52 87.082 11.337 11.249 405 H ASP 53 HN ASP 53 81.682 11.068 13.970 406 HA ASP 53 HA ASP 53 79.945 11.956 15.232 407 HB2 ASP 53 HB2 ASP 53 81.572 11.132 17.104 408 HB3 ASP 53 HB1 ASP 53 81.865 12.840 17.352 409 H VAL 54 HN VAL 54 79.938 13.510 13.528 410 HA VAL 54 HA VAL 54 80.016 16.216 14.474 411 HB VAL 54 HB VAL 54 82.379 16.069 14.249 412 HG11 VAL 54 HG11 VAL 54 82.474 14.003 12.970 413 HG12 VAL 54 HG12 VAL 54 83.439 15.243 12.167 414 HG13 VAL 54 HG13 VAL 54 81.842 14.827 11.543 415 HG21 VAL 54 HG21 VAL 54 81.235 18.074 13.178 416 HG22 VAL 54 HG22 VAL 54 81.428 17.260 11.626 417 HG23 VAL 54 HG23 VAL 54 82.849 17.725 12.559 418 H LYS 55 HN LYS 55 78.808 17.533 13.120 419 HA LYS 55 HA LYS 55 77.185 16.218 11.156 420 HB2 LYS 55 HB2 LYS 55 77.553 19.137 11.842 421 HB3 LYS 55 HB1 LYS 55 76.394 18.565 10.642 422 HG2 LYS 55 HG2 LYS 55 75.727 16.934 12.740 423 HG3 LYS 55 HG1 LYS 55 76.302 18.340 13.621 424 HD2 LYS 55 HD2 LYS 55 74.762 19.773 12.297 425 HD3 LYS 55 HD1 LYS 55 74.160 18.326 11.485 426 HE2 LYS 55 HE2 LYS 55 72.615 18.723 13.248 427 HE3 LYS 55 HE1 LYS 55 73.649 17.417 13.825 428 HZ1 LYS 55 HZ1 LYS 55 75.018 19.123 14.944 429 HZ2 LYS 55 HZ2 LYS 55 73.431 19.035 15.546 430 HZ3 LYS 55 HZ3 LYS 55 73.877 20.297 14.499 431 H LYS 56 HN LYS 56 80.068 16.102 10.532 432 HA LYS 56 HA LYS 56 80.381 17.874 8.209 433 HB2 LYS 56 HB2 LYS 56 82.357 17.178 9.482 434 HB3 LYS 56 HB1 LYS 56 82.010 15.497 9.137 435 HG2 LYS 56 HG2 LYS 56 83.232 15.654 7.214 436 HG3 LYS 56 HG1 LYS 56 82.085 16.833 6.598 437 HD2 LYS 56 HD2 LYS 56 84.127 17.981 6.498 438 HD3 LYS 56 HD1 LYS 56 83.433 18.566 8.006 439 HE2 LYS 56 HE2 LYS 56 85.793 17.967 8.332 440 HE3 LYS 56 HE1 LYS 56 84.766 16.870 9.251 441 HZ1 LYS 56 HZ1 LYS 56 86.680 16.098 7.534 442 HZ2 LYS 56 HZ2 LYS 56 85.299 16.020 6.547 443 HZ3 LYS 56 HZ3 LYS 56 85.362 15.138 7.998 444 H ASP 57 HN ASP 57 80.103 17.273 6.073 445 HA ASP 57 HA ASP 57 78.135 15.329 5.449 446 HB2 ASP 57 HB2 ASP 57 80.214 16.655 3.687 447 HB3 ASP 57 HB1 ASP 57 78.857 15.707 3.082 448 H TRP 58 HN TRP 58 78.377 13.159 5.603 449 HA TRP 58 HA TRP 58 81.018 11.935 4.890 450 HB2 TRP 58 HB2 TRP 58 78.895 10.951 6.788 451 HB3 TRP 58 HB1 TRP 58 80.388 10.124 6.408 452 HD1 TRP 58 HD1 TRP 58 78.961 12.241 8.926 453 HE1 TRP 58 HE1 TRP 58 80.769 13.396 10.341 454 HE3 TRP 58 HE3 TRP 58 83.062 11.476 5.969 455 HZ2 TRP 58 HZ2 TRP 58 83.568 13.922 10.247 456 HZ3 TRP 58 HZ3 TRP 58 85.281 12.309 6.665 457 HH2 TRP 58 HH2 TRP 58 85.536 13.532 8.804 458 H SER 59 HN SER 59 77.479 11.450 4.879 459 HA SER 59 HA SER 59 77.305 9.035 3.504 460 HB2 SER 59 HB2 SER 59 75.358 10.379 4.346 461 HB3 SER 59 HB1 SER 59 75.537 11.430 2.943 462 HG SER 59 HG SER 59 74.282 9.984 2.052 463 H ASP 60 HN ASP 60 77.347 12.257 1.926 464 HA ASP 60 HA ASP 60 77.454 11.365 -0.733 465 HB2 ASP 60 HB2 ASP 60 77.222 13.720 -0.275 466 HB3 ASP 60 HB1 ASP 60 78.761 13.762 0.582 467 H HIS 61 HN HIS 61 80.048 11.617 1.650 468 HA HIS 61 HA HIS 61 82.149 10.956 -0.187 469 HB2 HIS 61 HB2 HIS 61 82.017 10.822 2.830 470 HB3 HIS 61 HB1 HIS 61 83.482 10.598 1.902 471 HD1 HIS 61 HD1 HIS 61 84.519 12.745 2.987 472 HD2 HIS 61 HD2 HIS 61 81.072 13.466 0.757 473 HE1 HIS 61 HE1 HIS 61 84.379 15.253 2.672 474 H ALA 62 HN ALA 62 82.741 9.051 -0.941 475 HA ALA 62 HA ALA 62 81.800 6.552 0.412 476 HB1 ALA 62 HB1 ALA 62 80.689 7.178 -1.832 477 HB2 ALA 62 HB2 ALA 62 81.404 5.568 -1.726 478 HB3 ALA 62 HB3 ALA 62 82.261 6.863 -2.565 479 H LEU 63 HN LEU 63 83.364 4.725 0.045 480 HA LEU 63 HA LEU 63 86.123 5.804 -0.119 481 HB2 LEU 63 HB2 LEU 63 86.428 3.194 0.792 482 HB3 LEU 63 HB1 LEU 63 86.331 4.609 1.825 483 HG LEU 63 HG LEU 63 83.804 4.323 1.790 484 HD11 LEU 63 HD11 LEU 63 84.634 1.685 0.668 485 HD12 LEU 63 HD12 LEU 63 83.822 2.964 -0.238 486 HD13 LEU 63 HD13 LEU 63 82.989 2.158 1.091 487 HD21 LEU 63 HD21 LEU 63 85.297 1.946 2.899 488 HD22 LEU 63 HD22 LEU 63 83.782 2.636 3.492 489 HD23 LEU 63 HD23 LEU 63 85.294 3.534 3.670 490 H TRP 64 HN TRP 64 87.699 4.879 -1.357 491 HA TRP 64 HA TRP 64 86.798 3.137 -3.641 492 HB2 TRP 64 HB2 TRP 64 87.341 4.852 -5.063 493 HB3 TRP 64 HB1 TRP 64 87.403 5.875 -3.665 494 HD1 TRP 64 HD1 TRP 64 90.144 5.215 -2.392 495 HE1 TRP 64 HE1 TRP 64 92.341 5.693 -3.641 496 HE3 TRP 64 HE3 TRP 64 88.389 5.465 -7.178 497 HZ2 TRP 64 HZ2 TRP 64 93.231 6.173 -6.319 498 HZ3 TRP 64 HZ3 TRP 64 89.927 5.962 -9.056 499 HH2 TRP 64 HH2 TRP 64 92.343 6.317 -8.633 500 H TRP 65 HN TRP 65 88.450 1.706 -4.464 501 HA TRP 65 HA TRP 65 90.602 1.136 -2.486 502 HB2 TRP 65 HB2 TRP 65 88.935 -0.654 -3.276 503 HB3 TRP 65 HB1 TRP 65 89.800 -0.618 -4.807 504 HD1 TRP 65 HD1 TRP 65 92.491 0.033 -2.581 505 HE1 TRP 65 HE1 TRP 65 93.707 -2.099 -1.824 506 HE3 TRP 65 HE3 TRP 65 89.009 -3.474 -3.883 507 HZ2 TRP 65 HZ2 TRP 65 93.274 -4.927 -1.794 508 HZ3 TRP 65 HZ3 TRP 65 89.446 -5.879 -3.483 509 HH2 TRP 65 HH2 TRP 65 91.571 -6.609 -2.439 510 H GLU 66 HN GLU 66 92.133 2.744 -3.192 511 HA GLU 66 HA GLU 66 92.841 3.301 -5.856 512 HB2 GLU 66 HB2 GLU 66 95.098 3.945 -4.906 513 HB3 GLU 66 HB1 GLU 66 93.704 4.699 -4.147 514 HG2 GLU 66 HG2 GLU 66 93.750 2.976 -2.369 515 HG3 GLU 66 HG1 GLU 66 95.170 2.268 -3.127 516 H LYS 67 HN LYS 67 93.629 0.446 -3.984 517 HA LYS 67 HA LYS 67 95.912 -0.305 -5.600 518 HB2 LYS 67 HB2 LYS 67 93.970 -2.217 -4.275 519 HB3 LYS 67 HB1 LYS 67 95.645 -2.534 -4.705 520 HG2 LYS 67 HG2 LYS 67 94.699 -0.562 -2.610 521 HG3 LYS 67 HG1 LYS 67 95.439 -2.127 -2.295 522 HD2 LYS 67 HD2 LYS 67 97.413 -1.231 -3.733 523 HD3 LYS 67 HD1 LYS 67 96.689 0.353 -3.457 524 HE2 LYS 67 HE2 LYS 67 98.049 0.290 -1.590 525 HE3 LYS 67 HE1 LYS 67 96.667 -0.575 -0.910 526 HZ1 LYS 67 HZ1 LYS 67 98.521 -2.217 -2.405 527 HZ2 LYS 67 HZ2 LYS 67 97.776 -2.502 -0.905 528 HZ3 LYS 67 HZ3 LYS 67 99.168 -1.533 -0.994 529 H LYS 68 HN LYS 68 92.660 0.075 -6.129 530 HA LYS 68 HA LYS 68 92.714 -1.456 -8.683 531 HB2 LYS 68 HB2 LYS 68 90.170 -1.172 -7.098 532 HB3 LYS 68 HB1 LYS 68 90.612 -2.402 -8.279 533 HG2 LYS 68 HG2 LYS 68 92.000 -2.180 -5.588 534 HG3 LYS 68 HG1 LYS 68 90.548 -3.122 -5.833 535 HD2 LYS 68 HD2 LYS 68 91.589 -4.595 -7.360 536 HD3 LYS 68 HD1 LYS 68 92.945 -3.500 -7.613 537 HE2 LYS 68 HE2 LYS 68 93.971 -4.091 -5.618 538 HE3 LYS 68 HE1 LYS 68 92.457 -4.542 -4.839 539 HZ1 LYS 68 HZ1 LYS 68 92.503 -6.327 -6.771 540 HZ2 LYS 68 HZ2 LYS 68 93.259 -6.594 -5.273 541 HZ3 LYS 68 HZ3 LYS 68 94.175 -6.092 -6.613 542 H ARG 69 HN ARG 69 92.161 1.466 -7.026 543 HA ARG 69 HA ARG 69 91.216 3.506 -7.693 544 HB2 ARG 69 HB2 ARG 69 91.928 2.304 -10.396 545 HB3 ARG 69 HB1 ARG 69 91.305 3.933 -10.203 546 HG2 ARG 69 HG2 ARG 69 93.599 4.346 -10.189 547 HG3 ARG 69 HG1 ARG 69 93.290 4.179 -8.465 548 HD2 ARG 69 HD2 ARG 69 95.221 2.841 -8.978 549 HD3 ARG 69 HD1 ARG 69 93.880 1.742 -8.689 550 HE ARG 69 HE ARG 69 94.030 2.341 -11.485 551 HH11 ARG 69 HH11 ARG 69 94.884 0.744 -12.844 552 HH12 ARG 69 HH12 ARG 69 95.854 -0.521 -12.166 553 HH21 ARG 69 HH21 ARG 69 95.601 0.664 -8.917 554 HH22 ARG 69 HH22 ARG 69 96.262 -0.565 -9.943 555 H THR 70 HN THR 70 89.425 1.557 -6.979 556 HA THR 70 HA THR 70 87.253 1.666 -9.049 557 HB THR 70 HB THR 70 88.172 -0.559 -8.135 558 HG1 THR 70 HG1 THR 70 86.099 -0.157 -9.187 559 HG21 THR 70 HG21 THR 70 86.322 -0.187 -5.828 560 HG22 THR 70 HG22 THR 70 87.951 0.474 -5.694 561 HG23 THR 70 HG23 THR 70 87.720 -1.251 -5.980 562 H TRP 71 HN TRP 71 85.101 1.200 -7.549 563 HA TRP 71 HA TRP 71 85.014 3.279 -5.418 564 HB2 TRP 71 HB2 TRP 71 82.494 3.431 -6.416 565 HB3 TRP 71 HB1 TRP 71 83.790 4.476 -6.976 566 HD1 TRP 71 HD1 TRP 71 82.509 0.925 -7.904 567 HE1 TRP 71 HE1 TRP 71 82.584 0.693 -10.424 568 HE3 TRP 71 HE3 TRP 71 84.410 5.499 -9.132 569 HZ2 TRP 71 HZ2 TRP 71 83.347 2.233 -12.725 570 HZ3 TRP 71 HZ3 TRP 71 84.800 6.088 -11.507 571 HH2 TRP 71 HH2 TRP 71 84.271 4.463 -13.305 572 H LEU 72 HN LEU 72 84.885 1.914 -3.721 573 HA LEU 72 HA LEU 72 83.806 -0.702 -3.841 574 HB2 LEU 72 HB2 LEU 72 84.066 1.046 -1.421 575 HB3 LEU 72 HB1 LEU 72 84.046 -0.705 -1.431 576 HG LEU 72 HG LEU 72 86.110 0.822 -3.025 577 HD11 LEU 72 HD11 LEU 72 86.358 1.748 -0.867 578 HD12 LEU 72 HD12 LEU 72 87.638 0.555 -1.061 579 HD13 LEU 72 HD13 LEU 72 86.213 0.173 -0.091 580 HD21 LEU 72 HD21 LEU 72 86.699 -1.270 -3.587 581 HD22 LEU 72 HD22 LEU 72 85.611 -1.989 -2.403 582 HD23 LEU 72 HD23 LEU 72 87.233 -1.503 -1.922 583 H LEU 73 HN LEU 73 81.804 -0.369 -4.904 584 HA LEU 73 HA LEU 73 79.582 0.607 -3.148 585 HB2 LEU 73 HB2 LEU 73 78.245 0.800 -5.288 586 HB3 LEU 73 HB1 LEU 73 79.573 1.942 -5.135 587 HG LEU 73 HG LEU 73 80.892 -0.011 -6.464 588 HD11 LEU 73 HD11 LEU 73 79.541 -1.138 -8.073 589 HD12 LEU 73 HD12 LEU 73 78.111 -0.197 -7.643 590 HD13 LEU 73 HD13 LEU 73 78.734 -1.404 -6.530 591 HD21 LEU 73 HD21 LEU 73 80.724 2.285 -7.249 592 HD22 LEU 73 HD22 LEU 73 79.035 2.056 -7.677 593 HD23 LEU 73 HD23 LEU 73 80.293 1.210 -8.575 594 H LYS 74 HN LYS 74 81.075 -2.090 -3.595 595 HA LYS 74 HA LYS 74 78.883 -3.840 -4.481 596 HB2 LYS 74 HB2 LYS 74 81.744 -4.214 -3.637 597 HB3 LYS 74 HB1 LYS 74 80.663 -5.593 -3.511 598 HG2 LYS 74 HG2 LYS 74 81.790 -5.593 -5.694 599 HG3 LYS 74 HG1 LYS 74 80.058 -5.359 -5.888 600 HD2 LYS 74 HD2 LYS 74 81.333 -3.815 -7.327 601 HD3 LYS 74 HD1 LYS 74 80.393 -2.941 -6.123 602 HE2 LYS 74 HE2 LYS 74 82.924 -2.306 -6.531 603 HE3 LYS 74 HE1 LYS 74 82.273 -2.326 -4.898 604 HZ1 LYS 74 HZ1 LYS 74 83.046 -4.708 -4.810 605 HZ2 LYS 74 HZ2 LYS 74 84.258 -3.522 -4.799 606 HZ3 LYS 74 HZ3 LYS 74 83.926 -4.386 -6.224 607 H THR 75 HN THR 75 77.681 -2.578 -2.561 608 HA THR 75 HA THR 75 78.233 -3.578 0.110 609 HB THR 75 HB THR 75 75.527 -2.473 -0.583 610 HG1 THR 75 HG1 THR 75 76.735 -1.175 -1.855 611 HG21 THR 75 HG21 THR 75 77.364 -1.333 1.486 612 HG22 THR 75 HG22 THR 75 76.713 -2.949 1.781 613 HG23 THR 75 HG23 THR 75 75.620 -1.583 1.555 614 H HIS 76 HN HIS 76 76.888 -5.009 -2.591 615 HA HIS 76 HA HIS 76 74.698 -6.470 -1.437 616 HB2 HIS 76 HB2 HIS 76 76.443 -7.225 -3.795 617 HB3 HIS 76 HB1 HIS 76 74.845 -7.875 -3.433 618 HD1 HIS 76 HD1 HIS 76 76.225 -4.313 -3.646 619 HD2 HIS 76 HD2 HIS 76 73.033 -6.593 -5.055 620 HE1 HIS 76 HE1 HIS 76 74.787 -2.753 -5.030 621 H TRP 77 HN TRP 77 78.047 -7.504 -2.166 622 HA TRP 77 HA TRP 77 77.629 -9.895 -0.435 623 HB2 TRP 77 HB2 TRP 77 79.694 -9.135 -2.491 624 HB3 TRP 77 HB1 TRP 77 79.966 -10.480 -1.393 625 HD1 TRP 77 HD1 TRP 77 77.874 -12.328 -1.339 626 HE1 TRP 77 HE1 TRP 77 76.598 -13.291 -3.350 627 HE3 TRP 77 HE3 TRP 77 78.911 -8.756 -4.837 628 HZ2 TRP 77 HZ2 TRP 77 76.074 -12.640 -6.088 629 HZ3 TRP 77 HZ3 TRP 77 78.011 -8.952 -7.138 630 HH2 TRP 77 HH2 TRP 77 76.594 -10.888 -7.768 631 H THR 78 HN THR 78 80.891 -9.527 -0.323 632 HA THR 78 HA THR 78 80.970 -7.475 1.780 633 HB THR 78 HB THR 78 82.099 -9.975 2.857 634 HG1 THR 78 HG1 THR 78 80.261 -10.675 1.510 635 HG21 THR 78 HG21 THR 78 81.714 -8.323 4.470 636 HG22 THR 78 HG22 THR 78 80.316 -9.379 4.676 637 HG23 THR 78 HG23 THR 78 80.143 -7.871 3.796 638 H LEU 79 HN LEU 79 83.117 -6.883 2.286 639 HA LEU 79 HA LEU 79 84.965 -6.755 0.292 640 HB2 LEU 79 HB2 LEU 79 86.605 -6.257 1.885 641 HB3 LEU 79 HB1 LEU 79 85.116 -5.569 2.380 642 HG LEU 79 HG LEU 79 86.328 -8.082 3.441 643 HD11 LEU 79 HD11 LEU 79 87.432 -5.897 4.048 644 HD12 LEU 79 HD12 LEU 79 86.826 -6.822 5.423 645 HD13 LEU 79 HD13 LEU 79 85.915 -5.437 4.823 646 HD21 LEU 79 HD21 LEU 79 83.991 -8.382 3.774 647 HD22 LEU 79 HD22 LEU 79 83.727 -6.658 3.967 648 HD23 LEU 79 HD23 LEU 79 84.471 -7.580 5.269 649 H ASP 80 HN ASP 80 84.953 -9.343 2.709 650 HA ASP 80 HA ASP 80 87.130 -10.858 1.872 651 HB2 ASP 80 HB2 ASP 80 85.358 -11.318 3.669 652 HB3 ASP 80 HB1 ASP 80 84.432 -12.103 2.408 653 H LYS 81 HN LYS 81 83.969 -10.526 0.373 654 HA LYS 81 HA LYS 81 84.384 -12.625 -1.550 655 HB2 LYS 81 HB2 LYS 81 82.198 -12.287 -1.982 656 HB3 LYS 81 HB1 LYS 81 82.228 -10.940 -0.862 657 HG2 LYS 81 HG2 LYS 81 83.055 -10.561 -3.753 658 HG3 LYS 81 HG1 LYS 81 81.375 -10.537 -3.273 659 HD2 LYS 81 HD2 LYS 81 81.838 -8.778 -1.645 660 HD3 LYS 81 HD1 LYS 81 83.519 -8.762 -2.108 661 HE2 LYS 81 HE2 LYS 81 82.607 -8.349 -4.521 662 HE3 LYS 81 HE1 LYS 81 81.140 -7.859 -3.679 663 HZ1 LYS 81 HZ1 LYS 81 82.533 -6.329 -2.348 664 HZ2 LYS 81 HZ2 LYS 81 82.495 -5.946 -4.003 665 HZ3 LYS 81 HZ3 LYS 81 83.854 -6.719 -3.338 666 H TYR 82 HN TYR 82 85.260 -9.303 -1.336 667 HA TYR 82 HA TYR 82 86.206 -9.159 -4.107 668 HB2 TYR 82 HB2 TYR 82 85.469 -7.239 -2.380 669 HB3 TYR 82 HB1 TYR 82 87.175 -7.275 -1.977 670 HD1 TYR 82 HD1 TYR 82 85.476 -5.030 -3.331 671 HD2 TYR 82 HD2 TYR 82 88.100 -8.054 -4.893 672 HE1 TYR 82 HE1 TYR 82 85.955 -3.611 -5.307 673 HE2 TYR 82 HE2 TYR 82 88.565 -6.639 -6.860 674 HH TYR 82 HH TYR 82 88.258 -4.659 -7.810 675 H GLY 83 HN GLY 83 87.706 -9.302 -0.846 676 HA2 GLY 83 HA2 GLY 83 89.532 -11.095 -0.642 677 HA3 GLY 83 HA1 GLY 83 90.185 -10.475 -2.159 678 H ILE 84 HN ILE 84 88.854 -8.069 -0.307 679 HA ILE 84 HA ILE 84 91.236 -6.577 0.095 680 HB ILE 84 HB ILE 84 88.515 -6.591 1.323 681 HG12 ILE 84 HG12 ILE 84 89.632 -4.536 -0.565 682 HG13 ILE 84 HG11 ILE 84 88.919 -6.036 -1.150 683 HG21 ILE 84 HG21 ILE 84 90.609 -4.456 1.640 684 HG22 ILE 84 HG22 ILE 84 89.953 -5.479 2.921 685 HG23 ILE 84 HG23 ILE 84 88.918 -4.309 2.116 686 HD11 ILE 84 HD11 ILE 84 86.795 -5.509 -0.323 687 HD12 ILE 84 HD12 ILE 84 87.378 -3.948 -0.891 688 HD13 ILE 84 HD13 ILE 84 87.422 -4.334 0.830 689 H GLN 85 HN GLN 85 92.185 -6.027 2.243 690 HA GLN 85 HA GLN 85 91.640 -7.741 4.522 691 HB2 GLN 85 HB2 GLN 85 93.216 -8.983 2.727 692 HB3 GLN 85 HB1 GLN 85 94.458 -8.042 3.540 693 HG2 GLN 85 HG2 GLN 85 94.467 -9.930 4.903 694 HG3 GLN 85 HG1 GLN 85 93.236 -8.979 5.737 695 HE21 GLN 85 HE21 GLN 85 91.066 -9.310 3.968 696 HE22 GLN 85 HE22 GLN 85 90.602 -10.935 3.961 697 H ALA 86 HN ALA 86 94.209 -7.409 5.750 698 HA ALA 86 HA ALA 86 93.968 -4.658 6.643 699 HB1 ALA 86 HB1 ALA 86 94.701 -6.267 8.253 700 HB2 ALA 86 HB2 ALA 86 96.110 -5.265 7.903 701 HB3 ALA 86 HB3 ALA 86 95.961 -6.865 7.174 702 H ASP 87 HN ASP 87 95.912 -6.344 4.295 703 HA ASP 87 HA ASP 87 97.920 -4.236 4.081 704 HB2 ASP 87 HB2 ASP 87 98.457 -5.582 1.923 705 HB3 ASP 87 HB1 ASP 87 98.712 -6.376 3.479 706 H ALA 88 HN ALA 88 94.742 -4.412 3.227 707 HA ALA 88 HA ALA 88 95.020 -2.911 0.673 708 HB1 ALA 88 HB1 ALA 88 92.829 -4.352 2.125 709 HB2 ALA 88 HB2 ALA 88 93.416 -4.615 0.489 710 HB3 ALA 88 HB3 ALA 88 92.425 -3.199 0.851 711 H LYS 89 HN LYS 89 95.232 -0.706 0.998 712 HA LYS 89 HA LYS 89 93.903 0.515 3.371 713 HB2 LYS 89 HB2 LYS 89 95.666 2.044 1.474 714 HB3 LYS 89 HB1 LYS 89 95.386 2.306 3.194 715 HG2 LYS 89 HG2 LYS 89 96.849 -0.101 2.066 716 HG3 LYS 89 HG1 LYS 89 97.634 1.350 2.648 717 HD2 LYS 89 HD2 LYS 89 97.005 0.983 4.879 718 HD3 LYS 89 HD1 LYS 89 95.714 -0.124 4.431 719 HE2 LYS 89 HE2 LYS 89 97.707 -1.293 5.374 720 HE3 LYS 89 HE1 LYS 89 97.303 -1.797 3.732 721 HZ1 LYS 89 HZ1 LYS 89 99.678 -1.385 3.993 722 HZ2 LYS 89 HZ2 LYS 89 99.359 0.221 4.448 723 HZ3 LYS 89 HZ3 LYS 89 98.985 -0.311 2.878 724 H LEU 90 HN LEU 90 91.963 1.241 3.106 725 HA LEU 90 HA LEU 90 90.998 2.115 0.445 726 HB2 LEU 90 HB2 LEU 90 89.344 2.124 2.957 727 HB3 LEU 90 HB1 LEU 90 88.822 1.904 1.288 728 HG LEU 90 HG LEU 90 90.420 -0.039 2.959 729 HD11 LEU 90 HD11 LEU 90 87.599 0.003 1.880 730 HD12 LEU 90 HD12 LEU 90 88.125 -0.207 3.550 731 HD13 LEU 90 HD13 LEU 90 88.384 -1.497 2.377 732 HD21 LEU 90 HD21 LEU 90 91.289 -0.253 0.754 733 HD22 LEU 90 HD22 LEU 90 89.699 -0.027 0.020 734 HD23 LEU 90 HD23 LEU 90 90.073 -1.523 0.883 735 H GLN 91 HN GLN 91 89.464 4.167 0.682 736 HA GLN 91 HA GLN 91 90.697 6.203 2.497 737 HB2 GLN 91 HB2 GLN 91 90.161 6.954 -0.378 738 HB3 GLN 91 HB1 GLN 91 91.178 7.766 0.799 739 HG2 GLN 91 HG2 GLN 91 92.976 6.318 0.443 740 HG3 GLN 91 HG1 GLN 91 91.964 5.037 -0.141 741 HE21 GLN 91 HE21 GLN 91 91.013 7.968 -1.539 742 HE22 GLN 91 HE22 GLN 91 91.830 7.783 -3.000 743 H PHE 92 HN PHE 92 89.135 7.893 2.963 744 HA PHE 92 HA PHE 92 86.398 7.316 1.865 745 HB2 PHE 92 HB2 PHE 92 86.897 7.071 4.411 746 HB3 PHE 92 HB1 PHE 92 86.857 8.820 4.450 747 HD1 PHE 92 HD1 PHE 92 84.917 5.961 3.006 748 HD2 PHE 92 HD2 PHE 92 84.742 9.822 4.866 749 HE1 PHE 92 HE1 PHE 92 82.452 5.852 2.976 750 HE2 PHE 92 HE2 PHE 92 82.256 9.693 4.846 751 HZ PHE 92 HZ PHE 92 81.119 7.718 3.903 752 H THR 93 HN THR 93 86.638 8.562 0.082 753 HA THR 93 HA THR 93 87.170 11.485 0.426 754 HB THR 93 HB THR 93 88.222 11.425 -1.619 755 HG1 THR 93 HG1 THR 93 87.056 9.575 -3.067 756 HG21 THR 93 HG21 THR 93 88.977 9.301 -0.368 757 HG22 THR 93 HG22 THR 93 89.323 9.393 -2.094 758 HG23 THR 93 HG23 THR 93 87.968 8.424 -1.516 759 HA PRO 94 HA PRO 94 83.147 12.849 -0.868 760 HB2 PRO 94 HB2 PRO 94 84.031 13.598 -3.631 761 HB3 PRO 94 HB1 PRO 94 83.259 14.598 -2.382 762 HG2 PRO 94 HG2 PRO 94 85.834 14.880 -2.925 763 HG3 PRO 94 HG1 PRO 94 85.252 14.949 -1.250 764 HD2 PRO 94 HD2 PRO 94 86.624 12.687 -2.675 765 HD3 PRO 94 HD1 PRO 94 86.870 13.273 -1.014 766 H TYR 541 HT1 TYR 541 58.710 47.808 12.339 767 HA TYR 541 HA TYR 541 59.976 45.816 11.742 768 HB2 TYR 541 HB2 TYR 541 59.354 46.423 14.131 769 HB3 TYR 541 HB1 TYR 541 58.029 45.265 13.996 770 HD1 TYR 541 HD1 TYR 541 58.413 42.962 14.348 771 HD2 TYR 541 HD2 TYR 541 61.735 45.583 13.608 772 HE1 TYR 541 HE1 TYR 541 59.985 41.110 14.848 773 HE2 TYR 541 HE2 TYR 541 63.307 43.731 14.109 774 HH TYR 541 HH TYR 541 63.449 41.453 14.336 775 H HIS 542 HN HIS 542 59.941 43.758 10.858 776 HA HIS 542 HA HIS 542 57.415 42.851 9.698 777 HB2 HIS 542 HB2 HIS 542 60.230 41.735 9.633 778 HB3 HIS 542 HB1 HIS 542 58.875 41.046 8.753 779 HD1 HIS 542 HD1 HIS 542 61.601 43.161 8.127 780 HD2 HIS 542 HD2 HIS 542 57.546 43.427 7.198 781 HE1 HIS 542 HE1 HIS 542 61.412 44.802 6.208 782 H GLU 543 HN GLU 543 57.802 40.065 9.825 783 HA GLU 543 HA GLU 543 58.243 38.991 12.363 784 HB2 GLU 543 HB2 GLU 543 56.183 40.301 12.948 785 HB3 GLU 543 HB1 GLU 543 55.313 39.412 11.695 786 HG2 GLU 543 HG2 GLU 543 54.945 37.739 13.196 787 HG3 GLU 543 HG1 GLU 543 56.689 37.444 13.184 788 H ARG 544 HN ARG 544 59.195 37.474 11.027 789 HA ARG 544 HA ARG 544 57.533 36.010 9.050 790 HB2 ARG 544 HB2 ARG 544 60.445 35.428 9.560 791 HB3 ARG 544 HB1 ARG 544 59.535 35.341 8.051 792 HG2 ARG 544 HG2 ARG 544 60.313 37.888 9.513 793 HG3 ARG 544 HG1 ARG 544 61.048 37.274 8.045 794 HD2 ARG 544 HD2 ARG 544 58.657 37.332 7.047 795 HD3 ARG 544 HD1 ARG 544 58.271 38.374 8.417 796 HE ARG 544 HE ARG 544 60.546 39.526 7.333 797 HH11 ARG 544 HH11 ARG 544 60.459 41.109 5.723 798 HH12 ARG 544 HH12 ARG 544 59.077 41.193 4.682 799 HH21 ARG 544 HH21 ARG 544 57.457 38.518 6.182 800 HH22 ARG 544 HH22 ARG 544 57.376 39.726 4.943 801 H ARG 545 HN ARG 545 56.382 35.168 11.215 802 HA ARG 545 HA ARG 545 57.737 33.219 12.811 803 HB2 ARG 545 HB2 ARG 545 54.793 33.232 12.120 804 HB3 ARG 545 HB1 ARG 545 55.558 32.599 13.573 805 HG2 ARG 545 HG2 ARG 545 55.452 35.502 12.737 806 HG3 ARG 545 HG1 ARG 545 54.557 34.763 14.059 807 HD2 ARG 545 HD2 ARG 545 56.908 34.049 14.947 808 HD3 ARG 545 HD1 ARG 545 57.513 35.298 13.859 809 HE ARG 545 HE ARG 545 55.519 36.577 15.299 810 HH11 ARG 545 HH11 ARG 545 55.932 37.657 17.245 811 HH12 ARG 545 HH12 ARG 545 57.303 37.200 18.199 812 HH21 ARG 545 HH21 ARG 545 58.335 34.718 16.007 813 HH22 ARG 545 HH22 ARG 545 58.663 35.535 17.499 814 H GLY 546 HN GLY 546 55.522 31.175 12.269 815 HA2 GLY 546 HA2 GLY 546 55.480 30.047 9.765 816 HA3 GLY 546 HA1 GLY 546 57.081 29.593 10.351 817 H SER 547 HN SER 547 57.222 28.230 12.238 818 HA SER 547 HA SER 547 54.835 27.136 13.490 819 HB2 SER 547 HB2 SER 547 56.172 25.700 11.221 820 HB3 SER 547 HB1 SER 547 55.604 24.739 12.585 821 HG SER 547 HG SER 547 53.863 24.881 11.299 822 H LEU 548 HN LEU 548 55.620 26.824 15.548 823 HA LEU 548 HA LEU 548 58.382 26.830 16.138 824 HB2 LEU 548 HB2 LEU 548 55.873 26.377 17.631 825 HB3 LEU 548 HB1 LEU 548 57.272 25.581 18.343 826 HG LEU 548 HG LEU 548 58.489 27.812 18.177 827 HD11 LEU 548 HD11 LEU 548 55.717 28.661 17.348 828 HD12 LEU 548 HD12 LEU 548 57.256 29.026 16.577 829 HD13 LEU 548 HD13 LEU 548 56.837 29.794 18.101 830 HD21 LEU 548 HD21 LEU 548 57.297 26.892 20.246 831 HD22 LEU 548 HD22 LEU 548 55.987 28.001 19.842 832 HD23 LEU 548 HD23 LEU 548 57.596 28.629 20.204 833 H CYS 549 HN CYS 549 59.912 25.254 16.352 834 HA CYS 549 HA CYS 549 59.216 22.577 15.336 835 HB2 CYS 549 HB2 CYS 549 61.300 23.272 14.522 836 HB3 CYS 549 HB1 CYS 549 61.701 24.127 15.993 837 H SER 550 HN SER 550 58.068 21.527 16.847 838 HA SER 550 HA SER 550 58.035 21.845 19.588 839 HB2 SER 550 HB2 