NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
586530 | 2muy | 25235 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 23 HT1 MET 23 57.983 -19.596 -0.095 2 H2 MET 23 HT2 MET 23 58.588 -18.820 -1.481 3 H3 MET 23 HT3 MET 23 56.941 -19.227 -1.382 4 HA MET 23 HA MET 23 56.890 -16.987 -0.913 5 HB2 MET 23 HB2 MET 23 57.256 -18.435 1.725 6 HB3 MET 23 HB3 MET 23 56.548 -16.828 1.554 7 HG2 MET 23 HG2 MET 23 54.840 -17.824 -0.004 8 HG3 MET 23 HG3 MET 23 55.483 -19.417 0.395 9 HE1 MET 23 HE1 MET 23 55.994 -20.119 2.616 10 HE2 MET 23 HE2 MET 23 54.819 -20.085 3.928 11 HE3 MET 23 HE3 MET 23 56.068 -18.846 3.839 12 H ALA 24 H ALA 24 58.102 -15.187 -0.795 13 HA ALA 24 HA ALA 24 60.898 -15.460 0.098 14 HB1 ALA 24 HB1 ALA 24 59.767 -13.114 -1.410 15 HB2 ALA 24 HB2 ALA 24 60.236 -14.595 -2.245 16 HB3 ALA 24 HB3 ALA 24 61.436 -13.678 -1.335 17 H SER 25 H SER 25 61.775 -14.117 1.646 18 HA SER 25 HA SER 25 59.850 -12.419 3.134 19 HB2 SER 25 HB2 SER 25 61.094 -12.928 5.144 20 HB3 SER 25 HB3 SER 25 60.654 -14.438 4.355 21 HG SER 25 HG SER 25 62.705 -14.780 4.265 22 H GLU 26 H GLU 26 60.352 -10.353 3.513 23 HA GLU 26 HA GLU 26 62.487 -9.091 2.125 24 HB2 GLU 26 HB2 GLU 26 60.675 -8.070 4.321 25 HB3 GLU 26 HB3 GLU 26 61.764 -7.062 3.366 26 HG2 GLU 26 HG2 GLU 26 60.613 -7.829 1.298 27 HG3 GLU 26 HG3 GLU 26 59.489 -8.749 2.288 28 H SER 27 H SER 27 62.128 -10.255 5.428 29 HA SER 27 HA SER 27 64.170 -8.815 6.678 30 HB2 SER 27 HB2 SER 27 64.150 -10.552 8.363 31 HB3 SER 27 HB3 SER 27 62.500 -10.247 7.831 32 HG SER 27 HG SER 27 63.992 -12.461 7.595 33 H ASN 28 H ASN 28 64.415 -11.501 4.441 34 HA ASN 28 HA ASN 28 66.901 -12.554 5.150 35 HB2 ASN 28 HB2 ASN 28 65.639 -12.243 2.423 36 HB3 ASN 28 HB3 ASN 28 67.083 -13.200 2.738 37 HD21 ASN 28 HD21 ASN 28 64.712 -14.421 1.739 38 HD22 ASN 28 HD22 ASN 28 64.074 -15.433 2.943 39 H GLY 29 H GLY 29 66.158 -9.551 3.483 40 HA2 GLY 29 HA2 GLY 29 68.718 -9.100 2.345 41 HA3 GLY 29 HA3 GLY 29 67.502 -7.868 2.667 42 H ARG 30 H ARG 30 70.559 -8.342 3.195 43 HA ARG 30 HA ARG 30 70.984 -8.246 5.993 44 HB2 ARG 30 HB2 ARG 30 72.627 -7.061 3.740 45 HB3 ARG 30 HB3 ARG 30 73.178 -7.246 5.405 46 HG2 ARG 30 HG2 ARG 30 72.779 -9.700 5.231 47 HG3 ARG 30 HG3 ARG 30 72.346 -9.482 3.534 48 HD2 ARG 30 HD2 ARG 30 74.606 -8.423 3.178 49 HD3 ARG 30 HD3 ARG 30 75.022 -8.896 4.823 50 HE ARG 30 HE ARG 30 74.088 -11.177 3.490 51 HH11 ARG 30 HH11 ARG 30 76.828 -8.992 3.285 52 HH12 ARG 30 HH12 ARG 30 77.876 -10.206 2.632 53 HH21 ARG 30 HH21 ARG 30 75.484 -12.699 2.647 54 HH22 ARG 30 HH22 ARG 30 77.123 -12.278 2.276 55 H LYS 31 H LYS 31 71.208 -6.494 7.425 56 HA LYS 31 HA LYS 31 69.786 -4.068 6.676 57 HB2 LYS 31 HB2 LYS 31 71.185 -4.869 9.243 58 HB3 LYS 31 HB3 LYS 31 70.254 -3.386 9.027 59 HG2 LYS 31 HG2 LYS 31 68.266 -4.764 8.422 60 HG3 LYS 31 HG3 LYS 31 69.202 -6.217 8.771 61 HD2 LYS 31 HD2 LYS 31 69.576 -5.370 11.092 62 HD3 LYS 31 HD3 LYS 31 68.514 -4.008 10.730 63 HE2 LYS 31 HE2 LYS 31 67.596 -6.852 10.323 64 HE3 LYS 31 HE3 LYS 31 67.458 -6.061 11.894 65 HZ1 LYS 31 HZ1 LYS 31 65.454 -5.826 10.507 66 HZ2 LYS 31 HZ2 LYS 31 66.367 -4.969 9.358 67 HZ3 LYS 31 HZ3 LYS 31 66.145 -4.331 10.917 68 H VAL 32 H VAL 32 70.693 -2.147 6.117 69 HA VAL 32 HA VAL 32 73.615 -1.838 6.456 70 HB VAL 32 HB VAL 32 72.071 -1.240 3.921 71 HG11 VAL 32 HG11 VAL 32 74.280 -0.743 2.974 72 HG12 VAL 32 HG12 VAL 32 75.040 -1.082 4.529 73 HG13 VAL 32 HG13 VAL 32 73.969 0.307 4.356 74 HG21 VAL 32 HG21 VAL 32 72.343 -3.612 4.086 75 HG22 VAL 32 HG22 VAL 32 73.983 -3.450 4.713 76 HG23 VAL 32 HG23 VAL 32 73.641 -3.053 3.030 77 H ASP 33 H ASP 33 74.244 0.056 7.192 78 HA ASP 33 HA ASP 33 72.389 2.156 7.814 79 HB2 ASP 33 HB2 ASP 33 75.416 2.061 7.925 80 HB3 ASP 33 HB3 ASP 33 74.419 3.333 8.628 81 H TYR 34 H TYR 34 72.299 4.257 6.913 82 HA TYR 34 HA TYR 34 72.458 4.471 4.144 83 HB2 TYR 34 HB2 TYR 34 71.111 5.972 5.479 84 HB3 TYR 34 HB3 TYR 34 72.535 6.618 6.265 85 HD1 TYR 34 HD1 TYR 34 72.085 5.926 2.623 86 HD2 TYR 34 HD2 TYR 34 72.393 8.908 5.698 87 HE1 TYR 34 HE1 TYR 34 72.238 7.696 0.895 88 HE2 TYR 34 HE2 TYR 34 72.533 10.678 3.966 89 HH TYR 34 HH TYR 34 72.521 11.082 1.749 90 H SER 35 H SER 35 74.893 5.302 6.590 91 HA SER 35 HA SER 35 76.675 6.687 4.915 92 HB2 SER 35 HB2 SER 35 78.354 6.240 6.600 93 HB3 SER 35 HB3 SER 35 76.822 6.563 7.406 94 HG SER 35 HG SER 35 76.611 4.377 7.684 95 H THR 36 H THR 36 76.325 3.226 5.597 96 HA THR 36 HA THR 36 78.675 2.407 4.205 97 HB THR 36 HB THR 36 76.166 0.803 4.752 98 HG1 THR 36 HG1 THR 36 76.887 0.691 6.697 99 HG21 THR 36 HG21 THR 36 77.631 -1.124 4.561 100 HG22 THR 36 HG22 THR 36 79.036 -0.079 4.345 101 HG23 THR 36 HG23 THR 36 77.790 -0.150 3.099 102 H PHE 37 H PHE 37 75.273 2.740 3.255 103 HA PHE 37 HA PHE 37 75.460 1.655 0.690 104 HB2 PHE 37 HB2 PHE 37 73.328 2.206 1.694 105 HB3 PHE 37 HB3 PHE 37 73.736 3.908 1.720 106 HD1 PHE 37 HD2 PHE 37 72.674 1.073 -0.383 107 HD2 PHE 37 HD1 PHE 37 73.654 5.253 -0.307 108 HE1 PHE 37 HE2 PHE 37 71.672 1.354 -2.636 109 HE2 PHE 37 HE1 PHE 37 72.653 5.532 -2.557 110 HZ PHE 37 HZ PHE 37 71.660 3.581 -3.722 111 H LEU 38 H LEU 38 76.087 4.999 1.774 112 HA LEU 38 HA LEU 38 76.464 6.107 -0.778 113 HB2 LEU 38 HB2 LEU 38 77.730 6.906 1.854 114 HB3 LEU 38 HB3 LEU 38 77.698 7.900 0.396 115 HG LEU 38 HG LEU 38 75.213 6.841 1.773 116 HD11 LEU 38 HD11 LEU 38 75.008 9.397 2.290 117 HD12 LEU 38 HD12 LEU 38 76.758 9.404 2.074 118 HD13 LEU 38 HD13 LEU 38 76.026 8.395 3.323 119 HD21 LEU 38 HD21 LEU 38 74.233 8.773 0.358 120 HD22 LEU 38 HD22 LEU 38 74.697 7.301 -0.493 121 HD23 LEU 38 HD23 LEU 38 75.752 8.713 -0.535 122 H GLN 39 H GLN 39 78.764 4.544 1.426 123 HA GLN 39 HA GLN 39 81.089 5.048 -0.097 124 HB2 GLN 39 HB2 GLN 39 81.078 4.188 2.248 125 HB3 GLN 39 HB3 GLN 39 80.538 2.625 1.633 126 HG2 GLN 39 HG2 GLN 39 82.569 2.579 0.155 127 HG3 GLN 39 HG3 GLN 39 83.132 4.040 0.966 128 HE21 GLN 39 HE21 GLN 39 84.656 3.515 2.529 129 HE22 GLN 39 HE22 GLN 39 84.596 2.144 3.529 130 H GLU 40 H GLU 40 78.789 2.343 -0.182 131 HA GLU 40 HA GLU 40 80.165 0.784 -2.074 132 HB2 GLU 40 HB2 GLU 40 77.201 0.963 -1.502 133 HB3 GLU 40 HB3 GLU 40 77.964 -0.297 -2.475 134 HG2 GLU 40 HG2 GLU 40 79.411 -0.877 -0.533 135 HG3 GLU 40 HG3 GLU 40 78.553 0.315 0.434 136 H VAL 41 H VAL 41 77.730 3.329 -2.494 137 HA VAL 41 HA VAL 41 77.418 3.172 -5.261 138 HB VAL 41 HB VAL 41 77.368 5.628 -3.486 139 HG11 VAL 41 HG11 VAL 41 76.362 5.123 -6.295 140 HG12 VAL 41 HG12 VAL 41 77.495 6.364 -5.764 141 HG13 VAL 41 HG13 VAL 41 75.796 6.467 -5.300 142 HG21 VAL 41 HG21 VAL 41 74.978 4.110 -4.505 143 HG22 VAL 41 HG22 VAL 41 75.099 5.178 -3.109 144 HG23 VAL 41 HG23 VAL 41 75.807 3.567 -3.048 145 H ASN 42 H ASN 42 79.768 5.070 -3.359 146 HA ASN 42 HA ASN 42 81.132 6.256 -5.499 147 HB2 ASN 42 HB2 ASN 42 82.156 5.397 -2.786 148 HB3 ASN 42 HB3 ASN 42 83.029 6.449 -3.900 149 HD21 ASN 42 HD21 ASN 42 81.176 6.662 -1.189 150 HD22 ASN 42 HD22 ASN 42 80.428 8.161 -1.463 151 H ASN 43 H ASN 43 81.404 3.033 -4.132 152 HA ASN 43 HA ASN 43 83.772 2.395 -5.697 153 HB2 ASN 43 HB2 ASN 43 82.050 0.711 -3.874 154 HB3 ASN 43 HB3 ASN 43 83.515 0.141 -4.668 155 HD21 ASN 43 HD21 ASN 43 83.219 0.301 -1.783 156 HD22 ASN 43 HD22 ASN 43 84.334 1.451 -1.220 157 H ASP 44 H ASP 44 80.757 2.777 -6.774 158 HA ASP 44 HA ASP 44 79.467 1.888 -8.443 159 HB2 ASP 44 HB2 ASP 44 81.585 2.507 -9.628 160 HB3 ASP 44 HB3 ASP 44 82.119 0.839 -9.442 161 H GLN 45 H GLN 45 79.761 0.191 -6.095 162 HA GLN 45 HA GLN 45 79.764 -2.513 -7.203 163 HB2 GLN 45 HB2 GLN 45 79.368 -1.529 -4.371 164 HB3 GLN 45 HB3 GLN 45 79.423 -3.223 -4.855 165 HG2 GLN 45 HG2 GLN 45 81.647 -1.208 -5.283 166 HG3 GLN 45 HG3 GLN 45 81.622 -2.445 -4.029 167 HE21 GLN 45 HE21 GLN 45 82.965 -1.852 -6.984 168 HE22 GLN 45 HE22 GLN 45 83.116 -3.442 -7.558 169 H VAL 46 H VAL 46 77.443 -0.052 -6.427 170 HA VAL 46 HA VAL 46 75.250 -1.901 -6.011 171 HB VAL 46 HB VAL 46 75.191 1.097 -6.453 172 HG11 VAL 46 HG11 VAL 46 72.983 0.879 -5.273 173 HG12 VAL 46 HG12 VAL 46 73.149 -0.873 -5.386 174 HG13 VAL 46 HG13 VAL 46 73.017 0.097 -6.853 175 HG21 VAL 46 HG21 VAL 46 76.534 0.338 -4.460 176 HG22 VAL 46 HG22 VAL 46 75.085 -0.464 -3.855 177 HG23 VAL 46 HG23 VAL 46 75.111 1.290 -4.036 178 H ARG 47 H ARG 47 73.683 -2.469 -7.442 179 HA ARG 47 HA ARG 47 74.207 -1.857 -10.277 180 HB2 ARG 47 HB2 ARG 47 74.148 -4.237 -9.524 181 HB3 ARG 47 HB3 ARG 47 72.474 -4.004 -9.025 182 HG2 ARG 47 HG2 ARG 47 71.881 -3.390 -11.353 183 HG3 ARG 47 HG3 ARG 47 73.551 -3.688 -11.842 184 HD2 ARG 47 HD2 ARG 47 72.321 -5.695 -12.333 185 HD3 ARG 47 HD3 ARG 47 73.302 -6.029 -10.909 186 HE ARG 47 HE ARG 47 71.362 -6.201 -9.652 187 HH11 ARG 47 HH11 ARG 47 70.553 -4.797 -12.767 188 HH12 ARG 47 HH12 ARG 47 68.848 -4.922 -12.492 189 HH21 ARG 47 HH21 ARG 47 69.156 -6.335 -9.355 190 HH22 ARG 47 HH22 ARG 47 68.068 -5.782 -10.583 191 H GLU 48 H GLU 48 71.575 -2.146 -7.916 192 HA GLU 48 HA GLU 48 69.970 -0.224 -9.469 193 HB2 GLU 48 HB2 GLU 48 69.320 -2.529 -10.139 194 HB3 GLU 48 HB3 GLU 48 68.931 -2.879 -8.454 195 HG2 GLU 48 HG2 GLU 48 67.298 -1.014 -8.468 196 HG3 GLU 48 HG3 GLU 48 67.642 -0.739 -10.171 197 H ALA 49 H ALA 49 68.685 1.099 -8.247 198 HA ALA 49 HA ALA 49 68.348 0.466 -5.383 199 HB1 ALA 49 HB1 ALA 49 70.046 2.080 -5.257 200 HB2 ALA 49 HB2 ALA 49 68.572 3.027 -5.052 201 HB3 ALA 49 HB3 ALA 49 69.397 3.005 -6.611 202 H ARG 50 H ARG 50 66.260 0.244 -5.048 203 HA ARG 50 HA ARG 50 64.305 1.828 -6.559 204 HB2 ARG 50 HB2 ARG 50 64.014 -0.472 -4.610 205 HB3 ARG 50 HB3 ARG 50 62.657 0.352 -5.369 206 HG2 ARG 50 HG2 ARG 50 63.610 -0.234 -7.606 207 HG3 ARG 50 HG3 ARG 50 64.879 -1.147 -6.789 208 HD2 ARG 50 HD2 ARG 50 63.075 -2.500 -5.668 209 HD3 ARG 50 HD3 ARG 50 61.900 -1.682 -6.692 210 HE ARG 50 HE ARG 50 64.066 -2.893 -8.168 211 HH11 ARG 50 HH11 ARG 50 60.914 -3.504 -6.746 212 HH12 ARG 50 HH12 ARG 50 60.584 -4.835 -7.805 213 HH21 ARG 50 HH21 ARG 50 63.584 -4.614 -9.502 214 HH22 ARG 50 HH22 ARG 50 62.078 -5.455 -9.345 215 H ILE 51 H ILE 51 63.198 3.499 -5.651 216 HA ILE 51 HA ILE 51 63.726 4.114 -2.812 217 HB ILE 51 HB ILE 51 62.838 5.930 -5.070 218 HG12 ILE 51 HG12 ILE 51 65.520 5.765 -3.666 219 HG13 ILE 51 HG13 ILE 51 65.186 5.020 -5.229 220 HG21 ILE 51 HG21 ILE 51 63.693 6.533 -2.221 221 HG22 ILE 51 HG22 ILE 51 62.065 6.715 -2.877 222 HG23 ILE 51 HG23 ILE 51 63.370 7.744 -3.464 223 HD11 ILE 51 HD11 ILE 51 65.061 7.970 -4.554 224 HD12 ILE 51 HD12 ILE 51 64.492 7.289 -6.076 225 HD13 ILE 51 HD13 ILE 51 66.197 7.175 -5.643 226 H ASN 52 H ASN 52 62.124 3.919 -1.409 227 HA ASN 52 HA ASN 52 59.366 4.498 -2.230 228 HB2 ASN 52 HB2 ASN 52 59.768 1.995 -2.235 229 HB3 ASN 52 HB3 ASN 52 60.078 2.118 -0.504 230 HD21 ASN 52 HD21 ASN 52 58.260 1.830 0.784 231 HD22 ASN 52 HD22 ASN 52 56.659 2.084 0.278 232 H GLY 53 H GLY 53 59.226 6.379 -1.069 233 HA2 GLY 53 HA2 GLY 53 59.056 7.763 0.764 234 HA3 GLY 53 HA3 GLY 53 58.846 6.301 1.723 235 H ARG 54 H ARG 54 60.225 6.395 3.385 236 HA ARG 54 HA ARG 54 62.800 7.711 3.170 237 HB2 ARG 54 HB2 ARG 54 61.256 7.705 5.222 238 HB3 ARG 54 HB3 ARG 54 61.846 6.068 5.505 239 HG2 ARG 54 HG2 ARG 54 64.169 6.905 5.541 240 HG3 ARG 54 HG3 ARG 54 63.583 8.542 5.254 241 HD2 ARG 54 HD2 ARG 54 63.960 8.335 7.612 242 HD3 ARG 54 HD3 ARG 54 62.217 8.316 7.372 243 HE ARG 54 HE ARG 54 63.908 6.051 8.148 244 HH11 ARG 54 HH11 ARG 54 60.689 7.141 7.241 245 HH12 ARG 54 HH12 ARG 54 59.924 5.756 7.939 246 HH21 ARG 54 HH21 ARG 54 62.855 4.291 9.017 247 HH22 ARG 54 HH22 ARG 54 61.131 4.165 8.925 248 H GLU 55 H GLU 55 61.715 4.518 2.535 249 HA GLU 55 HA GLU 55 64.300 3.340 3.318 250 HB2 GLU 55 HB2 GLU 55 61.676 2.035 2.563 251 HB3 GLU 55 HB3 GLU 55 63.141 1.177 3.041 252 HG2 GLU 55 HG2 GLU 55 63.108 2.392 5.212 253 HG3 GLU 55 HG3 GLU 55 61.600 3.159 4.738 254 H ILE 56 H ILE 56 65.647 2.415 1.841 255 HA ILE 56 HA ILE 56 64.783 2.375 -0.998 256 HB ILE 56 HB ILE 56 67.599 2.751 0.069 257 HG12 ILE 56 HG12 ILE 56 65.807 4.772 -1.307 258 HG13 ILE 56 HG13 ILE 56 66.040 4.705 0.440 259 HG21 ILE 56 HG21 ILE 56 67.248 1.609 -2.200 260 HG22 ILE 56 HG22 ILE 56 68.241 3.064 -2.209 261 HG23 ILE 56 HG23 ILE 56 66.565 3.140 -2.747 262 HD11 ILE 56 HD11 ILE 56 68.288 5.029 -1.572 263 HD12 ILE 56 HD12 ILE 56 68.431 5.094 0.184 264 HD13 ILE 56 HD13 ILE 56 67.552 6.356 -0.678 265 H ASN 57 H ASN 57 64.858 0.408 -1.957 266 HA ASN 57 HA ASN 57 66.186 -1.799 -0.498 267 HB2 ASN 57 HB2 ASN 57 64.172 -1.894 -2.768 268 HB3 ASN 57 HB3 ASN 57 64.843 -3.292 -1.930 269 HD21 ASN 57 HD21 ASN 57 64.741 -2.431 0.753 270 HD22 ASN 57 HD22 ASN 57 63.123 -2.178 1.197 271 H VAL 58 H VAL 58 67.962 -2.801 -1.414 272 HA VAL 58 HA VAL 58 68.895 -1.642 -3.982 273 HB VAL 58 HB VAL 58 70.588 -2.107 -1.522 274 HG11 VAL 58 HG11 VAL 58 71.098 -1.119 -4.312 275 HG12 VAL 58 HG12 VAL 58 72.048 -2.241 -3.339 276 HG13 VAL 58 HG13 VAL 58 72.095 -0.513 -2.989 277 HG21 VAL 58 HG21 VAL 58 69.737 0.555 -2.694 278 HG22 VAL 58 HG22 VAL 58 70.606 0.272 -1.186 279 HG23 VAL 58 HG23 VAL 58 68.914 -0.195 -1.326 280 H THR 59 H THR 59 69.832 -2.979 -5.371 281 HA THR 59 HA THR 59 70.554 -5.711 -4.472 282 HB THR 59 HB THR 59 69.758 -4.752 -7.238 283 HG1 THR 59 HG1 THR 59 67.941 -6.017 -6.748 284 HG21 THR 59 HG21 THR 59 71.063 -6.584 -7.743 285 HG22 THR 59 HG22 THR 59 69.548 -7.412 -7.385 286 HG23 THR 59 HG23 THR 59 70.817 -7.331 -6.163 287 H LYS 60 H LYS 60 72.683 -6.136 -4.491 288 HA LYS 60 HA LYS 60 74.555 -4.336 -5.774 289 HB2 LYS 60 HB2 LYS 60 74.952 -6.900 -4.222 290 HB3 LYS 60 HB3 LYS 60 76.264 -5.899 -4.841 291 HG2 LYS 60 HG2 LYS 60 75.358 -3.974 -3.533 292 HG3 LYS 60 HG3 LYS 60 74.147 -5.056 -2.840 293 HD2 LYS 60 HD2 LYS 60 75.983 -6.510 -1.986 294 HD3 LYS 60 HD3 LYS 60 77.155 -5.339 -2.589 295 HE2 LYS 60 HE2 LYS 60 75.785 -3.615 -1.183 296 HE3 LYS 60 HE3 LYS 60 75.182 -5.043 -0.339 297 HZ1 LYS 60 HZ1 LYS 60 77.319 -5.628 0.344 298 HZ2 LYS 60 HZ2 LYS 60 77.260 -3.946 0.574 299 HZ3 LYS 60 HZ3 LYS 60 78.071 -4.595 -0.771 300 H LYS 61 H LYS 61 76.147 -5.037 -7.337 301 HA LYS 61 HA LYS 61 75.181 -6.463 -9.524 302 HB2 LYS 61 HB2 LYS 61 78.058 -6.061 -8.686 303 HB3 LYS 61 HB3 LYS 61 77.526 -6.570 -10.289 304 HG2 LYS 61 HG2 LYS 61 76.125 -4.457 -10.379 305 HG3 LYS 61 HG3 LYS 61 76.961 -3.933 -8.918 306 HD2 LYS 61 HD2 LYS 61 78.346 -4.703 -11.501 307 HD3 LYS 61 HD3 LYS 61 78.014 -3.045 -11.000 308 HE2 LYS 61 HE2 LYS 61 80.182 -3.309 -10.206 309 HE3 LYS 61 HE3 LYS 61 79.252 -3.793 -8.788 310 HZ1 LYS 61 HZ1 LYS 61 79.658 -5.968 -10.586 311 HZ2 LYS 61 HZ2 LYS 61 80.026 -5.852 -8.931 312 HZ3 LYS 61 HZ3 LYS 61 81.134 -5.294 -10.092 313 H ASP 62 H ASP 62 76.733 -7.682 -6.619 314 HA ASP 62 HA ASP 62 77.311 -10.274 -7.771 315 HB2 ASP 62 HB2 ASP 62 78.633 -9.069 -5.935 316 HB3 ASP 62 HB3 ASP 62 77.356 -9.597 -4.842 317 H SER 63 H SER 63 74.391 -9.153 -7.302 318 HA SER 63 HA SER 63 72.367 -10.188 -7.120 319 HB2 SER 63 HB2 SER 63 73.625 -12.212 -8.024 320 HB3 SER 63 HB3 SER 63 73.740 -12.753 -6.353 321 HG SER 63 HG SER 63 71.608 -12.684 -8.005 322 H ASN 64 H ASN 64 74.508 -9.843 -4.535 323 HA ASN 64 HA ASN 64 72.869 -10.930 -2.452 324 HB2 ASN 64 HB2 ASN 64 75.020 -8.799 -2.375 325 HB3 ASN 64 HB3 ASN 64 74.303 -9.567 -0.960 326 HD21 ASN 64 HD21 ASN 64 77.151 -9.715 -1.877 327 HD22 ASN 64 HD22 ASN 64 77.467 -11.366 -2.111 328 H ARG 65 H ARG 65 71.230 -9.957 -1.298 329 HA ARG 65 HA ARG 65 70.369 -7.285 -2.257 330 HB2 ARG 65 HB2 ARG 65 68.748 -9.570 -1.113 331 HB3 ARG 65 HB3 ARG 65 68.100 -7.992 -1.564 332 HG2 ARG 65 HG2 ARG 65 68.936 -8.351 -3.886 333 HG3 ARG 65 HG3 ARG 65 69.461 -9.969 -3.418 334 HD2 ARG 65 HD2 ARG 65 67.088 -10.449 -2.717 335 HD3 ARG 65 HD3 ARG 65 66.628 -8.902 -3.421 336 HE ARG 65 HE ARG 65 66.725 -9.904 -5.491 337 HH11 ARG 65 HH11 ARG 65 68.703 -11.810 -3.304 338 HH12 ARG 65 HH12 ARG 65 69.032 -13.022 -4.498 339 HH21 ARG 65 HH21 ARG 65 67.184 -11.495 -6.984 340 HH22 ARG 65 HH22 ARG 65 68.183 -12.843 -6.555 341 H TYR 66 H TYR 66 69.787 -5.718 -0.809 342 HA TYR 66 HA TYR 66 69.623 -6.329 2.024 343 HB2 TYR 66 HB2 TYR 66 71.369 -4.891 2.741 344 HB3 TYR 66 HB3 TYR 66 72.045 -6.001 1.573 345 HD1 TYR 66 HD1 TYR 66 71.059 -2.508 2.229 346 HD2 TYR 66 HD2 TYR 66 72.899 -5.209 -0.557 347 HE1 TYR 66 HE1 TYR 66 71.992 -0.581 0.979 348 HE2 TYR 66 HE2 TYR 66 73.829 -3.281 -1.810 349 HH TYR 66 HH TYR 66 74.390 -0.785 -1.129 350 H THR 67 H THR 67 69.065 -4.379 3.312 351 HA THR 67 HA THR 67 67.552 -2.395 1.717 352 HB THR 67 HB THR 67 66.713 -3.573 4.377 353 HG1 THR 67 HG1 THR 67 65.428 -4.814 3.211 354 HG21 THR 67 HG21 THR 67 65.836 -1.369 4.169 355 HG22 THR 67 HG22 THR 67 64.529 -2.442 3.664 356 HG23 THR 67 HG23 THR 67 65.489 -1.589 2.454 357 H THR 68 H THR 68 67.821 -0.298 2.295 358 HA THR 68 HA THR 68 69.401 0.261 4.746 359 HB THR 68 HB THR 68 70.831 0.450 2.759 360 HG1 THR 68 HG1 THR 68 71.112 1.913 4.432 361 HG21 THR 68 HG21 THR 68 69.162 2.761 1.808 362 HG22 THR 68 HG22 THR 68 68.757 1.120 1.304 363 HG23 THR 68 HG23 THR 68 70.339 1.796 0.917 364 H TYR 69 H TYR 69 68.847 2.044 5.922 365 HA TYR 69 HA TYR 69 66.344 3.402 5.126 366 HB2 TYR 69 HB2 TYR 69 67.682 3.244 7.831 367 HB3 TYR 69 HB3 TYR 69 66.133 3.992 7.487 368 HD1 TYR 69 HD2 TYR 69 64.146 2.630 7.048 369 HD2 TYR 69 HD1 TYR 69 67.952 0.825 7.893 370 HE1 TYR 69 HE2 TYR 69 63.027 0.451 7.444 371 HE2 TYR 69 HE1 TYR 69 66.832 -1.352 8.287 372 HH TYR 69 HH TYR 69 64.210 -1.946 8.999 373 H ILE 70 H ILE 70 66.265 5.621 4.910 374 HA ILE 70 HA ILE 70 68.853 6.985 4.871 375 HB ILE 70 HB ILE 70 66.202 8.104 3.966 376 HG12 ILE 70 HG12 ILE 70 68.283 6.751 2.224 377 HG13 ILE 70 HG13 ILE 70 66.815 5.941 2.769 378 HG21 ILE 70 HG21 ILE 70 68.267 9.563 4.410 379 HG22 ILE 70 HG22 ILE 70 67.528 9.703 2.815 380 HG23 ILE 70 HG23 ILE 70 68.998 8.750 3.026 381 HD11 ILE 70 HD11 ILE 70 65.655 8.132 1.793 382 HD12 ILE 70 HD12 ILE 70 66.072 6.781 0.745 383 HD13 ILE 70 HD13 ILE 70 67.126 8.192 0.822 384 HA PRO 71 HA PRO 71 67.419 8.558 8.958 385 HB2 PRO 71 HB2 PRO 71 69.670 10.226 9.307 386 HB3 PRO 71 HB3 PRO 71 69.447 8.596 9.958 387 HG2 PRO 71 HG2 PRO 71 70.984 9.491 7.613 388 HG3 PRO 71 HG3 PRO 71 71.245 8.105 8.684 389 HD2 PRO 71 HD2 PRO 71 70.262 7.842 6.160 390 HD3 PRO 71 HD3 PRO 71 69.836 6.725 7.465 391 H VAL 72 H VAL 72 68.889 10.646 6.467 392 HA VAL 72 HA VAL 72 66.605 12.469 6.764 393 HB VAL 72 HB VAL 72 69.484 13.391 6.514 394 HG11 VAL 72 HG11 VAL 72 66.895 14.933 6.868 395 HG12 VAL 72 HG12 VAL 72 67.831 14.840 5.376 396 HG13 VAL 72 HG13 VAL 72 68.512 15.636 6.796 397 HG21 VAL 72 HG21 VAL 72 69.223 12.695 8.768 398 HG22 VAL 72 HG22 VAL 72 67.558 13.272 8.838 399 HG23 VAL 72 HG23 VAL 72 68.890 14.427 8.804 400 H GLN 73 H GLN 73 65.820 13.214 4.829 401 HA GLN 73 HA GLN 73 66.397 11.753 2.507 402 HB2 GLN 73 HB2 GLN 73 65.042 14.442 2.816 403 HB3 GLN 73 HB3 GLN 73 65.034 13.483 1.335 404 HG2 GLN 73 HG2 GLN 73 63.927 11.638 2.496 405 HG3 GLN 73 HG3 GLN 73 64.000 12.522 4.017 406 HE21 GLN 73 HE21 GLN 73 61.506 11.662 2.902 407 HE22 GLN 73 HE22 GLN 73 60.624 13.039 2.446 408 H ASP 74 H ASP 74 67.890 11.944 0.968 409 HA ASP 74 HA ASP 74 69.569 14.387 0.915 410 HB2 ASP 74 HB2 ASP 74 70.480 12.013 1.670 411 HB3 ASP 74 HB3 ASP 74 70.596 11.758 -0.067 412 HA PRO 75 HA PRO 75 67.413 14.147 -3.195 413 HB2 PRO 75 HB2 PRO 75 68.392 16.965 -3.251 414 HB3 PRO 75 HB3 PRO 75 66.791 16.315 -3.669 415 HG2 PRO 75 HG2 PRO 75 67.127 17.631 -1.417 416 HG3 PRO 75 HG3 PRO 75 66.130 16.162 -1.453 417 HD2 PRO 75 HD2 PRO 75 68.954 16.484 -0.463 418 HD3 PRO 75 HD3 PRO 75 67.611 15.560 0.254 419 H LYS 76 H LYS 76 70.597 15.322 -2.293 420 HA LYS 76 HA LYS 76 71.716 15.528 -4.896 421 HB2 LYS 76 HB2 LYS 76 72.726 16.521 -2.841 422 HB3 LYS 76 HB3 LYS 76 73.151 14.894 -2.307 423 HG2 LYS 76 HG2 LYS 76 74.458 14.576 -4.401 424 HG3 LYS 76 HG3 LYS 76 74.091 16.241 -4.855 425 HD2 LYS 76 HD2 LYS 76 75.156 17.000 -2.715 426 HD3 LYS 76 HD3 LYS 76 75.645 15.331 -2.416 427 HE2 LYS 76 HE2 LYS 76 76.770 15.388 -4.704 428 HE3 LYS 76 HE3 LYS 76 76.506 17.132 -4.688 429 HZ1 LYS 76 HZ1 LYS 76 77.723 15.929 -2.322 430 HZ2 LYS 76 HZ2 LYS 76 78.006 17.443 -3.040 431 HZ3 LYS 76 HZ3 LYS 76 78.684 16.039 -3.715 432 H LEU 77 H LEU 77 71.171 12.790 -2.773 433 HA LEU 77 HA LEU 77 73.080 11.005 -3.778 434 HB2 LEU 77 HB2 LEU 77 71.672 10.617 -1.758 435 HB3 LEU 77 HB3 LEU 77 70.290 10.330 -2.815 436 HG LEU 77 HG LEU 77 71.662 8.521 -3.948 437 HD11 LEU 77 HD11 LEU 77 73.496 7.642 -2.310 438 HD12 LEU 77 HD12 LEU 77 73.495 9.293 -1.689 439 HD13 LEU 77 HD13 LEU 77 73.892 8.988 -3.379 440 HD21 LEU 77 HD21 LEU 77 71.438 6.945 -1.924 441 HD22 LEU 77 HD22 LEU 77 69.977 7.793 -2.433 442 HD23 LEU 77 HD23 LEU 77 70.883 8.362 -1.031 443 H LEU 78 H LEU 78 69.877 11.877 -5.002 444 HA LEU 78 HA LEU 78 69.584 9.803 -6.886 445 HB2 LEU 78 HB2 LEU 78 68.595 12.661 -7.073 446 HB3 LEU 78 HB3 LEU 78 67.989 11.293 -8.006 447 HG LEU 78 HG LEU 78 67.924 11.476 -4.979 448 HD11 LEU 78 HD11 LEU 78 65.403 11.621 -5.460 449 HD12 LEU 78 HD12 LEU 78 65.858 12.030 -7.114 450 HD13 LEU 78 HD13 LEU 78 66.352 13.073 -5.780 451 HD21 LEU 78 HD21 LEU 78 66.908 9.464 -6.997 452 HD22 LEU 78 HD22 LEU 78 66.263 9.552 -5.359 453 HD23 LEU 78 HD23 LEU 78 67.967 9.176 -5.617 454 H ASP 79 H ASP 79 71.041 13.031 -7.177 455 HA ASP 79 HA ASP 79 71.624 12.900 -9.929 456 HB2 ASP 79 HB2 ASP 79 73.039 14.404 -7.716 457 HB3 ASP 79 HB3 ASP 79 73.302 14.673 -9.436 458 H ASN 80 H ASN 80 73.510 11.910 -7.094 459 HA ASN 80 HA ASN 80 75.897 11.273 -8.420 460 HB2 ASN 80 HB2 ASN 80 75.459 11.374 -5.906 461 HB3 ASN 80 HB3 ASN 80 74.802 9.747 -6.060 462 HD21 ASN 80 HD21 ASN 80 76.384 8.325 -5.329 463 HD22 ASN 80 HD22 ASN 80 78.024 8.396 -5.761 464 H LEU 81 H LEU 81 73.102 9.184 -7.658 465 HA LEU 81 HA LEU 81 74.146 6.803 -8.719 466 HB2 LEU 81 HB2 LEU 81 71.257 7.704 -8.597 467 HB3 LEU 81 HB3 LEU 81 71.808 6.045 -8.835 468 HG LEU 81 HG LEU 81 72.481 7.737 -6.411 469 HD11 LEU 81 HD11 LEU 81 70.440 5.525 -6.793 470 HD12 LEU 81 HD12 LEU 81 70.090 7.220 -6.451 471 HD13 LEU 81 HD13 LEU 81 70.887 6.221 -5.236 472 HD21 LEU 81 HD21 LEU 81 74.169 6.116 -6.583 473 HD22 LEU 81 HD22 LEU 81 73.080 4.920 -7.287 474 HD23 LEU 81 HD23 LEU 81 72.975 5.306 -5.569 475 H LEU 82 H LEU 82 72.473 9.491 -10.310 476 HA LEU 82 HA LEU 82 72.119 8.127 -12.795 477 HB2 LEU 82 HB2 LEU 82 72.287 11.100 -12.221 478 HB3 LEU 82 HB3 LEU 82 71.744 10.389 -13.739 479 HG LEU 82 HG LEU 82 70.451 9.855 -11.050 480 HD11 LEU 82 HD11 LEU 82 70.125 12.193 -11.709 481 HD12 LEU 82 HD12 LEU 82 68.621 11.300 -11.925 482 HD13 LEU 82 HD13 LEU 82 69.623 11.688 -13.322 483 HD21 LEU 82 HD21 LEU 82 69.921 8.031 -12.428 484 HD22 LEU 82 HD22 LEU 82 69.915 9.016 -13.891 485 HD23 LEU 82 HD23 LEU 82 68.583 9.137 -12.741 486 H THR 83 H THR 83 74.670 10.321 -11.611 487 HA THR 83 HA THR 83 76.181 10.399 -13.970 488 HB THR 83 HB THR 83 77.251 10.456 -11.142 489 HG1 THR 83 HG1 THR 83 76.218 12.483 -12.746 490 HG21 THR 83 HG21 THR 83 78.935 10.262 -12.967 491 HG22 THR 83 HG22 THR 83 79.034 11.806 -12.121 492 HG23 THR 83 HG23 THR 83 78.265 11.716 -13.706 493 H LYS 84 H LYS 84 76.028 7.947 -11.451 494 HA LYS 84 HA LYS 84 78.289 6.478 -12.514 495 HB2 LYS 84 HB2 LYS 84 76.324 5.828 -10.315 496 HB3 LYS 84 HB3 LYS 84 77.682 4.795 -10.770 497 HG2 LYS 84 HG2 LYS 84 79.227 6.714 -10.363 498 HG3 LYS 84 HG3 LYS 84 77.853 7.659 -9.790 499 HD2 LYS 84 HD2 LYS 84 77.427 5.917 -8.054 500 HD3 LYS 84 HD3 LYS 84 78.886 5.077 -8.584 501 HE2 LYS 84 HE2 LYS 84 78.762 7.907 -7.498 502 HE3 LYS 84 HE3 LYS 84 79.391 6.496 -6.646 503 HZ1 LYS 84 HZ1 LYS 84 80.971 6.245 -8.563 504 HZ2 LYS 84 HZ2 LYS 84 81.238 7.593 -7.562 505 HZ3 LYS 84 HZ3 LYS 84 80.487 7.790 -9.074 506 H ASN 85 H ASN 85 75.220 6.765 -13.684 507 HA ASN 85 HA ASN 85 73.903 5.516 -15.059 508 HB2 ASN 85 HB2 ASN 85 76.404 3.840 -15.389 509 HB3 ASN 85 HB3 ASN 85 74.992 3.816 -16.439 510 HD21 ASN 85 HD21 ASN 85 77.746 4.595 -17.217 511 HD22 ASN 85 HD22 ASN 85 77.646 6.203 -17.751 512 H VAL 86 H VAL 86 73.714 4.999 -12.308 513 HA VAL 86 HA VAL 86 73.338 2.095 -12.114 514 HB VAL 86 HB VAL 86 72.889 4.258 -10.040 515 HG11 VAL 86 HG11 VAL 86 71.612 2.168 -9.653 516 HG12 VAL 86 HG12 VAL 86 72.890 2.376 -8.455 517 HG13 VAL 86 HG13 VAL 86 73.107 1.242 -9.788 518 HG21 VAL 86 HG21 VAL 86 75.214 2.342 -10.408 519 HG22 VAL 86 HG22 VAL 86 75.037 3.519 -9.107 520 HG23 VAL 86 HG23 VAL 86 75.260 4.067 -10.767 521 H LYS 87 H LYS 87 71.299 1.136 -11.911 522 HA LYS 87 HA LYS 87 69.174 2.503 -13.259 523 HB2 LYS 87 HB2 LYS 87 69.532 0.024 -13.346 524 HB3 LYS 87 HB3 LYS 87 69.021 -0.064 -11.659 525 HG2 LYS 87 HG2 LYS 87 66.859 0.995 -12.286 526 HG3 LYS 87 HG3 LYS 87 67.366 0.977 -13.976 527 HD2 LYS 87 HD2 LYS 87 67.639 -1.510 -13.808 528 HD3 LYS 87 HD3 LYS 87 66.952 -1.432 -12.186 529 HE2 LYS 87 HE2 LYS 87 64.901 -0.393 -13.121 530 HE3 LYS 87 HE3 LYS 87 65.582 -0.544 -14.740 531 HZ1 LYS 87 HZ1 LYS 87 65.696 -2.936 -14.434 532 HZ2 LYS 87 HZ2 LYS 87 64.103 -2.381 -14.232 533 HZ3 LYS 87 HZ3 LYS 87 65.041 -2.791 -12.876 534 H VAL 88 H VAL 88 67.422 3.552 -12.448 535 HA VAL 88 HA VAL 88 67.150 3.680 -9.500 536 HB VAL 88 HB VAL 88 66.927 6.033 -11.398 537 HG11 VAL 88 HG11 VAL 88 65.499 6.491 -9.585 538 HG12 VAL 88 HG12 VAL 88 67.023 7.222 -9.082 539 HG13 VAL 88 HG13 VAL 88 66.540 5.655 -8.433 540 HG21 VAL 88 HG21 VAL 88 68.953 6.768 -9.916 541 HG22 VAL 88 HG22 VAL 88 69.240 5.645 -11.246 542 HG23 VAL 88 HG23 VAL 88 69.126 5.043 -9.593 543 H VAL 89 H VAL 89 65.165 3.374 -8.774 544 HA VAL 89 HA VAL 89 62.885 3.655 -10.656 545 HB VAL 89 HB VAL 89 63.092 1.633 -8.412 546 HG11 VAL 89 HG11 VAL 89 61.140 1.967 -10.708 547 HG12 VAL 89 HG12 VAL 89 60.813 2.335 -9.015 548 HG13 VAL 89 HG13 VAL 89 61.103 0.669 -9.515 549 HG21 VAL 89 HG21 VAL 89 63.118 0.040 -10.512 550 HG22 VAL 89 HG22 VAL 89 64.622 0.757 -9.938 551 HG23 VAL 89 HG23 VAL 89 63.791 1.451 -11.330 552 H GLY 90 H GLY 90 61.192 4.867 -9.911 553 HA2 GLY 90 HA2 GLY 90 61.239 5.653 -7.043 554 HA3 GLY 90 HA3 GLY 90 60.753 6.739 -8.341 555 H GLU 91 H GLU 91 59.495 5.098 -5.887 556 HA GLU 91 HA GLU 91 56.862 5.096 -7.118 557 HB2 GLU 91 HB2 GLU 91 58.223 2.589 -6.174 558 HB3 GLU 91 HB3 GLU 91 56.470 2.744 -6.058 559 HG2 GLU 91 HG2 GLU 91 56.635 3.517 -8.554 560 HG3 GLU 91 HG3 GLU 91 58.202 2.710 -8.513 561 HA PRO 92 HA PRO 92 56.997 6.699 -2.774 562 HB2 PRO 92 HB2 PRO 92 54.546 8.088 -3.736 563 HB3 PRO 92 HB3 PRO 92 55.936 8.737 -2.845 564 HG2 PRO 92 HG2 PRO 92 55.573 9.250 -5.429 565 HG3 PRO 92 HG3 PRO 92 57.192 9.025 -4.739 566 HD2 PRO 92 HD2 PRO 92 55.583 7.136 -6.413 567 HD3 PRO 92 HD3 PRO 92 57.341 7.397 -6.377 568 HA PRO 93 HA PRO 93 54.096 3.664 -1.239 569 HB2 PRO 93 HB2 PRO 93 53.414 5.652 0.891 570 HB3 PRO 93 HB3 PRO 93 53.902 3.951 1.049 571 HG2 PRO 93 HG2 PRO 93 55.614 5.863 1.616 572 HG3 PRO 93 HG3 PRO 93 56.145 4.425 0.719 573 HD2 PRO 93 HD2 PRO 93 55.574 7.181 -0.329 574 HD3 PRO 93 HD3 PRO 93 56.865 6.045 -0.787 575 H GLU 94 H GLU 94 51.919 3.196 -1.442 576 HA GLU 94 HA GLU 94 50.182 5.413 -2.345 577 HB2 GLU 94 HB2 GLU 94 50.633 3.549 -3.956 578 HB3 GLU 94 HB3 GLU 94 49.837 2.447 -2.830 579 HG2 GLU 94 HG2 GLU 94 47.795 3.867 -2.936 580 HG3 GLU 94 HG3 GLU 94 48.588 4.883 -4.130 581 H GLU 95 H GLU 95 48.212 5.752 -1.422 582 HA GLU 95 HA GLU 95 47.443 4.013 0.849 583 HB2 GLU 95 HB2 GLU 95 47.592 7.011 0.672 584 HB3 GLU 95 HB3 GLU 95 46.482 6.227 1.797 585 HG2 GLU 95 HG2 GLU 95 48.460 4.884 2.646 586 HG3 GLU 95 HG3 GLU 95 49.492 5.945 1.687 587 HA PRO 96 HA PRO 96 44.065 4.232 -2.357 588 HB2 PRO 96 HB2 PRO 96 42.977 1.780 -1.664 589 HB3 PRO 96 HB3 PRO 96 44.217 2.025 -2.908 590 HG2 PRO 96 HG2 PRO 96 44.541 1.183 -0.066 591 HG3 PRO 96 HG3 PRO 96 45.332 0.554 -1.527 592 HD2 PRO 96 HD2 PRO 96 46.654 2.234 0.073 593 HD3 PRO 96 HD3 PRO 96 46.795 2.382 -1.693 594 H LEU 97 H LEU 97 44.033 3.654 1.095 595 HA LEU 97 HA LEU 97 41.250 3.704 1.544 596 HB2 LEU 97 HB2 LEU 97 43.475 4.649 3.367 597 HB3 LEU 97 HB3 LEU 97 41.829 4.255 3.860 598 HG LEU 97 HG LEU 97 43.745 2.305 2.545 599 HD11 LEU 97 HD11 LEU 97 43.640 1.250 4.877 600 HD12 LEU 97 HD12 LEU 97 42.965 2.783 5.428 601 HD13 LEU 97 HD13 LEU 97 44.587 2.731 4.737 602 HD21 LEU 97 HD21 LEU 97 41.586 1.524 2.057 603 HD22 LEU 97 HD22 LEU 97 40.914 2.151 3.562 604 HD23 LEU 97 HD23 LEU 97 41.938 0.714 3.583 605 H GLU 98 H GLU 98 43.629 6.296 1.215 606 HA GLU 98 HA GLU 98 42.113 8.431 2.197 607 HB2 GLU 98 HB2 GLU 98 44.538 8.510 1.609 608 HB3 GLU 98 HB3 GLU 98 44.082 8.534 -0.095 609 HG2 GLU 98 HG2 GLU 98 42.729 10.582 0.327 610 HG3 GLU 98 HG3 GLU 98 43.288 10.580 1.994 611 H HIS 99 H HIS 99 42.017 6.843 -0.950 612 HA HIS 99 HA HIS 99 40.695 8.775 -2.453 613 HB2 HIS 99 HB2 HIS 99 40.486 5.769 -2.534 614 HB3 HIS 99 HB3 HIS 99 39.778 6.825 -3.743 615 HD1 HIS 99 HD1 HIS 99 43.176 5.960 -2.272 616 HD2 HIS 99 HD2 HIS 99 41.542 7.554 -5.760 617 HE1 HIS 99 HE1 HIS 99 45.087 6.194 -3.914 618 H HIS 100 H HIS 100 39.383 6.507 -0.079 619 HA HIS 100 HA HIS 100 36.663 6.742 -0.709 620 HB2 HIS 100 HB2 HIS 100 38.033 6.295 1.941 621 HB3 HIS 100 HB3 HIS 100 36.299 6.175 1.711 622 HD1 HIS 100 HD1 HIS 100 39.522 4.414 0.996 623 HD2 HIS 100 HD2 HIS 100 35.453 3.840 0.295 624 HE1 HIS 100 HE1 HIS 100 39.263 2.023 0.209 625 H HIS 101 H HIS 101 35.069 8.160 -0.140 626 HA HIS 101 HA HIS 101 35.902 10.820 0.658 627 HB2 HIS 101 HB2 HIS 101 33.197 9.683 -0.038 628 HB3 HIS 101 HB3 HIS 101 33.505 11.373 0.311 629 HD1 HIS 101 HD1 HIS 101 33.946 8.752 -2.314 630 HD2 HIS 101 HD2 HIS 101 34.886 12.777 -1.771 631 HE1 HIS 101 HE1 HIS 101 34.644 9.635 -4.581 632 H HIS 102 H HIS 102 34.274 8.085 2.145 633 HA HIS 102 HA HIS 102 32.964 9.367 4.254 634 HB2 HIS 102 HB2 HIS 102 32.719 6.974 3.673 635 HB3 HIS 102 HB3 HIS 102 34.329 6.674 4.296 636 HD1 HIS 102 HD1 HIS 102 34.606 6.523 6.842 637 HD2 HIS 102 HD2 HIS 102 30.729 7.517 5.674 638 HE1 HIS 102 HE1 HIS 102 33.164 6.330 8.912 639 H HIS 103 H HIS 103 36.349 8.391 3.928 640 HA HIS 103 HA HIS 103 37.183 8.734 6.570 641 HB2 HIS 103 HB2 HIS 103 38.556 7.747 4.774 642 HB3 HIS 103 HB3 HIS 103 38.730 9.334 4.050 643 HD1 HIS 103 HD1 HIS 103 39.419 7.715 7.442 644 HD2 HIS 103 HD2 HIS 103 41.046 10.568 4.875 645 HE1 HIS 103 HE1 HIS 103 41.577 8.493 8.514 646 H HIS 104 H HIS 104 36.589 11.143 4.064 647 HA HIS 104 HA HIS 104 37.718 13.281 5.694 648 HB2 HIS 104 HB2 HIS 104 37.994 13.268 3.232 649 HB3 HIS 104 HB3 HIS 104 36.254 13.400 3.054 650 HD1 HIS 104 HD1 HIS 104 39.042 15.344 4.804 651 HD2 HIS 104 HD2 HIS 104 35.465 16.020 2.772 652 HE1 HIS 104 HE1 HIS 104 38.765 17.855 4.662 Start of MODEL 2 1 H1 MET 23 HT1 MET 23 66.003 -16.645 -4.500 2 H2 MET 23 HT2 MET 23 64.647 -17.656 -4.345 3 H3 MET 23 HT3 MET 23 65.691 -17.830 -5.673 4 HA MET 23 HA MET 23 66.144 -19.586 -4.142 5 HB2 MET 23 HB2 MET 23 68.038 -18.332 -5.315 6 HB3 MET 23 HB3 MET 23 68.305 -17.500 -3.782 7 HG2 MET 23 HG2 MET 23 68.517 -19.751 -2.678 8 HG3 MET 23 HG3 MET 23 68.454 -20.484 -4.281 9 HE1 MET 23 HE1 MET 23 70.063 -18.207 -6.036 10 HE2 MET 23 HE2 MET 23 69.899 -19.957 -6.162 11 HE3 MET 23 HE3 MET 23 71.503 -19.230 -6.116 12 H ALA 24 H ALA 24 66.359 -16.369 -2.649 13 HA ALA 24 HA ALA 24 66.635 -17.425 0.019 14 HB1 ALA 24 HB1 ALA 24 66.324 -15.047 0.698 15 HB2 ALA 24 HB2 ALA 24 66.020 -14.638 -0.990 16 HB3 ALA 24 HB3 ALA 24 67.598 -15.258 -0.504 17 H SER 25 H SER 25 65.060 -18.061 1.341 18 HA SER 25 HA SER 25 62.354 -18.197 0.538 19 HB2 SER 25 HB2 SER 25 61.921 -19.043 2.765 20 HB3 SER 25 HB3 SER 25 63.439 -19.720 2.184 21 HG SER 25 HG SER 25 63.624 -18.868 4.271 22 H GLU 26 H GLU 26 64.123 -15.817 2.450 23 HA GLU 26 HA GLU 26 61.602 -14.339 2.916 24 HB2 GLU 26 HB2 GLU 26 64.280 -14.136 4.311 25 HB3 GLU 26 HB3 GLU 26 62.864 -13.149 4.678 26 HG2 GLU 26 HG2 GLU 26 61.584 -15.224 5.176 27 HG3 GLU 26 HG3 GLU 26 63.040 -16.167 4.891 28 H SER 27 H SER 27 61.251 -12.552 1.789 29 HA SER 27 HA SER 27 62.975 -11.497 -0.148 30 HB2 SER 27 HB2 SER 27 60.750 -10.063 1.315 31 HB3 SER 27 HB3 SER 27 61.450 -9.598 -0.231 32 HG SER 27 HG SER 27 59.619 -10.851 -0.531 33 H ASN 28 H ASN 28 62.790 -10.836 3.291 34 HA ASN 28 HA ASN 28 63.958 -8.303 3.402 35 HB2 ASN 28 HB2 ASN 28 64.294 -10.595 5.351 36 HB3 ASN 28 HB3 ASN 28 64.613 -8.895 5.693 37 HD21 ASN 28 HD21 ASN 28 62.468 -10.914 6.715 38 HD22 ASN 28 HD22 ASN 28 61.016 -10.053 6.542 39 H GLY 29 H GLY 29 66.062 -7.571 3.592 40 HA2 GLY 29 HA2 GLY 29 68.190 -9.492 2.827 41 HA3 GLY 29 HA3 GLY 29 68.110 -7.846 2.206 42 H ARG 30 H ARG 30 70.420 -8.290 3.246 43 HA ARG 30 HA ARG 30 70.740 -8.191 6.058 44 HB2 ARG 30 HB2 ARG 30 72.551 -7.185 3.849 45 HB3 ARG 30 HB3 ARG 30 73.026 -7.351 5.540 46 HG2 ARG 30 HG2 ARG 30 72.479 -9.771 5.438 47 HG3 ARG 30 HG3 ARG 30 72.079 -9.592 3.730 48 HD2 ARG 30 HD2 ARG 30 74.347 -10.396 3.851 49 HD3 ARG 30 HD3 ARG 30 74.411 -8.705 3.361 50 HE ARG 30 HE ARG 30 74.627 -9.186 6.224 51 HH11 ARG 30 HH11 ARG 30 76.382 -8.686 3.225 52 HH12 ARG 30 HH12 ARG 30 77.832 -8.198 4.039 53 HH21 ARG 30 HH21 ARG 30 76.521 -8.549 7.215 54 HH22 ARG 30 HH22 ARG 30 77.907 -8.122 6.269 55 H LYS 31 H LYS 31 71.082 -6.444 7.480 56 HA LYS 31 HA LYS 31 69.776 -3.965 6.724 57 HB2 LYS 31 HB2 LYS 31 71.196 -4.789 9.273 58 HB3 LYS 31 HB3 LYS 31 70.336 -3.265 9.053 59 HG2 LYS 31 HG2 LYS 31 68.265 -4.553 8.523 60 HG3 LYS 31 HG3 LYS 31 69.138 -6.045 8.881 61 HD2 LYS 31 HD2 LYS 31 69.616 -5.165 11.170 62 HD3 LYS 31 HD3 LYS 31 68.616 -3.759 10.804 63 HE2 LYS 31 HE2 LYS 31 67.628 -6.620 10.657 64 HE3 LYS 31 HE3 LYS 31 67.391 -5.564 12.049 65 HZ1 LYS 31 HZ1 LYS 31 65.464 -5.364 10.750 66 HZ2 LYS 31 HZ2 LYS 31 66.342 -5.226 9.302 67 HZ3 LYS 31 HZ3 LYS 31 66.356 -3.957 10.431 68 H VAL 32 H VAL 32 70.736 -2.091 6.129 69 HA VAL 32 HA VAL 32 73.661 -1.843 6.477 70 HB VAL 32 HB VAL 32 72.143 -1.224 3.930 71 HG11 VAL 32 HG11 VAL 32 74.076 0.285 4.386 72 HG12 VAL 32 HG12 VAL 32 74.358 -0.759 2.993 73 HG13 VAL 32 HG13 VAL 32 75.115 -1.132 4.542 74 HG21 VAL 32 HG21 VAL 32 72.368 -3.600 4.091 75 HG22 VAL 32 HG22 VAL 32 74.002 -3.472 4.743 76 HG23 VAL 32 HG23 VAL 32 73.692 -3.068 3.054 77 H ASP 33 H ASP 33 74.281 0.027 7.283 78 HA ASP 33 HA ASP 33 72.467 2.160 7.866 79 HB2 ASP 33 HB2 ASP 33 75.488 1.995 8.003 80 HB3 ASP 33 HB3 ASP 33 74.532 3.320 8.658 81 H TYR 34 H TYR 34 72.403 4.266 6.967 82 HA TYR 34 HA TYR 34 72.583 4.485 4.200 83 HB2 TYR 34 HB2 TYR 34 71.244 6.004 5.523 84 HB3 TYR 34 HB3 TYR 34 72.669 6.623 6.329 85 HD1 TYR 34 HD1 TYR 34 72.232 5.956 2.679 86 HD2 TYR 34 HD2 TYR 34 72.592 8.916 5.770 87 HE1 TYR 34 HE1 TYR 34 72.444 7.730 0.959 88 HE2 TYR 34 HE2 TYR 34 72.791 10.691 4.047 89 HH TYR 34 HH TYR 34 72.574 11.102 1.800 90 H SER 35 H SER 35 75.011 5.303 6.663 91 HA SER 35 HA SER 35 76.823 6.645 4.989 92 HB2 SER 35 HB2 SER 35 78.485 6.188 6.690 93 HB3 SER 35 HB3 SER 35 76.954 6.550 7.480 94 HG SER 35 HG SER 35 77.648 4.699 8.370 95 H THR 36 H THR 36 76.415 3.199 5.696 96 HA THR 36 HA THR 36 78.763 2.328 4.333 97 HB THR 36 HB THR 36 76.221 0.772 4.862 98 HG1 THR 36 HG1 THR 36 77.111 1.604 6.736 99 HG21 THR 36 HG21 THR 36 77.500 -0.538 3.408 100 HG22 THR 36 HG22 THR 36 78.062 -1.083 4.989 101 HG23 THR 36 HG23 THR 36 79.027 0.061 4.055 102 H PHE 37 H PHE 37 75.375 2.709 3.352 103 HA PHE 37 HA PHE 37 75.565 1.602 0.797 104 HB2 PHE 37 HB2 PHE 37 73.436 2.195 1.785 105 HB3 PHE 37 HB3 PHE 37 73.871 3.892 1.798 106 HD1 PHE 37 HD2 PHE 37 72.775 1.053 -0.280 107 HD2 PHE 37 HD1 PHE 37 73.821 5.218 -0.245 108 HE1 PHE 37 HE2 PHE 37 71.791 1.323 -2.542 109 HE2 PHE 37 HE1 PHE 37 72.834 5.487 -2.503 110 HZ PHE 37 HZ PHE 37 71.817 3.539 -3.651 111 H LEU 38 H LEU 38 76.244 4.942 1.863 112 HA LEU 38 HA LEU 38 76.638 6.028 -0.696 113 HB2 LEU 38 HB2 LEU 38 77.916 6.828 1.929 114 HB3 LEU 38 HB3 LEU 38 77.903 7.810 0.464 115 HG LEU 38 HG LEU 38 75.402 6.810 1.856 116 HD11 LEU 38 HD11 LEU 38 76.994 9.349 2.114 117 HD12 LEU 38 HD12 LEU 38 76.251 8.371 3.381 118 HD13 LEU 38 HD13 LEU 38 75.245 9.378 2.339 119 HD21 LEU 38 HD21 LEU 38 75.964 8.645 -0.477 120 HD22 LEU 38 HD22 LEU 38 74.448 8.738 0.419 121 HD23 LEU 38 HD23 LEU 38 74.888 7.249 -0.417 122 H GLN 39 H GLN 39 78.926 4.471 1.528 123 HA GLN 39 HA GLN 39 81.251 4.942 -0.006 124 HB2 GLN 39 HB2 GLN 39 81.244 4.102 2.348 125 HB3 GLN 39 HB3 GLN 39 80.692 2.537 1.748 126 HG2 GLN 39 HG2 GLN 39 82.700 2.344 0.347 127 HG3 GLN 39 HG3 GLN 39 83.250 3.923 0.897 128 HE21 GLN 39 HE21 GLN 39 84.993 1.854 1.354 129 HE22 GLN 39 HE22 GLN 39 84.999 1.415 2.994 130 H GLU 40 H GLU 40 78.943 2.245 -0.039 131 HA GLU 40 HA GLU 40 80.309 0.653 -1.909 132 HB2 GLU 40 HB2 GLU 40 78.413 -0.083 -0.449 133 HB3 GLU 40 HB3 GLU 40 77.316 0.787 -1.523 134 HG2 GLU 40 HG2 GLU 40 78.160 -0.551 -3.435 135 HG3 GLU 40 HG3 GLU 40 79.191 -1.451 -2.333 136 H VAL 41 H VAL 41 77.857 3.175 -2.361 137 HA VAL 41 HA VAL 41 77.537 2.982 -5.126 138 HB VAL 41 HB VAL 41 77.474 5.449 -3.366 139 HG11 VAL 41 HG11 VAL 41 76.202 4.986 -6.081 140 HG12 VAL 41 HG12 VAL 41 77.655 5.949 -5.809 141 HG13 VAL 41 HG13 VAL 41 76.116 6.462 -5.116 142 HG21 VAL 41 HG21 VAL 41 75.221 4.981 -2.969 143 HG22 VAL 41 HG22 VAL 41 75.922 3.365 -2.946 144 HG23 VAL 41 HG23 VAL 41 75.080 3.939 -4.383 145 H ASN 42 H ASN 42 79.892 4.890 -3.244 146 HA ASN 42 HA ASN 42 81.260 6.058 -5.389 147 HB2 ASN 42 HB2 ASN 42 82.272 5.209 -2.668 148 HB3 ASN 42 HB3 ASN 42 83.168 6.234 -3.790 149 HD21 ASN 42 HD21 ASN 42 81.404 6.564 -1.070 150 HD22 ASN 42 HD22 ASN 42 80.640 8.047 -1.375 151 H ASN 43 H ASN 43 81.526 2.839 -4.003 152 HA ASN 43 HA ASN 43 83.839 2.149 -5.623 153 HB2 ASN 43 HB2 ASN 43 82.070 0.445 -3.860 154 HB3 ASN 43 HB3 ASN 43 83.561 -0.096 -4.629 155 HD21 ASN 43 HD21 ASN 43 82.763 0.421 -1.663 156 HD22 ASN 43 HD22 ASN 43 84.035 1.383 -1.081 157 H ASP 44 H ASP 44 80.784 2.626 -6.600 158 HA ASP 44 HA ASP 44 79.432 1.826 -8.260 159 HB2 ASP 44 HB2 ASP 44 81.498 2.584 -9.463 160 HB3 ASP 44 HB3 ASP 44 82.054 0.912 -9.450 161 H GLN 45 H GLN 45 79.814 -0.040 -6.073 162 HA GLN 45 HA GLN 45 79.782 -2.642 -7.413 163 HB2 GLN 45 HB2 GLN 45 79.508 -1.917 -4.492 164 HB3 GLN 45 HB3 GLN 45 79.548 -3.561 -5.127 165 HG2 GLN 45 HG2 GLN 45 81.744 -1.497 -5.464 166 HG3 GLN 45 HG3 GLN 45 81.776 -2.843 -4.327 167 HE21 GLN 45 HE21 GLN 45 82.993 -1.972 -7.266 168 HE22 GLN 45 HE22 GLN 45 83.127 -3.502 -7.990 169 H VAL 46 H VAL 46 77.501 -0.264 -6.334 170 HA VAL 46 HA VAL 46 75.291 -2.118 -6.054 171 HB VAL 46 HB VAL 46 75.255 0.905 -6.297 172 HG11 VAL 46 HG11 VAL 46 73.209 -1.121 -5.345 173 HG12 VAL 46 HG12 VAL 46 73.075 -0.062 -6.748 174 HG13 VAL 46 HG13 VAL 46 73.051 0.621 -5.122 175 HG21 VAL 46 HG21 VAL 46 75.609 -0.968 -3.965 176 HG22 VAL 46 HG22 VAL 46 74.841 0.602 -3.732 177 HG23 VAL 46 HG23 VAL 46 76.494 0.511 -4.338 178 H ARG 47 H ARG 47 73.745 -2.605 -7.565 179 HA ARG 47 HA ARG 47 74.303 -1.700 -10.318 180 HB2 ARG 47 HB2 ARG 47 74.328 -4.146 -9.844 181 HB3 ARG 47 HB3 ARG 47 72.634 -4.039 -9.366 182 HG2 ARG 47 HG2 ARG 47 72.075 -3.154 -11.620 183 HG3 ARG 47 HG3 ARG 47 73.763 -3.351 -12.095 184 HD2 ARG 47 HD2 ARG 47 73.587 -5.783 -11.550 185 HD3 ARG 47 HD3 ARG 47 71.873 -5.552 -11.219 186 HE ARG 47 HE ARG 47 73.118 -5.728 -13.804 187 HH11 ARG 47 HH11 ARG 47 70.381 -4.333 -12.105 188 HH12 ARG 47 HH12 ARG 47 69.421 -4.218 -13.542 189 HH21 ARG 47 HH21 ARG 47 71.834 -5.556 -15.619 190 HH22 ARG 47 HH22 ARG 47 70.234 -4.902 -15.506 191 H GLU 48 H GLU 48 71.622 -2.283 -8.055 192 HA GLU 48 HA GLU 48 69.994 -0.314 -9.544 193 HB2 GLU 48 HB2 GLU 48 69.360 -2.641 -10.188 194 HB3 GLU 48 HB3 GLU 48 68.984 -2.967 -8.495 195 HG2 GLU 48 HG2 GLU 48 67.350 -1.101 -8.522 196 HG3 GLU 48 HG3 GLU 48 67.683 -0.850 -10.231 197 H ALA 49 H ALA 49 68.750 1.014 -8.309 198 HA ALA 49 HA ALA 49 68.443 0.388 -5.441 199 HB1 ALA 49 HB1 ALA 49 68.844 2.779 -4.918 200 HB2 ALA 49 HB2 ALA 49 69.273 3.057 -6.606 201 HB3 ALA 49 HB3 ALA 49 70.268 1.998 -5.606 202 H ARG 50 H ARG 50 66.354 0.199 -5.077 203 HA ARG 50 HA ARG 50 64.401 1.797 -6.568 204 HB2 ARG 50 HB2 ARG 50 64.093 -0.430 -4.537 205 HB3 ARG 50 HB3 ARG 50 62.747 0.405 -5.307 206 HG2 ARG 50 HG2 ARG 50 63.581 -0.312 -7.525 207 HG3 ARG 50 HG3 ARG 50 64.916 -1.157 -6.743 208 HD2 ARG 50 HD2 ARG 50 63.223 -2.795 -7.197 209 HD3 ARG 50 HD3 ARG 50 63.200 -2.500 -5.464 210 HE ARG 50 HE ARG 50 61.159 -1.706 -7.409 211 HH11 ARG 50 HH11 ARG 50 62.285 -1.491 -4.086 212 HH12 ARG 50 HH12 ARG 50 60.723 -1.048 -3.487 213 HH21 ARG 50 HH21 ARG 50 59.179 -1.124 -6.573 214 HH22 ARG 50 HH22 ARG 50 58.990 -0.840 -4.875 215 H ILE 51 H ILE 51 63.292 3.479 -5.663 216 HA ILE 51 HA ILE 51 63.911 4.166 -2.856 217 HB ILE 51 HB ILE 51 62.927 5.926 -5.120 218 HG12 ILE 51 HG12 ILE 51 65.662 5.804 -3.815 219 HG13 ILE 51 HG13 ILE 51 65.275 5.046 -5.360 220 HG21 ILE 51 HG21 ILE 51 63.465 7.780 -3.584 221 HG22 ILE 51 HG22 ILE 51 63.905 6.618 -2.332 222 HG23 ILE 51 HG23 ILE 51 62.235 6.723 -2.891 223 HD11 ILE 51 HD11 ILE 51 65.011 8.001 -4.735 224 HD12 ILE 51 HD12 ILE 51 64.624 7.241 -6.278 225 HD13 ILE 51 HD13 ILE 51 66.291 7.268 -5.702 226 H ASN 52 H ASN 52 62.350 3.949 -1.408 227 HA ASN 52 HA ASN 52 59.551 4.407 -2.184 228 HB2 ASN 52 HB2 ASN 52 59.995 1.940 -2.101 229 HB3 ASN 52 HB3 ASN 52 60.471 2.126 -0.415 230 HD21 ASN 52 HD21 ASN 52 57.697 2.437 -2.642 231 HD22 ASN 52 HD22 ASN 52 56.513 2.358 -1.429 232 H GLY 53 H GLY 53 59.589 6.414 -1.158 233 HA2 GLY 53 HA2 GLY 53 59.452 7.896 0.597 234 HA3 GLY 53 HA3 GLY 53 59.129 6.500 1.622 235 H ARG 54 H ARG 54 60.467 6.571 3.309 236 HA ARG 54 HA ARG 54 63.073 7.808 3.177 237 HB2 ARG 54 HB2 ARG 54 61.544 7.854 5.196 238 HB3 ARG 54 HB3 ARG 54 61.951 6.156 5.440 239 HG2 ARG 54 HG2 ARG 54 64.325 6.718 5.628 240 HG3 ARG 54 HG3 ARG 54 63.969 8.416 5.306 241 HD2 ARG 54 HD2 ARG 54 64.184 8.166 7.691 242 HD3 ARG 54 HD3 ARG 54 62.473 8.396 7.337 243 HE ARG 54 HE ARG 54 63.341 5.626 7.460 244 HH11 ARG 54 HH11 ARG 54 61.999 8.312 9.280 245 HH12 ARG 54 HH12 ARG 54 61.309 7.280 10.487 246 HH21 ARG 54 HH21 ARG 54 62.428 4.348 9.044 247 HH22 ARG 54 HH22 ARG 54 61.550 5.063 10.354 248 H GLU 55 H GLU 55 61.934 4.616 2.539 249 HA GLU 55 HA GLU 55 64.513 3.423 3.321 250 HB2 GLU 55 HB2 GLU 55 61.876 2.135 2.583 251 HB3 GLU 55 HB3 GLU 55 63.336 1.268 3.062 252 HG2 GLU 55 HG2 GLU 55 63.323 2.500 5.224 253 HG3 GLU 55 HG3 GLU 55 61.819 3.277 4.750 254 H ILE 56 H ILE 56 65.872 2.542 1.850 255 HA ILE 56 HA ILE 56 65.025 2.494 -0.993 256 HB ILE 56 HB ILE 56 67.840 2.707 0.117 257 HG12 ILE 56 HG12 ILE 56 66.167 4.842 -1.241 258 HG13 ILE 56 HG13 ILE 56 66.416 4.746 0.503 259 HG21 ILE 56 HG21 ILE 56 67.518 1.606 -2.137 260 HG22 ILE 56 HG22 ILE 56 68.499 3.070 -2.173 261 HG23 ILE 56 HG23 ILE 56 66.819 3.122 -2.705 262 HD11 ILE 56 HD11 ILE 56 68.847 4.938 0.184 263 HD12 ILE 56 HD12 ILE 56 68.021 6.313 -0.547 264 HD13 ILE 56 HD13 ILE 56 68.623 5.006 -1.563 265 H ASN 57 H ASN 57 65.007 0.516 -1.949 266 HA ASN 57 HA ASN 57 66.248 -1.745 -0.491 267 HB2 ASN 57 HB2 ASN 57 64.208 -1.773 -2.741 268 HB3 ASN 57 HB3 ASN 57 64.815 -3.185 -1.878 269 HD21 ASN 57 HD21 ASN 57 64.762 -2.308 0.784 270 HD22 ASN 57 HD22 ASN 57 63.164 -1.952 1.234 271 H VAL 58 H VAL 58 67.994 -2.782 -1.412 272 HA VAL 58 HA VAL 58 68.921 -1.663 -4.002 273 HB VAL 58 HB VAL 58 70.631 -2.176 -1.568 274 HG11 VAL 58 HG11 VAL 58 71.126 -1.196 -4.361 275 HG12 VAL 58 HG12 VAL 58 72.069 -2.329 -3.396 276 HG13 VAL 58 HG13 VAL 58 72.150 -0.602 -3.055 277 HG21 VAL 58 HG21 VAL 58 69.012 -0.225 -1.328 278 HG22 VAL 58 HG22 VAL 58 69.824 0.515 -2.707 279 HG23 VAL 58 HG23 VAL 58 70.717 0.200 -1.219 280 H THR 59 H THR 59 69.857 -3.023 -5.393 281 HA THR 59 HA THR 59 70.503 -5.770 -4.477 282 HB THR 59 HB THR 59 69.670 -4.866 -7.248 283 HG1 THR 59 HG1 THR 59 68.017 -4.895 -5.674 284 HG21 THR 59 HG21 THR 59 69.338 -7.494 -7.319 285 HG22 THR 59 HG22 THR 59 70.567 -7.463 -6.055 286 HG23 THR 59 HG23 THR 59 70.917 -6.779 -7.643 287 H LYS 60 H LYS 60 72.601 -6.284 -4.582 288 HA LYS 60 HA LYS 60 74.492 -4.498 -5.860 289 HB2 LYS 60 HB2 LYS 60 74.868 -7.083 -4.337 290 HB3 LYS 60 HB3 LYS 60 76.183 -6.070 -4.933 291 HG2 LYS 60 HG2 LYS 60 75.263 -4.168 -3.603 292 HG3 LYS 60 HG3 LYS 60 74.055 -5.265 -2.930 293 HD2 LYS 60 HD2 LYS 60 75.902 -6.731 -2.104 294 HD3 LYS 60 HD3 LYS 60 77.064 -5.531 -2.669 295 HE2 LYS 60 HE2 LYS 60 75.699 -3.856 -1.225 296 HE3 LYS 60 HE3 LYS 60 75.055 -5.297 -0.439 297 HZ1 LYS 60 HZ1 LYS 60 76.984 -4.534 0.738 298 HZ2 LYS 60 HZ2 LYS 60 77.915 -4.541 -0.683 299 HZ3 LYS 60 HZ3 LYS 60 77.356 -6.003 -0.023 300 H LYS 61 H LYS 61 76.122 -5.252 -7.382 301 HA LYS 61 HA LYS 61 75.185 -6.663 -9.594 302 HB2 LYS 61 HB2 LYS 61 78.028 -6.288 -8.633 303 HB3 LYS 61 HB3 LYS 61 77.584 -6.880 -10.234 304 HG2 LYS 61 HG2 LYS 61 76.279 -4.786 -10.605 305 HG3 LYS 61 HG3 LYS 61 76.855 -4.186 -9.049 306 HD2 LYS 61 HD2 LYS 61 79.202 -4.452 -9.862 307 HD3 LYS 61 HD3 LYS 61 78.567 -4.913 -11.443 308 HE2 LYS 61 HE2 LYS 61 77.502 -2.758 -11.717 309 HE3 LYS 61 HE3 LYS 61 77.909 -2.297 -10.064 310 HZ1 LYS 61 HZ1 LYS 61 80.313 -2.916 -11.006 311 HZ2 LYS 61 HZ2 LYS 61 79.660 -1.350 -11.080 312 HZ3 LYS 61 HZ3 LYS 61 79.583 -2.370 -12.436 313 H ASP 62 H ASP 62 76.630 -7.895 -6.635 314 HA ASP 62 HA ASP 62 77.161 -10.519 -7.722 315 HB2 ASP 62 HB2 ASP 62 78.501 -9.428 -5.902 316 HB3 ASP 62 HB3 ASP 62 77.127 -9.674 -4.826 317 H SER 63 H SER 63 74.249 -9.271 -7.312 318 HA SER 63 HA SER 63 72.182 -10.215 -7.171 319 HB2 SER 63 HB2 SER 63 73.439 -12.861 -6.476 320 HB3 SER 63 HB3 SER 63 71.868 -12.553 -7.207 321 HG SER 63 HG SER 63 73.642 -13.127 -8.642 322 H ASN 64 H ASN 64 74.306 -10.045 -4.549 323 HA ASN 64 HA ASN 64 72.562 -11.091 -2.528 324 HB2 ASN 64 HB2 ASN 64 74.878 -9.150 -2.367 325 HB3 ASN 64 HB3 ASN 64 74.058 -9.848 -0.973 326 HD21 ASN 64 HD21 ASN 64 76.865 -10.298 -1.557 327 HD22 ASN 64 HD22 ASN 64 77.057 -11.951 -1.891 328 H ARG 65 H ARG 65 71.032 -10.017 -1.294 329 HA ARG 65 HA ARG 65 70.304 -7.304 -2.246 330 HB2 ARG 65 HB2 ARG 65 68.576 -9.493 -1.075 331 HB3 ARG 65 HB3 ARG 65 68.010 -7.886 -1.532 332 HG2 ARG 65 HG2 ARG 65 68.806 -8.303 -3.858 333 HG3 ARG 65 HG3 ARG 65 69.250 -9.944 -3.382 334 HD2 ARG 65 HD2 ARG 65 66.859 -10.293 -2.660 335 HD3 ARG 65 HD3 ARG 65 66.476 -8.730 -3.374 336 HE ARG 65 HE ARG 65 67.749 -10.111 -5.378 337 HH11 ARG 65 HH11 ARG 65 64.916 -10.745 -3.405 338 HH12 ARG 65 HH12 ARG 65 64.144 -11.685 -4.638 339 HH21 ARG 65 HH21 ARG 65 66.706 -11.330 -6.928 340 HH22 ARG 65 HH22 ARG 65 65.146 -12.011 -6.607 341 H TYR 66 H TYR 66 69.788 -5.708 -0.803 342 HA TYR 66 HA TYR 66 69.641 -6.308 2.037 343 HB2 TYR 66 HB2 TYR 66 71.408 -4.887 2.732 344 HB3 TYR 66 HB3 TYR 66 72.062 -5.998 1.551 345 HD1 TYR 66 HD1 TYR 66 71.150 -2.502 2.260 346 HD2 TYR 66 HD2 TYR 66 72.850 -5.201 -0.617 347 HE1 TYR 66 HE1 TYR 66 72.079 -0.577 1.006 348 HE2 TYR 66 HE2 TYR 66 73.775 -3.273 -1.874 349 HH TYR 66 HH TYR 66 74.389 -0.871 -1.311 350 H THR 67 H THR 67 69.096 -4.362 3.320 351 HA THR 67 HA THR 67 67.600 -2.359 1.735 352 HB THR 67 HB THR 67 66.729 -3.573 4.370 353 HG1 THR 67 HG1 THR 67 65.649 -4.909 3.189 354 HG21 THR 67 HG21 THR 67 65.911 -1.321 4.138 355 HG22 THR 67 HG22 THR 67 64.577 -2.404 3.740 356 HG23 THR 67 HG23 THR 67 65.472 -1.597 2.452 357 H THR 68 H THR 68 67.898 -0.274 2.328 358 HA THR 68 HA THR 68 69.445 0.243 4.812 359 HB THR 68 HB THR 68 70.914 0.422 2.857 360 HG1 THR 68 HG1 THR 68 71.621 2.415 3.409 361 HG21 THR 68 HG21 THR 68 69.252 0.956 1.148 362 HG22 THR 68 HG22 THR 68 70.486 2.216 1.188 363 HG23 THR 68 HG23 THR 68 68.911 2.500 1.929 364 H TYR 69 H TYR 69 68.931 2.045 5.980 365 HA TYR 69 HA TYR 69 66.447 3.435 5.187 366 HB2 TYR 69 HB2 TYR 69 67.809 3.300 7.880 367 HB3 TYR 69 HB3 TYR 69 66.264 4.054 7.541 368 HD1 TYR 69 HD1 TYR 69 68.063 0.880 7.979 369 HD2 TYR 69 HD2 TYR 69 64.260 2.702 7.158 370 HE1 TYR 69 HE1 TYR 69 66.929 -1.277 8.442 371 HE2 TYR 69 HE2 TYR 69 63.127 0.545 7.620 372 HH TYR 69 HH TYR 69 63.967 -1.659 9.143 373 H ILE 70 H ILE 70 66.417 5.642 4.886 374 HA ILE 70 HA ILE 70 69.002 7.009 4.962 375 HB ILE 70 HB ILE 70 66.381 8.117 3.955 376 HG12 ILE 70 HG12 ILE 70 68.558 6.791 2.309 377 HG13 ILE 70 HG13 ILE 70 67.061 5.979 2.768 378 HG21 ILE 70 HG21 ILE 70 68.472 9.557 4.512 379 HG22 ILE 70 HG22 ILE 70 67.701 9.779 2.941 380 HG23 ILE 70 HG23 ILE 70 69.175 8.817 3.074 381 HD11 ILE 70 HD11 ILE 70 65.959 8.181 1.745 382 HD12 ILE 70 HD12 ILE 70 66.427 6.834 0.712 383 HD13 ILE 70 HD13 ILE 70 67.480 8.240 0.854 384 HA PRO 71 HA PRO 71 67.505 8.601 9.004 385 HB2 PRO 71 HB2 PRO 71 69.581 10.496 9.267 386 HB3 PRO 71 HB3 PRO 71 69.546 8.863 9.950 387 HG2 PRO 71 HG2 PRO 71 70.908 9.866 7.536 388 HG3 PRO 71 HG3 PRO 71 71.360 8.553 8.636 389 HD2 PRO 71 HD2 PRO 71 70.346 8.079 6.163 390 HD3 PRO 71 HD3 PRO 71 70.053 6.986 7.527 391 H VAL 72 H VAL 72 68.707 10.757 6.435 392 HA VAL 72 HA VAL 72 66.257 12.343 6.717 393 HB VAL 72 HB VAL 72 68.003 13.546 7.980 394 HG11 VAL 72 HG11 VAL 72 70.009 14.356 6.897 395 HG12 VAL 72 HG12 VAL 72 69.490 13.699 5.344 396 HG13 VAL 72 HG13 VAL 72 69.928 12.610 6.661 397 HG21 VAL 72 HG21 VAL 72 67.777 15.692 6.846 398 HG22 VAL 72 HG22 VAL 72 66.271 14.791 6.675 399 HG23 VAL 72 HG23 VAL 72 67.401 14.883 5.324 400 H GLN 73 H GLN 73 65.482 13.161 4.772 401 HA GLN 73 HA GLN 73 66.110 11.694 2.463 402 HB2 GLN 73 HB2 GLN 73 64.683 14.349 2.745 403 HB3 GLN 73 HB3 GLN 73 64.712 13.379 1.271 404 HG2 GLN 73 HG2 GLN 73 63.647 11.514 2.435 405 HG3 GLN 73 HG3 GLN 73 63.686 12.407 3.953 406 HE21 GLN 73 HE21 GLN 73 61.223 11.474 2.830 407 HE22 GLN 73 HE22 GLN 73 60.307 12.824 2.360 408 H ASP 74 H ASP 74 67.576 11.932 0.901 409 HA ASP 74 HA ASP 74 69.237 14.389 0.889 410 HB2 ASP 74 HB2 ASP 74 70.164 12.010 1.608 411 HB3 ASP 74 HB3 ASP 74 70.286 11.784 -0.133 412 HA PRO 75 HA PRO 75 67.103 14.204 -3.238 413 HB2 PRO 75 HB2 PRO 75 68.057 17.032 -3.230 414 HB3 PRO 75 HB3 PRO 75 66.467 16.377 -3.673 415 HG2 PRO 75 HG2 PRO 75 66.773 17.652 -1.393 416 HG3 PRO 75 HG3 PRO 75 65.789 16.175 -1.466 417 HD2 PRO 75 HD2 PRO 75 68.602 16.501 -0.447 418 HD3 PRO 75 HD3 PRO 75 67.261 15.552 0.241 419 H LYS 76 H LYS 76 70.268 15.375 -2.278 420 HA LYS 76 HA LYS 76 71.425 15.657 -4.857 421 HB2 LYS 76 HB2 LYS 76 72.397 16.592 -2.761 422 HB3 LYS 76 HB3 LYS 76 72.808 14.953 -2.257 423 HG2 LYS 76 HG2 LYS 76 74.164 14.687 -4.329 424 HG3 LYS 76 HG3 LYS 76 73.813 16.365 -4.745 425 HD2 LYS 76 HD2 LYS 76 74.823 17.061 -2.558 426 HD3 LYS 76 HD3 LYS 76 75.297 15.383 -2.293 427 HE2 LYS 76 HE2 LYS 76 76.378 15.611 -4.682 428 HE3 LYS 76 HE3 LYS 76 76.322 17.338 -4.327 429 HZ1 LYS 76 HZ1 LYS 76 77.607 17.010 -2.374 430 HZ2 LYS 76 HZ2 LYS 76 78.408 16.206 -3.638 431 HZ3 LYS 76 HZ3 LYS 76 77.506 15.322 -2.502 432 H LEU 77 H LEU 77 70.864 12.860 -2.815 433 HA LEU 77 HA LEU 77 72.807 11.121 -3.832 434 HB2 LEU 77 HB2 LEU 77 71.378 10.673 -1.841 435 HB3 LEU 77 HB3 LEU 77 70.013 10.395 -2.922 436 HG LEU 77 HG LEU 77 71.414 8.623 -4.073 437 HD11 LEU 77 HD11 LEU 77 73.187 9.246 -1.701 438 HD12 LEU 77 HD12 LEU 77 73.630 9.233 -3.408 439 HD13 LEU 77 HD13 LEU 77 73.277 7.718 -2.576 440 HD21 LEU 77 HD21 LEU 77 71.084 6.960 -2.229 441 HD22 LEU 77 HD22 LEU 77 69.676 7.992 -2.482 442 HD23 LEU 77 HD23 LEU 77 70.762 8.298 -1.127 443 H LEU 78 H LEU 78 69.621 11.997 -5.093 444 HA LEU 78 HA LEU 78 69.339 9.914 -6.968 445 HB2 LEU 78 HB2 LEU 78 68.346 12.768 -7.190 446 HB3 LEU 78 HB3 LEU 78 67.735 11.381 -8.091 447 HG LEU 78 HG LEU 78 67.681 11.634 -5.070 448 HD11 LEU 78 HD11 LEU 78 65.234 11.916 -5.393 449 HD12 LEU 78 HD12 LEU 78 65.483 11.942 -7.139 450 HD13 LEU 78 HD13 LEU 78 66.148 13.230 -6.134 451 HD21 LEU 78 HD21 LEU 78 65.958 9.713 -5.495 452 HD22 LEU 78 HD22 LEU 78 67.679 9.329 -5.536 453 HD23 LEU 78 HD23 LEU 78 66.785 9.540 -7.043 454 H ASP 79 H ASP 79 70.731 13.169 -7.298 455 HA ASP 79 HA ASP 79 71.347 12.995 -10.040 456 HB2 ASP 79 HB2 ASP 79 71.350 15.093 -8.661 457 HB3 ASP 79 HB3 ASP 79 72.873 14.563 -7.952 458 H ASN 80 H ASN 80 73.220 12.098 -7.169 459 HA ASN 80 HA ASN 80 75.651 11.535 -8.448 460 HB2 ASN 80 HB2 ASN 80 75.171 11.638 -5.945 461 HB3 ASN 80 HB3 ASN 80 74.559 9.992 -6.095 462 HD21 ASN 80 HD21 ASN 80 76.129 8.482 -5.563 463 HD22 ASN 80 HD22 ASN 80 77.791 8.653 -5.864 464 H LEU 81 H LEU 81 72.921 9.348 -7.715 465 HA LEU 81 HA LEU 81 74.072 7.004 -8.745 466 HB2 LEU 81 HB2 LEU 81 71.147 7.784 -8.676 467 HB3 LEU 81 HB3 LEU 81 71.772 6.149 -8.887 468 HG LEU 81 HG LEU 81 72.315 7.894 -6.467 469 HD11 LEU 81 HD11 LEU 81 70.808 6.197 -5.336 470 HD12 LEU 81 HD12 LEU 81 70.351 5.638 -6.945 471 HD13 LEU 81 HD13 LEU 81 69.984 7.290 -6.448 472 HD21 LEU 81 HD21 LEU 81 74.095 6.355 -6.630 473 HD22 LEU 81 HD22 LEU 81 73.054 5.085 -7.275 474 HD23 LEU 81 HD23 LEU 81 72.947 5.533 -5.573 475 H LEU 82 H LEU 82 72.317 9.614 -10.376 476 HA LEU 82 HA LEU 82 72.050 8.222 -12.855 477 HB2 LEU 82 HB2 LEU 82 72.111 11.206 -12.318 478 HB3 LEU 82 HB3 LEU 82 71.594 10.452 -13.824 479 HG LEU 82 HG LEU 82 70.312 9.941 -11.125 480 HD11 LEU 82 HD11 LEU 82 69.244 11.553 -13.459 481 HD12 LEU 82 HD12 LEU 82 70.008 12.277 -12.044 482 HD13 LEU 82 HD13 LEU 82 68.508 11.366 -11.867 483 HD21 LEU 82 HD21 LEU 82 69.805 9.001 -13.942 484 HD22 LEU 82 HD22 LEU 82 68.479 9.090 -12.783 485 HD23 LEU 82 HD23 LEU 82 69.867 8.053 -12.456 486 H THR 83 H THR 83 74.511 10.503 -11.646 487 HA THR 83 HA THR 83 76.045 10.632 -13.987 488 HB THR 83 HB THR 83 77.082 10.719 -11.147 489 HG1 THR 83 HG1 THR 83 76.423 12.757 -11.176 490 HG21 THR 83 HG21 THR 83 78.673 12.378 -12.304 491 HG22 THR 83 HG22 THR 83 78.101 11.683 -13.821 492 HG23 THR 83 HG23 THR 83 78.926 10.665 -12.640 493 H LYS 84 H LYS 84 75.949 8.174 -11.469 494 HA LYS 84 HA LYS 84 78.256 6.773 -12.530 495 HB2 LYS 84 HB2 LYS 84 76.311 6.064 -10.331 496 HB3 LYS 84 HB3 LYS 84 77.696 5.069 -10.789 497 HG2 LYS 84 HG2 LYS 84 79.189 7.027 -10.382 498 HG3 LYS 84 HG3 LYS 84 77.791 7.936 -9.807 499 HD2 LYS 84 HD2 LYS 84 77.414 6.187 -8.069 500 HD3 LYS 84 HD3 LYS 84 78.890 5.381 -8.602 501 HE2 LYS 84 HE2 LYS 84 78.705 8.210 -7.526 502 HE3 LYS 84 HE3 LYS 84 79.362 6.818 -6.665 503 HZ1 LYS 84 HZ1 LYS 84 81.130 8.096 -7.655 504 HZ2 LYS 84 HZ2 LYS 84 80.412 7.977 -9.190 505 HZ3 LYS 84 HZ3 LYS 84 81.023 6.588 -8.425 506 H ASN 85 H ASN 85 75.184 6.970 -13.706 507 HA ASN 85 HA ASN 85 73.898 5.679 -15.073 508 HB2 ASN 85 HB2 ASN 85 76.440 4.066 -15.407 509 HB3 ASN 85 HB3 ASN 85 75.035 4.031 -16.466 510 HD21 ASN 85 HD21 ASN 85 77.974 5.040 -16.811 511 HD22 ASN 85 HD22 ASN 85 77.768 6.578 -17.499 512 H VAL 86 H VAL 86 73.736 5.149 -12.317 513 HA VAL 86 HA VAL 86 73.441 2.234 -12.144 514 HB VAL 86 HB VAL 86 72.957 4.364 -10.043 515 HG11 VAL 86 HG11 VAL 86 73.162 1.340 -9.898 516 HG12 VAL 86 HG12 VAL 86 71.724 2.310 -9.581 517 HG13 VAL 86 HG13 VAL 86 73.110 2.406 -8.494 518 HG21 VAL 86 HG21 VAL 86 75.334 4.184 -10.849 519 HG22 VAL 86 HG22 VAL 86 75.314 2.484 -10.381 520 HG23 VAL 86 HG23 VAL 86 75.130 3.738 -9.154 521 H LYS 87 H LYS 87 71.426 1.223 -11.925 522 HA LYS 87 HA LYS 87 69.270 2.550 -13.261 523 HB2 LYS 87 HB2 LYS 87 69.683 0.090 -13.395 524 HB3 LYS 87 HB3 LYS 87 69.212 -0.048 -11.702 525 HG2 LYS 87 HG2 LYS 87 67.244 -0.560 -12.932 526 HG3 LYS 87 HG3 LYS 87 67.017 1.099 -12.383 527 HD2 LYS 87 HD2 LYS 87 67.741 1.952 -14.560 528 HD3 LYS 87 HD3 LYS 87 68.069 0.311 -15.115 529 HE2 LYS 87 HE2 LYS 87 65.617 -0.199 -14.603 530 HE3 LYS 87 HE3 LYS 87 65.393 1.543 -14.441 531 HZ1 LYS 87 HZ1 LYS 87 66.359 0.081 -16.836 532 HZ2 LYS 87 HZ2 LYS 87 66.357 1.774 -16.692 533 HZ3 LYS 87 HZ3 LYS 87 64.891 0.915 -16.672 534 H VAL 88 H VAL 88 67.501 3.552 -12.439 535 HA VAL 88 HA VAL 88 67.202 3.614 -9.493 536 HB VAL 88 HB VAL 88 66.970 6.006 -11.341 537 HG11 VAL 88 HG11 VAL 88 66.856 7.240 -9.154 538 HG12 VAL 88 HG12 VAL 88 66.741 5.682 -8.334 539 HG13 VAL 88 HG13 VAL 88 65.468 6.190 -9.443 540 HG21 VAL 88 HG21 VAL 88 68.965 6.732 -9.804 541 HG22 VAL 88 HG22 VAL 88 69.284 5.656 -11.165 542 HG23 VAL 88 HG23 VAL 88 69.158 4.999 -9.533 543 H VAL 89 H VAL 89 65.210 3.269 -8.796 544 HA VAL 89 HA VAL 89 62.960 3.497 -10.724 545 HB VAL 89 HB VAL 89 63.161 1.533 -8.429 546 HG11 VAL 89 HG11 VAL 89 60.880 2.158 -9.076 547 HG12 VAL 89 HG12 VAL 89 61.219 0.498 -9.566 548 HG13 VAL 89 HG13 VAL 89 61.244 1.793 -10.762 549 HG21 VAL 89 HG21 VAL 89 64.743 0.662 -9.911 550 HG22 VAL 89 HG22 VAL 89 63.908 1.291 -11.333 551 HG23 VAL 89 HG23 VAL 89 63.263 -0.112 -10.479 552 H GLY 90 H GLY 90 61.286 4.762 -10.071 553 HA2 GLY 90 HA2 GLY 90 61.307 5.717 -7.264 554 HA3 GLY 90 HA3 GLY 90 60.636 6.603 -8.629 555 H GLU 91 H GLU 91 59.689 5.106 -5.951 556 HA GLU 91 HA GLU 91 57.020 4.673 -7.020 557 HB2 GLU 91 HB2 GLU 91 58.719 2.465 -5.903 558 HB3 GLU 91 HB3 GLU 91 56.969 2.430 -5.684 559 HG2 GLU 91 HG2 GLU 91 56.919 2.939 -8.262 560 HG3 GLU 91 HG3 GLU 91 58.559 2.292 -8.228 561 HA PRO 92 HA PRO 92 57.231 6.788 -2.919 562 HB2 PRO 92 HB2 PRO 92 54.677 7.921 -3.180 563 HB3 PRO 92 HB3 PRO 92 56.212 8.709 -3.580 564 HG2 PRO 92 HG2 PRO 92 54.248 7.394 -5.356 565 HG3 PRO 92 HG3 PRO 92 55.293 8.794 -5.655 566 HD2 PRO 92 HD2 PRO 92 55.828 6.355 -6.699 567 HD3 PRO 92 HD3 PRO 92 57.118 7.489 -6.239 568 HA PRO 93 HA PRO 93 55.123 3.538 -0.746 569 HB2 PRO 93 HB2 PRO 93 54.305 5.599 1.261 570 HB3 PRO 93 HB3 PRO 93 55.125 4.043 1.510 571 HG2 PRO 93 HG2 PRO 93 56.488 6.284 1.672 572 HG3 PRO 93 HG3 PRO 93 57.184 4.872 0.851 573 HD2 PRO 93 HD2 PRO 93 55.988 7.344 -0.363 574 HD3 PRO 93 HD3 PRO 93 57.412 6.407 -0.875 575 H GLU 94 H GLU 94 53.119 2.637 -0.749 576 HA GLU 94 HA GLU 94 50.759 4.410 -0.940 577 HB2 GLU 94 HB2 GLU 94 51.244 1.825 -2.446 578 HB3 GLU 94 HB3 GLU 94 49.733 2.736 -2.453 579 HG2 GLU 94 HG2 GLU 94 52.418 3.802 -3.367 580 HG3 GLU 94 HG3 GLU 94 51.130 3.257 -4.433 581 H GLU 95 H GLU 95 51.709 3.516 1.460 582 HA GLU 95 HA GLU 95 49.759 1.428 2.229 583 HB2 GLU 95 HB2 GLU 95 52.620 1.735 3.166 584 HB3 GLU 95 HB3 GLU 95 51.439 0.660 3.917 585 HG2 GLU 95 HG2 GLU 95 51.977 0.521 0.957 586 HG3 GLU 95 HG3 GLU 95 53.016 -0.327 2.101 587 HA PRO 96 HA PRO 96 48.980 5.330 4.632 588 HB2 PRO 96 HB2 PRO 96 46.344 3.986 4.964 589 HB3 PRO 96 HB3 PRO 96 46.710 5.663 4.516 590 HG2 PRO 96 HG2 PRO 96 45.828 3.905 2.727 591 HG3 PRO 96 HG3 PRO 96 47.017 5.151 2.304 592 HD2 PRO 96 HD2 PRO 96 47.444 2.226 2.759 593 HD3 PRO 96 HD3 PRO 96 48.264 3.325 1.627 594 H LEU 97 H LEU 97 49.465 5.470 6.741 595 HA LEU 97 HA LEU 97 49.790 3.159 8.383 596 HB2 LEU 97 HB2 LEU 97 49.768 6.084 9.161 597 HB3 LEU 97 HB3 LEU 97 50.389 4.757 10.140 598 HG LEU 97 HG LEU 97 51.436 5.510 7.395 599 HD11 LEU 97 HD11 LEU 97 52.326 6.180 10.197 600 HD12 LEU 97 HD12 LEU 97 52.140 7.257 8.814 601 HD13 LEU 97 HD13 LEU 97 53.486 6.120 8.871 602 HD21 LEU 97 HD21 LEU 97 53.368 4.020 8.320 603 HD22 LEU 97 HD22 LEU 97 51.921 3.225 7.701 604 HD23 LEU 97 HD23 LEU 97 52.149 3.411 9.439 605 H GLU 98 H GLU 98 47.254 5.581 8.054 606 HA GLU 98 HA GLU 98 45.932 5.238 10.487 607 HB2 GLU 98 HB2 GLU 98 44.794 5.889 7.761 608 HB3 GLU 98 HB3 GLU 98 43.929 6.084 9.286 609 HG2 GLU 98 HG2 GLU 98 45.730 7.604 10.081 610 HG3 GLU 98 HG3 GLU 98 46.519 7.457 8.517 611 H HIS 99 H HIS 99 45.790 3.279 7.548 612 HA HIS 99 HA HIS 99 43.497 1.776 8.100 613 HB2 HIS 99 HB2 HIS 99 44.746 1.707 5.970 614 HB3 HIS 99 HB3 HIS 99 46.047 0.850 6.774 615 HD1 HIS 99 HD1 HIS 99 42.288 0.377 6.269 616 HD2 HIS 99 HD2 HIS 99 45.793 -1.872 6.471 617 HE1 HIS 99 HE1 HIS 99 41.623 -2.024 5.825 618 H HIS 100 H HIS 100 46.831 1.375 9.236 619 HA HIS 100 HA HIS 100 46.544 -1.168 10.398 620 HB2 HIS 100 HB2 HIS 100 48.342 1.146 11.106 621 HB3 HIS 100 HB3 HIS 100 48.466 -0.437 11.850 622 HD1 HIS 100 HD1 HIS 100 49.040 1.376 8.609 623 HD2 HIS 100 HD2 HIS 100 49.667 -2.419 10.216 624 HE1 HIS 100 HE1 HIS 100 50.534 0.146 6.977 625 H HIS 101 H HIS 101 45.715 -1.888 12.267 626 HA HIS 101 HA HIS 101 44.138 -0.220 13.964 627 HB2 HIS 101 HB2 HIS 101 43.698 -2.622 13.652 628 HB3 HIS 101 HB3 HIS 101 45.223 -3.001 14.428 629 HD1 HIS 101 HD1 HIS 101 42.012 -1.117 15.284 630 HD2 HIS 101 HD2 HIS 101 44.918 -3.472 17.124 631 HE1 HIS 101 HE1 HIS 101 41.266 -1.428 17.682 632 H HIS 102 H HIS 102 47.379 -1.627 14.202 633 HA HIS 102 HA HIS 102 48.004 -0.960 16.832 634 HB2 HIS 102 HB2 HIS 102 49.793 -1.026 14.402 635 HB3 HIS 102 HB3 HIS 102 50.366 -0.952 16.057 636 HD1 HIS 102 HD1 HIS 102 48.879 -3.263 13.526 637 HD2 HIS 102 HD2 HIS 102 50.097 -3.407 17.510 638 HE1 HIS 102 HE1 HIS 102 48.947 -5.711 14.165 639 H HIS 103 H HIS 103 48.058 1.049 13.924 640 HA HIS 103 HA HIS 103 49.561 3.204 14.866 641 HB2 HIS 103 HB2 HIS 103 48.816 2.903 12.529 642 HB3 HIS 103 HB3 HIS 103 47.177 3.290 13.017 643 HD1 HIS 103 HD1 HIS 103 50.622 4.930 13.226 644 HD2 HIS 103 HD2 HIS 103 46.622 5.962 12.663 645 HE1 HIS 103 HE1 HIS 103 50.578 7.428 12.819 646 H HIS 104 H HIS 104 46.176 2.391 15.449 647 HA HIS 104 HA HIS 104 45.288 4.846 16.466 648 HB2 HIS 104 HB2 HIS 104 43.834 2.902 15.959 649 HB3 HIS 104 HB3 HIS 104 44.485 2.076 17.362 650 HD1 HIS 104 HD1 HIS 104 42.745 5.397 16.625 651 HD2 HIS 104 HD2 HIS 104 42.911 2.466 19.585 652 HE1 HIS 104 HE1 HIS 104 41.074 6.078 18.399 Start of MODEL 3 1 H1 MET 23 HT1 MET 23 58.112 -14.954 -1.905 2 H2 MET 23 HT2 MET 23 58.273 -16.645 -1.858 3 H3 MET 23 HT3 MET 23 56.732 -15.939 -1.976 4 HA MET 23 HA MET 23 57.186 -16.661 -4.133 5 HB2 MET 23 HB2 MET 23 58.071 -13.764 -3.942 6 HB3 MET 23 HB3 MET 23 57.462 -14.558 -5.391 7 HG2 MET 23 HG2 MET 23 55.919 -14.137 -2.813 8 HG3 MET 23 HG3 MET 23 55.682 -13.248 -4.314 9 HE1 MET 23 HE1 MET 23 56.047 -15.643 -6.519 10 HE2 MET 23 HE2 MET 23 55.044 -14.196 -6.475 11 HE3 MET 23 HE3 MET 23 54.303 -15.764 -6.786 12 H ALA 24 H ALA 24 58.834 -15.882 -6.074 13 HA ALA 24 HA ALA 24 61.175 -17.389 -5.651 14 HB1 ALA 24 HB1 ALA 24 61.914 -16.327 -7.831 15 HB2 ALA 24 HB2 ALA 24 60.415 -15.398 -7.790 16 HB3 ALA 24 HB3 ALA 24 60.360 -17.158 -7.880 17 H SER 25 H SER 25 60.561 -13.912 -5.451 18 HA SER 25 HA SER 25 63.349 -13.526 -4.511 19 HB2 SER 25 HB2 SER 25 61.524 -11.527 -5.870 20 HB3 SER 25 HB3 SER 25 63.162 -11.214 -5.306 21 HG SER 25 HG SER 25 62.939 -11.833 -7.542 22 H GLU 26 H GLU 26 63.681 -12.316 -2.664 23 HA GLU 26 HA GLU 26 61.258 -11.574 -1.121 24 HB2 GLU 26 HB2 GLU 26 63.839 -12.778 -0.095 25 HB3 GLU 26 HB3 GLU 26 62.501 -12.226 0.913 26 HG2 GLU 26 HG2 GLU 26 60.998 -13.830 -0.257 27 HG3 GLU 26 HG3 GLU 26 62.377 -14.421 -1.173 28 H SER 27 H SER 27 61.169 -9.497 -0.594 29 HA SER 27 HA SER 27 63.136 -7.598 -1.197 30 HB2 SER 27 HB2 SER 27 60.734 -7.089 -0.811 31 HB3 SER 27 HB3 SER 27 60.976 -7.380 0.908 32 HG SER 27 HG SER 27 62.077 -5.394 -0.694 33 H ASN 28 H ASN 28 62.727 -9.580 1.673 34 HA ASN 28 HA ASN 28 64.180 -8.084 3.535 35 HB2 ASN 28 HB2 ASN 28 63.992 -11.090 3.228 36 HB3 ASN 28 HB3 ASN 28 64.594 -10.256 4.658 37 HD21 ASN 28 HD21 ASN 28 62.235 -11.982 4.623 38 HD22 ASN 28 HD22 ASN 28 60.902 -11.009 5.019 39 H GLY 29 H GLY 29 66.341 -8.010 4.112 40 HA2 GLY 29 HA2 GLY 29 68.356 -9.584 2.813 41 HA3 GLY 29 HA3 GLY 29 68.297 -7.942 2.181 42 H ARG 30 H ARG 30 70.595 -8.320 3.191 43 HA ARG 30 HA ARG 30 70.963 -8.221 5.998 44 HB2 ARG 30 HB2 ARG 30 72.730 -7.043 3.836 45 HB3 ARG 30 HB3 ARG 30 73.216 -7.414 5.490 46 HG2 ARG 30 HG2 ARG 30 72.173 -9.476 3.529 47 HG3 ARG 30 HG3 ARG 30 73.884 -9.176 3.829 48 HD2 ARG 30 HD2 ARG 30 73.486 -9.670 6.255 49 HD3 ARG 30 HD3 ARG 30 71.832 -10.117 5.850 50 HE ARG 30 HE ARG 30 74.231 -11.649 5.296 51 HH11 ARG 30 HH11 ARG 30 70.848 -11.198 4.478 52 HH12 ARG 30 HH12 ARG 30 70.684 -12.801 3.843 53 HH21 ARG 30 HH21 ARG 30 73.960 -13.701 4.468 54 HH22 ARG 30 HH22 ARG 30 72.426 -14.199 3.838 55 H LYS 31 H LYS 31 71.282 -6.470 7.414 56 HA LYS 31 HA LYS 31 69.884 -4.030 6.680 57 HB2 LYS 31 HB2 LYS 31 71.333 -4.831 9.219 58 HB3 LYS 31 HB3 LYS 31 70.429 -3.331 9.013 59 HG2 LYS 31 HG2 LYS 31 68.394 -4.672 8.477 60 HG3 LYS 31 HG3 LYS 31 69.311 -6.142 8.815 61 HD2 LYS 31 HD2 LYS 31 69.771 -5.280 11.113 62 HD3 LYS 31 HD3 LYS 31 68.733 -3.896 10.767 63 HE2 LYS 31 HE2 LYS 31 66.832 -5.402 10.366 64 HE3 LYS 31 HE3 LYS 31 67.862 -6.799 10.676 65 HZ1 LYS 31 HZ1 LYS 31 66.528 -6.096 12.615 66 HZ2 LYS 31 HZ2 LYS 31 67.369 -4.621 12.631 67 HZ3 LYS 31 HZ3 LYS 31 68.198 -6.077 12.912 68 H VAL 32 H VAL 32 70.788 -2.127 6.090 69 HA VAL 32 HA VAL 32 73.708 -1.800 6.415 70 HB VAL 32 HB VAL 32 72.151 -1.180 3.892 71 HG11 VAL 32 HG11 VAL 32 74.346 -0.660 2.942 72 HG12 VAL 32 HG12 VAL 32 75.127 -1.053 4.474 73 HG13 VAL 32 HG13 VAL 32 74.064 0.349 4.360 74 HG21 VAL 32 HG21 VAL 32 73.725 -2.985 2.974 75 HG22 VAL 32 HG22 VAL 32 72.412 -3.553 4.004 76 HG23 VAL 32 HG23 VAL 32 74.045 -3.416 4.654 77 H ASP 33 H ASP 33 74.259 0.057 7.289 78 HA ASP 33 HA ASP 33 72.401 2.166 7.830 79 HB2 ASP 33 HB2 ASP 33 75.418 2.028 8.065 80 HB3 ASP 33 HB3 ASP 33 74.429 3.341 8.694 81 H TYR 34 H TYR 34 72.356 4.283 6.931 82 HA TYR 34 HA TYR 34 72.601 4.485 4.167 83 HB2 TYR 34 HB2 TYR 34 71.225 6.008 5.446 84 HB3 TYR 34 HB3 TYR 34 72.628 6.644 6.278 85 HD1 TYR 34 HD1 TYR 34 72.289 5.936 2.625 86 HD2 TYR 34 HD2 TYR 34 72.540 8.932 5.692 87 HE1 TYR 34 HE1 TYR 34 72.524 7.695 0.893 88 HE2 TYR 34 HE2 TYR 34 72.763 10.691 3.958 89 HH TYR 34 HH TYR 34 72.667 11.084 1.720 90 H SER 35 H SER 35 74.968 5.302 6.681 91 HA SER 35 HA SER 35 76.824 6.654 5.065 92 HB2 SER 35 HB2 SER 35 77.417 4.854 7.426 93 HB3 SER 35 HB3 SER 35 78.464 6.114 6.780 94 HG SER 35 HG SER 35 76.914 7.582 7.397 95 H THR 36 H THR 36 76.422 3.200 5.754 96 HA THR 36 HA THR 36 78.775 2.349 4.389 97 HB THR 36 HB THR 36 76.245 0.767 4.897 98 HG1 THR 36 HG1 THR 36 77.286 1.738 6.737 99 HG21 THR 36 HG21 THR 36 79.111 0.029 4.280 100 HG22 THR 36 HG22 THR 36 77.663 -0.405 3.371 101 HG23 THR 36 HG23 THR 36 77.956 -1.120 4.956 102 H PHE 37 H PHE 37 75.391 2.730 3.399 103 HA PHE 37 HA PHE 37 75.581 1.608 0.851 104 HB2 PHE 37 HB2 PHE 37 73.452 2.218 1.835 105 HB3 PHE 37 HB3 PHE 37 73.893 3.912 1.826 106 HD1 PHE 37 HD2 PHE 37 72.794 1.051 -0.218 107 HD2 PHE 37 HD1 PHE 37 73.852 5.214 -0.234 108 HE1 PHE 37 HE2 PHE 37 71.817 1.295 -2.485 109 HE2 PHE 37 HE1 PHE 37 72.876 5.456 -2.500 110 HZ PHE 37 HZ PHE 37 71.856 3.495 -3.625 111 H LEU 38 H LEU 38 76.265 4.953 1.900 112 HA LEU 38 HA LEU 38 76.670 6.024 -0.664 113 HB2 LEU 38 HB2 LEU 38 77.930 6.835 1.968 114 HB3 LEU 38 HB3 LEU 38 77.934 7.808 0.496 115 HG LEU 38 HG LEU 38 75.411 6.817 1.852 116 HD11 LEU 38 HD11 LEU 38 76.223 8.361 3.406 117 HD12 LEU 38 HD12 LEU 38 75.270 9.395 2.341 118 HD13 LEU 38 HD13 LEU 38 77.025 9.333 2.172 119 HD21 LEU 38 HD21 LEU 38 76.036 8.628 -0.479 120 HD22 LEU 38 HD22 LEU 38 74.520 8.793 0.408 121 HD23 LEU 38 HD23 LEU 38 74.905 7.277 -0.407 122 H GLN 39 H GLN 39 78.951 4.493 1.587 123 HA GLN 39 HA GLN 39 81.281 4.921 0.049 124 HB2 GLN 39 HB2 GLN 39 81.262 4.118 2.414 125 HB3 GLN 39 HB3 GLN 39 80.695 2.549 1.839 126 HG2 GLN 39 HG2 GLN 39 82.706 2.311 0.448 127 HG3 GLN 39 HG3 GLN 39 83.270 3.894 0.971 128 HE21 GLN 39 HE21 GLN 39 84.996 1.825 1.474 129 HE22 GLN 39 HE22 GLN 39 84.992 1.414 3.121 130 H GLU 40 H GLU 40 78.943 2.255 0.046 131 HA GLU 40 HA GLU 40 80.290 0.607 -1.788 132 HB2 GLU 40 HB2 GLU 40 78.389 -0.075 -0.321 133 HB3 GLU 40 HB3 GLU 40 77.302 0.811 -1.393 134 HG2 GLU 40 HG2 GLU 40 78.093 -0.569 -3.298 135 HG3 GLU 40 HG3 GLU 40 79.111 -1.483 -2.194 136 H VAL 41 H VAL 41 77.867 3.147 -2.297 137 HA VAL 41 HA VAL 41 77.565 2.917 -5.059 138 HB VAL 41 HB VAL 41 77.519 5.411 -3.336 139 HG11 VAL 41 HG11 VAL 41 76.257 4.934 -6.051 140 HG12 VAL 41 HG12 VAL 41 77.729 5.869 -5.791 141 HG13 VAL 41 HG13 VAL 41 76.199 6.424 -5.109 142 HG21 VAL 41 HG21 VAL 41 75.125 3.903 -4.360 143 HG22 VAL 41 HG22 VAL 41 75.249 4.977 -2.968 144 HG23 VAL 41 HG23 VAL 41 75.940 3.359 -2.897 145 H ASN 42 H ASN 42 79.933 4.824 -3.193 146 HA ASN 42 HA ASN 42 81.326 5.941 -5.351 147 HB2 ASN 42 HB2 ASN 42 82.303 5.130 -2.606 148 HB3 ASN 42 HB3 ASN 42 83.236 6.103 -3.743 149 HD21 ASN 42 HD21 ASN 42 81.404 6.516 -1.060 150 HD22 ASN 42 HD22 ASN 42 80.706 8.023 -1.402 151 H ASN 43 H ASN 43 81.546 2.739 -3.913 152 HA ASN 43 HA ASN 43 83.865 2.008 -5.504 153 HB2 ASN 43 HB2 ASN 43 82.079 0.380 -3.691 154 HB3 ASN 43 HB3 ASN 43 83.515 -0.245 -4.497 155 HD21 ASN 43 HD21 ASN 43 83.211 -0.077 -1.601 156 HD22 ASN 43 HD22 ASN 43 84.387 1.007 -1.035 157 H ASP 44 H ASP 44 80.842 2.507 -6.535 158 HA ASP 44 HA ASP 44 79.522 1.710 -8.222 159 HB2 ASP 44 HB2 ASP 44 81.648 2.368 -9.379 160 HB3 ASP 44 HB3 ASP 44 82.148 0.679 -9.301 161 H GLN 45 H GLN 45 79.783 -0.109 -5.970 162 HA GLN 45 HA GLN 45 79.738 -2.742 -7.247 163 HB2 GLN 45 HB2 GLN 45 79.436 -1.945 -4.348 164 HB3 GLN 45 HB3 GLN 45 79.436 -3.604 -4.944 165 HG2 GLN 45 HG2 GLN 45 81.696 -1.614 -5.297 166 HG3 GLN 45 HG3 GLN 45 81.674 -2.934 -4.131 167 HE21 GLN 45 HE21 GLN 45 82.950 -2.163 -7.072 168 HE22 GLN 45 HE22 GLN 45 83.054 -3.712 -7.760 169 H VAL 46 H VAL 46 77.472 -0.310 -6.235 170 HA VAL 46 HA VAL 46 75.238 -2.143 -5.981 171 HB VAL 46 HB VAL 46 75.226 0.880 -6.210 172 HG11 VAL 46 HG11 VAL 46 73.171 -1.190 -5.424 173 HG12 VAL 46 HG12 VAL 46 73.033 0.078 -6.642 174 HG13 VAL 46 HG13 VAL 46 73.027 0.497 -4.928 175 HG21 VAL 46 HG21 VAL 46 75.592 -0.996 -3.884 176 HG22 VAL 46 HG22 VAL 46 74.790 0.556 -3.639 177 HG23 VAL 46 HG23 VAL 46 76.447 0.504 -4.243 178 H ARG 47 H ARG 47 73.697 -2.596 -7.515 179 HA ARG 47 HA ARG 47 74.297 -1.664 -10.253 180 HB2 ARG 47 HB2 ARG 47 74.324 -4.112 -9.812 181 HB3 ARG 47 HB3 ARG 47 72.627 -4.019 -9.344 182 HG2 ARG 47 HG2 ARG 47 72.099 -3.084 -11.600 183 HG3 ARG 47 HG3 ARG 47 73.785 -3.330 -12.060 184 HD2 ARG 47 HD2 ARG 47 71.888 -5.507 -11.134 185 HD3 ARG 47 HD3 ARG 47 72.360 -5.211 -12.805 186 HE ARG 47 HE ARG 47 74.621 -5.593 -11.069 187 HH11 ARG 47 HH11 ARG 47 72.194 -7.313 -12.934 188 HH12 ARG 47 HH12 ARG 47 73.176 -8.732 -13.089 189 HH21 ARG 47 HH21 ARG 47 75.838 -7.446 -11.302 190 HH22 ARG 47 HH22 ARG 47 75.213 -8.804 -12.176 191 H GLU 48 H GLU 48 71.582 -2.281 -8.036 192 HA GLU 48 HA GLU 48 69.976 -0.290 -9.522 193 HB2 GLU 48 HB2 GLU 48 69.361 -2.604 -10.227 194 HB3 GLU 48 HB3 GLU 48 68.948 -2.966 -8.550 195 HG2 GLU 48 HG2 GLU 48 67.313 -1.097 -8.576 196 HG3 GLU 48 HG3 GLU 48 67.682 -0.816 -10.273 197 H ALA 49 H ALA 49 68.699 1.007 -8.286 198 HA ALA 49 HA ALA 49 68.373 0.340 -5.428 199 HB1 ALA 49 HB1 ALA 49 68.771 3.190 -6.250 200 HB2 ALA 49 HB2 ALA 49 70.184 2.151 -6.066 201 HB3 ALA 49 HB3 ALA 49 69.099 2.413 -4.701 202 H ARG 50 H ARG 50 66.287 0.107 -5.081 203 HA ARG 50 HA ARG 50 64.309 1.670 -6.576 204 HB2 ARG 50 HB2 ARG 50 64.036 -0.553 -4.533 205 HB3 ARG 50 HB3 ARG 50 62.677 0.241 -5.323 206 HG2 ARG 50 HG2 ARG 50 63.610 -0.450 -7.535 207 HG3 ARG 50 HG3 ARG 50 64.888 -1.323 -6.689 208 HD2 ARG 50 HD2 ARG 50 63.088 -2.618 -5.483 209 HD3 ARG 50 HD3 ARG 50 61.911 -1.857 -6.549 210 HE ARG 50 HE ARG 50 62.591 -3.287 -8.229 211 HH11 ARG 50 HH11 ARG 50 65.084 -3.269 -5.757 212 HH12 ARG 50 HH12 ARG 50 65.985 -4.540 -6.514 213 HH21 ARG 50 HH21 ARG 50 63.795 -4.920 -9.157 214 HH22 ARG 50 HH22 ARG 50 65.263 -5.462 -8.415 215 H ILE 51 H ILE 51 63.187 3.343 -5.686 216 HA ILE 51 HA ILE 51 63.802 4.062 -2.885 217 HB ILE 51 HB ILE 51 62.951 5.813 -5.208 218 HG12 ILE 51 HG12 ILE 51 65.626 5.634 -3.794 219 HG13 ILE 51 HG13 ILE 51 65.273 4.847 -5.333 220 HG21 ILE 51 HG21 ILE 51 62.194 6.696 -3.043 221 HG22 ILE 51 HG22 ILE 51 63.506 7.683 -3.687 222 HG23 ILE 51 HG23 ILE 51 63.824 6.528 -2.391 223 HD11 ILE 51 HD11 ILE 51 66.305 6.926 -5.894 224 HD12 ILE 51 HD12 ILE 51 65.315 7.811 -4.733 225 HD13 ILE 51 HD13 ILE 51 64.582 7.150 -6.196 226 H ASN 52 H ASN 52 62.203 3.921 -1.467 227 HA ASN 52 HA ASN 52 59.471 4.620 -2.285 228 HB2 ASN 52 HB2 ASN 52 59.776 2.090 -2.192 229 HB3 ASN 52 HB3 ASN 52 60.058 2.280 -0.463 230 HD21 ASN 52 HD21 ASN 52 58.028 1.006 -0.121 231 HD22 ASN 52 HD22 ASN 52 56.524 1.775 -0.282 232 H GLY 53 H GLY 53 59.565 6.575 -1.220 233 HA2 GLY 53 HA2 GLY 53 59.521 8.046 0.550 234 HA3 GLY 53 HA3 GLY 53 59.138 6.657 1.564 235 H ARG 54 H ARG 54 60.487 6.652 3.240 236 HA ARG 54 HA ARG 54 63.160 7.743 3.089 237 HB2 ARG 54 HB2 ARG 54 61.636 7.898 5.106 238 HB3 ARG 54 HB3 ARG 54 61.946 6.183 5.371 239 HG2 ARG 54 HG2 ARG 54 64.353 6.617 5.544 240 HG3 ARG 54 HG3 ARG 54 64.082 8.330 5.215 241 HD2 ARG 54 HD2 ARG 54 64.288 8.084 7.602 242 HD3 ARG 54 HD3 ARG 54 62.589 8.389 7.249 243 HE ARG 54 HE ARG 54 63.380 5.586 7.416 244 HH11 ARG 54 HH11 ARG 54 61.975 8.327 9.100 245 HH12 ARG 54 HH12 ARG 54 61.203 7.329 10.287 246 HH21 ARG 54 HH21 ARG 54 62.363 4.353 8.970 247 HH22 ARG 54 HH22 ARG 54 61.421 5.106 10.213 248 H GLU 55 H GLU 55 61.836 4.626 2.468 249 HA GLU 55 HA GLU 55 64.314 3.265 3.281 250 HB2 GLU 55 HB2 GLU 55 62.113 2.366 4.038 251 HB3 GLU 55 HB3 GLU 55 61.692 2.077 2.349 252 HG2 GLU 55 HG2 GLU 55 63.716 0.642 2.126 253 HG3 GLU 55 HG3 GLU 55 64.041 0.874 3.838 254 H ILE 56 H ILE 56 65.712 2.433 1.826 255 HA ILE 56 HA ILE 56 64.903 2.362 -1.029 256 HB ILE 56 HB ILE 56 67.703 2.650 0.101 257 HG12 ILE 56 HG12 ILE 56 66.006 4.728 -1.315 258 HG13 ILE 56 HG13 ILE 56 66.219 4.666 0.436 259 HG21 ILE 56 HG21 ILE 56 66.705 3.012 -2.737 260 HG22 ILE 56 HG22 ILE 56 67.407 1.506 -2.147 261 HG23 ILE 56 HG23 ILE 56 68.379 2.976 -2.186 262 HD11 ILE 56 HD11 ILE 56 67.808 6.250 -0.650 263 HD12 ILE 56 HD12 ILE 56 68.486 4.909 -1.568 264 HD13 ILE 56 HD13 ILE 56 68.636 4.939 0.188 265 H ASN 57 H ASN 57 64.938 0.384 -1.968 266 HA ASN 57 HA ASN 57 66.231 -1.839 -0.493 267 HB2 ASN 57 HB2 ASN 57 64.172 -1.924 -2.723 268 HB3 ASN 57 HB3 ASN 57 64.827 -3.321 -1.872 269 HD21 ASN 57 HD21 ASN 57 64.753 -2.570 0.785 270 HD22 ASN 57 HD22 ASN 57 63.164 -2.208 1.258 271 H VAL 58 H VAL 58 68.016 -2.803 -1.402 272 HA VAL 58 HA VAL 58 68.875 -1.714 -4.027 273 HB VAL 58 HB VAL 58 70.625 -2.209 -1.616 274 HG11 VAL 58 HG11 VAL 58 72.022 -2.396 -3.483 275 HG12 VAL 58 HG12 VAL 58 72.140 -0.675 -3.121 276 HG13 VAL 58 HG13 VAL 58 71.088 -1.231 -4.422 277 HG21 VAL 58 HG21 VAL 58 69.826 0.469 -2.785 278 HG22 VAL 58 HG22 VAL 58 70.706 0.164 -1.288 279 HG23 VAL 58 HG23 VAL 58 68.999 -0.249 -1.402 280 H THR 59 H THR 59 69.758 -3.078 -5.440 281 HA THR 59 HA THR 59 70.392 -5.835 -4.552 282 HB THR 59 HB THR 59 69.620 -4.876 -7.323 283 HG1 THR 59 HG1 THR 59 67.984 -4.953 -5.647 284 HG21 THR 59 HG21 THR 59 69.255 -7.490 -7.451 285 HG22 THR 59 HG22 THR 59 70.442 -7.507 -6.146 286 HG23 THR 59 HG23 THR 59 70.858 -6.801 -7.708 287 H LYS 60 H LYS 60 72.471 -6.380 -4.643 288 HA LYS 60 HA LYS 60 74.415 -4.580 -5.820 289 HB2 LYS 60 HB2 LYS 60 74.682 -7.154 -4.259 290 HB3 LYS 60 HB3 LYS 60 76.048 -6.186 -4.815 291 HG2 LYS 60 HG2 LYS 60 75.290 -4.276 -3.526 292 HG3 LYS 60 HG3 LYS 60 73.817 -5.126 -3.061 293 HD2 LYS 60 HD2 LYS 60 75.403 -5.263 -1.221 294 HD3 LYS 60 HD3 LYS 60 75.226 -6.864 -1.940 295 HE2 LYS 60 HE2 LYS 60 77.342 -6.831 -2.879 296 HE3 LYS 60 HE3 LYS 60 77.385 -5.073 -2.993 297 HZ1 LYS 60 HZ1 LYS 60 77.446 -5.076 -0.496 298 HZ2 LYS 60 HZ2 LYS 60 78.843 -5.664 -1.266 299 HZ3 LYS 60 HZ3 LYS 60 77.731 -6.747 -0.575 300 H LYS 61 H LYS 61 76.076 -5.284 -7.299 301 HA LYS 61 HA LYS 61 75.231 -6.689 -9.549 302 HB2 LYS 61 HB2 LYS 61 78.038 -6.255 -8.511 303 HB3 LYS 61 HB3 LYS 61 77.651 -6.840 -10.129 304 HG2 LYS 61 HG2 LYS 61 76.304 -4.777 -10.515 305 HG3 LYS 61 HG3 LYS 61 76.822 -4.179 -8.939 306 HD2 LYS 61 HD2 LYS 61 79.195 -4.374 -9.689 307 HD3 LYS 61 HD3 LYS 61 78.618 -4.839 -11.290 308 HE2 LYS 61 HE2 LYS 61 77.305 -2.675 -11.338 309 HE3 LYS 61 HE3 LYS 61 78.161 -2.205 -9.869 310 HZ1 LYS 61 HZ1 LYS 61 79.516 -3.010 -12.383 311 HZ2 LYS 61 HZ2 LYS 61 80.233 -2.336 -10.998 312 HZ3 LYS 61 HZ3 LYS 61 79.193 -1.398 -11.961 313 H ASP 62 H ASP 62 76.649 -7.921 -6.575 314 HA ASP 62 HA ASP 62 77.242 -10.522 -7.698 315 HB2 ASP 62 HB2 ASP 62 78.502 -9.326 -5.813 316 HB3 ASP 62 HB3 ASP 62 77.177 -9.839 -4.770 317 H SER 63 H SER 63 74.316 -9.357 -7.315 318 HA SER 63 HA SER 63 72.269 -10.349 -7.181 319 HB2 SER 63 HB2 SER 63 73.515 -12.390 -8.071 320 HB3 SER 63 HB3 SER 63 73.568 -12.948 -6.402 321 HG SER 63 HG SER 63 71.461 -12.737 -8.109 322 H ASN 64 H ASN 64 74.362 -10.080 -4.542 323 HA ASN 64 HA ASN 64 72.618 -11.123 -2.518 324 HB2 ASN 64 HB2 ASN 64 74.849 -9.088 -2.306 325 HB3 ASN 64 HB3 ASN 64 74.091 -9.935 -0.959 326 HD21 ASN 64 HD21 ASN 64 73.917 -12.558 -1.980 327 HD22 ASN 64 HD22 ASN 64 75.480 -13.152 -2.266 328 H ARG 65 H ARG 65 71.068 -10.046 -1.311 329 HA ARG 65 HA ARG 65 70.336 -7.339 -2.279 330 HB2 ARG 65 HB2 ARG 65 68.613 -9.523 -1.088 331 HB3 ARG 65 HB3 ARG 65 68.043 -7.918 -1.552 332 HG2 ARG 65 HG2 ARG 65 68.831 -8.346 -3.878 333 HG3 ARG 65 HG3 ARG 65 69.279 -9.983 -3.396 334 HD2 ARG 65 HD2 ARG 65 66.891 -10.332 -2.663 335 HD3 ARG 65 HD3 ARG 65 66.503 -8.775 -3.389 336 HE ARG 65 HE ARG 65 67.065 -11.252 -4.783 337 HH11 ARG 65 HH11 ARG 65 66.942 -7.756 -5.086 338 HH12 ARG 65 HH12 ARG 65 66.762 -7.813 -6.808 339 HH21 ARG 65 HH21 ARG 65 66.832 -11.261 -7.001 340 HH22 ARG 65 HH22 ARG 65 66.701 -9.772 -7.877 341 H TYR 66 H TYR 66 69.815 -5.738 -0.826 342 HA TYR 66 HA TYR 66 69.715 -6.343 2.015 343 HB2 TYR 66 HB2 TYR 66 71.485 -4.919 2.689 344 HB3 TYR 66 HB3 TYR 66 72.128 -6.013 1.486 345 HD1 TYR 66 HD1 TYR 66 71.108 -2.534 2.190 346 HD2 TYR 66 HD2 TYR 66 72.963 -5.190 -0.632 347 HE1 TYR 66 HE1 TYR 66 71.991 -0.585 0.939 348 HE2 TYR 66 HE2 TYR 66 73.842 -3.240 -1.886 349 HH TYR 66 HH TYR 66 74.359 -0.792 -1.297 350 H THR 67 H THR 67 69.148 -4.427 3.315 351 HA THR 67 HA THR 67 67.568 -2.460 1.764 352 HB THR 67 HB THR 67 66.844 -3.680 4.443 353 HG1 THR 67 HG1 THR 67 66.368 -5.176 3.007 354 HG21 THR 67 HG21 THR 67 65.179 -1.964 2.586 355 HG22 THR 67 HG22 THR 67 66.082 -1.311 3.952 356 HG23 THR 67 HG23 THR 67 64.782 -2.469 4.229 357 H THR 68 H THR 68 67.805 -0.349 2.350 358 HA THR 68 HA THR 68 69.418 0.227 4.774 359 HB THR 68 HB THR 68 70.859 0.372 2.794 360 HG1 THR 68 HG1 THR 68 71.253 1.843 4.372 361 HG21 THR 68 HG21 THR 68 68.848 2.435 1.852 362 HG22 THR 68 HG22 THR 68 69.153 0.866 1.106 363 HG23 THR 68 HG23 THR 68 70.403 2.110 1.087 364 H TYR 69 H TYR 69 68.874 2.017 5.931 365 HA TYR 69 HA TYR 69 66.413 3.425 5.096 366 HB2 TYR 69 HB2 TYR 69 67.725 3.226 7.810 367 HB3 TYR 69 HB3 TYR 69 66.232 4.074 7.460 368 HD1 TYR 69 HD1 TYR 69 67.834 0.794 7.880 369 HD2 TYR 69 HD2 TYR 69 64.160 2.847 7.022 370 HE1 TYR 69 HE1 TYR 69 66.568 -1.300 8.284 371 HE2 TYR 69 HE2 TYR 69 62.895 0.753 7.425 372 HH TYR 69 HH TYR 69 63.963 -1.743 8.989 373 H ILE 70 H ILE 70 66.406 5.615 4.787 374 HA ILE 70 HA ILE 70 68.999 6.952 4.827 375 HB ILE 70 HB ILE 70 66.379 8.109 3.877 376 HG12 ILE 70 HG12 ILE 70 68.468 6.752 2.149 377 HG13 ILE 70 HG13 ILE 70 67.002 5.934 2.686 378 HG21 ILE 70 HG21 ILE 70 69.156 8.732 2.899 379 HG22 ILE 70 HG22 ILE 70 68.534 9.489 4.365 380 HG23 ILE 70 HG23 ILE 70 67.708 9.734 2.826 381 HD11 ILE 70 HD11 ILE 70 67.308 8.193 0.749 382 HD12 ILE 70 HD12 ILE 70 65.834 8.122 1.717 383 HD13 ILE 70 HD13 ILE 70 66.262 6.777 0.664 384 HA PRO 71 HA PRO 71 67.605 8.567 8.892 385 HB2 PRO 71 HB2 PRO 71 69.715 10.418 9.141 386 HB3 PRO 71 HB3 PRO 71 69.671 8.774 9.796 387 HG2 PRO 71 HG2 PRO 71 70.984 9.798 7.359 388 HG3 PRO 71 HG3 PRO 71 71.460 8.476 8.438 389 HD2 PRO 71 HD2 PRO 71 70.383 8.013 5.994 390 HD3 PRO 71 HD3 PRO 71 70.106 6.923 7.364 391 H VAL 72 H VAL 72 68.793 10.719 6.306 392 HA VAL 72 HA VAL 72 66.386 12.359 6.673 393 HB VAL 72 HB VAL 72 67.721 14.434 6.429 394 HG11 VAL 72 HG11 VAL 72 68.482 12.621 8.737 395 HG12 VAL 72 HG12 VAL 72 67.105 13.720 8.673 396 HG13 VAL 72 HG13 VAL 72 68.747 14.364 8.713 397 HG21 VAL 72 HG21 VAL 72 70.184 14.280 6.771 398 HG22 VAL 72 HG22 VAL 72 69.672 13.483 5.283 399 HG23 VAL 72 HG23 VAL 72 70.064 12.522 6.710 400 H GLN 73 H GLN 73 65.698 13.430 4.769 401 HA GLN 73 HA GLN 73 66.175 11.996 2.383 402 HB2 GLN 73 HB2 GLN 73 64.925 14.717 2.825 403 HB3 GLN 73 HB3 GLN 73 64.881 13.836 1.297 404 HG2 GLN 73 HG2 GLN 73 63.708 11.976 2.364 405 HG3 GLN 73 HG3 GLN 73 63.811 12.779 3.929 406 HE21 GLN 73 HE21 GLN 73 61.291 12.065 2.764 407 HE22 GLN 73 HE22 GLN 73 60.458 13.494 2.383 408 H ASP 74 H ASP 74 67.700 12.177 0.876 409 HA ASP 74 HA ASP 74 69.438 14.580 0.889 410 HB2 ASP 74 HB2 ASP 74 70.287 12.164 1.581 411 HB3 ASP 74 HB3 ASP 74 70.401 11.954 -0.162 412 HA PRO 75 HA PRO 75 67.268 14.495 -3.221 413 HB2 PRO 75 HB2 PRO 75 68.308 17.293 -3.210 414 HB3 PRO 75 HB3 PRO 75 66.693 16.688 -3.637 415 HG2 PRO 75 HG2 PRO 75 67.066 17.939 -1.354 416 HG3 PRO 75 HG3 PRO 75 66.037 16.493 -1.423 417 HD2 PRO 75 HD2 PRO 75 68.870 16.729 -0.436 418 HD3 PRO 75 HD3 PRO 75 67.509 15.816 0.262 419 H LYS 76 H LYS 76 70.477 15.591 -2.305 420 HA LYS 76 HA LYS 76 71.585 15.843 -4.911 421 HB2 LYS 76 HB2 LYS 76 72.609 16.789 -2.843 422 HB3 LYS 76 HB3 LYS 76 73.010 15.149 -2.333 423 HG2 LYS 76 HG2 LYS 76 74.399 14.828 -4.314 424 HG3 LYS 76 HG3 LYS 76 73.938 16.415 -4.926 425 HD2 LYS 76 HD2 LYS 76 76.104 16.638 -3.884 426 HD3 LYS 76 HD3 LYS 76 74.922 17.425 -2.838 427 HE2 LYS 76 HE2 LYS 76 75.522 14.528 -2.361 428 HE3 LYS 76 HE3 LYS 76 76.707 15.726 -1.844 429 HZ1 LYS 76 HZ1 LYS 76 75.452 16.157 -0.094 430 HZ2 LYS 76 HZ2 LYS 76 74.297 15.020 -0.606 431 HZ3 LYS 76 HZ3 LYS 76 74.176 16.640 -1.101 432 H LEU 77 H LEU 77 71.050 13.075 -2.819 433 HA LEU 77 HA LEU 77 72.975 11.328 -3.868 434 HB2 LEU 77 HB2 LEU 77 71.627 10.914 -1.811 435 HB3 LEU 77 HB3 LEU 77 70.226 10.594 -2.834 436 HG LEU 77 HG LEU 77 71.608 8.816 -3.998 437 HD11 LEU 77 HD11 LEU 77 73.459 9.527 -1.713 438 HD12 LEU 77 HD12 LEU 77 73.838 9.453 -3.434 439 HD13 LEU 77 HD13 LEU 77 73.532 7.968 -2.534 440 HD21 LEU 77 HD21 LEU 77 69.918 8.381 -2.167 441 HD22 LEU 77 HD22 LEU 77 71.256 8.390 -1.017 442 HD23 LEU 77 HD23 LEU 77 71.189 7.164 -2.283 443 H LEU 78 H LEU 78 69.728 12.142 -5.017 444 HA LEU 78 HA LEU 78 69.418 10.023 -6.849 445 HB2 LEU 78 HB2 LEU 78 68.346 12.849 -7.047 446 HB3 LEU 78 HB3 LEU 78 67.741 11.447 -7.929 447 HG LEU 78 HG LEU 78 67.795 11.683 -4.906 448 HD11 LEU 78 HD11 LEU 78 65.611 12.124 -6.951 449 HD12 LEU 78 HD12 LEU 78 66.162 13.235 -5.698 450 HD13 LEU 78 HD13 LEU 78 65.264 11.783 -5.256 451 HD21 LEU 78 HD21 LEU 78 66.115 9.724 -5.257 452 HD22 LEU 78 HD22 LEU 78 67.835 9.381 -5.428 453 HD23 LEU 78 HD23 LEU 78 66.833 9.597 -6.863 454 H ASP 79 H ASP 79 70.728 13.300 -7.275 455 HA ASP 79 HA ASP 79 71.258 13.099 -10.034 456 HB2 ASP 79 HB2 ASP 79 72.641 14.742 -7.901 457 HB3 ASP 79 HB3 ASP 79 72.872 14.959 -9.634 458 H ASN 80 H ASN 80 73.232 12.256 -7.213 459 HA ASN 80 HA ASN 80 75.626 11.691 -8.557 460 HB2 ASN 80 HB2 ASN 80 75.281 11.828 -6.059 461 HB3 ASN 80 HB3 ASN 80 74.575 10.215 -6.138 462 HD21 ASN 80 HD21 ASN 80 77.587 11.976 -7.038 463 HD22 ASN 80 HD22 ASN 80 78.606 10.635 -6.817 464 H LEU 81 H LEU 81 72.927 9.502 -7.725 465 HA LEU 81 HA LEU 81 74.059 7.147 -8.753 466 HB2 LEU 81 HB2 LEU 81 71.136 7.926 -8.608 467 HB3 LEU 81 HB3 LEU 81 71.752 6.290 -8.831 468 HG LEU 81 HG LEU 81 72.384 8.042 -6.439 469 HD11 LEU 81 HD11 LEU 81 70.875 6.455 -5.228 470 HD12 LEU 81 HD12 LEU 81 70.419 5.758 -6.783 471 HD13 LEU 81 HD13 LEU 81 70.023 7.438 -6.420 472 HD21 LEU 81 HD21 LEU 81 73.015 5.188 -7.208 473 HD22 LEU 81 HD22 LEU 81 73.059 5.729 -5.531 474 HD23 LEU 81 HD23 LEU 81 74.137 6.457 -6.721 475 H LEU 82 H LEU 82 72.250 9.728 -10.373 476 HA LEU 82 HA LEU 82 71.928 8.300 -12.825 477 HB2 LEU 82 HB2 LEU 82 71.980 11.292 -12.333 478 HB3 LEU 82 HB3 LEU 82 71.416 10.509 -13.808 479 HG LEU 82 HG LEU 82 70.235 10.031 -11.056 480 HD11 LEU 82 HD11 LEU 82 69.389 11.806 -13.357 481 HD12 LEU 82 HD12 LEU 82 69.678 12.273 -11.681 482 HD13 LEU 82 HD13 LEU 82 68.271 11.292 -12.093 483 HD21 LEU 82 HD21 LEU 82 68.360 9.098 -12.573 484 HD22 LEU 82 HD22 LEU 82 69.813 8.115 -12.391 485 HD23 LEU 82 HD23 LEU 82 69.579 9.080 -13.848 486 H THR 83 H THR 83 74.381 10.655 -11.740 487 HA THR 83 HA THR 83 75.877 10.713 -14.108 488 HB THR 83 HB THR 83 76.954 10.915 -11.289 489 HG1 THR 83 HG1 THR 83 75.701 12.755 -12.947 490 HG21 THR 83 HG21 THR 83 78.557 12.492 -12.468 491 HG22 THR 83 HG22 THR 83 77.917 11.874 -13.992 492 HG23 THR 83 HG23 THR 83 78.746 10.787 -12.878 493 H LYS 84 H LYS 84 75.827 8.348 -11.511 494 HA LYS 84 HA LYS 84 78.169 6.947 -12.488 495 HB2 LYS 84 HB2 LYS 84 76.190 6.283 -10.303 496 HB3 LYS 84 HB3 LYS 84 77.621 5.320 -10.679 497 HG2 LYS 84 HG2 LYS 84 79.036 7.340 -10.312 498 HG3 LYS 84 HG3 LYS 84 77.593 8.230 -9.828 499 HD2 LYS 84 HD2 LYS 84 77.209 6.547 -8.023 500 HD3 LYS 84 HD3 LYS 84 78.733 5.774 -8.465 501 HE2 LYS 84 HE2 LYS 84 78.702 8.720 -7.881 502 HE3 LYS 84 HE3 LYS 84 78.693 7.575 -6.540 503 HZ1 LYS 84 HZ1 LYS 84 80.744 6.760 -7.096 504 HZ2 LYS 84 HZ2 LYS 84 80.927 8.389 -7.543 505 HZ3 LYS 84 HZ3 LYS 84 80.619 7.210 -8.727 506 H ASN 85 H ASN 85 75.087 7.042 -13.690 507 HA ASN 85 HA ASN 85 73.876 5.689 -15.065 508 HB2 ASN 85 HB2 ASN 85 76.433 4.082 -15.278 509 HB3 ASN 85 HB3 ASN 85 75.071 4.046 -16.393 510 HD21 ASN 85 HD21 ASN 85 74.495 6.789 -16.669 511 HD22 ASN 85 HD22 ASN 85 75.829 7.573 -17.368 512 H VAL 86 H VAL 86 73.650 5.244 -12.296 513 HA VAL 86 HA VAL 86 73.403 2.332 -12.034 514 HB VAL 86 HB VAL 86 72.820 4.521 -10.021 515 HG11 VAL 86 HG11 VAL 86 71.630 2.403 -9.583 516 HG12 VAL 86 HG12 VAL 86 72.906 2.664 -8.393 517 HG13 VAL 86 HG13 VAL 86 73.151 1.520 -9.712 518 HG21 VAL 86 HG21 VAL 86 74.983 4.007 -9.066 519 HG22 VAL 86 HG22 VAL 86 75.226 4.344 -10.780 520 HG23 VAL 86 HG23 VAL 86 75.223 2.679 -10.201 521 H LYS 87 H LYS 87 71.409 1.282 -11.873 522 HA LYS 87 HA LYS 87 69.232 2.552 -13.239 523 HB2 LYS 87 HB2 LYS 87 69.715 0.099 -13.355 524 HB3 LYS 87 HB3 LYS 87 69.205 -0.039 -11.672 525 HG2 LYS 87 HG2 LYS 87 66.991 0.916 -12.292 526 HG3 LYS 87 HG3 LYS 87 67.501 0.944 -13.980 527 HD2 LYS 87 HD2 LYS 87 67.902 -1.527 -13.843 528 HD3 LYS 87 HD3 LYS 87 67.212 -1.506 -12.219 529 HE2 LYS 87 HE2 LYS 87 65.353 -2.053 -13.531 530 HE3 LYS 87 HE3 LYS 87 65.193 -0.305 -13.371 531 HZ1 LYS 87 HZ1 LYS 87 65.847 -1.899 -15.701 532 HZ2 LYS 87 HZ2 LYS 87 66.762 -0.479 -15.516 533 HZ3 LYS 87 HZ3 LYS 87 65.066 -0.397 -15.597 534 H VAL 88 H VAL 88 67.429 3.517 -12.427 535 HA VAL 88 HA VAL 88 67.106 3.555 -9.483 536 HB VAL 88 HB VAL 88 66.824 5.954 -11.314 537 HG11 VAL 88 HG11 VAL 88 65.315 5.958 -9.348 538 HG12 VAL 88 HG12 VAL 88 66.562 7.196 -9.204 539 HG13 VAL 88 HG13 VAL 88 66.702 5.692 -8.293 540 HG21 VAL 88 HG21 VAL 88 69.148 5.651 -11.130 541 HG22 VAL 88 HG22 VAL 88 69.027 4.994 -9.497 542 HG23 VAL 88 HG23 VAL 88 68.793 6.721 -9.773 543 H VAL 89 H VAL 89 65.129 3.148 -8.800 544 HA VAL 89 HA VAL 89 62.872 3.351 -10.720 545 HB VAL 89 HB VAL 89 63.120 1.389 -8.426 546 HG11 VAL 89 HG11 VAL 89 61.183 1.553 -10.753 547 HG12 VAL 89 HG12 VAL 89 60.820 2.035 -9.096 548 HG13 VAL 89 HG13 VAL 89 61.164 0.345 -9.469 549 HG21 VAL 89 HG21 VAL 89 63.219 -0.248 -10.484 550 HG22 VAL 89 HG22 VAL 89 64.694 0.544 -9.928 551 HG23 VAL 89 HG23 VAL 89 63.837 1.167 -11.338 552 H GLY 90 H GLY 90 61.176 4.592 -10.056 553 HA2 GLY 90 HA2 GLY 90 61.214 5.552 -7.247 554 HA3 GLY 90 HA3 GLY 90 60.603 6.478 -8.613 555 H GLU 91 H GLU 91 59.566 4.984 -5.965 556 HA GLU 91 HA GLU 91 56.887 4.726 -7.063 557 HB2 GLU 91 HB2 GLU 91 58.444 2.393 -5.994 558 HB3 GLU 91 HB3 GLU 91 56.696 2.461 -5.762 559 HG2 GLU 91 HG2 GLU 91 56.662 3.025 -8.329 560 HG3 GLU 91 HG3 GLU 91 58.258 2.274 -8.319 561 HA PRO 92 HA PRO 92 57.154 6.732 -2.899 562 HB2 PRO 92 HB2 PRO 92 54.586 7.911 -3.834 563 HB3 PRO 92 HB3 PRO 92 55.990 8.702 -3.094 564 HG2 PRO 92 HG2 PRO 92 55.453 8.950 -5.689 565 HG3 PRO 92 HG3 PRO 92 57.117 8.870 -5.079 566 HD2 PRO 92 HD2 PRO 92 55.523 6.755 -6.471 567 HD3 PRO 92 HD3 PRO 92 57.264 7.103 -6.564 568 HA PRO 93 HA PRO 93 54.473 3.716 -0.954 569 HB2 PRO 93 HB2 PRO 93 53.862 5.832 1.069 570 HB3 PRO 93 HB3 PRO 93 54.428 4.167 1.315 571 HG2 PRO 93 HG2 PRO 93 56.094 6.177 1.620 572 HG3 PRO 93 HG3 PRO 93 56.623 4.695 0.796 573 HD2 PRO 93 HD2 PRO 93 55.865 7.342 -0.408 574 HD3 PRO 93 HD3 PRO 93 57.175 6.227 -0.866 575 H GLU 94 H GLU 94 52.313 3.165 -1.020 576 HA GLU 94 HA GLU 94 50.415 5.287 -1.833 577 HB2 GLU 94 HB2 GLU 94 50.823 3.405 -3.445 578 HB3 GLU 94 HB3 GLU 94 50.154 2.301 -2.242 579 HG2 GLU 94 HG2 GLU 94 48.060 3.650 -2.216 580 HG3 GLU 94 HG3 GLU 94 48.723 4.664 -3.489 581 H GLU 95 H GLU 95 48.552 5.591 -0.703 582 HA GLU 95 HA GLU 95 48.062 3.839 1.634 583 HB2 GLU 95 HB2 GLU 95 49.120 6.147 2.107 584 HB3 GLU 95 HB3 GLU 95 47.540 6.803 1.676 585 HG2 GLU 95 HG2 GLU 95 46.509 5.250 3.363 586 HG3 GLU 95 HG3 GLU 95 48.138 4.804 3.872 587 HA PRO 96 HA PRO 96 44.267 4.084 -1.076 588 HB2 PRO 96 HB2 PRO 96 43.359 1.578 -0.316 589 HB3 PRO 96 HB3 PRO 96 44.381 1.900 -1.731 590 HG2 PRO 96 HG2 PRO 96 45.171 0.974 0.992 591 HG3 PRO 96 HG3 PRO 96 45.732 0.414 -0.597 592 HD2 PRO 96 HD2 PRO 96 47.260 2.077 0.828 593 HD3 PRO 96 HD3 PRO 96 47.106 2.289 -0.931 594 H LEU 97 H LEU 97 44.801 3.375 2.309 595 HA LEU 97 HA LEU 97 42.142 3.352 3.224 596 HB2 LEU 97 HB2 LEU 97 44.613 4.350 4.659 597 HB3 LEU 97 HB3 LEU 97 43.088 3.897 5.417 598 HG LEU 97 HG LEU 97 44.812 2.026 3.764 599 HD11 LEU 97 HD11 LEU 97 45.865 2.689 5.920 600 HD12 LEU 97 HD12 LEU 97 45.394 0.990 5.908 601 HD13 LEU 97 HD13 LEU 97 44.407 2.172 6.768 602 HD21 LEU 97 HD21 LEU 97 42.602 1.212 3.643 603 HD22 LEU 97 HD22 LEU 97 42.218 1.749 5.279 604 HD23 LEU 97 HD23 LEU 97 43.268 0.352 5.032 605 H GLU 98 H GLU 98 44.338 6.026 2.500 606 HA GLU 98 HA GLU 98 42.817 8.062 3.761 607 HB2 GLU 98 HB2 GLU 98 45.215 8.258 3.062 608 HB3 GLU 98 HB3 GLU 98 44.669 8.352 1.387 609 HG2 GLU 98 HG2 GLU 98 43.273 10.322 1.986 610 HG3 GLU 98 HG3 GLU 98 43.914 10.255 3.621 611 H HIS 99 H HIS 99 40.958 8.972 3.180 612 HA HIS 99 HA HIS 99 39.469 8.183 0.921 613 HB2 HIS 99 HB2 HIS 99 39.211 10.634 2.666 614 HB3 HIS 99 HB3 HIS 99 38.017 10.120 1.489 615 HD1 HIS 99 HD1 HIS 99 39.383 9.331 4.878 616 HD2 HIS 99 HD2 HIS 99 36.489 7.830 2.280 617 HE1 HIS 99 HE1 HIS 99 37.988 7.703 6.224 618 H HIS 100 H HIS 100 41.517 11.011 1.519 619 HA HIS 100 HA HIS 100 40.934 12.489 -0.772 620 HB2 HIS 100 HB2 HIS 100 42.295 13.296 1.117 621 HB3 HIS 100 HB3 HIS 100 43.592 12.219 0.632 622 HD1 HIS 100 HD1 HIS 100 41.542 15.029 -0.953 623 HD2 HIS 100 HD2 HIS 100 45.419 13.496 -0.980 624 HE1 HIS 100 HE1 HIS 100 42.904 16.558 -2.439 625 H HIS 101 H HIS 101 42.966 9.634 -0.413 626 HA HIS 101 HA HIS 101 44.458 9.801 -2.775 627 HB2 HIS 101 HB2 HIS 101 44.818 8.128 -0.992 628 HB3 HIS 101 HB3 HIS 101 43.331 7.326 -1.461 629 HD1 HIS 101 HD1 HIS 101 46.603 8.360 -3.143 630 HD2 HIS 101 HD2 HIS 101 43.807 5.270 -3.225 631 HE1 HIS 101 HE1 HIS 101 47.481 6.644 -4.783 632 H HIS 102 H HIS 102 41.153 8.655 -2.223 633 HA HIS 102 HA HIS 102 40.844 8.259 -5.144 634 HB2 HIS 102 HB2 HIS 102 40.441 6.302 -3.592 635 HB3 HIS 102 HB3 HIS 102 39.071 7.191 -2.952 636 HD1 HIS 102 HD1 HIS 102 40.297 6.219 -6.443 637 HD2 HIS 102 HD2 HIS 102 36.772 6.391 -4.226 638 HE1 HIS 102 HE1 HIS 102 38.461 5.358 -7.955 639 H HIS 103 H HIS 103 39.711 9.750 -6.184 640 HA HIS 103 HA HIS 103 38.563 11.997 -4.993 641 HB2 HIS 103 HB2 HIS 103 37.994 10.750 -7.680 642 HB3 HIS 103 HB3 HIS 103 37.464 12.348 -7.195 643 HD1 HIS 103 HD1 HIS 103 40.475 10.414 -8.272 644 HD2 HIS 103 HD2 HIS 103 39.550 14.309 -7.110 645 HE1 HIS 103 HE1 HIS 103 42.482 11.833 -8.871 646 H HIS 104 H HIS 104 37.122 8.868 -5.738 647 HA HIS 104 HA HIS 104 34.473 9.873 -4.935 648 HB2 HIS 104 HB2 HIS 104 34.686 8.578 -7.046 649 HB3 HIS 104 HB3 HIS 104 35.242 7.202 -6.113 650 HD1 HIS 104 HD1 HIS 104 32.199 9.514 -6.151 651 HD2 HIS 104 HD2 HIS 104 33.167 5.518 -5.460 652 HE1 HIS 104 HE1 HIS 104 30.014 8.313 -5.720 Start of MODEL 4 1 H1 MET 23 HT1 MET 23 57.844 -17.562 0.032 2 H2 MET 23 HT2 MET 23 58.661 -18.096 1.422 3 H3 MET 23 HT3 MET 23 59.235 -16.750 0.561 4 HA MET 23 HA MET 23 56.548 -16.309 1.285 5 HB2 MET 23 HB2 MET 23 58.454 -17.031 3.532 6 HB3 MET 23 HB3 MET 23 56.887 -16.247 3.749 7 HG2 MET 23 HG2 MET 23 55.824 -18.206 2.581 8 HG3 MET 23 HG3 MET 23 57.398 -19.003 2.596 9 HE1 MET 23 HE1 MET 23 55.354 -17.189 6.129 10 HE2 MET 23 HE2 MET 23 54.203 -18.238 5.305 11 HE3 MET 23 HE3 MET 23 55.025 -16.965 4.407 12 H ALA 24 H ALA 24 56.615 -14.278 2.808 13 HA ALA 24 HA ALA 24 58.078 -12.271 1.481 14 HB1 ALA 24 HB1 ALA 24 56.757 -12.202 4.202 15 HB2 ALA 24 HB2 ALA 24 55.995 -11.798 2.663 16 HB3 ALA 24 HB3 ALA 24 57.296 -10.790 3.295 17 H SER 25 H SER 25 58.817 -14.152 4.368 18 HA SER 25 HA SER 25 60.802 -12.536 5.493 19 HB2 SER 25 HB2 SER 25 61.571 -14.535 6.623 20 HB3 SER 25 HB3 SER 25 59.812 -14.559 6.554 21 HG SER 25 HG SER 25 61.086 -16.479 5.845 22 H GLU 26 H GLU 26 60.981 -14.799 2.782 23 HA GLU 26 HA GLU 26 63.788 -14.948 2.570 24 HB2 GLU 26 HB2 GLU 26 61.663 -15.126 0.422 25 HB3 GLU 26 HB3 GLU 26 63.354 -15.579 0.205 26 HG2 GLU 26 HG2 GLU 26 63.125 -17.212 2.068 27 HG3 GLU 26 HG3 GLU 26 61.420 -16.802 2.192 28 H SER 27 H SER 27 61.461 -12.590 1.323 29 HA SER 27 HA SER 27 63.140 -11.141 -0.377 30 HB2 SER 27 HB2 SER 27 60.915 -10.061 1.365 31 HB3 SER 27 HB3 SER 27 61.586 -9.288 -0.066 32 HG SER 27 HG SER 27 60.548 -11.862 -0.143 33 H ASN 28 H ASN 28 62.996 -11.162 3.130 34 HA ASN 28 HA ASN 28 64.163 -8.691 3.710 35 HB2 ASN 28 HB2 ASN 28 64.473 -11.333 5.154 36 HB3 ASN 28 HB3 ASN 28 64.912 -9.760 5.818 37 HD21 ASN 28 HD21 ASN 28 62.850 -11.537 6.923 38 HD22 ASN 28 HD22 ASN 28 61.377 -10.701 6.817 39 H GLY 29 H GLY 29 66.273 -8.001 3.991 40 HA2 GLY 29 HA2 GLY 29 68.418 -9.784 3.011 41 HA3 GLY 29 HA3 GLY 29 68.234 -8.163 2.348 42 H ARG 30 H ARG 30 70.598 -8.416 3.288 43 HA ARG 30 HA ARG 30 71.039 -8.278 6.081 44 HB2 ARG 30 HB2 ARG 30 72.680 -7.147 3.799 45 HB3 ARG 30 HB3 ARG 30 73.239 -7.307 5.465 46 HG2 ARG 30 HG2 ARG 30 72.858 -9.749 5.353 47 HG3 ARG 30 HG3 ARG 30 72.340 -9.583 3.674 48 HD2 ARG 30 HD2 ARG 30 74.658 -10.237 3.644 49 HD3 ARG 30 HD3 ARG 30 74.581 -8.543 3.172 50 HE ARG 30 HE ARG 30 75.753 -8.010 5.088 51 HH11 ARG 30 HH11 ARG 30 74.455 -11.248 5.483 52 HH12 ARG 30 HH12 ARG 30 75.301 -11.513 6.970 53 HH21 ARG 30 HH21 ARG 30 76.817 -8.409 7.007 54 HH22 ARG 30 HH22 ARG 30 76.621 -9.926 7.822 55 H LYS 31 H LYS 31 71.287 -6.510 7.484 56 HA LYS 31 HA LYS 31 69.845 -4.101 6.721 57 HB2 LYS 31 HB2 LYS 31 71.319 -4.721 9.296 58 HB3 LYS 31 HB3 LYS 31 70.179 -3.403 9.034 59 HG2 LYS 31 HG2 LYS 31 69.497 -6.348 8.796 60 HG3 LYS 31 HG3 LYS 31 69.135 -5.342 10.197 61 HD2 LYS 31 HD2 LYS 31 67.828 -3.819 8.679 62 HD3 LYS 31 HD3 LYS 31 68.067 -4.993 7.383 63 HE2 LYS 31 HE2 LYS 31 65.982 -5.614 8.268 64 HE3 LYS 31 HE3 LYS 31 67.097 -6.717 9.075 65 HZ1 LYS 31 HZ1 LYS 31 65.795 -4.294 10.151 66 HZ2 LYS 31 HZ2 LYS 31 67.206 -4.919 10.863 67 HZ3 LYS 31 HZ3 LYS 31 65.799 -5.868 10.785 68 H VAL 32 H VAL 32 70.730 -2.157 6.189 69 HA VAL 32 HA VAL 32 73.651 -1.829 6.505 70 HB VAL 32 HB VAL 32 72.094 -1.238 3.975 71 HG11 VAL 32 HG11 VAL 32 73.953 0.329 4.333 72 HG12 VAL 32 HG12 VAL 32 74.352 -0.795 3.034 73 HG13 VAL 32 HG13 VAL 32 75.050 -1.018 4.638 74 HG21 VAL 32 HG21 VAL 32 72.376 -3.608 4.118 75 HG22 VAL 32 HG22 VAL 32 74.007 -3.448 4.767 76 HG23 VAL 32 HG23 VAL 32 73.685 -3.042 3.082 77 H ASP 33 H ASP 33 74.261 0.063 7.252 78 HA ASP 33 HA ASP 33 72.404 2.172 7.847 79 HB2 ASP 33 HB2 ASP 33 75.425 2.027 8.013 80 HB3 ASP 33 HB3 ASP 33 74.454 3.351 8.651 81 H TYR 34 H TYR 34 72.339 4.277 6.933 82 HA TYR 34 HA TYR 34 72.533 4.478 4.167 83 HB2 TYR 34 HB2 TYR 34 71.193 6.009 5.478 84 HB3 TYR 34 HB3 TYR 34 72.619 6.640 6.273 85 HD1 TYR 34 HD1 TYR 34 72.116 5.922 2.640 86 HD2 TYR 34 HD2 TYR 34 72.604 8.922 5.674 87 HE1 TYR 34 HE1 TYR 34 72.334 7.661 0.888 88 HE2 TYR 34 HE2 TYR 34 72.807 10.664 3.919 89 HH TYR 34 HH TYR 34 72.449 11.030 1.640 90 H SER 35 H SER 35 74.955 5.296 6.630 91 HA SER 35 HA SER 35 76.776 6.648 4.977 92 HB2 SER 35 HB2 SER 35 76.901 6.497 7.478 93 HB3 SER 35 HB3 SER 35 77.461 4.837 7.302 94 HG SER 35 HG SER 35 79.312 5.791 7.089 95 H THR 36 H THR 36 76.398 3.192 5.678 96 HA THR 36 HA THR 36 78.739 2.349 4.288 97 HB THR 36 HB THR 36 76.219 0.759 4.830 98 HG1 THR 36 HG1 THR 36 78.515 1.073 6.372 99 HG21 THR 36 HG21 THR 36 79.086 0.001 4.220 100 HG22 THR 36 HG22 THR 36 77.654 -0.373 3.260 101 HG23 THR 36 HG23 THR 36 77.886 -1.138 4.832 102 H PHE 37 H PHE 37 75.343 2.709 3.327 103 HA PHE 37 HA PHE 37 75.521 1.597 0.773 104 HB2 PHE 37 HB2 PHE 37 73.394 2.186 1.764 105 HB3 PHE 37 HB3 PHE 37 73.828 3.883 1.784 106 HD1 PHE 37 HD2 PHE 37 72.726 1.055 -0.307 107 HD2 PHE 37 HD1 PHE 37 73.769 5.220 -0.251 108 HE1 PHE 37 HE2 PHE 37 71.734 1.338 -2.565 109 HE2 PHE 37 HE1 PHE 37 72.778 5.502 -2.506 110 HZ PHE 37 HZ PHE 37 71.758 3.559 -3.662 111 H LEU 38 H LEU 38 76.183 4.940 1.830 112 HA LEU 38 HA LEU 38 76.550 6.030 -0.730 113 HB2 LEU 38 HB2 LEU 38 77.813 6.846 1.897 114 HB3 LEU 38 HB3 LEU 38 77.777 7.834 0.434 115 HG LEU 38 HG LEU 38 75.284 6.741 1.756 116 HD11 LEU 38 HD11 LEU 38 76.784 8.477 3.066 117 HD12 LEU 38 HD12 LEU 38 75.038 8.697 2.980 118 HD13 LEU 38 HD13 LEU 38 76.096 9.626 1.918 119 HD21 LEU 38 HD21 LEU 38 75.899 8.605 -0.520 120 HD22 LEU 38 HD22 LEU 38 74.396 8.797 0.384 121 HD23 LEU 38 HD23 LEU 38 74.736 7.281 -0.451 122 H GLN 39 H GLN 39 78.871 4.512 1.488 123 HA GLN 39 HA GLN 39 81.182 5.009 -0.059 124 HB2 GLN 39 HB2 GLN 39 81.176 4.175 2.306 125 HB3 GLN 39 HB3 GLN 39 80.683 2.595 1.696 126 HG2 GLN 39 HG2 GLN 39 83.052 2.475 1.877 127 HG3 GLN 39 HG3 GLN 39 82.733 2.716 0.161 128 HE21 GLN 39 HE21 GLN 39 83.980 4.336 -0.770 129 HE22 GLN 39 HE22 GLN 39 84.635 5.661 0.065 130 H GLU 40 H GLU 40 78.910 2.282 -0.068 131 HA GLU 40 HA GLU 40 80.296 0.699 -1.931 132 HB2 GLU 40 HB2 GLU 40 78.418 -0.067 -0.466 133 HB3 GLU 40 HB3 GLU 40 77.302 0.784 -1.537 134 HG2 GLU 40 HG2 GLU 40 78.163 -0.538 -3.452 135 HG3 GLU 40 HG3 GLU 40 79.212 -1.421 -2.352 136 H VAL 41 H VAL 41 77.811 3.189 -2.396 137 HA VAL 41 HA VAL 41 77.487 2.969 -5.157 138 HB VAL 41 HB VAL 41 77.409 5.448 -3.415 139 HG11 VAL 41 HG11 VAL 41 76.151 4.963 -6.132 140 HG12 VAL 41 HG12 VAL 41 77.592 5.942 -5.857 141 HG13 VAL 41 HG13 VAL 41 76.044 6.440 -5.174 142 HG21 VAL 41 HG21 VAL 41 75.148 4.971 -3.036 143 HG22 VAL 41 HG22 VAL 41 75.873 3.366 -2.976 144 HG23 VAL 41 HG23 VAL 41 75.038 3.901 -4.432 145 H ASN 42 H ASN 42 79.833 4.906 -3.297 146 HA ASN 42 HA ASN 42 81.188 6.063 -5.457 147 HB2 ASN 42 HB2 ASN 42 82.195 5.259 -2.722 148 HB3 ASN 42 HB3 ASN 42 83.103 6.256 -3.857 149 HD21 ASN 42 HD21 ASN 42 81.252 6.607 -1.170 150 HD22 ASN 42 HD22 ASN 42 80.531 8.107 -1.499 151 H ASN 43 H ASN 43 81.481 2.861 -4.037 152 HA ASN 43 HA ASN 43 83.822 2.193 -5.622 153 HB2 ASN 43 HB2 ASN 43 82.069 0.508 -3.828 154 HB3 ASN 43 HB3 ASN 43 83.533 -0.068 -4.622 155 HD21 ASN 43 HD21 ASN 43 83.218 0.055 -1.736 156 HD22 ASN 43 HD22 ASN 43 84.344 1.182 -1.150 157 H ASP 44 H ASP 44 80.773 2.604 -6.650 158 HA ASP 44 HA ASP 44 79.488 1.780 -8.352 159 HB2 ASP 44 HB2 ASP 44 81.695 2.478 -9.436 160 HB3 ASP 44 HB3 ASP 44 82.085 0.760 -9.489 161 H GLN 45 H GLN 45 79.807 -0.043 -6.107 162 HA GLN 45 HA GLN 45 79.810 -2.667 -7.414 163 HB2 GLN 45 HB2 GLN 45 79.520 -1.915 -4.503 164 HB3 GLN 45 HB3 GLN 45 79.569 -3.563 -5.122 165 HG2 GLN 45 HG2 GLN 45 81.758 -1.494 -5.459 166 HG3 GLN 45 HG3 GLN 45 81.789 -2.835 -4.317 167 HE21 GLN 45 HE21 GLN 45 83.037 -1.972 -7.238 168 HE22 GLN 45 HE22 GLN 45 83.179 -3.502 -7.961 169 H VAL 46 H VAL 46 77.516 -0.286 -6.361 170 HA VAL 46 HA VAL 46 75.318 -2.152 -6.062 171 HB VAL 46 HB VAL 46 75.260 0.870 -6.308 172 HG11 VAL 46 HG11 VAL 46 73.074 -0.004 -6.719 173 HG12 VAL 46 HG12 VAL 46 73.079 0.501 -5.029 174 HG13 VAL 46 HG13 VAL 46 73.238 -1.207 -5.441 175 HG21 VAL 46 HG21 VAL 46 76.543 0.438 -4.366 176 HG22 VAL 46 HG22 VAL 46 75.593 -0.989 -3.952 177 HG23 VAL 46 HG23 VAL 46 74.901 0.620 -3.753 178 H ARG 47 H ARG 47 73.765 -2.643 -7.560 179 HA ARG 47 HA ARG 47 74.290 -1.731 -10.316 180 HB2 ARG 47 HB2 ARG 47 74.313 -4.174 -9.864 181 HB3 ARG 47 HB3 ARG 47 72.635 -4.067 -9.334 182 HG2 ARG 47 HG2 ARG 47 72.026 -3.155 -11.578 183 HG3 ARG 47 HG3 ARG 47 73.693 -3.408 -12.097 184 HD2 ARG 47 HD2 ARG 47 71.837 -5.575 -11.076 185 HD3 ARG 47 HD3 ARG 47 72.232 -5.292 -12.768 186 HE ARG 47 HE ARG 47 74.597 -5.629 -11.210 187 HH11 ARG 47 HH11 ARG 47 71.985 -7.475 -12.659 188 HH12 ARG 47 HH12 ARG 47 72.942 -8.913 -12.789 189 HH21 ARG 47 HH21 ARG 47 75.778 -7.510 -11.404 190 HH22 ARG 47 HH22 ARG 47 75.062 -8.931 -12.087 191 H GLU 48 H GLU 48 71.636 -2.298 -8.018 192 HA GLU 48 HA GLU 48 70.000 -0.319 -9.486 193 HB2 GLU 48 HB2 GLU 48 69.336 -2.640 -10.111 194 HB3 GLU 48 HB3 GLU 48 68.992 -2.961 -8.410 195 HG2 GLU 48 HG2 GLU 48 67.368 -1.084 -8.410 196 HG3 GLU 48 HG3 GLU 48 67.667 -0.842 -10.125 197 H ALA 49 H ALA 49 68.860 1.066 -8.233 198 HA ALA 49 HA ALA 49 68.531 0.431 -5.367 199 HB1 ALA 49 HB1 ALA 49 70.403 2.015 -5.598 200 HB2 ALA 49 HB2 ALA 49 69.021 2.771 -4.804 201 HB3 ALA 49 HB3 ALA 49 69.360 3.115 -6.500 202 H ARG 50 H ARG 50 66.436 0.283 -4.999 203 HA ARG 50 HA ARG 50 64.525 1.952 -6.478 204 HB2 ARG 50 HB2 ARG 50 64.166 -0.366 -4.562 205 HB3 ARG 50 HB3 ARG 50 62.834 0.515 -5.303 206 HG2 ARG 50 HG2 ARG 50 63.694 -0.089 -7.547 207 HG3 ARG 50 HG3 ARG 50 65.008 -0.990 -6.791 208 HD2 ARG 50 HD2 ARG 50 63.283 -2.576 -7.351 209 HD3 ARG 50 HD3 ARG 50 63.270 -2.373 -5.601 210 HE ARG 50 HE ARG 50 61.195 -1.319 -5.767 211 HH11 ARG 50 HH11 ARG 50 62.510 -1.796 -8.986 212 HH12 ARG 50 HH12 ARG 50 61.016 -1.394 -9.764 213 HH21 ARG 50 HH21 ARG 50 59.298 -0.811 -6.824 214 HH22 ARG 50 HH22 ARG 50 59.221 -0.843 -8.555 215 H ILE 51 H ILE 51 63.519 3.669 -5.540 216 HA ILE 51 HA ILE 51 64.010 4.163 -2.668 217 HB ILE 51 HB ILE 51 63.324 6.120 -4.874 218 HG12 ILE 51 HG12 ILE 51 65.947 5.690 -3.414 219 HG13 ILE 51 HG13 ILE 51 65.604 5.064 -5.027 220 HG21 ILE 51 HG21 ILE 51 64.175 6.562 -1.994 221 HG22 ILE 51 HG22 ILE 51 62.556 6.837 -2.639 222 HG23 ILE 51 HG23 ILE 51 63.905 7.829 -3.192 223 HD11 ILE 51 HD11 ILE 51 65.146 7.390 -5.796 224 HD12 ILE 51 HD12 ILE 51 66.802 7.182 -5.224 225 HD13 ILE 51 HD13 ILE 51 65.608 7.981 -4.200 226 H ASN 52 H ASN 52 62.341 4.011 -1.329 227 HA ASN 52 HA ASN 52 59.660 4.783 -2.245 228 HB2 ASN 52 HB2 ASN 52 59.955 2.252 -2.319 229 HB3 ASN 52 HB3 ASN 52 60.134 2.314 -0.567 230 HD21 ASN 52 HD21 ASN 52 58.205 2.067 0.558 231 HD22 ASN 52 HD22 ASN 52 56.665 2.427 -0.058 232 H GLY 53 H GLY 53 59.622 6.635 -1.030 233 HA2 GLY 53 HA2 GLY 53 59.449 7.967 0.838 234 HA3 GLY 53 HA3 GLY 53 59.063 6.495 1.727 235 H ARG 54 H ARG 54 60.333 6.395 3.461 236 HA ARG 54 HA ARG 54 62.959 7.592 3.547 237 HB2 ARG 54 HB2 ARG 54 61.378 7.497 5.506 238 HB3 ARG 54 HB3 ARG 54 61.686 5.762 5.584 239 HG2 ARG 54 HG2 ARG 54 64.100 6.207 5.878 240 HG3 ARG 54 HG3 ARG 54 63.776 7.942 5.839 241 HD2 ARG 54 HD2 ARG 54 62.257 7.657 7.798 242 HD3 ARG 54 HD3 ARG 54 62.712 5.957 7.866 243 HE ARG 54 HE ARG 54 65.092 7.358 7.921 244 HH11 ARG 54 HH11 ARG 54 62.223 7.258 9.940 245 HH12 ARG 54 HH12 ARG 54 63.095 7.686 11.374 246 HH21 ARG 54 HH21 ARG 54 66.161 7.908 9.798 247 HH22 ARG 54 HH22 ARG 54 65.298 8.049 11.293 248 H GLU 55 H GLU 55 61.779 4.460 2.639 249 HA GLU 55 HA GLU 55 64.307 3.176 3.438 250 HB2 GLU 55 HB2 GLU 55 61.671 1.984 2.556 251 HB3 GLU 55 HB3 GLU 55 63.100 1.060 3.018 252 HG2 GLU 55 HG2 GLU 55 63.057 2.168 5.249 253 HG3 GLU 55 HG3 GLU 55 61.577 2.996 4.784 254 H ILE 56 H ILE 56 65.682 2.300 1.987 255 HA ILE 56 HA ILE 56 64.936 2.358 -0.881 256 HB ILE 56 HB ILE 56 67.706 2.673 0.316 257 HG12 ILE 56 HG12 ILE 56 65.973 4.737 -1.076 258 HG13 ILE 56 HG13 ILE 56 66.178 4.640 0.673 259 HG21 ILE 56 HG21 ILE 56 66.795 3.106 -2.538 260 HG22 ILE 56 HG22 ILE 56 67.483 1.582 -1.979 261 HG23 ILE 56 HG23 ILE 56 68.448 3.056 -1.931 262 HD11 ILE 56 HD11 ILE 56 68.431 5.025 -1.325 263 HD12 ILE 56 HD12 ILE 56 68.601 4.971 0.429 264 HD13 ILE 56 HD13 ILE 56 67.724 6.298 -0.334 265 H ASN 57 H ASN 57 64.986 0.415 -1.874 266 HA ASN 57 HA ASN 57 66.259 -1.846 -0.445 267 HB2 ASN 57 HB2 ASN 57 64.237 -1.860 -2.710 268 HB3 ASN 57 HB3 ASN 57 64.886 -3.286 -1.903 269 HD21 ASN 57 HD21 ASN 57 64.811 -2.483 0.796 270 HD22 ASN 57 HD22 ASN 57 63.200 -2.210 1.254 271 H VAL 58 H VAL 58 68.021 -2.850 -1.371 272 HA VAL 58 HA VAL 58 68.952 -1.704 -3.946 273 HB VAL 58 HB VAL 58 70.649 -2.179 -1.493 274 HG11 VAL 58 HG11 VAL 58 71.165 -1.211 -4.289 275 HG12 VAL 58 HG12 VAL 58 72.104 -2.337 -3.312 276 HG13 VAL 58 HG13 VAL 58 72.170 -0.608 -2.972 277 HG21 VAL 58 HG21 VAL 58 70.702 0.208 -1.177 278 HG22 VAL 58 HG22 VAL 58 69.005 -0.250 -1.288 279 HG23 VAL 58 HG23 VAL 58 69.812 0.485 -2.674 280 H THR 59 H THR 59 69.907 -3.049 -5.330 281 HA THR 59 HA THR 59 70.571 -5.792 -4.420 282 HB THR 59 HB THR 59 69.694 -4.905 -7.181 283 HG1 THR 59 HG1 THR 59 67.994 -4.918 -5.777 284 HG21 THR 59 HG21 THR 59 70.947 -6.808 -7.591 285 HG22 THR 59 HG22 THR 59 69.381 -7.536 -7.238 286 HG23 THR 59 HG23 THR 59 70.631 -7.490 -5.995 287 H LYS 60 H LYS 60 72.660 -6.306 -4.558 288 HA LYS 60 HA LYS 60 74.538 -4.525 -5.862 289 HB2 LYS 60 HB2 LYS 60 74.926 -7.118 -4.352 290 HB3 LYS 60 HB3 LYS 60 76.234 -6.102 -4.956 291 HG2 LYS 60 HG2 LYS 60 75.324 -4.204 -3.612 292 HG3 LYS 60 HG3 LYS 60 74.124 -5.305 -2.933 293 HD2 LYS 60 HD2 LYS 60 75.978 -6.769 -2.122 294 HD3 LYS 60 HD3 LYS 60 77.135 -5.567 -2.695 295 HE2 LYS 60 HE2 LYS 60 75.773 -3.895 -1.239 296 HE3 LYS 60 HE3 LYS 60 75.141 -5.339 -0.449 297 HZ1 LYS 60 HZ1 LYS 60 77.994 -4.561 -0.704 298 HZ2 LYS 60 HZ2 LYS 60 77.455 -6.039 -0.063 299 HZ3 LYS 60 HZ3 LYS 60 77.072 -4.580 0.719 300 H LYS 61 H LYS 61 76.131 -5.275 -7.421 301 HA LYS 61 HA LYS 61 75.093 -6.629 -9.615 302 HB2 LYS 61 HB2 LYS 61 77.327 -6.648 -10.509 303 HB3 LYS 61 HB3 LYS 61 77.077 -5.135 -9.644 304 HG2 LYS 61 HG2 LYS 61 78.225 -6.137 -7.658 305 HG3 LYS 61 HG3 LYS 61 78.570 -7.571 -8.625 306 HD2 LYS 61 HD2 LYS 61 79.677 -6.003 -10.309 307 HD3 LYS 61 HD3 LYS 61 79.571 -4.752 -9.071 308 HE2 LYS 61 HE2 LYS 61 80.749 -6.406 -7.510 309 HE3 LYS 61 HE3 LYS 61 81.100 -7.355 -8.954 310 HZ1 LYS 61 HZ1 LYS 61 81.799 -4.488 -8.655 311 HZ2 LYS 61 HZ2 LYS 61 82.283 -5.542 -9.896 312 HZ3 LYS 61 HZ3 LYS 61 82.872 -5.757 -8.317 313 H ASP 62 H ASP 62 76.476 -7.987 -6.719 314 HA ASP 62 HA ASP 62 76.966 -10.575 -7.969 315 HB2 ASP 62 HB2 ASP 62 78.489 -9.567 -6.242 316 HB3 ASP 62 HB3 ASP 62 77.214 -9.836 -5.055 317 H SER 63 H SER 63 74.132 -9.338 -7.379 318 HA SER 63 HA SER 63 72.071 -10.277 -7.116 319 HB2 SER 63 HB2 SER 63 73.198 -12.352 -8.076 320 HB3 SER 63 HB3 SER 63 73.353 -12.907 -6.412 321 HG SER 63 HG SER 63 71.120 -12.734 -6.274 322 H ASN 64 H ASN 64 74.324 -10.042 -4.615 323 HA ASN 64 HA ASN 64 72.724 -11.071 -2.474 324 HB2 ASN 64 HB2 ASN 64 74.948 -9.015 -2.455 325 HB3 ASN 64 HB3 ASN 64 74.270 -9.799 -1.029 326 HD21 ASN 64 HD21 ASN 64 77.067 -9.979 -2.236 327 HD22 ASN 64 HD22 ASN 64 77.327 -11.642 -2.451 328 H ARG 65 H ARG 65 71.159 -10.048 -1.271 329 HA ARG 65 HA ARG 65 70.363 -7.344 -2.199 330 HB2 ARG 65 HB2 ARG 65 68.703 -9.597 -1.055 331 HB3 ARG 65 HB3 ARG 65 68.087 -7.990 -1.440 332 HG2 ARG 65 HG2 ARG 65 68.865 -8.304 -3.796 333 HG3 ARG 65 HG3 ARG 65 69.326 -9.957 -3.386 334 HD2 ARG 65 HD2 ARG 65 66.536 -8.784 -3.214 335 HD3 ARG 65 HD3 ARG 65 67.105 -9.942 -4.412 336 HE ARG 65 HE ARG 65 67.535 -10.983 -1.815 337 HH11 ARG 65 HH11 ARG 65 64.893 -10.321 -4.030 338 HH12 ARG 65 HH12 ARG 65 63.888 -11.561 -3.360 339 HH21 ARG 65 HH21 ARG 65 66.195 -12.565 -0.993 340 HH22 ARG 65 HH22 ARG 65 64.617 -12.815 -1.661 341 H TYR 66 H TYR 66 69.845 -5.769 -0.746 342 HA TYR 66 HA TYR 66 69.706 -6.391 2.089 343 HB2 TYR 66 HB2 TYR 66 71.457 -4.952 2.792 344 HB3 TYR 66 HB3 TYR 66 72.122 -6.051 1.605 345 HD1 TYR 66 HD1 TYR 66 71.078 -2.569 2.266 346 HD2 TYR 66 HD2 TYR 66 73.000 -5.239 -0.494 347 HE1 TYR 66 HE1 TYR 66 71.991 -0.626 1.025 348 HE2 TYR 66 HE2 TYR 66 73.910 -3.297 -1.737 349 HH TYR 66 HH TYR 66 74.402 -0.898 -1.239 350 H THR 67 H THR 67 69.113 -4.472 3.385 351 HA THR 67 HA THR 67 67.594 -2.480 1.807 352 HB THR 67 HB THR 67 66.743 -3.704 4.442 353 HG1 THR 67 HG1 THR 67 65.416 -4.895 3.228 354 HG21 THR 67 HG21 THR 67 65.571 -1.665 2.558 355 HG22 THR 67 HG22 THR 67 65.804 -1.545 4.302 356 HG23 THR 67 HG23 THR 67 64.543 -2.593 3.651 357 H THR 68 H THR 68 67.856 -0.395 2.404 358 HA THR 68 HA THR 68 69.367 0.149 4.902 359 HB THR 68 HB THR 68 70.861 0.336 2.961 360 HG1 THR 68 HG1 THR 68 70.104 2.610 4.327 361 HG21 THR 68 HG21 THR 68 68.938 2.479 2.012 362 HG22 THR 68 HG22 THR 68 69.119 0.885 1.278 363 HG23 THR 68 HG23 THR 68 70.460 2.030 1.243 364 H TYR 69 H TYR 69 68.835 1.982 6.032 365 HA TYR 69 HA TYR 69 66.336 3.324 5.201 366 HB2 TYR 69 HB2 TYR 69 67.693 3.241 7.900 367 HB3 TYR 69 HB3 TYR 69 66.155 4.006 7.546 368 HD1 TYR 69 HD1 TYR 69 67.921 0.820 8.034 369 HD2 TYR 69 HD2 TYR 69 64.140 2.668 7.174 370 HE1 TYR 69 HE1 TYR 69 66.764 -1.321 8.517 371 HE2 TYR 69 HE2 TYR 69 62.984 0.527 7.656 372 HH TYR 69 HH TYR 69 64.775 -2.378 8.405 373 H ILE 70 H ILE 70 66.245 5.555 4.964 374 HA ILE 70 HA ILE 70 68.837 6.893 4.791 375 HB ILE 70 HB ILE 70 66.160 8.057 4.030 376 HG12 ILE 70 HG12 ILE 70 68.095 6.653 2.165 377 HG13 ILE 70 HG13 ILE 70 66.654 5.869 2.817 378 HG21 ILE 70 HG21 ILE 70 68.300 9.457 4.335 379 HG22 ILE 70 HG22 ILE 70 67.443 9.625 2.803 380 HG23 ILE 70 HG23 ILE 70 68.897 8.631 2.896 381 HD11 ILE 70 HD11 ILE 70 65.897 6.732 0.766 382 HD12 ILE 70 HD12 ILE 70 66.827 8.219 0.943 383 HD13 ILE 70 HD13 ILE 70 65.387 7.957 1.927 384 HA PRO 71 HA PRO 71 67.757 8.613 8.912 385 HB2 PRO 71 HB2 PRO 71 69.875 10.471 8.940 386 HB3 PRO 71 HB3 PRO 71 69.891 8.846 9.643 387 HG2 PRO 71 HG2 PRO 71 71.000 9.803 7.081 388 HG3 PRO 71 HG3 PRO 71 71.570 8.516 8.157 389 HD2 PRO 71 HD2 PRO 71 70.307 7.973 5.823 390 HD3 PRO 71 HD3 PRO 71 70.143 6.925 7.242 391 H VAL 72 H VAL 72 68.765 10.684 6.193 392 HA VAL 72 HA VAL 72 66.354 12.302 6.609 393 HB VAL 72 HB VAL 72 69.105 13.492 6.147 394 HG11 VAL 72 HG11 VAL 72 67.839 15.636 6.574 395 HG12 VAL 72 HG12 VAL 72 66.346 14.702 6.486 396 HG13 VAL 72 HG13 VAL 72 67.397 14.822 5.075 397 HG21 VAL 72 HG21 VAL 72 68.575 14.537 8.439 398 HG22 VAL 72 HG22 VAL 72 69.037 12.834 8.433 399 HG23 VAL 72 HG23 VAL 72 67.340 13.287 8.593 400 H GLN 73 H GLN 73 65.409 12.977 4.697 401 HA GLN 73 HA GLN 73 65.955 11.517 2.365 402 HB2 GLN 73 HB2 GLN 73 64.460 14.128 2.710 403 HB3 GLN 73 HB3 GLN 73 64.442 13.152 1.241 404 HG2 GLN 73 HG2 GLN 73 63.499 11.260 2.468 405 HG3 GLN 73 HG3 GLN 73 63.588 12.166 3.976 406 HE21 GLN 73 HE21 GLN 73 61.101 11.146 2.978 407 HE22 GLN 73 HE22 GLN 73 60.120 12.465 2.551 408 H ASP 74 H ASP 74 67.333 11.788 0.725 409 HA ASP 74 HA ASP 74 68.945 14.278 0.650 410 HB2 ASP 74 HB2 ASP 74 69.935 11.919 1.357 411 HB3 ASP 74 HB3 ASP 74 70.011 11.686 -0.385 412 HA PRO 75 HA PRO 75 66.744 14.042 -3.438 413 HB2 PRO 75 HB2 PRO 75 67.615 16.897 -3.415 414 HB3 PRO 75 HB3 PRO 75 66.042 16.199 -3.855 415 HG2 PRO 75 HG2 PRO 75 66.323 17.464 -1.567 416 HG3 PRO 75 HG3 PRO 75 65.383 15.960 -1.646 417 HD2 PRO 75 HD2 PRO 75 68.188 16.362 -0.635 418 HD3 PRO 75 HD3 PRO 75 66.880 15.364 0.047 419 H LYS 76 H LYS 76 69.871 15.349 -2.505 420 HA LYS 76 HA LYS 76 70.999 15.619 -5.098 421 HB2 LYS 76 HB2 LYS 76 71.944 16.647 -3.032 422 HB3 LYS 76 HB3 LYS 76 72.440 15.040 -2.502 423 HG2 LYS 76 HG2 LYS 76 73.778 14.793 -4.584 424 HG3 LYS 76 HG3 LYS 76 73.338 16.440 -5.037 425 HD2 LYS 76 HD2 LYS 76 74.345 17.240 -2.884 426 HD3 LYS 76 HD3 LYS 76 74.911 15.595 -2.588 427 HE2 LYS 76 HE2 LYS 76 76.753 16.700 -3.609 428 HE3 LYS 76 HE3 LYS 76 76.028 15.735 -4.895 429 HZ1 LYS 76 HZ1 LYS 76 75.399 18.593 -4.405 430 HZ2 LYS 76 HZ2 LYS 76 74.894 17.645 -5.722 431 HZ3 LYS 76 HZ3 LYS 76 76.534 18.052 -5.544 432 H LEU 77 H LEU 77 70.517 12.843 -3.026 433 HA LEU 77 HA LEU 77 72.532 11.146 -3.958 434 HB2 LEU 77 HB2 LEU 77 71.041 10.683 -2.016 435 HB3 LEU 77 HB3 LEU 77 69.727 10.353 -3.145 436 HG LEU 77 HG LEU 77 71.225 8.612 -4.220 437 HD11 LEU 77 HD11 LEU 77 73.397 9.245 -3.492 438 HD12 LEU 77 HD12 LEU 77 73.032 7.777 -2.585 439 HD13 LEU 77 HD13 LEU 77 72.887 9.353 -1.808 440 HD21 LEU 77 HD21 LEU 77 69.421 8.007 -2.651 441 HD22 LEU 77 HD22 LEU 77 70.516 8.253 -1.290 442 HD23 LEU 77 HD23 LEU 77 70.814 6.945 -2.436 443 H LEU 78 H LEU 78 69.382 11.936 -5.352 444 HA LEU 78 HA LEU 78 69.223 9.851 -7.238 445 HB2 LEU 78 HB2 LEU 78 68.203 12.693 -7.486 446 HB3 LEU 78 HB3 LEU 78 67.670 11.316 -8.451 447 HG LEU 78 HG LEU 78 67.440 11.488 -5.432 448 HD11 LEU 78 HD11 LEU 78 65.487 12.042 -7.671 449 HD12 LEU 78 HD12 LEU 78 65.898 13.075 -6.302 450 HD13 LEU 78 HD13 LEU 78 64.945 11.612 -6.049 451 HD21 LEU 78 HD21 LEU 78 66.708 9.448 -7.520 452 HD22 LEU 78 HD22 LEU 78 65.745 9.571 -6.047 453 HD23 LEU 78 HD23 LEU 78 67.466 9.202 -5.947 454 H ASP 79 H ASP 79 70.610 13.115 -7.490 455 HA ASP 79 HA ASP 79 71.325 12.958 -10.213 456 HB2 ASP 79 HB2 ASP 79 72.559 14.568 -7.967 457 HB3 ASP 79 HB3 ASP 79 72.899 14.813 -9.678 458 H ASN 80 H ASN 80 73.117 12.124 -7.270 459 HA ASN 80 HA ASN 80 75.595 11.585 -8.468 460 HB2 ASN 80 HB2 ASN 80 74.959 11.717 -5.970 461 HB3 ASN 80 HB3 ASN 80 74.526 10.017 -6.132 462 HD21 ASN 80 HD21 ASN 80 76.353 9.510 -4.642 463 HD22 ASN 80 HD22 ASN 80 77.943 9.499 -5.238 464 H LEU 81 H LEU 81 72.881 9.369 -7.776 465 HA LEU 81 HA LEU 81 74.086 7.020 -8.733 466 HB2 LEU 81 HB2 LEU 81 71.159 7.793 -8.745 467 HB3 LEU 81 HB3 LEU 81 71.784 6.158 -8.957 468 HG LEU 81 HG LEU 81 72.311 7.876 -6.515 469 HD11 LEU 81 HD11 LEU 81 69.943 7.313 -6.610 470 HD12 LEU 81 HD12 LEU 81 70.720 6.293 -5.399 471 HD13 LEU 81 HD13 LEU 81 70.324 5.633 -6.985 472 HD21 LEU 81 HD21 LEU 81 74.044 6.292 -6.630 473 HD22 LEU 81 HD22 LEU 81 73.003 5.068 -7.356 474 HD23 LEU 81 HD23 LEU 81 72.838 5.464 -5.645 475 H LEU 82 H LEU 82 72.362 9.591 -10.457 476 HA LEU 82 HA LEU 82 72.192 8.175 -12.928 477 HB2 LEU 82 HB2 LEU 82 72.207 11.159 -12.391 478 HB3 LEU 82 HB3 LEU 82 71.788 10.412 -13.933 479 HG LEU 82 HG LEU 82 70.356 9.836 -11.324 480 HD11 LEU 82 HD11 LEU 82 69.856 12.107 -11.880 481 HD12 LEU 82 HD12 LEU 82 68.499 11.157 -12.485 482 HD13 LEU 82 HD13 LEU 82 69.740 11.733 -13.599 483 HD21 LEU 82 HD21 LEU 82 68.628 8.969 -13.019 484 HD22 LEU 82 HD22 LEU 82 70.082 7.993 -12.810 485 HD23 LEU 82 HD23 LEU 82 69.925 9.050 -14.212 486 H THR 83 H THR 83 74.616 10.441 -11.631 487 HA THR 83 HA THR 83 76.227 10.580 -13.919 488 HB THR 83 HB THR 83 77.169 10.643 -11.045 489 HG1 THR 83 HG1 THR 83 76.427 12.618 -11.030 490 HG21 THR 83 HG21 THR 83 78.286 11.615 -13.675 491 HG22 THR 83 HG22 THR 83 79.064 10.592 -12.467 492 HG23 THR 83 HG23 THR 83 78.805 12.305 -12.138 493 H LYS 84 H LYS 84 76.050 8.109 -11.414 494 HA LYS 84 HA LYS 84 78.369 6.698 -12.438 495 HB2 LYS 84 HB2 LYS 84 76.380 5.985 -10.284 496 HB3 LYS 84 HB3 LYS 84 77.754 4.974 -10.734 497 HG2 LYS 84 HG2 LYS 84 79.272 6.904 -10.271 498 HG3 LYS 84 HG3 LYS 84 77.877 7.821 -9.700 499 HD2 LYS 84 HD2 LYS 84 77.447 6.042 -8.006 500 HD3 LYS 84 HD3 LYS 84 78.919 5.223 -8.533 501 HE2 LYS 84 HE2 LYS 84 79.503 6.552 -6.613 502 HE3 LYS 84 HE3 LYS 84 80.176 7.360 -8.029 503 HZ1 LYS 84 HZ1 LYS 84 78.269 8.828 -8.067 504 HZ2 LYS 84 HZ2 LYS 84 79.043 8.912 -6.557 505 HZ3 LYS 84 HZ3 LYS 84 77.597 8.038 -6.724 506 H ASN 85 H ASN 85 75.330 6.927 -13.685 507 HA ASN 85 HA ASN 85 74.052 5.644 -15.068 508 HB2 ASN 85 HB2 ASN 85 76.569 3.984 -15.357 509 HB3 ASN 85 HB3 ASN 85 75.190 4.001 -16.452 510 HD21 ASN 85 HD21 ASN 85 78.192 4.973 -16.623 511 HD22 ASN 85 HD22 ASN 85 78.034 6.507 -17.334 512 H VAL 86 H VAL 86 73.868 5.119 -12.301 513 HA VAL 86 HA VAL 86 73.534 2.208 -12.127 514 HB VAL 86 HB VAL 86 73.082 4.349 -10.030 515 HG11 VAL 86 HG11 VAL 86 71.829 2.367 -9.485 516 HG12 VAL 86 HG12 VAL 86 73.290 2.339 -8.497 517 HG13 VAL 86 HG13 VAL 86 73.177 1.322 -9.934 518 HG21 VAL 86 HG21 VAL 86 75.460 4.113 -10.863 519 HG22 VAL 86 HG22 VAL 86 75.414 2.433 -10.330 520 HG23 VAL 86 HG23 VAL 86 75.250 3.736 -9.153 521 H LYS 87 H LYS 87 71.499 1.227 -11.888 522 HA LYS 87 HA LYS 87 69.352 2.582 -13.216 523 HB2 LYS 87 HB2 LYS 87 69.730 0.105 -13.318 524 HB3 LYS 87 HB3 LYS 87 69.234 0.006 -11.627 525 HG2 LYS 87 HG2 LYS 87 67.059 1.055 -12.232 526 HG3 LYS 87 HG3 LYS 87 67.551 1.045 -13.926 527 HD2 LYS 87 HD2 LYS 87 67.842 -1.442 -13.767 528 HD3 LYS 87 HD3 LYS 87 67.167 -1.372 -12.138 529 HE2 LYS 87 HE2 LYS 87 65.105 -0.337 -13.060 530 HE3 LYS 87 HE3 LYS 87 65.773 -0.495 -14.684 531 HZ1 LYS 87 HZ1 LYS 87 64.773 -2.476 -14.660 532 HZ2 LYS 87 HZ2 LYS 87 64.610 -2.498 -12.969 533 HZ3 LYS 87 HZ3 LYS 87 66.072 -2.978 -13.691 534 H VAL 88 H VAL 88 67.636 3.657 -12.372 535 HA VAL 88 HA VAL 88 67.373 3.723 -9.421 536 HB VAL 88 HB VAL 88 67.217 6.131 -11.256 537 HG11 VAL 88 HG11 VAL 88 65.756 6.155 -9.209 538 HG12 VAL 88 HG12 VAL 88 66.996 7.409 -9.204 539 HG13 VAL 88 HG13 VAL 88 67.208 5.955 -8.228 540 HG21 VAL 88 HG21 VAL 88 69.261 6.771 -9.756 541 HG22 VAL 88 HG22 VAL 88 69.517 5.676 -11.114 542 HG23 VAL 88 HG23 VAL 88 69.386 5.034 -9.477 543 H VAL 89 H VAL 89 65.394 3.420 -8.712 544 HA VAL 89 HA VAL 89 63.112 3.828 -10.569 545 HB VAL 89 HB VAL 89 63.262 1.820 -8.307 546 HG11 VAL 89 HG11 VAL 89 61.283 2.211 -10.570 547 HG12 VAL 89 HG12 VAL 89 61.005 2.626 -8.879 548 HG13 VAL 89 HG13 VAL 89 61.209 0.939 -9.351 549 HG21 VAL 89 HG21 VAL 89 64.727 0.876 -9.862 550 HG22 VAL 89 HG22 VAL 89 63.883 1.583 -11.240 551 HG23 VAL 89 HG23 VAL 89 63.180 0.210 -10.385 552 H GLY 90 H GLY 90 61.515 5.164 -9.830 553 HA2 GLY 90 HA2 GLY 90 61.669 6.019 -6.986 554 HA3 GLY 90 HA3 GLY 90 61.246 7.100 -8.308 555 H GLU 91 H GLU 91 59.928 5.622 -5.786 556 HA GLU 91 HA GLU 91 57.274 5.850 -6.955 557 HB2 GLU 91 HB2 GLU 91 58.321 3.283 -5.751 558 HB3 GLU 91 HB3 GLU 91 56.597 3.643 -5.855 559 HG2 GLU 91 HG2 GLU 91 56.917 4.029 -8.331 560 HG3 GLU 91 HG3 GLU 91 58.558 3.413 -8.150 561 HA PRO 92 HA PRO 92 57.831 7.615 -2.681 562 HB2 PRO 92 HB2 PRO 92 56.067 9.719 -3.138 563 HB3 PRO 92 HB3 PRO 92 57.825 9.803 -3.346 564 HG2 PRO 92 HG2 PRO 92 55.702 9.406 -5.383 565 HG3 PRO 92 HG3 PRO 92 57.205 10.341 -5.480 566 HD2 PRO 92 HD2 PRO 92 56.984 7.920 -6.651 567 HD3 PRO 92 HD3 PRO 92 58.513 8.471 -5.926 568 HA PRO 93 HA PRO 93 54.178 5.551 -1.152 569 HB2 PRO 93 HB2 PRO 93 53.965 7.783 0.831 570 HB3 PRO 93 HB3 PRO 93 53.966 6.028 1.106 571 HG2 PRO 93 HG2 PRO 93 56.108 7.444 1.670 572 HG3 PRO 93 HG3 PRO 93 56.265 5.860 0.882 573 HD2 PRO 93 HD2 PRO 93 56.517 8.593 -0.335 574 HD3 PRO 93 HD3 PRO 93 57.458 7.119 -0.668 575 H GLU 94 H GLU 94 51.956 5.673 -1.480 576 HA GLU 94 HA GLU 94 51.033 8.123 -2.820 577 HB2 GLU 94 HB2 GLU 94 49.870 5.328 -2.760 578 HB3 GLU 94 HB3 GLU 94 49.209 6.686 -3.673 579 HG2 GLU 94 HG2 GLU 94 51.374 6.891 -4.881 580 HG3 GLU 94 HG3 GLU 94 51.964 5.476 -4.021 581 H GLU 95 H GLU 95 49.753 9.495 -1.795 582 HA GLU 95 HA GLU 95 47.783 8.460 0.126 583 HB2 GLU 95 HB2 GLU 95 49.771 9.309 1.386 584 HB3 GLU 95 HB3 GLU 95 49.502 10.895 0.662 585 HG2 GLU 95 HG2 GLU 95 47.137 10.788 1.591 586 HG3 GLU 95 HG3 GLU 95 47.651 9.376 2.511 587 HA PRO 96 HA PRO 96 46.167 11.428 -3.119 588 HB2 PRO 96 HB2 PRO 96 43.800 10.075 -3.562 589 HB3 PRO 96 HB3 PRO 96 45.294 9.804 -4.477 590 HG2 PRO 96 HG2 PRO 96 44.152 8.240 -2.222 591 HG3 PRO 96 HG3 PRO 96 44.972 7.678 -3.692 592 HD2 PRO 96 HD2 PRO 96 46.239 7.770 -1.299 593 HD3 PRO 96 HD3 PRO 96 47.092 8.066 -2.831 594 H LEU 97 H LEU 97 45.127 13.202 -2.446 595 HA LEU 97 HA LEU 97 43.710 13.299 0.040 596 HB2 LEU 97 HB2 LEU 97 43.858 15.350 -2.182 597 HB3 LEU 97 HB3 LEU 97 43.301 15.645 -0.535 598 HG LEU 97 HG LEU 97 46.078 14.668 -1.263 599 HD11 LEU 97 HD11 LEU 97 46.794 16.947 -0.631 600 HD12 LEU 97 HD12 LEU 97 45.110 17.407 -0.388 601 HD13 LEU 97 HD13 LEU 97 45.685 16.991 -2.002 602 HD21 LEU 97 HD21 LEU 97 44.665 15.336 1.313 603 HD22 LEU 97 HD22 LEU 97 46.415 15.516 1.187 604 HD23 LEU 97 HD23 LEU 97 45.671 13.937 0.935 605 H GLU 98 H GLU 98 42.756 13.107 -3.349 606 HA GLU 98 HA GLU 98 40.090 13.897 -3.151 607 HB2 GLU 98 HB2 GLU 98 41.342 13.483 -5.270 608 HB3 GLU 98 HB3 GLU 98 41.187 11.751 -4.975 609 HG2 GLU 98 HG2 GLU 98 38.712 12.017 -4.903 610 HG3 GLU 98 HG3 GLU 98 38.905 13.718 -5.297 611 H HIS 99 H HIS 99 41.578 10.795 -2.363 612 HA HIS 99 HA HIS 99 38.920 9.627 -1.871 613 HB2 HIS 99 HB2 HIS 99 41.671 8.387 -1.959 614 HB3 HIS 99 HB3 HIS 99 40.200 7.510 -1.583 615 HD1 HIS 99 HD1 HIS 99 42.134 8.996 -4.403 616 HD2 HIS 99 HD2 HIS 99 38.471 7.084 -3.844 617 HE1 HIS 99 HE1 HIS 99 41.288 8.384 -6.708 618 H HIS 100 H HIS 100 38.310 10.558 0.061 619 HA HIS 100 HA HIS 100 39.885 10.914 2.343 620 HB2 HIS 100 HB2 HIS 100 36.936 10.323 2.115 621 HB3 HIS 100 HB3 HIS 100 37.731 10.864 3.581 622 HD1 HIS 100 HD1 HIS 100 36.507 12.041 0.257 623 HD2 HIS 100 HD2 HIS 100 38.514 13.625 3.549 624 HE1 HIS 100 HE1 HIS 100 36.474 14.556 -0.027 625 H HIS 101 H HIS 101 38.387 7.997 1.091 626 HA HIS 101 HA HIS 101 38.261 6.451 3.416 627 HB2 HIS 101 HB2 HIS 101 37.291 5.809 1.238 628 HB3 HIS 101 HB3 HIS 101 38.905 5.542 0.609 629 HD1 HIS 101 HD1 HIS 101 36.783 4.283 3.527 630 HD2 HIS 101 HD2 HIS 101 39.670 2.910 0.851 631 HE1 HIS 101 HE1 HIS 101 37.083 1.815 4.003 632 H HIS 102 H HIS 102 40.984 7.101 1.252 633 HA HIS 102 HA HIS 102 42.763 5.155 2.180 634 HB2 HIS 102 HB2 HIS 102 43.132 6.591 0.196 635 HB3 HIS 102 HB3 HIS 102 43.420 7.954 1.261 636 HD1 HIS 102 HD1 HIS 102 44.858 4.492 0.575 637 HD2 HIS 102 HD2 HIS 102 46.073 8.220 1.993 638 HE1 HIS 102 HE1 HIS 102 47.363 4.348 0.909 639 H HIS 103 H HIS 103 42.020 8.371 3.463 640 HA HIS 103 HA HIS 103 44.086 8.536 5.363 641 HB2 HIS 103 HB2 HIS 103 41.295 9.679 5.370 642 HB3 HIS 103 HB3 HIS 103 42.512 10.084 6.564 643 HD1 HIS 103 HD1 HIS 103 41.699 10.490 2.905 644 HD2 HIS 103 HD2 HIS 103 44.447 11.937 5.685 645 HE1 HIS 103 HE1 HIS 103 42.914 12.404 1.780 646 H HIS 104 H HIS 104 44.195 7.998 7.540 647 HA HIS 104 HA HIS 104 42.420 5.791 8.345 648 HB2 HIS 104 HB2 HIS 104 44.868 5.406 8.336 649 HB3 HIS 104 HB3 HIS 104 45.055 6.691 9.515 650 HD1 HIS 104 HD1 HIS 104 43.070 3.438 9.226 651 HD2 HIS 104 HD2 HIS 104 45.103 5.698 12.079 652 HE1 HIS 104 HE1 HIS 104 42.970 2.121 11.385 Start of MODEL 5 1 H1 MET 23 HT1 MET 23 69.967 -7.826 10.300 2 H2 MET 23 HT2 MET 23 70.901 -9.079 9.635 3 H3 MET 23 HT3 MET 23 71.653 -7.665 10.204 4 HA MET 23 HA MET 23 71.912 -9.539 11.745 5 HB2 MET 23 HB2 MET 23 71.772 -7.082 12.443 6 HB3 MET 23 HB3 MET 23 70.101 -7.411 12.902 7 HG2 MET 23 HG2 MET 23 70.943 -9.290 14.350 8 HG3 MET 23 HG3 MET 23 72.586 -8.754 13.999 9 HE1 MET 23 HE1 MET 23 72.134 -5.513 13.838 10 HE2 MET 23 HE2 MET 23 73.484 -6.515 14.368 11 HE3 MET 23 HE3 MET 23 72.852 -5.264 15.435 12 H ALA 24 H ALA 24 68.562 -8.492 11.198 13 HA ALA 24 HA ALA 24 67.441 -10.587 12.826 14 HB1 ALA 24 HB1 ALA 24 66.135 -8.770 10.785 15 HB2 ALA 24 HB2 ALA 24 66.264 -8.452 12.514 16 HB3 ALA 24 HB3 ALA 24 65.285 -9.800 11.937 17 H SER 25 H SER 25 67.105 -12.627 12.251 18 HA SER 25 HA SER 25 67.837 -13.699 9.759 19 HB2 SER 25 HB2 SER 25 65.950 -14.891 11.803 20 HB3 SER 25 HB3 SER 25 66.810 -15.764 10.539 21 HG SER 25 HG SER 25 67.950 -14.322 12.642 22 H GLU 26 H GLU 26 64.711 -12.598 10.987 23 HA GLU 26 HA GLU 26 63.061 -13.718 9.013 24 HB2 GLU 26 HB2 GLU 26 62.740 -11.145 10.572 25 HB3 GLU 26 HB3 GLU 26 61.463 -11.916 9.629 26 HG2 GLU 26 HG2 GLU 26 61.729 -13.973 11.004 27 HG3 GLU 26 HG3 GLU 26 62.930 -13.140 11.981 28 H SER 27 H SER 27 65.013 -10.765 8.988 29 HA SER 27 HA SER 27 63.781 -9.484 6.816 30 HB2 SER 27 HB2 SER 27 66.680 -9.401 7.684 31 HB3 SER 27 HB3 SER 27 65.921 -8.270 6.567 32 HG SER 27 HG SER 27 64.918 -8.750 9.116 33 H ASN 28 H ASN 28 63.700 -9.921 4.721 34 HA ASN 28 HA ASN 28 65.022 -12.073 3.463 35 HB2 ASN 28 HB2 ASN 28 64.197 -11.123 1.380 36 HB3 ASN 28 HB3 ASN 28 62.944 -11.057 2.617 37 HD21 ASN 28 HD21 ASN 28 62.994 -9.300 0.308 38 HD22 ASN 28 HD22 ASN 28 63.220 -7.717 0.878 39 H GLY 29 H GLY 29 66.036 -8.781 4.057 40 HA2 GLY 29 HA2 GLY 29 68.485 -9.264 2.462 41 HA3 GLY 29 HA3 GLY 29 67.639 -7.720 2.418 42 H ARG 30 H ARG 30 70.385 -8.325 3.240 43 HA ARG 30 HA ARG 30 70.699 -8.256 6.055 44 HB2 ARG 30 HB2 ARG 30 72.476 -7.133 3.874 45 HB3 ARG 30 HB3 ARG 30 72.951 -7.332 5.561 46 HG2 ARG 30 HG2 ARG 30 72.470 -9.771 5.375 47 HG3 ARG 30 HG3 ARG 30 72.119 -9.544 3.661 48 HD2 ARG 30 HD2 ARG 30 74.429 -8.570 3.398 49 HD3 ARG 30 HD3 ARG 30 74.756 -9.042 5.063 50 HE ARG 30 HE ARG 30 73.783 -11.260 3.565 51 HH11 ARG 30 HH11 ARG 30 76.683 -9.329 4.002 52 HH12 ARG 30 HH12 ARG 30 77.734 -10.622 3.529 53 HH21 ARG 30 HH21 ARG 30 75.187 -12.886 2.964 54 HH22 ARG 30 HH22 ARG 30 76.897 -12.610 2.949 55 H LYS 31 H LYS 31 70.943 -6.514 7.502 56 HA LYS 31 HA LYS 31 69.624 -4.043 6.724 57 HB2 LYS 31 HB2 LYS 31 70.945 -4.889 9.318 58 HB3 LYS 31 HB3 LYS 31 70.074 -3.373 9.085 59 HG2 LYS 31 HG2 LYS 31 68.047 -4.676 8.444 60 HG3 LYS 31 HG3 LYS 31 68.922 -6.164 8.806 61 HD2 LYS 31 HD2 LYS 31 69.286 -5.333 11.135 62 HD3 LYS 31 HD3 LYS 31 68.283 -3.933 10.756 63 HE2 LYS 31 HE2 LYS 31 66.408 -5.470 10.180 64 HE3 LYS 31 HE3 LYS 31 67.411 -6.836 10.669 65 HZ1 LYS 31 HZ1 LYS 31 65.831 -5.904 12.390 66 HZ2 LYS 31 HZ2 LYS 31 66.866 -4.560 12.478 67 HZ3 LYS 31 HZ3 LYS 31 67.445 -6.106 12.876 68 H VAL 32 H VAL 32 70.598 -2.151 6.187 69 HA VAL 32 HA VAL 32 73.520 -1.927 6.584 70 HB VAL 32 HB VAL 32 72.048 -1.304 4.012 71 HG11 VAL 32 HG11 VAL 32 74.984 -1.139 4.766 72 HG12 VAL 32 HG12 VAL 32 73.930 0.219 4.374 73 HG13 VAL 32 HG13 VAL 32 74.356 -0.955 3.129 74 HG21 VAL 32 HG21 VAL 32 72.263 -3.681 4.203 75 HG22 VAL 32 HG22 VAL 32 73.892 -3.551 4.862 76 HG23 VAL 32 HG23 VAL 32 73.593 -3.161 3.169 77 H ASP 33 H ASP 33 74.210 -0.031 7.275 78 HA ASP 33 HA ASP 33 72.390 2.116 7.872 79 HB2 ASP 33 HB2 ASP 33 75.403 1.892 8.088 80 HB3 ASP 33 HB3 ASP 33 74.457 3.240 8.710 81 H TYR 34 H TYR 34 72.389 4.222 6.969 82 HA TYR 34 HA TYR 34 72.632 4.435 4.209 83 HB2 TYR 34 HB2 TYR 34 71.305 5.988 5.500 84 HB3 TYR 34 HB3 TYR 34 72.726 6.572 6.337 85 HD1 TYR 34 HD1 TYR 34 72.324 5.916 2.681 86 HD2 TYR 34 HD2 TYR 34 72.751 8.864 5.773 87 HE1 TYR 34 HE1 TYR 34 72.625 7.676 0.964 88 HE2 TYR 34 HE2 TYR 34 73.036 10.628 4.053 89 HH TYR 34 HH TYR 34 72.713 11.022 1.755 90 H SER 35 H SER 35 75.043 5.162 6.713 91 HA SER 35 HA SER 35 76.912 6.495 5.099 92 HB2 SER 35 HB2 SER 35 77.492 4.646 7.426 93 HB3 SER 35 HB3 SER 35 78.557 5.894 6.788 94 HG SER 35 HG SER 35 76.483 6.119 8.454 95 H THR 36 H THR 36 76.430 3.040 5.727 96 HA THR 36 HA THR 36 78.766 2.161 4.348 97 HB THR 36 HB THR 36 76.201 0.635 4.861 98 HG1 THR 36 HG1 THR 36 76.853 0.799 6.817 99 HG21 THR 36 HG21 THR 36 77.984 -1.264 4.926 100 HG22 THR 36 HG22 THR 36 78.996 -0.122 4.042 101 HG23 THR 36 HG23 THR 36 77.462 -0.653 3.356 102 H PHE 37 H PHE 37 75.384 2.606 3.367 103 HA PHE 37 HA PHE 37 75.571 1.548 0.790 104 HB2 PHE 37 HB2 PHE 37 73.443 2.152 1.775 105 HB3 PHE 37 HB3 PHE 37 73.901 3.841 1.821 106 HD1 PHE 37 HD2 PHE 37 72.785 1.055 -0.320 107 HD2 PHE 37 HD1 PHE 37 73.884 5.205 -0.197 108 HE1 PHE 37 HE2 PHE 37 71.825 1.382 -2.585 109 HE2 PHE 37 HE1 PHE 37 72.925 5.528 -2.459 110 HZ PHE 37 HZ PHE 37 71.894 3.616 -3.653 111 H LEU 38 H LEU 38 76.302 4.846 1.934 112 HA LEU 38 HA LEU 38 76.710 5.999 -0.594 113 HB2 LEU 38 HB2 LEU 38 77.979 6.694 2.065 114 HB3 LEU 38 HB3 LEU 38 78.011 7.720 0.629 115 HG LEU 38 HG LEU 38 75.452 6.710 1.894 116 HD11 LEU 38 HD11 LEU 38 75.278 8.660 3.147 117 HD12 LEU 38 HD12 LEU 38 76.406 9.548 2.122 118 HD13 LEU 38 HD13 LEU 38 77.009 8.343 3.260 119 HD21 LEU 38 HD21 LEU 38 74.964 7.322 -0.314 120 HD22 LEU 38 HD22 LEU 38 76.173 8.605 -0.330 121 HD23 LEU 38 HD23 LEU 38 74.665 8.826 0.557 122 H GLN 39 H GLN 39 78.972 4.338 1.582 123 HA GLN 39 HA GLN 39 81.306 4.806 0.061 124 HB2 GLN 39 HB2 GLN 39 81.278 3.915 2.396 125 HB3 GLN 39 HB3 GLN 39 80.697 2.374 1.761 126 HG2 GLN 39 HG2 GLN 39 82.725 2.300 0.276 127 HG3 GLN 39 HG3 GLN 39 83.327 3.730 1.112 128 HE21 GLN 39 HE21 GLN 39 84.838 3.137 2.664 129 HE22 GLN 39 HE22 GLN 39 84.741 1.752 3.640 130 H GLU 40 H GLU 40 78.945 2.156 -0.048 131 HA GLU 40 HA GLU 40 80.283 0.594 -1.966 132 HB2 GLU 40 HB2 GLU 40 77.328 0.817 -1.362 133 HB3 GLU 40 HB3 GLU 40 78.061 -0.449 -2.353 134 HG2 GLU 40 HG2 GLU 40 79.519 -1.067 -0.431 135 HG3 GLU 40 HG3 GLU 40 78.695 0.135 0.553 136 H VAL 41 H VAL 41 77.892 3.188 -2.344 137 HA VAL 41 HA VAL 41 77.570 3.066 -5.113 138 HB VAL 41 HB VAL 41 77.559 5.498 -3.304 139 HG11 VAL 41 HG11 VAL 41 77.706 6.260 -5.579 140 HG12 VAL 41 HG12 VAL 41 76.013 6.400 -5.104 141 HG13 VAL 41 HG13 VAL 41 76.538 5.056 -6.122 142 HG21 VAL 41 HG21 VAL 41 75.144 4.041 -4.355 143 HG22 VAL 41 HG22 VAL 41 75.285 5.075 -2.934 144 HG23 VAL 41 HG23 VAL 41 75.964 3.449 -2.912 145 H ASN 42 H ASN 42 79.956 4.897 -3.189 146 HA ASN 42 HA ASN 42 81.332 6.093 -5.315 147 HB2 ASN 42 HB2 ASN 42 82.357 5.179 -2.619 148 HB3 ASN 42 HB3 ASN 42 83.232 6.245 -3.718 149 HD21 ASN 42 HD21 ASN 42 81.471 6.459 -0.977 150 HD22 ASN 42 HD22 ASN 42 80.699 7.949 -1.225 151 H ASN 43 H ASN 43 81.556 2.844 -4.000 152 HA ASN 43 HA ASN 43 83.911 2.189 -5.576 153 HB2 ASN 43 HB2 ASN 43 82.132 0.494 -3.818 154 HB3 ASN 43 HB3 ASN 43 83.587 -0.089 -4.621 155 HD21 ASN 43 HD21 ASN 43 83.272 -0.014 -1.735 156 HD22 ASN 43 HD22 ASN 43 84.413 1.086 -1.127 157 H ASP 44 H ASP 44 80.904 2.675 -6.648 158 HA ASP 44 HA ASP 44 79.604 1.876 -8.352 159 HB2 ASP 44 HB2 ASP 44 81.743 2.504 -9.500 160 HB3 ASP 44 HB3 ASP 44 82.236 0.815 -9.390 161 H GLN 45 H GLN 45 79.847 0.085 -6.073 162 HA GLN 45 HA GLN 45 79.825 -2.571 -7.287 163 HB2 GLN 45 HB2 GLN 45 79.430 -1.698 -4.419 164 HB3 GLN 45 HB3 GLN 45 79.453 -3.371 -4.971 165 HG2 GLN 45 HG2 GLN 45 81.718 -1.385 -5.310 166 HG3 GLN 45 HG3 GLN 45 81.663 -2.672 -4.108 167 HE21 GLN 45 HE21 GLN 45 83.027 -1.982 -7.033 168 HE22 GLN 45 HE22 GLN 45 83.153 -3.550 -7.671 169 H VAL 46 H VAL 46 77.528 -0.119 -6.407 170 HA VAL 46 HA VAL 46 75.311 -1.962 -6.096 171 HB VAL 46 HB VAL 46 75.287 1.057 -6.387 172 HG11 VAL 46 HG11 VAL 46 73.093 0.233 -6.814 173 HG12 VAL 46 HG12 VAL 46 73.085 0.712 -5.116 174 HG13 VAL 46 HG13 VAL 46 73.225 -0.992 -5.552 175 HG21 VAL 46 HG21 VAL 46 75.298 -0.703 -3.913 176 HG22 VAL 46 HG22 VAL 46 75.075 1.046 -3.913 177 HG23 VAL 46 HG23 VAL 46 76.610 0.353 -4.437 178 H ARG 47 H ARG 47 73.756 -2.452 -7.577 179 HA ARG 47 HA ARG 47 74.284 -1.613 -10.356 180 HB2 ARG 47 HB2 ARG 47 74.357 -4.046 -9.821 181 HB3 ARG 47 HB3 ARG 47 72.668 -3.954 -9.327 182 HG2 ARG 47 HG2 ARG 47 72.071 -3.141 -11.599 183 HG3 ARG 47 HG3 ARG 47 73.757 -3.325 -12.087 184 HD2 ARG 47 HD2 ARG 47 73.627 -5.741 -11.471 185 HD3 ARG 47 HD3 ARG 47 71.915 -5.530 -11.121 186 HE ARG 47 HE ARG 47 72.500 -4.603 -13.742 187 HH11 ARG 47 HH11 ARG 47 72.137 -7.599 -11.949 188 HH12 ARG 47 HH12 ARG 47 71.671 -8.500 -13.353 189 HH21 ARG 47 HH21 ARG 47 71.894 -5.814 -15.514 190 HH22 ARG 47 HH22 ARG 47 71.535 -7.500 -15.346 191 H GLU 48 H GLU 48 71.651 -2.200 -8.046 192 HA GLU 48 HA GLU 48 69.936 -0.335 -9.572 193 HB2 GLU 48 HB2 GLU 48 69.361 -2.698 -10.114 194 HB3 GLU 48 HB3 GLU 48 69.044 -2.980 -8.402 195 HG2 GLU 48 HG2 GLU 48 67.340 -1.177 -8.447 196 HG3 GLU 48 HG3 GLU 48 67.617 -0.975 -10.172 197 H ALA 49 H ALA 49 68.674 1.004 -8.364 198 HA ALA 49 HA ALA 49 68.412 0.471 -5.477 199 HB1 ALA 49 HB1 ALA 49 69.002 3.225 -6.564 200 HB2 ALA 49 HB2 ALA 49 70.269 2.143 -5.984 201 HB3 ALA 49 HB3 ALA 49 69.006 2.694 -4.881 202 H ARG 50 H ARG 50 66.326 0.283 -5.100 203 HA ARG 50 HA ARG 50 64.365 1.873 -6.600 204 HB2 ARG 50 HB2 ARG 50 64.075 -0.381 -4.597 205 HB3 ARG 50 HB3 ARG 50 62.716 0.453 -5.346 206 HG2 ARG 50 HG2 ARG 50 63.623 -0.194 -7.590 207 HG3 ARG 50 HG3 ARG 50 64.873 -1.132 -6.773 208 HD2 ARG 50 HD2 ARG 50 61.883 -1.563 -6.540 209 HD3 ARG 50 HD3 ARG 50 63.016 -2.594 -7.408 210 HE ARG 50 HE ARG 50 63.832 -2.311 -4.703 211 HH11 ARG 50 HH11 ARG 50 61.388 -3.935 -6.632 212 HH12 ARG 50 HH12 ARG 50 61.203 -5.225 -5.491 213 HH21 ARG 50 HH21 ARG 50 63.549 -3.998 -3.273 214 HH22 ARG 50 HH22 ARG 50 62.411 -5.259 -3.613 215 H ILE 51 H ILE 51 63.285 3.571 -5.690 216 HA ILE 51 HA ILE 51 63.893 4.214 -2.867 217 HB ILE 51 HB ILE 51 63.060 6.045 -5.134 218 HG12 ILE 51 HG12 ILE 51 65.748 5.773 -3.759 219 HG13 ILE 51 HG13 ILE 51 65.365 5.040 -5.317 220 HG21 ILE 51 HG21 ILE 51 63.675 7.849 -3.552 221 HG22 ILE 51 HG22 ILE 51 63.982 6.640 -2.304 222 HG23 ILE 51 HG23 ILE 51 62.348 6.869 -2.929 223 HD11 ILE 51 HD11 ILE 51 64.653 7.428 -6.030 224 HD12 ILE 51 HD12 ILE 51 66.378 7.083 -5.909 225 HD13 ILE 51 HD13 ILE 51 65.563 7.965 -4.617 226 H ASN 52 H ASN 52 62.294 4.054 -1.458 227 HA ASN 52 HA ASN 52 59.544 4.699 -2.273 228 HB2 ASN 52 HB2 ASN 52 59.830 2.207 -2.274 229 HB3 ASN 52 HB3 ASN 52 60.275 2.301 -0.572 230 HD21 ASN 52 HD21 ASN 52 57.579 2.642 -2.845 231 HD22 ASN 52 HD22 ASN 52 56.364 2.697 -1.662 232 H GLY 53 H GLY 53 59.567 6.631 -1.153 233 HA2 GLY 53 HA2 GLY 53 59.443 8.042 0.660 234 HA3 GLY 53 HA3 GLY 53 59.103 6.610 1.627 235 H ARG 54 H ARG 54 60.433 6.604 3.322 236 HA ARG 54 HA ARG 54 63.060 7.809 3.232 237 HB2 ARG 54 HB2 ARG 54 61.491 7.825 5.237 238 HB3 ARG 54 HB3 ARG 54 61.923 6.128 5.463 239 HG2 ARG 54 HG2 ARG 54 64.289 6.726 5.665 240 HG3 ARG 54 HG3 ARG 54 63.903 8.422 5.371 241 HD2 ARG 54 HD2 ARG 54 64.112 8.141 7.752 242 HD3 ARG 54 HD3 ARG 54 62.398 8.339 7.394 243 HE ARG 54 HE ARG 54 63.367 5.591 7.508 244 HH11 ARG 54 HH11 ARG 54 61.795 8.202 9.251 245 HH12 ARG 54 HH12 ARG 54 61.102 7.133 10.425 246 HH21 ARG 54 HH21 ARG 54 62.447 4.266 9.046 247 HH22 ARG 54 HH22 ARG 54 61.467 4.932 10.309 248 H GLU 55 H GLU 55 61.878 4.662 2.496 249 HA GLU 55 HA GLU 55 64.417 3.394 3.291 250 HB2 GLU 55 HB2 GLU 55 61.767 2.183 2.469 251 HB3 GLU 55 HB3 GLU 55 63.199 1.272 2.950 252 HG2 GLU 55 HG2 GLU 55 63.168 2.442 5.147 253 HG3 GLU 55 HG3 GLU 55 61.689 3.261 4.667 254 H ILE 56 H ILE 56 65.776 2.507 1.816 255 HA ILE 56 HA ILE 56 64.943 2.492 -1.032 256 HB ILE 56 HB ILE 56 67.749 2.833 0.072 257 HG12 ILE 56 HG12 ILE 56 66.012 4.881 -1.334 258 HG13 ILE 56 HG13 ILE 56 66.184 4.799 0.420 259 HG21 ILE 56 HG21 ILE 56 67.453 1.699 -2.189 260 HG22 ILE 56 HG22 ILE 56 68.406 3.181 -2.212 261 HG23 ILE 56 HG23 ILE 56 66.730 3.205 -2.756 262 HD11 ILE 56 HD11 ILE 56 68.545 5.057 -1.464 263 HD12 ILE 56 HD12 ILE 56 68.546 5.233 0.290 264 HD13 ILE 56 HD13 ILE 56 67.743 6.437 -0.715 265 H ASN 57 H ASN 57 65.004 0.534 -2.003 266 HA ASN 57 HA ASN 57 66.273 -1.704 -0.542 267 HB2 ASN 57 HB2 ASN 57 64.312 -1.746 -2.859 268 HB3 ASN 57 HB3 ASN 57 64.943 -3.163 -2.022 269 HD21 ASN 57 HD21 ASN 57 64.793 -2.337 0.666 270 HD22 ASN 57 HD22 ASN 57 63.169 -2.064 1.078 271 H VAL 58 H VAL 58 68.056 -2.718 -1.417 272 HA VAL 58 HA VAL 58 69.070 -1.556 -3.954 273 HB VAL 58 HB VAL 58 70.693 -2.075 -1.459 274 HG11 VAL 58 HG11 VAL 58 72.191 -2.216 -3.246 275 HG12 VAL 58 HG12 VAL 58 72.264 -0.496 -2.865 276 HG13 VAL 58 HG13 VAL 58 71.289 -1.057 -4.222 277 HG21 VAL 58 HG21 VAL 58 69.058 -0.143 -1.263 278 HG22 VAL 58 HG22 VAL 58 69.896 0.609 -2.619 279 HG23 VAL 58 HG23 VAL 58 70.753 0.307 -1.108 280 H THR 59 H THR 59 70.010 -2.914 -5.336 281 HA THR 59 HA THR 59 70.712 -5.641 -4.403 282 HB THR 59 HB THR 59 69.820 -4.808 -7.177 283 HG1 THR 59 HG1 THR 59 67.976 -4.962 -6.227 284 HG21 THR 59 HG21 THR 59 69.565 -7.390 -7.299 285 HG22 THR 59 HG22 THR 59 70.650 -7.411 -5.908 286 HG23 THR 59 HG23 THR 59 71.185 -6.706 -7.434 287 H LYS 60 H LYS 60 72.821 -6.104 -4.533 288 HA LYS 60 HA LYS 60 74.642 -4.319 -5.910 289 HB2 LYS 60 HB2 LYS 60 75.111 -6.864 -4.346 290 HB3 LYS 60 HB3 LYS 60 76.390 -5.855 -5.019 291 HG2 LYS 60 HG2 LYS 60 75.505 -3.929 -3.690 292 HG3 LYS 60 HG3 LYS 60 74.344 -5.028 -2.940 293 HD2 LYS 60 HD2 LYS 60 76.246 -6.452 -2.172 294 HD3 LYS 60 HD3 LYS 60 77.365 -5.258 -2.822 295 HE2 LYS 60 HE2 LYS 60 77.270 -4.441 -0.689 296 HE3 LYS 60 HE3 LYS 60 75.818 -3.642 -1.283 297 HZ1 LYS 60 HZ1 LYS 60 74.666 -5.813 -0.590 298 HZ2 LYS 60 HZ2 LYS 60 75.103 -4.706 0.622 299 HZ3 LYS 60 HZ3 LYS 60 76.054 -6.087 0.346 300 H LYS 61 H LYS 61 76.229 -5.078 -7.471 301 HA LYS 61 HA LYS 61 75.250 -6.550 -9.622 302 HB2 LYS 61 HB2 LYS 61 78.132 -6.188 -8.774 303 HB3 LYS 61 HB3 LYS 61 77.599 -6.732 -10.365 304 HG2 LYS 61 HG2 LYS 61 76.254 -4.588 -10.532 305 HG3 LYS 61 HG3 LYS 61 77.089 -4.041 -9.076 306 HD2 LYS 61 HD2 LYS 61 78.478 -4.924 -11.623 307 HD3 LYS 61 HD3 LYS 61 78.184 -3.243 -11.176 308 HE2 LYS 61 HE2 LYS 61 79.487 -3.589 -9.092 309 HE3 LYS 61 HE3 LYS 61 79.826 -5.244 -9.596 310 HZ1 LYS 61 HZ1 LYS 61 80.678 -4.105 -11.733 311 HZ2 LYS 61 HZ2 LYS 61 81.663 -4.110 -10.348 312 HZ3 LYS 61 HZ3 LYS 61 80.782 -2.717 -10.763 313 H ASP 62 H ASP 62 76.787 -7.706 -6.680 314 HA ASP 62 HA ASP 62 77.315 -10.343 -7.748 315 HB2 ASP 62 HB2 ASP 62 78.727 -9.198 -6.014 316 HB3 ASP 62 HB3 ASP 62 77.414 -9.453 -4.868 317 H SER 63 H SER 63 74.416 -9.154 -7.286 318 HA SER 63 HA SER 63 72.383 -10.144 -7.074 319 HB2 SER 63 HB2 SER 63 72.142 -12.421 -7.282 320 HB3 SER 63 HB3 SER 63 73.762 -12.191 -7.924 321 HG SER 63 HG SER 63 72.954 -13.487 -5.715 322 H ASN 64 H ASN 64 74.527 -9.812 -4.503 323 HA ASN 64 HA ASN 64 72.889 -10.879 -2.411 324 HB2 ASN 64 HB2 ASN 64 75.042 -8.751 -2.330 325 HB3 ASN 64 HB3 ASN 64 74.340 -9.548 -0.923 326 HD21 ASN 64 HD21 ASN 64 77.180 -9.631 -2.099 327 HD22 ASN 64 HD22 ASN 64 77.506 -11.289 -2.264 328 H ARG 65 H ARG 65 71.222 -9.922 -1.311 329 HA ARG 65 HA ARG 65 70.411 -7.222 -2.230 330 HB2 ARG 65 HB2 ARG 65 68.741 -9.529 -1.215 331 HB3 ARG 65 HB3 ARG 65 68.114 -7.927 -1.611 332 HG2 ARG 65 HG2 ARG 65 69.016 -8.186 -3.923 333 HG3 ARG 65 HG3 ARG 65 69.511 -9.830 -3.514 334 HD2 ARG 65 HD2 ARG 65 67.116 -10.319 -2.912 335 HD3 ARG 65 HD3 ARG 65 66.689 -8.733 -3.547 336 HE ARG 65 HE ARG 65 66.994 -9.552 -5.700 337 HH11 ARG 65 HH11 ARG 65 68.299 -11.879 -3.420 338 HH12 ARG 65 HH12 ARG 65 68.528 -13.092 -4.636 339 HH21 ARG 65 HH21 ARG 65 67.309 -11.151 -7.220 340 HH22 ARG 65 HH22 ARG 65 67.973 -12.683 -6.761 341 H TYR 66 H TYR 66 69.802 -5.680 -0.785 342 HA TYR 66 HA TYR 66 69.547 -6.322 2.034 343 HB2 TYR 66 HB2 TYR 66 71.292 -4.915 2.814 344 HB3 TYR 66 HB3 TYR 66 71.984 -6.031 1.661 345 HD1 TYR 66 HD1 TYR 66 71.048 -2.522 2.307 346 HD2 TYR 66 HD2 TYR 66 72.908 -5.248 -0.441 347 HE1 TYR 66 HE1 TYR 66 72.056 -0.610 1.096 348 HE2 TYR 66 HE2 TYR 66 73.912 -3.335 -1.658 349 HH TYR 66 HH TYR 66 74.507 -0.867 -0.969 350 H THR 67 H THR 67 68.991 -4.370 3.327 351 HA THR 67 HA THR 67 67.555 -2.346 1.711 352 HB THR 67 HB THR 67 66.635 -3.530 4.343 353 HG1 THR 67 HG1 THR 67 65.871 -4.988 3.093 354 HG21 THR 67 HG21 THR 67 64.500 -2.342 3.643 355 HG22 THR 67 HG22 THR 67 65.454 -1.535 2.399 356 HG23 THR 67 HG23 THR 67 65.834 -1.284 4.103 357 H THR 68 H THR 68 67.866 -0.260 2.304 358 HA THR 68 HA THR 68 69.394 0.249 4.798 359 HB THR 68 HB THR 68 70.884 0.406 2.856 360 HG1 THR 68 HG1 THR 68 70.253 2.942 3.792 361 HG21 THR 68 HG21 THR 68 70.505 2.006 1.087 362 HG22 THR 68 HG22 THR 68 69.058 2.619 1.888 363 HG23 THR 68 HG23 THR 68 69.070 0.988 1.215 364 H TYR 69 H TYR 69 68.862 2.045 5.963 365 HA TYR 69 HA TYR 69 66.420 3.474 5.116 366 HB2 TYR 69 HB2 TYR 69 67.731 3.313 7.834 367 HB3 TYR 69 HB3 TYR 69 66.214 4.113 7.469 368 HD1 TYR 69 HD2 TYR 69 64.181 2.818 7.041 369 HD2 TYR 69 HD1 TYR 69 67.912 0.887 7.936 370 HE1 TYR 69 HE2 TYR 69 62.979 0.690 7.467 371 HE2 TYR 69 HE1 TYR 69 66.710 -1.239 8.363 372 HH TYR 69 HH TYR 69 63.569 -1.476 8.897 373 H ILE 70 H ILE 70 66.405 5.705 4.899 374 HA ILE 70 HA ILE 70 69.035 6.999 4.897 375 HB ILE 70 HB ILE 70 66.433 8.196 3.951 376 HG12 ILE 70 HG12 ILE 70 68.487 6.770 2.234 377 HG13 ILE 70 HG13 ILE 70 66.986 6.010 2.763 378 HG21 ILE 70 HG21 ILE 70 68.624 9.527 4.424 379 HG22 ILE 70 HG22 ILE 70 67.791 9.788 2.890 380 HG23 ILE 70 HG23 ILE 70 69.218 8.753 2.954 381 HD11 ILE 70 HD11 ILE 70 67.393 8.241 0.813 382 HD12 ILE 70 HD12 ILE 70 65.915 8.245 1.775 383 HD13 ILE 70 HD13 ILE 70 66.285 6.872 0.735 384 HA PRO 71 HA PRO 71 67.684 8.572 9.049 385 HB2 PRO 71 HB2 PRO 71 70.106 10.256 8.550 386 HB3 PRO 71 HB3 PRO 71 69.609 9.404 10.024 387 HG2 PRO 71 HG2 PRO 71 71.531 8.464 8.428 388 HG3 PRO 71 HG3 PRO 71 70.425 7.396 9.309 389 HD2 PRO 71 HD2 PRO 71 70.543 7.967 6.409 390 HD3 PRO 71 HD3 PRO 71 69.859 6.569 7.260 391 H VAL 72 H VAL 72 68.865 10.662 6.399 392 HA VAL 72 HA VAL 72 66.531 12.400 6.819 393 HB VAL 72 HB VAL 72 69.353 13.435 6.411 394 HG11 VAL 72 HG11 VAL 72 66.737 14.884 6.927 395 HG12 VAL 72 HG12 VAL 72 67.560 14.805 5.369 396 HG13 VAL 72 HG13 VAL 72 68.318 15.638 6.725 397 HG21 VAL 72 HG21 VAL 72 69.067 14.354 8.709 398 HG22 VAL 72 HG22 VAL 72 69.047 12.591 8.693 399 HG23 VAL 72 HG23 VAL 72 67.536 13.488 8.843 400 H GLN 73 H GLN 73 65.651 13.197 4.932 401 HA GLN 73 HA GLN 73 66.072 11.754 2.570 402 HB2 GLN 73 HB2 GLN 73 64.006 13.041 3.143 403 HB3 GLN 73 HB3 GLN 73 64.885 14.529 2.794 404 HG2 GLN 73 HG2 GLN 73 63.728 14.007 0.784 405 HG3 GLN 73 HG3 GLN 73 65.395 13.514 0.498 406 HE21 GLN 73 HE21 GLN 73 65.593 11.447 -0.360 407 HE22 GLN 73 HE22 GLN 73 64.463 10.196 -0.158 408 H ASP 74 H ASP 74 67.493 11.919 0.956 409 HA ASP 74 HA ASP 74 69.261 14.298 0.870 410 HB2 ASP 74 HB2 ASP 74 70.107 11.882 1.571 411 HB3 ASP 74 HB3 ASP 74 70.155 11.643 -0.172 412 HA PRO 75 HA PRO 75 67.012 14.200 -3.198 413 HB2 PRO 75 HB2 PRO 75 68.079 16.987 -3.204 414 HB3 PRO 75 HB3 PRO 75 66.455 16.398 -3.617 415 HG2 PRO 75 HG2 PRO 75 66.856 17.652 -1.342 416 HG3 PRO 75 HG3 PRO 75 65.812 16.217 -1.398 417 HD2 PRO 75 HD2 PRO 75 68.655 16.427 -0.431 418 HD3 PRO 75 HD3 PRO 75 67.291 15.530 0.279 419 H LYS 76 H LYS 76 70.240 15.249 -2.301 420 HA LYS 76 HA LYS 76 71.347 15.487 -4.904 421 HB2 LYS 76 HB2 LYS 76 72.402 16.393 -2.834 422 HB3 LYS 76 HB3 LYS 76 72.763 14.743 -2.333 423 HG2 LYS 76 HG2 LYS 76 74.750 15.527 -3.377 424 HG3 LYS 76 HG3 LYS 76 73.985 14.491 -4.578 425 HD2 LYS 76 HD2 LYS 76 73.030 16.446 -5.702 426 HD3 LYS 76 HD3 LYS 76 73.708 17.508 -4.467 427 HE2 LYS 76 HE2 LYS 76 75.262 17.625 -6.249 428 HE3 LYS 76 HE3 LYS 76 75.991 16.493 -5.110 429 HZ1 LYS 76 HZ1 LYS 76 74.812 15.995 -7.731 430 HZ2 LYS 76 HZ2 LYS 76 74.571 14.806 -6.542 431 HZ3 LYS 76 HZ3 LYS 76 76.147 15.261 -6.985 432 H LEU 77 H LEU 77 70.676 12.706 -2.892 433 HA LEU 77 HA LEU 77 72.566 10.897 -3.882 434 HB2 LEU 77 HB2 LEU 77 71.070 10.494 -1.929 435 HB3 LEU 77 HB3 LEU 77 69.724 10.276 -3.046 436 HG LEU 77 HG LEU 77 71.094 8.461 -4.175 437 HD11 LEU 77 HD11 LEU 77 72.827 9.064 -1.779 438 HD12 LEU 77 HD12 LEU 77 73.308 8.906 -3.468 439 HD13 LEU 77 HD13 LEU 77 72.845 7.476 -2.545 440 HD21 LEU 77 HD21 LEU 77 69.301 7.800 -2.720 441 HD22 LEU 77 HD22 LEU 77 70.240 8.203 -1.281 442 HD23 LEU 77 HD23 LEU 77 70.696 6.817 -2.272 443 H LEU 78 H LEU 78 69.453 11.914 -5.214 444 HA LEU 78 HA LEU 78 69.142 9.879 -7.138 445 HB2 LEU 78 HB2 LEU 78 68.285 12.780 -7.315 446 HB3 LEU 78 HB3 LEU 78 67.656 11.455 -8.293 447 HG LEU 78 HG LEU 78 67.485 11.592 -5.268 448 HD11 LEU 78 HD11 LEU 78 65.397 12.101 -7.410 449 HD12 LEU 78 HD12 LEU 78 66.071 13.303 -6.309 450 HD13 LEU 78 HD13 LEU 78 65.066 11.998 -5.680 451 HD21 LEU 78 HD21 LEU 78 66.517 9.647 -7.367 452 HD22 LEU 78 HD22 LEU 78 65.724 9.763 -5.795 453 HD23 LEU 78 HD23 LEU 78 67.425 9.307 -5.893 454 H ASP 79 H ASP 79 70.681 13.076 -7.360 455 HA ASP 79 HA ASP 79 71.383 12.915 -10.086 456 HB2 ASP 79 HB2 ASP 79 72.697 14.440 -7.825 457 HB3 ASP 79 HB3 ASP 79 73.046 14.687 -9.534 458 H ASN 80 H ASN 80 73.114 11.921 -7.159 459 HA ASN 80 HA ASN 80 75.584 11.319 -8.344 460 HB2 ASN 80 HB2 ASN 80 75.041 11.415 -5.872 461 HB3 ASN 80 HB3 ASN 80 74.322 9.817 -6.045 462 HD21 ASN 80 HD21 ASN 80 77.417 11.536 -6.728 463 HD22 ASN 80 HD22 ASN 80 78.398 10.184 -6.429 464 H LEU 81 H LEU 81 72.781 9.183 -7.740 465 HA LEU 81 HA LEU 81 73.909 6.832 -8.776 466 HB2 LEU 81 HB2 LEU 81 71.003 7.683 -8.779 467 HB3 LEU 81 HB3 LEU 81 71.592 6.038 -9.008 468 HG LEU 81 HG LEU 81 72.116 7.714 -6.536 469 HD11 LEU 81 HD11 LEU 81 69.784 7.206 -6.532 470 HD12 LEU 81 HD12 LEU 81 70.534 5.980 -5.508 471 HD13 LEU 81 HD13 LEU 81 70.064 5.582 -7.161 472 HD21 LEU 81 HD21 LEU 81 73.845 6.122 -6.663 473 HD22 LEU 81 HD22 LEU 81 72.800 4.909 -7.402 474 HD23 LEU 81 HD23 LEU 81 72.629 5.295 -5.689 475 H LEU 82 H LEU 82 72.270 9.511 -10.411 476 HA LEU 82 HA LEU 82 72.041 8.172 -12.921 477 HB2 LEU 82 HB2 LEU 82 72.152 11.140 -12.311 478 HB3 LEU 82 HB3 LEU 82 71.683 10.440 -13.859 479 HG LEU 82 HG LEU 82 70.280 9.863 -11.235 480 HD11 LEU 82 HD11 LEU 82 68.507 11.332 -12.064 481 HD12 LEU 82 HD12 LEU 82 69.427 11.648 -13.535 482 HD13 LEU 82 HD13 LEU 82 70.023 12.229 -11.982 483 HD21 LEU 82 HD21 LEU 82 68.499 9.076 -12.923 484 HD22 LEU 82 HD22 LEU 82 69.916 8.046 -12.727 485 HD23 LEU 82 HD23 LEU 82 69.791 9.116 -14.124 486 H THR 83 H THR 83 74.535 10.334 -11.577 487 HA THR 83 HA THR 83 76.128 10.500 -13.877 488 HB THR 83 HB THR 83 77.094 10.467 -11.010 489 HG1 THR 83 HG1 THR 83 76.288 12.389 -10.904 490 HG21 THR 83 HG21 THR 83 78.715 12.176 -12.138 491 HG22 THR 83 HG22 THR 83 78.222 11.395 -13.640 492 HG23 THR 83 HG23 THR 83 79.003 10.452 -12.371 493 H LYS 84 H LYS 84 75.921 7.969 -11.430 494 HA LYS 84 HA LYS 84 78.188 6.539 -12.539 495 HB2 LYS 84 HB2 LYS 84 76.257 5.838 -10.331 496 HB3 LYS 84 HB3 LYS 84 77.576 4.786 -10.851 497 HG2 LYS 84 HG2 LYS 84 79.178 6.656 -10.431 498 HG3 LYS 84 HG3 LYS 84 77.843 7.612 -9.788 499 HD2 LYS 84 HD2 LYS 84 77.430 5.842 -8.087 500 HD3 LYS 84 HD3 LYS 84 78.834 4.963 -8.696 501 HE2 LYS 84 HE2 LYS 84 79.455 6.316 -6.736 502 HE3 LYS 84 HE3 LYS 84 80.272 6.908 -8.181 503 HZ1 LYS 84 HZ1 LYS 84 77.675 8.076 -7.631 504 HZ2 LYS 84 HZ2 LYS 84 79.108 8.812 -8.170 505 HZ3 LYS 84 HZ3 LYS 84 78.897 8.463 -6.520 506 H ASN 85 H ASN 85 75.132 6.853 -13.706 507 HA ASN 85 HA ASN 85 73.812 5.638 -15.108 508 HB2 ASN 85 HB2 ASN 85 76.320 3.981 -15.486 509 HB3 ASN 85 HB3 ASN 85 74.908 3.981 -16.537 510 HD21 ASN 85 HD21 ASN 85 77.650 4.786 -17.305 511 HD22 ASN 85 HD22 ASN 85 77.549 6.409 -17.788 512 H VAL 86 H VAL 86 73.616 5.046 -12.382 513 HA VAL 86 HA VAL 86 73.285 2.136 -12.243 514 HB VAL 86 HB VAL 86 72.798 4.253 -10.130 515 HG11 VAL 86 HG11 VAL 86 73.150 1.255 -9.847 516 HG12 VAL 86 HG12 VAL 86 71.580 2.057 -9.874 517 HG13 VAL 86 HG13 VAL 86 72.724 2.400 -8.577 518 HG21 VAL 86 HG21 VAL 86 74.958 3.600 -9.222 519 HG22 VAL 86 HG22 VAL 86 75.181 4.071 -10.907 520 HG23 VAL 86 HG23 VAL 86 75.148 2.364 -10.465 521 H LYS 87 H LYS 87 71.262 1.144 -12.043 522 HA LYS 87 HA LYS 87 69.109 2.492 -13.368 523 HB2 LYS 87 HB2 LYS 87 69.520 0.020 -13.493 524 HB3 LYS 87 HB3 LYS 87 69.012 -0.102 -11.808 525 HG2 LYS 87 HG2 LYS 87 66.826 0.916 -12.418 526 HG3 LYS 87 HG3 LYS 87 67.332 0.937 -14.108 527 HD2 LYS 87 HD2 LYS 87 67.666 -1.547 -13.978 528 HD3 LYS 87 HD3 LYS 87 66.975 -1.509 -12.354 529 HE2 LYS 87 HE2 LYS 87 65.473 -0.275 -14.648 530 HE3 LYS 87 HE3 LYS 87 65.406 -2.018 -14.388 531 HZ1 LYS 87 HZ1 LYS 87 64.896 -0.105 -12.196 532 HZ2 LYS 87 HZ2 LYS 87 64.467 -1.746 -12.291 533 HZ3 LYS 87 HZ3 LYS 87 63.658 -0.597 -13.246 534 H VAL 88 H VAL 88 67.354 3.515 -12.525 535 HA VAL 88 HA VAL 88 67.092 3.574 -9.576 536 HB VAL 88 HB VAL 88 66.883 5.982 -11.404 537 HG11 VAL 88 HG11 VAL 88 66.789 7.217 -9.243 538 HG12 VAL 88 HG12 VAL 88 66.755 5.675 -8.388 539 HG13 VAL 88 HG13 VAL 88 65.419 6.127 -9.447 540 HG21 VAL 88 HG21 VAL 88 69.197 5.553 -11.268 541 HG22 VAL 88 HG22 VAL 88 69.079 4.941 -9.618 542 HG23 VAL 88 HG23 VAL 88 68.921 6.669 -9.931 543 H VAL 89 H VAL 89 65.104 3.293 -8.847 544 HA VAL 89 HA VAL 89 62.833 3.574 -10.743 545 HB VAL 89 HB VAL 89 63.012 1.629 -8.431 546 HG11 VAL 89 HG11 VAL 89 61.072 1.820 -10.752 547 HG12 VAL 89 HG12 VAL 89 60.742 2.396 -9.118 548 HG13 VAL 89 HG13 VAL 89 60.995 0.676 -9.412 549 HG21 VAL 89 HG21 VAL 89 63.690 1.342 -11.347 550 HG22 VAL 89 HG22 VAL 89 63.020 -0.034 -10.469 551 HG23 VAL 89 HG23 VAL 89 64.534 0.698 -9.938 552 H GLY 90 H GLY 90 61.204 4.890 -10.084 553 HA2 GLY 90 HA2 GLY 90 61.305 5.905 -7.302 554 HA3 GLY 90 HA3 GLY 90 60.627 6.775 -8.673 555 H GLU 91 H GLU 91 59.699 5.376 -5.940 556 HA GLU 91 HA GLU 91 57.000 4.959 -6.941 557 HB2 GLU 91 HB2 GLU 91 58.665 2.758 -5.741 558 HB3 GLU 91 HB3 GLU 91 56.909 2.758 -5.578 559 HG2 GLU 91 HG2 GLU 91 56.862 3.123 -8.134 560 HG3 GLU 91 HG3 GLU 91 58.553 2.626 -8.102 561 HA PRO 92 HA PRO 92 57.209 7.209 -2.897 562 HB2 PRO 92 HB2 PRO 92 54.437 7.897 -3.759 563 HB3 PRO 92 HB3 PRO 92 55.705 8.946 -3.098 564 HG2 PRO 92 HG2 PRO 92 55.079 8.988 -5.680 565 HG3 PRO 92 HG3 PRO 92 56.749 9.196 -5.123 566 HD2 PRO 92 HD2 PRO 92 55.480 6.816 -6.405 567 HD3 PRO 92 HD3 PRO 92 57.153 7.404 -6.519 568 HA PRO 93 HA PRO 93 55.291 3.938 -0.585 569 HB2 PRO 93 HB2 PRO 93 54.314 6.037 1.309 570 HB3 PRO 93 HB3 PRO 93 55.224 4.550 1.644 571 HG2 PRO 93 HG2 PRO 93 56.444 6.878 1.709 572 HG3 PRO 93 HG3 PRO 93 57.238 5.473 0.969 573 HD2 PRO 93 HD2 PRO 93 55.913 7.805 -0.380 574 HD3 PRO 93 HD3 PRO 93 57.393 6.928 -0.833 575 H GLU 94 H GLU 94 53.344 2.905 -0.552 576 HA GLU 94 HA GLU 94 50.879 4.503 -0.888 577 HB2 GLU 94 HB2 GLU 94 51.611 3.470 -3.055 578 HB3 GLU 94 HB3 GLU 94 51.447 1.885 -2.297 579 HG2 GLU 94 HG2 GLU 94 49.070 2.415 -1.779 580 HG3 GLU 94 HG3 GLU 94 49.247 3.941 -2.631 581 H GLU 95 H GLU 95 49.074 3.718 0.188 582 HA GLU 95 HA GLU 95 49.496 1.338 1.903 583 HB2 GLU 95 HB2 GLU 95 49.634 3.693 3.009 584 HB3 GLU 95 HB3 GLU 95 47.879 3.696 2.821 585 HG2 GLU 95 HG2 GLU 95 49.278 1.329 4.047 586 HG3 GLU 95 HG3 GLU 95 48.885 2.741 5.026 587 HA PRO 96 HA PRO 96 45.564 0.871 -0.568 588 HB2 PRO 96 HB2 PRO 96 45.848 -1.857 -0.911 589 HB3 PRO 96 HB3 PRO 96 46.429 -0.639 -2.061 590 HG2 PRO 96 HG2 PRO 96 47.932 -2.152 0.007 591 HG3 PRO 96 HG3 PRO 96 48.418 -1.683 -1.633 592 HD2 PRO 96 HD2 PRO 96 49.298 -0.349 0.559 593 HD3 PRO 96 HD3 PRO 96 49.022 0.464 -0.997 594 H LEU 97 H LEU 97 43.677 0.502 0.479 595 HA LEU 97 HA LEU 97 43.668 -0.416 3.184 596 HB2 LEU 97 HB2 LEU 97 41.346 0.025 1.291 597 HB3 LEU 97 HB3 LEU 97 41.234 -0.146 3.042 598 HG LEU 97 HG LEU 97 42.796 2.030 1.619 599 HD11 LEU 97 HD11 LEU 97 40.911 3.436 2.738 600 HD12 LEU 97 HD12 LEU 97 40.025 1.912 2.798 601 HD13 LEU 97 HD13 LEU 97 40.534 2.575 1.246 602 HD21 LEU 97 HD21 LEU 97 42.591 2.999 4.036 603 HD22 LEU 97 HD22 LEU 97 43.801 1.753 3.731 604 HD23 LEU 97 HD23 LEU 97 42.274 1.328 4.505 605 H GLU 98 H GLU 98 42.710 -1.849 0.090 606 HA GLU 98 HA GLU 98 42.264 -4.432 1.472 607 HB2 GLU 98 HB2 GLU 98 41.192 -3.438 -1.179 608 HB3 GLU 98 HB3 GLU 98 40.901 -5.040 -0.498 609 HG2 GLU 98 HG2 GLU 98 39.882 -3.971 1.505 610 HG3 GLU 98 HG3 GLU 98 40.102 -2.397 0.752 611 H HIS 99 H HIS 99 43.464 -6.161 0.915 612 HA HIS 99 HA HIS 99 45.635 -5.750 -1.005 613 HB2 HIS 99 HB2 HIS 99 46.168 -6.657 1.212 614 HB3 HIS 99 HB3 HIS 99 45.091 -8.009 0.924 615 HD1 HIS 99 HD1 HIS 99 48.155 -6.462 -0.754 616 HD2 HIS 99 HD2 HIS 99 46.448 -10.198 -0.043 617 HE1 HIS 99 HE1 HIS 99 49.772 -8.175 -1.680 618 H HIS 100 H HIS 100 43.301 -8.346 -0.263 619 HA HIS 100 HA HIS 100 43.745 -9.873 -2.554 620 HB2 HIS 100 HB2 HIS 100 41.246 -9.575 -0.896 621 HB3 HIS 100 HB3 HIS 100 41.486 -10.818 -2.109 622 HD1 HIS 100 HD1 HIS 100 42.452 -9.819 1.356 623 HD2 HIS 100 HD2 HIS 100 43.339 -12.873 -1.340 624 HE1 HIS 100 HE1 HIS 100 43.655 -11.612 2.677 625 H HIS 101 H HIS 101 41.822 -6.961 -2.182 626 HA HIS 101 HA HIS 101 40.037 -7.263 -4.312 627 HB2 HIS 101 HB2 HIS 101 39.954 -5.445 -2.634 628 HB3 HIS 101 HB3 HIS 101 41.369 -4.721 -3.372 629 HD1 HIS 101 HD1 HIS 101 37.870 -5.798 -4.470 630 HD2 HIS 101 HD2 HIS 101 40.682 -2.816 -5.235 631 HE1 HIS 101 HE1 HIS 101 36.792 -4.203 -6.112 632 H HIS 102 H HIS 102 43.336 -5.926 -4.290 633 HA HIS 102 HA HIS 102 43.465 -5.220 -7.007 634 HB2 HIS 102 HB2 HIS 102 45.627 -6.107 -5.102 635 HB3 HIS 102 HB3 HIS 102 45.940 -5.470 -6.706 636 HD1 HIS 102 HD1 HIS 102 44.890 -4.466 -3.260 637 HD2 HIS 102 HD2 HIS 102 45.511 -2.651 -6.961 638 HE1 HIS 102 HE1 HIS 102 44.901 -1.970 -2.840 639 H HIS 103 H HIS 103 44.063 -8.298 -5.373 640 HA HIS 103 HA HIS 103 45.283 -9.690 -7.469 641 HB2 HIS 103 HB2 HIS 103 45.098 -10.491 -5.134 642 HB3 HIS 103 HB3 HIS 103 43.390 -10.784 -5.389 643 HD1 HIS 103 HD1 HIS 103 46.682 -11.836 -7.020 644 HD2 HIS 103 HD2 HIS 103 42.915 -13.388 -6.136 645 HE1 HIS 103 HE1 HIS 103 46.718 -14.260 -7.749 646 H HIS 104 H HIS 104 41.877 -8.969 -6.913 647 HA HIS 104 HA HIS 104 40.938 -10.813 -8.924 648 HB2 HIS 104 HB2 HIS 104 39.583 -10.098 -6.954 649 HB3 HIS 104 HB3 HIS 104 39.501 -8.488 -7.641 650 HD1 HIS 104 HD1 HIS 104 38.641 -12.052 -8.712 651 HD2 HIS 104 HD2 HIS 104 37.249 -8.150 -9.189 652 HE1 HIS 104 HE1 HIS 104 36.505 -12.214 -10.060 Start of MODEL 6 1 H1 MET 23 HT1 MET 23 58.365 -21.597 2.026 2 H2 MET 23 HT2 MET 23 58.830 -20.269 2.978 3 H3 MET 23 HT3 MET 23 59.967 -21.043 1.981 4 HA MET 23 HA MET 23 58.779 -20.332 0.011 5 HB2 MET 23 HB2 MET 23 56.983 -18.963 2.038 6 HB3 MET 23 HB3 MET 23 56.905 -18.726 0.291 7 HG2 MET 23 HG2 MET 23 56.529 -21.203 0.043 8 HG3 MET 23 HG3 MET 23 56.413 -21.307 1.799 9 HE1 MET 23 HE1 MET 23 54.786 -18.423 -0.769 10 HE2 MET 23 HE2 MET 23 53.616 -19.631 -1.295 11 HE3 MET 23 HE3 MET 23 55.341 -19.983 -1.390 12 H ALA 24 H ALA 24 59.657 -18.542 -0.972 13 HA ALA 24 HA ALA 24 61.675 -17.108 0.386 14 HB1 ALA 24 HB1 ALA 24 62.130 -16.114 -1.657 15 HB2 ALA 24 HB2 ALA 24 60.428 -16.031 -2.115 16 HB3 ALA 24 HB3 ALA 24 61.285 -17.571 -2.179 17 H SER 25 H SER 25 61.761 -15.030 1.190 18 HA SER 25 HA SER 25 59.166 -13.611 1.449 19 HB2 SER 25 HB2 SER 25 59.891 -12.869 3.654 20 HB3 SER 25 HB3 SER 25 59.928 -14.628 3.575 21 HG SER 25 HG SER 25 61.836 -13.537 4.413 22 H GLU 26 H GLU 26 59.122 -11.490 0.976 23 HA GLU 26 HA GLU 26 61.288 -10.272 -0.414 24 HB2 GLU 26 HB2 GLU 26 58.756 -9.078 0.739 25 HB3 GLU 26 HB3 GLU 26 59.862 -8.238 -0.350 26 HG2 GLU 26 HG2 GLU 26 58.418 -10.828 -0.983 27 HG3 GLU 26 HG3 GLU 26 57.950 -9.237 -1.571 28 H SER 27 H SER 27 60.124 -10.089 2.913 29 HA SER 27 HA SER 27 61.477 -7.810 3.781 30 HB2 SER 27 HB2 SER 27 60.929 -10.326 5.366 31 HB3 SER 27 HB3 SER 27 61.258 -8.729 6.026 32 HG SER 27 HG SER 27 59.270 -8.248 5.596 33 H ASN 28 H ASN 28 62.745 -11.011 3.114 34 HA ASN 28 HA ASN 28 65.047 -11.006 4.689 35 HB2 ASN 28 HB2 ASN 28 64.153 -12.898 3.257 36 HB3 ASN 28 HB3 ASN 28 64.903 -12.096 1.877 37 HD21 ASN 28 HD21 ASN 28 66.404 -13.946 1.649 38 HD22 ASN 28 HD22 ASN 28 67.713 -14.121 2.716 39 H GLY 29 H GLY 29 67.115 -10.247 4.426 40 HA2 GLY 29 HA2 GLY 29 68.557 -9.271 2.429 41 HA3 GLY 29 HA3 GLY 29 67.405 -7.954 2.634 42 H ARG 30 H ARG 30 70.420 -8.411 3.210 43 HA ARG 30 HA ARG 30 70.834 -8.286 6.010 44 HB2 ARG 30 HB2 ARG 30 72.509 -7.159 3.752 45 HB3 ARG 30 HB3 ARG 30 73.046 -7.328 5.424 46 HG2 ARG 30 HG2 ARG 30 72.632 -9.772 5.291 47 HG3 ARG 30 HG3 ARG 30 72.170 -9.585 3.598 48 HD2 ARG 30 HD2 ARG 30 74.481 -10.261 3.634 49 HD3 ARG 30 HD3 ARG 30 74.435 -8.561 3.177 50 HE ARG 30 HE ARG 30 74.697 -8.784 5.990 51 HH11 ARG 30 HH11 ARG 30 76.592 -9.256 3.072 52 HH12 ARG 30 HH12 ARG 30 78.093 -8.948 3.878 53 HH21 ARG 30 HH21 ARG 30 76.661 -8.398 6.973 54 HH22 ARG 30 HH22 ARG 30 78.130 -8.469 6.059 55 H LYS 31 H LYS 31 71.051 -6.527 7.426 56 HA LYS 31 HA LYS 31 69.686 -4.087 6.622 57 HB2 LYS 31 HB2 LYS 31 69.402 -5.086 8.904 58 HB3 LYS 31 HB3 LYS 31 71.086 -4.678 9.236 59 HG2 LYS 31 HG2 LYS 31 70.580 -2.295 8.746 60 HG3 LYS 31 HG3 LYS 31 68.883 -2.723 8.515 61 HD2 LYS 31 HD2 LYS 31 68.860 -3.646 10.848 62 HD3 LYS 31 HD3 LYS 31 70.497 -3.026 11.063 63 HE2 LYS 31 HE2 LYS 31 68.277 -1.211 10.138 64 HE3 LYS 31 HE3 LYS 31 68.516 -1.542 11.854 65 HZ1 LYS 31 HZ1 LYS 31 71.019 -1.004 10.877 66 HZ2 LYS 31 HZ2 LYS 31 70.053 0.037 11.809 67 HZ3 LYS 31 HZ3 LYS 31 70.022 0.136 10.113 68 H VAL 32 H VAL 32 70.604 -2.155 6.187 69 HA VAL 32 HA VAL 32 73.525 -1.876 6.531 70 HB VAL 32 HB VAL 32 72.015 -1.228 3.988 71 HG11 VAL 32 HG11 VAL 32 74.253 -0.741 3.079 72 HG12 VAL 32 HG12 VAL 32 74.974 -1.078 4.653 73 HG13 VAL 32 HG13 VAL 32 73.905 0.310 4.452 74 HG21 VAL 32 HG21 VAL 32 72.276 -3.602 4.116 75 HG22 VAL 32 HG22 VAL 32 73.908 -3.458 4.770 76 HG23 VAL 32 HG23 VAL 32 73.592 -3.033 3.088 77 H ASP 33 H ASP 33 74.157 0.004 7.301 78 HA ASP 33 HA ASP 33 72.290 2.123 7.873 79 HB2 ASP 33 HB2 ASP 33 74.190 1.511 9.377 80 HB3 ASP 33 HB3 ASP 33 75.304 2.118 8.152 81 H TYR 34 H TYR 34 72.345 4.253 7.036 82 HA TYR 34 HA TYR 34 72.590 4.477 4.271 83 HB2 TYR 34 HB2 TYR 34 71.248 6.015 5.567 84 HB3 TYR 34 HB3 TYR 34 72.666 6.614 6.401 85 HD1 TYR 34 HD1 TYR 34 72.269 5.942 2.747 86 HD2 TYR 34 HD2 TYR 34 72.662 8.907 5.828 87 HE1 TYR 34 HE1 TYR 34 72.547 7.700 1.023 88 HE2 TYR 34 HE2 TYR 34 72.927 10.667 4.100 89 HH TYR 34 HH TYR 34 72.806 11.077 1.859 90 H SER 35 H SER 35 74.978 5.202 6.792 91 HA SER 35 HA SER 35 76.856 6.551 5.201 92 HB2 SER 35 HB2 SER 35 77.422 4.690 7.521 93 HB3 SER 35 HB3 SER 35 78.489 5.945 6.900 94 HG SER 35 HG SER 35 76.965 6.389 8.735 95 H THR 36 H THR 36 76.387 3.090 5.813 96 HA THR 36 HA THR 36 78.732 2.229 4.438 97 HB THR 36 HB THR 36 76.175 0.681 4.923 98 HG1 THR 36 HG1 THR 36 77.019 0.261 6.844 99 HG21 THR 36 HG21 THR 36 79.028 -0.272 4.563 100 HG22 THR 36 HG22 THR 36 77.815 -0.280 3.284 101 HG23 THR 36 HG23 THR 36 77.588 -1.279 4.720 102 H PHE 37 H PHE 37 75.352 2.662 3.451 103 HA PHE 37 HA PHE 37 75.541 1.598 0.877 104 HB2 PHE 37 HB2 PHE 37 73.413 2.204 1.873 105 HB3 PHE 37 HB3 PHE 37 73.867 3.895 1.894 106 HD1 PHE 37 HD2 PHE 37 72.750 1.077 -0.203 107 HD2 PHE 37 HD1 PHE 37 73.844 5.230 -0.142 108 HE1 PHE 37 HE2 PHE 37 71.778 1.370 -2.466 109 HE2 PHE 37 HE1 PHE 37 72.874 5.521 -2.405 110 HZ PHE 37 HZ PHE 37 71.839 3.590 -3.566 111 H LEU 38 H LEU 38 76.247 4.903 2.013 112 HA LEU 38 HA LEU 38 76.674 6.050 -0.512 113 HB2 LEU 38 HB2 LEU 38 77.914 6.753 2.158 114 HB3 LEU 38 HB3 LEU 38 77.959 7.778 0.721 115 HG LEU 38 HG LEU 38 75.386 6.758 1.949 116 HD11 LEU 38 HD11 LEU 38 76.914 8.382 3.350 117 HD12 LEU 38 HD12 LEU 38 75.187 8.706 3.203 118 HD13 LEU 38 HD13 LEU 38 76.338 9.594 2.205 119 HD21 LEU 38 HD21 LEU 38 76.131 8.690 -0.238 120 HD22 LEU 38 HD22 LEU 38 74.595 8.857 0.612 121 HD23 LEU 38 HD23 LEU 38 74.955 7.377 -0.277 122 H GLN 39 H GLN 39 78.915 4.389 1.683 123 HA GLN 39 HA GLN 39 81.264 4.844 0.185 124 HB2 GLN 39 HB2 GLN 39 81.208 3.938 2.513 125 HB3 GLN 39 HB3 GLN 39 80.627 2.405 1.861 126 HG2 GLN 39 HG2 GLN 39 82.647 2.200 0.483 127 HG3 GLN 39 HG3 GLN 39 83.227 3.752 1.078 128 HE21 GLN 39 HE21 GLN 39 84.921 1.643 1.507 129 HE22 GLN 39 HE22 GLN 39 84.895 1.162 3.135 130 H GLU 40 H GLU 40 78.877 2.222 0.033 131 HA GLU 40 HA GLU 40 80.222 0.644 -1.867 132 HB2 GLU 40 HB2 GLU 40 77.262 0.914 -1.308 133 HB3 GLU 40 HB3 GLU 40 77.988 -0.361 -2.290 134 HG2 GLU 40 HG2 GLU 40 79.403 -1.012 -0.351 135 HG3 GLU 40 HG3 GLU 40 78.594 0.207 0.624 136 H VAL 41 H VAL 41 77.862 3.262 -2.276 137 HA VAL 41 HA VAL 41 77.591 3.161 -5.052 138 HB VAL 41 HB VAL 41 77.580 5.591 -3.240 139 HG11 VAL 41 HG11 VAL 41 76.176 6.600 -5.018 140 HG12 VAL 41 HG12 VAL 41 76.438 5.171 -6.020 141 HG13 VAL 41 HG13 VAL 41 77.795 6.219 -5.604 142 HG21 VAL 41 HG21 VAL 41 75.282 5.204 -2.924 143 HG22 VAL 41 HG22 VAL 41 75.961 3.582 -2.832 144 HG23 VAL 41 HG23 VAL 41 75.177 4.125 -4.312 145 H ASN 42 H ASN 42 79.960 4.951 -3.076 146 HA ASN 42 HA ASN 42 81.415 6.124 -5.159 147 HB2 ASN 42 HB2 ASN 42 82.335 5.173 -2.440 148 HB3 ASN 42 HB3 ASN 42 83.291 6.193 -3.516 149 HD21 ASN 42 HD21 ASN 42 81.431 6.492 -0.839 150 HD22 ASN 42 HD22 ASN 42 80.745 8.019 -1.117 151 H ASN 43 H ASN 43 81.536 2.865 -3.858 152 HA ASN 43 HA ASN 43 83.893 2.157 -5.407 153 HB2 ASN 43 HB2 ASN 43 82.050 0.494 -3.682 154 HB3 ASN 43 HB3 ASN 43 83.517 -0.106 -4.450 155 HD21 ASN 43 HD21 ASN 43 83.045 0.068 -1.541 156 HD22 ASN 43 HD22 ASN 43 84.225 1.121 -0.925 157 H ASP 44 H ASP 44 80.908 2.715 -6.512 158 HA ASP 44 HA ASP 44 79.607 1.943 -8.230 159 HB2 ASP 44 HB2 ASP 44 81.764 2.540 -9.356 160 HB3 ASP 44 HB3 ASP 44 82.231 0.846 -9.246 161 H GLN 45 H GLN 45 79.802 0.133 -5.960 162 HA GLN 45 HA GLN 45 79.757 -2.517 -7.189 163 HB2 GLN 45 HB2 GLN 45 79.350 -1.651 -4.320 164 HB3 GLN 45 HB3 GLN 45 79.361 -3.323 -4.879 165 HG2 GLN 45 HG2 GLN 45 81.649 -1.361 -5.195 166 HG3 GLN 45 HG3 GLN 45 81.571 -2.647 -3.995 167 HE21 GLN 45 HE21 GLN 45 82.967 -1.973 -6.908 168 HE22 GLN 45 HE22 GLN 45 83.074 -3.542 -7.548 169 H VAL 46 H VAL 46 77.480 -0.042 -6.326 170 HA VAL 46 HA VAL 46 75.242 -1.862 -6.029 171 HB VAL 46 HB VAL 46 75.252 1.156 -6.333 172 HG11 VAL 46 HG11 VAL 46 73.057 0.287 -6.792 173 HG12 VAL 46 HG12 VAL 46 73.029 0.884 -5.133 174 HG13 VAL 46 HG13 VAL 46 73.160 -0.847 -5.445 175 HG21 VAL 46 HG21 VAL 46 76.553 0.248 -4.359 176 HG22 VAL 46 HG22 VAL 46 75.055 -0.496 -3.798 177 HG23 VAL 46 HG23 VAL 46 75.175 1.259 -3.922 178 H ARG 47 H ARG 47 73.723 -2.377 -7.531 179 HA ARG 47 HA ARG 47 74.268 -1.519 -10.304 180 HB2 ARG 47 HB2 ARG 47 74.379 -3.951 -9.788 181 HB3 ARG 47 HB3 ARG 47 72.688 -3.895 -9.291 182 HG2 ARG 47 HG2 ARG 47 72.074 -3.081 -11.561 183 HG3 ARG 47 HG3 ARG 47 73.763 -3.238 -12.050 184 HD2 ARG 47 HD2 ARG 47 73.671 -5.657 -11.441 185 HD3 ARG 47 HD3 ARG 47 71.955 -5.474 -11.089 186 HE ARG 47 HE ARG 47 71.531 -5.413 -13.371 187 HH11 ARG 47 HH11 ARG 47 74.988 -5.065 -12.868 188 HH12 ARG 47 HH12 ARG 47 75.352 -5.238 -14.552 189 HH21 ARG 47 HH21 ARG 47 72.061 -5.629 -15.527 190 HH22 ARG 47 HH22 ARG 47 73.713 -5.553 -16.038 191 H GLU 48 H GLU 48 71.614 -2.157 -8.027 192 HA GLU 48 HA GLU 48 69.904 -0.287 -9.552 193 HB2 GLU 48 HB2 GLU 48 69.348 -2.646 -10.133 194 HB3 GLU 48 HB3 GLU 48 69.010 -2.951 -8.428 195 HG2 GLU 48 HG2 GLU 48 67.297 -1.156 -8.470 196 HG3 GLU 48 HG3 GLU 48 67.597 -0.927 -10.188 197 H ALA 49 H ALA 49 68.601 1.014 -8.350 198 HA ALA 49 HA ALA 49 68.335 0.461 -5.465 199 HB1 ALA 49 HB1 ALA 49 68.788 3.258 -6.481 200 HB2 ALA 49 HB2 ALA 49 70.143 2.216 -6.049 201 HB3 ALA 49 HB3 ALA 49 68.937 2.643 -4.835 202 H ARG 50 H ARG 50 66.252 0.216 -5.097 203 HA ARG 50 HA ARG 50 64.259 1.759 -6.601 204 HB2 ARG 50 HB2 ARG 50 64.020 -0.509 -4.607 205 HB3 ARG 50 HB3 ARG 50 62.641 0.297 -5.349 206 HG2 ARG 50 HG2 ARG 50 63.496 -0.335 -7.591 207 HG3 ARG 50 HG3 ARG 50 64.848 -1.171 -6.826 208 HD2 ARG 50 HD2 ARG 50 63.173 -2.829 -7.321 209 HD3 ARG 50 HD3 ARG 50 63.168 -2.576 -5.578 210 HE ARG 50 HE ARG 50 61.272 -0.844 -6.396 211 HH11 ARG 50 HH11 ARG 50 61.758 -4.232 -7.180 212 HH12 ARG 50 HH12 ARG 50 60.068 -4.520 -7.424 213 HH21 ARG 50 HH21 ARG 50 59.109 -1.277 -6.725 214 HH22 ARG 50 HH22 ARG 50 58.588 -2.867 -7.170 215 H ILE 51 H ILE 51 63.157 3.441 -5.699 216 HA ILE 51 HA ILE 51 63.745 4.106 -2.880 217 HB ILE 51 HB ILE 51 62.872 5.891 -5.169 218 HG12 ILE 51 HG12 ILE 51 65.554 5.721 -3.767 219 HG13 ILE 51 HG13 ILE 51 65.205 4.940 -5.310 220 HG21 ILE 51 HG21 ILE 51 62.111 6.745 -3.004 221 HG22 ILE 51 HG22 ILE 51 63.445 7.732 -3.601 222 HG23 ILE 51 HG23 ILE 51 63.729 6.541 -2.331 223 HD11 ILE 51 HD11 ILE 51 66.278 7.118 -5.684 224 HD12 ILE 51 HD12 ILE 51 65.015 7.913 -4.744 225 HD13 ILE 51 HD13 ILE 51 64.618 7.142 -6.280 226 H ASN 52 H ASN 52 62.147 3.968 -1.455 227 HA ASN 52 HA ASN 52 59.402 4.605 -2.269 228 HB2 ASN 52 HB2 ASN 52 59.740 2.091 -2.263 229 HB3 ASN 52 HB3 ASN 52 60.051 2.216 -0.533 230 HD21 ASN 52 HD21 ASN 52 58.048 0.865 -0.255 231 HD22 ASN 52 HD22 ASN 52 56.529 1.617 -0.337 232 H GLY 53 H GLY 53 59.330 6.498 -1.122 233 HA2 GLY 53 HA2 GLY 53 59.185 7.893 0.703 234 HA3 GLY 53 HA3 GLY 53 58.922 6.441 1.666 235 H ARG 54 H ARG 54 60.279 6.496 3.340 236 HA ARG 54 HA ARG 54 62.886 7.751 3.165 237 HB2 ARG 54 HB2 ARG 54 61.332 7.802 5.192 238 HB3 ARG 54 HB3 ARG 54 61.830 6.134 5.477 239 HG2 ARG 54 HG2 ARG 54 64.174 6.822 5.617 240 HG3 ARG 54 HG3 ARG 54 63.726 8.489 5.252 241 HD2 ARG 54 HD2 ARG 54 63.980 8.323 7.639 242 HD3 ARG 54 HD3 ARG 54 62.256 8.451 7.301 243 HE ARG 54 HE ARG 54 63.269 5.735 7.496 244 HH11 ARG 54 HH11 ARG 54 61.807 8.401 9.249 245 HH12 ARG 54 HH12 ARG 54 61.201 7.373 10.505 246 HH21 ARG 54 HH21 ARG 54 62.464 4.462 9.138 247 HH22 ARG 54 HH22 ARG 54 61.569 5.171 10.441 248 H GLU 55 H GLU 55 61.746 4.589 2.494 249 HA GLU 55 HA GLU 55 64.300 3.355 3.298 250 HB2 GLU 55 HB2 GLU 55 61.662 2.106 2.496 251 HB3 GLU 55 HB3 GLU 55 63.106 1.216 2.981 252 HG2 GLU 55 HG2 GLU 55 63.067 2.404 5.167 253 HG3 GLU 55 HG3 GLU 55 61.577 3.204 4.684 254 H ILE 56 H ILE 56 65.650 2.435 1.825 255 HA ILE 56 HA ILE 56 64.805 2.405 -1.019 256 HB ILE 56 HB ILE 56 67.613 2.791 0.064 257 HG12 ILE 56 HG12 ILE 56 65.836 4.799 -1.349 258 HG13 ILE 56 HG13 ILE 56 66.028 4.739 0.403 259 HG21 ILE 56 HG21 ILE 56 66.576 3.121 -2.763 260 HG22 ILE 56 HG22 ILE 56 67.318 1.630 -2.185 261 HG23 ILE 56 HG23 ILE 56 68.255 3.121 -2.227 262 HD11 ILE 56 HD11 ILE 56 68.355 5.021 -1.521 263 HD12 ILE 56 HD12 ILE 56 68.393 5.191 0.233 264 HD13 ILE 56 HD13 ILE 56 67.554 6.388 -0.752 265 H ASN 57 H ASN 57 64.878 0.438 -1.971 266 HA ASN 57 HA ASN 57 66.200 -1.769 -0.509 267 HB2 ASN 57 HB2 ASN 57 64.203 -1.861 -2.794 268 HB3 ASN 57 HB3 ASN 57 64.866 -3.260 -1.950 269 HD21 ASN 57 HD21 ASN 57 64.742 -2.405 0.731 270 HD22 ASN 57 HD22 ASN 57 63.121 -2.148 1.163 271 H VAL 58 H VAL 58 67.989 -2.756 -1.405 272 HA VAL 58 HA VAL 58 68.939 -1.590 -3.964 273 HB VAL 58 HB VAL 58 70.608 -2.071 -1.492 274 HG11 VAL 58 HG11 VAL 58 72.140 -0.485 -2.933 275 HG12 VAL 58 HG12 VAL 58 71.154 -1.069 -4.273 276 HG13 VAL 58 HG13 VAL 58 72.082 -2.209 -3.301 277 HG21 VAL 58 HG21 VAL 58 68.937 -0.151 -1.316 278 HG22 VAL 58 HG22 VAL 58 69.787 0.599 -2.667 279 HG23 VAL 58 HG23 VAL 58 70.630 0.303 -1.146 280 H THR 59 H THR 59 69.920 -2.913 -5.347 281 HA THR 59 HA THR 59 70.604 -5.658 -4.456 282 HB THR 59 HB THR 59 69.794 -4.757 -7.235 283 HG1 THR 59 HG1 THR 59 67.951 -6.073 -6.592 284 HG21 THR 59 HG21 THR 59 69.742 -7.595 -6.316 285 HG22 THR 59 HG22 THR 59 71.316 -6.891 -6.682 286 HG23 THR 59 HG23 THR 59 70.064 -6.939 -7.920 287 H LYS 60 H LYS 60 72.719 -6.099 -4.535 288 HA LYS 60 HA LYS 60 74.565 -4.287 -5.838 289 HB2 LYS 60 HB2 LYS 60 74.999 -6.843 -4.283 290 HB3 LYS 60 HB3 LYS 60 76.294 -5.825 -4.910 291 HG2 LYS 60 HG2 LYS 60 75.368 -3.910 -3.606 292 HG3 LYS 60 HG3 LYS 60 74.173 -5.006 -2.905 293 HD2 LYS 60 HD2 LYS 60 76.037 -6.436 -2.059 294 HD3 LYS 60 HD3 LYS 60 77.186 -5.241 -2.661 295 HE2 LYS 60 HE2 LYS 60 75.801 -3.546 -1.247 296 HE3 LYS 60 HE3 LYS 60 75.202 -4.980 -0.415 297 HZ1 LYS 60 HZ1 LYS 60 77.778 -5.518 -0.409 298 HZ2 LYS 60 HZ2 LYS 60 77.041 -4.603 0.818 299 HZ3 LYS 60 HZ3 LYS 60 77.879 -3.824 -0.438 300 H LYS 61 H LYS 61 76.166 -4.982 -7.383 301 HA LYS 61 HA LYS 61 75.240 -6.421 -9.578 302 HB2 LYS 61 HB2 LYS 61 78.083 -5.933 -8.668 303 HB3 LYS 61 HB3 LYS 61 77.640 -6.555 -10.258 304 HG2 LYS 61 HG2 LYS 61 76.361 -4.541 -10.742 305 HG3 LYS 61 HG3 LYS 61 76.652 -3.927 -9.115 306 HD2 LYS 61 HD2 LYS 61 78.226 -2.843 -10.588 307 HD3 LYS 61 HD3 LYS 61 79.125 -4.009 -9.614 308 HE2 LYS 61 HE2 LYS 61 79.176 -5.600 -11.417 309 HE3 LYS 61 HE3 LYS 61 78.045 -4.641 -12.371 310 HZ1 LYS 61 HZ1 LYS 61 80.874 -4.379 -12.121 311 HZ2 LYS 61 HZ2 LYS 61 80.081 -2.918 -11.770 312 HZ3 LYS 61 HZ3 LYS 61 79.825 -3.689 -13.262 313 H ASP 62 H ASP 62 76.769 -7.618 -6.648 314 HA ASP 62 HA ASP 62 77.357 -10.218 -7.788 315 HB2 ASP 62 HB2 ASP 62 78.763 -9.087 -6.038 316 HB3 ASP 62 HB3 ASP 62 77.462 -9.392 -4.888 317 H SER 63 H SER 63 74.441 -9.110 -7.314 318 HA SER 63 HA SER 63 72.425 -10.155 -7.107 319 HB2 SER 63 HB2 SER 63 73.826 -12.703 -6.328 320 HB3 SER 63 HB3 SER 63 72.230 -12.506 -7.043 321 HG SER 63 HG SER 63 74.682 -12.463 -8.208 322 H ASN 64 H ASN 64 74.573 -9.759 -4.535 323 HA ASN 64 HA ASN 64 72.964 -10.849 -2.433 324 HB2 ASN 64 HB2 ASN 64 75.084 -8.689 -2.399 325 HB3 ASN 64 HB3 ASN 64 74.375 -9.426 -0.964 326 HD21 ASN 64 HD21 ASN 64 77.203 -9.593 -1.657 327 HD22 ASN 64 HD22 ASN 64 77.554 -11.231 -1.934 328 H ARG 65 H ARG 65 71.286 -9.919 -1.319 329 HA ARG 65 HA ARG 65 70.396 -7.251 -2.262 330 HB2 ARG 65 HB2 ARG 65 68.811 -9.589 -1.186 331 HB3 ARG 65 HB3 ARG 65 68.127 -8.013 -1.587 332 HG2 ARG 65 HG2 ARG 65 69.017 -8.275 -3.914 333 HG3 ARG 65 HG3 ARG 65 69.530 -9.908 -3.493 334 HD2 ARG 65 HD2 ARG 65 66.685 -8.864 -3.428 335 HD3 ARG 65 HD3 ARG 65 67.356 -9.964 -4.626 336 HE ARG 65 HE ARG 65 67.507 -10.856 -1.852 337 HH11 ARG 65 HH11 ARG 65 65.727 -11.005 -4.875 338 HH12 ARG 65 HH12 ARG 65 64.919 -12.475 -4.439 339 HH21 ARG 65 HH21 ARG 65 66.438 -12.743 -1.348 340 HH22 ARG 65 HH22 ARG 65 65.317 -13.445 -2.467 341 H TYR 66 H TYR 66 69.797 -5.700 -0.813 342 HA TYR 66 HA TYR 66 69.600 -6.332 2.016 343 HB2 TYR 66 HB2 TYR 66 71.337 -4.898 2.762 344 HB3 TYR 66 HB3 TYR 66 72.026 -5.999 1.593 345 HD1 TYR 66 HD1 TYR 66 71.008 -2.511 2.250 346 HD2 TYR 66 HD2 TYR 66 72.927 -5.191 -0.505 347 HE1 TYR 66 HE1 TYR 66 71.957 -0.574 1.028 348 HE2 TYR 66 HE2 TYR 66 73.872 -3.252 -1.730 349 HH TYR 66 HH TYR 66 74.402 -0.753 -1.024 350 H THR 67 H THR 67 69.012 -4.397 3.309 351 HA THR 67 HA THR 67 67.533 -2.391 1.711 352 HB THR 67 HB THR 67 66.643 -3.604 4.340 353 HG1 THR 67 HG1 THR 67 65.790 -5.038 3.120 354 HG21 THR 67 HG21 THR 67 65.754 -1.413 4.171 355 HG22 THR 67 HG22 THR 67 64.469 -2.462 3.569 356 HG23 THR 67 HG23 THR 67 65.482 -1.570 2.434 357 H THR 68 H THR 68 67.788 -0.300 2.325 358 HA THR 68 HA THR 68 69.309 0.225 4.818 359 HB THR 68 HB THR 68 70.813 0.396 2.889 360 HG1 THR 68 HG1 THR 68 70.884 1.906 4.642 361 HG21 THR 68 HG21 THR 68 70.434 1.960 1.104 362 HG22 THR 68 HG22 THR 68 69.005 2.615 1.905 363 HG23 THR 68 HG23 THR 68 68.977 0.978 1.250 364 H TYR 69 H TYR 69 68.759 2.026 5.972 365 HA TYR 69 HA TYR 69 66.305 3.426 5.106 366 HB2 TYR 69 HB2 TYR 69 67.586 3.289 7.839 367 HB3 TYR 69 HB3 TYR 69 66.050 4.039 7.452 368 HD1 TYR 69 HD1 TYR 69 67.842 0.869 7.943 369 HD2 TYR 69 HD2 TYR 69 64.064 2.681 6.999 370 HE1 TYR 69 HE1 TYR 69 66.703 -1.295 8.353 371 HE2 TYR 69 HE2 TYR 69 62.925 0.516 7.408 372 HH TYR 69 HH TYR 69 64.442 -2.338 7.559 373 H ILE 70 H ILE 70 66.278 5.643 4.858 374 HA ILE 70 HA ILE 70 68.891 6.952 4.849 375 HB ILE 70 HB ILE 70 66.277 8.142 3.928 376 HG12 ILE 70 HG12 ILE 70 68.319 6.719 2.195 377 HG13 ILE 70 HG13 ILE 70 66.824 5.959 2.738 378 HG21 ILE 70 HG21 ILE 70 68.365 9.552 4.369 379 HG22 ILE 70 HG22 ILE 70 67.664 9.684 2.756 380 HG23 ILE 70 HG23 ILE 70 69.104 8.696 3.016 381 HD11 ILE 70 HD11 ILE 70 66.111 6.814 0.711 382 HD12 ILE 70 HD12 ILE 70 67.214 8.187 0.782 383 HD13 ILE 70 HD13 ILE 70 65.741 8.186 1.751 384 HA PRO 71 HA PRO 71 67.483 8.564 8.927 385 HB2 PRO 71 HB2 PRO 71 69.748 10.228 9.245 386 HB3 PRO 71 HB3 PRO 71 69.513 8.610 9.924 387 HG2 PRO 71 HG2 PRO 71 71.057 9.455 7.568 388 HG3 PRO 71 HG3 PRO 71 71.297 8.075 8.651 389 HD2 PRO 71 HD2 PRO 71 70.311 7.809 6.127 390 HD3 PRO 71 HD3 PRO 71 69.876 6.704 7.440 391 H VAL 72 H VAL 72 68.956 10.627 6.421 392 HA VAL 72 HA VAL 72 66.666 12.446 6.680 393 HB VAL 72 HB VAL 72 69.544 13.380 6.470 394 HG11 VAL 72 HG11 VAL 72 67.860 14.795 5.296 395 HG12 VAL 72 HG12 VAL 72 68.581 15.620 6.679 396 HG13 VAL 72 HG13 VAL 72 66.961 14.935 6.807 397 HG21 VAL 72 HG21 VAL 72 67.558 13.474 8.763 398 HG22 VAL 72 HG22 VAL 72 69.092 14.344 8.739 399 HG23 VAL 72 HG23 VAL 72 69.079 12.580 8.727 400 H GLN 73 H GLN 73 65.893 13.144 4.726 401 HA GLN 73 HA GLN 73 66.540 11.678 2.424 402 HB2 GLN 73 HB2 GLN 73 65.122 14.339 2.691 403 HB3 GLN 73 HB3 GLN 73 65.162 13.371 1.217 404 HG2 GLN 73 HG2 GLN 73 64.076 11.508 2.369 405 HG3 GLN 73 HG3 GLN 73 64.101 12.402 3.886 406 HE21 GLN 73 HE21 GLN 73 61.648 11.478 2.728 407 HE22 GLN 73 HE22 GLN 73 60.743 12.833 2.249 408 H ASP 74 H ASP 74 68.011 11.917 0.862 409 HA ASP 74 HA ASP 74 69.685 14.365 0.868 410 HB2 ASP 74 HB2 ASP 74 70.594 11.976 1.578 411 HB3 ASP 74 HB3 ASP 74 70.722 11.758 -0.163 412 HA PRO 75 HA PRO 75 67.518 14.196 -3.240 413 HB2 PRO 75 HB2 PRO 75 68.506 17.013 -3.263 414 HB3 PRO 75 HB3 PRO 75 66.902 16.374 -3.679 415 HG2 PRO 75 HG2 PRO 75 67.257 17.657 -1.410 416 HG3 PRO 75 HG3 PRO 75 66.255 16.191 -1.461 417 HD2 PRO 75 HD2 PRO 75 69.086 16.490 -0.484 418 HD3 PRO 75 HD3 PRO 75 67.744 15.558 0.227 419 H LYS 76 H LYS 76 70.712 15.361 -2.349 420 HA LYS 76 HA LYS 76 71.806 15.588 -4.962 421 HB2 LYS 76 HB2 LYS 76 72.834 16.570 -2.912 422 HB3 LYS 76 HB3 LYS 76 73.267 14.940 -2.392 423 HG2 LYS 76 HG2 LYS 76 74.552 14.637 -4.500 424 HG3 LYS 76 HG3 LYS 76 74.180 16.303 -4.941 425 HD2 LYS 76 HD2 LYS 76 75.266 17.051 -2.808 426 HD3 LYS 76 HD3 LYS 76 75.758 15.382 -2.525 427 HE2 LYS 76 HE2 LYS 76 76.756 15.546 -4.943 428 HE3 LYS 76 HE3 LYS 76 76.681 17.285 -4.660 429 HZ1 LYS 76 HZ1 LYS 76 77.994 15.345 -2.838 430 HZ2 LYS 76 HZ2 LYS 76 78.015 17.038 -2.707 431 HZ3 LYS 76 HZ3 LYS 76 78.814 16.273 -3.997 432 H LEU 77 H LEU 77 71.324 12.843 -2.823 433 HA LEU 77 HA LEU 77 73.212 11.075 -3.900 434 HB2 LEU 77 HB2 LEU 77 71.891 10.677 -1.824 435 HB3 LEU 77 HB3 LEU 77 70.470 10.374 -2.824 436 HG LEU 77 HG LEU 77 71.819 8.579 -4.009 437 HD11 LEU 77 HD11 LEU 77 74.063 9.181 -3.464 438 HD12 LEU 77 HD12 LEU 77 73.741 7.703 -2.557 439 HD13 LEU 77 HD13 LEU 77 73.698 9.266 -1.741 440 HD21 LEU 77 HD21 LEU 77 70.170 7.906 -2.392 441 HD22 LEU 77 HD22 LEU 77 71.213 8.370 -1.048 442 HD23 LEU 77 HD23 LEU 77 71.629 6.977 -2.046 443 H LEU 78 H LEU 78 69.948 11.908 -4.987 444 HA LEU 78 HA LEU 78 69.608 9.822 -6.851 445 HB2 LEU 78 HB2 LEU 78 68.541 12.654 -6.983 446 HB3 LEU 78 HB3 LEU 78 67.922 11.274 -7.887 447 HG LEU 78 HG LEU 78 68.007 11.448 -4.860 448 HD11 LEU 78 HD11 LEU 78 66.390 13.040 -5.752 449 HD12 LEU 78 HD12 LEU 78 65.525 11.656 -5.085 450 HD13 LEU 78 HD13 LEU 78 65.729 11.811 -6.830 451 HD21 LEU 78 HD21 LEU 78 68.049 9.155 -5.452 452 HD22 LEU 78 HD22 LEU 78 66.996 9.406 -6.844 453 HD23 LEU 78 HD23 LEU 78 66.336 9.496 -5.211 454 H ASP 79 H ASP 79 70.953 13.093 -7.225 455 HA ASP 79 HA ASP 79 71.406 12.967 -9.999 456 HB2 ASP 79 HB2 ASP 79 71.516 15.043 -8.601 457 HB3 ASP 79 HB3 ASP 79 73.062 14.479 -7.968 458 H ASN 80 H ASN 80 73.453 12.019 -7.266 459 HA ASN 80 HA ASN 80 75.785 11.432 -8.709 460 HB2 ASN 80 HB2 ASN 80 75.444 11.518 -6.171 461 HB3 ASN 80 HB3 ASN 80 74.847 9.867 -6.308 462 HD21 ASN 80 HD21 ASN 80 76.783 9.226 -4.991 463 HD22 ASN 80 HD22 ASN 80 78.288 9.064 -5.758 464 H LEU 81 H LEU 81 73.073 9.287 -7.809 465 HA LEU 81 HA LEU 81 74.113 6.928 -8.915 466 HB2 LEU 81 HB2 LEU 81 71.217 7.769 -8.640 467 HB3 LEU 81 HB3 LEU 81 71.784 6.123 -8.916 468 HG LEU 81 HG LEU 81 72.566 7.814 -6.525 469 HD11 LEU 81 HD11 LEU 81 70.171 7.260 -6.464 470 HD12 LEU 81 HD12 LEU 81 71.048 6.311 -5.263 471 HD13 LEU 81 HD13 LEU 81 70.545 5.565 -6.780 472 HD21 LEU 81 HD21 LEU 81 73.127 4.996 -7.432 473 HD22 LEU 81 HD22 LEU 81 73.143 5.399 -5.715 474 HD23 LEU 81 HD23 LEU 81 74.258 6.205 -6.820 475 H LEU 82 H LEU 82 72.306 9.572 -10.428 476 HA LEU 82 HA LEU 82 71.840 8.176 -12.878 477 HB2 LEU 82 HB2 LEU 82 71.964 11.159 -12.342 478 HB3 LEU 82 HB3 LEU 82 71.340 10.414 -13.815 479 HG LEU 82 HG LEU 82 70.240 9.888 -11.040 480 HD11 LEU 82 HD11 LEU 82 69.203 11.650 -13.282 481 HD12 LEU 82 HD12 LEU 82 69.812 12.207 -11.724 482 HD13 LEU 82 HD13 LEU 82 68.321 11.268 -11.804 483 HD21 LEU 82 HD21 LEU 82 69.549 8.981 -13.826 484 HD22 LEU 82 HD22 LEU 82 68.288 9.090 -12.598 485 HD23 LEU 82 HD23 LEU 82 69.672 8.026 -12.349 486 H THR 83 H THR 83 74.384 10.474 -11.883 487 HA THR 83 HA THR 83 75.764 10.534 -14.320 488 HB THR 83 HB THR 83 76.982 10.681 -11.554 489 HG1 THR 83 HG1 THR 83 75.852 12.411 -11.455 490 HG21 THR 83 HG21 THR 83 77.840 11.558 -14.312 491 HG22 THR 83 HG22 THR 83 78.731 10.577 -13.148 492 HG23 THR 83 HG23 THR 83 78.505 12.302 -12.857 493 H LYS 84 H LYS 84 75.795 8.134 -11.752 494 HA LYS 84 HA LYS 84 78.063 6.713 -12.858 495 HB2 LYS 84 HB2 LYS 84 76.184 6.045 -10.588 496 HB3 LYS 84 HB3 LYS 84 77.585 5.071 -11.046 497 HG2 LYS 84 HG2 LYS 84 79.035 7.076 -10.730 498 HG3 LYS 84 HG3 LYS 84 77.627 7.970 -10.158 499 HD2 LYS 84 HD2 LYS 84 77.325 6.261 -8.362 500 HD3 LYS 84 HD3 LYS 84 78.820 5.489 -8.892 501 HE2 LYS 84 HE2 LYS 84 79.824 7.912 -8.620 502 HE3 LYS 84 HE3 LYS 84 78.436 8.149 -7.557 503 HZ1 LYS 84 HZ1 LYS 84 80.820 6.617 -7.134 504 HZ2 LYS 84 HZ2 LYS 84 79.409 5.725 -6.817 505 HZ3 LYS 84 HZ3 LYS 84 79.689 7.193 -6.008 506 H ASN 85 H ASN 85 74.934 6.866 -13.912 507 HA ASN 85 HA ASN 85 73.640 5.553 -15.247 508 HB2 ASN 85 HB2 ASN 85 76.147 3.886 -15.581 509 HB3 ASN 85 HB3 ASN 85 74.734 3.888 -16.631 510 HD21 ASN 85 HD21 ASN 85 77.731 4.840 -16.920 511 HD22 ASN 85 HD22 ASN 85 77.558 6.360 -17.656 512 H VAL 86 H VAL 86 73.544 5.095 -12.465 513 HA VAL 86 HA VAL 86 73.198 2.194 -12.212 514 HB VAL 86 HB VAL 86 72.751 4.395 -10.175 515 HG11 VAL 86 HG11 VAL 86 71.509 2.265 -9.771 516 HG12 VAL 86 HG12 VAL 86 72.744 2.572 -8.550 517 HG13 VAL 86 HG13 VAL 86 73.041 1.394 -9.829 518 HG21 VAL 86 HG21 VAL 86 74.919 3.777 -9.276 519 HG22 VAL 86 HG22 VAL 86 75.123 4.155 -10.986 520 HG23 VAL 86 HG23 VAL 86 75.082 2.474 -10.454 521 H LYS 87 H LYS 87 71.173 1.215 -12.048 522 HA LYS 87 HA LYS 87 69.050 2.626 -13.372 523 HB2 LYS 87 HB2 LYS 87 69.457 0.169 -13.623 524 HB3 LYS 87 HB3 LYS 87 68.911 -0.047 -11.959 525 HG2 LYS 87 HG2 LYS 87 66.728 0.875 -12.500 526 HG3 LYS 87 HG3 LYS 87 67.258 1.258 -14.139 527 HD2 LYS 87 HD2 LYS 87 65.997 -0.800 -14.241 528 HD3 LYS 87 HD3 LYS 87 67.698 -1.199 -14.488 529 HE2 LYS 87 HE2 LYS 87 67.930 -1.932 -12.198 530 HE3 LYS 87 HE3 LYS 87 66.314 -1.348 -11.798 531 HZ1 LYS 87 HZ1 LYS 87 65.315 -3.027 -12.993 532 HZ2 LYS 87 HZ2 LYS 87 66.655 -3.830 -12.326 533 HZ3 LYS 87 HZ3 LYS 87 66.684 -3.326 -13.948 534 H VAL 88 H VAL 88 67.302 3.632 -12.520 535 HA VAL 88 HA VAL 88 67.003 3.584 -9.569 536 HB VAL 88 HB VAL 88 66.728 6.016 -11.357 537 HG11 VAL 88 HG11 VAL 88 66.383 5.510 -8.402 538 HG12 VAL 88 HG12 VAL 88 65.283 6.327 -9.513 539 HG13 VAL 88 HG13 VAL 88 66.778 7.117 -9.011 540 HG21 VAL 88 HG21 VAL 88 68.946 5.007 -9.580 541 HG22 VAL 88 HG22 VAL 88 68.740 6.735 -9.865 542 HG23 VAL 88 HG23 VAL 88 69.052 5.649 -11.220 543 H VAL 89 H VAL 89 65.021 3.233 -8.850 544 HA VAL 89 HA VAL 89 62.745 3.478 -10.745 545 HB VAL 89 HB VAL 89 62.970 1.500 -8.465 546 HG11 VAL 89 HG11 VAL 89 61.017 1.842 -10.756 547 HG12 VAL 89 HG12 VAL 89 60.684 2.076 -9.039 548 HG13 VAL 89 HG13 VAL 89 61.030 0.462 -9.658 549 HG21 VAL 89 HG21 VAL 89 63.700 1.277 -11.373 550 HG22 VAL 89 HG22 VAL 89 63.048 -0.131 -10.532 551 HG23 VAL 89 HG23 VAL 89 64.534 0.629 -9.960 552 H GLY 90 H GLY 90 61.076 4.735 -10.056 553 HA2 GLY 90 HA2 GLY 90 61.125 5.646 -7.233 554 HA3 GLY 90 HA3 GLY 90 60.456 6.566 -8.577 555 H GLU 91 H GLU 91 59.509 5.021 -5.928 556 HA GLU 91 HA GLU 91 56.831 4.640 -6.990 557 HB2 GLU 91 HB2 GLU 91 58.508 2.378 -5.945 558 HB3 GLU 91 HB3 GLU 91 56.759 2.359 -5.722 559 HG2 GLU 91 HG2 GLU 91 56.643 2.892 -8.258 560 HG3 GLU 91 HG3 GLU 91 58.322 2.360 -8.298 561 HA PRO 92 HA PRO 92 57.025 6.628 -2.810 562 HB2 PRO 92 HB2 PRO 92 54.366 7.616 -3.722 563 HB3 PRO 92 HB3 PRO 92 55.704 8.505 -2.971 564 HG2 PRO 92 HG2 PRO 92 55.153 8.746 -5.561 565 HG3 PRO 92 HG3 PRO 92 56.819 8.780 -4.953 566 HD2 PRO 92 HD2 PRO 92 55.385 6.578 -6.382 567 HD3 PRO 92 HD3 PRO 92 57.099 7.046 -6.456 568 HA PRO 93 HA PRO 93 54.659 3.400 -0.839 569 HB2 PRO 93 HB2 PRO 93 53.820 5.463 1.160 570 HB3 PRO 93 HB3 PRO 93 54.547 3.864 1.425 571 HG2 PRO 93 HG2 PRO 93 56.004 6.032 1.718 572 HG3 PRO 93 HG3 PRO 93 56.681 4.601 0.911 573 HD2 PRO 93 HD2 PRO 93 55.683 7.151 -0.321 574 HD3 PRO 93 HD3 PRO 93 57.088 6.156 -0.769 575 H GLU 94 H GLU 94 52.578 2.617 -0.911 576 HA GLU 94 HA GLU 94 50.424 4.532 -1.613 577 HB2 GLU 94 HB2 GLU 94 50.799 1.666 -2.519 578 HB3 GLU 94 HB3 GLU 94 49.414 2.687 -2.910 579 HG2 GLU 94 HG2 GLU 94 50.958 4.321 -3.977 580 HG3 GLU 94 HG3 GLU 94 52.300 3.233 -3.654 581 H GLU 95 H GLU 95 48.356 4.131 -0.770 582 HA GLU 95 HA GLU 95 48.210 2.134 1.411 583 HB2 GLU 95 HB2 GLU 95 47.335 5.026 1.447 584 HB3 GLU 95 HB3 GLU 95 46.787 3.838 2.631 585 HG2 GLU 95 HG2 GLU 95 49.348 3.330 2.898 586 HG3 GLU 95 HG3 GLU 95 49.551 4.931 2.189 587 HA PRO 96 HA PRO 96 44.728 1.607 -1.675 588 HB2 PRO 96 HB2 PRO 96 44.598 -1.137 -1.310 589 HB3 PRO 96 HB3 PRO 96 45.553 -0.325 -2.565 590 HG2 PRO 96 HG2 PRO 96 46.424 -1.353 0.097 591 HG3 PRO 96 HG3 PRO 96 47.227 -1.483 -1.483 592 HD2 PRO 96 HD2 PRO 96 48.070 0.338 0.282 593 HD3 PRO 96 HD3 PRO 96 47.972 0.743 -1.448 594 H LEU 97 H LEU 97 45.246 0.656 1.648 595 HA LEU 97 HA LEU 97 42.723 -0.370 2.298 596 HB2 LEU 97 HB2 LEU 97 44.727 -0.431 3.778 597 HB3 LEU 97 HB3 LEU 97 44.523 1.296 4.070 598 HG LEU 97 HG LEU 97 42.166 0.779 4.857 599 HD11 LEU 97 HD11 LEU 97 41.929 -1.656 5.637 600 HD12 LEU 97 HD12 LEU 97 43.265 -2.020 4.544 601 HD13 LEU 97 HD13 LEU 97 41.757 -1.366 3.906 602 HD21 LEU 97 HD21 LEU 97 42.913 0.023 7.068 603 HD22 LEU 97 HD22 LEU 97 44.072 1.177 6.408 604 HD23 LEU 97 HD23 LEU 97 44.432 -0.549 6.379 605 H GLU 98 H GLU 98 43.868 2.975 2.066 606 HA GLU 98 HA GLU 98 41.695 4.227 3.334 607 HB2 GLU 98 HB2 GLU 98 43.465 5.236 1.095 608 HB3 GLU 98 HB3 GLU 98 42.387 6.243 2.064 609 HG2 GLU 98 HG2 GLU 98 43.588 5.506 4.115 610 HG3 GLU 98 HG3 GLU 98 44.702 4.589 3.109 611 H HIS 99 H HIS 99 39.658 4.582 2.754 612 HA HIS 99 HA HIS 99 38.541 3.470 0.391 613 HB2 HIS 99 HB2 HIS 99 37.411 5.445 2.371 614 HB3 HIS 99 HB3 HIS 99 36.482 4.667 1.104 615 HD1 HIS 99 HD1 HIS 99 38.060 4.057 4.435 616 HD2 HIS 99 HD2 HIS 99 35.915 1.900 1.585 617 HE1 HIS 99 HE1 HIS 99 37.376 1.887 5.546 618 H HIS 100 H HIS 100 39.623 6.716 1.244 619 HA HIS 100 HA HIS 100 38.301 8.179 -0.740 620 HB2 HIS 100 HB2 HIS 100 41.021 8.636 0.488 621 HB3 HIS 100 HB3 HIS 100 40.152 9.814 -0.478 622 HD1 HIS 100 HD1 HIS 100 40.244 8.227 2.903 623 HD2 HIS 100 HD2 HIS 100 37.926 11.027 0.861 624 HE1 HIS 100 HE1 HIS 100 38.796 9.361 4.642 625 H HIS 101 H HIS 101 38.784 8.735 -2.831 626 HA HIS 101 HA HIS 101 40.597 6.924 -4.236 627 HB2 HIS 101 HB2 HIS 101 38.563 8.910 -5.240 628 HB3 HIS 101 HB3 HIS 101 39.542 7.882 -6.270 629 HD1 HIS 101 HD1 HIS 101 36.603 7.843 -3.961 630 HD2 HIS 101 HD2 HIS 101 38.758 5.128 -6.278 631 HE1 HIS 101 HE1 HIS 101 35.224 5.723 -4.044 632 H HIS 102 H HIS 102 40.531 10.245 -3.213 633 HA HIS 102 HA HIS 102 42.029 11.494 -5.204 634 HB2 HIS 102 HB2 HIS 102 40.934 12.647 -3.310 635 HB3 HIS 102 HB3 HIS 102 42.151 11.995 -2.229 636 HD1 HIS 102 HD1 HIS 102 42.070 14.098 -5.419 637 HD2 HIS 102 HD2 HIS 102 44.238 13.753 -1.874 638 HE1 HIS 102 HE1 HIS 102 43.780 15.965 -5.441 639 H HIS 103 H HIS 103 43.110 9.536 -2.458 640 HA HIS 103 HA HIS 103 45.868 10.049 -2.666 641 HB2 HIS 103 HB2 HIS 103 44.390 7.592 -1.723 642 HB3 HIS 103 HB3 HIS 103 46.119 7.823 -1.544 643 HD1 HIS 103 HD1 HIS 103 42.814 8.958 -0.205 644 HD2 HIS 103 HD2 HIS 103 46.858 9.708 0.472 645 HE1 HIS 103 HE1 HIS 103 42.947 10.254 1.965 646 H HIS 104 H HIS 104 47.535 8.974 -3.729 647 HA HIS 104 HA HIS 104 46.881 7.947 -6.324 648 HB2 HIS 104 HB2 HIS 104 49.503 8.080 -4.833 649 HB3 HIS 104 HB3 HIS 104 49.337 7.601 -6.512 650 HD1 HIS 104 HD1 HIS 104 49.288 10.575 -4.250 651 HD2 HIS 104 HD2 HIS 104 48.777 9.763 -8.307 652 HE1 HIS 104 HE1 HIS 104 49.361 12.807 -5.441 Start of MODEL 7 1 H1 MET 23 HT1 MET 23 58.660 -15.549 -2.479 2 H2 MET 23 HT2 MET 23 57.573 -15.545 -3.783 3 H3 MET 23 HT3 MET 23 56.990 -15.604 -2.188 4 HA MET 23 HA MET 23 58.312 -13.334 -3.559 5 HB2 MET 23 HB2 MET 23 55.608 -13.730 -2.244 6 HB3 MET 23 HB3 MET 23 56.201 -12.186 -2.855 7 HG2 MET 23 HG2 MET 23 56.463 -13.215 -5.110 8 HG3 MET 23 HG3 MET 23 55.764 -14.707 -4.482 9 HE1 MET 23 HE1 MET 23 53.353 -14.646 -6.196 10 HE2 MET 23 HE2 MET 23 54.815 -13.856 -6.782 11 HE3 MET 23 HE3 MET 23 53.265 -13.027 -6.900 12 H ALA 24 H ALA 24 57.187 -14.672 -0.467 13 HA ALA 24 HA ALA 24 57.930 -12.511 1.176 14 HB1 ALA 24 HB1 ALA 24 56.510 -14.567 1.765 15 HB2 ALA 24 HB2 ALA 24 57.620 -13.976 3.002 16 HB3 ALA 24 HB3 ALA 24 58.042 -15.395 2.043 17 H SER 25 H SER 25 59.774 -15.295 -0.001 18 HA SER 25 HA SER 25 62.055 -15.015 1.600 19 HB2 SER 25 HB2 SER 25 61.580 -16.943 0.087 20 HB3 SER 25 HB3 SER 25 61.967 -15.913 -1.287 21 HG SER 25 HG SER 25 63.635 -17.262 0.056 22 H GLU 26 H GLU 26 61.108 -13.330 -1.358 23 HA GLU 26 HA GLU 26 63.582 -12.141 -1.968 24 HB2 GLU 26 HB2 GLU 26 60.770 -11.150 -2.481 25 HB3 GLU 26 HB3 GLU 26 62.224 -10.480 -3.222 26 HG2 GLU 26 HG2 GLU 26 62.752 -12.726 -4.151 27 HG3 GLU 26 HG3 GLU 26 61.248 -13.337 -3.475 28 H SER 27 H SER 27 61.035 -11.178 0.286 29 HA SER 27 HA SER 27 61.817 -8.533 0.751 30 HB2 SER 27 HB2 SER 27 60.552 -8.663 2.784 31 HB3 SER 27 HB3 SER 27 59.723 -9.642 1.579 32 HG SER 27 HG SER 27 60.135 -11.296 2.785 33 H ASN 28 H ASN 28 63.284 -11.515 1.872 34 HA ASN 28 HA ASN 28 64.685 -10.588 4.108 35 HB2 ASN 28 HB2 ASN 28 65.580 -12.628 2.057 36 HB3 ASN 28 HB3 ASN 28 66.243 -12.438 3.679 37 HD21 ASN 28 HD21 ASN 28 64.570 -14.681 2.306 38 HD22 ASN 28 HD22 ASN 28 63.329 -14.977 3.426 39 H GLY 29 H GLY 29 66.697 -9.647 4.392 40 HA2 GLY 29 HA2 GLY 29 68.589 -9.141 2.375 41 HA3 GLY 29 HA3 GLY 29 67.537 -7.736 2.505 42 H ARG 30 H ARG 30 70.443 -8.359 3.247 43 HA ARG 30 HA ARG 30 70.746 -8.253 6.061 44 HB2 ARG 30 HB2 ARG 30 72.540 -7.179 3.868 45 HB3 ARG 30 HB3 ARG 30 73.010 -7.362 5.559 46 HG2 ARG 30 HG2 ARG 30 72.499 -9.797 5.403 47 HG3 ARG 30 HG3 ARG 30 72.152 -9.587 3.687 48 HD2 ARG 30 HD2 ARG 30 74.476 -8.649 3.414 49 HD3 ARG 30 HD3 ARG 30 74.795 -9.109 5.083 50 HE ARG 30 HE ARG 30 73.876 -11.413 3.943 51 HH11 ARG 30 HH11 ARG 30 76.463 -9.197 3.093 52 HH12 ARG 30 HH12 ARG 30 77.418 -10.439 2.354 53 HH21 ARG 30 HH21 ARG 30 75.150 -12.968 2.979 54 HH22 ARG 30 HH22 ARG 30 76.684 -12.547 2.291 55 H LYS 31 H LYS 31 71.007 -6.490 7.483 56 HA LYS 31 HA LYS 31 69.680 -4.037 6.674 57 HB2 LYS 31 HB2 LYS 31 69.411 -5.000 8.970 58 HB3 LYS 31 HB3 LYS 31 71.111 -4.630 9.270 59 HG2 LYS 31 HG2 LYS 31 70.707 -2.258 8.897 60 HG3 LYS 31 HG3 LYS 31 69.030 -2.581 8.461 61 HD2 LYS 31 HD2 LYS 31 69.046 -1.840 10.755 62 HD3 LYS 31 HD3 LYS 31 68.709 -3.571 10.761 63 HE2 LYS 31 HE2 LYS 31 70.395 -2.935 12.477 64 HE3 LYS 31 HE3 LYS 31 71.049 -4.058 11.286 65 HZ1 LYS 31 HZ1 LYS 31 71.327 -1.273 10.584 66 HZ2 LYS 31 HZ2 LYS 31 72.464 -2.533 10.508 67 HZ3 LYS 31 HZ3 LYS 31 72.185 -1.723 11.976 68 H VAL 32 H VAL 32 70.602 -2.126 6.201 69 HA VAL 32 HA VAL 32 73.527 -1.853 6.501 70 HB VAL 32 HB VAL 32 71.980 -1.244 3.970 71 HG11 VAL 32 HG11 VAL 32 73.879 0.308 4.400 72 HG12 VAL 32 HG12 VAL 32 74.189 -0.742 3.018 73 HG13 VAL 32 HG13 VAL 32 74.953 -1.081 4.570 74 HG21 VAL 32 HG21 VAL 32 72.257 -3.609 4.116 75 HG22 VAL 32 HG22 VAL 32 73.884 -3.453 4.777 76 HG23 VAL 32 HG23 VAL 32 73.577 -3.053 3.088 77 H ASP 33 H ASP 33 74.207 0.066 7.157 78 HA ASP 33 HA ASP 33 72.343 2.165 7.803 79 HB2 ASP 33 HB2 ASP 33 74.332 1.605 9.208 80 HB3 ASP 33 HB3 ASP 33 75.367 2.205 7.913 81 H TYR 34 H TYR 34 72.308 4.273 6.944 82 HA TYR 34 HA TYR 34 72.409 4.491 4.167 83 HB2 TYR 34 HB2 TYR 34 71.103 5.995 5.544 84 HB3 TYR 34 HB3 TYR 34 72.552 6.628 6.294 85 HD1 TYR 34 HD1 TYR 34 71.982 5.947 2.664 86 HD2 TYR 34 HD2 TYR 34 72.431 8.917 5.734 87 HE1 TYR 34 HE1 TYR 34 72.102 7.721 0.936 88 HE2 TYR 34 HE2 TYR 34 72.535 10.691 4.003 89 HH TYR 34 HH TYR 34 72.505 11.094 1.786 90 H SER 35 H SER 35 74.883 5.303 6.578 91 HA SER 35 HA SER 35 76.659 6.675 4.892 92 HB2 SER 35 HB2 SER 35 77.364 4.878 7.223 93 HB3 SER 35 HB3 SER 35 78.371 6.150 6.539 94 HG SER 35 HG SER 35 77.325 7.259 7.994 95 H THR 36 H THR 36 76.291 3.214 5.562 96 HA THR 36 HA THR 36 78.629 2.389 4.156 97 HB THR 36 HB THR 36 76.118 0.788 4.705 98 HG1 THR 36 HG1 THR 36 76.799 1.221 6.644 99 HG21 THR 36 HG21 THR 36 78.992 -0.007 4.160 100 HG22 THR 36 HG22 THR 36 77.619 -0.262 3.082 101 HG23 THR 36 HG23 THR 36 77.706 -1.124 4.619 102 H PHE 37 H PHE 37 75.221 2.727 3.219 103 HA PHE 37 HA PHE 37 75.409 1.647 0.651 104 HB2 PHE 37 HB2 PHE 37 73.272 2.177 1.637 105 HB3 PHE 37 HB3 PHE 37 73.672 3.881 1.699 106 HD1 PHE 37 HD2 PHE 37 72.636 1.082 -0.471 107 HD2 PHE 37 HD1 PHE 37 73.589 5.267 -0.298 108 HE1 PHE 37 HE2 PHE 37 71.650 1.405 -2.725 109 HE2 PHE 37 HE1 PHE 37 72.605 5.587 -2.550 110 HZ PHE 37 HZ PHE 37 71.631 3.655 -3.763 111 H LEU 38 H LEU 38 76.026 4.993 1.737 112 HA LEU 38 HA LEU 38 76.398 6.098 -0.817 113 HB2 LEU 38 HB2 LEU 38 77.670 6.913 1.808 114 HB3 LEU 38 HB3 LEU 38 77.617 7.903 0.349 115 HG LEU 38 HG LEU 38 75.157 6.826 1.755 116 HD11 LEU 38 HD11 LEU 38 74.934 9.391 2.248 117 HD12 LEU 38 HD12 LEU 38 76.682 9.404 2.020 118 HD13 LEU 38 HD13 LEU 38 75.965 8.403 3.282 119 HD21 LEU 38 HD21 LEU 38 75.640 8.714 -0.557 120 HD22 LEU 38 HD22 LEU 38 74.119 8.706 0.336 121 HD23 LEU 38 HD23 LEU 38 74.642 7.261 -0.529 122 H GLN 39 H GLN 39 78.702 4.538 1.382 123 HA GLN 39 HA GLN 39 81.026 5.060 -0.138 124 HB2 GLN 39 HB2 GLN 39 81.017 4.192 2.205 125 HB3 GLN 39 HB3 GLN 39 80.485 2.629 1.585 126 HG2 GLN 39 HG2 GLN 39 82.517 2.600 0.106 127 HG3 GLN 39 HG3 GLN 39 83.073 4.058 0.926 128 HE21 GLN 39 HE21 GLN 39 84.593 3.536 2.494 129 HE22 GLN 39 HE22 GLN 39 84.541 2.157 3.483 130 H GLU 40 H GLU 40 78.750 2.332 -0.224 131 HA GLU 40 HA GLU 40 80.140 0.802 -2.131 132 HB2 GLU 40 HB2 GLU 40 77.179 0.927 -1.536 133 HB3 GLU 40 HB3 GLU 40 77.955 -0.315 -2.520 134 HG2 GLU 40 HG2 GLU 40 79.428 -0.877 -0.589 135 HG3 GLU 40 HG3 GLU 40 78.555 0.296 0.387 136 H VAL 41 H VAL 41 77.669 3.315 -2.526 137 HA VAL 41 HA VAL 41 77.343 3.163 -5.292 138 HB VAL 41 HB VAL 41 77.269 5.611 -3.505 139 HG11 VAL 41 HG11 VAL 41 75.721 6.481 -5.292 140 HG12 VAL 41 HG12 VAL 41 76.198 5.112 -6.297 141 HG13 VAL 41 HG13 VAL 41 77.397 6.313 -5.817 142 HG21 VAL 41 HG21 VAL 41 75.736 3.524 -3.079 143 HG22 VAL 41 HG22 VAL 41 74.895 4.068 -4.527 144 HG23 VAL 41 HG23 VAL 41 75.007 5.128 -3.122 145 H ASN 42 H ASN 42 79.684 5.076 -3.394 146 HA ASN 42 HA ASN 42 81.047 6.267 -5.532 147 HB2 ASN 42 HB2 ASN 42 82.067 5.398 -2.821 148 HB3 ASN 42 HB3 ASN 42 82.954 6.439 -3.935 149 HD21 ASN 42 HD21 ASN 42 81.102 6.673 -1.227 150 HD22 ASN 42 HD22 ASN 42 80.370 8.180 -1.501 151 H ASN 43 H ASN 43 81.319 3.040 -4.175 152 HA ASN 43 HA ASN 43 83.671 2.395 -5.758 153 HB2 ASN 43 HB2 ASN 43 81.938 0.692 -3.959 154 HB3 ASN 43 HB3 ASN 43 83.417 0.142 -4.745 155 HD21 ASN 43 HD21 ASN 43 82.845 0.506 -1.796 156 HD22 ASN 43 HD22 ASN 43 84.050 1.567 -1.244 157 H ASP 44 H ASP 44 80.637 2.800 -6.802 158 HA ASP 44 HA ASP 44 79.333 1.937 -8.474 159 HB2 ASP 44 HB2 ASP 44 81.546 2.562 -9.592 160 HB3 ASP 44 HB3 ASP 44 81.907 0.836 -9.587 161 H GLN 45 H GLN 45 79.659 0.192 -6.165 162 HA GLN 45 HA GLN 45 79.666 -2.481 -7.345 163 HB2 GLN 45 HB2 GLN 45 79.337 -1.589 -4.472 164 HB3 GLN 45 HB3 GLN 45 79.383 -3.266 -5.013 165 HG2 GLN 45 HG2 GLN 45 81.590 -1.231 -5.434 166 HG3 GLN 45 HG3 GLN 45 81.600 -2.506 -4.220 167 HE21 GLN 45 HE21 GLN 45 82.865 -1.813 -7.187 168 HE22 GLN 45 HE22 GLN 45 83.006 -3.384 -7.816 169 H VAL 46 H VAL 46 77.340 -0.071 -6.397 170 HA VAL 46 HA VAL 46 75.161 -1.961 -6.091 171 HB VAL 46 HB VAL 46 75.082 1.060 -6.354 172 HG11 VAL 46 HG11 VAL 46 73.055 -1.021 -5.502 173 HG12 VAL 46 HG12 VAL 46 72.906 0.164 -6.800 174 HG13 VAL 46 HG13 VAL 46 72.881 0.691 -5.118 175 HG21 VAL 46 HG21 VAL 46 74.911 1.051 -3.896 176 HG22 VAL 46 HG22 VAL 46 76.422 0.301 -4.410 177 HG23 VAL 46 HG23 VAL 46 75.073 -0.706 -3.883 178 H ARG 47 H ARG 47 73.641 -2.502 -7.601 179 HA ARG 47 HA ARG 47 74.157 -1.585 -10.358 180 HB2 ARG 47 HB2 ARG 47 74.263 -4.027 -9.885 181 HB3 ARG 47 HB3 ARG 47 72.572 -3.974 -9.388 182 HG2 ARG 47 HG2 ARG 47 71.961 -3.112 -11.638 183 HG3 ARG 47 HG3 ARG 47 73.649 -3.256 -12.131 184 HD2 ARG 47 HD2 ARG 47 73.559 -5.690 -11.583 185 HD3 ARG 47 HD3 ARG 47 71.843 -5.516 -11.228 186 HE ARG 47 HE ARG 47 71.425 -5.434 -13.505 187 HH11 ARG 47 HH11 ARG 47 74.866 -4.955 -13.001 188 HH12 ARG 47 HH12 ARG 47 75.229 -5.054 -14.692 189 HH21 ARG 47 HH21 ARG 47 71.953 -5.550 -15.668 190 HH22 ARG 47 HH22 ARG 47 73.599 -5.386 -16.183 191 H GLU 48 H GLU 48 71.512 -2.257 -8.078 192 HA GLU 48 HA GLU 48 69.816 -0.326 -9.545 193 HB2 GLU 48 HB2 GLU 48 69.229 -2.668 -10.176 194 HB3 GLU 48 HB3 GLU 48 68.890 -3.004 -8.478 195 HG2 GLU 48 HG2 GLU 48 67.209 -1.178 -8.478 196 HG3 GLU 48 HG3 GLU 48 67.504 -0.923 -10.192 197 H ALA 49 H ALA 49 68.623 1.014 -8.287 198 HA ALA 49 HA ALA 49 68.329 0.367 -5.420 199 HB1 ALA 49 HB1 ALA 49 70.179 2.035 -5.804 200 HB2 ALA 49 HB2 ALA 49 68.866 2.621 -4.783 201 HB3 ALA 49 HB3 ALA 49 68.967 3.131 -6.468 202 H ARG 50 H ARG 50 66.245 0.170 -5.037 203 HA ARG 50 HA ARG 50 64.277 1.773 -6.514 204 HB2 ARG 50 HB2 ARG 50 64.008 -0.531 -4.566 205 HB3 ARG 50 HB3 ARG 50 62.639 0.310 -5.285 206 HG2 ARG 50 HG2 ARG 50 63.482 -0.285 -7.544 207 HG3 ARG 50 HG3 ARG 50 64.817 -1.163 -6.798 208 HD2 ARG 50 HD2 ARG 50 63.111 -2.778 -7.326 209 HD3 ARG 50 HD3 ARG 50 63.109 -2.560 -5.578 210 HE ARG 50 HE ARG 50 61.264 -0.803 -6.912 211 HH11 ARG 50 HH11 ARG 50 61.628 -4.068 -5.675 212 HH12 ARG 50 HH12 ARG 50 59.921 -4.290 -5.478 213 HH21 ARG 50 HH21 ARG 50 59.079 -1.147 -6.636 214 HH22 ARG 50 HH22 ARG 50 58.497 -2.656 -6.016 215 H ILE 51 H ILE 51 63.185 3.446 -5.584 216 HA ILE 51 HA ILE 51 63.736 4.036 -2.741 217 HB ILE 51 HB ILE 51 62.839 5.879 -4.972 218 HG12 ILE 51 HG12 ILE 51 65.530 5.676 -3.588 219 HG13 ILE 51 HG13 ILE 51 65.181 4.976 -5.169 220 HG21 ILE 51 HG21 ILE 51 63.735 6.462 -2.131 221 HG22 ILE 51 HG22 ILE 51 62.087 6.617 -2.744 222 HG23 ILE 51 HG23 ILE 51 63.359 7.675 -3.356 223 HD11 ILE 51 HD11 ILE 51 65.262 7.886 -4.382 224 HD12 ILE 51 HD12 ILE 51 64.386 7.356 -5.818 225 HD13 ILE 51 HD13 ILE 51 66.123 7.076 -5.691 226 H ASN 52 H ASN 52 62.134 3.786 -1.339 227 HA ASN 52 HA ASN 52 59.367 4.339 -2.155 228 HB2 ASN 52 HB2 ASN 52 59.803 1.849 -2.224 229 HB3 ASN 52 HB3 ASN 52 60.143 1.928 -0.496 230 HD21 ASN 52 HD21 ASN 52 58.355 1.593 0.826 231 HD22 ASN 52 HD22 ASN 52 56.740 1.817 0.353 232 H GLY 53 H GLY 53 59.294 6.225 -0.969 233 HA2 GLY 53 HA2 GLY 53 59.088 7.564 0.893 234 HA3 GLY 53 HA3 GLY 53 58.802 6.082 1.801 235 H ARG 54 H ARG 54 60.108 6.056 3.504 236 HA ARG 54 HA ARG 54 62.655 7.415 3.546 237 HB2 ARG 54 HB2 ARG 54 61.093 7.196 5.525 238 HB3 ARG 54 HB3 ARG 54 61.556 5.497 5.601 239 HG2 ARG 54 HG2 ARG 54 63.929 6.166 5.850 240 HG3 ARG 54 HG3 ARG 54 63.437 7.861 5.836 241 HD2 ARG 54 HD2 ARG 54 61.974 7.391 7.814 242 HD3 ARG 54 HD3 ARG 54 62.625 5.758 7.857 243 HE ARG 54 HE ARG 54 64.682 6.613 8.603 244 HH11 ARG 54 HH11 ARG 54 62.481 9.260 7.885 245 HH12 ARG 54 HH12 ARG 54 63.421 10.407 8.775 246 HH21 ARG 54 HH21 ARG 54 65.842 8.142 9.731 247 HH22 ARG 54 HH22 ARG 54 65.299 9.785 9.801 248 H GLU 55 H GLU 55 61.662 4.220 2.645 249 HA GLU 55 HA GLU 55 64.284 3.095 3.386 250 HB2 GLU 55 HB2 GLU 55 61.705 1.739 2.571 251 HB3 GLU 55 HB3 GLU 55 63.199 0.909 3.009 252 HG2 GLU 55 HG2 GLU 55 63.131 2.024 5.233 253 HG3 GLU 55 HG3 GLU 55 61.595 2.759 4.794 254 H ILE 56 H ILE 56 65.675 2.324 1.887 255 HA ILE 56 HA ILE 56 64.817 2.294 -0.952 256 HB ILE 56 HB ILE 56 67.615 2.727 0.140 257 HG12 ILE 56 HG12 ILE 56 65.759 4.710 -1.209 258 HG13 ILE 56 HG13 ILE 56 66.016 4.631 0.534 259 HG21 ILE 56 HG21 ILE 56 66.581 3.108 -2.678 260 HG22 ILE 56 HG22 ILE 56 67.331 1.605 -2.140 261 HG23 ILE 56 HG23 ILE 56 68.257 3.104 -2.135 262 HD11 ILE 56 HD11 ILE 56 68.404 5.072 0.236 263 HD12 ILE 56 HD12 ILE 56 67.464 6.342 -0.547 264 HD13 ILE 56 HD13 ILE 56 68.209 5.074 -1.516 265 H ASN 57 H ASN 57 64.910 0.335 -1.920 266 HA ASN 57 HA ASN 57 66.285 -1.857 -0.479 267 HB2 ASN 57 HB2 ASN 57 64.066 -1.840 -2.534 268 HB3 ASN 57 HB3 ASN 57 64.943 -3.307 -2.103 269 HD21 ASN 57 HD21 ASN 57 62.332 -1.277 -1.179 270 HD22 ASN 57 HD22 ASN 57 62.052 -1.959 0.351 271 H VAL 58 H VAL 58 68.054 -2.808 -1.390 272 HA VAL 58 HA VAL 58 68.938 -1.684 -3.989 273 HB VAL 58 HB VAL 58 70.648 -2.155 -1.542 274 HG11 VAL 58 HG11 VAL 58 72.076 -2.335 -3.397 275 HG12 VAL 58 HG12 VAL 58 72.190 -0.623 -2.992 276 HG13 VAL 58 HG13 VAL 58 71.168 -1.145 -4.330 277 HG21 VAL 58 HG21 VAL 58 69.003 -0.223 -1.356 278 HG22 VAL 58 HG22 VAL 58 69.820 0.502 -2.740 279 HG23 VAL 58 HG23 VAL 58 70.701 0.229 -1.237 280 H THR 59 H THR 59 69.812 -3.054 -5.399 281 HA THR 59 HA THR 59 70.541 -5.779 -4.482 282 HB THR 59 HB THR 59 69.697 -4.887 -7.255 283 HG1 THR 59 HG1 THR 59 67.799 -5.788 -6.720 284 HG21 THR 59 HG21 THR 59 69.417 -7.514 -7.339 285 HG22 THR 59 HG22 THR 59 70.623 -7.472 -6.053 286 HG23 THR 59 HG23 THR 59 70.991 -6.776 -7.632 287 H LYS 60 H LYS 60 72.651 -6.204 -4.538 288 HA LYS 60 HA LYS 60 74.486 -4.379 -5.849 289 HB2 LYS 60 HB2 LYS 60 74.928 -6.843 -4.154 290 HB3 LYS 60 HB3 LYS 60 76.218 -5.812 -4.775 291 HG2 LYS 60 HG2 LYS 60 75.344 -3.895 -3.567 292 HG3 LYS 60 HG3 LYS 60 73.938 -4.821 -3.042 293 HD2 LYS 60 HD2 LYS 60 75.503 -4.791 -1.208 294 HD3 LYS 60 HD3 LYS 60 75.519 -6.417 -1.892 295 HE2 LYS 60 HE2 LYS 60 77.467 -4.402 -2.958 296 HE3 LYS 60 HE3 LYS 60 77.789 -5.140 -1.389 297 HZ1 LYS 60 HZ1 LYS 60 76.951 -7.097 -3.257 298 HZ2 LYS 60 HZ2 LYS 60 78.397 -7.011 -2.371 299 HZ3 LYS 60 HZ3 LYS 60 78.274 -6.233 -3.876 300 H LYS 61 H LYS 61 76.157 -5.096 -7.315 301 HA LYS 61 HA LYS 61 75.310 -6.627 -9.479 302 HB2 LYS 61 HB2 LYS 61 78.124 -6.043 -8.536 303 HB3 LYS 61 HB3 LYS 61 77.717 -6.709 -10.119 304 HG2 LYS 61 HG2 LYS 61 76.278 -4.716 -10.547 305 HG3 LYS 61 HG3 LYS 61 76.814 -4.036 -9.009 306 HD2 LYS 61 HD2 LYS 61 79.173 -4.169 -9.821 307 HD3 LYS 61 HD3 LYS 61 78.569 -4.716 -11.386 308 HE2 LYS 61 HE2 LYS 61 77.097 -2.575 -11.319 309 HE3 LYS 61 HE3 LYS 61 78.218 -2.028 -10.073 310 HZ1 LYS 61 HZ1 LYS 61 78.577 -1.880 -12.794 311 HZ2 LYS 61 HZ2 LYS 61 79.608 -3.132 -12.289 312 HZ3 LYS 61 HZ3 LYS 61 79.744 -1.586 -11.598 313 H ASP 62 H ASP 62 76.834 -7.687 -6.492 314 HA ASP 62 HA ASP 62 77.533 -10.294 -7.524 315 HB2 ASP 62 HB2 ASP 62 78.805 -9.078 -5.733 316 HB3 ASP 62 HB3 ASP 62 77.455 -9.396 -4.645 317 H SER 63 H SER 63 74.554 -9.256 -7.186 318 HA SER 63 HA SER 63 72.559 -10.348 -7.038 319 HB2 SER 63 HB2 SER 63 73.904 -12.352 -7.857 320 HB3 SER 63 HB3 SER 63 73.985 -12.852 -6.172 321 HG SER 63 HG SER 63 72.081 -13.608 -6.585 322 H ASN 64 H ASN 64 74.612 -9.884 -4.399 323 HA ASN 64 HA ASN 64 72.925 -10.967 -2.349 324 HB2 ASN 64 HB2 ASN 64 75.068 -8.832 -2.254 325 HB3 ASN 64 HB3 ASN 64 74.294 -9.542 -0.840 326 HD21 ASN 64 HD21 ASN 64 77.142 -9.761 -1.411 327 HD22 ASN 64 HD22 ASN 64 77.479 -11.405 -1.661 328 H ARG 65 H ARG 65 71.248 -9.997 -1.260 329 HA ARG 65 HA ARG 65 70.410 -7.324 -2.237 330 HB2 ARG 65 HB2 ARG 65 68.761 -9.605 -1.124 331 HB3 ARG 65 HB3 ARG 65 68.126 -8.027 -1.594 332 HG2 ARG 65 HG2 ARG 65 69.011 -8.394 -3.895 333 HG3 ARG 65 HG3 ARG 65 69.526 -10.011 -3.411 334 HD2 ARG 65 HD2 ARG 65 67.137 -10.488 -2.762 335 HD3 ARG 65 HD3 ARG 65 66.693 -8.944 -3.482 336 HE ARG 65 HE ARG 65 68.138 -10.325 -5.414 337 HH11 ARG 65 HH11 ARG 65 65.130 -10.815 -3.671 338 HH12 ARG 65 HH12 ARG 65 64.414 -11.722 -4.961 339 HH21 ARG 65 HH21 ARG 65 67.164 -11.500 -7.040 340 HH22 ARG 65 HH22 ARG 65 65.553 -12.104 -6.845 341 H TYR 66 H TYR 66 69.822 -5.752 -0.798 342 HA TYR 66 HA TYR 66 69.626 -6.364 2.035 343 HB2 TYR 66 HB2 TYR 66 71.380 -4.947 2.766 344 HB3 TYR 66 HB3 TYR 66 72.055 -6.048 1.589 345 HD1 TYR 66 HD1 TYR 66 70.991 -2.560 2.213 346 HD2 TYR 66 HD2 TYR 66 73.012 -5.240 -0.468 347 HE1 TYR 66 HE1 TYR 66 71.927 -0.622 0.982 348 HE2 TYR 66 HE2 TYR 66 73.944 -3.301 -1.701 349 HH TYR 66 HH TYR 66 74.414 -0.823 -1.092 350 H THR 67 H THR 67 69.027 -4.435 3.318 351 HA THR 67 HA THR 67 67.586 -2.411 1.708 352 HB THR 67 HB THR 67 66.606 -3.611 4.308 353 HG1 THR 67 HG1 THR 67 65.231 -4.733 2.986 354 HG21 THR 67 HG21 THR 67 64.718 -2.280 4.043 355 HG22 THR 67 HG22 THR 67 64.946 -2.123 2.302 356 HG23 THR 67 HG23 THR 67 65.970 -1.211 3.411 357 H THR 68 H THR 68 67.826 -0.334 2.354 358 HA THR 68 HA THR 68 69.282 0.162 4.892 359 HB THR 68 HB THR 68 70.818 0.379 2.992 360 HG1 THR 68 HG1 THR 68 70.083 2.841 4.054 361 HG21 THR 68 HG21 THR 68 68.988 0.993 1.343 362 HG22 THR 68 HG22 THR 68 70.460 1.955 1.225 363 HG23 THR 68 HG23 THR 68 69.035 2.621 2.022 364 H TYR 69 H TYR 69 68.745 2.000 6.031 365 HA TYR 69 HA TYR 69 66.234 3.314 5.201 366 HB2 TYR 69 HB2 TYR 69 67.601 3.278 7.895 367 HB3 TYR 69 HB3 TYR 69 66.037 3.986 7.541 368 HD1 TYR 69 HD2 TYR 69 64.068 2.575 7.185 369 HD2 TYR 69 HD1 TYR 69 67.914 0.869 8.049 370 HE1 TYR 69 HE2 TYR 69 62.990 0.397 7.684 371 HE2 TYR 69 HE1 TYR 69 66.837 -1.308 8.549 372 HH TYR 69 HH TYR 69 64.859 -2.455 8.309 373 H ILE 70 H ILE 70 66.105 5.558 4.995 374 HA ILE 70 HA ILE 70 68.691 6.915 4.789 375 HB ILE 70 HB ILE 70 66.003 8.037 4.009 376 HG12 ILE 70 HG12 ILE 70 67.983 6.615 2.201 377 HG13 ILE 70 HG13 ILE 70 66.511 5.858 2.815 378 HG21 ILE 70 HG21 ILE 70 68.140 9.455 4.322 379 HG22 ILE 70 HG22 ILE 70 67.271 9.621 2.795 380 HG23 ILE 70 HG23 ILE 70 68.734 8.636 2.878 381 HD11 ILE 70 HD11 ILE 70 65.327 7.992 1.863 382 HD12 ILE 70 HD12 ILE 70 65.794 6.705 0.753 383 HD13 ILE 70 HD13 ILE 70 66.790 8.152 0.892 384 HA PRO 71 HA PRO 71 67.531 8.636 8.895 385 HB2 PRO 71 HB2 PRO 71 69.765 10.334 9.059 386 HB3 PRO 71 HB3 PRO 71 69.636 8.699 9.727 387 HG2 PRO 71 HG2 PRO 71 70.933 9.623 7.241 388 HG3 PRO 71 HG3 PRO 71 71.361 8.283 8.318 389 HD2 PRO 71 HD2 PRO 71 70.172 7.879 5.911 390 HD3 PRO 71 HD3 PRO 71 69.888 6.807 7.292 391 H VAL 72 H VAL 72 68.803 10.674 6.249 392 HA VAL 72 HA VAL 72 66.492 12.440 6.594 393 HB VAL 72 HB VAL 72 67.929 14.445 6.360 394 HG11 VAL 72 HG11 VAL 72 67.233 13.705 8.598 395 HG12 VAL 72 HG12 VAL 72 68.861 14.380 8.657 396 HG13 VAL 72 HG13 VAL 72 68.629 12.631 8.689 397 HG21 VAL 72 HG21 VAL 72 69.837 13.292 5.250 398 HG22 VAL 72 HG22 VAL 72 70.203 12.475 6.770 399 HG23 VAL 72 HG23 VAL 72 70.356 14.227 6.652 400 H GLN 73 H GLN 73 65.891 13.543 4.670 401 HA GLN 73 HA GLN 73 66.362 12.084 2.291 402 HB2 GLN 73 HB2 GLN 73 65.197 14.846 2.710 403 HB3 GLN 73 HB3 GLN 73 65.155 13.965 1.181 404 HG2 GLN 73 HG2 GLN 73 63.892 12.151 2.223 405 HG3 GLN 73 HG3 GLN 73 63.993 12.950 3.789 406 HE21 GLN 73 HE21 GLN 73 61.470 12.330 2.580 407 HE22 GLN 73 HE22 GLN 73 60.700 13.789 2.179 408 H ASP 74 H ASP 74 67.950 12.201 0.845 409 HA ASP 74 HA ASP 74 69.744 14.562 0.885 410 HB2 ASP 74 HB2 ASP 74 70.517 12.135 1.629 411 HB3 ASP 74 HB3 ASP 74 70.678 11.902 -0.107 412 HA PRO 75 HA PRO 75 67.693 14.480 -3.284 413 HB2 PRO 75 HB2 PRO 75 68.809 17.248 -3.283 414 HB3 PRO 75 HB3 PRO 75 67.190 16.683 -3.744 415 HG2 PRO 75 HG2 PRO 75 67.537 17.955 -1.469 416 HG3 PRO 75 HG3 PRO 75 66.470 16.537 -1.546 417 HD2 PRO 75 HD2 PRO 75 69.283 16.708 -0.488 418 HD3 PRO 75 HD3 PRO 75 67.880 15.844 0.187 419 H LYS 76 H LYS 76 70.909 15.488 -2.295 420 HA LYS 76 HA LYS 76 72.091 15.676 -4.871 421 HB2 LYS 76 HB2 LYS 76 73.098 16.593 -2.779 422 HB3 LYS 76 HB3 LYS 76 73.431 14.944 -2.258 423 HG2 LYS 76 HG2 LYS 76 75.450 15.692 -3.261 424 HG3 LYS 76 HG3 LYS 76 74.695 14.665 -4.478 425 HD2 LYS 76 HD2 LYS 76 73.797 16.628 -5.629 426 HD3 LYS 76 HD3 LYS 76 74.452 17.685 -4.378 427 HE2 LYS 76 HE2 LYS 76 76.731 16.528 -4.990 428 HE3 LYS 76 HE3 LYS 76 75.907 16.135 -6.498 429 HZ1 LYS 76 HZ1 LYS 76 75.935 18.881 -5.401 430 HZ2 LYS 76 HZ2 LYS 76 75.580 18.381 -6.985 431 HZ3 LYS 76 HZ3 LYS 76 77.176 18.311 -6.407 432 H LEU 77 H LEU 77 71.393 12.943 -2.783 433 HA LEU 77 HA LEU 77 73.240 11.095 -3.793 434 HB2 LEU 77 HB2 LEU 77 71.819 10.745 -1.778 435 HB3 LEU 77 HB3 LEU 77 70.426 10.520 -2.836 436 HG LEU 77 HG LEU 77 71.705 8.664 -3.979 437 HD11 LEU 77 HD11 LEU 77 73.633 9.405 -1.800 438 HD12 LEU 77 HD12 LEU 77 73.960 8.995 -3.484 439 HD13 LEU 77 HD13 LEU 77 73.536 7.727 -2.333 440 HD21 LEU 77 HD21 LEU 77 71.126 8.426 -1.010 441 HD22 LEU 77 HD22 LEU 77 71.369 7.050 -2.086 442 HD23 LEU 77 HD23 LEU 77 69.995 8.128 -2.331 443 H LEU 78 H LEU 78 70.072 12.091 -5.016 444 HA LEU 78 HA LEU 78 69.707 10.033 -6.905 445 HB2 LEU 78 HB2 LEU 78 68.809 12.921 -7.074 446 HB3 LEU 78 HB3 LEU 78 68.158 11.579 -8.015 447 HG LEU 78 HG LEU 78 68.108 11.742 -4.987 448 HD11 LEU 78 HD11 LEU 78 66.001 12.308 -7.089 449 HD12 LEU 78 HD12 LEU 78 66.609 13.414 -5.857 450 HD13 LEU 78 HD13 LEU 78 65.620 12.030 -5.390 451 HD21 LEU 78 HD21 LEU 78 66.331 9.894 -5.451 452 HD22 LEU 78 HD22 LEU 78 68.035 9.453 -5.560 453 HD23 LEU 78 HD23 LEU 78 67.108 9.758 -7.029 454 H ASP 79 H ASP 79 71.261 13.218 -7.194 455 HA ASP 79 HA ASP 79 71.833 13.070 -9.947 456 HB2 ASP 79 HB2 ASP 79 73.291 14.535 -7.735 457 HB3 ASP 79 HB3 ASP 79 73.565 14.793 -9.456 458 H ASN 80 H ASN 80 73.694 12.021 -7.119 459 HA ASN 80 HA ASN 80 76.061 11.317 -8.449 460 HB2 ASN 80 HB2 ASN 80 75.619 11.423 -5.933 461 HB3 ASN 80 HB3 ASN 80 74.924 9.811 -6.094 462 HD21 ASN 80 HD21 ASN 80 76.449 8.279 -5.486 463 HD22 ASN 80 HD22 ASN 80 78.102 8.348 -5.861 464 H LEU 81 H LEU 81 73.208 9.307 -7.683 465 HA LEU 81 HA LEU 81 74.182 6.901 -8.752 466 HB2 LEU 81 HB2 LEU 81 71.319 7.879 -8.613 467 HB3 LEU 81 HB3 LEU 81 71.824 6.208 -8.860 468 HG LEU 81 HG LEU 81 72.557 7.872 -6.434 469 HD11 LEU 81 HD11 LEU 81 70.521 5.639 -6.693 470 HD12 LEU 81 HD12 LEU 81 70.112 7.351 -6.603 471 HD13 LEU 81 HD13 LEU 81 70.892 6.558 -5.235 472 HD21 LEU 81 HD21 LEU 81 74.193 6.158 -6.779 473 HD22 LEU 81 HD22 LEU 81 72.960 4.975 -7.216 474 HD23 LEU 81 HD23 LEU 81 73.094 5.535 -5.548 475 H LEU 82 H LEU 82 72.575 9.635 -10.332 476 HA LEU 82 HA LEU 82 72.166 8.278 -12.813 477 HB2 LEU 82 HB2 LEU 82 72.408 11.246 -12.238 478 HB3 LEU 82 HB3 LEU 82 71.836 10.549 -13.754 479 HG LEU 82 HG LEU 82 70.553 10.036 -11.056 480 HD11 LEU 82 HD11 LEU 82 69.779 11.916 -13.307 481 HD12 LEU 82 HD12 LEU 82 70.253 12.376 -11.672 482 HD13 LEU 82 HD13 LEU 82 68.737 11.515 -11.942 483 HD21 LEU 82 HD21 LEU 82 68.656 9.360 -12.724 484 HD22 LEU 82 HD22 LEU 82 69.980 8.230 -12.446 485 HD23 LEU 82 HD23 LEU 82 69.965 9.230 -13.898 486 H THR 83 H THR 83 74.779 10.412 -11.651 487 HA THR 83 HA THR 83 76.274 10.448 -14.020 488 HB THR 83 HB THR 83 77.364 10.480 -11.198 489 HG1 THR 83 HG1 THR 83 76.781 12.524 -11.193 490 HG21 THR 83 HG21 THR 83 79.134 11.872 -12.243 491 HG22 THR 83 HG22 THR 83 78.389 11.606 -13.819 492 HG23 THR 83 HG23 THR 83 79.082 10.249 -12.931 493 H LYS 84 H LYS 84 76.070 8.001 -11.499 494 HA LYS 84 HA LYS 84 78.296 6.480 -12.564 495 HB2 LYS 84 HB2 LYS 84 76.316 5.874 -10.365 496 HB3 LYS 84 HB3 LYS 84 77.657 4.817 -10.815 497 HG2 LYS 84 HG2 LYS 84 79.235 6.705 -10.405 498 HG3 LYS 84 HG3 LYS 84 77.878 7.679 -9.843 499 HD2 LYS 84 HD2 LYS 84 77.407 5.953 -8.103 500 HD3 LYS 84 HD3 LYS 84 78.852 5.082 -8.621 501 HE2 LYS 84 HE2 LYS 84 78.823 7.946 -7.625 502 HE3 LYS 84 HE3 LYS 84 79.301 6.547 -6.663 503 HZ1 LYS 84 HZ1 LYS 84 80.603 7.553 -9.132 504 HZ2 LYS 84 HZ2 LYS 84 80.992 6.075 -8.393 505 HZ3 LYS 84 HZ3 LYS 84 81.253 7.535 -7.566 506 H ASN 85 H ASN 85 75.226 6.831 -13.727 507 HA ASN 85 HA ASN 85 73.883 5.598 -15.096 508 HB2 ASN 85 HB2 ASN 85 76.304 3.807 -15.412 509 HB3 ASN 85 HB3 ASN 85 74.923 3.919 -16.498 510 HD21 ASN 85 HD21 ASN 85 74.579 6.718 -16.658 511 HD22 ASN 85 HD22 ASN 85 75.956 7.405 -17.373 512 H VAL 86 H VAL 86 73.685 5.110 -12.339 513 HA VAL 86 HA VAL 86 73.286 2.214 -12.103 514 HB VAL 86 HB VAL 86 72.857 4.412 -10.059 515 HG11 VAL 86 HG11 VAL 86 72.925 2.507 -8.455 516 HG12 VAL 86 HG12 VAL 86 72.995 1.390 -9.819 517 HG13 VAL 86 HG13 VAL 86 71.564 2.390 -9.571 518 HG21 VAL 86 HG21 VAL 86 75.233 4.139 -10.850 519 HG22 VAL 86 HG22 VAL 86 75.161 2.456 -10.329 520 HG23 VAL 86 HG23 VAL 86 75.007 3.754 -9.143 521 H LYS 87 H LYS 87 71.253 1.267 -11.937 522 HA LYS 87 HA LYS 87 69.118 2.674 -13.230 523 HB2 LYS 87 HB2 LYS 87 69.486 0.209 -13.431 524 HB3 LYS 87 HB3 LYS 87 69.012 0.038 -11.741 525 HG2 LYS 87 HG2 LYS 87 67.031 -0.398 -12.978 526 HG3 LYS 87 HG3 LYS 87 66.845 1.255 -12.394 527 HD2 LYS 87 HD2 LYS 87 67.585 2.136 -14.552 528 HD3 LYS 87 HD3 LYS 87 67.878 0.500 -15.143 529 HE2 LYS 87 HE2 LYS 87 65.744 1.052 -16.003 530 HE3 LYS 87 HE3 LYS 87 65.399 0.055 -14.591 531 HZ1 LYS 87 HZ1 LYS 87 64.017 2.000 -14.554 532 HZ2 LYS 87 HZ2 LYS 87 65.366 3.021 -14.711 533 HZ3 LYS 87 HZ3 LYS 87 65.147 2.110 -13.294 534 H VAL 88 H VAL 88 67.398 3.718 -12.359 535 HA VAL 88 HA VAL 88 67.101 3.663 -9.411 536 HB VAL 88 HB VAL 88 66.891 6.125 -11.167 537 HG11 VAL 88 HG11 VAL 88 66.875 7.237 -8.870 538 HG12 VAL 88 HG12 VAL 88 66.597 5.632 -8.195 539 HG13 VAL 88 HG13 VAL 88 65.415 6.344 -9.293 540 HG21 VAL 88 HG21 VAL 88 69.202 5.733 -11.019 541 HG22 VAL 88 HG22 VAL 88 69.075 5.027 -9.407 542 HG23 VAL 88 HG23 VAL 88 68.903 6.770 -9.624 543 H VAL 89 H VAL 89 65.110 3.303 -8.725 544 HA VAL 89 HA VAL 89 62.860 3.600 -10.643 545 HB VAL 89 HB VAL 89 63.056 1.586 -8.392 546 HG11 VAL 89 HG11 VAL 89 61.117 0.575 -9.604 547 HG12 VAL 89 HG12 VAL 89 61.119 1.964 -10.692 548 HG13 VAL 89 HG13 VAL 89 60.774 2.187 -8.977 549 HG21 VAL 89 HG21 VAL 89 64.627 0.741 -9.898 550 HG22 VAL 89 HG22 VAL 89 63.796 1.410 -11.302 551 HG23 VAL 89 HG23 VAL 89 63.143 -0.010 -10.483 552 H GLY 90 H GLY 90 61.195 4.857 -9.969 553 HA2 GLY 90 HA2 GLY 90 61.199 5.744 -7.140 554 HA3 GLY 90 HA3 GLY 90 60.552 6.673 -8.489 555 H GLU 91 H GLU 91 59.558 5.114 -5.863 556 HA GLU 91 HA GLU 91 56.900 4.733 -6.976 557 HB2 GLU 91 HB2 GLU 91 58.565 2.475 -5.904 558 HB3 GLU 91 HB3 GLU 91 56.812 2.451 -5.710 559 HG2 GLU 91 HG2 GLU 91 56.784 3.023 -8.265 560 HG3 GLU 91 HG3 GLU 91 58.433 2.397 -8.242 561 HA PRO 92 HA PRO 92 56.987 6.721 -2.790 562 HB2 PRO 92 HB2 PRO 92 54.327 7.646 -3.766 563 HB3 PRO 92 HB3 PRO 92 55.620 8.564 -2.973 564 HG2 PRO 92 HG2 PRO 92 55.140 8.806 -5.576 565 HG3 PRO 92 HG3 PRO 92 56.787 8.871 -4.922 566 HD2 PRO 92 HD2 PRO 92 55.444 6.652 -6.406 567 HD3 PRO 92 HD3 PRO 92 57.151 7.150 -6.417 568 HA PRO 93 HA PRO 93 54.696 3.460 -0.822 569 HB2 PRO 93 HB2 PRO 93 53.683 5.527 1.090 570 HB3 PRO 93 HB3 PRO 93 54.467 3.969 1.424 571 HG2 PRO 93 HG2 PRO 93 55.818 6.205 1.715 572 HG3 PRO 93 HG3 PRO 93 56.586 4.786 0.973 573 HD2 PRO 93 HD2 PRO 93 55.536 7.263 -0.359 574 HD3 PRO 93 HD3 PRO 93 56.991 6.310 -0.735 575 H GLU 94 H GLU 94 52.645 2.573 -0.873 576 HA GLU 94 HA GLU 94 50.555 4.232 -2.104 577 HB2 GLU 94 HB2 GLU 94 51.216 2.059 -3.163 578 HB3 GLU 94 HB3 GLU 94 50.613 1.229 -1.728 579 HG2 GLU 94 HG2 GLU 94 48.389 2.289 -2.088 580 HG3 GLU 94 HG3 GLU 94 48.999 3.017 -3.567 581 H GLU 95 H GLU 95 48.535 4.492 -1.205 582 HA GLU 95 HA GLU 95 48.200 3.545 1.585 583 HB2 GLU 95 HB2 GLU 95 48.716 6.055 1.169 584 HB3 GLU 95 HB3 GLU 95 47.054 6.137 0.587 585 HG2 GLU 95 HG2 GLU 95 46.153 5.594 2.669 586 HG3 GLU 95 HG3 GLU 95 47.633 4.808 3.217 587 HA PRO 96 HA PRO 96 44.644 1.987 -0.994 588 HB2 PRO 96 HB2 PRO 96 44.170 -0.183 0.662 589 HB3 PRO 96 HB3 PRO 96 45.213 -0.208 -0.773 590 HG2 PRO 96 HG2 PRO 96 45.962 0.100 2.095 591 HG3 PRO 96 HG3 PRO 96 46.742 -0.857 0.818 592 HD2 PRO 96 HD2 PRO 96 47.780 1.496 1.560 593 HD3 PRO 96 HD3 PRO 96 47.773 1.010 -0.150 594 H LEU 97 H LEU 97 45.041 2.870 2.350 595 HA LEU 97 HA LEU 97 42.164 2.860 2.854 596 HB2 LEU 97 HB2 LEU 97 44.571 3.514 4.551 597 HB3 LEU 97 HB3 LEU 97 42.924 3.836 5.092 598 HG LEU 97 HG LEU 97 42.456 1.364 4.477 599 HD11 LEU 97 HD11 LEU 97 44.698 0.055 4.927 600 HD12 LEU 97 HD12 LEU 97 45.451 1.534 4.331 601 HD13 LEU 97 HD13 LEU 97 44.332 0.637 3.303 602 HD21 LEU 97 HD21 LEU 97 43.176 0.639 6.694 603 HD22 LEU 97 HD22 LEU 97 42.601 2.304 6.792 604 HD23 LEU 97 HD23 LEU 97 44.332 1.968 6.785 605 H GLU 98 H GLU 98 40.897 4.567 2.542 606 HA GLU 98 HA GLU 98 41.798 6.933 1.310 607 HB2 GLU 98 HB2 GLU 98 39.220 6.369 2.790 608 HB3 GLU 98 HB3 GLU 98 39.508 7.782 1.774 609 HG2 GLU 98 HG2 GLU 98 39.994 6.269 -0.140 610 HG3 GLU 98 HG3 GLU 98 39.609 4.889 0.878 611 H HIS 99 H HIS 99 41.220 6.150 4.708 612 HA HIS 99 HA HIS 99 42.023 8.899 5.452 613 HB2 HIS 99 HB2 HIS 99 40.582 6.766 7.031 614 HB3 HIS 99 HB3 HIS 99 41.077 8.321 7.675 615 HD1 HIS 99 HD1 HIS 99 38.542 6.686 5.468 616 HD2 HIS 99 HD2 HIS 99 39.488 10.529 6.779 617 HE1 HIS 99 HE1 HIS 99 36.576 8.156 4.852 618 H HIS 100 H HIS 100 44.046 9.151 6.114 619 HA HIS 100 HA HIS 100 45.896 7.083 6.494 620 HB2 HIS 100 HB2 HIS 100 46.490 9.423 6.001 621 HB3 HIS 100 HB3 HIS 100 45.976 9.885 7.612 622 HD1 HIS 100 HD1 HIS 100 48.446 7.413 6.063 623 HD2 HIS 100 HD2 HIS 100 48.091 9.925 9.371 624 HE1 HIS 100 HE1 HIS 100 50.630 7.241 7.329 625 H HIS 101 H HIS 101 43.680 8.582 8.777 626 HA HIS 101 HA HIS 101 44.925 7.049 10.984 627 HB2 HIS 101 HB2 HIS 101 43.133 9.478 11.037 628 HB3 HIS 101 HB3 HIS 101 43.675 8.609 12.460 629 HD1 HIS 101 HD1 HIS 101 44.810 11.003 9.827 630 HD2 HIS 101 HD2 HIS 101 46.431 9.034 13.123 631 HE1 HIS 101 HE1 HIS 101 47.041 12.104 10.290 632 H HIS 102 H HIS 102 43.842 5.423 11.877 633 HA HIS 102 HA HIS 102 41.414 4.428 10.870 634 HB2 HIS 102 HB2 HIS 102 43.069 3.075 12.094 635 HB3 HIS 102 HB3 HIS 102 42.680 3.942 13.568 636 HD1 HIS 102 HD1 HIS 102 40.790 1.897 10.948 637 HD2 HIS 102 HD2 HIS 102 40.803 2.594 15.059 638 HE1 HIS 102 HE1 HIS 102 39.014 0.389 11.935 639 H HIS 103 H HIS 103 42.103 6.555 13.609 640 HA HIS 103 HA HIS 103 39.638 6.497 14.903 641 HB2 HIS 103 HB2 HIS 103 41.543 8.811 14.545 642 HB3 HIS 103 HB3 HIS 103 40.215 8.779 15.691 643 HD1 HIS 103 HD1 HIS 103 43.649 7.436 15.079 644 HD2 HIS 103 HD2 HIS 103 40.664 7.105 17.972 645 HE1 HIS 103 HE1 HIS 103 44.716 6.317 17.084 646 H HIS 104 H HIS 104 40.566 8.183 11.949 647 HA HIS 104 HA HIS 104 37.950 9.527 11.861 648 HB2 HIS 104 HB2 HIS 104 40.423 9.832 10.155 649 HB3 HIS 104 HB3 HIS 104 38.923 10.699 9.887 650 HD1 HIS 104 HD1 HIS 104 41.922 10.561 12.112 651 HD2 HIS 104 HD2 HIS 104 38.409 12.781 11.789 652 HE1 HIS 104 HE1 HIS 104 42.198 12.562 13.639 Start of MODEL 8 1 H1 MET 23 HT1 MET 23 59.381 -16.928 9.098 2 H2 MET 23 HT2 MET 23 60.262 -18.381 9.140 3 H3 MET 23 HT3 MET 23 58.897 -18.241 8.137 4 HA MET 23 HA MET 23 61.611 -17.231 7.755 5 HB2 MET 23 HB2 MET 23 59.406 -18.249 5.942 6 HB3 MET 23 HB3 MET 23 61.016 -17.785 5.394 7 HG2 MET 23 HG2 MET 23 61.972 -19.472 6.999 8 HG3 MET 23 HG3 MET 23 60.327 -20.014 7.328 9 HE1 MET 23 HE1 MET 23 59.011 -21.402 4.092 10 HE2 MET 23 HE2 MET 23 59.035 -19.644 4.201 11 HE3 MET 23 HE3 MET 23 58.690 -20.605 5.637 12 H ALA 24 H ALA 24 61.504 -15.043 8.293 13 HA ALA 24 HA ALA 24 59.407 -13.355 7.226 14 HB1 ALA 24 HB1 ALA 24 61.948 -12.278 8.392 15 HB2 ALA 24 HB2 ALA 24 60.792 -13.093 9.447 16 HB3 ALA 24 HB3 ALA 24 60.301 -11.664 8.538 17 H SER 25 H SER 25 59.418 -12.410 5.294 18 HA SER 25 HA SER 25 61.433 -12.797 3.374 19 HB2 SER 25 HB2 SER 25 59.053 -12.234 2.871 20 HB3 SER 25 HB3 SER 25 59.362 -10.593 3.427 21 HG SER 25 HG SER 25 60.295 -11.900 1.189 22 H GLU 26 H GLU 26 60.860 -10.141 5.634 23 HA GLU 26 HA GLU 26 62.593 -8.239 4.524 24 HB2 GLU 26 HB2 GLU 26 60.954 -7.819 6.363 25 HB3 GLU 26 HB3 GLU 26 62.038 -8.670 7.467 26 HG2 GLU 26 HG2 GLU 26 63.846 -7.062 6.878 27 HG3 GLU 26 HG3 GLU 26 62.707 -6.184 5.867 28 H SER 27 H SER 27 63.246 -10.958 6.693 29 HA SER 27 HA SER 27 65.855 -10.286 7.456 30 HB2 SER 27 HB2 SER 27 66.121 -12.594 8.057 31 HB3 SER 27 HB3 SER 27 64.455 -12.142 8.398 32 HG SER 27 HG SER 27 64.573 -14.063 7.230 33 H ASN 28 H ASN 28 64.680 -11.573 4.413 34 HA ASN 28 HA ASN 28 67.003 -12.753 3.415 35 HB2 ASN 28 HB2 ASN 28 64.839 -11.229 1.955 36 HB3 ASN 28 HB3 ASN 28 66.062 -12.224 1.169 37 HD21 ASN 28 HD21 ASN 28 63.207 -12.774 1.047 38 HD22 ASN 28 HD22 ASN 28 62.946 -14.260 1.827 39 H GLY 29 H GLY 29 66.203 -9.347 3.743 40 HA2 GLY 29 HA2 GLY 29 68.573 -8.598 2.166 41 HA3 GLY 29 HA3 GLY 29 67.281 -7.509 2.661 42 H ARG 30 H ARG 30 70.418 -8.238 3.196 43 HA ARG 30 HA ARG 30 70.721 -8.189 6.010 44 HB2 ARG 30 HB2 ARG 30 72.561 -7.144 3.841 45 HB3 ARG 30 HB3 ARG 30 73.020 -7.382 5.528 46 HG2 ARG 30 HG2 ARG 30 72.413 -9.791 5.321 47 HG3 ARG 30 HG3 ARG 30 72.078 -9.531 3.608 48 HD2 ARG 30 HD2 ARG 30 74.438 -8.680 3.358 49 HD3 ARG 30 HD3 ARG 30 74.735 -9.188 5.018 50 HE ARG 30 HE ARG 30 73.750 -11.439 3.869 51 HH11 ARG 30 HH11 ARG 30 76.340 -9.271 2.913 52 HH12 ARG 30 HH12 ARG 30 77.229 -10.525 2.114 53 HH21 ARG 30 HH21 ARG 30 74.939 -13.011 2.826 54 HH22 ARG 30 HH22 ARG 30 76.445 -12.615 2.066 55 H LYS 31 H LYS 31 71.086 -6.456 7.456 56 HA LYS 31 HA LYS 31 69.776 -3.970 6.723 57 HB2 LYS 31 HB2 LYS 31 71.172 -4.829 9.272 58 HB3 LYS 31 HB3 LYS 31 70.302 -3.309 9.068 59 HG2 LYS 31 HG2 LYS 31 68.250 -4.602 8.488 60 HG3 LYS 31 HG3 LYS 31 69.130 -6.094 8.824 61 HD2 LYS 31 HD2 LYS 31 69.568 -5.263 11.140 62 HD3 LYS 31 HD3 LYS 31 68.560 -3.857 10.791 63 HE2 LYS 31 HE2 LYS 31 67.021 -5.299 11.792 64 HE3 LYS 31 HE3 LYS 31 66.781 -5.652 10.081 65 HZ1 LYS 31 HZ1 LYS 31 68.884 -7.196 11.279 66 HZ2 LYS 31 HZ2 LYS 31 67.573 -7.703 10.324 67 HZ3 LYS 31 HZ3 LYS 31 67.372 -7.475 11.996 68 H VAL 32 H VAL 32 70.736 -2.092 6.149 69 HA VAL 32 HA VAL 32 73.661 -1.849 6.490 70 HB VAL 32 HB VAL 32 72.140 -1.226 3.946 71 HG11 VAL 32 HG11 VAL 32 74.353 -0.763 3.004 72 HG12 VAL 32 HG12 VAL 32 75.115 -1.142 4.549 73 HG13 VAL 32 HG13 VAL 32 74.078 0.277 4.401 74 HG21 VAL 32 HG21 VAL 32 73.996 -3.476 4.759 75 HG22 VAL 32 HG22 VAL 32 73.687 -3.073 3.069 76 HG23 VAL 32 HG23 VAL 32 72.362 -3.601 4.108 77 H ASP 33 H ASP 33 74.351 0.068 7.154 78 HA ASP 33 HA ASP 33 72.515 2.182 7.805 79 HB2 ASP 33 HB2 ASP 33 75.538 2.022 7.900 80 HB3 ASP 33 HB3 ASP 33 74.591 3.354 8.556 81 H TYR 34 H TYR 34 72.432 4.283 6.895 82 HA TYR 34 HA TYR 34 72.567 4.486 4.125 83 HB2 TYR 34 HB2 TYR 34 71.249 6.008 5.473 84 HB3 TYR 34 HB3 TYR 34 72.693 6.647 6.229 85 HD1 TYR 34 HD1 TYR 34 72.143 5.921 2.605 86 HD2 TYR 34 HD2 TYR 34 72.603 8.930 5.635 87 HE1 TYR 34 HE1 TYR 34 72.292 7.668 0.852 88 HE2 TYR 34 HE2 TYR 34 72.737 10.677 3.880 89 HH TYR 34 HH TYR 34 72.505 11.059 1.649 90 H SER 35 H SER 35 75.033 5.302 6.544 91 HA SER 35 HA SER 35 76.811 6.676 4.863 92 HB2 SER 35 HB2 SER 35 77.516 4.873 7.191 93 HB3 SER 35 HB3 SER 35 78.522 6.146 6.508 94 HG SER 35 HG SER 35 77.431 7.432 7.728 95 H THR 36 H THR 36 76.447 3.214 5.528 96 HA THR 36 HA THR 36 78.774 2.391 4.099 97 HB THR 36 HB THR 36 76.265 0.795 4.676 98 HG1 THR 36 HG1 THR 36 77.178 1.589 6.540 99 HG21 THR 36 HG21 THR 36 77.638 -0.347 3.072 100 HG22 THR 36 HG22 THR 36 77.954 -1.099 4.636 101 HG23 THR 36 HG23 THR 36 79.109 0.051 3.960 102 H PHE 37 H PHE 37 75.359 2.730 3.199 103 HA PHE 37 HA PHE 37 75.512 1.663 0.623 104 HB2 PHE 37 HB2 PHE 37 73.393 2.200 1.657 105 HB3 PHE 37 HB3 PHE 37 73.801 3.902 1.701 106 HD1 PHE 37 HD2 PHE 37 72.710 1.096 -0.425 107 HD2 PHE 37 HD1 PHE 37 73.686 5.276 -0.306 108 HE1 PHE 37 HE2 PHE 37 71.677 1.406 -2.661 109 HE2 PHE 37 HE1 PHE 37 72.653 5.584 -2.538 110 HZ PHE 37 HZ PHE 37 71.647 3.647 -3.715 111 H LEU 38 H LEU 38 76.155 4.997 1.721 112 HA LEU 38 HA LEU 38 76.450 6.130 -0.831 113 HB2 LEU 38 HB2 LEU 38 77.753 6.924 1.785 114 HB3 LEU 38 HB3 LEU 38 77.687 7.930 0.335 115 HG LEU 38 HG LEU 38 75.225 6.805 1.689 116 HD11 LEU 38 HD11 LEU 38 76.737 8.539 2.986 117 HD12 LEU 38 HD12 LEU 38 74.989 8.750 2.932 118 HD13 LEU 38 HD13 LEU 38 76.023 9.693 1.859 119 HD21 LEU 38 HD21 LEU 38 74.635 7.361 -0.507 120 HD22 LEU 38 HD22 LEU 38 75.780 8.700 -0.579 121 HD23 LEU 38 HD23 LEU 38 74.291 8.861 0.352 122 H GLN 39 H GLN 39 78.842 4.616 1.316 123 HA GLN 39 HA GLN 39 81.111 5.180 -0.269 124 HB2 GLN 39 HB2 GLN 39 81.190 4.318 2.077 125 HB3 GLN 39 HB3 GLN 39 80.678 2.741 1.472 126 HG2 GLN 39 HG2 GLN 39 82.657 2.631 0.023 127 HG3 GLN 39 HG3 GLN 39 83.164 4.224 0.575 128 HE21 GLN 39 HE21 GLN 39 84.992 2.221 0.971 129 HE22 GLN 39 HE22 GLN 39 85.054 1.766 2.606 130 H GLU 40 H GLU 40 78.892 2.408 -0.276 131 HA GLU 40 HA GLU 40 80.269 0.885 -2.194 132 HB2 GLU 40 HB2 GLU 40 78.424 0.071 -0.702 133 HB3 GLU 40 HB3 GLU 40 77.280 0.906 -1.757 134 HG2 GLU 40 HG2 GLU 40 78.145 -0.393 -3.687 135 HG3 GLU 40 HG3 GLU 40 79.224 -1.258 -2.604 136 H VAL 41 H VAL 41 77.741 3.346 -2.566 137 HA VAL 41 HA VAL 41 77.367 3.156 -5.328 138 HB VAL 41 HB VAL 41 77.257 5.611 -3.555 139 HG11 VAL 41 HG11 VAL 41 76.009 5.104 -6.274 140 HG12 VAL 41 HG12 VAL 41 77.368 6.184 -5.960 141 HG13 VAL 41 HG13 VAL 41 75.779 6.546 -5.284 142 HG21 VAL 41 HG21 VAL 41 74.905 4.013 -4.537 143 HG22 VAL 41 HG22 VAL 41 75.020 5.071 -3.132 144 HG23 VAL 41 HG23 VAL 41 75.785 3.484 -3.105 145 H ASN 42 H ASN 42 79.690 5.134 -3.480 146 HA ASN 42 HA ASN 42 80.948 6.387 -5.644 147 HB2 ASN 42 HB2 ASN 42 82.076 5.555 -2.963 148 HB3 ASN 42 HB3 ASN 42 82.875 6.651 -4.090 149 HD21 ASN 42 HD21 ASN 42 81.179 6.824 -1.314 150 HD22 ASN 42 HD22 ASN 42 80.321 8.266 -1.564 151 H ASN 43 H ASN 43 81.395 3.169 -4.303 152 HA ASN 43 HA ASN 43 83.729 2.627 -5.947 153 HB2 ASN 43 HB2 ASN 43 82.077 0.827 -4.167 154 HB3 ASN 43 HB3 ASN 43 83.566 0.349 -4.980 155 HD21 ASN 43 HD21 ASN 43 83.042 0.594 -2.024 156 HD22 ASN 43 HD22 ASN 43 84.203 1.694 -1.455 157 H ASP 44 H ASP 44 80.640 2.933 -6.904 158 HA ASP 44 HA ASP 44 79.345 2.076 -8.584 159 HB2 ASP 44 HB2 ASP 44 81.500 2.847 -9.723 160 HB3 ASP 44 HB3 ASP 44 81.945 1.143 -9.787 161 H GLN 45 H GLN 45 79.792 0.267 -6.350 162 HA GLN 45 HA GLN 45 79.848 -2.358 -7.653 163 HB2 GLN 45 HB2 GLN 45 79.650 -1.605 -4.736 164 HB3 GLN 45 HB3 GLN 45 79.766 -3.251 -5.355 165 HG2 GLN 45 HG2 GLN 45 81.822 -1.065 -5.786 166 HG3 GLN 45 HG3 GLN 45 81.977 -2.400 -4.648 167 HE21 GLN 45 HE21 GLN 45 83.080 -1.484 -7.602 168 HE22 GLN 45 HE22 GLN 45 83.257 -3.003 -8.338 169 H VAL 46 H VAL 46 77.502 -0.056 -6.618 170 HA VAL 46 HA VAL 46 75.398 -1.984 -6.117 171 HB VAL 46 HB VAL 46 75.204 1.011 -6.547 172 HG11 VAL 46 HG11 VAL 46 73.303 -1.032 -5.359 173 HG12 VAL 46 HG12 VAL 46 73.057 -0.097 -6.835 174 HG13 VAL 46 HG13 VAL 46 73.068 0.714 -5.269 175 HG21 VAL 46 HG21 VAL 46 74.991 0.973 -3.997 176 HG22 VAL 46 HG22 VAL 46 76.606 0.672 -4.640 177 HG23 VAL 46 HG23 VAL 46 75.618 -0.673 -4.068 178 H ARG 47 H ARG 47 73.750 -2.565 -7.483 179 HA ARG 47 HA ARG 47 74.193 -1.972 -10.333 180 HB2 ARG 47 HB2 ARG 47 74.115 -4.343 -9.563 181 HB3 ARG 47 HB3 ARG 47 72.457 -4.081 -9.027 182 HG2 ARG 47 HG2 ARG 47 71.809 -3.486 -11.336 183 HG3 ARG 47 HG3 ARG 47 73.464 -3.777 -11.870 184 HD2 ARG 47 HD2 ARG 47 72.219 -5.784 -12.334 185 HD3 ARG 47 HD3 ARG 47 73.251 -6.121 -10.947 186 HE ARG 47 HE ARG 47 70.918 -5.270 -9.819 187 HH11 ARG 47 HH11 ARG 47 71.664 -7.789 -12.149 188 HH12 ARG 47 HH12 ARG 47 70.333 -8.779 -11.655 189 HH21 ARG 47 HH21 ARG 47 69.220 -6.588 -9.226 190 HH22 ARG 47 HH22 ARG 47 68.966 -8.107 -10.020 191 H GLU 48 H GLU 48 71.599 -2.180 -7.915 192 HA GLU 48 HA GLU 48 70.023 -0.223 -9.449 193 HB2 GLU 48 HB2 GLU 48 69.323 -2.507 -10.143 194 HB3 GLU 48 HB3 GLU 48 68.925 -2.865 -8.463 195 HG2 GLU 48 HG2 GLU 48 67.337 -0.960 -8.457 196 HG3 GLU 48 HG3 GLU 48 67.690 -0.676 -10.157 197 H ALA 49 H ALA 49 68.723 1.085 -8.215 198 HA ALA 49 HA ALA 49 68.417 0.439 -5.349 199 HB1 ALA 49 HB1 ALA 49 70.198 2.094 -5.493 200 HB2 ALA 49 HB2 ALA 49 68.749 2.846 -4.826 201 HB3 ALA 49 HB3 ALA 49 69.194 3.127 -6.510 202 H ARG 50 H ARG 50 66.332 0.199 -4.993 203 HA ARG 50 HA ARG 50 64.346 1.739 -6.506 204 HB2 ARG 50 HB2 ARG 50 64.089 -0.524 -4.507 205 HB3 ARG 50 HB3 ARG 50 62.725 0.258 -5.300 206 HG2 ARG 50 HG2 ARG 50 63.702 -0.375 -7.512 207 HG3 ARG 50 HG3 ARG 50 64.982 -1.242 -6.663 208 HD2 ARG 50 HD2 ARG 50 63.190 -2.589 -5.508 209 HD3 ARG 50 HD3 ARG 50 62.013 -1.828 -6.573 210 HE ARG 50 HE ARG 50 63.912 -2.837 -8.273 211 HH11 ARG 50 HH11 ARG 50 61.909 -4.256 -5.763 212 HH12 ARG 50 HH12 ARG 50 61.870 -5.807 -6.532 213 HH21 ARG 50 HH21 ARG 50 63.826 -4.857 -9.217 214 HH22 ARG 50 HH22 ARG 50 62.941 -6.142 -8.462 215 H ILE 51 H ILE 51 63.223 3.406 -5.615 216 HA ILE 51 HA ILE 51 63.772 4.081 -2.795 217 HB ILE 51 HB ILE 51 62.808 5.831 -5.073 218 HG12 ILE 51 HG12 ILE 51 65.510 5.762 -3.700 219 HG13 ILE 51 HG13 ILE 51 65.175 4.974 -5.243 220 HG21 ILE 51 HG21 ILE 51 63.320 7.691 -3.509 221 HG22 ILE 51 HG22 ILE 51 63.679 6.511 -2.247 222 HG23 ILE 51 HG23 ILE 51 62.041 6.644 -2.891 223 HD11 ILE 51 HD11 ILE 51 66.101 7.115 -5.780 224 HD12 ILE 51 HD12 ILE 51 65.059 7.931 -4.615 225 HD13 ILE 51 HD13 ILE 51 64.369 7.240 -6.084 226 H ASN 52 H ASN 52 62.202 3.871 -1.363 227 HA ASN 52 HA ASN 52 59.415 4.369 -2.144 228 HB2 ASN 52 HB2 ASN 52 59.798 1.894 -2.117 229 HB3 ASN 52 HB3 ASN 52 60.283 2.028 -0.428 230 HD21 ASN 52 HD21 ASN 52 57.508 2.557 -2.630 231 HD22 ASN 52 HD22 ASN 52 56.327 2.438 -1.417 232 H GLY 53 H GLY 53 59.356 6.313 -1.050 233 HA2 GLY 53 HA2 GLY 53 59.212 7.748 0.744 234 HA3 GLY 53 HA3 GLY 53 58.969 6.318 1.742 235 H ARG 54 H ARG 54 60.344 6.419 3.402 236 HA ARG 54 HA ARG 54 62.927 7.710 3.187 237 HB2 ARG 54 HB2 ARG 54 61.409 7.758 5.234 238 HB3 ARG 54 HB3 ARG 54 61.912 6.093 5.519 239 HG2 ARG 54 HG2 ARG 54 64.254 6.779 5.638 240 HG3 ARG 54 HG3 ARG 54 63.807 8.444 5.259 241 HD2 ARG 54 HD2 ARG 54 64.081 8.302 7.647 242 HD3 ARG 54 HD3 ARG 54 62.355 8.429 7.322 243 HE ARG 54 HE ARG 54 63.414 5.723 7.568 244 HH11 ARG 54 HH11 ARG 54 61.783 8.378 9.186 245 HH12 ARG 54 HH12 ARG 54 61.143 7.357 10.431 246 HH21 ARG 54 HH21 ARG 54 62.562 4.460 9.196 247 HH22 ARG 54 HH22 ARG 54 61.579 5.167 10.435 248 H GLU 55 H GLU 55 61.829 4.513 2.584 249 HA GLU 55 HA GLU 55 64.425 3.344 3.346 250 HB2 GLU 55 HB2 GLU 55 61.797 2.030 2.621 251 HB3 GLU 55 HB3 GLU 55 63.270 1.178 3.087 252 HG2 GLU 55 HG2 GLU 55 63.256 2.400 5.255 253 HG3 GLU 55 HG3 GLU 55 61.740 3.162 4.794 254 H ILE 56 H ILE 56 65.773 2.456 1.859 255 HA ILE 56 HA ILE 56 64.879 2.374 -0.970 256 HB ILE 56 HB ILE 56 67.700 2.772 0.075 257 HG12 ILE 56 HG12 ILE 56 65.881 4.765 -1.310 258 HG13 ILE 56 HG13 ILE 56 66.140 4.724 0.434 259 HG21 ILE 56 HG21 ILE 56 68.321 3.081 -2.217 260 HG22 ILE 56 HG22 ILE 56 66.639 3.106 -2.740 261 HG23 ILE 56 HG23 ILE 56 67.364 1.602 -2.172 262 HD11 ILE 56 HD11 ILE 56 68.342 5.053 -1.626 263 HD12 ILE 56 HD12 ILE 56 68.535 5.103 0.125 264 HD13 ILE 56 HD13 ILE 56 67.628 6.370 -0.700 265 H ASN 57 H ASN 57 64.929 0.390 -1.897 266 HA ASN 57 HA ASN 57 66.310 -1.790 -0.444 267 HB2 ASN 57 HB2 ASN 57 64.055 -1.775 -2.458 268 HB3 ASN 57 HB3 ASN 57 64.941 -3.245 -2.055 269 HD21 ASN 57 HD21 ASN 57 62.364 -1.204 -1.049 270 HD22 ASN 57 HD22 ASN 57 62.116 -1.901 0.479 271 H VAL 58 H VAL 58 68.050 -2.795 -1.387 272 HA VAL 58 HA VAL 58 68.926 -1.652 -3.982 273 HB VAL 58 HB VAL 58 70.661 -2.152 -1.561 274 HG11 VAL 58 HG11 VAL 58 72.166 -0.573 -3.026 275 HG12 VAL 58 HG12 VAL 58 71.132 -1.122 -4.345 276 HG13 VAL 58 HG13 VAL 58 72.075 -2.290 -3.420 277 HG21 VAL 58 HG21 VAL 58 69.023 -0.231 -1.299 278 HG22 VAL 58 HG22 VAL 58 69.795 0.523 -2.693 279 HG23 VAL 58 HG23 VAL 58 70.721 0.232 -1.221 280 H THR 59 H THR 59 69.860 -2.988 -5.392 281 HA THR 59 HA THR 59 70.546 -5.738 -4.515 282 HB THR 59 HB THR 59 69.748 -4.763 -7.274 283 HG1 THR 59 HG1 THR 59 68.377 -6.222 -5.346 284 HG21 THR 59 HG21 THR 59 69.480 -7.409 -7.427 285 HG22 THR 59 HG22 THR 59 70.731 -7.368 -6.185 286 HG23 THR 59 HG23 THR 59 71.025 -6.625 -7.759 287 H LYS 60 H LYS 60 72.654 -6.239 -4.611 288 HA LYS 60 HA LYS 60 74.554 -4.408 -5.803 289 HB2 LYS 60 HB2 LYS 60 74.913 -7.046 -4.370 290 HB3 LYS 60 HB3 LYS 60 76.237 -6.018 -4.919 291 HG2 LYS 60 HG2 LYS 60 75.312 -4.157 -3.538 292 HG3 LYS 60 HG3 LYS 60 74.088 -5.269 -2.917 293 HD2 LYS 60 HD2 LYS 60 75.913 -6.768 -2.109 294 HD3 LYS 60 HD3 LYS 60 77.092 -5.563 -2.625 295 HE2 LYS 60 HE2 LYS 60 75.726 -3.914 -1.154 296 HE3 LYS 60 HE3 LYS 60 75.050 -5.369 -0.419 297 HZ1 LYS 60 HZ1 LYS 60 77.926 -4.652 -0.594 298 HZ2 LYS 60 HZ2 LYS 60 77.330 -6.120 0.019 299 HZ3 LYS 60 HZ3 LYS 60 76.972 -4.660 0.809 300 H LYS 61 H LYS 61 76.262 -5.179 -7.280 301 HA LYS 61 HA LYS 61 75.327 -6.349 -9.609 302 HB2 LYS 61 HB2 LYS 61 77.626 -6.493 -10.312 303 HB3 LYS 61 HB3 LYS 61 77.425 -5.022 -9.366 304 HG2 LYS 61 HG2 LYS 61 78.305 -6.249 -7.366 305 HG3 LYS 61 HG3 LYS 61 78.618 -7.640 -8.403 306 HD2 LYS 61 HD2 LYS 61 80.001 -6.060 -9.864 307 HD3 LYS 61 HD3 LYS 61 79.894 -4.904 -8.537 308 HE2 LYS 61 HE2 LYS 61 81.060 -7.699 -8.389 309 HE3 LYS 61 HE3 LYS 61 81.961 -6.187 -8.327 310 HZ1 LYS 61 HZ1 LYS 61 81.737 -6.484 -6.125 311 HZ2 LYS 61 HZ2 LYS 61 80.371 -7.483 -6.276 312 HZ3 LYS 61 HZ3 LYS 61 80.205 -5.796 -6.370 313 H ASP 62 H ASP 62 76.471 -7.951 -6.717 314 HA ASP 62 HA ASP 62 76.807 -10.501 -8.095 315 HB2 ASP 62 HB2 ASP 62 78.395 -9.677 -6.330 316 HB3 ASP 62 HB3 ASP 62 77.110 -9.924 -5.150 317 H SER 63 H SER 63 74.059 -9.134 -7.478 318 HA SER 63 HA SER 63 71.944 -9.953 -7.236 319 HB2 SER 63 HB2 SER 63 73.074 -12.680 -6.645 320 HB3 SER 63 HB3 SER 63 71.489 -12.266 -7.289 321 HG SER 63 HG SER 63 72.491 -11.661 -9.152 322 H ASN 64 H ASN 64 74.196 -9.914 -4.730 323 HA ASN 64 HA ASN 64 72.581 -10.971 -2.620 324 HB2 ASN 64 HB2 ASN 64 74.834 -8.947 -2.551 325 HB3 ASN 64 HB3 ASN 64 74.143 -9.748 -1.142 326 HD21 ASN 64 HD21 ASN 64 76.941 -9.967 -2.222 327 HD22 ASN 64 HD22 ASN 64 77.174 -11.621 -2.525 328 H ARG 65 H ARG 65 71.051 -9.948 -1.354 329 HA ARG 65 HA ARG 