NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
583043 | 2mpw | 25002 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 39 HT1 MET 39 57.257 17.834 23.140 2 H2 MET 39 HT2 MET 39 56.859 19.484 23.192 3 H3 MET 39 HT3 MET 39 57.843 18.885 21.944 4 HA MET 39 HA MET 39 55.841 19.048 20.870 5 HB2 MET 39 HB2 MET 39 55.863 16.304 22.164 6 HB3 MET 39 HB3 MET 39 54.932 16.738 20.729 7 HG2 MET 39 HG2 MET 39 57.088 17.407 19.619 8 HG3 MET 39 HG3 MET 39 57.948 16.754 21.014 9 HE1 MET 39 HE1 MET 39 54.677 15.000 18.909 10 HE2 MET 39 HE2 MET 39 55.832 14.876 17.584 11 HE3 MET 39 HE3 MET 39 55.553 16.434 18.359 12 H ASN 40 H ASN 40 54.752 20.663 22.180 13 HA ASN 40 HA ASN 40 52.717 19.580 24.032 14 HB2 ASN 40 HB2 ASN 40 53.797 22.387 23.695 15 HB3 ASN 40 HB3 ASN 40 52.509 21.932 24.809 16 HD21 ASN 40 HD21 ASN 40 55.090 23.030 25.633 17 HD22 ASN 40 HD22 ASN 40 55.866 21.835 26.555 18 H GLY 41 H GLY 41 50.675 19.494 23.373 19 HA2 GLY 41 HA2 GLY 41 49.786 20.221 20.822 20 HA3 GLY 41 HA3 GLY 41 48.738 19.894 22.199 21 H GLU 42 H GLU 42 49.741 22.029 23.860 22 HA GLU 42 HA GLU 42 48.026 24.116 23.094 23 HB2 GLU 42 HB2 GLU 42 50.367 24.135 25.010 24 HB3 GLU 42 HB3 GLU 42 49.157 25.413 24.886 25 HG2 GLU 42 HG2 GLU 42 47.383 23.741 25.382 26 HG3 GLU 42 HG3 GLU 42 48.624 22.514 25.588 27 H ASN 43 H ASN 43 51.461 23.608 22.470 28 HA ASN 43 HA ASN 43 52.236 26.174 21.723 29 HB2 ASN 43 HB2 ASN 43 53.695 24.112 21.938 30 HB3 ASN 43 HB3 ASN 43 53.139 23.652 20.329 31 HD21 ASN 43 HD21 ASN 43 55.381 23.934 19.524 32 HD22 ASN 43 HD22 ASN 43 55.994 25.493 19.248 33 H TYR 44 H TYR 44 50.516 23.714 19.849 34 HA TYR 44 HA TYR 44 50.226 25.658 17.631 35 HB2 TYR 44 HB2 TYR 44 51.307 23.497 17.068 36 HB3 TYR 44 HB3 TYR 44 49.861 22.660 17.601 37 HD1 TYR 44 HD1 TYR 44 51.278 24.927 15.044 38 HD2 TYR 44 HD2 TYR 44 47.891 22.561 16.217 39 HE1 TYR 44 HE1 TYR 44 50.315 25.181 12.773 40 HE2 TYR 44 HE2 TYR 44 46.927 22.815 13.946 41 HH TYR 44 HH TYR 44 48.393 23.531 11.418 42 H PHE 45 H PHE 45 48.257 26.431 17.170 43 HA PHE 45 HA PHE 45 45.972 25.389 18.718 44 HB2 PHE 45 HB2 PHE 45 46.559 27.784 18.969 45 HB3 PHE 45 HB3 PHE 45 46.281 28.011 17.253 46 HD1 PHE 45 HD1 PHE 45 44.684 27.255 20.504 47 HD2 PHE 45 HD2 PHE 45 44.052 28.186 16.359 48 HE1 PHE 45 HE1 PHE 45 42.282 27.671 20.964 49 HE2 PHE 45 HE2 PHE 45 41.651 28.601 16.819 50 HZ PHE 45 HZ PHE 45 40.766 28.344 19.121 51 H LYS 46 H LYS 46 44.326 24.393 17.733 52 HA LYS 46 HA LYS 46 44.308 24.313 14.782 53 HB2 LYS 46 HB2 LYS 46 42.970 22.489 16.795 54 HB3 LYS 46 HB3 LYS 46 42.942 22.287 15.043 55 HG2 LYS 46 HG2 LYS 46 45.476 22.239 15.111 56 HG3 LYS 46 HG3 LYS 46 45.353 22.154 16.869 57 HD2 LYS 46 HD2 LYS 46 44.056 20.186 14.962 58 HD3 LYS 46 HD3 LYS 46 45.575 19.903 15.811 59 HE2 LYS 46 HE2 LYS 46 44.237 20.429 17.965 60 HE3 LYS 46 HE3 LYS 46 42.805 20.175 16.969 61 HZ1 LYS 46 HZ1 LYS 46 43.215 17.978 16.767 62 HZ2 LYS 46 HZ2 LYS 46 44.025 18.214 18.243 63 HZ3 LYS 46 HZ3 LYS 46 44.901 18.162 16.789 64 H LEU 47 H LEU 47 42.717 25.251 13.667 65 HA LEU 47 HA LEU 47 40.800 26.923 14.881 66 HB2 LEU 47 HB2 LEU 47 40.778 25.745 12.092 67 HB3 LEU 47 HB3 LEU 47 39.844 27.138 12.633 68 HG LEU 47 HG LEU 47 42.872 26.977 12.678 69 HD11 LEU 47 HD11 LEU 47 42.893 28.276 10.704 70 HD12 LEU 47 HD12 LEU 47 41.188 28.700 10.861 71 HD13 LEU 47 HD13 LEU 47 41.650 27.065 10.392 72 HD21 LEU 47 HD21 LEU 47 42.144 28.508 14.361 73 HD22 LEU 47 HD22 LEU 47 40.859 29.140 13.331 74 HD23 LEU 47 HD23 LEU 47 42.544 29.508 12.964 75 H GLY 48 H GLY 48 40.596 23.602 13.679 76 HA2 GLY 48 HA2 GLY 48 37.812 23.446 14.681 77 HA3 GLY 48 HA3 GLY 48 38.468 22.439 13.395 78 H SER 49 H SER 49 37.241 21.809 16.082 79 HA SER 49 HA SER 49 39.430 20.079 17.088 80 HB2 SER 49 HB2 SER 49 38.844 21.901 18.683 81 HB3 SER 49 HB3 SER 49 37.188 21.305 18.709 82 HG SER 49 HG SER 49 37.862 19.637 19.828 83 H ASP 50 H ASP 50 39.005 17.962 17.145 84 HA ASP 50 HA ASP 50 36.680 16.871 15.978 85 HB2 ASP 50 HB2 ASP 50 38.768 15.584 17.749 86 HB3 ASP 50 HB3 ASP 50 37.545 14.701 16.840 87 H SER 51 H SER 51 37.621 17.378 19.351 88 HA SER 51 HA SER 51 35.597 15.888 20.591 89 HB2 SER 51 HB2 SER 51 36.862 18.450 21.588 90 HB3 SER 51 HB3 SER 51 36.038 17.240 22.566 91 HG SER 51 HG SER 51 38.536 17.248 21.632 92 H LYS 52 H LYS 52 35.584 19.202 19.348 93 HA LYS 52 HA LYS 52 32.898 19.689 20.359 94 HB2 LYS 52 HB2 LYS 52 34.627 21.487 20.288 95 HB3 LYS 52 HB3 LYS 52 34.595 21.398 18.526 96 HG2 LYS 52 HG2 LYS 52 32.227 21.991 18.501 97 HG3 LYS 52 HG3 LYS 52 32.182 21.989 20.265 98 HD2 LYS 52 HD2 LYS 52 32.405 24.283 19.539 99 HD3 LYS 52 HD3 LYS 52 33.948 23.786 20.236 100 HE2 LYS 52 HE2 LYS 52 34.901 23.426 18.047 101 HE3 LYS 52 HE3 LYS 52 33.337 23.673 17.272 102 HZ1 LYS 52 HZ1 LYS 52 35.029 25.667 18.656 103 HZ2 LYS 52 HZ2 LYS 52 33.384 25.950 18.332 104 HZ3 LYS 52 HZ3 LYS 52 34.472 25.692 17.053 105 H LEU 53 H LEU 53 31.071 19.348 19.265 106 HA LEU 53 HA LEU 53 31.256 18.571 16.426 107 HB2 LEU 53 HB2 LEU 53 28.986 18.210 18.397 108 HB3 LEU 53 HB3 LEU 53 29.037 17.583 16.749 109 HG LEU 53 HG LEU 53 31.027 16.872 18.927 110 HD11 LEU 53 HD11 LEU 53 28.830 15.939 19.443 111 HD12 LEU 53 HD12 LEU 53 29.884 14.650 18.861 112 HD13 LEU 53 HD13 LEU 53 28.664 15.343 17.792 113 HD21 LEU 53 HD21 LEU 53 30.609 15.971 16.068 114 HD22 LEU 53 HD22 LEU 53 31.520 15.007 17.230 115 HD23 LEU 53 HD23 LEU 53 32.077 16.623 16.797 116 H LEU 54 H LEU 54 30.440 19.825 14.866 117 HA LEU 54 HA LEU 54 29.632 22.488 15.426 118 HB2 LEU 54 HB2 LEU 54 29.358 20.907 12.858 119 HB3 LEU 54 HB3 LEU 54 29.252 22.660 13.011 120 HG LEU 54 HG LEU 54 31.686 21.013 13.763 121 HD11 LEU 54 HD11 LEU 54 31.080 21.148 11.278 122 HD12 LEU 54 HD12 LEU 54 32.680 21.746 11.720 123 HD13 LEU 54 HD13 LEU 54 31.369 22.883 11.406 124 HD21 LEU 54 HD21 LEU 54 31.001 23.946 13.802 125 HD22 LEU 54 HD22 LEU 54 32.674 23.434 13.577 126 HD23 LEU 54 HD23 LEU 54 31.802 22.980 15.042 127 H THR 55 H THR 55 27.838 19.543 14.656 128 HA THR 55 HA THR 55 25.372 20.702 14.005 129 HB THR 55 HB THR 55 25.814 18.063 15.418 130 HG1 THR 55 HG1 THR 55 26.418 17.357 13.539 131 HG21 THR 55 HG21 THR 55 23.724 17.421 14.366 132 HG22 THR 55 HG22 THR 55 23.636 18.962 13.513 133 HG23 THR 55 HG23 THR 55 23.460 18.914 15.266 134 H HIS 56 H HIS 56 26.649 19.661 17.157 135 HA HIS 56 HA HIS 56 24.342 20.187 18.674 136 HB2 HIS 56 HB2 HIS 56 27.266 20.155 19.384 137 HB3 HIS 56 HB3 HIS 56 26.013 20.439 20.577 138 HD1 HIS 56 HD1 HIS 56 27.111 17.790 18.081 139 HD2 HIS 56 HD2 HIS 56 24.859 18.116 21.575 140 HE1 HIS 56 HE1 HIS 56 26.525 15.428 18.777 141 H ASN 57 H ASN 57 26.982 22.301 17.654 142 HA ASN 57 HA ASN 57 26.534 24.479 19.329 143 HB2 ASN 57 HB2 ASN 57 28.433 24.156 17.683 144 HB3 ASN 57 HB3 ASN 57 27.325 24.697 16.423 145 HD21 ASN 57 HD21 ASN 57 28.693 26.638 16.101 146 HD22 ASN 57 HD22 ASN 57 28.627 27.921 17.209 147 H SER 58 H SER 58 24.902 23.581 16.319 148 HA SER 58 HA SER 58 23.481 25.977 15.915 149 HB2 SER 58 HB2 SER 58 22.052 24.689 14.450 150 HB3 SER 58 HB3 SER 58 23.710 24.136 14.249 151 HG SER 58 HG SER 58 23.151 22.316 15.162 152 H TYR 59 H TYR 59 22.782 23.173 17.948 153 HA TYR 59 HA TYR 59 20.086 23.727 18.519 154 HB2 TYR 59 HB2 TYR 59 21.216 21.612 19.086 155 HB3 TYR 59 HB3 TYR 59 22.166 22.450 20.298 156 HD1 TYR 59 HD1 TYR 59 18.774 21.294 19.375 157 HD2 TYR 59 HD2 TYR 59 21.233 23.022 22.444 158 HE1 TYR 59 HE1 TYR 59 16.979 20.894 21.039 159 HE2 TYR 59 HE2 TYR 59 19.438 22.622 24.108 160 HH TYR 59 HH TYR 59 17.066 20.626 23.779 161 H GLN 60 H GLN 60 23.075 24.855 20.053 162 HA GLN 60 HA GLN 60 21.917 26.138 22.270 163 HB2 GLN 60 HB2 GLN 60 24.445 26.851 20.766 164 HB3 GLN 60 HB3 GLN 60 24.022 27.413 22.381 165 HG2 GLN 60 HG2 GLN 60 24.430 24.521 21.564 166 HG3 GLN 60 HG3 GLN 60 25.558 25.494 22.503 167 HE21 GLN 60 HE21 GLN 60 23.654 23.016 23.079 168 HE22 GLN 60 HE22 GLN 60 22.971 23.434 24.575 169 H ASN 61 H ASN 61 22.423 27.243 18.952 170 HA ASN 61 HA ASN 61 22.073 29.986 19.316 171 HB2 ASN 61 HB2 ASN 61 22.769 28.799 17.198 172 HB3 ASN 61 HB3 ASN 61 21.070 28.413 16.940 173 HD21 ASN 61 HD21 ASN 61 22.388 30.007 15.042 174 HD22 ASN 61 HD22 ASN 61 21.811 31.599 15.139 175 H ARG 62 H ARG 62 19.642 27.437 18.860 176 HA ARG 62 HA ARG 62 17.593 29.327 19.833 177 HB2 ARG 62 HB2 ARG 62 17.345 27.510 17.426 178 HB3 ARG 62 HB3 ARG 62 16.001 28.381 18.167 179 HG2 ARG 62 HG2 ARG 62 17.230 30.521 17.783 180 HG3 ARG 62 HG3 ARG 62 18.479 29.613 16.929 181 HD2 ARG 62 HD2 ARG 62 15.552 29.777 16.158 182 HD3 ARG 62 HD3 ARG 62 16.890 30.560 15.325 183 HE ARG 62 HE ARG 62 17.368 27.772 15.485 184 HH11 ARG 62 HH11 ARG 62 15.309 30.049 13.783 185 HH12 ARG 62 HH12 ARG 62 15.130 29.011 12.408 186 HH21 ARG 62 HH21 ARG 62 17.101 26.480 13.688 187 HH22 ARG 62 HH22 ARG 62 16.132 27.016 12.355 188 H LEU 63 H LEU 63 16.329 28.499 21.380 189 HA LEU 63 HA LEU 63 16.374 25.563 21.810 190 HB2 LEU 63 HB2 LEU 63 17.448 26.929 23.605 191 HB3 LEU 63 HB3 LEU 63 15.899 27.732 23.867 192 HG LEU 63 HG LEU 63 14.892 25.427 24.227 193 HD11 LEU 63 HD11 LEU 63 16.444 23.937 23.273 194 HD12 LEU 63 HD12 LEU 63 16.733 23.759 25.003 195 HD13 LEU 63 HD13 LEU 63 17.819 24.746 24.024 196 HD21 LEU 63 HD21 LEU 63 17.103 26.306 26.113 197 HD22 LEU 63 HD22 LEU 63 15.746 25.261 26.538 198 HD23 LEU 63 HD23 LEU 63 15.459 26.945 26.096 199 H PHE 64 H PHE 64 14.493 24.544 21.530 200 HA PHE 64 HA PHE 64 12.016 26.116 21.411 201 HB2 PHE 64 HB2 PHE 64 12.615 23.253 20.660 202 HB3 PHE 64 HB3 PHE 64 11.039 24.007 20.521 203 HD1 PHE 64 HD1 PHE 64 10.667 25.832 18.868 204 HD2 PHE 64 HD2 PHE 64 14.369 23.666 19.078 205 HE1 PHE 64 HE1 PHE 64 11.282 26.666 16.615 206 HE2 PHE 64 HE2 PHE 64 14.985 24.498 16.825 207 HZ PHE 64 HZ PHE 64 13.441 25.999 15.593 208 H TYR 65 H TYR 65 10.520 26.069 23.003 209 HA TYR 65 HA TYR 65 10.652 23.857 24.979 210 HB2 TYR 65 HB2 TYR 65 11.383 26.113 25.849 211 HB3 TYR 65 HB3 TYR 65 9.751 26.680 25.543 212 HD1 TYR 65 HD2 TYR 65 11.866 24.499 27.618 213 HD2 TYR 65 HD1 TYR 65 7.882 25.954 26.939 214 HE1 TYR 65 HE2 TYR 65 11.169 23.621 29.829 215 HE2 TYR 65 HE1 TYR 65 7.184 25.073 29.150 216 HH TYR 65 HH TYR 65 8.020 24.254 31.136 217 H THR 66 H THR 66 8.704 22.968 25.634 218 HA THR 66 HA THR 66 6.397 23.665 23.923 219 HB THR 66 HB THR 66 6.902 21.108 25.461 220 HG1 THR 66 HG1 THR 66 7.514 20.358 23.457 221 HG21 THR 66 HG21 THR 66 5.170 20.298 23.753 222 HG22 THR 66 HG22 THR 66 4.849 22.003 23.434 223 HG23 THR 66 HG23 THR 66 4.572 21.340 25.044 224 H LEU 67 H LEU 67 4.418 24.090 24.779 225 HA LEU 67 HA LEU 67 4.313 24.846 27.578 226 HB2 LEU 67 HB2 LEU 67 2.328 25.041 25.302 227 HB3 LEU 67 HB3 LEU 67 2.005 25.634 26.928 228 HG LEU 67 HG LEU 67 4.381 26.511 25.264 229 HD11 LEU 67 HD11 LEU 67 1.581 27.587 25.512 230 HD12 LEU 67 HD12 LEU 67 2.573 27.400 24.066 231 HD13 LEU 67 HD13 LEU 67 2.926 28.689 25.217 232 HD21 LEU 67 HD21 LEU 67 4.087 28.468 27.007 233 HD22 LEU 67 HD22 LEU 67 4.905 26.984 27.495 234 HD23 LEU 67 HD23 LEU 67 3.218 27.249 27.938 235 H LYS 68 H LYS 68 3.528 23.628 29.165 236 HA LYS 68 HA LYS 68 1.799 21.318 28.482 237 HB2 LYS 68 HB2 LYS 68 3.858 21.584 30.685 238 HB3 LYS 68 HB3 LYS 68 2.760 20.217 30.490 239 HG2 LYS 68 HG2 LYS 68 3.691 19.842 28.206 240 HG3 LYS 68 HG3 LYS 68 4.853 21.136 28.499 241 HD2 LYS 68 HD2 LYS 68 5.681 19.886 30.497 242 HD3 LYS 68 HD3 LYS 68 4.596 18.560 30.075 243 HE2 LYS 68 HE2 LYS 68 6.707 17.975 29.134 244 HE3 LYS 68 HE3 LYS 68 5.731 18.550 27.783 245 HZ1 LYS 68 HZ1 LYS 68 7.914 19.537 27.716 246 HZ2 LYS 68 HZ2 LYS 68 7.734 20.135 29.296 247 HZ3 LYS 68 HZ3 LYS 68 6.759 20.736 28.041 248 H THR 69 H THR 69 0.072 20.861 29.866 249 HA THR 69 HA THR 69 -1.335 23.033 30.890 250 HB THR 69 HB THR 69 -2.422 20.923 30.320 251 HG1 THR 69 HG1 THR 69 -3.759 20.962 32.034 252 HG21 THR 69 HG21 THR 69 -1.107 19.798 32.806 253 HG22 THR 69 HG22 THR 69 -0.548 19.474 31.165 254 HG23 THR 69 HG23 THR 69 -2.149 18.936 31.672 255 H GLY 70 H GLY 70 -1.421 24.071 32.792 256 HA2 GLY 70 HA2 GLY 70 -1.275 24.113 35.198 257 HA3 GLY 70 HA3 GLY 70 0.036 22.947 35.102 258 H GLU 71 H GLU 71 1.243 24.564 32.798 259 HA GLU 71 HA GLU 71 2.495 26.634 34.505 260 HB2 GLU 71 HB2 GLU 71 3.939 24.750 33.638 261 HB3 GLU 71 HB3 GLU 71 3.644 25.370 32.012 262 HG2 GLU 71 HG2 GLU 71 4.533 27.581 32.723 263 HG3 GLU 71 HG3 GLU 71 4.896 26.905 34.305 264 H THR 72 H THR 72 2.804 28.707 33.690 265 HA THR 72 HA THR 72 1.190 29.354 31.287 266 HB THR 72 HB THR 72 0.762 31.525 32.310 267 HG1 THR 72 HG1 THR 72 1.702 32.048 34.151 268 HG21 THR 72 HG21 THR 72 -0.688 30.798 34.110 269 HG22 THR 72 HG22 THR 72 0.250 29.320 34.322 270 HG23 THR 72 HG23 THR 72 -0.701 29.559 32.856 271 H VAL 73 H VAL 73 1.881 31.252 30.072 272 HA VAL 73 HA VAL 73 4.565 31.101 29.270 273 HB VAL 73 HB VAL 73 2.624 33.401 28.901 274 HG11 VAL 73 HG11 VAL 73 4.995 33.969 28.403 275 HG12 VAL 73 HG12 VAL 73 4.000 33.953 26.947 276 HG13 VAL 73 HG13 VAL 73 5.073 32.598 27.297 277 HG21 VAL 73 HG21 VAL 73 2.091 32.308 26.768 278 HG22 VAL 73 HG22 VAL 73 1.759 31.212 28.108 279 HG23 VAL 73 HG23 VAL 73 3.218 31.003 27.139 280 H ALA 74 H ALA 74 2.923 33.363 31.468 281 HA ALA 74 HA ALA 74 5.089 35.097 31.904 282 HB1 ALA 74 HB1 ALA 74 3.792 36.057 33.525 283 HB2 ALA 74 HB2 ALA 74 3.271 34.507 34.187 284 HB3 ALA 74 HB3 ALA 74 2.538 35.125 32.707 285 H ASP 75 H ASP 75 4.228 32.020 33.448 286 HA ASP 75 HA ASP 75 6.097 32.093 35.551 287 HB2 ASP 75 HB2 ASP 75 5.004 29.732 34.002 288 HB3 ASP 75 HB3 ASP 75 5.908 29.609 35.508 289 H LEU 76 H LEU 76 6.364 30.867 32.228 290 HA LEU 76 HA LEU 76 8.992 29.902 32.351 291 HB2 LEU 76 HB2 LEU 76 7.501 31.179 30.046 292 HB3 LEU 76 HB3 LEU 76 9.036 30.325 29.885 293 HG LEU 76 HG LEU 76 6.617 29.035 31.158 294 HD11 LEU 76 HD11 LEU 76 7.486 28.775 28.266 295 HD12 LEU 76 HD12 LEU 76 6.156 29.810 28.789 296 HD13 LEU 76 HD13 LEU 76 6.059 28.065 29.021 297 HD21 LEU 76 HD21 LEU 76 9.183 28.014 29.897 298 HD22 LEU 76 HD22 LEU 76 7.865 26.976 30.440 299 HD23 LEU 76 HD23 LEU 76 8.754 27.953 31.606 300 H SER 77 H SER 77 7.762 33.140 31.644 301 HA SER 77 HA SER 77 10.178 34.352 30.903 302 HB2 SER 77 HB2 SER 77 7.890 35.339 30.637 303 HB3 SER 77 HB3 SER 77 7.876 35.658 32.369 304 HG SER 77 HG SER 77 8.940 37.366 31.825 305 H LYS 78 H LYS 78 8.683 33.968 34.089 306 HA LYS 78 HA LYS 78 10.505 35.569 35.532 307 HB2 LYS 78 HB2 LYS 78 8.292 34.803 36.383 308 HB3 LYS 78 HB3 LYS 78 8.954 33.175 36.543 309 HG2 LYS 78 HG2 LYS 78 10.712 34.071 38.061 310 HG3 LYS 78 HG3 LYS 78 9.961 35.664 37.955 311 HD2 LYS 78 HD2 LYS 78 7.832 34.655 38.816 312 HD3 LYS 78 HD3 LYS 78 8.701 33.139 39.060 313 HE2 LYS 78 HE2 LYS 78 9.671 35.736 40.260 314 HE3 LYS 78 HE3 LYS 78 8.514 34.699 41.095 315 HZ1 LYS 78 HZ1 LYS 78 10.077 33.188 41.554 316 HZ2 LYS 78 HZ2 LYS 78 11.183 34.440 41.244 317 HZ3 LYS 78 HZ3 LYS 78 10.809 33.313 40.029 318 H SER 79 H SER 79 10.443 32.060 34.942 319 HA SER 79 HA SER 79 12.675 31.407 36.525 320 HB2 SER 79 HB2 SER 79 11.032 29.767 35.585 321 HB3 SER 79 HB3 SER 79 11.769 30.003 34.004 322 HG SER 79 HG SER 79 13.520 29.012 34.728 323 H GLN 80 H GLN 80 12.433 32.255 33.094 324 HA GLN 80 HA GLN 80 15.239 31.953 32.595 325 HB2 GLN 80 HB2 GLN 80 13.126 33.387 30.977 326 HB3 GLN 80 HB3 GLN 80 14.733 32.935 30.413 327 HG2 GLN 80 HG2 GLN 80 12.577 31.015 31.341 328 HG3 GLN 80 HG3 GLN 80 13.058 31.293 29.671 329 HE21 GLN 80 HE21 GLN 80 13.373 28.976 31.894 330 HE22 GLN 80 HE22 GLN 80 14.956 28.443 31.591 331 H ASP 81 H ASP 81 13.444 34.482 34.069 332 HA ASP 81 HA ASP 81 13.980 36.630 34.677 333 HB2 ASP 81 HB2 ASP 81 16.097 35.397 35.399 334 HB3 ASP 81 HB3 ASP 81 16.824 35.976 33.902 335 H ILE 82 H ILE 82 12.984 36.259 32.135 336 HA ILE 82 HA ILE 82 14.462 38.253 30.516 337 HB ILE 82 HB ILE 82 12.643 36.038 29.526 338 HG12 ILE 82 HG12 ILE 82 15.653 36.319 29.272 339 HG13 ILE 82 HG13 ILE 82 14.856 35.265 30.441 340 HG21 ILE 82 HG21 ILE 82 13.411 36.725 27.306 341 HG22 ILE 82 HG22 ILE 82 14.435 37.970 28.022 342 HG23 ILE 82 HG23 ILE 82 12.680 38.103 28.129 343 HD11 ILE 82 HD11 ILE 82 15.374 33.884 28.559 344 HD12 ILE 82 HD12 ILE 82 14.760 35.084 27.424 345 HD13 ILE 82 HD13 ILE 82 13.643 34.203 28.466 346 H ASN 83 H ASN 83 13.258 39.895 29.545 347 HA ASN 83 HA ASN 83 10.857 40.630 30.948 348 HB2 ASN 83 HB2 ASN 83 12.214 41.909 28.564 349 HB3 ASN 83 HB3 ASN 83 10.916 42.634 29.511 350 HD21 ASN 83 HD21 ASN 83 13.906 43.368 29.162 351 HD22 ASN 83 HD22 ASN 83 14.462 43.530 30.757 352 H LEU 84 H LEU 84 8.775 40.495 30.296 353 HA LEU 84 HA LEU 84 7.988 38.651 28.345 354 HB2 LEU 84 HB2 LEU 84 6.414 40.977 29.480 355 HB3 LEU 84 HB3 LEU 84 5.726 39.611 28.603 356 HG LEU 84 HG LEU 84 7.332 39.360 31.163 357 HD11 LEU 84 HD11 LEU 84 5.336 40.354 31.883 358 HD12 LEU 84 HD12 LEU 84 4.944 38.637 31.978 359 HD13 LEU 84 HD13 LEU 84 4.384 39.595 30.607 360 HD21 LEU 84 HD21 LEU 84 7.472 37.332 29.889 361 HD22 LEU 84 HD22 LEU 84 5.769 37.417 29.443 362 HD23 LEU 84 HD23 LEU 84 6.228 37.057 31.107 363 H SER 85 H SER 85 8.483 42.148 28.106 364 HA SER 85 HA SER 85 7.280 42.563 25.600 365 HB2 SER 85 HB2 SER 85 8.084 44.365 27.149 366 HB3 SER 85 HB3 SER 85 9.734 43.965 26.684 367 HG SER 85 HG SER 85 8.818 45.612 25.408 368 H THR 86 H THR 86 10.584 41.590 26.469 369 HA THR 86 HA THR 86 11.660 41.642 23.860 370 HB THR 86 HB THR 86 12.469 39.829 26.145 371 HG1 THR 86 HG1 THR 86 13.465 41.524 26.905 372 HG21 THR 86 HG21 THR 86 13.823 40.803 23.626 373 HG22 THR 86 HG22 THR 86 13.581 39.138 24.159 374 HG23 THR 86 HG23 THR 86 14.735 40.174 24.999 375 H ILE 87 H ILE 87 10.120 39.031 25.714 376 HA ILE 87 HA ILE 87 10.576 36.943 23.897 377 HB ILE 87 HB ILE 87 8.196 37.318 25.738 378 HG12 ILE 87 HG12 ILE 87 10.814 35.862 26.219 379 HG13 ILE 87 HG13 ILE 87 10.455 37.475 26.837 380 HG21 ILE 87 HG21 ILE 87 9.427 34.809 24.552 381 HG22 ILE 87 HG22 ILE 87 7.908 35.537 24.027 382 HG23 ILE 87 HG23 ILE 87 8.051 34.867 25.653 383 HD11 ILE 87 HD11 ILE 87 9.971 35.804 28.560 384 HD12 ILE 87 HD12 ILE 87 8.904 34.943 27.452 385 HD13 ILE 87 HD13 ILE 87 8.470 36.556 28.019 386 H TRP 88 H TRP 88 7.856 39.211 24.159 387 HA TRP 88 HA TRP 88 6.308 38.196 22.054 388 HB2 TRP 88 HB2 TRP 88 5.486 39.853 23.663 389 HB3 TRP 88 HB3 TRP 88 6.572 41.055 22.991 390 HD1 TRP 88 HD1 TRP 88 3.538 38.909 21.964 391 HE1 TRP 88 HE1 TRP 88 2.222 40.187 20.154 392 HE3 TRP 88 HE3 TRP 88 6.629 42.916 21.297 393 HZ2 TRP 88 HZ2 TRP 88 2.452 42.597 18.622 394 HZ3 TRP 88 HZ3 TRP 88 6.060 44.684 19.660 395 HH2 TRP 88 HH2 TRP 88 3.980 44.531 18.323 396 H SER 89 H SER 89 8.845 40.714 21.994 397 HA SER 89 HA SER 89 8.530 41.542 19.365 398 HB2 SER 89 HB2 SER 89 10.774 42.403 19.496 399 HB3 SER 89 HB3 SER 89 10.032 42.583 21.081 400 HG SER 89 HG SER 89 12.126 41.085 20.328 401 H LEU 90 H LEU 90 10.395 38.787 20.606 402 HA LEU 90 HA LEU 90 11.463 38.057 18.060 403 HB2 LEU 90 HB2 LEU 90 11.076 36.366 20.541 404 HB3 LEU 90 HB3 LEU 90 12.105 35.965 19.167 405 HG LEU 90 HG LEU 90 12.431 38.437 20.895 406 HD11 LEU 90 HD11 LEU 90 12.929 36.051 21.870 407 HD12 LEU 90 HD12 LEU 90 14.125 37.331 22.069 408 HD13 LEU 90 HD13 LEU 90 14.338 36.113 20.812 409 HD21 LEU 90 HD21 LEU 90 14.698 38.430 19.711 410 HD22 LEU 90 HD22 LEU 90 13.314 38.857 18.707 411 HD23 LEU 90 HD23 LEU 90 14.012 37.241 18.605 412 H ASN 91 H ASN 91 8.778 36.699 19.994 413 HA ASN 91 HA ASN 91 8.079 34.893 17.835 414 HB2 ASN 91 HB2 ASN 91 6.823 35.364 20.539 415 HB3 ASN 91 HB3 ASN 91 6.312 34.121 19.398 416 HD21 ASN 91 HD21 ASN 91 9.392 35.267 20.920 417 HD22 ASN 91 HD22 ASN 91 10.012 33.703 21.147 418 H LYS 92 H LYS 92 7.429 38.094 18.133 419 HA LYS 92 HA LYS 92 4.720 38.426 17.840 420 HB2 LYS 92 HB2 LYS 92 5.203 40.505 16.716 421 HB3 LYS 92 HB3 LYS 92 6.391 40.251 17.991 422 HG2 LYS 92 HG2 LYS 92 7.967 39.339 16.272 423 HG3 LYS 92 HG3 LYS 92 6.791 39.757 15.025 424 HD2 LYS 92 HD2 LYS 92 6.859 42.136 15.936 425 HD3 LYS 92 HD3 LYS 92 8.263 41.638 16.880 426 HE2 LYS 92 HE2 LYS 92 9.291 40.832 14.692 427 HE3 LYS 92 HE3 LYS 92 7.981 41.680 13.869 428 HZ1 LYS 92 HZ1 LYS 92 8.660 43.718 14.997 429 HZ2 LYS 92 HZ2 LYS 92 9.922 43.084 14.053 430 HZ3 LYS 92 HZ3 LYS 92 9.943 42.893 15.741 431 H HIS 93 H HIS 93 6.942 37.088 15.473 432 HA HIS 93 HA HIS 93 5.153 37.361 13.256 433 HB2 HIS 93 HB2 HIS 93 6.691 36.053 12.024 434 HB3 HIS 93 HB3 HIS 93 7.625 37.102 13.066 435 HD1 HIS 93 HD1 HIS 93 8.895 35.928 15.088 436 HD2 HIS 93 HD2 HIS 93 7.046 33.310 12.420 437 HE1 HIS 93 HE1 HIS 93 9.897 33.649 15.513 438 H LEU 94 H LEU 94 5.721 34.845 15.671 439 HA LEU 94 HA LEU 94 4.141 32.853 14.358 440 HB2 LEU 94 HB2 LEU 94 4.909 33.090 17.276 441 HB3 LEU 94 HB3 LEU 94 4.275 31.647 16.489 442 HG LEU 94 HG LEU 94 6.838 33.051 15.694 443 HD11 LEU 94 HD11 LEU 94 8.027 31.370 16.868 444 HD12 LEU 94 HD12 LEU 94 6.591 30.363 17.046 445 HD13 LEU 94 HD13 LEU 94 6.746 31.850 17.981 446 HD21 LEU 94 HD21 LEU 94 5.483 30.491 14.808 447 HD22 LEU 94 HD22 LEU 94 7.179 30.838 14.474 448 HD23 LEU 94 HD23 LEU 94 5.919 31.877 13.809 449 H TYR 95 H TYR 95 3.479 35.200 16.943 450 HA TYR 95 HA TYR 95 0.615 34.448 16.809 451 HB2 TYR 95 HB2 TYR 95 2.175 35.691 19.073 452 HB3 TYR 95 HB3 TYR 95 0.451 35.369 19.089 453 HD1 TYR 95 HD2 TYR 95 -0.359 32.982 18.962 454 HD2 TYR 95 HD1 TYR 95 3.772 33.994 19.562 455 HE1 TYR 95 HE2 TYR 95 0.083 30.686 19.787 456 HE2 TYR 95 HE1 TYR 95 4.215 31.697 20.386 457 HH TYR 95 HH TYR 95 3.286 29.568 20.462 458 H SER 96 H SER 96 -0.946 36.078 16.834 459 HA SER 96 HA SER 96 -0.239 38.307 15.193 460 HB2 SER 96 HB2 SER 96 -2.848 37.740 16.613 461 HB3 SER 96 HB3 SER 96 -2.604 38.868 15.283 462 HG SER 96 HG SER 96 -1.969 36.163 15.109 463 H SER 97 H SER 97 -1.101 37.953 18.622 464 HA SER 97 HA SER 97 -0.073 40.626 19.153 465 HB2 SER 97 HB2 SER 97 -2.102 