SER 550 56.330 20.513 18.761 840 HB3 SER 550 HB1 SER 550 57.430 19.499 17.830 841 HG SER 550 HG SER 550 58.260 18.793 19.921 842 H GLY 551 HN GLY 551 59.354 21.483 21.177 843 HA2 GLY 551 HA2 GLY 551 60.961 20.139 22.436 844 HA3 GLY 551 HA1 GLY 551 61.547 19.474 20.905 845 H CYS 552 HN CYS 552 61.308 22.121 19.657 846 HA CYS 552 HA CYS 552 63.829 23.362 20.683 847 HB2 CYS 552 HB2 CYS 552 63.518 22.260 18.352 848 HB3 CYS 552 HB1 CYS 552 62.551 23.673 17.978 849 H GLN 553 HN GLN 553 60.503 23.737 19.720 850 HA GLN 553 HA GLN 553 59.026 25.482 19.758 851 HB2 GLN 553 HB2 GLN 553 60.497 25.977 22.326 852 HB3 GLN 553 HB1 GLN 553 58.952 26.716 21.895 853 HG2 GLN 553 HG2 GLN 553 59.431 23.736 21.922 854 HG3 GLN 553 HG1 GLN 553 58.736 24.614 23.269 855 HE21 GLN 553 HE21 GLN 553 58.189 23.682 19.895 856 HE22 GLN 553 HE22 GLN 553 56.501 23.882 19.924 857 H LYS 554 HN LYS 554 60.563 26.141 17.987 858 HA LYS 554 HA LYS 554 60.886 29.060 18.238 859 HB2 LYS 554 HB2 LYS 554 63.005 27.196 17.181 860 HB3 LYS 554 HB1 LYS 554 63.025 28.930 16.893 861 HG2 LYS 554 HG2 LYS 554 63.007 27.626 19.625 862 HG3 LYS 554 HG1 LYS 554 64.441 28.250 18.827 863 HD2 LYS 554 HD2 LYS 554 62.975 30.470 18.659 864 HD3 LYS 554 HD1 LYS 554 62.120 29.738 20.018 865 HE2 LYS 554 HE2 LYS 554 65.109 30.234 19.905 866 HE3 LYS 554 HE1 LYS 554 63.945 31.224 20.786 867 HZ1 LYS 554 HZ1 LYS 554 65.041 28.637 21.448 868 HZ2 LYS 554 HZ2 LYS 554 63.359 28.754 21.661 869 HZ3 LYS 554 HZ3 LYS 554 64.398 29.835 22.461 870 HA PRO 555 HA PRO 555 58.262 28.531 14.589 871 HB2 PRO 555 HB2 PRO 555 59.625 30.986 13.631 872 HB3 PRO 555 HB1 PRO 555 57.900 30.637 13.762 873 HG2 PRO 555 HG2 PRO 555 59.252 32.244 15.534 874 HG3 PRO 555 HG1 PRO 555 57.794 31.343 15.959 875 HD2 PRO 555 HD2 PRO 555 60.565 30.881 16.859 876 HD3 PRO 555 HD1 PRO 555 59.054 30.204 17.513 877 H ILE 556 HN ILE 556 58.507 27.443 12.776 878 HA ILE 556 HA ILE 556 61.222 26.969 11.681 879 HB ILE 556 HB ILE 556 58.517 25.655 11.255 880 HG12 ILE 556 HG12 ILE 556 60.982 24.349 12.397 881 HG13 ILE 556 HG11 ILE 556 60.007 25.352 13.440 882 HG21 ILE 556 HG21 ILE 556 61.215 25.152 9.995 883 HG22 ILE 556 HG22 ILE 556 59.665 25.410 9.193 884 HG23 ILE 556 HG23 ILE 556 59.966 23.916 10.077 885 HD11 ILE 556 HD11 ILE 556 59.555 22.686 13.022 886 HD12 ILE 556 HD12 ILE 556 58.457 23.388 11.836 887 HD13 ILE 556 HD13 ILE 556 58.312 23.820 13.541 888 H THR 557 HN THR 557 61.623 28.785 10.381 889 HA THR 557 HA THR 557 59.526 29.629 8.442 890 HB THR 557 HB THR 557 60.633 31.686 8.337 891 HG1 THR 557 HG1 THR 557 62.920 31.312 9.594 892 HG21 THR 557 HG21 THR 557 59.766 30.986 10.658 893 HG22 THR 557 HG22 THR 557 60.895 32.343 10.607 894 HG23 THR 557 HG23 THR 557 61.460 30.743 11.082 895 H GLY 558 HN GLY 558 59.696 27.971 6.931 896 HA2 GLY 558 HA2 GLY 558 61.081 28.265 4.620 897 HA3 GLY 558 HA1 GLY 558 62.244 27.374 5.610 898 H ARG 559 HN ARG 559 61.860 25.244 6.073 899 HA ARG 559 HA ARG 559 59.462 23.957 4.827 900 HB2 ARG 559 HB2 ARG 559 62.347 23.130 5.108 901 HB3 ARG 559 HB1 ARG 559 61.108 21.877 5.052 902 HG2 ARG 559 HG2 ARG 559 61.097 24.071 2.985 903 HG3 ARG 559 HG1 ARG 559 62.223 22.728 2.813 904 HD2 ARG 559 HD2 ARG 559 60.506 21.147 2.568 905 HD3 ARG 559 HD1 ARG 559 59.305 22.184 3.338 906 HE ARG 559 HE ARG 559 60.031 23.583 1.056 907 HH11 ARG 559 HH11 ARG 559 58.965 23.321 -0.922 908 HH12 ARG 559 HH12 ARG 559 58.126 21.842 -1.248 909 HH21 ARG 559 HH21 ARG 559 58.920 20.406 1.805 910 HH22 ARG 559 HH22 ARG 559 58.100 20.193 0.295 911 H CYS 560 HN CYS 560 58.482 22.260 6.137 912 HA CYS 560 HA CYS 560 59.450 22.087 8.932 913 HB2 CYS 560 HB2 CYS 560 57.170 22.504 9.816 914 HB3 CYS 560 HB1 CYS 560 57.873 23.926 9.037 915 HG CYS 560 HG CYS 560 55.794 23.898 7.673 916 H ILE 561 HN ILE 561 59.452 20.128 9.630 917 HA ILE 561 HA ILE 561 57.961 18.038 8.174 918 HB ILE 561 HB ILE 561 59.943 17.925 10.469 919 HG12 ILE 561 HG12 ILE 561 60.138 17.386 7.511 920 HG13 ILE 561 HG11 ILE 561 60.879 18.729 8.366 921 HG21 ILE 561 HG21 ILE 561 60.014 15.537 10.134 922 HG22 ILE 561 HG22 ILE 561 58.934 15.642 8.746 923 HG23 ILE 561 HG23 ILE 561 58.319 15.971 10.371 924 HD11 ILE 561 HD11 ILE 561 62.591 17.070 8.055 925 HD12 ILE 561 HD12 ILE 561 61.535 15.789 8.656 926 HD13 ILE 561 HD13 ILE 561 62.128 17.035 9.757 927 H THR 562 HN THR 562 56.401 16.852 9.152 928 HA THR 562 HA THR 562 55.374 17.820 11.793 929 HB THR 562 HB THR 562 53.605 16.739 9.610 930 HG1 THR 562 HG1 THR 562 54.219 19.432 10.236 931 HG21 THR 562 HG21 THR 562 52.886 16.748 12.039 932 HG22 THR 562 HG22 THR 562 51.837 17.654 10.946 933 HG23 THR 562 HG23 THR 562 52.985 18.508 11.976 934 H ALA 563 HN ALA 563 54.592 16.322 13.165 935 HA ALA 563 HA ALA 563 55.092 13.455 12.477 936 HB1 ALA 563 HB1 ALA 563 55.425 14.728 15.189 937 HB2 ALA 563 HB2 ALA 563 56.752 14.606 14.029 938 HB3 ALA 563 HB3 ALA 563 55.988 13.139 14.664 939 H MET 564 HN MET 564 54.115 13.392 15.486 940 HA MET 564 HA MET 564 51.462 12.468 14.937 941 HB2 MET 564 HB2 MET 564 52.346 13.439 17.644 942 HB3 MET 564 HB1 MET 564 51.355 12.037 17.236 943 HG2 MET 564 HG2 MET 564 53.478 11.131 16.056 944 HG3 MET 564 HG1 MET 564 54.336 12.373 16.964 945 HE1 MET 564 HE1 MET 564 55.455 9.946 17.322 946 HE2 MET 564 HE2 MET 564 55.339 9.309 18.960 947 HE3 MET 564 HE3 MET 564 55.809 10.988 18.707 948 H ALA 565 HN ALA 565 52.210 15.212 14.174 949 HA ALA 565 HA ALA 565 50.618 16.986 13.709 950 HB1 ALA 565 HB1 ALA 565 49.107 17.809 15.380 951 HB2 ALA 565 HB2 ALA 565 49.878 16.860 16.646 952 HB3 ALA 565 HB3 ALA 565 48.933 16.056 15.385 953 H LYS 566 HN LYS 566 53.098 16.248 15.784 954 HA LYS 566 HA LYS 566 53.662 18.970 16.716 955 HB2 LYS 566 HB2 LYS 566 55.458 16.529 16.664 956 HB3 LYS 566 HB1 LYS 566 55.682 17.974 17.633 957 HG2 LYS 566 HG2 LYS 566 53.283 16.137 17.857 958 HG3 LYS 566 HG1 LYS 566 54.694 16.042 18.897 959 HD2 LYS 566 HD2 LYS 566 53.573 17.509 20.256 960 HD3 LYS 566 HD1 LYS 566 54.056 18.740 19.093 961 HE2 LYS 566 HE2 LYS 566 51.739 19.062 19.218 962 HE3 LYS 566 HE1 LYS 566 51.870 17.994 17.820 963 HZ1 LYS 566 HZ1 LYS 566 51.062 16.226 18.971 964 HZ2 LYS 566 HZ2 LYS 566 50.242 17.470 19.787 965 HZ3 LYS 566 HZ3 LYS 566 51.635 16.776 20.469 966 H LYS 567 HN LYS 567 55.368 20.281 15.875 967 HA LYS 567 HA LYS 567 56.027 19.685 13.032 968 HB2 LYS 567 HB2 LYS 567 56.781 22.223 14.436 969 HB3 LYS 567 HB1 LYS 567 56.347 21.984 12.755 970 HG2 LYS 567 HG2 LYS 567 54.459 21.862 15.132 971 HG3 LYS 567 HG1 LYS 567 54.537 23.148 13.937 972 HD2 LYS 567 HD2 LYS 567 53.834 20.253 13.280 973 HD3 LYS 567 HD1 LYS 567 52.661 21.544 13.528 974 HE2 LYS 567 HE2 LYS 567 53.922 22.839 11.704 975 HE3 LYS 567 HE1 LYS 567 54.710 21.310 11.328 976 HZ1 LYS 567 HZ1 LYS 567 52.140 22.177 10.602 977 HZ2 LYS 567 HZ2 LYS 567 51.992 20.799 11.584 978 HZ3 LYS 567 HZ3 LYS 567 52.933 20.742 10.171 979 H PHE 568 HN PHE 568 58.398 20.485 12.452 980 HA PHE 568 HA PHE 568 60.320 20.026 14.628 981 HB2 PHE 568 HB2 PHE 568 59.506 17.863 12.765 982 HB3 PHE 568 HB1 PHE 568 61.242 18.051 12.909 983 HD1 PHE 568 HD1 PHE 568 58.377 16.530 14.336 984 HD2 PHE 568 HD2 PHE 568 62.132 18.329 15.398 985 HE1 PHE 568 HE1 PHE 568 58.333 15.339 16.510 986 HE2 PHE 568 HE2 PHE 568 62.087 17.137 17.572 987 HZ PHE 568 HZ PHE 568 60.188 15.642 18.128 988 H HIS 569 HN HIS 569 62.150 21.093 14.167 989 HA HIS 569 HA HIS 569 62.493 22.700 11.867 990 HB2 HIS 569 HB2 HIS 569 64.215 21.696 14.040 991 HB3 HIS 569 HB1 HIS 569 65.089 22.155 12.595 992 HD2 HIS 569 HD2 HIS 569 63.841 24.985 11.824 993 HE1 HIS 569 HE1 HIS 569 64.343 25.954 15.897 994 HA PRO 570 HA PRO 570 63.034 19.093 9.130 995 HB2 PRO 570 HB2 PRO 570 64.393 21.117 7.398 996 HB3 PRO 570 HB1 PRO 570 63.083 19.993 6.997 997 HG2 PRO 570 HG2 PRO 570 62.658 22.665 7.379 998 HG3 PRO 570 HG1 PRO 570 61.435 21.441 7.733 999 HD2 PRO 570 HD2 PRO 570 63.034 23.070 9.628 1000 HD3 PRO 570 HD1 PRO 570 61.493 22.219 9.887 1001 H GLU 571 HN GLU 571 65.316 21.123 10.636 1002 HA GLU 571 HA GLU 571 67.683 19.594 9.741 1003 HB2 GLU 571 HB2 GLU 571 67.736 21.835 11.748 1004 HB3 GLU 571 HB1 GLU 571 68.970 21.354 10.586 1005 HG2 GLU 571 HG2 GLU 571 67.345 22.022 8.758 1006 HG3 GLU 571 HG1 GLU 571 66.345 22.728 10.033 1007 H HIS 572 HN HIS 572 66.184 20.613 12.837 1008 HA HIS 572 HA HIS 572 67.850 18.942 14.443 1009 HB2 HIS 572 HB2 HIS 572 65.088 20.035 15.004 1010 HB3 HIS 572 HB1 HIS 572 65.978 19.101 16.183 1011 HD2 HIS 572 HD2 HIS 572 68.979 20.476 15.570 1012 HE1 HIS 572 HE1 HIS 572 67.197 24.073 16.811 1013 H PHE 573 HN PHE 573 65.737 17.968 12.129 1014 HA PHE 573 HA PHE 573 65.508 15.256 13.398 1015 HB2 PHE 573 HB2 PHE 573 63.317 16.744 13.042 1016 HB3 PHE 573 HB1 PHE 573 63.480 16.179 11.387 1017 HD1 PHE 573 HD1 PHE 573 63.391 13.743 10.869 1018 HD2 PHE 573 HD2 PHE 573 62.692 15.253 14.829 1019 HE1 PHE 573 HE1 PHE 573 62.388 11.570 11.520 1020 HE2 PHE 573 HE2 PHE 573 61.688 13.081 15.480 1021 HZ PHE 573 HZ PHE 573 61.535 11.240 13.826 1022 H VAL 574 HN VAL 574 67.693 15.716 12.059 1023 HA VAL 574 HA VAL 574 67.396 15.163 9.187 1024 HB VAL 574 HB VAL 574 69.888 15.361 9.186 1025 HG11 VAL 574 HG11 VAL 574 69.503 17.915 10.294 1026 HG12 VAL 574 HG12 VAL 574 67.900 17.430 9.739 1027 HG13 VAL 574 HG13 VAL 574 69.249 17.460 8.623 1028 HG21 VAL 574 HG21 VAL 574 70.932 16.242 11.245 1029 HG22 VAL 574 HG22 VAL 574 70.253 14.640 11.514 1030 HG23 VAL 574 HG23 VAL 574 69.405 16.079 12.101 1031 H CYS 575 HN CYS 575 69.212 13.570 8.349 1032 HA CYS 575 HA CYS 575 68.739 10.923 9.551 1033 HB2 CYS 575 HB2 CYS 575 68.911 10.411 7.339 1034 HB3 CYS 575 HB1 CYS 575 69.618 11.984 6.986 1035 H ALA 576 HN ALA 576 70.398 9.606 10.574 1036 HA ALA 576 HA ALA 576 72.713 11.295 11.475 1037 HB1 ALA 576 HB1 ALA 576 71.490 8.694 12.408 1038 HB2 ALA 576 HB2 ALA 576 71.712 10.194 13.306 1039 HB3 ALA 576 HB3 ALA 576 73.104 9.174 12.938 1040 H PHE 577 HN PHE 577 73.538 11.157 9.276 1041 HA PHE 577 HA PHE 577 75.711 9.228 9.079 1042 HB2 PHE 577 HB2 PHE 577 73.793 8.244 7.615 1043 HB3 PHE 577 HB1 PHE 577 73.985 9.657 6.600 1044 HD1 PHE 577 HD1 PHE 577 74.329 6.958 5.431 1045 HD2 PHE 577 HD2 PHE 577 77.273 9.406 7.419 1046 HE1 PHE 577 HE1 PHE 577 76.119 5.857 4.167 1047 HE2 PHE 577 HE2 PHE 577 79.038 8.267 6.147 1048 HZ PHE 577 HZ PHE 577 78.468 6.502 4.522 1049 H CYS 578 HN CYS 578 73.794 11.474 7.296 1050 HA CYS 578 HA CYS 578 75.946 13.539 7.205 1051 HB2 CYS 578 HB2 CYS 578 74.868 14.272 5.072 1052 HB3 CYS 578 HB1 CYS 578 75.494 12.634 4.943 1053 H LEU 579 HN LEU 579 74.990 14.156 9.254 1054 HA LEU 579 HA LEU 579 72.318 14.604 9.854 1055 HB2 LEU 579 HB2 LEU 579 74.747 16.147 10.777 1056 HB3 LEU 579 HB1 LEU 579 73.175 16.213 11.552 1057 HG LEU 579 HG LEU 579 73.641 13.451 11.372 1058 HD11 LEU 579 HD11 LEU 579 76.054 14.227 10.732 1059 HD12 LEU 579 HD12 LEU 579 75.854 12.955 11.937 1060 HD13 LEU 579 HD13 LEU 579 76.205 14.604 12.449 1061 HD21 LEU 579 HD21 LEU 579 73.895 13.521 13.779 1062 HD22 LEU 579 HD22 LEU 579 72.733 14.766 13.321 1063 HD23 LEU 579 HD23 LEU 579 74.391 15.211 13.727 1064 H LYS 580 HN LYS 580 73.290 15.998 7.095 1065 HA LYS 580 HA LYS 580 72.516 18.765 7.788 1066 HB2 LYS 580 HB2 LYS 580 73.354 19.395 5.740 1067 HB3 LYS 580 HB1 LYS 580 74.227 17.888 5.944 1068 HG2 LYS 580 HG2 LYS 580 71.625 18.125 4.371 1069 HG3 LYS 580 HG1 LYS 580 73.226 18.210 3.658 1070 HD2 LYS 580 HD2 LYS 580 73.702 15.977 4.071 1071 HD3 LYS 580 HD1 LYS 580 72.566 15.869 5.410 1072 HE2 LYS 580 HE2 LYS 580 71.951 14.752 3.120 1073 HE3 LYS 580 HE1 LYS 580 70.724 15.650 4.009 1074 HZ1 LYS 580 HZ1 LYS 580 70.647 17.239 2.462 1075 HZ2 LYS 580 HZ2 LYS 580 71.399 16.103 1.446 1076 HZ3 LYS 580 HZ3 LYS 580 72.330 17.273 2.254 1077 H GLN 581 HN GLN 581 70.863 16.036 6.040 1078 HA GLN 581 HA GLN 581 68.383 17.432 6.643 1079 HB2 GLN 581 HB2 GLN 581 69.223 18.584 4.603 1080 HB3 GLN 581 HB1 GLN 581 68.935 17.089 3.716 1081 HG2 GLN 581 HG2 GLN 581 66.950 18.371 3.444 1082 HG3 GLN 581 HG1 GLN 581 66.547 17.192 4.677 1083 HE21 GLN 581 HE21 GLN 581 66.716 17.976 6.991 1084 HE22 GLN 581 HE22 GLN 581 66.418 19.612 7.295 1085 H LEU 582 HN LEU 582 66.618 16.283 6.701 1086 HA LEU 582 HA LEU 582 66.478 13.625 5.396 1087 HB2 LEU 582 HB2 LEU 582 67.227 13.482 7.824 1088 HB3 LEU 582 HB1 LEU 582 65.635 14.075 8.258 1089 HG LEU 582 HG LEU 582 64.624 12.127 7.126 1090 HD11 LEU 582 HD11 LEU 582 67.430 11.726 6.239 1091 HD12 LEU 582 HD12 LEU 582 65.922 11.237 5.474 1092 HD13 LEU 582 HD13 LEU 582 66.601 10.259 6.770 1093 HD21 LEU 582 HD21 LEU 582 65.732 10.378 8.734 1094 HD22 LEU 582 HD22 LEU 582 64.904 11.774 9.420 1095 HD23 LEU 582 HD23 LEU 582 66.655 11.758 9.314 1096 H ASN 583 HN ASN 583 64.089 12.832 5.587 1097 HA ASN 583 HA ASN 583 62.120 15.030 5.904 1098 HB2 ASN 583 HB2 ASN 583 62.832 13.717 3.281 1099 HB3 ASN 583 HB1 ASN 583 61.178 14.250 3.557 1100 HD21 ASN 583 HD21 ASN 583 62.506 15.515 1.539 1101 HD22 ASN 583 HD22 ASN 583 62.956 17.081 2.000 1102 H LYS 584 HN LYS 584 60.214 14.233 6.668 1103 HA LYS 584 HA LYS 584 59.935 11.633 7.668 1104 HB2 LYS 584 HB2 LYS 584 57.451 12.156 7.595 1105 HB3 LYS 584 HB1 LYS 584 58.449 13.371 8.401 1106 HG2 LYS 584 HG2 LYS 584 58.257 14.905 6.645 1107 HG3 LYS 584 HG1 LYS 584 57.935 13.658 5.439 1108 HD2 LYS 584 HD2 LYS 584 55.921 15.022 6.000 1109 HD3 LYS 584 HD1 LYS 584 55.719 13.303 6.325 1110 HE2 LYS 584 HE2 LYS 584 55.966 13.599 8.666 1111 HE3 LYS 584 HE1 LYS 584 56.631 15.219 8.467 1112 HZ1 LYS 584 HZ1 LYS 584 53.992 14.788 7.345 1113 HZ2 LYS 584 HZ2 LYS 584 54.606 16.119 8.206 1114 HZ3 LYS 584 HZ3 LYS 584 54.082 14.733 9.038 1115 H GLY 585 HN GLY 585 59.641 12.767 4.437 1116 HA2 GLY 585 HA2 GLY 585 58.045 10.464 3.526 1117 HA3 GLY 585 HA1 GLY 585 58.650 11.780 2.523 1118 H THR 586 HN THR 586 61.299 11.349 3.969 1119 HA THR 586 HA THR 586 62.184 8.851 2.583 1120 HB THR 586 HB THR 586 63.894 9.936 1.432 1121 HG1 THR 586 HG1 THR 586 64.549 10.975 3.488 1122 HG21 THR 586 HG21 THR 586 61.896 12.195 1.725 1123 HG22 THR 586 HG22 THR 586 61.637 10.785 0.700 1124 HG23 THR 586 HG23 THR 586 62.966 11.894 0.354 1125 H PHE 587 HN PHE 587 61.628 9.687 5.431 1126 HA PHE 587 HA PHE 587 64.356 9.615 6.596 1127 HB2 PHE 587 HB2 PHE 587 63.424 10.167 8.654 1128 HB3 PHE 587 HB1 PHE 587 62.399 11.022 7.530 1129 HD1 PHE 587 HD1 PHE 587 62.176 9.415 10.478 1130 HD2 PHE 587 HD2 PHE 587 60.503 9.075 6.536 1131 HE1 PHE 587 HE1 PHE 587 60.204 8.243 11.411 1132 HE2 PHE 587 HE2 PHE 587 58.534 7.906 7.470 1133 HZ PHE 587 HZ PHE 587 58.383 7.489 9.909 1134 H LYS 588 HN LYS 588 65.288 7.722 6.609 1135 HA LYS 588 HA LYS 588 63.741 5.253 7.235 1136 HB2 LYS 588 HB2 LYS 588 65.620 5.885 5.228 1137 HB3 LYS 588 HB1 LYS 588 66.533 4.959 6.373 1138 HG2 LYS 588 HG2 LYS 588 65.501 3.602 4.528 1139 HG3 LYS 588 HG1 LYS 588 65.127 3.050 6.146 1140 HD2 LYS 588 HD2 LYS 588 63.240 3.150 4.332 1141 HD3 LYS 588 HD1 LYS 588 62.881 3.644 5.967 1142 HE2 LYS 588 HE2 LYS 588 62.687 5.887 5.374 1143 HE3 LYS 588 HE1 LYS 588 63.819 5.737 4.048 1144 HZ1 LYS 588 HZ1 LYS 588 61.182 4.420 4.022 1145 HZ2 LYS 588 HZ2 LYS 588 62.232 4.693 2.714 1146 HZ3 LYS 588 HZ3 LYS 588 61.414 5.995 3.437 1147 H GLU 589 HN GLU 589 65.086 3.661 8.644 1148 HA GLU 589 HA GLU 589 66.949 5.027 10.490 1149 HB2 GLU 589 HB2 GLU 589 65.026 5.664 11.645 1150 HB3 GLU 589 HB1 GLU 589 64.159 4.187 11.247 1151 HG2 GLU 589 HG2 GLU 589 65.433 2.919 12.834 1152 HG3 GLU 589 HG1 GLU 589 66.596 4.231 13.057 1153 H GLN 590 HN GLN 590 67.964 3.636 11.929 1154 HA GLN 590 HA GLN 590 67.630 0.743 11.736 1155 HB2 GLN 590 HB2 GLN 590 69.193 1.619 9.789 1156 HB3 GLN 590 HB1 GLN 590 70.375 1.814 11.071 1157 HG2 GLN 590 HG2 GLN 590 70.855 -0.375 10.491 1158 HG3 GLN 590 HG1 GLN 590 69.590 -0.679 11.680 1159 HE21 GLN 590 HE21 GLN 590 70.488 -1.962 8.915 1160 HE22 GLN 590 HE22 GLN 590 69.001 -2.215 8.135 1161 H ASN 591 HN ASN 591 68.614 -0.229 13.588 1162 HA ASN 591 HA ASN 591 69.168 -0.173 15.857 1163 HB2 ASN 591 HB2 ASN 591 71.399 1.413 16.062 1164 HB3 ASN 591 HB1 ASN 591 71.426 -0.242 15.491 1165 HD21 ASN 591 HD21 ASN 591 70.776 -0.317 12.997 1166 HD22 ASN 591 HD22 ASN 591 71.591 0.801 12.023 1167 H ASP 592 HN ASP 592 67.335 2.008 14.826 1168 HA ASP 592 HA ASP 592 66.065 3.621 15.988 1169 HB2 ASP 592 HB2 ASP 592 68.248 3.987 18.024 1170 HB3 ASP 592 HB1 ASP 592 66.509 4.190 18.211 1171 H LYS 593 HN LYS 593 69.107 3.968 14.683 1172 HA LYS 593 HA LYS 593 69.346 6.856 15.116 1173 HB2 LYS 593 HB2 LYS 593 70.944 5.024 13.349 1174 HB3 LYS 593 HB1 LYS 593 71.394 6.637 13.880 1175 HG2 LYS 593 HG2 LYS 593 71.076 5.607 16.294 1176 HG3 LYS 593 HG1 LYS 593 71.306 4.077 15.452 1177 HD2 LYS 593 HD2 LYS 593 73.442 4.883 14.532 1178 HD3 LYS 593 HD1 LYS 593 73.216 6.432 15.343 1179 HE2 LYS 593 HE2 LYS 593 73.176 3.868 16.932 1180 HE3 LYS 593 HE1 LYS 593 74.709 4.619 16.491 1181 HZ1 LYS 593 HZ1 LYS 593 72.706 6.404 17.593 1182 HZ2 LYS 593 HZ2 LYS 593 74.379 6.330 17.882 1183 HZ3 LYS 593 HZ3 LYS 593 73.328 5.255 18.674 1184 HA PRO 594 HA PRO 594 66.620 7.496 11.480 1185 HB2 PRO 594 HB2 PRO 594 68.038 10.117 11.462 1186 HB3 PRO 594 HB1 PRO 594 66.306 9.787 11.421 1187 HG2 PRO 594 HG2 PRO 594 67.575 10.717 13.633 1188 HG3 PRO 594 HG1 PRO 594 66.162 9.654 13.728 1189 HD2 PRO 594 HD2 PRO 594 69.013 9.029 14.319 1190 HD3 PRO 594 HD1 PRO 594 67.536 8.211 14.885 1191 H TYR 595 HN TYR 595 67.013 7.995 9.131 1192 HA TYR 595 HA TYR 595 69.727 8.265 8.121 1193 HB2 TYR 595 HB2 TYR 595 68.451 5.536 8.275 1194 HB3 TYR 595 HB1 TYR 595 69.550 5.910 6.960 1195 HD1 TYR 595 HD1 TYR 595 71.781 7.202 7.851 1196 HD2 TYR 595 HD2 TYR 595 69.413 4.403 10.077 1197 HE1 TYR 595 HE1 TYR 595 73.757 6.634 9.249 1198 HE2 TYR 595 HE2 TYR 595 71.387 3.846 11.467 1199 HH TYR 595 HH TYR 595 74.209 5.717 11.498 1200 H CYS 596 HN CYS 596 69.617 8.847 5.919 1201 HA CYS 596 HA CYS 596 66.967 9.124 4.703 1202 HB2 CYS 596 HB2 CYS 596 69.527 9.152 3.088 1203 HB3 CYS 596 HB1 CYS 596 68.054 10.072 2.833 1204 H GLN 597 HN GLN 597 66.285 7.745 2.830 1205 HA GLN 597 HA GLN 597 66.868 5.002 3.293 1206 HB2 GLN 597 HB2 GLN 597 64.878 5.277 2.105 1207 HB3 GLN 597 HB1 GLN 597 65.525 6.564 1.130 1208 HG2 GLN 597 HG2 GLN 597 65.359 4.847 -0.439 1209 HG3 GLN 597 HG1 GLN 597 67.011 4.644 0.102 1210 HE21 GLN 597 HE21 GLN 597 65.930 3.629 2.778 1211 HE22 GLN 597 HE22 GLN 597 65.483 2.038 2.469 1212 H ASN 598 HN ASN 598 67.996 7.174 0.707 1213 HA ASN 598 HA ASN 598 69.894 5.523 -0.494 1214 HB2 ASN 598 HB2 ASN 598 70.621 8.390 0.023 1215 HB3 ASN 598 HB1 ASN 598 70.745 7.459 -1.464 1216 HD21 ASN 598 HD21 ASN 598 68.284 6.527 -1.952 1217 HD22 ASN 598 HD22 ASN 598 67.146 7.775 -2.057 1218 H CYS 599 HN CYS 599 70.014 7.137 2.605 1219 HA CYS 599 HA CYS 599 72.860 6.616 3.009 1220 HB2 CYS 599 HB2 CYS 599 70.632 7.810 4.618 1221 HB3 CYS 599 HB1 CYS 599 72.039 7.215 5.484 1222 H PHE 600 HN PHE 600 69.877 5.440 4.606 1223 HA PHE 600 HA PHE 600 71.097 3.315 6.036 1224 HB2 PHE 600 HB2 PHE 600 68.970 3.674 6.842 1225 HB3 PHE 600 HB1 PHE 600 68.364 4.154 5.265 1226 HD1 PHE 600 HD1 PHE 600 69.031 1.288 7.498 1227 HD2 PHE 600 HD2 PHE 600 67.448 2.539 3.716 1228 HE1 PHE 600 HE1 PHE 600 67.962 -0.932 7.213 1229 HE2 PHE 600 HE2 PHE 600 66.378 0.321 3.425 1230 HZ PHE 600 HZ PHE 600 66.636 -1.417 5.175 1231 H LEU 601 HN LEU 601 69.139 3.068 3.041 1232 HA LEU 601 HA LEU 601 69.518 0.383 2.520 1233 HB2 LEU 601 HB2 LEU 601 68.396 0.928 0.618 1234 HB3 LEU 601 HB1 LEU 601 68.506 2.602 1.133 1235 HG LEU 601 HG LEU 601 70.711 2.748 -0.099 1236 HD11 LEU 601 HD11 LEU 601 70.225 -0.114 -0.421 1237 HD12 LEU 601 HD12 LEU 601 71.670 0.817 -0.799 1238 HD13 LEU 601 HD13 LEU 601 70.392 0.661 -1.996 1239 HD21 LEU 601 HD21 LEU 601 68.709 3.642 -1.100 1240 HD22 LEU 601 HD22 LEU 601 68.178 2.040 -1.600 1241 HD23 LEU 601 HD23 LEU 601 69.587 2.780 -2.359 1242 H LYS 602 HN LYS 602 71.757 3.014 1.872 1243 HA LYS 602 HA LYS 602 73.686 1.517 0.412 1244 HB2 LYS 602 HB2 LYS 602 73.710 3.958 0.484 1245 HB3 LYS 602 HB1 LYS 602 74.061 3.925 2.203 1246 HG2 LYS 602 HG2 LYS 602 76.049 4.343 0.835 1247 HG3 LYS 602 HG1 LYS 602 76.193 2.854 1.759 1248 HD2 LYS 602 HD2 LYS 602 75.951 1.497 -0.135 1249 HD3 LYS 602 HD1 LYS 602 75.110 2.750 -1.049 1250 HE2 LYS 602 HE2 LYS 602 78.058 2.723 -0.333 1251 HE3 LYS 602 HE1 LYS 602 77.363 2.468 -1.932 1252 HZ1 LYS 602 HZ1 LYS 602 77.702 4.933 -0.431 1253 HZ2 LYS 602 HZ2 LYS 602 76.257 4.787 -1.312 1254 HZ3 LYS 602 HZ3 LYS 602 77.755 4.665 -2.105 1255 H LEU 603 HN LEU 603 72.947 1.501 3.814 1256 HA LEU 603 HA