65 70.252 -7.236 -2.257 330 HB2 ARG 65 HB2 ARG 65 68.593 -9.479 -1.089 331 HB3 ARG 65 HB3 ARG 65 67.985 -7.874 -1.494 332 HG2 ARG 65 HG2 ARG 65 68.690 -8.210 -3.845 333 HG3 ARG 65 HG3 ARG 65 69.245 -9.834 -3.434 334 HD2 ARG 65 HD2 ARG 65 67.036 -10.051 -4.367 335 HD3 ARG 65 HD3 ARG 65 66.909 -10.343 -2.635 336 HE ARG 65 HE ARG 65 66.475 -7.594 -3.187 337 HH11 ARG 65 HH11 ARG 65 64.865 -10.696 -3.516 338 HH12 ARG 65 HH12 ARG 65 63.283 -9.993 -3.453 339 HH21 ARG 65 HH21 ARG 65 64.413 -6.747 -3.111 340 HH22 ARG 65 HH22 ARG 65 63.032 -7.787 -3.226 341 H TYR 66 H TYR 66 69.786 -5.664 -0.795 342 HA TYR 66 HA TYR 66 69.647 -6.287 2.040 343 HB2 TYR 66 HB2 TYR 66 71.433 -4.888 2.735 344 HB3 TYR 66 HB3 TYR 66 72.070 -5.996 1.542 345 HD1 TYR 66 HD1 TYR 66 71.157 -2.496 2.258 346 HD2 TYR 66 HD2 TYR 66 72.891 -5.193 -0.601 347 HE1 TYR 66 HE1 TYR 66 72.093 -0.571 1.011 348 HE2 TYR 66 HE2 TYR 66 73.824 -3.265 -1.851 349 HH TYR 66 HH TYR 66 74.413 -0.881 -1.330 350 H THR 67 H THR 67 69.090 -4.348 3.336 351 HA THR 67 HA THR 67 67.618 -2.331 1.744 352 HB THR 67 HB THR 67 66.728 -3.481 4.399 353 HG1 THR 67 HG1 THR 67 65.607 -3.966 1.911 354 HG21 THR 67 HG21 THR 67 66.074 -1.092 3.489 355 HG22 THR 67 HG22 THR 67 64.838 -2.143 4.181 356 HG23 THR 67 HG23 THR 67 65.006 -2.013 2.430 357 H THR 68 H THR 68 67.938 -0.251 2.320 358 HA THR 68 HA THR 68 69.479 0.280 4.801 359 HB THR 68 HB THR 68 70.944 0.456 2.842 360 HG1 THR 68 HG1 THR 68 70.204 2.779 4.149 361 HG21 THR 68 HG21 THR 68 69.202 0.974 1.168 362 HG22 THR 68 HG22 THR 68 70.512 2.154 1.122 363 HG23 THR 68 HG23 THR 68 68.982 2.564 1.899 364 H TYR 69 H TYR 69 68.950 2.095 5.956 365 HA TYR 69 HA TYR 69 66.445 3.442 5.152 366 HB2 TYR 69 HB2 TYR 69 67.807 3.344 7.847 367 HB3 TYR 69 HB3 TYR 69 66.251 4.075 7.502 368 HD1 TYR 69 HD1 TYR 69 68.094 0.930 7.958 369 HD2 TYR 69 HD2 TYR 69 64.268 2.690 7.114 370 HE1 TYR 69 HE1 TYR 69 66.994 -1.244 8.416 371 HE2 TYR 69 HE2 TYR 69 63.167 0.515 7.572 372 HH TYR 69 HH TYR 69 64.202 -1.749 9.155 373 H ILE 70 H ILE 70 66.367 5.649 4.865 374 HA ILE 70 HA ILE 70 68.942 7.028 4.819 375 HB ILE 70 HB ILE 70 66.290 8.153 3.923 376 HG12 ILE 70 HG12 ILE 70 68.332 6.751 2.170 377 HG13 ILE 70 HG13 ILE 70 66.857 5.970 2.740 378 HG21 ILE 70 HG21 ILE 70 69.041 8.758 2.859 379 HG22 ILE 70 HG22 ILE 70 68.455 9.540 4.327 380 HG23 ILE 70 HG23 ILE 70 67.589 9.760 2.806 381 HD11 ILE 70 HD11 ILE 70 66.128 6.805 0.700 382 HD12 ILE 70 HD12 ILE 70 67.175 8.220 0.786 383 HD13 ILE 70 HD13 ILE 70 65.706 8.148 1.760 384 HA PRO 71 HA PRO 71 67.625 8.678 8.895 385 HB2 PRO 71 HB2 PRO 71 69.696 10.576 9.069 386 HB3 PRO 71 HB3 PRO 71 69.718 8.932 9.727 387 HG2 PRO 71 HG2 PRO 71 70.913 9.980 7.238 388 HG3 PRO 71 HG3 PRO 71 71.476 8.690 8.315 389 HD2 PRO 71 HD2 PRO 71 70.332 8.149 5.922 390 HD3 PRO 71 HD3 PRO 71 70.128 7.077 7.318 391 H VAL 72 H VAL 72 68.704 10.827 6.257 392 HA VAL 72 HA VAL 72 66.261 12.405 6.645 393 HB VAL 72 HB VAL 72 67.533 14.512 6.357 394 HG11 VAL 72 HG11 VAL 72 66.968 13.753 8.620 395 HG12 VAL 72 HG12 VAL 72 68.555 14.525 8.623 396 HG13 VAL 72 HG13 VAL 72 68.430 12.766 8.671 397 HG21 VAL 72 HG21 VAL 72 70.000 14.440 6.644 398 HG22 VAL 72 HG22 VAL 72 69.490 13.584 5.189 399 HG23 VAL 72 HG23 VAL 72 69.937 12.678 6.634 400 H GLN 73 H GLN 73 65.539 13.469 4.731 401 HA GLN 73 HA GLN 73 65.979 12.002 2.362 402 HB2 GLN 73 HB2 GLN 73 64.768 14.746 2.769 403 HB3 GLN 73 HB3 GLN 73 64.695 13.836 1.259 404 HG2 GLN 73 HG2 GLN 73 63.508 12.014 2.374 405 HG3 GLN 73 HG3 GLN 73 63.643 12.843 3.922 406 HE21 GLN 73 HE21 GLN 73 61.096 12.147 2.808 407 HE22 GLN 73 HE22 GLN 73 60.280 13.581 2.409 408 H ASP 74 H ASP 74 67.525 12.118 0.874 409 HA ASP 74 HA ASP 74 69.280 14.509 0.823 410 HB2 ASP 74 HB2 ASP 74 70.107 12.114 1.610 411 HB3 ASP 74 HB3 ASP 74 70.239 11.842 -0.123 412 HA PRO 75 HA PRO 75 67.201 14.308 -3.329 413 HB2 PRO 75 HB2 PRO 75 68.249 17.103 -3.355 414 HB3 PRO 75 HB3 PRO 75 66.648 16.492 -3.820 415 HG2 PRO 75 HG2 PRO 75 66.947 17.798 -1.558 416 HG3 PRO 75 HG3 PRO 75 65.916 16.354 -1.626 417 HD2 PRO 75 HD2 PRO 75 68.715 16.608 -0.548 418 HD3 PRO 75 HD3 PRO 75 67.329 15.713 0.123 419 H LYS 76 H LYS 76 70.379 15.436 -2.343 420 HA LYS 76 HA LYS 76 71.583 15.577 -4.913 421 HB2 LYS 76 HB2 LYS 76 72.539 16.596 -2.845 422 HB3 LYS 76 HB3 LYS 76 72.925 14.975 -2.267 423 HG2 LYS 76 HG2 LYS 76 74.293 14.600 -4.310 424 HG3 LYS 76 HG3 LYS 76 73.964 16.260 -4.810 425 HD2 LYS 76 HD2 LYS 76 74.968 17.048 -2.651 426 HD3 LYS 76 HD3 LYS 76 75.427 15.379 -2.305 427 HE2 LYS 76 HE2 LYS 76 77.363 16.251 -3.311 428 HE3 LYS 76 HE3 LYS 76 76.551 15.446 -4.653 429 HZ1 LYS 76 HZ1 LYS 76 75.778 18.202 -4.190 430 HZ2 LYS 76 HZ2 LYS 76 76.076 17.384 -5.649 431 HZ3 LYS 76 HZ3 LYS 76 77.372 17.978 -4.724 432 H LEU 77 H LEU 77 70.908 12.888 -2.771 433 HA LEU 77 HA LEU 77 72.845 11.065 -3.642 434 HB2 LEU 77 HB2 LEU 77 71.335 10.734 -1.687 435 HB3 LEU 77 HB3 LEU 77 70.004 10.435 -2.806 436 HG LEU 77 HG LEU 77 71.416 8.592 -3.828 437 HD11 LEU 77 HD11 LEU 77 73.118 9.335 -1.446 438 HD12 LEU 77 HD12 LEU 77 73.616 9.128 -3.126 439 HD13 LEU 77 HD13 LEU 77 73.178 7.721 -2.157 440 HD21 LEU 77 HD21 LEU 77 69.608 8.032 -2.307 441 HD22 LEU 77 HD22 LEU 77 70.610 8.421 -0.909 442 HD23 LEU 77 HD23 LEU 77 70.995 7.020 -1.908 443 H LEU 78 H LEU 78 69.715 11.938 -5.043 444 HA LEU 78 HA LEU 78 69.494 9.828 -6.895 445 HB2 LEU 78 HB2 LEU 78 68.549 12.692 -7.192 446 HB3 LEU 78 HB3 LEU 78 67.974 11.311 -8.126 447 HG LEU 78 HG LEU 78 67.761 11.555 -5.110 448 HD11 LEU 78 HD11 LEU 78 65.337 11.869 -5.565 449 HD12 LEU 78 HD12 LEU 78 65.685 11.915 -7.293 450 HD13 LEU 78 HD13 LEU 78 66.308 13.180 -6.234 451 HD21 LEU 78 HD21 LEU 78 67.753 9.254 -5.596 452 HD22 LEU 78 HD22 LEU 78 66.939 9.489 -7.143 453 HD23 LEU 78 HD23 LEU 78 66.037 9.661 -5.637 454 H ASP 79 H ASP 79 70.997 13.036 -7.180 455 HA ASP 79 HA ASP 79 71.740 12.840 -9.888 456 HB2 ASP 79 HB2 ASP 79 73.042 14.366 -7.620 457 HB3 ASP 79 HB3 ASP 79 73.419 14.594 -9.325 458 H ASN 80 H ASN 80 73.439 11.883 -6.927 459 HA ASN 80 HA ASN 80 75.889 11.177 -8.094 460 HB2 ASN 80 HB2 ASN 80 75.362 11.352 -5.623 461 HB3 ASN 80 HB3 ASN 80 74.604 9.765 -5.752 462 HD21 ASN 80 HD21 ASN 80 77.736 11.411 -6.442 463 HD22 ASN 80 HD22 ASN 80 78.685 10.036 -6.146 464 H LEU 81 H LEU 81 73.000 9.168 -7.487 465 HA LEU 81 HA LEU 81 74.051 6.735 -8.412 466 HB2 LEU 81 HB2 LEU 81 71.193 7.728 -8.532 467 HB3 LEU 81 HB3 LEU 81 71.703 6.050 -8.714 468 HG LEU 81 HG LEU 81 72.254 7.742 -6.259 469 HD11 LEU 81 HD11 LEU 81 70.532 6.171 -5.231 470 HD12 LEU 81 HD12 LEU 81 70.100 5.705 -6.876 471 HD13 LEU 81 HD13 LEU 81 69.885 7.374 -6.345 472 HD21 LEU 81 HD21 LEU 81 72.705 4.843 -6.993 473 HD22 LEU 81 HD22 LEU 81 72.656 5.382 -5.315 474 HD23 LEU 81 HD23 LEU 81 73.887 6.014 -6.407 475 H LEU 82 H LEU 82 72.582 9.428 -10.186 476 HA LEU 82 HA LEU 82 72.414 8.026 -12.670 477 HB2 LEU 82 HB2 LEU 82 72.630 11.009 -12.159 478 HB3 LEU 82 HB3 LEU 82 72.154 10.263 -13.684 479 HG LEU 82 HG LEU 82 70.683 9.888 -11.058 480 HD11 LEU 82 HD11 LEU 82 70.269 12.130 -11.672 481 HD12 LEU 82 HD12 LEU 82 68.918 11.249 -12.385 482 HD13 LEU 82 HD13 LEU 82 70.274 11.751 -13.395 483 HD21 LEU 82 HD21 LEU 82 70.261 8.938 -13.890 484 HD22 LEU 82 HD22 LEU 82 68.902 9.096 -12.779 485 HD23 LEU 82 HD23 LEU 82 70.229 7.998 -12.399 486 H THR 83 H THR 83 74.903 10.183 -11.301 487 HA THR 83 HA THR 83 76.645 10.148 -13.496 488 HB THR 83 HB THR 83 77.426 10.241 -10.575 489 HG1 THR 83 HG1 THR 83 76.196 11.931 -10.743 490 HG21 THR 83 HG21 THR 83 78.750 11.077 -13.158 491 HG22 THR 83 HG22 THR 83 79.384 10.014 -11.902 492 HG23 THR 83 HG23 THR 83 79.235 11.745 -11.600 493 H LYS 84 H LYS 84 76.141 7.771 -10.958 494 HA LYS 84 HA LYS 84 78.449 6.186 -11.715 495 HB2 LYS 84 HB2 LYS 84 76.171 5.503 -9.845 496 HB3 LYS 84 HB3 LYS 84 77.689 4.621 -10.002 497 HG2 LYS 84 HG2 LYS 84 77.456 7.523 -9.155 498 HG3 LYS 84 HG3 LYS 84 77.691 6.168 -8.052 499 HD2 LYS 84 HD2 LYS 84 79.791 5.598 -9.328 500 HD3 LYS 84 HD3 LYS 84 79.588 7.105 -10.221 501 HE2 LYS 84 HE2 LYS 84 79.664 7.021 -7.202 502 HE3 LYS 84 HE3 LYS 84 81.119 7.217 -8.179 503 HZ1 LYS 84 HZ1 LYS 84 79.735 9.075 -9.304 504 HZ2 LYS 84 HZ2 LYS 84 80.493 9.380 -7.814 505 HZ3 LYS 84 HZ3 LYS 84 78.830 9.037 -7.869 506 H ASN 85 H ASN 85 75.548 6.576 -13.253 507 HA ASN 85 HA ASN 85 74.346 5.341 -14.747 508 HB2 ASN 85 HB2 ASN 85 76.796 3.561 -14.766 509 HB3 ASN 85 HB3 ASN 85 75.533 3.620 -15.992 510 HD21 ASN 85 HD21 ASN 85 78.573 4.441 -15.903 511 HD22 ASN 85 HD22 ASN 85 78.560 5.973 -16.634 512 H VAL 86 H VAL 86 73.865 4.856 -12.000 513 HA VAL 86 HA VAL 86 73.381 1.964 -11.861 514 HB VAL 86 HB VAL 86 72.900 4.125 -9.792 515 HG11 VAL 86 HG11 VAL 86 71.480 2.169 -9.428 516 HG12 VAL 86 HG12 VAL 86 72.781 2.173 -8.237 517 HG13 VAL 86 HG13 VAL 86 72.864 1.094 -9.631 518 HG21 VAL 86 HG21 VAL 86 75.101 2.045 -9.885 519 HG22 VAL 86 HG22 VAL 86 74.955 3.406 -8.773 520 HG23 VAL 86 HG23 VAL 86 75.317 3.692 -10.475 521 H LYS 87 H LYS 87 71.326 1.076 -11.870 522 HA LYS 87 HA LYS 87 69.289 2.563 -13.227 523 HB2 LYS 87 HB2 LYS 87 69.591 0.084 -13.430 524 HB3 LYS 87 HB3 LYS 87 69.017 -0.079 -11.771 525 HG2 LYS 87 HG2 LYS 87 66.903 1.063 -12.417 526 HG3 LYS 87 HG3 LYS 87 67.471 1.121 -14.086 527 HD2 LYS 87 HD2 LYS 87 67.682 -1.378 -14.041 528 HD3 LYS 87 HD3 LYS 87 66.942 -1.368 -12.439 529 HE2 LYS 87 HE2 LYS 87 64.879 -0.563 -13.266 530 HE3 LYS 87 HE3 LYS 87 65.598 -0.034 -14.787 531 HZ1 LYS 87 HZ1 LYS 87 64.365 -2.441 -14.296 532 HZ2 LYS 87 HZ2 LYS 87 66.023 -2.810 -14.360 533 HZ3 LYS 87 HZ3 LYS 87 65.272 -2.027 -15.668 534 H VAL 88 H VAL 88 67.482 3.561 -12.427 535 HA VAL 88 HA VAL 88 67.189 3.625 -9.476 536 HB VAL 88 HB VAL 88 66.899 5.985 -11.357 537 HG11 VAL 88 HG11 VAL 88 65.441 6.343 -9.524 538 HG12 VAL 88 HG12 VAL 88 66.922 7.185 -9.068 539 HG13 VAL 88 HG13 VAL 88 66.562 5.601 -8.380 540 HG21 VAL 88 HG21 VAL 88 69.222 5.660 -11.201 541 HG22 VAL 88 HG22 VAL 88 69.119 5.039 -9.553 542 HG23 VAL 88 HG23 VAL 88 68.901 6.762 -9.861 543 H VAL 89 H VAL 89 65.220 3.271 -8.740 544 HA VAL 89 HA VAL 89 62.922 3.474 -10.607 545 HB VAL 89 HB VAL 89 63.205 1.490 -8.339 546 HG11 VAL 89 HG11 VAL 89 61.205 1.792 -10.596 547 HG12 VAL 89 HG12 VAL 89 60.901 2.081 -8.884 548 HG13 VAL 89 HG13 VAL 89 61.239 0.447 -9.454 549 HG21 VAL 89 HG21 VAL 89 64.741 0.639 -9.873 550 HG22 VAL 89 HG22 VAL 89 63.868 1.286 -11.263 551 HG23 VAL 89 HG23 VAL 89 63.249 -0.131 -10.413 552 H GLY 90 H GLY 90 61.186 4.630 -9.857 553 HA2 GLY 90 HA2 GLY 90 61.239 5.464 -7.004 554 HA3 GLY 90 HA3 GLY 90 60.778 6.550 -8.311 555 H GLU 91 H GLU 91 59.477 4.937 -5.860 556 HA GLU 91 HA GLU 91 56.861 4.943 -7.135 557 HB2 GLU 91 HB2 GLU 91 58.167 2.442 -6.089 558 HB3 GLU 91 HB3 GLU 91 56.413 2.622 -6.057 559 HG2 GLU 91 HG2 GLU 91 56.566 3.235 -8.531 560 HG3 GLU 91 HG3 GLU 91 58.235 2.668 -8.468 561 HA PRO 92 HA PRO 92 56.894 6.606 -2.813 562 HB2 PRO 92 HB2 PRO 92 54.542 8.085 -3.874 563 HB3 PRO 92 HB3 PRO 92 55.937 8.687 -2.959 564 HG2 PRO 92 HG2 PRO 92 55.653 9.172 -5.562 565 HG3 PRO 92 HG3 PRO 92 57.244 8.901 -4.827 566 HD2 PRO 92 HD2 PRO 92 55.605 7.035 -6.499 567 HD3 PRO 92 HD3 PRO 92 57.369 7.245 -6.441 568 HA PRO 93 HA PRO 93 53.791 3.719 -1.379 569 HB2 PRO 93 HB2 PRO 93 53.091 5.774 0.679 570 HB3 PRO 93 HB3 PRO 93 53.493 4.057 0.892 571 HG2 PRO 93 HG2 PRO 93 55.258 5.903 1.513 572 HG3 PRO 93 HG3 PRO 93 55.769 4.425 0.672 573 HD2 PRO 93 HD2 PRO 93 55.378 7.183 -0.452 574 HD3 PRO 93 HD3 PRO 93 56.638 5.983 -0.824 575 H GLU 94 H GLU 94 51.594 3.352 -1.672 576 HA GLU 94 HA GLU 94 50.043 5.629 -2.752 577 HB2 GLU 94 HB2 GLU 94 49.740 2.657 -3.234 578 HB3 GLU 94 HB3 GLU 94 48.727 3.915 -3.942 579 HG2 GLU 94 HG2 GLU 94 51.726 3.677 -4.307 580 HG3 GLU 94 HG3 GLU 94 50.521 3.197 -5.495 581 H GLU 95 H GLU 95 47.890 5.907 -2.156 582 HA GLU 95 HA GLU 95 46.956 4.353 0.184 583 HB2 GLU 95 HB2 GLU 95 46.760 7.345 -0.239 584 HB3 GLU 95 HB3 GLU 95 45.979 6.456 1.069 585 HG2 GLU 95 HG2 GLU 95 48.090 5.785 1.989 586 HG3 GLU 95 HG3 GLU 95 48.962 6.362 0.569 587 HA PRO 96 HA PRO 96 43.916 4.205 -3.315 588 HB2 PRO 96 HB2 PRO 96 42.743 1.829 -2.509 589 HB3 PRO 96 HB3 PRO 96 44.127 1.949 -3.612 590 HG2 PRO 96 HG2 PRO 96 44.079 1.349 -0.702 591 HG3 PRO 96 HG3 PRO 96 45.085 0.653 -1.986 592 HD2 PRO 96 HD2 PRO 96 46.062 2.511 -0.286 593 HD3 PRO 96 HD3 PRO 96 46.578 2.436 -1.985 594 H LEU 97 H LEU 97 41.973 5.162 -3.245 595 HA LEU 97 HA LEU 97 40.747 5.907 -0.782 596 HB2 LEU 97 HB2 LEU 97 39.633 6.017 -3.594 597 HB3 LEU 97 HB3 LEU 97 38.995 6.875 -2.193 598 HG LEU 97 HG LEU 97 41.797 7.229 -3.300 599 HD11 LEU 97 HD11 LEU 97 40.310 8.181 -4.898 600 HD12 LEU 97 HD12 LEU 97 40.827 9.533 -3.889 601 HD13 LEU 97 HD13 LEU 97 39.239 8.805 -3.643 602 HD21 LEU 97 HD21 LEU 97 41.541 9.350 -1.806 603 HD22 LEU 97 HD22 LEU 97 41.884 7.811 -1.016 604 HD23 LEU 97 HD23 LEU 97 40.241 8.452 -1.023 605 H GLU 98 H GLU 98 40.166 3.324 -3.105 606 HA GLU 98 HA GLU 98 37.561 2.615 -2.389 607 HB2 GLU 98 HB2 GLU 98 39.835 0.884 -3.377 608 HB3 GLU 98 HB3 GLU 98 38.150 0.368 -3.294 609 HG2 GLU 98 HG2 GLU 98 39.161 2.756 -4.865 610 HG3 GLU 98 HG3 GLU 98 38.757 1.187 -5.557 611 H HIS 99 H HIS 99 40.623 1.848 -0.811 612 HA HIS 99 HA HIS 99 39.784 -0.271 0.818 613 HB2 HIS 99 HB2 HIS 99 42.128 0.481 0.573 614 HB3 HIS 99 HB3 HIS 99 41.747 1.924 1.493 615 HD1 HIS 99 HD1 HIS 99 41.507 -1.858 1.982 616 HD2 HIS 99 HD2 HIS 99 42.310 1.600 4.168 617 HE1 HIS 99 HE1 HIS 99 42.097 -2.614 4.324 618 H HIS 100 H HIS 100 39.548 3.234 1.298 619 HA HIS 100 HA HIS 100 38.596 3.256 3.924 620 HB2 HIS 100 HB2 HIS 100 38.006 5.114 1.626 621 HB3 HIS 100 HB3 HIS 100 37.542 5.433 3.286 622 HD1 HIS 100 HD1 HIS 100 40.539 5.220 1.029 623 HD2 HIS 100 HD2 HIS 100 39.665 6.280 4.963 624 HE1 HIS 100 HE1 HIS 100 42.618 6.334 1.947 625 H HIS 101 H HIS 101 36.910 2.457 0.950 626 HA HIS 101 HA HIS 101 34.323 2.510 2.349 627 HB2 HIS 101 HB2 HIS 101 35.022 2.150 -0.565 628 HB3 HIS 101 HB3 HIS 101 33.391 2.097 0.076 629 HD1 HIS 101 HD1 HIS 101 36.176 4.440 -0.771 630 HD2 HIS 101 HD2 HIS 101 32.336 4.649 0.837 631 HE1 HIS 101 HE1 HIS 101 35.531 6.887 -0.778 632 H HIS 102 H HIS 102 33.346 0.716 3.017 633 HA HIS 102 HA HIS 102 34.568 -1.816 2.993 634 HB2 HIS 102 HB2 HIS 102 32.866 -1.102 4.629 635 HB3 HIS 102 HB3 HIS 102 31.650 -1.133 3.366 636 HD1 HIS 102 HD1 HIS 102 34.170 -3.574 4.883 637 HD2 HIS 102 HD2 HIS 102 30.306 -3.531 3.320 638 HE1 HIS 102 HE1 HIS 102 33.267 -5.924 5.146 639 H HIS 103 H HIS 103 32.182 -0.358 0.831 640 HA HIS 103 HA HIS 103 31.341 -2.659 -0.526 641 HB2 HIS 103 HB2 HIS 103 31.677 0.162 -1.552 642 HB3 HIS 103 HB3 HIS 103 30.810 -1.109 -2.394 643 HD1 HIS 103 HD1 HIS 103 30.547 1.276 0.468 644 HD2 HIS 103 HD2 HIS 103 28.263 -1.760 -1.248 645 HE1 HIS 103 HE1 HIS 103 28.234 1.466 1.475 646 H HIS 104 H HIS 104 32.037 -3.673 -2.404 647 HA HIS 104 HA HIS 104 34.787 -3.029 -3.304 648 HB2 HIS 104 HB2 HIS 104 34.718 -5.043 -1.856 649 HB3 HIS 104 HB3 HIS 104 33.576 -5.777 -2.966 650 HD1 HIS 104 HD1 HIS 104 37.085 -4.272 -3.132 651 HD2 HIS 104 HD2 HIS 104 34.844 -7.346 -4.838 652 HE1 HIS 104 HE1 HIS 104 38.653 -5.532 -4.667 Start of MODEL 9 1 H1 MET 23 HT1 MET 23 60.101 -13.967 1.737 2 H2 MET 23 HT2 MET 23 61.004 -13.419 0.406 3 H3 MET 23 HT3 MET 23 61.703 -13.453 1.954 4 HA MET 23 HA MET 23 61.048 -15.716 0.172 5 HB2 MET 23 HB2 MET 23 63.520 -14.863 1.709 6 HB3 MET 23 HB3 MET 23 63.401 -16.317 0.716 7 HG2 MET 23 HG2 MET 23 62.798 -14.857 -1.237 8 HG3 MET 23 HG3 MET 23 63.128 -13.450 -0.228 9 HE1 MET 23 HE1 MET 23 65.828 -16.459 -2.166 10 HE2 MET 23 HE2 MET 23 64.118 -16.571 -1.756 11 HE3 MET 23 HE3 MET 23 65.337 -17.016 -0.562 12 H ALA 24 H ALA 24 62.209 -17.731 1.471 13 HA ALA 24 HA ALA 24 60.327 -18.494 3.423 14 HB1 ALA 24 HB1 ALA 24 62.056 -20.338 3.892 15 HB2 ALA 24 HB2 ALA 24 63.001 -19.605 2.596 16 HB3 ALA 24 HB3 ALA 24 61.392 -20.245 2.260 17 H SER 25 H SER 25 63.531 -17.029 3.711 18 HA SER 25 HA SER 25 63.252 -17.082 6.662 19 HB2 SER 25 HB2 SER 25 65.670 -16.850 6.761 20 HB3 SER 25 HB3 SER 25 65.253 -18.226 5.745 21 HG SER 25 HG SER 25 66.559 -16.012 5.104 22 H GLU 26 H GLU 26 63.163 -15.231 7.768 23 HA GLU 26 HA GLU 26 62.765 -12.737 6.473 24 HB2 GLU 26 HB2 GLU 26 61.809 -13.367 8.690 25 HB3 GLU 26 HB3 GLU 26 63.426 -13.217 9.382 26 HG2 GLU 26 HG2 GLU 26 63.520 -10.866 8.570 27 HG3 GLU 26 HG3 GLU 26 61.872 -11.025 7.982 28 H SER 27 H SER 27 65.629 -14.309 7.733 29 HA SER 27 HA SER 27 67.256 -12.127 8.298 30 HB2 SER 27 HB2 SER 27 67.826 -14.497 8.771 31 HB3 SER 27 HB3 SER 27 68.116 -14.743 7.052 32 HG SER 27 HG SER 27 70.030 -14.127 7.755 33 H ASN 28 H ASN 28 66.296 -13.386 5.163 34 HA ASN 28 HA ASN 28 68.304 -12.319 3.541 35 HB2 ASN 28 HB2 ASN 28 66.647 -12.360 1.743 36 HB3 ASN 28 HB3 ASN 28 66.530 -13.820 2.721 37 HD21 ASN 28 HD21 ASN 28 64.342 -12.728 1.111 38 HD22 ASN 28 HD22 ASN 28 63.101 -12.304 2.188 39 H GLY 29 H GLY 29 68.573 -10.341 2.490 40 HA2 GLY 29 HA2 GLY 29 68.282 -8.059 2.109 41 HA3 GLY 29 HA3 GLY 29 66.807 -8.112 3.072 42 H ARG 30 H ARG 30 70.344 -8.233 3.339 43 HA ARG 30 HA ARG 30 70.499 -8.053 6.159 44 HB2 ARG 30 HB2 ARG 30 72.452 -7.114 4.042 45 HB3 ARG 30 HB3 ARG 30 72.823 -7.270 5.761 46 HG2 ARG 30 HG2 ARG 30 72.219 -9.686 5.639 47 HG3 ARG 30 HG3 ARG 30 71.973 -9.509 3.901 48 HD2 ARG 30 HD2 ARG 30 74.346 -8.674 3.734 49 HD3 ARG 30 HD3 ARG 30 74.555 -9.103 5.429 50 HE ARG 30 HE ARG 30 73.534 -11.307 3.932 51 HH11 ARG 30 HH11 ARG 30 76.515 -9.558 4.548 52 HH12 ARG 30 HH12 ARG 30 77.510 -10.931 4.194 53 HH21 ARG 30 HH21 ARG 30 74.867 -13.039 3.489 54 HH22 ARG 30 HH22 ARG 30 76.587 -12.877 3.602 55 H LYS 31 H LYS 31 70.754 -6.281 7.550 56 HA LYS 31 HA LYS 31 69.571 -3.804 6.628 57 HB2 LYS 31 HB2 LYS 31 69.715 -3.078 8.929 58 HB3 LYS 31 HB3 LYS 31 69.119 -4.734 8.899 59 HG2 LYS 31 HG2 LYS 31 71.452 -5.529 9.347 60 HG3 LYS 31 HG3 LYS 31 71.953 -3.846 9.510 61 HD2 LYS 31 HD2 LYS 31 70.137 -3.609 11.283 62 HD3 LYS 31 HD3 LYS 31 69.995 -5.367 11.242 63 HE2 LYS 31 HE2 LYS 31 72.296 -5.643 11.911 64 HE3 LYS 31 HE3 LYS 31 72.607 -3.915 11.737 65 HZ1 LYS 31 HZ1 LYS 31 71.312 -3.417 13.586 66 HZ2 LYS 31 HZ2 LYS 31 72.155 -4.814 14.062 67 HZ3 LYS 31 HZ3 LYS 31 70.530 -4.923 13.580 68 H VAL 32 H VAL 32 70.583 -1.958 6.061 69 HA VAL 32 HA VAL 32 73.492 -1.755 6.547 70 HB VAL 32 HB VAL 32 72.109 -1.168 3.916 71 HG11 VAL 32 HG11 VAL 32 75.051 -1.118 4.666 72 HG12 VAL 32 HG12 VAL 32 74.048 0.315 4.436 73 HG13 VAL 32 HG13 VAL 32 74.373 -0.761 3.077 74 HG21 VAL 32 HG21 VAL 32 72.285 -3.548 4.183 75 HG22 VAL 32 HG22 VAL 32 73.910 -3.417 4.854 76 HG23 VAL 32 HG23 VAL 32 73.631 -3.065 3.149 77 H ASP 33 H ASP 33 74.149 0.132 7.273 78 HA ASP 33 HA ASP 33 72.340 2.291 7.794 79 HB2 ASP 33 HB2 ASP 33 75.353 2.074 8.022 80 HB3 ASP 33 HB3 ASP 33 74.406 3.431 8.626 81 H TYR 34 H TYR 34 72.336 4.383 6.875 82 HA TYR 34 HA TYR 34 72.574 4.586 4.115 83 HB2 TYR 34 HB2 TYR 34 71.248 6.135 5.407 84 HB3 TYR 34 HB3 TYR 34 72.666 6.716 6.251 85 HD1 TYR 34 HD1 TYR 34 72.179 6.102 2.589 86 HD2 TYR 34 HD2 TYR 34 72.775 8.994 5.708 87 HE1 TYR 34 HE1 TYR 34 72.473 7.882 0.888 88 HE2 TYR 34 HE2 TYR 34 73.053 10.775 4.005 89 HH TYR 34 HH TYR 34 72.784 11.225 1.768 90 H SER 35 H SER 35 74.980 5.351 6.613 91 HA SER 35 HA SER 35 76.853 6.657 4.980 92 HB2 SER 35 HB2 SER 35 76.937 6.524 7.482 93 HB3 SER 35 HB3 SER 35 77.459 4.849 7.330 94 HG SER 35 HG SER 35 78.973 6.888 7.278 95 H THR 36 H THR 36 76.411 3.215 5.718 96 HA THR 36 HA THR 36 78.752 2.322 4.361 97 HB THR 36 HB THR 36 76.208 0.776 4.916 98 HG1 THR 36 HG1 THR 36 76.857 0.899 6.873 99 HG21 THR 36 HG21 THR 36 77.742 -0.307 3.320 100 HG22 THR 36 HG22 THR 36 77.721 -1.172 4.855 101 HG23 THR 36 HG23 THR 36 79.072 -0.110 4.461 102 H PHE 37 H PHE 37 75.375 2.733 3.357 103 HA PHE 37 HA PHE 37 75.558 1.570 0.826 104 HB2 PHE 37 HB2 PHE 37 73.432 2.220 1.774 105 HB3 PHE 37 HB3 PHE 37 73.901 3.906 1.780 106 HD1 PHE 37 HD2 PHE 37 72.767 1.078 -0.297 107 HD2 PHE 37 HD1 PHE 37 73.900 5.221 -0.268 108 HE1 PHE 37 HE2 PHE 37 71.811 1.362 -2.570 109 HE2 PHE 37 HE1 PHE 37 72.945 5.502 -2.537 110 HZ PHE 37 HZ PHE 37 71.898 3.570 -3.688 111 H LEU 38 H LEU 38 76.297 4.916 1.830 112 HA LEU 38 HA LEU 38 76.770 5.936 -0.741 113 HB2 LEU 38 HB2 LEU 38 78.014 6.753 1.895 114 HB3 LEU 38 HB3 LEU 38 78.058 7.707 0.411 115 HG LEU 38 HG LEU 38 75.495 6.786 1.742 116 HD11 LEU 38 HD11 LEU 38 76.323 8.328 3.293 117 HD12 LEU 38 HD12 LEU 38 75.391 9.362 2.209 118 HD13 LEU 38 HD13 LEU 38 77.147 9.279 2.055 119 HD21 LEU 38 HD21 LEU 38 74.636 8.726 0.267 120 HD22 LEU 38 HD22 LEU 38 75.078 7.228 -0.552 121 HD23 LEU 38 HD23 LEU 38 76.182 8.603 -0.573 122 H GLN 39 H GLN 39 78.958 4.332 1.544 123 HA GLN 39 HA GLN 39 81.332 4.680 0.056 124 HB2 GLN 39 HB2 GLN 39 81.232 3.863 2.416 125 HB3 GLN 39 HB3 GLN 39 80.625 2.319 1.814 126 HG2 GLN 39 HG2 GLN 39 82.655 2.021 0.468 127 HG3 GLN 39 HG3 GLN 39 83.261 3.583 1.010 128 HE21 GLN 39 HE21 GLN 39 84.908 1.459 1.536 129 HE22 GLN 39 HE22 GLN 39 84.858 1.040 3.180 130 H GLU 40 H GLU 40 78.896 2.106 -0.022 131 HA GLU 40 HA GLU 40 80.225 0.424 -1.843 132 HB2 GLU 40 HB2 GLU 40 77.276 0.769 -1.272 133 HB3 GLU 40 HB3 GLU 40 77.966 -0.561 -2.208 134 HG2 GLU 40 HG2 GLU 40 79.393 -1.163 -0.272 135 HG3 GLU 40 HG3 GLU 40 78.651 0.126 0.663 136 H VAL 41 H VAL 41 77.884 3.037 -2.380 137 HA VAL 41 HA VAL 41 77.654 2.875 -5.149 138 HB VAL 41 HB VAL 41 77.698 5.350 -3.398 139 HG11 VAL 41 HG11 VAL 41 76.459 4.943 -6.137 140 HG12 VAL 41 HG12 VAL 41 77.961 5.820 -5.840 141 HG13 VAL 41 HG13 VAL 41 76.440 6.427 -5.185 142 HG21 VAL 41 HG21 VAL 41 75.262 3.933 -4.462 143 HG22 VAL 41 HG22 VAL 41 75.386 5.041 -3.096 144 HG23 VAL 41 HG23 VAL 41 76.015 3.401 -2.960 145 H ASN 42 H ASN 42 80.052 4.670 -3.203 146 HA ASN 42 HA ASN 42 81.534 5.749 -5.319 147 HB2 ASN 42 HB2 ASN 42 82.425 4.896 -2.558 148 HB3 ASN 42 HB3 ASN 42 83.399 5.864 -3.665 149 HD21 ASN 42 HD21 ASN 42 81.537 6.295 -1.013 150 HD22 ASN 42 HD22 ASN 42 80.864 7.814 -1.359 151 H ASN 43 H ASN 43 81.604 2.535 -3.905 152 HA ASN 43 HA ASN 43 83.962 1.738 -5.402 153 HB2 ASN 43 HB2 ASN 43 82.040 0.151 -3.692 154 HB3 ASN 43 HB3 ASN 43 83.507 -0.500 -4.421 155 HD21 ASN 43 HD21 ASN 43 82.907 -0.190 -1.507 156 HD22 ASN 43 HD22 ASN 43 84.132 0.811 -0.892 157 H ASP 44 H ASP 44 81.001 2.344 -6.556 158 HA ASP 44 HA ASP 44 79.739 1.610 -8.316 159 HB2 ASP 44 HB2 ASP 44 81.943 2.175 -9.370 160 HB3 ASP 44 HB3 ASP 44 82.371 0.470 -9.265 161 H GLN 45 H GLN 45 79.842 -0.226 -6.045 162 HA GLN 45 HA GLN 45 79.749 -2.850 -7.335 163 HB2 GLN 45 HB2 GLN 45 79.353 -2.064 -4.439 164 HB3 GLN 45 HB3 GLN 45 79.322 -3.715 -5.055 165 HG2 GLN 45 HG2 GLN 45 81.661 -1.802 -5.293 166 HG3 GLN 45 HG3 GLN 45 81.543 -3.129 -4.140 167 HE21 GLN 45 HE21 GLN 45 82.976 -2.384 -7.014 168 HE22 GLN 45 HE22 GLN 45 83.051 -3.930 -7.713 169 H VAL 46 H VAL 46 77.530 -0.353 -6.341 170 HA VAL 46 HA VAL 46 75.230 -2.119 -6.220 171 HB VAL 46 HB VAL 46 75.316 0.911 -6.327 172 HG11 VAL 46 HG11 VAL 46 73.123 -0.003 -6.858 173 HG12 VAL 46 HG12 VAL 46 73.082 0.673 -5.230 174 HG13 VAL 46 HG13 VAL 46 73.194 -1.072 -5.458 175 HG21 VAL 46 HG21 VAL 46 76.600 -0.118 -4.395 176 HG22 VAL 46 HG22 VAL 46 75.087 -0.861 -3.876 177 HG23 VAL 46 HG23 VAL 46 75.242 0.896 -3.915 178 H ARG 47 H ARG 47 73.643 -2.372 -7.817 179 HA ARG 47 HA ARG 47 74.205 -1.036 -10.411 180 HB2 ARG 47 HB2 ARG 47 73.321 -2.958 -11.562 181 HB3 ARG 47 HB3 ARG 47 74.596 -3.483 -10.470 182 HG2 ARG 47 HG2 ARG 47 72.828 -4.102 -8.800 183 HG3 ARG 47 HG3 ARG 47 71.607 -3.717 -10.014 184 HD2 ARG 47 HD2 ARG 47 72.670 -5.375 -11.545 185 HD3 ARG 47 HD3 ARG 47 73.773 -5.816 -10.247 186 HE ARG 47 HE ARG 47 71.043 -5.984 -9.410 187 HH11 ARG 47 HH11 ARG 47 73.491 -7.727 -11.226 188 HH12 ARG 47 HH12 ARG 47 72.750 -9.266 -10.938 189 HH21 ARG 47 HH21 ARG 47 70.135 -7.994 -9.073 190 HH22 ARG 47 HH22 ARG 47 70.874 -9.414 -9.735 191 H GLU 48 H GLU 48 71.655 -2.162 -8.213 192 HA GLU 48 HA GLU 48 69.753 -0.397 -9.658 193 HB2 GLU 48 HB2 GLU 48 69.375 -2.806 -10.177 194 HB3 GLU 48 HB3 GLU 48 69.109 -3.099 -8.458 195 HG2 GLU 48 HG2 GLU 48 67.269 -1.427 -8.489 196 HG3 GLU 48 HG3 GLU 48 67.499 -1.230 -10.221 197 H ALA 49 H ALA 49 68.537 0.917 -8.434 198 HA ALA 49 HA ALA 49 68.280 0.360 -5.554 199 HB1 ALA 49 HB1 ALA 49 70.118 2.089 -6.150 200 HB2 ALA 49 HB2 ALA 49 68.942 2.512 -4.904 201 HB3 ALA 49 HB3 ALA 49 68.772 3.159 -6.536 202 H ARG 50 H ARG 50 66.195 0.158 -5.175 203 HA ARG 50 HA ARG 50 64.223 1.747 -6.661 204 HB2 ARG 50 HB2 ARG 50 63.953 -0.513 -4.662 205 HB3 ARG 50 HB3 ARG 50 62.585 0.324 -5.391 206 HG2 ARG 50 HG2 ARG 50 63.451 -0.313 -7.647 207 HG3 ARG 50 HG3 ARG 50 64.736 -1.230 -6.862 208 HD2 ARG 50 HD2 ARG 50 62.953 -2.541 -5.656 209 HD3 ARG 50 HD3 ARG 50 61.757 -1.724 -6.657 210 HE ARG 50 HE ARG 50 63.409 -2.723 -8.520 211 HH11 ARG 50 HH11 ARG 50 62.007 -4.272 -5.699 212 HH12 ARG 50 HH12 ARG 50 62.004 -5.838 -6.439 213 HH21 ARG 50 HH21 ARG 50 63.380 -4.762 -9.419 214 HH22 ARG 50 HH22 ARG 50 62.772 -6.111 -8.518 215 H ILE 51 H ILE 51 63.100 3.415 -5.740 216 HA ILE 51 HA ILE 51 63.729 4.081 -2.925 217 HB ILE 51 HB ILE 51 62.868 5.901 -5.190 218 HG12 ILE 51 HG12 ILE 51 65.567 5.647 -3.832 219 HG13 ILE 51 HG13 ILE 51 65.181 4.925 -5.394 220 HG21 ILE 51 HG21 ILE 51 62.167 6.701 -2.963 221 HG22 ILE 51 HG22 ILE 51 63.454 7.712 -3.620 222 HG23 ILE 51 HG23 ILE 51 63.820 6.516 -2.375 223 HD11 ILE 51 HD11 ILE 51 64.484 7.274 -6.141 224 HD12 ILE 51 HD12 ILE 51 66.213 7.009 -5.907 225 HD13 ILE 51 HD13 ILE 51 65.276 7.859 -4.678 226 H ASN 52 H ASN 52 62.130 3.863 -1.519 227 HA ASN 52 HA ASN 52 59.374 4.483 -2.330 228 HB2 ASN 52 HB2 ASN 52 59.724 1.988 -2.356 229 HB3 ASN 52 HB3 ASN 52 60.118 2.082 -0.641 230 HD21 ASN 52 HD21 ASN 52 57.485 2.365 -2.989 231 HD22 ASN 52 HD22 ASN 52 56.235 2.396 -1.841 232 H GLY 53 H GLY 53 59.337 6.390 -1.180 233 HA2 GLY 53 HA2 GLY 53 59.179 7.773 0.653 234 HA3 GLY 53 HA3 GLY 53 58.880 6.317 1.600 235 H ARG 54 H ARG 54 60.215 6.319 3.290 236 HA ARG 54 HA ARG 54 62.801 7.609 3.219 237 HB2 ARG 54 HB2 ARG 54 61.239 7.529 5.230 238 HB3 ARG 54 HB3 ARG 54 61.729 5.845 5.418 239 HG2 ARG 54 HG2 ARG 54 64.077 6.523 5.614 240 HG3 ARG 54 HG3 ARG 54 63.626 8.211 5.369 241 HD2 ARG 54 HD2 ARG 54 63.864 7.876 7.739 242 HD3 ARG 54 HD3 ARG 54 62.141 8.012 7.402 243 HE ARG 54 HE ARG 54 63.227 5.306 7.435 244 HH11 ARG 54 HH11 ARG 54 61.548 7.799 9.249 245 HH12 ARG 54 HH12 ARG 54 60.909 6.672 10.399 246 HH21 ARG 54 HH21 ARG 54 62.375 3.902 8.946 247 HH22 ARG 54 HH22 ARG 54 61.372 4.494 10.229 248 H GLU 55 H GLU 55 61.716 4.430 2.442 249 HA GLU 55 HA GLU 55 64.303 3.242 3.207 250 HB2 GLU 55 HB2 GLU 55 61.686 1.949 2.413 251 HB3 GLU 55 HB3 GLU 55 63.154 1.082 2.865 252 HG2 GLU 55 HG2 GLU 55 63.120 2.233 5.071 253 HG3 GLU 55 HG3 GLU 55 61.606 3.005 4.621 254 H ILE 56 H ILE 56 65.683 2.433 1.722 255 HA ILE 56 HA ILE 56 64.827 2.373 -1.117 256 HB ILE 56 HB ILE 56 67.625 2.809 -0.031 257 HG12 ILE 56 HG12 ILE 56 65.789 4.788 -1.414 258 HG13 ILE 56 HG13 ILE 56 66.026 4.728 0.333 259 HG21 ILE 56 HG21 ILE 56 68.272 3.160 -2.309 260 HG22 ILE 56 HG22 ILE 56 66.597 3.159 -2.856 261 HG23 ILE 56 HG23 ILE 56 67.342 1.662 -2.296 262 HD11 ILE 56 HD11 ILE 56 67.499 6.415 -0.764 263 HD12 ILE 56 HD12 ILE 56 68.252 5.122 -1.693 264 HD13 ILE 56 HD13 ILE 56 68.416 5.157 0.063 265 H ASN 57 H ASN 57 64.950 0.413 -2.092 266 HA ASN 57 HA ASN 57 66.275 -1.781 -0.615 267 HB2 ASN 57 HB2 ASN 57 64.314 -1.886 -2.930 268 HB3 ASN 57 HB3 ASN 57 64.985 -3.283 -2.089 269 HD21 ASN 57 HD21 ASN 57 64.819 -2.458 0.595 270 HD22 ASN 57 HD22 ASN 57 63.191 -2.222 1.012 271 H VAL 58 H VAL 58 68.055 -2.801 -1.495 272 HA VAL 58 HA VAL 58 69.064 -1.650 -4.035 273 HB VAL 58 HB VAL 58 70.696 -2.100 -1.534 274 HG11 VAL 58 HG11 VAL 58 72.200 -2.226 -3.310 275 HG12 VAL 58 HG12 VAL 58 72.223 -0.496 -2.977 276 HG13 VAL 58 HG13 VAL 58 71.262 -1.123 -4.315 277 HG21 VAL 58 HG21 VAL 58 69.019 -0.197 -1.358 278 HG22 VAL 58 HG22 VAL 58 69.850 0.559 -2.717 279 HG23 VAL 58 HG23 VAL 58 70.706 0.283 -1.201 280 H THR 59 H THR 59 70.018 -3.016 -5.390 281 HA THR 59 HA THR 59 70.774 -5.712 -4.411 282 HB THR 59 HB THR 59 69.833 -4.966 -7.193 283 HG1 THR 59 HG1 THR 59 67.943 -5.607 -6.531 284 HG21 THR 59 HG21 THR 59 69.596 -7.587 -7.156 285 HG22 THR 59 HG22 THR 59 70.800 -7.480 -5.872 286 HG23 THR 59 HG23 THR 59 71.167 -6.853 -7.479 287 H LYS 60 H LYS 60 72.875 -6.177 -4.595 288 HA LYS 60 HA LYS 60 74.641 -4.417 -6.092 289 HB2 LYS 60 HB2 LYS 60 75.185 -6.793 -4.313 290 HB3 LYS 60 HB3 LYS 60 76.436 -5.826 -5.093 291 HG2 LYS 60 HG2 LYS 60 75.514 -3.800 -3.956 292 HG3 LYS 60 HG3 LYS 60 74.385 -4.845 -3.089 293 HD2 LYS 60 HD2 LYS 60 76.323 -6.145 -2.205 294 HD3 LYS 60 HD3 LYS 60 77.411 -4.998 -2.980 295 HE2 LYS 60 HE2 LYS 60 77.324 -3.939 -0.967 296 HE3 LYS 60 HE3 LYS 60 75.802 -3.291 -1.570 297 HZ1 LYS 60 HZ1 LYS 60 76.262 -5.517 0.299 298 HZ2 LYS 60 HZ2 LYS 60 74.836 -5.472 -0.623 299 HZ3 LYS 60 HZ3 LYS 60 75.203 -4.200 0.442 300 H LYS 61 H LYS 61 76.248 -5.225 -7.568 301 HA LYS 61 HA LYS 61 75.398 -6.945 -9.589 302 HB2 LYS 61 HB2 LYS 61 78.233 -6.313 -8.749 303 HB3 LYS 61 HB3 LYS 61 77.753 -7.006 -10.299 304 HG2 LYS 61 HG2 LYS 61 76.265 -4.979 -10.627 305 HG3 LYS 61 HG3 LYS 61 77.044 -4.272 -9.211 306 HD2 LYS 61 HD2 LYS 61 78.519 -5.229 -11.681 307 HD3 LYS 61 HD3 LYS 61 78.102 -3.546 -11.354 308 HE2 LYS 61 HE2 LYS 61 79.330 -3.930 -9.086 309 HE3 LYS 61 HE3 LYS 61 80.049 -5.321 -9.897 310 HZ1 LYS 61 HZ1 LYS 61 81.198 -4.015 -11.332 311 HZ2 LYS 61 HZ2 LYS 61 81.128 -2.941 -10.017 312 HZ3 LYS 61 HZ3 LYS 61 80.049 -2.766 -11.317 313 H ASP 62 H ASP 62 76.991 -7.718 -6.550 314 HA ASP 62 HA ASP 62 77.714 -10.391 -7.354 315 HB2 ASP 62 HB2 ASP 62 78.960 -9.017 -5.665 316 HB3 ASP 62 HB3 ASP 62 77.609 -9.257 -4.561 317 H SER 63 H SER 63 74.709 -9.357 -7.073 318 HA SER 63 HA SER 63 72.729 -10.461 -6.825 319 HB2 SER 63 HB2 SER 63 74.091 -12.489 -7.551 320 HB3 SER 63 HB3 SER 63 74.203 -12.892 -5.841 321 HG SER 63 HG SER 63 72.298 -13.682 -6.160 322 H ASN 64 H ASN 64 74.802 -9.785 -4.259 323 HA ASN 64 HA ASN 64 73.203 -10.805 -2.111 324 HB2 ASN 64 HB2 ASN 64 75.242 -8.568 -2.191 325 HB3 ASN 64 HB3 ASN 64 74.535 -9.235 -0.721 326 HD21 ASN 64 HD21 ASN 64 77.379 -9.341 -1.354 327 HD22 ASN 64 HD22 ASN 64 77.795 -10.979 -1.518 328 H ARG 65 H ARG 65 71.446 -9.898 -1.139 329 HA ARG 65 HA ARG 65 70.518 -7.283 -2.191 330 HB2 ARG 65 HB2 ARG 65 68.943 -9.606 -1.055 331 HB3 ARG 65 HB3 ARG 65 68.254 -8.069 -1.581 332 HG2 ARG 65 HG2 ARG 65 69.202 -8.457 -3.853 333 HG3 ARG 65 HG3 ARG 65 69.774 -10.037 -3.315 334 HD2 ARG 65 HD2 ARG 65 67.395 -10.599 -2.700 335 HD3 ARG 65 HD3 ARG 65 66.901 -9.096 -3.472 336 HE ARG 65 HE ARG 65 68.511 -10.712 -5.207 337 HH11 ARG 65 HH11 ARG 65 65.237 -10.345 -3.997 338 HH12 ARG 65 HH12 ARG 65 64.533 -11.115 -5.379 339 HH21 ARG 65 HH21 ARG 65 67.548 -11.696 -6.962 340 HH22 ARG 65 HH22 ARG 65 65.826 -11.870 -7.037 341 H TYR 66 H TYR 66 69.886 -5.698 -0.796 342 HA TYR 66 HA TYR 66 69.639 -6.250 2.044 343 HB2 TYR 66 HB2 TYR 66 71.371 -4.809 2.780 344 HB3 TYR 66 HB3 TYR 66 72.073 -5.934 1.642 345 HD1 TYR 66 HD1 TYR 66 71.141 -2.433 2.277 346 HD2 TYR 66 HD2 TYR 66 72.910 -5.168 -0.523 347 HE1 TYR 66 HE1 TYR 66 72.105 -0.525 1.025 348 HE2 TYR 66 HE2 TYR 66 73.868 -3.257 -1.781 349 HH TYR 66 HH TYR 66 74.480 -0.719 -1.015 350 H THR 67 H THR 67 69.039 -4.289 3.275 351 HA THR 67 HA THR 67 67.596 -2.313 1.609 352 HB THR 67 HB THR 67 66.658 -3.454 4.254 353 HG1 THR 67 HG1 THR 67 65.560 -3.876 1.743 354 HG21 THR 67 HG21 THR 67 64.496 -2.319 3.340 355 HG22 THR 67 HG22 THR 67 65.604 -1.408 2.313 356 HG23 THR 67 HG23 THR 67 65.740 -1.302 4.069 357 H THR 68 H THR 68 67.908 -0.223 2.148 358 HA THR 68 HA THR 68 69.440 0.347 4.630 359 HB THR 68 HB THR 68 70.867 0.584 2.651 360 HG1 THR 68 HG1 THR 68 71.567 2.485 3.297 361 HG21 THR 68 HG21 THR 68 68.977 1.063 1.060 362 HG22 THR 68 HG22 THR 68 70.352 2.155 0.889 363 HG23 THR 68 HG23 THR 68 68.898 2.692 1.730 364 H TYR 69 H TYR 69 68.831 2.095 5.836 365 HA TYR 69 HA TYR 69 66.317 3.424 5.029 366 HB2 TYR 69 HB2 TYR 69 67.638 3.276 7.743 367 HB3 TYR 69 HB3 TYR 69 66.073 3.986 7.391 368 HD1 TYR 69 HD1 TYR 69 67.970 0.865 7.795 369 HD2 TYR 69 HD2 TYR 69 64.126 2.575 6.929 370 HE1 TYR 69 HE1 TYR 69 66.903 -1.343 8.168 371 HE2 TYR 69 HE2 TYR 69 63.060 0.368 7.303 372 HH TYR 69 HH TYR 69 63.865 -1.821 8.743 373 H ILE 70 H ILE 70 66.220 5.631 4.790 374 HA ILE 70 HA ILE 70 68.791 7.019 4.757 375 HB ILE 70 HB ILE 70 66.142 8.148 3.862 376 HG12 ILE 70 HG12 ILE 70 68.180 6.754 2.099 377 HG13 ILE 70 HG13 ILE 70 66.710 5.966 2.672 378 HG21 ILE 70 HG21 ILE 70 68.894 8.748 2.799 379 HG22 ILE 70 HG22 ILE 70 68.317 9.523 4.273 380 HG23 ILE 70 HG23 ILE 70 67.447 9.759 2.757 381 HD11 ILE 70 HD11 ILE 70 65.981 6.807 0.634 382 HD12 ILE 70 HD12 ILE 70 67.005 8.237 0.739 383 HD13 ILE 70 HD13 ILE 70 65.537 8.129 1.710 384 HA PRO 71 HA PRO 71 67.388 8.544 8.860 385 HB2 PRO 71 HB2 PRO 71 69.574 10.293 9.195 386 HB3 PRO 71 HB3 PRO 71 69.440 8.638 9.810 387 HG2 PRO 71 HG2 PRO 71 70.860 9.655 7.435 388 HG3 PRO 71 HG3 PRO 71 71.236 8.278 8.484 389 HD2 PRO 71 HD2 PRO 71 70.195 7.960 5.997 390 HD3 PRO 71 HD3 PRO 71 69.845 6.830 7.317 391 H VAL 72 H VAL 72 68.717 10.717 6.360 392 HA VAL 72 HA VAL 72 66.375 12.448 6.738 393 HB VAL 72 HB VAL 72 67.803 14.466 6.560 394 HG11 VAL 72 HG11 VAL 72 68.710 12.693 8.841 395 HG12 VAL 72 HG12 VAL 72 67.115 13.440 8.776 396 HG13 VAL 72 HG13 VAL 72 68.559 14.450 8.844 397 HG21 VAL 72 HG21 VAL 72 70.271 14.133 7.003 398 HG22 VAL 72 HG22 VAL 72 69.737 13.562 5.423 399 HG23 VAL 72 HG23 VAL 72 70.025 12.409 6.727 400 H GLN 73 H GLN 73 65.775 13.616 4.851 401 HA GLN 73 HA GLN 73 66.178 12.208 2.442 402 HB2 GLN 73 HB2 GLN 73 65.137 15.009 2.922 403 HB3 GLN 73 HB3 GLN 73 65.039 14.159 1.380 404 HG2 GLN 73 HG2 GLN 73 63.711 12.381 2.406 405 HG3 GLN 73 HG3 GLN 73 63.864 13.148 3.985 406 HE21 GLN 73 HE21 GLN 73 61.303 12.658 2.793 407 HE22 GLN 73 HE22 GLN 73 60.594 14.156 2.427 408 H ASP 74 H ASP 74 67.799 12.247 1.035 409 HA ASP 74 HA ASP 74 69.647 14.566 1.042 410 HB2 ASP 74 HB2 ASP 74 70.367 12.137 1.827 411 HB3 ASP 74 HB3 ASP 74 70.525 11.870 0.095 412 HA PRO 75 HA PRO 75 67.624 14.467 -3.141 413 HB2 PRO 75 HB2 PRO 75 68.798 17.211 -3.162 414 HB3 PRO 75 HB3 PRO 75 67.173 16.674 -3.634 415 HG2 PRO 75 HG2 PRO 75 67.522 17.968 -1.372 416 HG3 PRO 75 HG3 PRO 75 66.426 16.572 -1.442 417 HD2 PRO 75 HD2 PRO 75 69.231 16.698 -0.357 418 HD3 PRO 75 HD3 PRO 75 67.802 15.873 0.315 419 H LYS 76 H LYS 76 70.851 15.401 -2.119 420 HA LYS 76 HA LYS 76 72.065 15.567 -4.683 421 HB2 LYS 76 HB2 LYS 76 73.073 16.463 -2.583 422 HB3 LYS 76 HB3 LYS 76 73.370 14.805 -2.060 423 HG2 LYS 76 HG2 LYS 76 74.719 14.426 -4.116 424 HG3 LYS 76 HG3 LYS 76 74.480 16.117 -4.559 425 HD2 LYS 76 HD2 LYS 76 75.524 16.776 -2.376 426 HD3 LYS 76 HD3 LYS 76 75.891 15.075 -2.087 427 HE2 LYS 76 HE2 LYS 76 77.872 15.909 -3.061 428 HE3 LYS 76 HE3 LYS 76 77.037 15.139 -4.409 429 HZ1 LYS 76 HZ1 LYS 76 77.335 17.108 -5.398 430 HZ2 LYS 76 HZ2 LYS 76 77.592 17.933 -3.934 431 HZ3 LYS 76 HZ3 LYS 76 76.010 17.614 -4.466 432 H LEU 77 H LEU 77 71.332 12.847 -2.576 433 HA LEU 77 HA LEU 77 73.128 10.965 -3.626 434 HB2 LEU 77 HB2 LEU 77 71.743 10.641 -1.578 435 HB3 LEU 77 HB3 LEU 77 70.325 10.440 -2.607 436 HG LEU 77 HG LEU 77 71.579 8.568 -3.782 437 HD11 LEU 77 HD11 LEU 77 73.842 8.965 -3.205 438 HD12 LEU 77 HD12 LEU 77 73.391 7.560 -2.238 439 HD13 LEU 77 HD13 LEU 77 73.459 9.158 -1.494 440 HD21 LEU 77 HD21 LEU 77 71.263 6.978 -1.802 441 HD22 LEU 77 HD22 LEU 77 69.861 7.956 -2.234 442 HD23 LEU 77 HD23 LEU 77 70.855 8.404 -0.847 443 H LEU 78 H LEU 78 69.923 11.982 -4.743 444 HA LEU 78 HA LEU 78 69.533 9.975 -6.684 445 HB2 LEU 78 HB2 LEU 78 68.592 12.854 -6.741 446 HB3 LEU 78 HB3 LEU 78 67.933 11.530 -7.702 447 HG LEU 78 HG LEU 78 67.964 11.605 -4.670 448 HD11 LEU 78 HD11 LEU 78 65.591 11.907 -6.523 449 HD12 LEU 78 HD12 LEU 78 66.451 13.288 -5.845 450 HD13 LEU 78 HD13 LEU 78 65.633 12.148 -4.777 451 HD21 LEU 78 HD21 LEU 78 66.934 9.666 -6.740 452 HD22 LEU 78 HD22 LEU 78 66.203 9.743 -5.137 453 HD23 LEU 78 HD23 LEU 78 67.910 9.332 -5.309 454 H ASP 79 H ASP 79 71.056 13.180 -6.897 455 HA ASP 79 HA ASP 79 71.557 13.160 -9.662 456 HB2 ASP 79 HB2 ASP 79 71.774 15.152 -8.162 457 HB3 ASP 79 HB3 ASP 79 73.264 14.457 -7.526 458 H ASN 80 H ASN 80 73.486 11.939 -6.951 459 HA ASN 80 HA ASN 80 75.803 11.279 -8.386 460 HB2 ASN 80 HB2 ASN 80 75.435 11.247 -5.854 461 HB3 ASN 80 HB3 ASN 80 74.709 9.661 -6.086 462 HD21 ASN 80 HD21 ASN 80 77.090 9.949 -4.556 463 HD22 ASN 80 HD22 ASN 80 78.369 9.217 -5.397 464 H LEU 81 H LEU 81 72.944 9.267 -7.645 465 HA LEU 81 HA LEU 81 73.858 6.910 -8.866 466 HB2 LEU 81 HB2 LEU 81 71.007 7.900 -8.612 467 HB3 LEU 81 HB3 LEU 81 71.500 6.235 -8.922 468 HG LEU 81 HG LEU 81 72.277 7.826 -6.460 469 HD11 LEU 81 HD11 LEU 81 70.102 5.793 -6.983 470 HD12 LEU 81 HD12 LEU 81 69.939 7.403 -6.282 471 HD13 LEU 81 HD13 LEU 81 70.713 6.113 -5.360 472 HD21 LEU 81 HD21 LEU 81 72.735 4.984 -7.383 473 HD22 LEU 81 HD22 LEU 81 72.819 5.427 -5.678 474 HD23 LEU 81 HD23 LEU 81 73.931 6.159 -6.835 475 H LEU 82 H LEU 82 72.234 9.735 -10.256 476 HA LEU 82 HA LEU 82 71.759 8.500 -12.792 477 HB2 LEU 82 HB2 LEU 82 72.003 11.442 -12.096 478 HB3 LEU 82 HB3 LEU 82 71.361 10.799 -13.608 479 HG LEU 82 HG LEU 82 70.212 10.202 -10.866 480 HD11 LEU 82 HD11 LEU 82 68.295 11.631 -11.826 481 HD12 LEU 82 HD12 LEU 82 69.477 12.206 -13.003 482 HD13 LEU 82 HD13 LEU 82 69.735 12.491 -11.281 483 HD21 LEU 82 HD21 LEU 82 69.647 8.410 -12.315 484 HD22 LEU 82 HD22 LEU 82 69.440 9.486 -13.697 485 HD23 LEU 82 HD23 LEU 82 68.253 9.487 -12.394 486 H THR 83 H THR 83 74.383 10.597 -11.594 487 HA THR 83 HA THR 83 75.823 10.758 -13.991 488 HB THR 83 HB THR 83 76.976 10.655 -11.197 489 HG1 THR 83 HG1 THR 83 76.123 12.531 -10.993 490 HG21 THR 83 HG21 THR 83 78.584 10.510 -13.117 491 HG22 THR 83 HG22 THR 83 78.779 11.972 -12.148 492 HG23 THR 83 HG23 THR 83 77.952 12.048 -13.704 493 H LYS 84 H LYS 84 75.675 8.186 -11.597 494 HA LYS 84 HA LYS 84 77.897 6.727 -12.753 495 HB2 LYS 84 HB2 LYS 84 75.906 6.020 -10.594 496 HB3 LYS 84 HB3 LYS 84 77.217 4.962 -11.117 497 HG2 LYS 84 HG2 LYS 84 78.883 6.569 -10.445 498 HG3 LYS 84 HG3 LYS 84 77.653 7.796 -10.142 499 HD2 LYS 84 HD2 LYS 84 78.272 6.891 -8.004 500 HD3 LYS 84 HD3 LYS 84 76.678 6.246 -8.392 501 HE2 LYS 84 HE2 LYS 84 78.053 4.436 -7.554 502 HE3 LYS 84 HE3 LYS 84 77.794 4.176 -9.274 503 HZ1 LYS 84 HZ1 LYS 84 80.226 4.600 -7.872 504 HZ2 LYS 84 HZ2 LYS 84 80.034 5.761 -9.098 505 HZ3 LYS 84 HZ3 LYS 84 79.987 4.105 -9.477 506 H ASN 85 H ASN 85 74.809 7.135 -13.884 507 HA ASN 85 HA ASN 85 73.433 5.947 -15.267 508 HB2 ASN 85 HB2 ASN 85 75.897 4.251 -15.743 509 HB3 ASN 85 HB3 ASN 85 74.473 4.347 -16.775 510 HD21 ASN 85 HD21 ASN 85 77.476 5.250 -17.065 511 HD22 ASN 85 HD22 ASN 85 77.328 6.824 -17.683 512 H VAL 86 H VAL 86 73.311 5.316 -12.543 513 HA VAL 86 HA VAL 86 73.050 2.401 -12.407 514 HB VAL 86 HB VAL 86 72.569 4.520 -10.292 515 HG11 VAL 86 HG11 VAL 86 72.516 2.699 -8.718 516 HG12 VAL 86 HG12 VAL 86 72.973 1.536 -9.961 517 HG13 VAL 86 HG13 VAL 86 71.380 2.292 -10.002 518 HG21 VAL 86 HG21 VAL 86 74.904 2.612 -10.545 519 HG22 VAL 86 HG22 VAL 86 74.750 3.995 -9.462 520 HG23 VAL 86 HG23 VAL 86 74.950 4.250 -11.193 521 H LYS 87 H LYS 87 71.066 1.349 -12.139 522 HA LYS 87 HA LYS 87 68.827 2.643 -13.391 523 HB2 LYS 87 HB2 LYS 87 69.326 0.195 -13.594 524 HB3 LYS 87 HB3 LYS 87 68.878 0.010 -11.897 525 HG2 LYS 87 HG2 LYS 87 66.639 0.965 -12.411 526 HG3 LYS 87 HG3 LYS 87 67.088 1.045 -14.114 527 HD2 LYS 87 HD2 LYS 87 67.509 -1.428 -14.060 528 HD3 LYS 87 HD3 LYS 87 66.874 -1.454 -12.413 529 HE2 LYS 87 HE2 LYS 87 65.032 -2.026 -13.821 530 HE3 LYS 87 HE3 LYS 87 64.772 -0.346 -13.354 531 HZ1 LYS 87 HZ1 LYS 87 64.710 0.141 -15.500 532 HZ2 LYS 87 HZ2 LYS 87 65.154 -1.439 -15.937 533 HZ3 LYS 87 HZ3 LYS 87 66.350 -0.277 -15.617 534 H VAL 88 H VAL 88 67.145 3.676 -12.456 535 HA VAL 88 HA VAL 88 66.853 3.496 -9.515 536 HB VAL 88 HB VAL 88 66.678 6.045 -11.147 537 HG11 VAL 88 HG11 VAL 88 65.195 6.246 -9.300 538 HG12 VAL 88 HG12 VAL 88 66.688 7.015 -8.759 539 HG13 VAL 88 HG13 VAL 88 66.292 5.382 -8.223 540 HG21 VAL 88 HG21 VAL 88 69.005 5.145 -10.833 541 HG22 VAL 88 HG22 VAL 88 68.745 5.206 -9.090 542 HG23 VAL 88 HG23 VAL 88 68.739 6.696 -10.034 543 H VAL 89 H VAL 89 64.866 3.126 -8.850 544 HA VAL 89 HA VAL 89 62.625 3.487 -10.769 545 HB VAL 89 HB VAL 89 62.783 1.485 -8.503 546 HG11 VAL 89 HG11 VAL 89 60.853 1.865 -10.810 547 HG12 VAL 89 HG12 VAL 89 60.510 2.135 -9.101 548 HG13 VAL 89 HG13 VAL 89 60.823 0.502 -9.691 549 HG21 VAL 89 HG21 VAL 89 62.841 -0.121 -10.590 550 HG22 VAL 89 HG22 VAL 89 64.338 0.606 -10.006 551 HG23 VAL 89 HG23 VAL 89 63.518 1.287 -11.412 552 H GLY 90 H GLY 90 61.011 4.820 -10.125 553 HA2 GLY 90 HA2 GLY 90 61.065 5.790 -7.333 554 HA3 GLY 90 HA3 GLY 90 60.345 6.639 -8.698 555 H GLU 91 H GLU 91 59.493 5.218 -5.957 556 HA GLU 91 HA GLU 91 56.801 4.692 -6.926 557 HB2 GLU 91 HB2 GLU 91 58.578 2.568 -5.763 558 HB3 GLU 91 HB3 GLU 91 56.832 2.501 -5.523 559 HG2 GLU 91 HG2 GLU 91 56.662 2.850 -8.078 560 HG3 GLU 91 HG3 GLU 91 58.368 2.408 -8.115 561 HA PRO 92 HA PRO 92 56.909 6.975 -2.893 562 HB2 PRO 92 HB2 PRO 92 54.077 7.420 -3.728 563 HB3 PRO 92 HB3 PRO 92 55.254 8.575 -3.075 564 HG2 PRO 92 HG2 PRO 92 54.609 8.562 -5.652 565 HG3 PRO 92 HG3 PRO 92 56.260 8.913 -5.106 566 HD2 PRO 92 HD2 PRO 92 55.197 6.441 -6.394 567 HD3 PRO 92 HD3 PRO 92 56.818 7.162 -6.495 568 HA PRO 93 HA PRO 93 55.375 3.567 -0.541 569 HB2 PRO 93 HB2 PRO 93 54.161 5.550 1.341 570 HB3 PRO 93 HB3 PRO 93 55.240 4.181 1.684 571 HG2 PRO 93 HG2 PRO 93 56.181 6.634 1.726 572 HG3 PRO 93 HG3 PRO 93 57.130 5.326 0.993 573 HD2 PRO 93 HD2 PRO 93 55.545 7.482 -0.368 574 HD3 PRO 93 HD3 PRO 93 57.111 6.768 -0.824 575 H GLU 94 H GLU 94 53.620 2.296 -0.662 576 HA GLU 94 HA GLU 94 50.933 3.424 -0.464 577 HB2 GLU 94 HB2 GLU 94 51.841 1.772 -2.837 578 HB3 GLU 94 HB3 GLU 94 50.165 2.188 -2.476 579 HG2 GLU 94 HG2 GLU 94 50.774 4.600 -2.588 580 HG3 GLU 94 HG3 GLU 94 52.409 4.144 -3.042 581 H GLU 95 H GLU 95 49.630 2.085 0.684 582 HA GLU 95 HA GLU 95 50.436 -0.739 0.979 583 HB2 GLU 95 HB2 GLU 95 50.018 -0.598 3.408 584 HB3 GLU 95 HB3 GLU 95 51.359 0.422 2.900 585 HG2 GLU 95 HG2 GLU 95 49.468 2.272 2.709 586 HG3 GLU 95 HG3 GLU 95 48.625 1.214 3.838 587 HA PRO 96 HA PRO 96 45.827 -0.299 0.129 588 HB2 PRO 96 HB2 PRO 96 45.830 -2.465 -1.601 589 HB3 PRO 96 HB3 PRO 96 45.959 -0.769 -2.108 590 HG2 PRO 96 HG2 PRO 96 48.130 -2.776 -1.678 591 HG3 PRO 96 HG3 PRO 96 47.915 -1.615 -3.007 592 HD2 PRO 96 HD2 PRO 96 49.651 -1.046 -1.070 593 HD3 PRO 96 HD3 PRO 96 48.571 0.226 -1.689 594 H LEU 97 H LEU 97 48.004 -3.037 0.703 595 HA LEU 97 HA LEU 97 45.996 -4.168 2.561 596 HB2 LEU 97 HB2 LEU 97 46.540 -5.636 0.611 597 HB3 LEU 97 HB3 LEU 97 48.225 -5.642 1.135 598 HG LEU 97 HG LEU 97 47.388 -6.483 3.391 599 HD11 LEU 97 HD11 LEU 97 45.136 -7.718 3.126 600 HD12 LEU 97 HD12 LEU 97 44.869 -6.664 1.737 601 HD13 LEU 97 HD13 LEU 97 45.075 -5.969 3.344 602 HD21 LEU 97 HD21 LEU 97 48.473 -8.027 1.897 603 HD22 LEU 97 HD22 LEU 97 47.045 -8.121 0.866 604 HD23 LEU 97 HD23 LEU 97 47.013 -8.827 2.482 605 H GLU 98 H GLU 98 46.557 -4.012 4.646 606 HA GLU 98 HA GLU 98 49.331 -3.301 5.299 607 HB2 GLU 98 HB2 GLU 98 46.810 -3.243 6.976 608 HB3 GLU 98 HB3 GLU 98 48.401 -2.704 7.515 609 HG2 GLU 98 HG2 GLU 98 48.452 -1.071 5.640 610 HG3 GLU 98 HG3 GLU 98 46.828 -1.569 5.186 611 H HIS 99 H HIS 99 50.695 -4.687 6.206 612 HA HIS 99 HA HIS 99 50.119 -7.415 6.570 613 HB2 HIS 99 HB2 HIS 99 52.355 -5.744 7.718 614 HB3 HIS 99 HB3 HIS 99 52.305 -7.497 7.732 615 HD1 HIS 99 HD1 HIS 99 52.878 -4.558 5.491 616 HD2 HIS 99 HD2 HIS 99 52.841 -8.717 5.202 617 HE1 HIS 99 HE1 HIS 99 53.906 -5.128 3.249 618 H HIS 100 H HIS 100 50.060 -4.704 8.831 619 HA HIS 100 HA HIS 100 50.065 -6.126 11.242 620 HB2 HIS 100 HB2 HIS 100 48.691 -3.532 10.540 621 HB3 HIS 100 HB3 HIS 100 48.900 -4.136 12.172 622 HD1 HIS 100 HD1 HIS 100 50.721 -2.512 9.347 623 HD2 HIS 100 HD2 HIS 100 51.590 -3.955 13.160 624 HE1 HIS 100 HE1 HIS 100 53.021 -1.637 9.935 625 H HIS 101 H HIS 101 48.483 -7.012 12.514 626 HA HIS 101 HA HIS 101 46.018 -7.764 11.132 627 HB2 HIS 101 HB2 HIS 101 47.239 -8.708 13.722 628 HB3 HIS 101 HB3 HIS 101 45.738 -9.317 13.051 629 HD1 HIS 101 HD1 HIS 101 49.450 -9.446 12.633 630 HD2 HIS 101 HD2 HIS 101 46.068 -11.024 10.775 631 HE1 HIS 101 HE1 HIS 101 50.273 -11.258 11.070 632 H HIS 102 H HIS 102 47.028 -5.598 13.658 633 HA HIS 102 HA HIS 102 44.765 -5.512 15.284 634 HB2 HIS 102 HB2 HIS 102 46.887 -4.340 15.752 635 HB3 HIS 102 HB3 HIS 102 46.534 -3.208 14.461 636 HD1 HIS 102 HD1 HIS 102 44.857 -4.422 17.673 637 HD2 HIS 102 HD2 HIS 102 45.268 -0.951 15.401 638 HE1 HIS 102 HE1 HIS 102 43.676 -2.585 18.953 639 H HIS 103 H HIS 103 45.383 -3.915 12.183 640 HA HIS 103 HA HIS 103 43.136 -2.227 12.151 641 HB2 HIS 103 HB2 HIS 103 44.636 -3.558 9.896 642 HB3 HIS 103 HB3 HIS 103 43.389 -2.347 9.657 643 HD1 HIS 103 HD1 HIS 103 46.918 -2.787 10.840 644 HD2 HIS 103 HD2 HIS 103 44.190 0.315 10.285 645 HE1 HIS 103 HE1 HIS 103 48.233 -0.634 11.047 646 H HIS 104 H HIS 104 41.073 -2.466 11.282 647 HA HIS 104 HA HIS 104 40.201 -5.220 10.657 648 HB2 HIS 104 HB2 HIS 104 39.660 -4.649 13.016 649 HB3 HIS 104 HB3 HIS 104 38.730 -3.277 12.442 650 HD1 HIS 104 HD1 HIS 104 38.794 -7.060 11.916 651 HD2 HIS 104 HD2 HIS 104 36.073 -3.907 12.090 652 HE1 HIS 104 HE1 HIS 104 36.492 -8.089 11.701 Start of MODEL 10 1 H1 MET 23 HT1 MET 23 61.988 -12.318 -7.454 2 H2 MET 23 HT2 MET 23 60.294 -12.439 -7.405 3 H3 MET 23 HT3 MET 23 61.237 -13.182 -6.202 4 HA MET 23 HA MET 23 62.018 -10.983 -5.476 5 HB2 MET 23 HB2 MET 23 59.908 -10.040 -7.445 6 HB3 MET 23 HB3 MET 23 60.816 -9.009 -6.343 7 HG2 MET 23 HG2 MET 23 61.986 -10.684 -8.584 8 HG3 MET 23 HG3 MET 23 61.800 -8.934 -8.592 9 HE1 MET 23 HE1 MET 23 62.993 -8.241 -5.283 10 HE2 MET 23 HE2 MET 23 62.437 -7.550 -6.805 11 HE3 MET 23 HE3 MET 23 64.138 -7.434 -6.362 12 H ALA 24 H ALA 24 61.127 -12.220 -3.728 13 HA ALA 24 HA ALA 24 58.232 -11.989 -3.305 14 HB1 ALA 24 HB1 ALA 24 60.215 -13.411 -1.529 15 HB2 ALA 24 HB2 ALA 24 59.512 -14.169 -2.958 16 HB3 ALA 24 HB3 ALA 24 58.472 -13.656 -1.630 17 H SER 25 H SER 25 57.382 -10.510 -1.988 18 HA SER 25 HA SER 25 58.885 -8.474 -0.769 19 HB2 SER 25 HB2 SER 25 56.084 -9.374 -0.061 20 HB3 SER 25 HB3 SER 25 56.801 -7.806 0.295 21 HG SER 25 HG SER 25 55.659 -7.675 -1.599 22 H GLU 26 H GLU 26 57.623 -11.516 0.516 23 HA GLU 26 HA GLU 26 58.009 -11.062 3.244 24 HB2 GLU 26 HB2 GLU 26 56.836 -13.027 2.243 25 HB3 GLU 26 HB3 GLU 26 58.409 -13.687 1.796 26 HG2 GLU 26 HG2 GLU 26 59.090 -13.596 4.191 27 HG3 GLU 26 HG3 GLU 26 57.477 -13.037 4.605 28 H SER 27 H SER 27 60.338 -11.963 0.742 29 HA SER 27 HA SER 27 62.394 -12.922 2.382 30 HB2 SER 27 HB2 SER 27 62.372 -13.094 -0.094 31 HB3 SER 27 HB3 SER 27 62.679 -11.364 -0.196 32 HG SER 27 HG SER 27 64.609 -12.453 -0.243 33 H ASN 28 H ASN 28 63.839 -12.009 3.677 34 HA ASN 28 HA ASN 28 63.912 -9.078 3.916 35 HB2 ASN 28 HB2 ASN 28 64.960 -11.261 5.733 36 HB3 ASN 28 HB3 ASN 28 65.120 -9.534 6.043 37 HD21 ASN 28 HD21 ASN 28 63.637 -11.393 7.749 38 HD22 ASN 28 HD22 ASN 28 62.012 -10.901 7.721 39 H GLY 29 H GLY 29 66.018 -8.027 4.131 40 HA2 GLY 29 HA2 GLY 29 68.240 -9.520 2.851 41 HA3 GLY 29 HA3 GLY 29 67.846 -7.867 2.387 42 H ARG 30 H ARG 30 70.367 -8.310 3.194 43 HA ARG 30 HA ARG 30 70.887 -8.186 5.975 44 HB2 ARG 30 HB2 ARG 30 72.512 -7.125 3.648 45 HB3 ARG 30 HB3 ARG 30 73.107 -7.306 5.300 46 HG2 ARG 30 HG2 ARG 30 72.579 -9.739 5.189 47 HG3 ARG 30 HG3 ARG 30 72.102 -9.533 3.503 48 HD2 ARG 30 HD2 ARG 30 74.403 -8.598 3.055 49 HD3 ARG 30 HD3 ARG 30 74.846 -9.065 4.695 50 HE ARG 30 HE ARG 30 73.720 -11.193 3.065 51 HH11 ARG 30 HH11 ARG 30 76.671 -9.626 4.144 52 HH12 ARG 30 HH12 ARG 30 77.653 -11.007 3.785 53 HH21 ARG 30 HH21 ARG 30 75.036 -12.939 2.622 54 HH22 ARG 30 HH22 ARG 30 76.738 -12.858 2.934 55 H LYS 31 H LYS 31 71.238 -6.426 7.366 56 HA LYS 31 HA LYS 31 69.879 -3.962 6.627 57 HB2 LYS 31 HB2 LYS 31 71.373 -4.643 9.174 58 HB3 LYS 31 HB3 LYS 31 70.285 -3.278 8.934 59 HG2 LYS 31 HG2 LYS 31 69.476 -6.191 8.711 60 HG3 LYS 31 HG3 LYS 31 69.183 -5.172 10.119 61 HD2 LYS 31 HD2 LYS 31 67.914 -3.593 8.623 62 HD3 LYS 31 HD3 LYS 31 68.076 -4.777 7.325 63 HE2 LYS 31 HE2 LYS 31 66.845 -6.431 8.582 64 HE3 LYS 31 HE3 LYS 31 66.836 -5.404 10.016 65 HZ1 LYS 31 HZ1 LYS 31 65.516 -4.801 7.424 66 HZ2 LYS 31 HZ2 LYS 31 65.546 -3.766 8.773 67 HZ3 LYS 31 HZ3 LYS 31 64.737 -5.258 8.861 68 H VAL 32 H VAL 32 70.833 -2.068 6.048 69 HA VAL 32 HA VAL 32 73.766 -1.840 6.351 70 HB VAL 32 HB VAL 32 72.216 -1.195 3.831 71 HG11 VAL 32 HG11 VAL 32 74.444 -0.774 2.869 72 HG12 VAL 32 HG12 VAL 32 75.192 -1.112 4.430 73 HG13 VAL 32 HG13 VAL 32 74.153 0.300 4.237 74 HG21 VAL 32 HG21 VAL 32 73.719 -3.052 2.921 75 HG22 VAL 32 HG22 VAL 32 72.424 -3.577 3.997 76 HG23 VAL 32 HG23 VAL 32 74.077 -3.459 4.599 77 H ASP 33 H ASP 33 74.439 0.025 7.105 78 HA ASP 33 HA ASP 33 72.645 2.183 7.716 79 HB2 ASP 33 HB2 ASP 33 75.658 1.937 7.902 80 HB3 ASP 33 HB3 ASP 33 74.730 3.287 8.545 81 H TYR 34 H TYR 34 72.651 4.293 6.833 82 HA TYR 34 HA TYR 34 72.856 4.545 4.075 83 HB2 TYR 34 HB2 TYR 34 71.569 6.092 5.397 84 HB3 TYR 34 HB3 TYR 34 72.996 6.622 6.259 85 HD1 TYR 34 HD1 TYR 34 72.481 6.134 2.578 86 HD2 TYR 34 HD2 TYR 34 73.165 8.907 5.786 87 HE1 TYR 34 HE1 TYR 34 72.815 7.960 0.933 88 HE2 TYR 34 HE2 TYR 34 73.483 10.733 4.140 89 HH TYR 34 HH TYR 34 72.795 11.149 1.700 90 H SER 35 H SER 35 75.316 5.204 6.549 91 HA SER 35 HA SER 35 77.189 6.516 4.918 92 HB2 SER 35 HB2 SER 35 77.313 6.306 7.415 93 HB3 SER 35 HB3 SER 35 77.799 4.627 7.202 94 HG SER 35 HG SER 35 79.641 5.324 6.334 95 H THR 36 H THR 36 76.680 3.064 5.559 96 HA THR 36 HA THR 36 78.983 2.160 4.143 97 HB THR 36 HB THR 36 76.415 0.649 4.678 98 HG1 THR 36 HG1 THR 36 77.159 0.415 6.617 99 HG21 THR 36 HG21 THR 36 77.792 -1.328 4.457 100 HG22 THR 36 HG22 THR 36 79.249 -0.346 4.298 101 HG23 THR 36 HG23 THR 36 78.033 -0.332 3.021 102 H PHE 37 H PHE 37 75.599 2.658 3.209 103 HA PHE 37 HA PHE 37 75.718 1.561 0.645 104 HB2 PHE 37 HB2 PHE 37 73.626 2.232 1.680 105 HB3 PHE 37 HB3 PHE 37 74.118 3.914 1.653 106 HD1 PHE 37 HD2 PHE 37 72.897 1.076 -0.354 107 HD2 PHE 37 HD1 PHE 37 74.088 5.203 -0.414 108 HE1 PHE 37 HE2 PHE 37 71.886 1.338 -2.604 109 HE2 PHE 37 HE1 PHE 37 73.078 5.463 -2.663 110 HZ PHE 37 HZ PHE 37 71.975 3.530 -3.758 111 H LEU 38 H LEU 38 76.531 4.864 1.728 112 HA LEU 38 HA LEU 38 76.952 5.962 -0.821 113 HB2 LEU 38 HB2 LEU 38 78.292 6.660 1.803 114 HB3 LEU 38 HB3 LEU 38 78.319 7.662 0.353 115 HG LEU 38 HG LEU 38 75.777 6.768 1.741 116 HD11 LEU 38 HD11 LEU 38 77.521 9.193 2.069 117 HD12 LEU 38 HD12 LEU 38 76.682 8.249 3.302 118 HD13 LEU 38 HD13 LEU 38 75.776 9.349 2.263 119 HD21 LEU 38 HD21 LEU 38 74.919 8.769 0.345 120 HD22 LEU 38 HD22 LEU 38 75.288 7.280 -0.524 121 HD23 LEU 38 HD23 LEU 38 76.431 8.624 -0.553 122 H GLN 39 H GLN 39 79.182 4.272 1.363 123 HA GLN 39 HA GLN 39 81.516 4.651 -0.179 124 HB2 GLN 39 HB2 GLN 39 81.479 3.791 2.167 125 HB3 GLN 39 HB3 GLN 39 80.857 2.257 1.555 126 HG2 GLN 39 HG2 GLN 39 82.850 1.985 0.149 127 HG3 GLN 39 HG3 GLN 39 83.471 3.536 0.704 128 HE21 GLN 39 HE21 GLN 39 85.126 1.395 1.145 129 HE22 GLN 39 HE22 GLN 39 85.119 0.946 2.783 130 H GLU 40 H GLU 40 79.072 2.078 -0.250 131 HA GLU 40 HA GLU 40 80.355 0.442 -2.142 132 HB2 GLU 40 HB2 GLU 40 77.408 0.784 -1.560 133 HB3 GLU 40 HB3 GLU 40 78.098 -0.519 -2.531 134 HG2 GLU 40 HG2 GLU 40 79.517 -1.169 -0.590 135 HG3 GLU 40 HG3 GLU 40 78.729 0.072 0.373 136 H VAL 41 H VAL 41 78.060 3.118 -2.562 137 HA VAL 41 HA VAL 41 77.737 2.963 -5.331 138 HB VAL 41 HB VAL 41 77.817 5.430 -3.573 139 HG11 VAL 41 HG11 VAL 41 78.018 5.909 -6.015 140 HG12 VAL 41 HG12 VAL 41 76.503 6.500 -5.330 141 HG13 VAL 41 HG13 VAL 41 76.520 5.015 -6.283 142 HG21 VAL 41 HG21 VAL 41 75.525 5.103 -3.194 143 HG22 VAL 41 HG22 VAL 41 76.152 3.459 -3.113 144 HG23 VAL 41 HG23 VAL 41 75.353 4.024 -4.577 145 H ASN 42 H ASN 42 80.183 4.738 -3.436 146 HA ASN 42 HA ASN 42 81.599 5.856 -5.579 147 HB2 ASN 42 HB2 ASN 42 82.593 4.951 -2.869 148 HB3 ASN 42 HB3 ASN 42 83.503 5.970 -3.985 149 HD21 ASN 42 HD21 ASN 42 81.730 6.275 -1.252 150 HD22 ASN 42 HD22 ASN 42 81.020 7.793 -1.520 151 H ASN 43 H ASN 43 81.735 2.627 -4.197 152 HA ASN 43 HA ASN 43 84.057 1.877 -5.777 153 HB2 ASN 43 HB2 ASN 43 82.256 0.273 -3.959 154 HB3 ASN 43 HB3 ASN 43 83.685 -0.369 -4.764 155 HD21 ASN 43 HD21 ASN 43 83.407 -0.212 -1.877 156 HD22 ASN 43 HD22 ASN 43 84.585 0.870 -1.310 157 H ASP 44 H ASP 44 81.055 2.411 -6.837 158 HA ASP 44 HA ASP 44 79.722 1.599 -8.513 159 HB2 ASP 44 HB2 ASP 44 81.972 2.092 -9.624 160 HB3 ASP 44 HB3 ASP 44 82.243 0.351 -9.592 161 H GLN 45 H GLN 45 79.933 -0.123 -6.182 162 HA GLN 45 HA GLN 45 79.819 -2.816 -7.316 163 HB2 GLN 45 HB2 GLN 45 79.523 -1.847 -4.467 164 HB3 GLN 45 HB3 GLN 45 79.491 -3.537 -4.969 165 HG2 GLN 45 HG2 GLN 45 81.795 -1.619 -5.421 166 HG3 GLN 45 HG3 GLN 45 81.739 -2.868 -4.180 167 HE21 GLN 45 HE21 GLN 45 83.056 -2.299 -7.147 168 HE22 GLN 45 HE22 GLN 45 83.123 -3.887 -7.747 169 H VAL 46 H VAL 46 77.612 -0.274 -6.465 170 HA VAL 46 HA VAL 46 75.359 -2.043 -6.032 171 HB VAL 46 HB VAL 46 75.408 0.964 -6.430 172 HG11 VAL 46 HG11 VAL 46 73.307 -0.981 -5.443 173 HG12 VAL 46 HG12 VAL 46 73.183 0.147 -6.793 174 HG13 VAL 46 HG13 VAL 46 73.219 0.754 -5.138 175 HG21 VAL 46 HG21 VAL 46 75.332 1.097 -3.990 176 HG22 VAL 46 HG22 VAL 46 76.754 0.174 -4.478 177 HG23 VAL 46 HG23 VAL 46 75.327 -0.663 -3.868 178 H ARG 47 H ARG 47 73.712 -2.495 -7.431 179 HA ARG 47 HA ARG 47 74.241 -1.918 -10.274 180 HB2 ARG 47 HB2 ARG 47 74.032 -4.296 -9.426 181 HB3 ARG 47 HB3 ARG 47 72.348 -3.940 -9.059 182 HG2 ARG 47 HG2 ARG 47 71.949 -3.354 -11.424 183 HG3 ARG 47 HG3 ARG 47 73.633 -3.729 -11.797 184 HD2 ARG 47 HD2 ARG 47 72.348 -5.683 -12.357 185 HD3 ARG 47 HD3 ARG 47 73.223 -6.047 -10.872 186 HE ARG 47 HE ARG 47 70.753 -5.013 -10.111 187 HH11 ARG 47 HH11 ARG 47 71.908 -7.829 -11.861 188 HH12 ARG 47 HH12 ARG 47 70.551 -8.799 -11.393 189 HH21 ARG 47 HH21 ARG 47 69.031 -6.311 -9.542 190 HH22 ARG 47 HH22 ARG 47 68.943 -7.949 -10.097 191 H GLU 48 H GLU 48 71.619 -2.074 -7.890 192 HA GLU 48 HA GLU 48 70.087 -0.084 -9.427 193 HB2 GLU 48 HB2 GLU 48 69.369 -2.343 -10.163 194 HB3 GLU 48 HB3 GLU 48 68.962 -2.735 -8.493 195 HG2 GLU 48 HG2 GLU 48 67.377 -0.829 -8.458 196 HG3 GLU 48 HG3 GLU 48 67.740 -0.510 -10.150 197 H ALA 49 H ALA 49 68.801 1.233 -8.202 198 HA ALA 49 HA ALA 49 68.452 0.577 -5.342 199 HB1 ALA 49 HB1 ALA 49 68.702 3.056 -4.896 200 HB2 ALA 49 HB2 ALA 49 69.325 3.213 -6.538 201 HB3 ALA 49 HB3 ALA 49 70.189 2.228 -5.358 202 H ARG 50 H ARG 50 66.366 0.324 -5.010 203 HA ARG 50 HA ARG 50 64.385 1.855 -6.540 204 HB2 ARG 50 HB2 ARG 50 64.111 -0.392 -4.522 205 HB3 ARG 50 HB3 ARG 50 62.760 0.371 -5.357 206 HG2 ARG 50 HG2 ARG 50 63.782 -0.290 -7.537 207 HG3 ARG 50 HG3 ARG 50 65.054 -1.131 -6.652 208 HD2 ARG 50 HD2 ARG 50 63.254 -2.480 -5.511 209 HD3 ARG 50 HD3 ARG 50 62.091 -1.746 -6.611 210 HE ARG 50 HE ARG 50 64.116 -3.735 -7.279 211 HH11 ARG 50 HH11 ARG 50 61.763 -1.438 -8.507 212 HH12 ARG 50 HH12 ARG 50 61.689 -2.193 -10.064 213 HH21 ARG 50 HH21 ARG 50 63.980 -4.663 -9.302 214 HH22 ARG 50 HH22 ARG 50 62.930 -3.996 -10.507 215 H ILE 51 H ILE 51 63.258 3.527 -5.659 216 HA ILE 51 HA ILE 51 63.800 4.211 -2.839 217 HB ILE 51 HB ILE 51 62.871 5.957 -5.134 218 HG12 ILE 51 HG12 ILE 51 65.555 5.877 -3.731 219 HG13 ILE 51 HG13 ILE 51 65.233 5.076 -5.269 220 HG21 ILE 51 HG21 ILE 51 63.698 6.636 -2.295 221 HG22 ILE 51 HG22 ILE 51 62.081 6.802 -2.981 222 HG23 ILE 51 HG23 ILE 51 63.396 7.819 -3.568 223 HD11 ILE 51 HD11 ILE 51 64.923 8.044 -4.733 224 HD12 ILE 51 HD12 ILE 51 64.603 7.240 -6.270 225 HD13 ILE 51 HD13 ILE 51 66.245 7.297 -5.629 226 H ASN 52 H ASN 52 62.222 3.978 -1.424 227 HA ASN 52 HA ASN 52 59.446 4.527 -2.211 228 HB2 ASN 52 HB2 ASN 52 59.942 2.016 -2.213 229 HB3 ASN 52 HB3 ASN 52 60.172 2.165 -0.472 230 HD21 ASN 52 HD21 ASN 52 57.744 2.747 -3.052 231 HD22 ASN 52 HD22 ASN 52 56.399 2.572 -2.033 232 H GLY 53 H GLY 53 59.267 6.388 -1.035 233 HA2 GLY 53 HA2 GLY 53 59.120 7.774 0.795 234 HA3 GLY 53 HA3 GLY 53 58.990 6.313 1.770 235 H ARG 54 H ARG 54 60.420 6.483 3.387 236 HA ARG 54 HA ARG 54 62.975 7.819 3.012 237 HB2 ARG 54 HB2 ARG 54 61.483 7.957 5.098 238 HB3 ARG 54 HB3 ARG 54 62.103 6.352 5.487 239 HG2 ARG 54 HG2 ARG 54 64.394 7.181 5.473 240 HG3 ARG 54 HG3 ARG 54 63.845 8.774 4.952 241 HD2 ARG 54 HD2 ARG 54 64.199 8.879 7.332 242 HD3 ARG 54 HD3 ARG 54 62.460 8.891 7.055 243 HE ARG 54 HE ARG 54 63.584 6.255 7.487 244 HH11 ARG 54 HH11 ARG 54 62.166 9.059 9.052 245 HH12 ARG 54 HH12 ARG 54 61.689 8.160 10.453 246 HH21 ARG 54 HH21 ARG 54 62.945 5.150 9.316 247 HH22 ARG 54 HH22 ARG 54 62.125 5.974 10.600 248 H GLU 55 H GLU 55 61.916 4.625 2.515 249 HA GLU 55 HA GLU 55 64.525 3.484 3.285 250 HB2 GLU 55 HB2 GLU 55 61.898 2.140 2.610 251 HB3 GLU 55 HB3 GLU 55 63.383 1.303 3.065 252 HG2 GLU 55 HG2 GLU 55 63.390 2.551 5.218 253 HG3 GLU 55 HG3 GLU 55 61.861 3.293 4.770 254 H ILE 56 H ILE 56 65.862 2.588 1.789 255 HA ILE 56 HA ILE 56 64.941 2.501 -1.031 256 HB ILE 56 HB ILE 56 67.771 2.869 -0.001 257 HG12 ILE 56 HG12 ILE 56 65.963 4.876 -1.378 258 HG13 ILE 56 HG13 ILE 56 66.239 4.839 0.363 259 HG21 ILE 56 HG21 ILE 56 68.381 3.176 -2.299 260 HG22 ILE 56 HG22 ILE 56 66.696 3.196 -2.812 261 HG23 ILE 56 HG23 ILE 56 67.425 1.696 -2.239 262 HD11 ILE 56 HD11 ILE 56 68.418 5.146 -1.726 263 HD12 ILE 56 HD12 ILE 56 68.639 5.184 0.022 264 HD13 ILE 56 HD13 ILE 56 67.734 6.465 -0.781 265 H ASN 57 H ASN 57 64.964 0.520 -1.961 266 HA ASN 57 HA ASN 57 66.298 -1.687 -0.510 267 HB2 ASN 57 HB2 ASN 57 64.236 -1.777 -2.736 268 HB3 ASN 57 HB3 ASN 57 64.907 -3.176 -1.900 269 HD21 ASN 57 HD21 ASN 57 64.874 -2.298 0.775 270 HD22 ASN 57 HD22 ASN 57 63.270 -2.020 1.254 271 H VAL 58 H VAL 58 68.046 -2.710 -1.440 272 HA VAL 58 HA VAL 58 68.948 -1.589 -4.036 273 HB VAL 58 HB VAL 58 70.660 -2.059 -1.592 274 HG11 VAL 58 HG11 VAL 58 71.172 -1.085 -4.392 275 HG12 VAL 58 HG12 VAL 58 72.091 -2.248 -3.437 276 HG13 VAL 58 HG13 VAL 58 72.198 -0.527 -3.071 277 HG21 VAL 58 HG21 VAL 58 69.857 0.604 -2.792 278 HG22 VAL 58 HG22 VAL 58 70.725 0.320 -1.283 279 HG23 VAL 58 HG23 VAL 58 69.024 -0.113 -1.412 280 H THR 59 H THR 59 69.880 -2.944 -5.425 281 HA THR 59 HA THR 59 70.541 -5.690 -4.515 282 HB THR 59 HB THR 59 69.738 -4.750 -7.284 283 HG1 THR 59 HG1 THR 59 67.913 -4.874 -6.240 284 HG21 THR 59 HG21 THR 59 70.692 -7.351 -6.153 285 HG22 THR 59 HG22 THR 59 71.000 -6.633 -7.736 286 HG23 THR 59 HG23 THR 59 69.444 -7.391 -7.398 287 H LYS 60 H LYS 60 72.645 -6.225 -4.631 288 HA LYS 60 HA LYS 60 74.547 -4.428 -5.886 289 HB2 LYS 60 HB2 LYS 60 74.908 -7.011 -4.359 290 HB3 LYS 60 HB3 LYS 60 76.232 -6.021 -4.968 291 HG2 LYS 60 HG2 LYS 60 75.352 -4.098 -3.638 292 HG3 LYS 60 HG3 LYS 60 74.127 -5.174 -2.956 293 HD2 LYS 60 HD2 LYS 60 75.950 -6.663 -2.127 294 HD3 LYS 60 HD3 LYS 60 77.132 -5.494 -2.713 295 HE2 LYS 60 HE2 LYS 60 75.808 -3.776 -1.277 296 HE3 LYS 60 HE3 LYS 60 75.147 -5.198 -0.470 297 HZ1 LYS 60 HZ1 LYS 60 77.167 -5.778 0.378 298 HZ2 LYS 60 HZ2 LYS 60 77.342 -4.088 0.360 299 HZ3 LYS 60 HZ3 LYS 60 78.045 -5.030 -0.866 300 H LYS 61 H LYS 61 76.208 -5.210 -7.374 301 HA LYS 61 HA LYS 61 75.346 -6.609 -9.617 302 HB2 LYS 61 HB2 LYS 61 78.165 -6.421 -8.529 303 HB3 LYS 61 HB3 LYS 61 77.734 -6.887 -10.172 304 HG2 LYS 61 HG2 LYS 61 76.960 -4.238 -8.929 305 HG3 LYS 61 HG3 LYS 61 78.398 -4.466 -9.922 306 HD2 LYS 61 HD2 LYS 61 76.914 -5.325 -11.758 307 HD3 LYS 61 HD3 LYS 61 75.519 -4.877 -10.778 308 HE2 LYS 61 HE2 LYS 61 76.179 -2.548 -10.786 309 HE3 LYS 61 HE3 LYS 61 77.698 -2.940 -11.593 310 HZ1 LYS 61 HZ1 LYS 61 75.243 -3.816 -12.897 311 HZ2 LYS 61 HZ2 LYS 61 76.685 -3.224 -13.575 312 HZ3 LYS 61 HZ3 LYS 61 75.553 -2.148 -12.904 313 H ASP 62 H ASP 62 76.608 -7.887 -6.594 314 HA ASP 62 HA ASP 62 77.109 -10.517 -7.699 315 HB2 ASP 62 HB2 ASP 62 78.404 -9.371 -5.812 316 HB3 ASP 62 HB3 ASP 62 77.049 -9.814 -4.776 317 H SER 63 H SER 63 74.227 -9.214 -7.327 318 HA SER 63 HA SER 63 72.138 -10.116 -7.196 319 HB2 SER 63 HB2 SER 63 73.287 -12.198 -8.115 320 HB3 SER 63 HB3 SER 63 73.328 -12.777 -6.453 321 HG SER 63 HG SER 63 71.273 -13.118 -6.619 322 H ASN 64 H ASN 64 74.239 -9.950 -4.560 323 HA ASN 64 HA ASN 64 72.501 -10.987 -2.536 324 HB2 ASN 64 HB2 ASN 64 74.732 -8.948 -2.327 325 HB3 ASN 64 HB3 ASN 64 73.981 -9.800 -0.978 326 HD21 ASN 64 HD21 ASN 64 73.805 -12.419 -1.993 327 HD22 ASN 64 HD22 ASN 64 75.367 -13.012 -2.291 328 H ARG 65 H ARG 65 70.941 -9.929 -1.336 329 HA ARG 65 HA ARG 65 70.208 -7.214 -2.280 330 HB2 ARG 65 HB2 ARG 65 68.486 -9.421 -1.134 331 HB3 ARG 65 HB3 ARG 65 67.913 -7.807 -1.556 332 HG2 ARG 65 HG2 ARG 65 68.654 -8.165 -3.891 333 HG3 ARG 65 HG3 ARG 65 69.175 -9.797 -3.465 334 HD2 ARG 65 HD2 ARG 65 66.977 -9.980 -4.435 335 HD3 ARG 65 HD3 ARG 65 66.818 -10.264 -2.703 336 HE ARG 65 HE ARG 65 65.566 -8.324 -2.548 337 HH11 ARG 65 HH11 ARG 65 67.224 -8.308 -5.642 338 HH12 ARG 65 HH12 ARG 65 66.374 -6.907 -6.203 339 HH21 ARG 65 HH21 ARG 65 64.502 -6.524 -3.325 340 HH22 ARG 65 HH22 ARG 65 64.852 -5.911 -4.907 341 H TYR 66 H TYR 66 69.731 -5.625 -0.829 342 HA TYR 66 HA TYR 66 69.576 -6.230 2.009 343 HB2 TYR 66 HB2 TYR 66 71.384 -4.850 2.695 344 HB3 TYR 66 HB3 TYR 66 72.002 -5.991 1.524 345 HD1 TYR 66 HD1 TYR 66 71.117 -2.458 2.147 346 HD2 TYR 66 HD2 TYR 66 72.890 -5.245 -0.598 347 HE1 TYR 66 HE1 TYR 66 72.108 -0.574 0.876 348 HE2 TYR 66 HE2 TYR 66 73.877 -3.361 -1.872 349 HH TYR 66 HH TYR 66 74.505 -0.867 -1.217 350 H THR 67 H THR 67 69.107 -4.252 3.298 351 HA THR 67 HA THR 67 67.625 -2.238 1.709 352 HB THR 67 HB THR 67 66.810 -3.359 4.403 353 HG1 THR 67 HG1 THR 67 66.122 -4.870 3.140 354 HG21 THR 67 HG21 THR 67 66.007 -1.122 4.164 355 HG22 THR 67 HG22 THR 67 64.651 -2.172 3.749 356 HG23 THR 67 HG23 THR 67 65.579 -1.383 2.473 357 H THR 68 H THR 68 68.003 -0.157 2.222 358 HA THR 68 HA THR 68 69.631 0.404 4.641 359 HB THR 68 HB THR 68 71.009 0.589 2.624 360 HG1 THR 68 HG1 THR 68 71.348 2.086 4.236 361 HG21 THR 68 HG21 THR 68 70.473 2.034 0.812 362 HG22 THR 68 HG22 THR 68 69.152 2.786 1.706 363 HG23 THR 68 HG23 THR 68 68.997 1.125 1.135 364 H TYR 69 H TYR 69 69.082 2.167 5.848 365 HA TYR 69 HA TYR 69 66.562 3.522 5.095 366 HB2 TYR 69 HB2 TYR 69 67.931 3.363 7.783 367 HB3 TYR 69 HB3 TYR 69 66.361 4.072 7.459 368 HD1 TYR 69 HD2 TYR 69 64.405 2.660 7.033 369 HD2 TYR 69 HD1 TYR 69 68.266 0.954 7.831 370 HE1 TYR 69 HE2 TYR 69 63.348 0.451 7.429 371 HE2 TYR 69 HE1 TYR 69 67.208 -1.254 8.227 372 HH TYR 69 HH TYR 69 63.836 -1.634 8.491 373 H ILE 70 H ILE 70 66.498 5.717 4.806 374 HA ILE 70 HA ILE 70 69.063 7.116 4.861 375 HB ILE 70 HB ILE 70 66.446 8.255 3.889 376 HG12 ILE 70 HG12 ILE 70 68.516 6.842 2.178 377 HG13 ILE 70 HG13 ILE 70 67.022 6.069 2.707 378 HG21 ILE 70 HG21 ILE 70 67.834 9.801 2.728 379 HG22 ILE 70 HG22 ILE 70 69.276 8.819 2.995 380 HG23 ILE 70 HG23 ILE 70 68.529 9.674 4.345 381 HD11 ILE 70 HD11 ILE 70 66.303 6.914 0.685 382 HD12 ILE 70 HD12 ILE 70 67.416 8.280 0.738 383 HD13 ILE 70 HD13 ILE 70 65.942 8.303 1.705 384 HA PRO 71 HA PRO 71 67.670 8.735 8.911 385 HB2 PRO 71 HB2 PRO 71 69.570 10.815 9.024 386 HB3 PRO 71 HB3 PRO 71 69.742 9.192 9.712 387 HG2 PRO 71 HG2 PRO 71 70.809 10.292 7.187 388 HG3 PRO 71 HG3 PRO 71 71.493 9.073 8.276 389 HD2 PRO 71 HD2 PRO 71 70.372 8.390 5.911 390 HD3 PRO 71 HD3 PRO 71 70.263 7.336 7.334 391 H VAL 72 H VAL 72 68.517 10.926 6.239 392 HA VAL 72 HA VAL 72 65.964 12.311 6.642 393 HB VAL 72 HB VAL 72 67.672 13.674 7.788 394 HG11 VAL 72 HG11 VAL 72 69.514 14.670 6.538 395 HG12 VAL 72 HG12 VAL 72 68.989 13.858 5.063 396 HG13 VAL 72 HG13 VAL 72 69.610 12.912 6.417 397 HG21 VAL 72 HG21 VAL 72 66.828 14.932 5.162 398 HG22 VAL 72 HG22 VAL 72 67.179 15.772 6.672 399 HG23 VAL 72 HG23 VAL 72 65.760 14.731 6.552 400 H GLN 73 H GLN 73 65.068 13.155 4.724 401 HA GLN 73 HA GLN 73 65.597 11.701 2.388 402 HB2 GLN 73 HB2 GLN 73 64.189 14.359 2.735 403 HB3 GLN 73 HB3 GLN 73 64.152 13.393 1.260 404 HG2 GLN 73 HG2 GLN 73 63.131 11.529 2.464 405 HG3 GLN 73 HG3 GLN 73 63.238 12.418 3.980 406 HE21 GLN 73 HE21 GLN 73 60.726 11.495 2.953 407 HE22 GLN 73 HE22 GLN 73 59.796 12.850 2.527 408 H ASP 74 H ASP 74 67.014 11.931 0.777 409 HA ASP 74 HA ASP 74 68.700 14.371 0.732 410 HB2 ASP 74 HB2 ASP 74 69.611 11.985 1.450 411 HB3 ASP 74 HB3 ASP 74 69.708 11.750 -0.292 412 HA PRO 75 HA PRO 75 66.593 14.221 -3.410 413 HB2 PRO 75 HB2 PRO 75 67.549 17.048 -3.332 414 HB3 PRO 75 HB3 PRO 75 65.971 16.402 -3.830 415 HG2 PRO 75 HG2 PRO 75 66.213 17.637 -1.521 416 HG3 PRO 75 HG3 PRO 75 65.232 16.163 -1.646 417 HD2 PRO 75 HD2 PRO 75 68.012 16.473 -0.536 418 HD3 PRO 75 HD3 PRO 75 66.654 15.505 0.088 419 H LYS 76 H LYS 76 69.723 15.442 -2.370 420 HA LYS 76 HA LYS 76 70.947 15.668 -4.924 421 HB2 LYS 76 HB2 LYS 76 71.845 16.683 -2.829 422 HB3 LYS 76 HB3 LYS 76 72.279 15.066 -2.275 423 HG2 LYS 76 HG2 LYS 76 73.683 14.773 -4.309 424 HG3 LYS 76 HG3 LYS 76 73.302 16.429 -4.783 425 HD2 LYS 76 HD2 LYS 76 74.254 17.214 -2.599 426 HD3 LYS 76 HD3 LYS 76 74.766 15.557 -2.278 427 HE2 LYS 76 HE2 LYS 76 75.545 16.947 -4.837 428 HE3 LYS 76 HE3 LYS 76 76.489 17.163 -3.363 429 HZ1 LYS 76 HZ1 LYS 76 75.823 14.540 -4.585 430 HZ2 LYS 76 HZ2 LYS 76 76.807 14.797 -3.224 431 HZ3 LYS 76 HZ3 LYS 76 77.311 15.338 -4.753 432 H LEU 77 H LEU 77 70.324 12.921 -2.849 433 HA LEU 77 HA LEU 77 72.326 11.168 -3.707 434 HB2 LEU 77 HB2 LEU 77 70.772 10.755 -1.805 435 HB3 LEU 77 HB3 LEU 77 69.481 10.447 -2.965 436 HG LEU 77 HG LEU 77 70.966 8.662 -3.987 437 HD11 LEU 77 HD11 LEU 77 73.131 9.265 -3.205 438 HD12 LEU 77 HD12 LEU 77 72.715 7.800 -2.315 439 HD13 LEU 77 HD13 LEU 77 72.579 9.375 -1.533 440 HD21 LEU 77 HD21 LEU 77 69.128 8.045 -2.511 441 HD22 LEU 77 HD22 LEU 77 70.111 8.393 -1.089 442 HD23 LEU 77 HD23 LEU 77 70.523 7.033 -2.134 443 H LEU 78 H LEU 78 69.229 12.012 -5.191 444 HA LEU 78 HA LEU 78 69.086 9.932 -7.084 445 HB2 LEU 78 HB2 LEU 78 68.139 12.796 -7.372 446 HB3 LEU 78 HB3 LEU 78 67.600 11.425 -8.340 447 HG LEU 78 HG LEU 78 67.289 11.632 -5.331 448 HD11 LEU 78 HD11 LEU 78 65.888 13.267 -6.578 449 HD12 LEU 78 HD12 LEU 78 64.915 12.019 -5.801 450 HD13 LEU 78 HD13 LEU 78 65.227 11.942 -7.535 451 HD21 LEU 78 HD21 LEU 78 67.289 9.339 -5.823 452 HD22 LEU 78 HD22 LEU 78 66.565 9.582 -7.414 453 HD23 LEU 78 HD23 LEU 78 65.577 9.742 -5.962 454 H ASP 79 H ASP 79 70.563 13.158 -7.275 455 HA ASP 79 HA ASP 79 71.388 12.995 -9.965 456 HB2 ASP 79 HB2 ASP 79 72.586 14.542 -7.655 457 HB3 ASP 79 HB3 ASP 79 73.003 14.789 -9.349 458 H ASN 80 H ASN 80 73.021 12.066 -6.958 459 HA ASN 80 HA ASN 80 75.518 11.421 -8.060 460 HB2 ASN 80 HB2 ASN 80 74.885 11.565 -5.598 461 HB3 ASN 80 HB3 ASN 80 74.228 9.938 -5.769 462 HD21 ASN 80 HD21 ASN 80 75.934 9.175 -4.252 463 HD22 ASN 80 HD22 ASN 80 77.522 8.954 -4.811 464 H LEU 81 H LEU 81 72.662 9.341 -7.541 465 HA LEU 81 HA LEU 81 73.803 6.940 -8.439 466 HB2 LEU 81 HB2 LEU 81 70.924 7.857 -8.622 467 HB3 LEU 81 HB3 LEU 81 71.479 6.195 -8.810 468 HG LEU 81 HG LEU 81 71.946 7.870 -6.327 469 HD11 LEU 81 HD11 LEU 81 70.222 6.303 -5.337 470 HD12 LEU 81 HD12 LEU 81 69.850 5.782 -6.981 471 HD13 LEU 81 HD13 LEU 81 69.576 7.458 -6.502 472 HD21 LEU 81 HD21 LEU 81 72.470 4.996 -7.096 473 HD22 LEU 81 HD22 LEU 81 72.350 5.492 -5.408 474 HD23 LEU 81 HD23 LEU 81 73.606 6.175 -6.441 475 H LEU 82 H LEU 82 72.307 9.595 -10.248 476 HA LEU 82 HA LEU 82 72.247 8.188 -12.735 477 HB2 LEU 82 HB2 LEU 82 72.340 11.176 -12.216 478 HB3 LEU 82 HB3 LEU 82 71.936 10.417 -13.756 479 HG LEU 82 HG LEU 82 70.406 9.979 -11.174 480 HD11 LEU 82 HD11 LEU 82 68.631 11.278 -12.555 481 HD12 LEU 82 HD12 LEU 82 70.000 11.837 -13.515 482 HD13 LEU 82 HD13 LEU 82 69.922 12.205 -11.792 483 HD21 LEU 82 HD21 LEU 82 70.029 8.081 -12.511 484 HD22 LEU 82 HD22 LEU 82 70.129 9.003 -14.012 485 HD23 LEU 82 HD23 LEU 82 68.706 9.149 -12.980 486 H THR 83 H THR 83 74.626 10.432 -11.309 487 HA THR 83 HA THR 83 76.414 10.464 -13.466 488 HB THR 83 HB THR 83 77.129 10.580 -10.530 489 HG1 THR 83 HG1 THR 83 76.334 12.590 -12.284 490 HG21 THR 83 HG21 THR 83 78.934 12.099 -11.455 491 HG22 THR 83 HG22 THR 83 78.466 11.553 -13.065 492 HG23 THR 83 HG23 THR 83 79.100 10.399 -11.893 493 H LYS 84 H LYS 84 75.945 8.066 -10.942 494 HA LYS 84 HA LYS 84 78.324 6.568 -11.650 495 HB2 LYS 84 HB2 LYS 84 76.037 5.802 -9.825 496 HB3 LYS 84 HB3 LYS 84 77.589 4.976 -9.951 497 HG2 LYS 84 HG2 LYS 84 77.232 7.869 -9.112 498 HG3 LYS 84 HG3 LYS 84 77.494 6.523 -8.003 499 HD2 LYS 84 HD2 LYS 84 79.640 6.029 -9.236 500 HD3 LYS 84 HD3 LYS 84 79.398 7.530 -10.133 501 HE2 LYS 84 HE2 LYS 84 79.530 8.852 -8.143 502 HE3 LYS 84 HE3 LYS 84 79.443 7.425 -7.111 503 HZ1 LYS 84 HZ1 LYS 84 81.723 8.553 -7.695 504 HZ2 LYS 84 HZ2 LYS 84 81.604 7.573 -9.077 505 HZ3 LYS 84 HZ3 LYS 84 81.591 6.869 -7.531 506 H ASN 85 H ASN 85 75.446 6.851 -13.249 507 HA ASN 85 HA ASN 85 74.310 5.572 -14.755 508 HB2 ASN 85 HB2 ASN 85 76.857 3.932 -14.740 509 HB3 ASN 85 HB3 ASN 85 75.588 3.860 -15.959 510 HD21 ASN 85 HD21 ASN 85 78.404 4.682 -16.400 511 HD22 ASN 85 HD22 ASN 85 78.342 6.278 -16.974 512 H VAL 86 H VAL 86 73.799 5.070 -12.028 513 HA VAL 86 HA VAL 86 73.430 2.158 -11.890 514 HB VAL 86 HB VAL 86 72.868 4.295 -9.816 515 HG11 VAL 86 HG11 VAL 86 72.827 2.329 -8.270 516 HG12 VAL 86 HG12 VAL 86 72.932 1.265 -9.673 517 HG13 VAL 86 HG13 VAL 86 71.519 2.296 -9.452 518 HG21 VAL 86 HG21 VAL 86 75.301 3.954 -10.493 519 HG22 VAL 86 HG22 VAL 86 75.144 2.297 -9.911 520 HG23 VAL 86 HG23 VAL 86 74.944 3.646 -8.794 521 H LYS 87 H LYS 87 71.390 1.203 -11.856 522 HA LYS 87 HA LYS 87 69.315 2.604 -13.248 523 HB2 LYS 87 HB2 LYS 87 69.680 0.125 -13.379 524 HB3 LYS 87 HB3 LYS 87 69.104 -0.002 -11.716 525 HG2 LYS 87 HG2 LYS 87 66.966 1.072 -12.402 526 HG3 LYS 87 HG3 LYS 87 67.537 1.091 -14.071 527 HD2 LYS 87 HD2 LYS 87 67.809 -1.400 -13.947 528 HD3 LYS 87 HD3 LYS 87 67.060 -1.357 -12.351 529 HE2 LYS 87 HE2 LYS 87 65.016 -0.419 -13.280 530 HE3 LYS 87 HE3 LYS 87 65.758 -0.299 -14.875 531 HZ1 LYS 87 HZ1 LYS 87 64.793 -2.656 -13.444 532 HZ2 LYS 87 HZ2 LYS 87 66.162 -2.847 -14.431 533 HZ3 LYS 87 HZ3 LYS 87 64.706 -2.280 -15.096 534 H VAL 88 H VAL 88 67.479 3.574 -12.469 535 HA VAL 88 HA VAL 88 67.206 3.725 -9.519 536 HB VAL 88 HB VAL 88 66.886 6.033 -11.458 537 HG11 VAL 88 HG11 VAL 88 66.769 7.357 -9.333 538 HG12 VAL 88 HG12 VAL 88 66.739 5.840 -8.434 539 HG13 VAL 88 HG13 VAL 88 65.415 6.243 -9.527 540 HG21 VAL 88 HG21 VAL 88 69.212 5.731 -11.309 541 HG22 VAL 88 HG22 VAL 88 69.125 5.157 -9.644 542 HG23 VAL 88 HG23 VAL 88 68.890 6.869 -10.000 543 H VAL 89 H VAL 89 65.249 3.376 -8.763 544 HA VAL 89 HA VAL 89 62.929 3.551 -10.605 545 HB VAL 89 HB VAL 89 63.252 1.579 -8.331 546 HG11 VAL 89 HG11 VAL 89 61.282 0.518 -9.530 547 HG12 VAL 89 HG12 VAL 89 61.179 1.990 -10.495 548 HG13 VAL 89 HG13 VAL 89 60.942 2.063 -8.749 549 HG21 VAL 89 HG21 VAL 89 64.756 0.726 -9.900 550 HG22 VAL 89 HG22 VAL 89 63.847 1.364 -11.270 551 HG23 VAL 89 HG23 VAL 89 63.253 -0.049 -10.399 552 H GLY 90 H GLY 90 61.156 4.642 -9.814 553 HA2 GLY 90 HA2 GLY 90 61.248 5.502 -6.974 554 HA3 GLY 90 HA3 GLY 90 60.874 6.632 -8.270 555 H GLU 91 H GLU 91 59.417 5.125 -5.865 556 HA GLU 91 HA GLU 91 56.868 5.232 -7.238 557 HB2 GLU 91 HB2 GLU 91 57.997 2.690 -6.112 558 HB3 GLU 91 HB3 GLU 91 56.253 2.953 -6.134 559 HG2 GLU 91 HG2 GLU 91 56.518 3.539 -8.610 560 HG3 GLU 91 HG3 GLU 91 58.147 2.876 -8.488 561 HA PRO 92 HA PRO 92 56.088 7.066 -3.204 562 HB2 PRO 92 HB2 PRO 92 53.204 6.500 -3.650 563 HB3 PRO 92 HB3 PRO 92 54.019 8.042 -3.322 564 HG2 PRO 92 HG2 PRO 92 53.067 7.442 -5.735 565 HG3 PRO 92 HG3 PRO 92 54.553 8.387 -5.519 566 HD2 PRO 92 HD2 PRO 92 54.253 5.511 -6.299 567 HD3 PRO 92 HD3 PRO 92 55.440 6.715 -6.849 568 HA PRO 93 HA PRO 93 55.775 3.533 -0.461 569 HB2 PRO 93 HB2 PRO 93 54.285 5.343 1.393 570 HB3 PRO 93 HB3 PRO 93 55.707 4.325 1.709 571 HG2 PRO 93 HG2 PRO 93 55.986 6.928 1.470 572 HG3 PRO 93 HG3 PRO 93 57.167 5.830 0.726 573 HD2 PRO 93 HD2 PRO 93 54.945 7.362 -0.593 574 HD3 PRO 93 HD3 PRO 93 56.601 7.058 -1.169 575 H GLU 94 H GLU 94 54.297 1.918 -0.015 576 HA GLU 94 HA GLU 94 51.460 2.485 -0.657 577 HB2 GLU 94 HB2 GLU 94 53.022 -0.101 -0.876 578 HB3 GLU 94 HB3 GLU 94 51.304 0.086 -1.233 579 HG2 GLU 94 HG2 GLU 94 51.876 1.795 -2.949 580 HG3 GLU 94 HG3 GLU 94 53.583 1.513 -2.632 581 H GLU 95 H GLU 95 49.846 1.499 0.623 582 HA GLU 95 HA GLU 95 50.758 0.508 3.263 583 HB2 GLU 95 HB2 GLU 95 49.807 2.926 3.131 584 HB3 GLU 95 HB3 GLU 95 48.247 2.126 2.933 585 HG2 GLU 95 HG2 GLU 95 48.556 0.909 5.020 586 HG3 GLU 95 HG3 GLU 95 50.176 1.578 5.205 587 HA PRO 96 HA PRO 96 48.064 -2.705 1.194 588 HB2 PRO 96 HB2 PRO 96 49.500 -4.299 3.270 589 HB3 PRO 96 HB3 PRO 96 49.132 -4.709 1.583 590 HG2 PRO 96 HG2 PRO 96 51.577 -3.986 2.333 591 HG3 PRO 96 HG3 PRO 96 50.907 -3.516 0.760 592 HD2 PRO 96 HD2 PRO 96 51.355 -1.842 3.180 593 HD3 PRO 96 HD3 PRO 96 51.357 -1.377 1.467 594 H LEU 97 H LEU 97 48.467 -1.567 4.459 595 HA LEU 97 HA LEU 97 46.178 -3.103 5.444 596 HB2 LEU 97 HB2 LEU 97 48.256 -2.789 6.826 597 HB3 LEU 97 HB3 LEU 97 47.869 -1.070 6.915 598 HG LEU 97 HG LEU 97 45.597 -1.750 7.830 599 HD11 LEU 97 HD11 LEU 97 47.010 -4.409 7.765 600 HD12 LEU 97 HD12 LEU 97 45.367 -4.019 7.254 601 HD13 LEU 97 HD13 LEU 97 45.765 -4.086 8.971 602 HD21 LEU 97 HD21 LEU 97 47.885 -2.709 9.556 603 HD22 LEU 97 HD22 LEU 97 46.415 -1.876 10.061 604 HD23 LEU 97 HD23 LEU 97 47.664 -1.002 9.173 605 H GLU 98 H GLU 98 44.176 -2.310 5.478 606 HA GLU 98 HA GLU 98 43.504 0.135 4.259 607 HB2 GLU 98 HB2 GLU 98 41.877 -1.637 6.095 608 HB3 GLU 98 HB3 GLU 98 41.219 -0.316 5.127 609 HG2 GLU 98 HG2 GLU 98 42.097 -1.418 3.077 610 HG3 GLU 98 HG3 GLU 98 42.659 -2.761 4.063 611 H HIS 99 H HIS 99 43.964 -0.712 7.661 612 HA HIS 99 HA HIS 99 43.228 2.030 8.446 613 HB2 HIS 99 HB2 HIS 99 43.743 -0.452 10.088 614 HB3 HIS 99 HB3 HIS 99 43.356 1.121 10.757 615 HD1 HIS 99 HD1 HIS 99 41.852 -1.814 9.001 616 HD2 HIS 99 HD2 HIS 99 40.615 1.897 10.442 617 HE1 HIS 99 HE1 HIS 99 39.322 -1.841 8.967 618 H HIS 100 H HIS 100 44.757 3.490 8.791 619 HA HIS 100 HA HIS 100 47.501 3.038 8.498 620 HB2 HIS 100 HB2 HIS 100 46.070 5.263 9.948 621 HB3 HIS 100 HB3 HIS 100 47.771 5.281 9.521 622 HD1 HIS 100 HD1 HIS 100 44.341 5.654 8.085 623 HD2 HIS 100 HD2 HIS 100 48.284 5.701 6.733 624 HE1 HIS 100 HE1 HIS 100 44.278 6.574 5.729 625 H HIS 101 H HIS 101 45.476 2.802 11.363 626 HA HIS 101 HA HIS 101 47.892 2.310 13.008 627 HB2 HIS 101 HB2 HIS 101 45.123 3.201 13.816 628 HB3 HIS 101 HB3 HIS 101 46.411 2.809 14.938 629 HD1 HIS 101 HD1 HIS 101 45.237 5.441 12.562 630 HD2 HIS 101 HD2 HIS 101 48.490 4.779 15.085 631 HE1 HIS 101 HE1 HIS 101 46.467 7.646 12.738 632 H HIS 102 H HIS 102 48.217 0.319 13.743 633 HA HIS 102 HA HIS 102 46.615 -1.887 13.091 634 HB2 HIS 102 HB2 HIS 102 48.638 -1.556 15.306 635 HB3 HIS 102 HB3 HIS 102 47.954 -3.091 14.808 636 HD1 HIS 102 HD1 HIS 102 50.411 -0.463 13.797 637 HD2 HIS 102 HD2 HIS 102 48.948 -4.071 12.308 638 HE1 HIS 102 HE1 HIS 102 51.952 -1.133 11.905 639 H HIS 103 H HIS 103 46.642 0.168 15.967 640 HA HIS 103 HA HIS 103 45.083 -1.396 17.675 641 HB2 HIS 103 HB2 HIS 103 46.280 0.685 18.303 642 HB3 HIS 103 HB3 HIS 103 45.073 1.612 17.431 643 HD1 HIS 103 HD1 HIS 103 45.010 -1.061 20.167 644 HD2 HIS 103 HD2 HIS 103 43.169 2.545 19.174 645 HE1 HIS 103 HE1 HIS 103 43.390 -0.545 22.042 646 H HIS 104 H HIS 104 44.104 0.674 14.990 647 HA HIS 104 HA HIS 104 41.439 -0.521 15.108 648 HB2 HIS 104 HB2 HIS 104 42.012 2.410 15.397 649 HB3 HIS 104 HB3 HIS 104 40.525 1.866 14.645 650 HD1 HIS 104 HD1 HIS 104 41.951 2.675 17.861 651 HD2 HIS 104 HD2 HIS 104 39.001 0.052 16.520 652 HE1 HIS 104 HE1 HIS 104 40.573 2.050 19.890 Start of MODEL 