41.493 20.113 466 HB3 SER 97 HB3 SER 97 -2.464 40.948 18.478 467 HG SER 97 HG SER 97 -3.628 40.195 20.630 468 H GLU 98 H GLU 98 -0.278 41.158 21.528 469 HA GLU 98 HA GLU 98 0.943 39.148 23.073 470 HB2 GLU 98 HB2 GLU 98 -0.460 41.688 23.931 471 HB3 GLU 98 HB3 GLU 98 0.551 40.696 24.982 472 HG2 GLU 98 HG2 GLU 98 2.447 41.007 23.406 473 HG3 GLU 98 HG3 GLU 98 1.437 42.059 22.423 474 H SER 99 H SER 99 -2.445 40.099 22.749 475 HA SER 99 HA SER 99 -3.485 38.944 25.068 476 HB2 SER 99 HB2 SER 99 -4.746 40.397 23.463 477 HB3 SER 99 HB3 SER 99 -4.832 39.027 22.361 478 HG SER 99 HG SER 99 -6.454 39.520 24.254 479 H GLU 100 H GLU 100 -2.870 37.481 21.891 480 HA GLU 100 HA GLU 100 -4.010 34.966 22.449 481 HB2 GLU 100 HB2 GLU 100 -1.804 35.754 20.536 482 HB3 GLU 100 HB3 GLU 100 -2.570 34.163 20.564 483 HG2 GLU 100 HG2 GLU 100 -4.782 35.248 20.232 484 HG3 GLU 100 HG3 GLU 100 -3.983 36.810 20.128 485 H MET 101 H MET 101 -0.778 36.258 23.105 486 HA MET 101 HA MET 101 0.415 33.813 23.901 487 HB2 MET 101 HB2 MET 101 1.007 36.662 24.736 488 HB3 MET 101 HB3 MET 101 2.032 35.277 25.114 489 HG2 MET 101 HG2 MET 101 2.188 34.803 22.651 490 HG3 MET 101 HG3 MET 101 1.323 36.311 22.355 491 HE1 MET 101 HE1 MET 101 5.537 35.708 24.037 492 HE2 MET 101 HE2 MET 101 4.385 34.491 23.490 493 HE3 MET 101 HE3 MET 101 4.130 35.308 25.031 494 H MET 102 H MET 102 -1.274 36.342 25.749 495 HA MET 102 HA MET 102 -0.886 35.261 28.309 496 HB2 MET 102 HB2 MET 102 -3.220 36.879 27.253 497 HB3 MET 102 HB3 MET 102 -2.863 36.611 28.955 498 HG2 MET 102 HG2 MET 102 -1.047 38.008 26.968 499 HG3 MET 102 HG3 MET 102 -2.014 38.801 28.206 500 HE1 MET 102 HE1 MET 102 -0.542 37.919 31.497 501 HE2 MET 102 HE2 MET 102 -1.533 36.639 30.803 502 HE3 MET 102 HE3 MET 102 -1.968 38.324 30.535 503 H LYS 103 H LYS 103 -3.358 34.592 25.881 504 HA LYS 103 HA LYS 103 -4.769 32.780 27.682 505 HB2 LYS 103 HB2 LYS 103 -5.316 33.615 24.831 506 HB3 LYS 103 HB3 LYS 103 -6.347 32.544 25.779 507 HG2 LYS 103 HG2 LYS 103 -6.574 34.342 27.495 508 HG3 LYS 103 HG3 LYS 103 -5.644 35.415 26.450 509 HD2 LYS 103 HD2 LYS 103 -7.342 35.067 24.650 510 HD3 LYS 103 HD3 LYS 103 -8.301 34.118 25.786 511 HE2 LYS 103 HE2 LYS 103 -8.185 36.167 27.337 512 HE3 LYS 103 HE3 LYS 103 -7.623 37.057 25.922 513 HZ1 LYS 103 HZ1 LYS 103 -10.236 35.806 26.411 514 HZ2 LYS 103 HZ2 LYS 103 -9.679 35.965 24.814 515 HZ3 LYS 103 HZ3 LYS 103 -9.880 37.343 25.788 516 H ALA 104 H ALA 104 -1.977 32.237 26.287 517 HA ALA 104 HA ALA 104 -2.209 30.185 24.441 518 HB1 ALA 104 HB1 ALA 104 -0.141 30.392 26.640 519 HB2 ALA 104 HB2 ALA 104 -0.078 31.270 25.112 520 HB3 ALA 104 HB3 ALA 104 0.027 29.510 25.122 521 H ALA 105 H ALA 105 -2.338 27.970 24.547 522 HA ALA 105 HA ALA 105 -3.166 26.802 27.139 523 HB1 ALA 105 HB1 ALA 105 -4.972 27.215 25.286 524 HB2 ALA 105 HB2 ALA 105 -4.939 25.672 26.142 525 HB3 ALA 105 HB3 ALA 105 -4.244 25.800 24.525 526 HA PRO 106 HA PRO 106 -0.271 23.554 26.598 527 HB2 PRO 106 HB2 PRO 106 -2.332 21.417 26.534 528 HB3 PRO 106 HB3 PRO 106 -0.993 21.667 27.671 529 HG2 PRO 106 HG2 PRO 106 -3.525 22.124 28.359 530 HG3 PRO 106 HG3 PRO 106 -2.190 23.114 28.976 531 HD2 PRO 106 HD2 PRO 106 -4.188 23.775 26.846 532 HD3 PRO 106 HD3 PRO 106 -3.457 24.831 28.075 533 H GLY 107 H GLY 107 0.782 22.396 25.002 534 HA2 GLY 107 HA2 GLY 107 0.822 20.977 23.075 535 HA3 GLY 107 HA3 GLY 107 -0.738 21.626 22.599 536 H GLN 108 H GLN 108 0.583 24.415 23.341 537 HA GLN 108 HA GLN 108 1.449 24.878 20.594 538 HB2 GLN 108 HB2 GLN 108 0.935 26.777 22.890 539 HB3 GLN 108 HB3 GLN 108 1.439 27.281 21.274 540 HG2 GLN 108 HG2 GLN 108 -0.552 26.133 20.324 541 HG3 GLN 108 HG3 GLN 108 -1.074 25.731 21.958 542 HE21 GLN 108 HE21 GLN 108 -0.923 28.289 19.572 543 HE22 GLN 108 HE22 GLN 108 -1.717 29.464 20.504 544 H GLN 109 H GLN 109 3.397 26.128 20.129 545 HA GLN 109 HA GLN 109 5.596 25.351 21.958 546 HB2 GLN 109 HB2 GLN 109 5.580 25.694 18.951 547 HB3 GLN 109 HB3 GLN 109 7.015 25.353 19.918 548 HG2 GLN 109 HG2 GLN 109 6.027 23.262 20.710 549 HG3 GLN 109 HG3 GLN 109 4.539 23.607 19.833 550 HE21 GLN 109 HE21 GLN 109 6.066 21.235 19.327 551 HE22 GLN 109 HE22 GLN 109 6.706 21.341 17.757 552 H ILE 110 H ILE 110 7.225 26.769 22.385 553 HA ILE 110 HA ILE 110 6.965 29.537 21.376 554 HB ILE 110 HB ILE 110 7.838 28.621 24.133 555 HG12 ILE 110 HG12 ILE 110 5.419 30.241 23.285 556 HG13 ILE 110 HG13 ILE 110 5.375 28.511 23.626 557 HG21 ILE 110 HG21 ILE 110 7.582 31.398 22.934 558 HG22 ILE 110 HG22 ILE 110 9.079 30.602 23.421 559 HG23 ILE 110 HG23 ILE 110 7.888 31.057 24.639 560 HD11 ILE 110 HD11 ILE 110 4.697 29.890 25.590 561 HD12 ILE 110 HD12 ILE 110 6.298 30.626 25.597 562 HD13 ILE 110 HD13 ILE 110 6.119 28.900 25.917 563 H ILE 111 H ILE 111 8.828 30.444 20.574 564 HA ILE 111 HA ILE 111 11.243 28.728 20.603 565 HB ILE 111 HB ILE 111 10.534 30.951 18.671 566 HG12 ILE 111 HG12 ILE 111 10.470 27.948 18.246 567 HG13 ILE 111 HG13 ILE 111 9.035 28.932 18.531 568 HG21 ILE 111 HG21 ILE 111 12.980 30.438 19.046 569 HG22 ILE 111 HG22 ILE 111 12.428 30.152 17.395 570 HG23 ILE 111 HG23 ILE 111 12.657 28.793 18.496 571 HD11 ILE 111 HD11 ILE 111 9.904 30.368 16.541 572 HD12 ILE 111 HD12 ILE 111 9.135 28.821 16.185 573 HD13 ILE 111 HD13 ILE 111 10.893 28.959 16.162 574 H LEU 112 H LEU 112 13.025 29.434 21.590 575 HA LEU 112 HA LEU 112 13.185 32.283 22.383 576 HB2 LEU 112 HB2 LEU 112 14.407 29.826 23.669 577 HB3 LEU 112 HB3 LEU 112 14.686 31.487 24.193 578 HG LEU 112 HG LEU 112 11.873 30.463 23.929 579 HD11 LEU 112 HD11 LEU 112 13.378 28.903 25.354 580 HD12 LEU 112 HD12 LEU 112 11.893 29.507 26.089 581 HD13 LEU 112 HD13 LEU 112 13.441 30.246 26.497 582 HD21 LEU 112 HD21 LEU 112 13.217 32.466 25.773 583 HD22 LEU 112 HD22 LEU 112 11.484 32.149 25.675 584 HD23 LEU 112 HD23 LEU 112 12.327 32.877 24.307 585 HA PRO 113 HA PRO 113 16.828 31.669 19.680 586 HB2 PRO 113 HB2 PRO 113 16.451 33.668 17.931 587 HB3 PRO 113 HB3 PRO 113 15.512 32.165 17.815 588 HG2 PRO 113 HG2 PRO 113 14.689 34.831 18.791 589 HG3 PRO 113 HG3 PRO 113 13.741 33.582 17.968 590 HD2 PRO 113 HD2 PRO 113 13.809 34.081 20.763 591 HD3 PRO 113 HD3 PRO 113 13.047 32.700 19.946 592 H LEU 114 H LEU 114 18.567 32.334 20.860 593 HA LEU 114 HA LEU 114 18.691 35.108 21.814 594 HB2 LEU 114 HB2 LEU 114 20.536 32.775 22.382 595 HB3 LEU 114 HB3 LEU 114 20.587 34.355 23.163 596 HG LEU 114 HG LEU 114 18.214 32.466 23.247 597 HD11 LEU 114 HD11 LEU 114 20.281 31.700 24.493 598 HD12 LEU 114 HD12 LEU 114 18.870 31.972 25.515 599 HD13 LEU 114 HD13 LEU 114 20.162 33.170 25.459 600 HD21 LEU 114 HD21 LEU 114 18.824 35.150 24.510 601 HD22 LEU 114 HD22 LEU 114 17.585 34.070 25.151 602 HD23 LEU 114 HD23 LEU 114 17.436 34.709 23.514 603 H LYS 115 H LYS 115 20.151 36.575 21.092 604 HA LYS 115 HA LYS 115 21.982 35.728 18.917 605 HB2 LYS 115 HB2 LYS 115 20.456 38.325 19.224 606 HB3 LYS 115 HB3 LYS 115 21.660 38.003 17.976 607 HG2 LYS 115 HG2 LYS 115 20.299 36.057 17.214 608 HG3 LYS 115 HG3 LYS 115 19.065 36.494 18.396 609 HD2 LYS 115 HD2 LYS 115 18.892 38.743 17.321 610 HD3 LYS 115 HD3 LYS 115 20.024 38.202 16.082 611 HE2 LYS 115 HE2 LYS 115 17.939 37.784 15.087 612 HE3 LYS 115 HE3 LYS 115 18.366 36.215 15.769 613 HZ1 LYS 115 HZ1 LYS 115 17.132 37.189 17.841 614 HZ2 LYS 115 HZ2 LYS 115 16.264 36.463 16.573 615 HZ3 LYS 115 HZ3 LYS 115 16.366 38.156 16.676 616 H LYS 116 H LYS 116 24.051 36.506 18.954 617 HA LYS 116 HA LYS 116 24.839 38.063 21.350 618 HB2 LYS 116 HB2 LYS 116 26.410 36.045 19.729 619 HB3 LYS 116 HB3 LYS 116 27.066 36.998 21.061 620 HG2 LYS 116 HG2 LYS 116 25.321 36.036 22.562 621 HG3 LYS 116 HG3 LYS 116 24.783 35.011 21.230 622 HD2 LYS 116 HD2 LYS 116 27.088 34.057 21.088 623 HD3 LYS 116 HD3 LYS 116 27.530 35.002 22.511 624 HE2 LYS 116 HE2 LYS 116 25.904 33.842 23.871 625 HE3 LYS 116 HE3 LYS 116 25.242 33.017 22.460 626 HZ1 LYS 116 HZ1 LYS 116 26.682 31.499 23.506 627 HZ2 LYS 116 HZ2 LYS 116 27.911 32.658 23.693 628 HZ3 LYS 116 HZ3 LYS 116 27.528 32.064 22.148 629 H LEU 117 H LEU 117 26.121 39.841 21.109 630 HA LEU 117 HA LEU 117 26.905 40.609 18.359 631 HB2 LEU 117 HB2 LEU 117 24.836 41.804 19.412 632 HB3 LEU 117 HB3 LEU 117 26.040 42.652 20.382 633 HG LEU 117 HG LEU 117 27.238 43.175 18.185 634 HD11 LEU 117 HD11 LEU 117 25.498 43.208 16.246 635 HD12 LEU 117 HD12 LEU 117 24.655 41.983 17.193 636 HD13 LEU 117 HD13 LEU 117 26.298 41.683 16.627 637 HD21 LEU 117 HD21 LEU 117 24.452 44.337 18.317 638 HD22 LEU 117 HD22 LEU 117 25.952 45.143 17.862 639 HD23 LEU 117 HD23 LEU 117 25.662 44.706 19.546 640 HA PRO 118 HA PRO 118 30.553 40.776 21.200 641 HB2 PRO 118 HB2 PRO 118 32.423 40.018 19.347 642 HB3 PRO 118 HB3 PRO 118 31.481 38.866 20.315 643 HG2 PRO 118 HG2 PRO 118 31.084 39.736 17.501 644 HG3 PRO 118 HG3 PRO 118 30.898 38.129 18.226 645 HD2 PRO 118 HD2 PRO 118 28.770 39.743 17.663 646 HD3 PRO 118 HD3 PRO 118 28.763 38.564 18.993 647 H PHE 119 H PHE 119 30.238 41.936 17.869 648 HA PHE 119 HA PHE 119 32.045 44.194 18.481 649 HB2 PHE 119 HB2 PHE 119 31.040 43.129 15.840 650 HB3 PHE 119 HB3 PHE 119 32.082 44.527 16.029 651 HD1 PHE 119 HD2 PHE 119 34.419 44.240 16.857 652 HD2 PHE 119 HD1 PHE 119 31.878 40.891 15.978 653 HE1 PHE 119 HE2 PHE 119 36.400 42.749 16.808 654 HE2 PHE 119 HE1 PHE 119 33.859 39.400 15.929 655 HZ PHE 119 HZ PHE 119 36.120 40.328 16.344 656 H GLU 120 H GLU 120 31.256 46.190 18.687 657 HA GLU 120 HA GLU 120 28.484 46.708 18.802 658 HB2 GLU 120 HB2 GLU 120 30.822 48.614 18.578 659 HB3 GLU 120 HB3 GLU 120 29.169 49.091 18.968 660 HG2 GLU 120 HG2 GLU 120 29.219 47.560 20.928 661 HG3 GLU 120 HG3 GLU 120 30.896 47.177 20.561 662 H TYR 121 H TYR 121 30.855 47.148 16.222 663 HA TYR 121 HA TYR 121 28.866 48.471 14.526 664 HB2 TYR 121 HB2 TYR 121 31.196 49.309 14.603 665 HB3 TYR 121 HB3 TYR 121 31.752 47.769 13.977 666 HD1 TYR 121 HD1 TYR 121 29.851 50.846 13.199 667 HD2 TYR 121 HD2 TYR 121 31.554 47.224 11.638 668 HE1 TYR 121 HE1 TYR 121 29.514 51.682 10.889 669 HE2 TYR 121 HE2 TYR 121 31.217 48.061 9.328 670 HH TYR 121 HH TYR 121 29.700 49.765 8.215 671 H SER 122 H SER 122 27.852 47.509 12.844 672 HA SER 122 HA SER 122 28.440 44.643 12.365 673 HB2 SER 122 HB2 SER 122 26.190 45.147 13.303 674 HB3 SER 122 HB3 SER 122 25.858 46.153 11.897 675 HG SER 122 HG SER 122 25.801 43.493 12.134 676 H ALA 123 H ALA 123 28.940 43.975 10.368 677 HA ALA 123 HA ALA 123 29.659 45.849 8.359 678 HB1 ALA 123 HB1 ALA 123 29.914 43.742 6.947 679 HB2 ALA 123 HB2 ALA 123 29.405 42.844 8.376 680 HB3 ALA 123 HB3 ALA 123 30.877 43.815 8.423 681 H LEU 124 H LEU 124 26.770 43.906 8.897 682 HA LEU 124 HA LEU 124 25.614 44.990 6.389 683 HB2 LEU 124 HB2 LEU 124 25.062 42.353 7.770 684 HB3 LEU 124 HB3 LEU 124 24.192 42.958 6.359 685 HG LEU 124 HG LEU 124 27.191 42.785 6.292 686 HD11 LEU 124 HD11 LEU 124 25.255 40.515 5.733 687 HD12 LEU 124 HD12 LEU 124 26.437 40.567 7.041 688 HD13 LEU 124 HD13 LEU 124 26.980 40.495 5.365 689 HD21 LEU 124 HD21 LEU 124 24.961 42.583 4.243 690 HD22 LEU 124 HD22 LEU 124 26.673 42.388 3.867 691 HD23 LEU 124 HD23 LEU 124 26.071 43.936 4.462 692 HA PRO 125 HA PRO 125 22.886 46.482 9.773 693 HB2 PRO 125 HB2 PRO 125 22.663 49.066 9.020 694 HB3 PRO 125 HB3 PRO 125 24.069 48.475 9.927 695 HG2 PRO 125 HG2 PRO 125 23.816 49.123 7.049 696 HG3 PRO 125 HG3 PRO 125 25.199 49.322 8.139 697 HD2 PRO 125 HD2 PRO 125 24.869 47.227 6.311 698 HD3 PRO 125 HD3 PRO 125 26.000 47.237 7.679 699 H LEU 126 H LEU 126 20.769 46.032 9.531 700 HA LEU 126 HA LEU 126 19.547 46.326 6.871 701 HB2 LEU 126 HB2 LEU 126 19.453 44.112 8.017 702 HB3 LEU 126 HB3 LEU 126 18.498 44.857 9.300 703 HG LEU 126 HG LEU 126 16.867 45.604 7.501 704 HD11 LEU 126 HD11 LEU 126 18.176 45.445 5.517 705 HD12 LEU 126 HD12 LEU 126 17.010 44.127 5.409 706 HD13 LEU 126 HD13 LEU 126 18.674 43.794 5.888 707 HD21 LEU 126 HD21 LEU 126 17.392 42.684 8.085 708 HD22 LEU 126 HD22 LEU 126 15.968 43.218 7.192 709 HD23 LEU 126 HD23 LEU 126 16.218 43.753 8.854 710 H LEU 127 H LEU 127 18.072 47.836 6.464 711 HA LEU 127 HA LEU 127 17.025 49.436 8.714 712 HB2 LEU 127 HB2 LEU 127 18.315 50.624 6.935 713 HB3 LEU 127 HB3 LEU 127 17.092 50.123 5.767 714 HG LEU 127 HG LEU 127 15.366 51.231 7.269 715 HD11 LEU 127 HD11 LEU 127 16.397 53.043 8.750 716 HD12 LEU 127 HD12 LEU 127 17.923 52.174 8.582 717 HD13 LEU 127 HD13 LEU 127 16.540 51.390 9.345 718 HD21 LEU 127 HD21 LEU 127 17.495 53.131 6.260 719 HD22 LEU 127 HD22 LEU 127 15.752 53.394 6.319 720 HD23 LEU 127 HD23 LEU 127 16.432 52.237 5.175 721 H GLY 128 H GLY 128 14.852 49.682 9.026 722 HA2 GLY 128 HA2 GLY 128 12.560 49.566 8.459 723 HA3 GLY 128 HA3 GLY 128 12.978 48.576 7.064 724 H SER 129 H SER 129 13.877 48.178 10.475 725 HA SER 129 HA SER 129 13.539 45.407 10.545 726 HB2 SER 129 HB2 SER 129 13.244 47.339 12.856 727 HB3 SER 129 HB3 SER 129 13.597 45.619 12.969 728 HG SER 129 HG SER 129 15.573 46.065 12.426 729 H ALA 130 H ALA 130 11.198 47.991 11.102 730 HA ALA 130 HA ALA 130 9.094 45.940 11.505 731 HB1 ALA 130 HB1 ALA 130 9.669 47.571 13.430 732 HB2 ALA 130 HB2 ALA 130 7.975 47.371 12.986 733 HB3 ALA 130 HB3 ALA 130 8.868 48.791 12.439 734 HA PRO 131 HA PRO 131 8.096 48.175 7.584 735 HB2 PRO 131 HB2 PRO 131 6.994 46.051 6.268 736 HB3 PRO 131 HB3 PRO 131 8.736 46.391 6.278 737 HG2 PRO 131 HG2 PRO 131 7.191 44.413 7.867 738 HG3 PRO 131 HG3 PRO 131 8.793 44.264 7.122 739 HD2 PRO 131 HD2 PRO 131 8.432 44.749 9.793 740 HD3 PRO 131 HD3 PRO 131 9.866 45.281 8.890 741 H LEU 132 H LEU 132 6.174 46.074 9.640 742 HA LEU 132 HA LEU 132 3.615 46.540 8.618 743 HB2 LEU 132 HB2 LEU 132 4.417 46.185 11.515 744 HB3 LEU 132 HB3 LEU 132 2.799 45.953 10.853 745 HG LEU 132 HG LEU 132 5.251 44.393 9.985 746 HD11 LEU 132 HD11 LEU 132 2.903 43.464 11.661 747 HD12 LEU 132 HD12 LEU 132 4.453 43.953 12.346 748 HD13 LEU 132 HD13 LEU 132 4.364 42.555 11.274 749 HD21 LEU 132 HD21 LEU 132 3.747 44.344 8.176 750 HD22 LEU 132 HD22 LEU 132 2.333 44.370 9.230 751 HD23 LEU 132 HD23 LEU 132 3.301 42.902 9.088 752 H VAL 133 H VAL 133 5.602 48.527 10.763 753 HA VAL 133 HA VAL 133 3.450 50.555 10.842 754 HB VAL 133 HB VAL 133 5.933 50.342 12.568 755 HG11 VAL 133 HG11 VAL 133 4.459 51.943 13.983 756 HG12 VAL 133 HG12 VAL 133 3.564 52.207 12.488 757 HG13 VAL 133 HG13 VAL 133 5.278 52.608 12.571 758 HG21 VAL 133 HG21 VAL 133 4.321 48.493 12.964 759 HG22 VAL 133 HG22 VAL 133 3.037 49.679 13.199 760 HG23 VAL 133 HG23 VAL 133 4.387 49.603 14.333 761 H ALA 134 H ALA 134 3.694 52.429 9.799 762 HA ALA 134 HA ALA 134 5.792 52.838 7.949 763 HB1 ALA 134 HB1 ALA 134 3.673 53.854 7.515 764 HB2 ALA 134 HB2 ALA 134 4.817 55.167 7.793 765 HB3 ALA 134 HB3 ALA 134 3.688 54.697 9.064 766 H ALA 135 H ALA 135 5.254 54.048 11.231 767 HA ALA 135 HA ALA 135 7.254 56.016 11.294 768 HB1 ALA 135 HB1 ALA 135 7.219 55.666 13.758 769 HB2 ALA 135 HB2 ALA 135 6.215 54.237 13.512 770 HB3 ALA 135 HB3 ALA 135 5.603 55.831 13.070 771 H GLY 136 H GLY 136 9.413 55.977 11.935 772 HA2 GLY 136 HA2 GLY 136 10.723 53.455 12.533 773 HA3 GLY 136 HA3 GLY 136 11.136 54.147 10.968 774 H GLY 137 H GLY 137 13.296 54.019 12.220 775 HA2 GLY 137 HA2 GLY 137 15.087 55.234 13.011 776 HA3 GLY 137 HA3 GLY 137 14.086 56.677 12.871 777 H VAL 138 H VAL 138 13.929 57.711 14.751 778 HA VAL 138 HA VAL 138 14.583 56.606 17.253 779 HB VAL 138 HB VAL 138 13.602 58.670 18.195 780 HG11 VAL 138 HG11 VAL 138 15.858 58.786 17.307 781 HG12 VAL 138 HG12 VAL 138 15.010 60.267 16.865 782 HG13 VAL 138 HG13 VAL 138 15.245 58.994 15.667 783 HG21 VAL 138 HG21 VAL 138 12.671 60.333 16.532 784 HG22 VAL 138 HG22 VAL 138 11.640 58.929 16.802 785 HG23 VAL 138 HG23 VAL 138 12.627 59.031 15.344 786 H ALA 139 H ALA 139 13.455 55.464 18.703 787 HA ALA 139 HA ALA 139 10.545 55.533 18.730 788 HB1 ALA 139 HB1 ALA 139 10.770 53.819 17.107 789 HB2 ALA 139 HB2 ALA 139 10.493 52.978 18.632 790 HB3 ALA 139 HB3 ALA 139 12.121 53.078 17.964 791 H GLY 140 H GLY 140 9.639 54.474 20.600 792 HA2 GLY 140 HA2 GLY 140 9.819 53.349 22.687 793 HA3 GLY 140 HA3 GLY 140 11.548 53.648 22.673 794 H HIS 141 H HIS 141 10.249 56.564 21.826 795 HA HIS 141 HA HIS 141 10.893 57.892 24.182 796 HB2 HIS 141 HB2 HIS 141 8.892 58.669 22.059 797 HB3 HIS 141 HB3 HIS 141 9.508 59.749 23.296 798 HD1 HIS 141 HD1 HIS 141 12.276 59.976 23.231 799 HD2 HIS 141 HD2 HIS 141 10.368 58.715 19.744 800 HE1 HIS 141 HE1 HIS 141 13.915 60.360 21.341 801 H THR 142 H THR 142 7.848 56.375 23.238 802 HA THR 142 HA THR 142 6.721 57.108 25.882 803 HB THR 142 HB THR 142 5.551 58.254 24.058 804 HG1 THR 142 HG1 THR 142 4.286 57.586 25.722 805 HG21 THR 142 HG21 THR 142 4.917 55.479 23.020 806 HG22 THR 142 HG22 THR 142 6.097 56.568 22.293 807 HG23 THR 142 HG23 THR 142 4.390 57.011 22.324 808 H ASN 143 H ASN 143 5.501 55.563 26.962 809 HA ASN 143 HA ASN 143 5.864 52.777 26.014 810 HB2 ASN 143 HB2 ASN 143 5.784 53.841 28.848 811 HB3 ASN 143 HB3 ASN 143 5.909 52.141 28.400 812 HD21 ASN 143 HD21 ASN 143 7.908 53.930 29.833 813 HD22 ASN 143 HD22 ASN 143 9.329 53.806 28.914 814 H GLY 144 H GLY 144 4.185 51.281 26.529 815 HA2 GLY 144 HA2 GLY 144 2.018 50.604 27.018 816 HA3 GLY 144 HA3 GLY 144 1.689 52.215 27.645 817 H SER 145 H SER 145 2.953 51.524 24.418 818 HA SER 145 HA SER 145 1.120 53.180 23.091 819 HB2 SER 145 HB2 SER 145 2.620 50.815 21.945 820 HB3 SER 145 HB3 SER 145 1.933 52.159 21.038 821 HG SER 145 HG SER 145 3.703 53.149 21.503 822 H GLY 146 H GLY 146 1.003 49.722 23.813 823 HA2 GLY 146 HA2 GLY 146 -1.111 48.954 22.163 824 HA3 GLY 146 HA3 GLY 146 -0.714 48.196 23.701 825 H SER 147 H SER 147 -1.171 50.595 25.293 826 HA SER 147 HA SER 147 -3.871 50.196 25.939 827 HB2 SER 147 HB2 SER 147 -3.627 52.057 27.451 828 HB3 SER 147 HB3 SER 147 -2.122 51.143 27.457 829 HG SER 147 HG SER 147 -1.196 52.788 26.528 830 H GLU 148 H GLU 148 -2.359 52.525 23.760 831 HA GLU 148 HA GLU 148 -4.997 53.756 23.254 832 HB2 GLU 148 HB2 GLU 148 -2.210 54.679 22.510 833 HB3 GLU 148 HB3 GLU 148 -3.702 55.542 22.134 834 HG2 GLU 148 HG2 GLU 148 -4.219 55.648 24.566 835 HG3 GLU 148 HG3 GLU 148 -2.681 54.867 24.908 836 H ASN 149 H ASN 149 -6.043 53.366 21.402 837 HA ASN 149 HA ASN 149 -5.207 51.399 19.572 838 HB2 ASN 149 HB2 ASN 149 -7.576 52.206 19.992 839 HB3 ASN 149 HB3 ASN 149 -7.191 53.600 18.984 840 HD21 ASN 149 HD21 ASN 149 -8.799 52.830 17.379 841 HD22 ASN 149 HD22 ASN 149 -8.418 51.537 16.348 842 H LEU 150 H LEU 150 -5.036 54.936 19.448 843 HA LEU 150 HA LEU 150 -3.455 54.741 16.954 844 HB2 LEU 150 HB2 LEU 150 -4.857 57.144 18.148 845 HB3 LEU 150 HB3 LEU 150 -4.012 57.093 16.602 846 HG LEU 150 HG LEU 150 -6.415 55.382 17.311 847 HD11 LEU 150 HD11 LEU 150 -6.349 57.640 15.312 848 HD12 LEU 150 HD12 LEU 150 -6.715 57.946 17.011 849 HD13 LEU 150 HD13 LEU 150 -7.749 56.875 16.066 850 HD21 LEU 150 HD21 LEU 150 -5.179 54.222 15.659 851 HD22 LEU 150 HD22 LEU 150 -4.696 55.713 14.850 852 HD23 LEU 150 HD23 LEU 150 -6.361 55.142 14.726 853 H TYR 151 H TYR 151 -1.361 55.292 16.963 854 HA TYR 151 HA TYR 151 0.062 55.768 19.351 855 HB2 TYR 151 HB2 TYR 151 1.058 54.817 17.300 856 HB3 TYR 151 HB3 TYR 151 0.882 56.369 16.506 857 HD1 TYR 151 HD1 TYR 151 2.664 54.513 19.164 858 HD2 TYR 151 HD2 TYR 151 2.420 58.175 16.933 859 HE1 TYR 151 HE1 TYR 151 4.882 55.195 20.040 860 HE2 TYR 151 HE2 TYR 151 4.637 58.857 17.809 861 HH TYR 151 HH TYR 151 6.223 58.337 19.345 862 H PHE 152 H PHE 152 -1.087 57.952 16.808 863 HA PHE 152 HA PHE 152 0.122 60.313 17.747 864 HB2 PHE 152 HB2 PHE 152 -2.437 59.893 16.202 865 HB3 PHE 152 HB3 PHE 152 -1.701 61.461 16.476 866 HD1 PHE 152 HD2 PHE 152 0.498 62.008 15.440 867 HD2 PHE 152 HD1 PHE 152 -1.584 58.351 14.577 868 HE1 PHE 152 HE2 PHE 152 1.918 61.671 13.434 869 HE2 PHE 152 HE1 PHE 152 -0.163 58.015 12.572 870 HZ PHE 152 HZ PHE 152 1.588 59.675 12.001 871 H GLN 153 H GLN 153 -2.956 58.771 18.572 872 HA GLN 153 HA GLN 153 -3.187 60.608 20.873 873 HB2 GLN 153 HB2 GLN 153 -5.408 59.813 18.975 874 HB3 GLN 153 HB3 GLN 153 -5.651 60.662 20.503 875 HG2 GLN 153 HG2 GLN 153 -4.269 62.522 19.727 876 HG3 GLN 153 HG3 GLN 153 -3.921 61.668 18.227 877 HE21 GLN 153 HE21 GLN 153 -5.178 64.244 18.232 878 HE22 GLN 153 HE22 GLN 153 -6.766 64.060 17.659 Start of MODEL 2 1 H1 MET 39 HT1 MET 39 53.797 33.646 19.193 2 H2 MET 39 HT2 MET 39 52.330 34.469 19.431 3 H3 MET 39 HT3 MET 39 52.329 32.800 19.114 4 HA MET 39 HA MET 39 51.922 33.269 21.463 5 HB2 MET 39 HB2 MET 39 54.580 31.958 20.817 6 HB3 MET 39 HB3 MET 39 53.696 31.760 22.331 7 HG2 MET 39 HG2 MET 39 51.740 30.910 20.995 8 HG3 MET 39 HG3 MET 39 52.771 30.942 19.564 9 HE1 MET 39 HE1 MET 39 53.020 28.243 23.241 10 HE2 MET 39 HE2 MET 39 51.879 29.538 22.888 11 HE3 MET 39 HE3 MET 39 53.523 29.932 23.383 12 H ASN 40 H ASN 40 55.093 34.350 20.274 13 HA ASN 40 HA ASN 40 55.617 35.781 22.753 14 HB2 ASN 40 HB2 ASN 40 57.783 36.273 21.795 15 HB3 ASN 40 HB3 ASN 40 57.418 34.564 21.585 16 HD21 ASN 40 HD21 ASN 40 59.313 35.905 19.906 17 HD22 ASN 40 HD22 ASN 40 58.679 35.968 18.333 18 H GLY 41 H GLY 41 53.554 36.596 20.435 19 HA2 GLY 41 HA2 GLY 41 54.145 39.461 20.730 20 HA3 GLY 41 HA3 GLY 41 53.899 38.819 19.108 21 H GLU 42 H GLU 42 52.377 40.526 21.355 22 HA GLU 42 HA GLU 42 49.883 39.309 21.766 23 HB2 GLU 42 HB2 GLU 42 50.710 41.364 22.925 24 HB3 GLU 42 HB3 GLU 42 50.409 42.269 21.440 25 HG2 GLU 42 HG2 GLU 42 48.029 41.541 21.516 26 HG3 GLU 42 HG3 GLU 42 48.347 40.735 23.046 27 H ASN 43 H ASN 43 51.109 41.201 19.042 28 HA ASN 43 HA ASN 43 48.727 41.708 17.690 29 HB2 ASN 43 HB2 ASN 43 51.470 41.093 16.574 30 HB3 ASN 43 HB3 ASN 43 50.134 41.758 15.636 31 HD21 ASN 43 HD21 ASN 43 52.654 43.151 16.094 32 HD22 ASN 43 HD22 ASN 43 52.299 44.546 16.994 33 H TYR 44 H TYR 44 50.697 38.770 17.763 34 HA TYR 44 HA TYR 44 48.699 37.420 16.047 35 HB2 TYR 44 HB2 TYR 44 51.047 37.361 15.270 36 HB3 TYR 44 HB3 TYR 44 51.509 