LEU 603 75.582 0.353 4.519 1257 HB2 LEU 603 HB2 LEU 603 73.297 0.540 6.454 1258 HB3 LEU 603 HB1 LEU 603 75.027 0.729 6.746 1259 HG LEU 603 HG LEU 603 73.195 2.650 5.315 1260 HD11 LEU 603 HD11 LEU 603 74.911 3.389 7.648 1261 HD12 LEU 603 HD12 LEU 603 73.443 2.459 7.959 1262 HD13 LEU 603 HD13 LEU 603 73.343 4.027 7.161 1263 HD21 LEU 603 HD21 LEU 603 75.142 2.994 4.094 1264 HD22 LEU 603 HD22 LEU 603 76.188 2.444 5.400 1265 HD23 LEU 603 HD23 LEU 603 75.471 4.051 5.460 1266 H PHE 604 HN PHE 604 72.176 -0.694 4.974 1267 HA PHE 604 HA PHE 604 73.154 -3.495 5.217 1268 HB2 PHE 604 HB2 PHE 604 70.668 -2.013 6.004 1269 HB3 PHE 604 HB1 PHE 604 70.508 -3.736 5.664 1270 HD1 PHE 604 HD1 PHE 604 72.538 -1.287 7.684 1271 HD2 PHE 604 HD2 PHE 604 71.127 -5.333 7.278 1272 HE1 PHE 604 HE1 PHE 604 73.468 -1.841 9.909 1273 HE2 PHE 604 HE2 PHE 604 72.061 -5.878 9.507 1274 HZ PHE 604 HZ PHE 604 73.232 -4.133 10.822 1275 H CYS 605 HN CYS 605 72.632 -1.679 2.659 1276 HA CYS 605 HA CYS 605 71.819 -3.950 1.007 1277 HB2 CYS 605 HB2 CYS 605 70.009 -1.570 1.396 1278 HB3 CYS 605 HB1 CYS 605 69.983 -2.484 -0.109 1279 HG CYS 605 HG CYS 605 68.515 -4.071 1.088 Start of MODEL 19 1 H MET 1 HT1 MET 1 94.200 -28.652 7.925 2 HA MET 1 HA MET 1 92.919 -27.797 5.925 3 HB2 MET 1 HB2 MET 1 91.990 -25.790 7.988 4 HB3 MET 1 HB1 MET 1 91.613 -25.789 6.287 5 HG2 MET 1 HG2 MET 1 90.905 -28.154 7.970 6 HG3 MET 1 HG1 MET 1 89.893 -26.723 8.005 7 HE1 MET 1 HE1 MET 1 88.302 -28.695 7.473 8 HE2 MET 1 HE2 MET 1 87.655 -28.803 5.838 9 HE3 MET 1 HE3 MET 1 87.640 -27.257 6.683 10 H ALA 2 HN ALA 2 93.577 -25.410 8.417 11 HA ALA 2 HA ALA 2 96.364 -25.039 7.920 12 HB1 ALA 2 HB1 ALA 2 95.924 -24.317 5.698 13 HB2 ALA 2 HB2 ALA 2 96.103 -22.825 6.618 14 HB3 ALA 2 HB3 ALA 2 94.495 -23.412 6.194 15 H LEU 3 HN LEU 3 93.383 -24.236 9.265 16 HA LEU 3 HA LEU 3 93.532 -21.699 10.351 17 HB2 LEU 3 HB2 LEU 3 92.988 -24.197 11.963 18 HB3 LEU 3 HB1 LEU 3 92.405 -22.577 12.311 19 HG LEU 3 HG LEU 3 91.557 -23.098 9.647 20 HD11 LEU 3 HD11 LEU 3 90.830 -25.456 11.398 21 HD12 LEU 3 HD12 LEU 3 92.163 -25.515 10.245 22 HD13 LEU 3 HD13 LEU 3 90.512 -25.238 9.679 23 HD21 LEU 3 HD21 LEU 3 90.217 -21.867 11.196 24 HD22 LEU 3 HD22 LEU 3 90.147 -23.228 12.312 25 HD23 LEU 3 HD23 LEU 3 89.294 -23.307 10.769 26 H ASP 4 HN ASP 4 94.727 -24.509 12.047 27 HA ASP 4 HA ASP 4 96.432 -22.917 13.760 28 HB2 ASP 4 HB2 ASP 4 95.436 -24.933 14.659 29 HB3 ASP 4 HB1 ASP 4 96.109 -25.898 13.344 30 H GLY 5 HN GLY 5 96.739 -23.345 10.674 31 HA2 GLY 5 HA2 GLY 5 99.266 -24.604 10.203 32 HA3 GLY 5 HA1 GLY 5 98.566 -23.333 9.193 33 H ILE 6 HN ILE 6 98.355 -21.856 11.849 34 HA ILE 6 HA ILE 6 101.122 -20.720 11.889 35 HB ILE 6 HB ILE 6 99.497 -18.729 12.866 36 HG12 ILE 6 HG12 ILE 6 97.533 -20.311 12.278 37 HG13 ILE 6 HG11 ILE 6 97.419 -18.641 11.758 38 HG21 ILE 6 HG21 ILE 6 99.500 -17.923 10.362 39 HG22 ILE 6 HG22 ILE 6 100.503 -19.346 10.108 40 HG23 ILE 6 HG23 ILE 6 101.025 -18.090 11.230 41 HD11 ILE 6 HD11 ILE 6 98.714 -20.440 9.785 42 HD12 ILE 6 HD12 ILE 6 97.498 -19.189 9.551 43 HD13 ILE 6 HD13 ILE 6 97.021 -20.784 10.118 44 H ARG 7 HN ARG 7 99.056 -19.539 14.339 45 HA ARG 7 HA ARG 7 99.286 -21.604 16.201 46 HB2 ARG 7 HB2 ARG 7 101.744 -20.671 15.786 47 HB3 ARG 7 HB1 ARG 7 101.267 -19.428 16.847 48 HG2 ARG 7 HG2 ARG 7 102.179 -21.069 18.275 49 HG3 ARG 7 HG1 ARG 7 100.431 -21.284 18.374 50 HD2 ARG 7 HD2 ARG 7 100.894 -23.468 17.865 51 HD3 ARG 7 HD1 ARG 7 100.981 -22.821 16.221 52 HE ARG 7 HE ARG 7 103.547 -22.485 17.294 53 HH11 ARG 7 HH11 ARG 7 105.159 -24.037 16.967 54 HH12 ARG 7 HH12 ARG 7 104.710 -25.669 16.599 55 HH21 ARG 7 HH21 ARG 7 101.303 -25.035 16.698 56 HH22 ARG 7 HH22 ARG 7 102.528 -26.233 16.447 57 H MET 8 HN MET 8 100.106 -18.347 17.037 58 HA MET 8 HA MET 8 97.416 -18.070 18.301 59 HB2 MET 8 HB2 MET 8 99.465 -16.424 19.583 60 HB3 MET 8 HB1 MET 8 98.385 -17.615 20.282 61 HG2 MET 8 HG2 MET 8 100.010 -19.366 19.165 62 HG3 MET 8 HG1 MET 8 101.139 -18.041 19.156 63 HE1 MET 8 HE1 MET 8 100.721 -16.322 21.621 64 HE2 MET 8 HE2 MET 8 102.221 -16.986 20.977 65 HE3 MET 8 HE3 MET 8 101.862 -17.142 22.695 66 HA PRO 9 HA PRO 9 98.577 -13.516 16.985 67 HB2 PRO 9 HB2 PRO 9 100.451 -14.207 14.741 68 HB3 PRO 9 HB1 PRO 9 100.469 -12.799 15.830 69 HG2 PRO 9 HG2 PRO 9 102.191 -14.706 16.238 70 HG3 PRO 9 HG1 PRO 9 101.267 -14.060 17.615 71 HD2 PRO 9 HD2 PRO 9 100.763 -16.614 16.090 72 HD3 PRO 9 HD1 PRO 9 100.842 -16.342 17.830 73 H ASP 10 HN ASP 10 98.682 -16.096 14.632 74 HA ASP 10 HA ASP 10 96.388 -14.858 13.140 75 HB2 ASP 10 HB2 ASP 10 98.614 -14.885 11.942 76 HB3 ASP 10 HB1 ASP 10 98.548 -16.637 12.010 77 H GLY 11 HN GLY 11 97.754 -17.572 14.726 78 HA2 GLY 11 HA2 GLY 11 95.810 -19.497 13.644 79 HA3 GLY 11 HA1 GLY 11 97.032 -19.827 14.877 80 H CYS 12 HN CYS 12 95.616 -16.997 15.756 81 HA CYS 12 HA CYS 12 93.226 -18.123 17.056 82 HB2 CYS 12 HB2 CYS 12 95.169 -18.676 18.563 83 HB3 CYS 12 HB1 CYS 12 95.458 -16.943 18.714 84 HG CYS 12 HG CYS 12 92.668 -18.076 19.521 85 H TYR 13 HN TYR 13 95.458 -15.312 17.116 86 HA TYR 13 HA TYR 13 95.038 -13.040 16.992 87 HB2 TYR 13 HB2 TYR 13 92.946 -14.295 15.303 88 HB3 TYR 13 HB1 TYR 13 92.476 -12.733 15.942 89 HD1 TYR 13 HD1 TYR 13 94.648 -10.996 15.916 90 HD2 TYR 13 HD2 TYR 13 93.875 -14.206 13.163 91 HE1 TYR 13 HE1 TYR 13 96.039 -9.866 14.203 92 HE2 TYR 13 HE2 TYR 13 95.266 -13.074 11.453 93 HH TYR 13 HH TYR 13 96.064 -10.839 10.921 94 H ALA 14 HN ALA 14 91.747 -14.266 17.528 95 HA ALA 14 HA ALA 14 91.524 -14.147 20.271 96 HB1 ALA 14 HB1 ALA 14 91.705 -11.436 19.045 97 HB2 ALA 14 HB2 ALA 14 92.179 -11.962 20.657 98 HB3 ALA 14 HB3 ALA 14 90.481 -11.644 20.300 99 H ASP 15 HN ASP 15 90.058 -13.016 17.271 100 HA ASP 15 HA ASP 15 87.671 -14.618 17.867 101 HB2 ASP 15 HB2 ASP 15 87.327 -12.355 18.960 102 HB3 ASP 15 HB1 ASP 15 87.375 -11.658 17.341 103 H GLY 16 HN GLY 16 89.941 -13.706 15.770 104 HA2 GLY 16 HA2 GLY 16 90.086 -14.194 13.447 105 HA3 GLY 16 HA1 GLY 16 88.341 -14.459 13.424 106 H THR 17 HN THR 17 89.344 -11.633 15.014 107 HA THR 17 HA THR 17 88.103 -9.977 12.923 108 HB THR 17 HB THR 17 88.464 -8.183 14.674 109 HG1 THR 17 HG1 THR 17 89.445 -10.451 16.032 110 HG21 THR 17 HG21 THR 17 86.916 -10.699 15.264 111 HG22 THR 17 HG22 THR 17 86.317 -9.181 14.589 112 HG23 THR 17 HG23 THR 17 86.797 -9.264 16.284 113 H TRP 18 HN TRP 18 89.266 -8.962 11.467 114 HA TRP 18 HA TRP 18 92.134 -8.267 12.012 115 HB2 TRP 18 HB2 TRP 18 91.847 -8.256 9.228 116 HB3 TRP 18 HB1 TRP 18 92.616 -9.524 10.167 117 HD1 TRP 18 HD1 TRP 18 89.409 -8.697 8.307 118 HE1 TRP 18 HE1 TRP 18 88.030 -10.858 8.029 119 HE3 TRP 18 HE3 TRP 18 92.120 -11.862 11.259 120 HZ2 TRP 18 HZ2 TRP 18 88.069 -13.570 8.941 121 HZ3 TRP 18 HZ3 TRP 18 91.430 -14.226 11.535 122 HH2 TRP 18 HH2 TRP 18 89.409 -15.083 10.382 123 H GLU 19 HN GLU 19 92.378 -6.097 12.137 124 HA GLU 19 HA GLU 19 90.163 -4.372 11.365 125 HB2 GLU 19 HB2 GLU 19 92.314 -2.672 11.995 126 HB3 GLU 19 HB1 GLU 19 91.027 -3.166 13.084 127 HG2 GLU 19 HG2 GLU 19 93.251 -3.609 14.033 128 HG3 GLU 19 HG1 GLU 19 92.334 -5.097 13.788 129 H LEU 20 HN LEU 20 89.915 -3.307 9.501 130 HA LEU 20 HA LEU 20 91.987 -3.588 7.432 131 HB2 LEU 20 HB2 LEU 20 89.147 -3.326 7.452 132 HB3 LEU 20 HB1 LEU 20 89.744 -1.871 6.671 133 HG LEU 20 HG LEU 20 89.381 -3.539 4.971 134 HD11 LEU 20 HD11 LEU 20 91.684 -2.147 5.175 135 HD12 LEU 20 HD12 LEU 20 91.331 -3.237 3.836 136 HD13 LEU 20 HD13 LEU 20 92.345 -3.785 5.167 137 HD21 LEU 20 HD21 LEU 20 90.080 -5.768 5.072 138 HD22 LEU 20 HD22 LEU 20 89.713 -5.459 6.764 139 HD23 LEU 20 HD23 LEU 20 91.383 -5.424 6.202 140 H SER 21 HN SER 21 93.361 -1.947 6.853 141 HA SER 21 HA SER 21 93.479 0.380 8.608 142 HB2 SER 21 HB2 SER 21 95.420 -0.965 7.402 143 HB3 SER 21 HB1 SER 21 95.110 0.182 6.097 144 HG SER 21 HG SER 21 95.412 1.025 8.779 145 H VAL 22 HN VAL 22 93.132 2.517 8.057 146 HA VAL 22 HA VAL 22 92.030 3.086 5.353 147 HB VAL 22 HB VAL 22 90.675 3.727 7.987 148 HG11 VAL 22 HG11 VAL 22 90.654 5.835 6.851 149 HG12 VAL 22 HG12 VAL 22 89.099 5.091 6.483 150 HG13 VAL 22 HG13 VAL 22 90.392 5.069 5.283 151 HG21 VAL 22 HG21 VAL 22 89.777 2.506 5.353 152 HG22 VAL 22 HG22 VAL 22 88.728 2.796 6.746 153 HG23 VAL 22 HG23 VAL 22 90.053 1.632 6.866 154 H HIS 23 HN HIS 23 93.524 4.403 4.578 155 HA HIS 23 HA HIS 23 95.010 6.285 6.250 156 HB2 HIS 23 HB2 HIS 23 94.896 5.551 3.345 157 HB3 HIS 23 HB1 HIS 23 95.717 7.030 3.805 158 HD1 HIS 23 HD1 HIS 23 97.919 5.715 2.925 159 HD2 HIS 23 HD2 HIS 23 96.182 4.228 6.412 160 HE1 HIS 23 HE1 HIS 23 99.653 4.221 4.010 161 H VAL 24 HN VAL 24 93.702 7.939 7.048 162 HA VAL 24 HA VAL 24 91.563 9.055 5.443 163 HB VAL 24 HB VAL 24 92.775 10.579 7.740 164 HG11 VAL 24 HG11 VAL 24 90.472 11.104 8.208 165 HG12 VAL 24 HG12 VAL 24 89.902 9.842 7.123 166 HG13 VAL 24 HG13 VAL 24 90.681 11.281 6.468 167 HG21 VAL 24 HG21 VAL 24 91.313 7.929 7.914 168 HG22 VAL 24 HG22 VAL 24 91.417 9.058 9.268 169 HG23 VAL 24 HG23 VAL 24 92.885 8.338 8.608 170 H THR 25 HN THR 25 92.300 9.826 3.540 171 HA THR 25 HA THR 25 94.779 11.191 3.168 172 HB THR 25 HB THR 25 94.049 11.501 0.910 173 HG1 THR 25 HG1 THR 25 91.774 11.132 0.446 174 HG21 THR 25 HG21 THR 25 92.573 9.022 1.824 175 HG22 THR 25 HG22 THR 25 94.334 9.109 1.792 176 HG23 THR 25 HG23 THR 25 93.416 9.279 0.295 177 H ASP 26 HN ASP 26 91.422 12.478 3.323 178 HA ASP 26 HA ASP 26 92.303 15.220 3.054 179 HB2 ASP 26 HB2 ASP 26 89.731 13.946 3.999 180 HB3 ASP 26 HB1 ASP 26 89.960 15.695 4.022 181 H LEU 27 HN LEU 27 93.225 13.256 5.342 182 HA LEU 27 HA LEU 27 93.309 15.383 7.426 183 HB2 LEU 27 HB2 LEU 27 91.966 12.775 7.596 184 HB3 LEU 27 HB1 LEU 27 93.062 13.047 8.933 185 HG LEU 27 HG LEU 27 91.078 15.174 8.107 186 HD11 LEU 27 HD11 LEU 27 89.660 13.277 8.461 187 HD12 LEU 27 HD12 LEU 27 89.614 14.208 9.958 188 HD13 LEU 27 HD13 LEU 27 90.604 12.750 9.855 189 HD21 LEU 27 HD21 LEU 27 92.111 14.486 10.865 190 HD22 LEU 27 HD22 LEU 27 91.453 16.018 10.290 191 HD23 LEU 27 HD23 LEU 27 93.052 15.493 9.761 192 H ASN 28 HN ASN 28 94.639 12.585 5.861 193 HA ASN 28 HA ASN 28 96.867 11.904 5.664 194 HB2 ASN 28 HB2 ASN 28 97.352 14.409 6.161 195 HB3 ASN 28 HB1 ASN 28 97.715 13.870 7.794 196 HD21 ASN 28 HD21 ASN 28 98.573 11.198 6.510 197 HD22 ASN 28 HD22 ASN 28 100.155 11.502 5.986 198 H ARG 29 HN ARG 29 94.837 11.290 8.028 199 HA ARG 29 HA ARG 29 96.787 10.151 9.943 200 HB2 ARG 29 HB2 ARG 29 93.768 10.217 9.989 201 HB3 ARG 29 HB1 ARG 29 94.804 9.612 11.282 202 HG2 ARG 29 HG2 ARG 29 95.792 11.801 11.589 203 HG3 ARG 29 HG1 ARG 29 94.913 12.433 10.204 204 HD2 ARG 29 HD2 ARG 29 93.608 13.126 12.041 205 HD3 ARG 29 HD1 ARG 29 92.781 11.680 11.463 206 HE ARG 29 HE ARG 29 94.354 11.906 13.963 207 HH11 ARG 29 HH11 ARG 29 94.070 10.193 15.396 208 HH12 ARG 29 HH12 ARG 29 93.231 8.769 14.875 209 HH21 ARG 29 HH21 ARG 29 92.651 9.945 11.671 210 HH22 ARG 29 HH22 ARG 29 92.432 8.632 12.775 211 H ASP 30 HN ASP 30 95.810 7.959 10.788 212 HA ASP 30 HA ASP 30 95.004 6.206 8.534 213 HB2 ASP 30 HB2 ASP 30 97.368 5.764 10.374 214 HB3 ASP 30 HB1 ASP 30 96.623 4.481 9.418 215 H VAL 31 HN VAL 31 93.155 5.374 9.197 216 HA VAL 31 HA VAL 31 92.806 4.745 12.104 217 HB VAL 31 HB VAL 31 90.655 5.157 10.002 218 HG11 VAL 31 HG11 VAL 31 89.268 5.412 12.095 219 HG12 VAL 31 HG12 VAL 31 90.674 4.866 13.009 220 HG13 VAL 31 HG13 VAL 31 89.917 3.793 11.835 221 HG21 VAL 31 HG21 VAL 31 90.371 7.385 10.872 222 HG22 VAL 31 HG22 VAL 31 92.094 7.218 10.540 223 HG23 VAL 31 HG23 VAL 31 91.498 7.085 12.194 224 H THR 32 HN THR 32 91.656 2.777 12.588 225 HA THR 32 HA THR 32 91.736 0.720 10.425 226 HB THR 32 HB THR 32 92.387 -0.536 12.929 227 HG1 THR 32 HG1 THR 32 94.521 0.951 12.743 228 HG21 THR 32 HG21 THR 32 93.127 -1.094 10.508 229 HG22 THR 32 HG22 THR 32 94.316 -1.311 11.790 230 HG23 THR 32 HG23 THR 32 94.384 0.119 10.755 231 H LEU 33 HN LEU 33 89.974 -0.580 10.373 232 HA LEU 33 HA LEU 33 87.899 -0.167 12.481 233 HB2 LEU 33 HB2 LEU 33 87.780 -0.921 9.555 234 HB3 LEU 33 HB1 LEU 33 86.407 -1.131 10.623 235 HG LEU 33 HG LEU 33 86.296 0.998 9.382 236 HD11 LEU 33 HD11 LEU 33 85.578 0.625 11.924 237 HD12 LEU 33 HD12 LEU 33 85.458 2.202 11.154 238 HD13 LEU 33 HD13 LEU 33 86.817 1.847 12.209 239 HD21 LEU 33 HD21 LEU 33 87.944 2.604 9.444 240 HD22 LEU 33 HD22 LEU 33 88.942 1.169 9.550 241 HD23 LEU 33 HD23 LEU 33 88.557 2.086 11.012 242 H ARG 34 HN ARG 34 88.012 -1.810 13.891 243 HA ARG 34 HA ARG 34 89.054 -4.412 13.368 244 HB2 ARG 34 HB2 ARG 34 88.683 -3.441 15.666 245 HB3 ARG 34 HB1 ARG 34 86.954 -3.666 15.425 246 HG2 ARG 34 HG2 ARG 34 87.644 -5.608 16.608 247 HG3 ARG 34 HG1 ARG 34 87.491 -6.127 14.933 248 HD2 ARG 34 HD2 ARG 34 89.804 -6.223 14.610 249 HD3 ARG 34 HD1 ARG 34 90.150 -5.161 15.974 250 HE ARG 34 HE ARG 34 88.878 -7.693 16.721 251 HH11 ARG 34 HH11 ARG 34 90.165 -9.079 17.962 252 HH12 ARG 34 HH12 ARG 34 91.862 -8.767 18.104 253 HH21 ARG 34 HH21 ARG 34 91.781 -5.935 16.105 254 HH22 ARG 34 HH22 ARG 34 92.777 -6.988 17.053 255 H VAL 35 HN VAL 35 88.181 -5.427 11.601 256 HA VAL 35 HA VAL 35 85.231 -5.965 11.645 257 HB VAL 35 HB VAL 35 85.304 -5.831 9.161 258 HG11 VAL 35 HG11 VAL 35 86.034 -3.416 10.818 259 HG12 VAL 35 HG12 VAL 35 84.436 -3.908 10.257 260 HG13 VAL 35 HG13 VAL 35 85.618 -3.280 9.109 261 HG21 VAL 35 HG21 VAL 35 88.122 -4.889 9.724 262 HG22 VAL 35 HG22 VAL 35 87.289 -4.538 8.214 263 HG23 VAL 35 HG23 VAL 35 87.609 -6.208 8.675 264 H THR 36 HN THR 36 84.997 -7.572 9.558 265 HA THR 36 HA THR 36 87.034 -9.720 9.729 266 HB THR 36 HB THR 36 85.066 -11.363 9.907 267 HG1 THR 36 HG1 THR 36 83.234 -10.458 10.937 268 HG21 THR 36 HG21 THR 36 84.862 -10.958 12.428 269 HG22 THR 36 HG22 THR 36 85.929 -9.581 12.171 270 HG23 THR 36 HG23 THR 36 86.482 -11.209 11.784 271 H GLY 37 HN GLY 37 86.289 -11.436 7.953 272 HA2 GLY 37 HA2 GLY 37 85.858 -9.885 5.528 273 HA3 GLY 37 HA1 GLY 37 86.167 -11.613 5.593 274 H GLU 38 HN GLU 38 83.650 -9.657 7.143 275 HA GLU 38 HA GLU 38 81.584 -10.917 5.440 276 HB2 GLU 38 HB2 GLU 38 80.344 -11.816 7.245 277 HB3 GLU 38 HB1 GLU 38 81.998 -12.343 7.520 278 HG2 GLU 38 HG2 GLU 38 81.570 -11.525 9.645 279 HG3 GLU 38 HG1 GLU 38 82.074 -10.014 8.891 280 H VAL 39 HN VAL 39 82.882 -8.192 6.699 281 HA VAL 39 HA VAL 39 80.343 -6.881 7.423 282 HB VAL 39 HB VAL 39 81.627 -5.068 8.167 283 HG11 VAL 39 HG11 VAL 39 83.564 -7.330 8.561 284 HG12 VAL 39 HG12 VAL 39 81.968 -7.356 9.308 285 HG13 VAL 39 HG13 VAL 39 83.099 -6.067 9.701 286 HG21 VAL 39 HG21 VAL 39 83.861 -6.120 6.406 287 HG22 VAL 39 HG22 VAL 39 84.061 -4.813 7.571 288 HG23 VAL 39 HG23 VAL 39 82.982 -4.601 6.205 289 H HIS 40 HN HIS 40 79.262 -5.441 6.131 290 HA HIS 40 HA HIS 40 80.010 -5.382 3.286 291 HB2 HIS 40 HB2 HIS 40 77.770 -3.704 4.388 292 HB3 HIS 40 HB1 HIS 40 77.852 -4.624 2.884 293 HD1 HIS 40 HD1 HIS 40 77.442 -7.212 3.037 294 HD2 HIS 40 HD2 HIS 40 76.851 -5.166 6.621 295 HE1 HIS 40 HE1 HIS 40 76.221 -8.807 4.580 296 H ILE 41 HN ILE 41 80.667 -3.482 2.158 297 HA ILE 41 HA ILE 41 82.424 -1.709 3.391 298 HB ILE 41 HB ILE 41 80.611 -1.029 1.064 299 HG12 ILE 41 HG12 ILE 41 83.408 -2.194 1.011 300 HG13 ILE 41 HG11 ILE 41 81.946 -3.171 0.878 301 HG21 ILE 41 HG21 ILE 41 82.658 0.381 0.462 302 HG22 ILE 41 HG22 ILE 41 83.205 0.114 2.116 303 HG23 ILE 41 HG23 ILE 41 81.687 0.960 1.814 304 HD11 ILE 41 HD11 ILE 41 82.261 -0.802 -0.936 305 HD12 ILE 41 HD12 ILE 41 81.383 -2.304 -1.196 306 HD13 ILE 41 HD13 ILE 41 83.142 -2.284 -1.302 307 H GLY 42 HN GLY 42 79.027 -0.944 2.569 308 HA2 GLY 42 HA2 GLY 42 78.919 1.564 3.847 309 HA3 GLY 42 HA1 GLY 42 77.524 0.502 3.643 310 H GLY 43 HN GLY 43 79.320 -1.537 5.139 311 HA2 GLY 43 HA2 GLY 43 78.181 -1.003 7.780 312 HA3 GLY 43 HA1 GLY 43 79.187 -2.385 7.334 313 H VAL 44 HN VAL 44 81.209 -0.597 6.149 314 HA VAL 44 HA VAL 44 82.765 -0.082 8.575 315 HB VAL 44 HB VAL 44 83.265 -0.102 5.610 316 HG11 VAL 44 HG11 VAL 44 84.268 2.010 6.028 317 HG12 VAL 44 HG12 VAL 44 85.602 0.861 6.129 318 HG13 VAL 44 HG13 VAL 44 84.876 1.502 7.603 319 HG21 VAL 44 HG21 VAL 44 85.055 -1.576 6.209 320 HG22 VAL 44 HG22 VAL 44 83.677 -2.041 7.206 321 HG23 VAL 44 HG23 VAL 44 84.984 -1.081 7.900 322 H MET 45 HN MET 45 81.167 1.790 6.006 323 HA MET 45 HA MET 45 82.056 4.372 6.675 324 HB2 MET 45 HB2 MET 45 79.318 3.419 5.787 325 HB3 MET 45 HB1 MET 45 79.723 5.124 5.953 326 HG2 MET 45 HG2 MET 45 81.775 4.451 4.390 327 HG3 MET 45 HG1 MET 45 80.696 3.135 3.928 328 HE1 MET 45 HE1 MET 45 77.593 4.777 2.516 329 HE2 MET 45 HE2 MET 45 78.076 3.734 3.850 330 HE3 MET 45 HE3 MET 45 78.705 3.420 2.231 331 H LEU 46 HN LEU 46 79.553 2.376 8.157 332 HA LEU 46 HA LEU 46 78.602 4.329 10.026 333 HB2 LEU 46 HB2 LEU 46 77.655 1.961 9.405 334 HB3 LEU 46 HB1 LEU 46 78.733 1.384 10.673 335 HG LEU 46 HG LEU 46 77.621 3.364 12.081 336 HD11 LEU 46 HD11 LEU 46 76.274 4.266 10.251 337 HD12 LEU 46 HD12 LEU 46 75.216 3.599 11.493 338 HD13 LEU 46 HD13 LEU 46 75.508 2.693 10.008 339 HD21 LEU 46 HD21 LEU 46 76.141 0.777 11.505 340 HD22 LEU 46 HD22 LEU 46 75.980 1.771 12.955 341 HD23 LEU 46 HD23 LEU 46 77.499 0.940 12.619 342 H LYS 47 HN LYS 47 80.863 1.619 10.606 343 HA LYS 47 HA LYS 47 81.582 2.333 13.218 344 HB2 LYS 47 HB2 LYS 47 83.427 1.099 11.171 345 HB3 LYS 47 HB1 LYS 47 83.533 0.949 12.928 346 HG2 LYS 47 HG2 LYS 47 81.360 -0.197 12.969 347 HG3 LYS 47 HG1 LYS 47 81.236 -0.028 11.218 348 HD2 LYS 47 HD2 LYS 47 83.250 -1.389 10.914 349 HD3 LYS 47 HD1 LYS 47 83.445 -1.518 12.662 350 HE2 LYS 47 HE2 LYS 47 80.923 -2.428 11.269 351 HE3 LYS 47 HE1 LYS 47 82.307 -3.499 11.488 352 HZ1 LYS 47 HZ1 LYS 47 81.564 -2.076 13.872 353 HZ2 LYS 47 HZ2 LYS 47 81.876 -3.731 13.647 354 HZ3 LYS 47 HZ3 LYS 47 80.338 -3.098 13.297 355 H LEU 48 HN LEU 48 83.552 3.100 10.296 356 HA LEU 48 HA LEU 48 85.478 4.687 11.493 357 HB2 LEU 48 HB2 LEU 48 85.308 4.111 9.036 358 HB3 LEU 48 HB1 LEU 48 84.133 5.411 8.876 359 HG LEU 48 HG LEU 48 85.811 7.055 9.577 360 HD11 LEU 48 HD11 LEU 48 88.281 6.034 9.610 361 HD12 LEU 48 HD12 LEU 48 87.411 4.626 10.212 362 HD13 LEU 48 HD13 LEU 48 87.298 6.151 11.073 363 HD21 LEU 48 HD21 LEU 48 87.210 6.956 7.619 364 HD22 LEU 48 HD22 LEU 48 85.641 6.275 7.188 365 HD23 LEU 48 HD23 LEU 48 87.007 5.207 7.507 366 H VAL 49 HN VAL 49 82.172 5.660 10.689 367 HA VAL 49 HA VAL 49 82.512 8.435 11.477 368 HB VAL 49 HB VAL 49 80.055 6.662 11.265 369 HG11 VAL 49 HG11 VAL 49 80.337 9.573 12.006 370 HG12 VAL 49 HG12 VAL 49 79.414 8.312 12.823 371 HG13 VAL 49 HG13 VAL 49 78.855 8.953 11.278 372 HG21 VAL 49 HG21 VAL 49 80.217 8.951 9.424 373 HG22 VAL 49 HG22 VAL 49 79.990 7.248 9.054 374 HG23 VAL 49 HG23 VAL 49 81.616 7.890 9.247 375 H GLU 50 HN GLU 50 80.983 5.629 13.041 376 HA GLU 50 HA GLU 50 80.285 6.643 15.509 377 HB2 GLU 50 HB2 GLU 50 81.533 3.987 14.808 378 HB3 GLU 50 HB1 GLU 50 80.905 4.337 16.410 379 HG2 GLU 50 HG2 GLU 50 79.259 4.632 13.880 380 HG3 GLU 50 HG1 GLU 50 79.271 3.168 14.866 381 H LYS 51 HN LYS 51 83.528 5.434 14.639 382 HA LYS 51 HA LYS 51 84.687 5.842 17.187 383 HB2 LYS 51 HB2 LYS 51 86.047 6.009 14.502 384 HB3 LYS 51 HB1 LYS 51 86.824 5.722 16.059 385 HG2 LYS 51 HG2 LYS 51 85.232 3.729 16.324 386 HG3 LYS 51 HG1 LYS 51 84.870 3.928 14.615 387 HD2 LYS 51 HD2 LYS 51 87.494 3.184 15.915 388 HD3 LYS 51 HD1 LYS 51 86.590 2.302 14.692 389 HE2 LYS 51 HE2 LYS 51 88.336 3.246 13.454 390 HE3 LYS 51 HE1 LYS 51 87.025 4.390 13.195 391 HZ1 LYS 51 HZ1 LYS 51 88.384 5.071 15.555 392 HZ2 LYS 51 HZ2 LYS 51 88.248 5.969 14.120 393 HZ3 LYS 51 HZ3 LYS 51 89.526 4.871 14.323 394 H LEU 52 HN LEU 52 84.998 8.010 14.321 395 HA LEU 52 HA LEU 52 86.265 10.118 15.687 396 HB2 LEU 52 HB2 LEU 52 85.572 9.708 13.117 397 HB3 LEU 52 HB1 LEU 52 84.233 10.751 13.575 398 HG LEU 52 HG LEU 52 85.897 12.400 14.448 399 HD11 LEU 52 HD11 LEU 52 87.944 11.454 14.849 400 HD12 LEU 52 HD12 LEU 52 88.258 11.917 13.180 401 HD13 LEU 52 HD13 LEU 52 87.774 10.264 13.562 402 HD21 LEU 52 HD21 LEU 52 86.080 11.611 11.526 403 HD22 LEU 52 HD22 LEU 52 86.620 13.161 12.167 404 HD23 LEU 52 HD23 LEU 52 84.915 12.723 12.242 405 H ASP 53 HN ASP 53 82.851 9.554 15.064 406 HA ASP 53 HA ASP 53 80.933 10.166 16.215 407 HB2 ASP 53 HB2 ASP 53 82.497 9.364 18.108 408 HB3 ASP 53 HB1 ASP 53 82.672 11.066 18.494 409 H VAL 54 HN VAL 54 80.956 11.868 14.575 410 HA VAL 54 HA VAL 54 80.461 14.435 15.767 411 HB VAL 54 HB VAL 54 82.843 14.615 15.877 412 HG11 VAL 54 HG11 VAL 54 84.249 14.254 13.871 413 HG12 VAL 54 HG12 VAL 54 82.816 13.715 12.993 414 HG13 VAL 54 HG13 VAL 54 83.403 12.789 14.379 415 HG21 VAL 54 HG21 VAL 54 82.051 16.037 13.322 416 