11 1 H1 MET 23 HT1 MET 23 56.694 -10.796 2.945 2 H2 MET 23 HT2 MET 23 57.472 -12.270 3.274 3 H3 MET 23 HT3 MET 23 56.957 -11.913 1.695 4 HA MET 23 HA MET 23 59.238 -11.525 1.632 5 HB2 MET 23 HB2 MET 23 57.797 -8.921 2.214 6 HB3 MET 23 HB3 MET 23 59.395 -9.032 1.474 7 HG2 MET 23 HG2 MET 23 58.419 -10.415 -0.353 8 HG3 MET 23 HG3 MET 23 56.822 -10.189 0.361 9 HE1 MET 23 HE1 MET 23 55.995 -8.062 -2.357 10 HE2 MET 23 HE2 MET 23 56.291 -9.721 -1.842 11 HE3 MET 23 HE3 MET 23 57.451 -8.910 -2.891 12 H ALA 24 H ALA 24 57.772 -10.022 4.498 13 HA ALA 24 HA ALA 24 60.159 -9.300 5.805 14 HB1 ALA 24 HB1 ALA 24 58.835 -8.977 7.738 15 HB2 ALA 24 HB2 ALA 24 57.652 -10.182 7.229 16 HB3 ALA 24 HB3 ALA 24 57.754 -8.636 6.387 17 H SER 25 H SER 25 58.332 -12.332 5.774 18 HA SER 25 HA SER 25 59.690 -13.652 7.851 19 HB2 SER 25 HB2 SER 25 58.813 -15.697 6.900 20 HB3 SER 25 HB3 SER 25 57.588 -14.439 6.767 21 HG SER 25 HG SER 25 57.775 -15.360 4.794 22 H GLU 26 H GLU 26 60.598 -13.112 4.490 23 HA GLU 26 HA GLU 26 62.607 -15.117 4.346 24 HB2 GLU 26 HB2 GLU 26 62.301 -12.534 2.797 25 HB3 GLU 26 HB3 GLU 26 63.409 -13.841 2.380 26 HG2 GLU 26 HG2 GLU 26 60.398 -14.110 2.598 27 HG3 GLU 26 HG3 GLU 26 61.296 -13.979 1.091 28 H SER 27 H SER 27 64.461 -15.200 5.407 29 HA SER 27 HA SER 27 65.532 -13.172 7.013 30 HB2 SER 27 HB2 SER 27 66.097 -15.585 7.199 31 HB3 SER 27 HB3 SER 27 67.029 -15.453 5.710 32 HG SER 27 HG SER 27 67.761 -14.829 8.146 33 H ASN 28 H ASN 28 65.931 -13.767 3.578 34 HA ASN 28 HA ASN 28 68.337 -12.436 3.091 35 HB2 ASN 28 HB2 ASN 28 66.922 -13.777 1.452 36 HB3 ASN 28 HB3 ASN 28 65.938 -12.327 1.263 37 HD21 ASN 28 HD21 ASN 28 66.673 -12.174 -1.014 38 HD22 ASN 28 HD22 ASN 28 68.228 -11.593 -1.369 39 H GLY 29 H GLY 29 68.878 -10.319 2.644 40 HA2 GLY 29 HA2 GLY 29 68.189 -8.016 2.165 41 HA3 GLY 29 HA3 GLY 29 66.825 -8.265 3.250 42 H ARG 30 H ARG 30 70.382 -8.318 3.208 43 HA ARG 30 HA ARG 30 70.761 -8.231 6.010 44 HB2 ARG 30 HB2 ARG 30 72.524 -7.183 3.780 45 HB3 ARG 30 HB3 ARG 30 73.031 -7.391 5.456 46 HG2 ARG 30 HG2 ARG 30 72.461 -9.811 5.298 47 HG3 ARG 30 HG3 ARG 30 72.070 -9.579 3.593 48 HD2 ARG 30 HD2 ARG 30 74.406 -8.694 3.258 49 HD3 ARG 30 HD3 ARG 30 74.763 -9.174 4.915 50 HE ARG 30 HE ARG 30 73.806 -11.465 3.869 51 HH11 ARG 30 HH11 ARG 30 76.227 -9.237 2.643 52 HH12 ARG 30 HH12 ARG 30 77.088 -10.482 1.800 53 HH21 ARG 30 HH21 ARG 30 74.956 -13.023 2.764 54 HH22 ARG 30 HH22 ARG 30 76.376 -12.597 1.868 55 H LYS 31 H LYS 31 71.114 -6.490 7.433 56 HA LYS 31 HA LYS 31 69.775 -4.020 6.715 57 HB2 LYS 31 HB2 LYS 31 69.610 -5.013 9.005 58 HB3 LYS 31 HB3 LYS 31 71.324 -4.671 9.229 59 HG2 LYS 31 HG2 LYS 31 70.194 -2.829 10.216 60 HG3 LYS 31 HG3 LYS 31 70.757 -2.237 8.654 61 HD2 LYS 31 HD2 LYS 31 68.552 -2.612 7.674 62 HD3 LYS 31 HD3 LYS 31 67.974 -3.319 9.184 63 HE2 LYS 31 HE2 LYS 31 67.231 -1.019 9.117 64 HE3 LYS 31 HE3 LYS 31 68.511 -1.139 10.323 65 HZ1 LYS 31 HZ1 LYS 31 70.079 -0.253 8.796 66 HZ2 LYS 31 HZ2 LYS 31 68.726 0.773 8.773 67 HZ3 LYS 31 HZ3 LYS 31 68.978 -0.331 7.507 68 H VAL 32 H VAL 32 70.679 -2.124 6.193 69 HA VAL 32 HA VAL 32 73.605 -1.826 6.427 70 HB VAL 32 HB VAL 32 72.005 -1.243 3.924 71 HG11 VAL 32 HG11 VAL 32 73.895 0.335 4.324 72 HG12 VAL 32 HG12 VAL 32 74.175 -0.702 2.924 73 HG13 VAL 32 HG13 VAL 32 74.988 -1.044 4.452 74 HG21 VAL 32 HG21 VAL 32 73.948 -3.425 4.707 75 HG22 VAL 32 HG22 VAL 32 73.614 -3.033 3.020 76 HG23 VAL 32 HG23 VAL 32 72.314 -3.602 4.068 77 H ASP 33 H ASP 33 74.226 0.056 7.196 78 HA ASP 33 HA ASP 33 72.378 2.173 7.791 79 HB2 ASP 33 HB2 ASP 33 75.397 2.009 7.982 80 HB3 ASP 33 HB3 ASP 33 74.429 3.334 8.619 81 H TYR 34 H TYR 34 72.335 4.277 6.889 82 HA TYR 34 HA TYR 34 72.541 4.494 4.127 83 HB2 TYR 34 HB2 TYR 34 71.205 6.021 5.440 84 HB3 TYR 34 HB3 TYR 34 72.628 6.630 6.257 85 HD1 TYR 34 HD1 TYR 34 72.203 5.971 2.605 86 HD2 TYR 34 HD2 TYR 34 72.577 8.924 5.700 87 HE1 TYR 34 HE1 TYR 34 72.439 7.745 0.888 88 HE2 TYR 34 HE2 TYR 34 72.798 10.699 3.982 89 HH TYR 34 HH TYR 34 72.589 11.115 1.733 90 H SER 35 H SER 35 74.966 5.263 6.602 91 HA SER 35 HA SER 35 76.799 6.610 4.953 92 HB2 SER 35 HB2 SER 35 78.449 6.111 6.654 93 HB3 SER 35 HB3 SER 35 76.918 6.474 7.444 94 HG SER 35 HG SER 35 78.336 4.248 7.522 95 H THR 36 H THR 36 76.356 3.156 5.613 96 HA THR 36 HA THR 36 78.704 2.287 4.247 97 HB THR 36 HB THR 36 76.153 0.735 4.746 98 HG1 THR 36 HG1 THR 36 76.787 1.064 6.706 99 HG21 THR 36 HG21 THR 36 77.561 -0.430 3.194 100 HG22 THR 36 HG22 THR 36 77.818 -1.182 4.769 101 HG23 THR 36 HG23 THR 36 79.008 -0.049 4.127 102 H PHE 37 H PHE 37 75.321 2.698 3.258 103 HA PHE 37 HA PHE 37 75.518 1.614 0.693 104 HB2 PHE 37 HB2 PHE 37 73.385 2.198 1.666 105 HB3 PHE 37 HB3 PHE 37 73.822 3.893 1.711 106 HD1 PHE 37 HD2 PHE 37 72.741 1.091 -0.430 107 HD2 PHE 37 HD1 PHE 37 73.790 5.255 -0.306 108 HE1 PHE 37 HE2 PHE 37 71.777 1.407 -2.695 109 HE2 PHE 37 HE1 PHE 37 72.827 5.567 -2.570 110 HZ PHE 37 HZ PHE 37 71.819 3.643 -3.763 111 H LEU 38 H LEU 38 76.204 4.942 1.791 112 HA LEU 38 HA LEU 38 76.629 6.047 -0.754 113 HB2 LEU 38 HB2 LEU 38 77.889 6.812 1.891 114 HB3 LEU 38 HB3 LEU 38 77.898 7.808 0.435 115 HG LEU 38 HG LEU 38 75.375 6.813 1.789 116 HD11 LEU 38 HD11 LEU 38 76.196 8.348 3.347 117 HD12 LEU 38 HD12 LEU 38 75.245 9.391 2.290 118 HD13 LEU 38 HD13 LEU 38 76.999 9.320 2.115 119 HD21 LEU 38 HD21 LEU 38 75.993 8.618 -0.545 120 HD22 LEU 38 HD22 LEU 38 74.493 8.813 0.360 121 HD23 LEU 38 HD23 LEU 38 74.839 7.288 -0.454 122 H GLN 39 H GLN 39 78.876 4.433 1.469 123 HA GLN 39 HA GLN 39 81.222 4.885 -0.035 124 HB2 GLN 39 HB2 GLN 39 81.173 4.021 2.309 125 HB3 GLN 39 HB3 GLN 39 80.607 2.470 1.686 126 HG2 GLN 39 HG2 GLN 39 82.630 2.263 0.310 127 HG3 GLN 39 HG3 GLN 39 83.194 3.830 0.880 128 HE21 GLN 39 HE21 GLN 39 84.908 1.740 1.342 129 HE22 GLN 39 HE22 GLN 39 84.886 1.286 2.978 130 H GLU 40 H GLU 40 78.866 2.229 -0.138 131 HA GLU 40 HA GLU 40 80.229 0.643 -2.016 132 HB2 GLU 40 HB2 GLU 40 77.266 0.870 -1.463 133 HB3 GLU 40 HB3 GLU 40 78.015 -0.403 -2.429 134 HG2 GLU 40 HG2 GLU 40 79.442 -0.998 -0.475 135 HG3 GLU 40 HG3 GLU 40 78.594 0.206 0.482 136 H VAL 41 H VAL 41 77.852 3.239 -2.461 137 HA VAL 41 HA VAL 41 77.561 3.078 -5.231 138 HB VAL 41 HB VAL 41 77.550 5.543 -3.467 139 HG11 VAL 41 HG11 VAL 41 76.450 5.059 -6.252 140 HG12 VAL 41 HG12 VAL 41 77.746 6.173 -5.813 141 HG13 VAL 41 HG13 VAL 41 76.094 6.482 -5.271 142 HG21 VAL 41 HG21 VAL 41 75.268 5.145 -3.109 143 HG22 VAL 41 HG22 VAL 41 75.938 3.516 -3.039 144 HG23 VAL 41 HG23 VAL 41 75.134 4.075 -4.503 145 H ASN 42 H ASN 42 79.937 4.921 -3.310 146 HA ASN 42 HA ASN 42 81.362 6.057 -5.437 147 HB2 ASN 42 HB2 ASN 42 82.319 5.176 -2.707 148 HB3 ASN 42 HB3 ASN 42 83.256 6.178 -3.816 149 HD21 ASN 42 HD21 ASN 42 81.347 6.484 -1.143 150 HD22 ASN 42 HD22 ASN 42 80.682 8.018 -1.437 151 H ASN 43 H ASN 43 81.527 2.833 -4.049 152 HA ASN 43 HA ASN 43 83.866 2.103 -5.617 153 HB2 ASN 43 HB2 ASN 43 82.070 0.484 -3.807 154 HB3 ASN 43 HB3 ASN 43 83.508 -0.146 -4.605 155 HD21 ASN 43 HD21 ASN 43 83.205 0.022 -1.714 156 HD22 ASN 43 HD22 ASN 43 84.375 1.112 -1.147 157 H ASP 44 H ASP 44 80.861 2.607 -6.687 158 HA ASP 44 HA ASP 44 79.551 1.793 -8.379 159 HB2 ASP 44 HB2 ASP 44 81.803 2.328 -9.465 160 HB3 ASP 44 HB3 ASP 44 82.099 0.590 -9.449 161 H GLN 45 H GLN 45 79.766 0.045 -6.063 162 HA GLN 45 HA GLN 45 79.714 -2.634 -7.227 163 HB2 GLN 45 HB2 GLN 45 79.354 -1.705 -4.370 164 HB3 GLN 45 HB3 GLN 45 79.352 -3.389 -4.893 165 HG2 GLN 45 HG2 GLN 45 81.638 -1.437 -5.290 166 HG3 GLN 45 HG3 GLN 45 81.579 -2.699 -4.062 167 HE21 GLN 45 HE21 GLN 45 82.920 -2.083 -7.014 168 HE22 GLN 45 HE22 GLN 45 83.020 -3.665 -7.622 169 H VAL 46 H VAL 46 77.442 -0.146 -6.350 170 HA VAL 46 HA VAL 46 75.205 -1.970 -6.061 171 HB VAL 46 HB VAL 46 75.215 1.048 -6.350 172 HG11 VAL 46 HG11 VAL 46 73.118 -0.956 -5.477 173 HG12 VAL 46 HG12 VAL 46 73.024 0.173 -6.828 174 HG13 VAL 46 HG13 VAL 46 72.985 0.775 -5.171 175 HG21 VAL 46 HG21 VAL 46 76.456 0.529 -4.374 176 HG22 VAL 46 HG22 VAL 46 75.358 -0.783 -3.944 177 HG23 VAL 46 HG23 VAL 46 74.821 0.892 -3.823 178 H ARG 47 H ARG 47 73.686 -2.478 -7.583 179 HA ARG 47 HA ARG 47 74.249 -1.585 -10.342 180 HB2 ARG 47 HB2 ARG 47 74.342 -4.026 -9.858 181 HB3 ARG 47 HB3 ARG 47 72.644 -3.966 -9.386 182 HG2 ARG 47 HG2 ARG 47 72.069 -3.107 -11.646 183 HG3 ARG 47 HG3 ARG 47 73.764 -3.256 -12.114 184 HD2 ARG 47 HD2 ARG 47 73.660 -5.689 -11.561 185 HD3 ARG 47 HD3 ARG 47 71.938 -5.508 -11.235 186 HE ARG 47 HE ARG 47 72.370 -4.486 -13.785 187 HH11 ARG 47 HH11 ARG 47 72.721 -7.605 -12.214 188 HH12 ARG 47 HH12 ARG 47 72.442 -8.487 -13.679 189 HH21 ARG 47 HH21 ARG 47 72.018 -5.675 -15.639 190 HH22 ARG 47 HH22 ARG 47 72.049 -7.405 -15.593 191 H GLU 48 H GLU 48 71.574 -2.238 -8.090 192 HA GLU 48 HA GLU 48 69.898 -0.320 -9.595 193 HB2 GLU 48 HB2 GLU 48 69.317 -2.669 -10.206 194 HB3 GLU 48 HB3 GLU 48 68.954 -2.983 -8.509 195 HG2 GLU 48 HG2 GLU 48 67.277 -1.153 -8.555 196 HG3 GLU 48 HG3 GLU 48 67.596 -0.922 -10.268 197 H ALA 49 H ALA 49 68.630 1.000 -8.366 198 HA ALA 49 HA ALA 49 68.354 0.401 -5.491 199 HB1 ALA 49 HB1 ALA 49 70.205 2.093 -5.980 200 HB2 ALA 49 HB2 ALA 49 68.953 2.606 -4.848 201 HB3 ALA 49 HB3 ALA 49 68.925 3.181 -6.515 202 H ARG 50 H ARG 50 66.265 0.203 -5.117 203 HA ARG 50 HA ARG 50 64.303 1.816 -6.586 204 HB2 ARG 50 HB2 ARG 50 64.017 -0.446 -4.589 205 HB3 ARG 50 HB3 ARG 50 62.657 0.401 -5.320 206 HG2 ARG 50 HG2 ARG 50 63.468 -0.259 -7.567 207 HG3 ARG 50 HG3 ARG 50 64.804 -1.133 -6.816 208 HD2 ARG 50 HD2 ARG 50 63.078 -2.743 -7.290 209 HD3 ARG 50 HD3 ARG 50 63.096 -2.486 -5.547 210 HE ARG 50 HE ARG 50 61.238 -0.800 -7.011 211 HH11 ARG 50 HH11 ARG 50 61.638 -3.829 -5.281 212 HH12 ARG 50 HH12 ARG 50 59.942 -3.988 -4.968 213 HH21 ARG 50 HH21 ARG 50 59.066 -1.060 -6.577 214 HH22 ARG 50 HH22 ARG 50 58.505 -2.440 -5.693 215 H ILE 51 H ILE 51 63.249 3.518 -5.670 216 HA ILE 51 HA ILE 51 63.871 4.159 -2.850 217 HB ILE 51 HB ILE 51 63.081 5.985 -5.136 218 HG12 ILE 51 HG12 ILE 51 65.745 5.700 -3.718 219 HG13 ILE 51 HG13 ILE 51 65.376 4.946 -5.270 220 HG21 ILE 51 HG21 ILE 51 62.342 6.853 -2.965 221 HG22 ILE 51 HG22 ILE 51 63.707 7.798 -3.560 222 HG23 ILE 51 HG23 ILE 51 63.953 6.595 -2.294 223 HD11 ILE 51 HD11 ILE 51 65.506 7.898 -4.625 224 HD12 ILE 51 HD12 ILE 51 64.750 7.285 -6.096 225 HD13 ILE 51 HD13 ILE 51 66.466 7.000 -5.802 226 H ASN 52 H ASN 52 62.257 4.057 -1.431 227 HA ASN 52 HA ASN 52 59.550 4.829 -2.260 228 HB2 ASN 52 HB2 ASN 52 59.765 2.306 -2.298 229 HB3 ASN 52 HB3 ASN 52 60.083 2.380 -0.567 230 HD21 ASN 52 HD21 ASN 52 58.000 1.058 -0.448 231 HD22 ASN 52 HD22 ASN 52 56.524 1.897 -0.454 232 H GLY 53 H GLY 53 59.668 6.733 -1.102 233 HA2 GLY 53 HA2 GLY 53 59.563 8.105 0.743 234 HA3 GLY 53 HA3 GLY 53 59.123 6.667 1.662 235 H ARG 54 H ARG 54 60.401 6.501 3.373 236 HA ARG 54 HA ARG 54 63.051 7.639 3.466 237 HB2 ARG 54 HB2 ARG 54 61.487 7.585 5.423 238 HB3 ARG 54 HB3 ARG 54 61.696 5.837 5.478 239 HG2 ARG 54 HG2 ARG 54 64.128 6.140 5.800 240 HG3 ARG 54 HG3 ARG 54 63.902 7.892 5.786 241 HD2 ARG 54 HD2 ARG 54 62.350 7.667 7.722 242 HD3 ARG 54 HD3 ARG 54 62.696 5.941 7.766 243 HE ARG 54 HE ARG 54 65.166 7.083 7.905 244 HH11 ARG 54 HH11 ARG 54 62.233 7.555 9.778 245 HH12 ARG 54 HH12 ARG 54 63.101 7.955 11.222 246 HH21 ARG 54 HH21 ARG 54 66.226 7.599 9.799 247 HH22 ARG 54 HH22 ARG 54 65.332 7.982 11.232 248 H GLU 55 H GLU 55 61.804 4.534 2.549 249 HA GLU 55 HA GLU 55 64.317 3.200 3.311 250 HB2 GLU 55 HB2 GLU 55 61.660 2.065 2.407 251 HB3 GLU 55 HB3 GLU 55 63.075 1.111 2.855 252 HG2 GLU 55 HG2 GLU 55 63.041 2.171 5.106 253 HG3 GLU 55 HG3 GLU 55 61.578 3.036 4.655 254 H ILE 56 H ILE 56 65.706 2.416 1.827 255 HA ILE 56 HA ILE 56 64.889 2.414 -1.023 256 HB ILE 56 HB ILE 56 67.681 2.807 0.099 257 HG12 ILE 56 HG12 ILE 56 65.909 4.821 -1.312 258 HG13 ILE 56 HG13 ILE 56 66.067 4.735 0.442 259 HG21 ILE 56 HG21 ILE 56 68.346 3.179 -2.181 260 HG22 ILE 56 HG22 ILE 56 66.673 3.164 -2.736 261 HG23 ILE 56 HG23 ILE 56 67.427 1.674 -2.167 262 HD11 ILE 56 HD11 ILE 56 67.599 6.413 -0.681 263 HD12 ILE 56 HD12 ILE 56 68.442 5.050 -1.414 264 HD13 ILE 56 HD13 ILE 56 68.416 5.231 0.339 265 H ASN 57 H ASN 57 64.955 0.455 -1.983 266 HA ASN 57 HA ASN 57 66.268 -1.762 -0.524 267 HB2 ASN 57 HB2 ASN 57 64.237 -1.844 -2.779 268 HB3 ASN 57 HB3 ASN 57 64.895 -3.244 -1.934 269 HD21 ASN 57 HD21 ASN 57 64.822 -2.379 0.740 270 HD22 ASN 57 HD22 ASN 57 63.212 -2.095 1.197 271 H VAL 58 H VAL 58 68.066 -2.704 -1.401 272 HA VAL 58 HA VAL 58 68.969 -1.607 -4.008 273 HB VAL 58 HB VAL 58 70.666 -2.095 -1.555 274 HG11 VAL 58 HG11 VAL 58 72.098 -2.298 -3.402 275 HG12 VAL 58 HG12 VAL 58 72.228 -0.582 -3.011 276 HG13 VAL 58 HG13 VAL 58 71.203 -1.107 -4.347 277 HG21 VAL 58 HG21 VAL 58 69.884 0.571 -2.762 278 HG22 VAL 58 HG22 VAL 58 70.744 0.285 -1.249 279 HG23 VAL 58 HG23 VAL 58 69.040 -0.138 -1.387 280 H THR 59 H THR 59 69.829 -2.984 -5.413 281 HA THR 59 HA THR 59 70.507 -5.724 -4.504 282 HB THR 59 HB THR 59 69.692 -4.802 -7.276 283 HG1 THR 59 HG1 THR 59 68.287 -6.234 -5.346 284 HG21 THR 59 HG21 THR 59 69.368 -7.425 -7.375 285 HG22 THR 59 HG22 THR 59 70.573 -7.408 -6.086 286 HG23 THR 59 HG23 THR 59 70.954 -6.709 -7.661 287 H LYS 60 H LYS 60 72.609 -6.192 -4.563 288 HA LYS 60 HA LYS 60 74.482 -4.384 -5.843 289 HB2 LYS 60 HB2 LYS 60 74.873 -6.880 -4.182 290 HB3 LYS 60 HB3 LYS 60 76.185 -5.865 -4.786 291 HG2 LYS 60 HG2 LYS 60 75.342 -3.950 -3.554 292 HG3 LYS 60 HG3 LYS 60 73.918 -4.857 -3.045 293 HD2 LYS 60 HD2 LYS 60 75.467 -4.889 -1.203 294 HD3 LYS 60 HD3 LYS 60 75.477 -6.501 -1.920 295 HE2 LYS 60 HE2 LYS 60 77.774 -5.682 -1.447 296 HE3 LYS 60 HE3 LYS 60 77.517 -5.964 -3.168 297 HZ1 LYS 60 HZ1 LYS 60 76.857 -3.304 -2.221 298 HZ2 LYS 60 HZ2 LYS 60 77.663 -3.789 -3.637 299 HZ3 LYS 60 HZ3 LYS 60 78.505 -3.702 -2.164 300 H LYS 61 H LYS 61 76.157 -5.122 -7.299 301 HA LYS 61 HA LYS 61 75.295 -6.584 -9.502 302 HB2 LYS 61 HB2 LYS 61 78.114 -6.109 -8.512 303 HB3 LYS 61 HB3 LYS 61 77.706 -6.724 -10.114 304 HG2 LYS 61 HG2 LYS 61 76.339 -4.677 -10.515 305 HG3 LYS 61 HG3 LYS 61 76.872 -4.050 -8.955 306 HD2 LYS 61 HD2 LYS 61 79.238 -4.242 -9.735 307 HD3 LYS 61 HD3 LYS 61 78.640 -4.729 -11.322 308 HE2 LYS 61 HE2 LYS 61 77.790 -2.150 -9.991 309 HE3 LYS 61 HE3 LYS 61 79.191 -2.250 -11.058 310 HZ1 LYS 61 HZ1 LYS 61 77.602 -3.318 -12.700 311 HZ2 LYS 61 HZ2 LYS 61 77.424 -1.649 -12.434 312 HZ3 LYS 61 HZ3 LYS 61 76.350 -2.748 -11.708 313 H ASP 62 H ASP 62 76.755 -7.748 -6.521 314 HA ASP 62 HA ASP 62 77.383 -10.355 -7.601 315 HB2 ASP 62 HB2 ASP 62 78.618 -9.115 -5.730 316 HB3 ASP 62 HB3 ASP 62 77.299 -9.634 -4.684 317 H SER 63 H SER 63 74.437 -9.238 -7.254 318 HA SER 63 HA SER 63 72.409 -10.270 -7.124 319 HB2 SER 63 HB2 SER 63 73.696 -12.299 -7.974 320 HB3 SER 63 HB3 SER 63 73.759 -12.829 -6.297 321 HG SER 63 HG SER 63 71.839 -13.532 -6.745 322 H ASN 64 H ASN 64 74.469 -9.906 -4.476 323 HA ASN 64 HA ASN 64 72.754 -10.978 -2.445 324 HB2 ASN 64 HB2 ASN 64 74.951 -8.900 -2.316 325 HB3 ASN 64 HB3 ASN 64 74.157 -9.609 -0.912 326 HD21 ASN 64 HD21 ASN 64 77.000 -9.894 -1.488 327 HD22 ASN 64 HD22 ASN 64 77.294 -11.544 -1.758 328 H ARG 65 H ARG 65 71.118 -9.972 -1.316 329 HA ARG 65 HA ARG 65 70.333 -7.274 -2.271 330 HB2 ARG 65 HB2 ARG 65 68.643 -9.521 -1.150 331 HB3 ARG 65 HB3 ARG 65 68.041 -7.925 -1.604 332 HG2 ARG 65 HG2 ARG 65 68.890 -8.299 -3.917 333 HG3 ARG 65 HG3 ARG 65 69.368 -9.931 -3.449 334 HD2 ARG 65 HD2 ARG 65 66.976 -10.352 -2.774 335 HD3 ARG 65 HD3 ARG 65 66.563 -8.791 -3.478 336 HE ARG 65 HE ARG 65 67.250 -11.225 -4.909 337 HH11 ARG 65 HH11 ARG 65 66.901 -7.739 -5.139 338 HH12 ARG 65 HH12 ARG 65 66.721 -7.770 -6.861 339 HH21 ARG 65 HH21 ARG 65 67.014 -11.202 -7.126 340 HH22 ARG 65 HH22 ARG 65 66.785 -9.707 -7.971 341 H TYR 66 H TYR 66 69.794 -5.696 -0.819 342 HA TYR 66 HA TYR 66 69.614 -6.321 2.013 343 HB2 TYR 66 HB2 TYR 66 71.393 -4.929 2.735 344 HB3 TYR 66 HB3 TYR 66 72.043 -6.036 1.547 345 HD1 TYR 66 HD1 TYR 66 70.996 -2.535 2.169 346 HD2 TYR 66 HD2 TYR 66 73.028 -5.232 -0.487 347 HE1 TYR 66 HE1 TYR 66 71.950 -0.605 0.940 348 HE2 TYR 66 HE2 TYR 66 73.980 -3.300 -1.718 349 HH TYR 66 HH TYR 66 74.455 -0.815 -1.098 350 H THR 67 H THR 67 69.047 -4.398 3.312 351 HA THR 67 HA THR 67 67.574 -2.377 1.725 352 HB THR 67 HB THR 67 66.695 -3.584 4.360 353 HG1 THR 67 HG1 THR 67 66.498 -4.997 2.609 354 HG21 THR 67 HG21 THR 67 64.526 -2.432 3.623 355 HG22 THR 67 HG22 THR 67 65.514 -1.565 2.448 356 HG23 THR 67 HG23 THR 67 65.827 -1.378 4.173 357 H THR 68 H THR 68 67.860 -0.297 2.316 358 HA THR 68 HA THR 68 69.370 0.240 4.816 359 HB THR 68 HB THR 68 70.872 0.428 2.890 360 HG1 THR 68 HG1 THR 68 70.200 2.976 3.742 361 HG21 THR 68 HG21 THR 68 69.017 2.601 1.889 362 HG22 THR 68 HG22 THR 68 69.037 0.961 1.241 363 HG23 THR 68 HG23 THR 68 70.466 1.983 1.097 364 H TYR 69 H TYR 69 68.792 2.021 5.980 365 HA TYR 69 HA TYR 69 66.342 3.419 5.104 366 HB2 TYR 69 HB2 TYR 69 67.604 3.009 7.808 367 HB3 TYR 69 HB3 TYR 69 66.309 4.159 7.537 368 HD1 TYR 69 HD1 TYR 69 67.216 0.557 7.414 369 HD2 TYR 69 HD2 TYR 69 64.041 3.449 7.355 370 HE1 TYR 69 HE1 TYR 69 65.554 -1.262 7.699 371 HE2 TYR 69 HE2 TYR 69 62.379 1.631 7.640 372 HH TYR 69 HH TYR 69 63.288 -1.700 7.506 373 H ILE 70 H ILE 70 66.287 5.638 4.888 374 HA ILE 70 HA ILE 70 68.895 6.952 4.819 375 HB ILE 70 HB ILE 70 66.249 8.122 3.962 376 HG12 ILE 70 HG12 ILE 70 68.289 6.745 2.187 377 HG13 ILE 70 HG13 ILE 70 66.816 5.955 2.751 378 HG21 ILE 70 HG21 ILE 70 68.310 9.571 4.377 379 HG22 ILE 70 HG22 ILE 70 67.596 9.688 2.767 380 HG23 ILE 70 HG23 ILE 70 69.057 8.729 3.019 381 HD11 ILE 70 HD11 ILE 70 66.088 6.817 0.719 382 HD12 ILE 70 HD12 ILE 70 67.123 8.238 0.833 383 HD13 ILE 70 HD13 ILE 70 65.654 8.136 1.804 384 HA PRO 71 HA PRO 71 67.650 8.598 8.927 385 HB2 PRO 71 HB2 PRO 71 69.852 10.343 9.137 386 HB3 PRO 71 HB3 PRO 71 69.737 8.704 9.795 387 HG2 PRO 71 HG2 PRO 71 71.065 9.660 7.342 388 HG3 PRO 71 HG3 PRO 71 71.484 8.310 8.411 389 HD2 PRO 71 HD2 PRO 71 70.347 7.924 5.977 390 HD3 PRO 71 HD3 PRO 71 70.046 6.835 7.341 391 H VAL 72 H VAL 72 68.888 10.683 6.315 392 HA VAL 72 HA VAL 72 66.603 12.474 6.754 393 HB VAL 72 HB VAL 72 69.447 13.445 6.349 394 HG11 VAL 72 HG11 VAL 72 66.836 14.921 6.808 395 HG12 VAL 72 HG12 VAL 72 67.759 14.893 5.305 396 HG13 VAL 72 HG13 VAL 72 68.429 15.675 6.738 397 HG21 VAL 72 HG21 VAL 72 69.347 12.765 8.610 398 HG22 VAL 72 HG22 VAL 72 67.659 13.253 8.774 399 HG23 VAL 72 HG23 VAL 72 68.926 14.477 8.677 400 H GLN 73 H GLN 73 65.720 13.264 4.868 401 HA GLN 73 HA GLN 73 66.162 11.833 2.497 402 HB2 GLN 73 HB2 GLN 73 64.921 14.582 2.788 403 HB3 GLN 73 HB3 GLN 73 64.705 13.481 1.430 404 HG2 GLN 73 HG2 GLN 73 63.862 12.949 4.293 405 HG3 GLN 73 HG3 GLN 73 62.785 13.353 2.960 406 HE21 GLN 73 HE21 GLN 73 63.542 10.760 4.737 407 HE22 GLN 73 HE22 GLN 73 63.485 9.535 3.564 408 H ASP 74 H ASP 74 67.599 12.022 0.903 409 HA ASP 74 HA ASP 74 69.319 14.438 0.828 410 HB2 ASP 74 HB2 ASP 74 70.207 12.038 1.533 411 HB3 ASP 74 HB3 ASP 74 70.271 11.802 -0.210 412 HA PRO 75 HA PRO 75 67.079 14.293 -3.243 413 HB2 PRO 75 HB2 PRO 75 68.092 17.100 -3.250 414 HB3 PRO 75 HB3 PRO 75 66.481 16.480 -3.667 415 HG2 PRO 75 HG2 PRO 75 66.853 17.742 -1.390 416 HG3 PRO 75 HG3 PRO 75 65.837 16.286 -1.448 417 HD2 PRO 75 HD2 PRO 75 68.671 16.555 -0.472 418 HD3 PRO 75 HD3 PRO 75 67.322 15.627 0.231 419 H LYS 76 H LYS 76 70.278 15.449 -2.358 420 HA LYS 76 HA LYS 76 71.379 15.652 -4.970 421 HB2 LYS 76 HB2 LYS 76 72.401 16.651 -2.925 422 HB3 LYS 76 HB3 LYS 76 72.829 15.025 -2.388 423 HG2 LYS 76 HG2 LYS 76 74.126 14.702 -4.487 424 HG3 LYS 76 HG3 LYS 76 73.756 16.365 -4.946 425 HD2 LYS 76 HD2 LYS 76 74.830 17.133 -2.815 426 HD3 LYS 76 HD3 LYS 76 75.321 15.467 -2.511 427 HE2 LYS 76 HE2 LYS 76 76.648 15.422 -4.538 428 HE3 LYS 76 HE3 LYS 76 76.046 17.010 -5.017 429 HZ1 LYS 76 HZ1 LYS 76 76.996 17.670 -2.690 430 HZ2 LYS 76 HZ2 LYS 76 78.013 17.575 -4.048 431 HZ3 LYS 76 HZ3 LYS 76 77.972 16.301 -2.924 432 H LEU 77 H LEU 77 70.817 12.915 -2.859 433 HA LEU 77 HA LEU 77 72.751 11.138 -3.819 434 HB2 LEU 77 HB2 LEU 77 71.302 10.750 -1.829 435 HB3 LEU 77 HB3 LEU 77 69.945 10.450 -2.915 436 HG LEU 77 HG LEU 77 71.353 8.646 -4.008 437 HD11 LEU 77 HD11 LEU 77 73.105 9.342 -1.644 438 HD12 LEU 77 HD12 LEU 77 73.564 9.241 -3.344 439 HD13 LEU 77 HD13 LEU 77 73.187 7.772 -2.443 440 HD21 LEU 77 HD21 LEU 77 70.861 8.225 -1.048 441 HD22 LEU 77 HD22 LEU 77 70.816 7.006 -2.321 442 HD23 LEU 77 HD23 LEU 77 69.571 8.253 -2.250 443 H LEU 78 H LEU 78 69.577 11.996 -5.122 444 HA LEU 78 HA LEU 78 69.324 9.904 -6.993 445 HB2 LEU 78 HB2 LEU 78 68.338 12.760 -7.222 446 HB3 LEU 78 HB3 LEU 78 67.752 11.386 -8.157 447 HG LEU 78 HG LEU 78 67.629 11.583 -5.134 448 HD11 LEU 78 HD11 LEU 78 65.385 11.826 -7.158 449 HD12 LEU 78 HD12 LEU 78 66.149 13.206 -6.370 450 HD13 LEU 78 HD13 LEU 78 65.264 12.022 -5.410 451 HD21 LEU 78 HD21 LEU 78 66.787 9.537 -7.174 452 HD22 LEU 78 HD22 LEU 78 65.894 9.684 -5.659 453 HD23 LEU 78 HD23 LEU 78 67.615 9.292 -5.636 454 H ASP 79 H ASP 79 70.765 13.140 -7.293 455 HA ASP 79 HA ASP 79 71.423 12.971 -10.026 456 HB2 ASP 79 HB2 ASP 79 72.758 14.523 -7.796 457 HB3 ASP 79 HB3 ASP 79 73.075 14.765 -9.513 458 H ASN 80 H ASN 80 73.242 12.047 -7.127 459 HA ASN 80 HA ASN 80 75.665 11.400 -8.381 460 HB2 ASN 80 HB2 ASN 80 75.175 11.549 -5.883 461 HB3 ASN 80 HB3 ASN 80 74.524 9.917 -6.014 462 HD21 ASN 80 HD21 ASN 80 76.071 8.427 -5.365 463 HD22 ASN 80 HD22 ASN 80 77.732 8.534 -5.704 464 H LEU 81 H LEU 81 72.845 9.323 -7.684 465 HA LEU 81 HA LEU 81 73.923 6.918 -8.647 466 HB2 LEU 81 HB2 LEU 81 71.042 7.848 -8.658 467 HB3 LEU 81 HB3 LEU 81 71.577 6.183 -8.883 468 HG LEU 81 HG LEU 81 72.204 7.846 -6.428 469 HD11 LEU 81 HD11 LEU 81 70.500 6.459 -5.305 470 HD12 LEU 81 HD12 LEU 81 70.127 5.671 -6.838 471 HD13 LEU 81 HD13 LEU 81 69.781 7.387 -6.621 472 HD21 LEU 81 HD21 LEU 81 73.840 6.142 -6.634 473 HD22 LEU 81 HD22 LEU 81 72.667 4.976 -7.246 474 HD23 LEU 81 HD23 LEU 81 72.635 5.452 -5.549 475 H LEU 82 H LEU 82 72.330 9.576 -10.366 476 HA LEU 82 HA LEU 82 72.117 8.173 -12.846 477 HB2 LEU 82 HB2 LEU 82 72.262 11.159 -12.332 478 HB3 LEU 82 HB3 LEU 82 71.756 10.402 -13.843 479 HG LEU 82 HG LEU 82 70.390 9.977 -11.170 480 HD11 LEU 82 HD11 LEU 82 68.554 11.327 -12.275 481 HD12 LEU 82 HD12 LEU 82 69.717 11.749 -13.532 482 HD13 LEU 82 HD13 LEU 82 69.999 12.251 -11.866 483 HD21 LEU 82 HD21 LEU 82 68.573 9.162 -12.872 484 HD22 LEU 82 HD22 LEU 82 69.907 8.082 -12.469 485 HD23 LEU 82 HD23 LEU 82 69.935 8.993 -13.979 486 H THR 83 H THR 83 74.588 10.401 -11.558 487 HA THR 83 HA THR 83 76.251 10.419 -13.814 488 HB THR 83 HB THR 83 77.133 10.537 -10.923 489 HG1 THR 83 HG1 THR 83 75.793 12.160 -11.078 490 HG21 THR 83 HG21 THR 83 78.989 11.845 -11.809 491 HG22 THR 83 HG22 THR 83 78.319 11.748 -13.437 492 HG23 THR 83 HG23 THR 83 78.926 10.294 -12.645 493 H LYS 84 H LYS 84 75.911 8.029 -11.262 494 HA LYS 84 HA LYS 84 78.238 6.516 -12.098 495 HB2 LYS 84 HB2 LYS 84 76.048 5.768 -10.150 496 HB3 LYS 84 HB3 LYS 84 77.583 4.927 -10.362 497 HG2 LYS 84 HG2 LYS 84 77.300 7.823 -9.508 498 HG3 LYS 84 HG3 LYS 84 77.610 6.477 -8.413 499 HD2 LYS 84 HD2 LYS 84 79.680 5.962 -9.764 500 HD3 LYS 84 HD3 LYS 84 79.404 7.465 -10.645 501 HE2 LYS 84 HE2 LYS 84 79.508 8.734 -8.538 502 HE3 LYS 84 HE3 LYS 84 79.777 7.237 -7.646 503 HZ1 LYS 84 HZ1 LYS 84 81.726 8.800 -8.641 504 HZ2 LYS 84 HZ2 LYS 84 81.567 7.639 -9.871 505 HZ3 LYS 84 HZ3 LYS 84 81.905 7.152 -8.278 506 H ASN 85 H ASN 85 75.276 6.815 -13.537 507 HA ASN 85 HA ASN 85 74.065 5.544 -14.990 508 HB2 ASN 85 HB2 ASN 85 76.566 3.840 -15.093 509 HB3 ASN 85 HB3 ASN 85 75.261 3.856 -16.274 510 HD21 ASN 85 HD21 ASN 85 78.273 4.770 -16.304 511 HD22 ASN 85 HD22 ASN 85 78.185 6.301 -17.032 512 H VAL 86 H VAL 86 73.688 5.051 -12.233 513 HA VAL 86 HA VAL 86 73.293 2.146 -12.070 514 HB VAL 86 HB VAL 86 72.801 4.305 -9.999 515 HG11 VAL 86 HG11 VAL 86 73.006 1.296 -9.676 516 HG12 VAL 86 HG12 VAL 86 71.479 2.176 -9.744 517 HG13 VAL 86 HG13 VAL 86 72.610 2.471 -8.423 518 HG21 VAL 86 HG21 VAL 86 74.902 3.659 -9.032 519 HG22 VAL 86 HG22 VAL 86 75.212 3.937 -10.745 520 HG23 VAL 86 HG23 VAL 86 75.060 2.291 -10.134 521 H LYS 87 H LYS 87 71.260 1.200 -12.008 522 HA LYS 87 HA LYS 87 69.156 2.625 -13.336 523 HB2 LYS 87 HB2 LYS 87 69.534 0.154 -13.537 524 HB3 LYS 87 HB3 LYS 87 68.986 -0.020 -11.869 525 HG2 LYS 87 HG2 LYS 87 66.831 1.057 -12.493 526 HG3 LYS 87 HG3 LYS 87 67.375 1.124 -14.170 527 HD2 LYS 87 HD2 LYS 87 67.664 -1.367 -14.114 528 HD3 LYS 87 HD3 LYS 87 66.940 -1.372 -12.506 529 HE2 LYS 87 HE2 LYS 87 65.510 -0.040 -14.791 530 HE3 LYS 87 HE3 LYS 87 65.405 -1.788 -14.583 531 HZ1 LYS 87 HZ1 LYS 87 64.890 0.062 -12.339 532 HZ2 LYS 87 HZ2 LYS 87 64.413 -1.560 -12.509 533 HZ3 LYS 87 HZ3 LYS 87 63.663 -0.351 -13.436 534 H VAL 88 H VAL 88 67.397 3.645 -12.489 535 HA VAL 88 HA VAL 88 67.099 3.619 -9.540 536 HB VAL 88 HB VAL 88 66.875 6.059 -11.325 537 HG11 VAL 88 HG11 VAL 88 66.755 5.724 -8.310 538 HG12 VAL 88 HG12 VAL 88 65.391 6.111 -9.358 539 HG13 VAL 88 HG13 VAL 88 66.712 7.263 -9.169 540 HG21 VAL 88 HG21 VAL 88 69.190 5.662 -11.177 541 HG22 VAL 88 HG22 VAL 88 69.066 5.000 -9.547 542 HG23 VAL 88 HG23 VAL 88 68.891 6.735 -9.810 543 H VAL 89 H VAL 89 65.115 3.284 -8.833 544 HA VAL 89 HA VAL 89 62.847 3.575 -10.731 545 HB VAL 89 HB VAL 89 63.035 1.596 -8.449 546 HG11 VAL 89 HG11 VAL 89 61.044 0.628 -9.485 547 HG12 VAL 89 HG12 VAL 89 61.115 1.819 -10.784 548 HG13 VAL 89 HG13 VAL 89 60.764 2.334 -9.135 549 HG21 VAL 89 HG21 VAL 89 64.582 0.697 -9.945 550 HG22 VAL 89 HG22 VAL 89 63.758 1.359 -11.358 551 HG23 VAL 89 HG23 VAL 89 63.082 -0.036 -10.514 552 H GLY 90 H GLY 90 61.216 4.882 -10.054 553 HA2 GLY 90 HA2 GLY 90 61.291 5.821 -7.244 554 HA3 GLY 90 HA3 GLY 90 60.612 6.722 -8.596 555 H GLU 91 H GLU 91 59.686 5.236 -5.907 556 HA GLU 91 HA GLU 91 56.991 4.873 -6.923 557 HB2 GLU 91 HB2 GLU 91 58.655 2.597 -5.887 558 HB3 GLU 91 HB3 GLU 91 56.911 2.606 -5.618 559 HG2 GLU 91 HG2 GLU 91 56.768 3.136 -8.169 560 HG3 GLU 91 HG3 GLU 91 58.417 2.515 -8.221 561 HA PRO 92 HA PRO 92 57.378 6.854 -2.739 562 HB2 PRO 92 HB2 PRO 92 55.098 8.425 -3.098 563 HB3 PRO 92 HB3 PRO 92 56.763 8.942 -3.416 564 HG2 PRO 92 HG2 PRO 92 54.689 7.985 -5.309 565 HG3 PRO 92 HG3 PRO 92 55.927 9.238 -5.518 566 HD2 PRO 92 HD2 PRO 92 56.193 6.789 -6.627 567 HD3 PRO 92 HD3 PRO 92 57.596 7.708 -6.037 568 HA PRO 93 HA PRO 93 54.529 3.994 -0.850 569 HB2 PRO 93 HB2 PRO 93 53.906 6.164 1.114 570 HB3 PRO 93 HB3 PRO 93 54.396 4.482 1.408 571 HG2 PRO 93 HG2 PRO 93 56.126 6.432 1.752 572 HG3 PRO 93 HG3 PRO 93 56.629 4.917 0.972 573 HD2 PRO 93 HD2 PRO 93 56.037 7.573 -0.299 574 HD3 PRO 93 HD3 PRO 93 57.306 6.389 -0.696 575 H GLU 94 H GLU 94 52.336 3.513 -0.910 576 HA GLU 94 HA GLU 94 50.622 5.559 -2.138 577 HB2 GLU 94 HB2 GLU 94 50.847 3.301 -3.199 578 HB3 GLU 94 HB3 GLU 94 50.083 2.604 -1.769 579 HG2 GLU 94 HG2 GLU 94 48.114 4.084 -2.141 580 HG3 GLU 94 HG3 GLU 94 48.866 4.677 -3.615 581 H GLU 95 H GLU 95 48.916 6.438 -1.125 582 HA GLU 95 HA GLU 95 48.029 5.278 1.444 583 HB2 GLU 95 HB2 GLU 95 49.561 7.197 1.849 584 HB3 GLU 95 HB3 GLU 95 48.472 8.227 0.920 585 HG2 GLU 95 HG2 GLU 95 46.625 7.548 2.511 586 HG3 GLU 95 HG3 GLU 95 47.859 6.772 3.502 587 HA PRO 96 HA PRO 96 44.463 5.905 -1.493 588 HB2 PRO 96 HB2 PRO 96 43.299 3.880 0.358 589 HB3 PRO 96 HB3 PRO 96 43.268 3.941 -1.416 590 HG2 PRO 96 HG2 PRO 96 44.832 2.232 -0.114 591 HG3 PRO 96 HG3 PRO 96 45.354 3.008 -1.621 592 HD2 PRO 96 HD2 PRO 96 46.200 3.597 1.186 593 HD3 PRO 96 HD3 PRO 96 47.137 3.694 -0.322 594 H LEU 97 H LEU 97 42.957 7.437 -1.148 595 HA LEU 97 HA LEU 97 42.674 8.644 1.433 596 HB2 LEU 97 HB2 LEU 97 41.103 9.119 -1.111 597 HB3 LEU 97 HB3 LEU 97 41.125 10.171 0.304 598 HG LEU 97 HG LEU 97 43.569 9.451 -1.342 599 HD11 LEU 97 HD11 LEU 97 43.410 11.879 -2.031 600 HD12 LEU 97 HD12 LEU 97 41.806 11.917 -1.298 601 HD13 LEU 97 HD13 LEU 97 42.124 10.858 -2.672 602 HD21 LEU 97 HD21 LEU 97 44.269 9.984 0.872 603 HD22 LEU 97 HD22 LEU 97 43.071 11.269 1.023 604 HD23 LEU 97 HD23 LEU 97 44.463 11.483 -0.037 605 H GLU 98 H GLU 98 40.702 6.453 -0.503 606 HA GLU 98 HA GLU 98 38.237 6.836 0.764 607 HB2 GLU 98 HB2 GLU 98 38.608 5.548 -1.342 608 HB3 GLU 98 HB3 GLU 98 39.284 4.237 -0.374 609 HG2 GLU 98 HG2 GLU 98 37.155 4.134 0.913 610 HG3 GLU 98 HG3 GLU 98 36.483 5.369 -0.141 611 H HIS 99 H HIS 99 40.955 4.742 1.648 612 HA HIS 99 HA HIS 99 39.633 3.250 3.641 613 HB2 HIS 99 HB2 HIS 99 42.515 3.972 3.192 614 HB3 HIS 99 HB3 HIS 99 42.015 3.015 4.572 615 HD1 HIS 99 HD1 HIS 99 41.658 2.923 0.772 616 HD2 HIS 99 HD2 HIS 99 41.945 0.316 4.013 617 HE1 HIS 99 HE1 HIS 99 41.754 0.586 -0.196 618 H HIS 100 H HIS 100 41.579 6.225 3.888 619 HA HIS 100 HA HIS 100 41.346 6.527 6.681 620 HB2 HIS 100 HB2 HIS 100 41.832 8.503 4.463 621 HB3 HIS 100 HB3 HIS 100 41.812 8.972 6.153 622 HD1 HIS 100 HD1 HIS 100 43.775 6.935 3.663 623 HD2 HIS 100 HD2 HIS 100 44.133 8.267 7.597 624 HE1 HIS 100 HE1 HIS 100 46.151 6.430 4.377 625 H HIS 101 H HIS 101 39.919 7.633 7.970 626 HA HIS 101 HA HIS 101 37.273 8.127 6.848 627 HB2 HIS 101 HB2 HIS 101 38.316 8.206 9.677 628 HB3 HIS 101 HB3 HIS 101 36.649 8.514 9.230 629 HD1 HIS 101 HD1 HIS 101 39.161 5.777 9.628 630 HD2 HIS 101 HD2 HIS 101 35.182 6.179 8.454 631 HE1 HIS 101 HE1 HIS 101 38.194 3.440 9.574 632 H HIS 102 H HIS 102 40.014 9.977 8.006 633 HA HIS 102 HA HIS 102 38.803 12.400 8.656 634 HB2 HIS 102 HB2 HIS 102 41.468 11.896 7.336 635 HB3 HIS 102 HB3 HIS 102 40.975 13.426 8.033 636 HD1 HIS 102 HD1 HIS 102 42.133 9.989 8.927 637 HD2 HIS 102 HD2 HIS 102 40.959 13.470 10.897 638 HE1 HIS 102 HE1 HIS 102 42.797 9.697 11.352 639 H HIS 103 H HIS 103 39.539 11.042 5.484 640 HA HIS 103 HA HIS 103 39.377 13.344 3.919 641 HB2 HIS 103 HB2 HIS 103 40.079 11.120 3.106 642 HB3 HIS 103 HB3 HIS 103 38.417 10.571 3.213 643 HD1 HIS 103 HD1 HIS 103 40.336 13.390 1.487 644 HD2 HIS 103 HD2 HIS 103 37.100 10.849 0.813 645 HE1 HIS 103 HE1 HIS 103 39.517 13.882 -0.856 646 H HIS 104 H HIS 104 36.788 11.401 5.325 647 HA HIS 104 HA HIS 104 34.900 13.536 4.700 648 HB2 HIS 104 HB2 HIS 104 34.796 11.980 2.765 649 HB3 HIS 104 HB3 HIS 104 34.381 10.680 3.866 650 HD1 HIS 104 HD1 HIS 104 33.032 14.146 2.987 651 HD2 HIS 104 HD2 HIS 104 31.655 10.364 4.074 652 HE1 HIS 104 HE1 HIS 104 30.505 14.263 2.933 Start of MODEL 12 1 H1 MET 23 HT1 MET 23 61.457 -17.065 -3.973 2 H2 MET 23 HT2 MET 23 61.200 -18.687 -4.407 3 H3 MET 23 HT3 MET 23 62.599 -17.878 -4.931 4 HA MET 23 HA MET 23 62.243 -19.383 -2.607 5 HB2 MET 23 HB2 MET 23 64.498 -17.614 -3.595 6 HB3 MET 23 HB3 MET 23 64.653 -18.809 -2.306 7 HG2 MET 23 HG2 MET 23 63.856 -20.560 -3.930 8 HG3 MET 23 HG3 MET 23 63.936 -19.343 -5.201 9 HE1 MET 23 HE1 MET 23 67.396 -18.392 -5.717 10 HE2 MET 23 HE2 MET 23 66.951 -17.743 -4.140 11 HE3 MET 23 HE3 MET 23 65.749 -17.818 -5.425 12 H ALA 24 H ALA 24 61.433 -18.759 -0.707 13 HA ALA 24 HA ALA 24 60.900 -16.091 0.018 14 HB1 ALA 24 HB1 ALA 24 60.090 -16.950 2.028 15 HB2 ALA 24 HB2 ALA 24 61.280 -18.251 2.068 16 HB3 ALA 24 HB3 ALA 24 59.926 -18.328 0.941 17 H SER 25 H SER 25 63.625 -18.227 0.770 18 HA SER 25 HA SER 25 64.881 -16.617 2.701 19 HB2 SER 25 HB2 SER 25 65.500 -18.979 2.159 20 HB3 SER 25 HB3 SER 25 66.231 -18.402 0.666 21 HG SER 25 HG SER 25 66.958 -17.830 3.290 22 H GLU 26 H GLU 26 65.039 -16.564 -0.834 23 HA GLU 26 HA GLU 26 67.204 -14.783 -1.098 24 HB2 GLU 26 HB2 GLU 26 66.223 -16.160 -2.939 25 HB3 GLU 26 HB3 GLU 26 64.842 -15.063 -2.967 26 HG2 GLU 26 HG2 GLU 26 66.398 -13.164 -3.383 27 HG3 GLU 26 HG3 GLU 26 67.736 -14.303 -3.448 28 H SER 27 H SER 27 63.735 -14.208 -0.680 29 HA SER 27 HA SER 27 63.681 -11.473 -1.273 30 HB2 SER 27 HB2 SER 27 61.594 -11.398 -0.110 31 HB3 SER 27 HB3 SER 27 61.698 -12.976 -0.882 32 HG SER 27 HG SER 27 61.556 -12.371 1.704 33 H ASN 28 H ASN 28 64.854 -13.113 1.598 34 HA ASN 28 HA ASN 28 64.744 -11.023 3.455 35 HB2 ASN 28 HB2 ASN 28 66.860 -13.166 3.144 36 HB3 ASN 28 HB3 ASN 28 66.614 -12.174 4.581 37 HD21 ASN 28 HD21 ASN 28 66.281 -15.167 4.226 38 HD22 ASN 28 HD22 ASN 28 64.688 -15.487 4.718 39 H GLY 29 H GLY 29 66.145 -9.361 3.994 40 HA2 GLY 29 HA2 GLY 29 68.400 -8.836 2.159 41 HA3 GLY 29 HA3 GLY 29 67.188 -7.589 2.440 42 H ARG 30 H ARG 30 70.195 -8.337 3.229 43 HA ARG 30 HA ARG 30 70.334 -8.236 6.058 44 HB2 ARG 30 HB2 ARG 30 72.312 -7.278 3.975 45 HB3 ARG 30 HB3 ARG 30 72.670 -7.472 5.692 46 HG2 ARG 30 HG2 ARG 30 72.028 -9.875 5.520 47 HG3 ARG 30 HG3 ARG 30 71.801 -9.662 3.784 48 HD2 ARG 30 HD2 ARG 30 74.190 -8.865 3.654 49 HD3 ARG 30 HD3 ARG 30 74.376 -9.330 5.343 50 HE ARG 30 HE ARG 30 73.331 -11.468 3.740 51 HH11 ARG 30 HH11 ARG 30 76.319 -9.858 4.633 52 HH12 ARG 30 HH12 ARG 30 77.288 -11.256 4.303 53 HH21 ARG 30 HH21 ARG 30 74.628 -13.235 3.330 54 HH22 ARG 30 HH22 ARG 30 76.341 -13.144 3.574 55 H LYS 31 H LYS 31 70.615 -6.478 7.488 56 HA LYS 31 HA LYS 31 69.445 -3.973 6.592 57 HB2 LYS 31 HB2 LYS 31 70.574 -4.816 9.275 58 HB3 LYS 31 HB3 LYS 31 69.789 -3.269 8.961 59 HG2 LYS 31 HG2 LYS 31 67.749 -4.496 8.216 60 HG3 LYS 31 HG3 LYS 31 68.531 -6.011 8.667 61 HD2 LYS 31 HD2 LYS 31 68.785 -5.141 10.994 62 HD3 LYS 31 HD3 LYS 31 67.874 -3.705 10.521 63 HE2 LYS 31 HE2 LYS 31 66.771 -6.489 10.127 64 HE3 LYS 31 HE3 LYS 31 66.536 -5.599 11.632 65 HZ1 LYS 31 HZ1 LYS 31 65.774 -4.626 8.932 66 HZ2 LYS 31 HZ2 LYS 31 65.503 -3.818 10.401 67 HZ3 LYS 31 HZ3 LYS 31 64.701 -5.279 10.071 68 H VAL 32 H VAL 32 70.502 -2.117 6.116 69 HA VAL 32 HA VAL 32 73.410 -1.993 6.631 70 HB VAL 32 HB VAL 32 72.066 -1.294 4.008 71 HG11 VAL 32 HG11 VAL 32 73.961 0.154 4.362 72 HG12 VAL 32 HG12 VAL 32 74.481 -1.116 3.254 73 HG13 VAL 32 HG13 VAL 32 74.944 -1.185 4.954 74 HG21 VAL 32 HG21 VAL 32 73.811 -3.612 4.880 75 HG22 VAL 32 HG22 VAL 32 73.528 -3.206 3.187 76 HG23 VAL 32 HG23 VAL 32 72.179 -3.688 4.219 77 H ASP 33 H ASP 33 74.129 -0.133 7.372 78 HA ASP 33 HA ASP 33 72.367 2.058 7.947 79 HB2 ASP 33 HB2 ASP 33 75.367 1.739 8.214 80 HB3 ASP 33 HB3 ASP 33 74.457 3.115 8.831 81 H TYR 34 H TYR 34 72.441 4.177 7.077 82 HA TYR 34 HA TYR 34 72.735 4.436 4.328 83 HB2 TYR 34 HB2 TYR 34 71.441 6.008 5.620 84 HB3 TYR 34 HB3 TYR 34 72.858 6.518 6.510 85 HD1 TYR 34 HD1 TYR 34 72.470 5.994 2.825 86 HD2 TYR 34 HD2 TYR 34 73.034 8.811 6.017 87 HE1 TYR 34 HE1 TYR 34 72.886 7.791 1.170 88 HE2 TYR 34 HE2 TYR 34 73.432 10.611 4.358 89 HH TYR 34 HH TYR 34 72.925 11.032 1.937 90 H SER 35 H SER 35 75.134 5.025 6.879 91 HA SER 35 HA SER 35 77.065 6.339 5.320 92 HB2 SER 35 HB2 SER 35 77.121 6.099 7.813 93 HB3 SER 35 HB3 SER 35 77.587 4.415 7.596 94 HG SER 35 HG SER 35 79.082 6.594 7.429 95 H THR 36 H THR 36 76.515 2.884 5.907 96 HA THR 36 HA THR 36 78.843 1.983 4.532 97 HB THR 36 HB THR 36 76.253 0.489 5.011 98 HG1 THR 36 HG1 THR 36 76.895 0.616 6.973 99 HG21 THR 36 HG21 THR 36 79.091 -0.458 4.514 100 HG22 THR 36 HG22 THR 36 77.751 -0.577 3.374 101 HG23 THR 36 HG23 THR 36 77.715 -1.500 4.876 102 H PHE 37 H PHE 37 75.478 2.498 3.530 103 HA PHE 37 HA PHE 37 75.667 1.465 0.943 104 HB2 PHE 37 HB2 PHE 37 73.545 2.099 1.927 105 HB3 PHE 37 HB3 PHE 37 74.031 3.780 1.979 106 HD1 PHE 37 HD2 PHE 37 72.882 1.018 -0.173 107 HD2 PHE 37 HD1 PHE 37 74.052 5.149 -0.038 108 HE1 PHE 37 HE2 PHE 37 71.938 1.364 -2.441 109 HE2 PHE 37 HE1 PHE 37 73.108 5.491 -2.306 110 HZ PHE 37 HZ PHE 37 72.048 3.598 -3.506 111 H LEU 38 H LEU 38 76.469 4.731 2.133 112 HA LEU 38 HA LEU 38 76.931 5.905 -0.373 113 HB2 LEU 38 HB2 LEU 38 78.202 6.517 2.305 114 HB3 LEU 38 HB3 LEU 38 78.296 7.558 0.882 115 HG LEU 38 HG LEU 38 75.680 6.643 2.097 116 HD11 LEU 38 HD11 LEU 38 76.740 9.434 2.391 117 HD12 LEU 38 HD12 LEU 38 77.293 8.188 3.510 118 HD13 LEU 38 HD13 LEU 38 75.576 8.566 3.391 119 HD21 LEU 38 HD21 LEU 38 74.984 8.790 0.787 120 HD22 LEU 38 HD22 LEU 38 75.277 7.307 -0.120 121 HD23 LEU 38 HD23 LEU 38 76.511 8.565 -0.067 122 H GLN 39 H GLN 39 79.115 4.125 1.784 123 HA GLN 39 HA GLN 39 81.478 4.550 0.297 124 HB2 GLN 39 HB2 GLN 39 81.399 3.605 2.609 125 HB3 GLN 39 HB3 GLN 39 80.777 2.099 1.932 126 HG2 GLN 39 HG2 GLN 39 82.803 1.971 0.476 127 HG3 GLN 39 HG3 GLN 39 83.434 3.398 1.280 128 HE21 GLN 39 HE21 GLN 39 81.994 1.860 3.848 129 HE22 GLN 39 HE22 GLN 39 83.275 0.854 4.320 130 H GLU 40 H GLU 40 79.045 1.967 0.112 131 HA GLU 40 HA GLU 40 80.348 0.422 -1.846 132 HB2 GLU 40 HB2 GLU 40 77.395 0.711 -1.258 133 HB3 GLU 40 HB3 GLU 40 78.100 -0.543 -2.280 134 HG2 GLU 40 HG2 GLU 40 79.521 -1.260 -0.362 135 HG3 GLU 40 HG3 GLU 40 78.716 -0.068 0.649 136 H VAL 41 H VAL 41 78.025 3.084 -2.154 137 HA VAL 41 HA VAL 41 77.696 3.059 -4.923 138 HB VAL 41 HB VAL 41 77.760 5.428 -3.034 139 HG11 VAL 41 HG11 VAL 41 77.961 6.047 -5.448 140 HG12 VAL 41 HG12 VAL 41 76.450 6.600 -4.720 141 HG13 VAL 41 HG13 VAL 41 76.460 5.175 -5.762 142 HG21 VAL 41 HG21 VAL 41 75.280 4.114 -4.114 143 HG22 VAL 41 HG22 VAL 41 75.498 5.045 -2.633 144 HG23 VAL 41 HG23 VAL 41 76.103 3.395 -2.733 145 H ASN 42 H ASN 42 80.140 4.759 -2.954 146 HA ASN 42 HA ASN 42 81.531 5.990 -5.052 147 HB2 ASN 42 HB2 ASN 42 82.549 4.978 -2.389 148 HB3 ASN 42 HB3 ASN 42 83.439 6.060 -3.459 149 HD21 ASN 42 HD21 ASN 42 81.757 6.260 -0.693 150 HD22 ASN 42 HD22 ASN 42 80.987 7.758 -0.898 151 H ASN 43 H ASN 43 81.709 2.705 -3.814 152 HA ASN 43 HA ASN 43 84.029 2.049 -5.439 153 HB2 ASN 43 HB2 ASN 43 82.253 0.350 -3.683 154 HB3 ASN 43 HB3 ASN 43 83.676 -0.247 -4.530 155 HD21 ASN 43 HD21 ASN 43 83.473 -0.267 -1.656 156 HD22 ASN 43 HD22 ASN 43 84.632 0.809 -1.042 157 H ASP 44 H ASP 44 81.034 2.618 -6.475 158 HA ASP 44 HA ASP 44 79.706 1.879 -8.187 159 HB2 ASP 44 HB2 ASP 44 81.855 2.449 -9.342 160 HB3 ASP 44 HB3 ASP 44 82.303 0.749 -9.238 161 H GLN 45 H GLN 45 79.917 0.052 -5.924 162 HA GLN 45 HA GLN 45 79.826 -2.592 -7.153 163 HB2 GLN 45 HB2 GLN 45 79.408 -1.721 -4.287 164 HB3 GLN 45 HB3 GLN 45 79.398 -3.393 -4.847 165 HG2 GLN 45 HG2 GLN 45 81.718 -1.464 -5.142 166 HG3 GLN 45 HG3 GLN 45 81.610 -2.751 -3.944 167 HE21 GLN 45 HE21 GLN 45 83.036 -2.092 -6.850 168 HE22 GLN 45 HE22 GLN 45 83.130 -3.663 -7.488 169 H VAL 46 H VAL 46 77.575 -0.087 -6.293 170 HA VAL 46 HA VAL 46 75.311 -1.879 -6.037 171 HB VAL 46 HB VAL 46 75.371 1.145 -6.296 172 HG11 VAL 46 HG11 VAL 46 73.128 0.949 -5.194 173 HG12 VAL 46 HG12 VAL 46 73.233 -0.802 -5.375 174 HG13 VAL 46 HG13 VAL 46 73.172 0.231 -6.804 175 HG21 VAL 46 HG21 VAL 46 75.173 1.157 -3.850 176 HG22 VAL 46 HG22 VAL 46 76.639 0.302 -4.328 177 HG23 VAL 46 HG23 VAL 46 75.215 -0.607 -3.820 178 H ARG 47 H ARG 47 73.772 -2.330 -7.552 179 HA ARG 47 HA ARG 47 74.335 -1.424 -10.308 180 HB2 ARG 47 HB2 ARG 47 74.439 -3.870 -9.843 181 HB3 ARG 47 HB3 ARG 47 72.743 -3.819 -9.365 182 HG2 ARG 47 HG2 ARG 47 72.158 -2.943 -11.618 183 HG3 ARG 47 HG3 ARG 47 73.850 -3.090 -12.093 184 HD2 ARG 47 HD2 ARG 47 73.748 -5.525 -11.555 185 HD3 ARG 47 HD3 ARG 47 72.029 -5.348 -11.216 186 HE ARG 47 HE ARG 47 73.296 -5.374 -13.825 187 HH11 ARG 47 HH11 ARG 47 70.413 -4.461 -12.041 188 HH12 ARG 47 HH12 ARG 47 69.419 -4.451 -13.460 189 HH21 ARG 47 HH21 ARG 47 71.968 -5.341 -15.615 190 HH22 ARG 47 HH22 ARG 47 70.290 -4.942 -15.458 191 H GLU 48 H GLU 48 71.679 -2.116 -8.046 192 HA GLU 48 HA GLU 48 69.966 -0.221 -9.541 193 HB2 GLU 48 HB2 GLU 48 69.417 -2.576 -10.148 194 HB3 GLU 48 HB3 GLU 48 69.079 -2.900 -8.448 195 HG2 GLU 48 HG2 GLU 48 67.366 -1.104 -8.473 196 HG3 GLU 48 HG3 GLU 48 67.662 -0.864 -10.189 197 H ALA 49 H ALA 49 68.707 1.094 -8.311 198 HA ALA 49 HA ALA 49 68.402 0.474 -5.444 199 HB1 ALA 49 HB1 ALA 49 69.345 3.078 -6.650 200 HB2 ALA 49 HB2 ALA 49 70.160 2.083 -5.442 201 HB3 ALA 49 HB3 ALA 49 68.691 2.961 -5.016 202 H ARG 50 H ARG 50 66.314 0.253 -5.100 203 HA ARG 50 HA ARG 50 64.355 1.870 -6.570 204 HB2 ARG 50 HB2 ARG 50 64.079 -0.439 -4.629 205 HB3 ARG 50 HB3 ARG 50 62.709 0.415 -5.335 206 HG2 ARG 50 HG2 ARG 50 63.529 -0.173 -7.601 207 HG3 ARG 50 HG3 ARG 50 64.873 -1.054 -6.875 208 HD2 ARG 50 HD2 ARG 50 63.168 -2.669 -7.394 209 HD3 ARG 50 HD3 ARG 50 63.176 -2.460 -5.645 210 HE ARG 50 HE ARG 50 61.309 -0.743 -7.047 211 HH11 ARG 50 HH11 ARG 50 61.725 -3.858 -5.485 212 HH12 ARG 50 HH12 ARG 50 60.027 -4.060 -5.211 213 HH21 ARG 50 HH21 ARG 50 59.133 -1.058 -6.668 214 HH22 ARG 50 HH22 ARG 50 58.578 -2.493 -5.875 215 H ILE 51 H ILE 51 63.255 3.536 -5.633 216 HA ILE 51 HA ILE 51 63.850 4.137 -2.798 217 HB ILE 51 HB ILE 51 63.049 6.009 -5.041 218 HG12 ILE 51 HG12 ILE 51 65.723 5.693 -3.645 219 HG13 ILE 51 HG13 ILE 51 65.349 4.994 -5.221 220 HG21 ILE 51 HG21 ILE 51 63.659 7.781 -3.421 221 HG22 ILE 51 HG22 ILE 51 63.949 6.548 -2.193 222 HG23 ILE 51 HG23 ILE 51 62.322 6.796 -2.827 223 HD11 ILE 51 HD11 ILE 51 66.438 7.079 -5.662 224 HD12 ILE 51 HD12 ILE 51 65.443 7.924 -4.478 225 HD13 ILE 51 HD13 ILE 51 64.723 7.343 -5.979 226 H ASN 52 H ASN 52 62.241 3.932 -1.409 227 HA ASN 52 HA ASN 52 59.506 4.627 -2.220 228 HB2 ASN 52 HB2 ASN 52 59.874 2.105 -2.300 229 HB3 ASN 52 HB3 ASN 52 60.115 2.179 -0.556 230 HD21 ASN 52 HD21 ASN 52 58.238 1.922 0.657 231 HD22 ASN 52 HD22 ASN 52 56.666 2.218 0.090 232 H GLY 53 H GLY 53 59.386 6.455 -0.998 233 HA2 GLY 53 HA2 GLY 53 59.199 7.774 0.877 234 HA3 GLY 53 HA3 GLY 53 58.983 6.282 1.788 235 H ARG 54 H ARG 54 60.345 6.331 3.465 236 HA ARG 54 HA ARG 54 62.930 7.636 3.292 237 HB2 ARG 54 HB2 ARG 54 61.378 7.620 5.333 238 HB3 ARG 54 HB3 ARG 54 61.943 5.970 5.597 239 HG2 ARG 54 HG2 ARG 54 64.263 6.751 5.700 240 HG3 ARG 54 HG3 ARG 54 63.739 8.403 5.368 241 HD2 ARG 54 HD2 ARG 54 64.042 8.222 7.747 242 HD3 ARG 54 HD3 ARG 54 62.307 8.264 7.446 243 HE ARG 54 HE ARG 54 63.410 5.594 7.554 244 HH11 ARG 54 HH11 ARG 54 62.050 8.194 9.481 245 HH12 ARG 54 HH12 ARG 54 61.576 7.130 10.763 246 HH21 ARG 54 HH21 ARG 54 62.777 4.273 9.235 247 HH22 ARG 54 HH22 ARG 54 61.983 4.937 10.624 248 H GLU 55 H GLU 55 61.837 4.479 2.554 249 HA GLU 55 HA GLU 55 64.408 3.261 3.336 250 HB2 GLU 55 HB2 GLU 55 61.781 1.992 2.529 251 HB3 GLU 55 HB3 GLU 55 63.241 1.113 2.985 252 HG2 GLU 55 HG2 GLU 55 63.205 2.255 5.194 253 HG3 GLU 55 HG3 GLU 55 61.700 3.044 4.740 254 H ILE 56 H ILE 56 65.778 2.437 1.840 255 HA ILE 56 HA ILE 56 64.914 2.415 -0.998 256 HB ILE 56 HB ILE 56 67.723 2.802 0.081 257 HG12 ILE 56 HG12 ILE 56 65.945 4.827 -1.303 258 HG13 ILE 56 HG13 ILE 56 66.109 4.735 0.449 259 HG21 ILE 56 HG21 ILE 56 67.406 1.678 -2.195 260 HG22 ILE 56 HG22 ILE 56 68.360 3.159 -2.200 261 HG23 ILE 56 HG23 ILE 56 66.682 3.193 -2.734 262 HD11 ILE 56 HD11 ILE 56 67.645 6.403 -0.746 263 HD12 ILE 56 HD12 ILE 56 68.512 5.003 -1.370 264 HD13 ILE 56 HD13 ILE 56 68.423 5.282 0.369 265 H ASN 57 H ASN 57 64.991 0.459 -1.978 266 HA ASN 57 HA ASN 57 66.319 -1.758 -0.538 267 HB2 ASN 57 HB2 ASN 57 64.136 -1.688 -2.628 268 HB3 ASN 57 HB3 ASN 57 64.992 -3.173 -2.212 269 HD21 ASN 57 HD21 ASN 57 62.345 -1.207 -1.328 270 HD22 ASN 57 HD22 ASN 57 62.056 -1.883 0.204 271 H VAL 58 H VAL 58 68.113 -2.686 -1.401 272 HA VAL 58 HA VAL 58 69.064 -1.544 -3.969 273 HB VAL 58 HB VAL 58 70.712 -2.057 -1.487 274 HG11 VAL 58 HG11 VAL 58 71.295 -1.021 -4.250 275 HG12 VAL 58 HG12 VAL 58 72.185 -2.211 -3.303 276 HG13 VAL 58 HG13 VAL 58 72.286 -0.500 -2.888 277 HG21 VAL 58 HG21 VAL 58 69.945 0.629 -2.656 278 HG22 VAL 58 HG22 VAL 58 70.755 0.310 -1.123 279 HG23 VAL 58 HG23 VAL 58 69.060 -0.114 -1.324 280 H THR 59 H THR 59 69.993 -2.900 -5.368 281 HA THR 59 HA THR 59 70.691 -5.634 -4.452 282 HB THR 59 HB THR 59 69.811 -4.748 -7.214 283 HG1 THR 59 HG1 THR 59 67.921 -5.202 -6.507 284 HG21 THR 59 HG21 THR 59 71.081 -6.623 -7.664 285 HG22 THR 59 HG22 THR 59 69.547 -7.397 -7.266 286 HG23 THR 59 HG23 THR 59 70.830 -7.312 -6.059 287 H LYS 60 H LYS 60 72.793 -6.072 -4.523 288 HA LYS 60 HA LYS 60 74.636 -4.276 -5.865 289 HB2 LYS 60 HB2 LYS 60 75.072 -6.742 -4.170 290 HB3 LYS 60 HB3 LYS 60 76.362 -5.717 -4.798 291 HG2 LYS 60 HG2 LYS 60 75.503 -3.800 -3.575 292 HG3 LYS 60 HG3 LYS 60 74.104 -4.729 -3.035 293 HD2 LYS 60 HD2 LYS 60 75.690 -4.714 -1.221 294 HD3 LYS 60 HD3 LYS 60 75.712 -6.333 -1.923 295 HE2 LYS 60 HE2 LYS 60 77.725 -5.832 -3.173 296 HE3 LYS 60 HE3 LYS 60 77.662 -4.141 -2.680 297 HZ1 LYS 60 HZ1 LYS 60 79.220 -5.257 -1.295 298 HZ2 LYS 60 HZ2 LYS 60 78.117 -6.499 -0.941 299 HZ3 LYS 60 HZ3 LYS 60 77.850 -4.929 -0.350 300 H LYS 61 H LYS 61 76.265 -5.019 -7.368 301 HA LYS 61 HA LYS 61 75.372 -6.585 -9.488 302 HB2 LYS 61 HB2 LYS 61 78.226 -6.074 -8.627 303 HB3 LYS 61 HB3 LYS 61 77.737 -6.701 -10.201 304 HG2 LYS 61 HG2 LYS 61 76.296 -4.626 -10.455 305 HG3 LYS 61 HG3 LYS 61 77.102 -3.988 -9.021 306 HD2 LYS 61 HD2 LYS 61 78.535 -4.912 -11.529 307 HD3 LYS 61 HD3 LYS 61 78.168 -3.229 -11.150 308 HE2 LYS 61 HE2 LYS 61 79.440 -3.541 -8.984 309 HE3 LYS 61 HE3 LYS 61 79.964 -5.108 -9.599 310 HZ1 LYS 61 HZ1 LYS 61 80.877 -3.953 -11.548 311 HZ2 LYS 61 HZ2 LYS 61 81.609 -3.452 -10.099 312 HZ3 LYS 61 HZ3 LYS 61 80.454 -2.463 -10.858 313 H ASP 62 H ASP 62 76.917 -7.612 -6.505 314 HA ASP 62 HA ASP 62 77.602 -10.235 -7.495 315 HB2 ASP 62 HB2 ASP 62 78.792 -8.909 -5.658 316 HB3 ASP 62 HB3 ASP 62 77.475 -9.416 -4.604 317 H SER 63 H SER 63 74.620 -9.174 -7.174 318 HA SER 63 HA SER 63 72.618 -10.252 -7.024 319 HB2 SER 63 HB2 SER 63 74.034 -12.767 -6.167 320 HB3 SER 63 HB3 SER 63 72.460 -12.605 -6.937 321 HG SER 63 HG SER 63 74.986 -12.304 -8.016 322 H ASN 64 H ASN 64 74.672 -9.793 -4.386 323 HA ASN 64 HA ASN 64 72.991 -10.865 -2.329 324 HB2 ASN 64 HB2 ASN 64 75.082 -8.677 -2.213 325 HB3 ASN 64 HB3 ASN 64 74.361 -9.482 -0.820 326 HD21 ASN 64 HD21 ASN 64 77.237 -9.488 -1.926 327 HD22 ASN 64 HD22 ASN 64 77.619 -11.137 -2.055 328 H ARG 65 H ARG 65 71.270 -9.925 -1.303 329 HA ARG 65 HA ARG 65 70.443 -7.243 -2.267 330 HB2 ARG 65 HB2 ARG 65 68.778 -9.547 -1.231 331 HB3 ARG 65 HB3 ARG 65 68.147 -7.967 -1.699 332 HG2 ARG 65 HG2 ARG 65 69.103 -8.299 -3.977 333 HG3 ARG 65 HG3 ARG 65 69.609 -9.920 -3.500 334 HD2 ARG 65 HD2 ARG 65 67.203 -10.413 -2.926 335 HD3 ARG 65 HD3 ARG 65 66.776 -8.863 -3.643 336 HE ARG 65 HE ARG 65 67.644 -11.263 -5.053 337 HH11 ARG 65 HH11 ARG 65 67.016 -7.815 -5.274 338 HH12 ARG 65 HH12 ARG 65 66.877 -7.850 -7.000 339 HH21 ARG 65 HH21 ARG 65 67.457 -11.245 -7.275 340 HH22 ARG 65 HH22 ARG 65 67.125 -9.769 -8.117 341 H TYR 66 H TYR 66 69.834 -5.687 -0.834 342 HA TYR 66 HA TYR 66 69.539 -6.320 1.984 343 HB2 TYR 66 HB2 TYR 66 71.288 -4.923 2.781 344 HB3 TYR 66 HB3 TYR 66 71.982 -6.045 1.635 345 HD1 TYR 66 HD1 TYR 66 71.036 -2.533 2.254 346 HD2 TYR 66 HD2 TYR 66 72.955 -5.268 -0.445 347 HE1 TYR 66 HE1 TYR 66 72.051 -0.623 1.043 348 HE2 TYR 66 HE2 TYR 66 73.967 -3.357 -1.660 349 HH TYR 66 HH TYR 66 74.533 -0.890 -0.999 350 H THR 67 H THR 67 68.936 -4.391 3.263 351 HA THR 67 HA THR 67 67.586 -2.326 1.626 352 HB THR 67 HB THR 67 66.530 -3.505 4.208 353 HG1 THR 67 HG1 THR 67 65.433 -4.816 2.984 354 HG21 THR 67 HG21 THR 67 65.971 -1.084 3.296 355 HG22 THR 67 HG22 THR 67 64.689 -2.117 3.926 356 HG23 THR 67 HG23 THR 67 64.931 -1.975 2.185 357 H THR 68 H THR 68 67.902 -0.257 2.275 358 HA THR 68 HA THR 68 69.355 0.176 4.828 359 HB THR 68 HB THR 68 70.898 0.350 2.924 360 HG1 THR 68 HG1 THR 68 71.570 2.419 3.465 361 HG21 THR 68 HG21 THR 68 70.594 1.884 1.143 362 HG22 THR 68 HG22 THR 68 69.273 2.709 1.972 363 HG23 THR 68 HG23 THR 68 69.029 1.087 1.320 364 H TYR 69 H TYR 69 68.861 2.010 5.987 365 HA TYR 69 HA TYR 69 66.410 3.424 5.140 366 HB2 TYR 69 HB2 TYR 69 67.734 3.321 7.853 367 HB3 TYR 69 HB3 TYR 69 66.192 4.066 7.479 368 HD1 TYR 69 HD1 TYR 69 67.991 0.903 7.991 369 HD2 TYR 69 HD2 TYR 69 64.198 2.702 7.081 370 HE1 TYR 69 HE1 TYR 69 66.858 -1.253 8.454 371 HE2 TYR 69 HE2 TYR 69 63.065 0.545 7.544 372 HH TYR 69 HH TYR 69 64.018 -1.700 9.154 373 H ILE 70 H ILE 70 66.387 5.638 4.871 374 HA ILE 70 HA ILE 70 69.005 6.936 4.803 375 HB ILE 70 HB ILE 70 66.389 8.158 3.931 376 HG12 ILE 70 HG12 ILE 70 68.351 6.656 2.168 377 HG13 ILE 70 HG13 ILE 70 66.837 5.957 2.747 378 HG21 ILE 70 HG21 ILE 70 68.549 9.503 4.304 379 HG22 ILE 70 HG22 ILE 70 67.766 9.671 2.732 380 HG23 ILE 70 HG23 ILE 70 69.187 8.640 2.906 381 HD11 ILE 70 HD11 ILE 70 65.815 8.207 1.755 382 HD12 ILE 70 HD12 ILE 70 66.127 6.818 0.717 383 HD13 ILE 70 HD13 ILE 70 67.272 8.157 0.765 384 HA PRO 71 HA PRO 71 67.779 8.645 8.884 385 HB2 PRO 71 HB2 PRO 71 69.908 10.491 9.003 386 HB3 PRO 71 HB3 PRO 71 69.881 8.864 9.701 387 HG2 PRO 71 HG2 PRO 71 71.103 9.818 7.190 388 HG3 PRO 71 HG3 PRO 71 71.614 8.519 8.283 389 HD2 PRO 71 HD2 PRO 71 70.441 8.003 5.895 390 HD3 PRO 71 HD3 PRO 71 70.209 6.950 7.301 391 H VAL 72 H VAL 72 68.882 10.719 6.206 392 HA VAL 72 HA VAL 72 66.508 12.399 6.612 393 HB VAL 72 HB VAL 72 69.293 13.516 6.167 394 HG11 VAL 72 HG11 VAL 72 67.420 14.787 5.112 395 HG12 VAL 72 HG12 VAL 72 68.203 15.689 6.410 396 HG13 VAL 72 HG13 VAL 72 66.648 14.907 6.693 397 HG21 VAL 72 HG21 VAL 72 67.499 13.741 8.604 398 HG22 VAL 72 HG22 VAL 72 69.137 14.374 8.434 399 HG23 VAL 72 HG23 VAL 72 68.865 12.632 8.486 400 H GLN 73 H GLN 73 65.610 13.148 4.700 401 HA GLN 73 HA GLN 73 66.076 11.680 2.361 402 HB2 GLN 73 HB2 GLN 73 63.978 12.922 2.887 403 HB3 GLN 73 HB3 GLN 73 64.827 14.431 2.553 404 HG2 GLN 73 HG2 GLN 73 65.364 13.538 0.262 405 HG3 GLN 73 HG3 GLN 73 64.322 12.162 0.611 406 HE21 GLN 73 HE21 GLN 73 62.301 12.463 -0.323 407 HE22 GLN 73 HE22 GLN 73 61.484 13.947 -0.421 408 H ASP 74 H ASP 74 67.519 11.853 0.758 409 HA ASP 74 HA ASP 74 69.244 14.266 0.681 410 HB2 ASP 74 HB2 ASP 74 70.114 11.873 1.429 411 HB3 ASP 74 HB3 ASP 74 70.207 11.616 -0.309 412 HA PRO 75 HA PRO 75 67.115 14.080 -3.446 413 HB2 PRO 75 HB2 PRO 75 68.071 16.907 -3.423 414 HB3 PRO 75 HB3 PRO 75 66.485 16.253 -3.884 415 HG2 PRO 75 HG2 PRO 75 66.766 17.526 -1.600 416 HG3 PRO 75 HG3 PRO 75 65.782 16.050 -1.685 417 HD2 PRO 75 HD2 PRO 75 68.585 16.372 -0.635 418 HD3 PRO 75 HD3 PRO 75 67.235 15.426 0.038 419 H LYS 76 H LYS 76 70.270 15.262 -2.449 420 HA LYS 76 HA LYS 76 71.433 15.554 -5.026 421 HB2 LYS 76 HB2 LYS 76 72.393 16.513 -2.934 422 HB3 LYS 76 HB3 LYS 76 72.827 14.881 -2.425 423 HG2 LYS 76 HG2 LYS 76 74.252 14.607 -4.389 424 HG3 LYS 76 HG3 LYS 76 73.765 16.190 -4.995 425 HD2 LYS 76 HD2 LYS 76 75.905 16.457 -3.914 426 HD3 LYS 76 HD3 LYS 76 74.688 17.193 -2.870 427 HE2 LYS 76 HE2 LYS 76 74.722 15.378 -1.352 428 HE3 LYS 76 HE3 LYS 76 75.531 14.319 -2.507 429 HZ1 LYS 76 HZ1 LYS 76 76.762 16.774 -1.387 430 HZ2 LYS 76 HZ2 LYS 76 77.522 15.569 -2.312 431 HZ3 LYS 76 HZ3 LYS 76 76.995 15.226 -0.734 432 H LEU 77 H LEU 77 70.952 12.768 -2.938 433 HA LEU 77 HA LEU 77 72.865 11.037 -4.032 434 HB2 LEU 77 HB2 LEU 77 71.529 10.584 -1.975 435 HB3 LEU 77 HB3 LEU 77 70.120 10.288 -2.995 436 HG LEU 77 HG LEU 77 71.505 8.533 -4.206 437 HD11 LEU 77 HD11 LEU 77 73.350 9.220 -1.915 438 HD12 LEU 77 HD12 LEU 77 73.735 9.110 -3.633 439 HD13 LEU 77 HD13 LEU 77 73.406 7.645 -2.708 440 HD21 LEU 77 HD21 LEU 77 69.801 8.016 -2.444 441 HD22 LEU 77 HD22 LEU 77 71.083 8.084 -1.235 442 HD23 LEU 77 HD23 LEU 77 71.118 6.844 -2.489 443 H LEU 78 H LEU 78 69.619 11.890 -5.152 444 HA LEU 78 HA LEU 78 69.266 9.848 -7.054 445 HB2 LEU 78 HB2 LEU 78 68.324 12.724 -7.215 446 HB3 LEU 78 HB3 LEU 78 67.666 11.362 -8.121 447 HG LEU 78 HG LEU 78 67.681 11.574 -5.095 448 HD11 LEU 78 HD11 LEU 78 65.194 11.840 -5.429 449 HD12 LEU 78 HD12 LEU 78 65.505 12.039 -7.154 450 HD13 LEU 78 HD13 LEU 78 66.145 13.210 -6.001 451 HD21 LEU 78 HD21 LEU 78 66.715 9.527 -7.082 452 HD22 LEU 78 HD22 LEU 78 65.902 9.698 -5.525 453 HD23 LEU 78 HD23 LEU 78 67.615 9.278 -5.585 454 H ASP 79 H ASP 79 70.714 13.078 -7.358 455 HA ASP 79 HA ASP 79 71.210 12.956 -10.131 456 HB2 ASP 79 HB2 ASP 79 72.643 14.510 -7.964 457 HB3 ASP 79 HB3 ASP 79 72.845 14.781 -9.693 458 H ASN 80 H ASN 80 73.220 12.036 -7.352 459 HA ASN 80 HA ASN 80 75.591 11.513 -8.758 460 HB2 ASN 80 HB2 ASN 80 75.171 11.588 -6.216 461 HB3 ASN 80 HB3 ASN 80 74.687 9.902 -6.380 462 HD21 ASN 80 HD21 ASN 80 77.401 11.957 -7.611 463 HD22 ASN 80 HD22 ASN 80 78.605 10.810 -7.264 464 H LEU 81 H LEU 81 72.940 9.281 -7.880 465 HA LEU 81 HA LEU 81 74.051 6.964 -9.019 466 HB2 LEU 81 HB2 LEU 81 71.126 7.701 -8.749 467 HB3 LEU 81 HB3 LEU 81 71.762 6.078 -9.009 468 HG LEU 81 HG LEU 81 72.425 7.821 -6.618 469 HD11 LEU 81 HD11 LEU 81 70.556 5.447 -6.895 470 HD12 LEU 81 HD12 LEU 81 70.074 7.114 -6.579 471 HD13 LEU 81 HD13 LEU 81 70.995 6.218 -5.370 472 HD21 LEU 81 HD21 LEU 81 73.231 5.553 -5.747 473 HD22 LEU 81 HD22 LEU 81 74.220 6.289 -7.009 474 HD23 LEU 81 HD23 LEU 81 73.107 4.981 -7.412 475 H LEU 82 H LEU 82 72.168 9.578 -10.492 476 HA LEU 82 HA LEU 82 71.745 8.220 -12.965 477 HB2 LEU 82 HB2 LEU 82 71.797 11.186 -12.344 478 HB3 LEU 82 HB3 LEU 82 71.252 10.490 -13.868 479 HG LEU 82 HG LEU 82 70.053 9.803 -11.171 480 HD11 LEU 82 HD11 LEU 82 69.100 11.701 -13.338 481 HD12 LEU 82 HD12 LEU 82 69.599 12.147 -11.706 482 HD13 LEU 82 HD13 LEU 82 68.134 11.195 -11.951 483 HD21 LEU 82 HD21 LEU 82 69.616 8.019 -12.664 484 HD22 LEU 82 HD22 LEU 82 69.422 9.105 -14.039 485 HD23 LEU 82 HD23 LEU 82 68.179 9.034 -12.790 486 H THR 83 H THR 83 74.283 10.462 -11.865 487 HA THR 83 HA THR 83 75.634 10.688 -14.309 488 HB THR 83 HB THR 83 76.884 10.686 -11.555 489 HG1 THR 83 HG1 THR 83 75.829 12.446 -11.325 490 HG21 THR 83 HG21 THR 83 78.331 12.441 -12.815 491 HG22 THR 83 HG22 THR 83 77.700 11.684 -14.276 492 HG23 THR 83 HG23 THR 83 78.634 10.732 -13.123 493 H LYS 84 H LYS 84 75.755 8.138 -11.872 494 HA LYS 84 HA LYS 84 77.980 6.817 -13.190 495 HB2 LYS 84 HB2 LYS 84 76.253 5.909 -10.885 496 HB3 LYS 84 HB3 LYS 84 77.683 5.064 -11.480 497 HG2 LYS 84 HG2 LYS 84 78.964 7.237 -11.098 498 HG3 LYS 84 HG3 LYS 84 77.545 7.807 -10.218 499 HD2 LYS 84 HD2 LYS 84 79.063 5.263 -9.572 500 HD3 LYS 84 HD3 LYS 84 79.258 6.792 -8.715 501 HE2 LYS 84 HE2 LYS 84 76.676 5.216 -8.938 502 HE3 LYS 84 HE3 LYS 84 77.707 5.306 -7.512 503 HZ1 LYS 84 HZ1 LYS 84 77.373 7.873 -7.952 504 HZ2 LYS 84 HZ2 LYS 84 76.272 6.970 -7.026 505 HZ3 LYS 84 HZ3 LYS 84 75.930 7.320 -8.653 506 H ASN 85 H ASN 85 74.817 6.995 -14.081 507 HA ASN 85 HA ASN 85 73.434 5.724 -15.371 508 HB2 ASN 85 HB2 ASN 85 75.888 4.039 -15.925 509 HB3 ASN 85 HB3 ASN 85 74.422 4.131 -16.892 510 HD21 ASN 85 HD21 ASN 85 73.983 6.926 -16.940 511 HD22 ASN 85 HD22 ASN 85 75.275 7.672 -17.750 512 H VAL 86 H VAL 86 73.498 5.178 -12.612 513 HA VAL 86 HA VAL 86 73.209 2.272 -12.405 514 HB VAL 86 HB VAL 86 72.822 4.435 -10.316 515 HG11 VAL 86 HG11 VAL 86 73.219 1.452 -9.958 516 HG12 VAL 86 HG12 VAL 86 71.636 2.229 -9.937 517 HG13 VAL 86 HG13 VAL 86 72.834 2.635 -8.710 518 HG21 VAL 86 HG21 VAL 86 75.166 4.161 -11.290 519 HG22 VAL 86 HG22 VAL 86 75.148 2.522 -10.643 520 HG23 VAL 86 HG23 VAL 86 75.032 3.902 -9.551 521 H LYS 87 H LYS 87 71.217 1.248 -12.046 522 HA LYS 87 HA LYS 87 68.992 2.518 -13.330 523 HB2 LYS 87 HB2 LYS 87 69.435 0.054 -13.404 524 HB3 LYS 87 HB3 LYS 87 69.002 -0.032 -11.696 525 HG2 LYS 87 HG2 LYS 87 66.777 0.943 -12.240 526 HG3 LYS 87 HG3 LYS 87 67.210 0.918 -13.950 527 HD2 LYS 87 HD2 LYS 87 67.582 -1.556 -13.759 528 HD3 LYS 87 HD3 LYS 87 66.959 -1.476 -12.110 529 HE2 LYS 87 HE2 LYS 87 65.079 -2.072 -13.427 530 HE3 LYS 87 HE3 LYS 87 64.886 -0.344 -13.129 531 HZ1 LYS 87 HZ1 LYS 87 66.327 -0.271 -15.342 532 HZ2 LYS 87 HZ2 LYS 87 64.629 -0.323 -15.355 533 HZ3 LYS 87 HZ3 LYS 87 65.526 -1.744 -15.599 534 H VAL 88 H VAL 88 67.265 3.552 -12.457 535 HA VAL 88 HA VAL 88 67.051 3.634 -9.508 536 HB VAL 88 HB VAL 88 66.845 6.045 -11.332 537 HG11 VAL 88 HG11 VAL 88 66.723 7.297 -9.212 538 HG12 VAL 88 HG12 VAL 88 66.796 5.784 -8.309 539 HG13 VAL 88 HG13 VAL 88 65.399 6.137 -9.326 540 HG21 VAL 88 HG21 VAL 88 68.902 6.698 -9.838 541 HG22 VAL 88 HG22 VAL 88 69.152 5.638 -11.226 542 HG23 VAL 88 HG23 VAL 88 69.055 4.956 -9.603 543 H VAL 89 H VAL 89 65.068 3.364 -8.760 544 HA VAL 89 HA VAL 89 62.774 3.719 -10.614 545 HB VAL 89 HB VAL 89 62.970 1.702 -8.364 546 HG11 VAL 89 HG11 VAL 89 60.920 0.795 -9.403 547 HG12 VAL 89 HG12 VAL 89 60.955 2.095 -10.595 548 HG13 VAL 89 HG13 VAL 89 60.692 2.467 -8.892 549 HG21 VAL 89 HG21 VAL 89 64.429 0.794 -9.946 550 HG22 VAL 89 HG22 VAL 89 63.557 1.502 -11.307 551 HG23 VAL 89 HG23 VAL 89 62.886 0.109 -10.457 552 H GLY 90 H GLY 90 61.135 4.996 -9.874 553 HA2 GLY 90 HA2 GLY 90 61.288 5.897 -7.046 554 HA3 GLY 90 HA3 GLY 90 60.804 6.938 -8.380 555 H GLU 91 H GLU 91 59.569 5.469 -5.810 556 HA GLU 91 HA GLU 91 56.894 5.525 -6.950 557 HB2 GLU 91 HB2 GLU 91 58.160 3.023 -5.859 558 HB3 GLU 91 HB3 GLU 91 56.417 3.269 -5.764 559 HG2 GLU 91 HG2 GLU 91 56.496 3.780 -8.268 560 HG3 GLU 91 HG3 GLU 91 58.137 3.138 -8.245 561 HA PRO 92 HA PRO 92 57.402 7.390 -2.757 562 HB2 PRO 92 HB2 PRO 92 55.196 9.087 -3.013 563 HB3 PRO 92 HB3 PRO 92 56.876 9.508 -3.391 564 HG2 PRO 92 HG2 PRO 92 54.682 8.692 -5.207 565 HG3 PRO 92 HG3 PRO 92 55.989 9.862 -5.460 566 HD2 PRO 92 HD2 PRO 92 56.047 7.403 -6.580 567 HD3 PRO 92 HD3 PRO 92 57.530 8.232 -6.056 568 HA PRO 93 HA PRO 93 54.364 4.692 -0.831 569 HB2 PRO 93 HB2 PRO 93 54.246 6.698 1.377 570 HB3 PRO 93 HB3 PRO 93 54.573 4.955 1.450 571 HG2 PRO 93 HG2 PRO 93 56.534 6.676 1.769 572 HG3 PRO 93 HG3 PRO 93 56.780 5.208 0.799 573 HD2 PRO 93 HD2 PRO 93 56.306 8.024 -0.153 574 HD3 PRO 93 HD3 PRO 93 57.442 6.800 -0.765 575 H GLU 94 H GLU 94 52.131 4.524 -0.690 576 HA GLU 94 HA GLU 94 50.571 6.998 -1.151 577 HB2 GLU 94 HB2 GLU 94 49.866 4.106 -1.710 578 HB3 GLU 94 HB3 GLU 94 48.806 5.485 -1.998 579 HG2 GLU 94 HG2 GLU 94 50.527 6.452 -3.515 580 HG3 GLU 94 HG3 GLU 94 51.511 5.015 -3.279 581 H GLU 95 H GLU 95 49.363 7.726 0.465 582 HA GLU 95 HA GLU 95 48.313 5.864 2.480 583 HB2 GLU 95 HB2 GLU 95 50.150 8.187 3.022 584 HB3 GLU 95 HB3 GLU 95 49.041 7.569 4.247 585 HG2 GLU 95 HG2 GLU 95 50.914 5.728 2.764 586 HG3 GLU 95 HG3 GLU 95 51.432 6.593 4.209 587 HA PRO 96 HA PRO 96 45.033 8.822 1.035 588 HB2 PRO 96 HB2 PRO 96 43.505 7.031 2.881 589 HB3 PRO 96 HB3 PRO 96 43.052 7.657 1.284 590 HG2 PRO 96 HG2 PRO 96 43.878 5.147 1.622 591 HG3 PRO 96 HG3 PRO 96 44.262 6.076 0.163 592 HD2 PRO 96 HD2 PRO 96 46.052 5.265 2.380 593 HD3 PRO 96 HD3 PRO 96 46.447 5.664 0.697 594 H LEU 97 H LEU 97 45.828 7.762 4.321 595 HA LEU 97 HA LEU 97 44.338 9.753 5.697 596 HB2 LEU 97 HB2 LEU 97 46.839 8.286 6.573 597 HB3 LEU 97 HB3 LEU 97 45.739 9.172 7.627 598 HG LEU 97 HG LEU 97 44.946 6.794 5.920 599 HD11 LEU 97 HD11 LEU 97 46.409 6.036 7.687 600 HD12 LEU 97 HD12 LEU 97 44.754 5.662 8.170 601 HD13 LEU 97 HD13 LEU 97 45.585 7.051 8.871 602 HD21 LEU 97 HD21 LEU 97 43.011 8.122 6.276 603 HD22 LEU 97 HD22 LEU 97 43.504 8.546 7.915 604 HD23 LEU 97 HD23 LEU 97 42.948 6.911 7.557 605 H GLU 98 H GLU 98 47.689 9.606 4.549 606 HA GLU 98 HA GLU 98 48.582 12.031 5.649 607 HB2 GLU 98 HB2 GLU 98 49.458 10.577 3.149 608 HB3 GLU 98 HB3 GLU 98 50.324 11.938 3.865 609 HG2 GLU 98 HG2 GLU 98 50.512 10.667 5.992 610 HG3 GLU 98 HG3 GLU 98 49.721 9.298 5.225 611 H HIS 99 H HIS 99 46.723 11.390 2.726 612 HA HIS 99 HA HIS 99 47.120 13.784 1.354 613 HB2 HIS 99 HB2 HIS 99 44.740 11.958 1.543 614 HB3 HIS 99 HB3 HIS 99 44.740 13.382 0.520 615 HD1 HIS 99 HD1 HIS 99 46.522 10.070 0.955 616 HD2 HIS 99 HD2 HIS 99 46.071 13.053 -1.919 617 HE1 HIS 99 HE1 HIS 99 47.571 9.179 -1.169 618 H HIS 100 H HIS 100 45.028 13.096 4.120 619 HA HIS 100 HA HIS 100 43.419 15.380 4.061 620 HB2 HIS 100 HB2 HIS 100 43.090 13.468 5.581 621 HB3 HIS 100 HB3 HIS 100 44.517 13.946 6.481 622 HD1 HIS 100 HD1 HIS 100 41.207 15.545 5.431 623 HD2 HIS 100 HD2 HIS 100 43.862 15.512 8.646 624 HE1 HIS 100 HE1 HIS 100 40.174 16.996 7.228 625 H HIS 101 H HIS 101 46.740 14.988 5.204 626 HA HIS 101 HA HIS 101 47.040 17.429 6.552 627 HB2 HIS 101 HB2 HIS 101 48.700 15.598 6.569 628 HB3 HIS 101 HB3 HIS 101 49.084 15.946 4.895 629 HD1 HIS 101 HD1 HIS 101 48.999 17.877 8.193 630 HD2 HIS 101 HD2 HIS 101 51.255 17.621 4.697 631 HE1 HIS 101 HE1 HIS 101 50.937 19.481 8.474 632 H HIS 102 H HIS 102 47.288 16.636 3.109 633 HA HIS 102 HA HIS 102 48.346 19.046 2.168 634 HB2 HIS 102 HB2 HIS 102 48.060 16.998 0.814 635 HB3 HIS 102 HB3 HIS 102 46.326 17.256 0.815 636 HD1 HIS 102 HD1 HIS 102 49.449 19.217 -0.193 637 HD2 HIS 102 HD2 HIS 102 45.510 18.628 -1.425 638 HE1 HIS 102 HE1 HIS 102 49.162 20.543 -2.329 639 H HIS 103 H HIS 103 45.007 18.161 2.940 640 HA HIS 103 HA HIS 103 43.714 20.396 1.838 641 HB2 HIS 103 HB2 HIS 103 42.555 18.387 2.681 642 HB3 HIS 103 HB3 HIS 103 42.981 18.839 4.320 643 HD1 HIS 103 HD1 HIS 103 41.157 20.442 1.368 644 HD2 HIS 103 HD2 HIS 103 40.950 20.248 5.528 645 HE1 HIS 103 HE1 HIS 103 39.106 21.763 2.045 646 H HIS 104 H HIS 104 43.146 22.395 2.669 647 HA HIS 104 HA HIS 104 44.932 23.415 4.744 648 HB2 HIS 104 HB2 HIS 104 42.969 24.811 2.923 649 HB3 HIS 104 HB3 HIS 104 44.024 25.621 4.066 650 HD1 HIS 104 HD1 HIS 104 44.006 23.876 0.757 651 HD2 HIS 104 HD2 HIS 104 46.765 25.743 3.263 652 HE1 HIS 104 HE1 HIS 104 46.117 24.181 -0.606 Start of MODEL 13 1 H1 MET 23 HT1 MET 23 56.596 -13.256 -2.130 2 H2 MET 23 HT2 MET 23 58.236 -12.996 -1.771 3 H3 MET 23 HT3 MET 23 57.540 -12.279 -3.145 4 HA MET 23 HA MET 23 55.962 -11.141 -1.495 5 HB2 MET 23 HB2 MET 23 58.325 -11.857 0.272 6 HB3 MET 23 HB3 MET 23 56.989 -10.800 0.721 7 HG2 MET 23 HG2 MET 23 56.773 -13.745 0.027 8 HG3 MET 23 HG3 MET 23 56.647 -13.053 1.640 9 HE1 MET 23 HE1 MET 23 54.888 -10.303 0.976 10 HE2 MET 23 HE2 MET 23 55.056 -11.381 2.360 11 HE3 MET 23 HE3 MET 23 53.458 -11.062 1.688 12 H ALA 24 H ALA 24 56.292 -8.946 -1.564 13 HA ALA 24 HA ALA 24 58.309 -7.939 -3.254 14 HB1 ALA 24 HB1 ALA 24 57.364 -5.825 -2.886 15 HB2 ALA 24 HB2 ALA 24 56.850 -6.236 -1.249 16 HB3 ALA 24 HB3 ALA 24 56.009 -6.926 -2.637 17 H SER 25 H SER 25 58.086 -8.130 0.270 18 HA SER 25 HA SER 25 60.847 -7.061 0.451 19 HB2 SER 25 HB2 SER 25 58.649 -6.967 2.532 20 HB3 SER 25 HB3 SER 25 60.283 -6.339 2.724 21 HG SER 25 HG SER 25 58.564 -4.872 1.975 22 H GLU 26 H GLU 26 62.325 -8.164 1.696 23 HA GLU 26 HA GLU 26 61.450 -10.709 2.921 24 HB2 GLU 26 HB2 GLU 26 62.440 -11.051 0.623 25 HB3 GLU 26 HB3 GLU 26 63.952 -10.393 1.247 26 HG2 GLU 26 HG2 GLU 26 63.958 -12.153 3.003 27 HG3 GLU 26 HG3 GLU 26 62.500 -12.836 2.300 28 H SER 27 H SER 27 61.993 -10.679 5.003 29 HA SER 27 HA SER 27 63.586 -8.717 6.213 30 HB2 SER 27 HB2 SER 27 63.398 -10.041 8.233 31 HB3 SER 27 HB3 SER 27 61.865 -10.087 7.369 32 HG SER 27 HG SER 27 62.212 -12.130 6.995 33 H ASN 28 H ASN 28 64.500 -11.802 4.826 34 HA ASN 28 HA ASN 28 66.917 -12.283 6.110 35 HB2 ASN 28 HB2 ASN 28 65.721 -13.748 4.420 36 HB3 ASN 28 HB3 ASN 28 66.447 -12.745 3.168 37 HD21 ASN 28 HD21 ASN 28 67.174 -15.385 3.102 38 HD22 ASN 28 HD22 ASN 28 68.754 -15.599 3.685 39 H GLY 29 H GLY 29 66.177 -9.864 3.674 40 HA2 GLY 29 HA2 GLY 29 68.700 -9.317 2.639 41 HA3 GLY 29 HA3 GLY 29 67.432 -8.114 2.853 42 H ARG 30 H ARG 30 70.516 -8.403 3.408 43 HA ARG 30 HA ARG 30 70.908 -8.165 6.208 44 HB2 ARG 30 HB2 ARG 30 72.597 -7.018 3.969 45 HB3 ARG 30 HB3 ARG 30 73.113 -7.266 5.636 46 HG2 ARG 30 HG2 ARG 30 72.162 -9.489 3.811 47 HG3 ARG 30 HG3 ARG 30 73.857 -9.087 4.075 48 HD2 ARG 30 HD2 ARG 30 73.500 -9.461 6.531 49 HD3 ARG 30 HD3 ARG 30 71.869 -10.016 6.166 50 HE ARG 30 HE ARG 30 74.018 -11.373 4.743 51 HH11 ARG 30 HH11 ARG 30 71.846 -11.439 7.500 52 HH12 ARG 30 HH12 ARG 30 72.031 -13.145 7.733 53 HH21 ARG 30 HH21 ARG 30 74.217 -13.569 5.092 54 HH22 ARG 30 HH22 ARG 30 73.357 -14.334 6.385 55 H LYS 31 H LYS 31 71.092 -6.365 7.559 56 HA LYS 31 HA LYS 31 69.699 -3.969 6.670 57 HB2 LYS 31 HB2 LYS 31 71.036 -4.599 9.315 58 HB3 LYS 31 HB3 LYS 31 70.016 -3.197 8.989 59 HG2 LYS 31 HG2 LYS 31 68.180 -4.825 8.330 60 HG3 LYS 31 HG3 LYS 31 69.197 -6.111 8.982 61 HD2 LYS 31 HD2 LYS 31 68.290 -3.678 10.547 62 HD3 LYS 31 HD3 LYS 31 67.532 -5.267 10.640 63 HE2 LYS 31 HE2 LYS 31 69.674 -6.244 11.394 64 HE3 LYS 31 HE3 LYS 31 70.421 -4.648 11.321 65 HZ1 LYS 31 HZ1 LYS 31 68.462 -5.700 13.220 66 HZ2 LYS 31 HZ2 LYS 31 68.376 -4.050 12.827 67 HZ3 LYS 31 HZ3 LYS 31 69.801 -4.694 13.491 68 H VAL 32 H VAL 32 70.622 -2.039 6.148 69 HA VAL 32 HA VAL 32 73.545 -1.763 6.494 70 HB VAL 32 HB VAL 32 72.017 -1.212 3.939 71 HG11 VAL 32 HG11 VAL 32 74.240 -0.757 2.987 72 HG12 VAL 32 HG12 VAL 32 74.983 -1.033 4.563 73 HG13 VAL 32 HG13 VAL 32 73.909 0.345 4.323 74 HG21 VAL 32 HG21 VAL 32 72.281 -3.575 4.144 75 HG22 VAL 32 HG22 VAL 32 73.906 -3.411 4.808 76 HG23 VAL 32 HG23 VAL 32 73.609 -3.049 3.108 77 H ASP 33 H ASP 33 74.183 0.130 7.224 78 HA ASP 33 HA ASP 33 72.371 2.272 7.788 79 HB2 ASP 33 HB2 ASP 33 75.398 2.149 7.866 80 HB3 ASP 33 HB3 ASP 33 74.419 3.445 8.552 81 H TYR 34 H TYR 34 72.290 4.349 6.833 82 HA TYR 34 HA TYR 34 72.441 4.511 4.059 83 HB2 TYR 34 HB2 TYR 34 71.118 6.049 5.377 84 HB3 TYR 34 HB3 TYR 34 72.554 6.687 6.149 85 HD1 TYR 34 HD1 TYR 34 72.007 5.955 2.524 86 HD2 TYR 34 HD2 TYR 34 72.515 8.961 5.547 87 HE1 TYR 34 HE1 TYR 34 72.185 7.696 0.767 88 HE2 TYR 34 HE2 TYR 34 72.678 10.704 3.790 89 HH TYR 34 HH TYR 34 72.447 11.085 1.560 90 H SER 35 H SER 35 74.876 5.377 6.491 91 HA SER 35 HA SER 35 76.693 6.688 4.800 92 HB2 SER 35 HB2 SER 35 76.824 6.598 7.303 93 HB3 SER 35 HB3 SER 35 77.381 4.933 7.166 94 HG SER 35 HG SER 35 78.611 7.256 6.258 95 H THR 36 H THR 36 76.287 3.250 5.561 96 HA THR 36 HA THR 36 78.648 2.373 4.227 97 HB THR 36 HB THR 36 76.123 0.802 4.784 98 HG1 THR 36 HG1 THR 36 76.750 1.004 6.742 99 HG21 THR 36 HG21 THR 36 77.713 -0.254 3.202 100 HG22 THR 36 HG22 THR 36 77.630 -1.133 4.729 101 HG23 THR 36 HG23 THR 36 78.999 -0.072 4.395 102 H PHE 37 H PHE 37 75.261 2.700 3.208 103 HA PHE 37 HA PHE 37 75.497 1.538 0.680 104 HB2 PHE 37 HB2 PHE 37 73.339 2.117 1.587 105 HB3 PHE 37 HB3 PHE 37 73.758 3.817 1.623 106 HD1 PHE 37 HD2 PHE 37 72.746 0.983 -0.516 107 HD2 PHE 37 HD1 PHE 37 73.742 5.160 -0.403 108 HE1 PHE 37 HE2 PHE 37 71.824 1.272 -2.804 109 HE2 PHE 37 HE1 PHE 37 72.823 5.444 -2.688 110 HZ PHE 37 HZ PHE 37 71.862 3.499 -3.886 111 H LEU 38 H LEU 38 76.110 4.912 1.676 112 HA LEU 38 HA LEU 38 76.584 5.931 -0.897 113 HB2 LEU 38 HB2 LEU 38 77.779 6.812 1.744 114 HB3 LEU 38 HB3 LEU 38 77.780 7.759 0.254 115 HG LEU 38 HG LEU 38 75.269 6.746 1.620 116 HD11 LEU 38 HD11 LEU 38 75.052 9.325 2.026 117 HD12 LEU 38 HD12 LEU 38 76.806 9.321 1.844 118 HD13 LEU 38 HD13 LEU 38 76.049 8.365 3.118 119 HD21 LEU 38 HD21 LEU 38 75.862 8.465 -0.783 120 HD22 LEU 38 HD22 LEU 38 74.352 8.670 0.105 121 HD23 LEU 38 HD23 LEU 38 74.734 7.117 -0.640 122 H GLN 39 H GLN 39 78.783 4.396 1.423 123 HA GLN 39 HA GLN 39 81.169 4.832 -0.020 124 HB2 GLN 39 HB2 GLN 39 81.035 4.026 2.346 125 HB3 GLN 39 HB3 GLN 39 80.521 2.453 1.736 126 HG2 GLN 39 HG2 GLN 39 82.873 2.266 2.036 127 HG3 GLN 39 HG3 GLN 39 82.644 2.483 0.302 128 HE21 GLN 39 HE21 GLN 39 83.979 4.051 -0.597 129 HE22 GLN 39 HE22 GLN 39 84.637 5.369 0.245 130 H GLU 40 H GLU 40 78.828 2.159 -0.141 131 HA GLU 40 HA GLU 40 80.274 0.549 -1.942 132 HB2 GLU 40 HB2 GLU 40 77.296 0.724 -1.462 133 HB3 GLU 40 HB3 GLU 40 78.094 -0.557 -2.378 134 HG2 GLU 40 HG2 GLU 40 79.496 -1.062 -0.379 135 HG3 GLU 40 HG3 GLU 40 78.594 0.144 0.527 136 H VAL 41 H VAL 41 77.870 3.093 -2.516 137 HA VAL 41 HA VAL 41 77.685 2.882 -5.298 138 HB VAL 41 HB VAL 41 77.591 5.382 -3.584 139 HG11 VAL 41 HG11 VAL 41 77.875 5.784 -6.050 140 HG12 VAL 41 HG12 VAL 41 76.346 6.385 -5.408 141 HG13 VAL 41 HG13 VAL 41 76.388 4.876 -6.321 142 HG21 VAL 41 HG21 VAL 41 75.258 3.792 -4.652 143 HG22 VAL 41 HG22 VAL 41 75.270 4.986 -3.354 144 HG23 VAL 41 HG23 VAL 41 75.992 3.400 -3.098 145 H ASN 42 H ASN 42 79.935 4.814 -3.313 146 HA ASN 42 HA ASN 42 81.504 5.855 -5.388 147 HB2 ASN 42 HB2 ASN 42 82.294 5.088 -2.570 148 HB3 ASN 42 HB3 ASN 42 83.264 6.086 -3.653 149 HD21 ASN 42 HD21 ASN 42 81.357 6.495 -1.061 150 HD22 ASN 42 HD22 ASN 42 80.600 7.962 -1.452 151 H ASN 43 H ASN 43 81.521 2.683 -3.895 152 HA ASN 43 HA ASN 43 84.027 1.893 -5.115 153 HB2 ASN 43 HB2 ASN 43 81.956 0.356 -3.543 154 HB3 ASN 43 HB3 ASN 43 83.458 -0.342 -4.141 155 HD21 ASN 43 HD21 ASN 43 82.811 -0.121 -1.319 156 HD22 ASN 43 HD22 ASN 43 83.935 0.941 -0.621 157 H ASP 44 H ASP 44 81.071 2.301 -6.494 158 HA ASP 44 HA ASP 44 80.103 1.594 -8.425 159 HB2 ASP 44 HB2 ASP 44 82.418 2.185 -9.194 160 HB3 ASP 44 HB3 ASP 44 82.834 0.477 -9.061 161 H GLN 45 H GLN 45 79.967 -0.285 -6.165 162 HA GLN 45 HA GLN 45 79.811 -2.836 -7.666 163 HB2 GLN 45 HB2 GLN 45 80.067 -2.247 -4.722 164 HB3 GLN 45 HB3 GLN 45 79.736 -3.862 -5.369 165 HG2 GLN 45 HG2 GLN 45 81.746 -3.852 -6.669 166 HG3 GLN 45 HG3 GLN 45 82.027 -2.154 -6.335 167 HE21 GLN 45 HE21 GLN 45 83.790 -2.020 -5.063 168 HE22 GLN 45 HE22 GLN 45 84.115 -2.977 -3.689 169 H VAL 46 H VAL 46 77.780 -0.407 -6.319 170 HA VAL 46 HA VAL 46 75.489 -2.156 -5.985 171 HB VAL 46 HB VAL 46 75.595 0.872 -6.150 172 HG11 VAL 46 HG11 VAL 46 73.484 -1.117 -5.291 173 HG12 VAL 46 HG12 VAL 46 73.351 0.144 -6.517 174 HG13 VAL 46 HG13 VAL 46 73.434 0.579 -4.808 175 HG21 VAL 46 HG21 VAL 46 75.402 0.678 -3.633 176 HG22 VAL 46 HG22 VAL 46 76.953 0.149 -4.285 177 HG23 VAL 46 HG23 VAL 46 75.746 -1.043 -3.804 178 H ARG 47 H ARG 47 73.868 -2.539 -7.455 179 HA ARG 47 HA ARG 47 74.430 -1.641 -10.214 180 HB2 ARG 47 HB2 ARG 47 74.460 -4.086 -9.741 181 HB3 ARG 47 HB3 ARG 47 72.769 -3.980 -9.255 182 HG2 ARG 47 HG2 ARG 47 72.197 -3.102 -11.508 183 HG3 ARG 47 HG3 ARG 47 73.884 -3.297 -11.991 184 HD2 ARG 47 HD2 ARG 47 73.718 -5.725 -11.441 185 HD3 ARG 47 HD3 ARG 47 72.006 -5.500 -11.094 186 HE ARG 47 HE ARG 47 71.607 -5.463 -13.370 187 HH11 ARG 47 HH11 ARG 47 75.033 -4.888 -12.868 188 HH12 ARG 47 HH12 ARG 47 75.395 -4.961 -14.559 189 HH21 ARG 47 HH21 ARG 47 72.135 -5.547 -15.537 190 HH22 ARG 47 HH22 ARG 47 73.775 -5.329 -16.050 191 H GLU 48 H GLU 48 71.747 -2.226 -7.948 192 HA GLU 48 HA GLU 48 70.113 -0.275 -9.456 193 HB2 GLU 48 HB2 GLU 48 69.509 -2.601 -10.120 194 HB3 GLU 48 HB3 GLU 48 69.120 -2.945 -8.433 195 HG2 GLU 48 HG2 GLU 48 67.462 -1.102 -8.462 196 HG3 GLU 48 HG3 GLU 48 67.811 -0.828 -10.165 197 H ALA 49 H ALA 49 68.867 1.050 -8.241 198 HA ALA 49 HA ALA 49 68.502 0.419 -5.381 199 HB1 ALA 49 HB1 ALA 49 69.148 3.190 -6.395 200 HB2 ALA 49 HB2 ALA 49 70.373 2.089 -5.766 201 HB3 ALA 49 HB3 ALA 49 69.065 2.643 -4.720 202 H ARG 50 H ARG 50 66.404 0.224 -5.065 203 HA ARG 50 HA ARG 50 64.488 1.870 -6.560 204 HB2 ARG 50 HB2 ARG 50 64.144 -0.427 -4.615 205 HB3 ARG 50 HB3 ARG 50 62.802 0.446 -5.351 206 HG2 ARG 50 HG2 ARG 50 63.726 -0.148 -7.606 207 HG3 ARG 50 HG3 ARG 50 64.950 -1.131 -6.801 208 HD2 ARG 50 HD2 ARG 50 61.948 -1.515 -6.623 209 HD3 ARG 50 HD3 ARG 50 63.077 -2.544 -7.498 210 HE ARG 50 HE ARG 50 64.022 -2.531 -4.921 211 HH11 ARG 50 HH11 ARG 50 60.936 -3.365 -6.375 212 HH12 ARG 50 HH12 ARG 50 60.556 -4.521 -5.142 213 HH21 ARG 50 HH21 ARG 50 63.475 -4.031 -3.363 214 HH22 ARG 50 HH22 ARG 50 61.976 -4.891 -3.460 215 H ILE 51 H ILE 51 63.363 3.527 -5.627 216 HA ILE 51 HA ILE 51 63.933 4.126 -2.784 217 HB ILE 51 HB ILE 51 63.258 6.017 -5.053 218 HG12 ILE 51 HG12 ILE 51 65.868 5.623 -3.561 219 HG13 ILE 51 HG13 ILE 51 65.531 4.942 -5.152 220 HG21 ILE 51 HG21 ILE 51 62.475 6.822 -2.857 221 HG22 ILE 51 HG22 ILE 51 63.841 7.781 -3.426 222 HG23 ILE 51 HG23 ILE 51 64.083 6.555 -2.181 223 HD11 ILE 51 HD11 ILE 51 65.754 7.851 -4.376 224 HD12 ILE 51 HD12 ILE 51 64.966 7.347 -5.872 225 HD13 ILE 51 HD13 ILE 51 66.669 6.974 -5.603 226 H ASN 52 H ASN 52 62.283 3.966 -1.439 227 HA ASN 52 HA ASN 52 59.595 4.754 -2.325 228 HB2 ASN 52 HB2 ASN 52 59.852 2.225 -2.376 229 HB3 ASN 52 HB3 ASN 52 60.097 2.298 -0.633 230 HD21 ASN 52 HD21 ASN 52 58.213 2.118 0.584 231 HD22 ASN 52 HD22 ASN 52 56.653 2.471 0.015 232 H GLY 53 H GLY 53 59.629 6.634 -1.138 233 HA2 GLY 53 HA2 GLY 53 59.479 7.984 0.720 234 HA3 GLY 53 HA3 GLY 53 59.065 6.527 1.620 235 H ARG 54 H ARG 54 60.325 6.395 3.344 236 HA ARG 54 HA ARG 54 62.940 7.609 3.476 237 HB2 ARG 54 HB2 ARG 54 61.318 7.496 5.397 238 HB3 ARG 54 HB3 ARG 54 61.625 5.762 5.471 239 HG2 ARG 54 HG2 ARG 54 64.030 6.210 5.842 240 HG3 ARG 54 HG3 ARG 54 63.701 7.946 5.812 241 HD2 ARG 54 HD2 ARG 54 62.109 7.632 7.707 242 HD3 ARG 54 HD3 ARG 54 62.566 5.935 7.774 243 HE ARG 54 HE ARG 54 64.954 7.126 8.019 244 HH11 ARG 54 HH11 ARG 54 61.923 7.839 9.642 245 HH12 ARG 54 HH12 ARG 54 62.709 8.400 11.079 246 HH21 ARG 54 HH21 ARG 54 65.908 7.856 9.901 247 HH22 ARG 54 HH22 ARG 54 64.936 8.411 11.222 248 H GLU 55 H GLU 55 61.804 4.472 2.529 249 HA GLU 55 HA GLU 55 64.350 3.219 3.336 250 HB2 GLU 55 HB2 GLU 55 61.720 1.986 2.492 251 HB3 GLU 55 HB3 GLU 55 63.166 1.085 2.949 252 HG2 GLU 55 HG2 GLU 55 63.134 2.214 5.167 253 HG3 GLU 55 HG3 GLU 55 61.639 3.020 4.712 254 H ILE 56 H ILE 56 65.736 2.392 1.877 255 HA ILE 56 HA ILE 56 64.951 2.382 -0.981 256 HB ILE 56 HB ILE 56 67.734 2.723 0.178 257 HG12 ILE 56 HG12 ILE 56 65.980 4.771 -1.209 258 HG13 ILE 56 HG13 ILE 56 66.203 4.686 0.539 259 HG21 ILE 56 HG21 ILE 56 68.453 3.068 -2.072 260 HG22 ILE 56 HG22 ILE 56 66.795 3.157 -2.664 261 HG23 ILE 56 HG23 ILE 56 67.454 1.616 -2.116 262 HD11 ILE 56 HD11 ILE 56 68.625 5.011 0.265 263 HD12 ILE 56 HD12 ILE 56 67.738 6.338 -0.484 264 HD13 ILE 56 HD13 ILE 56 68.430 5.066 -1.487 265 H ASN 57 H ASN 57 65.037 0.433 -1.967 266 HA ASN 57 HA ASN 57 66.308 -1.807 -0.505 267 HB2 ASN 57 HB2 ASN 57 64.333 -1.866 -2.808 268 HB3 ASN 57 HB3 ASN 57 64.966 -3.272 -1.955 269 HD21 ASN 57 HD21 ASN 57 64.815 -2.447 0.721 270 HD22 ASN 57 HD22 ASN 57 63.194 -2.153 1.134 271 H VAL 58 H VAL 58 68.105 -2.779 -1.377 272 HA VAL 58 HA VAL 58 69.061 -1.663 -3.956 273 HB VAL 58 HB VAL 58 70.721 -2.130 -1.474 274 HG11 VAL 58 HG11 VAL 58 72.294 -0.614 -2.926 275 HG12 VAL 58 HG12 VAL 58 71.295 -1.169 -4.268 276 HG13 VAL 58 HG13 VAL 58 72.188 -2.336 -3.291 277 HG21 VAL 58 HG21 VAL 58 69.955 0.527 -2.708 278 HG22 VAL 58 HG22 VAL 58 70.779 0.248 -1.174 279 HG23 VAL 58 HG23 VAL 58 69.080 -0.179 -1.350 280 H THR 59 H THR 59 69.975 -3.029 -5.336 281 HA THR 59 HA THR 59 70.626 -5.772 -4.414 282 HB THR 59 HB THR 59 69.816 -4.869 -7.193 283 HG1 THR 59 HG1 THR 59 68.382 -6.369 -5.345 284 HG21 THR 59 HG21 THR 59 71.137 -6.786 -7.484 285 HG22 THR 59 HG22 THR 59 69.509 -7.451 -7.358 286 HG23 THR 59 HG23 THR 59 70.594 -7.506 -5.969 287 H LYS 60 H LYS 60 72.718 -6.286 -4.505 288 HA LYS 60 HA LYS 60 74.623 -4.530 -5.807 289 HB2 LYS 60 HB2 LYS 60 74.962 -7.085 -4.223 290 HB3 LYS 60 HB3 LYS 60 76.296 -6.112 -4.846 291 HG2 LYS 60 HG2 LYS 60 75.584 -4.197 -3.533 292 HG3 LYS 60 HG3 LYS 60 74.138 -5.054 -2.999 293 HD2 LYS 60 HD2 LYS 60 75.768 -5.193 -1.221 294 HD3 LYS 60 HD3 LYS 60 75.640 -6.788 -1.959 295 HE2 LYS 60 HE2 LYS 60 77.692 -4.885 -3.031 296 HE3 LYS 60 HE3 LYS 60 78.014 -5.699 -1.502 297 HZ1 LYS 60 HZ1 LYS 60 78.547 -7.512 -2.621 298 HZ2 LYS 60 HZ2 LYS 60 78.218 -6.734 -4.094 299 HZ3 LYS 60 HZ3 LYS 60 76.989 -7.586 -3.288 300 H LYS 61 H LYS 61 76.225 -5.313 -7.338 301 HA LYS 61 HA LYS 61 75.194 -6.671 -9.529 302 HB2 LYS 61 HB2 LYS 61 77.436 -6.725 -10.402 303 HB3 LYS 61 HB3 LYS 61 77.199 -5.203 -9.550 304 HG2 LYS 61 HG2 LYS 61 78.317 -6.206 -7.547 305 HG3 LYS 61 HG3 LYS 61 78.650 -7.653 -8.500 306 HD2 LYS 61 HD2 LYS 61 79.792 -6.114 -10.189 307 HD3 LYS 61 HD3 LYS 61 79.695 -4.852 -8.960 308 HE2 LYS 61 HE2 LYS 61 81.064 -7.539 -8.641 309 HE3 LYS 61 HE3 LYS 61 81.869 -5.982 -8.835 310 HZ1 LYS 61 HZ1 LYS 61 80.332 -7.002 -6.542 311 HZ2 LYS 61 HZ2 LYS 61 80.461 -5.327 -6.796 312 HZ3 LYS 61 HZ3 LYS 61 81.859 -6.263 -6.564 313 H ASP 62 H ASP 62 76.575 -8.021 -6.623 314 HA ASP 62 HA ASP 62 77.041 -10.621 -7.844 315 HB2 ASP 62 HB2 ASP 62 78.473 -9.514 -6.022 316 HB3 ASP 62 HB3 ASP 62 77.200 -10.007 -4.906 317 H SER 63 H SER 63 74.205 -9.354 -7.300 318 HA SER 63 HA SER 63 72.131 -10.268 -7.056 319 HB2 SER 63 HB2 SER 63 73.382 -12.913 -6.350 320 HB3 SER 63 HB3 SER 63 71.785 -12.602 -7.021 321 HG SER 63 HG SER 63 72.699 -12.521 -8.898 322 H ASN 64 H ASN 64 74.361 -10.054 -4.531 323 HA ASN 64 HA ASN 64 72.729 -11.062 -2.406 324 HB2 ASN 64 HB2 ASN 64 74.967 -9.022 -2.358 325 HB3 ASN 64 HB3 ASN 64 74.275 -9.819 -0.946 326 HD21 ASN 64 HD21 ASN 64 77.060 -9.975 -2.354 327 HD22 ASN 64 HD22 ASN 64 77.324 -11.645 -2.492 328 H ARG 65 H ARG 65 71.145 -10.034 -1.242 329 HA ARG 65 HA ARG 65 70.390 -7.322 -2.176 330 HB2 ARG 65 HB2 ARG 65 68.678 -9.556 -1.068 331 HB3 ARG 65 HB3 ARG 65 68.093 -7.951 -1.512 332 HG2 ARG 65 HG2 ARG 65 68.943 -8.313 -3.826 333 HG3 ARG 65 HG3 ARG 65 69.411 -9.952 -3.370 334 HD2 ARG 65 HD2 ARG 65 67.013 -10.365 -2.708 335 HD3 ARG 65 HD3 ARG 65 66.613 -8.797 -3.405 336 HE ARG 65 HE ARG 65 68.043 -10.325 -5.306 337 HH11 ARG 65 HH11 ARG 65 64.883 -10.250 -3.775 338 HH12 ARG 65 HH12 ARG 65 64.104 -11.013 -5.121 339 HH21 ARG 65 HH21 ARG 65 66.984 -11.304 -7.006 340 HH22 ARG 65 HH22 ARG 65 65.279 -11.601 -6.928 341 H TYR 66 H TYR 66 69.851 -5.749 -0.737 342 HA TYR 66 HA TYR 66 69.614 -6.362 2.093 343 HB2 TYR 66 HB2 TYR 66 71.370 -4.943 2.841 344 HB3 TYR 66 HB3 TYR 66 72.050 -6.081 1.699 345 HD1 TYR 66 HD1 TYR 66 70.989 -2.564 2.198 346 HD2 TYR 66 HD2 TYR 66 73.095 -5.331 -0.324 347 HE1 TYR 66 HE1 TYR 66 71.980 -0.668 0.945 348 HE2 TYR 66 HE2 TYR 66 74.082 -3.434 -1.580 349 HH TYR 66 HH TYR 66 74.541 -0.952 -1.042 350 H THR 67 H THR 67 69.022 -4.420 3.364 351 HA THR 67 HA THR 67 67.606 -2.400 1.725 352 HB THR 67 HB THR 67 66.625 -3.597 4.329 353 HG1 THR 67 HG1 THR 67 66.172 -5.099 2.917 354 HG21 THR 67 HG21 THR 67 65.481 -1.614 2.352 355 HG22 THR 67 HG22 THR 67 65.815 -1.357 4.064 356 HG23 THR 67 HG23 THR 67 64.502 -2.426 3.573 357 H THR 68 H THR 68 67.848 -0.315 2.354 358 HA THR 68 HA THR 68 69.329 0.197 4.876 359 HB THR 68 HB THR 68 70.849 0.401 2.962 360 HG1 THR 68 HG1 THR 68 71.543 1.945 4.143 361 HG21 THR 68 HG21 THR 68 70.455 2.130 1.255 362 HG22 THR 68 HG22 THR 68 68.894 2.501 1.986 363 HG23 THR 68 HG23 THR 68 69.166 0.927 1.238 364 H TYR 69 H TYR 69 68.782 2.011 6.026 365 HA TYR 69 HA TYR 69 66.300 3.370 5.184 366 HB2 TYR 69 HB2 TYR 69 67.641 3.263 7.889 367 HB3 TYR 69 HB3 TYR 69 66.113 4.046 7.534 368 HD1 TYR 69 HD1 TYR 69 67.846 0.840 8.011 369 HD2 TYR 69 HD2 TYR 69 64.087 2.729 7.144 370 HE1 TYR 69 HE1 TYR 69 66.667 -1.293 8.475 371 HE2 TYR 69 HE2 TYR 69 62.909 0.597 7.608 372 HH TYR 69 HH TYR 69 64.447 -2.057 9.043 373 H ILE 70 H ILE 70 66.211 5.604 4.969 374 HA ILE 70 HA ILE 70 68.806 6.955 4.872 375 HB ILE 70 HB ILE 70 66.132 8.058 4.010 376 HG12 ILE 70 HG12 ILE 70 68.229 6.739 2.258 377 HG13 ILE 70 HG13 ILE 70 66.766 5.915 2.801 378 HG21 ILE 70 HG21 ILE 70 67.433 9.674 2.837 379 HG22 ILE 70 HG22 ILE 70 68.920 8.754 3.074 380 HG23 ILE 70 HG23 ILE 70 68.157 9.565 4.442 381 HD11 ILE 70 HD11 ILE 70 67.034 8.246 0.924 382 HD12 ILE 70 HD12 ILE 70 65.545 8.032 1.843 383 HD13 ILE 70 HD13 ILE 70 66.085 6.772 0.735 384 HA PRO 71 HA PRO 71 67.495 8.525 8.997 385 HB2 PRO 71 HB2 PRO 71 69.739 10.223 9.261 386 HB3 PRO 71 HB3 PRO 71 69.550 8.596 9.934 387 HG2 PRO 71 HG2 PRO 71 71.010 9.484 7.541 388 HG3 PRO 71 HG3 PRO 71 71.304 8.099 8.606 389 HD2 PRO 71 HD2 PRO 71 70.246 7.837 6.110 390 HD3 PRO 71 HD3 PRO 71 69.870 6.714 7.426 391 H VAL 72 H VAL 72 68.841 10.626 6.450 392 HA VAL 72 HA VAL 72 66.569 12.445 6.861 393 HB VAL 72 HB VAL 72 69.433 13.369 6.481 394 HG11 VAL 72 HG11 VAL 72 67.767 14.840 5.423 395 HG12 VAL 72 HG12 VAL 72 68.451 15.614 6.852 396 HG13 VAL 72 HG13 VAL 72 66.845 14.891 6.926 397 HG21 VAL 72 HG21 VAL 72 67.604 13.575 8.896 398 HG22 VAL 72 HG22 VAL 72 69.234 14.238 8.773 399 HG23 VAL 72 HG23 VAL 72 68.990 12.491 8.762 400 H GLN 73 H GLN 73 65.681 13.178 4.972 401 HA GLN 73 HA GLN 73 66.158 11.732 2.618 402 HB2 GLN 73 HB2 GLN 73 64.792 14.406 3.008 403 HB3 GLN 73 HB3 GLN 73 64.722 13.455 1.524 404 HG2 GLN 73 HG2 GLN 73 63.695 11.592 2.726 405 HG3 GLN 73 HG3 GLN 73 63.833 12.466 4.247 406 HE21 GLN 73 HE21 GLN 73 61.297 11.583 3.251 407 HE22 GLN 73 HE22 GLN 73 60.378 12.951 2.849 408 H ASP 74 H ASP 74 67.563 11.947 1.001 409 HA ASP 74 HA ASP 74 69.243 14.388 0.903 410 HB2 ASP 74 HB2 ASP 74 70.181 12.005 1.597 411 HB3 ASP 74 HB3 ASP 74 70.225 11.768 -0.145 412 HA PRO 75 HA PRO 75 66.961 14.211 -3.146 413 HB2 PRO 75 HB2 PRO 75 67.936 17.032 -3.166 414 HB3 PRO 75 HB3 PRO 75 66.329 16.389 -3.561 415 HG2 PRO 75 HG2 PRO 75 66.713 17.661 -1.291 416 HG3 PRO 75 HG3 PRO 75 65.717 16.191 -1.334 417 HD2 PRO 75 HD2 PRO 75 68.562 16.496 -0.401 418 HD3 PRO 75 HD3 PRO 75 67.235 15.556 0.328 419 H LYS 76 H LYS 76 70.164 15.345 -2.279 420 HA LYS 76 HA LYS 76 71.246 15.644 -4.886 421 HB2 LYS 76 HB2 LYS 76 72.290 16.545 -2.810 422 HB3 LYS 76 HB3 LYS 76 72.700 14.895 -2.339 423 HG2 LYS 76 HG2 LYS 76 73.990 14.643 -4.453 424 HG3 LYS 76 HG3 LYS 76 73.641 16.329 -4.839 425 HD2 LYS 76 HD2 LYS 76 74.726 16.992 -2.681 426 HD3 LYS 76 HD3 LYS 76 75.189 15.306 -2.442 427 HE2 LYS 76 HE2 LYS 76 75.990 17.036 -4.801 428 HE3 LYS 76 HE3 LYS 76 77.038 16.579 -3.458 429 HZ1 LYS 76 HZ1 LYS 76 77.428 15.103 -5.277 430 HZ2 LYS 76 HZ2 LYS 76 75.771 14.758 -5.431 431 HZ3 LYS 76 HZ3 LYS 76 76.627 14.234 -4.060 432 H LEU 77 H LEU 77 70.694 12.823 -2.880 433 HA LEU 77 HA LEU 77 72.617 11.089 -3.946 434 HB2 LEU 77 HB2 LEU 77 71.213 10.623 -1.939 435 HB3 LEU 77 HB3 LEU 77 69.834 10.359 -3.005 436 HG LEU 77 HG LEU 77 71.227 8.601 -4.195 437 HD11 LEU 77 HD11 LEU 77 73.010 9.191 -1.823 438 HD12 LEU 77 HD12 LEU 77 73.447 9.189 -3.532 439 HD13 LEU 77 HD13 LEU 77 73.090 7.669 -2.711 440 HD21 LEU 77 HD21 LEU 77 69.472 8.064 -2.510 441 HD22 LEU 77 HD22 LEU 77 70.697 8.143 -1.243 442 HD23 LEU 77 HD23 LEU 77 70.796 6.898 -2.488 443 H LEU 78 H LEU 78 69.423 11.999 -5.157 444 HA LEU 78 HA LEU 78 69.097 9.938 -7.048 445 HB2 LEU 78 HB2 LEU 78 68.136 12.806 -7.217 446 HB3 LEU 78 HB3 LEU 78 67.503 11.446 -8.144 447 HG LEU 78 HG LEU 78 67.476 11.627 -5.116 448 HD11 LEU 78 HD11 LEU 78 65.946 13.268 -6.047 449 HD12 LEU 78 HD12 LEU 78 65.001 11.900 -5.460 450 HD13 LEU 78 HD13 LEU 78 65.307 12.084 -7.187 451 HD21 LEU 78 HD21 LEU 78 67.469 9.332 -5.714 452 HD22 LEU 78 HD22 LEU 78 66.460 9.619 -7.132 453 HD23 LEU 78 HD23 LEU 78 65.762 9.730 -5.516 454 H ASP 79 H ASP 79 70.497 13.188 -7.373 455 HA ASP 79 HA ASP 79 71.066 13.014 -10.130 456 HB2 ASP 79 HB2 ASP 79 72.432 14.645 -7.976 457 HB3 ASP 79 HB3 ASP 79 72.637 14.889 -9.709 458 H ASN 80 H ASN 80 72.990 12.152 -7.282 459 HA ASN 80 HA ASN 80 75.417 11.643 -8.592 460 HB2 ASN 80 HB2 ASN 80 74.940 11.727 -6.077 461 HB3 ASN 80 HB3 ASN 80 74.403 10.056 -6.236 462 HD21 ASN 80 HD21 ASN 80 76.266 9.398 -4.865 463 HD22 ASN 80 HD22 ASN 80 77.823 9.319 -5.536 464 H LEU 81 H LEU 81 72.744 9.395 -7.828 465 HA LEU 81 HA LEU 81 73.940 7.080 -8.872 466 HB2 LEU 81 HB2 LEU 81 70.999 7.789 -8.751 467 HB3 LEU 81 HB3 LEU 81 71.656 6.170 -8.987 468 HG LEU 81 HG LEU 81 72.217 7.906 -6.566 469 HD11 LEU 81 HD11 LEU 81 70.349 5.540 -6.915 470 HD12 LEU 81 HD12 LEU 81 69.854 7.212 -6.651 471 HD13 LEU 81 HD13 LEU 81 70.710 6.335 -5.383 472 HD21 LEU 81 HD21 LEU 81 72.941 5.603 -5.678 473 HD22 LEU 81 HD22 LEU 81 74.011 6.365 -6.856 474 HD23 LEU 81 HD23 LEU 81 72.921 5.074 -7.360 475 H LEU 82 H LEU 82 72.094 9.640 -10.480 476 HA LEU 82 HA LEU 82 71.840 8.225 -12.950 477 HB2 LEU 82 HB2 LEU 82 71.790 11.214 -12.428 478 HB3 LEU 82 HB3 LEU 82 71.266 10.427 -13.917 479 HG LEU 82 HG LEU 82 70.074 9.884 -11.183 480 HD11 LEU 82 HD11 LEU 82 68.889 11.435 -13.500 481 HD12 LEU 82 HD12 LEU 82 69.642 12.196 -12.099 482 HD13 LEU 82 HD13 LEU 82 68.188 11.219 -11.897 483 HD21 LEU 82 HD21 LEU 82 69.544 8.895 -13.977 484 HD22 LEU 82 HD22 LEU 82 68.237 8.946 -12.794 485 HD23 LEU 82 HD23 LEU 82 69.671 7.968 -12.482 486 H THR 83 H THR 83 74.217 10.613 -11.788 487 HA THR 83 HA THR 83 75.715 10.793 -14.148 488 HB THR 83 HB THR 83 76.781 10.937 -11.321 489 HG1 THR 83 HG1 THR 83 75.736 12.722 -11.230 490 HG21 THR 83 HG21 THR 83 78.459 10.861 -13.176 491 HG22 THR 83 HG22 THR 83 78.471 12.388 -12.293 492 HG23 THR 83 HG23 THR 83 77.695 12.290 -13.873 493 H LYS 84 H LYS 84 75.741 8.341 -11.621 494 HA LYS 84 HA LYS 84 78.122 7.062 -12.672 495 HB2 LYS 84 HB2 LYS 84 76.219 6.251 -10.471 496 HB3 LYS 84 HB3 LYS 84 77.683 5.364 -10.904 497 HG2 LYS 84 HG2 LYS 84 79.008 7.447 -10.521 498 HG3 LYS 84 HG3 LYS 84 77.536 8.241 -9.961 499 HD2 LYS 84 HD2 LYS 84 77.303 6.474 -8.208 500 HD3 LYS 84 HD3 LYS 84 78.853 5.808 -8.721 501 HE2 LYS 84 HE2 LYS 84 79.610 8.373 -8.363 502 HE3 LYS 84 HE3 LYS 84 78.271 8.312 -7.215 503 HZ1 LYS 84 HZ1 LYS 84 79.891 5.984 -7.042 504 HZ2 LYS 84 HZ2 LYS 84 79.475 7.100 -5.830 505 HZ3 LYS 84 HZ3 LYS 84 80.824 7.384 -6.823 506 H ASN 85 H ASN 85 75.032 7.073 -13.834 507 HA ASN 85 HA ASN 85 73.840 5.707 -15.213 508 HB2 ASN 85 HB2 ASN 85 76.430 4.164 -15.494 509 HB3 ASN 85 HB3 ASN 85 75.055 4.128 -16.591 510 HD21 ASN 85 HD21 ASN 85 74.429 6.872 -16.786 511 HD22 ASN 85 HD22 ASN 85 75.737 7.691 -17.492 512 H VAL 86 H VAL 86 73.674 5.222 -12.452 513 HA VAL 86 HA VAL 86 73.495 2.298 -12.228 514 HB VAL 86 HB VAL 86 72.950 4.444 -10.158 515 HG11 VAL 86 HG11 VAL 86 73.127 2.552 -8.570 516 HG12 VAL 86 HG12 VAL 86 73.313 1.440 -9.926 517 HG13 VAL 86 HG13 VAL 86 71.798 2.317 -9.705 518 HG21 VAL 86 HG21 VAL 86 75.331 4.314 -10.996 519 HG22 VAL 86 HG22 VAL 86 75.368 2.637 -10.451 520 HG23 VAL 86 HG23 VAL 86 75.149 3.940 -9.282 521 H LYS 87 H LYS 87 71.493 1.232 -11.909 522 HA LYS 87 HA LYS 87 69.280 2.461 -13.262 523 HB2 LYS 87 HB2 LYS 87 69.759 -0.001 -13.297 524 HB3 LYS 87 HB3 LYS 87 69.282 -0.072 -11.600 525 HG2 LYS 87 HG2 LYS 87 67.060 0.865 -12.212 526 HG3 LYS 87 HG3 LYS 87 67.537 0.836 -13.909 527 HD2 LYS 87 HD2 LYS 87 67.932 -1.632 -13.696 528 HD3 LYS 87 HD3 LYS 87 67.274 -1.553 -12.061 529 HE2 LYS 87 HE2 LYS 87 65.154 -0.653 -12.963 530 HE3 LYS 87 HE3 LYS 87 65.809 -0.764 -14.597 531 HZ1 LYS 87 HZ1 LYS 87 64.497 -2.694 -14.165 532 HZ2 LYS 87 HZ2 LYS 87 65.323 -3.005 -12.713 533 HZ3 LYS 87 HZ3 LYS 87 66.125 -3.170 -14.201 534 H VAL 88 H VAL 88 67.568 3.540 -12.424 535 HA VAL 88 HA VAL 88 67.296 3.629 -9.477 536 HB VAL 88 HB VAL 88 67.126 6.033 -11.313 537 HG11 VAL 88 HG11 VAL 88 67.199 7.195 -9.017 538 HG12 VAL 88 HG12 VAL 88 66.806 5.615 -8.338 539 HG13 VAL 88 HG13 VAL 88 65.689 6.397 -9.457 540 HG21 VAL 88 HG21 VAL 88 69.171 6.680 -9.797 541 HG22 VAL 88 HG22 VAL 88 69.429 5.621 -11.183 542 HG23 VAL 88 HG23 VAL 88 69.315 4.938 -9.561 543 H VAL 89 H VAL 89 65.308 3.347 -8.769 544 HA VAL 89 HA VAL 89 63.038 3.754 -10.645 545 HB VAL 89 HB VAL 89 63.169 1.726 -8.398 546 HG11 VAL 89 HG11 VAL 89 60.914 2.471 -8.923 547 HG12 VAL 89 HG12 VAL 89 61.139 0.840 -9.556 548 HG13 VAL 89 HG13 VAL 89 61.198 2.225 -10.646 549 HG21 VAL 89 HG21 VAL 89 63.826 1.515 -11.324 550 HG22 VAL 89 HG22 VAL 89 63.099 0.136 -10.499 551 HG23 VAL 89 HG23 VAL 89 64.641 0.785 -9.941 552 H GLY 90 H GLY 90 61.514 5.173 -9.927 553 HA2 GLY 90 HA2 GLY 90 61.580 5.913 -7.047 554 HA3 GLY 90 HA3 GLY 90 61.212 7.045 -8.344 555 H GLU 91 H GLU 91 59.795 5.514 -5.916 556 HA GLU 91 HA GLU 91 57.178 5.779 -7.147 557 HB2 GLU 91 HB2 GLU 91 58.294 3.148 -6.241 558 HB3 GLU 91 HB3 GLU 91 56.569 3.472 -6.065 559 HG2 GLU 91 HG2 GLU 91 56.787 4.265 -8.584 560 HG3 GLU 91 HG3 GLU 91 58.201 3.213 -8.564 561 HA PRO 92 HA PRO 92 57.522 7.367 -2.822 562 HB2 PRO 92 HB2 PRO 92 55.231 8.978 -3.064 563 HB3 PRO 92 HB3 PRO 92 56.908 9.505 -3.285 564 HG2 PRO 92 HG2 PRO 92 54.870 8.799 -5.304 565 HG3 PRO 92 HG3 PRO 92 56.182 9.987 -5.379 566 HD2 PRO 92 HD2 PRO 92 56.310 7.618 -6.682 567 HD3 PRO 92 HD3 PRO 92 57.759 8.418 -6.034 568 HA PRO 93 HA PRO 93 54.807 4.359 -1.068 569 HB2 PRO 93 HB2 PRO 93 54.107 6.379 1.026 570 HB3 PRO 93 HB3 PRO 93 54.665 4.704 1.216 571 HG2 PRO 93 HG2 PRO 93 56.322 6.696 1.660 572 HG3 PRO 93 HG3 PRO 93 56.874 5.250 0.790 573 HD2 PRO 93 HD2 PRO 93 56.182 7.954 -0.314 574 HD3 PRO 93 HD3 PRO 93 57.475 6.831 -0.799 575 H GLU 94 H GLU 94 52.679 3.752 -1.212 576 HA GLU 94 HA GLU 94 50.724 5.848 -1.957 577 HB2 GLU 94 HB2 GLU 94 50.768 2.897 -2.639 578 HB3 GLU 94 HB3 GLU 94 49.509 4.037 -3.118 579 HG2 GLU 94 HG2 GLU 94 52.440 4.263 -3.854 580 HG3 GLU 94 HG3 GLU 94 51.170 3.686 -4.925 581 H GLU 95 H GLU 95 48.589 5.674 -1.140 582 HA GLU 95 HA GLU 95 48.311 3.996 1.286 583 HB2 GLU 95 HB2 GLU 95 47.670 6.914 0.892 584 HB3 GLU 95 HB3 GLU 95 46.937 5.958 2.180 585 HG2 GLU 95 HG2 GLU 95 49.414 5.249 2.688 586 HG3 GLU 95 HG3 GLU 95 49.817 6.716 1.796 587 HA PRO 96 HA PRO 96 44.816 3.143 -1.673 588 HB2 PRO 96 HB2 PRO 96 44.330 0.613 -0.656 589 HB3 PRO 96 HB3 PRO 96 45.416 0.970 -2.013 590 HG2 PRO 96 HG2 PRO 96 46.072 0.539 0.863 591 HG3 PRO 96 HG3 PRO 96 46.902 -0.062 -0.588 592 HD2 PRO 96 HD2 PRO 96 47.902 2.024 0.743 593 HD3 PRO 96 HD3 PRO 96 47.924 2.001 -1.034 594 H LEU 97 H LEU 97 45.104 3.016 1.805 595 HA LEU 97 HA LEU 97 42.430 2.551 2.522 596 HB2 LEU 97 HB2 LEU 97 44.467 4.297 3.922 597 HB3 LEU 97 HB3 LEU 97 43.001 3.635 4.643 598 HG LEU 97 HG LEU 97 45.246 1.966 3.471 599 HD11 LEU 97 HD11 LEU 97 44.566 2.799 6.296 600 HD12 LEU 97 HD12 LEU 97 46.110 2.950 5.458 601 HD13 LEU 97 HD13 LEU 97 45.529 1.361 5.955 602 HD21 LEU 97 HD21 LEU 97 43.228 0.712 3.345 603 HD22 LEU 97 HD22 LEU 97 42.654 1.332 4.893 604 HD23 LEU 97 HD23 LEU 97 43.990 0.182 4.846 605 H GLU 98 H GLU 98 44.038 5.480 1.406 606 HA GLU 98 HA GLU 98 42.208 7.404 2.256 607 HB2 GLU 98 HB2 GLU 98 43.865 7.329 -0.274 608 HB3 GLU 98 HB3 GLU 98 43.052 8.762 0.358 609 HG2 GLU 98 HG2 GLU 98 44.336 8.521 2.475 610 HG3 GLU 98 HG3 GLU 98 45.192 7.154 1.778 611 H HIS 99 H HIS 99 42.039 5.200 -0.503 612 HA HIS 99 HA HIS 99 39.506 6.456 -1.346 613 HB2 HIS 99 HB2 HIS 99 41.293 4.440 -2.709 614 HB3 HIS 99 HB3 HIS 99 39.760 4.998 -3.352 615 HD1 HIS 99 HD1 HIS 99 43.319 6.013 -2.845 616 HD2 HIS 99 HD2 HIS 99 39.815 7.677 -4.375 617 HE1 HIS 99 HE1 HIS 99 44.005 8.111 -4.085 618 H HIS 100 H HIS 100 37.642 5.551 -0.795 619 HA HIS 100 HA HIS 100 37.395 3.255 0.789 620 HB2 HIS 100 HB2 HIS 100 35.697 5.030 0.620 621 HB3 HIS 100 HB3 HIS 100 35.328 4.513 -1.014 622 HD1 HIS 100 HD1 HIS 100 35.427 2.931 2.465 623 HD2 HIS 100 HD2 HIS 100 33.206 2.762 -1.059 624 HE1 HIS 100 HE1 HIS 100 33.528 1.315 2.893 625 H HIS 101 H HIS 101 37.492 3.583 -2.709 626 HA HIS 101 HA HIS 101 36.792 0.720 -2.995 627 HB2 HIS 101 HB2 HIS 101 36.735 2.971 -5.006 628 HB3 HIS 101 HB3 HIS 101 36.385 1.293 -5.373 629 HD1 HIS 101 HD1 HIS 101 34.971 4.328 -3.697 630 HD2 HIS 101 HD2 HIS 101 33.834 0.391 -4.460 631 HE1 HIS 101 HE1 HIS 101 32.501 4.184 -3.170 632 H HIS 102 H HIS 102 38.318 -0.669 -3.573 633 HA HIS 102 HA HIS 102 41.025 -0.019 -3.899 634 HB2 HIS 102 HB2 HIS 102 39.498 -2.448 -4.836 635 HB3 HIS 102 HB3 HIS 102 41.247 -2.322 -4.806 636 HD1 HIS 102 HD1 HIS 102 38.262 -2.791 -2.608 637 HD2 HIS 102 HD2 HIS 102 42.397 -2.468 -2.186 638 HE1 HIS 102 HE1 HIS 102 38.797 -3.511 -0.241 639 H HIS 103 H HIS 103 38.437 -0.333 -6.277 640 HA HIS 103 HA HIS 103 39.941 -0.529 -8.616 641 HB2 HIS 103 HB2 HIS 103 37.494 -0.786 -8.492 642 HB3 HIS 103 HB3 HIS 103 37.335 0.937 -8.203 643 HD1 HIS 103 HD1 HIS 103 38.868 -1.333 -10.869 644 HD2 HIS 103 HD2 HIS 103 36.883 2.319 -10.540 645 HE1 HIS 103 HE1 HIS 103 38.543 -0.480 -13.230 646 H HIS 104 H HIS 104 39.225 2.304 -6.639 647 HA HIS 104 HA HIS 104 40.534 4.044 -8.616 648 HB2 HIS 104 HB2 HIS 104 39.017 4.683 -6.085 649 HB3 HIS 104 HB3 HIS 104 39.760 5.880 -7.129 650 HD1 HIS 104 HD1 HIS 104 36.843 3.549 -6.883 651 HD2 HIS 104 HD2 HIS 104 38.358 6.349 -9.575 652 HE1 HIS 104 HE1 HIS 104 35.015 3.969 -8.583 Start of MODEL 14 1 H1 MET 23 HT1 MET 23 70.892 -17.032 9.684 2 H2 MET 23 HT2 MET 23 69.747 -15.810 9.396 3 H3 MET 23 HT3 MET 23 69.722 -17.237 8.474 4 HA MET 23 HA MET 23 68.025 -17.631 9.953 5 HB2 MET 23 HB2 MET 23 70.526 -18.619 11.360 6 HB3 MET 23 HB3 MET 23 68.900 -19.258 11.584 7 HG2 MET 23 HG2 MET 23 70.492 -19.302 9.003 8 HG3 MET 23 HG3 MET 23 70.172 -20.685 10.044 9 HE1 MET 23 HE1 MET 23 67.960 -21.583 10.623 10 HE2 MET 23 HE2 MET 23 66.427 -21.276 9.810 11 HE3 MET 23 HE3 MET 23 67.080 -20.080 10.927 12 H ALA 24 H ALA 24 70.760 -16.052 11.573 13 HA ALA 24 HA ALA 24 69.539 -15.534 14.041 14 HB1 ALA 24 HB1 ALA 24 71.521 -13.748 12.619 15 HB2 ALA 24 HB2 ALA 24 71.965 -15.208 13.502 16 HB3 ALA 24 HB3 ALA 24 71.234 -13.848 14.356 17 H SER 25 H SER 25 69.358 -13.778 10.972 18 HA SER 25 HA SER 25 67.393 -11.930 12.206 19 HB2 SER 25 HB2 SER 25 67.941 -10.365 10.425 20 HB3 SER 25 HB3 SER 25 69.416 -10.849 11.255 21 HG SER 25 HG SER 25 68.926 -11.057 8.744 22 H GLU 26 H GLU 26 65.366 -11.844 11.406 23 HA GLU 26 HA GLU 26 64.412 -13.922 9.717 24 HB2 GLU 26 HB2 GLU 26 63.054 -12.768 11.471 25 HB3 GLU 26 HB3 GLU 26 63.011 -11.339 10.437 26 HG2 GLU 26 HG2 GLU 26 61.997 -12.719 8.628 27 HG3 GLU 26 HG3 GLU 26 61.964 -14.092 9.724 28 H SER 27 H SER 27 65.299 -10.545 9.139 29 HA SER 27 HA SER 27 64.015 -10.199 6.671 30 HB2 SER 27 HB2 SER 27 66.597 -8.964 7.656 31 HB3 SER 27 HB3 SER 27 65.647 -8.387 6.292 32 HG SER 27 HG SER 27 64.841 -8.561 8.959 33 H ASN 28 H ASN 28 64.349 -11.033 4.722 34 HA ASN 28 HA ASN 28 66.482 -12.756 4.051 35 HB2 ASN 28 HB2 ASN 28 65.707 -12.395 1.689 36 HB3 ASN 28 HB3 ASN 28 64.459 -12.930 2.808 37 HD21 ASN 28 HD21 ASN 28 62.587 -11.920 2.022 38 HD22 ASN 28 HD22 ASN 28 62.449 -10.252 1.738 39 H GLY 29 H GLY 29 66.228 -9.276 3.964 40 HA2 GLY 29 HA2 GLY 29 68.692 -9.086 2.354 41 HA3 GLY 29 HA3 GLY 29 67.544 -7.778 2.625 42 H ARG 30 H ARG 30 70.552 -8.335 3.214 43 HA ARG 30 HA ARG 30 70.938 -8.280 6.017 44 HB2 ARG 30 HB2 ARG 30 72.637 -7.101 3.803 45 HB3 ARG 30 HB3 ARG 30 73.158 -7.302 5.476 46 HG2 ARG 30 HG2 ARG 30 72.722 -9.750 5.281 47 HG3 ARG 30 HG3 ARG 30 72.324 -9.516 3.580 48 HD2 ARG 30 HD2 ARG 30 74.607 -8.494 3.268 49 HD3 ARG 30 HD3 ARG 30 74.985 -8.975 4.918 50 HE ARG 30 HE ARG 30 74.956 -10.670 2.622 51 HH11 ARG 30 HH11 ARG 30 74.258 -10.692 6.063 52 HH12 ARG 30 HH12 ARG 30 74.531 -12.396 6.208 53 HH21 ARG 30 HH21 ARG 30 75.293 -12.861 2.871 54 HH22 ARG 30 HH22 ARG 30 75.109 -13.608 4.422 55 H LYS 31 H LYS 31 71.180 -6.548 7.474 56 HA LYS 31 HA LYS 31 69.762 -4.114 6.755 57 HB2 LYS 31 HB2 LYS 31 71.215 -4.800 9.325 58 HB3 LYS 31 HB3 LYS 31 70.081 -3.472 9.087 59 HG2 LYS 31 HG2 LYS 31 69.390 -6.408 8.775 60 HG3 LYS 31 HG3 LYS 31 69.020 -5.432 10.197 61 HD2 LYS 31 HD2 LYS 31 67.728 -3.872 8.706 62 HD3 LYS 31 HD3 LYS 31 67.975 -5.013 7.383 63 HE2 LYS 31 HE2 LYS 31 66.760 -6.738 8.528 64 HE3 LYS 31 HE3 LYS 31 66.709 -5.795 10.017 65 HZ1 LYS 31 HZ1 LYS 31 64.619 -5.575 8.941 66 HZ2 LYS 31 HZ2 LYS 31 65.345 -5.184 7.456 67 HZ3 LYS 31 HZ3 LYS 31 65.432 -4.096 8.759 68 H VAL 32 H VAL 32 70.657 -2.189 6.218 69 HA VAL 32 HA VAL 32 73.576 -1.865 6.572 70 HB VAL 32 HB VAL 32 72.040 -1.252 4.035 71 HG11 VAL 32 HG11 VAL 32 74.312 -0.814 3.116 72 HG12 VAL 32 HG12 VAL 32 74.986 -1.030 4.731 73 HG13 VAL 32 HG13 VAL 32 73.891 0.314 4.405 74 HG21 VAL 32 HG21 VAL 32 73.643 -3.049 3.143 75 HG22 VAL 32 HG22 VAL 32 72.316 -3.619 4.155 76 HG23 VAL 32 HG23 VAL 32 73.939 -3.471 4.829 77 H ASP 33 H ASP 33 74.176 0.013 7.358 78 HA ASP 33 HA ASP 33 72.320 2.112 7.967 79 HB2 ASP 33 HB2 ASP 33 75.343 1.978 8.120 80 HB3 ASP 33 HB3 ASP 33 74.369 3.291 8.775 81 H TYR 34 H TYR 34 72.238 4.222 7.077 82 HA TYR 34 HA TYR 34 72.428 4.468 4.313 83 HB2 TYR 34 HB2 TYR 34 71.085 5.965 5.657 84 HB3 TYR 34 HB3 TYR 34 72.510 6.588 6.460 85 HD1 TYR 34 HD1 TYR 34 72.048 5.944 2.809 86 HD2 TYR 34 HD2 TYR 34 72.421 8.884 5.917 87 HE1 TYR 34 HE1 TYR 34 72.233 7.731 1.102 88 HE2 TYR 34 HE2 TYR 34 72.590 10.672 4.205 89 HH TYR 34 HH TYR 34 72.551 11.102 1.987 90 H SER 35 H SER 35 74.841 5.242 6.793 91 HA SER 35 HA SER 35 76.665 6.628 5.170 92 HB2 SER 35 HB2 SER 35 76.781 6.440 7.667 93 HB3 SER 35 HB3 SER 35 77.333 4.780 7.471 94 HG SER 35 HG SER 35 78.593 7.144 6.779 95 H THR 36 H THR 36 76.300 3.159 5.821 96 HA THR 36 HA THR 36 78.656 2.354 4.436 97 HB THR 36 HB THR 36 76.152 0.735 4.956 98 HG1 THR 36 HG1 THR 36 76.898 1.386 6.874 99 HG21 THR 36 HG21 THR 36 77.783 -0.212 3.318 100 HG22 THR 36 HG22 THR 36 77.642 -1.182 4.784 101 HG23 THR 36 HG23 THR 36 79.031 -0.120 4.561 102 H PHE 37 H PHE 37 75.259 2.681 3.460 103 HA PHE 37 HA PHE 37 75.477 1.608 0.892 104 HB2 PHE 37 HB2 PHE 37 73.328 2.143 1.860 105 HB3 PHE 37 HB3 PHE 37 73.730 3.847 1.918 106 HD1 PHE 37 HD2 PHE 37 72.713 1.038 -0.248 107 HD2 PHE 37 HD1 PHE 37 73.676 5.221 -0.090 108 HE1 PHE 37 HE2 PHE 37 71.753 1.351 -2.515 109 HE2 PHE 37 HE1 PHE 37 72.718 5.530 -2.355 110 HZ PHE 37 HZ PHE 37 71.753 3.594 -3.567 111 H LEU 38 H LEU 38 76.101 4.943 2.006 112 HA LEU 38 HA LEU 38 76.488 6.069 -0.535 113 HB2 LEU 38 HB2 LEU 38 77.731 6.847 2.114 114 HB3 LEU 38 HB3 LEU 38 77.742 7.845 0.660 115 HG LEU 38 HG LEU 38 75.211 6.812 1.968 116 HD11 LEU 38 HD11 LEU 38 76.012 8.328 3.564 117 HD12 LEU 38 HD12 LEU 38 75.036 9.363 2.523 118 HD13 LEU 38 HD13 LEU 38 76.791 9.344 2.351 119 HD21 LEU 38 HD21 LEU 38 74.753 7.319 -0.298 120 HD22 LEU 38 HD22 LEU 38 75.845 8.704 -0.298 121 HD23 LEU 38 HD23 LEU 38 74.307 8.793 0.562 122 H GLN 39 H GLN 39 78.774 4.468 1.654 123 HA GLN 39 HA GLN 39 81.104 4.977 0.140 124 HB2 GLN 39 HB2 GLN 39 81.090 4.080 2.472 125 HB3 GLN 39 HB3 GLN 39 80.539 2.531 1.833 126 HG2 GLN 39 HG2 GLN 39 82.549 2.368 0.434 127 HG3 GLN 39 HG3 GLN 39 83.099 3.935 1.019 128 HE21 GLN 39 HE21 GLN 39 84.842 1.858 1.435 129 HE22 GLN 39 HE22 GLN 39 84.845 1.383 3.064 130 H GLU 40 H GLU 40 78.805 2.270 0.035 131 HA GLU 40 HA GLU 40 80.173 0.739 -1.886 132 HB2 GLU 40 HB2 GLU 40 77.212 0.904 -1.297 133 HB3 GLU 40 HB3 GLU 40 77.973 -0.344 -2.285 134 HG2 GLU 40 HG2 GLU 40 79.425 -0.944 -0.355 135 HG3 GLU 40 HG3 GLU 40 78.573 0.240 0.627 136 H VAL 41 H VAL 41 77.734 3.283 -2.258 137 HA VAL 41 HA VAL 41 77.400 3.166 -5.026 138 HB VAL 41 HB VAL 41 77.360 5.590 -3.207 139 HG11 VAL 41 HG11 VAL 41 76.404 5.136 -6.037 140 HG12 VAL 41 HG12 VAL 41 77.447 6.424 -5.429 141 HG13 VAL 41 HG13 VAL 41 75.731 6.410 -5.017 142 HG21 VAL 41 HG21 VAL 41 75.801 3.508 -2.814 143 HG22 VAL 41 HG22 VAL 41 74.954 4.106 -4.237 144 HG23 VAL 41 HG23 VAL 41 75.104 5.126 -2.808 145 H ASN 42 H ASN 42 79.758 5.043 -3.109 146 HA ASN 42 HA ASN 42 81.114 6.251 -5.243 147 HB2 ASN 42 HB2 ASN 42 82.152 5.363 -2.542 148 HB3 ASN 42 HB3 ASN 42 83.016 6.430 -3.648 149 HD21 ASN 42 HD21 ASN 42 81.230 6.630 -0.914 150 HD22 ASN 42 HD22 ASN 42 80.454 8.118 -1.167 151 H ASN 43 H ASN 43 81.388 3.014 -3.907 152 HA ASN 43 HA ASN 43 83.752 2.387 -5.480 153 HB2 ASN 43 HB2 ASN 43 82.014 0.687 -3.688 154 HB3 ASN 43 HB3 ASN 43 83.468 0.112 -4.497 155 HD21 ASN 43 HD21 ASN 43 83.185 0.224 -1.610 156 HD22 ASN 43 HD22 ASN 43 84.315 1.350 -1.029 157 H ASP 44 H ASP 44 80.739 2.805 -6.556 158 HA ASP 44 HA ASP 44 79.469 1.972 -8.268 159 HB2 ASP 44 HB2 ASP 44 81.609 2.623 -9.399 160 HB3 ASP 44 HB3 ASP 44 82.130 0.945 -9.266 161 H GLN 45 H GLN 45 79.729 0.200 -5.967 162 HA GLN 45 HA GLN 45 79.749 -2.466 -7.160 163 HB2 GLN 45 HB2 GLN 45 79.296 -1.576 -4.303 164 HB3 GLN 45 HB3 GLN 45 79.365 -3.252 -4.844 165 HG2 GLN 45 HG2 GLN 45 81.591 -1.221 -5.170 166 HG3 GLN 45 HG3 GLN 45 81.545 -2.489 -3.948 167 HE21 GLN 45 HE21 GLN 45 82.940 -1.816 -6.862 168 HE22 GLN 45 HE22 GLN 45 83.108 -3.391 -7.473 169 H VAL 46 H VAL 46 77.409 -0.034 -6.317 170 HA VAL 46 HA VAL 46 75.208 -1.903 -6.053 171 HB VAL 46 HB VAL 46 75.169 1.118 -6.322 172 HG11 VAL 46 HG11 VAL 46 72.932 0.792 -5.158 173 HG12 VAL 46 HG12 VAL 46 73.094 -0.930 -5.502 174 HG13 VAL 46 HG13 VAL 46 72.995 0.228 -6.828 175 HG21 VAL 46 HG21 VAL 46 75.439 -0.749 -3.972 176 HG22 VAL 46 HG22 VAL 46 74.675 0.828 -3.773 177 HG23 VAL 46 HG23 VAL 46 76.346 0.722 -4.324 178 H ARG 47 H ARG 47 73.719 -2.441 -7.583 179 HA ARG 47 HA ARG 47 74.257 -1.516 -10.335 180 HB2 ARG 47 HB2 ARG 47 74.371 -3.958 -9.891 181 HB3 ARG 47 HB3 ARG 47 72.686 -3.921 -9.379 182 HG2 ARG 47 HG2 ARG 47 72.066 -3.021 -11.627 183 HG3 ARG 47 HG3 ARG 47 73.746 -3.213 -12.129 184 HD2 ARG 47 HD2 ARG 47 71.957 -5.448 -11.133 185 HD3 ARG 47 HD3 ARG 47 72.360 -5.147 -12.822 186 HE ARG 47 HE ARG 47 74.720 -5.405 -11.240 187 HH11 ARG 47 HH11 ARG 47 72.187 -7.337 -12.717 188 HH12 ARG 47 HH12 ARG 47 73.193 -8.742 -12.837 189 HH21 ARG 47 HH21 ARG 47 75.964 -7.246 -11.420 190 HH22 ARG 47 HH22 ARG 47 75.304 -8.690 -12.111 191 H GLU 48 H GLU 48 71.607 -2.201 -8.069 192 HA GLU 48 HA GLU 48 69.893 -0.304 -9.560 193 HB2 GLU 48 HB2 GLU 48 69.320 -2.667 -10.127 194 HB3 GLU 48 HB3 GLU 48 68.995 -2.958 -8.417 195 HG2 GLU 48 HG2 GLU 48 67.298 -1.145 -8.457 196 HG3 GLU 48 HG3 GLU 48 67.583 -0.936 -10.181 197 H ALA 49 H ALA 49 68.697 1.056 -8.323 198 HA ALA 49 HA ALA 49 68.441 0.473 -5.436 199 HB1 ALA 49 HB1 ALA 49 69.021 3.213 -6.580 200 HB2 ALA 49 HB2 ALA 49 70.247 2.165 -5.867 201 HB3 ALA 49 HB3 ALA 49 68.917 2.768 -4.877 202 H ARG 50 H ARG 50 66.363 0.231 -5.033 203 HA ARG 50 HA ARG 50 64.352 1.777 -6.513 204 HB2 ARG 50 HB2 ARG 50 64.112 -0.484 -4.508 205 HB3 ARG 50 HB3 ARG 50 62.742 0.310 -5.280 206 HG2 ARG 50 HG2 ARG 50 63.676 -0.333 -7.506 207 HG3 ARG 50 HG3 ARG 50 64.961 -1.213 -6.678 208 HD2 ARG 50 HD2 ARG 50 63.172 -2.539 -5.492 209 HD3 ARG 50 HD3 ARG 50 61.987 -1.766 -6.541 210 HE ARG 50 HE ARG 50 62.784 -3.037 -8.335 211 HH11 ARG 50 HH11 ARG 50 64.847 -3.532 -5.536 212 HH12 ARG 50 HH12 ARG 50 65.658 -4.885 -6.250 213 HH21 ARG 50 HH21 ARG 50 63.863 -4.786 -9.199 214 HH22 ARG 50 HH22 ARG 50 65.107 -5.586 -8.297 215 H ILE 51 H ILE 51 63.245 3.442 -5.592 216 HA ILE 51 HA ILE 51 63.848 4.096 -2.772 217 HB ILE 51 HB ILE 51 62.980 5.897 -5.050 218 HG12 ILE 51 HG12 ILE 51 65.661 5.724 -3.648 219 HG13 ILE 51 HG13 ILE 51 65.315 4.935 -5.188 220 HG21 ILE 51 HG21 ILE 51 62.217 6.755 -2.898 221 HG22 ILE 51 HG22 ILE 51 63.578 7.724 -3.463 222 HG23 ILE 51 HG23 ILE 51 63.821 6.515 -2.202 223 HD11 ILE 51 HD11 ILE 51 64.708 7.145 -6.154 224 HD12 ILE 51 HD12 ILE 51 66.380 7.099 -5.595 225 HD13 ILE 51 HD13 ILE 51 65.149 7.910 -4.627 226 H ASN 52 H ASN 52 62.257 4.013 -1.346 227 HA ASN 52 HA ASN 52 59.489 4.544 -2.182 228 HB2 ASN 52 HB2 ASN 52 59.815 2.071 -2.006 229 HB3 ASN 52 HB3 ASN 52 60.299 2.291 -0.325 230 HD21 ASN 52 HD21 ASN 52 58.615 2.084 1.146 231 HD22 ASN 52 HD22 ASN 52 56.975 2.338 0.793 232 H GLY 53 H GLY 53 59.863 6.632 -1.255 233 HA2 GLY 53 HA2 GLY 53 59.780 8.187 0.438 234 HA3 GLY 53 HA3 GLY 53 59.161 6.895 1.462 235 H ARG 54 H ARG 54 60.346 6.618 3.227 236 HA ARG 54 HA ARG 54 63.045 7.620 3.434 237 HB2 ARG 54 HB2 ARG 54 61.379 7.679 5.316 238 HB3 ARG 54 HB3 ARG 54 61.528 5.926 5.422 239 HG2 ARG 54 HG2 ARG 54 63.957 6.160 5.829 240 HG3 ARG 54 HG3 ARG 54 63.787 7.916 5.769 241 HD2 ARG 54 HD2 ARG 54 62.156 7.780 7.651 242 HD3 ARG 54 HD3 ARG 54 62.453 6.047 7.746 243 HE ARG 54 HE ARG 54 64.947 7.146 7.940 244 HH11 ARG 54 HH11 ARG 54 61.966 7.656 9.724 245 HH12 ARG 54 HH12 ARG 54 62.796 8.072 11.186 246 HH21 ARG 54 HH21 ARG 54 65.958 7.684 9.855 247 HH22 ARG 54 HH22 ARG 54 65.027 8.087 11.257 248 H GLU 55 H GLU 55 61.655 4.546 2.590 249 HA GLU 55 HA GLU 55 64.073 3.105 3.437 250 HB2 GLU 55 HB2 GLU 55 61.462 2.063 2.307 251 HB3 GLU 55 HB3 GLU 55 62.780 1.081 2.947 252 HG2 GLU 55 HG2 GLU 55 61.208 3.139 4.523 253 HG3 GLU 55 HG3 GLU 55 60.972 1.398 4.612 254 H ILE 56 H ILE 56 65.532 2.303 2.003 255 HA ILE 56 HA ILE 56 64.840 2.362 -0.884 256 HB ILE 56 HB ILE 56 67.596 2.665 0.344 257 HG12 ILE 56 HG12 ILE 56 65.882 4.751 -1.038 258 HG13 ILE 56 HG13 ILE 56 66.078 4.633 0.712 259 HG21 ILE 56 HG21 ILE 56 67.411 1.595 -1.942 260 HG22 ILE 56 HG22 ILE 56 68.331 3.098 -1.911 261 HG23 ILE 56 HG23 ILE 56 66.672 3.093 -2.510 262 HD11 ILE 56 HD11 ILE 56 67.641 6.291 -0.264 263 HD12 ILE 56 HD12 ILE 56 68.340 5.028 -1.272 264 HD13 ILE 56 HD13 ILE 56 68.504 4.947 0.482 265 H ASN 57 H ASN 57 64.938 0.421 -1.886 266 HA ASN 57 HA ASN 57 66.223 -1.829 -0.447 267 HB2 ASN 57 HB2 ASN 57 64.222 -1.877 -2.730 268 HB3 ASN 57 HB3 ASN 57 64.877 -3.289 -1.902 269 HD21 ASN 57 HD21 ASN 57 64.757 -2.460 0.789 270 HD22 ASN 57 HD22 ASN 57 63.136 -2.202 1.223 271 H VAL 58 H VAL 58 68.017 -2.785 -1.357 272 HA VAL 58 HA VAL 58 68.945 -1.606 -3.918 273 HB VAL 58 HB VAL 58 70.638 -2.108 -1.465 274 HG11 VAL 58 HG11 VAL 58 71.150 -1.073 -4.242 275 HG12 VAL 58 HG12 VAL 58 72.087 -2.231 -3.298 276 HG13 VAL 58 HG13 VAL 58 72.156 -0.513 -2.906 277 HG21 VAL 58 HG21 VAL 58 69.819 0.576 -2.605 278 HG22 VAL 58 HG22 VAL 58 70.657 0.256 -1.086 279 HG23 VAL 58 HG23 VAL 58 68.963 -0.184 -1.264 280 H THR 59 H THR 59 69.893 -2.930 -5.326 281 HA THR 59 HA THR 59 70.600 -5.673 -4.448 282 HB THR 59 HB THR 59 69.704 -4.755 -7.195 283 HG1 THR 59 HG1 THR 59 67.828 -5.697 -6.638 284 HG21 THR 59 HG21 THR 59 69.436 -7.393 -7.293 285 HG22 THR 59 HG22 THR 59 70.700 -7.341 -6.064 286 HG23 THR 59 HG23 THR 59 70.982 -6.627 -7.652 287 H LYS 60 H LYS 60 72.707 -6.118 -4.560 288 HA LYS 60 HA LYS 60 74.543 -4.298 -5.866 289 HB2 LYS 60 HB2 LYS 60 74.984 -6.867 -4.334 290 HB3 LYS 60 HB3 LYS 60 76.276 -5.845 -4.962 291 HG2 LYS 60 HG2 LYS 60 75.361 -3.938 -3.640 292 HG3 LYS 60 HG3 LYS 60 74.168 -5.036 -2.940 293 HD2 LYS 60 HD2 LYS 60 76.030 -6.477 -2.113 294 HD3 LYS 60 HD3 LYS 60 77.181 -5.282 -2.712 295 HE2 LYS 60 HE2 LYS 60 75.807 -3.590 -1.282 296 HE3 LYS 60 HE3 LYS 60 75.207 -5.028 -0.454 297 HZ1 LYS 60 HZ1 LYS 60 78.037 -4.187 -0.750 298 HZ2 LYS 60 HZ2 LYS 60 77.551 -5.684 -0.109 299 HZ3 LYS 60 HZ3 LYS 60 77.133 -4.241 0.684 300 H LYS 61 H LYS 61 76.157 -5.005 -7.410 301 HA LYS 61 HA LYS 61 75.178 -6.387 -9.611 302 HB2 LYS 61 HB2 LYS 61 77.424 -6.355 -10.481 303 HB3 LYS 61 HB3 LYS 61 77.127 -4.847 -9.623 304 HG2 LYS 61 HG2 LYS 61 78.275 -5.813 -7.620 305 HG3 LYS 61 HG3 LYS 61 78.665 -7.243 -8.577 306 HD2 LYS 61 HD2 LYS 61 79.757 -5.658 -10.255 307 HD3 LYS 61 HD3 LYS 61 79.606 -4.404 -9.023 308 HE2 LYS 61 HE2 LYS 61 80.819 -5.976 -7.436 309 HE3 LYS 61 HE3 LYS 61 81.163 -6.992 -8.836 310 HZ1 LYS 61 HZ1 LYS 61 82.959 -5.416 -8.344 311 HZ2 LYS 61 HZ2 LYS 61 81.889 -4.122 -8.606 312 HZ3 LYS 61 HZ3 LYS 61 82.293 -5.165 -9.884 313 H ASP 62 H ASP 62 76.610 -7.698 -6.710 314 HA ASP 62 HA ASP 62 77.153 -10.280 -7.940 315 HB2 ASP 62 HB2 ASP 62 78.632 -9.236 -6.196 316 HB3 ASP 62 HB3 ASP 62 77.347 -9.526 -5.024 317 H SER 63 H SER 63 74.284 -9.112 -7.404 318 HA SER 63 HA SER 63 72.243 -10.100 -7.170 319 HB2 SER 63 HB2 SER 63 73.585 -12.696 -6.448 320 HB3 SER 63 HB3 SER 63 71.983 -12.444 -7.132 321 HG SER 63 HG SER 63 74.460 -12.049 -8.342 322 H ASN 64 H ASN 64 74.444 -9.787 -4.632 323 HA ASN 64 HA ASN 64 72.856 -10.883 -2.516 324 HB2 ASN 64 HB2 ASN 64 74.984 -8.729 -2.441 325 HB3 ASN 64 HB3 ASN 64 74.337 -9.587 -1.043 326 HD21 ASN 64 HD21 ASN 64 74.249 -12.233 -2.006 327 HD22 ASN 64 HD22 ASN 64 75.825 -12.754 -2.359 328 H ARG 65 H ARG 65 71.232 -9.932 -1.339 329 HA ARG 65 HA ARG 65 70.362 -7.242 -2.240 330 HB2 ARG 65 HB2 ARG 65 68.753 -9.549 -1.128 331 HB3 ARG 65 HB3 ARG 65 68.100 -7.962 -1.533 332 HG2 ARG 65 HG2 ARG 65 68.910 -8.264 -3.872 333 HG3 ARG 65 HG3 ARG 65 69.437 -9.894 -3.449 334 HD2 ARG 65 HD2 ARG 65 67.071 -10.387 -2.735 335 HD3 ARG 65 HD3 ARG 65 66.606 -8.821 -3.391 336 HE ARG 65 HE ARG 65 66.914 -9.662 -5.552 337 HH11 ARG 65 HH11 ARG 65 68.011 -12.029 -3.202 338 HH12 ARG 65 HH12 ARG 65 68.124 -13.294 -4.380 339 HH21 ARG 65 HH21 ARG 65 67.078 -11.331 -7.023 340 HH22 ARG 65 HH22 ARG 65 67.602 -12.902 -6.515 341 H TYR 66 H TYR 66 69.818 -5.697 -0.771 342 HA TYR 66 HA TYR 66 69.646 -6.352 2.053 343 HB2 TYR 66 HB2 TYR 66 71.393 -4.918 2.791 344 HB3 TYR 66 HB3 TYR 66 72.068 -6.022 1.616 345 HD1 TYR 66 HD1 TYR 66 71.092 -2.532 2.300 346 HD2 TYR 66 HD2 TYR 66 72.927 -5.218 -0.507 347 HE1 TYR 66 HE1 TYR 66 72.037 -0.598 1.068 348 HE2 TYR 66 HE2 TYR 66 73.868 -3.284 -1.741 349 HH TYR 66 HH TYR 66 74.441 -0.791 -1.023 350 H THR 67 H THR 67 69.059 -4.439 3.366 351 HA THR 67 HA THR 67 67.542 -2.440 1.795 352 HB THR 67 HB THR 67 66.695 -3.679 4.425 353 HG1 THR 67 HG1 THR 67 66.075 -5.170 3.114 354 HG21 THR 67 HG21 THR 67 64.512 -2.554 3.753 355 HG22 THR 67 HG22 THR 67 65.436 -1.696 2.520 356 HG23 THR 67 HG23 THR 67 65.814 -1.464 4.227 357 H THR 68 H THR 68 67.776 -0.354 2.416 358 HA THR 68 HA THR 68 69.311 0.181 4.900 359 HB THR 68 HB THR 68 70.790 0.393 2.954 360 HG1 THR 68 HG1 THR 68 71.334 1.840 4.395 361 HG21 THR 68 HG21 THR 68 69.133 2.708 1.990 362 HG22 THR 68 HG22 THR 68 68.761 1.071 1.450 363 HG23 THR 68 HG23 THR 68 70.345 1.770 1.118 364 H TYR 69 H TYR 69 68.813 2.032 6.024 365 HA TYR 69 HA TYR 69 66.253 3.307 5.287 366 HB2 TYR 69 HB2 TYR 69 67.742 3.359 7.917 367 HB3 TYR 69 HB3 TYR 69 66.131 3.982 7.619 368 HD1 TYR 69 HD1 TYR 69 68.152 0.841 7.586 369 HD2 TYR 69 HD2 TYR 69 64.249 2.601 7.909 370 HE1 TYR 69 HE1 TYR 69 67.205 -1.371 8.187 371 HE2 TYR 69 HE2 TYR 69 63.299 0.389 8.506 372 HH TYR 69 HH TYR 69 64.841 -2.017 9.587 373 H ILE 70 H ILE 70 66.122 5.525 4.956 374 HA ILE 70 HA ILE 70 68.674 6.946 4.790 375 HB ILE 70 HB ILE 70 65.982 8.050 4.009 376 HG12 ILE 70 HG12 ILE 70 67.931 6.669 2.144 377 HG13 ILE 70 HG13 ILE 70 66.518 5.849 2.811 378 HG21 ILE 70 HG21 ILE 70 67.843 9.634 4.236 379 HG22 ILE 70 HG22 ILE 70 67.409 9.443 2.537 380 HG23 ILE 70 HG23 ILE 70 68.840 8.633 3.180 381 HD11 ILE 70 HD11 ILE 70 66.627 8.165 0.899 382 HD12 ILE 70 HD12 ILE 70 65.216 7.951 1.933 383 HD13 ILE 70 HD13 ILE 70 65.673 6.687 0.795 384 HA PRO 71 HA PRO 71 67.400 8.583 8.905 385 HB2 PRO 71 HB2 PRO 71 69.654 10.278 9.107 386 HB3 PRO 71 HB3 PRO 71 69.464 8.672 9.825 387 HG2 PRO 71 HG2 PRO 71 70.919 9.489 7.406 388 HG3 PRO 71 HG3 PRO 71 71.201 8.124 8.499 389 HD2 PRO 71 HD2 PRO 71 70.129 7.830 6.007 390 HD3 PRO 71 HD3 PRO 71 69.766 6.727 7.342 391 H VAL 72 H VAL 72 68.779 10.630 6.330 392 HA VAL 72 HA VAL 72 66.418 12.352 6.527 393 HB VAL 72 HB VAL 72 69.251 13.430 6.414 394 HG11 VAL 72 HG11 VAL 72 66.508 14.694 6.343 395 HG12 VAL 72 HG12 VAL 72 67.846 14.922 5.216 396 HG13 VAL 72 HG13 VAL 72 67.933 15.605 6.840 397 HG21 VAL 72 HG21 VAL 72 67.196 13.294 8.634 398 HG22 VAL 72 HG22 VAL 72 68.543 14.432 8.659 399 HG23 VAL 72 HG23 VAL 72 68.855 12.697 8.660 400 H GLN 73 H GLN 73 65.688 13.012 4.534 401 HA GLN 73 HA GLN 73 66.473 11.552 2.276 402 HB2 GLN 73 HB2 GLN 73 64.957 14.165 2.461 403 HB3 GLN 73 HB3 GLN 73 65.088 13.189 0.997 404 HG2 GLN 73 HG2 GLN 73 64.024 11.298 2.122 405 HG3 GLN 73 HG3 GLN 73 63.958 12.203 3.630 406 HE21 GLN 73 HE21 GLN 73 61.587 11.183 2.383 407 HE22 GLN 73 HE22 GLN 73 60.655 12.502 1.859 408 H ASP 74 H ASP 74 67.997 11.815 0.771 409 HA ASP 74 HA ASP 74 69.600 14.309 0.814 410 HB2 ASP 74 HB2 ASP 74 70.541 11.955 1.597 411 HB3 ASP 74 HB3 ASP 74 70.750 11.718 -0.133 412 HA PRO 75 HA PRO 75 67.609 14.022 -3.374 413 HB2 PRO 75 HB2 PRO 75 68.516 16.866 -3.409 414 HB3 PRO 75 HB3 PRO 75 66.947 16.174 -3.870 415 HG2 PRO 75 HG2 PRO 75 67.184 17.502 -1.613 416 HG3 PRO 75 HG3 PRO 75 66.227 16.007 -1.673 417 HD2 PRO 75 HD2 PRO 75 69.014 16.403 -0.608 418 HD3 PRO 75 HD3 PRO 75 67.675 15.449 0.077 419 H LYS 76 H LYS 76 70.740 15.264 -2.380 420 HA LYS 76 HA LYS 76 71.917 15.519 -4.954 421 HB2 LYS 76 HB2 LYS 76 72.856 16.515 -2.868 422 HB3 LYS 76 HB3 LYS 76 73.302 14.893 -2.335 423 HG2 LYS 76 HG2 LYS 76 74.668 14.620 -4.397 424 HG3 LYS 76 HG3 LYS 76 74.277 16.279 -4.850 425 HD2 LYS 76 HD2 LYS 76 75.266 17.044 -2.675 426 HD3 LYS 76 HD3 LYS 76 75.789 15.385 -2.381 427 HE2 LYS 76 HE2 LYS 76 77.672 16.445 -3.365 428 HE3 LYS 76 HE3 LYS 76 76.940 15.518 -4.675 429 HZ1 LYS 76 HZ1 LYS 76 76.263 18.355 -4.175 430 HZ2 LYS 76 HZ2 LYS 76 75.963 17.433 -5.570 431 HZ3 LYS 76 HZ3 LYS 76 77.551 17.898 -5.182 432 H LEU 77 H LEU 77 71.462 12.769 -2.810 433 HA LEU 77 HA LEU 77 73.366 11.019 -3.890 434 HB2 LEU 77 HB2 LEU 77 72.051 10.604 -1.816 435 HB3 LEU 77 HB3 LEU 77 70.627 10.306 -2.813 436 HG LEU 77 HG LEU 77 71.966 8.512 -4.008 437 HD11 LEU 77 HD11 LEU 77 73.864 9.197 -1.756 438 HD12 LEU 77 HD12 LEU 77 74.214 9.103 -3.483 439 HD13 LEU 77 HD13 LEU 77 73.896 7.630 -2.566 440 HD21 LEU 77 HD21 LEU 77 70.341 8.265 -1.952 441 HD22 LEU 77 HD22 LEU 77 71.822 7.879 -1.073 442 HD23 LEU 77 HD23 LEU 77 71.330 6.891 -2.449 443 H LEU 78 H LEU 78 70.088 11.816 -4.964 444 HA LEU 78 HA LEU 78 69.768 9.750 -6.850 445 HB2 LEU 78 HB2 LEU 78 68.692 12.580 -6.964 446 HB3 LEU 78 HB3 LEU 78 68.077 11.202 -7.876 447 HG LEU 78 HG LEU 78 68.163 11.360 -4.848 448 HD11 LEU 78 HD11 LEU 78 66.006 11.930 -6.879 449 HD12 LEU 78 HD12 LEU 78 66.497 12.903 -5.493 450 HD13 LEU 78 HD13 LEU 78 65.599 11.407 -5.244 451 HD21 LEU 78 HD21 LEU 78 68.249 9.066 -5.559 452 HD22 LEU 78 HD22 LEU 78 67.046 9.347 -6.820 453 HD23 LEU 78 HD23 LEU 78 66.571 9.388 -5.121 454 H ASP 79 H ASP 79 71.126 13.018 -7.173 455 HA ASP 79 HA ASP 79 71.571 12.944 -9.949 456 HB2 ASP 79 HB2 ASP 79 71.697 14.990 -8.509 457 HB3 ASP 79 HB3 ASP 79 73.242 14.406 -7.894 458 H ASN 80 H ASN 80 73.628 11.944 -7.239 459 HA ASN 80 HA ASN 80 75.952 11.381 -8.705 460 HB2 ASN 80 HB2 ASN 80 75.624 11.421 -6.160 461 HB3 ASN 80 HB3 ASN 80 75.033 9.770 -6.327 462 HD21 ASN 80 HD21 ASN 80 76.643 8.232 -6.053 463 HD22 ASN 80 HD22 ASN 80 78.285 8.464 -6.418 464 H LEU 81 H LEU 81 73.257 9.214 -7.810 465 HA LEU 81 HA LEU 81 74.283 6.881 -8.982 466 HB2 LEU 81 HB2 LEU 81 71.385 7.698 -8.666 467 HB3 LEU 81 HB3 LEU 81 71.971 6.059 -8.944 468 HG LEU 81 HG LEU 81 72.727 7.770 -6.557 469 HD11 LEU 81 HD11 LEU 81 70.719 5.521 -6.877 470 HD12 LEU 81 HD12 LEU 81 70.384 7.184 -6.391 471 HD13 LEU 81 HD13 LEU 81 71.285 6.115 -5.315 472 HD21 LEU 81 HD21 LEU 81 73.488 5.492 -5.703 473 HD22 LEU 81 HD22 LEU 81 74.457 6.165 -7.015 474 HD23 LEU 81 HD23 LEU 81 73.277 4.898 -7.351 475 H LEU 82 H LEU 82 72.452 9.553 -10.408 476 HA LEU 82 HA LEU 82 71.948 8.222 -12.884 477 HB2 LEU 82 HB2 LEU 82 72.092 11.185 -12.257 478 HB3 LEU 82 HB3 LEU 82 71.476 10.499 -13.761 479 HG LEU 82 HG LEU 82 70.357 9.850 -11.021 480 HD11 LEU 82 HD11 LEU 82 68.397 11.247 -11.935 481 HD12 LEU 82 HD12 LEU 82 69.549 11.873 -13.115 482 HD13 LEU 82 HD13 LEU 82 69.820 12.135 -11.392 483 HD21 LEU 82 HD21 LEU 82 69.598 9.166 -13.863 484 HD22 LEU 82 HD22 LEU 82 68.412 9.111 -12.559 485 HD23 LEU 82 HD23 LEU 82 69.836 8.072 -12.500 486 H THR 83 H THR 83 74.543 10.429 -11.829 487 HA THR 83 HA THR 83 75.862 10.610 -14.294 488 HB THR 83 HB THR 83 77.146 10.621 -11.556 489 HG1 THR 83 HG1 THR 83 76.638 12.777 -11.629 490 HG21 THR 83 HG21 THR 83 78.700 10.521 -13.490 491 HG22 THR 83 HG22 THR 83 78.804 12.064 -12.640 492 HG23 THR 83 HG23 THR 83 77.925 11.954 -14.166 493 H LYS 84 H LYS 84 75.983 8.089 -11.830 494 HA LYS 84 HA LYS 84 78.153 6.712 -13.177 495 HB2 LYS 84 HB2 LYS 84 76.497 5.929 -10.779 496 HB3 LYS 84 HB3 LYS 84 77.847 4.985 -11.416 497 HG2 LYS 84 HG2 LYS 84 79.259 7.095 -11.189 498 HG3 LYS 84 HG3 LYS 84 77.926 7.780 -10.261 499 HD2 LYS 84 HD2 LYS 84 79.310 5.171 -9.584 500 HD3 LYS 84 HD3 LYS 84 79.679 6.718 -8.823 501 HE2 LYS 84 HE2 LYS 84 78.134 5.844 -7.325 502 HE3 LYS 84 HE3 LYS 84 77.081 6.784 -8.382 503 HZ1 LYS 84 HZ1 LYS 84 76.020 4.939 -8.930 504 HZ2 LYS 84 HZ2 LYS 84 77.003 4.044 -7.871 505 HZ3 LYS 84 HZ3 LYS 84 77.456 4.236 -9.497 506 H ASN 85 H ASN 85 74.968 6.925 -13.973 507 HA ASN 85 HA ASN 85 73.567 5.687 -15.268 508 HB2 ASN 85 HB2 ASN 85 76.025 4.018 -15.853 509 HB3 ASN 85 HB3 ASN 85 74.542 4.076 -16.800 510 HD21 ASN 85 HD21 ASN 85 77.513 5.016 -17.272 511 HD22 ASN 85 HD22 ASN 85 77.305 6.573 -17.916 512 H VAL 86 H VAL 86 73.582 5.102 -12.532 513 HA VAL 86 HA VAL 86 73.256 2.193 -12.381 514 HB VAL 86 HB VAL 86 72.872 4.314 -10.249 515 HG11 VAL 86 HG11 VAL 86 71.648 2.125 -9.931 516 HG12 VAL 86 HG12 VAL 86 72.851 2.469 -8.688 517 HG13 VAL 86 HG13 VAL 86 73.215 1.315 -9.970 518 HG21 VAL 86 HG21 VAL 86 75.064 3.314 -9.413 519 HG22 VAL 86 HG22 VAL 86 75.186 4.295 -10.875 520 HG23 VAL 86 HG23 VAL 86 75.208 2.535 -10.989 521 H LYS 87 H LYS 87 71.243 1.195 -12.043 522 HA LYS 87 HA LYS 87 69.056 2.511 -13.342 523 HB2 LYS 87 HB2 LYS 87 69.465 0.045 -13.446 524 HB3 LYS 87 HB3 LYS 87 69.027 -0.061 -11.742 525 HG2 LYS 87 HG2 LYS 87 67.030 -0.583 -12.914 526 HG3 LYS 87 HG3 LYS 87 66.827 1.092 -12.401 527 HD2 LYS 87 HD2 LYS 87 67.508 1.888 -14.610 528 HD3 LYS 87 HD3 LYS 87 67.820 0.234 -15.135 529 HE2 LYS 87 HE2 LYS 87 65.439 -0.325 -14.767 530 HE3 LYS 87 HE3 LYS 87 65.132 1.340 -14.273 531 HZ1 LYS 87 HZ1 LYS 87 66.378 0.744 -16.879 532 HZ2 LYS 87 HZ2 LYS 87 65.524 2.131 -16.395 533 HZ3 LYS 87 HZ3 LYS 87 64.692 0.680 -16.695 534 H VAL 88 H VAL 88 67.323 3.544 -12.480 535 HA VAL 88 HA VAL 88 67.094 3.619 -9.527 536 HB VAL 88 HB VAL 88 66.796 5.997 -11.384 537 HG11 VAL 88 HG11 VAL 88 66.753 7.237 -9.190 538 HG12 VAL 88 HG12 VAL 88 66.645 5.678 -8.374 539 HG13 VAL 88 HG13 VAL 88 65.351 6.200 -9.453 540 HG21 VAL 88 HG21 VAL 88 69.042 5.023 -9.629 541 HG22 VAL 88 HG22 VAL 88 68.829 6.749 -9.922 542 HG23 VAL 88 HG23 VAL 88 69.118 5.655 -11.273 543 H VAL 89 H VAL 89 65.127 3.250 -8.782 544 HA VAL 89 HA VAL 89 62.825 3.456 -10.650 545 HB VAL 89 HB VAL 89 63.100 1.500 -8.354 546 HG11 VAL 89 HG11 VAL 89 60.804 1.968 -8.843 547 HG12 VAL 89 HG12 VAL 89 61.171 0.424 -9.611 548 HG13 VAL 89 HG13 VAL 89 61.091 1.894 -10.580 549 HG21 VAL 89 HG21 VAL 89 64.651 0.631 -9.863 550 HG22 VAL 89 HG22 VAL 89 63.791 1.258 -11.271 551 HG23 VAL 89 HG23 VAL 89 63.165 -0.148 -10.407 552 H GLY 90 H GLY 90 61.171 4.729 -9.958 553 HA2 GLY 90 HA2 GLY 90 61.232 5.645 -7.138 554 HA3 GLY 90 HA3 GLY 90 60.558 6.562 -8.481 555 H GLU 91 H GLU 91 59.624 5.024 -5.824 556 HA GLU 91 HA GLU 91 56.940 4.640 -6.869 557 HB2 GLU 91 HB2 GLU 91 58.614 2.381 -5.805 558 HB3 GLU 91 HB3 GLU 91 56.861 2.365 -5.608 559 HG2 GLU 91 HG2 GLU 91 56.732 2.835 -8.126 560 HG3 GLU 91 HG3 GLU 91 58.444 2.418 -8.180 561 HA PRO 92 HA PRO 92 57.172 6.643 -2.699 562 HB2 PRO 92 HB2 PRO 92 54.504 7.632 -3.585 563 HB3 PRO 92 HB3 PRO 92 55.853 8.522 -2.855 564 HG2 PRO 92 HG2 PRO 92 55.269 8.750 -5.440 565 HG3 PRO 92 HG3 PRO 92 56.942 8.785 -4.852 566 HD2 PRO 92 HD2 PRO 92 55.491 6.578 -6.252 567 HD3 PRO 92 HD3 PRO 92 57.204 7.044 -6.348 568 HA PRO 93 HA PRO 93 54.803 3.427 -0.697 569 HB2 PRO 93 HB2 PRO 93 54.019 5.497 1.316 570 HB3 PRO 93 HB3 PRO 93 54.733 3.891 1.569 571 HG2 PRO 93 HG2 PRO 93 56.217 6.043 1.840 572 HG3 PRO 93 HG3 PRO 93 56.867 4.607 1.023 573 HD2 PRO 93 HD2 PRO 93 55.872 7.167 -0.193 574 HD3 PRO 93 HD3 PRO 93 57.263 6.161 -0.662 575 H GLU 94 H GLU 94 52.693 2.677 -0.693 576 HA GLU 94 HA GLU 94 50.638 4.569 -1.653 577 HB2 GLU 94 HB2 GLU 94 50.740 1.544 -1.772 578 HB3 GLU 94 HB3 GLU 94 49.439 2.549 -2.414 579 HG2 GLU 94 HG2 GLU 94 52.342 2.690 -3.274 580 HG3 GLU 94 HG3 GLU 94 51.057 1.897 -4.177 581 H GLU 95 H GLU 95 48.786 4.906 -0.533 582 HA GLU 95 HA GLU 95 48.070 3.186 1.705 583 HB2 GLU 95 HB2 GLU 95 48.932 6.058 2.048 584 HB3 GLU 95 HB3 GLU 95 47.930 5.218 3.232 585 HG2 GLU 95 HG2 GLU 95 49.770 3.369 3.109 586 HG3 GLU 95 HG3 GLU 95 50.771 4.649 2.425 587 HA PRO 96 HA PRO 96 44.420 4.689 -0.761 588 HB2 PRO 96 HB2 PRO 96 43.244 2.540 0.959 589 HB3 PRO 96 HB3 PRO 96 42.960 2.893 -0.756 590 HG2 PRO 96 HG2 PRO 96 44.510 0.868 0.029 591 HG3 PRO 96 HG3 PRO 96 44.846 1.801 -1.439 592 HD2 PRO 96 HD2 PRO 96 46.307 1.793 1.135 593 HD3 PRO 96 HD3 PRO 96 46.871 2.252 -0.484 594 H LEU 97 H LEU 97 44.828 4.108 2.700 595 HA LEU 97 HA LEU 97 42.855 6.246 3.265 596 HB2 LEU 97 HB2 LEU 97 43.843 4.052 5.106 597 HB3 LEU 97 HB3 LEU 97 42.623 5.265 5.490 598 HG LEU 97 HG LEU 97 42.382 3.226 3.256 599 HD11 LEU 97 HD11 LEU 97 41.249 3.328 6.062 600 HD12 LEU 97 HD12 LEU 97 42.226 2.049 5.341 601 HD13 LEU 97 HD13 LEU 97 40.570 2.309 4.794 602 HD21 LEU 97 HD21 LEU 97 41.064 5.117 2.678 603 HD22 LEU 97 HD22 LEU 97 40.579 5.391 4.351 604 HD23 LEU 97 HD23 LEU 97 39.931 4.014 3.460 605 H GLU 98 H GLU 98 43.624 8.098 4.076 606 HA GLU 98 HA GLU 98 46.373 8.615 4.360 607 HB2 GLU 98 HB2 GLU 98 44.603 10.335 3.960 608 HB3 GLU 98 HB3 GLU 98 44.103 10.149 5.641 609 HG2 GLU 98 HG2 GLU 98 46.413 10.734 6.360 610 HG3 GLU 98 HG3 GLU 98 46.845 11.006 4.679 611 H HIS 99 H HIS 99 43.913 7.731 6.744 612 HA HIS 99 HA HIS 99 45.382 8.182 9.084 613 HB2 HIS 99 HB2 HIS 99 43.311 6.068 8.496 614 HB3 HIS 99 HB3 HIS 99 43.894 6.477 10.098 615 HD1 HIS 99 HD1 HIS 99 41.667 7.677 7.350 616 HD2 HIS 99 HD2 HIS 99 42.923 8.979 11.106 617 HE1 HIS 99 HE1 HIS 99 40.149 9.600 7.984 618 H HIS 100 H HIS 100 45.397 5.437 6.859 619 HA HIS 100 HA HIS 100 46.763 3.582 8.450 620 HB2 HIS 100 HB2 HIS 100 45.690 3.038 6.302 621 HB3 HIS 100 HB3 HIS 100 46.918 3.964 5.459 622 HD1 HIS 100 HD1 HIS 100 46.811 1.025 7.900 623 HD2 HIS 100 HD2 HIS 100 48.976 2.354 4.595 624 HE1 HIS 100 HE1 HIS 100 48.498 -0.788 7.373 625 H HIS 101 H HIS 101 48.917 3.093 8.745 626 HA HIS 101 HA HIS 101 50.885 5.081 7.763 627 HB2 HIS 101 HB2 HIS 101 50.233 5.186 10.251 628 HB3 HIS 101 HB3 HIS 101 51.089 3.665 10.410 629 HD1 HIS 101 HD1 HIS 101 51.882 7.048 8.806 630 HD2 HIS 101 HD2 HIS 101 53.653 4.168 11.243 631 HE1 HIS 101 HE1 HIS 101 54.198 7.906 9.358 632 H HIS 102 H HIS 102 52.458 4.207 6.592 633 HA HIS 102 HA HIS 102 52.455 1.503 5.872 634 HB2 HIS 102 HB2 HIS 102 53.381 3.323 4.491 635 HB3 HIS 102 HB3 HIS 102 54.709 3.493 5.623 636 HD1 HIS 102 HD1 HIS 102 53.180 0.709 3.498 637 HD2 HIS 102 HD2 HIS 102 56.902 2.030 4.834 638 HE1 HIS 102 HE1 HIS 102 54.901 -0.824 2.451 639 H HIS 103 H HIS 103 54.443 3.224 8.256 640 HA HIS 103 HA HIS 103 56.367 1.246 8.699 641 HB2 HIS 103 HB2 HIS 103 56.410 3.577 9.601 642 HB3 HIS 103 HB3 HIS 103 55.206 3.093 10.779 643 HD1 HIS 103 HD1 HIS 103 58.671 1.918 9.678 644 HD2 HIS 103 HD2 HIS 103 56.366 2.273 13.134 645 HE1 HIS 103 HE1 HIS 103 60.145 1.185 11.600 646 H HIS 104 H HIS 104 53.072 1.506 9.929 647 HA HIS 104 HA HIS 104 53.465 -1.010 11.442 648 HB2 HIS 104 HB2 HIS 104 51.394 1.166 11.748 649 HB3 HIS 104 HB3 HIS 104 51.383 -0.347 12.634 650 HD1 HIS 104 HD1 HIS 104 53.066 2.978 12.450 651 HD2 HIS 104 HD2 HIS 104 53.393 -0.529 14.681 652 HE1 HIS 104 HE1 HIS 104 54.569 3.517 14.413 Start of MODEL 15 1 H1 MET 23 HT1 MET 23 57.911 -11.562 -6.037 2 H2 MET 23 HT2 MET 23 57.242 -11.862 -4.505 3 H3 MET 23 HT3 MET 23 57.366 -13.119 -5.641 4 HA MET 23 HA MET 23 59.842 -12.787 -5.574 5 HB2 MET 23 HB2 MET 23 58.996 -11.194 -3.138 6 HB3 MET 23 HB3 MET 23 60.652 -11.699 -3.476 7 HG2 MET 23 HG2 MET 23 60.497 -10.489 -5.678 8 HG3 MET 23 HG3 MET 23 58.933 -9.858 -5.161 9 HE1 MET 23 HE1 MET 23 59.697 -9.361 -1.797 10 HE2 MET 23 HE2 MET 23 58.509 -8.885 -3.010 11 HE3 MET 23 HE3 MET 23 59.520 -7.660 -2.246 12 H ALA 24 H ALA 24 60.440 -14.780 -5.016 13 HA ALA 24 HA ALA 24 58.843 -16.522 -3.484 14 HB1 ALA 24 HB1 ALA 24 61.764 -16.713 -4.250 15 HB2 ALA 24 HB2 ALA 24 60.394 -17.378 -5.139 16 HB3 ALA 24 HB3 ALA 24 60.823 -18.034 -3.560 17 H SER 25 H SER 25 61.623 -14.520 -2.609 18 HA SER 25 HA SER 25 61.290 -15.373 0.213 19 HB2 SER 25 HB2 SER 25 63.640 -14.821 0.540 20 HB3 SER 25 HB3 SER 25 63.481 -15.977 -0.778 21 HG SER 25 HG SER 25 64.243 -13.365 -0.826 22 H GLU 26 H GLU 26 61.376 -13.780 1.817 23 HA GLU 26 HA GLU 26 61.174 -10.976 0.889 24 HB2 GLU 26 HB2 GLU 26 59.434 -12.353 2.950 25 HB3 GLU 26 HB3 GLU 26 59.412 -10.624 2.594 26 HG2 GLU 26 HG2 GLU 26 58.850 -11.148 0.228 27 HG3 GLU 26 HG3 GLU 26 58.789 -12.856 0.641 28 H SER 27 H SER 27 61.825 -13.187 3.582 29 HA SER 27 HA SER 27 62.712 -11.331 5.472 30 HB2 SER 27 HB2 SER 27 63.744 -14.141 5.039 31 HB3 SER 27 HB3 SER 27 63.886 -13.194 6.516 32 HG SER 27 HG SER 27 62.084 -14.466 6.655 33 H ASN 28 H ASN 28 64.371 -12.613 2.648 34 HA ASN 28 HA ASN 28 67.023 -12.047 3.332 35 HB2 ASN 28 HB2 ASN 28 65.670 -11.887 0.629 36 HB3 ASN 28 HB3 ASN 28 67.414 -11.897 0.886 37 HD21 ASN 28 HD21 ASN 28 65.951 -13.958 -0.586 38 HD22 ASN 28 HD22 ASN 28 66.145 -15.410 0.269 39 H GLY 29 H GLY 29 68.332 -10.248 3.089 40 HA2 GLY 29 HA2 GLY 29 68.421 -7.952 1.988 41 HA3 GLY 29 HA3 GLY 29 66.902 -7.669 2.832 42 H ARG 30 H ARG 30 70.353 -8.163 3.213 43 HA ARG 30 HA ARG 30 70.511 -8.061 6.039 44 HB2 ARG 30 HB2 ARG 30 72.518 -7.045 4.008 45 HB3 ARG 30 HB3 ARG 30 72.852 -7.418 5.698 46 HG2 ARG 30 HG2 ARG 30 71.814 -9.438 3.690 47 HG3 ARG 30 HG3 ARG 30 73.514 -9.254 4.117 48 HD2 ARG 30 HD2 ARG 30 72.898 -9.677 6.512 49 HD3 ARG 30 HD3 ARG 30 71.252 -10.014 5.985 50 HE ARG 30 HE ARG 30 72.823 -11.659 4.444 51 HH11 ARG 30 HH11 ARG 30 72.399 -11.221 7.902 52 HH12 ARG 30 HH12 ARG 30 72.793 -12.870 8.259 53 HH21 ARG 30 HH21 ARG 30 73.321 -13.769 4.967 54 HH22 ARG 30 HH22 ARG 30 73.307 -14.293 6.618 55 H LYS 31 H LYS 31 70.830 -6.324 7.471 56 HA LYS 31 HA LYS 31 69.637 -3.829 6.627 57 HB2 LYS 31 HB2 LYS 31 69.828 -3.150 8.938 58 HB3 LYS 31 HB3 LYS 31 69.238 -4.807 8.890 59 HG2 LYS 31 HG2 LYS 31 71.585 -5.600 9.269 60 HG3 LYS 31 HG3 LYS 31 72.082 -3.918 9.454 61 HD2 LYS 31 HD2 LYS 31 70.303 -3.725 11.270 62 HD3 LYS 31 HD3 LYS 31 70.171 -5.482 11.199 63 HE2 LYS 31 HE2 LYS 31 72.707 -5.541 11.546 64 HE3 LYS 31 HE3 LYS 31 72.585 -3.832 11.964 65 HZ1 LYS 31 HZ1 LYS 31 72.361 -5.716 13.768 66 HZ2 LYS 31 HZ2 LYS 31 70.739 -5.687 13.264 67 HZ3 LYS 31 HZ3 LYS 31 71.468 -4.278 13.871 68 H VAL 32 H VAL 32 70.623 -1.968 6.085 69 HA VAL 32 HA VAL 32 73.547 -1.768 6.479 70 HB VAL 32 HB VAL 32 72.070 -1.120 3.916 71 HG11 VAL 32 HG11 VAL 32 74.000 0.367 4.344 72 HG12 VAL 32 HG12 VAL 32 74.334 -0.737 3.008 73 HG13 VAL 32 HG13 VAL 32 75.027 -1.044 4.601 74 HG21 VAL 32 HG21 VAL 32 72.249 -3.489 4.051 75 HG22 VAL 32 HG22 VAL 32 73.855 -3.405 4.773 76 HG23 VAL 32 HG23 VAL 32 73.630 -2.990 3.075 77 H ASP 33 H ASP 33 74.263 0.130 7.149 78 HA ASP 33 HA ASP 33 72.451 2.294 7.729 79 HB2 ASP 33 HB2 ASP 33 74.378 1.675 9.197 80 HB3 ASP 33 HB3 ASP 33 75.469 2.235 7.931 81 H TYR 34 H TYR 34 72.521 4.402 6.856 82 HA TYR 34 HA TYR 34 72.698 4.586 4.082 83 HB2 TYR 34 HB2 TYR 34 71.420 6.163 5.393 84 HB3 TYR 34 HB3 TYR 34 72.867 6.735 6.194 85 HD1 TYR 34 HD1 TYR 34 72.375 6.059 2.552 86 HD2 TYR 34 HD2 TYR 34 72.907 9.021 5.617 87 HE1 TYR 34 HE1 TYR 34 72.654 7.808 0.817 88 HE2 TYR 34 HE2 TYR 34 73.173 10.771 3.879 89 HH TYR 34 HH TYR 34 72.751 11.145 1.573 90 H SER 35 H SER 35 75.164 5.313 6.533 91 HA SER 35 HA SER 35 77.016 6.608 4.868 92 HB2 SER 35 HB2 SER 35 77.620 4.799 7.218 93 HB3 SER 35 HB3 SER 35 78.682 6.028 6.542 94 HG SER 35 HG SER 35 77.507 6.820 8.291 95 H THR 36 H THR 36 76.521 3.167 5.557 96 HA THR 36 HA THR 36 78.836 2.253 4.167 97 HB THR 36 HB THR 36 76.269 0.748 4.729 98 HG1 THR 36 HG1 THR 36 77.040 1.328 6.639 99 HG21 THR 36 HG21 THR 36 79.096 -0.104 4.061 100 HG22 THR 36 HG22 THR 36 77.626 -0.453 3.151 101 HG23 THR 36 HG23 THR 36 77.888 -1.204 4.725 102 H PHE 37 H PHE 37 75.445 2.693 3.219 103 HA PHE 37 HA PHE 37 75.601 1.594 0.657 104 HB2 PHE 37 HB2 PHE 37 73.486 2.212 1.661 105 HB3 PHE 37 HB3 PHE 37 73.943 3.903 1.669 106 HD1 PHE 37 HD2 PHE 37 72.804 1.076 -0.406 107 HD2 PHE 37 HD1 PHE 37 73.899 5.229 -0.373 108 HE1 PHE 37 HE2 PHE 37 71.813 1.359 -2.662 109 HE2 PHE 37 HE1 PHE 37 72.911 5.510 -2.629 110 HZ PHE 37 HZ PHE 37 71.865 3.574 -3.773 111 H LEU 38 H LEU 38 76.351 4.909 1.738 112 HA LEU 38 HA LEU 38 76.742 6.019 -0.809 113 HB2 LEU 38 HB2 LEU 38 78.048 6.744 1.823 114 HB3 LEU 38 HB3 LEU 38 78.070 7.749 0.371 115 HG LEU 38 HG LEU 38 75.518 6.781 1.685 116 HD11 LEU 38 HD11 LEU 38 76.508 9.612 1.853 117 HD12 LEU 38 HD12 LEU 38 77.105 8.419 3.006 118 HD13 LEU 38 HD13 LEU 38 75.377 8.757 2.904 119 HD21 LEU 38 HD21 LEU 38 75.011 7.361 -0.529 120 HD22 LEU 38 HD22 LEU 38 76.228 8.636 -0.576 121 HD23 LEU 38 HD23 LEU 38 74.731 8.879 0.325 122 H GLN 39 H GLN 39 79.008 4.366 1.362 123 HA GLN 39 HA GLN 39 81.333 4.792 -0.182 124 HB2 GLN 39 HB2 GLN 39 81.317 3.928 2.161 125 HB3 GLN 39 HB3 GLN 39 80.713 2.386 1.549 126 HG2 GLN 39 HG2 GLN 39 82.727 2.271 0.048 127 HG3 GLN 39 HG3 GLN 39 83.352 3.706 0.861 128 HE21 GLN 39 HE21 GLN 39 84.868 3.117 2.409 129 HE22 GLN 39 HE22 GLN 39 84.766 1.745 3.402 130 H GLU 40 H GLU 40 78.943 2.166 -0.248 131 HA GLU 40 HA GLU 40 80.249 0.571 -2.159 132 HB2 GLU 40 HB2 GLU 40 77.300 0.837 -1.549 133 HB3 GLU 40 HB3 GLU 40 78.013 -0.445 -2.533 134 HG2 GLU 40 HG2 GLU 40 79.467 -1.069 -0.609 135 HG3 GLU 40 HG3 GLU 40 78.658 0.148 0.369 136 H VAL 41 H VAL 41 77.892 3.193 -2.547 137 HA VAL 41 HA VAL 41 77.546 3.047 -5.312 138 HB VAL 41 HB VAL 41 77.583 5.501 -3.534 139 HG11 VAL 41 HG11 VAL 41 77.739 6.145 -5.880 140 HG12 VAL 41 HG12 VAL 41 76.101 6.462 -5.303 141 HG13 VAL 41 HG13 VAL 41 76.426 5.044 -6.301 142 HG21 VAL 41 HG21 VAL 41 75.140 4.055 -4.536 143 HG22 VAL 41 HG22 VAL 41 75.306 5.113 -3.136 144 HG23 VAL 41 HG23 VAL 41 75.967 3.480 -3.090 145 H ASN 42 H ASN 42 79.972 4.864 -3.428 146 HA ASN 42 HA ASN 42 81.346 6.023 -5.576 147 HB2 ASN 42 HB2 ASN 42 82.377 5.113 -2.881 148 HB3 ASN 42 HB3 ASN 42 83.269 6.146 -3.998 149 HD21 ASN 42 HD21 ASN 42 81.491 6.411 -1.255 150 HD22 ASN 42 HD22 ASN 42 80.771 7.927 -1.511 151 H ASN 43 H ASN 43 81.545 2.784 -4.227 152 HA ASN 43 HA ASN 43 83.861 2.083 -5.843 153 HB2 ASN 43 HB2 ASN 43 82.114 0.441 -4.005 154 HB3 ASN 43 HB3 ASN 43 83.539 -0.175 -4.836 155 HD21 ASN 43 HD21 ASN 43 83.306 -0.031 -1.942 156 HD22 ASN 43 HD22 ASN 43 84.478 1.067 -1.392 157 H ASP 44 H ASP 44 80.839 2.579 -6.857 158 HA ASP 44 HA ASP 44 79.499 1.766 -8.525 159 HB2 ASP 44 HB2 ASP 44 81.626 2.346 -9.720 160 HB3 ASP 44 HB3 ASP 44 82.101 0.655 -9.587 161 H GLN 45 H GLN 45 79.772 0.007 -6.217 162 HA GLN 45 HA GLN 45 79.691 -2.666 -7.393 163 HB2 GLN 45 HB2 GLN 45 79.378 -1.753 -4.524 164 HB3 GLN 45 HB3 GLN 45 79.370 -3.433 -5.059 165 HG2 GLN 45 HG2 GLN 45 81.646 -1.476 -5.482 166 HG3 GLN 45 HG3 GLN 45 81.608 -2.743 -4.258 167 HE21 GLN 45 HE21 GLN 45 82.897 -2.112 -7.234 168 HE22 GLN 45 HE22 GLN 45 82.990 -3.693 -7.848 169 H VAL 46 H VAL 46 77.442 -0.177 -6.463 170 HA VAL 46 HA VAL 46 75.205 -1.994 -6.138 171 HB VAL 46 HB VAL 46 75.219 1.025 -6.413 172 HG11 VAL 46 HG11 VAL 46 73.136 -0.972 -5.490 173 HG12 VAL 46 HG12 VAL 46 73.017 0.145 -6.851 174 HG13 VAL 46 HG13 VAL 46 73.014 0.764 -5.200 175 HG21 VAL 46 HG21 VAL 46 75.135 -0.704 -3.920 176 HG22 VAL 46 HG22 VAL 46 75.103 1.058 -3.970 177 HG23 VAL 46 HG23 VAL 46 76.551 0.189 -4.474 178 H ARG 47 H ARG 47 73.657 -2.488 -7.632 179 HA ARG 47 HA ARG 47 74.179 -1.599 -10.398 180 HB2 ARG 47 HB2 ARG 47 74.254 -4.040 -9.917 181 HB3 ARG 47 HB3 ARG 47 72.569 -3.962 -9.407 182 HG2 ARG 47 HG2 ARG 47 71.951 -3.101 -11.656 183 HG3 ARG 47 HG3 ARG 47 73.632 -3.275 -12.161 184 HD2 ARG 47 HD2 ARG 47 73.510 -5.702 -11.596 185 HD3 ARG 47 HD3 ARG 47 71.799 -5.500 -11.228 186 HE ARG 47 HE ARG 47 72.575 -4.594 -13.872 187 HH11 ARG 47 HH11 ARG 47 71.423 -7.331 -11.998 188 HH12 ARG 47 HH12 ARG 47 70.769 -8.133 -13.387 189 HH21 ARG 47 HH21 ARG 47 71.713 -5.674 -15.622 190 HH22 ARG 47 HH22 ARG 47 70.932 -7.206 -15.412 191 H GLU 48 H GLU 48 71.541 -2.216 -8.096 192 HA GLU 48 HA GLU 48 69.852 -0.291 -9.575 193 HB2 GLU 48 HB2 GLU 48 69.261 -2.635 -10.200 194 HB3 GLU 48 HB3 GLU 48 68.913 -2.959 -8.501 195 HG2 GLU 48 HG2 GLU 48 67.239 -1.127 -8.518 196 HG3 GLU 48 HG3 GLU 48 67.543 -0.883 -10.233 197 H ALA 49 H ALA 49 68.600 1.024 -8.321 198 HA ALA 49 HA ALA 49 68.312 0.365 -5.458 199 HB1 ALA 49 HB1 ALA 49 69.021 3.091 -6.572 200 HB2 ALA 49 HB2 ALA 49 70.112 2.033 -5.675 201 HB3 ALA 49 HB3 ALA 49 68.695 2.721 -4.879 202 H ARG 50 H ARG 50 66.230 0.124 -5.095 203 HA ARG 50 HA ARG 50 64.233 1.665 -6.586 204 HB2 ARG 50 HB2 ARG 50 64.004 -0.558 -4.539 205 HB3 ARG 50 HB3 ARG 50 62.621 0.240 -5.282 206 HG2 ARG 50 HG2 ARG 50 63.511 -0.427 -7.528 207 HG3 ARG 50 HG3 ARG 50 64.789 -1.328 -6.711 208 HD2 ARG 50 HD2 ARG 50 61.809 -1.810 -6.437 209 HD3 ARG 50 HD3 ARG 50 62.951 -2.833 -7.302 210 HE ARG 50 HE ARG 50 63.859 -2.548 -4.659 211 HH11 ARG 50 HH11 ARG 50 61.167 -4.035 -6.352 212 HH12 ARG 50 HH12 ARG 50 60.958 -5.263 -5.148 213 HH21 ARG 50 HH21 ARG 50 63.542 -4.154 -3.143 214 HH22 ARG 50 HH22 ARG 50 62.286 -5.328 -3.355 215 H ILE 51 H ILE 51 63.114 3.343 -5.703 216 HA ILE 51 HA ILE 51 63.827 4.144 -2.954 217 HB ILE 51 HB ILE 51 62.784 5.769 -5.291 218 HG12 ILE 51 HG12 ILE 51 65.518 5.794 -3.987 219 HG13 ILE 51 HG13 ILE 51 65.146 4.879 -5.448 220 HG21 ILE 51 HG21 ILE 51 63.674 6.599 -2.513 221 HG22 ILE 51 HG22 ILE 51 62.058 6.768 -3.203 222 HG23 ILE 51 HG23 ILE 51 63.394 7.722 -3.846 223 HD11 ILE 51 HD11 ILE 51 66.070 6.980 -6.162 224 HD12 ILE 51 HD12 ILE 51 65.010 7.880 -5.077 225 HD13 ILE 51 HD13 ILE 51 64.337 7.049 -6.479 226 H ASN 52 H ASN 52 62.333 4.129 -1.422 227 HA ASN 52 HA ASN 52 59.512 4.571 -2.110 228 HB2 ASN 52 HB2 ASN 52 59.932 2.110 -1.780 229 HB3 ASN 52 HB3 ASN 52 60.444 2.474 -0.134 230 HD21 ASN 52 HD21 ASN 52 58.580 1.203 0.678 231 HD22 ASN 52 HD22 ASN 52 57.020 1.867 0.645 232 H GLY 53 H GLY 53 60.092 6.732 -1.382 233 HA2 GLY 53 HA2 GLY 53 60.119 8.412 0.187 234 HA3 GLY 53 HA3 GLY 53 59.447 7.240 1.316 235 H ARG 54 H ARG 54 60.646 6.930 3.065 236 HA ARG 54 HA ARG 54 63.372 7.871 3.223 237 HB2 ARG 54 HB2 ARG 54 61.746 8.047 5.115 238 HB3 ARG 54 HB3 ARG 54 61.791 6.290 5.258 239 HG2 ARG 54 HG2 ARG 54 64.232 6.393 5.656 240 HG3 ARG 54 HG3 ARG 54 64.160 8.154 5.565 241 HD2 ARG 54 HD2 ARG 54 62.527 8.144 7.449 242 HD3 ARG 54 HD3 ARG 54 62.726 6.399 7.576 243 HE ARG 54 HE ARG 54 65.266 7.241 7.795 244 HH11 ARG 54 HH11 ARG 54 62.365 8.393 9.401 245 HH12 ARG 54 HH12 ARG 54 63.227 8.889 10.820 246 HH21 ARG 54 HH21 ARG 54 66.320 7.894 9.649 247 HH22 ARG 54 HH22 ARG 54 65.438 8.610 10.956 248 H GLU 55 H GLU 55 61.885 4.808 2.516 249 HA GLU 55 HA GLU 55 64.313 3.349 3.306 250 HB2 GLU 55 HB2 GLU 55 62.061 2.567 4.074 251 HB3 GLU 55 HB3 GLU 55 61.643 2.265 2.388 252 HG2 GLU 55 HG2 GLU 55 63.597 0.734 2.210 253 HG3 GLU 55 HG3 GLU 55 63.925 0.987 3.918 254 H ILE 56 H ILE 56 65.684 2.523 1.823 255 HA ILE 56 HA ILE 56 64.821 2.447 -1.018 256 HB ILE 56 HB ILE 56 67.630 2.878 0.049 257 HG12 ILE 56 HG12 ILE 56 65.818 4.853 -1.369 258 HG13 ILE 56 HG13 ILE 56 66.023 4.810 0.382 259 HG21 ILE 56 HG21 ILE 56 68.253 3.202 -2.248 260 HG22 ILE 56 HG22 ILE 56 66.570 3.170 -2.774 261 HG23 ILE 56 HG23 ILE 56 67.339 1.696 -2.188 262 HD11 ILE 56 HD11 ILE 56 68.334 5.106 -1.559 263 HD12 ILE 56 HD12 ILE 56 68.379 5.289 0.194 264 HD13 ILE 56 HD13 ILE 56 67.520 6.469 -0.794 265 H ASN 57 H ASN 57 64.909 0.462 -1.945 266 HA ASN 57 HA ASN 57 66.296 -1.702 -0.474 267 HB2 ASN 57 HB2 ASN 57 64.061 -1.728 -2.510 268 HB3 ASN 57 HB3 ASN 57 64.947 -3.185 -2.060 269 HD21 ASN 57 HD21 ASN 57 62.223 -1.371 -1.255 270 HD22 ASN 57 HD22 ASN 57 62.005 -1.931 0.332 271 H VAL 58 H VAL 58 68.040 -2.712 -1.411 272 HA VAL 58 HA VAL 58 68.914 -1.594 -4.017 273 HB VAL 58 HB VAL 58 70.656 -2.060 -1.592 274 HG11 VAL 58 HG11 VAL 58 72.057 -2.230 -3.461 275 HG12 VAL 58 HG12 VAL 58 72.162 -0.511 -3.080 276 HG13 VAL 58 HG13 VAL 58 71.119 -1.063 -4.392 277 HG21 VAL 58 HG21 VAL 58 69.833 0.610 -2.761 278 HG22 VAL 58 HG22 VAL 58 70.701 0.310 -1.256 279 HG23 VAL 58 HG23 VAL 58 69.001 -0.121 -1.388 280 H THR 59 H THR 59 69.837 -2.963 -5.413 281 HA THR 59 HA THR 59 70.534 -5.690 -4.477 282 HB THR 59 HB THR 59 69.650 -4.828 -7.246 283 HG1 THR 59 HG1 THR 59 68.304 -6.248 -5.267 284 HG21 THR 59 HG21 THR 59 70.592 -7.401 -6.035 285 HG22 THR 59 HG22 THR 59 70.923 -6.727 -7.631 286 HG23 THR 59 HG23 THR 59 69.354 -7.458 -7.289 287 H LYS 60 H LYS 60 72.635 -6.178 -4.610 288 HA LYS 60 HA LYS 60 74.485 -4.394 -5.946 289 HB2 LYS 60 HB2 LYS 60 74.903 -6.955 -4.395 290 HB3 LYS 60 HB3 LYS 60 76.206 -5.961 -5.047 291 HG2 LYS 60 HG2 LYS 60 75.336 -4.027 -3.730 292 HG3 LYS 60 HG3 LYS 60 74.135 -5.100 -3.007 293 HD2 LYS 60 HD2 LYS 60 75.985 -6.559 -2.186 294 HD3 LYS 60 HD3 LYS 60 77.148 -5.391 -2.815 295 HE2 LYS 60 HE2 LYS 60 75.823 -3.659 -1.388 296 HE3 LYS 60 HE3 LYS 60 75.208 -5.075 -0.536 297 HZ1 LYS 60 HZ1 LYS 60 77.728 -5.702 -0.502 298 HZ2 LYS 60 HZ2 LYS 60 77.085 -4.639 0.657 299 HZ3 LYS 60 HZ3 LYS 60 77.943 -4.029 -0.676 300 H LYS 61 H LYS 61 76.052 -5.114 -7.518 301 HA LYS 61 HA LYS 61 75.041 -6.526 -9.686 302 HB2 LYS 61 HB2 LYS 61 77.278 -6.509 -10.582 303 HB3 LYS 61 HB3 LYS 61 76.988 -4.988 -9.746 304 HG2 LYS 61 HG2 LYS 61 78.158 -5.922 -7.739 305 HG3 LYS 61 HG3 LYS 61 78.540 -7.364 -8.679 306 HD2 LYS 61 HD2 LYS 61 79.617 -5.807 -10.389 307 HD3 LYS 61 HD3 LYS 61 79.470 -4.531 -9.179 308 HE2 LYS 61 HE2 LYS 61 81.606 -5.340 -8.721 309 HE3 LYS 61 HE3 LYS 61 80.632 -6.295 -7.604 310 HZ1 LYS 61 HZ1 LYS 61 80.592 -8.094 -9.173 311 HZ2 LYS 61 HZ2 LYS 61 82.205 -7.644 -8.891 312 HZ3 LYS 61 HZ3 LYS 61 81.428 -7.172 -10.326 313 H ASP 62 H ASP 62 76.489 -7.804 -6.782 314 HA ASP 62 HA ASP 62 77.028 -10.400 -7.989 315 HB2 ASP 62 HB2 ASP 62 78.522 -9.331 -6.271 316 HB3 ASP 62 HB3 ASP 62 77.253 -9.618 -5.084 317 H SER 63 H SER 63 74.164 -9.223 -7.418 318 HA SER 63 HA SER 63 72.128 -10.216 -7.153 319 HB2 SER 63 HB2 SER 63 73.313 -12.271 -8.080 320 HB3 SER 63 HB3 SER 63 73.479 -12.799 -6.409 321 HG SER 63 HG SER 63 71.252 -12.592 -7.970 322 H ASN 64 H ASN 64 74.362 -9.886 -4.645 323 HA ASN 64 HA ASN 64 72.782 -10.933 -2.499 324 HB2 ASN 64 HB2 ASN 64 74.922 -8.790 -2.471 325 HB3 ASN 64 HB3 ASN 64 74.283 -9.627 -1.057 326 HD21 ASN 64 HD21 ASN 64 74.176 -12.284 -1.982 327 HD22 ASN 64 HD22 ASN 64 75.746 -12.817 -2.342 328 H ARG 65 H ARG 65 71.179 -9.943 -1.315 329 HA ARG 65 HA ARG 65 70.311 -7.273 -2.276 330 HB2 ARG 65 HB2 ARG 65 68.702 -9.542 -1.087 331 HB3 ARG 65 HB3 ARG 65 68.052 -7.963 -1.532 332 HG2 ARG 65 HG2 ARG 65 68.840 -8.337 -3.869 333 HG3 ARG 65 HG3 ARG 65 69.366 -9.955 -3.403 334 HD2 ARG 65 HD2 ARG 65 67.005 -10.419 -2.653 335 HD3 ARG 65 HD3 ARG 65 66.538 -8.872 -3.352 336 HE ARG 65 HE ARG 65 67.934 -10.714 -5.133 337 HH11 ARG 65 HH11 ARG 65 64.829 -9.465 -4.071 338 HH12 ARG 65 HH12 ARG 65 64.014 -9.993 -5.506 339 HH21 ARG 65 HH21 ARG 65 66.830 -11.370 -6.956 340 HH22 ARG 65 HH22 ARG 65 65.134 -11.058 -7.118 341 H TYR 66 H TYR 66 69.817 -5.682 -0.851 342 HA TYR 66 HA TYR 66 69.648 -6.246 1.992 343 HB2 TYR 66 HB2 TYR 66 71.430 -4.845 2.681 344 HB3 TYR 66 HB3 TYR 66 72.077 -5.974 1.515 345 HD1 TYR 66 HD1 TYR 66 71.167 -2.459 2.159 346 HD2 TYR 66 HD2 TYR 66 72.924 -5.212 -0.632 347 HE1 TYR 66 HE1 TYR 66 72.119 -0.558 0.884 348 HE2 TYR 66 HE2 TYR 66 73.873 -3.310 -1.908 349 HH TYR 66 HH TYR 66 74.485 -0.809 -1.240 350 H THR 67 H THR 67 69.095 -4.266 3.241 351 HA THR 67 HA THR 67 67.702 -2.245 1.591 352 HB THR 67 HB THR 67 66.604 -3.383 4.168 353 HG1 THR 67 HG1 THR 67 65.802 -4.892 2.995 354 HG21 THR 67 HG21 THR 67 65.528 -1.357 3.863 355 HG22 THR 67 HG22 THR 67 64.492 -2.403 2.892 356 HG23 THR 67 HG23 THR 67 65.710 -1.399 2.109 357 H THR 68 H THR 68 67.895 -0.163 2.292 358 HA THR 68 HA THR 68 69.343 0.285 4.841 359 HB THR 68 HB THR 68 70.919 0.470 2.969 360 HG1 THR 68 HG1 THR 68 70.223 2.945 4.027 361 HG21 THR 68 HG21 THR 68 69.082 2.668 1.975 362 HG22 THR 68 HG22 THR 68 69.265 1.083 1.223 363 HG23 THR 68 HG23 THR 68 70.628 2.202 1.264 364 H TYR 69 H TYR 69 68.836 2.127 5.975 365 HA TYR 69 HA TYR 69 66.393 3.537 5.089 366 HB2 TYR 69 HB2 TYR 69 67.654 3.335 7.826 367 HB3 TYR 69 HB3 TYR 69 66.174 4.197 7.450 368 HD1 TYR 69 HD1 TYR 69 67.740 0.901 7.894 369 HD2 TYR 69 HD2 TYR 69 64.101 2.988 6.970 370 HE1 TYR 69 HE1 TYR 69 66.449 -1.183 8.267 371 HE2 TYR 69 HE2 TYR 69 62.810 0.903 7.343 372 HH TYR 69 HH TYR 69 63.192 -1.485 7.402 373 H ILE 70 H ILE 70 66.377 5.746 4.827 374 HA ILE 70 HA ILE 70 68.995 7.030 4.780 375 HB ILE 70 HB ILE 70 66.378 8.253 3.906 376 HG12 ILE 70 HG12 ILE 70 68.358 6.796 2.128 377 HG13 ILE 70 HG13 ILE 70 66.872 6.051 2.716 378 HG21 ILE 70 HG21 ILE 70 68.522 9.617 4.290 379 HG22 ILE 70 HG22 ILE 70 67.749 9.779 2.713 380 HG23 ILE 70 HG23 ILE 70 69.178 8.760 2.895 381 HD11 ILE 70 HD11 ILE 70 67.225 8.273 0.744 382 HD12 ILE 70 HD12 ILE 70 65.778 8.277 1.750 383 HD13 ILE 70 HD13 ILE 70 66.117 6.903 0.702 384 HA PRO 71 HA PRO 71 67.884 8.749 8.866 385 HB2 PRO 71 HB2 PRO 71 69.858 10.751 8.886 386 HB3 PRO 71 HB3 PRO 71 70.022 9.112 9.537 387 HG2 PRO 71 HG2 PRO 71 70.946 10.215 6.951 388 HG3 PRO 71 HG3 PRO 71 71.686 8.986 7.994 389 HD2 PRO 71 HD2 PRO 71 70.403 8.306 5.717 390 HD3 PRO 71 HD3 PRO 71 70.353 7.269 7.154 391 H VAL 72 H VAL 72 68.683 10.919 6.152 392 HA VAL 72 HA VAL 72 66.169 12.347 6.635 393 HB VAL 72 HB VAL 72 67.293 14.532 6.306 394 HG11 VAL 72 HG11 VAL 72 66.917 13.374 8.596 395 HG12 VAL 72 HG12 VAL 72 68.027 14.742 8.540 396 HG13 VAL 72 HG13 VAL 72 68.659 13.096 8.581 397 HG21 VAL 72 HG21 VAL 72 69.747 14.651 6.465 398 HG22 VAL 72 HG22 VAL 72 69.271 13.668 5.080 399 HG23 VAL 72 HG23 VAL 72 69.836 12.893 6.559 400 H GLN 73 H GLN 73 65.346 13.407 4.741 401 HA GLN 73 HA GLN 73 65.765 11.981 2.349 402 HB2 GLN 73 HB2 GLN 73 63.701 13.279 2.915 403 HB3 GLN 73 HB3 GLN 73 64.606 14.765 2.623 404 HG2 GLN 73 HG2 GLN 73 63.485 14.305 0.575 405 HG3 GLN 73 HG3 GLN 73 65.155 13.801 0.314 406 HE21 GLN 73 HE21 GLN 73 65.353 11.752 -0.585 407 HE22 GLN 73 HE22 GLN 73 64.206 10.510 -0.442 408 H ASP 74 H ASP 74 67.307 12.123 0.855 409 HA ASP 74 HA ASP 74 69.028 14.538 0.813 410 HB2 ASP 74 HB2 ASP 74 69.888 12.155 1.602 411 HB3 ASP 74 HB3 ASP 74 70.030 11.885 -0.131 412 HA PRO 75 HA PRO 75 67.016 14.328 -3.373 413 HB2 PRO 75 HB2 PRO 75 68.016 17.141 -3.346 414 HB3 PRO 75 HB3 PRO 75 66.437 16.508 -3.857 415 HG2 PRO 75 HG2 PRO 75 66.660 17.796 -1.574 416 HG3 PRO 75 HG3 PRO 75 65.655 16.335 -1.681 417 HD2 PRO 75 HD2 PRO 75 68.421 16.627 -0.531 418 HD3 PRO 75 HD3 PRO 75 67.035 15.699 0.094 419 H LYS 76 H LYS 76 70.148 15.508 -2.299 420 HA LYS 76 HA LYS 76 71.419 15.675 -4.834 421 HB2 LYS 76 HB2 LYS 76 72.305 16.699 -2.739 422 HB3 LYS 76 HB3 LYS 76 72.693 15.080 -2.154 423 HG2 LYS 76 HG2 LYS 76 74.126 14.728 -4.158 424 HG3 LYS 76 HG3 LYS 76 73.792 16.385 -4.661 425 HD2 LYS 76 HD2 LYS 76 74.722 17.178 -2.471 426 HD3 LYS 76 HD3 LYS 76 75.189 15.513 -2.118 427 HE2 LYS 76 HE2 LYS 76 77.144 16.417 -3.062 428 HE3 LYS 76 HE3 LYS 76 76.386 15.600 -4.428 429 HZ1 LYS 76 HZ1 LYS 76 75.797 18.431 -3.855 430 HZ2 LYS 76 HZ2 LYS 76 75.656 17.586 -5.322 431 HZ3 LYS 76 HZ3 LYS 76 77.190 18.002 -4.724 432 H LEU 77 H LEU 77 70.746 12.973 -2.702 433 HA LEU 77 HA LEU 77 72.712 11.175 -3.567 434 HB2 LEU 77 HB2 LEU 77 71.195 10.818 -1.621 435 HB3 LEU 77 HB3 LEU 77 69.875 10.508 -2.748 436 HG LEU 77 HG LEU 77 71.313 8.685 -3.770 437 HD11 LEU 77 HD11 LEU 77 73.502 9.267 -3.048 438 HD12 LEU 77 HD12 LEU 77 73.086 7.827 -2.118 439 HD13 LEU 77 HD13 LEU 77 72.991 9.421 -1.367 440 HD21 LEU 77 HD21 LEU 77 70.466 8.515 -0.864 441 HD22 LEU 77 HD22 LEU 77 70.926 7.110 -1.826 442 HD23 LEU 77 HD23 LEU 77 69.515 8.066 -2.281 443 H LEU 78 H LEU 78 69.576 12.013 -4.977 444 HA LEU 78 HA LEU 78 69.400 9.918 -6.851 445 HB2 LEU 78 HB2 LEU 78 68.414 12.769 -7.127 446 HB3 LEU 78 HB3 LEU 78 67.866 11.389 -8.077 447 HG LEU 78 HG LEU 78 67.632 11.601 -5.061 448 HD11 LEU 78 HD11 LEU 78 65.182 11.834 -5.573 449 HD12 LEU 78 HD12 LEU 78 65.602 12.010 -7.276 450 HD13 LEU 78 HD13 LEU 78 66.146 13.212 -6.105 451 HD21 LEU 78 HD21 LEU 78 66.847 9.544 -7.121 452 HD22 LEU 78 HD22 LEU 78 65.938 9.686 -5.616 453 HD23 LEU 78 HD23 LEU 78 67.659 9.303 -5.573 454 H ASP 79 H ASP 79 70.861 13.147 -7.091 455 HA ASP 79 HA ASP 79 71.628 12.994 -9.794 456 HB2 ASP 79 HB2 ASP 79 72.901 14.499 -7.497 457 HB3 ASP 79 HB3 ASP 79 73.288 14.755 -9.198 458 H ASN 80 H ASN 80 73.316 12.011 -6.835 459 HA ASN 80 HA ASN 80 75.778 11.333 -7.994 460 HB2 ASN 80 HB2 ASN 80 75.245 11.472 -5.527 461 HB3 ASN 80 HB3 ASN 80 74.475 9.894 -5.678 462 HD21 ASN 80 HD21 ASN 80 77.624 11.526 -6.310 463 HD22 ASN 80 HD22 ASN 80 78.561 10.137 -6.036 464 H LEU 81 H LEU 81 72.896 9.302 -7.428 465 HA LEU 81 HA LEU 81 73.966 6.887 -8.377 466 HB2 LEU 81 HB2 LEU 81 71.102 7.864 -8.496 467 HB3 LEU 81 HB3 LEU 81 71.622 6.191 -8.694 468 HG LEU 81 HG LEU 81 72.157 7.858 -6.220 469 HD11 LEU 81 HD11 LEU 81 70.355 6.682 -5.165 470 HD12 LEU 81 HD12 LEU 81 70.172 5.595 -6.542 471 HD13 LEU 81 HD13 LEU 81 69.715 7.293 -6.691 472 HD21 LEU 81 HD21 LEU 81 72.714 5.022 -7.057 473 HD22 LEU 81 HD22 LEU 81 72.485 5.407 -5.352 474 HD23 LEU 81 HD23 LEU 81 73.788 6.172 -6.261 475 H LEU 82 H LEU 82 72.488 9.591 -10.124 476 HA LEU 82 HA LEU 82 72.331 8.221 -12.625 477 HB2 LEU 82 HB2 LEU 82 72.528 11.196 -12.072 478 HB3 LEU 82 HB3 LEU 82 72.067 10.471 -13.611 479 HG LEU 82 HG LEU 82 70.583 10.041 -11.002 480 HD11 LEU 82 HD11 LEU 82 69.935 11.798 -13.391 481 HD12 LEU 82 HD12 LEU 82 70.366 12.364 -11.777 482 HD13 LEU 82 HD13 LEU 82 68.853 11.495 -12.033 483 HD21 LEU 82 HD21 LEU 82 70.124 8.177 -12.365 484 HD22 LEU 82 HD22 LEU 82 70.205 9.126 -13.848 485 HD23 LEU 82 HD23 LEU 82 68.817 9.289 -12.774 486 H THR 83 H THR 83 74.809 10.372 -11.225 487 HA THR 83 HA THR 83 76.557 10.365 -13.416 488 HB THR 83 HB THR 83 77.331 10.427 -10.492 489 HG1 THR 83 HG1 THR 83 75.870 12.008 -10.877 490 HG21 THR 83 HG21 THR 83 78.650 11.429 -13.029 491 HG22 THR 83 HG22 THR 83 79.253 10.176 -11.943 492 HG23 THR 83 HG23 THR 83 79.188 11.854 -11.404 493 H LYS 84 H LYS 84 76.052 7.958 -10.907 494 HA LYS 84 HA LYS 84 78.365 6.387 -11.673 495 HB2 LYS 84 HB2 LYS 84 76.080 5.679 -9.821 496 HB3 LYS 84 HB3 LYS 84 77.600 4.800 -9.981 497 HG2 LYS 84 HG2 LYS 84 77.358 7.693 -9.101 498 HG3 LYS 84 HG3 LYS 84 77.590 6.325 -8.014 499 HD2 LYS 84 HD2 LYS 84 79.696 5.771 -9.289 500 HD3 LYS 84 HD3 LYS 84 79.495 7.292 -10.162 501 HE2 LYS 84 HE2 LYS 84 79.464 7.267 -7.156 502 HE3 LYS 84 HE3 LYS 84 80.996 7.269 -8.029 503 HZ1 LYS 84 HZ1 LYS 84 78.948 9.343 -7.857 504 HZ2 LYS 84 HZ2 LYS 84 79.769 9.184 -9.335 505 HZ3 LYS 84 HZ3 LYS 84 80.637 9.489 -7.907 506 H ASN 85 H ASN 85 75.473 6.789 -13.222 507 HA ASN 85 HA ASN 85 74.271 5.568 -14.726 508 HB2 ASN 85 HB2 ASN 85 76.721 3.788 -14.758 509 HB3 ASN 85 HB3 ASN 85 75.458 3.854 -15.984 510 HD21 ASN 85 HD21 ASN 85 78.493 4.671 -15.908 511 HD22 ASN 85 HD22 ASN 85 78.479 6.212 -16.622 512 H VAL 86 H VAL 86 73.794 5.058 -11.981 513 HA VAL 86 HA VAL 86 73.292 2.167 -11.874 514 HB VAL 86 HB VAL 86 72.852 4.301 -9.769 515 HG11 VAL 86 HG11 VAL 86 72.650 2.391 -8.234 516 HG12 VAL 86 HG12 VAL 86 72.870 1.272 -9.580 517 HG13 VAL 86 HG13 VAL 86 71.429 2.287 -9.503 518 HG21 VAL 86 HG21 VAL 86 75.257 3.864 -10.482 519 HG22 VAL 86 HG22 VAL 86 75.036 2.207 -9.921 520 HG23 VAL 86 HG23 VAL 86 74.910 3.548 -8.782 521 H LYS 87 H LYS 87 71.236 1.300 -11.910 522 HA LYS 87 HA LYS 87 69.200 2.857 -13.196 523 HB2 LYS 87 HB2 LYS 87 69.505 0.398 -13.541 524 HB3 LYS 87 HB3 LYS 87 68.941 0.137 -11.890 525 HG2 LYS 87 HG2 LYS 87 66.819 1.307 -12.457 526 HG3 LYS 87 HG3 LYS 87 67.376 1.461 -14.124 527 HD2 LYS 87 HD2 LYS 87 67.596 -1.035 -14.222 528 HD3 LYS 87 HD3 LYS 87 66.867 -1.119 -12.618 529 HE2 LYS 87 HE2 LYS 87 65.008 -1.400 -14.008 530 HE3 LYS 87 HE3 LYS 87 64.970 0.335 -13.690 531 HZ1 LYS 87 HZ1 LYS 87 64.715 -0.263 -16.065 532 HZ2 LYS 87 HZ2 LYS 87 66.293 -0.893 -16.045 533 HZ3 LYS 87 HZ3 LYS 87 66.034 0.761 -15.762 534 H VAL 88 H VAL 88 67.441 3.859 -12.339 535 HA VAL 88 HA VAL 88 67.050 3.661 -9.405 536 HB VAL 88 HB VAL 88 66.786 6.162 -11.096 537 HG11 VAL 88 HG11 VAL 88 66.577 7.248 -8.847 538 HG12 VAL 88 HG12 VAL 88 66.515 5.643 -8.120 539 HG13 VAL 88 HG13 VAL 88 65.237 6.163 -9.218 540 HG21 VAL 88 HG21 VAL 88 68.958 5.089 -9.308 541 HG22 VAL 88 HG22 VAL 88 68.727 6.830 -9.466 542 HG23 VAL 88 HG23 VAL 88 69.104 5.858 -10.888 543 H VAL 89 H VAL 89 65.050 3.246 -8.757 544 HA VAL 89 HA VAL 89 62.855 3.405 -10.754 545 HB VAL 89 HB VAL 89 63.094 1.371 -8.527 546 HG11 VAL 89 HG11 VAL 89 61.319 1.425 -10.978 547 HG12 VAL 89 HG12 VAL 89 60.813 1.990 -9.386 548 HG13 VAL 89 HG13 VAL 89 61.234 0.294 -9.628 549 HG21 VAL 89 HG21 VAL 89 64.796 0.656 -9.951 550 HG22 VAL 89 HG22 VAL 89 64.000 1.290 -11.393 551 HG23 VAL 89 HG23 VAL 89 63.400 -0.184 -10.629 552 H GLY 90 H GLY 90 61.055 4.485 -10.121 553 HA2 GLY 90 HA2 GLY 90 60.911 5.450 -7.349 554 HA3 GLY 90 HA3 GLY 90 59.947 6.037 -8.704 555 H GLU 91 H GLU 91 59.509 4.591 -5.883 556 HA GLU 91 HA GLU 91 57.173 3.111 -6.827 557 HB2 GLU 91 HB2 GLU 91 59.324 1.842 -5.115 558 HB3 GLU 91 HB3 GLU 91 57.739 1.134 -5.436 559 HG2 GLU 91 HG2 GLU 91 58.357 1.473 -7.945 560 HG3 GLU 91 HG3 GLU 91 60.012 1.610 -7.353 561 HA PRO 92 HA PRO 92 56.211 5.655 -3.073 562 HB2 PRO 92 HB2 PRO 92 53.482 5.171 -4.177 563 HB3 PRO 92 HB3 PRO 92 54.200 6.671 -3.557 564 HG2 PRO 92 HG2 PRO 92 53.858 6.276 -6.162 565 HG3 PRO 92 HG3 PRO 92 55.273 7.137 -5.530 566 HD2 PRO 92 HD2 PRO 92 55.097 4.360 -6.616 567 HD3 PRO 92 HD3 PRO 92 56.438 5.525 -6.700 568 HA PRO 93 HA PRO 93 55.451 2.184 -0.463 569 HB2 PRO 93 HB2 PRO 93 53.398 3.837 0.956 570 HB3 PRO 93 HB3 PRO 93 54.767 2.922 1.622 571 HG2 PRO 93 HG2 PRO 93 54.908 5.540 1.434 572 HG3 PRO 93 HG3 PRO 93 56.313 4.538 1.017 573 HD2 PRO 93 HD2 PRO 93 54.403 5.945 -0.818 574 HD3 PRO 93 HD3 PRO 93 56.159 5.712 -0.978 575 H GLU 94 H GLU 94 54.097 0.429 -0.316 576 HA GLU 94 HA GLU 94 51.554 0.605 -1.796 577 HB2 GLU 94 HB2 GLU 94 53.294 -1.037 -2.545 578 HB3 GLU 94 HB3 GLU 94 53.111 -1.865 -0.999 579 HG2 GLU 94 HG2 GLU 94 50.686 -2.158 -1.479 580 HG3 GLU 94 HG3 GLU 94 50.928 -1.414 -3.052 581 H GLU 95 H GLU 95 49.640 -0.205 -0.924 582 HA GLU 95 HA GLU 95 49.667 -0.614 2.013 583 HB2 GLU 95 HB2 GLU 95 47.557 0.671 0.263 584 HB3 GLU 95 HB3 GLU 95 47.385 0.358 1.991 585 HG2 GLU 95 HG2 GLU 95 49.105 1.886 2.556 586 HG3 GLU 95 HG3 GLU 95 49.704 1.951 0.898 587 HA PRO 96 HA PRO 96 48.107 -4.533 0.085 588 HB2 PRO 96 HB2 PRO 96 48.815 -6.129 2.233 589 HB3 PRO 96 HB3 PRO 96 49.857 -5.798 0.837 590 HG2 PRO 96 HG2 PRO 96 49.877 -4.569 3.540 591 HG3 PRO 96 HG3 PRO 96 51.232 -5.005 2.482 592 HD2 PRO 96 HD2 PRO 96 50.392 -2.442 2.745 593 HD3 PRO 96 HD3 PRO 96 51.057 -3.065 1.218 594 H LEU 97 H LEU 97 46.046 -5.197 0.308 595 HA LEU 97 HA LEU 97 44.374 -4.162 2.377 596 HB2 LEU 97 HB2 LEU 97 43.811 -6.344 0.355 597 HB3 LEU 97 HB3 LEU 97 42.606 -5.488 1.315 598 HG LEU 97 HG LEU 97 44.502 -4.163 -0.647 599 HD11 LEU 97 HD11 LEU 97 42.650 -5.721 -1.561 600 HD12 LEU 97 HD12 LEU 97 42.712 -4.075 -2.192 601 HD13 LEU 97 HD13 LEU 97 41.520 -4.507 -0.964 602 HD21 LEU 97 HD21 LEU 97 43.902 -2.527 0.943 603 HD22 LEU 97 HD22 LEU 97 42.282 -3.193 1.150 604 HD23 LEU 97 HD23 LEU 97 42.694 -2.315 -0.324 605 H GLU 98 H GLU 98 45.871 -7.312 1.770 606 HA GLU 98 HA GLU 98 44.567 -8.461 4.119 607 HB2 GLU 98 HB2 GLU 98 44.855 -9.769 2.000 608 HB3 GLU 98 HB3 GLU 98 46.598 -9.724 2.264 609 HG2 GLU 98 HG2 GLU 98 46.259 -10.803 4.482 610 HG3 GLU 98 HG3 GLU 98 44.539 -10.920 4.139 611 H HIS 99 H HIS 99 45.475 -8.539 6.074 612 HA HIS 99 HA HIS 99 47.873 -7.214 6.693 613 HB2 HIS 99 HB2 HIS 99 46.341 -9.289 8.261 614 HB3 HIS 99 HB3 HIS 99 47.649 -8.319 8.911 615 HD1 HIS 99 HD1 HIS 99 44.055 -8.167 7.899 616 HD2 HIS 99 HD2 HIS 99 46.960 -5.582 9.400 617 HE1 HIS 99 HE1 HIS 99 42.836 -6.078 8.645 618 H HIS 100 H HIS 100 47.177 -10.650 6.190 619 HA HIS 100 HA HIS 100 49.637 -11.696 7.034 620 HB2 HIS 100 HB2 HIS 100 47.747 -12.684 4.895 621 HB3 HIS 100 HB3 HIS 100 49.084 -13.613 5.547 622 HD1 HIS 100 HD1 HIS 100 45.636 -12.411 6.334 623 HD2 HIS 100 HD2 HIS 100 48.651 -14.599 8.206 624 HE1 HIS 100 HE1 HIS 100 44.583 -13.481 8.371 625 H HIS 101 H HIS 101 51.559 -12.124 6.004 626 HA HIS 101 HA HIS 101 52.115 -10.525 3.622 627 HB2 HIS 101 HB2 HIS 101 53.935 -12.110 5.434 628 HB3 HIS 101 HB3 HIS 101 54.470 -11.135 4.080 629 HD1 HIS 101 HD1 HIS 101 53.222 -10.916 7.592 630 HD2 HIS 101 HD2 HIS 101 54.351 -8.306 4.542 631 HE1 HIS 101 HE1 HIS 101 53.457 -8.631 8.655 632 H HIS 102 H HIS 102 51.893 -13.907 4.590 633 HA HIS 102 HA HIS 102 52.611 -14.711 1.829 634 HB2 HIS 102 HB2 HIS 102 52.787 -16.258 4.416 635 HB3 HIS 102 HB3 HIS 102 53.099 -16.932 2.827 636 HD1 HIS 102 HD1 HIS 102 54.568 -14.733 5.465 637 HD2 HIS 102 HD2 HIS 102 55.582 -16.100 1.660 638 HE1 HIS 102 HE1 HIS 102 57.015 -14.177 5.134 639 H HIS 103 H HIS 103 51.048 -15.544 0.615 640 HA HIS 103 HA HIS 103 48.377 -15.804 1.430 641 HB2 HIS 103 HB2 HIS 103 49.147 -15.566 -0.915 642 HB3 HIS 103 HB3 HIS 103 49.753 -17.210 -0.859 643 HD1 HIS 103 HD1 HIS 103 46.414 -15.488 -0.139 644 HD2 HIS 103 HD2 HIS 103 47.909 -18.942 -1.930 645 HE1 HIS 103 HE1 HIS 103 44.414 -16.746 -1.046 646 H HIS 104 H HIS 104 51.013 -18.150 1.424 647 HA HIS 104 HA HIS 104 49.253 -20.032 2.870 648 HB2 HIS 104 HB2 HIS 104 51.075 -20.567 0.549 649 HB3 HIS 104 HB3 HIS 104 50.752 -21.823 1.729 650 HD1 HIS 104 HD1 HIS 104 49.371 -20.191 -1.252 651 HD2 HIS 104 HD2 HIS 104 47.897 -22.557 1.848 652 HE1 HIS 104 HE1 HIS 104 47.113 -21.045 -2.014 Start of MODEL 16 1 H1 MET 23 HT1 MET 23 78.094 -15.320 14.645 2 H2 MET 23 HT2 MET 23 78.102 -13.987 13.591 3 H3 MET 23 HT3 MET 23 77.536 -15.497 13.052 4 HA MET 23 HA MET 23 75.900 -15.170 15.087 5 HB2 MET 23 HB2 MET 23 76.628 -12.394 14.110 6 HB3 MET 23 HB3 MET 23 75.201 -12.762 15.081 7 HG2 MET 23 HG2 MET 23 76.684 -13.715 16.842 8 HG3 MET 23 HG3 MET 23 78.086 -13.231 15.888 9 HE1 MET 23 HE1 MET 23 77.993 -10.834 18.938 10 HE2 MET 23 HE2 MET 23 79.146 -11.535 17.805 11 HE3 MET 23 HE3 MET 23 77.976 -12.572 18.617 12 H ALA 24 H ALA 24 73.861 -15.437 14.293 13 HA ALA 24 HA ALA 24 73.551 -15.225 11.368 14 HB1 ALA 24 HB1 ALA 24 72.013 -16.970 11.483 15 HB2 ALA 24 HB2 ALA 24 71.624 -16.650 13.173 16 HB3 ALA 24 HB3 ALA 24 73.159 -17.408 12.751 17 H SER 25 H SER 25 71.852 -14.117 10.446 18 HA SER 25 HA SER 25 70.268 -12.401 12.275 19 HB2 SER 25 HB2 SER 25 70.204 -10.757 10.471 20 HB3 SER 25 HB3 SER 25 71.872 -11.165 10.856 21 HG SER 25 HG SER 25 72.023 -11.966 8.932 22 H GLU 26 H GLU 26 68.101 -12.406 12.101 23 HA GLU 26 HA GLU 26 66.777 -14.461 10.651 24 HB2 GLU 26 HB2 GLU 26 65.948 -13.442 12.779 25 HB3 GLU 26 HB3 GLU 26 65.552 -11.980 11.874 26 HG2 GLU 26 HG2 GLU 26 64.105 -13.341 10.372 27 HG3 GLU 26 HG3 GLU 26 64.446 -14.754 11.359 28 H SER 27 H SER 27 67.372 -11.038 9.991 29 HA SER 27 HA SER 27 65.382 -10.630 8.063 30 HB2 SER 27 HB2 SER 27 68.123 -9.362 8.255 31 HB3 SER 27 HB3 SER 27 66.784 -8.754 7.287 32 HG SER 27 HG SER 27 66.932 -9.009 10.057 33 H ASN 28 H ASN 28 65.102 -11.368 6.068 34 HA ASN 28 HA ASN 28 66.905 -13.012 4.658 35 HB2 ASN 28 HB2 ASN 28 64.646 -11.292 3.612 36 HB3 ASN 28 HB3 ASN 28 65.446 -12.581 2.713 37 HD21 ASN 28 HD21 ASN 28 62.580 -12.259 3.911 38 HD22 ASN 28 HD22 ASN 28 62.347 -13.720 4.742 39 H GLY 29 H GLY 29 66.546 -9.520 4.778 40 HA2 GLY 29 HA2 GLY 29 68.671 -9.225 2.738 41 HA3 GLY 29 HA3 GLY 29 67.442 -8.011 3.081 42 H ARG 30 H ARG 30 70.565 -8.310 3.331 43 HA ARG 30 HA ARG 30 71.236 -8.053 6.072 44 HB2 ARG 30 HB2 ARG 30 72.632 -6.947 3.620 45 HB3 ARG 30 HB3 ARG 30 73.335 -7.022 5.237 46 HG2 ARG 30 HG2 ARG 30 73.007 -9.492 5.231 47 HG3 ARG 30 HG3 ARG 30 72.416 -9.383 3.572 48 HD2 ARG 30 HD2 ARG 30 74.598 -8.281 2.954 49 HD3 ARG 30 HD3 ARG 30 75.175 -8.649 4.576 50 HE ARG 30 HE ARG 30 74.152 -10.983 3.284 51 HH11 ARG 30 HH11 ARG 30 76.979 -8.905 3.382 52 HH12 ARG 30 HH12 ARG 30 78.044 -10.161 2.845 53 HH21 ARG 30 HH21 ARG 30 75.572 -12.559 2.596 54 HH22 ARG 30 HH22 ARG 30 77.255 -12.203 2.405 55 H LYS 31 H LYS 31 71.459 -6.244 7.406 56 HA LYS 31 HA LYS 31 69.973 -3.870 6.601 57 HB2 LYS 31 HB2 LYS 31 69.825 -4.821 8.923 58 HB3 LYS 31 HB3 LYS 31 71.503 -4.334 9.165 59 HG2 LYS 31 HG2 LYS 31 70.878 -1.990 8.628 60 HG3 LYS 31 HG3 LYS 31 69.193 -2.494 8.485 61 HD2 LYS 31 HD2 LYS 31 69.312 -3.346 10.844 62 HD3 LYS 31 HD3 LYS 31 70.925 -2.643 10.967 63 HE2 LYS 31 HE2 LYS 31 69.546 -0.952 11.844 64 HE3 LYS 31 HE3 LYS 31 69.783 -0.446 10.171 65 HZ1 LYS 31 HZ1 LYS 31 67.649 -2.052 9.962 66 HZ2 LYS 31 HZ2 LYS 31 67.561 -0.365 10.144 67 HZ3 LYS 31 HZ3 LYS 31 67.389 -1.377 11.497 68 H VAL 32 H VAL 32 70.830 -1.924 6.074 69 HA VAL 32 HA VAL 32 73.760 -1.585 6.276 70 HB VAL 32 HB VAL 32 72.122 -1.017 3.795 71 HG11 VAL 32 HG11 VAL 32 74.058 0.534 4.226 72 HG12 VAL 32 HG12 VAL 32 74.245 -0.439 2.767 73 HG13 VAL 32 HG13 VAL 32 75.121 -0.873 4.234 74 HG21 VAL 32 HG21 VAL 32 72.418 -3.378 3.940 75 HG22 VAL 32 HG22 VAL 32 74.062 -3.211 4.552 76 HG23 VAL 32 HG23 VAL 32 73.705 -2.819 2.871 77 H ASP 33 H ASP 33 74.364 0.278 7.054 78 HA ASP 33 HA ASP 33 72.526 2.431 7.577 79 HB2 ASP 33 HB2 ASP 33 74.427 1.829 9.087 80 HB3 ASP 33 HB3 ASP 33 75.540 2.398 7.845 81 H TYR 34 H TYR 34 72.604 4.535 6.692 82 HA TYR 34 HA TYR 34 72.827 4.731 3.929 83 HB2 TYR 34 HB2 TYR 34 71.537 6.319 5.154 84 HB3 TYR 34 HB3 TYR 34 72.916 6.809 6.110 85 HD1 TYR 34 HD1 TYR 34 72.385 6.472 2.394 86 HD2 TYR 34 HD2 TYR 34 73.376 9.032 5.696 87 HE1 TYR 34 HE1 TYR 34 72.853 8.330 0.817 88 HE2 TYR 34 HE2 TYR 34 73.827 10.892 4.122 89 HH TYR 34 HH TYR 34 72.883 10.992 1.064 90 H SER 35 H SER 35 75.282 5.414 6.405 91 HA SER 35 HA SER 35 77.175 6.679 4.762 92 HB2 SER 35 HB2 SER 35 77.282 6.511 7.263 93 HB3 SER 35 HB3 SER 35 77.761 4.826 7.080 94 HG SER 35 HG SER 35 79.552 5.563 5.980 95 H THR 36 H THR 36 76.637 3.243 5.464 96 HA THR 36 HA THR 36 78.935 2.295 4.070 97 HB THR 36 HB THR 36 76.351 0.815 4.618 98 HG1 THR 36 HG1 THR 36 78.652 0.843 6.167 99 HG21 THR 36 HG21 THR 36 77.730 -0.383 3.053 100 HG22 THR 36 HG22 THR 36 77.942 -1.149 4.627 101 HG23 THR 36 HG23 THR 36 79.181 -0.062 4.001 102 H PHE 37 H PHE 37 75.557 2.803 3.122 103 HA PHE 37 HA PHE 37 75.670 1.659 0.579 104 HB2 PHE 37 HB2 PHE 37 73.584 2.372 1.609 105 HB3 PHE 37 HB3 PHE 37 74.088 4.048 1.530 106 HD1 PHE 37 HD2 PHE 37 72.847 1.158 -0.389 107 HD2 PHE 37 HD1 PHE 37 74.063 5.273 -0.577 108 HE1 PHE 37 HE2 PHE 37 71.835 1.357 -2.645 109 HE2 PHE 37 HE1 PHE 37 73.053 5.471 -2.832 110 HZ PHE 37 HZ PHE 37 71.938 3.512 -3.866 111 H LEU 38 H LEU 38 76.527 4.964 1.608 112 HA LEU 38 HA LEU 38 76.943 6.034 -0.954 113 HB2 LEU 38 HB2 LEU 38 78.324 6.730 1.649 114 HB3 LEU 38 HB3 LEU 38 78.341 7.723 0.191 115 HG LEU 38 HG LEU 38 75.792 6.851 1.569 116 HD11 LEU 38 HD11 LEU 38 77.489 8.434 2.848 117 HD12 LEU 38 HD12 LEU 38 75.766 8.797 2.828 118 HD13 LEU 38 HD13 LEU 38 76.857 9.650 1.737 119 HD21 LEU 38 HD21 LEU 38 75.063 8.993 0.235 120 HD22 LEU 38 HD22 LEU 38 75.244 7.462 -0.621 121 HD23 LEU 38 HD23 LEU 38 76.520 8.676 -0.706 122 H GLN 39 H GLN 39 79.169 4.347 1.237 123 HA GLN 39 HA GLN 39 81.494 4.678 -0.331 124 HB2 GLN 39 HB2 GLN 39 81.471 3.862 2.031 125 HB3 GLN 39 HB3 GLN 39 80.829 2.324 1.453 126 HG2 GLN 39 HG2 GLN 39 82.808 2.007 0.037 127 HG3 GLN 39 HG3 GLN 39 83.447 3.561 0.557 128 HE21 GLN 39 HE21 GLN 39 85.089 1.418 1.026 129 HE22 GLN 39 HE22 GLN 39 85.090 0.999 2.671 130 H GLU 40 H GLU 40 79.033 2.121 -0.331 131 HA GLU 40 HA GLU 40 80.291 0.449 -2.209 132 HB2 GLU 40 HB2 GLU 40 77.352 0.801 -1.592 133 HB3 GLU 40 HB3 GLU 40 78.028 -0.518 -2.550 134 HG2 GLU 40 HG2 GLU 40 79.479 -1.133 -0.620 135 HG3 GLU 40 HG3 GLU 40 78.704 0.124 0.334 136 H VAL 41 H VAL 41 78.000 3.128 -2.649 137 HA VAL 41 HA VAL 41 77.649 2.913 -5.412 138 HB VAL 41 HB VAL 41 77.730 5.411 -3.699 139 HG11 VAL 41 HG11 VAL 41 77.914 5.928 -6.100 140 HG12 VAL 41 HG12 VAL 41 76.330 6.398 -5.482 141 HG13 VAL 41 HG13 VAL 41 76.504 4.921 -6.431 142 HG21 VAL 41 HG21 VAL 41 75.449 5.076 -3.291 143 HG22 VAL 41 HG22 VAL 41 76.075 3.431 -3.212 144 HG23 VAL 41 HG23 VAL 41 75.260 3.993 -4.669 145 H ASN 42 H ASN 42 80.108 4.730 -3.571 146 HA ASN 42 HA ASN 42 81.497 5.816 -5.747 147 HB2 ASN 42 HB2 ASN 42 82.532 4.961 -3.036 148 HB3 ASN 42 HB3 ASN 42 83.410 5.980 -4.176 149 HD21 ASN 42 HD21 ASN 42 81.751 6.334 -1.409 150 HD22 ASN 42 HD22 ASN 42 80.978 7.818 -1.691 151 H ASN 43 H ASN 43 81.656 2.615 -4.309 152 HA ASN 43 HA ASN 43 83.974 1.842 -5.885 153 HB2 ASN 43 HB2 ASN 43 82.185 0.260 -4.034 154 HB3 ASN 43 HB3 ASN 43 83.631 -0.375 -4.815 155 HD21 ASN 43 HD21 ASN 43 83.173 0.014 -1.886 156 HD22 ASN 43 HD22 ASN 43 84.397 1.070 -1.367 157 H ASP 44 H ASP 44 80.967 2.347 -6.944 158 HA ASP 44 HA ASP 44 79.635 1.501 -8.600 159 HB2 ASP 44 HB2 ASP 44 81.775 2.022 -9.795 160 HB3 ASP 44 HB3 ASP 44 82.236 0.333 -9.601 161 H GLN 45 H GLN 45 79.876 -0.197 -6.238 162 HA GLN 45 HA GLN 45 79.770 -2.902 -7.336 163 HB2 GLN 45 HB2 GLN 45 79.429 -1.905 -4.499 164 HB3 GLN 45 HB3 GLN 45 79.420 -3.597 -4.987 165 HG2 GLN 45 HG2 GLN 45 81.712 -1.666 -5.431 166 HG3 GLN 45 HG3 GLN 45 81.649 -2.896 -4.172 167 HE21 GLN 45 HE21 GLN 45 82.994 -2.362 -7.138 168 HE22 GLN 45 HE22 GLN 45 83.085 -3.958 -7.706 169 H VAL 46 H VAL 46 77.546 -0.357 -6.501 170 HA VAL 46 HA VAL 46 75.284 -2.134 -6.132 171 HB VAL 46 HB VAL 46 75.351 0.878 -6.482 172 HG11 VAL 46 HG11 VAL 46 73.131 0.688 -5.279 173 HG12 VAL 46 HG12 VAL 46 73.221 -1.056 -5.529 174 HG13 VAL 46 HG13 VAL 46 73.134 0.031 -6.915 175 HG21 VAL 46 HG21 VAL 46 75.557 -0.927 -4.070 176 HG22 VAL 46 HG22 VAL 46 74.940 0.720 -3.929 177 HG23 VAL 46 HG23 VAL 46 76.583 0.439 -4.509 178 H ARG 47 H ARG 47 73.734 -2.648 -7.613 179 HA ARG 47 HA ARG 47 74.247 -1.824 -10.400 180 HB2 ARG 47 HB2 ARG 47 74.272 -4.252 -9.887 181 HB3 ARG 47 HB3 ARG 47 72.607 -4.132 -9.325 182 HG2 ARG 47 HG2 ARG 47 71.951 -3.283 -11.583 183 HG3 ARG 47 HG3 ARG 47 73.607 -3.557 -12.129 184 HD2 ARG 47 HD2 ARG 47 71.770 -5.687 -10.997 185 HD3 ARG 47 HD3 ARG 47 72.123 -5.458 -12.708 186 HE ARG 47 HE ARG 47 74.533 -5.746 -11.224 187 HH11 ARG 47 HH11 ARG 47 71.852 -7.655 -12.446 188 HH12 ARG 47 HH12 ARG 47 72.795 -9.104 -12.537 189 HH21 ARG 47 HH21 ARG 47 75.698 -7.644 -11.365 190 HH22 ARG 47 HH22 ARG 47 74.945 -9.097 -11.933 191 H GLU 48 H GLU 48 71.618 -2.326 -8.058 192 HA GLU 48 HA GLU 48 69.967 -0.382 -9.550 193 HB2 GLU 48 HB2 GLU 48 69.321 -2.712 -10.166 194 HB3 GLU 48 HB3 GLU 48 68.968 -3.024 -8.466 195 HG2 GLU 48 HG2 GLU 48 67.336 -1.154 -8.487 196 HG3 GLU 48 HG3 GLU 48 67.643 -0.923 -10.204 197 H ALA 49 H ALA 49 68.699 0.936 -8.312 198 HA ALA 49 HA ALA 49 68.410 0.317 -5.446 199 HB1 ALA 49 HB1 ALA 49 69.510 2.844 -6.658 200 HB2 ALA 49 HB2 ALA 49 70.167 1.876 -5.338 201 HB3 ALA 49 HB3 ALA 49 68.724 2.855 -5.080 202 H ARG 50 H ARG 50 66.315 0.168 -5.086 203 HA ARG 50 HA ARG 50 64.400 1.788 -6.604 204 HB2 ARG 50 HB2 ARG 50 64.060 -0.472 -4.618 205 HB3 ARG 50 HB3 ARG 50 62.717 0.383 -5.371 206 HG2 ARG 50 HG2 ARG 50 63.622 -0.256 -7.612 207 HG3 ARG 50 HG3 ARG 50 64.878 -1.193 -6.803 208 HD2 ARG 50 HD2 ARG 50 63.051 -2.483 -5.637 209 HD3 ARG 50 HD3 ARG 50 61.889 -1.650 -6.665 210 HE ARG 50 HE ARG 50 64.051 -3.013 -8.062 211 HH11 ARG 50 HH11 ARG 50 60.743 -3.234 -6.906 212 HH12 ARG 50 HH12 ARG 50 60.343 -4.519 -7.997 213 HH21 ARG 50 HH21 ARG 50 63.476 -4.667 -9.442 214 HH22 ARG 50 HH22 ARG 50 61.872 -5.319 -9.414 215 H ILE 51 H ILE 51 63.296 3.468 -5.723 216 HA ILE 51 HA ILE 51 63.843 4.141 -2.896 217 HB ILE 51 HB ILE 51 63.145 5.957 -5.219 218 HG12 ILE 51 HG12 ILE 51 65.761 5.671 -3.718 219 HG13 ILE 51 HG13 ILE 51 65.436 4.889 -5.264 220 HG21 ILE 51 HG21 ILE 51 63.909 6.556 -2.344 221 HG22 ILE 51 HG22 ILE 51 62.346 6.868 -3.100 222 HG23 ILE 51 HG23 ILE 51 63.771 7.767 -3.619 223 HD11 ILE 51 HD11 ILE 51 65.662 7.832 -4.662 224 HD12 ILE 51 HD12 ILE 51 64.797 7.265 -6.090 225 HD13 ILE 51 HD13 ILE 51 66.508 6.889 -5.889 226 H ASN 52 H ASN 52 62.187 4.002 -1.547 227 HA ASN 52 HA ASN 52 59.512 4.813 -2.439 228 HB2 ASN 52 HB2 ASN 52 59.753 2.272 -2.492 229 HB3 ASN 52 HB3 ASN 52 59.932 2.351 -0.739 230 HD21 ASN 52 HD21 ASN 52 57.991 2.113 0.363 231 HD22 ASN 52 HD22 ASN 52 56.465 2.533 -0.248 232 H GLY 53 H GLY 53 59.379 6.632 -1.220 233 HA2 GLY 53 HA2 GLY 53 59.210 7.968 0.646 234 HA3 GLY 53 HA3 GLY 53 58.949 6.487 1.562 235 H ARG 54 H ARG 54 60.296 6.502 3.247 236 HA ARG 54 HA ARG 54 62.899 7.777 3.112 237 HB2 ARG 54 HB2 ARG 54 61.323 7.817 5.120 238 HB3 ARG 54 HB3 ARG 54 61.815 6.147 5.402 239 HG2 ARG 54 HG2 ARG 54 64.156 6.828 5.583 240 HG3 ARG 54 HG3 ARG 54 63.721 8.497 5.209 241 HD2 ARG 54 HD2 ARG 54 63.937 8.333 7.600 242 HD3 ARG 54 HD3 ARG 54 62.219 8.469 7.234 243 HE ARG 54 HE ARG 54 63.273 5.759 7.487 244 HH11 ARG 54 HH11 ARG 54 61.586 8.398 9.074 245 HH12 ARG 54 HH12 ARG 54 60.907 7.365 10.288 246 HH21 ARG 54 HH21 ARG 54 62.371 4.480 9.076 247 HH22 ARG 54 HH22 ARG 54 61.347 5.176 10.289 248 H GLU 55 H GLU 55 61.780 4.620 2.395 249 HA GLU 55 HA GLU 55 64.323 3.387 3.239 250 HB2 GLU 55 HB2 GLU 55 61.695 2.133 2.418 251 HB3 GLU 55 HB3 GLU 55 63.137 1.245 2.911 252 HG2 GLU 55 HG2 GLU 55 63.086 2.437 5.095 253 HG3 GLU 55 HG3 GLU 55 61.595 3.231 4.605 254 H ILE 56 H ILE 56 65.704 2.496 1.790 255 HA ILE 56 HA ILE 56 64.893 2.427 -1.063 256 HB ILE 56 HB ILE 56 67.683 2.838 0.057 257 HG12 ILE 56 HG12 ILE 56 65.886 4.817 -1.376 258 HG13 ILE 56 HG13 ILE 56 66.122 4.789 0.372 259 HG21 ILE 56 HG21 ILE 56 66.700 3.154 -2.789 260 HG22 ILE 56 HG22 ILE 56 67.417 1.657 -2.193 261 HG23 ILE 56 HG23 ILE 56 68.367 3.141 -2.218 262 HD11 ILE 56 HD11 ILE 56 68.329 5.139 -1.684 263 HD12 ILE 56 HD12 ILE 56 68.537 5.143 0.067 264 HD13 ILE 56 HD13 ILE 56 67.625 6.431 -0.716 265 H ASN 57 H ASN 57 64.951 0.445 -1.976 266 HA ASN 57 HA ASN 57 66.306 -1.733 -0.493 267 HB2 ASN 57 HB2 ASN 57 64.047 -1.717 -2.498 268 HB3 ASN 57 HB3 ASN 57 64.932 -3.192 -2.103 269 HD21 ASN 57 HD21 ASN 57 62.353 -1.163 -1.092 270 HD22 ASN 57 HD22 ASN 57 62.117 -1.851 0.442 271 H VAL 58 H VAL 58 68.053 -2.743 -1.418 272 HA VAL 58 HA VAL 58 68.909 -1.675 -4.050 273 HB VAL 58 HB VAL 58 70.638 -2.006 -1.595 274 HG11 VAL 58 HG11 VAL 58 72.072 -2.243 -3.436 275 HG12 VAL 58 HG12 VAL 58 72.146 -0.507 -3.130 276 HG13 VAL 58 HG13 VAL 58 71.133 -1.132 -4.431 277 HG21 VAL 58 HG21 VAL 58 69.792 0.588 -2.908 278 HG22 VAL 58 HG22 VAL 58 70.640 0.377 -1.376 279 HG23 VAL 58 HG23 VAL 58 68.949 -0.090 -1.515 280 H THR 59 H THR 59 69.910 -3.041 -5.389 281 HA THR 59 HA THR 59 70.583 -5.756 -4.405 282 HB THR 59 HB THR 59 69.752 -4.939 -7.203 283 HG1 THR 59 HG1 THR 59 67.849 -5.929 -6.625 284 HG21 THR 59 HG21 THR 59 71.262 -7.085 -6.572 285 HG22 THR 59 HG22 THR 59 70.040 -7.123 -7.840 286 HG23 THR 59 HG23 THR 59 69.666 -7.752 -6.235 287 H LYS 60 H LYS 60 72.686 -6.249 -4.508 288 HA LYS 60 HA LYS 60 74.554 -4.519 -5.888 289 HB2 LYS 60 HB2 LYS 60 74.945 -7.051 -4.284 290 HB3 LYS 60 HB3 LYS 60 76.257 -6.088 -4.960 291 HG2 LYS 60 HG2 LYS 60 75.419 -4.116 -3.682 292 HG3 LYS 60 HG3 LYS 60 74.204 -5.156 -2.934 293 HD2 LYS 60 HD2 LYS 60 76.035 -6.627 -2.089 294 HD3 LYS 60 HD3 LYS 60 77.213 -5.487 -2.742 295 HE2 LYS 60 HE2 LYS 60 75.906 -3.711 -1.343 296 HE3 LYS 60 HE3 LYS 60 75.291 -5.108 -0.459 297 HZ1 LYS 60 HZ1 LYS 60 77.465 -3.973 0.305 298 HZ2 LYS 60 HZ2 LYS 60 78.178 -4.848 -0.964 299 HZ3 LYS 60 HZ3 LYS 60 77.376 -5.667 0.290 300 H LYS 61 H LYS 61 76.100 -5.292 -7.458 301 HA LYS 61 HA LYS 61 75.038 -6.733 -9.584 302 HB2 LYS 61 HB2 LYS 61 77.254 -6.754 -10.524 303 HB3 LYS 61 HB3 LYS 61 77.005 -5.216 -9.703 304 HG2 LYS 61 HG2 LYS 61 78.207 -6.139 -7.710 305 HG3 LYS 61 HG3 LYS 61 78.545 -7.601 -8.636 306 HD2 LYS 61 HD2 LYS 61 79.600 -6.084 -10.397 307 HD3 LYS 61 HD3 LYS 61 79.509 -4.791 -9.200 308 HE2 LYS 61 HE2 LYS 61 80.730 -6.391 -7.609 309 HE3 LYS 61 HE3 LYS 61 81.070 -7.372 -9.035 310 HZ1 LYS 61 HZ1 LYS 61 81.693 -4.481 -8.932 311 HZ2 LYS 61 HZ2 LYS 61 82.287 -5.650 -10.014 312 HZ3 LYS 61 HZ3 LYS 61 82.793 -5.654 -8.392 313 H ASP 62 H ASP 62 76.510 -7.974 -6.677 314 HA ASP 62 HA ASP 62 77.018 -10.593 -7.846 315 HB2 ASP 62 HB2 ASP 62 78.477 -9.405 -6.101 316 HB3 ASP 62 HB3 ASP 62 77.249 -9.885 -4.933 317 H SER 63 H SER 63 74.169 -9.394 -7.288 318 HA SER 63 HA SER 63 72.128 -10.371 -6.988 319 HB2 SER 63 HB2 SER 63 73.300 -12.458 -7.863 320 HB3 SER 63 HB3 SER 63 73.470 -12.939 -6.178 321 HG SER 63 HG SER 63 71.513 -13.621 -6.500 322 H ASN 64 H ASN 64 74.374 -9.971 -4.506 323 HA ASN 64 HA ASN 64 72.814 -10.964 -2.319 324 HB2 ASN 64 HB2 ASN 64 74.982 -8.851 -2.411 325 HB3 ASN 64 HB3 ASN 64 74.320 -9.560 -0.939 326 HD21 ASN 64 HD21 ASN 64 77.123 -9.778 -1.885 327 HD22 ASN 64 HD22 ASN 64 77.419 -11.435 -2.103 328 H ARG 65 H ARG 65 71.194 -9.961 -1.181 329 HA ARG 65 HA ARG 65 70.340 -7.300 -2.177 330 HB2 ARG 65 HB2 ARG 65 68.717 -9.551 -0.974 331 HB3 ARG 65 HB3 ARG 65 68.075 -7.976 -1.440 332 HG2 ARG 65 HG2 ARG 65 68.877 -8.376 -3.768 333 HG3 ARG 65 HG3 ARG 65 69.394 -9.992 -3.280 334 HD2 ARG 65 HD2 ARG 65 67.028 -10.441 -2.541 335 HD3 ARG 65 HD3 ARG 65 66.570 -8.901 -3.261 336 HE ARG 65 HE ARG 65 67.969 -10.432 -5.176 337 HH11 ARG 65 HH11 ARG 65 64.873 -10.434 -3.520 338 HH12 ARG 65 HH12 ARG 65 64.067 -11.250 -4.819 339 HH21 ARG 65 HH21 ARG 65 66.877 -11.480 -6.814 340 HH22 ARG 65 HH22 ARG 65 65.189 -11.835 -6.659 341 H TYR 66 H TYR 66 69.815 -5.697 -0.762 342 HA TYR 66 HA TYR 66 69.671 -6.239 2.088 343 HB2 TYR 66 HB2 TYR 66 71.441 -4.790 2.741 344 HB3 TYR 66 HB3 TYR 66 72.089 -5.960 1.615 345 HD1 TYR 66 HD1 TYR 66 71.042 -2.426 2.041 346 HD2 TYR 66 HD2 TYR 66 73.059 -5.273 -0.466 347 HE1 TYR 66 HE1 TYR 66 71.996 -0.571 0.703 348 HE2 TYR 66 HE2 TYR 66 74.008 -3.416 -1.808 349 HH TYR 66 HH TYR 66 74.490 -0.877 -1.296 350 H THR 67 H THR 67 69.132 -4.262 3.331 351 HA THR 67 HA THR 67 67.653 -2.284 1.698 352 HB THR 67 HB THR 67 66.744 -3.400 4.362 353 HG1 THR 67 HG1 THR 67 66.471 -4.964 2.878 354 HG21 THR 67 HG21 THR 67 65.034 -1.964 2.359 355 HG22 THR 67 HG22 THR 67 66.092 -1.024 3.413 356 HG23 THR 67 HG23 THR 67 64.854 -2.069 4.111 357 H THR 68 H THR 68 67.911 -0.188 2.280 358 HA THR 68 HA THR 68 69.459 0.375 4.749 359 HB THR 68 HB THR 68 70.914 0.580 2.785 360 HG1 THR 68 HG1 THR 68 70.131 2.984 3.941 361 HG21 THR 68 HG21 THR 68 68.891 2.633 1.842 362 HG22 THR 68 HG22 THR 68 69.160 1.051 1.111 363 HG23 THR 68 HG23 THR 68 70.433 2.271 1.063 364 H TYR 69 H TYR 69 68.872 2.155 5.922 365 HA TYR 69 HA TYR 69 66.363 3.484 5.087 366 HB2 TYR 69 HB2 TYR 69 67.642 3.290 7.818 367 HB3 TYR 69 HB3 TYR 69 66.107 4.055 7.455 368 HD1 TYR 69 HD2 TYR 69 64.120 2.715 6.952 369 HD2 TYR 69 HD1 TYR 69 67.894 0.868 7.844 370 HE1 TYR 69 HE2 TYR 69 62.976 0.540 7.286 371 HE2 TYR 69 HE1 TYR 69 66.750 -1.307 8.177 372 HH TYR 69 HH TYR 69 63.890 -1.781 8.797 373 H ILE 70 H ILE 70 66.280 5.687 4.842 374 HA ILE 70 HA ILE 70 68.844 7.087 4.908 375 HB ILE 70 HB ILE 70 66.210 8.183 3.925 376 HG12 ILE 70 HG12 ILE 70 68.362 6.872 2.237 377 HG13 ILE 70 HG13 ILE 70 66.895 6.031 2.735 378 HG21 ILE 70 HG21 ILE 70 67.514 9.845 2.900 379 HG22 ILE 70 HG22 ILE 70 68.988 8.877 2.996 380 HG23 ILE 70 HG23 ILE 70 68.320 9.614 4.453 381 HD11 ILE 70 HD11 ILE 70 66.159 6.861 0.719 382 HD12 ILE 70 HD12 ILE 70 67.230 8.260 0.780 383 HD13 ILE 70 HD13 ILE 70 65.746 8.241 1.734 384 HA PRO 71 HA PRO 71 67.340 8.558 8.989 385 HB2 PRO 71 HB2 PRO 71 69.419 10.445 9.312 386 HB3 PRO 71 HB3 PRO 71 69.375 8.795 9.952 387 HG2 PRO 71 HG2 PRO 71 70.752 9.856 7.574 388 HG3 PRO 71 HG3 PRO 71 71.191 8.509 8.637 389 HD2 PRO 71 HD2 PRO 71 70.188 8.114 6.146 390 HD3 PRO 71 HD3 PRO 71 69.882 6.983 7.476 391 H VAL 72 H VAL 72 68.494 10.757 6.445 392 HA VAL 72 HA VAL 72 66.107 12.416 6.890 393 HB VAL 72 HB VAL 72 68.891 13.538 6.461 394 HG11 VAL 72 HG11 VAL 72 66.277 14.948 7.070 395 HG12 VAL 72 HG12 VAL 72 66.970 14.814 5.453 396 HG13 VAL 72 HG13 VAL 72 67.830 15.703 6.711 397 HG21 VAL 72 HG21 VAL 72 68.517 12.617 8.754 398 HG22 VAL 72 HG22 VAL 72 67.102 13.659 8.910 399 HG23 VAL 72 HG23 VAL 72 68.708 14.370 8.752 400 H GLN 73 H GLN 73 65.187 13.191 5.005 401 HA GLN 73 HA GLN 73 65.644 11.752 2.646 402 HB2 GLN 73 HB2 GLN 73 64.285 14.426 3.049 403 HB3 GLN 73 HB3 GLN 73 64.201 13.477 1.564 404 HG2 GLN 73 HG2 GLN 73 63.181 11.614 2.771 405 HG3 GLN 73 HG3 GLN 73 63.332 12.488 4.293 406 HE21 GLN 73 HE21 GLN 73 60.787 11.610 3.312 407 HE22 GLN 73 HE22 GLN 73 59.867 12.981 2.919 408 H ASP 74 H ASP 74 67.090 11.937 1.069 409 HA ASP 74 HA ASP 74 68.760 14.386 0.952 410 HB2 ASP 74 HB2 ASP 74 69.964 12.421 1.818 411 HB3 ASP 74 HB3 ASP 74 69.537 11.521 0.365 412 HA PRO 75 HA PRO 75 66.653 14.097 -3.184 413 HB2 PRO 75 HB2 PRO 75 67.569 16.937 -3.189 414 HB3 PRO 75 HB3 PRO 75 65.999 16.255 -3.662 415 HG2 PRO 75 HG2 PRO 75 66.233 17.562 -1.392 416 HG3 PRO 75 HG3 PRO 75 65.269 16.072 -1.470 417 HD2 PRO 75 HD2 PRO 75 68.051 16.449 -0.384 418 HD3 PRO 75 HD3 PRO 75 66.707 15.488 0.280 419 H LYS 76 H LYS 76 69.775 15.344 -2.167 420 HA LYS 76 HA LYS 76 70.989 15.585 -4.722 421 HB2 LYS 76 HB2 LYS 76 71.891 16.592 -2.625 422 HB3 LYS 76 HB3 LYS 76 72.338 14.974 -2.082 423 HG2 LYS 76 HG2 LYS 76 73.731 14.701 -4.126 424 HG3 LYS 76 HG3 LYS 76 73.338 16.357 -4.589 425 HD2 LYS 76 HD2 LYS 76 74.298 17.134 -2.404 426 HD3 LYS 76 HD3 LYS 76 74.824 15.478 -2.099 427 HE2 LYS 76 HE2 LYS 76 75.578 16.920 -4.639 428 HE3 LYS 76 HE3 LYS 76 76.541 17.079 -3.171 429 HZ1 LYS 76 HZ1 LYS 76 76.168 14.770 -4.911 430 HZ2 LYS 76 HZ2 LYS 76 76.290 14.460 -3.245 431 HZ3 LYS 76 HZ3 LYS 76 77.544 15.272 -4.055 432 H LEU 77 H LEU 77 70.383 12.818 -2.666 433 HA LEU 77 HA LEU 77 72.375 11.072 -3.566 434 HB2 LEU 77 HB2 LEU 77 70.832 10.631 -1.658 435 HB3 LEU 77 HB3 LEU 77 69.534 10.345 -2.815 436 HG LEU 77 HG LEU 77 71.004 8.574 -3.876 437 HD11 LEU 77 HD11 LEU 77 73.181 9.122 -3.126 438 HD12 LEU 77 HD12 LEU 77 72.756 7.686 -2.193 439 HD13 LEU 77 HD13 LEU 77 72.655 9.282 -1.450 440 HD21 LEU 77 HD21 LEU 77 70.221 8.231 -0.963 441 HD22 LEU 77 HD22 LEU 77 70.547 6.909 -2.084 442 HD23 LEU 77 HD23 LEU 77 69.170 7.978 -2.357 443 H LEU 78 H LEU 78 69.271 11.949 -5.013 444 HA LEU 78 HA LEU 78 69.110 9.906 -6.942 445 HB2 LEU 78 HB2 LEU 78 68.170 12.777 -7.169 446 HB3 LEU 78 HB3 LEU 78 67.622 11.428 -8.162 447 HG LEU 78 HG LEU 78 67.327 11.574 -5.148 448 HD11 LEU 78 HD11 LEU 78 64.898 11.867 -5.694 449 HD12 LEU 78 HD12 LEU 78 65.342 12.049 -7.391 450 HD13 LEU 78 HD13 LEU 78 65.891 13.232 -6.204 451 HD21 LEU 78 HD21 LEU 78 65.621 9.698 -5.780 452 HD22 LEU 78 HD22 LEU 78 67.335 9.290 -5.713 453 HD23 LEU 78 HD23 LEU 78 66.558 9.577 -7.270 454 H ASP 79 H ASP 79 70.602 13.129 -7.081 455 HA ASP 79 HA ASP 79 71.398 13.018 -9.781 456 HB2 ASP 79 HB2 ASP 79 72.645 14.510 -7.460 457 HB3 ASP 79 HB3 ASP 79 73.010 14.802 -9.160 458 H ASN 80 H ASN 80 73.056 12.015 -6.812 459 HA ASN 80 HA ASN 80 75.540 11.384 -7.952 460 HB2 ASN 80 HB2 ASN 80 74.920 11.468 -5.480 461 HB3 ASN 80 HB3 ASN 80 74.264 9.846 -5.690 462 HD21 ASN 80 HD21 ASN 80 75.978 9.037 -4.210 463 HD22 ASN 80 HD22 ASN 80 77.563 8.836 -4.784 464 H LEU 81 H LEU 81 72.686 9.296 -7.439 465 HA LEU 81 HA LEU 81 73.815 6.917 -8.413 466 HB2 LEU 81 HB2 LEU 81 70.929 7.830 -8.523 467 HB3 LEU 81 HB3 LEU 81 71.487 6.171 -8.743 468 HG LEU 81 HG LEU 81 71.984 7.819 -6.246 469 HD11 LEU 81 HD11 LEU 81 69.612 7.372 -6.405 470 HD12 LEU 81 HD12 LEU 81 70.293 6.234 -5.243 471 HD13 LEU 81 HD13 LEU 81 69.910 5.701 -6.880 472 HD21 LEU 81 HD21 LEU 81 72.573 4.985 -7.095 473 HD22 LEU 81 HD22 LEU 81 72.394 5.393 -5.388 474 HD23 LEU 81 HD23 LEU 81 73.657 6.160 -6.351 475 H LEU 82 H LEU 82 72.286 9.611 -10.135 476 HA LEU 82 HA LEU 82 72.160 8.248 -12.644 477 HB2 LEU 82 HB2 LEU 82 72.262 11.224 -12.065 478 HB3 LEU 82 HB3 LEU 82 71.833 10.500 -13.614 479 HG LEU 82 HG LEU 82 70.350 9.984 -11.021 480 HD11 LEU 82 HD11 LEU 82 68.653 11.484 -11.832 481 HD12 LEU 82 HD12 LEU 82 69.467 11.654 -13.388 482 HD13 LEU 82 HD13 LEU 82 70.187 12.348 -11.935 483 HD21 LEU 82 HD21 LEU 82 69.935 9.177 -13.907 484 HD22 LEU 82 HD22 LEU 82 68.619 9.153 -12.732 485 HD23 LEU 82 HD23 LEU 82 70.036 8.132 -12.490 486 H THR 83 H THR 83 74.572 10.486 -11.256 487 HA THR 83 HA THR 83 76.295 10.543 -13.466 488 HB THR 83 HB THR 83 77.099 10.646 -10.551 489 HG1 THR 83 HG1 THR 83 76.323 12.709 -12.248 490 HG21 THR 83 HG21 THR 83 78.942 10.436 -12.223 491 HG22 THR 83 HG22 THR 83 78.963 11.983 -11.375 492 HG23 THR 83 HG23 THR 83 78.340 11.888 -13.022 493 H LYS 84 H LYS 84 75.912 8.122 -10.947 494 HA LYS 84 HA LYS 84 78.287 6.656 -11.731 495 HB2 LYS 84 HB2 LYS 84 76.059 5.857 -9.848 496 HB3 LYS 84 HB3 LYS 84 77.612 5.042 -10.024 497 HG2 LYS 84 HG2 LYS 84 77.262 7.928 -9.159 498 HG3 LYS 84 HG3 LYS 84 77.558 6.579 -8.064 499 HD2 LYS 84 HD2 LYS 84 79.675 6.102 -9.351 500 HD3 LYS 84 HD3 LYS 84 79.404 7.603 -10.239 501 HE2 LYS 84 HE2 LYS 84 79.431 7.576 -7.226 502 HE3 LYS 84 HE3 LYS 84 80.928 7.705 -8.148 503 HZ1 LYS 84 HZ1 LYS 84 79.440 9.797 -7.459 504 HZ2 LYS 84 HZ2 LYS 84 78.771 9.457 -8.983 505 HZ3 LYS 84 HZ3 LYS 84 80.435 9.772 -8.834 506 H ASN 85 H ASN 85 75.352 6.913 -13.239 507 HA ASN 85 HA ASN 85 74.227 5.638 -14.759 508 HB2 ASN 85 HB2 ASN 85 76.745 3.956 -14.788 509 HB3 ASN 85 HB3 ASN 85 75.496 4.006 -16.028 510 HD21 ASN 85 HD21 ASN 85 75.044 6.787 -16.234 511 HD22 ASN 85 HD22 ASN 85 76.461 7.539 -16.784 512 H VAL 86 H VAL 86 73.729 5.115 -12.040 513 HA VAL 86 HA VAL 86 73.423 2.199 -11.890 514 HB VAL 86 HB VAL 86 72.755 4.343 -9.854 515 HG11 VAL 86 HG11 VAL 86 72.782 1.318 -9.768 516 HG12 VAL 86 HG12 VAL 86 71.447 2.401 -9.373 517 HG13 VAL 86 HG13 VAL 86 72.851 2.307 -8.309 518 HG21 VAL 86 HG21 VAL 86 75.214 4.045 -10.483 519 HG22 VAL 86 HG22 VAL 86 75.079 2.404 -9.856 520 HG23 VAL 86 HG23 VAL 86 74.825 3.780 -8.784 521 H LYS 87 H LYS 87 71.416 1.180 -11.904 522 HA LYS 87 HA LYS 87 69.315 2.538 -13.322 523 HB2 LYS 87 HB2 LYS 87 70.009 -0.039 -13.169 524 HB3 LYS 87 HB3 LYS 87 68.825 -0.028 -11.866 525 HG2 LYS 87 HG2 LYS 87 68.301 0.942 -14.691 526 HG3 LYS 87 HG3 LYS 87 67.811 -0.627 -14.056 527 HD2 LYS 87 HD2 LYS 87 66.551 0.639 -12.239 528 HD3 LYS 87 HD3 LYS 87 66.856 2.103 -13.176 529 HE2 LYS 87 HE2 LYS 87 64.733 1.377 -13.923 530 HE3 LYS 87 HE3 LYS 87 65.848 0.826 -15.172 531 HZ1 LYS 87 HZ1 LYS 87 65.799 -1.351 -14.342 532 HZ2 LYS 87 HZ2 LYS 87 64.177 -0.846 -14.333 533 HZ3 LYS 87 HZ3 LYS 87 65.066 -0.883 -12.886 534 H VAL 88 H VAL 88 67.899 3.905 -12.391 535 HA VAL 88 HA VAL 88 67.382 3.621 -9.483 536 HB VAL 88 HB VAL 88 67.233 6.115 -11.194 537 HG11 VAL 88 HG11 VAL 88 65.742 6.447 -9.397 538 HG12 VAL 88 HG12 VAL 88 67.255 7.126 -8.796 539 HG13 VAL 88 HG13 VAL 88 66.741 5.520 -8.278 540 HG21 VAL 88 HG21 VAL 88 69.214 6.693 -9.579 541 HG22 VAL 88 HG22 VAL 88 69.533 5.683 -10.990 542 HG23 VAL 88 HG23 VAL 88 69.348 4.943 -9.398 543 H VAL 89 H VAL 89 65.391 3.272 -8.819 544 HA VAL 89 HA VAL 89 63.134 3.689 -10.702 545 HB VAL 89 HB VAL 89 63.274 1.654 -8.462 546 HG11 VAL 89 HG11 VAL 89 61.276 2.359 -10.601 547 HG12 VAL 89 HG12 VAL 89 61.012 2.144 -8.871 548 HG13 VAL 89 HG13 VAL 89 61.311 0.741 -9.898 549 HG21 VAL 89 HG21 VAL 89 63.248 0.070 -10.567 550 HG22 VAL 89 HG22 VAL 89 64.775 0.741 -9.993 551 HG23 VAL 89 HG23 VAL 89 63.962 1.465 -11.381 552 H GLY 90 H GLY 90 61.499 4.986 -9.959 553 HA2 GLY 90 HA2 GLY 90 61.534 5.716 -7.079 554 HA3 GLY 90 HA3 GLY 90 61.334 6.921 -8.346 555 H GLU 91 H GLU 91 59.649 5.421 -6.068 556 HA GLU 91 HA GLU 91 57.162 5.897 -7.522 557 HB2 GLU 91 HB2 GLU 91 57.675 3.279 -6.082 558 HB3 GLU 91 HB3 GLU 91 56.149 3.775 -6.814 559 HG2 GLU 91 HG2 GLU 91 57.379 3.990 -9.013 560 HG3 GLU 91 HG3 GLU 91 58.770 3.241 -8.230 561 HA PRO 92 HA PRO 92 57.182 7.594 -3.217 562 HB2 PRO 92 HB2 PRO 92 55.399 9.613 -4.454 563 HB3 PRO 92 HB3 PRO 92 56.844 9.844 -3.451 564 HG2 PRO 92 HG2 PRO 92 56.841 10.346 -6.072 565 HG3 PRO 92 HG3 PRO 92 58.269 9.714 -5.231 566 HD2 PRO 92 HD2 PRO 92 56.325 8.257 -6.987 567 HD3 PRO 92 HD3 PRO 92 58.086 8.055 -6.842 568 HA PRO 93 HA PRO 93 53.294 5.633 -2.147 569 HB2 PRO 93 HB2 PRO 93 52.918 7.897 -0.223 570 HB3 PRO 93 HB3 PRO 93 52.810 6.146 0.061 571 HG2 PRO 93 HG2 PRO 93 54.919 7.482 0.887 572 HG3 PRO 93 HG3 PRO 93 55.110 5.882 0.138 573 HD2 PRO 93 HD2 PRO 93 55.637 8.587 -1.054 574 HD3 PRO 93 HD3 PRO 93 56.543 7.069 -1.257 575 H GLU 94 H GLU 94 51.128 5.841 -2.742 576 HA GLU 94 HA GLU 94 50.506 8.283 -4.253 577 HB2 GLU 94 HB2 GLU 94 49.189 5.557 -4.250 578 HB3 GLU 94 HB3 GLU 94 48.725 6.911 -5.283 579 HG2 GLU 94 HG2 GLU 94 51.465 5.616 -5.229 580 HG3 GLU 94 HG3 GLU 94 50.236 5.334 -6.455 581 H GLU 95 H GLU 95 49.903 9.649 -2.533 582 HA GLU 95 HA GLU 95 47.173 9.101 -1.554 583 HB2 GLU 95 HB2 GLU 95 49.469 10.220 0.074 584 HB3 GLU 95 HB3 GLU 95 47.785 10.184 0.603 585 HG2 GLU 95 HG2 GLU 95 47.814 7.686 0.234 586 HG3 GLU 95 HG3 GLU 95 49.552 7.809 -0.032 587 HA PRO 96 HA PRO 96 47.596 13.160 -3.843 588 HB2 PRO 96 HB2 PRO 96 44.754 12.547 -4.482 589 HB3 PRO 96 HB3 PRO 96 46.065 13.081 -5.552 590 HG2 PRO 96 HG2 PRO 96 45.166 10.583 -5.605 591 HG3 PRO 96 HG3 PRO 96 46.885 10.957 -5.836 592 HD2 PRO 96 HD2 PRO 96 45.512 9.853 -3.411 593 HD3 PRO 96 HD3 PRO 96 47.120 9.475 -4.069 594 H LEU 97 H LEU 97 47.182 15.060 -2.842 595 HA LEU 97 HA LEU 97 45.623 15.152 -0.443 596 HB2 LEU 97 HB2 LEU 97 46.781 17.417 -2.088 597 HB3 LEU 97 HB3 LEU 97 46.177 17.544 -0.437 598 HG LEU 97 HG LEU 97 48.462 15.744 -1.298 599 HD11 LEU 97 HD11 LEU 97 48.423 18.447 0.075 600 HD12 LEU 97 HD12 LEU 97 49.158 18.058 -1.480 601 HD13 LEU 97 HD13 LEU 97 49.841 17.401 0.007 602 HD21 LEU 97 HD21 LEU 97 47.163 16.401 1.351 603 HD22 LEU 97 HD22 LEU 97 48.810 15.779 1.260 604 HD23 LEU 97 HD23 LEU 97 47.466 14.812 0.650 605 H GLU 98 H GLU 98 45.147 16.290 -3.764 606 HA GLU 98 HA GLU 98 42.757 17.722 -3.311 607 HB2 GLU 98 HB2 GLU 98 43.751 16.340 -5.813 608 HB3 GLU 98 HB3 GLU 98 42.417 17.494 -5.756 609 HG2 GLU 98 HG2 GLU 98 43.965 19.192 -4.802 610 HG3 GLU 98 HG3 GLU 98 45.289 18.046 -4.962 611 H HIS 99 H HIS 99 40.643 17.142 -3.309 612 HA HIS 99 HA HIS 99 40.004 14.342 -2.950 613 HB2 HIS 99 HB2 HIS 99 38.277 16.812 -2.943 614 HB3 HIS 99 HB3 HIS 99 37.705 15.197 -2.570 615 HD1 HIS 99 HD1 HIS 99 39.688 18.044 -1.182 616 HD2 HIS 99 HD2 HIS 99 38.550 14.206 -0.015 617 HE1 HIS 99 HE1 HIS 99 40.204 17.864 1.289 618 H HIS 100 H HIS 100 39.916 16.574 -5.607 619 HA HIS 100 HA HIS 100 37.710 15.677 -7.053 620 HB2 HIS 100 HB2 HIS 100 40.372 16.683 -8.049 621 HB3 HIS 100 HB3 HIS 100 38.951 16.480 -9.054 622 HD1 HIS 100 HD1 HIS 100 40.451 18.684 -6.439 623 HD2 HIS 100 HD2 HIS 100 36.905 18.440 -8.616 624 HE1 HIS 100 HE1 HIS 100 39.249 20.884 -6.095 625 H HIS 101 H HIS 101 40.872 14.173 -6.675 626 HA HIS 101 HA HIS 101 40.872 12.462 -8.884 627 HB2 HIS 101 HB2 HIS 101 41.944 12.037 -6.096 628 HB3 HIS 101 HB3 HIS 101 42.265 10.957 -7.439 629 HD1 HIS 101 HD1 HIS 101 43.159 14.299 -6.033 630 HD2 HIS 101 HD2 HIS 101 44.073 12.015 -9.398 631 HE1 HIS 101 HE1 HIS 101 45.153 15.408 -7.131 632 H HIS 102 H HIS 102 39.335 12.084 -5.714 633 HA HIS 102 HA HIS 102 38.433 9.447 -5.986 634 HB2 HIS 102 HB2 HIS 102 37.184 11.788 -4.550 635 HB3 HIS 102 HB3 HIS 102 36.650 10.127 -4.377 636 HD1 HIS 102 HD1 HIS 102 39.362 12.495 -3.388 637 HD2 HIS 102 HD2 HIS 102 38.437 8.463 -2.869 638 HE1 HIS 102 HE1 HIS 102 40.912 11.633 -1.583 639 H HIS 103 H HIS 103 37.065 12.476 -7.189 640 HA HIS 103 HA HIS 103 34.522 11.580 -7.920 641 HB2 HIS 103 HB2 HIS 103 35.267 13.938 -7.941 642 HB3 HIS 103 HB3 HIS 103 36.244 13.599 -9.357 643 HD1 HIS 103 HD1 HIS 103 32.578 13.296 -8.329 644 HD2 HIS 103 HD2 HIS 103 34.891 14.148 -11.690 645 HE1 HIS 103 HE1 HIS 103 30.956 13.878 -10.183 646 H HIS 104 H HIS 104 37.619 11.176 -9.560 647 HA HIS 104 HA HIS 104 36.247 9.752 -11.762 648 HB2 HIS 104 HB2 HIS 104 39.001 10.980 -11.619 649 HB3 HIS 104 HB3 HIS 104 38.400 10.043 -12.973 650 HD1 HIS 104 HD1 HIS 104 38.184 13.392 -11.349 651 HD2 HIS 104 HD2 HIS 104 36.427 11.402 -14.563 652 HE1 HIS 104 HE1 HIS 104 36.984 15.155 -12.712 Start of MODEL 17 1 H1 MET 23 HT1 MET 23 58.960 -11.022 0.835 2 H2 MET 23 HT2 MET 23 59.081 -9.869 2.076 3 H3 MET 23 HT3 MET 23 58.370 -11.380 2.384 4 HA MET 23 HA MET 23 60.965 -11.765 1.347 5 HB2 MET 23 HB2 MET 23 60.711 -9.950 3.764 6 HB3 MET 23 HB3 MET 23 62.198 -10.766 3.281 7 HG2 MET 23 HG2 MET 23 62.068 -9.629 1.068 8 HG3 MET 23 HG3 MET 23 60.645 -8.753 1.631 9 HE1 MET 23 HE1 MET 23 63.607 -6.282 1.352 10 HE2 MET 23 HE2 MET 23 61.862 -6.088 1.488 11 HE3 MET 23 HE3 MET 23 62.525 -7.327 0.424 12 H ALA 24 H ALA 24 60.406 -13.903 1.653 13 HA ALA 24 HA ALA 24 59.160 -14.979 3.935 14 HB1 ALA 24 HB1 ALA 24 59.139 -16.415 2.109 15 HB2 ALA 24 HB2 ALA 24 60.407 -17.129 3.103 16 HB3 ALA 24 HB3 ALA 24 60.834 -16.116 1.724 17 H SER 25 H SER 25 62.573 -14.405 3.190 18 HA SER 25 HA SER 25 63.254 -15.240 5.956 19 HB2 SER 25 HB2 SER 25 65.475 -15.803 5.128 20 HB3 SER 25 HB3 SER 25 64.258 -16.672 4.199 21 HG SER 25 HG SER 25 64.957 -15.620 2.541 22 H GLU 26 H GLU 26 64.317 -13.828 7.227 23 HA GLU 26 HA GLU 26 64.452 -11.074 6.525 24 HB2 GLU 26 HB2 GLU 26 64.167 -11.946 8.850 25 HB3 GLU 26 HB3 GLU 26 65.848 -12.479 8.812 26 HG2 GLU 26 HG2 GLU 26 66.543 -10.136 8.325 27 HG3 GLU 26 HG3 GLU 26 64.866 -9.632 8.475 28 H SER 27 H SER 27 66.842 -13.675 6.645 29 HA SER 27 HA SER 27 69.182 -12.171 6.420 30 HB2 SER 27 HB2 SER 27 69.079 -14.613 6.885 31 HB3 SER 27 HB3 SER 27 68.646 -14.884 5.200 32 HG SER 27 HG SER 27 70.654 -14.540 4.719 33 H ASN 28 H ASN 28 66.801 -12.951 3.960 34 HA ASN 28 HA ASN 28 68.344 -12.697 1.650 35 HB2 ASN 28 HB2 ASN 28 65.915 -13.401 1.831 36 HB3 ASN 28 HB3 ASN 28 65.514 -11.690 1.926 37 HD21 ASN 28 HD21 ASN 28 64.434 -12.959 -0.226 38 HD22 ASN 28 HD22 ASN 28 65.273 -12.586 -1.654 39 H GLY 29 H GLY 29 67.117 -10.192 3.793 40 HA2 GLY 29 HA2 GLY 29 68.413 -8.159 2.065 41 HA3 GLY 29 HA3 GLY 29 66.915 -7.847 2.937 42 H ARG 30 H ARG 30 70.369 -8.271 3.215 43 HA ARG 30 HA ARG 30 70.616 -8.223 6.037 44 HB2 ARG 30 HB2 ARG 30 72.510 -7.191 3.911 45 HB3 ARG 30 HB3 ARG 30 72.928 -7.432 5.608 46 HG2 ARG 30 HG2 ARG 30 72.311 -9.838 5.381 47 HG3 ARG 30 HG3 ARG 30 72.024 -9.573 3.660 48 HD2 ARG 30 HD2 ARG 30 74.392 -8.722 3.484 49 HD3 ARG 30 HD3 ARG 30 74.641 -9.248 5.147 50 HE ARG 30 HE ARG 30 74.472 -10.929 2.801 51 HH11 ARG 30 HH11 ARG 30 74.089 -10.868 6.292 52 HH12 ARG 30 HH12 ARG 30 74.346 -12.574 6.448 53 HH21 ARG 30 HH21 ARG 30 74.793 -13.118 3.066 54 HH22 ARG 30 HH22 ARG 30 74.739 -13.831 4.643 55 H LYS 31 H LYS 31 70.931 -6.509 7.496 56 HA LYS 31 HA LYS 31 69.698 -4.005 6.740 57 HB2 LYS 31 HB2 LYS 31 69.959 -3.362 9.051 58 HB3 LYS 31 HB3 LYS 31 69.403 -5.032 9.006 59 HG2 LYS 31 HG2 LYS 31 71.764 -5.788 9.301 60 HG3 LYS 31 HG3 LYS 31 72.257 -4.102 9.451 61 HD2 LYS 31 HD2 LYS 31 70.554 -3.919 11.349 62 HD3 LYS 31 HD3 LYS 31 70.459 -5.681 11.300 63 HE2 LYS 31 HE2 LYS 31 73.115 -4.269 11.509 64 HE3 LYS 31 HE3 LYS 31 72.156 -4.625 12.945 65 HZ1 LYS 31 HZ1 LYS 31 73.392 -6.495 11.032 66 HZ2 LYS 31 HZ2 LYS 31 72.054 -6.980 11.961 67 HZ3 LYS 31 HZ3 LYS 31 73.488 -6.483 12.726 68 H VAL 32 H VAL 32 70.667 -2.120 6.195 69 HA VAL 32 HA VAL 32 73.590 -1.904 6.575 70 HB VAL 32 HB VAL 32 72.113 -1.258 4.012 71 HG11 VAL 32 HG11 VAL 32 74.008 0.255 4.410 72 HG12 VAL 32 HG12 VAL 32 74.405 -0.884 3.124 73 HG13 VAL 32 HG13 VAL 32 75.056 -1.124 4.745 74 HG21 VAL 32 HG21 VAL 32 73.944 -3.519 4.847 75 HG22 VAL 32 HG22 VAL 32 73.668 -3.107 3.154 76 HG23 VAL 32 HG23 VAL 32 72.322 -3.634 4.165 77 H ASP 33 H ASP 33 74.210 -0.065 7.425 78 HA ASP 33 HA ASP 33 72.426 2.099 7.981 79 HB2 ASP 33 HB2 ASP 33 75.438 1.864 8.197 80 HB3 ASP 33 HB3 ASP 33 74.500 3.213 8.826 81 H TYR 34 H TYR 34 72.433 4.215 7.091 82 HA TYR 34 HA TYR 34 72.699 4.445 4.332 83 HB2 TYR 34 HB2 TYR 34 71.359 5.992 5.615 84 HB3 TYR 34 HB3 TYR 34 72.769 6.565 6.480 85 HD1 TYR 34 HD1 TYR 34 72.406 5.947 2.813 86 HD2 TYR 34 HD2 TYR 34 72.825 8.860 5.941 87 HE1 TYR 34 HE1 TYR 34 72.756 7.721 1.117 88 HE2 TYR 34 HE2 TYR 34 73.159 10.637 4.242 89 HH TYR 34 HH TYR 34 72.815 11.043 1.911 90 H SER 35 H SER 35 75.074 5.179 6.870 91 HA SER 35 HA SER 35 76.973 6.492 5.276 92 HB2 SER 35 HB2 SER 35 77.505 4.670 7.634 93 HB3 SER 35 HB3 SER 35 78.585 5.908 7.003 94 HG SER 35 HG SER 35 76.983 7.396 7.559 95 H THR 36 H THR 36 76.470 3.046 5.925 96 HA THR 36 HA THR 36 78.814 2.135 4.582 97 HB THR 36 HB THR 36 76.218 0.645 5.047 98 HG1 THR 36 HG1 THR 36 77.545 -0.074 6.863 99 HG21 THR 36 HG21 THR 36 77.679 -0.486 3.465 100 HG22 THR 36 HG22 THR 36 77.742 -1.336 5.009 101 HG23 THR 36 HG23 THR 36 79.062 -0.266 4.538 102 H PHE 37 H PHE 37 75.455 2.632 3.552 103 HA PHE 37 HA PHE 37 75.648 1.549 0.986 104 HB2 PHE 37 HB2 PHE 37 73.527 2.221 1.972 105 HB3 PHE 37 HB3 PHE 37 74.024 3.900 1.963 106 HD1 PHE 37 HD2 PHE 37 72.852 1.072 -0.083 107 HD2 PHE 37 HD1 PHE 37 74.047 5.196 -0.101 108 HE1 PHE 37 HE2 PHE 37 71.908 1.339 -2.362 109 HE2 PHE 37 HE1 PHE 37 73.101 5.462 -2.378 110 HZ PHE 37 HZ PHE 37 72.031 3.532 -3.508 111 H LEU 38 H LEU 38 76.419 4.841 2.116 112 HA LEU 38 HA LEU 38 76.885 5.966 -0.412 113 HB2 LEU 38 HB2 LEU 38 78.126 6.666 2.259 114 HB3 LEU 38 HB3 LEU 38 78.177 7.684 0.817 115 HG LEU 38 HG LEU 38 75.602 6.693 2.062 116 HD11 LEU 38 HD11 LEU 38 76.588 9.522 2.282 117 HD12 LEU 38 HD12 LEU 38 77.136 8.317 3.447 118 HD13 LEU 38 HD13 LEU 38 75.416 8.668 3.286 119 HD21 LEU 38 HD21 LEU 38 76.343 8.619 -0.137 120 HD22 LEU 38 HD22 LEU 38 74.801 8.766 0.707 121 HD23 LEU 38 HD23 LEU 38 75.183 7.290 -0.179 122 H GLN 39 H GLN 39 79.094 4.304 1.820 123 HA GLN 39 HA GLN 39 81.450 4.713 0.317 124 HB2 GLN 39 HB2 GLN 39 81.385 3.840 2.659 125 HB3 GLN 39 HB3 GLN 39 80.790 2.303 2.029 126 HG2 GLN 39 HG2 GLN 39 82.807 2.057 0.655 127 HG3 GLN 39 HG3 GLN 39 83.400 3.615 1.220 128 HE21 GLN 39 HE21 GLN 39 85.081 1.500 1.681 129 HE22 GLN 39 HE22 GLN 39 85.055 1.047 3.317 130 H GLU 40 H GLU 40 79.029 2.121 0.196 131 HA GLU 40 HA GLU 40 80.377 0.500 -1.665 132 HB2 GLU 40 HB2 GLU 40 78.433 -0.201 -0.262 133 HB3 GLU 40 HB3 GLU 40 77.384 0.737 -1.328 134 HG2 GLU 40 HG2 GLU 40 78.210 -0.578 -3.263 135 HG3 GLU 40 HG3 GLU 40 79.190 -1.544 -2.171 136 H VAL 41 H VAL 41 78.004 3.100 -2.141 137 HA VAL 41 HA VAL 41 77.775 2.950 -4.919 138 HB VAL 41 HB VAL 41 77.719 5.409 -3.148 139 HG11 VAL 41 HG11 VAL 41 76.537 4.976 -5.910 140 HG12 VAL 41 HG12 VAL 41 77.990 5.918 -5.574 141 HG13 VAL 41 HG13 VAL 41 76.430 6.448 -4.944 142 HG21 VAL 41 HG21 VAL 41 76.111 3.410 -2.723 143 HG22 VAL 41 HG22 VAL 41 75.359 3.884 -4.244 144 HG23 VAL 41 HG23 VAL 41 75.408 5.017 -2.895 145 H ASN 42 H ASN 42 80.118 4.763 -2.937 146 HA ASN 42 HA ASN 42 81.578 5.930 -5.017 147 HB2 ASN 42 HB2 ASN 42 82.495 5.003 -2.289 148 HB3 ASN 42 HB3 ASN 42 83.442 6.032 -3.365 149 HD21 ASN 42 HD21 ASN 42 81.672 6.374 -0.671 150 HD22 ASN 42 HD22 ASN 42 80.923 7.867 -0.970 151 H ASN 43 H ASN 43 81.716 2.675 -3.698 152 HA ASN 43 HA ASN 43 84.039 1.954 -5.293 153 HB2 ASN 43 HB2 ASN 43 82.194 0.280 -3.582 154 HB3 ASN 43 HB3 ASN 43 83.645 -0.320 -4.377 155 HD21 ASN 43 HD21 ASN 43 83.296 -0.315 -1.500 156 HD22 ASN 43 HD22 ASN 43 84.452 0.742 -0.847 157 H ASP 44 H ASP 44 81.016 2.545 -6.310 158 HA ASP 44 HA ASP 44 79.656 1.813 -7.992 159 HB2 ASP 44 HB2 ASP 44 81.738 2.556 -9.159 160 HB3 ASP 44 HB3 ASP 44 82.272 0.876 -9.175 161 H GLN 45 H GLN 45 79.919 -0.110 -5.857 162 HA GLN 45 HA GLN 45 79.867 -2.683 -7.255 163 HB2 GLN 45 HB2 GLN 45 79.487 -2.021 -4.331 164 HB3 GLN 45 HB3 GLN 45 79.527 -3.647 -5.008 165 HG2 GLN 45 HG2 GLN 45 81.773 -1.621 -5.187 166 HG3 GLN 45 HG3 GLN 45 81.728 -2.997 -4.089 167 HE21 GLN 45 HE21 GLN 45 83.130 -2.084 -6.918 168 HE22 GLN 45 HE22 GLN 45 83.251 -3.591 -7.690 169 H VAL 46 H VAL 46 77.614 -0.264 -6.226 170 HA VAL 46 HA VAL 46 75.358 -2.064 -5.989 171 HB VAL 46 HB VAL 46 75.391 0.959 -6.236 172 HG11 VAL 46 HG11 VAL 46 73.199 0.069 -6.717 173 HG12 VAL 46 HG12 VAL 46 73.164 0.705 -5.072 174 HG13 VAL 46 HG13 VAL 46 73.290 -1.034 -5.343 175 HG21 VAL 46 HG21 VAL 46 74.921 0.648 -3.668 176 HG22 VAL 46 HG22 VAL 46 76.582 0.575 -4.255 177 HG23 VAL 46 HG23 VAL 46 75.704 -0.914 -3.901 178 H ARG 47 H ARG 47 73.831 -2.521 -7.516 179 HA ARG 47 HA ARG 47 74.432 -1.623 -10.264 180 HB2 ARG 47 HB2 ARG 47 74.467 -4.067 -9.791 181 HB3 ARG 47 HB3 ARG 47 72.766 -3.971 -9.335 182 HG2 ARG 47 HG2 ARG 47 72.231 -3.090 -11.596 183 HG3 ARG 47 HG3 ARG 47 73.927 -3.275 -12.048 184 HD2 ARG 47 HD2 ARG 47 73.762 -5.708 -11.510 185 HD3 ARG 47 HD3 ARG 47 72.043 -5.491 -11.194 186 HE ARG 47 HE ARG 47 73.352 -5.522 -13.790 187 HH11 ARG 47 HH11 ARG 47 70.442 -4.649 -12.030 188 HH12 ARG 47 HH12 ARG 47 69.461 -4.645 -13.457 189 HH21 ARG 47 HH21 ARG 47 72.039 -5.501 -15.592 190 HH22 ARG 47 HH22 ARG 47 70.354 -5.122 -15.448 191 H GLU 48 H GLU 48 71.723 -2.221 -8.040 192 HA GLU 48 HA GLU 48 70.104 -0.260 -9.551 193 HB2 GLU 48 HB2 GLU 48 69.493 -2.596 -10.193 194 HB3 GLU 48 HB3 GLU 48 69.094 -2.912 -8.503 195 HG2 GLU 48 HG2 GLU 48 67.453 -1.053 -8.567 196 HG3 GLU 48 HG3 GLU 48 67.808 -0.815 -10.273 197 H ALA 49 H ALA 49 68.827 1.060 -8.324 198 HA ALA 49 HA ALA 49 68.507 0.425 -5.458 199 HB1 ALA 49 HB1 ALA 49 68.899 3.270 -6.282 200 HB2 ALA 49 HB2 ALA 49 70.319 2.235 -6.128 201 HB3 ALA 49 HB3 ALA 49 69.257 2.486 -4.744 202 H ARG 50 H ARG 50 66.425 0.199 -5.102 203 HA ARG 50 HA ARG 50 64.434 1.758 -6.586 204 HB2 ARG 50 HB2 ARG 50 64.171 -0.443 -4.516 205 HB3 ARG 50 HB3 ARG 50 62.811 0.344 -5.311 206 HG2 ARG 50 HG2 ARG 50 63.737 -0.388 -7.518 207 HG3 ARG 50 HG3 ARG 50 65.003 -1.265 -6.656 208 HD2 ARG 50 HD2 ARG 50 63.186 -2.507 -5.423 209 HD3 ARG 50 HD3 ARG 50 62.019 -1.749 -6.502 210 HE ARG 50 HE ARG 50 63.755 -2.866 -8.241 211 HH11 ARG 50 HH11 ARG 50 62.126 -4.209 -5.437 212 HH12 ARG 50 HH12 ARG 50 62.112 -5.814 -6.088 213 HH21 ARG 50 HH21 ARG 50 63.705 -4.955 -9.029 214 HH22 ARG 50 HH22 ARG 50 62.994 -6.229 -8.095 215 H ILE 51 H ILE 51 63.246 3.398 -5.660 216 HA ILE 51 HA ILE 51 63.901 4.116 -2.863 217 HB ILE 51 HB ILE 51 63.005 5.904 -5.139 218 HG12 ILE 51 HG12 ILE 51 65.714 5.674 -3.796 219 HG13 ILE 51 HG13 ILE 51 65.322 4.961 -5.360 220 HG21 ILE 51 HG21 ILE 51 63.568 7.739 -3.591 221 HG22 ILE 51 HG22 ILE 51 63.966 6.564 -2.336 222 HG23 ILE 51 HG23 ILE 51 62.304 6.711 -2.913 223 HD11 ILE 51 HD11 ILE 51 66.236 6.992 -6.024 224 HD12 ILE 51 HD12 ILE 51 65.612 7.850 -4.616 225 HD13 ILE 51 HD13 ILE 51 64.526 7.412 -5.935 226 H ASN 52 H ASN 52 62.321 3.977 -1.428 227 HA ASN 52 HA ASN 52 59.565 4.605 -2.226 228 HB2 ASN 52 HB2 ASN 52 59.933 2.083 -2.138 229 HB3 ASN 52 HB3 ASN 52 60.221 2.279 -0.409 230 HD21 ASN 52 HD21 ASN 52 58.376 2.069 0.856 231 HD22 ASN 52 HD22 ASN 52 56.790 2.341 0.318 232 H GLY 53 H GLY 53 59.582 6.550 -1.150 233 HA2 GLY 53 HA2 GLY 53 59.477 8.007 0.629 234 HA3 GLY 53 HA3 GLY 53 59.155 6.597 1.633 235 H ARG 54 H ARG 54 60.501 6.632 3.308 236 HA ARG 54 HA ARG 54 63.104 7.876 3.194 237 HB2 ARG 54 HB2 ARG 54 61.594 7.901 5.215 238 HB3 ARG 54 HB3 ARG 54 61.955 6.188 5.419 239 HG2 ARG 54 HG2 ARG 54 64.342 6.681 5.633 240 HG3 ARG 54 HG3 ARG 54 64.034 8.394 5.349 241 HD2 ARG 54 HD2 ARG 54 64.227 8.085 7.730 242 HD3 ARG 54 HD3 ARG 54 62.525 8.366 7.369 243 HE ARG 54 HE ARG 54 63.385 5.577 7.475 244 HH11 ARG 54 HH11 ARG 54 61.866 8.236 9.196 245 HH12 ARG 54 HH12 ARG 54 61.086 7.187 10.330 246 HH21 ARG 54 HH21 ARG 54 62.352 4.277 8.966 247 HH22 ARG 54 HH22 ARG 54 61.358 4.975 10.201 248 H GLU 55 H GLU 55 61.966 4.685 2.519 249 HA GLU 55 HA GLU 55 64.540 3.488 3.309 250 HB2 GLU 55 HB2 GLU 55 61.904 2.205 2.560 251 HB3 GLU 55 HB3 GLU 55 63.360 1.336 3.048 252 HG2 GLU 55 HG2 GLU 55 63.341 2.576 5.205 253 HG3 GLU 55 HG3 GLU 55 61.840 3.353 4.724 254 H ILE 56 H ILE 56 65.895 2.578 1.855 255 HA ILE 56 HA ILE 56 65.068 2.522 -0.993 256 HB ILE 56 HB ILE 56 67.878 2.725 0.132 257 HG12 ILE 56 HG12 ILE 56 66.224 4.854 -1.260 258 HG13 ILE 56 HG13 ILE 56 66.466 4.779 0.486 259 HG21 ILE 56 HG21 ILE 56 66.897 3.145 -2.702 260 HG22 ILE 56 HG22 ILE 56 67.533 1.604 -2.129 261 HG23 ILE 56 HG23 ILE 56 68.566 3.030 -2.148 262 HD11 ILE 56 HD11 ILE 56 68.082 6.324 -0.575 263 HD12 ILE 56 HD12 ILE 56 68.679 5.004 -1.577 264 HD13 ILE 56 HD13 ILE 56 68.900 4.952 0.171 265 H ASN 57 H ASN 57 65.074 0.557 -1.963 266 HA ASN 57 HA ASN 57 66.276 -1.717 -0.491 267 HB2 ASN 57 HB2 ASN 57 64.251 -1.715 -2.755 268 HB3 ASN 57 HB3 ASN 57 64.846 -3.141 -1.907 269 HD21 ASN 57 HD21 ASN 57 64.792 -2.256 0.768 270 HD22 ASN 57 HD22 ASN 57 63.189 -1.915 1.212 271 H VAL 58 H VAL 58 68.052 -2.715 -1.382 272 HA VAL 58 HA VAL 58 68.993 -1.590 -3.965 273 HB VAL 58 HB VAL 58 70.680 -2.163 -1.528 274 HG11 VAL 58 HG11 VAL 58 72.142 -2.303 -3.332 275 HG12 VAL 58 HG12 VAL 58 72.223 -0.575 -2.989 276 HG13 VAL 58 HG13 VAL 58 71.211 -1.167 -4.307 277 HG21 VAL 58 HG21 VAL 58 70.795 0.215 -1.154 278 HG22 VAL 58 HG22 VAL 58 69.088 -0.203 -1.260 279 HG23 VAL 58 HG23 VAL 58 69.898 0.550 -2.634 280 H THR 59 H THR 59 69.907 -2.943 -5.379 281 HA THR 59 HA THR 59 70.526 -5.708 -4.501 282 HB THR 59 HB THR 59 69.728 -4.762 -7.268 283 HG1 THR 59 HG1 THR 59 67.791 -5.448 -6.735 284 HG21 THR 59 HG21 THR 59 69.367 -7.377 -7.380 285 HG22 THR 59 HG22 THR 59 70.561 -7.386 -6.082 286 HG23 THR 59 HG23 THR 59 70.968 -6.687 -7.650 287 H LYS 60 H LYS 60 72.615 -6.244 -4.600 288 HA LYS 60 HA LYS 60 74.539 -4.468 -5.839 289 HB2 LYS 60 HB2 LYS 60 74.866 -7.092 -4.369 290 HB3 LYS 60 HB3 LYS 60 76.198 -6.075 -4.922 291 HG2 LYS 60 HG2 LYS 60 75.269 -4.196 -3.566 292 HG3 LYS 60 HG3 LYS 60 74.047 -5.301 -2.933 293 HD2 LYS 60 HD2 LYS 60 75.873 -6.791 -2.109 294 HD3 LYS 60 HD3 LYS 60 77.051 -5.589 -2.633 295 HE2 LYS 60 HE2 LYS 60 75.679 -3.931 -1.176 296 HE3 LYS 60 HE3 LYS 60 75.006 -5.381 -0.432 297 HZ1 LYS 60 HZ1 LYS 60 76.948 -5.892 0.550 298 HZ2 LYS 60 HZ2 LYS 60 77.248 -4.228 0.387 299 HZ3 LYS 60 HZ3 LYS 60 77.893 -5.324 -0.739 300 H LYS 61 H LYS 61 76.131 -5.192 -7.406 301 HA LYS 61 HA LYS 61 75.131 -6.565 -9.608 302 HB2 LYS 61 HB2 LYS 61 77.370 -6.582 -10.477 303 HB3 LYS 61 HB3 LYS 61 77.121 -5.069 -9.614 304 HG2 LYS 61 HG2 LYS 61 78.254 -6.070 -7.622 305 HG3 LYS 61 HG3 LYS 61 78.594 -7.511 -8.581 306 HD2 LYS 61 HD2 LYS 61 79.712 -5.950 -10.270 307 HD3 LYS 61 HD3 LYS 61 79.620 -4.702 -9.026 308 HE2 LYS 61 HE2 LYS 61 80.761 -6.428 -7.479 309 HE3 LYS 61 HE3 LYS 61 81.154 -7.298 -8.960 310 HZ1 LYS 61 HZ1 LYS 61 82.518 -5.634 -9.693 311 HZ2 LYS 61 HZ2 LYS 61 82.773 -5.518 -8.018 312 HZ3 LYS 61 HZ3 LYS 61 81.732 -4.426 -8.798 313 H ASP 62 H ASP 62 76.511 -7.886 -6.690 314 HA ASP 62 HA ASP 62 77.042 -10.486 -7.869 315 HB2 ASP 62 HB2 ASP 62 78.447 -9.453 -6.067 316 HB3 ASP 62 HB3 ASP 62 77.102 -9.698 -4.957 317 H SER 63 H SER 63 74.160 -9.223 -7.373 318 HA SER 63 HA SER 63 72.087 -10.152 -7.210 319 HB2 SER 63 HB2 SER 63 73.232 -12.203 -8.197 320 HB3 SER 63 HB3 SER 63 73.324 -12.814 -6.549 321 HG SER 63 HG SER 63 71.016 -12.040 -7.918 322 H ASN 64 H ASN 64 74.258 -10.034 -4.622 323 HA ASN 64 HA ASN 64 72.524 -11.065 -2.583 324 HB2 ASN 64 HB2 ASN 64 74.874 -9.163 -2.435 325 HB3 ASN 64 HB3 ASN 64 74.065 -9.869 -1.038 326 HD21 ASN 64 HD21 ASN 64 76.854 -10.350 -1.658 327 HD22 ASN 64 HD22 ASN 64 77.021 -12.000 -2.023 328 H ARG 65 H ARG 65 70.999 -9.979 -1.359 329 HA ARG 65 HA ARG 65 70.346 -7.232 -2.265 330 HB2 ARG 65 HB2 ARG 65 68.558 -9.412 -1.171 331 HB3 ARG 65 HB3 ARG 65 68.029 -7.776 -1.571 332 HG2 ARG 65 HG2 ARG 65 68.840 -8.125 -3.905 333 HG3 ARG 65 HG3 ARG 65 69.230 -9.795 -3.488 334 HD2 ARG 65 HD2 ARG 65 66.822 -10.098 -2.801 335 HD3 ARG 65 HD3 ARG 65 66.494 -8.498 -3.459 336 HE ARG 65 HE ARG 65 66.496 -9.452 -5.551 337 HH11 ARG 65 HH11 ARG 65 68.372 -11.544 -3.445 338 HH12 ARG 65 HH12 ARG 65 68.622 -12.730 -4.682 339 HH21 ARG 65 HH21 ARG 65 66.852 -11.015 -7.101 340 HH22 ARG 65 HH22 ARG 65 67.772 -12.434 -6.725 341 H TYR 66 H TYR 66 69.818 -5.656 -0.806 342 HA TYR 66 HA TYR 66 69.641 -6.295 2.024 343 HB2 TYR 66 HB2 TYR 66 71.407 -4.893 2.755 344 HB3 TYR 66 HB3 TYR 66 72.070 -5.986 1.561 345 HD1 TYR 66 HD1 TYR 66 71.172 -2.503 2.327 346 HD2 TYR 66 HD2 TYR 66 72.861 -5.155 -0.598 347 HE1 TYR 66 HE1 TYR 66 72.109 -0.559 1.109 348 HE2 TYR 66 HE2 TYR 66 73.796 -3.209 -1.819 349 HH TYR 66 HH TYR 66 74.418 -0.818 -1.209 350 H THR 67 H THR 67 69.070 -4.370 3.327 351 HA THR 67 HA THR 67 67.601 -2.343 1.746 352 HB THR 67 HB THR 67 66.719 -3.556 4.378 353 HG1 THR 67 HG1 THR 67 65.315 -4.666 3.131 354 HG21 THR 67 HG21 THR 67 65.613 -1.470 2.510 355 HG22 THR 67 HG22 THR 67 65.805 -1.394 4.261 356 HG23 THR 67 HG23 THR 67 64.539 -2.399 3.555 357 H THR 68 H THR 68 67.885 -0.256 2.363 358 HA THR 68 HA THR 68 69.413 0.244 4.859 359 HB THR 68 HB THR 68 70.910 0.366 2.905 360 HG1 THR 68 HG1 THR 68 71.751 2.211 3.593 361 HG21 THR 68 HG21 THR 68 69.063 1.108 1.313 362 HG22 THR 68 HG22 THR 68 70.602 1.956 1.152 363 HG23 THR 68 HG23 THR 68 69.254 2.725 1.992 364 H TYR 69 H TYR 69 68.948 2.101 5.982 365 HA TYR 69 HA TYR 69 66.474 3.494 5.168 366 HB2 TYR 69 HB2 TYR 69 67.842 3.392 7.860 367 HB3 TYR 69 HB3 TYR 69 66.308 4.165 7.513 368 HD1 TYR 69 HD1 TYR 69 68.059 0.972 7.999 369 HD2 TYR 69 HD2 TYR 69 64.281 2.839 7.162 370 HE1 TYR 69 HE1 TYR 69 66.894 -1.158 8.505 371 HE2 TYR 69 HE2 TYR 69 63.116 0.708 7.667 372 HH TYR 69 HH TYR 69 64.871 -2.219 8.291 373 H ILE 70 H ILE 70 66.445 5.713 4.875 374 HA ILE 70 HA ILE 70 69.048 7.069 4.949 375 HB ILE 70 HB ILE 70 66.468 8.218 3.895 376 HG12 ILE 70 HG12 ILE 70 68.581 6.763 2.274 377 HG13 ILE 70 HG13 ILE 70 67.050 6.026 2.748 378 HG21 ILE 70 HG21 ILE 70 69.283 8.771 2.982 379 HG22 ILE 70 HG22 ILE 70 68.637 9.565 4.418 380 HG23 ILE 70 HG23 ILE 70 67.855 9.801 2.855 381 HD11 ILE 70 HD11 ILE 70 66.479 6.871 0.663 382 HD12 ILE 70 HD12 ILE 70 67.559 8.257 0.813 383 HD13 ILE 70 HD13 ILE 70 66.028 8.231 1.690 384 HA PRO 71 HA PRO 71 67.486 8.623 9.032 385 HB2 PRO 71 HB2 PRO 71 69.886 10.363 8.608 386 HB3 PRO 71 HB3 PRO 71 69.348 9.522 10.076 387 HG2 PRO 71 HG2 PRO 71 71.353 8.596 8.584 388 HG3 PRO 71 HG3 PRO 71 70.221 7.516 9.417 389 HD2 PRO 71 HD2 PRO 71 70.466 8.081 6.521 390 HD3 PRO 71 HD3 PRO 71 69.778 6.666 7.342 391 H VAL 72 H VAL 72 68.723 10.736 6.428 392 HA VAL 72 HA VAL 72 66.280 12.345 6.680 393 HB VAL 72 HB VAL 72 68.040 13.537 7.936 394 HG11 VAL 72 HG11 VAL 72 70.011 12.672 6.779 395 HG12 VAL 72 HG12 VAL 72 69.997 14.434 6.691 396 HG13 VAL 72 HG13 VAL 72 69.517 13.478 5.289 397 HG21 VAL 72 HG21 VAL 72 67.685 15.660 6.934 398 HG22 VAL 72 HG22 VAL 72 66.284 14.701 6.455 399 HG23 VAL 72 HG23 VAL 72 67.601 14.970 5.313 400 H GLN 73 H GLN 73 65.494 13.116 4.735 401 HA GLN 73 HA GLN 73 66.133 11.649 2.433 402 HB2 GLN 73 HB2 GLN 73 63.962 12.815 2.839 403 HB3 GLN 73 HB3 GLN 73 64.773 14.351 2.528 404 HG2 GLN 73 HG2 GLN 73 65.384 13.603 0.276 405 HG3 GLN 73 HG3 GLN 73 64.643 12.035 0.576 406 HE21 GLN 73 HE21 GLN 73 63.660 13.387 -1.594 407 HE22 GLN 73 HE22 GLN 73 62.129 14.043 -1.263 408 H ASP 74 H ASP 74 67.582 11.899 0.849 409 HA ASP 74 HA ASP 74 69.241 14.357 0.842 410 HB2 ASP 74 HB2 ASP 74 70.168 11.970 1.540 411 HB3 ASP 74 HB3 ASP 74 70.280 11.757 -0.203 412 HA PRO 75 HA PRO 75 67.054 14.185 -3.255 413 HB2 PRO 75 HB2 PRO 75 67.995 17.016 -3.263 414 HB3 PRO 75 HB3 PRO 75 66.399 16.355 -3.672 415 HG2 PRO 75 HG2 PRO 75 66.747 17.628 -1.398 416 HG3 PRO 75 HG3 PRO 75 65.769 16.147 -1.452 417 HD2 PRO 75 HD2 PRO 75 68.604 16.483 -0.496 418 HD3 PRO 75 HD3 PRO 75 67.280 15.532 0.224 419 H LYS 76 H LYS 76 70.238 15.343 -2.353 420 HA LYS 76 HA LYS 76 71.336 15.659 -4.953 421 HB2 LYS 76 HB2 LYS 76 72.361 16.558 -2.865 422 HB3 LYS 76 HB3 LYS 76 72.779 14.908 -2.400 423 HG2 LYS 76 HG2 LYS 76 74.081 14.675 -4.510 424 HG3 LYS 76 HG3 LYS 76 73.727 16.362 -4.887 425 HD2 LYS 76 HD2 LYS 76 74.796 17.016 -2.718 426 HD3 LYS 76 HD3 LYS 76 75.266 15.331 -2.488 427 HE2 LYS 76 HE2 LYS 76 76.041 17.008 -4.890 428 HE3 LYS 76 HE3 LYS 76 77.086 16.713 -3.500 429 HZ1 LYS 76 HZ1 LYS 76 75.990 14.696 -5.378 430 HZ2 LYS 76 HZ2 LYS 76 76.803 14.303 -3.939 431 HZ3 LYS 76 HZ3 LYS 76 77.617 15.133 -5.178 432 H LEU 77 H LEU 77 70.817 12.834 -2.938 433 HA LEU 77 HA LEU 77 72.735 11.114 -4.038 434 HB2 LEU 77 HB2 LEU 77 71.382 10.639 -2.000 435 HB3 LEU 77 HB3 LEU 77 69.980 10.362 -3.034 436 HG LEU 77 HG LEU 77 71.354 8.612 -4.253 437 HD11 LEU 77 HD11 LEU 77 73.243 7.712 -2.704 438 HD12 LEU 77 HD12 LEU 77 73.223 9.328 -2.001 439 HD13 LEU 77 HD13 LEU 77 73.590 9.116 -3.712 440 HD21 LEU 77 HD21 LEU 77 69.657 8.131 -2.440 441 HD22 LEU 77 HD22 LEU 77 70.990 8.095 -1.287 442 HD23 LEU 77 HD23 LEU 77 70.919 6.910 -2.592 443 H LEU 78 H LEU 78 69.503 11.992 -5.180 444 HA LEU 78 HA LEU 78 69.166 9.933 -7.072 445 HB2 LEU 78 HB2 LEU 78 68.171 12.791 -7.213 446 HB3 LEU 78 HB3 LEU 78 67.547 11.433 -8.147 447 HG LEU 78 HG LEU 78 67.536 11.597 -5.119 448 HD11 LEU 78 HD11 LEU 78 65.310 11.960 -7.150 449 HD12 LEU 78 HD12 LEU 78 65.989 13.221 -6.121 450 HD13 LEU 78 HD13 LEU 78 65.085 11.888 -5.402 451 HD21 LEU 78 HD21 LEU 78 65.790 9.687 -5.611 452 HD22 LEU 78 HD22 LEU 78 67.511 9.308 -5.618 453 HD23 LEU 78 HD23 LEU 78 66.656 9.549 -7.141 454 H ASP 79 H ASP 79 70.569 13.181 -7.398 455 HA ASP 79 HA ASP 79 71.087 13.030 -10.167 456 HB2 ASP 79 HB2 ASP 79 72.481 14.629 -8.009 457 HB3 ASP 79 HB3 ASP 79 72.708 14.875 -9.737 458 H ASN 80 H ASN 80 73.061 12.136 -7.358 459 HA ASN 80 HA ASN 80 75.458 11.625 -8.721 460 HB2 ASN 80 HB2 ASN 80 75.048 11.698 -6.200 461 HB3 ASN 80 HB3 ASN 80 74.483 10.036 -6.349 462 HD21 ASN 80 HD21 ASN 80 76.103 8.533 -5.970 463 HD22 ASN 80 HD22 ASN 80 77.753 8.774 -6.289 464 H LEU 81 H LEU 81 72.797 9.379 -7.907 465 HA LEU 81 HA LEU 81 73.963 7.067 -8.997 466 HB2 LEU 81 HB2 LEU 81 71.023 7.772 -8.816 467 HB3 LEU 81 HB3 LEU 81 71.685 6.156 -9.051 468 HG LEU 81 HG LEU 81 72.250 7.916 -6.647 469 HD11 LEU 81 HD11 LEU 81 69.943 7.212 -6.570 470 HD12 LEU 81 HD12 LEU 81 70.846 6.174 -5.466 471 HD13 LEU 81 HD13 LEU 81 70.374 5.571 -7.054 472 HD21 LEU 81 HD21 LEU 81 74.086 6.426 -6.943 473 HD22 LEU 81 HD22 LEU 81 73.029 5.099 -7.428 474 HD23 LEU 81 HD23 LEU 81 73.050 5.642 -5.750 475 H LEU 82 H LEU 82 72.091 9.654 -10.542 476 HA LEU 82 HA LEU 82 71.760 8.266 -13.016 477 HB2 LEU 82 HB2 LEU 82 71.769 11.247 -12.459 478 HB3 LEU 82 HB3 LEU 82 71.232 10.497 -13.961 479 HG LEU 82 HG LEU 82 70.030 9.922 -11.236 480 HD11 LEU 82 HD11 LEU 82 68.060 11.187 -12.262 481 HD12 LEU 82 HD12 LEU 82 69.190 11.757 -13.491 482 HD13 LEU 82 HD13 LEU 82 69.446 12.174 -11.797 483 HD21 LEU 82 HD21 LEU 82 69.681 8.045 -12.673 484 HD22 LEU 82 HD22 LEU 82 69.369 9.079 -14.067 485 HD23 LEU 82 HD23 LEU 82 68.190 8.982 -12.758 486 H THR 83 H THR 83 74.222 10.596 -11.899 487 HA THR 83 HA THR 83 75.662 10.753 -14.298 488 HB THR 83 HB THR 83 76.812 10.844 -11.501 489 HG1 THR 83 HG1 THR 83 75.192 12.304 -11.655 490 HG21 THR 83 HG21 THR 83 78.449 10.733 -13.376 491 HG22 THR 83 HG22 THR 83 78.504 12.276 -12.523 492 HG23 THR 83 HG23 THR 83 77.694 12.161 -14.085 493 H LYS 84 H LYS 84 75.692 8.284 -11.791 494 HA LYS 84 HA LYS 84 77.992 6.927 -12.919 495 HB2 LYS 84 HB2 LYS 84 76.093 6.158 -10.699 496 HB3 LYS 84 HB3 LYS 84 77.490 5.197 -11.190 497 HG2 LYS 84 HG2 LYS 84 78.993 7.054 -10.689 498 HG3 LYS 84 HG3 LYS 84 77.620 8.086 -10.284 499 HD2 LYS 84 HD2 LYS 84 78.532 7.249 -8.213 500 HD3 LYS 84 HD3 LYS 84 77.001 6.423 -8.492 501 HE2 LYS 84 HE2 LYS 84 79.441 5.108 -9.599 502 HE3 LYS 84 HE3 LYS 84 79.255 5.106 -7.849 503 HZ1 LYS 84 HZ1 LYS 84 76.799 4.440 -8.586 504 HZ2 LYS 84 HZ2 LYS 84 78.020 3.298 -8.286 505 HZ3 LYS 84 HZ3 LYS 84 77.668 3.770 -9.879 506 H ASN 85 H ASN 85 74.893 7.090 -14.036 507 HA ASN 85 HA ASN 85 73.565 5.771 -15.333 508 HB2 ASN 85 HB2 ASN 85 76.161 4.286 -15.801 509 HB3 ASN 85 HB3 ASN 85 74.695 4.102 -16.754 510 HD21 ASN 85 HD21 ASN 85 77.231 5.062 -17.829 511 HD22 ASN 85 HD22 ASN 85 76.980 6.658 -18.348 512 H VAL 86 H VAL 86 73.543 5.225 -12.579 513 HA VAL 86 HA VAL 86 73.389 2.304 -12.379 514 HB VAL 86 HB VAL 86 72.897 4.436 -10.280 515 HG11 VAL 86 HG11 VAL 86 73.248 1.428 -10.098 516 HG12 VAL 86 HG12 VAL 86 71.774 2.331 -9.745 517 HG13 VAL 86 HG13 VAL 86 73.191 2.516 -8.713 518 HG21 VAL 86 HG21 VAL 86 75.248 4.304 -11.221 519 HG22 VAL 86 HG22 VAL 86 75.311 2.639 -10.645 520 HG23 VAL 86 HG23 VAL 86 75.128 3.964 -9.496 521 H LYS 87 H LYS 87 71.426 1.201 -11.996 522 HA LYS 87 HA LYS 87 69.181 2.359 -13.342 523 HB2 LYS 87 HB2 LYS 87 69.696 -0.087 -13.342 524 HB3 LYS 87 HB3 LYS 87 69.271 -0.140 -11.633 525 HG2 LYS 87 HG2 LYS 87 67.299 -0.808 -12.779 526 HG3 LYS 87 HG3 LYS 87 67.014 0.870 -12.319 527 HD2 LYS 87 HD2 LYS 87 67.645 1.624 -14.561 528 HD3 LYS 87 HD3 LYS 87 68.028 -0.033 -15.032 529 HE2 LYS 87 HE2 LYS 87 65.727 -0.710 -14.795 530 HE3 LYS 87 HE3 LYS 87 65.294 0.836 -14.067 531 HZ1 LYS 87 HZ1 LYS 87 64.788 0.521 -16.518 532 HZ2 LYS 87 HZ2 LYS 87 66.461 0.667 -16.776 533 HZ3 LYS 87 HZ3 LYS 87 65.591 1.948 -16.078 534 H VAL 88 H VAL 88 67.381 3.326 -12.534 535 HA VAL 88 HA VAL 88 67.150 3.547 -9.590 536 HB VAL 88 HB VAL 88 66.800 5.840 -11.542 537 HG11 VAL 88 HG11 VAL 88 66.591 7.197 -9.506 538 HG12 VAL 88 HG12 VAL 88 66.793 5.756 -8.508 539 HG13 VAL 88 HG13 VAL 88 65.361 5.933 -9.522 540 HG21 VAL 88 HG21 VAL 88 69.076 4.986 -9.766 541 HG22 VAL 88 HG22 VAL 88 68.818 6.697 -10.107 542 HG23 VAL 88 HG23 VAL 88 69.127 5.572 -11.429 543 H VAL 89 H VAL 89 65.192 3.180 -8.835 544 HA VAL 89 HA VAL 89 62.872 3.379 -10.679 545 HB VAL 89 HB VAL 89 63.162 1.442 -8.367 546 HG11 VAL 89 HG11 VAL 89 61.116 1.726 -10.586 547 HG12 VAL 89 HG12 VAL 89 60.856 2.064 -8.875 548 HG13 VAL 89 HG13 VAL 89 61.154 0.411 -9.411 549 HG21 VAL 89 HG21 VAL 89 63.750 1.165 -11.303 550 HG22 VAL 89 HG22 VAL 89 63.133 -0.223 -10.405 551 HG23 VAL 89 HG23 VAL 89 64.649 0.537 -9.921 552 H GLY 90 H GLY 90 61.227 4.662 -9.960 553 HA2 GLY 90 HA2 GLY 90 61.366 5.599 -7.142 554 HA3 GLY 90 HA3 GLY 90 60.878 6.623 -8.488 555 H GLU 91 H GLU 91 59.656 5.157 -5.910 556 HA GLU 91 HA GLU 91 56.981 5.233 -7.036 557 HB2 GLU 91 HB2 GLU 91 58.236 2.702 -5.995 558 HB3 GLU 91 HB3 GLU 91 56.498 2.966 -5.849 559 HG2 GLU 91 HG2 GLU 91 56.554 3.528 -8.363 560 HG3 GLU 91 HG3 GLU 91 58.157 2.792 -8.363 561 HA PRO 92 HA PRO 92 57.589 7.006 -2.783 562 HB2 PRO 92 HB2 PRO 92 55.599 8.939 -3.128 563 HB3 PRO 92 HB3 PRO 92 57.333 9.185 -3.396 564 HG2 PRO 92 HG2 PRO 92 55.180 8.635 -5.360 565 HG3 PRO 92 HG3 PRO 92 56.609 9.675 -5.503 566 HD2 PRO 92 HD2 PRO 92 56.510 7.251 -6.689 567 HD3 PRO 92 HD3 PRO 92 58.025 7.907 -6.027 568 HA PRO 93 HA PRO 93 54.232 4.576 -1.095 569 HB2 PRO 93 HB2 PRO 93 54.053 6.645 1.056 570 HB3 PRO 93 HB3 PRO 93 54.216 4.881 1.195 571 HG2 PRO 93 HG2 PRO 93 56.285 6.433 1.668 572 HG3 PRO 93 HG3 PRO 93 56.490 4.925 0.752 573 HD2 PRO 93 HD2 PRO 93 56.390 7.746 -0.280 574 HD3 PRO 93 HD3 PRO 93 57.428 6.393 -0.789 575 H GLU 94 H GLU 94 52.019 4.532 -1.263 576 HA GLU 94 HA GLU 94 50.673 7.070 -1.963 577 HB2 GLU 94 HB2 GLU 94 50.693 5.104 -3.600 578 HB3 GLU 94 HB3 GLU 94 49.630 4.278 -2.461 579 HG2 GLU 94 HG2 GLU 94 48.048 6.206 -2.596 580 HG3 GLU 94 HG3 GLU 94 49.092 6.940 -3.804 581 H GLU 95 H GLU 95 51.173 6.722 0.685 582 HA GLU 95 HA GLU 95 48.486 6.161 1.781 583 HB2 GLU 95 HB2 GLU 95 51.156 5.316 2.922 584 HB3 GLU 95 HB3 GLU 95 49.654 5.305 3.847 585 HG2 GLU 95 HG2 GLU 95 50.062 3.831 1.230 586 HG3 GLU 95 HG3 GLU 95 50.183 3.085 2.824 587 HA PRO 96 HA PRO 96 49.956 10.477 2.803 588 HB2 PRO 96 HB2 PRO 96 47.394 11.530 2.857 589 HB3 PRO 96 HB3 PRO 96 48.452 11.509 1.434 590 HG2 PRO 96 HG2 PRO 96 46.246 9.645 2.171 591 HG3 PRO 96 HG3 PRO 96 46.657 10.345 0.590 592 HD2 PRO 96 HD2 PRO 96 47.337 7.815 1.168 593 HD3 PRO 96 HD3 PRO 96 48.432 8.861 0.235 594 H LEU 97 H LEU 97 47.826 8.192 4.280 595 HA LEU 97 HA LEU 97 46.842 9.594 6.477 596 HB2 LEU 97 HB2 LEU 97 46.166 7.294 5.797 597 HB3 LEU 97 HB3 LEU 97 47.701 6.694 6.425 598 HG LEU 97 HG LEU 97 47.083 7.757 8.648 599 HD11 LEU 97 HD11 LEU 97 44.548 8.058 8.893 600 HD12 LEU 97 HD12 LEU 97 44.490 8.105 7.130 601 HD13 LEU 97 HD13 LEU 97 45.403 9.327 8.016 602 HD21 LEU 97 HD21 LEU 97 45.352 5.948 9.151 603 HD22 LEU 97 HD22 LEU 97 46.864 5.381 8.439 604 HD23 LEU 97 HD23 LEU 97 45.421 5.536 7.437 605 H GLU 98 H GLU 98 50.004 8.070 6.000 606 HA GLU 98 HA GLU 98 50.834 8.094 8.683 607 HB2 GLU 98 HB2 GLU 98 53.078 7.781 7.840 608 HB3 GLU 98 HB3 GLU 98 51.956 6.823 6.880 609 HG2 GLU 98 HG2 GLU 98 51.921 8.672 5.185 610 HG3 GLU 98 HG3 GLU 98 53.159 9.497 6.119 611 H HIS 99 H HIS 99 50.789 10.663 6.299 612 HA HIS 99 HA HIS 99 52.679 12.396 7.428 613 HB2 HIS 99 HB2 HIS 99 51.648 12.687 5.202 614 HB3 HIS 99 HB3 HIS 99 50.131 13.111 5.975 615 HD1 HIS 99 HD1 HIS 99 53.751 14.335 6.034 616 HD2 HIS 99 HD2 HIS 99 49.869 15.835 6.268 617 HE1 HIS 99 HE1 HIS 99 53.964 16.854 6.158 618 H HIS 100 H HIS 100 49.286 11.856 8.246 619 HA HIS 100 HA HIS 100 48.801 14.155 9.749 620 HB2 HIS 100 HB2 HIS 100 47.725 11.361 10.088 621 HB3 HIS 100 HB3 HIS 100 47.094 12.765 10.927 622 HD1 HIS 100 HD1 HIS 100 47.284 11.168 7.534 623 HD2 HIS 100 HD2 HIS 100 45.486 14.473 9.326 624 HE1 HIS 100 HE1 HIS 100 45.614 12.068 5.859 625 H HIS 101 H HIS 101 50.581 11.253 10.641 626 HA HIS 101 HA HIS 101 50.518 11.483 13.424 627 HB2 HIS 101 HB2 HIS 101 52.660 10.456 11.573 628 HB3 HIS 101 HB3 HIS 101 52.777 10.345 13.319 629 HD1 HIS 101 HD1 HIS 101 50.808 9.026 10.389 630 HD2 HIS 101 HD2 HIS 101 51.197 8.313 14.477 631 HE1 HIS 101 HE1 HIS 101 49.563 6.873 10.860 632 H HIS 102 H HIS 102 52.548 13.155 11.055 633 HA HIS 102 HA HIS 102 54.387 14.346 12.782 634 HB2 HIS 102 HB2 HIS 102 53.157 15.387 10.232 635 HB3 HIS 102 HB3 HIS 102 54.502 16.158 11.051 636 HD1 HIS 102 HD1 HIS 102 53.605 13.199 8.949 637 HD2 HIS 102 HD2 HIS 102 56.987 14.758 10.821 638 HE1 HIS 102 HE1 HIS 102 55.585 11.928 8.020 639 H HIS 103 H HIS 103 51.069 15.291 12.006 640 HA HIS 103 HA HIS 103 51.045 17.852 13.122 641 HB2 HIS 103 HB2 HIS 103 49.212 16.890 11.789 642 HB3 HIS 103 HB3 HIS 103 48.826 15.806 13.112 643 HD1 HIS 103 HD1 HIS 103 49.159 19.578 12.591 644 HD2 HIS 103 HD2 HIS 103 46.842 16.839 14.713 645 HE1 HIS 103 HE1 HIS 103 47.400 20.926 13.815 646 H HIS 104 H HIS 104 50.851 14.701 14.694 647 HA HIS 104 HA HIS 104 50.242 15.910 17.280 648 HB2 HIS 104 HB2 HIS 104 49.226 13.751 16.591 649 HB3 HIS 104 HB3 HIS 104 50.825 13.034 16.568 650 HD1 HIS 104 HD1 HIS 104 48.632 14.911 19.071 651 HD2 HIS 104 HD2 HIS 104 51.423 11.816 18.962 652 HE1 HIS 104 HE1 HIS 104 48.780 13.998 21.427 Start of MODEL 18 1 H1 MET 23 HT1 MET 23 63.958 -15.277 0.050 2 H2 MET 23 HT2 MET 23 63.853 -13.584 -0.027 3 H3 MET 23 HT3 MET 23 65.297 -14.367 -0.455 4 HA MET 23 HA MET 23 64.217 -13.713 -2.456 5 HB2 MET 23 HB2 MET 23 63.848 -16.669 -1.878 6 HB3 MET 23 HB3 MET 23 63.860 -15.947 -3.488 7 HG2 MET 23 HG2 MET 23 66.155 -15.043 -2.990 8 HG3 MET 23 HG3 MET 23 66.138 -15.972 -1.491 9 HE1 MET 23 HE1 MET 23 66.181 -15.789 -5.183 10 HE2 MET 23 HE2 MET 23 64.785 -16.865 -5.199 11 HE3 MET 23 HE3 MET 23 66.338 -17.437 -5.808 12 H ALA 24 H ALA 24 62.116 -15.663 -0.356 13 HA ALA 24 HA ALA 24 59.760 -15.443 -1.884 14 HB1 ALA 24 HB1 ALA 24 60.331 -15.982 1.014 15 HB2 ALA 24 HB2 ALA 24 59.665 -17.064 -0.209 16 HB3 ALA 24 HB3 ALA 24 58.670 -15.772 0.462 17 H SER 25 H SER 25 61.165 -13.317 0.573 18 HA SER 25 HA SER 25 59.007 -11.354 0.025 19 HB2 SER 25 HB2 SER 25 59.396 -10.470 2.263 20 HB3 SER 25 HB3 SER 25 59.037 -12.190 2.355 21 HG SER 25 HG SER 25 60.855 -11.752 3.549 22 H GLU 26 H GLU 26 59.563 -9.348 -0.621 23 HA GLU 26 HA GLU 26 62.194 -8.841 -1.587 24 HB2 GLU 26 HB2 GLU 26 59.840 -6.984 -1.180 25 HB3 GLU 26 HB3 GLU 26 61.315 -6.562 -2.051 26 HG2 GLU 26 HG2 GLU 26 60.915 -8.471 -3.595 27 HG3 GLU 26 HG3 GLU 26 59.406 -8.806 -2.759 28 H SER 27 H SER 27 60.437 -7.876 1.324 29 HA SER 27 HA SER 27 62.130 -5.855 2.243 30 HB2 SER 27 HB2 SER 27 60.607 -7.868 3.910 31 HB3 SER 27 HB3 SER 27 61.203 -6.302 4.451 32 HG SER 27 HG SER 27 59.708 -5.368 3.225 33 H ASN 28 H ASN 28 62.562 -9.343 2.341 34 HA ASN 28 HA ASN 28 64.478 -9.552 4.365 35 HB2 ASN 28 HB2 ASN 28 63.344 -11.439 3.103 36 HB3 ASN 28 HB3 ASN 28 64.502 -11.155 1.805 37 HD21 ASN 28 HD21 ASN 28 65.455 -13.313 2.211 38 HD22 ASN 28 HD22 ASN 28 66.467 -13.562 3.550 39 H GLY 29 H GLY 29 66.691 -9.359 4.431 40 HA2 GLY 29 HA2 GLY 29 68.607 -9.244 2.568 41 HA3 GLY 29 HA3 GLY 29 67.887 -7.644 2.402 42 H ARG 30 H ARG 30 70.573 -8.217 3.222 43 HA ARG 30 HA ARG 30 70.954 -8.105 6.026 44 HB2 ARG 30 HB2 ARG 30 72.685 -7.027 3.786 45 HB3 ARG 30 HB3 ARG 30 73.199 -7.199 5.465 46 HG2 ARG 30 HG2 ARG 30 72.697 -9.640 5.330 47 HG3 ARG 30 HG3 ARG 30 72.315 -9.437 3.620 48 HD2 ARG 30 HD2 ARG 30 74.625 -8.481 3.299 49 HD3 ARG 30 HD3 ARG 30 74.981 -8.935 4.963 50 HE ARG 30 HE ARG 30 74.676 -10.729 2.687 51 HH11 ARG 30 HH11 ARG 30 74.882 -10.467 6.182 52 HH12 ARG 30 HH12 ARG 30 75.329 -12.128 6.380 53 HH21 ARG 30 HH21 ARG 30 75.254 -12.860 3.005 54 HH22 ARG 30 HH22 ARG 30 75.537 -13.465 4.603 55 H LYS 31 H LYS 31 71.257 -6.347 7.437 56 HA LYS 31 HA LYS 31 69.903 -3.890 6.672 57 HB2 LYS 31 HB2 LYS 31 71.381 -4.550 9.235 58 HB3 LYS 31 HB3 LYS 31 70.283 -3.195 8.981 59 HG2 LYS 31 HG2 LYS 31 69.500 -6.117 8.762 60 HG3 LYS 31 HG3 LYS 31 69.185 -5.094 10.163 61 HD2 LYS 31 HD2 LYS 31 67.914 -3.535 8.651 62 HD3 LYS 31 HD3 LYS 31 68.102 -4.720 7.357 63 HE2 LYS 31 HE2 LYS 31 65.966 -5.156 8.341 64 HE3 LYS 31 HE3 LYS 31 67.044 -6.422 8.927 65 HZ1 LYS 31 HZ1 LYS 31 66.728 -3.934 10.466 66 HZ2 LYS 31 HZ2 LYS 31 67.169 -5.483 11.006 67 HZ3 LYS 31 HZ3 LYS 31 65.555 -5.154 10.590 68 H VAL 32 H VAL 32 70.847 -2.003 6.079 69 HA VAL 32 HA VAL 32 73.776 -1.748 6.394 70 HB VAL 32 HB VAL 32 72.228 -1.146 3.861 71 HG11 VAL 32 HG11 VAL 32 75.194 -1.007 4.492 72 HG12 VAL 32 HG12 VAL 32 74.135 0.378 4.222 73 HG13 VAL 32 HG13 VAL 32 74.474 -0.744 2.904 74 HG21 VAL 32 HG21 VAL 32 74.104 -3.385 4.661 75 HG22 VAL 32 HG22 VAL 32 73.754 -2.998 2.977 76 HG23 VAL 32 HG23 VAL 32 72.456 -3.522 4.050 77 H ASP 33 H ASP 33 74.423 0.126 7.151 78 HA ASP 33 HA ASP 33 72.629 2.270 7.757 79 HB2 ASP 33 HB2 ASP 33 75.649 2.078 7.855 80 HB3 ASP 33 HB3 ASP 33 74.715 3.416 8.514 81 H TYR 34 H TYR 34 72.567 4.369 6.854 82 HA TYR 34 HA TYR 34 72.716 4.606 4.088 83 HB2 TYR 34 HB2 TYR 34 71.414 6.130 5.423 84 HB3 TYR 34 HB3 TYR 34 72.843 6.704 6.254 85 HD1 TYR 34 HD1 TYR 34 72.235 6.175 2.591 86 HD2 TYR 34 HD2 TYR 34 72.987 8.981 5.755 87 HE1 TYR 34 HE1 TYR 34 72.495 7.993 0.923 88 HE2 TYR 34 HE2 TYR 34 73.231 10.799 4.086 89 HH TYR 34 HH TYR 34 72.592 11.250 1.756 90 H SER 35 H SER 35 75.185 5.390 6.524 91 HA SER 35 HA SER 35 77.003 6.709 4.839 92 HB2 SER 35 HB2 SER 35 77.657 4.921 7.195 93 HB3 SER 35 HB3 SER 35 78.689 6.170 6.507 94 HG SER 35 HG SER 35 76.920 6.482 8.336 95 H THR 36 H THR 36 76.566 3.264 5.548 96 HA THR 36 HA THR 36 78.889 2.374 4.158 97 HB THR 36 HB THR 36 76.340 0.835 4.705 98 HG1 THR 36 HG1 THR 36 76.992 0.947 6.663 99 HG21 THR 36 HG21 THR 36 77.774 -0.304 3.122 100 HG22 THR 36 HG22 THR 36 77.940 -1.102 4.686 101 HG23 THR 36 HG23 THR 36 79.193 0.003 4.123 102 H PHE 37 H PHE 37 75.498 2.798 3.205 103 HA PHE 37 HA PHE 37 75.649 1.651 0.664 104 HB2 PHE 37 HB2 PHE 37 73.535 2.283 1.658 105 HB3 PHE 37 HB3 PHE 37 73.992 3.974 1.651 106 HD1 PHE 37 HD2 PHE 37 72.841 1.131 -0.397 107 HD2 PHE 37 HD1 PHE 37 73.944 5.283 -0.399 108 HE1 PHE 37 HE2 PHE 37 71.838 1.401 -2.651 109 HE2 PHE 37 HE1 PHE 37 72.943 5.550 -2.652 110 HZ PHE 37 HZ PHE 37 71.888 3.608 -3.776 111 H LEU 38 H LEU 38 76.378 4.994 1.677 112 HA LEU 38 HA LEU 38 76.788 6.041 -0.896 113 HB2 LEU 38 HB2 LEU 38 78.102 6.843 1.712 114 HB3 LEU 38 HB3 LEU 38 78.079 7.814 0.239 115 HG LEU 38 HG LEU 38 75.583 6.848 1.662 116 HD11 LEU 38 HD11 LEU 38 77.228 9.346 1.933 117 HD12 LEU 38 HD12 LEU 38 76.424 8.399 3.186 118 HD13 LEU 38 HD13 LEU 38 75.477 9.440 2.124 119 HD21 LEU 38 HD21 LEU 38 76.154 8.653 -0.690 120 HD22 LEU 38 HD22 LEU 38 74.653 8.799 0.224 121 HD23 LEU 38 HD23 LEU 38 75.042 7.288 -0.598 122 H GLN 39 H GLN 39 79.040 4.453 1.338 123 HA GLN 39 HA GLN 39 81.374 4.827 -0.206 124 HB2 GLN 39 HB2 GLN 39 81.319 4.021 2.166 125 HB3 GLN 39 HB3 GLN 39 80.748 2.460 1.573 126 HG2 GLN 39 HG2 GLN 39 83.105 2.219 1.775 127 HG3 GLN 39 HG3 GLN 39 82.812 2.454 0.053 128 HE21 GLN 39 HE21 GLN 39 84.147 3.998 -0.888 129 HE22 GLN 39 HE22 GLN 39 84.868 5.295 -0.063 130 H GLU 40 H GLU 40 78.952 2.239 -0.241 131 HA GLU 40 HA GLU 40 80.274 0.550 -2.060 132 HB2 GLU 40 HB2 GLU 40 77.330 0.881 -1.465 133 HB3 GLU 40 HB3 GLU 40 78.015 -0.445 -2.409 134 HG2 GLU 40 HG2 GLU 40 79.464 -1.043 -0.489 135 HG3 GLU 40 HG3 GLU 40 78.727 0.243 0.456 136 H VAL 41 H VAL 41 77.955 3.184 -2.600 137 HA VAL 41 HA VAL 41 77.704 2.942 -5.376 138 HB VAL 41 HB VAL 41 77.704 5.462 -3.691 139 HG11 VAL 41 HG11 VAL 41 76.642 4.884 -6.472 140 HG12 VAL 41 HG12 VAL 41 77.918 6.026 -6.047 141 HG13 VAL 41 HG13 VAL 41 76.255 6.334 -5.544 142 HG21 VAL 41 HG21 VAL 41 76.075 3.544 -3.123 143 HG22 VAL 41 HG22 VAL 41 75.326 3.885 -4.682 144 HG23 VAL 41 HG23 VAL 41 75.367 5.128 -3.433 145 H ASN 42 H ASN 42 80.044 4.846 -3.463 146 HA ASN 42 HA ASN 42 81.591 5.816 -5.589 147 HB2 ASN 42 HB2 ASN 42 82.433 5.057 -2.785 148 HB3 ASN 42 HB3 ASN 42 83.404 6.010 -3.905 149 HD21 ASN 42 HD21 ASN 42 81.560 6.499 -1.271 150 HD22 ASN 42 HD22 ASN 42 80.850 7.990 -1.660 151 H ASN 43 H ASN 43 81.551 2.664 -4.058 152 HA ASN 43 HA ASN 43 83.977 1.767 -5.366 153 HB2 ASN 43 HB2 ASN 43 81.925 0.335 -3.676 154 HB3 ASN 43 HB3 ASN 43 83.379 -0.422 -4.316 155 HD21 ASN 43 HD21 ASN 43 82.860 -0.126 -1.478 156 HD22 ASN 43 HD22 ASN 43 84.040 0.919 -0.848 157 H ASP 44 H ASP 44 81.077 2.340 -6.697 158 HA ASP 44 HA ASP 44 79.949 1.595 -8.531 159 HB2 ASP 44 HB2 ASP 44 82.193 2.242 -9.420 160 HB3 ASP 44 HB3 ASP 44 82.674 0.551 -9.311 161 H GLN 45 H GLN 45 79.876 -0.295 -6.322 162 HA GLN 45 HA GLN 45 79.705 -2.836 -7.844 163 HB2 GLN 45 HB2 GLN 45 80.113 -2.223 -4.930 164 HB3 GLN 45 HB3 GLN 45 79.574 -3.818 -5.469 165 HG2 GLN 45 HG2 GLN 45 81.512 -4.120 -6.832 166 HG3 GLN 45 HG3 GLN 45 81.984 -2.438 -6.659 167 HE21 GLN 45 HE21 GLN 45 83.593 -2.115 -5.234 168 HE22 GLN 45 HE22 GLN 45 83.966 -3.091 -3.887 169 H VAL 46 H VAL 46 77.690 -0.424 -6.449 170 HA VAL 46 HA VAL 46 75.411 -2.186 -6.104 171 HB VAL 46 HB VAL 46 75.513 0.844 -6.237 172 HG11 VAL 46 HG11 VAL 46 73.366 0.491 -4.839 173 HG12 VAL 46 HG12 VAL 46 73.395 -1.161 -5.458 174 HG13 VAL 46 HG13 VAL 46 73.262 0.198 -6.575 175 HG21 VAL 46 HG21 VAL 46 76.857 0.193 -4.378 176 HG22 VAL 46 HG22 VAL 46 75.763 -1.124 -3.953 177 HG23 VAL 46 HG23 VAL 46 75.270 0.550 -3.696 178 H ARG 47 H ARG 47 73.766 -2.546 -7.547 179 HA ARG 47 HA ARG 47 74.298 -1.653 -10.311 180 HB2 ARG 47 HB2 ARG 47 74.281 -4.099 -9.831 181 HB3 ARG 47 HB3 ARG 47 72.598 -3.955 -9.328 182 HG2 ARG 47 HG2 ARG 47 72.022 -3.068 -11.575 183 HG3 ARG 47 HG3 ARG 47 73.699 -3.298 -12.076 184 HD2 ARG 47 HD2 ARG 47 73.489 -5.723 -11.526 185 HD3 ARG 47 HD3 ARG 47 71.786 -5.462 -11.158 186 HE ARG 47 HE ARG 47 72.087 -4.463 -13.692 187 HH11 ARG 47 HH11 ARG 47 72.778 -7.579 -12.231 188 HH12 ARG 47 HH12 ARG 47 72.516 -8.443 -13.709 189 HH21 ARG 47 HH21 ARG 47 71.762 -5.628 -15.565 190 HH22 ARG 47 HH22 ARG 47 71.948 -7.350 -15.573 191 H GLU 48 H GLU 48 71.644 -2.180 -8.000 192 HA GLU 48 HA GLU 48 70.010 -0.219 -9.493 193 HB2 GLU 48 HB2 GLU 48 69.375 -2.543 -10.134 194 HB3 GLU 48 HB3 GLU 48 69.009 -2.874 -8.440 195 HG2 GLU 48 HG2 GLU 48 67.368 -1.015 -8.455 196 HG3 GLU 48 HG3 GLU 48 67.690 -0.758 -10.165 197 H ALA 49 H ALA 49 68.752 1.102 -8.263 198 HA ALA 49 HA ALA 49 68.444 0.478 -5.395 199 HB1 ALA 49 HB1 ALA 49 68.679 3.038 -5.070 200 HB2 ALA 49 HB2 ALA 49 69.491 3.013 -6.635 201 HB3 ALA 49 HB3 ALA 49 70.149 2.087 -5.286 202 H ARG 50 H ARG 50 66.360 0.266 -5.045 203 HA ARG 50 HA ARG 50 64.392 1.841 -6.544 204 HB2 ARG 50 HB2 ARG 50 64.115 -0.411 -4.536 205 HB3 ARG 50 HB3 ARG 50 62.753 0.406 -5.295 206 HG2 ARG 50 HG2 ARG 50 63.666 -0.241 -7.532 207 HG3 ARG 50 HG3 ARG 50 64.940 -1.146 -6.713 208 HD2 ARG 50 HD2 ARG 50 63.141 -2.454 -5.528 209 HD3 ARG 50 HD3 ARG 50 61.959 -1.651 -6.556 210 HE ARG 50 HE ARG 50 64.112 -2.955 -7.994 211 HH11 ARG 50 HH11 ARG 50 60.892 -3.363 -6.657 212 HH12 ARG 50 HH12 ARG 50 60.519 -4.694 -7.701 213 HH21 ARG 50 HH21 ARG 50 63.574 -4.674 -9.311 214 HH22 ARG 50 HH22 ARG 50 62.019 -5.426 -9.185 215 H ILE 51 H ILE 51 63.261 3.502 -5.640 216 HA ILE 51 HA ILE 51 63.853 4.184 -2.822 217 HB ILE 51 HB ILE 51 63.021 5.962 -5.133 218 HG12 ILE 51 HG12 ILE 51 65.676 5.806 -3.681 219 HG13 ILE 51 HG13 ILE 51 65.356 4.988 -5.211 220 HG21 ILE 51 HG21 ILE 51 63.794 6.602 -2.270 221 HG22 ILE 51 HG22 ILE 51 62.220 6.867 -3.023 222 HG23 ILE 51 HG23 ILE 51 63.618 7.806 -3.549 223 HD11 ILE 51 HD11 ILE 51 66.394 7.085 -5.752 224 HD12 ILE 51 HD12 ILE 51 65.311 7.967 -4.675 225 HD13 ILE 51 HD13 ILE 51 64.685 7.243 -6.156 226 H ASN 52 H ASN 52 62.247 4.061 -1.415 227 HA ASN 52 HA ASN 52 59.503 4.684 -2.254 228 HB2 ASN 52 HB2 ASN 52 59.852 2.173 -2.212 229 HB3 ASN 52 HB3 ASN 52 60.158 2.321 -0.484 230 HD21 ASN 52 HD21 ASN 52 58.167 0.983 -0.154 231 HD22 ASN 52 HD22 ASN 52 56.642 1.721 -0.266 232 H GLY 53 H GLY 53 59.460 6.607 -1.137 233 HA2 GLY 53 HA2 GLY 53 59.327 8.032 0.667 234 HA3 GLY 53 HA3 GLY 53 59.028 6.600 1.649 235 H ARG 54 H ARG 54 60.378 6.664 3.337 236 HA ARG 54 HA ARG 54 63.028 7.825 3.141 237 HB2 ARG 54 HB2 ARG 54 61.452 7.925 5.174 238 HB3 ARG 54 HB3 ARG 54 61.970 6.269 5.489 239 HG2 ARG 54 HG2 ARG 54 64.326 7.009 5.527 240 HG3 ARG 54 HG3 ARG 54 63.807 8.666 5.219 241 HD2 ARG 54 HD2 ARG 54 64.162 8.469 7.581 242 HD3 ARG 54 HD3 ARG 54 62.422 8.520 7.329 243 HE ARG 54 HE ARG 54 64.013 6.194 8.138 244 HH11 ARG 54 HH11 ARG 54 60.846 7.410 7.207 245 HH12 ARG 54 HH12 ARG 54 60.020 6.068 7.920 246 HH21 ARG 54 HH21 ARG 54 62.884 4.493 9.026 247 HH22 ARG 54 HH22 ARG 54 61.155 4.439 8.932 248 H GLU 55 H GLU 55 61.776 4.700 2.515 249 HA GLU 55 HA GLU 55 64.242 3.353 3.383 250 HB2 GLU 55 HB2 GLU 55 61.641 2.200 2.343 251 HB3 GLU 55 HB3 GLU 55 62.997 1.279 2.993 252 HG2 GLU 55 HG2 GLU 55 61.394 3.346 4.523 253 HG3 GLU 55 HG3 GLU 55 61.209 1.604 4.677 254 H ILE 56 H ILE 56 65.671 2.480 1.936 255 HA ILE 56 HA ILE 56 64.911 2.494 -0.939 256 HB ILE 56 HB ILE 56 67.682 2.879 0.234 257 HG12 ILE 56 HG12 ILE 56 65.953 4.889 -1.230 258 HG13 ILE 56 HG13 ILE 56 66.056 4.813 0.529 259 HG21 ILE 56 HG21 ILE 56 67.493 1.736 -2.023 260 HG22 ILE 56 HG22 ILE 56 68.384 3.256 -2.039 261 HG23 ILE 56 HG23 ILE 56 66.721 3.205 -2.621 262 HD11 ILE 56 HD11 ILE 56 68.398 5.316 0.504 263 HD12 ILE 56 HD12 ILE 56 67.629 6.477 -0.577 264 HD13 ILE 56 HD13 ILE 56 68.497 5.095 -1.242 265 H ASN 57 H ASN 57 64.990 0.545 -1.913 266 HA ASN 57 HA ASN 57 66.299 -1.685 -0.469 267 HB2 ASN 57 HB2 ASN 57 64.274 -1.749 -2.727 268 HB3 ASN 57 HB3 ASN 57 64.942 -3.158 -1.905 269 HD21 ASN 57 HD21 ASN 57 64.858 -2.335 0.783 270 HD22 ASN 57 HD22 ASN 57 63.245 -2.070 1.241 271 H VAL 58 H VAL 58 68.059 -2.696 -1.400 272 HA VAL 58 HA VAL 58 68.976 -1.564 -3.985 273 HB VAL 58 HB VAL 58 70.686 -2.025 -1.537 274 HG11 VAL 58 HG11 VAL 58 72.131 -2.203 -3.363 275 HG12 VAL 58 HG12 VAL 58 72.205 -0.472 -3.035 276 HG13 VAL 58 HG13 VAL 58 71.191 -1.080 -4.343 277 HG21 VAL 58 HG21 VAL 58 69.042 -0.086 -1.354 278 HG22 VAL 58 HG22 VAL 58 69.866 0.635 -2.735 279 HG23 VAL 58 HG23 VAL 58 70.741 0.356 -1.230 280 H THR 59 H THR 59 69.944 -2.921 -5.361 281 HA THR 59 HA THR 59 70.575 -5.666 -4.432 282 HB THR 59 HB THR 59 69.674 -4.805 -7.194 283 HG1 THR 59 HG1 THR 59 67.785 -5.133 -6.428 284 HG21 THR 59 HG21 THR 59 70.899 -6.735 -7.580 285 HG22 THR 59 HG22 THR 59 69.320 -7.428 -7.209 286 HG23 THR 59 HG23 THR 59 70.576 -7.387 -5.973 287 H LYS 60 H LYS 60 72.642 -6.255 -4.644 288 HA LYS 60 HA LYS 60 74.550 -4.529 -5.974 289 HB2 LYS 60 HB2 LYS 60 74.863 -7.173 -4.540 290 HB3 LYS 60 HB3 LYS 60 76.201 -6.226 -5.188 291 HG2 LYS 60 HG2 LYS 60 75.490 -4.310 -3.758 292 HG3 LYS 60 HG3 LYS 60 74.245 -5.342 -3.049 293 HD2 LYS 60 HD2 LYS 60 76.020 -6.951 -2.355 294 HD3 LYS 60 HD3 LYS 60 77.237 -5.830 -2.968 295 HE2 LYS 60 HE2 LYS 60 75.185 -5.034 -0.894 296 HE3 LYS 60 HE3 LYS 60 76.771 -5.677 -0.469 297 HZ1 LYS 60 HZ1 LYS 60 76.989 -3.634 -2.430 298 HZ2 LYS 60 HZ2 LYS 60 77.709 -3.732 -0.894 299 HZ3 LYS 60 HZ3 LYS 60 76.156 -3.064 -1.067 300 H LYS 61 H LYS 61 76.073 -5.325 -7.588 301 HA LYS 61 HA LYS 61 74.979 -6.632 -9.792 302 HB2 LYS 61 HB2 LYS 61 77.888 -6.545 -8.959 303 HB3 LYS 61 HB3 LYS 61 77.296 -6.955 -10.569 304 HG2 LYS 61 HG2 LYS 61 76.140 -4.697 -10.601 305 HG3 LYS 61 HG3 LYS 61 77.035 -4.303 -9.134 306 HD2 LYS 61 HD2 LYS 61 78.301 -5.152 -11.755 307 HD3 LYS 61 HD3 LYS 61 78.180 -3.487 -11.191 308 HE2 LYS 61 HE2 LYS 61 79.341 -4.537 -9.018 309 HE3 LYS 61 HE3 LYS 61 79.925 -5.700 -10.207 310 HZ1 LYS 61 HZ1 LYS 61 81.203 -4.170 -11.213 311 HZ2 LYS 61 HZ2 LYS 61 81.120 -3.380 -9.711 312 HZ3 LYS 61 HZ3 LYS 61 80.093 -2.909 -10.980 313 H ASP 62 H ASP 62 76.438 -8.019 -6.912 314 HA ASP 62 HA ASP 62 76.751 -10.644 -8.111 315 HB2 ASP 62 HB2 ASP 62 78.269 -9.571 -6.342 316 HB3 ASP 62 HB3 ASP 62 77.011 -9.998 -5.185 317 H SER 63 H SER 63 73.969 -9.271 -7.479 318 HA SER 63 HA SER 63 71.876 -10.123 -7.181 319 HB2 SER 63 HB2 SER 63 72.896 -12.235 -8.177 320 HB3 SER 63 HB3 SER 63 73.058 -12.810 -6.520 321 HG SER 63 HG SER 63 70.918 -12.846 -6.377 322 H ASN 64 H ASN 64 74.181 -9.996 -4.721 323 HA ASN 64 HA ASN 64 72.602 -10.989 -2.553 324 HB2 ASN 64 HB2 ASN 64 74.875 -8.989 -2.601 325 HB3 ASN 64 HB3 ASN 64 74.185 -9.693 -1.140 326 HD21 ASN 64 HD21 ASN 64 76.953 -10.060 -1.946 327 HD22 ASN 64 HD22 ASN 64 77.172 -11.712 -2.270 328 H ARG 65 H ARG 65 71.087 -9.939 -1.304 329 HA ARG 65 HA ARG 65 70.285 -7.242 -2.244 330 HB2 ARG 65 HB2 ARG 65 68.632 -9.454 -1.011 331 HB3 ARG 65 HB3 ARG 65 68.026 -7.856 -1.448 332 HG2 ARG 65 HG2 ARG 65 68.745 -8.262 -3.800 333 HG3 ARG 65 HG3 ARG 65 69.228 -9.896 -3.342 334 HD2 ARG 65 HD2 ARG 65 66.871 -10.279 -2.533 335 HD3 ARG 65 HD3 ARG 65 66.440 -8.721 -3.232 336 HE ARG 65 HE ARG 65 67.728 -10.250 -5.209 337 HH11 ARG 65 HH11 ARG 65 64.713 -10.289 -3.411 338 HH12 ARG 65 HH12 ARG 65 63.854 -11.102 -4.676 339 HH21 ARG 65 HH21 ARG 65 66.568 -11.295 -6.802 340 HH22 ARG 65 HH22 ARG 65 64.892 -11.664 -6.572 341 H TYR 66 H TYR 66 69.833 -5.641 -0.800 342 HA TYR 66 HA TYR 66 69.708 -6.229 2.042 343 HB2 TYR 66 HB2 TYR 66 71.494 -4.826 2.718 344 HB3 TYR 66 HB3 TYR 66 72.129 -5.943 1.531 345 HD1 TYR 66 HD1 TYR 66 71.160 -2.437 2.187 346 HD2 TYR 66 HD2 TYR 66 73.002 -5.157 -0.579 347 HE1 TYR 66 HE1 TYR 66 72.101 -0.519 0.931 348 HE2 TYR 66 HE2 TYR 66 73.939 -3.238 -1.840 349 HH TYR 66 HH TYR 66 74.499 -0.702 -1.121 350 H THR 67 H THR 67 69.169 -4.279 3.320 351 HA THR 67 HA THR 67 67.667 -2.284 1.728 352 HB THR 67 HB THR 67 66.839 -3.450 4.399 353 HG1 THR 67 HG1 THR 67 65.949 -4.898 3.224 354 HG21 THR 67 HG21 THR 67 65.983 -1.235 4.193 355 HG22 THR 67 HG22 THR 67 64.661 -2.299 3.710 356 HG23 THR 67 HG23 THR 67 65.612 -1.460 2.483 357 H THR 68 H THR 68 67.935 -0.184 2.315 358 HA THR 68 HA THR 68 69.564 0.363 4.735 359 HB THR 68 HB THR 68 70.954 0.565 2.721 360 HG1 THR 68 HG1 THR 68 71.698 2.489 3.317 361 HG21 THR 68 HG21 THR 68 70.443 2.022 0.930 362 HG22 THR 68 HG22 THR 68 69.162 2.825 1.839 363 HG23 THR 68 HG23 THR 68 68.929 1.179 1.253 364 H TYR 69 H TYR 69 69.072 2.175 5.899 365 HA TYR 69 HA TYR 69 66.497 3.463 5.229 366 HB2 TYR 69 HB2 TYR 69 68.012 3.385 7.847 367 HB3 TYR 69 HB3 TYR 69 66.419 4.073 7.596 368 HD1 TYR 69 HD1 TYR 69 68.330 0.870 7.374 369 HD2 TYR 69 HD2 TYR 69 64.502 2.748 7.878 370 HE1 TYR 69 HE1 TYR 69 67.318 -1.335 7.893 371 HE2 TYR 69 HE2 TYR 69 63.487 0.543 8.390 372 HH TYR 69 HH TYR 69 64.809 -1.885 9.352 373 H ILE 70 H ILE 70 66.379 5.672 4.921 374 HA ILE 70 HA ILE 70 68.920 7.123 4.875 375 HB ILE 70 HB ILE 70 66.243 8.209 4.012 376 HG12 ILE 70 HG12 ILE 70 68.279 6.857 2.214 377 HG13 ILE 70 HG13 ILE 70 66.822 6.046 2.795 378 HG21 ILE 70 HG21 ILE 70 68.339 9.653 4.404 379 HG22 ILE 70 HG22 ILE 70 67.537 9.811 2.841 380 HG23 ILE 70 HG23 ILE 70 69.008 8.848 2.984 381 HD11 ILE 70 HD11 ILE 70 66.065 6.905 0.768 382 HD12 ILE 70 HD12 ILE 70 67.072 8.346 0.886 383 HD13 ILE 70 HD13 ILE 70 65.615 8.206 1.868 384 HA PRO 71 HA PRO 71 67.607 8.736 8.964 385 HB2 PRO 71 HB2 PRO 71 69.562 10.759 9.066 386 HB3 PRO 71 HB3 PRO 71 69.701 9.129 9.742 387 HG2 PRO 71 HG2 PRO 71 70.767 10.218 7.212 388 HG3 PRO 71 HG3 PRO 71 71.434 8.977 8.287 389 HD2 PRO 71 HD2 PRO 71 70.269 8.337 5.930 390 HD3 PRO 71 HD3 PRO 71 70.159 7.274 7.344 391 H VAL 72 H VAL 72 68.498 10.914 6.289 392 HA VAL 72 HA VAL 72 65.964 12.332 6.677 393 HB VAL 72 HB VAL 72 67.670 13.665 7.858 394 HG11 VAL 72 HG11 VAL 72 69.634 12.914 6.559 395 HG12 VAL 72 HG12 VAL 72 69.526 14.673 6.599 396 HG13 VAL 72 HG13 VAL 72 69.035 13.791 5.152 397 HG21 VAL 72 HG21 VAL 72 67.263 15.784 6.698 398 HG22 VAL 72 HG22 VAL 72 65.807 14.790 6.656 399 HG23 VAL 72 HG23 VAL 72 66.831 14.915 5.225 400 H GLN 73 H GLN 73 65.095 13.180 4.752 401 HA GLN 73 HA GLN 73 65.650 11.730 2.419 402 HB2 GLN 73 HB2 GLN 73 63.503 12.907 2.901 403 HB3 GLN 73 HB3 GLN 73 64.314 14.442 2.583 404 HG2 GLN 73 HG2 GLN 73 64.926 13.574 0.308 405 HG3 GLN 73 HG3 GLN 73 63.931 12.155 0.633 406 HE21 GLN 73 HE21 GLN 73 61.914 12.372 -0.323 407 HE22 GLN 73 HE22 GLN 73 61.044 13.825 -0.450 408 H ASP 74 H ASP 74 67.119 11.941 0.858 409 HA ASP 74 HA ASP 74 68.773 14.400 0.799 410 HB2 ASP 74 HB2 ASP 74 69.702 12.041 1.579 411 HB3 ASP 74 HB3 ASP 74 69.835 11.775 -0.156 412 HA PRO 75 HA PRO 75 66.729 14.139 -3.369 413 HB2 PRO 75 HB2 PRO 75 67.655 16.977 -3.348 414 HB3 PRO 75 HB3 PRO 75 66.088 16.304 -3.845 415 HG2 PRO 75 HG2 PRO 75 66.298 17.596 -1.564 416 HG3 PRO 75 HG3 PRO 75 65.331 16.108 -1.662 417 HD2 PRO 75 HD2 PRO 75 68.101 16.472 -0.539 418 HD3 PRO 75 HD3 PRO 75 66.745 15.509 0.100 419 H LYS 76 H LYS 76 69.842 15.381 -2.316 420 HA LYS 76 HA LYS 76 71.089 15.605 -4.858 421 HB2 LYS 76 HB2 LYS 76 71.975 16.618 -2.759 422 HB3 LYS 76 HB3 LYS 76 72.390 15.000 -2.194 423 HG2 LYS 76 HG2 LYS 76 73.891 14.676 -4.090 424 HG3 LYS 76 HG3 LYS 76 73.417 16.235 -4.766 425 HD2 LYS 76 HD2 LYS 76 75.518 16.553 -3.627 426 HD3 LYS 76 HD3 LYS 76 74.264 17.317 -2.650 427 HE2 LYS 76 HE2 LYS 76 75.838 15.963 -1.277 428 HE3 LYS 76 HE3 LYS 76 74.183 15.371 -1.172 429 HZ1 LYS 76 HZ1 LYS 76 74.694 13.486 -2.258 430 HZ2 LYS 76 HZ2 LYS 76 76.271 13.821 -1.722 431 HZ3 LYS 76 HZ3 LYS 76 75.801 14.240 -3.300 432 H LEU 77 H LEU 77 70.460 12.855 -2.782 433 HA LEU 77 HA LEU 77 72.452 11.097 -3.658 434 HB2 LEU 77 HB2 LEU 77 70.907 10.684 -1.746 435 HB3 LEU 77 HB3 LEU 77 69.608 10.384 -2.901 436 HG LEU 77 HG LEU 77 71.083 8.598 -3.937 437 HD11 LEU 77 HD11 LEU 77 73.254 9.195 -3.159 438 HD12 LEU 77 HD12 LEU 77 72.838 7.723 -2.279 439 HD13 LEU 77 HD13 LEU 77 72.708 9.292 -1.484 440 HD21 LEU 77 HD21 LEU 77 69.296 7.854 -2.546 441 HD22 LEU 77 HD22 LEU 77 70.107 8.408 -1.082 442 HD23 LEU 77 HD23 LEU 77 70.725 7.005 -1.955 443 H LEU 78 H LEU 78 69.343 11.949 -5.112 444 HA LEU 78 HA LEU 78 69.191 9.884 -7.019 445 HB2 LEU 78 HB2 LEU 78 68.234 12.748 -7.280 446 HB3 LEU 78 HB3 LEU 78 67.690 11.381 -8.253 447 HG LEU 78 HG LEU 78 67.405 11.569 -5.239 448 HD11 LEU 78 HD11 LEU 78 64.964 11.823 -5.799 449 HD12 LEU 78 HD12 LEU 78 65.424 12.024 -7.490 450 HD13 LEU 78 HD13 LEU 78 65.950 13.201 -6.287 451 HD21 LEU 78 HD21 LEU 78 66.664 9.531 -7.327 452 HD22 LEU 78 HD22 LEU 78 65.694 9.680 -5.862 453 HD23 LEU 78 HD23 LEU 78 67.408 9.279 -5.748 454 H ASP 79 H ASP 79 70.670 13.111 -7.191 455 HA ASP 79 HA ASP 79 71.469 12.982 -9.890 456 HB2 ASP 79 HB2 ASP 79 72.698 14.488 -7.569 457 HB3 ASP 79 HB3 ASP 79 73.098 14.759 -9.264 458 H ASN 80 H ASN 80 73.127 12.003 -6.912 459 HA ASN 80 HA ASN 80 75.610 11.360 -8.047 460 HB2 ASN 80 HB2 ASN 80 74.997 11.471 -5.577 461 HB3 ASN 80 HB3 ASN 80 74.330 9.850 -5.767 462 HD21 ASN 80 HD21 ASN 80 75.805 8.242 -5.245 463 HD22 ASN 80 HD22 ASN 80 77.489 8.366 -5.420 464 H LEU 81 H LEU 81 72.748 9.287 -7.525 465 HA LEU 81 HA LEU 81 73.868 6.893 -8.470 466 HB2 LEU 81 HB2 LEU 81 70.990 7.822 -8.614 467 HB3 LEU 81 HB3 LEU 81 71.540 6.159 -8.817 468 HG LEU 81 HG LEU 81 72.023 7.819 -6.326 469 HD11 LEU 81 HD11 LEU 81 70.328 6.156 -5.362 470 HD12 LEU 81 HD12 LEU 81 69.906 5.778 -7.032 471 HD13 LEU 81 HD13 LEU 81 69.673 7.412 -6.411 472 HD21 LEU 81 HD21 LEU 81 72.623 4.989 -7.166 473 HD22 LEU 81 HD22 LEU 81 72.394 5.379 -5.461 474 HD23 LEU 81 HD23 LEU 81 73.685 6.156 -6.380 475 H LEU 82 H LEU 82 72.366 9.580 -10.225 476 HA LEU 82 HA LEU 82 72.262 8.205 -12.728 477 HB2 LEU 82 HB2 LEU 82 72.376 11.185 -12.173 478 HB3 LEU 82 HB3 LEU 82 71.952 10.449 -13.718 479 HG LEU 82 HG LEU 82 70.449 9.986 -11.125 480 HD11 LEU 82 HD11 LEU 82 69.943 11.819 -13.478 481 HD12 LEU 82 HD12 LEU 82 70.053 12.255 -11.773 482 HD13 LEU 82 HD13 LEU 82 68.667 11.335 -12.361 483 HD21 LEU 82 HD21 LEU 82 68.723 9.131 -12.837 484 HD22 LEU 82 HD22 LEU 82 70.126 8.102 -12.545 485 HD23 LEU 82 HD23 LEU 82 70.056 9.108 -13.992 486 H THR 83 H THR 83 74.675 10.419 -11.311 487 HA THR 83 HA THR 83 76.426 10.473 -13.497 488 HB THR 83 HB THR 83 77.192 10.539 -10.572 489 HG1 THR 83 HG1 THR 83 75.801 12.136 -10.809 490 HG21 THR 83 HG21 THR 83 79.040 11.965 -11.423 491 HG22 THR 83 HG22 THR 83 78.484 11.670 -13.071 492 HG23 THR 83 HG23 THR 83 79.098 10.335 -12.096 493 H LYS 84 H LYS 84 75.985 8.038 -11.005 494 HA LYS 84 HA LYS 84 78.348 6.543 -11.773 495 HB2 LYS 84 HB2 LYS 84 76.085 5.758 -9.925 496 HB3 LYS 84 HB3 LYS 84 77.630 4.927 -10.086 497 HG2 LYS 84 HG2 LYS 84 77.300 7.809 -9.202 498 HG3 LYS 84 HG3 LYS 84 77.570 6.448 -8.115 499 HD2 LYS 84 HD2 LYS 84 79.695 5.961 -9.386 500 HD3 LYS 84 HD3 LYS 84 79.450 7.476 -10.257 501 HE2 LYS 84 HE2 LYS 84 79.448 7.404 -7.245 502 HE3 LYS 84 HE3 LYS 84 80.954 7.540 -8.153 503 HZ1 LYS 84 HZ1 LYS 84 78.822 9.473 -7.800 504 HZ2 LYS 84 HZ2 LYS 84 79.460 9.375 -9.371 505 HZ3 LYS 84 HZ3 LYS 84 80.480 9.719 -8.057 506 H ASN 85 H ASN 85 75.446 6.858 -13.325 507 HA ASN 85 HA ASN 85 74.277 5.598 -14.824 508 HB2 ASN 85 HB2 ASN 85 76.783 3.898 -14.865 509 HB3 ASN 85 HB3 ASN 85 75.514 3.922 -16.085 510 HD21 ASN 85 HD21 ASN 85 78.524 4.842 -16.011 511 HD22 ASN 85 HD22 ASN 85 78.456 6.377 -16.731 512 H VAL 86 H VAL 86 73.819 5.079 -12.084 513 HA VAL 86 HA VAL 86 73.415 2.170 -11.967 514 HB VAL 86 HB VAL 86 72.942 4.293 -9.857 515 HG11 VAL 86 HG11 VAL 86 71.594 2.172 -9.651 516 HG12 VAL 86 HG12 VAL 86 72.717 2.435 -8.318 517 HG13 VAL 86 HG13 VAL 86 73.113 1.277 -9.588 518 HG21 VAL 86 HG21 VAL 86 75.177 2.255 -10.029 519 HG22 VAL 86 HG22 VAL 86 75.033 3.599 -8.897 520 HG23 VAL 86 HG23 VAL 86 75.349 3.913 -10.602 521 H LYS 87 H LYS 87 71.369 1.246 -11.909 522 HA LYS 87 HA LYS 87 69.292 2.707 -13.240 523 HB2 LYS 87 HB2 LYS 87 69.631 0.234 -13.457 524 HB3 LYS 87 HB3 LYS 87 69.080 0.056 -11.790 525 HG2 LYS 87 HG2 LYS 87 66.941 1.168 -12.407 526 HG3 LYS 87 HG3 LYS 87 67.487 1.240 -14.082 527 HD2 LYS 87 HD2 LYS 87 67.736 -1.255 -14.051 528 HD3 LYS 87 HD3 LYS 87 67.014 -1.263 -12.441 529 HE2 LYS 87 HE2 LYS 87 64.984 -0.187 -13.341 530 HE3 LYS 87 HE3 LYS 87 65.701 -0.184 -14.953 531 HZ1 LYS 87 HZ1 LYS 87 65.168 -2.607 -13.320 532 HZ2 LYS 87 HZ2 LYS 87 65.809 -2.581 -14.894 533 HZ3 LYS 87 HZ3 LYS 87 64.212 -2.071 -14.615 534 H VAL 88 H VAL 88 67.538 3.736 -12.408 535 HA VAL 88 HA VAL 88 67.210 3.706 -9.461 536 HB VAL 88 HB VAL 88 66.977 6.134 -11.261 537 HG11 VAL 88 HG11 VAL 88 66.881 5.863 -8.240 538 HG12 VAL 88 HG12 VAL 88 65.476 6.122 -9.274 539 HG13 VAL 88 HG13 VAL 88 66.725 7.362 -9.157 540 HG21 VAL 88 HG21 VAL 88 68.970 6.831 -9.713 541 HG22 VAL 88 HG22 VAL 88 69.292 5.778 -11.089 542 HG23 VAL 88 HG23 VAL 88 69.164 5.095 -9.469 543 H VAL 89 H VAL 89 65.219 3.348 -8.772 544 HA VAL 89 HA VAL 89 62.975 3.580 -10.705 545 HB VAL 89 HB VAL 89 63.180 1.592 -8.431 546 HG11 VAL 89 HG11 VAL 89 61.274 0.539 -9.666 547 HG12 VAL 89 HG12 VAL 89 61.265 1.925 -10.756 548 HG13 VAL 89 HG13 VAL 89 60.898 2.146 -9.045 549 HG21 VAL 89 HG21 VAL 89 63.962 1.392 -11.328 550 HG22 VAL 89 HG22 VAL 89 63.314 -0.027 -10.504 551 HG23 VAL 89 HG23 VAL 89 64.780 0.748 -9.904 552 H GLY 90 H GLY 90 61.312 4.852 -10.056 553 HA2 GLY 90 HA2 GLY 90 61.269 5.739 -7.232 554 HA3 GLY 90 HA3 GLY 90 60.554 6.612 -8.586 555 H GLU 91 H GLU 91 59.664 5.055 -5.929 556 HA GLU 91 HA GLU 91 57.044 4.439 -7.020 557 HB2 GLU 91 HB2 GLU 91 58.881 2.335 -5.918 558 HB3 GLU 91 HB3 GLU 91 57.134 2.174 -5.734 559 HG2 GLU 91 HG2 GLU 91 57.094 2.730 -8.302 560 HG3 GLU 91 HG3 GLU 91 58.775 2.201 -8.248 561 HA PRO 92 HA PRO 92 56.995 6.413 -2.826 562 HB2 PRO 92 HB2 PRO 92 54.470 7.546 -3.243 563 HB3 PRO 92 HB3 PRO 92 56.022 8.363 -3.490 564 HG2 PRO 92 HG2 PRO 92 54.212 7.114 -5.467 565 HG3 PRO 92 HG3 PRO 92 55.252 8.541 -5.621 566 HD2 PRO 92 HD2 PRO 92 55.905 6.162 -6.734 567 HD3 PRO 92 HD3 PRO 92 57.137 7.291 -6.129 568 HA PRO 93 HA PRO 93 54.774 3.064 -0.976 569 HB2 PRO 93 HB2 PRO 93 53.597 5.061 0.921 570 HB3 PRO 93 HB3 PRO 93 54.433 3.531 1.268 571 HG2 PRO 93 HG2 PRO 93 55.676 5.818 1.634 572 HG3 PRO 93 HG3 PRO 93 56.532 4.444 0.906 573 HD2 PRO 93 HD2 PRO 93 55.436 6.895 -0.435 574 HD3 PRO 93 HD3 PRO 93 56.935 5.998 -0.772 575 H GLU 94 H GLU 94 52.794 2.073 -1.195 576 HA GLU 94 HA GLU 94 50.630 3.707 -2.361 577 HB2 GLU 94 HB2 GLU 94 51.538 1.781 -3.684 578 HB3 GLU 94 HB3 GLU 94 50.959 0.700 -2.416 579 HG2 GLU 94 HG2 GLU 94 48.662 1.603 -2.738 580 HG3 GLU 94 HG3 GLU 94 49.259 2.593 -4.061 581 H GLU 95 H GLU 95 48.695 3.881 -1.398 582 HA GLU 95 HA GLU 95 48.129 2.201 0.969 583 HB2 GLU 95 HB2 GLU 95 48.065 5.190 0.706 584 HB3 GLU 95 HB3 GLU 95 46.983 4.376 1.836 585 HG2 GLU 95 HG2 GLU 95 49.175 3.121 2.581 586 HG3 GLU 95 HG3 GLU 95 49.981 4.510 1.853 587 HA PRO 96 HA PRO 96 44.704 1.977 -2.150 588 HB2 PRO 96 HB2 PRO 96 43.657 -0.387 -1.159 589 HB3 PRO 96 HB3 PRO 96 44.897 -0.276 -2.424 590 HG2 PRO 96 HG2 PRO 96 45.223 -0.760 0.500 591 HG3 PRO 96 HG3 PRO 96 46.037 -1.539 -0.873 592 HD2 PRO 96 HD2 PRO 96 47.303 0.343 0.531 593 HD3 PRO 96 HD3 PRO 96 47.472 0.279 -1.237 594 H LEU 97 H LEU 97 44.666 1.865 1.344 595 HA LEU 97 HA LEU 97 41.892 1.976 1.802 596 HB2 LEU 97 HB2 LEU 97 43.631 1.589 3.550 597 HB3 LEU 97 HB3 LEU 97 44.076 3.292 3.432 598 HG LEU 97 HG LEU 97 41.621 3.823 3.918 599 HD11 LEU 97 HD11 LEU 97 41.695 0.870 4.590 600 HD12 LEU 97 HD12 LEU 97 40.620 1.678 3.447 601 HD13 LEU 97 HD13 LEU 97 40.449 1.970 5.178 602 HD21 LEU 97 HD21 LEU 97 41.926 3.503 6.345 603 HD22 LEU 97 HD22 LEU 97 43.424 4.054 5.597 604 HD23 LEU 97 HD23 LEU 97 43.229 2.356 6.034 605 H GLU 98 H GLU 98 44.255 4.505 1.068 606 HA GLU 98 HA GLU 98 42.700 6.757 1.637 607 HB2 GLU 98 HB2 GLU 98 45.136 6.764 1.096 608 HB3 GLU 98 HB3 GLU 98 44.721 6.491 -0.596 609 HG2 GLU 98 HG2 GLU 98 43.343 8.565 -0.560 610 HG3 GLU 98 HG3 GLU 98 43.862 8.854 1.094 611 H HIS 99 H HIS 99 42.695 4.660 -1.200 612 HA HIS 99 HA HIS 99 41.359 6.277 -3.026 613 HB2 HIS 99 HB2 HIS 99 41.243 3.300 -2.583 614 HB3 HIS 99 HB3 HIS 99 40.463 4.096 -3.937 615 HD1 HIS 99 HD1 HIS 99 43.940 3.745 -2.419 616 HD2 HIS 99 HD2 HIS 99 42.137 4.432 -6.114 617 HE1 HIS 99 HE1 HIS 99 45.801 3.743 -4.134 618 H HIS 100 H HIS 100 40.063 4.517 -0.256 619 HA HIS 100 HA HIS 100 37.358 4.479 -0.983 620 HB2 HIS 100 HB2 HIS 100 38.667 4.656 1.726 621 HB3 HIS 100 HB3 HIS 100 36.941 4.439 1.500 622 HD1 HIS 100 HD1 HIS 100 40.046 2.591 1.826 623 HD2 HIS 100 HD2 HIS 100 36.363 1.906 -0.005 624 HE1 HIS 100 HE1 HIS 100 39.914 0.101 1.395 625 H HIS 101 H HIS 101 35.770 5.939 -0.997 626 HA HIS 101 HA HIS 101 36.307 8.726 -0.663 627 HB2 HIS 101 HB2 HIS 101 34.640 7.843 -2.250 628 HB3 HIS 101 HB3 HIS 101 33.670 7.277 -0.904 629 HD1 HIS 101 HD1 HIS 101 35.166 10.598 -2.061 630 HD2 HIS 101 HD2 HIS 101 31.732 9.107 -0.226 631 HE1 HIS 101 HE1 HIS 101 33.619 12.574 -1.725 632 H HIS 102 H HIS 102 34.857 6.234 1.364 633 HA HIS 102 HA HIS 102 33.542 7.811 3.247 634 HB2 HIS 102 HB2 HIS 102 33.392 5.355 3.119 635 HB3 HIS 102 HB3 HIS 102 35.037 5.230 3.710 636 HD1 HIS 102 HD1 HIS 102 31.755 6.806 4.871 637 HD2 HIS 102 HD2 HIS 102 35.108 4.890 6.440 638 HE1 HIS 102 HE1 HIS 102 31.355 6.587 7.361 639 H HIS 103 H HIS 103 36.977 7.012 2.976 640 HA HIS 103 HA HIS 103 37.842 7.782 5.516 641 HB2 HIS 103 HB2 HIS 103 39.255 6.656 3.849 642 HB3 HIS 103 HB3 HIS 103 39.273 8.117 2.879 643 HD1 HIS 103 HD1 HIS 103 40.203 7.106 6.445 644 HD2 HIS 103 HD2 HIS 103 41.485 9.663 3.413 645 HE1 HIS 103 HE1 HIS 103 42.311 8.221 7.294 646 H HIS 104 H HIS 104 37.075 9.769 2.698 647 HA HIS 104 HA HIS 104 37.803 12.194 4.214 648 HB2 HIS 104 HB2 HIS 104 37.233 11.753 1.283 649 HB3 HIS 104 HB3 HIS 104 37.501 13.329 2.003 650 HD1 HIS 104 HD1 HIS 104 39.259 10.214 0.929 651 HD2 HIS 104 HD2 HIS 104 40.223 13.840 2.747 652 HE1 HIS 104 HE1 HIS 104 41.782 10.392 0.877 Start of MODEL 19 1 H1 MET 23 HT1 MET 23 69.942 -18.310 16.394 2 H2 MET 23 HT2 MET 23 70.062 -19.976 16.082 3 H3 MET 23 HT3 MET 23 68.639 -19.135 15.687 4 HA MET 23 HA MET 23 71.151 -18.235 14.483 5 HB2 MET 23 HB2 MET 23 70.993 -20.784 14.311 6 HB3 MET 23 HB3 MET 23 69.546 -20.527 13.335 7 HG2 MET 23 HG2 MET 23 70.915 -19.046 11.827 8 HG3 MET 23 HG3 MET 23 72.345 -19.532 12.737 9 HE1 MET 23 HE1 MET 23 73.073 -21.805 13.151 10 HE2 MET 23 HE2 MET 23 72.709 -23.246 12.202 11 HE3 MET 23 HE3 MET 23 71.559 -22.682 13.412 12 H ALA 24 H ALA 24 70.396 -16.324 13.763 13 HA ALA 24 HA ALA 24 67.665 -16.164 12.688 14 HB1 ALA 24 HB1 ALA 24 69.663 -14.130 13.635 15 HB2 ALA 24 HB2 ALA 24 68.014 -14.413 14.196 16 HB3 ALA 24 HB3 ALA 24 68.295 -13.652 12.630 17 H SER 25 H SER 25 69.946 -17.432 11.194 18 HA SER 25 HA SER 25 70.787 -15.722 9.103 19 HB2 SER 25 HB2 SER 25 71.479 -17.741 7.970 20 HB3 SER 25 HB3 SER 25 71.841 -17.900 9.685 21 HG SER 25 HG SER 25 70.733 -19.694 8.729 22 H GLU 26 H GLU 26 67.783 -17.429 9.615 23 HA GLU 26 HA GLU 26 66.905 -17.785 6.992 24 HB2 GLU 26 HB2 GLU 26 65.300 -17.130 9.470 25 HB3 GLU 26 HB3 GLU 26 64.621 -17.730 7.957 26 HG2 GLU 26 HG2 GLU 26 66.706 -19.164 9.625 27 HG3 GLU 26 HG3 GLU 26 64.992 -19.559 9.590 28 H SER 27 H SER 27 66.977 -14.853 8.956 29 HA SER 27 HA SER 27 65.068 -13.335 7.589 30 HB2 SER 27 HB2 SER 27 67.637 -12.383 8.877 31 HB3 SER 27 HB3 SER 27 66.259 -11.370 8.461 32 HG SER 27 HG SER 27 66.611 -12.958 10.568 33 H ASN 28 H ASN 28 65.021 -12.280 5.715 34 HA ASN 28 HA ASN 28 67.396 -12.360 3.976 35 HB2 ASN 28 HB2 ASN 28 64.478 -11.857 3.345 36 HB3 ASN 28 HB3 ASN 28 65.782 -11.842 2.159 37 HD21 ASN 28 HD21 ASN 28 63.528 -13.724 2.155 38 HD22 ASN 28 HD22 ASN 28 64.187 -15.275 2.355 39 H GLY 29 H GLY 29 67.912 -10.437 2.710 40 HA2 GLY 29 HA2 GLY 29 68.082 -8.164 2.303 41 HA3 GLY 29 HA3 GLY 29 66.657 -7.921 3.310 42 H ARG 30 H ARG 30 70.152 -8.227 3.297 43 HA ARG 30 HA ARG 30 70.611 -8.096 6.090 44 HB2 ARG 30 HB2 ARG 30 72.319 -7.099 3.795 45 HB3 ARG 30 HB3 ARG 30 72.870 -7.278 5.462 46 HG2 ARG 30 HG2 ARG 30 72.276 -9.699 5.361 47 HG3 ARG 30 HG3 ARG 30 71.853 -9.494 3.661 48 HD2 ARG 30 HD2 ARG 30 74.188 -8.633 3.266 49 HD3 ARG 30 HD3 ARG 30 74.573 -9.086 4.924 50 HE ARG 30 HE ARG 30 73.450 -11.187 3.237 51 HH11 ARG 30 HH11 ARG 30 76.365 -9.762 4.581 52 HH12 ARG 30 HH12 ARG 30 77.299 -11.198 4.332 53 HH21 ARG 30 HH21 ARG 30 74.706 -13.005 2.942 54 HH22 ARG 30 HH22 ARG 30 76.372 -13.010 3.417 55 H LYS 31 H LYS 31 70.980 -6.333 7.476 56 HA LYS 31 HA LYS 31 69.659 -3.861 6.698 57 HB2 LYS 31 HB2 LYS 31 71.017 -4.695 9.276 58 HB3 LYS 31 HB3 LYS 31 70.152 -3.174 9.043 59 HG2 LYS 31 HG2 LYS 31 68.107 -4.469 8.445 60 HG3 LYS 31 HG3 LYS 31 68.978 -5.959 8.806 61 HD2 LYS 31 HD2 LYS 31 69.380 -5.113 11.122 62 HD3 LYS 31 HD3 LYS 31 68.382 -3.708 10.748 63 HE2 LYS 31 HE2 LYS 31 66.471 -5.189 10.257 64 HE3 LYS 31 HE3 LYS 31 67.466 -6.597 10.630 65 HZ1 LYS 31 HZ1 LYS 31 66.610 -4.441 12.474 66 HZ2 LYS 31 HZ2 LYS 31 67.826 -5.560 12.865 67 HZ3 LYS 31 HZ3 LYS 31 66.242 -6.094 12.566 68 H VAL 32 H VAL 32 70.636 -1.978 6.135 69 HA VAL 32 HA VAL 32 73.562 -1.763 6.494 70 HB VAL 32 HB VAL 32 72.076 -1.163 3.926 71 HG11 VAL 32 HG11 VAL 32 74.028 0.323 4.372 72 HG12 VAL 32 HG12 VAL 32 74.308 -0.751 3.001 73 HG13 VAL 32 HG13 VAL 32 75.044 -1.107 4.564 74 HG21 VAL 32 HG21 VAL 32 73.590 -3.049 3.090 75 HG22 VAL 32 HG22 VAL 32 72.266 -3.542 4.146 76 HG23 VAL 32 HG23 VAL 32 73.904 -3.420 4.786 77 H ASP 33 H ASP 33 74.252 0.133 7.175 78 HA ASP 33 HA ASP 33 72.462 2.313 7.716 79 HB2 ASP 33 HB2 ASP 33 75.472 2.066 7.919 80 HB3 ASP 33 HB3 ASP 33 74.543 3.435 8.519 81 H TYR 34 H TYR 34 72.463 4.386 6.770 82 HA TYR 34 HA TYR 34 72.718 4.585 4.012 83 HB2 TYR 34 HB2 TYR 34 71.379 6.144 5.197 84 HB3 TYR 34 HB3 TYR 34 72.713 6.638 6.213 85 HD1 TYR 34 HD1 TYR 34 72.209 6.407 2.477 86 HD2 TYR 34 HD2 TYR 34 73.251 8.843 5.858 87 HE1 TYR 34 HE1 TYR 34 72.679 8.318 0.963 88 HE2 TYR 34 HE2 TYR 34 73.706 10.753 4.346 89 HH TYR 34 HH TYR 34 72.799 10.832 1.154 90 H SER 35 H SER 35 75.122 5.322 6.523 91 HA SER 35 HA SER 35 77.024 6.596 4.896 92 HB2 SER 35 HB2 SER 35 77.563 4.801 7.272 93 HB3 SER 35 HB3 SER 35 78.642 6.027 6.617 94 HG SER 35 HG SER 35 77.354 7.522 7.429 95 H THR 36 H THR 36 76.507 3.164 5.616 96 HA THR 36 HA THR 36 78.839 2.222 4.274 97 HB THR 36 HB THR 36 76.252 0.728 4.765 98 HG1 THR 36 HG1 THR 36 76.931 0.542 6.734 99 HG21 THR 36 HG21 THR 36 79.103 -0.253 4.460 100 HG22 THR 36 HG22 THR 36 77.886 -0.308 3.184 101 HG23 THR 36 HG23 THR 36 77.662 -1.253 4.657 102 H PHE 37 H PHE 37 75.483 2.729 3.245 103 HA PHE 37 HA PHE 37 75.654 1.575 0.710 104 HB2 PHE 37 HB2 PHE 37 73.539 2.286 1.651 105 HB3 PHE 37 HB3 PHE 37 74.058 3.958 1.654 106 HD1 PHE 37 HD2 PHE 37 72.857 1.155 -0.417 107 HD2 PHE 37 HD1 PHE 37 74.110 5.263 -0.401 108 HE1 PHE 37 HE2 PHE 37 71.928 1.451 -2.699 109 HE2 PHE 37 HE1 PHE 37 73.179 5.559 -2.680 110 HZ PHE 37 HZ PHE 37 72.086 3.651 -3.828 111 H LEU 38 H LEU 38 76.490 4.886 1.749 112 HA LEU 38 HA LEU 38 76.955 5.933 -0.815 113 HB2 LEU 38 HB2 LEU 38 78.257 6.668 1.819 114 HB3 LEU 38 HB3 LEU 38 78.332 7.639 0.350 115 HG LEU 38 HG LEU 38 75.743 6.815 1.692 116 HD11 LEU 38 HD11 LEU 38 75.795 9.418 2.166 117 HD12 LEU 38 HD12 LEU 38 77.539 9.194 2.059 118 HD13 LEU 38 HD13 LEU 38 76.606 8.300 3.260 119 HD21 LEU 38 HD21 LEU 38 76.510 8.535 -0.657 120 HD22 LEU 38 HD22 LEU 38 75.034 8.885 0.241 121 HD23 LEU 38 HD23 LEU 38 75.239 7.318 -0.543 122 H GLN 39 H GLN 39 79.145 4.282 1.437 123 HA GLN 39 HA GLN 39 81.501 4.604 -0.083 124 HB2 GLN 39 HB2 GLN 39 81.422 3.787 2.279 125 HB3 GLN 39 HB3 GLN 39 80.794 2.249 1.685 126 HG2 GLN 39 HG2 GLN 39 82.828 2.053 0.226 127 HG3 GLN 39 HG3 GLN 39 83.470 3.498 1.006 128 HE21 GLN 39 HE21 GLN 39 84.910 2.969 2.644 129 HE22 GLN 39 HE22 GLN 39 84.787 1.608 3.651 130 H GLU 40 H GLU 40 79.008 2.086 -0.162 131 HA GLU 40 HA GLU 40 80.316 0.381 -1.978 132 HB2 GLU 40 HB2 GLU 40 77.374 0.753 -1.401 133 HB3 GLU 40 HB3 GLU 40 78.049 -0.582 -2.340 134 HG2 GLU 40 HG2 GLU 40 79.486 -1.188 -0.407 135 HG3 GLU 40 HG3 GLU 40 78.742 0.099 0.531 136 H VAL 41 H VAL 41 78.007 3.033 -2.532 137 HA VAL 41 HA VAL 41 77.809 2.812 -5.309 138 HB VAL 41 HB VAL 41 77.781 5.313 -3.598 139 HG11 VAL 41 HG11 VAL 41 76.548 6.341 -5.454 140 HG12 VAL 41 HG12 VAL 41 76.691 4.855 -6.395 141 HG13 VAL 41 HG13 VAL 41 78.132 5.798 -6.010 142 HG21 VAL 41 HG21 VAL 41 75.745 3.248 -4.386 143 HG22 VAL 41 HG22 VAL 41 75.228 4.910 -4.103 144 HG23 VAL 41 HG23 VAL 41 76.015 4.002 -2.817 145 H ASN 42 H ASN 42 80.185 4.612 -3.348 146 HA ASN 42 HA ASN 42 81.686 5.695 -5.449 147 HB2 ASN 42 HB2 ASN 42 82.576 4.813 -2.696 148 HB3 ASN 42 HB3 ASN 42 83.535 5.808 -3.789 149 HD21 ASN 42 HD21 ASN 42 81.803 6.236 -1.102 150 HD22 ASN 42 HD22 ASN 42 81.059 7.726 -1.428 151 H ASN 43 H ASN 43 81.741 2.477 -4.040 152 HA ASN 43 HA ASN 43 84.099 1.678 -5.539 153 HB2 ASN 43 HB2 ASN 43 82.192 0.087 -3.816 154 HB3 ASN 43 HB3 ASN 43 83.670 -0.549 -4.536 155 HD21 ASN 43 HD21 ASN 43 82.982 -0.143 -1.614 156 HD22 ASN 43 HD22 ASN 43 84.224 0.843 -1.007 157 H ASP 44 H ASP 44 81.129 2.268 -6.681 158 HA ASP 44 HA ASP 44 79.845 1.505 -8.412 159 HB2 ASP 44 HB2 ASP 44 82.032 2.064 -9.503 160 HB3 ASP 44 HB3 ASP 44 82.465 0.359 -9.383 161 H GLN 45 H GLN 45 79.986 -0.297 -6.120 162 HA GLN 45 HA GLN 45 79.878 -2.940 -7.369 163 HB2 GLN 45 HB2 GLN 45 79.521 -2.110 -4.479 164 HB3 GLN 45 HB3 GLN 45 79.483 -3.770 -5.071 165 HG2 GLN 45 HG2 GLN 45 81.818 -1.859 -5.363 166 HG3 GLN 45 HG3 GLN 45 81.715 -3.173 -4.194 167 HE21 GLN 45 HE21 GLN 45 83.117 -2.460 -7.090 168 HE22 GLN 45 HE22 GLN 45 83.184 -4.012 -7.774 169 H VAL 46 H VAL 46 77.672 -0.429 -6.375 170 HA VAL 46 HA VAL 46 75.365 -2.186 -6.242 171 HB VAL 46 HB VAL 46 75.467 0.842 -6.372 172 HG11 VAL 46 HG11 VAL 46 73.233 0.536 -5.178 173 HG12 VAL 46 HG12 VAL 46 73.331 -1.166 -5.629 174 HG13 VAL 46 HG13 VAL 46 73.262 0.075 -6.880 175 HG21 VAL 46 HG21 VAL 46 76.737 0.007 -4.431 176 HG22 VAL 46 HG22 VAL 46 75.372 -1.008 -3.965 177 HG23 VAL 46 HG23 VAL 46 75.225 0.749 -3.908 178 H ARG 47 H ARG 47 73.788 -2.451 -7.843 179 HA ARG 47 HA ARG 47 74.383 -1.161 -10.454 180 HB2 ARG 47 HB2 ARG 47 73.420 -3.062 -11.574 181 HB3 ARG 47 HB3 ARG 47 74.680 -3.617 -10.478 182 HG2 ARG 47 HG2 ARG 47 72.910 -4.158 -8.797 183 HG3 ARG 47 HG3 ARG 47 71.687 -3.723 -9.993 184 HD2 ARG 47 HD2 ARG 47 72.660 -5.434 -11.532 185 HD3 ARG 47 HD3 ARG 47 73.758 -5.917 -10.246 186 HE ARG 47 HE ARG 47 70.922 -5.964 -9.578 187 HH11 ARG 47 HH11 ARG 47 73.697 -7.829 -10.649 188 HH12 ARG 47 HH12 ARG 47 72.983 -9.341 -10.195 189 HH21 ARG 47 HH21 ARG 47 70.053 -7.941 -9.017 190 HH22 ARG 47 HH22 ARG 47 70.946 -9.401 -9.283 191 H GLU 48 H GLU 48 71.791 -2.126 -8.230 192 HA GLU 48 HA GLU 48 69.983 -0.278 -9.688 193 HB2 GLU 48 HB2 GLU 48 69.483 -2.666 -10.217 194 HB3 GLU 48 HB3 GLU 48 69.188 -2.944 -8.500 195 HG2 GLU 48 HG2 GLU 48 67.441 -1.176 -8.542 196 HG3 GLU 48 HG3 GLU 48 67.698 -0.988 -10.271 197 H ALA 49 H ALA 49 68.797 1.077 -8.461 198 HA ALA 49 HA ALA 49 68.560 0.537 -5.572 199 HB1 ALA 49 HB1 ALA 49 69.572 3.056 -6.883 200 HB2 ALA 49 HB2 ALA 49 70.328 2.107 -5.603 201 HB3 ALA 49 HB3 ALA 49 68.884 3.061 -5.258 202 H ARG 50 H ARG 50 66.479 0.382 -5.159 203 HA ARG 50 HA ARG 50 64.518 1.988 -6.644 204 HB2 ARG 50 HB2 ARG 50 64.231 -0.309 -4.692 205 HB3 ARG 50 HB3 ARG 50 62.871 0.545 -5.412 206 HG2 ARG 50 HG2 ARG 50 63.764 -0.044 -7.676 207 HG3 ARG 50 HG3 ARG 50 65.020 -1.001 -6.890 208 HD2 ARG 50 HD2 ARG 50 62.030 -1.440 -6.654 209 HD3 ARG 50 HD3 ARG 50 63.159 -2.447 -7.554 210 HE ARG 50 HE ARG 50 64.063 -2.296 -4.902 211 HH11 ARG 50 HH11 ARG 50 61.331 -3.638 -6.652 212 HH12 ARG 50 HH12 ARG 50 61.085 -4.904 -5.497 213 HH21 ARG 50 HH21 ARG 50 63.699 -3.951 -3.449 214 HH22 ARG 50 HH22 ARG 50 62.410 -5.078 -3.706 215 H ILE 51 H ILE 51 63.421 3.657 -5.703 216 HA ILE 51 HA ILE 51 63.968 4.238 -2.858 217 HB ILE 51 HB ILE 51 63.080 6.096 -5.082 218 HG12 ILE 51 HG12 ILE 51 65.768 5.892 -3.693 219 HG13 ILE 51 HG13 ILE 51 65.424 5.187 -5.274 220 HG21 ILE 51 HG21 ILE 51 63.619 7.877 -3.443 221 HG22 ILE 51 HG22 ILE 51 63.954 6.642 -2.228 222 HG23 ILE 51 HG23 ILE 51 62.320 6.833 -2.865 223 HD11 ILE 51 HD11 ILE 51 65.329 8.119 -4.520 224 HD12 ILE 51 HD12 ILE 51 64.725 7.486 -6.051 225 HD13 ILE 51 HD13 ILE 51 66.436 7.343 -5.652 226 H ASN 52 H ASN 52 62.339 3.948 -1.468 227 HA ASN 52 HA ASN 52 59.597 4.556 -2.317 228 HB2 ASN 52 HB2 ASN 52 60.063 2.051 -2.480 229 HB3 ASN 52 HB3 ASN 52 60.240 2.071 -0.727 230 HD21 ASN 52 HD21 ASN 52 58.329 1.634 0.374 231 HD22 ASN 52 HD22 ASN 52 56.771 1.935 -0.226 232 H GLY 53 H GLY 53 59.373 6.327 -1.029 233 HA2 GLY 53 HA2 GLY 53 59.035 7.539 0.894 234 HA3 GLY 53 HA3 GLY 53 58.843 5.994 1.718 235 H ARG 54 H ARG 54 60.118 5.977 3.449 236 HA ARG 54 HA ARG 54 62.567 7.519 3.576 237 HB2 ARG 54 HB2 ARG 54 60.856 7.028 5.487 238 HB3 ARG 54 HB3 ARG 54 61.714 5.494 5.619 239 HG2 ARG 54 HG2 ARG 54 62.821 6.892 7.157 240 HG3 ARG 54 HG3 ARG 54 63.862 6.918 5.733 241 HD2 ARG 54 HD2 ARG 54 62.790 9.030 5.000 242 HD3 ARG 54 HD3 ARG 54 61.784 9.007 6.445 243 HE ARG 54 HE ARG 54 64.559 8.833 7.099 244 HH11 ARG 54 HH11 ARG 54 62.085 11.137 6.147 245 HH12 ARG 54 HH12 ARG 54 62.893 12.471 6.902 246 HH21 ARG 54 HH21 ARG 54 65.551 10.592 8.055 247 HH22 ARG 54 HH22 ARG 54 64.829 12.164 7.967 248 H GLU 55 H GLU 55 61.827 4.342 2.507 249 HA GLU 55 HA GLU 55 64.480 3.326 3.324 250 HB2 GLU 55 HB2 GLU 55 61.979 1.841 2.487 251 HB3 GLU 55 HB3 GLU 55 63.509 1.091 2.946 252 HG2 GLU 55 HG2 GLU 55 63.351 2.200 5.168 253 HG3 GLU 55 HG3 GLU 55 61.785 2.854 4.709 254 H ILE 56 H ILE 56 65.877 2.540 1.820 255 HA ILE 56 HA ILE 56 65.031 2.561 -1.022 256 HB ILE 56 HB ILE 56 67.823 2.953 0.094 257 HG12 ILE 56 HG12 ILE 56 65.977 4.975 -1.213 258 HG13 ILE 56 HG13 ILE 56 66.251 4.866 0.526 259 HG21 ILE 56 HG21 ILE 56 68.476 3.390 -2.173 260 HG22 ILE 56 HG22 ILE 56 66.801 3.380 -2.723 261 HG23 ILE 56 HG23 ILE 56 67.567 1.880 -2.200 262 HD11 ILE 56 HD11 ILE 56 68.266 5.545 -1.624 263 HD12 ILE 56 HD12 ILE 56 68.740 5.107 0.017 264 HD13 ILE 56 HD13 ILE 56 67.757 6.545 -0.263 265 H ASN 57 H ASN 57 65.103 0.626 -2.031 266 HA ASN 57 HA ASN 57 66.382 -1.626 -0.606 267 HB2 ASN 57 HB2 ASN 57 64.354 -1.580 -2.864 268 HB3 ASN 57 HB3 ASN 57 65.062 -3.046 -2.187 269 HD21 ASN 57 HD21 ASN 57 64.880 -3.007 0.422 270 HD22 ASN 57 HD22 ASN 57 63.343 -2.583 1.001 271 H VAL 58 H VAL 58 68.138 -2.656 -1.502 272 HA VAL 58 HA VAL 58 69.146 -1.518 -4.051 273 HB VAL 58 HB VAL 58 70.757 -2.012 -1.545 274 HG11 VAL 58 HG11 VAL 58 72.373 -0.497 -2.958 275 HG12 VAL 58 HG12 VAL 58 71.397 -1.046 -4.320 276 HG13 VAL 58 HG13 VAL 58 72.263 -2.218 -3.328 277 HG21 VAL 58 HG21 VAL 58 69.157 -0.058 -1.397 278 HG22 VAL 58 HG22 VAL 58 69.996 0.651 -2.776 279 HG23 VAL 58 HG23 VAL 58 70.857 0.383 -1.261 280 H THR 59 H THR 59 70.077 -2.896 -5.418 281 HA THR 59 HA THR 59 70.716 -5.633 -4.473 282 HB THR 59 HB THR 59 69.826 -4.823 -7.253 283 HG1 THR 59 HG1 THR 59 67.928 -5.086 -6.479 284 HG21 THR 59 HG21 THR 59 70.646 -7.389 -5.929 285 HG22 THR 59 HG22 THR 59 71.071 -6.774 -7.527 286 HG23 THR 59 HG23 THR 59 69.459 -7.426 -7.233 287 H LYS 60 H LYS 60 72.778 -6.213 -4.687 288 HA LYS 60 HA LYS 60 74.644 -4.467 -6.076 289 HB2 LYS 60 HB2 LYS 60 75.039 -6.925 -4.371 290 HB3 LYS 60 HB3 LYS 60 76.351 -5.979 -5.075 291 HG2 LYS 60 HG2 LYS 60 75.481 -3.963 -3.901 292 HG3 LYS 60 HG3 LYS 60 74.263 -4.976 -3.122 293 HD2 LYS 60 HD2 LYS 60 76.089 -6.401 -2.193 294 HD3 LYS 60 HD3 LYS 60 77.269 -5.283 -2.875 295 HE2 LYS 60 HE2 LYS 60 75.936 -3.460 -1.571 296 HE3 LYS 60 HE3 LYS 60 75.312 -4.821 -0.638 297 HZ1 LYS 60 HZ1 LYS 60 78.016 -3.737 -0.765 298 HZ2 LYS 60 HZ2 LYS 60 77.870 -5.423 -0.615 299 HZ3 LYS 60 HZ3 LYS 60 77.174 -4.399 0.550 300 H LYS 61 H LYS 61 76.327 -5.350 -7.471 301 HA LYS 61 HA LYS 61 75.495 -6.899 -9.627 302 HB2 LYS 61 HB2 LYS 61 78.283 -6.520 -8.520 303 HB3 LYS 61 HB3 LYS 61 77.916 -7.197 -10.107 304 HG2 LYS 61 HG2 LYS 61 76.700 -5.099 -10.683 305 HG3 LYS 61 HG3 LYS 61 77.194 -4.419 -9.132 306 HD2 LYS 61 HD2 LYS 61 79.580 -4.798 -9.775 307 HD3 LYS 61 HD3 LYS 61 79.031 -5.333 -11.363 308 HE2 LYS 61 HE2 LYS 61 78.018 -3.161 -11.796 309 HE3 LYS 61 HE3 LYS 61 78.419 -2.616 -10.167 310 HZ1 LYS 61 HZ1 LYS 61 79.962 -2.079 -12.199 311 HZ2 LYS 61 HZ2 LYS 61 80.582 -3.624 -11.862 312 HZ3 LYS 61 HZ3 LYS 61 80.614 -2.415 -10.669 313 H ASP 62 H ASP 62 76.812 -7.940 -6.529 314 HA ASP 62 HA ASP 62 77.328 -10.636 -7.425 315 HB2 ASP 62 HB2 ASP 62 78.632 -9.449 -5.638 316 HB3 ASP 62 HB3 ASP 62 77.225 -9.607 -4.591 317 H SER 63 H SER 63 74.421 -9.334 -7.188 318 HA SER 63 HA SER 63 72.337 -10.236 -7.014 319 HB2 SER 63 HB2 SER 63 73.510 -12.348 -7.830 320 HB3 SER 63 HB3 SER 63 73.547 -12.850 -6.144 321 HG SER 63 HG SER 63 71.345 -12.771 -6.157 322 H ASN 64 H ASN 64 74.405 -9.884 -4.385 323 HA ASN 64 HA ASN 64 72.683 -10.878 -2.321 324 HB2 ASN 64 HB2 ASN 64 74.915 -8.833 -2.245 325 HB3 ASN 64 HB3 ASN 64 74.121 -9.509 -0.825 326 HD21 ASN 64 HD21 ASN 64 76.951 -9.844 -1.395 327 HD22 ASN 64 HD22 ASN 64 77.224 -11.500 -1.650 328 H ARG 65 H ARG 65 71.018 -9.854 -1.286 329 HA ARG 65 HA ARG 65 70.330 -7.128 -2.233 330 HB2 ARG 65 HB2 ARG 65 68.558 -9.362 -1.225 331 HB3 ARG 65 HB3 ARG 65 67.999 -7.737 -1.623 332 HG2 ARG 65 HG2 ARG 65 68.921 -8.036 -3.930 333 HG3 ARG 65 HG3 ARG 65 69.314 -9.706 -3.517 334 HD2 ARG 65 HD2 ARG 65 66.548 -8.468 -3.504 335 HD3 ARG 65 HD3 ARG 65 67.164 -9.623 -4.681 336 HE ARG 65 HE ARG 65 67.390 -10.688 -2.058 337 HH11 ARG 65 HH11 ARG 65 64.962 -10.010 -4.502 338 HH12 ARG 65 HH12 ARG 65 63.901 -11.255 -3.935 339 HH21 ARG 65 HH21 ARG 65 65.981 -12.275 -1.374 340 HH22 ARG 65 HH22 ARG 65 64.471 -12.521 -2.186 341 H TYR 66 H TYR 66 69.790 -5.557 -0.796 342 HA TYR 66 HA TYR 66 69.512 -6.189 2.027 343 HB2 TYR 66 HB2 TYR 66 71.285 -4.811 2.798 344 HB3 TYR 66 HB3 TYR 66 71.954 -5.942 1.645 345 HD1 TYR 66 HD1 TYR 66 70.993 -2.413 2.222 346 HD2 TYR 66 HD2 TYR 66 72.973 -5.180 -0.399 347 HE1 TYR 66 HE1 TYR 66 72.025 -0.518 1.003 348 HE2 TYR 66 HE2 TYR 66 73.998 -3.284 -1.623 349 HH TYR 66 HH TYR 66 74.544 -0.795 -0.980 350 H THR 67 H THR 67 68.979 -4.238 3.314 351 HA THR 67 HA THR 67 67.562 -2.203 1.696 352 HB THR 67 HB THR 67 66.622 -3.385 4.322 353 HG1 THR 67 HG1 THR 67 65.305 -4.556 3.100 354 HG21 THR 67 HG21 THR 67 65.305 -1.506 2.341 355 HG22 THR 67 HG22 THR 67 65.935 -1.050 3.924 356 HG23 THR 67 HG23 THR 67 64.556 -2.143 3.806 357 H THR 68 H THR 68 67.966 -0.146 2.236 358 HA THR 68 HA THR 68 69.452 0.371 4.758 359 HB THR 68 HB THR 68 70.915 0.612 2.809 360 HG1 THR 68 HG1 THR 68 71.068 2.095 4.524 361 HG21 THR 68 HG21 THR 68 68.887 2.667 1.882 362 HG22 THR 68 HG22 THR 68 69.168 1.095 1.133 363 HG23 THR 68 HG23 THR 68 70.433 2.323 1.105 364 H TYR 69 H TYR 69 68.858 2.117 5.971 365 HA TYR 69 HA TYR 69 66.359 3.471 5.177 366 HB2 TYR 69 HB2 TYR 69 67.749 3.414 7.861 367 HB3 TYR 69 HB3 TYR 69 66.164 4.085 7.525 368 HD1 TYR 69 HD1 TYR 69 68.124 1.013 7.987 369 HD2 TYR 69 HD2 TYR 69 64.229 2.627 7.170 370 HE1 TYR 69 HE1 TYR 69 67.107 -1.195 8.476 371 HE2 TYR 69 HE2 TYR 69 63.212 0.418 7.658 372 HH TYR 69 HH TYR 69 65.017 -2.155 9.013 373 H ILE 70 H ILE 70 66.232 5.753 5.089 374 HA ILE 70 HA ILE 70 68.843 7.021 4.707 375 HB ILE 70 HB ILE 70 66.116 8.181 4.121 376 HG12 ILE 70 HG12 ILE 70 68.027 6.818 2.195 377 HG13 ILE 70 HG13 ILE 70 66.596 6.034 2.866 378 HG21 ILE 70 HG21 ILE 70 67.313 9.784 2.826 379 HG22 ILE 70 HG22 ILE 70 68.805 8.846 2.910 380 HG23 ILE 70 HG23 ILE 70 68.197 9.665 4.347 381 HD11 ILE 70 HD11 ILE 70 66.689 8.491 1.102 382 HD12 ILE 70 HD12 ILE 70 65.239 7.979 1.964 383 HD13 ILE 70 HD13 ILE 70 65.949 6.934 0.734 384 HA PRO 71 HA PRO 71 68.117 8.608 8.955 385 HB2 PRO 71 HB2 PRO 71 70.339 10.348 8.919 386 HB3 PRO 71 HB3 PRO 71 70.292 8.702 9.571 387 HG2 PRO 71 HG2 PRO 71 71.325 9.677 6.987 388 HG3 PRO 71 HG3 PRO 71 71.854 8.310 7.982 389 HD2 PRO 71 HD2 PRO 71 70.434 7.964 5.696 390 HD3 PRO 71 HD3 PRO 71 70.278 6.861 7.075 391 H VAL 72 H VAL 72 69.011 10.726 6.239 392 HA VAL 72 HA VAL 72 66.765 12.476 6.952 393 HB VAL 72 HB VAL 72 69.528 13.516 6.255 394 HG11 VAL 72 HG11 VAL 72 68.448 15.711 6.887 395 HG12 VAL 72 HG12 VAL 72 66.898 14.870 6.919 396 HG13 VAL 72 HG13 VAL 72 67.807 14.988 5.412 397 HG21 VAL 72 HG21 VAL 72 69.333 14.480 8.618 398 HG22 VAL 72 HG22 VAL 72 69.620 12.743 8.517 399 HG23 VAL 72 HG23 VAL 72 68.001 13.351 8.865 400 H GLN 73 H GLN 73 65.662 13.239 5.160 401 HA GLN 73 HA GLN 73 65.841 11.783 2.796 402 HB2 GLN 73 HB2 GLN 73 64.290 13.406 1.841 403 HB3 GLN 73 HB3 GLN 73 63.832 13.023 3.498 404 HG2 GLN 73 HG2 GLN 73 64.987 15.086 4.270 405 HG3 GLN 73 HG3 GLN 73 65.358 15.482 2.593 406 HE21 GLN 73 HE21 GLN 73 63.686 16.390 1.296 407 HE22 GLN 73 HE22 GLN 73 62.134 16.726 1.895 408 H ASP 74 H ASP 74 67.005 11.908 0.988 409 HA ASP 74 HA ASP 74 68.902 14.175 0.722 410 HB2 ASP 74 HB2 ASP 74 69.782 11.853 1.394 411 HB3 ASP 74 HB3 ASP 74 69.388 11.366 -0.249 412 HA PRO 75 HA PRO 75 66.420 14.258 -3.210 413 HB2 PRO 75 HB2 PRO 75 67.550 17.019 -3.127 414 HB3 PRO 75 HB3 PRO 75 65.905 16.483 -3.527 415 HG2 PRO 75 HG2 PRO 75 66.384 17.636 -1.212 416 HG3 PRO 75 HG3 PRO 75 65.305 16.229 -1.302 417 HD2 PRO 75 HD2 PRO 75 68.170 16.336 -0.384 418 HD3 PRO 75 HD3 PRO 75 66.798 15.438 0.311 419 H LYS 76 H LYS 76 69.673 15.262 -2.347 420 HA LYS 76 HA LYS 76 70.751 15.510 -4.961 421 HB2 LYS 76 HB2 LYS 76 71.767 16.360 -2.793 422 HB3 LYS 76 HB3 LYS 76 72.284 14.701 -2.491 423 HG2 LYS 76 HG2 LYS 76 73.320 14.793 -4.856 424 HG3 LYS 76 HG3 LYS 76 73.116 16.542 -4.731 425 HD2 LYS 76 HD2 LYS 76 74.540 14.896 -2.629 426 HD3 LYS 76 HD3 LYS 76 75.377 15.674 -3.973 427 HE2 LYS 76 HE2 LYS 76 74.173 17.835 -3.208 428 HE3 LYS 76 HE3 LYS 76 73.871 16.966 -1.703 429 HZ1 LYS 76 HZ1 LYS 76 76.590 16.926 -2.774 430 HZ2 LYS 76 HZ2 LYS 76 76.058 16.946 -1.161 431 HZ3 LYS 76 HZ3 LYS 76 76.047 18.376 -2.079 432 H LEU 77 H LEU 77 70.003 12.716 -3.023 433 HA LEU 77 HA LEU 77 71.962 10.919 -3.883 434 HB2 LEU 77 HB2 LEU 77 70.324 10.503 -2.050 435 HB3 LEU 77 HB3 LEU 77 69.068 10.283 -3.268 436 HG LEU 77 HG LEU 77 70.525 8.479 -4.297 437 HD11 LEU 77 HD11 LEU 77 72.167 7.498 -2.564 438 HD12 LEU 77 HD12 LEU 77 72.078 9.071 -1.775 439 HD13 LEU 77 HD13 LEU 77 72.681 8.947 -3.428 440 HD21 LEU 77 HD21 LEU 77 69.823 6.793 -2.696 441 HD22 LEU 77 HD22 LEU 77 68.580 8.042 -2.764 442 HD23 LEU 77 HD23 LEU 77 69.714 8.000 -1.414 443 H LEU 78 H LEU 78 68.956 11.933 -5.441 444 HA LEU 78 HA LEU 78 68.817 9.921 -7.411 445 HB2 LEU 78 HB2 LEU 78 67.948 12.815 -7.617 446 HB3 LEU 78 HB3 LEU 78 67.416 11.500 -8.663 447 HG LEU 78 HG LEU 78 66.998 11.581 -5.660 448 HD11 LEU 78 HD11 LEU 78 64.679 12.103 -6.157 449 HD12 LEU 78 HD12 LEU 78 64.985 11.997 -7.891 450 HD13 LEU 78 HD13 LEU 78 65.698 13.307 -6.948 451 HD21 LEU 78 HD21 LEU 78 65.326 9.740 -6.317 452 HD22 LEU 78 HD22 LEU 78 67.034 9.308 -6.381 453 HD23 LEU 78 HD23 LEU 78 66.164 9.686 -7.867 454 H ASP 79 H ASP 79 70.355 13.126 -7.459 455 HA ASP 79 HA ASP 79 71.266 13.014 -10.126 456 HB2 ASP 79 HB2 ASP 79 72.395 14.503 -7.745 457 HB3 ASP 79 HB3 ASP 79 72.870 14.783 -9.418 458 H ASN 80 H ASN 80 72.781 11.999 -7.088 459 HA ASN 80 HA ASN 80 75.318 11.375 -8.107 460 HB2 ASN 80 HB2 ASN 80 74.576 11.459 -5.669 461 HB3 ASN 80 HB3 ASN 80 73.934 9.836 -5.912 462 HD21 ASN 80 HD21 ASN 80 75.393 8.227 -5.344 463 HD22 ASN 80 HD22 ASN 80 77.082 8.369 -5.427 464 H LEU 81 H LEU 81 72.439 9.294 -7.738 465 HA LEU 81 HA LEU 81 73.605 6.914 -8.650 466 HB2 LEU 81 HB2 LEU 81 70.737 7.852 -8.883 467 HB3 LEU 81 HB3 LEU 81 71.283 6.194 -9.132 468 HG LEU 81 HG LEU 81 71.726 7.745 -6.566 469 HD11 LEU 81 HD11 LEU 81 69.580 5.763 -7.369 470 HD12 LEU 81 HD12 LEU 81 69.353 7.412 -6.784 471 HD13 LEU 81 HD13 LEU 81 69.943 6.161 -5.690 472 HD21 LEU 81 HD21 LEU 81 72.205 4.905 -7.472 473 HD22 LEU 81 HD22 LEU 81 72.032 5.301 -5.763 474 HD23 LEU 81 HD23 LEU 81 73.340 6.017 -6.706 475 H LEU 82 H LEU 82 72.173 9.612 -10.449 476 HA LEU 82 HA LEU 82 72.181 8.256 -12.966 477 HB2 LEU 82 HB2 LEU 82 72.261 11.231 -12.383 478 HB3 LEU 82 HB3 LEU 82 71.904 10.506 -13.949 479 HG LEU 82 HG LEU 82 70.295 10.015 -11.426 480 HD11 LEU 82 HD11 LEU 82 68.567 11.342 -12.859 481 HD12 LEU 82 HD12 LEU 82 69.982 11.939 -13.724 482 HD13 LEU 82 HD13 LEU 82 69.811 12.247 -11.996 483 HD21 LEU 82 HD21 LEU 82 68.652 9.238 -13.315 484 HD22 LEU 82 HD22 LEU 82 69.943 8.149 -12.806 485 HD23 LEU 82 HD23 LEU 82 70.117 9.092 -14.287 486 H THR 83 H THR 83 74.523 10.472 -11.439 487 HA THR 83 HA THR 83 76.363 10.541 -13.549 488 HB THR 83 HB THR 83 77.006 10.605 -10.594 489 HG1 THR 83 HG1 THR 83 76.044 12.434 -10.650 490 HG21 THR 83 HG21 THR 83 78.912 11.963 -11.313 491 HG22 THR 83 HG22 THR 83 78.391 11.837 -12.994 492 HG23 THR 83 HG23 THR 83 78.948 10.402 -12.132 493 H LYS 84 H LYS 84 75.830 8.095 -11.083 494 HA LYS 84 HA LYS 84 78.237 6.623 -11.753 495 HB2 LYS 84 HB2 LYS 84 75.910 5.820 -9.994 496 HB3 LYS 84 HB3 LYS 84 77.468 5.002 -10.095 497 HG2 LYS 84 HG2 LYS 84 77.077 7.880 -9.224 498 HG3 LYS 84 HG3 LYS 84 77.319 6.522 -8.128 499 HD2 LYS 84 HD2 LYS 84 79.497 6.056 -9.317 500 HD3 LYS 84 HD3 LYS 84 79.270 7.568 -10.197 501 HE2 LYS 84 HE2 LYS 84 79.154 7.498 -7.188 502 HE3 LYS 84 HE3 LYS 84 80.692 7.646 -8.038 503 HZ1 LYS 84 HZ1 LYS 84 78.356 9.463 -8.269 504 HZ2 LYS 84 HZ2 LYS 84 79.756 9.570 -9.226 505 HZ3 LYS 84 HZ3 LYS 84 79.850 9.818 -7.548 506 H ASN 85 H ASN 85 75.395 6.907 -13.422 507 HA ASN 85 HA ASN 85 74.308 5.630 -14.970 508 HB2 ASN 85 HB2 ASN 85 76.798 3.909 -14.888 509 HB3 ASN 85 HB3 ASN 85 75.598 3.968 -16.175 510 HD21 ASN 85 HD21 ASN 85 75.203 6.761 -16.414 511 HD22 ASN 85 HD22 ASN 85 76.653 7.482 -16.918 512 H VAL 86 H VAL 86 73.719 5.145 -12.265 513 HA VAL 86 HA VAL 86 73.320 2.235 -12.115 514 HB VAL 86 HB VAL 86 72.831 4.390 -10.041 515 HG11 VAL 86 HG11 VAL 86 72.523 2.591 -8.479 516 HG12 VAL 86 HG12 VAL 86 73.011 1.389 -9.672 517 HG13 VAL 86 HG13 VAL 86 71.477 2.240 -9.854 518 HG21 VAL 86 HG21 VAL 86 75.048 2.329 -10.144 519 HG22 VAL 86 HG22 VAL 86 74.898 3.692 -9.037 520 HG23 VAL 86 HG23 VAL 86 75.247 3.975 -10.742 521 H LYS 87 H LYS 87 71.273 1.325 -12.124 522 HA LYS 87 HA LYS 87 69.193 2.816 -13.421 523 HB2 LYS 87 HB2 LYS 87 69.536 0.344 -13.690 524 HB3 LYS 87 HB3 LYS 87 68.980 0.134 -12.029 525 HG2 LYS 87 HG2 LYS 87 66.843 1.258 -12.628 526 HG3 LYS 87 HG3 LYS 87 67.394 1.367 -14.300 527 HD2 LYS 87 HD2 LYS 87 67.645 -1.130 -14.319 528 HD3 LYS 87 HD3 LYS 87 66.915 -1.171 -12.714 529 HE2 LYS 87 HE2 LYS 87 64.835 -0.376 -13.507 530 HE3 LYS 87 HE3 LYS 87 65.536 0.200 -15.019 531 HZ1 LYS 87 HZ1 LYS 87 65.665 -2.660 -14.339 532 HZ2 LYS 87 HZ2 LYS 87 65.684 -1.916 -15.867 533 HZ3 LYS 87 HZ3 LYS 87 64.235 -2.014 -14.985 534 H VAL 88 H VAL 88 67.411 3.800 -12.547 535 HA VAL 88 HA VAL 88 67.172 3.756 -9.593 536 HB VAL 88 HB VAL 88 66.959 6.219 -11.345 537 HG11 VAL 88 HG11 VAL 88 65.514 6.344 -9.384 538 HG12 VAL 88 HG12 VAL 88 66.919 7.380 -9.127 539 HG13 VAL 88 HG13 VAL 88 66.831 5.804 -8.342 540 HG21 VAL 88 HG21 VAL 88 69.015 6.831 -9.840 541 HG22 VAL 88 HG22 VAL 88 69.267 5.799 -11.248 542 HG23 VAL 88 HG23 VAL 88 69.166 5.085 -9.638 543 H VAL 89 H VAL 89 65.211 3.463 -8.839 544 HA VAL 89 HA VAL 89 62.888 3.854 -10.649 545 HB VAL 89 HB VAL 89 63.107 1.800 -8.435 546 HG11 VAL 89 HG11 VAL 89 61.079 2.288 -10.633 547 HG12 VAL 89 HG12 VAL 89 60.829 2.513 -8.902 548 HG13 VAL 89 HG13 VAL 89 61.068 0.893 -9.554 549 HG21 VAL 89 HG21 VAL 89 63.697 1.637 -11.379 550 HG22 VAL 89 HG22 VAL 89 63.022 0.234 -10.549 551 HG23 VAL 89 HG23 VAL 89 64.565 0.911 -10.025 552 H GLY 90 H GLY 90 61.186 5.032 -9.808 553 HA2 GLY 90 HA2 GLY 90 61.368 5.803 -6.944 554 HA3 GLY 90 HA3 GLY 90 61.010 6.975 -8.206 555 H GLU 91 H GLU 91 59.589 5.391 -5.807 556 HA GLU 91 HA GLU 91 56.968 5.793 -6.999 557 HB2 GLU 91 HB2 GLU 91 57.988 3.089 -6.186 558 HB3 GLU 91 HB3 GLU 91 56.276 3.472 -6.011 559 HG2 GLU 91 HG2 GLU 91 56.523 4.336 -8.492 560 HG3 GLU 91 HG3 GLU 91 57.922 3.263 -8.509 561 HA PRO 92 HA PRO 92 57.453 7.182 -2.616 562 HB2 PRO 92 HB2 PRO 92 55.256 9.022 -3.412 563 HB3 PRO 92 HB3 PRO 92 56.783 9.375 -2.581 564 HG2 PRO 92 HG2 PRO 92 56.390 10.042 -5.127 565 HG3 PRO 92 HG3 PRO 92 57.974 9.509 -4.532 566 HD2 PRO 92 HD2 PRO 92 55.966 7.988 -6.153 567 HD3 PRO 92 HD3 PRO 92 57.742 7.950 -6.230 568 HA PRO 93 HA PRO 93 53.968 4.721 -1.126 569 HB2 PRO 93 HB2 PRO 93 53.996 6.527 1.253 570 HB3 PRO 93 HB3 PRO 93 54.061 4.754 1.180 571 HG2 PRO 93 HG2 PRO 93 56.228 6.125 1.756 572 HG3 PRO 93 HG3 PRO 93 56.319 4.726 0.665 573 HD2 PRO 93 HD2 PRO 93 56.325 7.652 -0.038 574 HD3 PRO 93 HD3 PRO 93 57.302 6.327 -0.714 575 H GLU 94 H GLU 94 51.710 4.882 -1.011 576 HA GLU 94 HA GLU 94 50.601 7.509 -1.710 577 HB2 GLU 94 HB2 GLU 94 50.041 5.495 -3.092 578 HB3 GLU 94 HB3 GLU 94 49.218 4.817 -1.686 579 HG2 GLU 94 HG2 GLU 94 47.772 6.842 -1.595 580 HG3 GLU 94 HG3 GLU 94 48.550 7.437 -3.054 581 H GLU 95 H GLU 95 49.177 8.598 -0.450 582 HA GLU 95 HA GLU 95 48.475 7.413 2.175 583 HB2 GLU 95 HB2 GLU 95 49.597 10.109 1.485 584 HB3 GLU 95 HB3 GLU 95 48.573 9.916 2.908 585 HG2 GLU 95 HG2 GLU 95 50.152 7.868 3.407 586 HG3 GLU 95 HG3 GLU 95 51.267 8.723 2.342 587 HA PRO 96 HA PRO 96 44.504 8.372 -0.054 588 HB2 PRO 96 HB2 PRO 96 43.567 7.029 2.453 589 HB3 PRO 96 HB3 PRO 96 42.996 6.827 0.785 590 HG2 PRO 96 HG2 PRO 96 44.582 5.032 1.949 591 HG3 PRO 96 HG3 PRO 96 44.702 5.413 0.223 592 HD2 PRO 96 HD2 PRO 96 46.567 6.105 2.419 593 HD3 PRO 96 HD3 PRO 96 46.878 5.950 0.679 594 H LEU 97 H LEU 97 45.492 8.963 3.285 595 HA LEU 97 HA LEU 97 43.606 11.224 3.462 596 HB2 LEU 97 HB2 LEU 97 45.380 10.019 5.603 597 HB3 LEU 97 HB3 LEU 97 44.158 11.267 5.840 598 HG LEU 97 HG LEU 97 43.591 8.471 4.809 599 HD11 LEU 97 HD11 LEU 97 42.997 9.695 7.521 600 HD12 LEU 97 HD12 LEU 97 44.314 8.563 7.206 601 HD13 LEU 97 HD13 LEU 97 42.639 8.045 7.011 602 HD21 LEU 97 HD21 LEU 97 41.893 10.889 5.429 603 HD22 LEU 97 HD22 LEU 97 41.211 9.263 5.484 604 HD23 LEU 97 HD23 LEU 97 41.888 9.885 3.979 605 H GLU 98 H GLU 98 44.322 13.263 3.216 606 HA GLU 98 HA GLU 98 47.247 13.677 3.012 607 HB2 GLU 98 HB2 GLU 98 44.959 15.237 1.791 608 HB3 GLU 98 HB3 GLU 98 46.670 15.630 1.612 609 HG2 GLU 98 HG2 GLU 98 47.051 13.381 0.616 610 HG3 GLU 98 HG3 GLU 98 45.325 13.064 0.723 611 H HIS 99 H HIS 99 48.236 14.999 4.380 612 HA HIS 99 HA HIS 99 46.936 16.187 6.593 613 HB2 HIS 99 HB2 HIS 99 49.663 16.708 5.415 614 HB3 HIS 99 HB3 HIS 99 49.116 17.306 6.970 615 HD1 HIS 99 HD1 HIS 99 50.275 14.217 5.212 616 HD2 HIS 99 HD2 HIS 99 48.974 15.310 9.019 617 HE1 HIS 99 HE1 HIS 99 50.828 12.278 6.741 618 H HIS 100 H HIS 100 47.587 17.387 3.373 619 HA HIS 100 HA HIS 100 47.734 20.130 3.828 620 HB2 HIS 100 HB2 HIS 100 46.535 18.646 1.493 621 HB3 HIS 100 HB3 HIS 100 46.907 20.359 1.501 622 HD1 HIS 100 HD1 HIS 100 48.475 16.978 1.269 623 HD2 HIS 100 HD2 HIS 100 49.709 20.959 1.349 624 HE1 HIS 100 HE1 HIS 100 50.909 16.987 0.574 625 H HIS 101 H HIS 101 44.903 18.041 3.835 626 HA HIS 101 HA HIS 101 42.901 19.931 3.373 627 HB2 HIS 101 HB2 HIS 101 42.929 17.439 5.059 628 HB3 HIS 101 HB3 HIS 101 41.485 18.407 4.834 629 HD1 HIS 101 HD1 HIS 101 43.733 15.983 3.106 630 HD2 HIS 101 HD2 HIS 101 40.378 18.276 2.187 631 HE1 HIS 101 HE1 HIS 101 42.851 15.106 0.902 632 H HIS 102 H HIS 102 44.653 19.171 6.351 633 HA HIS 102 HA HIS 102 43.076 20.580 8.176 634 HB2 HIS 102 HB2 HIS 102 46.064 20.159 8.121 635 HB3 HIS 102 HB3 HIS 102 45.191 20.819 9.490 636 HD1 HIS 102 HD1 HIS 102 46.138 17.656 7.861 637 HD2 HIS 102 HD2 HIS 102 43.376 18.877 10.736 638 HE1 HIS 102 HE1 HIS 102 45.343 15.555 9.028 639 H HIS 103 H HIS 103 45.620 21.737 5.999 640 HA HIS 103 HA HIS 103 45.927 24.325 7.003 641 HB2 HIS 103 HB2 HIS 103 46.133 23.277 4.186 642 HB3 HIS 103 HB3 HIS 103 46.584 24.907 4.645 643 HD1 HIS 103 HD1 HIS 103 47.524 21.300 5.369 644 HD2 HIS 103 HD2 HIS 103 49.159 25.123 5.682 645 HE1 HIS 103 HE1 HIS 103 49.946 20.989 6.035 646 H HIS 104 H HIS 104 43.373 22.993 4.978 647 HA HIS 104 HA HIS 104 42.263 25.625 4.413 648 HB2 HIS 104 HB2 HIS 104 42.181 23.772 2.755 649 HB3 HIS 104 HB3 HIS 104 41.133 22.883 3.844 650 HD1 HIS 104 HD1 HIS 104 41.164 26.296 2.126 651 HD2 HIS 104 HD2 HIS 104 38.471 23.339 3.304 652 HE1 HIS 104 HE1 HIS 104 38.884 27.041 1.317 Start of MODEL 20 1 H1 MET 23 HT1 MET 23 62.641 -14.955 1.327 2 H2 MET 23 HT2 MET 23 61.214 -14.428 2.085 3 H3 MET 23 HT3 MET 23 61.456 -14.139 0.429 4 HA MET 23 HA MET 23 60.428 -16.465 1.753 5 HB2 MET 23 HB2 MET 23 60.512 -15.488 -1.116 6 HB3 MET 23 HB3 MET 23 59.566 -16.869 -0.557 7 HG2 MET 23 HG2 MET 23 58.428 -15.337 1.084 8 HG3 MET 23 HG3 MET 23 59.261 -13.984 0.319 9 HE1 MET 23 HE1 MET 23 59.132 -15.098 -2.937 10 HE2 MET 23 HE2 MET 23 59.346 -13.586 -2.058 11 HE3 MET 23 HE3 MET 23 57.998 -13.764 -3.180 12 H ALA 24 H ALA 24 62.963 -15.779 -0.646 13 HA ALA 24 HA ALA 24 63.646 -18.574 -0.938 14 HB1 ALA 24 HB1 ALA 24 64.850 -16.007 -1.970 15 HB2 ALA 24 HB2 ALA 24 63.994 -17.254 -2.878 16 HB3 ALA 24 HB3 ALA 24 65.608 -17.577 -2.242 17 H SER 25 H SER 25 64.981 -19.689 0.329 18 HA SER 25 HA SER 25 66.161 -18.630 2.650 19 HB2 SER 25 HB2 SER 25 65.614 -21.039 2.282 20 HB3 SER 25 HB3 SER 25 66.977 -21.140 1.172 21 HG SER 25 HG SER 25 68.051 -21.451 2.937 22 H GLU 26 H GLU 26 67.505 -19.258 -0.569 23 HA GLU 26 HA GLU 26 70.206 -18.724 0.067 24 HB2 GLU 26 HB2 GLU 26 68.717 -18.425 -2.550 25 HB3 GLU 26 HB3 GLU 26 70.472 -18.365 -2.379 26 HG2 GLU 26 HG2 GLU 26 70.425 -20.641 -1.376 27 HG3 GLU 26 HG3 GLU 26 68.688 -20.703 -1.647 28 H SER 27 H SER 27 67.530 -16.611 -0.897 29 HA SER 27 HA SER 27 69.044 -14.313 -1.471 30 HB2 SER 27 HB2 SER 27 67.005 -13.120 -1.389 31 HB3 SER 27 HB3 SER 27 66.566 -14.739 -1.921 32 HG SER 27 HG SER 27 65.735 -15.099 0.026 33 H ASN 28 H ASN 28 69.955 -12.774 -0.264 34 HA ASN 28 HA ASN 28 69.758 -12.977 2.669 35 HB2 ASN 28 HB2 ASN 28 71.760 -11.553 0.899 36 HB3 ASN 28 HB3 ASN 28 71.782 -11.531 2.660 37 HD21 ASN 28 HD21 ASN 28 73.897 -12.662 0.964 38 HD22 ASN 28 HD22 ASN 28 73.977 -14.319 1.325 39 H GLY 29 H GLY 29 69.483 -11.028 3.913 40 HA2 GLY 29 HA2 GLY 29 68.526 -8.665 2.431 41 HA3 GLY 29 HA3 GLY 29 67.522 -9.343 3.713 42 H ARG 30 H ARG 30 70.935 -8.429 3.223 43 HA ARG 30 HA ARG 30 71.526 -8.148 5.982 44 HB2 ARG 30 HB2 ARG 30 72.892 -6.782 3.650 45 HB3 ARG 30 HB3 ARG 30 73.568 -7.043 5.255 46 HG2 ARG 30 HG2 ARG 30 72.689 -9.288 3.422 47 HG3 ARG 30 HG3 ARG 30 74.348 -8.700 3.521 48 HD2 ARG 30 HD2 ARG 30 72.748 -9.834 5.836 49 HD3 ARG 30 HD3 ARG 30 74.010 -10.679 4.953 50 HE ARG 30 HE ARG 30 75.319 -8.481 5.759 51 HH11 ARG 30 HH11 ARG 30 73.236 -10.652 7.567 52 HH12 ARG 30 HH12 ARG 30 74.063 -10.361 9.062 53 HH21 ARG 30 HH21 ARG 30 76.342 -8.145 7.711 54 HH22 ARG 30 HH22 ARG 30 75.799 -8.958 9.140 55 H LYS 31 H LYS 31 71.570 -6.370 7.343 56 HA LYS 31 HA LYS 31 70.009 -4.045 6.524 57 HB2 LYS 31 HB2 LYS 31 71.378 -4.734 9.139 58 HB3 LYS 31 HB3 LYS 31 70.384 -3.301 8.873 59 HG2 LYS 31 HG2 LYS 31 68.480 -4.785 8.241 60 HG3 LYS 31 HG3 LYS 31 69.475 -6.184 8.642 61 HD2 LYS 31 HD2 LYS 31 69.745 -5.278 10.954 62 HD3 LYS 31 HD3 LYS 31 68.630 -3.976 10.538 63 HE2 LYS 31 HE2 LYS 31 67.334 -5.684 11.629 64 HE3 LYS 31 HE3 LYS 31 66.940 -5.755 9.912 65 HZ1 LYS 31 HZ1 LYS 31 67.393 -7.948 10.948 66 HZ2 LYS 31 HZ2 LYS 31 68.998 -7.454 11.207 67 HZ3 LYS 31 HZ3 LYS 31 68.395 -7.596 9.625 68 H VAL 32 H VAL 32 70.842 -2.035 6.067 69 HA VAL 32 HA VAL 32 73.761 -1.661 6.365 70 HB VAL 32 HB VAL 32 72.175 -1.060 3.856 71 HG11 VAL 32 HG11 VAL 32 74.393 -0.546 2.897 72 HG12 VAL 32 HG12 VAL 32 75.140 -0.836 4.468 73 HG13 VAL 32 HG13 VAL 32 74.032 0.520 4.255 74 HG21 VAL 32 HG21 VAL 32 73.746 -2.833 2.911 75 HG22 VAL 32 HG22 VAL 32 72.492 -3.434 3.997 76 HG23 VAL 32 HG23 VAL 32 74.147 -3.244 4.579 77 H ASP 33 H ASP 33 74.332 0.217 7.165 78 HA ASP 33 HA ASP 33 72.456 2.306 7.756 79 HB2 ASP 33 HB2 ASP 33 75.478 2.189 7.933 80 HB3 ASP 33 HB3 ASP 33 74.495 3.503 8.569 81 H TYR 34 H TYR 34 72.378 4.414 6.850 82 HA TYR 34 HA TYR 34 72.554 4.614 4.085 83 HB2 TYR 34 HB2 TYR 34 71.204 6.125 5.405 84 HB3 TYR 34 HB3 TYR 34 72.627 6.768 6.197 85 HD1 TYR 34 HD1 TYR 34 72.163 6.068 2.556 86 HD2 TYR 34 HD2 TYR 34 72.532 9.053 5.622 87 HE1 TYR 34 HE1 TYR 34 72.339 7.831 0.822 88 HE2 TYR 34 HE2 TYR 34 72.696 10.816 3.885 89 HH TYR 34 HH TYR 34 72.419 11.206 1.639 90 H SER 35 H SER 35 74.985 5.453 6.531 91 HA SER 35 HA SER 35 76.781 6.825 4.865 92 HB2 SER 35 HB2 SER 35 76.926 6.677 7.364 93 HB3 SER 35 HB3 SER 35 77.495 5.020 7.187 94 HG SER 35 HG SER 35 78.920 7.150 7.078 95 H THR 36 H THR 36 76.454 3.366 5.582 96 HA THR 36 HA THR 36 78.786 2.548 4.163 97 HB THR 36 HB THR 36 76.297 0.928 4.752 98 HG1 THR 36 HG1 THR 36 77.015 0.895 6.697 99 HG21 THR 36 HG21 THR 36 77.783 -0.985 4.573 100 HG22 THR 36 HG22 THR 36 79.172 0.072 4.333 101 HG23 THR 36 HG23 THR 36 77.917 -0.027 3.099 102 H PHE 37 H PHE 37 75.377 2.882 3.243 103 HA PHE 37 HA PHE 37 75.525 1.746 0.697 104 HB2 PHE 37 HB2 PHE 37 73.409 2.341 1.708 105 HB3 PHE 37 HB3 PHE 37 73.841 4.039 1.709 106 HD1 PHE 37 HD2 PHE 37 72.719 1.193 -0.348 107 HD2 PHE 37 HD1 PHE 37 73.755 5.360 -0.334 108 HE1 PHE 37 HE2 PHE 37 71.702 1.458 -2.596 109 HE2 PHE 37 HE1 PHE 37 72.739 5.623 -2.579 110 HZ PHE 37 HZ PHE 37 71.710 3.671 -3.710 111 H LEU 38 H LEU 38 76.195 5.104 1.712 112 HA LEU 38 HA LEU 38 76.542 6.160 -0.867 113 HB2 LEU 38 HB2 LEU 38 77.850 7.008 1.729 114 HB3 LEU 38 HB3 LEU 38 77.790 7.975 0.255 115 HG LEU 38 HG LEU 38 75.330 6.934 1.688 116 HD11 LEU 38 HD11 LEU 38 76.149 8.506 3.209 117 HD12 LEU 38 HD12 LEU 38 75.141 9.509 2.167 118 HD13 LEU 38 HD13 LEU 38 76.890 9.490 1.946 119 HD21 LEU 38 HD21 LEU 38 75.852 8.718 -0.684 120 HD22 LEU 38 HD22 LEU 38 74.370 8.900 0.257 121 HD23 LEU 38 HD23 LEU 38 74.725 7.368 -0.542 122 H GLN 39 H GLN 39 78.876 4.652 1.343 123 HA GLN 39 HA GLN 39 81.174 5.119 -0.234 124 HB2 GLN 39 HB2 GLN 39 81.210 4.312 2.131 125 HB3 GLN 39 HB3 GLN 39 80.660 2.736 1.562 126 HG2 GLN 39 HG2 GLN 39 82.647 2.533 0.136 127 HG3 GLN 39 HG3 GLN 39 83.194 4.125 0.648 128 HE21 GLN 39 HE21 GLN 39 84.961 2.083 1.113 129 HE22 GLN 39 HE22 GLN 39 84.998 1.670 2.759 130 H GLU 40 H GLU 40 78.883 2.408 -0.199 131 HA GLU 40 HA GLU 40 80.239 0.797 -2.059 132 HB2 GLU 40 HB2 GLU 40 78.368 0.063 -0.566 133 HB3 GLU 40 HB3 GLU 40 77.250 0.908 -1.639 134 HG2 GLU 40 HG2 GLU 40 78.082 -0.447 -3.541 135 HG3 GLU 40 HG3 GLU 40 79.137 -1.322 -2.441 136 H VAL 41 H VAL 41 77.764 3.295 -2.524 137 HA VAL 41 HA VAL 41 77.420 3.057 -5.282 138 HB VAL 41 HB VAL 41 77.374 5.557 -3.570 139 HG11 VAL 41 HG11 VAL 41 76.206 5.000 -6.314 140 HG12 VAL 41 HG12 VAL 41 77.510 6.130 -5.945 141 HG13 VAL 41 HG13 VAL 41 75.878 6.442 -5.352 142 HG21 VAL 41 HG21 VAL 41 74.985 4.000 -4.533 143 HG22 VAL 41 HG22 VAL 41 75.110 5.103 -3.163 144 HG23 VAL 41 HG23 VAL 41 75.831 3.498 -3.071 145 H ASN 42 H ASN 42 79.786 5.009 -3.458 146 HA ASN 42 HA ASN 42 81.121 6.144 -5.644 147 HB2 ASN 42 HB2 ASN 42 82.168 5.365 -2.915 148 HB3 ASN 42 HB3 ASN 42 83.043 6.373 -4.069 149 HD21 ASN 42 HD21 ASN 42 81.253 6.715 -1.347 150 HD22 ASN 42 HD22 ASN 42 80.496 8.198 -1.671 151 H ASN 43 H ASN 43 81.416 2.954 -4.206 152 HA ASN 43 HA ASN 43 83.757 2.269 -5.784 153 HB2 ASN 43 HB2 ASN 43 81.994 0.590 -3.993 154 HB3 ASN 43 HB3 ASN 43 83.476 0.026 -4.761 155 HD21 ASN 43 HD21 ASN 43 82.873 0.408 -1.819 156 HD22 ASN 43 HD22 ASN 43 84.084 1.457 -1.259 157 H ASP 44 H ASP 44 80.704 2.677 -6.812 158 HA ASP 44 HA ASP 44 79.416 1.837 -8.505 159 HB2 ASP 44 HB2 ASP 44 81.623 2.511 -9.604 160 HB3 ASP 44 HB3 ASP 44 82.007 0.791 -9.632 161 H GLN 45 H GLN 45 79.738 0.047 -6.234 162 HA GLN 45 HA GLN 45 79.747 -2.598 -7.493 163 HB2 GLN 45 HB2 GLN 45 79.453 -1.791 -4.597 164 HB3 GLN 45 HB3 GLN 45 79.510 -3.451 -5.185 165 HG2 GLN 45 HG2 GLN 45 81.689 -1.378 -5.570 166 HG3 GLN 45 HG3 GLN 45 81.729 -2.691 -4.395 167 HE21 GLN 45 HE21 GLN 45 82.965 -1.898 -7.342 168 HE22 GLN 45 HE22 GLN 45 83.110 -3.444 -8.026 169 H VAL 46 H VAL 46 77.440 -0.209 -6.488 170 HA VAL 46 HA VAL 46 75.256 -2.085 -6.147 171 HB VAL 46 HB VAL 46 75.182 0.934 -6.436 172 HG11 VAL 46 HG11 VAL 46 73.170 -1.128 -5.505 173 HG12 VAL 46 HG12 VAL 46 73.000 0.018 -6.835 174 HG13 VAL 46 HG13 VAL 46 73.004 0.595 -5.168 175 HG21 VAL 46 HG21 VAL 46 76.448 0.587 -4.486 176 HG22 VAL 46 HG22 VAL 46 75.586 -0.897 -4.079 177 HG23 VAL 46 HG23 VAL 46 74.799 0.666 -3.863 178 H ARG 47 H ARG 47 73.704 -2.617 -7.632 179 HA ARG 47 HA ARG 47 74.207 -1.735 -10.404 180 HB2 ARG 47 HB2 ARG 47 74.279 -4.171 -9.919 181 HB3 ARG 47 HB3 ARG 47 72.597 -4.092 -9.395 182 HG2 ARG 47 HG2 ARG 47 71.981 -3.214 -11.652 183 HG3 ARG 47 HG3 ARG 47 73.654 -3.443 -12.162 184 HD2 ARG 47 HD2 ARG 47 71.829 -5.631 -11.128 185 HD3 ARG 47 HD3 ARG 47 72.230 -5.359 -12.821 186 HE ARG 47 HE ARG 47 74.593 -5.639 -11.250 187 HH11 ARG 47 HH11 ARG 47 72.013 -7.548 -12.673 188 HH12 ARG 47 HH12 ARG 47 72.989 -8.975 -12.773 189 HH21 ARG 47 HH21 ARG 47 75.801 -7.507 -11.407 190 HH22 ARG 47 HH22 ARG 47 75.107 -8.951 -12.065 191 H GLU 48 H GLU 48 71.565 -2.321 -8.095 192 HA GLU 48 HA GLU 48 69.889 -0.400 -9.597 193 HB2 GLU 48 HB2 GLU 48 69.272 -2.746 -10.183 194 HB3 GLU 48 HB3 GLU 48 68.930 -3.044 -8.478 195 HG2 GLU 48 HG2 GLU 48 67.272 -1.198 -8.514 196 HG3 GLU 48 HG3 GLU 48 67.572 -0.979 -10.232 197 H ALA 49 H ALA 49 68.639 0.933 -8.369 198 HA ALA 49 HA ALA 49 68.376 0.355 -5.489 199 HB1 ALA 49 HB1 ALA 49 69.056 2.512 -4.837 200 HB2 ALA 49 HB2 ALA 49 68.933 3.143 -6.480 201 HB3 ALA 49 HB3 ALA 49 70.245 2.044 -6.054 202 H ARG 50 H ARG 50 66.286 0.187 -5.104 203 HA ARG 50 HA ARG 50 64.340 1.805 -6.589 204 HB2 ARG 50 HB2 ARG 50 64.037 -0.445 -4.585 205 HB3 ARG 50 HB3 ARG 50 62.680 0.411 -5.312 206 HG2 ARG 50 HG2 ARG 50 63.546 -0.238 -7.571 207 HG3 ARG 50 HG3 ARG 50 64.796 -1.196 -6.776 208 HD2 ARG 50 HD2 ARG 50 61.802 -1.591 -6.505 209 HD3 ARG 50 HD3 ARG 50 62.911 -2.632 -7.391 210 HE ARG 50 HE ARG 50 62.600 -2.468 -4.495 211 HH11 ARG 50 HH11 ARG 50 64.533 -3.685 -7.162 212 HH12 ARG 50 HH12 ARG 50 65.303 -4.890 -6.184 213 HH21 ARG 50 HH21 ARG 50 63.626 -4.037 -3.287 214 HH22 ARG 50 HH22 ARG 50 64.796 -5.086 -4.018 215 H ILE 51 H ILE 51 63.317 3.531 -5.693 216 HA ILE 51 HA ILE 51 63.903 4.161 -2.862 217 HB ILE 51 HB ILE 51 63.267 6.031 -5.159 218 HG12 ILE 51 HG12 ILE 51 65.881 5.609 -3.683 219 HG13 ILE 51 HG13 ILE 51 65.512 4.878 -5.245 220 HG21 ILE 51 HG21 ILE 51 64.101 6.571 -2.292 221 HG22 ILE 51 HG22 ILE 51 62.524 6.922 -3.000 222 HG23 ILE 51 HG23 ILE 51 63.953 7.797 -3.552 223 HD11 ILE 51 HD11 ILE 51 65.657 7.838 -4.617 224 HD12 ILE 51 HD12 ILE 51 65.085 7.183 -6.150 225 HD13 ILE 51 HD13 ILE 51 66.754 6.919 -5.647 226 H ASN 52 H ASN 52 62.246 4.079 -1.511 227 HA ASN 52 HA ASN 52 59.593 4.963 -2.404 228 HB2 ASN 52 HB2 ASN 52 59.776 2.415 -2.451 229 HB3 ASN 52 HB3 ASN 52 59.948 2.496 -0.699 230 HD21 ASN 52 HD21 ASN 52 57.846 1.372 -0.469 231 HD22 ASN 52 HD22 ASN 52 56.395 2.216 -0.724 232 H GLY 53 H GLY 53 59.535 6.794 -1.192 233 HA2 GLY 53 HA2 GLY 53 59.397 8.137 0.671 234 HA3 GLY 53 HA3 GLY 53 59.064 6.667 1.582 235 H ARG 54 H ARG 54 60.390 6.612 3.279 236 HA ARG 54 HA ARG 54 63.016 7.830 3.219 237 HB2 ARG 54 HB2 ARG 54 61.434 7.846 5.208 238 HB3 ARG 54 HB3 ARG 54 61.849 6.147 5.432 239 HG2 ARG 54 HG2 ARG 54 64.218 6.721 5.662 240 HG3 ARG 54 HG3 ARG 54 63.852 8.422 5.365 241 HD2 ARG 54 HD2 ARG 54 64.033 8.137 7.747 242 HD3 ARG 54 HD3 ARG 54 62.325 8.350 7.373 243 HE ARG 54 HE ARG 54 63.277 5.595 7.499 244 HH11 ARG 54 HH11 ARG 54 61.678 8.214 9.206 245 HH12 ARG 54 HH12 ARG 54 60.955 7.149 10.365 246 HH21 ARG 54 HH21 ARG 54 62.320 4.275 9.020 247 HH22 ARG 54 HH22 ARG 54 61.315 4.947 10.260 248 H GLU 55 H GLU 55 61.840 4.693 2.436 249 HA GLU 55 HA GLU 55 64.365 3.414 3.271 250 HB2 GLU 55 HB2 GLU 55 61.712 2.209 2.457 251 HB3 GLU 55 HB3 GLU 55 63.141 1.294 2.940 252 HG2 GLU 55 HG2 GLU 55 63.122 2.480 5.129 253 HG3 GLU 55 HG3 GLU 55 61.644 3.301 4.648 254 H ILE 56 H ILE 56 65.714 2.467 1.825 255 HA ILE 56 HA ILE 56 64.903 2.425 -1.027 256 HB ILE 56 HB ILE 56 67.702 2.802 0.081 257 HG12 ILE 56 HG12 ILE 56 65.943 4.805 -1.364 258 HG13 ILE 56 HG13 ILE 56 66.143 4.766 0.388 259 HG21 ILE 56 HG21 ILE 56 68.380 3.094 -2.199 260 HG22 ILE 56 HG22 ILE 56 66.710 3.123 -2.761 261 HG23 ILE 56 HG23 ILE 56 67.415 1.620 -2.166 262 HD11 ILE 56 HD11 ILE 56 68.530 5.162 0.182 263 HD12 ILE 56 HD12 ILE 56 67.678 6.395 -0.747 264 HD13 ILE 56 HD13 ILE 56 68.440 5.041 -1.575 265 H ASN 57 H ASN 57 64.945 0.453 -1.951 266 HA ASN 57 HA ASN 57 66.266 -1.752 -0.479 267 HB2 ASN 57 HB2 ASN 57 64.196 -1.859 -2.699 268 HB3 ASN 57 HB3 ASN 57 64.866 -3.249 -1.847 269 HD21 ASN 57 HD21 ASN 57 64.837 -2.338 0.819 270 HD22 ASN 57 HD22 ASN 57 63.234 -2.051 1.295 271 H VAL 58 H VAL 58 68.019 -2.768 -1.411 272 HA VAL 58 HA VAL 58 68.893 -1.667 -4.026 273 HB VAL 58 HB VAL 58 70.626 -2.091 -1.589 274 HG11 VAL 58 HG11 VAL 58 72.059 -2.281 -3.425 275 HG12 VAL 58 HG12 VAL 58 72.127 -0.548 -3.112 276 HG13 VAL 58 HG13 VAL 58 71.108 -1.170 -4.409 277 HG21 VAL 58 HG21 VAL 58 68.971 -0.160 -1.417 278 HG22 VAL 58 HG22 VAL 58 69.779 0.548 -2.816 279 HG23 VAL 58 HG23 VAL 58 70.669 0.296 -1.314 280 H THR 59 H THR 59 69.864 -3.018 -5.400 281 HA THR 59 HA THR 59 70.531 -5.753 -4.469 282 HB THR 59 HB THR 59 69.654 -4.889 -7.239 283 HG1 THR 59 HG1 THR 59 67.745 -5.590 -6.644 284 HG21 THR 59 HG21 THR 59 70.586 -7.465 -6.026 285 HG22 THR 59 HG22 THR 59 70.913 -6.796 -7.625 286 HG23 THR 59 HG23 THR 59 69.343 -7.518 -7.275 287 H LYS 60 H LYS 60 72.622 -6.271 -4.612 288 HA LYS 60 HA LYS 60 74.497 -4.487 -5.914 289 HB2 LYS 60 HB2 LYS 60 74.886 -7.075 -4.398 290 HB3 LYS 60 HB3 LYS 60 76.196 -6.061 -5.005 291 HG2 LYS 60 HG2 LYS 60 75.290 -4.160 -3.668 292 HG3 LYS 60 HG3 LYS 60 74.083 -5.253 -2.988 293 HD2 LYS 60 HD2 LYS 60 75.930 -6.727 -2.174 294 HD3 LYS 60 HD3 LYS 60 77.093 -5.531 -2.744 295 HE2 LYS 60 HE2 LYS 60 75.733 -3.853 -1.289 296 HE3 LYS 60 HE3 LYS 60 75.101 -5.297 -0.499 297 HZ1 LYS 60 HZ1 LYS 60 76.972 -4.765 0.735 298 HZ2 LYS 60 HZ2 LYS 60 77.886 -4.332 -0.630 299 HZ3 LYS 60 HZ3 LYS 60 77.546 -5.966 -0.315 300 H LYS 61 H LYS 61 76.097 -5.231 -7.465 301 HA LYS 61 HA LYS 61 75.098 -6.630 -9.649 302 HB2 LYS 61 HB2 LYS 61 77.341 -6.649 -10.518 303 HB3 LYS 61 HB3 LYS 61 77.078 -5.126 -9.676 304 HG2 LYS 61 HG2 LYS 61 78.213 -6.094 -7.666 305 HG3 LYS 61 HG3 LYS 61 78.567 -7.544 -8.608 306 HD2 LYS 61 HD2 LYS 61 79.685 -6.000 -10.310 307 HD3 LYS 61 HD3 LYS 61 79.571 -4.732 -9.089 308 HE2 LYS 61 HE2 LYS 61 80.738 -6.363 -7.498 309 HE3 LYS 61 HE3 LYS 61 81.096 -7.336 -8.923 310 HZ1 LYS 61 HZ1 LYS 61 81.730 -4.460 -8.896 311 HZ2 LYS 61 HZ2 LYS 61 82.436 -5.706 -9.811 312 HZ3 LYS 61 HZ3 LYS 61 82.782 -5.565 -8.153 313 H ASP 62 H ASP 62 76.446 -7.932 -6.711 314 HA ASP 62 HA ASP 62 76.980 -10.535 -7.905 315 HB2 ASP 62 HB2 ASP 62 78.386 -9.388 -6.091 316 HB3 ASP 62 HB3 ASP 62 77.113 -9.876 -4.974 317 H SER 63 H SER 63 74.123 -9.294 -7.365 318 HA SER 63 HA SER 63 72.067 -10.229 -7.152 319 HB2 SER 63 HB2 SER 63 71.757 -12.492 -7.415 320 HB3 SER 63 HB3 SER 63 73.373 -12.291 -8.073 321 HG SER 63 HG SER 63 72.997 -13.978 -6.441 322 H ASN 64 H ASN 64 74.260 -10.054 -4.593 323 HA ASN 64 HA ASN 64 72.551 -11.062 -2.520 324 HB2 ASN 64 HB2 ASN 64 74.886 -9.138 -2.429 325 HB3 ASN 64 HB3 ASN 64 74.097 -9.830 -1.013 326 HD21 ASN 64 HD21 ASN 64 76.893 -10.284 -1.698 327 HD22 ASN 64 HD22 ASN 64 77.067 -11.942 -2.019 328 H ARG 65 H ARG 65 71.032 -9.952 -1.295 329 HA ARG 65 HA ARG 65 70.389 -7.210 -2.229 330 HB2 ARG 65 HB2 ARG 65 68.578 -9.325 -1.055 331 HB3 ARG 65 HB3 ARG 65 68.082 -7.691 -1.492 332 HG2 ARG 65 HG2 ARG 65 68.884 -8.149 -3.832 333 HG3 ARG 65 HG3 ARG 65 69.150 -9.826 -3.356 334 HD2 ARG 65 HD2 ARG 65 66.511 -8.342 -3.308 335 HD3 ARG 65 HD3 ARG 65 66.967 -9.625 -4.421 336 HE ARG 65 HE ARG 65 67.171 -10.499 -1.712 337 HH11 ARG 65 HH11 ARG 65 64.813 -9.901 -4.244 338 HH12 ARG 65 HH12 ARG 65 63.648 -10.979 -3.551 339 HH21 ARG 65 HH21 ARG 65 65.621 -11.863 -0.859 340 HH22 ARG 65 HH22 ARG 65 64.102 -12.078 -1.663 341 H TYR 66 H TYR 66 69.844 -5.630 -0.775 342 HA TYR 66 HA TYR 66 69.763 -6.240 2.064 343 HB2 TYR 66 HB2 TYR 66 71.519 -4.788 2.724 344 HB3 TYR 66 HB3 TYR 66 72.169 -5.887 1.530 345 HD1 TYR 66 HD1 TYR 66 71.080 -2.409 2.172 346 HD2 TYR 66 HD2 TYR 66 73.032 -5.078 -0.569 347 HE1 TYR 66 HE1 TYR 66 71.952 -0.467 0.904 348 HE2 TYR 66 HE2 TYR 66 73.901 -3.135 -1.840 349 HH TYR 66 HH TYR 66 74.354 -0.721 -1.367 350 H THR 67 H THR 67 69.202 -4.300 3.357 351 HA THR 67 HA THR 67 67.608 -2.354 1.788 352 HB THR 67 HB THR 67 66.873 -3.531 4.482 353 HG1 THR 67 HG1 THR 67 65.822 -4.023 1.951 354 HG21 THR 67 HG21 THR 67 65.561 -1.579 2.588 355 HG22 THR 67 HG22 THR 67 65.931 -1.358 4.298 356 HG23 THR 67 HG23 THR 67 64.641 -2.457 3.809 357 H THR 68 H THR 68 67.885 -0.250 2.322 358 HA THR 68 HA THR 68 69.482 0.359 4.750 359 HB THR 68 HB THR 68 70.889 0.549 2.747 360 HG1 THR 68 HG1 THR 68 70.160 3.034 3.759 361 HG21 THR 68 HG21 THR 68 70.370 1.972 0.926 362 HG22 THR 68 HG22 THR 68 69.061 2.758 1.807 363 HG23 THR 68 HG23 THR 68 68.873 1.097 1.245 364 H TYR 69 H TYR 69 68.883 2.107 5.937 365 HA TYR 69 HA TYR 69 66.381 3.459 5.120 366 HB2 TYR 69 HB2 TYR 69 67.668 3.237 7.845 367 HB3 TYR 69 HB3 TYR 69 66.138 4.017 7.493 368 HD1 TYR 69 HD2 TYR 69 64.138 2.699 6.991 369 HD2 TYR 69 HD1 TYR 69 67.899 0.813 7.854 370 HE1 TYR 69 HE2 TYR 69 62.975 0.532 7.319 371 HE2 TYR 69 HE1 TYR 69 66.737 -1.355 8.181 372 HH TYR 69 HH TYR 69 63.733 -1.737 8.758 373 H ILE 70 H ILE 70 66.315 5.660 4.883 374 HA ILE 70 HA ILE 70 68.882 7.057 4.989 375 HB ILE 70 HB ILE 70 66.265 8.146 3.953 376 HG12 ILE 70 HG12 ILE 70 68.454 6.830 2.316 377 HG13 ILE 70 HG13 ILE 70 66.969 6.001 2.777 378 HG21 ILE 70 HG21 ILE 70 69.054 8.850 3.070 379 HG22 ILE 70 HG22 ILE 70 68.365 9.581 4.520 380 HG23 ILE 70 HG23 ILE 70 67.580 9.814 2.957 381 HD11 ILE 70 HD11 ILE 70 66.277 6.831 0.749 382 HD12 ILE 70 HD12 ILE 70 67.375 8.207 0.815 383 HD13 ILE 70 HD13 ILE 70 65.874 8.231 1.739 384 HA PRO 71 HA PRO 71 67.294 8.590 9.020 385 HB2 PRO 71 HB2 PRO 71 69.380 10.470 9.351 386 HB3 PRO 71 HB3 PRO 71 69.307 8.836 10.027 387 HG2 PRO 71 HG2 PRO 71 70.756 9.832 7.667 388 HG3 PRO 71 HG3 PRO 71 71.148 8.498 8.764 389 HD2 PRO 71 HD2 PRO 71 70.204 8.081 6.251 390 HD3 PRO 71 HD3 PRO 71 69.860 6.969 7.584 391 H VAL 72 H VAL 72 68.552 10.752 6.489 392 HA VAL 72 HA VAL 72 66.138 12.400 6.793 393 HB VAL 72 HB VAL 72 68.934 13.538 6.489 394 HG11 VAL 72 HG11 VAL 72 67.770 15.705 6.786 395 HG12 VAL 72 HG12 VAL 72 66.223 14.860 6.827 396 HG13 VAL 72 HG13 VAL 72 67.191 14.855 5.353 397 HG21 VAL 72 HG21 VAL 72 68.650 12.766 8.762 398 HG22 VAL 72 HG22 VAL 72 67.024 13.445 8.842 399 HG23 VAL 72 HG23 VAL 72 68.424 14.515 8.767 400 H GLN 73 H GLN 73 65.299 13.115 4.853 401 HA GLN 73 HA GLN 73 65.900 11.639 2.549 402 HB2 GLN 73 HB2 GLN 73 64.465 14.289 2.827 403 HB3 GLN 73 HB3 GLN 73 64.474 13.307 1.363 404 HG2 GLN 73 HG2 GLN 73 63.438 11.446 2.562 405 HG3 GLN 73 HG3 GLN 73 63.495 12.357 4.068 406 HE21 GLN 73 HE21 GLN 73 61.021 11.398 2.990 407 HE22 GLN 73 HE22 GLN 73 60.091 12.737 2.519 408 H ASP 74 H ASP 74 67.364 11.846 0.988 409 HA ASP 74 HA ASP 74 69.002 14.314 0.901 410 HB2 ASP 74 HB2 ASP 74 69.953 11.970 1.696 411 HB3 ASP 74 HB3 ASP 74 70.078 11.690 -0.037 412 HA PRO 75 HA PRO 75 66.926 13.994 -3.247 413 HB2 PRO 75 HB2 PRO 75 67.841 16.835 -3.281 414 HB3 PRO 75 HB3 PRO 75 66.270 16.148 -3.746 415 HG2 PRO 75 HG2 PRO 75 66.505 17.476 -1.487 416 HG3 PRO 75 HG3 PRO 75 65.544 15.983 -1.550 417 HD2 PRO 75 HD2 PRO 75 68.329 16.373 -0.475 418 HD3 PRO 75 HD3 PRO 75 66.985 15.419 0.203 419 H LYS 76 H LYS 76 70.053 15.240 -2.247 420 HA LYS 76 HA LYS 76 71.265 15.454 -4.807 421 HB2 LYS 76 HB2 LYS 76 72.184 16.461 -2.716 422 HB3 LYS 76 HB3 LYS 76 72.611 14.842 -2.166 423 HG2 LYS 76 HG2 LYS 76 74.000 14.540 -4.208 424 HG3 LYS 76 HG3 LYS 76 73.628 16.200 -4.678 425 HD2 LYS 76 HD2 LYS 76 74.599 16.974 -2.498 426 HD3 LYS 76 HD3 LYS 76 75.100 15.312 -2.182 427 HE2 LYS 76 HE2 LYS 76 75.946 16.982 -4.568 428 HE3 LYS 76 HE3 LYS 76 76.951 16.606 -3.169 429 HZ1 LYS 76 HZ1 LYS 76 77.583 14.884 -4.438 430 HZ2 LYS 76 HZ2 LYS 76 76.189 14.931 -5.408 431 HZ3 LYS 76 HZ3 LYS 76 76.144 14.171 -3.889 432 H LEU 77 H LEU 77 70.645 12.708 -2.728 433 HA LEU 77 HA LEU 77 72.604 10.927 -3.627 434 HB2 LEU 77 HB2 LEU 77 71.061 10.525 -1.711 435 HB3 LEU 77 HB3 LEU 77 69.754 10.247 -2.863 436 HG LEU 77 HG LEU 77 71.205 8.449 -3.915 437 HD11 LEU 77 HD11 LEU 77 72.882 9.220 -1.540 438 HD12 LEU 77 HD12 LEU 77 73.390 8.888 -3.196 439 HD13 LEU 77 HD13 LEU 77 72.914 7.561 -2.136 440 HD21 LEU 77 HD21 LEU 77 69.427 7.689 -2.539 441 HD22 LEU 77 HD22 LEU 77 70.206 8.273 -1.068 442 HD23 LEU 77 HD23 LEU 77 70.851 6.862 -1.908 443 H LEU 78 H LEU 78 69.510 11.843 -5.071 444 HA LEU 78 HA LEU 78 69.307 9.790 -6.985 445 HB2 LEU 78 HB2 LEU 78 68.422 12.677 -7.230 446 HB3 LEU 78 HB3 LEU 78 67.846 11.332 -8.214 447 HG LEU 78 HG LEU 78 67.560 11.499 -5.200 448 HD11 LEU 78 HD11 LEU 78 65.556 11.976 -7.428 449 HD12 LEU 78 HD12 LEU 78 66.166 13.184 -6.297 450 HD13 LEU 78 HD13 LEU 78 65.150 11.866 -5.715 451 HD21 LEU 78 HD21 LEU 78 67.555 9.208 -5.815 452 HD22 LEU 78 HD22 LEU 78 66.680 9.528 -7.313 453 HD23 LEU 78 HD23 LEU 78 65.846 9.643 -5.763 454 H ASP 79 H ASP 79 70.857 12.982 -7.153 455 HA ASP 79 HA ASP 79 71.660 12.840 -9.847 456 HB2 ASP 79 HB2 ASP 79 71.681 14.905 -8.424 457 HB3 ASP 79 HB3 ASP 79 73.108 14.270 -7.609 458 H ASN 80 H ASN 80 73.289 11.810 -6.871 459 HA ASN 80 HA ASN 80 75.753 11.101 -8.008 460 HB2 ASN 80 HB2 ASN 80 75.156 11.228 -5.541 461 HB3 ASN 80 HB3 ASN 80 74.432 9.632 -5.726 462 HD21 ASN 80 HD21 ASN 80 76.117 8.767 -4.247 463 HD22 ASN 80 HD22 ASN 80 77.690 8.495 -4.824 464 H LEU 81 H LEU 81 72.836 9.105 -7.495 465 HA LEU 81 HA LEU 81 73.891 6.683 -8.446 466 HB2 LEU 81 HB2 LEU 81 71.041 7.693 -8.593 467 HB3 LEU 81 HB3 LEU 81 71.545 6.016 -8.800 468 HG LEU 81 HG LEU 81 72.068 7.655 -6.304 469 HD11 LEU 81 HD11 LEU 81 70.315 6.105 -5.324 470 HD12 LEU 81 HD12 LEU 81 69.920 5.627 -6.975 471 HD13 LEU 81 HD13 LEU 81 69.690 7.298 -6.463 472 HD21 LEU 81 HD21 LEU 81 73.684 5.943 -6.373 473 HD22 LEU 81 HD22 LEU 81 72.577 4.804 -7.140 474 HD23 LEU 81 HD23 LEU 81 72.379 5.215 -5.437 475 H LEU 82 H LEU 82 72.468 9.417 -10.195 476 HA LEU 82 HA LEU 82 72.342 8.056 -12.706 477 HB2 LEU 82 HB2 LEU 82 72.545 11.030 -12.139 478 HB3 LEU 82 HB3 LEU 82 72.100 10.311 -13.685 479 HG LEU 82 HG LEU 82 70.578 9.889 -11.097 480 HD11 LEU 82 HD11 LEU 82 68.857 11.330 -12.207 481 HD12 LEU 82 HD12 LEU 82 70.023 11.673 -13.486 482 HD13 LEU 82 HD13 LEU 82 70.346 12.199 -11.834 483 HD21 LEU 82 HD21 LEU 82 68.831 9.108 -12.840 484 HD22 LEU 82 HD22 LEU 82 70.177 8.019 -12.501 485 HD23 LEU 82 HD23 LEU 82 70.189 9.009 -13.960 486 H THR 83 H THR 83 74.810 10.187 -11.256 487 HA THR 83 HA THR 83 76.583 10.194 -13.426 488 HB THR 83 HB THR 83 77.323 10.227 -10.494 489 HG1 THR 83 HG1 THR 83 76.480 12.239 -12.218 490 HG21 THR 83 HG21 THR 83 78.675 11.215 -13.017 491 HG22 THR 83 HG22 THR 83 79.271 9.995 -11.892 492 HG23 THR 83 HG23 THR 83 79.182 11.685 -11.394 493 H LYS 84 H LYS 84 76.041 7.767 -10.945 494 HA LYS 84 HA LYS 84 78.361 6.197 -11.694 495 HB2 LYS 84 HB2 LYS 84 76.054 5.481 -9.875 496 HB3 LYS 84 HB3 LYS 84 77.572 4.600 -10.023 497 HG2 LYS 84 HG2 LYS 84 77.326 7.486 -9.126 498 HG3 LYS 84 HG3 LYS 84 77.543 6.110 -8.045 499 HD2 LYS 84 HD2 LYS 84 79.664 5.563 -9.297 500 HD3 LYS 84 HD3 LYS 84 79.476 7.089 -10.163 501 HE2 LYS 84 HE2 LYS 84 79.746 8.377 -8.201 502 HE3 LYS 84 HE3 LYS 84 79.457 6.989 -7.150 503 HZ1 LYS 84 HZ1 LYS 84 81.764 7.166 -9.001 504 HZ2 LYS 84 HZ2 LYS 84 81.524 6.050 -7.744 505 HZ3 LYS 84 HZ3 LYS 84 81.834 7.681 -7.386 506 H ASN 85 H ASN 85 75.487 6.616 -13.273 507 HA ASN 85 HA ASN 85 74.301 5.406 -14.799 508 HB2 ASN 85 HB2 ASN 85 76.756 3.634 -14.821 509 HB3 ASN 85 HB3 ASN 85 75.506 3.704 -16.058 510 HD21 ASN 85 HD21 ASN 85 78.537 4.532 -15.947 511 HD22 ASN 85 HD22 ASN 85 78.524 6.077 -16.650 512 H VAL 86 H VAL 86 73.788 4.875 -12.069 513 HA VAL 86 HA VAL 86 73.314 1.977 -11.980 514 HB VAL 86 HB VAL 86 72.827 4.104 -9.878 515 HG11 VAL 86 HG11 VAL 86 71.432 2.008 -9.716 516 HG12 VAL 86 HG12 VAL 86 72.518 2.256 -8.349 517 HG13 VAL 86 HG13 VAL 86 72.933 1.087 -9.603 518 HG21 VAL 86 HG21 VAL 86 75.246 3.671 -10.564 519 HG22 VAL 86 HG22 VAL 86 75.021 2.020 -9.988 520 HG23 VAL 86 HG23 VAL 86 74.876 3.372 -8.866 521 H LYS 87 H LYS 87 71.259 1.089 -12.028 522 HA LYS 87 HA LYS 87 69.232 2.623 -13.357 523 HB2 LYS 87 HB2 LYS 87 69.541 0.158 -13.668 524 HB3 LYS 87 HB3 LYS 87 68.961 -0.081 -12.019 525 HG2 LYS 87 HG2 LYS 87 66.823 0.952 -12.577 526 HG3 LYS 87 HG3 LYS 87 67.396 1.325 -14.202 527 HD2 LYS 87 HD2 LYS 87 66.056 -0.680 -14.341 528 HD3 LYS 87 HD3 LYS 87 67.742 -1.145 -14.565 529 HE2 LYS 87 HE2 LYS 87 67.912 -1.901 -12.277 530 HE3 LYS 87 HE3 LYS 87 66.316 -1.254 -11.895 531 HZ1 LYS 87 HZ1 LYS 87 66.968 -3.515 -13.697 532 HZ2 LYS 87 HZ2 LYS 87 65.433 -2.789 -13.638 533 HZ3 LYS 87 HZ3 LYS 87 66.063 -3.561 -12.263 534 H VAL 88 H VAL 88 67.439 3.612 -12.521 535 HA VAL 88 HA VAL 88 67.140 3.554 -9.570 536 HB VAL 88 HB VAL 88 66.921 6.006 -11.337 537 HG11 VAL 88 HG11 VAL 88 66.919 5.749 -8.315 538 HG12 VAL 88 HG12 VAL 88 65.460 5.933 -9.289 539 HG13 VAL 88 HG13 VAL 88 66.664 7.221 -9.253 540 HG21 VAL 88 HG21 VAL 88 69.233 5.611 -11.206 541 HG22 VAL 88 HG22 VAL 88 69.119 4.914 -9.589 542 HG23 VAL 88 HG23 VAL 88 68.948 6.656 -9.814 543 H VAL 89 H VAL 89 65.171 3.201 -8.862 544 HA VAL 89 HA VAL 89 62.875 3.582 -10.706 545 HB VAL 89 HB VAL 89 63.059 1.631 -8.394 546 HG11 VAL 89 HG11 VAL 89 60.978 0.753 -9.281 547 HG12 VAL 89 HG12 VAL 89 61.058 1.850 -10.660 548 HG13 VAL 89 HG13 VAL 89 60.792 2.490 -9.038 549 HG21 VAL 89 HG21 VAL 89 64.504 0.656 -9.946 550 HG22 VAL 89 HG22 VAL 89 63.644 1.336 -11.328 551 HG23 VAL 89 HG23 VAL 89 62.953 -0.023 -10.441 552 H GLY 90 H GLY 90 61.283 4.941 -9.992 553 HA2 GLY 90 HA2 GLY 90 61.494 5.911 -7.189 554 HA3 GLY 90 HA3 GLY 90 61.113 6.957 -8.550 555 H GLU 91 H GLU 91 59.747 5.628 -5.966 556 HA GLU 91 HA GLU 91 57.105 5.944 -7.163 557 HB2 GLU 91 HB2 GLU 91 57.921 3.460 -5.630 558 HB3 GLU 91 HB3 GLU 91 56.253 3.890 -6.009 559 HG2 GLU 91 HG2 GLU 91 56.958 3.986 -8.452 560 HG3 GLU 91 HG3 GLU 91 58.478 3.245 -7.953 561 HA PRO 92 HA PRO 92 57.786 8.088 -3.122 562 HB2 PRO 92 HB2 PRO 92 55.772 9.961 -4.240 563 HB3 PRO 92 HB3 PRO 92 57.355 10.301 -3.517 564 HG2 PRO 92 HG2 PRO 92 56.930 10.519 -6.138 565 HG3 PRO 92 HG3 PRO 92 58.480 9.959 -5.480 566 HD2 PRO 92 HD2 PRO 92 56.280 8.353 -6.732 567 HD3 PRO 92 HD3 PRO 92 58.041 8.144 -6.857 568 HA PRO 93 HA PRO 93 54.164 6.292 -1.162 569 HB2 PRO 93 HB2 PRO 93 54.215 8.675 0.645 570 HB3 PRO 93 HB3 PRO 93 54.170 6.948 1.057 571 HG2 PRO 93 HG2 PRO 93 56.403 8.304 1.338 572 HG3 PRO 93 HG3 PRO 93 56.435 6.659 0.670 573 HD2 PRO 93 HD2 PRO 93 56.677 9.279 -0.783 574 HD3 PRO 93 HD3 PRO 93 57.552 7.753 -1.058 575 H GLU 94 H GLU 94 51.910 6.555 -1.206 576 HA GLU 94 HA GLU 94 50.950 8.617 -2.971 577 HB2 GLU 94 HB2 GLU 94 50.086 6.266 -2.969 578 HB3 GLU 94 HB3 GLU 94 49.345 6.589 -1.400 579 HG2 GLU 94 HG2 GLU 94 48.097 8.489 -2.417 580 HG3 GLU 94 HG3 GLU 94 48.780 8.072 -3.982 581 H GLU 95 H GLU 95 49.849 10.430 -2.494 582 HA GLU 95 HA GLU 95 49.073 10.916 0.319 583 HB2 GLU 95 HB2 GLU 95 50.661 12.673 -1.541 584 HB3 GLU 95 HB3 GLU 95 49.742 13.353 -0.199 585 HG2 GLU 95 HG2 GLU 95 51.765 11.123 0.124 586 HG3 GLU 95 HG3 GLU 95 52.151 12.829 0.351 587 HA PRO 96 HA PRO 96 45.503 11.530 -2.576 588 HB2 PRO 96 HB2 PRO 96 43.563 11.061 -0.656 589 HB3 PRO 96 HB3 PRO 96 44.282 9.812 -1.690 590 HG2 PRO 96 HG2 PRO 96 44.919 10.529 1.123 591 HG3 PRO 96 HG3 PRO 96 44.834 8.934 0.351 592 HD2 PRO 96 HD2 PRO 96 47.204 10.131 0.861 593 HD3 PRO 96 HD3 PRO 96 46.961 9.106 -0.571 594 H LEU 97 H LEU 97 44.637 13.477 -2.971 595 HA LEU 97 HA LEU 97 45.015 15.687 -1.221 596 HB2 LEU 97 HB2 LEU 97 44.870 15.769 -3.736 597 HB3 LEU 97 HB3 LEU 97 43.132 15.526 -3.583 598 HG LEU 97 HG LEU 97 44.408 17.714 -1.974 599 HD11 LEU 97 HD11 LEU 97 43.988 19.253 -3.949 600 HD12 LEU 97 HD12 LEU 97 43.850 17.807 -4.949 601 HD13 LEU 97 HD13 LEU 97 45.368 18.169 -4.128 602 HD21 LEU 97 HD21 LEU 97 41.731 17.062 -3.170 603 HD22 LEU 97 HD22 LEU 97 42.124 18.748 -2.833 604 HD23 LEU 97 HD23 LEU 97 42.122 17.567 -1.528 605 H GLU 98 H GLU 98 42.233 13.645 -2.003 606 HA GLU 98 HA GLU 98 40.210 15.122 -0.783 607 HB2 GLU 98 HB2 GLU 98 39.886 13.101 -2.212 608 HB3 GLU 98 HB3 GLU 98 40.416 12.106 -0.855 609 HG2 GLU 98 HG2 GLU 98 38.592 13.082 0.532 610 HG3 GLU 98 HG3 GLU 98 38.035 13.980 -0.873 611 H HIS 99 H HIS 99 42.616 12.993 0.673 612 HA HIS 99 HA HIS 99 41.431 12.544 3.160 613 HB2 HIS 99 HB2 HIS 99 43.507 11.462 2.367 614 HB3 HIS 99 HB3 HIS 99 44.359 12.982 2.561 615 HD1 HIS 99 HD1 HIS 99 42.267 10.644 4.746 616 HD2 HIS 99 HD2 HIS 99 45.597 13.139 5.012 617 HE1 HIS 99 HE1 HIS 99 43.161 10.395 7.100 618 H HIS 100 H HIS 100 43.273 15.337 1.990 619 HA HIS 100 HA HIS 100 43.605 16.667 4.437 620 HB2 HIS 100 HB2 HIS 100 43.263 17.761 1.645 621 HB3 HIS 100 HB3 HIS 100 43.725 18.734 3.029 622 HD1 HIS 100 HD1 HIS 100 45.007 16.109 0.680 623 HD2 HIS 100 HD2 HIS 100 46.418 18.372 3.884 624 HE1 HIS 100 HE1 HIS 100 47.520 15.803 0.720 625 H HIS 101 H HIS 101 42.365 18.080 5.596 626 HA HIS 101 HA HIS 101 39.502 17.997 5.150 627 HB2 HIS 101 HB2 HIS 101 41.174 19.345 7.269 628 HB3 HIS 101 HB3 HIS 101 39.421 19.332 7.247 629 HD1 HIS 101 HD1 HIS 101 42.399 17.197 7.964 630 HD2 HIS 101 HD2 HIS 101 38.249 16.806 7.931 631 HE1 HIS 101 HE1 HIS 101 41.877 15.015 9.136 632 H HIS 102 H HIS 102 42.108 20.314 4.702 633 HA HIS 102 HA HIS 102 40.654 22.697 4.611 634 HB2 HIS 102 HB2 HIS 102 43.120 22.540 4.573 635 HB3 HIS 102 HB3 HIS 102 43.042 21.923 2.933 636 HD1 HIS 102 HD1 HIS 102 41.829 25.017 4.821 637 HD2 HIS 102 HD2 HIS 102 43.326 23.939 1.083 638 HE1 HIS 102 HE1 HIS 102 42.048 27.161 3.494 639 H HIS 103 H HIS 103 41.141 20.229 2.121 640 HA HIS 103 HA HIS 103 40.114 21.637 -0.078 641 HB2 HIS 103 HB2 HIS 103 41.289 19.471 -0.228 642 HB3 HIS 103 HB3 HIS 103 39.912 18.681 0.515 643 HD1 HIS 103 HD1 HIS 103 40.566 20.881 -2.541 644 HD2 HIS 103 HD2 HIS 103 38.193 17.659 -1.373 645 HE1 HIS 103 HE1 HIS 103 39.252 20.182 -4.589 646 H HIS 104 H HIS 104 38.062 21.808 -0.962 647 HA HIS 104 HA HIS 104 35.898 22.082 0.814 648 HB2 HIS 104 HB2 HIS 104 35.914 21.772 -2.190 649 HB3 HIS 104 HB3 HIS 104 34.520 22.261 -1.246 650 HD1 HIS 104 HD1 HIS 104 37.793 23.488 -2.569 651 HD2 HIS 104 HD2 HIS 104 34.650 24.942 -0.246 652 HE1 HIS 104 HE1 HIS 104 38.126 25.991 -2.402
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