36.579 16.770 37 HD1 TYR 44 HD1 TYR 44 49.639 36.189 13.601 38 HD2 TYR 44 HD2 TYR 44 51.106 34.230 17.131 39 HE1 TYR 44 HE1 TYR 44 49.138 33.983 12.585 40 HE2 TYR 44 HE2 TYR 44 50.604 32.024 16.115 41 HH TYR 44 HH TYR 44 50.323 31.307 13.373 42 H PHE 45 H PHE 45 47.349 36.017 16.973 43 HA PHE 45 HA PHE 45 48.178 34.606 19.411 44 HB2 PHE 45 HB2 PHE 45 46.042 35.121 20.505 45 HB3 PHE 45 HB3 PHE 45 46.996 36.564 20.216 46 HD1 PHE 45 HD2 PHE 45 46.365 38.120 18.356 47 HD2 PHE 45 HD1 PHE 45 43.887 34.810 19.520 48 HE1 PHE 45 HE2 PHE 45 44.445 39.137 17.162 49 HE2 PHE 45 HE1 PHE 45 41.968 35.826 18.325 50 HZ PHE 45 HZ PHE 45 42.246 37.991 17.147 51 H LYS 46 H LYS 46 47.087 32.652 19.777 52 HA LYS 46 HA LYS 46 45.657 31.599 17.424 53 HB2 LYS 46 HB2 LYS 46 47.054 30.184 19.699 54 HB3 LYS 46 HB3 LYS 46 46.204 29.375 18.382 55 HG2 LYS 46 HG2 LYS 46 47.697 30.534 16.754 56 HG3 LYS 46 HG3 LYS 46 48.595 31.219 18.110 57 HD2 LYS 46 HD2 LYS 46 49.055 28.901 18.921 58 HD3 LYS 46 HD3 LYS 46 48.268 28.273 17.472 59 HE2 LYS 46 HE2 LYS 46 49.904 29.514 16.072 60 HE3 LYS 46 HE3 LYS 46 50.716 30.062 17.539 61 HZ1 LYS 46 HZ1 LYS 46 51.613 27.993 16.382 62 HZ2 LYS 46 HZ2 LYS 46 50.259 27.191 17.023 63 HZ3 LYS 46 HZ3 LYS 46 51.390 27.917 18.062 64 H LEU 47 H LEU 47 44.522 33.175 19.887 65 HA LEU 47 HA LEU 47 42.673 31.181 20.962 66 HB2 LEU 47 HB2 LEU 47 42.912 34.137 21.573 67 HB3 LEU 47 HB3 LEU 47 41.938 32.965 22.459 68 HG LEU 47 HG LEU 47 44.954 32.832 22.162 69 HD11 LEU 47 HD11 LEU 47 44.319 34.716 23.572 70 HD12 LEU 47 HD12 LEU 47 44.928 33.415 24.595 71 HD13 LEU 47 HD13 LEU 47 43.192 33.702 24.473 72 HD21 LEU 47 HD21 LEU 47 44.031 30.622 22.466 73 HD22 LEU 47 HD22 LEU 47 42.931 31.196 23.719 74 HD23 LEU 47 HD23 LEU 47 44.666 31.137 24.029 75 H GLY 48 H GLY 48 40.419 31.332 20.764 76 HA2 GLY 48 HA2 GLY 48 38.384 32.091 19.907 77 HA3 GLY 48 HA3 GLY 48 39.246 33.357 19.042 78 H SER 49 H SER 49 39.977 29.901 18.911 79 HA SER 49 HA SER 49 39.108 29.876 16.073 80 HB2 SER 49 HB2 SER 49 41.581 29.778 16.360 81 HB3 SER 49 HB3 SER 49 41.383 28.318 17.324 82 HG SER 49 HG SER 49 40.232 27.556 15.405 83 H ASP 50 H ASP 50 37.687 28.349 15.508 84 HA ASP 50 HA ASP 50 36.388 26.738 17.427 85 HB2 ASP 50 HB2 ASP 50 36.423 26.545 14.408 86 HB3 ASP 50 HB3 ASP 50 35.314 25.665 15.454 87 H SER 51 H SER 51 38.944 26.032 15.084 88 HA SER 51 HA SER 51 38.953 23.228 15.363 89 HB2 SER 51 HB2 SER 51 41.129 23.304 14.309 90 HB3 SER 51 HB3 SER 51 40.085 24.497 13.545 91 HG SER 51 HG SER 51 41.082 25.918 15.198 92 H LYS 52 H LYS 52 40.418 25.757 17.325 93 HA LYS 52 HA LYS 52 42.363 24.248 18.657 94 HB2 LYS 52 HB2 LYS 52 42.125 26.727 18.789 95 HB3 LYS 52 HB3 LYS 52 40.714 26.501 19.823 96 HG2 LYS 52 HG2 LYS 52 42.124 25.219 21.423 97 HG3 LYS 52 HG3 LYS 52 43.532 25.548 20.413 98 HD2 LYS 52 HD2 LYS 52 43.085 28.001 20.690 99 HD3 LYS 52 HD3 LYS 52 41.805 27.593 21.834 100 HE2 LYS 52 HE2 LYS 52 43.561 26.277 23.133 101 HE3 LYS 52 HE3 LYS 52 44.768 27.046 22.103 102 HZ1 LYS 52 HZ1 LYS 52 43.675 28.084 24.391 103 HZ2 LYS 52 HZ2 LYS 52 42.907 28.937 23.138 104 HZ3 LYS 52 HZ3 LYS 52 44.603 28.924 23.246 105 H LEU 53 H LEU 53 38.902 24.632 19.315 106 HA LEU 53 HA LEU 53 39.137 22.769 21.587 107 HB2 LEU 53 HB2 LEU 53 37.933 24.959 21.875 108 HB3 LEU 53 HB3 LEU 53 36.732 24.388 20.718 109 HG LEU 53 HG LEU 53 36.368 22.382 22.205 110 HD11 LEU 53 HD11 LEU 53 38.332 22.243 23.512 111 HD12 LEU 53 HD12 LEU 53 37.128 22.864 24.641 112 HD13 LEU 53 HD13 LEU 53 38.297 23.962 23.906 113 HD21 LEU 53 HD21 LEU 53 34.970 23.591 23.783 114 HD22 LEU 53 HD22 LEU 53 34.928 24.444 22.240 115 HD23 LEU 53 HD23 LEU 53 35.922 25.059 23.561 116 H LEU 54 H LEU 54 38.529 20.724 21.399 117 HA LEU 54 HA LEU 54 37.912 19.598 18.888 118 HB2 LEU 54 HB2 LEU 54 37.585 18.379 21.638 119 HB3 LEU 54 HB3 LEU 54 37.648 17.496 20.114 120 HG LEU 54 HG LEU 54 39.874 19.263 21.174 121 HD11 LEU 54 HD11 LEU 54 39.642 17.276 22.566 122 HD12 LEU 54 HD12 LEU 54 41.050 17.079 21.522 123 HD13 LEU 54 HD13 LEU 54 39.543 16.248 21.136 124 HD21 LEU 54 HD21 LEU 54 39.972 19.165 18.776 125 HD22 LEU 54 HD22 LEU 54 39.600 17.441 18.769 126 HD23 LEU 54 HD23 LEU 54 41.161 18.004 19.368 127 H THR 55 H THR 55 35.845 20.624 21.550 128 HA THR 55 HA THR 55 33.487 19.670 20.021 129 HB THR 55 HB THR 55 33.834 18.328 22.043 130 HG1 THR 55 HG1 THR 55 31.790 18.847 22.935 131 HG21 THR 55 HG21 THR 55 33.685 19.375 24.263 132 HG22 THR 55 HG22 THR 55 33.584 20.968 23.512 133 HG23 THR 55 HG23 THR 55 35.061 20.016 23.364 134 H HIS 56 H HIS 56 31.616 20.939 20.095 135 HA HIS 56 HA HIS 56 31.997 23.718 21.058 136 HB2 HIS 56 HB2 HIS 56 30.578 22.759 18.570 137 HB3 HIS 56 HB3 HIS 56 30.560 24.410 19.159 138 HD1 HIS 56 HD1 HIS 56 32.705 21.900 17.411 139 HD2 HIS 56 HD2 HIS 56 33.013 25.835 18.752 140 HE1 HIS 56 HE1 HIS 56 34.801 22.852 16.359 141 H ASN 57 H ASN 57 30.445 24.494 22.354 142 HA ASN 57 HA ASN 57 28.432 22.781 23.381 143 HB2 ASN 57 HB2 ASN 57 27.719 24.709 24.685 144 HB3 ASN 57 HB3 ASN 57 29.475 24.579 24.698 145 HD21 ASN 57 HD21 ASN 57 27.970 27.059 25.150 146 HD22 ASN 57 HD22 ASN 57 28.398 28.125 23.900 147 H SER 58 H SER 58 28.406 25.163 20.805 148 HA SER 58 HA SER 58 25.516 25.361 20.755 149 HB2 SER 58 HB2 SER 58 26.967 27.273 20.116 150 HB3 SER 58 HB3 SER 58 27.560 26.338 18.748 151 HG SER 58 HG SER 58 25.648 26.559 17.833 152 H TYR 59 H TYR 59 24.131 24.379 19.368 153 HA TYR 59 HA TYR 59 25.155 22.775 17.158 154 HB2 TYR 59 HB2 TYR 59 24.089 20.738 17.868 155 HB3 TYR 59 HB3 TYR 59 25.199 21.269 19.115 156 HD1 TYR 59 HD2 TYR 59 24.306 22.309 21.213 157 HD2 TYR 59 HD1 TYR 59 21.743 20.531 18.260 158 HE1 TYR 59 HE2 TYR 59 22.468 22.200 22.874 159 HE2 TYR 59 HE1 TYR 59 19.904 20.422 19.921 160 HH TYR 59 HH TYR 59 19.951 22.061 22.794 161 H GLN 60 H GLN 60 22.332 23.816 19.041 162 HA GLN 60 HA GLN 60 20.747 23.881 16.542 163 HB2 GLN 60 HB2 GLN 60 19.865 22.507 18.450 164 HB3 GLN 60 HB3 GLN 60 19.733 23.995 19.390 165 HG2 GLN 60 HG2 GLN 60 17.580 23.633 18.410 166 HG3 GLN 60 HG3 GLN 60 18.332 24.933 17.487 167 HE21 GLN 60 HE21 GLN 60 17.556 24.589 15.377 168 HE22 GLN 60 HE22 GLN 60 17.693 23.118 14.542 169 H ASN 61 H ASN 61 20.332 25.807 15.679 170 HA ASN 61 HA ASN 61 21.402 28.196 16.660 171 HB2 ASN 61 HB2 ASN 61 20.691 27.686 14.285 172 HB3 ASN 61 HB3 ASN 61 19.034 27.998 14.797 173 HD21 ASN 61 HD21 ASN 61 18.992 29.901 13.336 174 HD22 ASN 61 HD22 ASN 61 19.774 31.338 13.790 175 H ARG 62 H ARG 62 18.123 26.876 16.958 176 HA ARG 62 HA ARG 62 17.561 28.931 19.015 177 HB2 ARG 62 HB2 ARG 62 15.669 27.922 16.876 178 HB3 ARG 62 HB3 ARG 62 15.219 28.984 18.210 179 HG2 ARG 62 HG2 ARG 62 16.904 30.640 17.419 180 HG3 ARG 62 HG3 ARG 62 17.243 29.597 16.037 181 HD2 ARG 62 HD2 ARG 62 14.795 29.729 15.443 182 HD3 ARG 62 HD3 ARG 62 14.615 30.944 16.705 183 HE ARG 62 HE ARG 62 16.693 31.841 15.128 184 HH11 ARG 62 HH11 ARG 62 13.322 31.044 14.555 185 HH12 ARG 62 HH12 ARG 62 13.174 32.172 13.249 186 HH21 ARG 62 HH21 ARG 62 16.442 33.276 13.440 187 HH22 ARG 62 HH22 ARG 62 14.919 33.419 12.626 188 H LEU 63 H LEU 63 16.322 28.248 20.773 189 HA LEU 63 HA LEU 63 16.136 25.317 21.059 190 HB2 LEU 63 HB2 LEU 63 16.003 27.477 23.177 191 HB3 LEU 63 HB3 LEU 63 16.039 25.738 23.464 192 HG LEU 63 HG LEU 63 18.228 27.303 22.063 193 HD11 LEU 63 HD11 LEU 63 18.109 27.874 24.445 194 HD12 LEU 63 HD12 LEU 63 19.516 26.856 24.143 195 HD13 LEU 63 HD13 LEU 63 18.067 26.163 24.871 196 HD21 LEU 63 HD21 LEU 63 18.286 25.055 21.277 197 HD22 LEU 63 HD22 LEU 63 17.886 24.407 22.867 198 HD23 LEU 63 HD23 LEU 63 19.477 25.110 22.576 199 H PHE 64 H PHE 64 14.213 24.336 21.096 200 HA PHE 64 HA PHE 64 11.792 25.995 21.099 201 HB2 PHE 64 HB2 PHE 64 12.234 23.085 20.429 202 HB3 PHE 64 HB3 PHE 64 10.673 23.885 20.392 203 HD1 PHE 64 HD2 PHE 64 10.225 25.672 18.710 204 HD2 PHE 64 HD1 PHE 64 13.847 23.363 18.681 205 HE1 PHE 64 HE2 PHE 64 10.668 26.396 16.380 206 HE2 PHE 64 HE1 PHE 64 14.290 24.087 16.351 207 HZ PHE 64 HZ PHE 64 12.700 25.604 15.200 208 H TYR 65 H TYR 65 10.457 26.104 22.803 209 HA TYR 65 HA TYR 65 10.641 23.989 24.880 210 HB2 TYR 65 HB2 TYR 65 11.381 26.314 25.561 211 HB3 TYR 65 HB3 TYR 65 9.729 26.837 25.292 212 HD1 TYR 65 HD2 TYR 65 11.944 24.743 27.373 213 HD2 TYR 65 HD1 TYR 65 7.964 26.275 26.858 214 HE1 TYR 65 HE2 TYR 65 11.367 24.012 29.670 215 HE2 TYR 65 HE1 TYR 65 7.386 25.543 29.157 216 HH TYR 65 HH TYR 65 8.229 24.679 31.068 217 H THR 66 H THR 66 8.732 23.048 25.544 218 HA THR 66 HA THR 66 6.394 23.664 23.852 219 HB THR 66 HB THR 66 6.933 21.192 25.512 220 HG1 THR 66 HG1 THR 66 8.361 21.591 23.730 221 HG21 THR 66 HG21 THR 66 4.819 22.043 23.552 222 HG22 THR 66 HG22 THR 66 4.629 21.245 25.113 223 HG23 THR 66 HG23 THR 66 5.225 20.336 23.724 224 H LEU 67 H LEU 67 4.428 24.138 24.689 225 HA LEU 67 HA LEU 67 4.308 24.977 27.464 226 HB2 LEU 67 HB2 LEU 67 2.338 25.117 25.171 227 HB3 LEU 67 HB3 LEU 67 2.004 25.749 26.780 228 HG LEU 67 HG LEU 67 4.394 26.584 25.114 229 HD11 LEU 67 HD11 LEU 67 2.614 27.460 23.875 230 HD12 LEU 67 HD12 LEU 67 2.929 28.764 25.020 231 HD13 LEU 67 HD13 LEU 67 1.589 27.651 25.297 232 HD21 LEU 67 HD21 LEU 67 3.209 27.387 27.759 233 HD22 LEU 67 HD22 LEU 67 4.085 28.584 26.806 234 HD23 LEU 67 HD23 LEU 67 4.899 27.112 27.336 235 H LYS 68 H LYS 68 3.430 23.871 29.081 236 HA LYS 68 HA LYS 68 1.715 21.535 28.464 237 HB2 LYS 68 HB2 LYS 68 4.012 20.882 29.202 238 HB3 LYS 68 HB3 LYS 68 3.725 21.738 30.718 239 HG2 LYS 68 HG2 LYS 68 1.735 20.299 31.122 240 HG3 LYS 68 HG3 LYS 68 2.113 19.402 29.651 241 HD2 LYS 68 HD2 LYS 68 4.367 18.878 30.620 242 HD3 LYS 68 HD3 LYS 68 3.848 19.636 32.125 243 HE2 LYS 68 HE2 LYS 68 3.507 17.218 32.268 244 HE3 LYS 68 HE3 LYS 68 1.945 18.037 32.244 245 HZ1 LYS 68 HZ1 LYS 68 2.168 16.068 30.730 246 HZ2 LYS 68 HZ2 LYS 68 3.249 16.990 29.799 247 HZ3 LYS 68 HZ3 LYS 68 1.639 17.498 29.987 248 H THR 69 H THR 69 -0.037 21.197 29.808 249 HA THR 69 HA THR 69 -1.326 23.403 30.885 250 HB THR 69 HB THR 69 -2.507 21.348 30.310 251 HG1 THR 69 HG1 THR 69 -3.626 21.197 32.364 252 HG21 THR 69 HG21 THR 69 -1.227 20.142 32.775 253 HG22 THR 69 HG22 THR 69 -0.684 19.817 31.129 254 HG23 THR 69 HG23 THR 69 -2.305 19.338 31.635 255 H GLY 70 H GLY 70 -1.314 24.452 32.776 256 HA2 GLY 70 HA2 GLY 70 -1.142 24.447 35.197 257 HA3 GLY 70 HA3 GLY 70 0.159 23.273 35.056 258 H GLU 71 H GLU 71 1.372 24.818 32.764 259 HA GLU 71 HA GLU 71 2.636 26.933 34.405 260 HB2 GLU 71 HB2 GLU 71 4.065 25.004 33.615 261 HB3 GLU 71 HB3 GLU 71 3.785 25.566 31.966 262 HG2 GLU 71 HG2 GLU 71 4.692 27.795 32.607 263 HG3 GLU 71 HG3 GLU 71 5.050 27.163 34.208 264 H THR 72 H THR 72 2.920 28.979 33.547 265 HA THR 72 HA THR 72 1.414 29.540 31.054 266 HB THR 72 HB THR 72 0.945 31.747 31.979 267 HG1 THR 72 HG1 THR 72 1.966 32.393 33.675 268 HG21 THR 72 HG21 THR 72 -0.478 31.045 33.902 269 HG22 THR 72 HG22 THR 72 0.331 29.478 33.891 270 HG23 THR 72 HG23 THR 72 -0.644 29.977 32.509 271 H VAL 73 H VAL 73 2.166 31.407 29.811 272 HA VAL 73 HA VAL 73 4.881 31.221 29.131 273 HB VAL 73 HB VAL 73 2.979 33.527 28.623 274 HG11 VAL 73 HG11 VAL 73 5.402 34.021 28.221 275 HG12 VAL 73 HG12 VAL 73 4.437 34.056 26.746 276 HG13 VAL 73 HG13 VAL 73 5.456 32.661 27.101 277 HG21 VAL 73 HG21 VAL 73 3.544 30.957 27.123 278 HG22 VAL 73 HG22 VAL 73 2.719 32.336 26.396 279 HG23 VAL 73 HG23 VAL 73 1.998 31.503 27.773 280 H ALA 74 H ALA 74 3.163 33.547 31.198 281 HA ALA 74 HA ALA 74 5.315 35.278 31.700 282 HB1 ALA 74 HB1 ALA 74 2.742 35.351 32.381 283 HB2 ALA 74 HB2 ALA 74 3.962 36.257 33.275 284 HB3 ALA 74 HB3 ALA 74 3.379 34.711 33.895 285 H ASP 75 H ASP 75 4.373 32.232 33.256 286 HA ASP 75 HA ASP 75 6.128 32.366 35.456 287 HB2 ASP 75 HB2 ASP 75 5.073 29.965 33.945 288 HB3 ASP 75 HB3 ASP 75 5.902 29.885 35.497 289 H LEU 76 H LEU 76 6.555 31.004 32.201 290 HA LEU 76 HA LEU 76 9.144 29.976 32.537 291 HB2 LEU 76 HB2 LEU 76 7.720 31.084 30.114 292 HB3 LEU 76 HB3 LEU 76 9.332 30.374 30.026 293 HG LEU 76 HG LEU 76 7.086 28.870 31.350 294 HD11 LEU 76 HD11 LEU 76 6.310 29.549 29.082 295 HD12 LEU 76 HD12 LEU 76 6.578 27.810 29.199 296 HD13 LEU 76 HD13 LEU 76 7.767 28.833 28.392 297 HD21 LEU 76 HD21 LEU 76 9.470 27.908 29.748 298 HD22 LEU 76 HD22 LEU 76 8.461 26.967 30.846 299 HD23 LEU 76 HD23 LEU 76 9.546 28.202 31.485 300 H SER 77 H SER 77 8.055 33.195 31.542 301 HA SER 77 HA SER 77 10.568 34.281 30.916 302 HB2 SER 77 HB2 SER 77 8.326 35.295 30.387 303 HB3 SER 77 HB3 SER 77 8.213 35.779 32.076 304 HG SER 77 HG SER 77 9.954 37.061 31.752 305 H LYS 78 H LYS 78 8.795 34.185 33.984 306 HA LYS 78 HA LYS 78 10.530 35.853 35.446 307 HB2 LYS 78 HB2 LYS 78 8.245 35.174 36.173 308 HB3 LYS 78 HB3 LYS 78 8.863 33.555 36.494 309 HG2 LYS 78 HG2 LYS 78 8.927 34.666 38.593 310 HG3 LYS 78 HG3 LYS 78 10.593 34.689 38.019 311 HD2 LYS 78 HD2 LYS 78 10.315 36.978 37.201 312 HD3 LYS 78 HD3 LYS 78 8.615 36.962 37.673 313 HE2 LYS 78 HE2 LYS 78 9.210 36.739 40.014 314 HE3 LYS 78 HE3 LYS 78 10.916 36.565 39.604 315 HZ1 LYS 78 HZ1 LYS 78 10.766 38.810 38.572 316 HZ2 LYS 78 HZ2 LYS 78 10.559 38.799 40.258 317 HZ3 LYS 78 HZ3 LYS 78 9.212 38.963 39.236 318 H SER 79 H SER 79 10.470 32.321 35.063 319 HA SER 79 HA SER 79 12.555 31.744 36.865 320 HB2 SER 79 HB2 SER 79 10.956 30.072 35.915 321 HB3 SER 79 HB3 SER 79 11.812 30.187 34.381 322 HG SER 79 HG SER 79 12.429 28.628 36.249 323 H GLN 80 H GLN 80 12.605 32.381 33.376 324 HA GLN 80 HA GLN 80 15.452 31.964 33.184 325 HB2 GLN 80 HB2 GLN 80 13.442 33.059 31.215 326 HB3 GLN 80 HB3 GLN 80 15.135 32.734 30.840 327 HG2 GLN 80 HG2 GLN 80 14.846 30.377 31.416 328 HG3 GLN 80 HG3 GLN 80 13.177 30.674 31.893 329 HE21 GLN 80 HE21 GLN 80 13.832 28.794 29.835 330 HE22 GLN 80 HE22 GLN 80 13.244 29.393 28.360 331 H ASP 81 H ASP 81 13.788 34.551 34.466 332 HA ASP 81 HA ASP 81 14.343 36.738 34.895 333 HB2 ASP 81 HB2 ASP 81 16.456 35.583 35.635 334 HB3 ASP 81 HB3 ASP 81 17.128 35.923 34.042 335 H ILE 82 H ILE 82 13.243 36.218 32.400 336 HA ILE 82 HA ILE 82 14.665 38.109 30.619 337 HB ILE 82 HB ILE 82 12.676 35.948 29.866 338 HG12 ILE 82 HG12 ILE 82 15.671 36.067 29.390 339 HG13 ILE 82 HG13 ILE 82 14.911 35.105 30.658 340 HG21 ILE 82 HG21 ILE 82 12.678 37.910 28.358 341 HG22 ILE 82 HG22 ILE 82 13.363 36.494 27.562 342 HG23 ILE 82 HG23 ILE 82 14.426 37.761 28.173 343 HD11 ILE 82 HD11 ILE 82 15.182 33.588 28.859 344 HD12 ILE 82 HD12 ILE 82 14.664 34.781 27.668 345 HD13 ILE 82 HD13 ILE 82 13.488 34.071 28.773 346 H ASN 83 H ASN 83 13.440 39.730 29.601 347 HA ASN 83 HA ASN 83 11.158 40.610 31.157 348 HB2 ASN 83 HB2 ASN 83 12.498 41.859 28.747 349 HB3 ASN 83 HB3 ASN 83 11.288 42.634 29.769 350 HD21 ASN 83 HD21 ASN 83 12.156 41.882 32.338 351 HD22 ASN 83 HD22 ASN 83 13.698 42.532 32.623 352 H LEU 84 H LEU 84 9.055 40.636 30.546 353 HA LEU 84 HA LEU 84 8.103 38.842 28.624 354 HB2 LEU 84 HB2 LEU 84 6.702 41.280 29.751 355 HB3 LEU 84 HB3 LEU 84 5.917 39.924 28.942 356 HG LEU 84 HG LEU 84 7.574 39.692 31.472 357 HD11 LEU 84 HD11 LEU 84 4.628 40.015 30.959 358 HD12 LEU 84 HD12 LEU 84 5.630 40.777 32.195 359 HD13 LEU 84 HD13 LEU 84 5.175 39.080 32.351 360 HD21 LEU 84 HD21 LEU 84 5.909 37.741 29.860 361 HD22 LEU 84 HD22 LEU 84 6.406 37.426 31.523 362 HD23 LEU 84 HD23 LEU 84 7.622 37.619 30.260 363 H SER 85 H SER 85 8.796 42.306 28.366 364 HA SER 85 HA SER 85 7.581 42.783 25.878 365 HB2 SER 85 HB2 SER 85 8.511 44.538 27.414 366 HB3 SER 85 HB3 SER 85 10.126 44.049 26.915 367 HG SER 85 HG SER 85 9.740 45.354 25.329 368 H THR 86 H THR 86 10.831 41.616 26.699 369 HA THR 86 HA THR 86 11.879 41.604 24.080 370 HB THR 86 HB THR 86 12.586 39.726 26.347 371 HG1 THR 86 HG1 THR 86 13.809 42.132 25.735 372 HG21 THR 86 HG21 THR 86 14.798 39.713 25.225 373 HG22 THR 86 HG22 THR 86 14.136 40.719 23.937 374 HG23 THR 86 HG23 THR 86 13.529 39.081 24.176 375 H ILE 87 H ILE 87 10.186 39.092 25.939 376 HA ILE 87 HA ILE 87 10.477 36.989 24.105 377 HB ILE 87 HB ILE 87 8.133 37.503 25.959 378 HG12 ILE 87 HG12 ILE 87 10.661 35.891 26.432 379 HG13 ILE 87 HG13 ILE 87 10.401 37.519 27.060 380 HG21 ILE 87 HG21 ILE 87 7.748 35.751 24.236 381 HG22 ILE 87 HG22 ILE 87 7.837 35.071 25.861 382 HG23 ILE 87 HG23 ILE 87 9.215 34.929 24.770 383 HD11 ILE 87 HD11 ILE 87 8.769 35.045 27.689 384 HD12 ILE 87 HD12 ILE 87 8.314 36.675 28.186 385 HD13 ILE 87 HD13 ILE 87 9.799 35.948 28.800 386 H TRP 88 H TRP 88 7.941 39.453 24.402 387 HA TRP 88 HA TRP 88 6.274 38.541 22.340 388 HB2 TRP 88 HB2 TRP 88 5.667 40.285 23.989 389 HB3 TRP 88 HB3 TRP 88 6.763 41.396 23.188 390 HD1 TRP 88 HD1 TRP 88 3.447 39.559 22.689 391 HE1 TRP 88 HE1 TRP 88 2.114 40.755 20.837 392 HE3 TRP 88 HE3 TRP 88 6.951 42.922 21.114 393 HZ2 TRP 88 HZ2 TRP 88 2.485 42.863 18.933 394 HZ3 TRP 88 HZ3 TRP 88 6.437 44.508 19.284 395 HH2 TRP 88 HH2 TRP 88 4.213 44.485 18.191 396 H SER 89 H SER 89 8.952 40.902 22.211 397 HA SER 89 HA SER 89 8.642 41.703 19.570 398 HB2 SER 89 HB2 SER 89 10.944 42.439 19.665 399 HB3 SER 89 HB3 SER 89 10.195 42.727 21.231 400 HG SER 89 HG SER 89 11.947 40.701 20.486 401 H LEU 90 H LEU 90 10.380 38.882 20.847 402 HA LEU 90 HA LEU 90 11.446 38.092 18.318 403 HB2 LEU 90 HB2 LEU 90 10.987 36.462 20.827 404 HB3 LEU 90 HB3 LEU 90 11.998 35.987 19.462 405 HG LEU 90 HG LEU 90 12.426 38.502 21.100 406 HD11 LEU 90 HD11 LEU 90 14.048 37.369 22.350 407 HD12 LEU 90 HD12 LEU 90 14.210 36.081 21.157 408 HD13 LEU 90 HD13 LEU 90 12.788 36.145 22.197 409 HD21 LEU 90 HD21 LEU 90 14.701 38.324 19.948 410 HD22 LEU 90 HD22 LEU 90 13.349 38.764 18.904 411 HD23 LEU 90 HD23 LEU 90 13.969 37.112 18.896 412 H ASN 91 H ASN 91 8.712 36.829 20.249 413 HA ASN 91 HA ASN 91 8.016 35.007 18.094 414 HB2 ASN 91 HB2 ASN 91 6.840 35.433 20.839 415 HB3 ASN 91 HB3 ASN 91 6.277 34.214 19.696 416 HD21 ASN 91 HD21 ASN 91 9.422 35.320 21.111 417 HD22 ASN 91 HD22 ASN 91 10.049 33.749 21.272 418 H LYS 92 H LYS 92 7.335 38.196 18.418 419 HA LYS 92 HA LYS 92 4.626 38.513 18.143 420 HB2 LYS 92 HB2 LYS 92 5.091 40.579 16.987 421 HB3 LYS 92 HB3 LYS 92 6.295 40.345 18.249 422 HG2 LYS 92 HG2 LYS 92 7.854 39.417 16.524 423 HG3 LYS 92 HG3 LYS 92 6.660 39.809 15.286 424 HD2 LYS 92 HD2 LYS 92 6.728 42.203 16.159 425 HD3 LYS 92 HD3 LYS 92 8.146 41.726 17.093 426 HE2 LYS 92 HE2 LYS 92 7.942 41.300 14.105 427 HE3 LYS 92 HE3 LYS 92 8.635 42.758 14.816 428 HZ1 LYS 92 HZ1 LYS 92 9.558 40.051 15.572 429 HZ2 LYS 92 HZ2 LYS 92 10.337 41.540 15.824 430 HZ3 LYS 92 HZ3 LYS 92 10.225 40.892 14.258 431 H HIS 93 H HIS 93 6.843 37.193 15.753 432 HA HIS 93 HA HIS 93 4.968 37.383 13.587 433 HB2 HIS 93 HB2 HIS 93 6.552 36.229 12.283 434 HB3 HIS 93 HB3 HIS 93 7.458 37.294 13.331 435 HD1 HIS 93 HD1 HIS 93 8.794 36.102 15.334 436 HD2 HIS 93 HD2 HIS 93 7.136 33.523 12.506 437 HE1 HIS 93 HE1 HIS 93 9.940 33.872 15.641 438 H LEU 94 H LEU 94 5.795 34.912 15.966 439 HA LEU 94 HA LEU 94 4.409 32.770 14.717 440 HB2 LEU 94 HB2 LEU 94 5.026 33.185 17.651 441 HB3 LEU 94 HB3 LEU 94 4.567 31.660 16.896 442 HG LEU 94 HG LEU 94 7.024 33.276 16.161 443 HD11 LEU 94 HD11 LEU 94 7.052 30.599 17.529 444 HD12 LEU 94 HD12 LEU 94 6.855 32.067 18.486 445 HD13 LEU 94 HD13 LEU 94 8.300 31.845 17.499 446 HD21 LEU 94 HD21 LEU 94 5.958 30.571 15.305 447 HD22 LEU 94 HD22 LEU 94 7.625 31.076 15.027 448 HD23 LEU 94 HD23 LEU 94 6.298 31.964 14.278 449 H TYR 95 H TYR 95 3.437 35.168 17.143 450 HA TYR 95 HA TYR 95 0.659 34.152 16.960 451 HB2 TYR 95 HB2 TYR 95 1.998 35.751 19.142 452 HB3 TYR 95 HB3 TYR 95 0.314 35.262 19.133 453 HD1 TYR 95 HD2 TYR 95 -0.261 32.810 19.236 454 HD2 TYR 95 HD1 TYR 95 3.734 34.274 19.829 455 HE1 TYR 95 HE2 TYR 95 0.368 30.661 20.301 456 HE2 TYR 95 HE1 TYR 95 4.363 32.124 20.895 457 HH TYR 95 HH TYR 95 3.468 29.722 20.835 458 H SER 96 H SER 96 -1.045 35.615 16.751 459 HA SER 96 HA SER 96 -0.459 37.791 14.986 460 HB2 SER 96 HB2 SER 96 -3.084 37.035 16.285 461 HB3 SER 96 HB3 SER 96 -2.872 38.098 14.898 462 HG SER 96 HG SER 96 -2.396 36.386 13.722 463 H SER 97 H SER 97 -1.492 37.554 18.373 464 HA SER 97 HA SER 97 -0.790 40.358 18.769 465 HB2 SER 97 HB2 SER 97 -2.942 41.018 19.624 466 HB3 SER 97 HB3 SER 97 -3.180 40.340 18.017 467 HG SER 97 HG SER 97 -4.539 39.165 19.123 468 H GLU 98 H GLU 98 -1.138 40.990 21.107 469 HA GLU 98 HA GLU 98 0.281 39.236 22.789 470 HB2 GLU 98 HB2 GLU 98 -1.449 41.622 23.475 471 HB3 GLU 98 HB3 GLU 98 -0.338 40.827 24.592 472 HG2 GLU 98 HG2 GLU 98 1.530 41.290 23.020 473 HG3 GLU 98 HG3 GLU 98 0.412 42.152 21.972 474 H SER 99 H SER 99 -3.187 39.758 22.356 475 HA SER 99 HA SER 99 -4.129 38.586 24.711 476 HB2 SER 99 HB2 SER 99 -5.521 39.821 23.033 477 HB3 SER 99 HB3 SER 99 -5.430 38.408 21.986 478 HG SER 99 HG SER 99 -7.229 38.643 23.580 479 H GLU 100 H GLU 100 -3.306 37.081 21.600 480 HA GLU 100 HA GLU 100 -4.170 34.480 22.252 481 HB2 GLU 100 HB2 GLU 100 -2.049 35.428 20.318 482 HB3 GLU 100 HB3 GLU 100 -2.635 33.765 20.408 483 HG2 GLU 100 HG2 GLU 100 -4.948 34.584 20.019 484 HG3 GLU 100 HG3 GLU 100 -4.323 36.219 19.852 485 H MET 101 H MET 101 -1.123 36.153 22.905 486 HA MET 101 HA MET 101 0.349 33.868 23.724 487 HB2 MET 101 HB2 MET 101 0.625 36.782 24.493 488 HB3 MET 101 HB3 MET 101 1.797 35.528 24.898 489 HG2 MET 101 HG2 MET 101 2.001 35.018 22.446 490 HG3 MET 101 HG3 MET 101 0.974 36.414 22.119 491 HE1 MET 101 HE1 MET 101 3.879 35.786 24.805 492 HE2 MET 101 HE2 MET 101 5.231 36.326 23.813 493 HE3 MET 101 HE3 MET 101 4.234 34.976 23.274 494 H MET 102 H MET 102 -1.486 36.295 25.588 495 HA MET 102 HA MET 102 -0.947 35.219 28.128 496 HB2 MET 102 HB2 MET 102 -3.299 36.847 27.154 497 HB3 MET 102 HB3 MET 102 -2.971 36.496 28.852 498 HG2 MET 102 HG2 MET 102 -0.689 37.519 28.545 499 HG3 MET 102 HG3 MET 102 -1.192 38.024 26.933 500 HE1 MET 102 HE1 MET 102 -4.148 40.378 27.543 501 HE2 MET 102 HE2 MET 102 -4.355 38.629 27.504 502 HE3 MET 102 