HG22 VAL 54 HG22 VAL 54 83.242 16.554 14.515 417 HG23 VAL 54 HG23 VAL 54 81.525 16.574 14.917 418 H LYS 55 HN LYS 55 79.345 15.766 14.380 419 HA LYS 55 HA LYS 55 78.219 14.552 12.012 420 HB2 LYS 55 HB2 LYS 55 78.077 17.309 13.215 421 HB3 LYS 55 HB1 LYS 55 77.238 16.883 11.730 422 HG2 LYS 55 HG2 LYS 55 76.938 15.307 14.296 423 HG3 LYS 55 HG1 LYS 55 75.901 16.656 13.882 424 HD2 LYS 55 HD2 LYS 55 75.709 15.173 11.578 425 HD3 LYS 55 HD1 LYS 55 75.937 13.908 12.750 426 HE2 LYS 55 HE2 LYS 55 74.093 15.160 14.122 427 HE3 LYS 55 HE1 LYS 55 73.692 15.890 12.570 428 HZ1 LYS 55 HZ1 LYS 55 73.179 13.257 13.509 429 HZ2 LYS 55 HZ2 LYS 55 74.026 13.231 12.038 430 HZ3 LYS 55 HZ3 LYS 55 72.548 14.059 12.154 431 H LYS 56 HN LYS 56 81.007 14.586 11.751 432 HA LYS 56 HA LYS 56 81.893 16.928 10.274 433 HB2 LYS 56 HB2 LYS 56 83.464 15.510 11.540 434 HB3 LYS 56 HB1 LYS 56 83.100 14.150 10.480 435 HG2 LYS 56 HG2 LYS 56 84.177 15.131 8.634 436 HG3 LYS 56 HG1 LYS 56 84.095 16.753 9.323 437 HD2 LYS 56 HD2 LYS 56 85.739 16.141 11.032 438 HD3 LYS 56 HD1 LYS 56 85.772 14.482 10.435 439 HE2 LYS 56 HE2 LYS 56 86.706 16.971 8.986 440 HE3 LYS 56 HE1 LYS 56 87.686 15.600 9.501 441 HZ1 LYS 56 HZ1 LYS 56 85.574 15.607 7.418 442 HZ2 LYS 56 HZ2 LYS 56 86.321 14.198 8.004 443 HZ3 LYS 56 HZ3 LYS 56 87.238 15.373 7.189 444 H ASP 57 HN ASP 57 82.859 16.585 7.998 445 HA ASP 57 HA ASP 57 80.837 16.153 6.125 446 HB2 ASP 57 HB2 ASP 57 83.745 15.591 5.529 447 HB3 ASP 57 HB1 ASP 57 82.520 16.262 4.454 448 H TRP 58 HN TRP 58 79.712 14.210 6.570 449 HA TRP 58 HA TRP 58 81.167 11.661 6.025 450 HB2 TRP 58 HB2 TRP 58 78.696 12.357 7.601 451 HB3 TRP 58 HB1 TRP 58 79.125 10.705 7.189 452 HD1 TRP 58 HD1 TRP 58 79.523 13.057 9.890 453 HE1 TRP 58 HE1 TRP 58 81.547 12.502 11.392 454 HE3 TRP 58 HE3 TRP 58 81.956 9.690 6.898 455 HZ2 TRP 58 HZ2 TRP 58 83.875 10.854 11.318 456 HZ3 TRP 58 HZ3 TRP 58 84.070 8.648 7.653 457 HH2 TRP 58 HH2 TRP 58 85.033 9.230 9.859 458 H SER 59 HN SER 59 78.888 13.864 4.897 459 HA SER 59 HA SER 59 77.009 12.276 3.514 460 HB2 SER 59 HB2 SER 59 76.990 14.813 3.747 461 HB3 SER 59 HB1 SER 59 78.185 14.860 2.460 462 HG SER 59 HG SER 59 76.387 13.314 1.514 463 H ASP 60 HN ASP 60 80.014 13.701 2.269 464 HA ASP 60 HA ASP 60 79.902 12.012 -0.148 465 HB2 ASP 60 HB2 ASP 60 80.531 14.466 -0.097 466 HB3 ASP 60 HB1 ASP 60 82.011 13.974 0.727 467 H HIS 61 HN HIS 61 80.740 11.231 2.823 468 HA HIS 61 HA HIS 61 83.472 10.338 2.577 469 HB2 HIS 61 HB2 HIS 61 82.836 10.523 4.809 470 HB3 HIS 61 HB1 HIS 61 81.227 9.905 4.501 471 HD1 HIS 61 HD1 HIS 61 84.697 8.363 4.042 472 HD2 HIS 61 HD2 HIS 61 80.997 7.491 5.748 473 HE1 HIS 61 HE1 HIS 61 84.874 6.024 4.999 474 H ALA 62 HN ALA 62 84.283 8.493 1.785 475 HA ALA 62 HA ALA 62 82.796 6.042 1.448 476 HB1 ALA 62 HB1 ALA 62 83.131 7.914 -0.883 477 HB2 ALA 62 HB2 ALA 62 81.737 6.925 -0.446 478 HB3 ALA 62 HB3 ALA 62 83.163 6.171 -1.161 479 H LEU 63 HN LEU 63 84.273 4.323 0.884 480 HA LEU 63 HA LEU 63 87.135 5.131 1.131 481 HB2 LEU 63 HB2 LEU 63 85.944 2.344 1.169 482 HB3 LEU 63 HB1 LEU 63 87.568 2.803 1.649 483 HG LEU 63 HG LEU 63 86.278 2.519 3.649 484 HD11 LEU 63 HD11 LEU 63 86.307 5.502 3.266 485 HD12 LEU 63 HD12 LEU 63 87.807 4.577 3.349 486 HD13 LEU 63 HD13 LEU 63 86.692 4.574 4.714 487 HD21 LEU 63 HD21 LEU 63 84.292 4.673 3.047 488 HD22 LEU 63 HD22 LEU 63 84.106 3.196 3.984 489 HD23 LEU 63 HD23 LEU 63 84.046 3.130 2.227 490 H TRP 64 HN TRP 64 88.733 4.491 -0.349 491 HA TRP 64 HA TRP 64 87.787 3.322 -2.949 492 HB2 TRP 64 HB2 TRP 64 88.255 5.268 -4.027 493 HB3 TRP 64 HB1 TRP 64 88.626 6.012 -2.497 494 HD1 TRP 64 HD1 TRP 64 90.674 3.500 -4.663 495 HE1 TRP 64 HE1 TRP 64 93.023 4.491 -4.990 496 HE3 TRP 64 HE3 TRP 64 90.115 7.967 -2.254 497 HZ2 TRP 64 HZ2 TRP 64 94.461 6.871 -4.390 498 HZ3 TRP 64 HZ3 TRP 64 91.987 9.586 -2.167 499 HH2 TRP 64 HH2 TRP 64 94.159 9.044 -3.231 500 H TRP 65 HN TRP 65 89.122 1.796 -3.792 501 HA TRP 65 HA TRP 65 91.451 0.967 -2.147 502 HB2 TRP 65 HB2 TRP 65 89.480 -0.566 -2.818 503 HB3 TRP 65 HB1 TRP 65 90.189 -0.565 -4.424 504 HD1 TRP 65 HD1 TRP 65 93.125 -0.430 -2.360 505 HE1 TRP 65 HE1 TRP 65 94.082 -2.766 -1.893 506 HE3 TRP 65 HE3 TRP 65 89.110 -3.313 -3.660 507 HZ2 TRP 65 HZ2 TRP 65 93.263 -5.498 -2.034 508 HZ3 TRP 65 HZ3 TRP 65 89.233 -5.780 -3.488 509 HH2 TRP 65 HH2 TRP 65 91.302 -6.878 -2.673 510 H GLU 66 HN GLU 66 93.061 2.451 -3.001 511 HA GLU 66 HA GLU 66 93.438 3.002 -5.752 512 HB2 GLU 66 HB2 GLU 66 95.842 3.502 -5.109 513 HB3 GLU 66 HB1 GLU 66 94.611 4.374 -4.202 514 HG2 GLU 66 HG2 GLU 66 94.745 2.668 -2.426 515 HG3 GLU 66 HG1 GLU 66 96.039 1.878 -3.318 516 H LYS 67 HN LYS 67 94.207 0.082 -4.004 517 HA LYS 67 HA LYS 67 96.227 -0.865 -5.814 518 HB2 LYS 67 HB2 LYS 67 94.147 -2.395 -4.271 519 HB3 LYS 67 HB1 LYS 67 95.403 -3.155 -5.213 520 HG2 LYS 67 HG2 LYS 67 95.733 -2.760 -2.624 521 HG3 LYS 67 HG1 LYS 67 97.071 -2.613 -3.721 522 HD2 LYS 67 HD2 LYS 67 96.862 -0.194 -3.724 523 HD3 LYS 67 HD1 LYS 67 95.410 -0.291 -2.725 524 HE2 LYS 67 HE2 LYS 67 97.250 0.214 -1.262 525 HE3 LYS 67 HE1 LYS 67 96.804 -1.470 -0.983 526 HZ1 LYS 67 HZ1 LYS 67 99.197 -1.208 -1.199 527 HZ2 LYS 67 HZ2 LYS 67 99.003 -0.535 -2.747 528 HZ3 LYS 67 HZ3 LYS 67 98.579 -2.155 -2.463 529 H LYS 68 HN LYS 68 92.994 -0.085 -6.024 530 HA LYS 68 HA LYS 68 92.632 -1.419 -8.670 531 HB2 LYS 68 HB2 LYS 68 90.290 -0.872 -6.857 532 HB3 LYS 68 HB1 LYS 68 90.457 -2.084 -8.123 533 HG2 LYS 68 HG2 LYS 68 92.077 -2.216 -5.559 534 HG3 LYS 68 HG1 LYS 68 90.480 -2.919 -5.703 535 HD2 LYS 68 HD2 LYS 68 91.162 -4.400 -7.446 536 HD3 LYS 68 HD1 LYS 68 92.691 -3.547 -7.657 537 HE2 LYS 68 HE2 LYS 68 93.633 -4.495 -5.763 538 HE3 LYS 68 HE1 LYS 68 92.087 -4.699 -4.951 539 HZ1 LYS 68 HZ1 LYS 68 93.000 -6.813 -5.677 540 HZ2 LYS 68 HZ2 LYS 68 93.036 -6.270 -7.286 541 HZ3 LYS 68 HZ3 LYS 68 91.550 -6.476 -6.488 542 H ARG 69 HN ARG 69 92.594 1.463 -6.822 543 HA ARG 69 HA ARG 69 91.885 3.656 -7.316 544 HB2 ARG 69 HB2 ARG 69 92.226 2.523 -10.116 545 HB3 ARG 69 HB1 ARG 69 91.784 4.195 -9.811 546 HG2 ARG 69 HG2 ARG 69 94.098 4.393 -9.976 547 HG3 ARG 69 HG1 ARG 69 93.924 4.166 -8.239 548 HD2 ARG 69 HD2 ARG 69 95.612 2.632 -8.822 549 HD3 ARG 69 HD1 ARG 69 94.163 1.633 -8.775 550 HE ARG 69 HE ARG 69 94.663 2.726 -11.422 551 HH11 ARG 69 HH11 ARG 69 95.276 1.231 -13.003 552 HH12 ARG 69 HH12 ARG 69 95.818 -0.343 -12.523 553 HH21 ARG 69 HH21 ARG 69 95.436 0.270 -9.130 554 HH22 ARG 69 HH22 ARG 69 95.909 -0.887 -10.329 555 H THR 70 HN THR 70 89.938 1.906 -6.519 556 HA THR 70 HA THR 70 87.627 2.455 -8.363 557 HB THR 70 HB THR 70 88.305 0.061 -7.732 558 HG1 THR 70 HG1 THR 70 85.703 0.538 -6.891 559 HG21 THR 70 HG21 THR 70 88.521 0.850 -5.224 560 HG22 THR 70 HG22 THR 70 87.939 -0.772 -5.599 561 HG23 THR 70 HG23 THR 70 86.792 0.505 -5.195 562 H TRP 71 HN TRP 71 85.559 2.261 -6.842 563 HA TRP 71 HA TRP 71 85.911 4.038 -4.477 564 HB2 TRP 71 HB2 TRP 71 83.423 4.712 -5.289 565 HB3 TRP 71 HB1 TRP 71 84.846 5.586 -5.827 566 HD1 TRP 71 HD1 TRP 71 82.887 2.449 -7.012 567 HE1 TRP 71 HE1 TRP 71 82.844 2.451 -9.542 568 HE3 TRP 71 HE3 TRP 71 85.613 6.666 -7.912 569 HZ2 TRP 71 HZ2 TRP 71 83.821 4.034 -11.728 570 HZ3 TRP 71 HZ3 TRP 71 86.039 7.399 -10.241 571 HH2 TRP 71 HH2 TRP 71 85.147 6.090 -12.148 572 H LEU 72 HN LEU 72 85.682 2.487 -2.947 573 HA LEU 72 HA LEU 72 84.163 0.131 -3.292 574 HB2 LEU 72 HB2 LEU 72 84.959 1.503 -0.724 575 HB3 LEU 72 HB1 LEU 72 84.485 -0.185 -0.877 576 HG LEU 72 HG LEU 72 86.753 1.002 -2.484 577 HD11 LEU 72 HD11 LEU 72 87.484 1.337 -0.270 578 HD12 LEU 72 HD12 LEU 72 88.219 -0.188 -0.766 579 HD13 LEU 72 HD13 LEU 72 86.794 -0.193 0.276 580 HD21 LEU 72 HD21 LEU 72 86.180 -1.038 -3.472 581 HD22 LEU 72 HD22 LEU 72 85.726 -1.778 -1.935 582 HD23 LEU 72 HD23 LEU 72 87.425 -1.537 -2.329 583 H LEU 73 HN LEU 73 82.191 0.752 -4.124 584 HA LEU 73 HA LEU 73 80.215 1.792 -2.120 585 HB2 LEU 73 HB2 LEU 73 78.909 2.702 -4.046 586 HB3 LEU 73 HB1 LEU 73 80.472 3.482 -3.848 587 HG LEU 73 HG LEU 73 81.257 1.605 -5.588 588 HD11 LEU 73 HD11 LEU 73 79.428 1.352 -7.336 589 HD12 LEU 73 HD12 LEU 73 78.281 1.876 -6.103 590 HD13 LEU 73 HD13 LEU 73 79.200 0.393 -5.880 591 HD21 LEU 73 HD21 LEU 73 79.705 4.110 -6.306 592 HD22 LEU 73 HD22 LEU 73 80.727 3.221 -7.434 593 HD23 LEU 73 HD23 LEU 73 81.436 3.989 -6.022 594 H LYS 74 HN LYS 74 81.241 -0.943 -3.382 595 HA LYS 74 HA LYS 74 78.730 -2.023 -4.440 596 HB2 LYS 74 HB2 LYS 74 81.516 -2.813 -4.401 597 HB3 LYS 74 HB1 LYS 74 80.547 -4.141 -3.813 598 HG2 LYS 74 HG2 LYS 74 80.803 -4.328 -6.240 599 HG3 LYS 74 HG1 LYS 74 79.123 -4.042 -5.819 600 HD2 LYS 74 HD2 LYS 74 80.076 -2.731 -7.812 601 HD3 LYS 74 HD1 LYS 74 79.181 -1.812 -6.617 602 HE2 LYS 74 HE2 LYS 74 81.155 -0.879 -5.700 603 HE3 LYS 74 HE1 LYS 74 82.169 -2.104 -6.448 604 HZ1 LYS 74 HZ1 LYS 74 82.169 0.139 -7.542 605 HZ2 LYS 74 HZ2 LYS 74 80.572 -0.181 -8.026 606 HZ3 LYS 74 HZ3 LYS 74 81.840 -1.175 -8.563 607 H THR 75 HN THR 75 77.379 -1.577 -2.570 608 HA THR 75 HA THR 75 77.996 -2.792 -0.007 609 HB THR 75 HB THR 75 75.155 -2.137 -0.451 610 HG1 THR 75 HG1 THR 75 75.397 -0.398 -1.549 611 HG21 THR 75 HG21 THR 75 77.105 -0.562 1.225 612 HG22 THR 75 HG22 THR 75 76.590 -2.171 1.736 613 HG23 THR 75 HG23 THR 75 75.398 -0.892 1.522 614 H HIS 76 HN HIS 76 76.758 -4.041 -2.930 615 HA HIS 76 HA HIS 76 75.185 -6.167 -1.591 616 HB2 HIS 76 HB2 HIS 76 75.093 -6.929 -4.170 617 HB3 HIS 76 HB1 HIS 76 74.049 -5.661 -3.539 618 HD1 HIS 76 HD1 HIS 76 76.294 -6.278 -6.241 619 HD2 HIS 76 HD2 HIS 76 75.465 -2.957 -3.862 620 HE1 HIS 76 HE1 HIS 76 77.107 -4.254 -7.527 621 H TRP 77 HN TRP 77 77.849 -6.191 -0.838 622 HA TRP 77 HA TRP 77 78.586 -8.895 -1.359 623 HB2 TRP 77 HB2 TRP 77 79.903 -6.752 -3.003 624 HB3 TRP 77 HB1 TRP 77 80.922 -8.047 -2.398 625 HD1 TRP 77 HD1 TRP 77 79.202 -10.580 -2.761 626 HE1 TRP 77 HE1 TRP 77 78.458 -11.387 -5.085 627 HE3 TRP 77 HE3 TRP 77 79.680 -6.239 -5.402 628 HZ2 TRP 77 HZ2 TRP 77 78.113 -10.341 -7.721 629 HZ3 TRP 77 HZ3 TRP 77 79.140 -6.172 -7.820 630 HH2 TRP 77 HH2 TRP 77 78.359 -8.218 -8.983 631 H THR 78 HN THR 78 81.274 -8.853 -0.615 632 HA THR 78 HA THR 78 81.424 -7.034 1.736 633 HB THR 78 HB THR 78 82.353 -9.745 2.394 634 HG1 THR 78 HG1 THR 78 79.820 -9.399 1.257 635 HG21 THR 78 HG21 THR 78 80.429 -9.419 4.135 636 HG22 THR 78 HG22 THR 78 80.401 -7.759 3.560 637 HG23 THR 78 HG23 THR 78 81.883 -8.430 4.255 638 H LEU 79 HN LEU 79 83.681 -7.952 2.865 639 HA LEU 79 HA LEU 79 85.776 -6.969 1.166 640 HB2 LEU 79 HB2 LEU 79 85.771 -8.534 3.743 641 HB3 LEU 79 HB1 LEU 79 87.266 -8.031 2.975 642 HG LEU 79 HG LEU 79 86.704 -5.701 3.238 643 HD11 LEU 79 HD11 LEU 79 84.020 -6.752 4.147 644 HD12 LEU 79 HD12 LEU 79 84.345 -5.685 2.777 645 HD13 LEU 79 HD13 LEU 79 84.544 -5.094 4.425 646 HD21 LEU 79 HD21 LEU 79 86.279 -5.639 5.775 647 HD22 LEU 79 HD22 LEU 79 87.668 -6.583 5.236 648 HD23 LEU 79 HD23 LEU 79 86.173 -7.400 5.694 649 H ASP 80 HN ASP 80 85.224 -10.178 2.561 650 HA ASP 80 HA ASP 80 87.065 -11.723 1.177 651 HB2 ASP 80 HB2 ASP 80 85.483 -12.544 2.892 652 HB3 ASP 80 HB1 ASP 80 84.171 -12.430 1.717 653 H LYS 81 HN LYS 81 83.751 -11.027 0.135 654 HA LYS 81 HA LYS 81 83.664 -12.320 -2.288 655 HB2 LYS 81 HB2 LYS 81 82.678 -9.487 -2.102 656 HB3 LYS 81 HB1 LYS 81 81.945 -10.851 -2.936 657 HG2 LYS 81 HG2 LYS 81 82.103 -10.392 0.045 658 HG3 LYS 81 HG1 LYS 81 80.655 -10.436 -0.954 659 HD2 LYS 81 HD2 LYS 81 81.210 -12.826 -1.514 660 HD3 LYS 81 HD1 LYS 81 82.488 -12.751 -0.305 661 HE2 LYS 81 HE2 LYS 81 80.974 -12.490 1.473 662 HE3 LYS 81 HE1 LYS 81 79.663 -11.979 0.410 663 HZ1 LYS 81 HZ1 LYS 81 79.029 -14.105 0.596 664 HZ2 LYS 81 HZ2 LYS 81 80.563 -14.641 1.093 665 HZ3 LYS 81 HZ3 LYS 81 80.234 -14.410 -0.558 666 H TYR 82 HN TYR 82 84.768 -8.967 -1.856 667 HA TYR 82 HA TYR 82 85.796 -8.810 -4.556 668 HB2 TYR 82 HB2 TYR 82 85.163 -6.966 -2.637 669 HB3 TYR 82 HB1 TYR 82 86.912 -6.964 -2.499 670 HD1 TYR 82 HD1 TYR 82 84.435 -5.151 -3.922 671 HD2 TYR 82 HD2 TYR 82 87.952 -7.299 -5.138 672 HE1 TYR 82 HE1 TYR 82 84.594 -3.741 -5.953 673 HE2 TYR 82 HE2 TYR 82 88.110 -5.888 -7.169 674 HH TYR 82 HH TYR 82 87.379 -3.786 -8.008 675 H GLY 83 HN GLY 83 87.282 -9.416 -1.375 676 HA2 GLY 83 HA2 GLY 83 89.132 -11.136 -1.400 677 HA3 GLY 83 HA1 GLY 83 89.794 -10.280 -2.794 678 H ILE 84 HN ILE 84 88.377 -8.196 -0.547 679 HA ILE 84 HA ILE 84 90.905 -6.952 0.089 680 HB ILE 84 HB ILE 84 88.144 -6.557 1.280 681 HG12 ILE 84 HG12 ILE 84 89.508 -4.727 -0.699 682 HG13 ILE 84 HG11 ILE 84 88.655 -6.155 -1.267 683 HG21 ILE 84 HG21 ILE 84 90.689 -4.914 1.439 684 HG22 ILE 84 HG22 ILE 84 89.803 -5.640 2.780 685 HG23 ILE 84 HG23 ILE 84 89.101 -4.298 1.888 686 HD11 ILE 84 HD11 ILE 84 87.302 -3.967 -1.121 687 HD12 ILE 84 HD12 ILE 84 87.351 -4.204 0.626 688 HD13 ILE 84 HD13 ILE 84 86.578 -5.409 -0.407 689 H GLN 85 HN GLN 85 91.688 -6.651 2.309 690 HA GLN 85 HA GLN 85 90.817 -8.327 4.475 691 HB2 GLN 85 HB2 GLN 85 92.124 -9.829 2.646 692 HB3 GLN 85 HB1 GLN 85 93.521 -9.207 3.515 693 HG2 GLN 85 HG2 GLN 85 93.087 -11.106 4.789 694 HG3 GLN 85 HG1 GLN 85 92.093 -9.936 5.653 695 HE21 GLN 85 HE21 GLN 85 89.921 -9.707 3.868 696 HE22 GLN 85 HE22 GLN 85 89.108 -11.186 3.794 697 H ALA 86 HN ALA 86 93.224 -8.552 5.864 698 HA ALA 86 HA ALA 86 93.652 -5.824 6.702 699 HB1 ALA 86 HB1 ALA 86 93.876 -7.497 8.375 700 HB2 ALA 86 HB2 ALA 86 95.524 -6.945 8.070 701 HB3 ALA 86 HB3 ALA 86 94.956 -8.460 7.364 702 H ASP 87 HN ASP 87 95.191 -7.888 4.374 703 HA ASP 87 HA ASP 87 97.699 -6.386 4.343 704 HB2 ASP 87 HB2 ASP 87 98.089 -7.725 2.232 705 HB3 ASP 87 HB1 ASP 87 97.784 -8.699 3.672 706 H ALA 88 HN ALA 88 94.585 -5.885 3.213 707 HA ALA 88 HA ALA 88 95.426 -4.183 0.910 708 HB1 ALA 88 HB1 ALA 88 92.885 -5.450 1.855 709 HB2 ALA 88 HB2 ALA 88 93.620 -5.515 0.260 710 HB3 ALA 88 HB3 ALA 88 92.788 -4.051 0.786 711 H LYS 89 HN LYS 89 95.932 -2.109 1.567 712 HA LYS 89 HA LYS 89 94.540 -0.976 3.933 713 HB2 LYS 89 HB2 LYS 89 96.648 0.465 2.334 714 HB3 LYS 89 HB1 LYS 89 96.213 0.668 4.029 715 HG2 LYS 89 HG2 LYS 89 97.438 -1.879 2.941 716 HG3 LYS 89 HG1 LYS 89 98.386 -0.553 3.583 717 HD2 LYS 89 HD2 LYS 89 97.629 -0.857 5.771 718 HD3 LYS 89 HD1 LYS 89 96.163 -1.680 5.258 719 HE2 LYS 89 HE2 LYS 89 97.715 -3.291 6.233 720 HE3 LYS 89 HE1 LYS 89 97.499 -3.603 4.510 721 HZ1 LYS 89 HZ1 LYS 89 99.597 -1.753 4.907 722 HZ2 LYS 89 HZ2 LYS 89 99.651 -3.285 4.173 723 HZ3 LYS 89 HZ3 LYS 89 99.879 -3.135 5.850 724 H LEU 90 HN LEU 90 92.732 0.035 3.620 725 HA LEU 90 HA LEU 90 92.087 1.278 1.015 726 HB2 LEU 90 HB2 LEU 90 90.305 1.296 3.443 727 HB3 LEU 90 HB1 LEU 90 89.850 1.343 1.740 728 HG LEU 90 HG LEU 90 91.040 -0.994 3.235 729 HD11 LEU 90 HD11 LEU 90 88.326 -0.408 2.042 730 HD12 LEU 90 HD12 LEU 90 88.708 -0.829 3.711 731 HD13 LEU 90 HD13 LEU 90 88.845 -2.044 2.441 732 HD21 LEU 90 HD21 LEU 90 91.984 -1.104 1.054 733 HD22 LEU 90 HD22 LEU 90 90.491 -0.545 0.294 734 HD23 LEU 90 HD23 LEU 90 90.579 -2.167 0.987 735 H GLN 91 HN GLN 91 90.858 3.494 1.355 736 HA GLN 91 HA GLN 91 92.223 5.152 3.421 737 HB2 GLN 91 HB2 GLN 91 92.010 6.313 0.665 738 HB3 GLN 91 HB1 GLN 91 93.157 6.684 1.940 739 HG2 GLN 91 HG2 GLN 91 94.482 4.762 1.453 740 HG3 GLN 91 HG1 GLN 91 93.221 4.037 0.495 741 HE21 GLN 91 HE21 GLN 91 92.463 6.308 -1.036 742 HE22 GLN 91 HE22 GLN 91 93.753 6.727 -2.029 743 H PHE 92 HN PHE 92 91.007 7.015 3.989 744 HA PHE 92 HA PHE 92 88.159 6.883 3.139 745 HB2 PHE 92 HB2 PHE 92 88.124 6.962 5.466 746 HB3 PHE 92 HB1 PHE 92 89.612 7.875 5.567 747 HD1 PHE 92 HD1 PHE 92 89.526 10.367 4.720 748 HD2 PHE 92 HD2 PHE 92 86.058 8.068 5.756 749 HE1 PHE 92 HE1 PHE 92 88.235 12.457 5.012 750 HE2 PHE 92 HE2 PHE 92 84.765 10.162 6.046 751 HZ PHE 92 HZ PHE 92 85.850 12.355 5.674 752 H THR 93 HN THR 93 87.154 8.631 2.113 753 HA THR 93 HA THR 93 88.634 11.145 1.751 754 HB THR 93 HB THR 93 89.496 9.593 -0.047 755 HG1 THR 93 HG1 THR 93 89.712 11.365 -1.117 756 HG21 THR 93 HG21 THR 93 86.719 9.895 -1.219 757 HG22 THR 93 HG22 THR 93 87.241 8.456 -0.345 758 HG23 THR 93 HG23 THR 93 88.049 8.920 -1.838 759 HA PRO 94 HA PRO 94 84.317 12.376 1.627 760 HB2 PRO 94 HB2 PRO 94 84.555 15.011 1.083 761 HB3 PRO 94 HB1 PRO 94 85.124 14.335 2.624 762 HG2 PRO 94 HG2 PRO 94 86.699 15.012 0.171 763 HG3 PRO 94 HG1 PRO 94 87.061 15.372 1.870 764 HD2 PRO 94 HD2 PRO 94 88.175 13.243 0.531 765 HD3 PRO 94 HD1 PRO 94 87.886 13.244 2.288 766 H TYR 541 HT1 TYR 541 48.821 40.720 10.531 767 HA TYR 541 HA TYR 541 50.591 38.887 9.272 768 HB2 TYR 541 HB2 TYR 541 50.957 40.966 11.453 769 HB3 TYR 541 HB1 TYR 541 52.250 40.240 10.498 770 HD1 TYR 541 HD1 TYR 541 49.635 42.756 10.587 771 HD2 TYR 541 HD2 TYR 541 52.301 40.597 8.003 772 HE1 TYR 541 HE1 TYR 541 49.273 44.442 8.805 773 HE2 TYR 541 HE2 TYR 541 51.940 42.283 6.221 774 HH TYR 541 HH TYR 541 49.908 43.985 5.687 775 H HIS 542 HN HIS 542 48.671 37.640 11.212 776 HA HIS 542 HA HIS 542 50.078 36.966 13.619 777 HB2 HIS 542 HB2 HIS 542 47.942 35.376 12.172 778 HB3 HIS 542 HB1 HIS 542 48.380 35.247 13.870 779 HD1 HIS 542 HD1 HIS 542 45.882 36.731 11.862 780 HD2 HIS 542 HD2 HIS 542 48.120 38.096 15.103 781 HE1 HIS 542 HE1 HIS 542 44.616 38.700 12.827 782 H GLU 543 HN GLU 543 49.506 33.990 13.102 783 HA GLU 543 HA GLU 543 52.176 33.176 12.562 784 HB2 GLU 543 HB2 GLU 543 51.083 30.900 12.136 785 HB3 GLU 543 HB1 GLU 543 50.752 31.636 13.705 786 HG2 GLU 543 HG2 GLU 543 48.582 32.362 13.015 787 HG3 GLU 543 HG1 GLU 543 48.927 32.006 11.322 788 H ARG 544 HN ARG 544 50.024 34.544 10.439 789 HA ARG 544 HA ARG 544 50.130 33.043 8.079 790 HB2 ARG 544 HB2 ARG 544 50.518 36.046 8.180 791 HB3 ARG 544 HB1 ARG 544 49.790 35.102 6.881 792 HG2 ARG 544 HG2 ARG 544 48.664 35.354 9.688 793 HG3 ARG 544 HG1 ARG 544 48.074 36.225 8.278 794 HD2 ARG 544 HD2 ARG 544 47.796 33.881 7.198 795 HD3 ARG 544 HD1 ARG 544 47.934 33.269 8.847 796 HE ARG 544 HE ARG 544 46.005 35.244 9.043 797 HH11 ARG 544 HH11 ARG 544 43.802 34.827 8.762 798 HH12 ARG 544 HH12 ARG 544 43.306 33.474 7.802 799 HH21 ARG 544 HH21 ARG 544 46.542 32.470 7.066 800 HH22 ARG 544 HH22 ARG 544 44.856 32.140 6.842 801 H ARG 545 HN ARG 545 52.756 34.371 9.819 802 HA ARG 545 HA ARG 545 54.565 34.902 7.663 803 HB2 ARG 545 HB2 ARG 545 55.137 34.015 10.503 804 HB3 ARG 545 HB1 ARG 545 56.291 34.762 9.406 805 HG2 ARG 545 HG2 ARG 545 55.346 36.871 9.602 806 HG3 ARG 545 HG1 ARG 545 53.726 36.231 9.866 807 HD2 ARG 545 HD2 ARG 545 54.611 37.277 11.913 808 HD3 ARG 545 HD1 ARG 545 54.339 35.546 12.136 809 HE ARG 545 HE ARG 545 56.988 35.681 11.367 810 HH11 ARG 545 HH11 ARG 545 58.684 35.922 12.842 811 HH12 ARG 545 HH12 ARG 545 58.381 36.673 14.373 812 HH21 ARG 545 HH21 ARG 545 55.015 37.213 13.743 813 HH22 ARG 545 HH22 ARG 545 56.304 37.404 14.883 814 H GLY 546 HN GLY 546 55.149 32.296 9.983 815 HA2 GLY 546 HA2 GLY 546 55.231 30.291 7.795 816 HA3 GLY 546 HA1 GLY 546 56.753 30.617 8.625 817 H SER 547 HN SER 547 57.165 29.452 10.442 818 HA SER 547 HA SER 547 55.082 28.588 12.274 819 HB2 SER 547 HB2 SER 547 56.142 26.724 10.185 820 HB3 SER 547 HB1 SER 547 55.887 26.074 11.802 821 HG SER 547 HG SER 547 53.978 25.852 10.707 822 H LEU 548 HN LEU 548 56.185 28.810 14.183 823 HA LEU 548 HA LEU 548 58.992 29.044 14.330 824 HB2 LEU 548 HB2 LEU 548 56.759 28.838 16.257 825 HB3 LEU 548 HB1 LEU 548 58.307 28.304 16.898 826 HG LEU 548 HG LEU 548 59.287 30.499 16.033 827 HD11 LEU 548 HD11 LEU 548 57.469 32.318 15.809 828 HD12 LEU 548 HD12 LEU 548 56.360 30.982 15.511 829 HD13 LEU 548 HD13 LEU 548 57.731 31.247 14.440 830 HD21 LEU 548 HD21 LEU 548 58.491 30.013 18.429 831 HD22 LEU 548 HD22 LEU 548 57.068 30.964 18.011 832 HD23 LEU 548 HD23 LEU 548 58.671 31.702 17.958 833 H CYS 549 HN CYS 549 60.645 27.620 14.610 834 HA CYS 549 HA CYS 549 60.013 24.751 14.370 835 HB2 CYS 549 HB2 CYS 549 61.907 25.365 13.094 836 HB3 CYS 549 HB1 CYS 549 62.499 26.460 14.328 837 H SER 550 HN SER 550 59.233 24.017 16.283 838 HA SER 550 HA SER 550 59.720 25.031 18.829 839 HB2 SER 550 HB2 SER 550 57.948 23.495 18.597 840 HB3 SER 550 HB1 SER 550 59.003 22.219 17.999 841 HG SER 550 HG SER 550 58.924 21.706 20.070 842 H GLY 551 HN GLY 551 61.352 25.083 20.109 843 HA2 GLY 551 HA2 GLY 551 63.273 23.983 21.241 844 HA3 GLY 551 HA1 GLY 551 63.666 23.221 19.693 845 H CYS 552 HN CYS 552 62.988 25.498 18.127 846 HA CYS 552 HA CYS 552 65.349 27.253 18.655 847 HB2 CYS 552 HB2 CYS 552 63.825 26.364 16.217 848 HB3 CYS 552 HB1 CYS 552 64.722 27.872 16.172 849 H GLN 553 HN GLN 553 61.924 27.078 17.929 850 HA GLN 553 HA GLN 553 60.245 28.623 17.996 851 HB2 