HE3 MET 102 -3.206 39.398 26.413 503 H LYS 103 H LYS 103 -3.471 34.455 25.785 504 HA LYS 103 HA LYS 103 -4.779 32.632 27.657 505 HB2 LYS 103 HB2 LYS 103 -5.466 33.366 24.806 506 HB3 LYS 103 HB3 LYS 103 -6.455 32.377 25.881 507 HG2 LYS 103 HG2 LYS 103 -6.459 34.323 27.504 508 HG3 LYS 103 HG3 LYS 103 -5.719 35.292 26.230 509 HD2 LYS 103 HD2 LYS 103 -8.352 33.815 25.953 510 HD3 LYS 103 HD3 LYS 103 -8.202 35.537 26.302 511 HE2 LYS 103 HE2 LYS 103 -6.678 35.540 24.152 512 HE3 LYS 103 HE3 LYS 103 -7.553 34.056 23.774 513 HZ1 LYS 103 HZ1 LYS 103 -8.472 36.788 23.767 514 HZ2 LYS 103 HZ2 LYS 103 -9.528 35.710 24.547 515 HZ3 LYS 103 HZ3 LYS 103 -9.073 35.439 22.933 516 H ALA 104 H ALA 104 -2.025 32.144 26.168 517 HA ALA 104 HA ALA 104 -2.281 30.073 24.343 518 HB1 ALA 104 HB1 ALA 104 -0.009 29.428 24.988 519 HB2 ALA 104 HB2 ALA 104 -0.141 30.391 26.460 520 HB3 ALA 104 HB3 ALA 104 -0.147 31.183 24.885 521 H ALA 105 H ALA 105 -2.367 27.859 24.471 522 HA ALA 105 HA ALA 105 -3.075 26.699 27.102 523 HB1 ALA 105 HB1 ALA 105 -4.884 25.569 26.204 524 HB2 ALA 105 HB2 ALA 105 -4.238 25.621 24.564 525 HB3 ALA 105 HB3 ALA 105 -4.944 27.070 25.280 526 HA PRO 106 HA PRO 106 -0.158 23.479 26.495 527 HB2 PRO 106 HB2 PRO 106 -2.220 21.339 26.436 528 HB3 PRO 106 HB3 PRO 106 -0.841 21.554 27.531 529 HG2 PRO 106 HG2 PRO 106 -3.339 22.006 28.326 530 HG3 PRO 106 HG3 PRO 106 -1.980 22.986 28.907 531 HD2 PRO 106 HD2 PRO 106 -4.067 23.687 26.880 532 HD3 PRO 106 HD3 PRO 106 -3.270 24.722 28.085 533 H GLY 107 H GLY 107 0.877 22.358 24.865 534 HA2 GLY 107 HA2 GLY 107 0.896 20.966 22.916 535 HA3 GLY 107 HA3 GLY 107 -0.675 21.611 22.474 536 H GLN 108 H GLN 108 0.611 24.402 23.230 537 HA GLN 108 HA GLN 108 1.483 24.909 20.493 538 HB2 GLN 108 HB2 GLN 108 0.938 26.765 22.815 539 HB3 GLN 108 HB3 GLN 108 1.465 27.304 21.219 540 HG2 GLN 108 HG2 GLN 108 -0.507 26.182 20.211 541 HG3 GLN 108 HG3 GLN 108 -1.050 25.724 21.824 542 HE21 GLN 108 HE21 GLN 108 -0.844 28.378 19.538 543 HE22 GLN 108 HE22 GLN 108 -1.676 29.509 20.492 544 H GLN 109 H GLN 109 3.434 26.130 20.033 545 HA GLN 109 HA GLN 109 5.624 25.383 21.888 546 HB2 GLN 109 HB2 GLN 109 5.625 25.670 18.875 547 HB3 GLN 109 HB3 GLN 109 7.056 25.350 19.857 548 HG2 GLN 109 HG2 GLN 109 6.067 23.273 20.682 549 HG3 GLN 109 HG3 GLN 109 4.583 23.599 19.791 550 HE21 GLN 109 HE21 GLN 109 6.109 21.220 19.333 551 HE22 GLN 109 HE22 GLN 109 6.759 21.297 17.767 552 H ILE 110 H ILE 110 7.273 26.810 22.264 553 HA ILE 110 HA ILE 110 6.979 29.565 21.228 554 HB ILE 110 HB ILE 110 7.944 28.689 23.967 555 HG12 ILE 110 HG12 ILE 110 5.486 30.292 23.214 556 HG13 ILE 110 HG13 ILE 110 5.454 28.553 23.498 557 HG21 ILE 110 HG21 ILE 110 7.857 31.192 24.395 558 HG22 ILE 110 HG22 ILE 110 7.695 31.407 22.651 559 HG23 ILE 110 HG23 ILE 110 9.149 30.662 23.317 560 HD11 ILE 110 HD11 ILE 110 4.859 30.035 25.499 561 HD12 ILE 110 HD12 ILE 110 6.561 30.490 25.541 562 HD13 ILE 110 HD13 ILE 110 6.092 28.807 25.777 563 H ILE 111 H ILE 111 8.851 30.548 20.494 564 HA ILE 111 HA ILE 111 11.227 28.790 20.322 565 HB ILE 111 HB ILE 111 10.485 31.144 18.564 566 HG12 ILE 111 HG12 ILE 111 10.361 28.172 17.961 567 HG13 ILE 111 HG13 ILE 111 8.953 29.158 18.357 568 HG21 ILE 111 HG21 ILE 111 12.915 30.681 18.730 569 HG22 ILE 111 HG22 ILE 111 12.294 30.284 17.128 570 HG23 ILE 111 HG23 ILE 111 12.618 28.999 18.292 571 HD11 ILE 111 HD11 ILE 111 9.795 30.697 16.421 572 HD12 ILE 111 HD12 ILE 111 8.953 29.203 16.013 573 HD13 ILE 111 HD13 ILE 111 10.712 29.277 15.919 574 H LEU 112 H LEU 112 13.046 29.378 21.285 575 HA LEU 112 HA LEU 112 13.316 32.149 22.294 576 HB2 LEU 112 HB2 LEU 112 14.413 29.562 23.413 577 HB3 LEU 112 HB3 LEU 112 14.751 31.170 24.056 578 HG LEU 112 HG LEU 112 11.932 30.134 23.719 579 HD11 LEU 112 HD11 LEU 112 12.106 29.774 26.255 580 HD12 LEU 112 HD12 LEU 112 13.855 29.830 26.032 581 HD13 LEU 112 HD13 LEU 112 12.904 28.576 25.235 582 HD21 LEU 112 HD21 LEU 112 12.070 32.528 23.965 583 HD22 LEU 112 HD22 LEU 112 13.236 32.381 25.279 584 HD23 LEU 112 HD23 LEU 112 11.564 31.879 25.525 585 HA PRO 113 HA PRO 113 16.941 31.591 19.513 586 HB2 PRO 113 HB2 PRO 113 17.071 34.108 18.524 587 HB3 PRO 113 HB3 PRO 113 15.944 32.897 17.877 588 HG2 PRO 113 HG2 PRO 113 15.425 35.176 19.702 589 HG3 PRO 113 HG3 PRO 113 14.414 34.503 18.412 590 HD2 PRO 113 HD2 PRO 113 14.068 33.986 21.123 591 HD3 PRO 113 HD3 PRO 113 13.439 32.975 19.805 592 H LEU 114 H LEU 114 18.420 31.359 21.198 593 HA LEU 114 HA LEU 114 19.031 33.248 23.168 594 HB2 LEU 114 HB2 LEU 114 19.709 30.851 23.208 595 HB3 LEU 114 HB3 LEU 114 20.916 31.206 21.971 596 HG LEU 114 HG LEU 114 21.854 32.967 23.536 597 HD11 LEU 114 HD11 LEU 114 19.853 31.631 25.369 598 HD12 LEU 114 HD12 LEU 114 20.022 33.351 25.019 599 HD13 LEU 114 HD13 LEU 114 21.246 32.522 25.982 600 HD21 LEU 114 HD21 LEU 114 22.900 30.748 23.283 601 HD22 LEU 114 HD22 LEU 114 21.814 30.091 24.508 602 HD23 LEU 114 HD23 LEU 114 23.017 31.301 24.954 603 H LYS 115 H LYS 115 20.324 32.851 19.898 604 HA LYS 115 HA LYS 115 22.406 34.815 20.293 605 HB2 LYS 115 HB2 LYS 115 21.358 33.465 17.795 606 HB3 LYS 115 HB3 LYS 115 22.764 34.530 17.844 607 HG2 LYS 115 HG2 LYS 115 23.807 33.016 19.531 608 HG3 LYS 115 HG3 LYS 115 22.436 31.920 19.351 609 HD2 LYS 115 HD2 LYS 115 22.948 31.746 16.912 610 HD3 LYS 115 HD3 LYS 115 24.385 32.735 17.177 611 HE2 LYS 115 HE2 LYS 115 23.812 30.062 18.490 612 HE3 LYS 115 HE3 LYS 115 24.973 30.347 17.193 613 HZ1 LYS 115 HZ1 LYS 115 26.438 30.761 18.790 614 HZ2 LYS 115 HZ2 LYS 115 25.242 30.800 19.996 615 HZ3 LYS 115 HZ3 LYS 115 25.597 32.201 19.102 616 H LYS 116 H LYS 116 22.444 36.913 19.633 617 HA LYS 116 HA LYS 116 19.870 38.069 18.734 618 HB2 LYS 116 HB2 LYS 116 22.141 39.431 20.204 619 HB3 LYS 116 HB3 LYS 116 20.582 40.143 19.792 620 HG2 LYS 116 HG2 LYS 116 20.959 37.733 21.594 621 HG3 LYS 116 HG3 LYS 116 20.677 39.378 22.160 622 HD2 LYS 116 HD2 LYS 116 18.538 39.392 20.831 623 HD3 LYS 116 HD3 LYS 116 18.799 37.680 20.495 624 HE2 LYS 116 HE2 LYS 116 18.477 37.052 22.718 625 HE3 LYS 116 HE3 LYS 116 18.879 38.655 23.333 626 HZ1 LYS 116 HZ1 LYS 116 16.814 39.465 22.256 627 HZ2 LYS 116 HZ2 LYS 116 16.541 38.354 23.511 628 HZ3 LYS 116 HZ3 LYS 116 16.412 37.858 21.892 629 H LEU 117 H LEU 117 19.912 39.733 17.173 630 HA LEU 117 HA LEU 117 22.387 39.864 15.547 631 HB2 LEU 117 HB2 LEU 117 20.327 38.544 14.634 632 HB3 LEU 117 HB3 LEU 117 19.648 40.147 14.349 633 HG LEU 117 HG LEU 117 21.846 40.708 13.162 634 HD11 LEU 117 HD11 LEU 117 22.120 37.729 13.559 635 HD12 LEU 117 HD12 LEU 117 23.313 38.992 13.864 636 HD13 LEU 117 HD13 LEU 117 22.904 38.545 12.207 637 HD21 LEU 117 HD21 LEU 117 21.124 39.543 11.077 638 HD22 LEU 117 HD22 LEU 117 19.772 40.291 11.927 639 HD23 LEU 117 HD23 LEU 117 20.030 38.550 12.039 640 HA PRO 118 HA PRO 118 21.449 44.139 17.157 641 HB2 PRO 118 HB2 PRO 118 24.130 44.461 15.865 642 HB3 PRO 118 HB3 PRO 118 23.532 45.118 17.401 643 HG2 PRO 118 HG2 PRO 118 25.180 43.035 17.335 644 HG3 PRO 118 HG3 PRO 118 23.883 43.159 18.537 645 HD2 PRO 118 HD2 PRO 118 24.069 41.381 16.163 646 HD3 PRO 118 HD3 PRO 118 23.189 41.144 17.688 647 H PHE 119 H PHE 119 22.736 43.130 14.011 648 HA PHE 119 HA PHE 119 21.414 45.445 12.734 649 HB2 PHE 119 HB2 PHE 119 22.825 44.932 10.795 650 HB3 PHE 119 HB3 PHE 119 23.776 45.243 12.234 651 HD1 PHE 119 HD2 PHE 119 24.879 43.348 13.433 652 HD2 PHE 119 HD1 PHE 119 22.858 42.818 9.681 653 HE1 PHE 119 HE2 PHE 119 26.029 41.173 13.121 654 HE2 PHE 119 HE1 PHE 119 24.008 40.643 9.368 655 HZ PHE 119 HZ PHE 119 25.594 39.820 11.088 656 H GLU 120 H GLU 120 19.594 45.131 11.655 657 HA GLU 120 HA GLU 120 18.302 42.623 11.536 658 HB2 GLU 120 HB2 GLU 120 17.156 44.841 11.556 659 HB3 GLU 120 HB3 GLU 120 17.682 45.081 9.889 660 HG2 GLU 120 HG2 GLU 120 16.526 42.969 9.253 661 HG3 GLU 120 HG3 GLU 120 15.938 42.820 10.903 662 H TYR 121 H TYR 121 20.294 44.352 9.197 663 HA TYR 121 HA TYR 121 19.532 43.015 6.862 664 HB2 TYR 121 HB2 TYR 121 20.987 45.019 6.951 665 HB3 TYR 121 HB3 TYR 121 22.283 44.025 7.590 666 HD1 TYR 121 HD1 TYR 121 20.177 44.716 4.626 667 HD2 TYR 121 HD2 TYR 121 23.584 42.594 6.156 668 HE1 TYR 121 HE1 TYR 121 20.872 44.163 2.310 669 HE2 TYR 121 HE2 TYR 121 24.279 42.041 3.840 670 HH TYR 121 HH TYR 121 23.874 42.514 1.658 671 H SER 122 H SER 122 20.039 41.098 5.953 672 HA SER 122 HA SER 122 22.044 39.383 7.273 673 HB2 SER 122 HB2 SER 122 19.779 38.750 8.087 674 HB3 SER 122 HB3 SER 122 19.286 38.471 6.421 675 HG SER 122 HG SER 122 20.945 36.923 6.349 676 H ALA 123 H ALA 123 23.117 37.958 5.908 677 HA ALA 123 HA ALA 123 22.371 37.954 3.066 678 HB1 ALA 123 HB1 ALA 123 24.394 38.776 2.289 679 HB2 ALA 123 HB2 ALA 123 25.252 38.362 3.773 680 HB3 ALA 123 HB3 ALA 123 24.170 39.754 3.740 681 H LEU 124 H LEU 124 23.240 36.200 1.878 682 HA LEU 124 HA LEU 124 24.450 34.043 3.506 683 HB2 LEU 124 HB2 LEU 124 22.076 33.959 1.668 684 HB3 LEU 124 HB3 LEU 124 23.071 32.521 1.898 685 HG LEU 124 HG LEU 124 22.051 34.078 4.267 686 HD11 LEU 124 HD11 LEU 124 20.595 32.070 2.554 687 HD12 LEU 124 HD12 LEU 124 20.004 33.599 3.203 688 HD13 LEU 124 HD13 LEU 124 20.235 32.217 4.274 689 HD21 LEU 124 HD21 LEU 124 23.688 32.482 4.879 690 HD22 LEU 124 HD22 LEU 124 23.087 31.296 3.720 691 HD23 LEU 124 HD23 LEU 124 22.159 31.653 5.177 692 HA PRO 125 HA PRO 125 27.221 35.107 -0.103 693 HB2 PRO 125 HB2 PRO 125 28.977 33.402 1.616 694 HB3 PRO 125 HB3 PRO 125 29.362 34.898 0.742 695 HG2 PRO 125 HG2 PRO 125 28.988 34.887 3.373 696 HG3 PRO 125 HG3 PRO 125 28.457 36.242 2.361 697 HD2 PRO 125 HD2 PRO 125 26.819 34.148 3.693 698 HD3 PRO 125 HD3 PRO 125 26.387 35.816 3.259 699 H LEU 126 H LEU 126 27.239 31.957 1.598 700 HA LEU 126 HA LEU 126 27.375 30.590 -1.006 701 HB2 LEU 126 HB2 LEU 126 29.022 29.986 0.771 702 HB3 LEU 126 HB3 LEU 126 27.680 29.431 1.773 703 HG LEU 126 HG LEU 126 27.021 27.902 -0.143 704 HD11 LEU 126 HD11 LEU 126 28.997 27.388 -1.691 705 HD12 LEU 126 HD12 LEU 126 29.685 28.919 -1.150 706 HD13 LEU 126 HD13 LEU 126 28.139 28.898 -1.999 707 HD21 LEU 126 HD21 LEU 126 28.497 26.196 0.568 708 HD22 LEU 126 HD22 LEU 126 28.460 27.313 1.933 709 HD23 LEU 126 HD23 LEU 126 29.825 27.330 0.817 710 H LEU 127 H LEU 127 25.671 29.557 -1.833 711 HA LEU 127 HA LEU 127 23.227 29.369 -0.198 712 HB2 LEU 127 HB2 LEU 127 23.147 30.578 -2.392 713 HB3 LEU 127 HB3 LEU 127 23.536 29.056 -3.193 714 HG LEU 127 HG LEU 127 21.496 28.105 -1.888 715 HD11 LEU 127 HD11 LEU 127 21.429 30.383 -0.573 716 HD12 LEU 127 HD12 LEU 127 19.918 29.603 -1.041 717 HD13 LEU 127 HD13 LEU 127 20.544 30.953 -1.987 718 HD21 LEU 127 HD21 LEU 127 21.542 28.416 -4.325 719 HD22 LEU 127 HD22 LEU 127 21.148 30.124 -4.127 720 HD23 LEU 127 HD23 LEU 127 19.969 28.890 -3.683 721 H GLY 128 H GLY 128 22.505 27.456 0.488 722 HA2 GLY 128 HA2 GLY 128 23.833 25.019 -0.496 723 HA3 GLY 128 HA3 GLY 128 22.953 25.169 1.022 724 H SER 129 H SER 129 22.800 23.756 -1.899 725 HA SER 129 HA SER 129 20.220 24.239 -2.879 726 HB2 SER 129 HB2 SER 129 21.759 21.635 -2.955 727 HB3 SER 129 HB3 SER 129 20.426 22.092 -4.010 728 HG SER 129 HG SER 129 21.723 23.598 -4.893 729 H ALA 130 H ALA 130 21.328 22.115 -0.284 730 HA ALA 130 HA ALA 130 18.739 20.860 0.021 731 HB1 ALA 130 HB1 ALA 130 21.002 19.774 0.462 732 HB2 ALA 130 HB2 ALA 130 19.758 19.535 1.689 733 HB3 ALA 130 HB3 ALA 130 21.042 20.715 1.953 734 HA PRO 131 HA PRO 131 17.840 24.220 3.011 735 HB2 PRO 131 HB2 PRO 131 15.151 24.205 2.907 736 HB3 PRO 131 HB3 PRO 131 16.124 24.877 1.583 737 HG2 PRO 131 HG2 PRO 131 14.662 22.313 1.734 738 HG3 PRO 131 HG3 PRO 131 14.984 23.356 0.340 739 HD2 PRO 131 HD2 PRO 131 16.407 21.016 1.038 740 HD3 PRO 131 HD3 PRO 131 16.878 22.215 -0.183 741 H LEU 132 H LEU 132 18.257 23.599 5.070 742 HA LEU 132 HA LEU 132 17.495 21.182 6.265 743 HB2 LEU 132 HB2 LEU 132 19.318 22.677 7.072 744 HB3 LEU 132 HB3 LEU 132 18.092 23.796 7.668 745 HG LEU 132 HG LEU 132 17.140 21.867 9.017 746 HD11 LEU 132 HD11 LEU 132 18.062 19.969 7.894 747 HD12 LEU 132 HD12 LEU 132 18.874 20.040 9.458 748 HD13 LEU 132 HD13 LEU 132 19.701 20.611 8.008 749 HD21 LEU 132 HD21 LEU 132 19.903 22.992 9.469 750 HD22 LEU 132 HD22 LEU 132 19.157 21.915 10.650 751 HD23 LEU 132 HD23 LEU 132 18.389 23.451 10.248 752 H VAL 133 H VAL 133 15.893 24.334 6.218 753 HA VAL 133 HA VAL 133 13.982 23.850 8.224 754 HB VAL 133 HB VAL 133 13.716 25.581 5.751 755 HG11 VAL 133 HG11 VAL 133 12.214 25.478 8.377 756 HG12 VAL 133 HG12 VAL 133 11.552 25.340 6.748 757 HG13 VAL 133 HG13 VAL 133 12.182 26.886 7.315 758 HG21 VAL 133 HG21 VAL 133 15.717 26.129 7.074 759 HG22 VAL 133 HG22 VAL 133 14.738 26.208 8.539 760 HG23 VAL 133 HG23 VAL 133 14.497 27.391 7.252 761 H ALA 134 H ALA 134 13.959 23.137 4.752 762 HA ALA 134 HA ALA 134 11.291 21.926 5.011 763 HB1 ALA 134 HB1 ALA 134 11.735 21.695 2.411 764 HB2 ALA 134 HB2 ALA 134 12.929 22.953 2.732 765 HB3 ALA 134 HB3 ALA 134 11.230 23.233 3.110 766 H ALA 135 H ALA 135 10.881 19.792 4.324 767 HA ALA 135 HA ALA 135 13.240 18.060 3.945 768 HB1 ALA 135 HB1 ALA 135 12.590 16.548 5.615 769 HB2 ALA 135 HB2 ALA 135 10.958 17.211 5.711 770 HB3 ALA 135 HB3 ALA 135 12.319 18.120 6.367 771 H GLY 136 H GLY 136 12.861 16.175 2.763 772 HA2 GLY 136 HA2 GLY 136 10.329 16.170 1.233 773 HA3 GLY 136 HA3 GLY 136 11.869 15.557 0.641 774 H GLY 137 H GLY 137 10.452 14.970 3.830 775 HA2 GLY 137 HA2 GLY 137 11.011 12.246 3.907 776 HA3 GLY 137 HA3 GLY 137 9.770 13.035 4.873 777 H VAL 138 H VAL 138 8.183 13.917 2.601 778 HA VAL 138 HA VAL 138 7.010 11.307 1.845 779 HB VAL 138 HB VAL 138 5.680 14.028 1.958 780 HG11 VAL 138 HG11 VAL 138 3.619 12.805 1.618 781 HG12 VAL 138 HG12 VAL 138 4.467 11.261 1.701 782 HG13 VAL 138 HG13 VAL 138 4.738 12.344 0.336 783 HG21 VAL 138 HG21 VAL 138 5.450 11.662 3.848 784 HG22 VAL 138 HG22 VAL 138 4.583 13.192 3.983 785 HG23 VAL 138 HG23 VAL 138 6.333 13.148 4.199 786 H ALA 139 H ALA 139 6.814 10.774 -0.249 787 HA ALA 139 HA ALA 139 7.790 12.710 -2.249 788 HB1 ALA 139 HB1 ALA 139 8.741 10.275 -1.867 789 HB2 ALA 139 HB2 ALA 139 8.568 10.927 -3.497 790 HB3 ALA 139 HB3 ALA 139 7.358 9.814 -2.859 791 H GLY 140 H GLY 140 6.587 13.247 -4.032 792 HA2 GLY 140 HA2 GLY 140 3.733 12.560 -3.896 793 HA3 GLY 140 HA3 GLY 140 4.426 13.917 -4.774 794 H HIS 141 H HIS 141 5.725 10.649 -4.977 795 HA HIS 141 HA HIS 141 4.712 10.463 -7.759 796 HB2 HIS 141 HB2 HIS 141 7.331 9.481 -6.619 797 HB3 HIS 141 HB3 HIS 141 6.764 9.174 -8.249 798 HD1 HIS 141 HD1 HIS 141 6.281 11.511 -9.669 799 HD2 HIS 141 HD2 HIS 141 8.875 11.744 -6.413 800 HE1 HIS 141 HE1 HIS 141 7.623 13.635 -9.974 801 H THR 142 H THR 142 3.558 8.708 -8.246 802 HA THR 142 HA THR 142 2.721 6.862 -6.290 803 HB THR 142 HB THR 142 2.646 6.511 -9.296 804 HG1 THR 142 HG1 THR 142 1.562 8.307 -8.932 805 HG21 THR 142 HG21 THR 142 0.524 5.243 -8.633 806 HG22 THR 142 HG22 THR 142 1.135 5.291 -6.980 807 HG23 THR 142 HG23 THR 142 2.054 4.461 -8.235 808 H ASN 143 H ASN 143 5.240 6.675 -8.770 809 HA ASN 143 HA ASN 143 5.878 3.929 -7.997 810 HB2 ASN 143 HB2 ASN 143 7.418 3.963 -9.883 811 HB3 ASN 143 HB3 ASN 143 5.833 4.540 -10.388 812 HD21 ASN 143 HD21 ASN 143 8.196 5.221 -11.850 813 HD22 ASN 143 HD22 ASN 143 8.467 6.889 -11.681 814 H GLY 144 H GLY 144 8.197 3.369 -7.661 815 HA2 GLY 144 HA2 GLY 144 10.273 3.674 -6.679 816 HA3 GLY 144 HA3 GLY 144 9.986 5.409 -6.686 817 H SER 145 H SER 145 7.732 3.133 -5.225 818 HA SER 145 HA SER 145 7.698 4.497 -2.748 819 HB2 SER 145 HB2 SER 145 6.279 2.695 -1.978 820 HB3 SER 145 HB3 SER 145 5.843 3.090 -3.637 821 HG SER 145 HG SER 145 6.309 0.799 -2.946 822 H GLY 146 H GLY 146 9.566 1.731 -3.891 823 HA2 GLY 146 HA2 GLY 146 10.541 1.092 -1.229 824 HA3 GLY 146 HA3 GLY 146 11.002 0.299 -2.732 825 H SER 147 H SER 147 12.961 0.849 -0.944 826 HA SER 147 HA SER 147 14.540 2.833 -2.417 827 HB2 SER 147 HB2 SER 147 13.591 4.021 -0.451 828 HB3 SER 147 HB3 SER 147 14.335 2.823 0.603 829 HG SER 147 HG SER 147 15.884 4.264 0.441 830 H GLU 148 H GLU 148 16.537 2.110 -2.821 831 HA GLU 148 HA GLU 148 17.377 -0.484 -2.070 832 HB2 GLU 148 HB2 GLU 148 18.129 0.745 -4.113 833 HB3 GLU 148 HB3 GLU 148 19.110 1.782 -3.075 834 HG2 GLU 148 HG2 GLU 148 20.276 -0.241 -2.210 835 HG3 GLU 148 HG3 GLU 148 19.349 -1.228 -3.330 836 H ASN 149 H ASN 149 18.057 2.711 -0.729 837 HA ASN 149 HA ASN 149 20.248 2.137 0.881 838 HB2 ASN 149 HB2 ASN 149 17.927 4.002 1.408 839 HB3 ASN 149 HB3 ASN 149 19.434 4.000 2.321 840 HD21 ASN 149 HD21 ASN 149 18.500 6.255 0.727 841 HD22 ASN 149 HD22 ASN 149 19.625 6.486 -0.522 842 H LEU 150 H LEU 150 16.832 1.433 1.433 843 HA LEU 150 HA LEU 150 16.877 0.868 4.162 844 HB2 LEU 150 HB2 LEU 150 14.834 0.965 2.739 845 HB3 LEU 150 HB3 LEU 150 15.280 -0.596 2.050 846 HG LEU 150 HG LEU 150 15.313 -1.513 4.416 847 HD11 LEU 150 HD11 LEU 150 13.879 -0.120 6.016 848 HD12 LEU 150 HD12 LEU 150 14.145 1.232 4.915 849 HD13 LEU 150 HD13 LEU 150 15.515 0.473 5.726 850 HD21 LEU 150 HD21 LEU 150 12.723 -0.370 3.325 851 HD22 LEU 150 HD22 LEU 150 12.821 -1.629 4.556 852 HD23 LEU 150 HD23 LEU 150 13.422 -1.940 2.927 853 H TYR 151 H TYR 151 17.795 -1.169 1.416 854 HA TYR 151 HA TYR 151 18.672 -3.272 3.304 855 HB2 TYR 151 HB2 TYR 151 17.061 -3.956 1.557 856 HB3 TYR 151 HB3 TYR 151 18.193 -3.429 0.326 857 HD1 TYR 151 HD1 TYR 151 17.558 -5.919 2.988 858 HD2 TYR 151 HD2 TYR 151 20.096 -4.775 -0.283 859 HE1 TYR 151 HE1 TYR 151 18.626 -8.157 3.034 860 HE2 TYR 151 HE2 TYR 151 21.164 -7.012 -0.238 861 HH TYR 151 HH TYR 151 19.930 -9.578 1.653 862 H PHE 152 H PHE 152 20.780 -3.699 3.530 863 HA PHE 152 HA PHE 152 22.683 -2.210 1.839 864 HB2 PHE 152 HB2 PHE 152 22.772 -1.875 4.299 865 HB3 PHE 152 HB3 PHE 152 23.124 -3.582 4.493 866 HD1 PHE 152 HD1 PHE 152 24.407 -0.352 3.223 867 HD2 PHE 152 HD2 PHE 152 25.327 -4.461 4.070 868 HE1 PHE 152 HE1 PHE 152 26.823 0.131 2.940 869 HE2 PHE 152 HE2 PHE 152 27.743 -3.978 3.787 870 HZ PHE 152 HZ PHE 152 28.491 -1.682 3.223 871 H GLN 153 H GLN 153 24.047 -3.241 0.505 872 HA GLN 153 HA GLN 153 23.712 -6.010 -0.055 873 HB2 GLN 153 HB2 GLN 153 25.853 -4.052 -0.920 874 HB3 GLN 153 HB3 GLN 153 25.658 -5.677 -1.579 875 HG2 GLN 153 HG2 GLN 153 23.403 -5.133 -2.346 876 HG3 GLN 153 HG3 GLN 153 23.517 -3.532 -1.620 877 HE21 GLN 153 HE21 GLN 153 23.036 -3.875 -4.423 878 HE22 GLN 153 HE22 GLN 153 24.391 -3.301 -5.269 Start of MODEL 3 1 H1 MET 39 HT1 MET 39 51.498 35.109 15.722 2 H2 MET 39 HT2 MET 39 50.304 35.521 14.586 3 H3 MET 39 HT3 MET 39 50.652 33.889 14.902 4 HA MET 39 HA MET 39 48.623 34.434 16.005 5 HB2 MET 39 HB2 MET 39 51.003 34.274 17.877 6 HB3 MET 39 HB3 MET 39 49.330 34.011 18.372 7 HG2 MET 39 HG2 MET 39 49.156 32.180 16.690 8 HG3 MET 39 HG3 MET 39 50.862 32.406 16.304 9 HE1 MET 39 HE1 MET 39 51.179 30.069 16.597 10 HE2 MET 39 HE2 MET 39 49.714 29.476 17.377 11 HE3 MET 39 HE3 MET 39 51.285 29.170 18.116 12 H ASN 40 H ASN 40 47.472 35.779 17.497 13 HA ASN 40 HA ASN 40 47.796 38.525 17.132 14 HB2 ASN 40 HB2 ASN 40 46.375 37.038 19.350 15 HB3 ASN 40 HB3 ASN 40 46.203 38.763 19.032 16 HD21 ASN 40 HD21 ASN 40 44.012 36.853 18.847 17 HD22 ASN 40 HD22 ASN 40 43.507 36.824 17.227 18 H GLY 41 H GLY 41 49.014 36.426 19.706 19 HA2 GLY 41 HA2 GLY 41 49.879 38.467 21.466 20 HA3 GLY 41 HA3 GLY 41 50.487 36.815 21.432 21 H GLU 42 H GLU 42 51.191 40.057 20.778 22 HA GLU 42 HA GLU 42 53.129 39.831 18.737 23 HB2 GLU 42 HB2 GLU 42 52.885 41.833 20.992 24 HB3 GLU 42 HB3 GLU 42 53.960 42.007 19.603 25 HG2 GLU 42 HG2 GLU 42 51.989 41.850 18.094 26 HG3 GLU 42 HG3 GLU 42 50.940 41.771 19.503 27 H ASN 43 H ASN 43 53.318 39.347 22.225 28 HA ASN 43 HA ASN 43 56.065 39.486 22.622 29 HB2 ASN 43 HB2 ASN 43 54.041 37.655 23.922 30 HB3 ASN 43 HB3 ASN 43 55.677 37.919 24.518 31 HD21 ASN 43 HD21 ASN 43 53.267 38.615 26.005 32 HD22 ASN 43 HD22 ASN 43 53.267 40.301 26.198 33 H TYR 44 H TYR 44 54.135 36.841 21.287 34 HA TYR 44 HA TYR 44 56.387 35.012 21.243 35 HB2 TYR 44 HB2 TYR 44 53.966 34.345 21.536 36 HB3 TYR 44 HB3 TYR 44 53.723 34.753 19.849 37 HD1 TYR 44 HD1 TYR 44 55.849 32.621 22.075 38 HD2 TYR 44 HD2 TYR 44 54.045 33.118 18.209 39 HE1 TYR 44 HE1 TYR 44 56.576 30.336 21.442 40 HE2 TYR 44 HE2 TYR 44 54.774 30.835 17.575 41 HH TYR 44 HH TYR 44 56.823 28.941 19.640 42 H PHE 45 H PHE 45 57.987 35.457 19.865 43 HA PHE 45 HA PHE 45 57.657 37.104 17.564 44 HB2 PHE 45 HB2 PHE 45 59.962 35.388 18.476 45 HB3 PHE 45 HB3 PHE 45 60.036 36.505 17.127 46 HD1 PHE 45 HD2 PHE 45 59.868 38.959 17.525 47 HD2 PHE 45 HD1 PHE 45 60.050 36.131 20.754 48 HE1 PHE 45 HE2 PHE 45 60.446 40.789 19.096 49 HE2 PHE 45 HE1 PHE 45 60.628 37.961 22.324 50 HZ PHE 45 HZ PHE 45 60.827 40.290 21.495 51 H LYS 46 H LYS 46 58.073 33.606 18.011 52 HA LYS 46 HA LYS 46 58.491 33.010 15.269 53 HB2 LYS 46 HB2 LYS 46 59.082 31.493 17.160 54 HB3 LYS 46 HB3 LYS 46 57.361 31.189 17.406 55 HG2 LYS 46 HG2 LYS 46 57.197 30.383 15.056 56 HG3 LYS 46 HG3 LYS 46 58.938 30.607 14.881 57 HD2 LYS 46 HD2 LYS 46 59.274 29.045 16.816 58 HD3 LYS 46 HD3 LYS 46 57.538 28.733 16.809 59 HE2 LYS 46 HE2 LYS 46 57.736 28.016 14.412 60 HE3 LYS 46 HE3 LYS 46 59.486 28.176 14.557 61 HZ1 LYS 46 HZ1 LYS 46 57.702 26.178 15.700 62 HZ2 LYS 46 HZ2 LYS 46 58.999 26.682 16.673 63 HZ3 LYS 46 HZ3 LYS 46 59.293 26.017 15.138 64 H LEU 47 H LEU 47 57.116 32.823 13.622 65 HA LEU 47 HA LEU 47 54.220 32.972 14.186 66 HB2 LEU 47 HB2 LEU 47 55.226 34.775 12.781 67 HB3 LEU 47 HB3 LEU 47 55.680 33.548 11.597 68 HG LEU 47 HG LEU 47 53.237 32.872 11.515 69 HD11 LEU 47 HD11 LEU 47 51.747 34.902 12.246 70 HD12 LEU 47 HD12 LEU 47 53.102 35.283 13.308 71 HD13 LEU 47 HD13 LEU 47 52.268 33.738 13.464 72 HD21 LEU 47 HD21 LEU 47 54.183 35.616 10.671 73 HD22 LEU 47 HD22 LEU 47 52.590 35.008 10.223 74 HD23 LEU 47 HD23 LEU 47 54.040 34.160 9.686 75 H GLY 48 H GLY 48 52.942 31.293 13.706 76 HA2 GLY 48 HA2 GLY 48 54.007 29.151 11.953 77 HA3 GLY 48 HA3 GLY 48 53.183 28.793 13.467 78 H SER 49 H SER 49 51.106 30.654 13.356 79 HA SER 49 HA SER 49 49.549 29.680 11.026 80 HB2 SER 49 HB2 SER 49 48.832 28.704 13.197 81 HB3 SER 49 HB3 SER 49 48.538 30.330 13.805 82 HG SER 49 HG SER 49 47.013 30.539 12.184 83 H ASP 50 H ASP 50 48.371 31.126 9.880 84 HA ASP 50 HA ASP 50 47.997 33.838 10.901 85 HB2 ASP 50 HB2 ASP 50 48.955 34.889 8.921 86 HB3 ASP 50 HB3 ASP 50 50.171 33.916 9.742 87 H SER 51 H SER 51 47.436 31.479 8.328 88 HA SER 51 HA SER 51 45.410 32.827 6.938 89 HB2 SER 51 HB2 SER 51 46.548 30.745 6.166 90 HB3 SER 51 HB3 SER 51 45.641 29.843 7.375 91 HG SER 51 HG SER 51 44.838 30.358 5.041 92 H LYS 52 H LYS 52 45.271 30.858 9.871 93 HA LYS 52 HA LYS 52 42.507 30.470 10.030 94 HB2 LYS 52 HB2 LYS 52 44.201 29.398 11.513 95 HB3 LYS 52 HB3 LYS 52 44.400 30.942 12.343 96 HG2 LYS 52 HG2 LYS 52 41.971 30.929 12.890 97 HG3 LYS 52 HG3 LYS 52 41.833 29.340 12.137 98 HD2 LYS 52 HD2 LYS 52 43.572 28.495 13.735 99 HD3 LYS 52 HD3 LYS 52 43.523 30.060 14.548 100 HE2 LYS 52 HE2 LYS 52 42.053 28.543 15.738 101 HE3 LYS 52 HE3 LYS 52 41.059 29.733 14.898 102 HZ1 LYS 52 HZ1 LYS 52 40.889 26.998 14.685 103 HZ2 LYS 52 HZ2 LYS 52 41.618 27.499 13.235 104 HZ3 LYS 52 HZ3 LYS 52 40.117 28.142 13.699 105 H LEU 53 H LEU 53 44.493 33.219 11.058 106 HA LEU 53 HA LEU 53 42.483 34.663 12.402 107 HB2 LEU 53 HB2 LEU 53 44.863 35.736 10.870 108 HB3 LEU 53 HB3 LEU 53 43.929 36.614 12.081 109 HG LEU 53 HG LEU 53 45.437 34.035 12.607 110 HD11 LEU 53 HD11 LEU 53 46.105 36.920 13.267 111 HD12 LEU 53 HD12 LEU 53 46.995 35.865 12.168 112 HD13 LEU 53 HD13 LEU 53 46.974 35.521 13.898 113 HD21 LEU 53 HD21 LEU 53 43.834 35.942 14.322 114 HD22 LEU 53 HD22 LEU 53 45.044 34.865 15.019 115 HD23 LEU 53 HD23 LEU 53 43.651 34.194 14.170 116 H LEU 54 H LEU 54 43.311 34.456 8.981 117 HA LEU 54 HA LEU 54 41.939 36.712 8.044 118 HB2 LEU 54 HB2 LEU 54 42.337 34.058 6.641 119 HB3 LEU 54 HB3 LEU 54 41.945 35.592 5.866 120 HG LEU 54 HG LEU 54 44.441 35.083 7.511 121 HD11 LEU 54 HD11 LEU 54 44.088 35.322 4.507 122 HD12 LEU 54 HD12 LEU 54 44.406 33.819 5.373 123 HD13 LEU 54 HD13 LEU 54 45.618 35.100 5.357 124 HD21 LEU 54 HD21 LEU 54 43.886 37.415 7.584 125 HD22 LEU 54 HD22 LEU 54 43.437 37.429 5.879 126 HD23 LEU 54 HD23 LEU 54 45.128 37.251 6.344 127 H THR 55 H THR 55 40.752 33.480 8.842 128 HA THR 55 HA THR 55 38.013 34.360 8.114 129 HB THR 55 HB THR 55 37.473 32.015 7.732 130 HG1 THR 55 HG1 THR 55 40.145 31.570 8.366 131 HG21 THR 55 HG21 THR 55 38.445 33.381 5.880 132 HG22 THR 55 HG22 THR 55 38.789 31.659 5.718 133 HG23 THR 55 HG23 THR 55 40.039 32.758 6.302 134 H HIS 56 H HIS 56 36.284 33.549 9.441 135 HA HIS 56 HA HIS 56 37.096 32.780 12.181 136 HB2 HIS 56 HB2 HIS 56 35.014 34.818 11.388 137 HB3 HIS 56 HB3 HIS 56 35.244 34.211 13.015 138 HD1 HIS 56 HD1 HIS 56 36.711 36.514 10.467 139 HD2 HIS 56 HD2 HIS 56 37.586 35.216 14.330 140 HE1 HIS 56 HE1 HIS 56 38.514 38.058 11.350 141 H ASN 57 H ASN 57 35.869 31.225 13.132 142 HA ASN 57 HA ASN 57 33.635 30.117 11.533 143 HB2 ASN 57 HB2 ASN 57 35.499 28.766 13.496 144 HB3 ASN 57 HB3 ASN 57 34.136 27.984 12.700 145 HD21 ASN 57 HD21 ASN 57 36.944 27.207 12.362 146 HD22 ASN 57 HD22 ASN 57 37.326 27.447 10.726 147 H SER 58 H SER 58 31.668 30.335 12.366 148 HA SER 58 HA SER 58 31.290 30.179 15.265 149 HB2 SER 58 HB2 SER 58 31.558 32.598 14.746 150 HB3 SER 58 HB3 SER 58 30.208 32.480 13.622 151 HG SER 58 HG SER 58 30.225 32.481 16.341 152 H TYR 59 H TYR 59 29.254 29.444 15.869 153 HA TYR 59 HA TYR 59 27.371 28.788 13.680 154 HB2 TYR 59 HB2 TYR 59 28.694 26.796 14.351 155 HB3 TYR 59 HB3 TYR 59 28.110 26.991 15.993 156 HD1 TYR 59 HD1 TYR 59 27.155 26.148 12.520 157 HD2 TYR 59 HD2 TYR 59 25.886 26.309 16.621 158 HE1 TYR 59 HE1 TYR 59 25.156 24.794 11.955 159 HE2 TYR 59 HE2 TYR 59 23.887 24.954 16.055 160 HH TYR 59 HH TYR 59 22.712 24.557 13.191 161 H GLN 60 H GLN 60 25.252 29.112 14.121 162 HA GLN 60 HA GLN 60 24.551 30.039 16.850 163 HB2 GLN 60 HB2 GLN 60 23.439 30.915 14.175 164 HB3 GLN 60 HB3 GLN 60 22.817 31.430 15.743 165 HG2 GLN 60 HG2 GLN 60 24.976 32.426 16.311 166 HG3 GLN 60 HG3 GLN 60 25.666 31.847 14.798 167 HE21 GLN 60 HE21 GLN 60 25.625 34.635 15.451 168 HE22 GLN 60 HE22 GLN 60 24.577 35.419 14.371 169 H ASN 61 H ASN 61 22.553 29.407 17.696 170 HA ASN 61 HA ASN 61 20.927 27.524 16.155 171 HB2 ASN 61 HB2 ASN 61 20.967 25.867 17.995 172 HB3 ASN 61 HB3 ASN 61 22.545 26.073 17.242 173 HD21 ASN 61 HD21 ASN 61 23.442 25.234 19.346 174 HD22 ASN 61 HD22 ASN 61 23.606 26.304 20.653 175 H ARG 62 H ARG 62 18.948 26.872 17.446 176 HA ARG 62 HA ARG 62 18.082 29.049 19.259 177 HB2 ARG 62 HB2 ARG 62 16.466 27.751 17.048 178 HB3 ARG 62 HB3 ARG 62 15.850 28.928 18.210 179 HG2 ARG 62 HG2 ARG 62 17.520 30.575 17.412 180 HG3 ARG 62 HG3 ARG 62 18.091 29.404 16.223 181 HD2 ARG 62 HD2 ARG 62 16.550 30.848 15.083 182 HD3 ARG 62 HD3 ARG 62 15.729 29.309 15.323 183 HE ARG 62 HE ARG 62 14.930 30.653 17.493 184 HH11 ARG 62 HH11 ARG 62 15.057 31.696 14.144 185 HH12 ARG 62 HH12 ARG 62 13.745 32.812 14.337 186 HH21 ARG 62 HH21 ARG 62 13.250 32.111 17.682 187 HH22 ARG 62 HH22 ARG 62 12.736 33.041 16.315 188 H LEU 63 H LEU 63 16.596 28.444 20.882 189 HA LEU 63 HA LEU 63 16.555 25.535 21.425 190 HB2 LEU 63 HB2 LEU 63 17.686 27.011 23.095 191 HB3 LEU 63 HB3 LEU 63 16.143 27.822 23.364 192 HG LEU 63 HG LEU 63 15.162 25.533 23.888 193 HD11 LEU 63 HD11 LEU 63 16.677 23.977 23.011 194 HD12 LEU 63 HD12 LEU 63 17.078 23.955 24.729 195 HD13 LEU 63 HD13 LEU 63 18.082 24.867 23.600 196 HD21 LEU 63 HD21 LEU 63 15.650 27.062 25.694 197 HD22 LEU 63 HD22 LEU 63 17.372 26.698 25.605 198 HD23 LEU 63 HD23 LEU 63 16.240 25.472 26.176 199 H PHE 64 H PHE 64 14.669 24.488 21.362 200 HA PHE 64 HA PHE 64 12.191 26.044 21.121 201 HB2 PHE 64 HB2 PHE 64 12.774 23.115 20.670 202 HB3 PHE 64 HB3 PHE 64 11.198 23.857 20.475 203 HD1 PHE 64 HD1 PHE 64 10.831 25.545 18.662 204 HD2 PHE 64 HD2 PHE 64 14.478 23.302 19.008 205 HE1 PHE 64 HE1 PHE 64 11.413 26.129 16.323 206 HE2 PHE 64 HE2 PHE 64 15.059 23.886 16.669 207 HZ PHE 64 HZ PHE 64 13.526 25.300 15.327 208 H TYR 65 H TYR 65 10.740 26.184 22.733 209 HA TYR 65 HA TYR 65 10.870 24.192 24.929 210 HB2 TYR 65 HB2 TYR 65 11.616 26.552 25.511 211 HB3 TYR 65 HB3 TYR 65 9.967 27.058 25.195 212 HD1 TYR 65 HD2 TYR 65 12.137 25.009 27.379 213 HD2 TYR 65 HD1 TYR 65 8.202 26.622 26.780 214 HE1 TYR 65 HE2 TYR 65 11.530 24.388 29.702 215 HE2 TYR 65 HE1 TYR 65 7.593 26.001 29.103 216 HH TYR 65 HH TYR 65 8.353 25.097 31.012 217 H THR 66 H THR 66 8.897 23.384 25.662 218 HA THR 66 HA THR 66 6.600 23.970 23.881 219 HB THR 66 HB THR 66 7.143 21.443 25.454 220 HG1 THR 66 HG1 THR 66 8.361 20.985 23.848 221 HG21 THR 66 HG21 THR 66 5.407 20.535 23.899 222 HG22 THR 66 HG22 THR 66 5.152 22.170 23.288 223 HG23 THR 66 HG23 THR 66 4.783 21.791 24.970 224 H LEU 67 H LEU 67 4.620 24.384 24.720 225 HA LEU 67 HA LEU 67 4.465 25.122 27.522 226 HB2 LEU 67 HB2 LEU 67 2.496 25.281 25.230 227 HB3 LEU 67 HB3 LEU 67 2.150 25.863 26.856 228 HG LEU 67 HG LEU 67 4.513 26.798 25.203 229 HD11 LEU 67 HD11 LEU 67 2.704 27.668 24.003 230 HD12 LEU 67 HD12 LEU 67 2.999 28.946 25.180 231 HD13 LEU 67 HD13 LEU 67 1.686 27.796 25.437 232 HD21 LEU 67 HD21 LEU 67 5.017 27.269 27.441 233 HD22 LEU 67 HD22 LEU 67 3.325 27.504 27.875 234 HD23 LEU 67 HD23 LEU 67 4.177 28.741 26.952 235 H LYS 68 H LYS 68 3.756 23.823 29.080 236 HA LYS 68 HA LYS 68 2.061 21.500 28.354 237 HB2 LYS 68 HB2 LYS 68 4.186 21.718 30.499 238 HB3 LYS 68 HB3 LYS 68 3.110 20.338 30.283 239 HG2 LYS 68 HG2 LYS 68 3.993 19.934 28.053 240 HG3 LYS 68 HG3 LYS 68 4.987 21.388 28.147 241 HD2 LYS 68 HD2 LYS 68 6.407 19.503 28.654 242 HD3 LYS 68 HD3 LYS 68 6.127 20.380 30.159 243 HE2 LYS 68 HE2 LYS 68 4.566 18.775 30.937 244 HE3 LYS 68 HE3 LYS 68 4.378 18.061 29.335 245 HZ1 LYS 68 HZ1 LYS 68 6.560 17.176 29.433 246 HZ2 LYS 68 HZ2 LYS 68 5.801 16.770 30.897 247 HZ3 LYS 68 HZ3 LYS 68 6.930 18.039 30.846 248 H THR 69 H THR 69 0.400 20.937 29.787 249 HA THR 69 HA THR 69 -1.031 23.028 30.940 250 HB THR 69 HB THR 69 -2.073 20.903 30.341 251 HG1 THR 69 HG1 THR 69 -3.153 21.971 31.897 252 HG21 THR 69 HG21 THR 69 -1.703 18.894 31.678 253 HG22 THR 69 HG22 THR 69 -0.569 19.763 32.713 254 HG23 THR 69 HG23 THR 69 -0.165 19.457 31.024 255 H GLY 70 H GLY 70 -1.103 23.978 32.894 256 HA2 GLY 70 HA2 GLY 70 -0.816 23.927 35.298 257 HA3 GLY 70 HA3 GLY 70 0.579 22.883 35.066 258 H GLU 71 H GLU 71 1.526 24.630 32.772 259 HA GLU 71 HA GLU 71 2.701 26.762 34.452 260 HB2 GLU 71 HB2 GLU 71 4.250 25.076 33.421 261 HB3 GLU 71 HB3 GLU 71 3.742 25.658 31.834 262 HG2 GLU 71 HG2 GLU 71 4.454 27.954 32.487 263 HG3 GLU 71 HG3 GLU 71 5.045 27.312 34.014 264 H THR 72 H THR 72 2.708 28.874 33.756 265 HA THR 72 HA THR 72 1.034 29.484 31.385 266 HB THR 72 HB THR 72 0.455 31.582 32.483 267 HG1 THR 72 HG1 THR 72 1.508 32.193 34.177 268 HG21 THR 72 HG21 THR 72 0.099 29.465 34.593 269 HG22 THR 72 HG22 THR 72 -0.699 29.311 33.028 270 HG23 THR 72 HG23 THR 72 -1.043 30.700 34.060 271 H VAL 73 H VAL 73 1.609 31.503 30.253 272 HA VAL 73 HA VAL 73 4.277 31.475 29.402 273 HB VAL 73 HB VAL 73 2.281 33.746 29.190 274 HG11 VAL 73 HG11 VAL 73 3.594 34.428 27.241 275 HG12 VAL 73 HG12 VAL 73 4.694 33.071 27.480 276 HG13 VAL 73 HG13 VAL 73 4.633 34.375 28.664 277 HG21 VAL 73 HG21 VAL 73 1.874 32.718 26.918 278 HG22 VAL 73 HG22 VAL 73 1.320 31.729 28.268 279 HG23 VAL 73 HG23 VAL 73 2.826 31.330 27.443 280 H ALA 74 H ALA 74 2.633 33.621 31.718 281 HA ALA 74 HA ALA 74 4.790 35.384 32.135 282 HB1 ALA 74 HB1 ALA 74 2.244 35.409 32.935 283 HB2 ALA 74 HB2 ALA 74 3.494 36.331 33.770 284 HB3 ALA 74 HB3 ALA 74 2.967 34.774 34.412 285 H ASP 75 H ASP 75 3.921 32.330 33.729 286 HA ASP 75 HA ASP 75 5.780 32.497 35.845 287 HB2 ASP 75 HB2 ASP 75 4.603 30.080 34.458 288 HB3 ASP 75 HB3 ASP 75 5.525 30.018 35.958 289 H LEU 76 H LEU 76 6.033 31.032 32.615 290 HA LEU 76 HA LEU 76 8.603 29.937 32.908 291 HB2 LEU 76 HB2 LEU 76 7.039 29.449 31.026 292 HB3 LEU 76 HB3 LEU 76 7.368 31.055 30.379 293 HG LEU 76 HG LEU 76 9.860 30.367 30.446 294 HD11 LEU 76 HD11 LEU 76 9.518 28.362 31.867 295 HD12 LEU 76 HD12 LEU 76 10.265 27.948 30.324 296 HD13 LEU 76 HD13 LEU 76 8.549 27.635 30.586 297 HD21 LEU 76 HD21 LEU 76 9.641 29.194 28.267 298 HD22 LEU 76 HD22 LEU 76 8.581 30.600 28.364 299 HD23 LEU 76 HD23 LEU 76 7.917 28.980 28.573 300 H SER 77 H SER 77 7.554 33.136 31.795 301 HA SER 77 HA SER 77 10.069 34.111 31.005 302 HB2 SER 77 HB2 SER 77 7.810 35.156 30.545 303 HB3 SER 77 HB3 SER 77 7.833 35.754 32.201 304 HG SER 77 HG SER 77 8.922 37.295 31.278 305 H LYS 78 H LYS 78 8.430 34.216 34.149 306 HA LYS 78 HA LYS 78 10.281 35.887 35.455 307 HB2 LYS 78 HB2 LYS 78 8.013 35.307 36.314 308 HB3 LYS 78 HB3 LYS 78 8.602 33.686 36.680 309 HG2 LYS 78 HG2 LYS 78 8.795 34.888 38.721 310 HG3 LYS 78 HG3 LYS 78 10.432 34.838 38.069 311 HD2 LYS 78 HD2 LYS 78 10.176 37.096 37.164 312 HD3 LYS 78 HD3 LYS 78 8.500 37.148 37.711 313 HE2 LYS 78 HE2 LYS 78 9.114 37.224 39.981 314 HE3 LYS 78 HE3 LYS 78 10.736 36.615 39.658 315 HZ1 LYS 78 HZ1 LYS 78 10.352 39.132 40.090 316 HZ2 LYS 78 HZ2 LYS 78 9.888 39.157 38.455 317 HZ3 LYS 78 HZ3 LYS 78 11.446 38.637 38.890 318 H SER 79 H SER 79 10.098 32.346 35.230 319 HA SER 79 HA SER 79 12.250 31.779 36.956 320 HB2 SER 79 HB2 SER 79 10.560 30.119 36.161 321 HB3 SER 79 HB3 SER 79 11.337 30.144 34.581 322 HG SER 79 HG SER 79 12.172 29.043 36.925 323 H GLN 80 H GLN 80 12.149 32.242 33.440 324 HA GLN 80 HA GLN 80 14.963 31.730 33.121 325 HB2 GLN 80 HB2 GLN 80 12.894 32.837 31.222 326 HB3 GLN 80 HB3 GLN 80 14.553 32.438 30.772 327 HG2 GLN 80 HG2 GLN 80 14.209 30.112 31.442 328 HG3 GLN 80 HG3 GLN 80 12.578 30.488 31.992 329 HE21 GLN 80 HE21 GLN 80 13.057 28.519 29.970 330 HE22 GLN 80 HE22 GLN 80 12.418 29.093 28.505 331 H ASP 81 H ASP 81 13.435 34.430 34.368 332 HA ASP 81 HA ASP 81 14.093 36.601 34.707 333 HB2 ASP 81 HB2 ASP 81 16.186 35.417 35.415 334 HB3 ASP 81 HB3 ASP 81 16.804 35.628 33.777 335 H ILE 82 H ILE 82 12.875 36.033 32.266 336 HA ILE 82 HA ILE 82 14.270 37.862 30.397 337 HB ILE 82 HB ILE 82 12.238 35.708 29.745 338 HG12 ILE 82 HG12 ILE 82 15.218 35.787 29.179 339 HG13 ILE 82 HG13 ILE 82 14.487 34.855 30.486 340 HG21 ILE 82 HG21 ILE 82 13.955 37.471 27.966 341 HG22 ILE 82 HG22 ILE 82 12.216 37.647 28.204 342 HG23 ILE 82 HG23 ILE 82 12.857 36.206 27.412 343 HD11 ILE 82 HD11 ILE 82 14.740 33.339 28.650 344 HD12 ILE 82 HD12 ILE 82 14.068 34.504 27.511 345 HD13 ILE 82 HD13 ILE 82 13.026 33.749 28.717 346 H ASN 83 H ASN 83 13.043 39.491 29.408 347 HA ASN 83 HA ASN 83 10.762 40.371 30.979 348 HB2 ASN 83 HB2 ASN 83 12.143 41.644 28.604 349 HB3 ASN 83 HB3 ASN 83 10.907 42.409 29.601 350 HD21 ASN 83 HD21 ASN 83 11.714 41.641 32.185 351 HD22 ASN 83 HD22 ASN 83 13.246 42.295 32.512 352 H LEU 84 H LEU 84 8.663 40.383 30.350 353 HA LEU 84 HA LEU 84 7.748 38.606 28.394 354 HB2 LEU 84 HB2 LEU 84 6.310 41.011 29.544 355 HB3 LEU 84 HB3 LEU 84 5.548 39.659 28.711 356 HG LEU 84 HG LEU 84 7.194 39.403 31.246 357 HD11 LEU 84 HD11 LEU 84 4.246 39.713 30.729 358 HD12 LEU 84 HD12 LEU 84 5.239 40.467 31.976 359 HD13 LEU 84 HD13 LEU 84 4.798 38.764 32.110 360 HD21 LEU 84 HD21 LEU 84 6.037 37.130 31.256 361 HD22 LEU 84 HD22 LEU 84 7.256 37.349 29.999 362 HD23 LEU 84 HD23 LEU 84 5.544 37.469 29.597 363 H SER 85 H SER 85 8.384 42.085 28.196 364 HA SER 85 HA SER 85 7.203 42.566 25.689 365 HB2 SER 85 HB2 SER 85 8.051 44.324 27.266 366 HB3 SER 85 HB3 SER 85 9.690 43.886 26.799 367 HG SER 85 HG SER 85 7.719 45.132 25.346 368 H THR 86 H THR 86 10.472 41.486 26.563 369 HA THR 86 HA THR 86 11.569 41.535 23.964 370 HB THR 86 HB THR 86 12.289 39.655 26.224 371 HG1 THR 86 HG1 THR 86 13.589 41.301 26.857 372 HG21 THR 86 HG21 THR 86 14.516 39.703 25.151 373 HG22 THR 86 HG22 THR 86 13.868 40.729 23.869 374 HG23 THR 86 HG23 THR 86 13.287 39.074 24.053 375 H ILE 87 H ILE 87 9.900 38.964 25.756 376 HA ILE 87 HA ILE 87 10.299 36.879 23.923 377 HB ILE 87 HB ILE 87 7.904 37.338 25.725 378 HG12 ILE 87 HG12 ILE 87 10.445 35.761 26.239 379 HG13 ILE 87 HG13 ILE 87 10.151 37.384 26.865 380 HG21 ILE 87 HG21 ILE 87 7.637 34.907 25.606 381 HG22 ILE 87 HG22 ILE 87 9.048 34.781 24.555 382 HG23 ILE 87 HG23 ILE 87 7.588 35.586 23.979 383 HD11 ILE 87 HD11 ILE 87 8.577 34.869 27.473 384 HD12 ILE 87 HD12 ILE 87 8.030 36.485 27.921 385 HD13 ILE 87 HD13 ILE 87 9.524 35.840 28.601 386 H TRP 88 H TRP 88 7.670 39.252 24.170 387 HA TRP 88 HA TRP 88 6.119 38.321 22.026 388 HB2 TRP 88 HB2 TRP 88 5.344 39.987 23.660 389 HB3 TRP 88 HB3 TRP 88 6.464 41.160 22.992 390 HD1 TRP 88 HD1 TRP 88 3.592 38.924 21.659 391 HE1 TRP 88 HE1 TRP 88 2.233 40.307 19.962 392 HE3 TRP 88 HE3 TRP 88 6.274 43.270 21.715 393 HZ2 TRP 88 HZ2 TRP 88 2.276 42.917 18.782 394 HZ3 TRP 88 HZ3 TRP 88 5.595 45.183 20.299 395 HH2 TRP 88 HH2 TRP 88 3.603 45.016 18.834 396 H SER 89 H SER 89 8.734 40.754 22.049 397 HA SER 89 HA SER 89 8.485 41.632 19.429 398 HB2 SER 89 HB2 SER 89 10.760 42.418 19.612 399 HB3 SER 89 HB3 SER 89 9.975 42.620 21.174 400 HG SER 89 HG SER 89 12.105 41.208 20.593 401 H LEU 90 H LEU 90 10.279 38.817 20.656 402 HA LEU 90 HA LEU 90 11.381 38.127 18.111 403 HB2 LEU 90 HB2 LEU 90 10.967 36.422 20.578 404 HB3 LEU 90 HB3 LEU 90 11.984 36.004 19.199 405 HG LEU 90 HG LEU 90 12.362 38.482 20.902 406 HD11 LEU 90 HD11 LEU 90 12.783 36.115 21.939 407 HD12 LEU 90 HD12 LEU 90 14.033 37.350 22.098 408 HD13 LEU 90 HD13 LEU 90 14.188 36.089 20.874 409 HD21 LEU 90 HD21 LEU 90 13.928 37.193 18.653 410 HD22 LEU 90 HD22 LEU 90 14.635 38.391 19.735 411 HD23 LEU 90 HD23 LEU 90 13.269 38.828 18.709 412 H ASN 91 H ASN 91 8.683 36.729 19.999 413 HA ASN 91 HA ASN 91 8.031 34.958 17.790 414 HB2 ASN 91 HB2 ASN 91 6.803 35.291 20.527 415 HB3 ASN 91 HB3 ASN 91 6.313 34.073 19.349 416 HD21 ASN 91 HD21 ASN 91 9.374 35.266 20.872 417 HD22 ASN 91 HD22 ASN 91 10.058 33.718 21.015 418 H LYS 92 H LYS 92 7.309 38.122 18.162 419 HA LYS 92 HA LYS 92 4.598 38.420 17.896 420 HB2 LYS 92 HB2 LYS 92 5.045 40.503 16.765 421 HB3 LYS 92 HB3 LYS 92 6.255 40.262 18.022 422 HG2 LYS 92 HG2 LYS 92 7.814 39.366 16.278 423 HG3 LYS 92 HG3 LYS 92 6.613 39.769 15.050 424 HD2 LYS 92 HD2 LYS 92 6.670 42.151 15.959 425 HD3 LYS 92 HD3 LYS 92 8.096 41.667 16.880 426 HE2 LYS 92 HE2 LYS 92 9.066 40.848 14.651 427 HE3 LYS 92 HE3 LYS 92 7.761 41.749 13.878 428 HZ1 LYS 92 HZ1 LYS 92 9.938 42.794 15.588 429 HZ2 LYS 92 HZ2 LYS 92 8.540 43.698 15.248 430 HZ3 LYS 92 HZ3 LYS 92 9.569 43.214 13.987 431 H HIS 93 H HIS 93 6.799 37.091 15.509 432 HA HIS 93 HA HIS 93 4.977 37.346 13.313 433 HB2 HIS 93 HB2 HIS 93 6.522 36.057 12.060 434 HB3 HIS 93 HB3 HIS 93 7.444 37.142 13.076 435 HD1 HIS 93 HD1 HIS 93 8.761 36.024 15.105 436 HD2 HIS 93 HD2 HIS 93 6.969 33.332 12.470 437 HE1 HIS 93 HE1 HIS 93 9.827 33.778 15.544 438 H LEU 94 H LEU 94 5.629 34.837 15.712 439 HA LEU 94 HA LEU 94 4.075 32.815 14.414 440 HB2 LEU 94 HB2 LEU 94 4.875 33.060 17.324 441 HB3 LEU 94 HB3 LEU 94 4.261 31.605 16.539 442 HG LEU 94 HG LEU 94 6.787 33.065 15.723 443 HD11 LEU 94 HD11 LEU 94 7.045 32.014 17.924 444 HD12 LEU 94 HD12 LEU 94 7.941 31.098 16.713 445 HD13 LEU 94 HD13 LEU 94 6.386 30.503 17.297 446 HD21 LEU 94 HD21 LEU 94 5.473 30.485 14.834 447 HD22 LEU 94 HD22 LEU 94 7.158 30.866 14.486 448 HD23 LEU 94 HD23 LEU 94 5.871 31.885 13.840 449 H TYR 95 H TYR 95 3.400 35.161 16.988 450 HA TYR 95 HA TYR 95 0.557 34.326 16.937 451 HB2 TYR 95 HB2 TYR 95 2.127 35.719 19.109 452 HB3 TYR 95 HB3 TYR 95 0.419 35.323 19.184 453 HD1 TYR 95 HD2 TYR 95 -0.290 32.905 19.195 454 HD2 TYR 95 HD1 TYR 95 3.812 34.112 19.601 455 HE1 TYR 95 HE2 TYR 95 0.279 30.668 20.102 456 HE2 TYR 95 HE1 TYR 95 4.381 31.874 20.509 457 HH TYR 95 HH TYR 95 3.478 29.631 20.544 458 H SER 96 H SER 96 -1.058 35.911 16.927 459 HA SER 96 HA SER 96 -0.462 38.103 15.201 460 HB2 SER 96 HB2 SER 96 -3.003 37.530 16.738 461 HB3 SER 96 HB3 SER 96 -2.836 38.613 15.361 462 HG SER 96 HG SER 96 -2.319 35.868 15.359 463 H SER 97 H SER 97 -1.230 37.850 18.661 464 HA SER 97 HA SER 97 -0.172 40.525 19.095 465 HB2 SER 97 HB2 SER 97 -2.175 41.443 20.063 466 HB3 SER 97 HB3 SER 97 -2.576 40.852 18.454 467 HG SER 97 HG SER 97 -3.958 40.212 20.273 468 H GLU 98 H GLU 98 -0.326 41.118 21.465 469 HA GLU 98 HA GLU 98 0.903 39.135 23.033 470 HB2 GLU 98 HB2 GLU 98 -0.479 41.695 23.863 471 HB3 GLU 98 HB3 GLU 98 0.546 40.720 24.916 472 HG2 GLU 98 HG2 GLU 98 2.418 40.995 23.305 473 HG3 GLU 98 HG3 GLU 98 1.396 42.032 22.320 474 H SER 99 H SER 99 -2.488 40.089 22.741 475 HA SER 99 HA SER 99 -3.499 38.968 25.090 476 HB2 SER 99 HB2 SER 99 -4.778 40.398 23.478 477 HB3 SER 99 HB3 SER 99 -4.880 39.011 22.400 478 HG SER 99 HG SER 99 -6.098 38.013 23.903 479 H GLU 100 H GLU 100 -2.970 37.460 21.912 480 HA GLU 100 HA GLU 100 -4.078 34.949 22.542 481 HB2 GLU 100 HB2 GLU 100 -1.933 35.715 20.555 482 HB3 GLU 100 HB3 GLU 100 -2.691 34.121 20.630 483 HG2 GLU 100 HG2 GLU 100 -4.914 35.191 20.337 484 HG3 GLU 100 HG3 GLU 100 -4.124 36.754 20.184 485 H MET 101 H MET 101 -0.840 36.269 23.081 486 HA MET 101 HA MET 101 0.407 33.836 23.826 487 HB2 MET 101 HB2 MET 101 1.019 36.688 24.634 488 HB3 MET 101 HB3 MET 101 2.076 35.309 24.939 489 HG2 MET 101 HG2 MET 101 2.083 34.851 22.467 490 HG3 MET 101 HG3 MET 101 1.197 36.358 22.236 491 HE1 MET 101 HE1 MET 101 5.012 35.884 24.526 492 HE2 MET 101 HE2 MET 101 5.184 35.098 22.960 493 HE3 MET 101 HE3 MET 101 3.845 34.657 24.017 494 H MET 102 H MET 102 -1.187 36.369 25.758 495 HA MET 102 HA MET 102 -0.676 35.275 28.289 496 HB2 MET 102 HB2 MET 102 -2.983 36.977 27.325 497 HB3 MET 102 HB3 MET 102 -2.648 36.626 29.021 498 HG2 MET 102 HG2 MET 102 -0.375 37.607 28.745 499 HG3 MET 102 HG3 MET 102 -0.791 38.038 27.085 500 HE1 MET 102 HE1 MET 102 -0.260 40.496 27.417 501 HE2 MET 102 HE2 MET 102 0.268 40.138 29.059 502 HE3 MET 102 HE3 MET 102 -0.825 41.488 28.767 503 H LYS 103 H LYS 103 -3.280 34.646 25.989 504 HA LYS 103 HA LYS 103 -4.613 32.829 27.846 505 HB2 LYS 103 HB2 LYS 103 -5.290 33.689 25.029 506 HB3 LYS 103 HB3 LYS 103 -6.286 32.622 26.021 507 HG2 LYS 103 HG2 LYS 103 -6.410 34.411 27.756 508 HG3 LYS 103 HG3 LYS 103 -5.518 35.482 26.675 509 HD2 LYS 103 HD2 LYS 103 -7.306 35.166 24.956 510 HD3 LYS 103 HD3 LYS 103 -8.220 34.219 26.132 511 HE2 LYS 103 HE2 LYS 103 -8.033 36.243 27.688 512 HE3 LYS 103 HE3 LYS 103 -7.479 37.146 26.278 513 HZ1 LYS 103 HZ1 LYS 103 -9.901 35.550 25.973 514 HZ2 LYS 103 HZ2 LYS 103 -9.502 37.060 25.304 515 HZ3 LYS 103 HZ3 LYS 103 -10.022 36.954 26.919 516 H ALA 104 H ALA 104 -1.896 32.283 26.302 517 HA ALA 104 HA ALA 104 -2.247 30.240 24.459 518 HB1 ALA 104 HB1 ALA 104 -0.069 31.200 24.815 519 HB2 ALA 104 HB2 ALA 104 0.032 29.479 25.191 520 HB3 ALA 104 HB3 ALA 104 -0.052 30.663 26.495 521 H ALA 105 H ALA 105 -2.283 28.007 24.584 522 HA ALA 105 HA ALA 105 -2.967 26.842 27.219 523 HB1 ALA 105 HB1 ALA 105 -4.801 25.739 26.361 524 HB2 ALA 105 HB2 ALA 105 -4.168 25.740 24.715 525 HB3 ALA 105 HB3 ALA 105 -4.854 27.214 25.397 526 HA PRO 106 HA PRO 106 -0.044 23.641 26.557 527 HB2 PRO 106 HB2 PRO 106 -2.095 21.489 26.529 528 HB3 PRO 106 HB3 PRO 106 -0.699 21.708 27.600 529 HG2 PRO 106 HG2 PRO 106 -3.184 22.147 28.440 530 HG3 PRO 106 HG3 PRO 106 -1.820 23.133 28.999 531 HD2 PRO 106 HD2 PRO 106 -3.946 23.826 27.009 532 HD3 PRO 106 HD3 PRO 106 -3.132 24.865 28.201 533 H GLY 107 H GLY 107 0.974 22.532 24.910 534 HA2 GLY 107 HA2 GLY 107 0.962 21.121 22.971 535 HA3 GLY 107 HA3 GLY 107 -0.611 21.770 22.545 536 H GLN 108 H GLN 108 0.752 24.550 23.294 537 HA GLN 108 HA GLN 108 1.536 25.054 20.532 538 HB2 GLN 108 HB2 GLN 108 1.100 26.905 22.880 539 HB3 GLN 108 HB3 GLN 108 1.596 27.447 21.275 540 HG2 GLN 108 HG2 GLN 108 -0.423 26.377 20.308 541 HG3 GLN 108 HG3 GLN 108 -0.934 25.909 21.929 542 HE21 GLN 108 HE21 GLN 108 -0.706 28.599 19.679 543 HE22 GLN 108 HE22 GLN 108 -1.506 29.727 20.662 544 H GLN 109 H GLN 109 3.494 26.157 19.966 545 HA GLN 109 HA GLN 109 5.735 25.403 21.748 546 HB2 GLN 109 HB2 GLN 109 5.629 25.709 18.740 547 HB3 GLN 109 HB3 GLN 109 7.091 25.365 19.666 548 HG2 GLN 109 HG2 GLN 109 6.107 23.295 20.513 549 HG3 GLN 109 HG3 GLN 109 4.594 23.646 19.682 550 HE21 GLN 109 HE21 GLN 109 6.078 21.252 19.155 551 HE22 GLN 109 HE22 GLN 109 6.666 21.331 17.564 552 H ILE 110 H ILE 110 7.388 26.813 22.118 553 HA ILE 110 HA ILE 110 7.119 29.573 21.093 554 HB ILE 110 HB ILE 110 8.028 28.698 23.851 555 HG12 ILE 110 HG12 ILE 110 5.568 30.263 23.016 556 HG13 ILE 110 HG13 ILE 110 5.560 28.541 23.402 557 HG21 ILE 110 HG21 ILE 110 7.677 31.462 22.648 558 HG22 ILE 110 HG22 ILE 110 9.216 30.696 23.050 559 HG23 ILE 110 HG23 ILE 110 8.083 31.122 24.332 560 HD11 ILE 110 HD11 ILE 110 6.399 29.028 25.662 561 HD12 ILE 110 HD12 ILE 110 4.898 29.902 25.357 562 HD13 ILE 110 HD13 ILE 110 6.442 30.750 25.284 563 H ILE 111 H ILE 111 8.981 30.469 20.274 564 HA ILE 111 HA ILE 111 11.391 28.748 20.309 565 HB ILE 111 HB ILE 111 10.688 30.949 18.351 566 HG12 ILE 111 HG12 ILE 111 10.602 27.939 17.968 567 HG13 ILE 111 HG13 ILE 111 9.173 28.937 18.246 568 HG21 ILE 111 HG21 ILE 111 12.806 28.778 18.245 569 HG22 ILE 111 HG22 ILE 111 13.124 30.453 18.698 570 HG23 ILE 111 HG23 ILE 111 12.563 30.070 17.069 571 HD11 ILE 111 HD11 ILE 111 11.098 29.125 15.914 572 HD12 ILE 111 HD12 ILE 111 9.823 30.301 16.233 573 HD13 ILE 111 HD13 ILE 111 9.406 28.629 15.858 574 H LEU 112 H LEU 112 13.199 29.457 21.223 575 HA LEU 112 HA LEU 112 13.380 32.299 22.036 576 HB2 LEU 112 HB2 LEU 112 14.550 29.839 23.352 577 HB3 LEU 112 HB3 LEU 112 14.812 31.502 23.882 578 HG LEU 112 HG LEU 112 12.046 30.318 23.590 579 HD11 LEU 112 HD11 LEU 112 12.116 30.010 26.063 580 HD12 LEU 112 HD12 LEU 112 13.832 30.417 26.041 581 HD13 LEU 112 HD13 LEU 112 13.260 28.962 25.224 582 HD21 LEU 112 HD21 LEU 112 11.961 32.689 23.670 583 HD22 LEU 112 HD22 LEU 112 13.247 32.776 24.873 584 HD23 LEU 112 HD23 LEU 112 11.650 32.184 25.330 585 HA PRO 113 HA PRO 113 16.917 31.574 19.159 586 HB2 PRO 113 HB2 PRO 113 17.146 34.127 18.232 587 HB3 PRO 113 HB3 PRO 113 15.998 32.954 17.558 588 HG2 PRO 113 HG2 PRO 113 15.520 35.188 19.454 589 HG3 PRO 113 HG3 PRO 113 14.510 34.595 18.123 590 HD2 PRO 113 HD2 PRO 113 14.039 33.994 20.763 591 HD3 PRO 113 HD3 PRO 113 13.532 32.961 19.411 592 H LEU 114 H LEU 114 18.693 31.316 20.407 593 HA LEU 114 HA LEU 114 19.581 33.534 22.132 594 HB2 LEU 114 HB2 LEU 114 19.303 31.261 23.132 595 HB3 LEU 114 HB3 LEU 114 20.564 30.672 22.048 596 HG LEU 114 HG LEU 114 22.064 32.498 23.004 597 HD11 LEU 114 HD11 LEU 114 21.333 33.207 25.346 598 HD12 LEU 114 HD12 LEU 114 19.721 32.643 24.912 599 HD13 LEU 114 HD13 LEU 114 20.464 33.964 24.011 600 HD21 LEU 114 HD21 LEU 114 22.414 30.216 23.687 601 HD22 LEU 114 HD22 LEU 114 21.003 30.256 24.745 602 HD23 LEU 114 HD23 LEU 114 22.438 31.198 25.153 603 H LYS 115 H LYS 115 21.283 34.740 21.577 604 HA LYS 115 HA LYS 115 22.975 33.842 19.324 605 HB2 LYS 115 HB2 LYS 115 22.465 36.607 20.447 606 HB3 LYS 115 HB3 LYS 115 23.575 36.247 19.124 607 HG2 LYS 115 HG2 LYS 115 21.678 35.248 17.850 608 HG3 LYS 115 HG3 LYS 115 20.586 35.740 19.147 609 HD2 LYS 115 HD2 LYS 115 21.318 38.105 18.808 610 HD3 LYS 115 HD3 LYS 115 22.283 37.574 17.430 611 HE2 LYS 115 HE2 LYS 115 19.321 37.005 17.632 612 HE3 LYS 115 HE3 LYS 115 19.949 38.476 16.888 613 HZ1 LYS 115 HZ1 LYS 115 21.426 36.789 15.598 614 HZ2 LYS 115 HZ2 LYS 115 19.830 37.085 15.097 615 HZ3 LYS 115 HZ3 LYS 115 20.196 35.691 15.997 616 H LYS 116 H LYS 116 24.964 33.177 19.781 617 HA LYS 116 HA LYS 116 26.080 33.185 22.368 618 HB2 LYS 116 HB2 LYS 116 27.521 32.902 19.723 619 HB3 LYS 116 HB3 LYS 116 28.125 32.395 21.298 620 HG2 LYS 116 HG2 LYS 116 25.610 31.323 19.987 621 HG3 LYS 116 HG3 LYS 116 27.169 30.499 19.998 622 HD2 LYS 116 HD2 LYS 116 27.106 30.583 22.519 623 HD3 LYS 116 HD3 LYS 116 25.453 31.189 22.398 624 HE2 LYS 116 HE2 LYS 116 25.090 28.896 22.606 625 HE3 LYS 116 HE3 LYS 116 25.091 29.098 20.854 626 HZ1 LYS 116 HZ1 LYS 116 26.716 27.439 22.313 627 HZ2 LYS 116 HZ2 LYS 116 27.725 28.731 21.865 628 HZ3 LYS 116 HZ3 LYS 116 26.896 27.846 20.676 629 H LEU 117 H LEU 117 26.422 35.435 19.671 630 HA LEU 117 HA LEU 117 28.184 37.120 21.359 631 HB2 LEU 117 HB2 LEU 117 29.089 36.070 19.153 632 HB3 LEU 117 HB3 LEU 117 28.109 37.305 18.363 633 HG LEU 117 HG LEU 117 29.951 38.073 20.610 634 HD11 LEU 117 HD11 LEU 117 31.654 38.590 18.802 635 HD12 LEU 117 HD12 LEU 117 30.689 37.595 17.711 636 HD13 LEU 117 HD13 LEU 117 31.430 36.874 19.140 637 HD21 LEU 117 HD21 LEU 117 28.589 39.392 18.274 638 HD22 LEU 117 HD22 LEU 117 30.029 40.128 18.979 639 HD23 LEU 117 HD23 LEU 117 28.593 39.872 19.971 640 HA PRO 118 HA PRO 118 24.178 39.421 20.759 641 HB2 PRO 118 HB2 PRO 118 25.171 40.745 23.232 642 HB3 PRO 118 HB3 PRO 118 23.557 40.110 22.858 643 HG2 PRO 118 HG2 PRO 118 25.195 38.856 24.538 644 HG3 PRO 118 HG3 PRO 118 24.113 37.968 23.449 645 HD2 PRO 118 HD2 PRO 118 27.067 38.392 23.225 646 HD3 PRO 118 HD3 PRO 118 26.091 36.977 22.770 647 H PHE 119 H PHE 119 24.578 40.796 19.091 648 HA PHE 119 HA PHE 119 26.706 42.819 19.391 649 HB2 PHE 119 HB2 PHE 119 26.324 41.182 17.336 650 HB3 PHE 119 HB3 PHE 119 25.187 42.426 16.855 651 HD1 PHE 119 HD2 PHE 119 26.017 44.775 16.475 652 HD2 PHE 119 HD1 PHE 119 28.672 41.471 17.138 653 HE1 PHE 119 HE2 PHE 119 27.894 46.103 15.548 654 HE2 PHE 119 HE1 PHE 119 30.553 42.796 16.211 655 HZ PHE 119 HZ PHE 119 30.164 45.111 15.415 656 H GLU 120 H GLU 120 26.194 44.880 19.770 657 HA GLU 120 HA GLU 120 23.572 45.608 20.489 658 HB2 GLU 120 HB2 GLU 120 25.662 46.652 21.366 659 HB3 GLU 120 HB3 GLU 120 25.857 47.468 19.814 660 HG2 GLU 120 HG2 GLU 120 23.610 48.499 20.109 661 HG3 GLU 120 HG3 GLU 120 23.499 47.748 21.695 662 H TYR 121 H TYR 121 25.377 46.095 17.494 663 HA TYR 121 HA TYR 121 23.089 47.601 16.375 664 HB2 TYR 121 HB2 TYR 121 25.932 47.391 15.382 665 HB3 TYR 121 HB3 TYR 121 24.665 48.376 14.678 666 HD1 TYR 121 HD2 TYR 121 23.720 50.306 16.010 667 HD2 TYR 121 HD1 TYR 121 27.217 48.132 17.232 668 HE1 TYR 121 HE2 TYR 121 24.350 52.168 17.523 669 HE2 TYR 121 HE1 TYR 121 27.847 49.993 18.744 670 HH TYR 121 HH TYR 121 27.075 52.764 18.637 671 H SER 122 H SER 122 22.081 46.948 14.519 672 HA SER 122 HA SER 122 22.865 44.302 13.433 673 HB2 SER 122 HB2 SER 122 20.522 43.998 12.832 674 HB3 SER 122 HB3 SER 122 20.652 44.356 14.551 675 HG SER 122 HG SER 122 19.335 45.898 14.030 676 H ALA 123 H ALA 123 23.166 44.087 11.273 677 HA ALA 123 HA ALA 123 23.669 46.444 9.738 678 HB1 ALA 123 HB1 ALA 123 25.078 44.636 9.243 679 HB2 ALA 123 HB2 ALA 123 23.972 44.688 7.870 680 HB3 ALA 123 HB3 ALA 123 23.735 43.496 9.148 681 H LEU 124 H LEU 124 21.016 44.128 9.884 682 HA LEU 124 HA LEU 124 19.625 45.636 7.742 683 HB2 LEU 124 HB2 LEU 124 19.588 42.682 8.371 684 HB3 LEU 124 HB3 LEU 124 18.435 43.463 7.288 685 HG LEU 124 HG LEU 124 21.400 43.829 6.896 686 HD11 LEU 124 HD11 LEU 124 21.310 41.941 5.282 687 HD12 LEU 124 HD12 LEU 124 19.668 41.582 5.817 688 HD13 LEU 124 HD13 LEU 124 21.018 41.405 6.937 689 HD21 LEU 124 HD21 LEU 124 18.927 44.005 5.153 690 HD22 LEU 124 HD22 LEU 124 20.567 44.081 4.510 691 HD23 LEU 124 HD23 LEU 124 19.999 45.322 5.627 692 HA PRO 125 HA PRO 125 17.007 46.011 11.540 693 HB2 PRO 125 HB2 PRO 125 15.898 48.429 10.838 694 HB3 PRO 125 HB3 PRO 125 17.402 48.263 11.763 695 HG2 PRO 125 HG2 PRO 125 17.017 48.828 8.872 696 HG3 PRO 125 HG3 PRO 125 18.209 49.490 10.008 697 HD2 PRO 125 HD2 PRO 125 18.839 47.541 8.218 698 HD3 PRO 125 HD3 PRO 125 19.626 47.671 9.807 699 H LEU 126 H LEU 126 15.380 44.585 11.244 700 HA LEU 126 HA LEU 126 13.917 44.193 8.886 701 HB2 LEU 126 HB2 LEU 126 13.068 43.584 11.727 702 HB3 LEU 126 HB3 LEU 126 12.380 42.875 10.267 703 HG LEU 126 HG LEU 126 15.289 42.633 11.092 704 HD11 LEU 126 HD11 LEU 126 13.980 41.351 12.642 705 HD12 LEU 126 HD12 LEU 126 14.603 40.208 11.451 706 HD13 LEU 126 HD13 LEU 126 12.930 40.755 11.357 707 HD21 LEU 126 HD21 LEU 126 13.637 41.493 8.826 708 HD22 LEU 126 HD22 LEU 126 15.175 40.785 9.322 709 HD23 LEU 126 HD23 LEU 126 15.120 42.440 8.714 710 H LEU 127 H LEU 127 13.293 46.308 11.647 711 HA LEU 127 HA LEU 127 10.622 46.947 11.165 712 HB2 LEU 127 HB2 LEU 127 11.928 47.625 13.176 713 HB3 LEU 127 HB3 LEU 127 12.766 48.822 12.190 714 HG LEU 127 HG LEU 127 10.487 49.773 11.596 715 HD11 LEU 127 HD11 LEU 127 9.720 47.726 13.676 716 HD12 LEU 127 HD12 LEU 127 8.980 48.028 12.104 717 HD13 LEU 127 HD13 LEU 127 8.745 49.174 13.423 718 HD21 LEU 127 HD21 LEU 127 11.264 49.747 14.531 719 HD22 LEU 127 HD22 LEU 127 10.266 50.969 13.742 720 HD23 LEU 127 HD23 LEU 127 11.965 50.797 13.299 721 H GLY 128 H GLY 128 13.568 48.264 9.706 722 HA2 GLY 128 HA2 GLY 128 12.323 50.404 8.315 723 HA3 GLY 128 HA3 GLY 128 13.892 49.701 7.934 724 H SER 129 H SER 129 11.705 50.573 6.146 725 HA SER 129 HA SER 129 11.431 48.054 4.629 726 HB2 SER 129 HB2 SER 129 9.146 48.609 4.031 727 HB3 SER 129 HB3 SER 129 9.285 48.580 5.786 728 HG SER 129 HG SER 129 8.839 50.666 4.103 729 H ALA 130 H ALA 130 11.156 48.367 2.335 730 HA ALA 130 HA ALA 130 12.028 51.020 1.355 731 HB1 ALA 130 HB1 ALA 130 13.113 48.293 0.666 732 HB2 ALA 130 HB2 ALA 130 13.996 49.719 1.209 733 HB3 ALA 130 HB3 ALA 130 13.308 49.673 -0.414 734 HA PRO 131 HA PRO 131 8.310 49.623 -0.997 735 HB2 PRO 131 HB2 PRO 131 6.965 51.981 -1.018 736 HB3 PRO 131 HB3 PRO 131 6.885 50.854 0.350 737 HG2 PRO 131 HG2 PRO 131 8.445 53.363 0.058 738 HG3 PRO 131 HG3 PRO 131 7.619 52.701 1.480 739 HD2 PRO 131 HD2 PRO 131 10.342 52.513 1.052 740 HD3 PRO 131 HD3 PRO 131 9.413 51.407 2.084 741 H LEU 132 H LEU 132 8.868 49.427 -3.097 742 HA LEU 132 HA LEU 132 10.106 51.700 -4.484 743 HB2 LEU 132 HB2 LEU 132 9.753 48.833 -5.392 744 HB3 LEU 132 HB3 LEU 132 10.690 50.077 -6.217 745 HG LEU 132 HG LEU 132 11.241 49.083 -3.404 746 HD11 LEU 132 HD11 LEU 132 13.190 47.970 -4.410 747 HD12 LEU 132 HD12 LEU 132 12.704 48.539 -6.007 748 HD13 LEU 132 HD13 LEU 132 11.701 47.374 -5.142 749 HD21 LEU 132 HD21 LEU 132 12.529 51.107 -5.233 750 HD22 LEU 132 HD22 LEU 132 13.477 50.288 -3.992 751 HD23 LEU 132 HD23 LEU 132 12.094 51.279 -3.533 752 H VAL 133 H VAL 133 9.113 52.824 -6.052 753 HA VAL 133 HA VAL 133 6.310 52.626 -6.435 754 HB VAL 133 HB VAL 133 8.372 54.061 -8.130 755 HG11 VAL 133 HG11 VAL 133 6.279 53.910 -9.327 756 HG12 VAL 133 HG12 VAL 133 6.393 55.539 -8.661 757 HG13 VAL 133 HG13 VAL 133 5.364 54.337 -7.881 758 HG21 VAL 133 HG21 VAL 133 7.866 56.005 -6.747 759 HG22 VAL 133 HG22 VAL 133 8.389 54.680 -5.707 760 HG23 VAL 133 HG23 VAL 133 6.676 55.081 -5.831 761 H ALA 134 H ALA 134 9.087 51.532 -8.347 762 HA ALA 134 HA ALA 134 7.712 50.766 -10.669 763 HB1 ALA 134 HB1 ALA 134 9.660 49.279 -11.076 764 HB2 ALA 134 HB2 ALA 134 10.217 49.601 -9.435 765 HB3 ALA 134 HB3 ALA 134 10.138 50.912 -10.611 766 H ALA 135 H ALA 135 8.234 49.046 -7.622 767 HA ALA 135 HA ALA 135 7.401 46.489 -8.443 768 HB1 ALA 135 HB1 ALA 135 6.891 47.657 -5.708 769 HB2 ALA 135 HB2 ALA 135 8.496 47.153 -6.235 770 HB3 ALA 135 HB3 ALA 135 7.190 45.973 -6.134 771 H GLY 136 H GLY 136 5.415 45.470 -8.460 772 HA2 GLY 136 HA2 GLY 136 2.992 46.513 -7.502 773 HA3 GLY 136 HA3 GLY 136 3.159 46.991 -9.188 774 H GLY 137 H GLY 137 2.292 45.640 -10.616 775 HA2 GLY 137 HA2 GLY 137 1.770 43.648 -11.686 776 HA3 GLY 137 HA3 GLY 137 2.611 42.779 -10.406 777 H VAL 138 H VAL 138 -0.042 45.092 -10.025 778 HA VAL 138 HA VAL 138 -1.673 42.922 -8.834 779 HB VAL 138 HB VAL 138 -1.821 45.903 -8.307 780 HG11 VAL 138 HG11 VAL 138 -3.142 43.535 -6.945 781 HG12 VAL 138 HG12 VAL 138 -3.955 44.700 -7.989 782 HG13 VAL 138 HG13 VAL 138 -3.286 45.219 -6.443 783 HG21 VAL 138 HG21 VAL 138 -0.711 43.668 -6.579 784 HG22 VAL 138 HG22 VAL 138 -0.799 45.376 -6.142 785 HG23 VAL 138 HG23 VAL 138 0.269 44.851 -7.445 786 H ALA 139 H ALA 139 -3.625 42.493 -9.677 787 HA ALA 139 HA ALA 139 -4.537 44.151 -11.947 788 HB1 ALA 139 HB1 ALA 139 -4.003 41.644 -12.218 789 HB2 ALA 139 HB2 ALA 139 -5.542 42.224 -12.854 790 HB3 ALA 139 HB3 ALA 139 -5.490 41.365 -11.314 791 H GLY 140 H GLY 140 -6.699 44.776 -12.101 792 HA2 GLY 140 HA2 GLY 140 -8.920 44.135 -10.749 793 HA3 GLY 140 HA3 GLY 140 -8.057 45.083 -9.543 794 H HIS 141 H HIS 141 -6.965 47.126 -10.841 795 HA HIS 141 HA HIS 141 -9.045 48.933 -11.266 796 HB2 HIS 141 HB2 HIS 141 -6.202 49.048 -12.277 797 HB3 HIS 141 HB3 HIS 141 -7.316 50.402 -12.256 798 HD1 HIS 141 HD1 HIS 141 -8.270 50.944 -9.697 799 HD2 HIS 141 HD2 HIS 141 -4.661 48.881 -10.011 800 HE1 HIS 141 HE1 HIS 141 -7.110 51.188 -7.460 801 H THR 142 H THR 142 -7.241 46.970 -13.596 802 HA THR 142 HA THR 142 -8.342 48.212 -15.913 803 HB THR 142 HB THR 142 -6.247 46.941 -16.002 804 HG1 THR 142 HG1 THR 142 -7.575 47.043 -17.837 805 HG21 THR 142 HG21 THR 142 -7.239 45.169 -14.335 806 HG22 THR 142 HG22 THR 142 -6.081 44.655 -15.562 807 HG23 THR 142 HG23 THR 142 -7.806 44.383 -15.808 808 H ASN 143 H ASN 143 -10.325 48.062 -16.683 809 HA ASN 143 HA ASN 143 -12.365 46.493 -15.574 810 HB2 ASN 143 HB2 ASN 143 -12.178 47.788 -18.299 811 HB3 ASN 143 HB3 ASN 143 -13.656 47.122 -17.607 812 HD21 ASN 143 HD21 ASN 143 -13.289 49.938 -18.279 813 HD22 ASN 143 HD22 ASN 143 -13.387 50.814 -16.828 814 H GLY 144 H GLY 144 -10.153 45.827 -18.236 815 HA2 GLY 144 HA2 GLY 144 -11.488 43.755 -19.524 816 HA3 GLY 144 HA3 GLY 144 -9.736 43.904 -19.428 817 H SER 145 H SER 145 -9.530 43.669 -16.571 818 HA SER 145 HA SER 145 -9.349 40.867 -16.318 819 HB2 SER 145 HB2 SER 145 -8.816 41.292 -13.975 820 HB3 SER 145 HB3 SER 145 -7.989 42.454 -15.006 821 HG SER 145 HG SER 145 -10.397 42.871 -13.650 822 H GLY 146 H GLY 146 -11.893 43.131 -15.387 823 HA2 GLY 146 HA2 GLY 146 -13.380 41.365 -13.748 824 HA3 GLY 146 HA3 GLY 146 -14.015 42.794 -14.558 825 H SER 147 H SER 147 -14.437 39.576 -14.300 826 HA SER 147 HA SER 147 -14.705 38.620 -16.925 827 HB2 SER 147 HB2 SER 147 -16.357 37.853 -14.507 828 HB3 SER 147 HB3 SER 147 -16.145 36.902 -15.973 829 HG SER 147 HG SER 147 -14.516 36.179 -14.854 830 H GLU 148 H GLU 148 -16.937 40.466 -14.894 831 HA GLU 148 HA GLU 148 -18.955 40.405 -17.033 832 HB2 GLU 148 HB2 GLU 148 -19.635 39.902 -14.677 833 HB3 GLU 148 HB3 GLU 148 -19.186 41.552 -14.242 834 HG2 GLU 148 HG2 GLU 148 -20.780 42.403 -15.956 835 HG3 GLU 148 HG3 GLU 148 -21.272 40.748 -16.289 836 H ASN 149 H ASN 149 -19.543 42.187 -18.162 837 HA ASN 149 HA ASN 149 -18.090 44.706 -17.588 838 HB2 ASN 149 HB2 ASN 149 -18.089 45.163 -19.968 839 HB3 ASN 149 HB3 ASN 149 -17.347 43.596 -19.667 840 HD21 ASN 149 HD21 ASN 149 -18.527 44.357 -22.211 841 HD22 ASN 149 HD22 ASN 149 -19.853 43.331 -22.480 842 H LEU 150 H LEU 150 -19.263 46.459 -17.209 843 HA LEU 150 HA LEU 150 -22.054 46.368 -16.874 844 HB2 LEU 150 HB2 LEU 150 -20.454 47.971 -15.785 845 HB3 LEU 150 HB3 LEU 150 -20.376 48.847 -17.310 846 HG LEU 150 HG LEU 150 -23.081 48.243 -16.161 847 HD11 LEU 150 HD11 LEU 150 -22.977 50.338 -14.831 848 HD12 LEU 150 HD12 LEU 150 -21.259 50.471 -15.204 849 HD13 LEU 150 HD13 LEU 150 -21.848 49.122 -14.233 850 HD21 LEU 150 HD21 LEU 150 -23.288 50.708 -17.093 851 HD22 LEU 150 HD22 LEU 150 -23.255 49.348 -18.211 852 HD23 LEU 150 HD23 LEU 150 -21.795 50.297 -17.938 853 H TYR 151 H TYR 151 -20.055 47.538 -19.553 854 HA TYR 151 HA TYR 151 -22.517 47.917 -21.164 855 HB2 TYR 151 HB2 TYR 151 -21.302 49.575 -22.439 856 HB3 TYR 151 HB3 TYR 151 -21.275 49.996 -20.737 857 HD1 TYR 151 HD2 TYR 151 -19.192 49.763 -19.420 858 HD2 TYR 151 HD1 TYR 151 -19.296 48.996 -23.645 859 HE1 TYR 151 HE2 TYR 151 -16.717 49.891 -19.504 860 HE2 TYR 151 HE1 TYR 151 -16.822 49.123 -23.729 861 HH TYR 151 HH TYR 151 -14.988 50.415 -21.419 862 H PHE 152 H PHE 152 -22.748 46.710 -22.926 863 HA PHE 152 HA PHE 152 -21.004 44.549 -23.471 864 HB2 PHE 152 HB2 PHE 152 -23.437 44.560 -23.940 865 HB3 PHE 152 HB3 PHE 152 -23.162 45.717 -25.226 866 HD1 PHE 152 HD1 PHE 152 -22.570 42.236 -24.112 867 HD2 PHE 152 HD2 PHE 152 -22.320 45.026 -27.369 868 HE1 PHE 152 HE1 PHE 152 -22.150 40.363 -25.685 869 HE2 PHE 152 HE2 PHE 152 -21.901 43.154 -28.941 870 HZ PHE 152 HZ PHE 152 -21.816 40.823 -28.099 871 H GLN 153 H GLN 153 -21.559 47.633 -25.156 872 HA GLN 153 HA GLN 153 -19.982 47.143 -27.406 873 HB2 GLN 153 HB2 GLN 153 -20.422 49.787 -25.997 874 HB3 GLN 153 HB3 GLN 153 -19.878 49.579 -27.661 875 HG2 GLN 153 HG2 GLN 153 -22.539 48.652 -26.540 876 HG3 GLN 153 HG3 GLN 153 -22.293 50.049 -27.583 877 HE21 GLN 153 HE21 GLN 153 -23.640 47.185 -27.885 878 HE22 GLN 153 HE22 GLN 153 -23.090 46.698 -29.415 Start of MODEL 4 1 H1 MET 39 HT1 MET 39 56.231 24.092 19.275 2 H2 MET 39 HT2 MET 39 56.759 23.718 17.704 3 H3 MET 39 HT3 MET 39 57.141 22.686 18.999 4 HA MET 39 HA MET 39 55.408 21.554 18.044 5 HB2 MET 39 HB2 MET 39 54.171 23.497 20.014 6 HB3 MET 39 HB3 MET 39 53.407 22.003 19.468 7 HG2 MET 39 HG2 MET 39 55.426 20.750 20.297 8 HG3 MET 39 HG3 MET 39 56.012 22.259 20.995 9 HE1 MET 39 HE1 MET 39 54.698 23.742 22.364 10 HE2 MET 39 HE2 MET 39 53.581 23.256 23.637 11 HE3 MET 39 HE3 MET 39 52.977 23.547 22.007 12 H ASN 40 H ASN 40 55.425 22.330 15.848 13 HA ASN 40 HA ASN 40 54.153 24.632 14.910 14 HB2 ASN 40 HB2 ASN 40 54.480 21.935 13.578 15 HB3 ASN 40 HB3 ASN 40 53.978 23.406 12.748 16 HD21 ASN 40 HD21 ASN 40 56.423 21.957 12.127 17 HD22 ASN 40 HD22 ASN 40 57.725 22.981 12.496 18 H GLY 41 H GLY 41 52.819 21.437 15.654 19 HA2 GLY 41 HA2 GLY 41 50.595 21.032 16.321 20 HA3 GLY 41 HA3 GLY 41 50.134 22.600 15.668 21 H GLU 42 H GLU 42 51.389 22.226 13.091 22 HA GLU 42 HA GLU 42 49.297 21.114 11.625 23 HB2 GLU 42 HB2 GLU 42 51.038 22.667 10.739 24 HB3 GLU 42 HB3 GLU 42 52.178 21.322 10.734 25 HG2 GLU 42 HG2 GLU 42 50.626 20.053 9.258 26 HG3 GLU 42 HG3 GLU 42 49.563 21.452 9.208 27 H ASN 43 H ASN 43 52.141 19.558 12.989 28 HA ASN 43 HA ASN 43 52.309 17.250 11.467 29 HB2 ASN 43 HB2 ASN 43 52.740 17.600 14.439 30 HB3 ASN 43 HB3 ASN 43 53.247 16.188 13.515 31 HD21 ASN 43 HD21 ASN 43 55.086 17.978 14.899 32 HD22 ASN 43 HD22 ASN 43 56.061 18.707 13.716 33 H TYR 44 H TYR 44 50.023 18.024 14.049 34 HA TYR 44 HA TYR 44 48.703 15.406 13.606 35 HB2 TYR 44 HB2 TYR 44 48.525 17.277 15.971 36 HB3 TYR 44 HB3 TYR 44 47.669 15.756 15.807 37 HD1 TYR 44 HD2 TYR 44 48.981 13.601 15.740 38 HD2 TYR 44 HD1 TYR 44 50.778 17.378 16.716 39 HE1 TYR 44 HE2 TYR 44 50.916 12.420 16.747 40 HE2 TYR 44 HE1 TYR 44 52.713 16.198 17.722 41 HH TYR 44 HH TYR 44 53.266 14.029 18.595 42 H PHE 45 H PHE 45 46.920 15.482 12.435 43 HA PHE 45 HA PHE 45 45.552 18.012 11.980 44 HB2 PHE 45 HB2 PHE 45 44.322 16.825 10.275 45 HB3 PHE 45 HB3 PHE 45 46.038 16.516 10.106 46 HD1 PHE 45 HD2 PHE 45 46.981 14.302 10.726 47 HD2 PHE 45 HD1 PHE 45 42.758 15.081 10.812 48 HE1 PHE 45 HE2 PHE 45 46.533 11.865 10.791 49 HE2 PHE 45 HE1 PHE 45 42.310 12.643 10.875 50 HZ PHE 45 HZ PHE 45 44.197 11.035 10.866 51 H LYS 46 H LYS 46 45.150 15.372 14.131 52 HA LYS 46 HA LYS 46 42.383 15.035 14.206 53 HB2 LYS 46 HB2 LYS 46 44.033 13.625 15.418 54 HB3 LYS 46 HB3 LYS 46 44.287 14.946 16.557 55 HG2 LYS 46 HG2 LYS 46 41.859 14.894 17.114 56 HG3 LYS 46 HG3 LYS 46 41.668 13.506 16.041 57 HD2 LYS 46 HD2 LYS 46 43.386 12.288 17.403 58 HD3 LYS 46 HD3 LYS 46 43.390 13.644 18.532 59 HE2 LYS 46 HE2 LYS 46 40.948 13.323 18.884 60 HE3 LYS 46 HE3 LYS 46 41.002 11.916 17.823 61 HZ1 LYS 46 HZ1 LYS 46 41.283 11.706 20.417 62 HZ2 LYS 46 HZ2 LYS 46 42.907 12.025 20.035 63 HZ3 LYS 46 HZ3 LYS 46 42.116 10.687 19.348 64 H LEU 47 H LEU 47 44.419 17.416 15.875 65 HA LEU 47 HA LEU 47 41.975 18.823 16.769 66 HB2 LEU 47 HB2 LEU 47 44.822 18.884 17.779 67 HB3 LEU 47 HB3 LEU 47 43.600 20.054 18.277 68 HG LEU 47 HG LEU 47 42.152 17.964 18.832 69 HD11 LEU 47 HD11 LEU 47 44.889 16.813 18.399 70 HD12 LEU 47 HD12 LEU 47 43.314 16.138 17.983 71 HD13 LEU 47 HD13 LEU 47 43.862 16.127 19.658 72 HD21 LEU 47 HD21 LEU 47 43.166 17.856 21.086 73 HD22 LEU 47 HD22 LEU 47 43.084 19.521 20.509 74 HD23 LEU 47 HD23 LEU 47 44.616 18.648 20.469 75 H GLY 48 H GLY 48 41.718 21.017 16.350 76 HA2 GLY 48 HA2 GLY 48 42.222 23.113 15.453 77 HA3 GLY 48 HA3 GLY 48 43.754 22.471 14.871 78 H SER 49 H SER 49 40.345 21.546 14.311 79 HA SER 49 HA SER 49 40.841 21.836 11.397 80 HB2 SER 49 HB2 SER 49 38.958 19.937 12.818 81 HB3 SER 49 HB3 SER 49 39.142 20.088 11.074 82 HG SER 49 HG SER 49 40.670 18.790 12.832 83 H ASP 50 H ASP 50 39.533 23.153 10.287 84 HA ASP 50 HA ASP 50 37.710 24.868 11.661 85 HB2 ASP 50 HB2 ASP 50 38.206 24.464 8.704 86 HB3 ASP 50 HB3 ASP 50 37.235 25.762 9.394 87 H SER 51 H SER 51 37.334 22.060 9.548 88 HA SER 51 HA SER 51 34.553 22.342 9.098 89 HB2 SER 51 HB2 SER 51 36.259 19.842 9.050 90 HB3 SER 51 HB3 SER 51 34.643 19.996 8.370 91 HG SER 51 HG SER 51 36.808 20.523 7.165 92 H LYS 52 H LYS 52 32.788 21.365 10.058 93 HA LYS 52 HA LYS 52 33.207 20.412 12.818 94 HB2 LYS 52 HB2 LYS 52 30.656 21.353 11.492 95 HB3 LYS 52 HB3 LYS 52 30.866 20.959 13.197 96 HG2 LYS 52 HG2 LYS 52 32.358 23.156 11.733 97 HG3 LYS 52 HG3 LYS 52 30.962 23.410 12.779 98 HD2 LYS 52 HD2 LYS 52 32.252 22.309 14.644 99 HD3 LYS 52 HD3 LYS 52 33.665 22.305 13.586 100 HE2 LYS 52 HE2 LYS 52 33.451 24.777 13.347 101 HE3 LYS 52 HE3 LYS 52 32.126 24.745 14.510 102 HZ1 LYS 52 HZ1 LYS 52 33.833 23.492 15.966 103 HZ2 LYS 52 HZ2 LYS 52 33.935 25.184 15.835 104 HZ3 LYS 52 HZ3 LYS 52 34.985 24.194 14.937 105 H LEU 53 H LEU 53 33.445 18.749 10.261 106 HA LEU 53 HA LEU 53 31.263 17.022 9.984 107 HB2 LEU 53 HB2 LEU 53 33.229 17.127 8.455 108 HB3 LEU 53 HB3 LEU 53 34.187 16.303 9.687 109 HG LEU 53 HG LEU 53 32.454 14.449 9.645 110 HD11 LEU 