GLN 553 HB2 GLN 553 62.013 29.803 20.119 852 HB3 GLN 553 HB1 GLN 553 60.357 30.324 19.801 853 HG2 GLN 553 HG2 GLN 553 61.130 27.468 20.399 854 HG3 GLN 553 HG1 GLN 553 60.546 28.587 21.613 855 HE21 GLN 553 HE21 GLN 553 59.632 26.868 18.655 856 HE22 GLN 553 HE22 GLN 553 57.955 26.970 18.897 857 H LYS 554 HN LYS 554 61.473 28.937 15.898 858 HA LYS 554 HA LYS 554 61.592 31.859 15.421 859 HB2 LYS 554 HB2 LYS 554 63.605 29.880 14.325 860 HB3 LYS 554 HB1 LYS 554 63.508 31.572 13.865 861 HG2 LYS 554 HG2 LYS 554 63.968 30.616 16.700 862 HG3 LYS 554 HG1 LYS 554 65.263 31.079 15.603 863 HD2 LYS 554 HD2 LYS 554 63.901 33.310 15.349 864 HD3 LYS 554 HD1 LYS 554 63.130 32.803 16.849 865 HE2 LYS 554 HE2 LYS 554 66.015 33.495 16.359 866 HE3 LYS 554 HE1 LYS 554 64.934 34.086 17.620 867 HZ1 LYS 554 HZ1 LYS 554 64.910 31.804 18.532 868 HZ2 LYS 554 HZ2 LYS 554 66.446 32.529 18.576 869 HZ3 LYS 554 HZ3 LYS 554 66.088 31.361 17.395 870 HA PRO 555 HA PRO 555 58.471 30.339 12.493 871 HB2 PRO 555 HB2 PRO 555 59.411 32.587 10.802 872 HB3 PRO 555 HB1 PRO 555 57.772 32.174 11.314 873 HG2 PRO 555 HG2 PRO 555 59.233 34.224 12.424 874 HG3 PRO 555 HG1 PRO 555 57.953 33.364 13.286 875 HD2 PRO 555 HD2 PRO 555 60.864 33.280 13.761 876 HD3 PRO 555 HD1 PRO 555 59.548 32.687 14.803 877 H ILE 556 HN ILE 556 58.542 28.863 10.975 878 HA ILE 556 HA ILE 556 61.061 28.319 9.510 879 HB ILE 556 HB ILE 556 58.470 26.775 9.893 880 HG12 ILE 556 HG12 ILE 556 61.220 25.893 10.771 881 HG13 ILE 556 HG11 ILE 556 60.343 27.039 11.763 882 HG21 ILE 556 HG21 ILE 556 59.831 24.911 8.827 883 HG22 ILE 556 HG22 ILE 556 60.942 26.161 8.273 884 HG23 ILE 556 HG23 ILE 556 59.262 26.172 7.736 885 HD11 ILE 556 HD11 ILE 556 58.780 25.483 12.419 886 HD12 ILE 556 HD12 ILE 556 60.084 24.361 12.054 887 HD13 ILE 556 HD13 ILE 556 58.806 24.634 10.874 888 H THR 557 HN THR 557 61.050 29.791 7.782 889 HA THR 557 HA THR 557 58.561 30.049 6.162 890 HB THR 557 HB THR 557 59.669 32.007 5.189 891 HG1 THR 557 HG1 THR 557 61.716 32.545 5.814 892 HG21 THR 557 HG21 THR 557 59.696 31.753 8.206 893 HG22 THR 557 HG22 THR 557 58.408 32.396 7.189 894 HG23 THR 557 HG23 THR 557 59.917 33.291 7.369 895 H GLY 558 HN GLY 558 58.629 28.125 5.008 896 HA2 GLY 558 HA2 GLY 558 59.560 27.982 2.467 897 HA3 GLY 558 HA1 GLY 558 60.958 27.397 3.382 898 H ARG 559 HN ARG 559 60.859 25.408 4.351 899 HA ARG 559 HA ARG 559 58.422 23.746 3.872 900 HB2 ARG 559 HB2 ARG 559 61.378 23.198 3.769 901 HB3 ARG 559 HB1 ARG 559 60.322 21.886 4.292 902 HG2 ARG 559 HG2 ARG 559 59.654 23.434 1.799 903 HG3 ARG 559 HG1 ARG 559 60.884 22.181 1.731 904 HD2 ARG 559 HD2 ARG 559 59.290 20.548 2.658 905 HD3 ARG 559 HD1 ARG 559 58.040 21.781 2.737 906 HE ARG 559 HE ARG 559 58.770 20.188 0.446 907 HH11 ARG 559 HH11 ARG 559 58.255 20.761 -1.654 908 HH12 ARG 559 HH12 ARG 559 57.724 22.373 -1.997 909 HH21 ARG 559 HH21 ARG 559 57.937 23.435 1.291 910 HH22 ARG 559 HH22 ARG 559 57.545 23.881 -0.335 911 H CYS 560 HN CYS 560 57.809 22.354 5.669 912 HA CYS 560 HA CYS 560 59.234 22.841 8.219 913 HB2 CYS 560 HB2 CYS 560 57.119 23.382 9.392 914 HB3 CYS 560 HB1 CYS 560 57.586 24.613 8.213 915 HG CYS 560 HG CYS 560 55.409 22.448 7.573 916 H ILE 561 HN ILE 561 59.484 21.072 9.294 917 HA ILE 561 HA ILE 561 57.898 18.675 8.612 918 HB ILE 561 HB ILE 561 60.278 19.119 10.444 919 HG12 ILE 561 HG12 ILE 561 59.944 17.923 7.701 920 HG13 ILE 561 HG11 ILE 561 60.738 19.444 8.073 921 HG21 ILE 561 HG21 ILE 561 59.181 16.458 9.485 922 HG22 ILE 561 HG22 ILE 561 58.767 17.137 11.067 923 HG23 ILE 561 HG23 ILE 561 60.445 16.744 10.681 924 HD11 ILE 561 HD11 ILE 561 62.318 18.130 9.549 925 HD12 ILE 561 HD12 ILE 561 62.484 17.821 7.821 926 HD13 ILE 561 HD13 ILE 561 61.635 16.660 8.850 927 H THR 562 HN THR 562 56.631 17.678 10.116 928 HA THR 562 HA THR 562 56.033 19.213 12.613 929 HB THR 562 HB THR 562 53.997 17.540 11.164 930 HG1 THR 562 HG1 THR 562 53.229 19.684 10.502 931 HG21 THR 562 HG21 THR 562 52.435 18.719 12.569 932 HG22 THR 562 HG22 THR 562 53.695 19.820 13.125 933 HG23 THR 562 HG23 THR 562 53.733 18.122 13.607 934 H ALA 563 HN ALA 563 55.651 18.076 14.436 935 HA ALA 563 HA ALA 563 56.306 15.160 14.363 936 HB1 ALA 563 HB1 ALA 563 57.010 17.158 16.516 937 HB2 ALA 563 HB2 ALA 563 58.116 16.670 15.227 938 HB3 ALA 563 HB3 ALA 563 57.546 15.479 16.407 939 H MET 564 HN MET 564 55.898 15.780 17.428 940 HA MET 564 HA MET 564 53.301 14.598 17.651 941 HB2 MET 564 HB2 MET 564 54.571 16.240 19.829 942 HB3 MET 564 HB1 MET 564 53.662 14.733 19.961 943 HG2 MET 564 HG2 MET 564 55.601 13.673 18.611 944 HG3 MET 564 HG1 MET 564 56.491 15.142 19.007 945 HE1 MET 564 HE1 MET 564 58.061 12.547 21.367 946 HE2 MET 564 HE2 MET 564 58.414 14.053 20.526 947 HE3 MET 564 HE3 MET 564 57.726 12.697 19.637 948 H ALA 565 HN ALA 565 53.596 17.105 16.153 949 HA ALA 565 HA ALA 565 51.761 18.615 15.643 950 HB1 ALA 565 HB1 ALA 565 50.540 18.046 17.808 951 HB2 ALA 565 HB2 ALA 565 50.535 19.750 17.365 952 HB3 ALA 565 HB3 ALA 565 51.630 19.176 18.619 953 H LYS 566 HN LYS 566 54.667 18.556 17.264 954 HA LYS 566 HA LYS 566 55.083 21.466 17.373 955 HB2 LYS 566 HB2 LYS 566 56.657 19.000 17.991 956 HB3 LYS 566 HB1 LYS 566 57.591 20.427 17.558 957 HG2 LYS 566 HG2 LYS 566 56.720 21.688 19.363 958 HG3 LYS 566 HG1 LYS 566 55.411 20.543 19.643 959 HD2 LYS 566 HD2 LYS 566 58.250 19.562 19.855 960 HD3 LYS 566 HD1 LYS 566 57.587 20.518 21.173 961 HE2 LYS 566 HE2 LYS 566 55.961 18.914 21.697 962 HE3 LYS 566 HE1 LYS 566 55.978 18.216 20.072 963 HZ1 LYS 566 HZ1 LYS 566 57.189 16.661 21.165 964 HZ2 LYS 566 HZ2 LYS 566 57.780 17.749 22.328 965 HZ3 LYS 566 HZ3 LYS 566 58.458 17.715 20.771 966 H LYS 567 HN LYS 567 56.764 22.490 16.016 967 HA LYS 567 HA LYS 567 56.798 21.326 13.260 968 HB2 LYS 567 HB2 LYS 567 57.604 24.136 13.919 969 HB3 LYS 567 HB1 LYS 567 56.896 23.517 12.440 970 HG2 LYS 567 HG2 LYS 567 55.466 23.834 15.104 971 HG3 LYS 567 HG1 LYS 567 55.255 24.856 13.693 972 HD2 LYS 567 HD2 LYS 567 54.634 21.874 13.764 973 HD3 LYS 567 HD1 LYS 567 53.443 23.166 13.901 974 HE2 LYS 567 HE2 LYS 567 54.430 24.034 11.659 975 HE3 LYS 567 HE1 LYS 567 55.125 22.420 11.523 976 HZ1 LYS 567 HZ1 LYS 567 52.795 22.879 10.558 977 HZ2 LYS 567 HZ2 LYS 567 52.275 22.738 12.169 978 HZ3 LYS 567 HZ3 LYS 567 53.066 21.439 11.411 979 H PHE 568 HN PHE 568 58.992 22.052 12.084 980 HA PHE 568 HA PHE 568 61.273 22.171 13.938 981 HB2 PHE 568 HB2 PHE 568 60.303 19.607 12.837 982 HB3 PHE 568 HB1 PHE 568 62.000 19.867 12.499 983 HD1 PHE 568 HD1 PHE 568 59.619 18.806 14.949 984 HD2 PHE 568 HD2 PHE 568 63.491 20.615 14.508 985 HE1 PHE 568 HE1 PHE 568 60.182 18.172 17.279 986 HE2 PHE 568 HE2 PHE 568 64.053 19.980 16.838 987 HZ PHE 568 HZ PHE 568 62.398 18.758 18.224 988 H HIS 569 HN HIS 569 62.968 23.127 12.933 989 HA HIS 569 HA HIS 569 62.804 24.199 10.321 990 HB2 HIS 569 HB2 HIS 569 65.053 23.563 12.187 991 HB3 HIS 569 HB1 HIS 569 65.449 24.043 10.548 992 HD2 HIS 569 HD2 HIS 569 63.870 26.652 9.954 993 HE1 HIS 569 HE1 HIS 569 64.718 27.931 13.879 994 HA PRO 570 HA PRO 570 62.937 20.059 8.356 995 HB2 PRO 570 HB2 PRO 570 63.799 21.677 5.993 996 HB3 PRO 570 HB1 PRO 570 62.505 20.473 6.122 997 HG2 PRO 570 HG2 PRO 570 62.010 23.154 6.023 998 HG3 PRO 570 HG1 PRO 570 60.963 22.016 6.879 999 HD2 PRO 570 HD2 PRO 570 62.803 24.050 8.004 1000 HD3 PRO 570 HD1 PRO 570 61.413 23.242 8.766 1001 H GLU 571 HN GLU 571 65.438 22.332 8.845 1002 HA GLU 571 HA GLU 571 67.554 20.562 7.766 1003 HB2 GLU 571 HB2 GLU 571 68.048 23.196 9.137 1004 HB3 GLU 571 HB1 GLU 571 68.975 22.417 7.856 1005 HG2 GLU 571 HG2 GLU 571 66.941 22.716 6.367 1006 HG3 GLU 571 HG1 GLU 571 66.274 23.740 7.644 1007 H HIS 572 HN HIS 572 66.808 22.316 10.781 1008 HA HIS 572 HA HIS 572 68.814 21.082 12.364 1009 HB2 HIS 572 HB2 HIS 572 66.092 21.967 13.375 1010 HB3 HIS 572 HB1 HIS 572 67.588 21.868 14.303 1011 HD2 HIS 572 HD2 HIS 572 69.257 23.228 11.555 1012 HE1 HIS 572 HE1 HIS 572 67.230 26.696 12.823 1013 H PHE 573 HN PHE 573 66.282 19.588 10.838 1014 HA PHE 573 HA PHE 573 66.446 17.246 12.710 1015 HB2 PHE 573 HB2 PHE 573 64.178 18.503 12.584 1016 HB3 PHE 573 HB1 PHE 573 64.062 17.836 10.962 1017 HD1 PHE 573 HD1 PHE 573 64.566 16.875 14.534 1018 HD2 PHE 573 HD2 PHE 573 63.357 15.601 10.613 1019 HE1 PHE 573 HE1 PHE 573 63.783 14.718 15.475 1020 HE2 PHE 573 HE2 PHE 573 62.575 13.444 11.555 1021 HZ PHE 573 HZ PHE 573 62.788 13.003 13.986 1022 H VAL 574 HN VAL 574 68.319 17.453 10.843 1023 HA VAL 574 HA VAL 574 67.455 16.157 8.351 1024 HB VAL 574 HB VAL 574 69.857 16.331 7.716 1025 HG11 VAL 574 HG11 VAL 574 69.529 19.116 8.273 1026 HG12 VAL 574 HG12 VAL 574 67.919 18.435 8.036 1027 HG13 VAL 574 HG13 VAL 574 69.142 18.259 6.796 1028 HG21 VAL 574 HG21 VAL 574 70.956 16.250 9.850 1029 HG22 VAL 574 HG22 VAL 574 70.022 17.637 10.451 1030 HG23 VAL 574 HG23 VAL 574 71.242 17.875 9.197 1031 H CYS 575 HN CYS 575 69.151 14.455 7.591 1032 HA CYS 575 HA CYS 575 69.020 12.196 9.444 1033 HB2 CYS 575 HB2 CYS 575 68.834 11.160 7.436 1034 HB3 CYS 575 HB1 CYS 575 69.263 12.656 6.619 1035 H ALA 576 HN ALA 576 70.912 11.022 10.270 1036 HA ALA 576 HA ALA 576 73.276 12.856 10.461 1037 HB1 ALA 576 HB1 ALA 576 72.830 10.200 11.866 1038 HB2 ALA 576 HB2 ALA 576 72.219 11.731 12.495 1039 HB3 ALA 576 HB3 ALA 576 73.957 11.479 12.317 1040 H PHE 577 HN PHE 577 73.713 12.382 8.186 1041 HA PHE 577 HA PHE 577 75.860 10.426 7.916 1042 HB2 PHE 577 HB2 PHE 577 74.156 8.983 6.977 1043 HB3 PHE 577 HB1 PHE 577 73.415 10.312 6.117 1044 HD1 PHE 577 HD1 PHE 577 76.341 8.028 6.180 1045 HD2 PHE 577 HD2 PHE 577 74.275 11.123 4.025 1046 HE1 PHE 577 HE1 PHE 577 77.720 7.559 4.183 1047 HE2 PHE 577 HE2 PHE 577 75.662 10.647 2.027 1048 HZ PHE 577 HZ PHE 577 77.383 8.865 2.106 1049 H CYS 578 HN CYS 578 73.633 12.668 6.609 1050 HA CYS 578 HA CYS 578 75.751 14.504 5.648 1051 HB2 CYS 578 HB2 CYS 578 74.236 14.974 3.671 1052 HB3 CYS 578 HB1 CYS 578 74.948 13.363 3.645 1053 H LEU 579 HN LEU 579 75.337 16.470 6.585 1054 HA LEU 579 HA LEU 579 72.997 16.844 8.221 1055 HB2 LEU 579 HB2 LEU 579 75.573 18.043 7.923 1056 HB3 LEU 579 HB1 LEU 579 74.406 19.332 7.706 1057 HG LEU 579 HG LEU 579 73.306 18.551 9.860 1058 HD11 LEU 579 HD11 LEU 579 74.180 16.375 10.177 1059 HD12 LEU 579 HD12 LEU 579 74.999 17.372 11.376 1060 HD13 LEU 579 HD13 LEU 579 75.836 16.911 9.895 1061 HD21 LEU 579 HD21 LEU 579 76.113 19.669 9.779 1062 HD22 LEU 579 HD22 LEU 579 75.161 19.605 11.262 1063 HD23 LEU 579 HD23 LEU 579 74.596 20.563 9.893 1064 H LYS 580 HN LYS 580 72.833 16.931 4.912 1065 HA LYS 580 HA LYS 580 71.747 19.682 4.736 1066 HB2 LYS 580 HB2 LYS 580 72.068 19.543 2.474 1067 HB3 LYS 580 HB1 LYS 580 73.203 18.311 2.997 1068 HG2 LYS 580 HG2 LYS 580 70.362 17.731 2.060 1069 HG3 LYS 580 HG1 LYS 580 71.798 17.603 1.062 1070 HD2 LYS 580 HD2 LYS 580 72.617 15.744 2.193 1071 HD3 LYS 580 HD1 LYS 580 71.740 16.116 3.674 1072 HE2 LYS 580 HE2 LYS 580 70.824 14.155 2.345 1073 HE3 LYS 580 HE1 LYS 580 69.656 15.422 2.716 1074 HZ1 LYS 580 HZ1 LYS 580 69.408 14.882 0.441 1075 HZ2 LYS 580 HZ2 LYS 580 71.081 14.970 0.157 1076 HZ3 LYS 580 HZ3 LYS 580 70.198 16.382 0.494 1077 H GLN 581 HN GLN 581 70.165 16.382 4.418 1078 HA GLN 581 HA GLN 581 67.734 17.759 5.164 1079 HB2 GLN 581 HB2 GLN 581 68.016 18.352 2.754 1080 HB3 GLN 581 HB1 GLN 581 67.673 16.665 2.374 1081 HG2 GLN 581 HG2 GLN 581 65.579 17.799 2.249 1082 HG3 GLN 581 HG1 GLN 581 65.546 16.959 3.786 1083 HE21 GLN 581 HE21 GLN 581 66.141 18.316 5.749 1084 HE22 GLN 581 HE22 GLN 581 65.788 19.968 5.705 1085 H LEU 582 HN LEU 582 66.109 16.609 5.854 1086 HA LEU 582 HA LEU 582 65.932 13.722 5.286 1087 HB2 LEU 582 HB2 LEU 582 67.145 14.165 7.480 1088 HB3 LEU 582 HB1 LEU 582 65.631 14.817 8.082 1089 HG LEU 582 HG LEU 582 64.535 12.651 7.638 1090 HD11 LEU 582 HD11 LEU 582 67.102 12.080 6.276 1091 HD12 LEU 582 HD12 LEU 582 65.512 11.383 6.017 1092 HD13 LEU 582 HD13 LEU 582 66.534 10.774 7.314 1093 HD21 LEU 582 HD21 LEU 582 66.887 12.938 9.465 1094 HD22 LEU 582 HD22 LEU 582 66.177 11.328 9.309 1095 HD23 LEU 582 HD23 LEU 582 65.185 12.684 9.840 1096 H ASN 583 HN ASN 583 63.684 12.949 6.089 1097 HA ASN 583 HA ASN 583 61.681 15.141 6.274 1098 HB2 ASN 583 HB2 ASN 583 61.944 13.212 3.964 1099 HB3 ASN 583 HB1 ASN 583 60.357 13.823 4.418 1100 HD21 ASN 583 HD21 ASN 583 61.229 14.527 1.931 1101 HD22 ASN 583 HD22 ASN 583 61.703 16.152 1.897 1102 H LYS 584 HN LYS 584 59.996 14.539 7.550 1103 HA LYS 584 HA LYS 584 60.086 12.227 9.144 1104 HB2 LYS 584 HB2 LYS 584 57.661 12.751 9.586 1105 HB3 LYS 584 HB1 LYS 584 58.753 14.122 9.793 1106 HG2 LYS 584 HG2 LYS 584 57.966 15.231 7.911 1107 HG3 LYS 584 HG1 LYS 584 57.570 13.740 7.053 1108 HD2 LYS 584 HD2 LYS 584 55.537 14.977 7.718 1109 HD3 LYS 584 HD1 LYS 584 55.635 13.400 8.497 1110 HE2 LYS 584 HE2 LYS 584 56.285 14.342 10.579 1111 HE3 LYS 584 HE1 LYS 584 56.662 15.898 9.841 1112 HZ1 LYS 584 HZ1 LYS 584 53.937 14.863 9.580 1113 HZ2 LYS 584 HZ2 LYS 584 54.479 16.469 9.700 1114 HZ3 LYS 584 HZ3 LYS 584 54.407 15.488 11.085 1115 H GLY 585 HN GLY 585 59.191 12.579 5.892 1116 HA2 GLY 585 HA2 GLY 585 57.485 10.151 5.864 1117 HA3 GLY 585 HA1 GLY 585 57.750 11.253 4.515 1118 H THR 586 HN THR 586 60.688 11.133 5.436 1119 HA THR 586 HA THR 586 61.395 8.451 4.334 1120 HB THR 586 HB THR 586 62.824 9.338 2.698 1121 HG1 THR 586 HG1 THR 586 63.878 10.834 4.007 1122 HG21 THR 586 HG21 THR 586 60.606 11.396 2.863 1123 HG22 THR 586 HG22 THR 586 60.383 9.759 2.248 1124 HG23 THR 586 HG23 THR 586 61.463 10.876 1.410 1125 H PHE 587 HN PHE 587 61.432 9.767 7.039 1126 HA PHE 587 HA PHE 587 64.342 10.027 7.535 1127 HB2 PHE 587 HB2 PHE 587 63.818 10.800 9.684 1128 HB3 PHE 587 HB1 PHE 587 62.525 11.441 8.690 1129 HD1 PHE 587 HD1 PHE 587 63.177 9.861 11.727 1130 HD2 PHE 587 HD2 PHE 587 60.456 9.665 8.412 1131 HE1 PHE 587 HE1 PHE 587 61.504 8.730 13.162 1132 HE2 PHE 587 HE2 PHE 587 58.786 8.534 9.845 1133 HZ PHE 587 HZ PHE 587 59.308 8.066 12.222 1134 H LYS 588 HN LYS 588 65.432 8.203 7.583 1135 HA LYS 588 HA LYS 588 64.241 5.740 8.751 1136 HB2 LYS 588 HB2 LYS 588 65.784 6.248 6.445 1137 HB3 LYS 588 HB1 LYS 588 66.904 5.514 7.545 1138 HG2 LYS 588 HG2 LYS 588 65.747 3.891 6.024 1139 HG3 LYS 588 HG1 LYS 588 65.612 3.520 7.730 1140 HD2 LYS 588 HD2 LYS 588 63.514 3.310 6.164 1141 HD3 LYS 588 HD1 LYS 588 63.324 3.955 7.774 1142 HE2 LYS 588 HE2 LYS 588 62.953 6.128 6.987 1143 HE3 LYS 588 HE1 LYS 588 63.862 5.849 5.518 1144 HZ1 LYS 588 HZ1 LYS 588 62.103 4.351 4.776 1145 HZ2 LYS 588 HZ2 LYS 588 61.537 5.934 5.025 1146 HZ3 LYS 588 HZ3 LYS 588 61.210 4.721 6.170 1147 H GLU 589 HN GLU 589 65.616 4.492 10.245 1148 HA GLU 589 HA GLU 589 67.808 5.966 11.547 1149 HB2 GLU 589 HB2 GLU 589 66.128 7.039 12.765 1150 HB3 GLU 589 HB1 GLU 589 65.092 5.620 12.798 1151 HG2 GLU 589 HG2 GLU 589 66.466 4.560 14.453 1152 HG3 GLU 589 HG1 GLU 589 67.755 5.752 14.249 1153 H GLN 590 HN GLN 590 68.884 4.789 13.111 1154 HA GLN 590 HA GLN 590 68.239 2.068 13.784 1155 HB2 GLN 590 HB2 GLN 590 70.158 0.981 12.751 1156 HB3 GLN 590 HB1 GLN 590 69.202 1.757 11.502 1157 HG2 GLN 590 HG2 GLN 590 70.725 3.678 11.522 1158 HG3 GLN 590 HG1 GLN 590 71.699 2.887 12.744 1159 HE21 GLN 590 HE21 GLN 590 70.366 0.607 10.595 1160 HE22 GLN 590 HE22 GLN 590 71.717 0.405 9.588 1161 H ASN 591 HN ASN 591 69.511 1.465 15.562 1162 HA ASN 591 HA ASN 591 70.612 1.954 17.556 1163 HB2 ASN 591 HB2 ASN 591 72.815 3.535 16.552 1164 HB3 ASN 591 HB1 ASN 591 72.831 1.866 17.084 1165 HD21 ASN 591 HD21 ASN 591 71.150 0.760 15.075 1166 HD22 ASN 591 HD22 ASN 591 71.925 0.890 13.570 1167 H ASP 592 HN ASP 592 68.662 3.960 16.383 1168 HA ASP 592 HA ASP 592 67.689 5.886 17.328 1169 HB2 ASP 592 HB2 ASP 592 70.226 6.528 18.808 1170 HB3 ASP 592 HB1 ASP 592 68.559 6.892 19.248 1171 H LYS 593 HN LYS 593 70.486 5.786 15.473 1172 HA LYS 593 HA LYS 593 70.868 8.678 15.254 1173 HB2 LYS 593 HB2 LYS 593 72.002 6.356 13.728 1174 HB3 LYS 593 HB1 LYS 593 72.552 8.020 13.607 1175 HG2 LYS 593 HG2 LYS 593 72.738 7.721 16.283 1176 HG3 LYS 593 HG1 LYS 593 72.941 6.036 15.814 1177 HD2 LYS 593 HD2 LYS 593 74.787 6.653 14.312 1178 HD3 LYS 593 HD1 LYS 593 74.572 8.354 14.730 1179 HE2 LYS 593 HE2 LYS 593 75.057 6.312 16.898 1180 HE3 LYS 593 HE1 LYS 593 76.410 6.969 15.977 1181 HZ1 LYS 593 HZ1 LYS 593 75.635 8.152 18.122 1182 HZ2 LYS 593 HZ2 LYS 593 74.409 8.789 17.133 1183 HZ3 LYS 593 HZ3 LYS 593 76.041 9.081 16.763 1184 HA PRO 594 HA PRO 594 67.526 8.775 12.088 1185 HB2 PRO 594 HB2 PRO 594 68.756 11.412 11.495 1186 HB3 PRO 594 HB1 PRO 594 67.074 11.022 11.856 1187 HG2 PRO 594 HG2 PRO 594 68.726 12.286 13.617 1188 HG3 PRO 594 HG1 PRO 594 67.393 11.241 14.132 1189 HD2 PRO 594 HD2 PRO 594 70.324 10.717 14.232 1190 HD3 PRO 594 HD1 PRO 594 69.011 9.990 15.190 1191 H TYR 595 HN TYR 595 67.532 8.981 9.675 1192 HA TYR 595 HA TYR 595 70.032 9.238 8.220 1193 HB2 TYR 595 HB2 TYR 595 68.956 6.502 8.853 1194 HB3 TYR 595 HB1 TYR 595 69.851 6.777 7.369 1195 HD1 TYR 595 HD1 TYR 595 70.182 5.684 10.642 1196 HD2 TYR 595 HD2 TYR 595 72.131 8.198 7.772 1197 HE1 TYR 595 HE1 TYR 595 72.350 5.309 11.785 1198 HE2 TYR 595 HE2 TYR 595 74.299 7.839 8.943 1199 HH TYR 595 HH TYR 595 74.586 6.712 11.975 1200 H CYS 596 HN CYS 596 69.553 9.528 5.995 1201 HA CYS 596 HA CYS 596 66.738 9.493 5.180 1202 HB2 CYS 596 HB2 CYS 596 69.061 9.409 3.234 1203 HB3 CYS 596 HB1 CYS 596 67.481 10.145 3.019 1204 H GLN 597 HN GLN 597 65.917 7.777 3.640 1205 HA GLN 597 HA GLN 597 66.835 5.206 4.441 1206 HB2 GLN 597 HB2 GLN 597 64.677 5.108 3.551 1207 HB3 GLN 597 HB1 GLN 597 65.045 6.244 2.284 1208 HG2 GLN 597 HG2 GLN 597 64.856 4.263 1.067 1209 HG3 GLN 597 HG1 GLN 597 66.579 4.287 1.386 1210 HE21 GLN 597 HE21 GLN 597 66.266 3.614 4.253 1211 HE22 GLN 597 HE22 GLN 597 65.817 1.999 4.312 1212 H ASN 598 HN ASN 598 67.325 6.982 1.399 1213 HA ASN 598 HA ASN 598 69.168 5.341 0.134 1214 HB2 ASN 598 HB2 ASN 598 69.675 8.305 0.210 1215 HB3 ASN 598 HB1 ASN 598 69.730 7.201 -1.160 1216 HD21 ASN 598 HD21 ASN 598 67.318 5.955 -1.095 1217 HD22 ASN 598 HD22 ASN 598 66.056 7.070 -1.251 1218 H CYS 599 HN CYS 599 69.633 7.283 2.999 1219 HA CYS 599 HA CYS 599 72.553 6.979 2.942 1220 HB2 CYS 599 HB2 CYS 599 70.583 8.226 4.859 1221 HB3 CYS 599 HB1 CYS 599 72.256 7.959 5.333 1222 H PHE 600 HN PHE 600 69.972 5.987 5.237 1223 HA PHE 600 HA PHE 600 71.538 4.142 6.700 1224 HB2 PHE 600 HB2 PHE 600 69.504 4.528 7.749 1225 HB3 PHE 600 HB1 PHE 600 68.609 4.566 6.236 1226 HD1 PHE 600 HD1 PHE 600 69.919 2.448 8.938 1227 HD2 PHE 600 HD2 PHE 600 67.866 2.473 5.164 1228 HE1 PHE 600 HE1 PHE 600 69.197 0.104 9.312 1229 HE2 PHE 600 HE2 PHE 600 67.146 0.131 5.539 1230 HZ PHE 600 HZ PHE 600 67.811 -1.054 7.612 1231 H LEU 601 HN LEU 601 69.309 3.440 3.975 1232 HA LEU 601 HA LEU 601 69.833 0.712 3.744 1233 HB2 LEU 601 HB2 LEU 601 68.494 0.939 1.918 1234 HB3 LEU 601 HB1 LEU 601 68.496 2.661 2.243 1235 HG LEU 601 HG LEU 601 70.552 2.850 0.775 1236 HD11 LEU 601 HD11 LEU 601 70.264 0.546 -0.846 1237 HD12 LEU 601 HD12 LEU 601 70.287 -0.062 0.805 1238 HD13 LEU 601 HD13 LEU 601 71.616 0.931 0.213 1239 HD21 LEU 601 HD21 LEU 601 68.153 3.256 0.033 1240 HD22 LEU 601 HD22 LEU 601 68.174 1.629 -0.641 1241 HD23 LEU 601 HD23 LEU 601 69.280 2.853 -1.260 1242 H LYS 602 HN LYS 602 71.754 3.422 2.493 1243 HA LYS 602 HA LYS 602 73.673 1.967 1.051 1244 HB2 LYS 602 HB2 LYS 602 73.417 4.616 1.821 1245 HB3 LYS 602 HB1 LYS 602 74.837 4.139 2.718 1246 HG2 LYS 602 HG2 LYS 602 74.495 3.702 -0.262 1247 HG3 LYS 602 HG1 LYS 602 75.311 5.089 0.435 1248 HD2 LYS 602 HD2 LYS 602 77.227 3.854 0.432 1249 HD3 LYS 602 HD1 LYS 602 76.511 2.879 1.710 1250 HE2 LYS 602 HE2 LYS 602 77.350 1.561 -0.263 1251 HE3 LYS 602 HE1 LYS 602 75.652 1.296 0.110 1252 HZ1 LYS 602 HZ1 LYS 602 74.979 2.348 -1.759 1253 HZ2 LYS 602 HZ2 LYS 602 76.508 1.861 -2.318 1254 HZ3 LYS 602 HZ3 LYS 602 76.271 3.447 -1.754 1255 H LEU 603 HN LEU 603 73.180 2.194 4.488 1256 HA LEU 603 HA LEU 603 75.789 0.951 5.105 1257 HB2 LEU 603 HB2 LEU 603 73.665 1.445 7.166 1258 HB3 LEU 603 HB1 LEU 603 75.416 1.595 7.308 1259 HG LEU 603 HG LEU 603 73.577 3.452 5.769 1260 HD11 LEU 603 HD11 LEU 603 73.631 3.538 8.326 1261 HD12 LEU 603 HD12 LEU 603 73.981 5.039 7.470 1262 HD13 LEU 603 HD13 LEU 603 75.297 4.088 8.154 1263 HD21 LEU 603 HD21 LEU 603 75.644 4.815 5.471 1264 HD22 LEU 603 HD22 LEU 603 75.764 3.257 4.658 1265 HD23 LEU 603 HD23 LEU 603 76.583 3.512 6.196 1266 H PHE 604 HN PHE 604 72.374 0.183 5.889 1267 HA PHE 604 HA PHE 604 73.174 -2.674 6.243 1268 HB2 PHE 