53 HD11 LEU 53 31.517 16.128 7.313 111 HD12 LEU 53 HD12 LEU 53 30.566 15.508 8.662 112 HD13 LEU 53 HD13 LEU 53 31.161 14.404 7.422 113 HD21 LEU 53 HD21 LEU 53 34.442 13.907 8.527 114 HD22 LEU 53 HD22 LEU 53 34.217 15.169 7.314 115 HD23 LEU 53 HD23 LEU 53 33.239 13.703 7.254 116 H LEU 54 H LEU 54 33.881 17.027 12.348 117 HA LEU 54 HA LEU 54 33.679 14.428 13.326 118 HB2 LEU 54 HB2 LEU 54 34.261 16.942 14.908 119 HB3 LEU 54 HB3 LEU 54 34.658 15.297 15.397 120 HG LEU 54 HG LEU 54 35.710 16.660 12.899 121 HD11 LEU 54 HD11 LEU 54 36.790 17.726 14.713 122 HD12 LEU 54 HD12 LEU 54 37.901 16.434 14.258 123 HD13 LEU 54 HD13 LEU 54 36.851 16.240 15.661 124 HD21 LEU 54 HD21 LEU 54 35.723 14.330 12.482 125 HD22 LEU 54 HD22 LEU 54 36.116 13.946 14.158 126 HD23 LEU 54 HD23 LEU 54 37.342 14.652 13.105 127 H THR 55 H THR 55 31.652 17.240 14.018 128 HA THR 55 HA THR 55 29.984 15.540 15.785 129 HB THR 55 HB THR 55 29.158 17.611 16.773 130 HG1 THR 55 HG1 THR 55 30.843 18.798 14.909 131 HG21 THR 55 HG21 THR 55 31.320 18.434 17.756 132 HG22 THR 55 HG22 THR 55 32.175 17.425 16.589 133 HG23 THR 55 HG23 THR 55 31.137 16.681 17.804 134 H HIS 56 H HIS 56 27.736 15.579 15.526 135 HA HIS 56 HA HIS 56 26.507 17.075 13.383 136 HB2 HIS 56 HB2 HIS 56 27.546 15.213 12.148 137 HB3 HIS 56 HB3 HIS 56 26.707 14.069 13.177 138 HD1 HIS 56 HD1 HIS 56 25.772 16.969 10.870 139 HD2 HIS 56 HD2 HIS 56 24.347 13.230 12.041 140 HE1 HIS 56 HE1 HIS 56 23.682 16.542 9.509 141 H ASN 57 H ASN 57 26.259 14.399 15.686 142 HA ASN 57 HA ASN 57 23.493 14.131 15.812 143 HB2 ASN 57 HB2 ASN 57 25.247 12.682 16.929 144 HB3 ASN 57 HB3 ASN 57 25.335 13.907 18.193 145 HD21 ASN 57 HD21 ASN 57 24.457 12.303 19.745 146 HD22 ASN 57 HD22 ASN 57 22.800 11.930 19.735 147 H SER 58 H SER 58 25.591 16.498 17.393 148 HA SER 58 HA SER 58 23.220 17.709 18.682 149 HB2 SER 58 HB2 SER 58 24.784 18.793 20.193 150 HB3 SER 58 HB3 SER 58 25.101 17.061 20.168 151 HG SER 58 HG SER 58 26.985 17.556 19.434 152 H TYR 59 H TYR 59 22.798 19.897 18.456 153 HA TYR 59 HA TYR 59 24.480 21.461 16.639 154 HB2 TYR 59 HB2 TYR 59 22.660 22.089 15.217 155 HB3 TYR 59 HB3 TYR 59 22.746 20.341 15.261 156 HD1 TYR 59 HD2 TYR 59 21.043 19.038 16.535 157 HD2 TYR 59 HD1 TYR 59 20.756 23.295 16.032 158 HE1 TYR 59 HE2 TYR 59 18.652 18.955 17.194 159 HE2 TYR 59 HE1 TYR 59 18.366 23.210 16.690 160 HH TYR 59 HH TYR 59 16.982 21.073 18.249 161 H GLN 60 H GLN 60 24.017 23.764 16.717 162 HA GLN 60 HA GLN 60 22.427 24.621 19.052 163 HB2 GLN 60 HB2 GLN 60 25.259 25.473 18.407 164 HB3 GLN 60 HB3 GLN 60 24.236 26.230 19.628 165 HG2 GLN 60 HG2 GLN 60 24.066 24.121 20.846 166 HG3 GLN 60 HG3 GLN 60 24.998 23.297 19.599 167 HE21 GLN 60 HE21 GLN 60 25.865 23.363 22.332 168 HE22 GLN 60 HE22 GLN 60 27.288 24.285 22.414 169 H ASN 61 H ASN 61 20.976 26.067 18.416 170 HA ASN 61 HA ASN 61 21.729 28.298 16.744 171 HB2 ASN 61 HB2 ASN 61 21.145 26.368 15.157 172 HB3 ASN 61 HB3 ASN 61 19.487 26.558 15.724 173 HD21 ASN 61 HD21 ASN 61 18.870 27.286 13.523 174 HD22 ASN 61 HD22 ASN 61 19.245 28.862 13.014 175 H ARG 62 H ARG 62 18.687 26.599 17.499 176 HA ARG 62 HA ARG 62 17.821 28.958 19.065 177 HB2 ARG 62 HB2 ARG 62 16.187 27.347 17.088 178 HB3 ARG 62 HB3 ARG 62 15.531 28.575 18.171 179 HG2 ARG 62 HG2 ARG 62 17.091 30.242 17.157 180 HG3 ARG 62 HG3 ARG 62 17.609 29.009 16.007 181 HD2 ARG 62 HD2 ARG 62 14.791 30.076 16.330 182 HD3 ARG 62 HD3 ARG 62 15.884 30.421 14.994 183 HE ARG 62 HE ARG 62 15.587 27.627 15.219 184 HH11 ARG 62 HH11 ARG 62 13.669 30.420 14.297 185 HH12 ARG 62 HH12 ARG 62 12.665 29.501 13.226 186 HH21 ARG 62 HH21 ARG 62 14.262 26.497 13.825 187 HH22 ARG 62 HH22 ARG 62 12.997 27.308 12.963 188 H LEU 63 H LEU 63 16.527 28.516 20.865 189 HA LEU 63 HA LEU 63 16.537 25.689 21.723 190 HB2 LEU 63 HB2 LEU 63 17.647 27.379 23.189 191 HB3 LEU 63 HB3 LEU 63 16.089 28.181 23.383 192 HG LEU 63 HG LEU 63 15.171 25.957 24.201 193 HD11 LEU 63 HD11 LEU 63 18.098 25.314 23.933 194 HD12 LEU 63 HD12 LEU 63 16.702 24.335 23.484 195 HD13 LEU 63 HD13 LEU 63 17.136 24.525 25.183 196 HD21 LEU 63 HD21 LEU 63 15.831 27.840 25.707 197 HD22 LEU 63 HD22 LEU 63 17.450 27.147 25.815 198 HD23 LEU 63 HD23 LEU 63 16.065 26.261 26.454 199 H PHE 64 H PHE 64 14.684 24.596 21.651 200 HA PHE 64 HA PHE 64 12.160 26.068 21.372 201 HB2 PHE 64 HB2 PHE 64 12.834 23.148 21.008 202 HB3 PHE 64 HB3 PHE 64 11.230 23.830 20.807 203 HD1 PHE 64 HD1 PHE 64 10.778 25.424 18.940 204 HD2 PHE 64 HD2 PHE 64 14.531 23.373 19.334 205 HE1 PHE 64 HE1 PHE 64 11.319 25.960 16.579 206 HE2 PHE 64 HE2 PHE 64 15.072 23.909 16.974 207 HZ PHE 64 HZ PHE 64 13.466 25.203 15.596 208 H TYR 65 H TYR 65 10.730 26.245 22.998 209 HA TYR 65 HA TYR 65 10.874 24.281 25.220 210 HB2 TYR 65 HB2 TYR 65 11.547 26.641 25.814 211 HB3 TYR 65 HB3 TYR 65 9.912 27.135 25.415 212 HD1 TYR 65 HD2 TYR 65 12.004 25.186 27.749 213 HD2 TYR 65 HD1 TYR 65 8.055 26.645 26.896 214 HE1 TYR 65 HE2 TYR 65 11.286 24.583 30.044 215 HE2 TYR 65 HE1 TYR 65 7.336 26.040 29.192 216 HH TYR 65 HH TYR 65 8.060 25.297 31.195 217 H THR 66 H THR 66 8.929 23.402 25.913 218 HA THR 66 HA THR 66 6.645 23.884 24.091 219 HB THR 66 HB THR 66 7.211 21.448 25.794 220 HG1 THR 66 HG1 THR 66 7.563 21.791 23.057 221 HG21 THR 66 HG21 THR 66 5.557 20.474 24.086 222 HG22 THR 66 HG22 THR 66 5.169 22.146 23.682 223 HG23 THR 66 HG23 THR 66 4.888 21.546 25.317 224 H LEU 67 H LEU 67 4.640 24.299 24.870 225 HA LEU 67 HA LEU 67 4.421 25.168 27.631 226 HB2 LEU 67 HB2 LEU 67 2.511 25.230 25.287 227 HB3 LEU 67 HB3 LEU 67 2.121 25.874 26.878 228 HG LEU 67 HG LEU 67 4.526 26.750 25.255 229 HD11 LEU 67 HD11 LEU 67 1.692 27.747 25.367 230 HD12 LEU 67 HD12 LEU 67 2.753 27.568 23.969 231 HD13 LEU 67 HD13 LEU 67 3.008 28.892 25.107 232 HD21 LEU 67 HD21 LEU 67 3.262 27.558 27.862 233 HD22 LEU 67 HD22 LEU 67 4.139 28.759 26.915 234 HD23 LEU 67 HD23 LEU 67 4.966 27.310 27.486 235 H LYS 68 H LYS 68 3.497 24.078 29.235 236 HA LYS 68 HA LYS 68 1.910 21.659 28.599 237 HB2 LYS 68 HB2 LYS 68 4.210 21.125 29.426 238 HB3 LYS 68 HB3 LYS 68 3.825 21.981 30.920 239 HG2 LYS 68 HG2 LYS 68 1.893 20.453 31.267 240 HG3 LYS 68 HG3 LYS 68 2.368 19.559 29.822 241 HD2 LYS 68 HD2 LYS 68 4.605 19.153 30.880 242 HD3 LYS 68 HD3 LYS 68 3.997 19.905 32.354 243 HE2 LYS 68 HE2 LYS 68 2.455 17.658 31.088 244 HE3 LYS 68 HE3 LYS 68 3.857 17.299 32.096 245 HZ1 LYS 68 HZ1 LYS 68 2.852 18.619 33.870 246 HZ2 LYS 68 HZ2 LYS 68 1.852 17.323 33.415 247 HZ3 LYS 68 HZ3 LYS 68 1.489 18.901 32.901 248 H THR 69 H THR 69 0.157 21.227 29.940 249 HA THR 69 HA THR 69 -1.302 23.376 30.907 250 HB THR 69 HB THR 69 -2.324 21.221 30.394 251 HG1 THR 69 HG1 THR 69 -3.512 22.339 31.801 252 HG21 THR 69 HG21 THR 69 -1.993 19.276 31.763 253 HG22 THR 69 HG22 THR 69 -1.057 20.194 32.943 254 HG23 THR 69 HG23 THR 69 -0.391 19.881 31.340 255 H GLY 70 H GLY 70 -1.455 24.464 32.773 256 HA2 GLY 70 HA2 GLY 70 -1.295 24.584 35.188 257 HA3 GLY 70 HA3 GLY 70 0.103 23.523 35.104 258 H GLU 71 H GLU 71 1.192 25.067 32.750 259 HA GLU 71 HA GLU 71 2.269 27.347 34.298 260 HB2 GLU 71 HB2 GLU 71 3.876 25.563 33.563 261 HB3 GLU 71 HB3 GLU 71 3.492 25.980 31.891 262 HG2 GLU 71 HG2 GLU 71 4.172 28.332 32.360 263 HG3 GLU 71 HG3 GLU 71 4.646 27.845 33.981 264 H THR 72 H THR 72 2.324 29.376 33.409 265 HA THR 72 HA THR 72 0.909 29.745 30.830 266 HB THR 72 HB THR 72 0.238 31.941 31.637 267 HG1 THR 72 HG1 THR 72 1.318 31.353 34.104 268 HG21 THR 72 HG21 THR 72 -0.988 29.747 32.314 269 HG22 THR 72 HG22 THR 72 -1.410 31.238 33.155 270 HG23 THR 72 HG23 THR 72 -0.338 30.066 33.921 271 H VAL 73 H VAL 73 1.601 31.807 29.690 272 HA VAL 73 HA VAL 73 4.298 31.598 28.976 273 HB VAL 73 HB VAL 73 2.465 33.986 28.628 274 HG11 VAL 73 HG11 VAL 73 3.966 34.232 26.534 275 HG12 VAL 73 HG12 VAL 73 5.092 33.173 27.384 276 HG13 VAL 73 HG13 VAL 73 4.644 34.728 28.086 277 HG21 VAL 73 HG21 VAL 73 1.365 32.133 27.635 278 HG22 VAL 73 HG22 VAL 73 2.880 31.439 27.058 279 HG23 VAL 73 HG23 VAL 73 2.232 32.895 26.301 280 H ALA 74 H ALA 74 2.691 33.879 31.184 281 HA ALA 74 HA ALA 74 4.940 35.498 31.691 282 HB1 ALA 74 HB1 ALA 74 3.607 35.823 33.968 283 HB2 ALA 74 HB2 ALA 74 2.343 34.988 33.065 284 HB3 ALA 74 HB3 ALA 74 3.015 36.497 32.451 285 H ASP 75 H ASP 75 3.781 32.531 33.272 286 HA ASP 75 HA ASP 75 5.545 32.592 35.471 287 HB2 ASP 75 HB2 ASP 75 4.260 30.259 34.039 288 HB3 ASP 75 HB3 ASP 75 5.145 30.117 35.554 289 H LEU 76 H LEU 76 5.859 31.099 32.261 290 HA LEU 76 HA LEU 76 8.336 29.840 32.679 291 HB2 LEU 76 HB2 LEU 76 6.853 29.433 30.724 292 HB3 LEU 76 HB3 LEU 76 7.285 31.023 30.096 293 HG LEU 76 HG LEU 76 9.709 30.286 30.177 294 HD11 LEU 76 HD11 LEU 76 9.992 27.760 30.160 295 HD12 LEU 76 HD12 LEU 76 8.347 27.652 30.785 296 HD13 LEU 76 HD13 LEU 76 9.599 28.458 31.730 297 HD21 LEU 76 HD21 LEU 76 8.446 30.299 28.074 298 HD22 LEU 76 HD22 LEU 76 7.784 28.707 28.442 299 HD23 LEU 76 HD23 LEU 76 9.509 28.892 28.125 300 H SER 77 H SER 77 7.553 33.097 31.513 301 HA SER 77 HA SER 77 10.164 33.921 30.882 302 HB2 SER 77 HB2 SER 77 8.023 35.109 30.286 303 HB3 SER 77 HB3 SER 77 7.949 35.677 31.951 304 HG SER 77 HG SER 77 9.317 37.116 31.328 305 H LYS 78 H LYS 78 8.365 34.067 33.933 306 HA LYS 78 HA LYS 78 10.217 35.622 35.374 307 HB2 LYS 78 HB2 LYS 78 7.887 35.127 36.104 308 HB3 LYS 78 HB3 LYS 78 8.386 33.473 36.462 309 HG2 LYS 78 HG2 LYS 78 10.099 34.359 38.036 310 HG3 LYS 78 HG3 LYS 78 9.507 35.992 37.726 311 HD2 LYS 78 HD2 LYS 78 7.236 35.253 38.490 312 HD3 LYS 78 HD3 LYS 78 7.941 33.701 38.943 313 HE2 LYS 78 HE2 LYS 78 8.012 34.918 40.953 314 HE3 LYS 78 HE3 LYS 78 9.639 35.123 40.304 315 HZ1 LYS 78 HZ1 LYS 78 7.745 37.078 39.365 316 HZ2 LYS 78 HZ2 LYS 78 9.316 37.292 39.975 317 HZ3 LYS 78 HZ3 LYS 78 8.002 37.134 41.040 318 H SER 79 H SER 79 9.884 32.097 35.069 319 HA SER 79 HA SER 79 11.949 31.396 36.850 320 HB2 SER 79 HB2 SER 79 10.223 29.828 35.933 321 HB3 SER 79 HB3 SER 79 11.075 29.863 34.393 322 HG SER 79 HG SER 79 11.848 28.789 36.809 323 H GLN 80 H GLN 80 11.985 31.948 33.350 324 HA GLN 80 HA GLN 80 14.780 31.378 33.067 325 HB2 GLN 80 HB2 GLN 80 12.811 32.733 31.220 326 HB3 GLN 80 HB3 GLN 80 14.461 32.297 30.775 327 HG2 GLN 80 HG2 GLN 80 14.000 29.942 31.237 328 HG3 GLN 80 HG3 GLN 80 12.374 30.343 31.782 329 HE21 GLN 80 HE21 GLN 80 12.818 28.532 29.610 330 HE22 GLN 80 HE22 GLN 80 12.241 29.255 28.186 331 H ASP 81 H ASP 81 13.234 34.104 34.356 332 HA ASP 81 HA ASP 81 13.942 36.229 34.846 333 HB2 ASP 81 HB2 ASP 81 15.926 34.928 35.681 334 HB3 ASP 81 HB3 ASP 81 16.699 35.214 34.123 335 H ILE 82 H ILE 82 12.923 35.802 32.299 336 HA ILE 82 HA ILE 82 14.539 37.632 30.621 337 HB ILE 82 HB ILE 82 12.453 35.619 29.735 338 HG12 ILE 82 HG12 ILE 82 15.467 35.555 29.393 339 HG13 ILE 82 HG13 ILE 82 14.590 34.614 30.600 340 HG21 ILE 82 HG21 ILE 82 12.664 37.629 28.288 341 HG22 ILE 82 HG22 ILE 82 13.242 36.173 27.478 342 HG23 ILE 82 HG23 ILE 82 14.395 37.326 28.147 343 HD11 ILE 82 HD11 ILE 82 13.185 33.747 28.598 344 HD12 ILE 82 HD12 ILE 82 14.818 33.111 28.800 345 HD13 ILE 82 HD13 ILE 82 14.501 34.362 27.598 346 H ASN 83 H ASN 83 13.482 39.376 29.638 347 HA ASN 83 HA ASN 83 11.214 40.375 31.118 348 HB2 ASN 83 HB2 ASN 83 12.727 41.513 28.758 349 HB3 ASN 83 HB3 ASN 83 11.473 42.367 29.653 350 HD21 ASN 83 HD21 ASN 83 14.268 43.223 29.487 351 HD22 ASN 83 HD22 ASN 83 14.895 43.172 31.063 352 H LEU 84 H LEU 84 9.122 40.484 30.494 353 HA LEU 84 HA LEU 84 8.111 38.763 28.534 354 HB2 LEU 84 HB2 LEU 84 6.805 41.237 29.698 355 HB3 LEU 84 HB3 LEU 84 5.971 39.937 28.851 356 HG LEU 84 HG LEU 84 7.582 39.578 31.396 357 HD11 LEU 84 HD11 LEU 84 5.144 39.051 32.226 358 HD12 LEU 84 HD12 LEU 84 4.662 40.043 30.850 359 HD13 LEU 84 HD13 LEU 84 5.677 40.728 32.118 360 HD21 LEU 84 HD21 LEU 84 6.318 37.363 31.382 361 HD22 LEU 84 HD22 LEU 84 7.556 37.531 30.138 362 HD23 LEU 84 HD23 LEU 84 5.855 37.734 29.721 363 H SER 85 H SER 85 8.962 42.195 28.340 364 HA SER 85 HA SER 85 7.769 42.771 25.861 365 HB2 SER 85 HB2 SER 85 8.769 44.457 27.428 366 HB3 SER 85 HB3 SER 85 10.364 43.907 26.926 367 HG SER 85 HG SER 85 8.999 45.679 25.757 368 H THR 86 H THR 86 10.976 41.468 26.659 369 HA THR 86 HA THR 86 12.011 41.466 24.032 370 HB THR 86 HB THR 86 12.684 39.547 26.274 371 HG1 THR 86 HG1 THR 86 13.721 41.157 27.095 372 HG21 THR 86 HG21 THR 86 14.883 39.479 25.141 373 HG22 THR 86 HG22 THR 86 14.253 40.530 23.873 374 HG23 THR 86 HG23 THR 86 13.593 38.909 24.082 375 H ILE 87 H ILE 87 10.271 38.972 25.872 376 HA ILE 87 HA ILE 87 10.504 36.887 24.010 377 HB ILE 87 HB ILE 87 8.196 37.434 25.900 378 HG12 ILE 87 HG12 ILE 87 10.684 35.748 26.315 379 HG13 ILE 87 HG13 ILE 87 10.479 37.374 26.965 380 HG21 ILE 87 HG21 ILE 87 7.762 35.055 25.748 381 HG22 ILE 87 HG22 ILE 87 9.191 34.813 24.742 382 HG23 ILE 87 HG23 ILE 87 7.807 35.704 24.109 383 HD11 ILE 87 HD11 ILE 87 8.459 36.628 28.183 384 HD12 ILE 87 HD12 ILE 87 9.878 35.696 28.658 385 HD13 ILE 87 HD13 ILE 87 8.693 34.996 27.556 386 H TRP 88 H TRP 88 8.012 39.389 24.365 387 HA TRP 88 HA TRP 88 6.317 38.541 22.298 388 HB2 TRP 88 HB2 TRP 88 5.714 40.246 23.965 389 HB3 TRP 88 HB3 TRP 88 6.862 41.356 23.241 390 HD1 TRP 88 HD1 TRP 88 3.842 39.261 22.010 391 HE1 TRP 88 HE1 TRP 88 2.467 40.725 20.397 392 HE3 TRP 88 HE3 TRP 88 6.685 43.502 22.031 393 HZ2 TRP 88 HZ2 TRP 88 2.560 43.354 19.261 394 HZ3 TRP 88 HZ3 TRP 88 6.022 45.466 20.678 395 HH2 TRP 88 HH2 TRP 88 3.967 45.400 19.294 396 H SER 89 H SER 89 9.035 40.855 22.196 397 HA SER 89 HA SER 89 8.722 41.721 19.578 398 HB2 SER 89 HB2 SER 89 11.043 42.404 19.671 399 HB3 SER 89 HB3 SER 89 10.305 42.680 21.245 400 HG SER 89 HG SER 89 11.299 40.832 21.937 401 H LEU 90 H LEU 90 10.414 38.837 20.775 402 HA LEU 90 HA LEU 90 11.434 38.098 18.209 403 HB2 LEU 90 HB2 LEU 90 11.013 36.398 20.677 404 HB3 LEU 90 HB3 LEU 90 12.010 35.973 19.287 405 HG LEU 90 HG LEU 90 12.449 38.408 21.040 406 HD11 LEU 90 HD11 LEU 90 12.870 35.996 21.979 407 HD12 LEU 90 HD12 LEU 90 14.121 37.224 22.172 408 HD13 LEU 90 HD13 LEU 90 14.263 36.014 20.898 409 HD21 LEU 90 HD21 LEU 90 13.330 38.845 18.864 410 HD22 LEU 90 HD22 LEU 90 13.935 37.197 18.698 411 HD23 LEU 90 HD23 LEU 90 14.709 38.312 19.825 412 H ASN 91 H ASN 91 8.705 36.832 20.153 413 HA ASN 91 HA ASN 91 8.000 35.044 17.966 414 HB2 ASN 91 HB2 ASN 91 6.874 35.358 20.747 415 HB3 ASN 91 HB3 ASN 91 6.326 34.158 19.578 416 HD21 ASN 91 HD21 ASN 91 9.439 35.305 21.018 417 HD22 ASN 91 HD22 ASN 91 10.123 33.754 21.103 418 H LYS 92 H LYS 92 7.268 38.215 18.386 419 HA LYS 92 HA LYS 92 4.530 38.450 18.209 420 HB2 LYS 92 HB2 LYS 92 4.888 40.535 16.976 421 HB3 LYS 92 HB3 LYS 92 6.018 40.384 18.320 422 HG2 LYS 92 HG2 LYS 92 7.807 39.738 16.844 423 HG3 LYS 92 HG3 LYS 92 6.701 39.584 15.480 424 HD2 LYS 92 HD2 LYS 92 7.810 41.690 15.215 425 HD3 LYS 92 HD3 LYS 92 6.175 42.049 15.762 426 HE2 LYS 92 HE2 LYS 92 7.069 42.180 18.115 427 HE3 LYS 92 HE3 LYS 92 8.692 42.026 17.445 428 HZ1 LYS 92 HZ1 LYS 92 7.912 43.973 15.947 429 HZ2 LYS 92 HZ2 LYS 92 8.435 44.286 17.533 430 HZ3 LYS 92 HZ3 LYS 92 6.775 44.235 17.178 431 H HIS 93 H HIS 93 6.716 37.239 15.739 432 HA HIS 93 HA HIS 93 4.803 37.464 13.610 433 HB2 HIS 93 HB2 HIS 93 6.373 36.348 12.254 434 HB3 HIS 93 HB3 HIS 93 7.287 37.404 13.306 435 HD1 HIS 93 HD1 HIS 93 8.688 36.195 15.246 436 HD2 HIS 93 HD2 HIS 93 6.972 33.638 12.433 437 HE1 HIS 93 HE1 HIS 93 9.858 33.971 15.495 438 H LEU 94 H LEU 94 5.701 34.943 15.913 439 HA LEU 94 HA LEU 94 4.290 32.822 14.652 440 HB2 LEU 94 HB2 LEU 94 4.988 33.176 17.576 441 HB3 LEU 94 HB3 LEU 94 4.519 31.665 16.798 442 HG LEU 94 HG LEU 94 6.943 33.316 16.034 443 HD11 LEU 94 HD11 LEU 94 8.266 31.830 17.283 444 HD12 LEU 94 HD12 LEU 94 6.991 30.614 17.360 445 HD13 LEU 94 HD13 LEU 94 6.871 32.080 18.333 446 HD21 LEU 94 HD21 LEU 94 5.876 30.621 15.150 447 HD22 LEU 94 HD22 LEU 94 7.528 31.149 14.832 448 HD23 LEU 94 HD23 LEU 94 6.171 32.038 14.143 449 H TYR 95 H TYR 95 3.388 35.157 17.162 450 HA TYR 95 HA TYR 95 0.610 34.130 17.057 451 HB2 TYR 95 HB2 TYR 95 2.033 35.673 19.226 452 HB3 TYR 95 HB3 TYR 95 0.346 35.194 19.269 453 HD1 TYR 95 HD2 TYR 95 -0.239 32.743 19.329 454 HD2 TYR 95 HD1 TYR 95 3.784 34.170 19.811 455 HE1 TYR 95 HE2 TYR 95 0.416 30.564 20.315 456 HE2 TYR 95 HE1 TYR 95 4.439 31.991 20.799 457 HH TYR 95 HH TYR 95 3.598 29.654 20.794 458 H SER 96 H SER 96 -1.112 35.594 16.956 459 HA SER 96 HA SER 96 -0.634 37.779 15.187 460 HB2 SER 96 HB2 SER 96 -3.155 37.078 16.706 461 HB3 SER 96 HB3 SER 96 -3.039 38.132 15.301 462 HG SER 96 HG SER 96 -3.567 36.051 14.680 463 H SER 97 H SER 97 -1.434 37.558 18.640 464 HA SER 97 HA SER 97 -0.553 40.309 19.017 465 HB2 SER 97 HB2 SER 97 -2.612 41.097 19.985 466 HB3 SER 97 HB3 SER 97 -2.978 40.450 18.389 467 HG SER 97 HG SER 97 -4.369 39.681 20.030 468 H GLU 98 H GLU 98 -0.736 40.931 21.379 469 HA GLU 98 HA GLU 98 0.643 39.063 22.966 470 HB2 GLU 98 HB2 GLU 98 -0.898 41.541 23.766 471 HB3 GLU 98 HB3 GLU 98 0.202 40.657 24.824 472 HG2 GLU 98 HG2 GLU 98 2.032 41.021 23.181 473 HG3 GLU 98 HG3 GLU 98 0.931 41.973 22.194 474 H SER 99 H SER 99 -2.806 39.785 22.696 475 HA SER 99 HA SER 99 -3.713 38.621 25.068 476 HB2 SER 99 HB2 SER 99 -5.107 39.952 23.470 477 HB3 SER 99 HB3 SER 99 -5.126 38.559 22.394 478 HG SER 99 HG SER 99 -6.375 37.557 23.798 479 H GLU 100 H GLU 100 -3.132 37.130 21.891 480 HA GLU 100 HA GLU 100 -4.050 34.554 22.558 481 HB2 GLU 100 HB2 GLU 100 -1.988 35.445 20.535 482 HB3 GLU 100 HB3 GLU 100 -2.634 33.805 20.635 483 HG2 GLU 100 HG2 GLU 100 -4.929 34.721 20.362 484 HG3 GLU 100 HG3 GLU 100 -4.245 36.331 20.180 485 H MET 101 H MET 101 -0.921 36.113 23.083 486 HA MET 101 HA MET 101 0.528 33.774 23.770 487 HB2 MET 101 HB2 MET 101 0.918 36.656 24.610 488 HB3 MET 101 HB3 MET 101 2.086 35.364 24.886 489 HG2 MET 101 HG2 MET 101 2.115 34.945 22.411 490 HG3 MET 101 HG3 MET 101 1.095 36.369 22.205 491 HE1 MET 101 HE1 MET 101 5.455 36.146 23.591 492 HE2 MET 101 HE2 MET 101 4.391 34.831 23.092 493 HE3 MET 101 HE3 MET 101 4.161 35.595 24.663 494 H MET 102 H MET 102 -1.136 36.201 25.788 495 HA MET 102 HA MET 102 -0.503 35.044 28.270 496 HB2 MET 102 HB2 MET 102 -2.852 36.763 27.458 497 HB3 MET 102 HB3 MET 102 -2.450 36.356 29.127 498 HG2 MET 102 HG2 MET 102 -0.157 37.324 28.731 499 HG3 MET 102 HG3 MET 102 -0.727 37.888 27.162 500 HE1 MET 102 HE1 MET 102 -3.840 38.557 27.917 501 HE2 MET 102 HE2 MET 102 -2.733 39.328 26.784 502 HE3 MET 102 HE3 MET 102 -3.578 40.304 27.982 503 H LYS 103 H LYS 103 -3.170 34.424 26.045 504 HA LYS 103 HA LYS 103 -4.431 32.579 27.929 505 HB2 LYS 103 HB2 LYS 103 -5.257 33.337 25.122 506 HB3 LYS 103 HB3 LYS 103 -6.219 32.429 26.284 507 HG2 LYS 103 HG2 LYS 103 -5.231 35.266 26.698 508 HG3 LYS 103 HG3 LYS 103 -6.864 34.831 26.197 509 HD2 LYS 103 HD2 LYS 103 -7.058 33.455 28.302 510 HD3 LYS 103 HD3 LYS 103 -5.513 34.134 28.818 511 HE2 LYS 103 HE2 LYS 103 -6.412 36.380 28.778 512 HE3 LYS 103 HE3 LYS 103 -7.921 35.810 28.066 513 HZ1 LYS 103 HZ1 LYS 103 -8.108 36.161 30.460 514 HZ2 LYS 103 HZ2 LYS 103 -6.880 35.018 30.732 515 HZ3 LYS 103 HZ3 LYS 103 -8.359 34.534 30.051 516 H ALA 104 H ALA 104 -1.770 32.064 26.294 517 HA ALA 104 HA ALA 104 -2.167 30.050 24.431 518 HB1 ALA 104 HB1 ALA 104 0.061 30.573 26.390 519 HB2 ALA 104 HB2 ALA 104 0.027 30.883 24.655 520 HB3 ALA 104 HB3 ALA 104 0.124 29.226 25.253 521 H ALA 105 H ALA 105 -2.245 27.822 24.512 522 HA ALA 105 HA ALA 105 -2.955 26.632 27.130 523 HB1 ALA 105 HB1 ALA 105 -4.048 25.576 24.547 524 HB2 ALA 105 HB2 ALA 105 -4.799 26.984 25.297 525 HB3 ALA 105 HB3 ALA 105 -4.715 25.458 26.175 526 HA PRO 106 HA PRO 106 0.018 23.458 26.586 527 HB2 PRO 106 HB2 PRO 106 -2.002 21.281 26.456 528 HB3 PRO 106 HB3 PRO 106 -0.664 21.519 27.596 529 HG2 PRO 106 HG2 PRO 106 -3.199 21.919 28.304 530 HG3 PRO 106 HG3 PRO 106 -1.877 22.912 28.942 531 HD2 PRO 106 HD2 PRO 106 -3.905 23.605 26.856 532 HD3 PRO 106 HD3 PRO 106 -3.158 24.641 28.093 533 H GLY 107 H GLY 107 1.120 22.375 24.977 534 HA2 GLY 107 HA2 GLY 107 1.226 20.983 23.034 535 HA3 GLY 107 HA3 GLY 107 -0.358 21.572 22.559 536 H GLN 108 H GLN 108 0.847 24.407 23.330 537 HA GLN 108 HA GLN 108 1.734 24.926 20.600 538 HB2 GLN 108 HB2 GLN 108 1.120 26.778 22.910 539 HB3 GLN 108 HB3 GLN 108 1.653 27.324 21.317 540 HG2 GLN 108 HG2 GLN 108 -0.281 26.151 20.291 541 HG3 GLN 108 HG3 GLN 108 -0.833 25.689 21.900 542 HE21 GLN 108 HE21 GLN 108 -0.653 28.337 19.603 543 HE22 GLN 108 HE22 GLN 108 -1.526 29.452 20.539 544 H GLN 109 H GLN 109 3.671 26.132 20.131 545 HA GLN 109 HA GLN 109 5.848 25.457 22.026 546 HB2 GLN 109 HB2 GLN 109 5.874 25.663 19.007 547 HB3 GLN 109 HB3 GLN 109 7.299 25.382 20.010 548 HG2 GLN 109 HG2 GLN 109 6.321 23.318 20.880 549 HG3 GLN 109 HG3 GLN 109 4.841 23.609 19.970 550 HE21 GLN 109 HE21 GLN 109 6.391 21.232 19.588 551 HE22 GLN 109 HE22 GLN 109 7.052 21.273 18.025 552 H ILE 110 H ILE 110 7.487 26.902 22.376 553 HA ILE 110 HA ILE 110 7.183 29.629 21.272 554 HB ILE 110 HB ILE 110 8.168 28.821 24.025 555 HG12 ILE 110 HG12 ILE 110 5.681 30.359 23.225 556 HG13 ILE 110 HG13 ILE 110 5.688 28.640 23.622 557 HG21 ILE 110 HG21 ILE 110 9.330 30.806 23.188 558 HG22 ILE 110 HG22 ILE 110 8.180 31.273 24.441 559 HG23 ILE 110 HG23 ILE 110 7.791 31.545 22.741 560 HD11 ILE 110 HD11 ILE 110 6.651 30.832 25.486 561 HD12 ILE 110 HD12 ILE 110 6.510 29.115 25.866 562 HD13 ILE 110 HD13 ILE 110 5.061 30.074 25.566 563 H ILE 111 H ILE 111 9.004 30.508 20.366 564 HA ILE 111 HA ILE 111 11.421 28.795 20.357 565 HB ILE 111 HB ILE 111 10.605 30.913 18.351 566 HG12 ILE 111 HG12 ILE 111 10.546 27.890 18.093 567 HG13 ILE 111 HG13 ILE 111 9.119 28.881 18.392 568 HG21 ILE 111 HG21 ILE 111 12.418 29.925 16.999 569 HG22 ILE 111 HG22 ILE 111 12.788 28.802 18.308 570 HG23 ILE 111 HG23 ILE 111 13.045 30.531 18.532 571 HD11 ILE 111 HD11 ILE 111 10.835 28.736 