604 HB2 PHE 604 70.987 -0.925 7.316 1269 HB3 PHE 604 HB1 PHE 604 70.633 -2.642 7.140 1270 HD1 PHE 604 HD1 PHE 604 73.100 -0.251 8.636 1271 HD2 PHE 604 HD2 PHE 604 71.437 -4.213 8.713 1272 HE1 PHE 604 HE1 PHE 604 74.340 -0.732 10.726 1273 HE2 PHE 604 HE2 PHE 604 72.679 -4.691 10.805 1274 HZ PHE 604 HZ PHE 604 74.131 -2.951 11.811 1275 H CYS 605 HN CYS 605 72.846 -1.456 3.563 1276 HA CYS 605 HA CYS 605 70.448 -1.904 2.246 1277 HB2 CYS 605 HB2 CYS 605 72.330 -1.158 0.956 1278 HB3 CYS 605 HB1 CYS 605 73.262 -2.596 1.363 1279 HG CYS 605 HG CYS 605 72.298 -3.118 -0.960 Start of MODEL 20 1 H MET 1 HT1 MET 1 87.406 -26.560 9.514 2 HA MET 1 HA MET 1 88.841 -27.887 8.240 3 HB2 MET 1 HB2 MET 1 89.713 -25.714 9.515 4 HB3 MET 1 HB1 MET 1 90.762 -26.873 10.327 5 HG2 MET 1 HG2 MET 1 91.527 -27.686 8.092 6 HG3 MET 1 HG1 MET 1 90.548 -26.429 7.335 7 HE1 MET 1 HE1 MET 1 91.514 -24.312 6.620 8 HE2 MET 1 HE2 MET 1 92.634 -25.563 6.087 9 HE3 MET 1 HE3 MET 1 93.259 -24.054 6.748 10 H ALA 2 HN ALA 2 91.488 -28.558 9.686 11 HA ALA 2 HA ALA 2 90.939 -30.777 11.448 12 HB1 ALA 2 HB1 ALA 2 91.762 -31.527 8.639 13 HB2 ALA 2 HB2 ALA 2 90.103 -31.659 9.224 14 HB3 ALA 2 HB3 ALA 2 91.381 -32.619 9.969 15 H LEU 3 HN LEU 3 93.076 -29.258 9.108 16 HA LEU 3 HA LEU 3 95.547 -30.371 9.493 17 HB2 LEU 3 HB2 LEU 3 94.790 -27.444 9.483 18 HB3 LEU 3 HB1 LEU 3 96.464 -27.985 9.429 19 HG LEU 3 HG LEU 3 94.356 -28.900 7.455 20 HD11 LEU 3 HD11 LEU 3 94.527 -26.549 7.111 21 HD12 LEU 3 HD12 LEU 3 95.586 -27.275 5.901 22 HD13 LEU 3 HD13 LEU 3 96.273 -26.565 7.363 23 HD21 LEU 3 HD21 LEU 3 96.100 -30.433 7.268 24 HD22 LEU 3 HD22 LEU 3 97.330 -29.265 7.745 25 HD23 LEU 3 HD23 LEU 3 96.639 -29.208 6.126 26 H ASP 4 HN ASP 4 94.939 -27.469 11.296 27 HA ASP 4 HA ASP 4 95.747 -26.810 13.410 28 HB2 ASP 4 HB2 ASP 4 93.631 -27.908 13.966 29 HB3 ASP 4 HB1 ASP 4 94.442 -29.473 13.976 30 H GLY 5 HN GLY 5 97.496 -28.566 11.719 31 HA2 GLY 5 HA2 GLY 5 98.951 -30.393 13.391 32 HA3 GLY 5 HA1 GLY 5 99.544 -29.665 11.895 33 H ILE 6 HN ILE 6 98.696 -27.065 13.283 34 HA ILE 6 HA ILE 6 101.276 -26.647 14.741 35 HB ILE 6 HB ILE 6 100.362 -24.124 14.038 36 HG12 ILE 6 HG12 ILE 6 98.526 -25.360 12.726 37 HG13 ILE 6 HG11 ILE 6 99.443 -24.130 11.870 38 HG21 ILE 6 HG21 ILE 6 102.189 -26.007 12.569 39 HG22 ILE 6 HG22 ILE 6 102.626 -24.737 13.714 40 HG23 ILE 6 HG23 ILE 6 101.995 -24.311 12.124 41 HD11 ILE 6 HD11 ILE 6 100.335 -25.635 10.423 42 HD12 ILE 6 HD12 ILE 6 99.027 -26.686 10.958 43 HD13 ILE 6 HD13 ILE 6 100.626 -26.837 11.679 44 H ARG 7 HN ARG 7 98.885 -24.145 14.951 45 HA ARG 7 HA ARG 7 97.635 -25.181 17.357 46 HB2 ARG 7 HB2 ARG 7 98.551 -23.290 18.768 47 HB3 ARG 7 HB1 ARG 7 99.677 -24.579 18.384 48 HG2 ARG 7 HG2 ARG 7 99.672 -22.377 16.393 49 HG3 ARG 7 HG1 ARG 7 100.193 -21.891 18.003 50 HD2 ARG 7 HD2 ARG 7 101.841 -23.745 18.012 51 HD3 ARG 7 HD1 ARG 7 101.333 -24.174 16.383 52 HE ARG 7 HE ARG 7 102.091 -21.412 16.446 53 HH11 ARG 7 HH11 ARG 7 104.098 -20.848 15.578 54 HH12 ARG 7 HH12 ARG 7 105.306 -22.069 15.358 55 HH21 ARG 7 HH21 ARG 7 103.327 -24.629 16.603 56 HH22 ARG 7 HH22 ARG 7 104.870 -24.210 15.937 57 H MET 8 HN MET 8 98.227 -21.795 17.325 58 HA MET 8 HA MET 8 95.832 -21.229 15.700 59 HB2 MET 8 HB2 MET 8 95.379 -19.730 18.081 60 HB3 MET 8 HB1 MET 8 94.422 -21.051 17.449 61 HG2 MET 8 HG2 MET 8 95.654 -22.695 18.670 62 HG3 MET 8 HG1 MET 8 96.894 -21.553 19.148 63 HE1 MET 8 HE1 MET 8 96.128 -22.988 21.460 64 HE2 MET 8 HE2 MET 8 94.655 -23.603 20.714 65 HE3 MET 8 HE3 MET 8 94.563 -22.740 22.247 66 HA PRO 9 HA PRO 9 97.978 -16.900 16.685 67 HB2 PRO 9 HB2 PRO 9 100.557 -18.138 17.636 68 HB3 PRO 9 HB1 PRO 9 99.883 -16.535 18.008 69 HG2 PRO 9 HG2 PRO 9 99.681 -18.460 19.774 70 HG3 PRO 9 HG1 PRO 9 98.291 -17.407 19.440 71 HD2 PRO 9 HD2 PRO 9 98.730 -20.241 18.588 72 HD3 PRO 9 HD1 PRO 9 97.248 -19.408 19.048 73 H ASP 10 HN ASP 10 99.640 -19.841 15.865 74 HA ASP 10 HA ASP 10 100.734 -18.630 13.349 75 HB2 ASP 10 HB2 ASP 10 102.277 -19.843 15.020 76 HB3 ASP 10 HB1 ASP 10 101.471 -21.324 14.508 77 H GLY 11 HN GLY 11 98.657 -21.073 14.694 78 HA2 GLY 11 HA2 GLY 11 98.156 -22.346 12.096 79 HA3 GLY 11 HA1 GLY 11 97.376 -22.760 13.616 80 H CYS 12 HN CYS 12 97.359 -19.491 13.283 81 HA CYS 12 HA CYS 12 95.270 -18.929 11.447 82 HB2 CYS 12 HB2 CYS 12 93.748 -20.248 12.698 83 HB3 CYS 12 HB1 CYS 12 94.432 -19.717 14.233 84 HG CYS 12 HG CYS 12 93.270 -17.404 13.908 85 H TYR 13 HN TYR 13 94.904 -17.810 14.736 86 HA TYR 13 HA TYR 13 96.718 -15.721 14.975 87 HB2 TYR 13 HB2 TYR 13 94.690 -15.182 12.891 88 HB3 TYR 13 HB1 TYR 13 94.690 -13.939 14.136 89 HD1 TYR 13 HD1 TYR 13 96.061 -14.720 11.047 90 HD2 TYR 13 HD2 TYR 13 97.257 -13.359 14.944 91 HE1 TYR 13 HE1 TYR 13 98.102 -13.704 10.068 92 HE2 TYR 13 HE2 TYR 13 99.296 -12.345 13.963 93 HH TYR 13 HH TYR 13 100.519 -12.087 12.129 94 H ALA 14 HN ALA 14 93.205 -16.185 15.026 95 HA ALA 14 HA ALA 14 92.721 -16.627 17.683 96 HB1 ALA 14 HB1 ALA 14 92.062 -14.105 18.319 97 HB2 ALA 14 HB2 ALA 14 93.362 -13.736 17.185 98 HB3 ALA 14 HB3 ALA 14 93.690 -14.715 18.614 99 H ASP 15 HN ASP 15 91.795 -14.392 15.116 100 HA ASP 15 HA ASP 15 89.233 -15.750 14.824 101 HB2 ASP 15 HB2 ASP 15 88.913 -14.124 16.736 102 HB3 ASP 15 HB1 ASP 15 89.218 -12.825 15.584 103 H GLY 16 HN GLY 16 91.814 -14.201 13.533 104 HA2 GLY 16 HA2 GLY 16 92.250 -13.649 11.277 105 HA3 GLY 16 HA1 GLY 16 90.542 -13.922 10.921 106 H THR 17 HN THR 17 91.815 -11.801 13.430 107 HA THR 17 HA THR 17 90.213 -9.579 12.360 108 HB THR 17 HB THR 17 91.273 -8.425 14.443 109 HG1 THR 17 HG1 THR 17 92.933 -10.068 14.576 110 HG21 THR 17 HG21 THR 17 89.018 -9.052 14.620 111 HG22 THR 17 HG22 THR 17 89.785 -9.894 15.968 112 HG23 THR 17 HG23 THR 17 89.389 -10.773 14.491 113 H TRP 18 HN TRP 18 91.005 -8.148 11.001 114 HA TRP 18 HA TRP 18 93.866 -7.364 11.120 115 HB2 TRP 18 HB2 TRP 18 93.374 -7.226 8.425 116 HB3 TRP 18 HB1 TRP 18 94.178 -8.580 9.201 117 HD1 TRP 18 HD1 TRP 18 90.630 -7.499 8.132 118 HE1 TRP 18 HE1 TRP 18 89.286 -9.628 7.566 119 HE3 TRP 18 HE3 TRP 18 94.050 -11.071 9.408 120 HZ2 TRP 18 HZ2 TRP 18 89.617 -12.466 7.648 121 HZ3 TRP 18 HZ3 TRP 18 93.510 -13.476 9.155 122 HH2 TRP 18 HH2 TRP 18 91.300 -14.178 8.277 123 H GLU 19 HN GLU 19 93.914 -5.191 11.346 124 HA GLU 19 HA GLU 19 91.478 -3.634 10.939 125 HB2 GLU 19 HB2 GLU 19 93.568 -1.784 11.340 126 HB3 GLU 19 HB1 GLU 19 92.492 -2.415 12.579 127 HG2 GLU 19 HG2 GLU 19 94.848 -2.716 13.200 128 HG3 GLU 19 HG1 GLU 19 94.034 -4.268 12.996 129 H LEU 20 HN LEU 20 90.934 -2.516 9.140 130 HA LEU 20 HA LEU 20 92.748 -2.679 6.836 131 HB2 LEU 20 HB2 LEU 20 89.935 -2.552 7.182 132 HB3 LEU 20 HB1 LEU 20 90.352 -1.026 6.415 133 HG LEU 20 HG LEU 20 89.894 -2.558 4.650 134 HD11 LEU 20 HD11 LEU 20 92.252 -1.243 4.732 135 HD12 LEU 20 HD12 LEU 20 91.752 -2.241 3.368 136 HD13 LEU 20 HD13 LEU 20 92.853 -2.897 4.572 137 HD21 LEU 20 HD21 LEU 20 91.395 -4.496 6.381 138 HD22 LEU 20 HD22 LEU 20 91.457 -4.742 4.641 139 HD23 LEU 20 HD23 LEU 20 89.904 -4.719 5.470 140 H SER 21 HN SER 21 93.995 -0.989 6.122 141 HA SER 21 HA SER 21 94.250 1.320 7.883 142 HB2 SER 21 HB2 SER 21 96.061 0.045 6.401 143 HB3 SER 21 HB1 SER 21 95.571 1.236 5.198 144 HG SER 21 HG SER 21 95.926 2.290 7.697 145 H VAL 22 HN VAL 22 93.734 3.449 7.404 146 HA VAL 22 HA VAL 22 92.303 3.974 4.854 147 HB VAL 22 HB VAL 22 91.173 4.429 7.623 148 HG11 VAL 22 HG11 VAL 22 89.342 5.669 6.385 149 HG12 VAL 22 HG12 VAL 22 90.431 5.762 5.001 150 HG13 VAL 22 HG13 VAL 22 90.860 6.552 6.522 151 HG21 VAL 22 HG21 VAL 22 89.241 3.295 6.611 152 HG22 VAL 22 HG22 VAL 22 90.693 2.307 6.426 153 HG23 VAL 22 HG23 VAL 22 90.080 3.246 5.058 154 H HIS 23 HN HIS 23 93.619 5.405 3.975 155 HA HIS 23 HA HIS 23 95.029 7.426 5.559 156 HB2 HIS 23 HB2 HIS 23 94.856 6.615 2.676 157 HB3 HIS 23 HB1 HIS 23 95.524 8.203 3.063 158 HD1 HIS 23 HD1 HIS 23 97.986 8.174 3.421 159 HD2 HIS 23 HD2 HIS 23 96.268 4.504 4.400 160 HE1 HIS 23 HE1 HIS 23 99.890 6.654 4.111 161 H VAL 24 HN VAL 24 93.626 8.946 6.412 162 HA VAL 24 HA VAL 24 91.299 9.837 4.926 163 HB VAL 24 HB VAL 24 92.460 11.490 7.158 164 HG11 VAL 24 HG11 VAL 24 90.216 11.906 6.007 165 HG12 VAL 24 HG12 VAL 24 90.149 11.749 7.763 166 HG13 VAL 24 HG13 VAL 24 89.665 10.401 6.744 167 HG21 VAL 24 HG21 VAL 24 92.910 9.310 8.040 168 HG22 VAL 24 HG22 VAL 24 91.389 8.668 7.414 169 HG23 VAL 24 HG23 VAL 24 91.380 9.808 8.761 170 H THR 25 HN THR 25 91.756 10.808 3.014 171 HA THR 25 HA THR 25 94.114 12.362 2.526 172 HB THR 25 HB THR 25 93.279 12.634 0.350 173 HG1 THR 25 HG1 THR 25 91.275 13.153 -0.023 174 HG21 THR 25 HG21 THR 25 91.687 10.237 1.280 175 HG22 THR 25 HG22 THR 25 93.445 10.208 1.155 176 HG23 THR 25 HG23 THR 25 92.464 10.481 -0.284 177 H ASP 26 HN ASP 26 90.723 13.534 2.452 178 HA ASP 26 HA ASP 26 91.270 16.270 2.452 179 HB2 ASP 26 HB2 ASP 26 89.003 15.433 2.215 180 HB3 ASP 26 HB1 ASP 26 89.029 14.804 3.863 181 H LEU 27 HN LEU 27 92.119 14.086 4.894 182 HA LEU 27 HA LEU 27 92.430 16.315 6.887 183 HB2 LEU 27 HB2 LEU 27 91.401 13.567 7.106 184 HB3 LEU 27 HB1 LEU 27 92.550 13.969 8.366 185 HG LEU 27 HG LEU 27 90.265 15.832 7.696 186 HD11 LEU 27 HD11 LEU 27 89.106 14.694 9.684 187 HD12 LEU 27 HD12 LEU 27 90.238 13.363 9.439 188 HD13 LEU 27 HD13 LEU 27 89.104 13.805 8.161 189 HD21 LEU 27 HD21 LEU 27 91.589 15.308 10.363 190 HD22 LEU 27 HD22 LEU 27 90.684 16.732 9.851 191 HD23 LEU 27 HD23 LEU 27 92.293 16.426 9.196 192 H ASN 28 HN ASN 28 93.887 13.727 5.128 193 HA ASN 28 HA ASN 28 96.144 13.251 4.738 194 HB2 ASN 28 HB2 ASN 28 96.393 15.800 5.166 195 HB3 ASN 28 HB1 ASN 28 96.967 15.338 6.761 196 HD21 ASN 28 HD21 ASN 28 97.997 12.755 5.415 197 HD22 ASN 28 HD22 ASN 28 99.478 13.227 4.743 198 H ARG 29 HN ARG 29 94.439 12.444 7.296 199 HA ARG 29 HA ARG 29 96.685 11.572 9.013 200 HB2 ARG 29 HB2 ARG 29 93.699 11.305 9.367 201 HB3 ARG 29 HB1 ARG 29 94.921 10.857 10.558 202 HG2 ARG 29 HG2 ARG 29 95.692 13.156 10.702 203 HG3 ARG 29 HG1 ARG 29 94.586 13.638 9.424 204 HD2 ARG 29 HD2 ARG 29 93.408 14.231 11.369 205 HD3 ARG 29 HD1 ARG 29 92.735 12.649 10.970 206 HE ARG 29 HE ARG 29 93.731 11.795 12.933 207 HH11 ARG 29 HH11 ARG 29 94.957 12.005 14.821 208 HH12 ARG 29 HH12 ARG 29 95.953 13.405 15.039 209 HH21 ARG 29 HH21 ARG 29 95.073 14.831 12.003 210 HH22 ARG 29 HH22 ARG 29 96.019 15.005 13.443 211 H ASP 30 HN ASP 30 96.064 9.298 9.969 212 HA ASP 30 HA ASP 30 95.235 7.414 7.836 213 HB2 ASP 30 HB2 ASP 30 97.845 7.341 9.369 214 HB3 ASP 30 HB1 ASP 30 97.163 5.919 8.578 215 H VAL 31 HN VAL 31 93.655 6.257 8.693 216 HA VAL 31 HA VAL 31 93.741 5.628 11.631 217 HB VAL 31 HB VAL 31 91.281 5.905 9.908 218 HG11 VAL 31 HG11 VAL 31 90.963 4.565 11.908 219 HG12 VAL 31 HG12 VAL 31 90.212 6.141 12.169 220 HG13 VAL 31 HG13 VAL 31 91.778 5.779 12.893 221 HG21 VAL 31 HG21 VAL 31 92.456 8.074 9.995 222 HG22 VAL 31 HG22 VAL 31 92.578 7.946 11.749 223 HG23 VAL 31 HG23 VAL 31 91.000 8.130 10.987 224 H THR 32 HN THR 32 92.790 3.599 12.218 225 HA THR 32 HA THR 32 92.583 1.590 10.012 226 HB THR 32 HB THR 32 93.717 0.324 12.337 227 HG1 THR 32 HG1 THR 32 95.715 1.927 11.826 228 HG21 THR 32 HG21 THR 32 94.063 -0.114 9.788 229 HG22 THR 32 HG22 THR 32 95.426 -0.365 10.875 230 HG23 THR 32 HG23 THR 32 95.327 1.112 9.915 231 H LEU 33 HN LEU 33 90.894 0.187 10.292 232 HA LEU 33 HA LEU 33 89.292 0.404 12.816 233 HB2 LEU 33 HB2 LEU 33 88.582 0.144 9.911 234 HB3 LEU 33 HB1 LEU 33 87.487 -0.526 11.101 235 HG LEU 33 HG LEU 33 87.019 1.868 10.348 236 HD11 LEU 33 HD11 LEU 33 87.495 1.770 13.325 237 HD12 LEU 33 HD12 LEU 33 86.277 0.737 12.574 238 HD13 LEU 33 HD13 LEU 33 86.155 2.487 12.433 239 HD21 LEU 33 HD21 LEU 33 88.383 3.631 11.090 240 HD22 LEU 33 HD22 LEU 33 89.537 2.440 10.505 241 HD23 LEU 33 HD23 LEU 33 89.249 2.619 12.235 242 H ARG 34 HN ARG 34 89.659 -1.382 14.006 243 HA ARG 34 HA ARG 34 90.709 -3.840 13.068 244 HB2 ARG 34 HB2 ARG 34 90.649 -3.064 15.478 245 HB3 ARG 34 HB1 ARG 34 88.933 -3.459 15.488 246 HG2 ARG 34 HG2 ARG 34 90.099 -5.370 16.379 247 HG3 ARG 34 HG1 ARG 34 89.537 -5.794 14.762 248 HD2 ARG 34 HD2 ARG 34 91.670 -5.787 13.866 249 HD3 ARG 34 HD1 ARG 34 92.289 -4.623 15.035 250 HE ARG 34 HE ARG 34 91.557 -7.189 16.224 251 HH11 ARG 34 HH11 ARG 34 93.283 -8.404 17.029 252 HH12 ARG 34 HH12 ARG 34 94.905 -7.973 16.599 253 HH21 ARG 34 HH21 ARG 34 93.949 -5.284 14.629 254 HH22 ARG 34 HH22 ARG 34 95.282 -6.206 15.240 255 H VAL 35 HN VAL 35 89.624 -4.771 11.388 256 HA VAL 35 HA VAL 35 86.764 -5.539 11.853 257 HB VAL 35 HB VAL 35 86.425 -5.216 9.403 258 HG11 VAL 35 HG11 VAL 35 86.492 -2.676 9.524 259 HG12 VAL 35 HG12 VAL 35 87.293 -2.858 11.087 260 HG13 VAL 35 HG13 VAL 35 85.653 -3.469 10.858 261 HG21 VAL 35 HG21 VAL 35 88.128 -3.711 8.270 262 HG22 VAL 35 HG22 VAL 35 88.658 -5.368 8.554 263 HG23 VAL 35 HG23 VAL 35 89.217 -4.071 9.606 264 H THR 36 HN THR 36 86.250 -7.114 9.849 265 HA THR 36 HA THR 36 88.470 -9.057 9.480 266 HB THR 36 HB THR 36 86.724 -10.880 9.964 267 HG1 THR 36 HG1 THR 36 85.473 -8.582 11.024 268 HG21 THR 36 HG21 THR 36 87.957 -9.101 12.041 269 HG22 THR 36 HG22 THR 36 88.376 -10.752 11.592 270 HG23 THR 36 HG23 THR 36 86.923 -10.439 12.533 271 H GLY 37 HN GLY 37 87.529 -10.809 7.876 272 HA2 GLY 37 HA2 GLY 37 86.479 -9.341 5.594 273 HA3 GLY 37 HA1 GLY 37 86.918 -11.051 5.618 274 H GLU 38 HN GLU 38 84.676 -9.150 7.595 275 HA GLU 38 HA GLU 38 82.393 -10.686 6.511 276 HB2 GLU 38 HB2 GLU 38 81.707 -11.570 8.569 277 HB3 GLU 38 HB1 GLU 38 83.446 -11.810 8.600 278 HG2 GLU 38 HG2 GLU 38 83.173 -10.845 10.697 279 HG3 GLU 38 HG1 GLU 38 83.397 -9.383 9.739 280 H VAL 39 HN VAL 39 83.757 -7.791 7.517 281 HA VAL 39 HA VAL 39 81.269 -6.599 8.478 282 HB VAL 39 HB VAL 39 82.516 -4.760 9.127 283 HG11 VAL 39 HG11 VAL 39 84.734 -6.783 9.011 284 HG12 VAL 39 HG12 VAL 39 83.328 -7.028 10.044 285 HG13 VAL 39 HG13 VAL 39 84.362 -5.624 10.288 286 HG21 VAL 39 HG21 VAL 39 84.797 -4.256 8.097 287 HG22 VAL 39 HG22 VAL 39 83.424 -4.009 7.027 288 HG23 VAL 39 HG23 VAL 39 84.416 -5.461 6.869 289 H HIS 40 HN HIS 40 80.161 -4.912 7.409 290 HA HIS 40 HA HIS 40 80.393 -5.040 4.450 291 HB2 HIS 40 HB2 HIS 40 78.306 -3.245 5.095 292 HB3 HIS 40 HB1 HIS 40 78.116 -4.939 4.657 293 HD1 HIS 40 HD1 HIS 40 77.710 -2.599 7.459 294 HD2 HIS 40 HD2 HIS 40 78.065 -6.727 7.001 295 HE1 HIS 40 HE1 HIS 40 76.934 -3.631 9.638 296 H ILE 41 HN ILE 41 81.109 -3.275 3.232 297 HA ILE 41 HA ILE 41 82.888 -1.400 4.332 298 HB ILE 41 HB ILE 41 81.101 -0.796 1.964 299 HG12 ILE 41 HG12 ILE 41 83.772 -2.214 1.845 300 HG13 ILE 41 HG11 ILE 41 82.242 -3.087 1.875 301 HG21 ILE 41 HG21 ILE 41 83.965 -0.017 2.568 302 HG22 ILE 41 HG22 ILE 41 82.572 1.017 2.884 303 HG23 ILE 41 HG23 ILE 41 82.968 0.552 1.236 304 HD11 ILE 41 HD11 ILE 41 82.394 -0.865 -0.091 305 HD12 ILE 41 HD12 ILE 41 81.682 -2.468 -0.243 306 HD13 ILE 41 HD13 ILE 41 83.423 -2.260 -0.420 307 H GLY 42 HN GLY 42 79.467 -0.985 3.545 308 HA2 GLY 42 HA2 GLY 42 79.120 1.660 4.381 309 HA3 GLY 42 HA1 GLY 42 77.859 0.441 4.448 310 H GLY 43 HN GLY 43 79.967 -1.080 6.143 311 HA2 GLY 43 HA2 GLY 43 78.883 -0.224 8.724 312 HA3 GLY 43 HA1 GLY 43 80.009 -1.559 8.450 313 H VAL 44 HN VAL 44 81.944 -0.115 6.985 314 HA VAL 44 HA VAL 44 83.495 1.022 9.125 315 HB VAL 44 HB VAL 44 83.799 0.606 6.175 316 HG11 VAL 44 HG11 VAL 44 85.960 1.958 6.233 317 HG12 VAL 44 HG12 VAL 44 85.360 2.700 7.716 318 HG13 VAL 44 HG13 VAL 44 84.479 2.914 6.204 319 HG21 VAL 44 HG21 VAL 44 85.744 0.285 8.473 320 HG22 VAL 44 HG22 VAL 44 85.883 -0.412 6.858 321 HG23 VAL 44 HG23 VAL 44 84.613 -0.967 7.950 322 H MET 45 HN MET 45 81.608 2.458 6.429 323 HA MET 45 HA MET 45 82.221 5.181 6.865 324 HB2 MET 45 HB2 MET 45 79.479 4.008 6.276 325 HB3 MET 45 HB1 MET 45 79.940 5.691 6.047 326 HG2 MET 45 HG2 MET 45 81.838 4.675 4.532 327 HG3 MET 45 HG1 MET 45 80.764 3.281 4.458 328 HE1 MET 45 HE1 MET 45 78.559 3.235 2.766 329 HE2 MET 45 HE2 MET 45 77.488 4.611 3.028 330 HE3 MET 45 HE3 MET 45 78.161 3.759 4.409 331 H LEU 46 HN LEU 46 80.218 2.936 8.641 332 HA LEU 46 HA LEU 46 79.095 4.944 10.432 333 HB2 LEU 46 HB2 LEU 46 78.206 2.540 9.771 334 HB3 LEU 46 HB1 LEU 46 79.226 2.010 11.105 335 HG LEU 46 HG LEU 46 78.004 4.005 12.401 336 HD11 LEU 46 HD11 LEU 46 75.713 4.343 11.684 337 HD12 LEU 46 HD12 LEU 46 75.903 3.181 10.372 338 HD13 LEU 46 HD13 LEU 46 76.770 4.718 10.323 339 HD21 LEU 46 HD21 LEU 46 76.817 1.281 11.800 340 HD22 LEU 46 HD22 LEU 46 76.212 2.347 13.069 341 HD23 LEU 46 HD23 LEU 46 77.858 1.721 13.155 342 H LYS 47 HN LYS 47 81.264 2.156 11.118 343 HA LYS 47 HA LYS 47 82.067 2.924 13.687 344 HB2 LYS 47 HB2 LYS 47 83.877 1.627 11.631 345 HB3 LYS 47 HB1 LYS 47 84.026 1.521 13.384 346 HG2 LYS 47 HG2 LYS 47 81.914 0.319 13.537 347 HG3 LYS 47 HG1 LYS 47 81.646 0.520 11.807 348 HD2 LYS 47 HD2 LYS 47 83.877 -0.703 11.468 349 HD3 LYS 47 HD1 LYS 47 83.769 -1.140 13.173 350 HE2 LYS 47 HE2 LYS 47 81.605 -1.724 11.133 351 HE3 LYS 47 HE1 LYS 47 82.835 -2.885 11.632 352 HZ1 LYS 47 HZ1 LYS 47 80.545 -1.847 13.114 353 HZ2 LYS 47 HZ2 LYS 47 81.965 -2.145 13.999 354 HZ3 LYS 47 HZ3 LYS 47 81.228 -3.400 13.121 355 H LEU 48 HN LEU 48 83.988 3.563 10.711 356 HA LEU 48 HA LEU 48 85.981 5.130 11.802 357 HB2 LEU 48 HB2 LEU 48 85.095 4.574 9.237 358 HB3 LEU 48 HB1 LEU 48 84.842 6.306 9.315 359 HG LEU 48 HG LEU 48 87.504 5.614 10.381 360 HD11 LEU 48 HD11 LEU 48 88.542 4.779 8.388 361 HD12 LEU 48 HD12 LEU 48 87.030 4.900 7.488 362 HD13 LEU 48 HD13 LEU 48 87.198 3.702 8.772 363 HD21 LEU 48 HD21 LEU 48 86.527 7.289 8.068 364 HD22 LEU 48 HD22 LEU 48 88.216 7.188 8.561 365 HD23 LEU 48 HD23 LEU 48 87.010 7.855 9.666 366 H VAL 49 HN VAL 49 82.892 6.375 10.600 367 HA VAL 49 HA VAL 49 83.167 9.050 11.497 368 HB VAL 49 HB VAL 49 80.807 7.243 11.005 369 HG11 VAL 49 HG11 VAL 49 80.740 10.107 11.942 370 HG12 VAL 49 HG12 VAL 49 79.956 8.716 12.693 371 HG13 VAL 49 HG13 VAL 49 79.388 9.311 11.138 372 HG21 VAL 49 HG21 VAL 49 80.532 8.540 9.022 373 HG22 VAL 49 HG22 VAL 49 82.261 8.217 9.148 374 HG23 VAL 49 HG23 VAL 49 81.623 9.795 9.613 375 H GLU 50 HN GLU 50 81.552 6.302 13.163 376 HA GLU 50 HA GLU 50 80.738 7.523 15.505 377 HB2 GLU 50 HB2 GLU 50 81.981 4.800 15.089 378 HB3 GLU 50 HB1 GLU 50 81.390 5.311 16.665 379 HG2 GLU 50 HG2 GLU 50 79.703 5.341 14.150 380 HG3 GLU 50 HG1 GLU 50 79.715 4.013 15.306 381 H LYS 51 HN LYS 51 84.045 6.492 14.734 382 HA LYS 51 HA LYS 51 85.102 7.200 17.319 383 HB2 LYS 51 HB2 LYS 51 86.530 6.906 14.674 384 HB3 LYS 51 HB1 LYS 51 87.281 6.901 16.271 385 HG2 LYS 51 HG2 LYS 51 85.704 4.974 16.853 386 HG3 LYS 51 HG1 LYS 51 85.347 4.882 15.132 387 HD2 LYS 51 HD2 LYS 51 88.002 4.444 16.507 388 HD3 LYS 51 HD1 LYS 51 87.079 3.308 15.538 389 HE2 LYS 51 HE2 LYS 51 88.774 4.020 14.067 390 HE3 LYS 51 HE1 LYS 51 87.394 5.013 13.611 391 HZ1 LYS 51 HZ1 LYS 51 88.929 6.166 15.731 392 HZ2 LYS 51 HZ2 LYS 51 88.426 6.853 14.261 393 HZ3 LYS 51 HZ3 LYS 51 89.850 5.930 14.327 394 H LEU 52 HN LEU 52 84.515 8.992 14.361 395 HA LEU 52 HA LEU 52 86.222 11.212 14.905 396 HB2 LEU 52 HB2 LEU 52 84.752 10.436 12.774 397 HB3 LEU 52 HB1 LEU 52 83.635 11.617 13.445 398 HG LEU 52 HG LEU 52 85.509 13.272 13.480 399 HD11 LEU 52 HD11 LEU 52 87.342 12.436 11.638 400 HD12 LEU 52 HD12 LEU 52 86.997 10.909 12.450 401 HD13 LEU 52 HD13 LEU 52 87.573 12.291 13.377 402 HD21 LEU 52 HD21 LEU 52 84.514 12.023 10.920 403 HD22 LEU 52 HD22 LEU 52 85.582 13.424 10.874 404 HD23 LEU 52 HD23 LEU 52 84.017 13.538 11.676 405 H ASP 53 HN ASP 53 82.723 10.896 15.278 406 HA ASP 53 HA ASP 53 81.246 11.752 16.845 407 HB2 ASP 53 HB2 ASP 53 83.218 10.977 18.330 408 HB3 ASP 53 HB1 ASP 53 83.572 12.688 18.493 409 H VAL 54 HN VAL 54 81.002 13.290 15.046 410 HA VAL 54 HA VAL 54 80.829 15.975 16.017 411 HB VAL 54 HB VAL 54 83.217 16.027 15.675 412 HG11 VAL 54 HG11 VAL 54 83.334 14.055 14.202 413 HG12 VAL 54 HG12 VAL 54 84.230 15.421 13.530 414 HG13 VAL 54 HG13 VAL 54 82.642 15.008 12.886 415 HG21 VAL 54 HG21 VAL 54 81.885 18.006 14.902 416 HG22 VAL 54 HG22 VAL 54 81.898 17.334 13.274 417 HG23 VAL 54 HG23 VAL 54 83.409 17.817 14.037 418 H LYS 55 HN LYS 55 79.337 17.085 14.761 419 HA LYS 55 HA LYS 55 77.889 15.650 12.732 420 HB2 LYS 55 HB2 LYS 55 77.223 17.679 14.326 421 HB3 LYS 55 HB1 LYS 55 77.715 18.635 12.934 422 HG2 LYS 55 HG2 LYS 55 75.339 18.205 12.813 423 HG3 LYS 55 HG1 LYS 55 76.127 17.341 11.513 424 HD2 LYS 55 HD2 LYS 55 75.612 15.268 12.395 425 HD3 LYS 55 HD1 LYS 55 75.790 15.816 14.055 426 HE2 LYS 55 HE2 LYS 55 73.603 16.621 14.172 427 HE3 LYS 55 HE1 LYS 55 73.483 16.833 12.427 428 HZ1 LYS 55 HZ1 LYS 55 72.432 14.772 13.754 429 HZ2 LYS 55 HZ2 LYS 55 73.937 14.115 13.318 430 HZ3 LYS 55 HZ3 LYS 55 72.886 14.708 12.122 431 H LYS 56 HN LYS 56 80.746 15.923 12.092 432 HA LYS 56 HA LYS 56 80.968 17.922 9.979 433 HB2 LYS 56 HB2 LYS 56 82.961 17.156 11.235 434 HB3 LYS 56 HB1 LYS 56 82.725 15.525 10.601 435 HG2 LYS 56 HG2 LYS 56 83.337 16.141 8.422 436 HG3 LYS 56 HG1 LYS 56 82.936 17.837 8.675 437 HD2 LYS 56 HD2 LYS 56 85.346 17.645 8.587 438 HD3 LYS 56 HD1 LYS 56 84.889 18.008 10.249 439 HE2 LYS 56 HE2 LYS 56 85.233 15.151 9.346 440 HE3 LYS 56 HE1 LYS 56 86.628 16.117 9.827 441 HZ1 LYS 56 HZ1 LYS 56 85.939 15.095 11.779 442 HZ2 LYS 56 HZ2 LYS 56 84.290 15.331 11.451 443 HZ3 LYS 56 HZ3 LYS 56 85.267 16.648 11.894 444 H ASP 57 HN ASP 57 81.593 17.150 7.712 445 HA ASP 57 HA ASP 57 79.484 15.809 6.469 446 HB2 ASP 57 HB2 ASP 57 81.293 15.325 4.646 447 HB3 ASP 57 HB1 ASP 57 80.909 16.998 5.036 448 H TRP 58 HN TRP 58 78.813 13.799 7.030 449 HA TRP 58 HA TRP 58 80.835 11.659 7.546 450 HB2 TRP 58 HB2 TRP 58 77.901 11.945 8.215 451 HB3 TRP 58 HB1 TRP 58 78.768 10.438 8.404 452 HD1 TRP 58 HD1 TRP 58 81.184 13.026 9.284 453 HE1 TRP 58 HE1 TRP 58 81.272 13.381 11.826 454 HE3 TRP 58 HE3 TRP 58 76.884 10.639 10.669 455 HZ2 TRP 58 HZ2 TRP 58 79.697 12.748 14.151 456 HZ3 TRP 58 HZ3 TRP 58 76.202 10.541 13.042 457 HH2 TRP 58 HH2 TRP 58 77.607 11.595 14.786 458 H SER 59 HN SER 59 77.530 11.113 6.514 459 HA SER 59 HA SER 59 78.010 9.111 4.666 460 HB2 SER 59 HB2 SER 59 75.767 10.165 5.403 461 HB3 SER 59 HB1 SER 59 75.979 11.235 4.031 462 HG SER 59 HG SER 59 74.802 9.301 3.537 463 H ASP 60 HN ASP 60 77.924 12.603 3.912 464 HA ASP 60 HA ASP 60 78.337 12.596 1.177 465 HB2 ASP 60 HB2 ASP 60 78.185 14.691 2.367 466 HB3 ASP 60 HB1 ASP 60 79.650 14.338 3.282 467 H HIS 61 HN HIS 61 80.429 11.357 3.599 468 HA HIS 61 HA HIS 61 82.783 11.307 1.852 469 HB2 HIS 61 HB2 HIS 61 83.995 10.833 3.761 470 HB3 HIS 61 HB1 HIS 61 82.583 11.531 4.541 471 HD1 HIS 61 HD1 HIS 61 81.335 10.034 6.148 472 HD2 HIS 61 HD2 HIS 61 83.880 7.856 3.667 473 HE1 HIS 61 HE1 HIS 61 81.249 7.639 6.960 474 H ALA 62 HN ALA 62 83.917 9.198 1.627 475 HA ALA 62 HA ALA 62 82.471 6.718 1.800 476 HB1 ALA 62 HB1 ALA 62 82.504 8.186 -0.834 477 HB2 ALA 62 HB2 ALA 62 81.169 7.325 -0.066 478 HB3 ALA 62 HB3 ALA 62 82.495 6.422 -0.798 479 H LEU 63 HN LEU 63 83.897 4.936 1.154 480 HA LEU 63 HA LEU 63 86.743 5.817 1.086 481 HB2 LEU 63 HB2 LEU 63 85.779 2.963 1.286 482 HB3 LEU 63 HB1 LEU 63 87.331 3.622 1.763 483 HG LEU 63 HG LEU 63 86.095 3.258 3.762 484 HD11 LEU 63 HD11 LEU 63 85.783 6.204 3.182 485 HD12 LEU 63 HD12 LEU 63 87.344 5.439 3.477 486 HD13 LEU 63 HD13 LEU 63 86.111 5.434 4.734 487 HD21 LEU 63 HD21 LEU 63 83.822 5.087 3.158 488 HD22 LEU 63 HD22 LEU 63 83.846 3.570 4.048 489 HD23 LEU 63 HD23 LEU 63 83.796 3.550 2.292 490 H TRP 64 HN TRP 64 88.165 5.178 -0.533 491 HA TRP 64 HA TRP 64 86.999 3.835 -2.947 492 HB2 TRP 64 HB2 TRP 64 87.173 5.742 -4.179 493 HB3 TRP 64 HB1 TRP 64 87.570 6.603 -2.721 494 HD1 TRP 64 HD1 TRP 64 89.734 4.249 -4.950 495 HE1 TRP 64 HE1 TRP 64 91.911 5.497 -5.510 496 HE3 TRP 64 HE3 TRP 64 88.801 8.728 -2.686 497 HZ2 TRP 64 HZ2 TRP 64 93.078 8.070 -5.127 498 HZ3 TRP 64 HZ3 TRP 64 90.455 10.570 -2.822 499 HH2 TRP 64 HH2 TRP 64 92.591 10.247 -4.038 500 H TRP 65 HN TRP 65 88.347 2.376 -3.871 501 HA TRP 65 HA TRP 65 90.899 1.824 -2.481 502 HB2 TRP 65 HB2 TRP 65 89.010 0.117 -2.958 503 HB3 TRP 65 HB1 TRP 65 89.589 0.137 -4.615 504 HD1 TRP 65 HD1 TRP 65 92.653 0.577 -2.820 505 HE1 TRP 65 HE1 TRP 65 93.837 -1.653 -2.375 506 HE3 TRP 65 HE3 TRP 65 88.806 -2.675 -3.685 507 HZ2 TRP 65 HZ2 TRP 65 93.254 -4.442 -2.352 508 HZ3 TRP 65 HZ3 TRP 65 89.159 -5.113 -3.448 509 HH2 TRP 65 HH2 TRP 65 91.374 -6.004 -2.782 510 H GLU 66 HN GLU 66 92.285 3.447 -3.510 511 HA GLU 66 HA GLU 66 92.332 3.960 -6.293 512 HB2 GLU 66 HB2 GLU 66 94.736 4.679 -5.918 513 HB3 GLU 66 HB1 GLU 66 93.545 5.454 -4.878 514 HG2 GLU 66 HG2 GLU 66 94.031 3.886 -3.098 515 HG3 GLU 66 HG1 GLU 66 95.178 3.045 -4.125 516 H LYS 67 HN LYS 67 93.526 1.155 -4.571 517 HA LYS 67 HA LYS 67 95.437 0.319 -6.541 518 HB2 LYS 67 HB2 LYS 67 93.632 -1.330 -4.786 519 HB3 LYS 67 HB1 LYS 67 94.844 -2.016 -5.833 520 HG2 LYS 67 HG2 LYS 67 95.392 -1.551 -3.299 521 HG3 LYS 67 HG1 LYS 67 96.604 -1.316 -4.520 522 HD2 LYS 67 HD2 LYS 67 96.215 1.072 -4.519 523 HD3 LYS 67 HD1 LYS 67 94.859 0.879 -3.406 524 HE2 LYS 67 HE2 LYS 67 96.850 1.577 -2.171 525 HE3 LYS 67 HE1 LYS 67 96.403 -0.068 -1.718 526 HZ1 LYS 67 HZ1 LYS 67 98.113 -0.143 -3.952 527 HZ2 LYS 67 HZ2 LYS 67 98.366 -0.783 -2.399 528 HZ3 LYS 67 HZ3 LYS 67 98.829 0.814 -2.749 529 H LYS 68 HN LYS 68 92.121 0.782 -6.447 530 HA LYS 68 HA LYS 68 91.658 -0.622 -9.041 531 HB2 LYS 68 HB2 LYS 68 89.437 -0.285 -7.040 532 HB3 LYS 68 HB1 LYS 68 89.636 -1.513 -8.286 533 HG2 LYS 68 HG2 LYS 68 91.478 -1.386 -5.875 534 HG3 LYS 68 HG1 LYS 68 89.950 -2.239 -5.841 535 HD2 LYS 68 HD2 LYS 68 90.608 -3.704 -7.621 536 HD3 LYS 68 HD1 LYS 68 92.046 -2.739 -7.956 537 HE2 LYS 68 HE2 LYS 68 93.192 -3.572 -6.127 538 HE3 LYS 68 HE1 LYS 68 91.734 -3.844 -5.184 539 HZ1 LYS 68 HZ1 LYS 68 93.132 -5.746 -6.509 540 HZ2 LYS 68 HZ2 LYS 68 91.856 -5.419 -7.582 541 HZ3 LYS 68 HZ3 LYS 68 91.525 -5.896 -5.986 542 H ARG 69 HN ARG 69 91.491 2.283 -7.240 543 HA ARG 69 HA ARG 69 90.520 4.378 -7.697 544 HB2 ARG 69 HB2 ARG 69 90.723 3.209 -10.496 545 HB3 ARG 69 HB1 ARG 69 90.121 4.830 -10.190 546 HG2 ARG 69 HG2 ARG 69 92.378 5.272 -10.573 547 HG3 ARG 69 HG1 ARG 69 92.378 5.097 -8.822 548 HD2 ARG 69 HD2 ARG 69 94.165 3.723 -9.466 549 HD3 ARG 69 HD1 ARG 69 92.841 2.571 -9.332 550 HE ARG 69 HE ARG 69 93.010 3.631 -12.011 551 HH11 ARG 69 HH11 ARG 69 93.793 2.226 -13.604 552 HH12 ARG 69 HH12 ARG 69 94.669 0.808 -13.133 553 HH21 ARG 69 HH21 ARG 69 94.415 1.454 -9.736 554 HH22 ARG 69 HH22 ARG 69 95.021 0.371 -10.944 555 H THR 70 HN THR 70 88.846 2.475 -6.690 556 HA THR 70 HA THR 70 86.309 2.746 -8.283 557 HB THR 70 HB THR 70 87.312 0.445 -7.696 558 HG1 THR 70 HG1 THR 70 85.173 0.749 -8.377 559 HG21 THR 70 HG21 THR 70 87.198 -0.386 -5.531 560 HG22 THR 70 HG22 THR 70 85.975 0.789 -5.044 561 HG23 THR 70 HG23 THR 70 87.655 1.291 -5.229 562 H TRP 71 HN TRP 71 84.447 2.316 -6.491 563 HA TRP 71 HA TRP 71 84.848 4.232 -4.242 564 HB2 TRP 71 HB2 TRP 71 82.177 4.453 -4.718 565 HB3 TRP 71 HB1 TRP 71 83.356 5.530 -5.454 566 HD1 TRP 71 HD1 TRP 71 81.764 2.095 -6.289 567 HE1 TRP 71 HE1 TRP 71 81.403 1.968 -8.789 568 HE3 TRP 71 HE3 TRP 71 83.728 6.598 -7.666 569 HZ2 TRP 71 HZ2 TRP 71 81.865 3.563 -11.133 570 HZ3 TRP 71 HZ3 TRP 71 83.750 7.268 -10.053 571 HH2 TRP 71 HH2 TRP 71 82.822 5.758 -11.786 572 H LEU 72 HN LEU 72 85.053 2.743 -2.630 573 HA LEU 72 HA LEU 72 83.855 0.178 -2.707 574 HB2 LEU 72 HB2 LEU 72 84.766 1.750 -0.309 575 HB3 LEU 72 HB1 LEU 72 84.523 0.012 -0.358 576 HG LEU 72 HG LEU 72 86.378 1.424 -2.274 577 HD11 LEU 72 HD11 LEU 72 87.308 1.979 -0.185 578 HD12 LEU 72 HD12 LEU 72 88.197 0.547 -0.710 579 HD13 LEU 72 HD13 LEU 72 86.919 0.398 0.497 580 HD21 LEU 72 HD21 LEU 72 85.638 -1.402 -1.718 581 HD22 LEU 72 HD22 LEU 72 87.365 -1.116 -1.884 582 HD23 LEU 72 HD23 LEU 72 86.269 -0.662 -3.187 583 H LEU 73 HN LEU 73 81.722 0.446 -3.232 584 HA LEU 73 HA LEU 73 79.920 1.374 -1.027 585 HB2 LEU 73 HB2 LEU 73 78.201 1.782 -2.839 586 HB3 LEU 73 HB1 LEU 73 79.574 2.881 -2.860 587 HG LEU 73 HG LEU 73 80.567 1.115 -4.570 588 HD11 LEU 73 HD11 LEU 73 78.707 0.271 -6.059 589 HD12 LEU 73 HD12 LEU 73 77.595 0.618 -4.734 590 HD13 LEU 73 HD13 LEU 73 78.876 -0.575 -4.524 591 HD21 LEU 73 HD21 LEU 73 78.430 3.150 -5.207 592 HD22 LEU 73 HD22 LEU 73 79.445 2.387 -6.432 593 HD23 LEU 73 HD23 LEU 73 80.174 3.403 -5.192 594 H LYS 74 HN LYS 74 81.188 -1.326 -2.182 595 HA LYS 74 HA LYS 74 78.865 -2.923 -2.811 596 HB2 LYS 74 HB2 LYS 74 81.289 -4.277 -1.670 597 HB3 LYS 74 HB1 LYS 74 80.303 -4.724 -3.053 598 HG2 LYS 74 HG2 LYS 74 82.266 -2.427 -2.985 599 HG3 LYS 74 HG1 LYS 74 82.585 -3.998 -3.682 600 HD2 LYS 74 HD2 LYS 74 81.446 -3.535 -5.605 601 HD3 LYS 74 HD1 LYS 74 80.079 -2.857 -4.736 602 HE2 LYS 74 HE2 LYS 74 80.857 -0.986 -5.866 603 HE3 LYS 74 HE1 LYS 74 81.719 -0.825 -4.355 604 HZ1 LYS 74 HZ1 LYS 74 83.521 -2.196 -5.491 605 HZ2 LYS 74 HZ2 LYS 74 83.353 -0.572 -5.960 606 HZ3 LYS 74 HZ3 LYS 74 82.728 -1.812 -6.940 607 H THR 75 HN THR 75 78.405 -1.487 -0.317 608 HA THR 75 HA THR 75 78.902 -3.079 1.981 609 HB THR 75 HB THR 75 77.913 -1.130 2.709 610 HG1 THR 75 HG1 THR 75 76.412 -2.203 3.694 611 HG21 THR 75 HG21 THR 75 76.481 -1.223 0.074 612 HG22 THR 75 HG22 THR 75 77.476 0.062 0.768 613 HG23 THR 75 HG23 THR 75 75.842 -0.209 1.366 614 H HIS 76 HN HIS 76 77.217 -3.908 -0.783 615 HA HIS 76 HA HIS 76 75.017 -5.412 0.194 616 HB2 HIS 76 HB2 HIS 76 75.561 -4.847 -2.231 617 HB3 HIS 76 HB1 HIS 76 76.716 -6.179 -2.188 618 HD1 HIS 76 HD1 HIS 76 73.092 -5.436 -2.427 619 HD2 HIS 76 HD2 HIS 76 75.487 -8.782 -1.764 620 HE1 HIS 76 HE1 HIS 76 71.596 -7.459 -2.724 621 H TRP 77 HN TRP 77 77.913 -7.027 -1.124 622 HA TRP 77 HA TRP 77 77.476 -9.262 0.737 623 HB2 TRP 77 HB2 TRP 77 79.703 -8.816 -1.248 624 HB3 TRP 77 HB1 TRP 77 79.382 -10.315 -0.392 625 HD1 TRP 77 HD1 TRP 77 78.286 -8.245 -3.318 626 HE1 TRP 77 HE1 TRP 77 76.480 -9.504 -4.625 627 HE3 TRP 77 HE3 TRP 77 77.325 -12.054 -0.059 628 HZ2 TRP 77 HZ2 TRP 77 74.823 -11.822 -4.346 629 HZ3 TRP 77 HZ3 TRP 77 75.626 -13.774 -0.605 630 HH2 TRP 77 HH2 TRP 77 74.374 -13.663 -2.743 631 H THR 78 HN THR 78 80.810 -9.054 0.329 632 HA THR 78 HA THR 78 81.248 -7.242 2.618 633 HB THR 78 HB THR 78 82.478 -9.821 3.284 634 HG1 THR 78 HG1 THR 78 80.550 -10.469 2.088 635 HG21 THR 78 HG21 THR 78 82.245 -8.344 5.080 636 HG22 THR 78 HG22 THR 78 80.906 -9.460 5.338 637 HG23 THR 78 HG23 THR 78 80.600 -7.882 4.639 638 H LEU 79 HN LEU 79 83.449 -6.706 2.883 639 HA LEU 79 HA LEU 79 85.023 -6.467 0.638 640 HB2 LEU 79 HB2 LEU 79 86.850 -6.035 2.035 641 HB3 LEU 79 HB1 LEU 79 85.445 -5.349 2.732 642 HG LEU 79 HG LEU 79 86.737 -7.910 3.558 643 HD11 LEU 79 HD11 LEU 79 87.521 -6.728 5.488 644 HD12 LEU 79 HD12 LEU 79 86.549 -5.315 5.078 645 HD13 LEU 79 HD13 LEU 79 87.943 -5.746 4.083 646 HD21 LEU 79 HD21 LEU 79 84.445 -8.169 4.175 647 HD22 LEU 79 HD22 LEU 79 84.267 -6.448 4.476 648 HD23 LEU 79 HD23 LEU 79 85.148 -7.450 5.623 649 H ASP 80 HN ASP 80 85.194 -9.124 2.963 650 HA ASP 80 HA ASP 80 87.219 -10.684 1.861 651 HB2 ASP 80 HB2 ASP 80 85.570 -11.098 3.819 652 HB3 ASP 80 HB1 ASP 80 84.558 -11.885 2.626 653 H LYS 81 HN LYS 81 83.932 -10.178 0.704 654 HA LYS 81 HA LYS 81 84.052 -12.252 -1.285 655 HB2 LYS 81 HB2 LYS 81 81.839 -11.819 -1.356 656 HB3 LYS 81 HB1 LYS 81 82.072 -10.390 -0.383 657 HG2 LYS 81 HG2 LYS 81 82.555 -10.327 -3.360 658 HG3 LYS 81 HG1 LYS 81 80.949 -10.146 -2.705 659 HD2 LYS 81 HD2 LYS 81 81.925 -8.287 -1.244 660 HD3 LYS 81 HD1 LYS 81 83.327 -8.358 -2.277 661 HE2 LYS 81 HE2 LYS 81 81.702 -8.111 -4.245 662 HE3 LYS 81 HE1 LYS 81 80.518 -7.639 -3.032 663 HZ1 LYS 81 HZ1 LYS 81 81.768 -5.766 -4.048 664 HZ2 LYS 81 HZ2 LYS 81 83.173 -6.361 -3.301 665 HZ3 LYS 81 HZ3 LYS 81 81.864 -5.835 -2.357 666 H TYR 82 HN TYR 82 85.087 -8.975 -1.102 667 HA TYR 82 HA TYR 82 85.748 -8.857 -3.963 668 HB2 TYR 82 HB2 TYR 82 85.226 -6.881 -2.224 669 HB3 TYR 82 HB1 TYR 82 86.969 -6.948 -1.986 670 HD1 TYR 82 HD1 TYR 82 88.244 -7.355 -4.434 671 HD2 TYR 82 HD2 TYR 82 84.548 -5.266 -3.773 672 HE1 TYR 82 HE1 TYR 82 88.576 -6.099 -6.542 673 HE2 TYR 82 HE2 TYR 82 84.884 -4.008 -5.881 674 HH TYR 82 HH TYR 82 87.652 -4.696 -8.008 675 H GLY 83 HN GLY 83 87.561 -9.071 -0.867 676 HA2 GLY 83 HA2 GLY 83 89.375 -10.882 -0.895 677 HA3 GLY 83 HA1 GLY 83 89.873 -10.241 -2.460 678 H ILE 84 HN ILE 84 88.809 -7.835 -0.431 679 HA ILE 84 HA ILE 84 91.275 -6.430 -0.255 680 HB ILE 84 HB ILE 84 88.709 -6.368 1.279 681 HG12 ILE 84 HG12 ILE 84 89.634 -4.314 -0.704 682 HG13 ILE 84 HG11 ILE 84 88.873 -5.808 -1.249 683 HG21 ILE 84 HG21 ILE 84 90.403 -5.299 2.670 684 HG22 ILE 84 HG22 ILE 84 89.262 -4.124 2.036 685 HG23 ILE 84 HG23 ILE 84 90.867 -4.270 1.309 686 HD11 ILE 84 HD11 ILE 84 87.583 -4.124 0.892 687 HD12 ILE 84 HD12 ILE 84 86.842 -5.308 -0.181 688 HD13 ILE 84 HD13 ILE 84 87.351 -3.746 -0.817 689 H GLN 85 HN GLN 85 92.472 -5.969 1.797 690 HA GLN 85 HA GLN 85 92.094 -7.700 4.092 691 HB2 GLN 85 HB2 GLN 85 93.386 -9.000 2.105 692 HB3 GLN 85 HB1 GLN 85 94.764 -8.171 2.816 693 HG2 GLN 85 HG2 GLN 85 94.774 -10.094 4.126 694 HG3 GLN 85 HG1 GLN 85 93.694 -9.095 5.098 695 HE21 GLN 85 HE21 GLN 85 91.339 -9.224 3.607 696 HE22 GLN 85 HE22 GLN 85 90.774 -10.816 3.574 697 H ALA 86 HN ALA 86 94.576 -7.549 5.240 698 HA ALA 86 HA ALA 86 94.733 -4.814 6.091 699 HB1 ALA 86 HB1 ALA 86 96.794 -7.010 6.347 700 HB2 ALA 86 HB2 ALA 86 95.428 -6.795 7.445 701 HB3 ALA 86 HB3 ALA 86 96.684 -5.561 7.349 702 H ASP 87 HN ASP 87 96.319 -6.645 3.599 703 HA ASP 87 HA ASP 87 98.510 -4.770 3.219 704 HB2 ASP 87 HB2 ASP 87 98.869 -7.023 2.550 705 HB3 ASP 87 HB1 ASP 87 97.377 -7.072 1.630 706 H ALA 88 HN ALA 88 95.233 -4.775 2.534 707 HA ALA 88 HA ALA 88 95.445 -3.080 0.106 708 HB1 ALA 88 HB1 ALA 88 93.737 -4.862 0.235 709 HB2 ALA 88 HB2 ALA 88 92.985 -3.267 0.119 710 HB3 ALA 88 HB3 ALA 88 93.075 -4.097 1.673 711 H LYS 89 HN LYS 89 95.887 -0.929 0.571 712 HA LYS 89 HA LYS 89 94.801 0.231 3.093 713 HB2 LYS 89 HB2 LYS 89 96.580 1.724 1.178 714 HB3 LYS 89 HB1 LYS 89 96.397 1.935 2.917 715 HG2 LYS 89 HG2 LYS 89 97.605 -0.536 1.647 716 HG3 LYS 89 HG1 LYS 89 98.538 0.834 2.208 717 HD2 LYS 89 HD2 LYS 89 98.049 0.444 4.464 718 HD3 LYS 89 HD1 LYS 89 96.615 -0.500 4.089 719 HE2 LYS 89 HE2 LYS 89 98.445 -1.959 4.845 720 HE3 LYS 89 HE1 LYS 89 97.997 -2.291 3.171 721 HZ1 LYS 89 HZ1 LYS 89 100.448 -1.180 4.244 722 HZ2 LYS 89 HZ2 LYS 89 99.861 -0.409 2.847 723 HZ3 LYS 89 HZ3 LYS 89 100.191 -2.076 2.827 724 H LEU 90 HN LEU 90 92.944 1.168 3.015 725 HA LEU 90 HA LEU 90 91.889 2.263 0.466 726 HB2 LEU 90 HB2 LEU 90 90.329 2.209 3.032 727 HB3 LEU 90 HB1 LEU 90 89.752 2.044 1.376 728 HG LEU 90 HG LEU 90 91.380 0.006 2.905 729 HD11 LEU 90 HD11 LEU 90 89.199 -0.128 3.763 730 HD12 LEU 90 HD12 LEU 90 89.195 -1.332 2.475 731 HD13 LEU 90 HD13 LEU 90 88.463 0.249 2.207 732 HD21 LEU 90 HD21 LEU 90 92.002 -0.226 0.626 733 HD22 LEU 90 HD22 LEU 90 90.370 0.134 0.055 734 HD23 LEU 90 HD23 LEU 90 90.714 -1.410 0.842 735 H GLN 91 HN GLN 91 90.516 4.347 0.912 736 HA GLN 91 HA GLN 91 91.986 6.210 2.721 737 HB2 GLN 91 HB2 GLN 91 91.057 6.926 -0.072 738 HB3 GLN 91 HB1 GLN 91 92.020 7.920 1.016 739 HG2 GLN 91 HG2 GLN 91 93.958 6.649 0.668 740 HG3 GLN 91 HG1 GLN 91 93.071 5.247 0.122 741 HE21 GLN 91 HE21 GLN 91 91.851 8.129 -1.168 742 HE22 GLN 91 HE22 GLN 91 92.586 8.025 -2.676 743 H PHE 92 HN PHE 92 90.693 8.151 3.188 744 HA PHE 92 HA PHE 92 87.739 7.713 2.885 745 HB2 PHE 92 HB2 PHE 92 88.257 7.268 5.173 746 HB3 PHE 92 HB1 PHE 92 89.363 8.617 5.276 747 HD1 PHE 92 HD1 PHE 92 88.322 11.027 4.970 748 HD2 PHE 92 HD2 PHE 92 86.021 7.500 5.824 749 HE1 PHE 92 HE1 PHE 92 86.483 12.435 5.826 750 HE2 PHE 92 HE2 PHE 92 84.191 8.917 6.696 751 HZ PHE 92 HZ PHE 92 84.414 11.382 6.688 752 H THR 93 HN THR 93 86.795 9.363 1.813 753 HA THR 93 HA THR 93 88.006 12.090 1.982 754 HB THR 93 HB THR 93 88.919 11.275 -0.072 755 HG1 THR 93 HG1 THR 93 88.180 12.852 -1.242 756 HG21 THR 93 HG21 THR 93 87.742 9.258 -0.447 757 HG22 THR 93 HG22 THR 93 87.294 10.285 -1.809 758 HG23 THR 93 HG23 THR 93 86.178 10.075 -0.459 759 HA PRO 94 HA PRO 94 83.746 13.230 2.543 760 HB2 PRO 94 HB2 PRO 94 83.731 15.776 1.445 761 HB3 PRO 94 HB1 PRO 94 84.388 15.390 3.049 762 HG2 PRO 94 HG2 PRO 94 85.829 15.728 0.452 763 HG3 PRO 94 HG1 PRO 94 86.267 16.315 2.068 764 HD2 PRO 94 HD2 PRO 94 87.436 14.125 1.014 765 HD3 PRO 94 HD1 PRO 94 87.077 14.232 2.751 766 H TYR 541 HT1 TYR 541 52.379 38.525 9.873 767 HA TYR 541 HA TYR 541 53.728 38.399 11.648 768 HB2 TYR 541 HB2 TYR 541 52.896 40.709 12.333 769 HB3 TYR 541 HB1 TYR 541 51.696 39.885 13.329 770 HD1 TYR 541 HD1 TYR 541 52.261 39.317 15.534 771 HD2 TYR 541 HD2 TYR 541 55.386 39.868 12.636 772 HE1 TYR 541 HE1 TYR 541 53.963 39.005 17.309 773 HE2 TYR 541 HE2 TYR 541 57.088 39.555 14.414 774 HH TYR 541 HH TYR 541 56.213 39.414 17.790 775 H HIS 542 HN HIS 542 51.969 36.384 10.912 776 HA HIS 542 HA HIS 542 51.653 34.980 13.473 777 HB2 HIS 542 HB2 HIS 542 49.448 36.356 12.426 778 HB3 HIS 542 HB1 HIS 542 49.170 34.708 11.888 779 HD1 HIS 542 HD1 HIS 542 48.747 36.870 14.767 780 HD2 HIS 542 HD2 HIS 542 49.341 32.783 14.201 781 HE1 HIS 542 HE1 HIS 542 48.059 35.741 16.927 782 H GLU 543 HN GLU 543 50.224 34.492 10.241 783 HA GLU 543 HA GLU 543 51.886 31.999 9.959 784 HB2 GLU 543 HB2 GLU 543 49.954 31.123 8.609 785 HB3 GLU 543 HB1 GLU 543 49.564 31.390 10.309 786 HG2 GLU 543 HG2 GLU 543 48.536 33.545 9.768 787 HG3 GLU 543 HG1 GLU 543 48.983 33.354 8.072 788 H ARG 544 HN ARG 544 51.223 35.063 8.717 789 HA ARG 544 HA ARG 544 51.268 34.766 5.934 790 HB2 ARG 544 HB2 ARG 544 52.917 36.851 7.379 791 HB3 ARG 544 HB1 ARG 544 52.118 36.992 5.814 792 HG2 ARG 544 HG2 ARG 544 50.751 36.731 8.503 793 HG3 ARG 544 HG1 ARG 544 50.818 38.180 7.512 794 HD2 ARG 544 HD2 ARG 544 49.764 36.545 5.678 795 HD3 ARG 544 HD1 ARG 544 49.202 35.689 7.109 796 HE ARG 544 HE ARG 544 48.033 38.037 6.044 797 HH11 ARG 544 HH11 ARG 544 46.887 39.545 7.244 798 HH12 ARG 544 HH12 ARG 544 47.015 39.542 8.971 799 HH21 ARG 544 HH21 ARG 544 49.183 36.851 9.078 800 HH22 ARG 544 HH22 ARG 544 48.319 38.027 10.004 801 H ARG 545 HN ARG 545 54.066 34.846 8.161 802 HA ARG 545 HA ARG 545 56.101 34.574 6.237 803 HB2 ARG 545 HB2 ARG 545 55.850 33.693 9.117 804 HB3 ARG 545 HB1 ARG 545 57.320 33.414 8.192 805 HG2 ARG 545 HG2 ARG 545 57.595 35.497 9.371 806 HG3 ARG 545 HG1 ARG 545 57.377 35.858 7.665 807 HD2 ARG 545 HD2 ARG 545 55.160 36.601 7.974 808 HD3 ARG 545 HD1 ARG 545 55.033 35.835 9.558 809 HE ARG 545 HE ARG 545 57.081 37.679 9.867 810 HH11 ARG 545 HH11 ARG 545 56.717 39.810 10.526 811 HH12 ARG 545 HH12 ARG 545 55.166 40.532 10.258 812 HH21 ARG 545 HH21 ARG 545 53.819 37.713 8.752 813 HH22 ARG 545 HH22 ARG 545 53.524 39.344 9.254 814 H GLY 546 HN GLY 546 56.405 31.850 8.182 815 HA2 GLY 546 HA2 GLY 546 55.430 30.022 6.000 816 HA3 GLY 546 HA1 GLY 546 57.017 29.818 6.734 817 H SER 547 HN SER 547 57.106 29.158 9.005 818 HA SER 547 HA SER 547 54.719 28.442 10.473 819 HB2 SER 547 HB2 SER 547 56.020 26.433 8.678 820 HB3 SER 547 HB1 SER 547 55.473 25.870 10.255 821 HG SER 547 HG SER 547 54.026 26.825 8.067 822 H LEU 548 HN LEU 548 55.482 28.661 12.554 823 HA LEU 548 HA LEU 548 58.229 28.838 13.169 824 HB2 LEU 548 HB2 LEU 548 55.702 28.703 14.700 825 HB3 LEU 548 HB1 LEU 548 57.115 28.163 15.598 826 HG LEU 548 HG LEU 548 58.258 30.326 14.871 827 HD11 LEU 548 HD11 LEU 548 57.000 31.053 13.022 828 HD12 LEU 548 HD12 LEU 548 56.537 32.162 14.305 829 HD13 LEU 548 HD13 LEU 548 55.467 30.835 13.857 830 HD21 LEU 548 HD21 LEU 548 57.059 29.899 17.107 831 HD22 LEU 548 HD22 LEU 548 55.746 30.866 16.438 832 HD23 LEU 548 HD23 LEU 548 57.350 31.574 16.643 833 H CYS 549 HN CYS 549 59.779 27.400 13.757 834 HA CYS 549 HA CYS 549 59.147 24.534 13.469 835 HB2 CYS 549 HB2 CYS 549 61.240 25.090 12.521 836 HB3 CYS 549 HB1 CYS 549 61.633 26.207 13.814 837 H SER 550 HN SER 550 58.048 23.853 15.240 838 HA SER 550 HA SER 550 58.117 24.915 17.813 839 HB2 SER 550 HB2 SER 550 56.387 23.398 17.325 840 HB3 SER 550 HB1 SER 550 57.506 22.105 16.907 841 HG SER 550 HG SER 550 56.568 22.909 19.344 842 H GLY 551 HN GLY 551 59.524 24.976 19.342 843 HA2 GLY 551 HA2 GLY 551 61.210 23.868 20.795 844 HA3 GLY 551 HA1 GLY 551 61.836 23.067 19.346 845 H CYS 552 HN CYS 552 61.451 25.341 17.663 846 HA CYS 552 HA CYS 552 63.734 27.059 18.543 847 HB2 CYS 552 HB2 CYS 552 62.631 26.137 15.899 848 HB3 CYS 552 HB1 CYS 552 63.555 27.626 15.981 849 H GLN 553 HN GLN 553 60.481 26.917 17.253 850 HA GLN 553 HA GLN 553 58.844 28.487 17.001 851 HB2 GLN 553 HB2 GLN 553 60.254 29.694 19.362 852 HB3 GLN 553 HB1 GLN 553 58.681 30.226 18.763 853 HG2 GLN 553 HG2 GLN 553 59.302 27.376 19.541 854 HG3 GLN 553 HG1 GLN 553 58.542 28.530 20.619 855 HE21 GLN 553 HE21 GLN 553 58.101 26.752 17.588 856 HE22 GLN 553 HE22 GLN 553 56.409 26.882 17.547 857 H LYS 554 HN LYS 554 60.413 28.736 15.133 858 HA LYS 554 HA LYS 554 60.653 31.643 14.623 859 HB2 LYS 554 HB2 LYS 554 62.797 29.618 13.936 860 HB3 LYS 554 HB1 LYS 554 62.799 31.295 13.413 861 HG2 LYS 554 HG2 LYS 554 62.768 30.426 16.313 862 HG3 LYS 554 HG1 LYS 554 64.231 30.854 15.434 863 HD2 LYS 554 HD2 LYS 554 62.946 33.079 14.892 864 HD3 LYS 554 HD1 LYS 554 61.936 32.621 16.260 865 HE2 LYS 554 HE2 LYS 554 63.684 34.018 17.130 866 HE3 LYS 554 HE1 LYS 554 64.057 32.365 17.618 867 HZ1 LYS 554 HZ1 LYS 554 65.281 32.493 15.254 868 HZ2 LYS 554 HZ2 LYS 554 66.044 32.849 16.730 869 HZ3 LYS 554 HZ3 LYS 554 65.440 34.104 15.758 870 HA PRO 555 HA PRO 555 58.041 30.090 11.253 871 HB2 PRO 555 HB2 PRO 555 59.283 32.279 9.688 872 HB3 PRO 555 HB1 PRO 555 57.576 31.898 9.939 873 HG2 PRO 555 HG2 PRO 555 58.873 33.958 11.220 874 HG3 PRO 555 HG1 PRO 555 57.452 33.142 11.878 875 HD2 PRO 555 HD2 PRO 555 60.240 33.030 12.833 876 HD3 PRO 555 HD1 PRO 555 58.758 32.479 13.654 877 H ILE 556 HN ILE 556 58.316 28.585 9.775 878 HA ILE 556 HA ILE 556 61.035 27.967 8.756 879 HB ILE 556 HB ILE 556 58.390 26.467 8.761 880 HG12 ILE 556 HG12 ILE 556 60.945 25.585 10.099 881 HG13 ILE 556 HG11 ILE 556 59.934 26.765 10.902 882 HG21 ILE 556 HG21 ILE 556 59.512 25.790 6.778 883 HG22 ILE 556 HG22 ILE 556 59.857 24.554 7.984 884 HG23 ILE 556 HG23 ILE 556 61.080 25.756 7.587 885 HD11 ILE 556 HD11 ILE 556 58.516 24.361 9.843 886 HD12 ILE 556 HD12 ILE 556 58.274 25.237 11.354 887 HD13 ILE 556 HD13 ILE 556 59.600 24.090 11.205 888 H THR 557 HN THR 557 61.297 29.435 7.027 889 HA THR 557 HA THR 557 59.108 29.644 5.016 890 HB THR 557 HB THR 557 60.091 31.663 4.342 891 HG1 THR 557 HG1 THR 557 62.379 30.378 5.150 892 HG21 THR 557 HG21 THR 557 59.203 31.561 6.732 893 HG22 THR 557 HG22 THR 557 60.303 32.897 6.380 894 HG23 THR 557 HG23 THR 557 60.886 31.478 7.252 895 H GLY 558 HN GLY 558 59.359 27.690 3.948 896 HA2 GLY 558 HA2 GLY 558 60.697 27.501 1.589 897 HA3 GLY 558 HA1 GLY 558 61.912 26.919 2.736 898 H ARG 559 HN ARG 559 61.604 24.958 3.745 899 HA ARG 559 HA ARG 559 59.263 23.310 2.868 900 HB2 ARG 559 HB2 ARG 559 62.182 22.694 3.309 901 HB3 ARG 559 HB1 ARG 559 60.996 21.415 3.570 902 HG2 ARG 559 HG2 ARG 559 60.903 23.040 1.038 903 HG3 ARG 559 HG1 ARG 559 62.078 21.746 1.184 904 HD2 ARG 559 HD2 ARG 559 60.437 20.086 1.359 905 HD3 ARG 559 HD1 ARG 559 59.187 21.213 1.867 906 HE ARG 559 HE ARG 559 59.813 20.400 -0.833 907 HH11 ARG 559 HH11 ARG 559 59.151 21.560 -2.629 908 HH12 ARG 559 HH12 ARG 559 58.569 23.179 -2.437 909 HH21 ARG 559 HH21 ARG 559 58.980 23.209 1.001 910 HH22 ARG 559 HH22 ARG 559 58.473 24.111 -0.389 911 H CYS 560 HN CYS 560 58.342 21.962 4.568 912 HA CYS 560 HA CYS 560 59.340 22.489 7.307 913 HB2 CYS 560 HB2 CYS 560 57.057 23.059 8.100 914 HB3 CYS 560 HB1 CYS 560 57.742 24.271 7.010 915 HG CYS 560 HG CYS 560 55.828 22.104 5.830 916 H ILE 561 HN ILE 561 59.393 20.749 8.454 917 HA ILE 561 HA ILE 561 57.931 18.342 7.576 918 HB ILE 561 HB ILE 561 59.987 18.832 9.753 919 HG12 ILE 561 HG12 ILE 561 60.083 17.568 7.020 920 HG13 ILE 561 HG11 ILE 561 60.832 19.086 7.483 921 HG21 ILE 561 HG21 ILE 561 60.103 16.438 10.037 922 HG22 ILE 561 HG22 ILE 561 58.977 16.168 8.707 923 HG23 ILE 561 HG23 ILE 561 58.406 16.887 10.218 924 HD11 ILE 561 HD11 ILE 561 62.120 17.768 9.231 925 HD12 ILE 561 HD12 ILE 561 62.576 17.456 7.555 926 HD13 ILE 561 HD13 ILE 561 61.553 16.307 8.423 927 H THR 562 HN THR 562 56.442 17.367 8.881 928 HA THR 562 HA THR 562 55.422 18.974 11.189 929 HB THR 562 HB THR 562 53.687 17.164 9.525 930 HG1 THR 562 HG1 THR 562 54.550 19.776 9.076 931 HG21 THR 562 HG21 THR 562 53.021 19.559 11.246 932 HG22 THR 562 HG22 THR 562 53.027 17.901 11.857 933 HG23 THR 562 HG23 THR 562 51.895 18.371 10.585 934 H ALA 563 HN ALA 563 54.754 17.884 12.980 935 HA ALA 563 HA ALA 563 55.500 14.993 13.133 936 HB1 ALA 563 HB1 ALA 563 56.385 15.421 15.335 937 HB2 ALA 563 HB2 ALA 563 55.794 17.085 15.290 938 HB3 ALA 563 HB3 ALA 563 57.106 16.587 14.216 939 H MET 564 HN MET 564 54.589 15.715 16.065 940 HA MET 564 HA MET 564 52.023 14.452 15.926 941 HB2 MET 564 HB2 MET 564 52.879 16.224 18.204 942 HB3 MET 564 HB1 MET 564 52.002 14.693 18.256 943 HG2 MET 564 HG2 MET 564 54.152 13.635 17.302 944 HG3 MET 564 HG1 MET 564 54.935 15.154 17.730 945 HE1 MET 564 HE1 MET 564 52.604 12.423 18.833 946 HE2 MET 564 HE2 MET 564 53.173 11.934 20.427 947 HE3 MET 564 HE3 MET 564 54.178 11.636 19.011 948 H ALA 565 HN ALA 565 52.483 16.902 14.378 949 HA ALA 565 HA ALA 565 50.724 18.333 13.515 950 HB1 ALA 565 HB1 ALA 565 49.184 17.803 15.482 951 HB2 ALA 565 HB2 ALA 565 49.194 19.482 14.956 952 HB3 ALA 565 HB3 ALA 565 50.088 19.014 16.398 953 H LYS 566 HN LYS 566 53.320 18.422 15.587 954 HA LYS 566 HA LYS 566 53.655 21.343 15.649 955 HB2 LYS 566 HB2 LYS 566 55.138 18.938 16.621 956 HB3 LYS 566 HB1 LYS 566 56.116 20.361 16.289 957 HG2 LYS 566 HG2 LYS 566 54.938 21.679 17.867 958 HG3 LYS 566 HG1 LYS 566 53.617 20.520 17.976 959 HD2 LYS 566 HD2 LYS 566 56.393 19.601 18.696 960 HD3 LYS 566 HD1 LYS 566 55.514 20.602 19.844 961 HE2 LYS 566 HE2 LYS 566 53.825 19.000 20.150 962 HE3 LYS 566 HE1 LYS 566 54.147 18.216 18.598 963 HZ1 LYS 566 HZ1 LYS 566 56.457 18.128 20.222 964 HZ2 LYS 566 HZ2 LYS 566 55.548 16.840 19.590 965 HZ3 LYS 566 HZ3 LYS 566 55.140 17.513 21.095 966 H LYS 567 HN LYS 567 55.608 22.319 14.600 967 HA LYS 567 HA LYS 567 56.076 21.102 11.906 968 HB2 LYS 567 HB2 LYS 567 56.771 23.923 12.654 969 HB3 LYS 567 HB1 LYS 567 56.351 23.280 11.079 970 HG2 LYS 567 HG2 LYS 567 54.450 23.639 13.425 971 HG3 LYS 567 HG1 LYS 567 54.502 24.630 11.979 972 HD2 LYS 567 HD2 LYS 567 53.868 21.647 11.999 973 HD3 LYS 567 HD1 LYS 567 52.680 22.945 11.880 974 HE2 LYS 567 HE2 LYS 567 54.048 23.759 9.842 975 HE3 LYS 567 HE1 LYS 567 54.785 22.159 9.883 976 HZ1 LYS 567 HZ1 LYS 567 51.957 22.012 10.138 977 HZ2 LYS 567 HZ2 LYS 567 52.978 21.254 9.011 978 HZ3 LYS 567 HZ3 LYS 567 52.399 22.824 8.716 979 H PHE 568 HN PHE 568 58.442 21.781 11.098 980 HA PHE 568 HA PHE 568 60.387 21.892 13.309 981 HB2 PHE 568 HB2 PHE 568 59.597 19.345 12.003 982 HB3 PHE 568 HB1 PHE 568 61.330 19.576 12.094 983 HD1 PHE 568 HD1 PHE 568 58.262 18.918 13.959 984 HD2 PHE 568 HD2 PHE 568 62.425 19.916 14.320 985 HE1 PHE 568 HE1 PHE 568 58.213 18.259 16.350 986 HE2 PHE 568 HE2 PHE 568 62.375 19.257 16.710 987 HZ PHE 568 HZ PHE 568 60.270 18.429 17.725 988 H HIS 569 HN HIS 569 62.216 22.858 12.584 989 HA HIS 569 HA HIS 569 62.524 23.869 9.963 990 HB2 HIS 569 HB2 HIS 569 64.429 23.245 12.187 991 HB3 HIS 569 HB1 HIS 569 65.087 23.697 10.627 992 HD2 HIS 569 HD2 HIS 569 63.650 26.310 9.753 993 HE1 HIS 569 HE1 HIS 569 63.945 27.649 13.738 994 HA PRO 570 HA PRO 570 62.952 19.676 8.179 995 HB2 PRO 570 HB2 PRO 570 64.175 21.190 5.915 996 HB3 PRO 570 HB1 PRO 570 62.853 20.013 5.894 997 HG2 PRO 570 HG2 PRO 570 62.452 22.708 5.623 998 HG3 PRO 570 HG1 PRO 570 61.247 21.613 6.309 999 HD2 PRO 570 HD2 PRO 570 62.893 23.655 7.684 1000 HD3 PRO 570 HD1 PRO 570 61.390 22.872 8.223 1001 H GLU 571 HN GLU 571 65.309 22.048 8.870 1002 HA GLU 571 HA GLU 571 67.609 20.343 8.195 1003 HB2 GLU 571 HB2 GLU 571 67.792 22.955 9.678 1004 HB3 GLU 571 HB1 GLU 571 68.931 22.240 8.539 1005 HG2 GLU 571 HG2 GLU 571 67.159 22.518 6.753 1006 HG3 GLU 571 HG1 GLU 571 66.240 23.461 7.932 1007 H HIS 572 HN HIS 572 66.320 21.979 11.077 1008 HA HIS 572 HA HIS 572 68.108 20.764 12.928 1009 HB2 HIS 572 HB2 HIS 572 65.268 21.653 13.525 1010 HB3 HIS 572 HB1 HIS 572 66.610 21.550 14.666 1011 HD2 HIS 572 HD2 HIS 572 68.680 22.893 12.194 1012 HE1 HIS 572 HE1 HIS 572 66.506 26.379 13.113 1013 H PHE 573 HN PHE 573 65.806 19.264 11.050 1014 HA PHE 573 HA PHE 573 65.779 16.896 12.907 1015 HB2 PHE 573 HB2 PHE 573 63.524 18.119 12.612 1016 HB3 PHE 573 HB1 PHE 573 63.566 17.523 10.959 1017 HD1 PHE 573 HD1 PHE 573 63.701 16.427 14.518 1018 HD2 PHE 573 HD2 PHE 573 62.982 15.277 10.442 1019 HE1 PHE 573 HE1 PHE 573 62.880 14.216 15.286 1020 HE2 PHE 573 HE2 PHE 573 62.160 13.067 11.210 1021 HZ PHE 573 HZ PHE 573 62.109 12.536 13.632 1022 H VAL 574 HN VAL 574 67.815 17.083 11.276 1023 HA VAL 574 HA VAL 574 67.233 15.889 8.652 1024 HB VAL 574 HB VAL 574 69.712 16.103 8.339 1025 HG11 VAL 574 HG11 VAL 574 69.370 18.833 8.831 1026 HG12 VAL 574 HG12 VAL 574 67.721 18.230 8.641 1027 HG13 VAL 574 HG13 VAL 574 68.905 17.983 7.373 1028 HG21 VAL 574 HG21 VAL 574 70.304 15.963 10.746 1029 HG22 VAL 574 HG22 VAL 574 69.514 17.521 11.026 1030 HG23 VAL 574 HG23 VAL 574 70.951 17.430 10.011 1031 H CYS 575 HN CYS 575 68.983 14.164 7.994 1032 HA CYS 575 HA CYS 575 68.758 11.862 9.816 1033 HB2 CYS 575 HB2 CYS 575 68.699 10.879 7.765 1034 HB3 CYS 575 HB1 CYS 575 69.340 12.326 6.998 1035 H ALA 576 HN ALA 576 70.571 10.938 10.991 1036 HA ALA 576 HA ALA 576 72.871 12.864 11.127 1037 HB1 ALA 576 HB1 ALA 576 72.694 10.293 12.708 1038 HB2 ALA 576 HB2 ALA 576 71.684 11.669 13.154 1039 HB3 ALA 576 HB3 ALA 576 73.442 11.828 13.156 1040 H PHE 577 HN PHE 577 73.306 12.222 8.856 1041 HA PHE 577 HA PHE 577 75.618 10.540 8.770 1042 HB2 PHE 577 HB2 PHE 577 73.335 9.135 8.110 1043 HB3 PHE 577 HB1 PHE 577 73.829 9.722 6.538 1044 HD1 PHE 577 HD1 PHE 577 74.939 7.984 5.370 1045 HD2 PHE 577 HD2 PHE 577 75.804 8.501 9.560 1046 HE1 PHE 577 HE1 PHE 577 76.672 6.235 5.240 1047 HE2 PHE 577 HE2 PHE 577 77.525 6.746 9.409 1048 HZ PHE 577 HZ PHE 577 77.959 5.608 7.259 1049 H CYS 578 HN CYS 578 73.196 12.433 7.313 1050 HA CYS 578 HA CYS 578 75.220 14.074 5.890 1051 HB2 CYS 578 HB2 CYS 578 73.761 14.213 3.928 1052 HB3 CYS 578 HB1 CYS 578 74.137 12.533 4.233 1053 H LEU 579 HN LEU 579 74.899 15.352 7.776 1054 HA LEU 579 HA LEU 579 72.545 16.179 8.929 1055 HB2 LEU 579 HB2 LEU 579 74.107 18.450 9.221 1056 HB3 LEU 579 HB1 LEU 579 74.192 17.027 10.238 1057 HG LEU 579 HG LEU 579 76.388 17.901 9.285 1058 HD11 LEU 579 HD11 LEU 579 75.464 15.177 9.638 1059 HD12 LEU 579 HD12 LEU 579 77.041 15.880 9.988 1060 HD13 LEU 579 HD13 LEU 579 76.708 15.232 8.387 1061 HD21 LEU 579 HD21 LEU 579 75.086 17.872 6.853 1062 HD22 LEU 579 HD22 LEU 579 76.046 16.396 6.769 1063 HD23 LEU 579 HD23 LEU 579 76.828 17.940 7.075 1064 H LYS 580 HN LYS 580 72.673 16.594 5.698 1065 HA LYS 580 HA LYS 580 71.853 19.463 5.762 1066 HB2 LYS 580 HB2 LYS 580 72.360 19.571 3.524 1067 HB3 LYS 580 HB1 LYS 580 73.389 18.223 3.973 1068 HG2 LYS 580 HG2 LYS 580 70.593 17.882 2.799 1069 HG3 LYS 580 HG1 LYS 580 72.070 17.876 1.855 1070 HD2 LYS 580 HD2 LYS 580 72.809 15.862 2.725 1071 HD3 LYS 580 HD1 LYS 580 71.882 16.028 4.216 1072 HE2 LYS 580 HE2 LYS 580 71.055 14.310 2.465 1073 HE3 LYS 580 HE1 LYS 580 69.872 15.406 3.176 1074 HZ1 LYS 580 HZ1 LYS 580 69.413 15.644 0.967 1075 HZ2 LYS 580 HZ2 LYS 580 71.023 15.405 0.479 1076 HZ3 LYS 580 HZ3 LYS 580 70.549 16.888 1.161 1077 H GLN 581 HN GLN 581 70.261 16.283 4.956 1078 HA GLN 581 HA GLN 581 67.765 17.624 5.585 1079 HB2 GLN 581 HB2 GLN 581 68.278 18.347 3.249 1080 HB3 GLN 581 HB1 GLN 581 67.966 16.686 2.748 1081 HG2 GLN 581 HG2 GLN 581 65.885 17.821 2.501 1082 HG3 GLN 581 HG1 GLN 581 65.726 16.920 3.997 1083 HE21 GLN 581 HE21 GLN 581 66.161 18.187 6.051 1084 HE22 GLN 581 HE22 GLN 581 65.824 19.842 6.051 1085 H LEU 582 HN LEU 582 66.119 16.430 6.108 1086 HA LEU 582 HA LEU 582 66.077 13.541 5.416 1087 HB2 LEU 582 HB2 LEU 582 66.954 13.959 7.751 1088 HB3 LEU 582 HB1 LEU 582 65.378 14.612 8.154 1089 HG LEU 582 HG LEU 582 64.347 12.441 7.608 1090 HD11 LEU 582 HD11 LEU 582 66.295 10.548 7.428 1091 HD12 LEU 582 HD12 LEU 582 67.090 11.885 6.601 1092 HD13 LEU 582 HD13 LEU 582 65.545 11.290 6.015 1093 HD21 LEU 582 HD21 LEU 582 64.863 12.577 9.883 1094 HD22 LEU 582 HD22 LEU 582 66.603 12.579 9.605 1095 HD23 LEU 582 HD23 LEU 582 65.682 11.087 9.419 1096 H ASN 583 HN ASN 583 63.770 12.678 5.933 1097 HA ASN 583 HA ASN 583 61.683 14.802 5.766 1098 HB2 ASN 583 HB2 ASN 583 62.266 12.714 3.657 1099 HB3 ASN 583 HB1 ASN 583 60.647 13.379 3.842 1100 HD21 ASN 583 HD21 ASN 583 61.932 13.866 1.459 1101 HD22 ASN 583 HD22 ASN 583 62.420 15.485 1.374 1102 H LYS 584 HN LYS 584 59.981 14.237 7.024 1103 HA LYS 584 HA LYS 584 59.920 11.961 8.663 1104 HB2 LYS 584 HB2 LYS 584 57.508 12.493 8.955 1105 HB3 LYS 584 HB1 LYS 584 58.541 13.912 9.108 1106 HG2 LYS 584 HG2 LYS 584 57.569 14.939 7.304 1107 HG3 LYS 584 HG1 LYS 584 57.735 13.500 6.299 1108 HD2 LYS 584 HD2 LYS 584 55.392 13.973 6.486 1109 HD3 LYS 584 HD1 LYS 584 55.718 12.558 7.482 1110 HE2 LYS 584 HE2 LYS 584 54.283 14.103 8.719 1111 HE3 LYS 584 HE1 LYS 584 55.869 14.041 9.482 1112 HZ1 LYS 584 HZ1 LYS 584 54.545 16.237 8.218 1113 HZ2 LYS 584 HZ2 LYS 584 56.113 15.999 7.608 1114 HZ3 LYS 584 HZ3 LYS 584 55.873 16.240 9.273 1115 H GLY 585 HN GLY 585 59.217 12.255 5.333 1116 HA2 GLY 585 HA2 GLY 585 57.489 9.865 5.235 1117 HA3 GLY 585 HA1 GLY 585 57.959 10.876 3.868 1118 H THR 586 HN THR 586 60.757 10.734 5.048 1119 HA THR 586 HA THR 586 61.491 7.953 4.248 1120 HB THR 586 HB THR 586 63.088 8.684 2.694 1121 HG1 THR 586 HG1 THR 586 64.059 10.234 4.022 1122 HG21 THR 586 HG21 THR 586 60.948 10.825 2.512 1123 HG22 THR 586 HG22 THR 586 60.721 9.158 1.981 1124 HG23 THR 586 HG23 THR 586 61.919 10.181 1.185 1125 H PHE 587 HN PHE 587 61.264 9.419 6.835 1126 HA PHE 587 HA PHE 587 64.103 9.741 7.618 1127 HB2 PHE 587 HB2 PHE 587 63.376 10.719 9.599 1128 HB3 PHE 587 HB1 PHE 587 62.141 11.217 8.459 1129 HD1 PHE 587 HD1 PHE 587 62.517 10.159 11.698 1130 HD2 PHE 587 HD2 PHE 587 60.243 9.157 8.193 1131 HE1 PHE 587 HE1 PHE 587 60.775 9.116 13.120 1132 HE2 PHE 587 HE2 PHE 587 58.506 8.116 9.616 1133 HZ PHE 587 HZ PHE 587 58.770 8.095 12.080 1134 H LYS 588 HN LYS 588 65.137 7.938 7.823 1135 HA LYS 588 HA LYS 588 63.937 5.547 9.109 1136 HB2 LYS 588 HB2 LYS 588 65.602 5.933 6.872 1137 HB3 LYS 588 HB1 LYS 588 66.699 5.364 8.090 1138 HG2 LYS 588 HG2 LYS 588 65.737 3.547 6.670 1139 HG3 LYS 588 HG1 LYS 588 65.489 3.322 8.389 1140 HD2 LYS 588 HD2 LYS 588 63.528 2.869 6.691 1141 HD3 LYS 588 HD1 LYS 588 63.190 3.629 8.225 1142 HE2 LYS 588 HE2 LYS 588 62.818 5.730 7.235 1143 HE3 LYS 588 HE1 LYS 588 63.793 5.339 5.838 1144 HZ1 LYS 588 HZ1 LYS 588 61.827 3.475 5.792 1145 HZ2 LYS 588 HZ2 LYS 588 61.889 4.880 4.838 1146 HZ3 LYS 588 HZ3 LYS 588 61.019 4.878 6.297 1147 H GLU 589 HN GLU 589 65.488 4.407 10.693 1148 HA GLU 589 HA GLU 589 67.338 6.249 12.079 1149 HB2 GLU 589 HB2 GLU 589 65.431 6.953 13.237 1150 HB3 GLU 589 HB1 GLU 589 64.707 5.350 13.243 1151 HG2 GLU 589 HG2 GLU 589 66.229 4.582 14.925 1152 HG3 GLU 589 HG1 GLU 589 67.265 6.003 14.747 1153 H GLN 590 HN GLN 590 68.565 5.254 13.659 1154 HA GLN 590 HA GLN 590 68.463 2.390 14.126 1155 HB2 GLN 590 HB2 GLN 590 69.690 2.820 11.835 1156 HB3 GLN 590 HB1 GLN 590 70.999 3.411 12.841 1157 HG2 GLN 590 HG2 GLN 590 71.654 1.211 12.867 1158 HG3 GLN 590 HG1 GLN 590 70.441 1.068 14.136 1159 HE21 GLN 590 HE21 GLN 590 71.439 -0.639 11.605 1160 HE22 GLN 590 HE22 GLN 590 69.972 -1.222 10.981 1161 H ASN 591 HN ASN 591 69.735 1.928 15.990 1162 HA ASN 591 HA ASN 591 70.565 2.528 18.085 1163 HB2 ASN 591 HB2 ASN 591 72.622 4.317 17.579 1164 HB3 ASN 591 HB1 ASN 591 72.770 2.573 17.497 1165 HD21 ASN 591 HD21 ASN 591 71.752 1.783 15.202 1166 HD22 ASN 591 HD22 ASN 591 72.381 2.610 13.866 1167 H ASP 592 HN ASP 592 68.424 4.307 16.843 1168 HA ASP 592 HA ASP 592 67.140 6.046 17.784 1169 HB2 ASP 592 HB2 ASP 592 69.456 6.938 19.481 1170 HB3 ASP 592 HB1 ASP 592 67.729 7.056 19.807 1171 H LYS 593 HN LYS 593 69.973 6.324 16.089 1172 HA LYS 593 HA LYS 593 70.040 9.260 15.996 1173 HB2 LYS 593 HB2 LYS 593 71.531 7.300 14.281 1174 HB3 LYS 593 HB1 LYS 593 71.950 8.971 14.615 1175 HG2 LYS 593 HG2 LYS 593 72.076 8.236 17.087 1176 HG3 LYS 593 HG1 LYS 593 72.099 6.590 16.454 1177 HD2 LYS 593 HD2 LYS 593 74.042 7.210 15.009 1178 HD3 LYS 593 HD1 LYS 593 74.065 8.800 15.771 1179 HE2 LYS 593 HE2 LYS 593 74.217 6.265 17.411 1180 HE3 LYS 593 HE1 LYS 593 75.666 6.999 16.716 1181 HZ1 LYS 593 HZ1 LYS 593 73.923 8.855 18.075 1182 HZ2 LYS 593 HZ2 LYS 593 75.609 8.671 18.175 1183 HZ3 LYS 593 HZ3 LYS 593 74.586 7.669 19.089 1184 HA PRO 594 HA PRO 594 66.875 9.152 12.695 1185 HB2 PRO 594 HB2 PRO 594 68.263 11.670 11.899 1186 HB3 PRO 594 HB1 PRO 594 66.544 11.380 12.149 1187 HG2 PRO 594 HG2 PRO 594 68.078 12.756 13.915 1188 HG3 PRO 594 HG1 PRO 594 66.696 11.776 14.427 1189 HD2 PRO 594 HD2 PRO 594 69.600 11.234 14.790 1190 HD3 PRO 594 HD1 PRO 594 68.209 10.587 15.694 1191 H TYR 595 HN TYR 595 67.009 9.074 10.229 1192 HA TYR 595 HA TYR 595 69.639 9.002 8.979 1193 HB2 TYR 595 HB2 TYR 595 68.359 6.493 10.001 1194 HB3 TYR 595 HB1 TYR 595 69.202 6.406 8.472 1195 HD1 TYR 595 HD1 TYR 595 71.559 7.803 8.585 1196 HD2 TYR 595 HD2 TYR 595 69.628 5.778 11.833 1197 HE1 TYR 595 HE1 TYR 595 73.729 7.550 9.734 1198 HE2 TYR 595 HE2 TYR 595 71.820 5.524 12.968 1199 HH TYR 595 HH TYR 595 74.822 6.640 11.436 1200 H CYS 596 HN CYS 596 69.428 8.978 6.717 1201 HA CYS 596 HA CYS 596 66.682 8.921 5.612 1202 HB2 CYS 596 HB2 CYS 596 69.242 8.868 3.983 1203 HB3 CYS 596 HB1 CYS 596 67.647 9.403 3.483 1204 H GLN 597 HN GLN 597 66.061 7.174 4.097 1205 HA GLN 597 HA GLN 597 66.969 4.629 5.018 1206 HB2 GLN 597 HB2 GLN 597 64.849 4.519 4.023 1207 HB3 GLN 597 HB1 GLN 597 65.296 5.597 2.729 1208 HG2 GLN 597 HG2 GLN 597 65.163 3.564 1.598 1209 HG3 GLN 597 HG1 GLN 597 66.864 3.605 2.005 1210 HE21 GLN 597 HE21 GLN 597 66.305 3.080 4.902 1211 HE22 GLN 597 HE22 GLN 597 65.886 1.459 4.998 1212 H ASN 598 HN ASN 598 67.560 6.333 1.961 1213 HA ASN 598 HA ASN 598 69.446 4.731 0.782 1214 HB2 ASN 598 HB2 ASN 598 69.963 7.686 0.856 1215 HB3 ASN 598 HB1 ASN 598 70.044 6.577 -0.506 1216 HD21 ASN 598 HD21 ASN 598 67.664 5.370 -0.619 1217 HD22 ASN 598 HD22 ASN 598 66.395 6.482 -0.754 1218 H CYS 599 HN CYS 599 69.891 6.871 3.529 1219 HA CYS 599 HA CYS 599 72.778 6.554 3.603 1220 HB2 CYS 599 HB2 CYS 599 70.748 7.686 5.541 1221 HB3 CYS 599 HB1 CYS 599 72.470 7.620 5.897 1222 H PHE 600 HN PHE 600 70.234 5.606 5.926 1223 HA PHE 600 HA PHE 600 71.823 3.883 7.479 1224 HB2 PHE 600 HB2 PHE 600 69.880 4.217 8.622 1225 HB3 PHE 600 HB1 PHE 600 68.977 4.521 7.147 1226 HD1 PHE 600 HD1 PHE 600 67.971 2.645 5.874 1227 HD2 PHE 600 HD2 PHE 600 69.922 2.026 9.649 1228 HE1 PHE 600 HE1 PHE 600 66.906 0.414 6.058 1229 HE2 PHE 600 HE2 PHE 600 68.852 -0.205 9.831 1230 HZ PHE 600 HZ PHE 600 67.346 -1.011 8.037 1231 H LEU 601 HN LEU 601 69.691 2.965 4.725 1232 HA LEU 601 HA LEU 601 70.103 0.219 4.993 1233 HB2 LEU 601 HB2 LEU 601 68.655 0.234 3.249 1234 HB3 LEU 601 HB1 LEU 601 68.788 1.988 3.207 1235 HG LEU 601 HG LEU 601 70.801 0.252 1.783 1236 HD11 LEU 601 HD11 LEU 601 69.409 0.518 -0.258 1237 HD12 LEU 601 HD12 LEU 601 68.113 1.116 0.774 1238 HD13 LEU 601 HD13 LEU 601 68.699 -0.536 0.963 1239 HD21 LEU 601 HD21 LEU 601 70.065 2.659 0.388 1240 HD22 LEU 601 HD22 LEU 601 71.625 2.226 1.053 1241 HD23 LEU 601 HD23 LEU 601 70.452 3.075 2.057 1242 H LYS 602 HN LYS 602 71.926 2.560 3.011 1243 HA LYS 602 HA LYS 602 73.825 0.902 1.884 1244 HB2 LYS 602 HB2 LYS 602 73.617 3.464 1.746 1245 HB3 LYS 602 HB1 LYS 602 74.614 3.499 3.194 1246 HG2 LYS 602 HG2 LYS 602 76.443 2.487 2.090 1247 HG3 LYS 602 HG1 LYS 602 75.457 1.982 0.721 1248 HD2 LYS 602 HD2 LYS 602 75.188 4.221 -0.056 1249 HD3 LYS 602 HD1 LYS 602 75.845 4.890 1.430 1250 HE2 LYS 602 HE2 LYS 602 77.924 3.240 0.514 1251 HE3 LYS 602 HE1 LYS 602 77.264 3.939 -0.963 1252 HZ1 LYS 602 HZ1 LYS 602 78.892 5.418 -0.149 1253 HZ2 LYS 602 HZ2 LYS 602 78.254 5.383 1.426 1254 HZ3 LYS 602 HZ3 LYS 602 77.389 6.136 0.171 1255 H LEU 603 HN LEU 603 73.465 1.674 5.257 1256 HA LEU 603 HA LEU 603 76.114 0.502 5.907 1257 HB2 LEU 603 HB2 LEU 603 74.344 1.370 8.121 1258 HB3 LEU 603 HB1 LEU 603 76.053 1.699 7.853 1259 HG LEU 603 HG LEU 603 73.749 3.018 6.390 1260 HD11 LEU 603 HD11 LEU 603 75.691 4.271 8.313 1261 HD12 LEU 603 HD12 LEU 603 74.146 3.598 8.835 1262 HD13 LEU 603 HD13 LEU 603 74.183 4.939 7.690 1263 HD21 LEU 603 HD21 LEU 603 76.056 2.734 5.171 1264 HD22 LEU 603 HD22 LEU 603 76.646 3.898 6.346 1265 HD23 LEU 603 HD23 LEU 603 75.347 4.340 5.244 1266 H PHE 604 HN PHE 604 72.743 0.015 7.053 1267 HA PHE 604 HA PHE 604 73.529 -2.726 7.923 1268 HB2 PHE 604 HB2 PHE 604 71.222 -0.885 8.553 1269 HB3 PHE 604 HB1 PHE 604 71.085 -2.614 8.873 1270 HD1 PHE 604 HD1 PHE 604 72.917 0.490 9.736 1271 HD2 PHE 604 HD2 PHE 604 72.397 -3.688 10.598 1272 HE1 PHE 604 HE1 PHE 604 74.222 0.757 11.825 1273 HE2 PHE 604 HE2 PHE 604 73.702 -3.417 12.688 1274 HZ PHE 604 HZ PHE 604 74.615 -1.195 13.301 1275 H CYS 605 HN CYS 605 72.969 -1.825 5.040 1276 HA CYS 605 HA CYS 605 71.356 -4.192 4.358 1277 HB2 CYS 605 HB2 CYS 605 70.487 -1.448 3.401 1278 HB3 CYS 605 HB1 CYS 605 69.723 -2.988 3.016 1279 HG CYS 605 HG CYS 605 69.808 -1.950 5.966
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