15.930 572 HD12 ILE 111 HD12 ILE 111 9.932 30.210 16.281 573 HD13 ILE 111 HD13 ILE 111 9.078 28.682 16.064 574 H LEU 112 H LEU 112 13.258 29.543 21.184 575 HA LEU 112 HA LEU 112 13.494 32.435 21.777 576 HB2 LEU 112 HB2 LEU 112 14.622 30.033 23.229 577 HB3 LEU 112 HB3 LEU 112 15.097 31.698 23.565 578 HG LEU 112 HG LEU 112 12.187 30.941 23.560 579 HD11 LEU 112 HD11 LEU 112 13.018 29.339 25.099 580 HD12 LEU 112 HD12 LEU 112 12.527 30.702 26.106 581 HD13 LEU 112 HD13 LEU 112 14.232 30.453 25.728 582 HD21 LEU 112 HD21 LEU 112 11.968 32.885 24.927 583 HD22 LEU 112 HD22 LEU 112 13.098 33.339 23.652 584 HD23 LEU 112 HD23 LEU 112 13.699 32.936 25.260 585 HA PRO 113 HA PRO 113 17.002 31.486 18.980 586 HB2 PRO 113 HB2 PRO 113 16.681 33.448 17.169 587 HB3 PRO 113 HB3 PRO 113 15.669 31.989 17.137 588 HG2 PRO 113 HG2 PRO 113 15.004 34.726 18.035 589 HG3 PRO 113 HG3 PRO 113 13.975 33.496 17.287 590 HD2 PRO 113 HD2 PRO 113 14.131 34.095 20.051 591 HD3 PRO 113 HD3 PRO 113 13.305 32.707 19.313 592 H LEU 114 H LEU 114 18.742 32.067 20.228 593 HA LEU 114 HA LEU 114 19.139 34.907 20.890 594 HB2 LEU 114 HB2 LEU 114 20.644 32.469 21.870 595 HB3 LEU 114 HB3 LEU 114 20.829 34.118 22.464 596 HG LEU 114 HG LEU 114 18.259 32.512 22.590 597 HD11 LEU 114 HD11 LEU 114 20.096 31.679 24.082 598 HD12 LEU 114 HD12 LEU 114 18.708 32.309 24.970 599 HD13 LEU 114 HD13 LEU 114 20.171 33.281 24.814 600 HD21 LEU 114 HD21 LEU 114 17.606 34.768 22.579 601 HD22 LEU 114 HD22 LEU 114 19.064 35.293 23.421 602 HD23 LEU 114 HD23 LEU 114 17.796 34.441 24.302 603 H LYS 115 H LYS 115 20.797 36.091 20.086 604 HA LYS 115 HA LYS 115 22.327 34.922 17.889 605 HB2 LYS 115 HB2 LYS 115 22.052 37.769 18.858 606 HB3 LYS 115 HB3 LYS 115 23.005 37.275 17.458 607 HG2 LYS 115 HG2 LYS 115 20.953 36.262 16.465 608 HG3 LYS 115 HG3 LYS 115 20.021 36.886 17.826 609 HD2 LYS 115 HD2 LYS 115 20.783 39.191 17.238 610 HD3 LYS 115 HD3 LYS 115 21.582 38.527 15.812 611 HE2 LYS 115 HE2 LYS 115 19.255 37.500 15.266 612 HE3 LYS 115 HE3 LYS 115 18.635 38.687 16.413 613 HZ1 LYS 115 HZ1 LYS 115 18.755 39.374 13.992 614 HZ2 LYS 115 HZ2 LYS 115 20.440 39.449 14.199 615 HZ3 LYS 115 HZ3 LYS 115 19.423 40.447 15.124 616 H LYS 116 H LYS 116 22.913 34.817 21.065 617 HA LYS 116 HA LYS 116 25.396 36.035 21.489 618 HB2 LYS 116 HB2 LYS 116 24.260 33.493 22.668 619 HB3 LYS 116 HB3 LYS 116 25.685 34.333 23.283 620 HG2 LYS 116 HG2 LYS 116 24.298 36.384 23.590 621 HG3 LYS 116 HG3 LYS 116 22.879 35.464 23.090 622 HD2 LYS 116 HD2 LYS 116 23.312 33.861 24.956 623 HD3 LYS 116 HD3 LYS 116 24.636 34.896 25.494 624 HE2 LYS 116 HE2 LYS 116 21.724 35.711 25.265 625 HE3 LYS 116 HE3 LYS 116 22.599 35.405 26.765 626 HZ1 LYS 116 HZ1 LYS 116 23.153 37.544 24.785 627 HZ2 LYS 116 HZ2 LYS 116 24.151 37.193 26.114 628 HZ3 LYS 116 HZ3 LYS 116 22.562 37.743 26.362 629 H LEU 117 H LEU 117 24.598 32.967 19.941 630 HA LEU 117 HA LEU 117 27.471 32.383 19.603 631 HB2 LEU 117 HB2 LEU 117 25.958 30.632 20.582 632 HB3 LEU 117 HB3 LEU 117 25.117 30.576 19.031 633 HG LEU 117 HG LEU 117 27.528 30.253 18.045 634 HD11 LEU 117 HD11 LEU 117 28.848 28.824 19.755 635 HD12 LEU 117 HD12 LEU 117 27.842 29.605 20.975 636 HD13 LEU 117 HD13 LEU 117 28.895 30.577 19.946 637 HD21 LEU 117 HD21 LEU 117 25.867 28.199 19.511 638 HD22 LEU 117 HD22 LEU 117 27.302 27.736 18.596 639 HD23 LEU 117 HD23 LEU 117 25.943 28.507 17.777 640 HA PRO 118 HA PRO 118 26.248 34.047 15.452 641 HB2 PRO 118 HB2 PRO 118 28.835 34.680 14.694 642 HB3 PRO 118 HB3 PRO 118 27.734 35.788 15.535 643 HG2 PRO 118 HG2 PRO 118 29.950 34.140 16.625 644 HG3 PRO 118 HG3 PRO 118 29.436 35.781 17.060 645 HD2 PRO 118 HD2 PRO 118 28.822 33.634 18.597 646 HD3 PRO 118 HD3 PRO 118 27.738 35.035 18.453 647 H PHE 119 H PHE 119 26.899 33.325 13.267 648 HA PHE 119 HA PHE 119 28.357 30.762 13.227 649 HB2 PHE 119 HB2 PHE 119 26.610 29.751 11.862 650 HB3 PHE 119 HB3 PHE 119 25.978 30.235 13.425 651 HD1 PHE 119 HD2 PHE 119 24.477 32.199 13.618 652 HD2 PHE 119 HD1 PHE 119 25.859 30.766 9.813 653 HE1 PHE 119 HE2 PHE 119 22.707 33.513 12.482 654 HE2 PHE 119 HE1 PHE 119 24.088 32.078 8.675 655 HZ PHE 119 HZ PHE 119 22.513 33.452 10.010 656 H GLU 120 H GLU 120 29.011 30.106 11.068 657 HA GLU 120 HA GLU 120 28.938 32.216 9.023 658 HB2 GLU 120 HB2 GLU 120 31.463 30.868 10.014 659 HB3 GLU 120 HB3 GLU 120 31.363 31.930 8.608 660 HG2 GLU 120 HG2 GLU 120 30.636 32.716 11.443 661 HG3 GLU 120 HG3 GLU 120 32.136 33.143 10.628 662 H TYR 121 H TYR 121 30.131 28.940 9.768 663 HA TYR 121 HA TYR 121 30.191 27.988 7.125 664 HB2 TYR 121 HB2 TYR 121 31.267 26.857 9.033 665 HB3 TYR 121 HB3 TYR 121 29.686 26.448 9.673 666 HD1 TYR 121 HD1 TYR 121 32.099 25.825 6.936 667 HD2 TYR 121 HD2 TYR 121 28.406 24.619 8.770 668 HE1 TYR 121 HE1 TYR 121 32.104 23.747 5.582 669 HE2 TYR 121 HE2 TYR 121 28.412 22.543 7.415 670 HH TYR 121 HH TYR 121 30.008 21.175 6.190 671 H SER 122 H SER 122 27.606 28.002 9.544 672 HA SER 122 HA SER 122 25.762 26.368 8.225 673 HB2 SER 122 HB2 SER 122 25.162 28.780 9.950 674 HB3 SER 122 HB3 SER 122 24.062 27.454 9.590 675 HG SER 122 HG SER 122 26.359 27.461 11.133 676 H ALA 123 H ALA 123 26.489 29.799 7.778 677 HA ALA 123 HA ALA 123 24.273 30.526 6.229 678 HB1 ALA 123 HB1 ALA 123 27.118 31.529 5.966 679 HB2 ALA 123 HB2 ALA 123 25.933 32.131 7.125 680 HB3 ALA 123 HB3 ALA 123 25.665 32.351 5.396 681 H LEU 124 H LEU 124 23.820 30.442 4.056 682 HA LEU 124 HA LEU 124 25.670 28.891 2.345 683 HB2 LEU 124 HB2 LEU 124 23.581 27.645 3.271 684 HB3 LEU 124 HB3 LEU 124 22.687 28.620 2.102 685 HG LEU 124 HG LEU 124 25.143 27.095 1.261 686 HD11 LEU 124 HD11 LEU 124 22.329 26.001 1.099 687 HD12 LEU 124 HD12 LEU 124 23.422 25.592 2.423 688 HD13 LEU 124 HD13 LEU 124 23.844 25.159 0.766 689 HD21 LEU 124 HD21 LEU 124 23.613 27.069 -0.870 690 HD22 LEU 124 HD22 LEU 124 24.455 28.558 -0.436 691 HD23 LEU 124 HD23 LEU 124 22.746 28.364 -0.042 692 HA PRO 125 HA PRO 125 24.668 33.018 0.377 693 HB2 PRO 125 HB2 PRO 125 27.200 32.256 -1.007 694 HB3 PRO 125 HB3 PRO 125 26.701 33.829 -0.353 695 HG2 PRO 125 HG2 PRO 125 28.499 32.321 0.893 696 HG3 PRO 125 HG3 PRO 125 27.315 33.290 1.789 697 HD2 PRO 125 HD2 PRO 125 27.384 30.338 1.360 698 HD3 PRO 125 HD3 PRO 125 26.762 31.266 2.742 699 H LEU 126 H LEU 126 22.973 32.476 -0.934 700 HA LEU 126 HA LEU 126 23.405 30.537 -3.102 701 HB2 LEU 126 HB2 LEU 126 21.424 30.295 -1.593 702 HB3 LEU 126 HB3 LEU 126 20.828 31.841 -2.197 703 HG LEU 126 HG LEU 126 20.989 30.858 -4.536 704 HD11 LEU 126 HD11 LEU 126 20.837 28.280 -4.465 705 HD12 LEU 126 HD12 LEU 126 21.545 28.413 -2.855 706 HD13 LEU 126 HD13 LEU 126 22.433 29.001 -4.260 707 HD21 LEU 126 HD21 LEU 126 18.858 29.686 -4.334 708 HD22 LEU 126 HD22 LEU 126 18.861 31.063 -3.232 709 HD23 LEU 126 HD23 LEU 126 19.126 29.435 -2.609 710 H LEU 127 H LEU 127 23.707 31.188 -5.136 711 HA LEU 127 HA LEU 127 24.008 33.900 -5.830 712 HB2 LEU 127 HB2 LEU 127 23.562 31.532 -7.661 713 HB3 LEU 127 HB3 LEU 127 24.228 33.094 -8.132 714 HG LEU 127 HG LEU 127 25.463 31.244 -6.070 715 HD11 LEU 127 HD11 LEU 127 26.243 31.831 -8.943 716 HD12 LEU 127 HD12 LEU 127 25.605 30.303 -8.337 717 HD13 LEU 127 HD13 LEU 127 27.190 30.868 -7.810 718 HD21 LEU 127 HD21 LEU 127 26.092 33.501 -5.582 719 HD22 LEU 127 HD22 LEU 127 26.292 33.889 -7.291 720 HD23 LEU 127 HD23 LEU 127 27.440 32.818 -6.490 721 H GLY 128 H GLY 128 21.308 31.655 -6.278 722 HA2 GLY 128 HA2 GLY 128 19.706 33.199 -7.966 723 HA3 GLY 128 HA3 GLY 128 19.097 32.024 -6.804 724 H SER 129 H SER 129 18.206 34.798 -7.647 725 HA SER 129 HA SER 129 18.067 35.995 -4.937 726 HB2 SER 129 HB2 SER 129 18.071 37.431 -7.603 727 HB3 SER 129 HB3 SER 129 17.915 38.189 -6.022 728 HG SER 129 HG SER 129 20.092 36.812 -7.079 729 H ALA 130 H ALA 130 16.095 36.901 -4.317 730 HA ALA 130 HA ALA 130 13.770 36.244 -6.034 731 HB1 ALA 130 HB1 ALA 130 12.516 35.805 -3.933 732 HB2 ALA 130 HB2 ALA 130 14.013 36.010 -3.024 733 HB3 ALA 130 HB3 ALA 130 13.854 34.680 -4.172 734 HA PRO 131 HA PRO 131 13.638 40.716 -4.925 735 HB2 PRO 131 HB2 PRO 131 13.132 41.746 -7.372 736 HB3 PRO 131 HB3 PRO 131 14.770 41.292 -6.863 737 HG2 PRO 131 HG2 PRO 131 12.885 39.865 -8.652 738 HG3 PRO 131 HG3 PRO 131 14.650 39.999 -8.739 739 HD2 PRO 131 HD2 PRO 131 13.271 37.797 -7.735 740 HD3 PRO 131 HD3 PRO 131 14.974 38.175 -7.401 741 H LEU 132 H LEU 132 11.690 40.302 -3.760 742 HA LEU 132 HA LEU 132 9.177 39.758 -4.863 743 HB2 LEU 132 HB2 LEU 132 9.735 39.676 -2.434 744 HB3 LEU 132 HB3 LEU 132 9.751 41.440 -2.413 745 HG LEU 132 HG LEU 132 7.386 41.373 -3.324 746 HD11 LEU 132 HD11 LEU 132 7.236 39.181 -4.240 747 HD12 LEU 132 HD12 LEU 132 6.217 39.146 -2.799 748 HD13 LEU 132 HD13 LEU 132 7.832 38.438 -2.755 749 HD21 LEU 132 HD21 LEU 132 6.394 40.818 -1.122 750 HD22 LEU 132 HD22 LEU 132 7.858 41.783 -0.939 751 HD23 LEU 132 HD23 LEU 132 7.905 40.046 -0.643 752 H VAL 133 H VAL 133 10.864 42.834 -4.410 753 HA VAL 133 HA VAL 133 8.734 44.571 -5.004 754 HB VAL 133 HB VAL 133 11.689 44.943 -5.563 755 HG11 VAL 133 HG11 VAL 133 10.134 46.566 -6.705 756 HG12 VAL 133 HG12 VAL 133 11.219 47.317 -5.536 757 HG13 VAL 133 HG13 VAL 133 9.532 47.025 -5.112 758 HG21 VAL 133 HG21 VAL 133 10.025 45.734 -3.154 759 HG22 VAL 133 HG22 VAL 133 11.752 46.017 -3.367 760 HG23 VAL 133 HG23 VAL 133 11.143 44.370 -3.199 761 H ALA 134 H ALA 134 11.017 42.866 -7.113 762 HA ALA 134 HA ALA 134 10.434 44.123 -9.534 763 HB1 ALA 134 HB1 ALA 134 11.261 42.088 -10.604 764 HB2 ALA 134 HB2 ALA 134 11.091 41.203 -9.087 765 HB3 ALA 134 HB3 ALA 134 12.272 42.507 -9.221 766 H ALA 135 H ALA 135 8.597 41.685 -7.772 767 HA ALA 135 HA ALA 135 6.956 40.783 -9.874 768 HB1 ALA 135 HB1 ALA 135 5.912 41.070 -7.077 769 HB2 ALA 135 HB2 ALA 135 7.215 39.930 -7.414 770 HB3 ALA 135 HB3 ALA 135 5.662 39.761 -8.232 771 H GLY 136 H GLY 136 5.442 41.773 -11.014 772 HA2 GLY 136 HA2 GLY 136 4.672 44.460 -10.633 773 HA3 GLY 136 HA3 GLY 136 3.877 43.311 -11.702 774 H GLY 137 H GLY 137 3.205 41.423 -9.587 775 HA2 GLY 137 HA2 GLY 137 0.633 42.246 -8.958 776 HA3 GLY 137 HA3 GLY 137 1.508 40.987 -8.096 777 H VAL 138 H VAL 138 3.619 42.716 -7.125 778 HA VAL 138 HA VAL 138 2.101 44.320 -5.144 779 HB VAL 138 HB VAL 138 4.788 42.964 -4.790 780 HG11 VAL 138 HG11 VAL 138 4.429 43.547 -2.404 781 HG12 VAL 138 HG12 VAL 138 2.952 44.403 -2.849 782 HG13 VAL 138 HG13 VAL 138 4.515 44.986 -3.421 783 HG21 VAL 138 HG21 VAL 138 2.051 42.227 -3.702 784 HG22 VAL 138 HG22 VAL 138 3.567 41.417 -3.307 785 HG23 VAL 138 HG23 VAL 138 2.927 41.339 -4.948 786 H ALA 139 H ALA 139 2.609 46.426 -4.932 787 HA ALA 139 HA ALA 139 5.142 47.435 -5.993 788 HB1 ALA 139 HB1 ALA 139 3.948 49.213 -7.280 789 HB2 ALA 139 HB2 ALA 139 2.433 48.365 -6.971 790 HB3 ALA 139 HB3 ALA 139 3.696 47.592 -7.930 791 H GLY 140 H GLY 140 5.649 49.571 -5.266 792 HA2 GLY 140 HA2 GLY 140 4.592 51.530 -3.986 793 HA3 GLY 140 HA3 GLY 140 4.230 50.299 -2.780 794 H HIS 141 H HIS 141 6.305 52.709 -3.438 795 HA HIS 141 HA HIS 141 8.568 51.397 -2.037 796 HB2 HIS 141 HB2 HIS 141 8.646 53.707 -3.983 797 HB3 HIS 141 HB3 HIS 141 10.026 53.032 -3.140 798 HD1 HIS 141 HD1 HIS 141 10.546 50.422 -3.762 799 HD2 HIS 141 HD2 HIS 141 8.096 52.513 -6.409 800 HE1 HIS 141 HE1 HIS 141 10.532 49.099 -5.920 801 H THR 142 H THR 142 9.131 52.243 -0.127 802 HA THR 142 HA THR 142 7.612 54.246 1.148 803 HB THR 142 HB THR 142 10.412 53.335 1.854 804 HG1 THR 142 HG1 THR 142 7.930 52.309 2.589 805 HG21 THR 142 HG21 THR 142 8.166 54.613 3.435 806 HG22 THR 142 HG22 THR 142 9.754 55.304 3.099 807 HG23 THR 142 HG23 THR 142 9.607 53.908 4.167 808 H ASN 143 H ASN 143 10.707 54.369 -0.565 809 HA ASN 143 HA ASN 143 10.748 57.307 -0.215 810 HB2 ASN 143 HB2 ASN 143 13.145 57.196 -0.575 811 HB3 ASN 143 HB3 ASN 143 12.691 56.102 0.727 812 HD21 ASN 143 HD21 ASN 143 15.120 55.709 -0.695 813 HD22 ASN 143 HD22 ASN 143 14.989 54.290 -1.617 814 H GLY 144 H GLY 144 11.530 58.570 -2.030 815 HA2 GLY 144 HA2 GLY 144 11.208 57.283 -4.666 816 HA3 GLY 144 HA3 GLY 144 10.288 58.735 -4.285 817 H SER 145 H SER 145 13.627 57.997 -3.363 818 HA SER 145 HA SER 145 14.578 60.561 -4.106 819 HB2 SER 145 HB2 SER 145 16.136 58.009 -3.625 820 HB3 SER 145 HB3 SER 145 16.808 59.636 -3.663 821 HG SER 145 HG SER 145 15.223 58.428 -1.777 822 H GLY 146 H GLY 146 16.081 61.111 -5.768 823 HA2 GLY 146 HA2 GLY 146 17.084 60.983 -7.851 824 HA3 GLY 146 HA3 GLY 146 16.629 59.286 -7.929 825 H SER 147 H SER 147 14.299 61.863 -7.340 826 HA SER 147 HA SER 147 12.569 61.025 -9.407 827 HB2 SER 147 HB2 SER 147 11.288 63.016 -8.908 828 HB3 SER 147 HB3 SER 147 11.884 62.335 -7.399 829 HG SER 147 HG SER 147 12.360 64.709 -8.440 830 H GLU 148 H GLU 148 15.127 63.458 -9.326 831 HA GLU 148 HA GLU 148 14.591 64.080 -12.171 832 HB2 GLU 148 HB2 GLU 148 14.508 65.992 -10.555 833 HB3 GLU 148 HB3 GLU 148 16.207 65.692 -10.186 834 HG2 GLU 148 HG2 GLU 148 16.748 65.978 -12.600 835 HG3 GLU 148 HG3 GLU 148 15.063 66.372 -12.908 836 H ASN 149 H ASN 149 16.133 63.704 -13.671 837 HA ASN 149 HA ASN 149 18.666 62.487 -12.745 838 HB2 ASN 149 HB2 ASN 149 17.207 62.243 -15.387 839 HB3 ASN 149 HB3 ASN 149 18.766 61.506 -15.025 840 HD21 ASN 149 HD21 ASN 149 16.372 59.986 -15.682 841 HD22 ASN 149 HD22 ASN 149 15.971 59.063 -14.315 842 H LEU 150 H LEU 150 20.472 63.626 -13.006 843 HA LEU 150 HA LEU 150 20.531 66.216 -14.109 844 HB2 LEU 150 HB2 LEU 150 22.849 64.329 -13.631 845 HB3 LEU 150 HB3 LEU 150 22.960 66.076 -13.843 846 HG LEU 150 HG LEU 150 21.414 64.700 -11.625 847 HD11 LEU 150 HD11 LEU 150 24.160 65.958 -11.744 848 HD12 LEU 150 HD12 LEU 150 23.722 64.352 -11.160 849 HD13 LEU 150 HD13 LEU 150 23.280 65.781 -10.226 850 HD21 LEU 150 HD21 LEU 150 21.608 67.136 -10.711 851 HD22 LEU 150 HD22 LEU 150 20.398 66.803 -11.951 852 HD23 LEU 150 HD23 LEU 150 21.924 67.573 -12.391 853 H TYR 151 H TYR 151 21.335 63.066 -15.496 854 HA TYR 151 HA TYR 151 22.676 63.917 -17.799 855 HB2 TYR 151 HB2 TYR 151 22.522 61.570 -17.038 856 HB3 TYR 151 HB3 TYR 151 20.830 61.546 -17.497 857 HD1 TYR 151 HD1 TYR 151 24.305 61.734 -18.755 858 HD2 TYR 151 HD2 TYR 151 20.161 61.301 -19.798 859 HE1 TYR 151 HE1 TYR 151 24.954 61.063 -21.052 860 HE2 TYR 151 HE2 TYR 151 20.810 60.630 -22.095 861 HH TYR 151 HH TYR 151 23.711 59.638 -22.949 862 H PHE 152 H PHE 152 19.210 63.538 -17.169 863 HA PHE 152 HA PHE 152 18.610 64.593 -19.853 864 HB2 PHE 152 HB2 PHE 152 17.482 62.513 -19.102 865 HB3 PHE 152 HB3 PHE 152 16.757 63.411 -17.782 866 HD1 PHE 152 HD1 PHE 152 16.837 62.954 -21.452 867 HD2 PHE 152 HD2 PHE 152 14.869 64.867 -18.147 868 HE1 PHE 152 HE1 PHE 152 14.957 63.591 -22.939 869 HE2 PHE 152 HE2 PHE 152 12.989 65.502 -19.634 870 HZ PHE 152 HZ PHE 152 13.032 64.864 -22.030 871 H GLN 153 H GLN 153 17.847 66.599 -20.146 872 HA GLN 153 HA GLN 153 17.832 68.470 -17.994 873 HB2 GLN 153 HB2 GLN 153 18.382 69.042 -20.363 874 HB3 GLN 153 HB3 GLN 153 16.682 68.810 -20.774 875 HG2 GLN 153 HG2 GLN 153 16.963 71.156 -20.388 876 HG3 GLN 153 HG3 GLN 153 16.130 70.517 -18.972 877 HE21 GLN 153 HE21 GLN 153 16.947 71.781 -17.269 878 HE22 GLN 153 HE22 GLN 153 18.601 71.981 -16.941 Start of MODEL 5 1 H1 MET 39 HT1 MET 39 48.512 15.291 35.476 2 H2 MET 39 HT2 MET 39 47.381 16.546 35.304 3 H3 MET 39 HT3 MET 39 47.498 15.701 36.773 4 HA MET 39 HA MET 39 49.910 16.524 36.818 5 HB2 MET 39 HB2 MET 39 49.658 17.361 34.412 6 HB3 MET 39 HB3 MET 39 48.674 18.666 35.077 7 HG2 MET 39 HG2 MET 39 50.581 19.223 36.620 8 HG3 MET 39 HG3 MET 39 51.560 18.037 35.756 9 HE1 MET 39 HE1 MET 39 52.154 19.164 32.398 10 HE2 MET 39 HE2 MET 39 50.447 18.728 32.450 11 HE3 MET 39 HE3 MET 39 51.609 17.831 33.424 12 H ASN 40 H ASN 40 50.103 17.665 38.670 13 HA ASN 40 HA ASN 40 47.885 18.331 40.224 14 HB2 ASN 40 HB2 ASN 40 50.727 19.350 40.399 15 HB3 ASN 40 HB3 ASN 40 49.509 19.561 41.655 16 HD21 ASN 40 HD21 ASN 40 51.985 18.051 42.006 17 HD22 ASN 40 HD22 ASN 40 51.545 16.438 42.303 18 H GLY 41 H GLY 41 49.816 20.345 38.049 19 HA2 GLY 41 HA2 GLY 41 47.896 22.566 38.487 20 HA3 GLY 41 HA3 GLY 41 49.601 22.813 38.126 21 H GLU 42 H GLU 42 46.546 22.707 36.813 22 HA GLU 42 HA GLU 42 47.539 22.070 34.100 23 HB2 GLU 42 HB2 GLU 42 45.585 20.765 34.959 24 HB3 GLU 42 HB3 GLU 42 44.677 22.274 35.063 25 HG2 GLU 42 HG2 GLU 42 45.084 22.645 32.633 26 HG3 GLU 42 HG3 GLU 42 45.889 21.084 32.553 27 H ASN 43 H ASN 43 47.756 23.675 32.664 28 HA ASN 43 HA ASN 43 46.014 25.981 32.710 29 HB2 ASN 43 HB2 ASN 43 47.856 26.427 34.422 30 HB3 ASN 43 HB3 ASN 43 48.953 26.531 33.047 31 HD21 ASN 43 HD21 ASN 43 49.249 28.864 33.584 32 HD22 ASN 43 HD22 ASN 43 48.056 29.986 33.138 33 H TYR 44 H TYR 44 47.325 23.765 30.870 34 HA TYR 44 HA TYR 44 48.693 25.200 28.833 35 HB2 TYR 44 HB2 TYR 44 48.469 23.217 27.511 36 HB3 TYR 44 HB3 TYR 44 48.840 22.753 29.158 37 HD1 TYR 44 HD2 TYR 44 47.129 21.673 30.573 38 HD2 TYR 44 HD1 TYR 44 46.349 22.694 26.474 39 HE1 TYR 44 HE2 TYR 44 45.141 20.191 30.581 40 HE2 TYR 44 HE1 TYR 44 44.362 21.211 26.482 41 HH TYR 44 HH TYR 44 43.677 19.098 27.974 42 H PHE 45 H PHE 45 45.292 24.438 29.378 43 HA PHE 45 HA PHE 45 44.288 25.095 26.842 44 HB2 PHE 45 HB2 PHE 45 42.145 25.358 27.938 45 HB3 PHE 45 HB3 PHE 45 42.984 23.959 28.581 46 HD1 PHE 45 HD2 PHE 45 43.986 24.037 30.857 47 HD2 PHE 45 HD1 PHE 45 41.621 27.264 29.297 48 HE1 PHE 45 HE2 PHE 45 43.714 24.945 33.149 49 HE2 PHE 45 HE1 PHE 45 41.348 28.173 31.589 50 HZ PHE 45 HZ PHE 45 42.395 27.013 33.514 51 H LYS 46 H LYS 46 45.102 27.149 29.601 52 HA LYS 46 HA LYS 46 43.811 29.502 28.813 53 HB2 LYS 46 HB2 LYS 46 44.915 29.134 31.018 54 HB3 LYS 46 HB3 LYS 46 46.482 29.287 30.222 55 HG2 LYS 46 HG2 LYS 46 45.830 31.557 29.435 56 HG3 LYS 46 HG3 LYS 46 44.316 31.407 30.327 57 HD2 LYS 46 HD2 LYS 46 45.649 31.044 32.420 58 HD3 LYS 46 HD3 LYS 46 47.112 31.382 31.495 59 HE2 LYS 46 HE2 LYS 46 44.799 33.318 31.541 60 HE3 LYS 46 HE3 LYS 46 46.057 33.354 32.776 61 HZ1 LYS 46 HZ1 LYS 46 46.441 34.834 30.818 62 HZ2 LYS 46 HZ2 LYS 46 46.631 33.437 29.870 63 HZ3 LYS 46 HZ3 LYS 46 47.704 33.751 31.148 64 H LEU 47 H LEU 47 46.987 28.213 27.907 65 HA LEU 47 HA LEU 47 47.866 30.473 26.447 66 HB2 LEU 47 HB2 LEU 47 48.600 27.549 26.310 67 HB3 LEU 47 HB3 LEU 47 49.376 28.772 25.304 68 HG LEU 47 HG LEU 47 49.729 30.040 27.565 69 HD11 LEU 47 HD11 LEU 47 48.500 28.766 29.111 70 HD12 LEU 47 HD12 LEU 47 50.153 28.210 29.371 71 HD13 LEU 47 HD13 LEU 47 49.035 27.236 28.417 72 HD21 LEU 47 HD21 LEU 47 51.247 27.535 26.778 73 HD22 LEU 47 HD22 LEU 47 51.846 28.729 27.930 74 HD23 LEU 47 HD23 LEU 47 51.578 29.184 26.247 75 H GLY 48 H GLY 48 45.981 27.624 25.527 76 HA2 GLY 48 HA2 GLY 48 46.024 27.939 22.744 77 HA3 GLY 48 HA3 GLY 48 44.734 27.159 23.652 78 H SER 49 H SER 49 43.971 29.453 25.196 79 HA SER 49 HA SER 49 42.033 30.573 23.516 80 HB2 SER 49 HB2 SER 49 43.132 31.736 26.083 81 HB3 SER 49 HB3 SER 49 41.584 32.124 25.338 82 HG SER 49 HG SER 49 42.314 29.971 26.795 83 H ASP 50 H ASP 50 45.279 31.689 24.319 84 HA ASP 50 HA ASP 50 45.084 34.357 23.532 85 HB2 ASP 50 HB2 ASP 50 47.426 32.455 23.338 86 HB3 ASP 50 HB3 ASP 50 47.541 34.199 23.125 87 H SER 51 H SER 51 45.586 31.452 21.575 88 HA SER 51 HA SER 51 45.495 33.145 19.138 89 HB2 SER 51 HB2 SER 51 46.860 30.470 19.519 90 HB3 SER 51 HB3 SER 51 46.808 31.400 18.026 91 HG SER 51 HG SER 51 48.196 32.749 18.882 92 H LYS 52 H LYS 52 44.173 32.529 17.469 93 HA LYS 52 HA LYS 52 42.453 30.155 17.899 94 HB2 LYS 52 HB2 LYS 52 41.621 32.890 16.897 95 HB3 LYS 52 HB3 LYS 52 40.589 31.459 16.897 96 HG2 LYS 52 HG2 LYS 52 40.900 31.279 19.366 97 HG3 LYS 52 HG3 LYS 52 41.822 32.782 19.331 98 HD2 LYS 52 HD2 LYS 52 39.843 33.923 18.319 99 HD3 LYS 52 HD3 LYS 52 38.925 32.429 18.510 100 HE2 LYS 52 HE2 LYS 52 39.720 32.587 21.009 101 HE3 LYS 52 HE3 LYS 52 39.968 34.290 20.625 102 HZ1 LYS 52 HZ1 LYS 52 37.759 33.964 21.474 103 HZ2 LYS 52 HZ2 LYS 52 37.442 32.759 20.318 104 HZ3 LYS 52 HZ3 LYS 52 37.661 34.371 19.830 105 H LEU 53 H LEU 53 42.368 28.800 16.213 106 HA LEU 53 HA LEU 53 44.006 29.143 13.942 107 HB2 LEU 53 HB2 LEU 53 41.654 27.270 14.307 108 HB3 LEU 53 HB3 LEU 53 42.922 27.116 13.091 109 HG LEU 53 HG LEU 53 43.398 27.090 16.087 110 HD11 LEU 53 HD11 LEU 53 43.893 24.665 15.693 111 HD12 LEU 53 HD12 LEU 53 43.290 24.849 14.046 112 HD13 LEU 53 HD13 LEU 53 42.201 25.079 15.414 113 HD21 LEU 53 HD21 LEU 53 45.403 27.821 15.089 114 HD22 LEU 53 HD22 LEU 53 45.156 26.830 13.651 115 HD23 LEU 53 HD23 LEU 53 45.623 26.073 15.173 116 H LEU 54 H LEU 54 40.541 29.664 14.451 117 HA LEU 54 HA LEU 54 40.337 30.747 11.704 118 HB2 LEU 54 HB2 LEU 54 38.836 28.826 12.341 119 HB3 LEU 54 HB3 LEU 54 38.086 29.885 13.533 120 HG LEU 54 HG LEU 54 37.580 31.502 11.663 121 HD11 LEU 54 HD11 LEU 54 37.577 30.346 9.357 122 HD12 LEU 54 HD12 LEU 54 38.707 29.194 10.069 123 HD13 LEU 54 HD13 LEU 54 39.135 30.902 9.968 124 HD21 LEU 54 HD21 LEU 54 35.682 30.193 10.812 125 HD22 LEU 54 HD22 LEU 54 35.905 29.881 12.533 126 HD23 LEU 54 HD23 LEU 54 36.454 28.699 11.345 127 H THR 55 H THR 55 40.048 32.867 11.456 128 HA THR 55 HA THR 55 40.338 34.636 13.620 129 HB THR 55 HB THR 55 41.020 35.242 11.361 130 HG1 THR 55 HG1 THR 55 40.612 37.058 12.331 131 HG21 THR 55 HG21 THR 55 39.465 35.614 9.585 132 HG22 THR 55 HG22 THR 55 38.084 35.461 10.671 133 HG23 THR 55 HG23 THR 55 39.052 34.043 10.271 134 H HIS 56 H HIS 56 37.435 33.675 11.803 135 HA HIS 56 HA HIS 56 35.793 35.143 13.791 136 HB2 HIS 56 HB2 HIS 56 35.189 34.395 10.929 137 HB3 HIS 56 HB3 HIS 56 34.024 35.095 12.037 138 HD1 HIS 56 HD1 HIS 56 36.150 36.070 9.396 139 HD2 HIS 56 HD2 HIS 56 35.281 37.737 13.117 140 HE1 HIS 56 HE1 HIS 56 36.805 38.510 9.257 141 H ASN 57 H ASN 57 34.322 34.039 14.960 142 HA ASN 57 HA ASN 57 33.675 31.271 14.192 143 HB2 ASN 57 HB2 ASN 57 35.593 31.363 15.868 144 HB3 ASN 57 HB3 ASN 57 34.426 32.010 17.019 145 HD21 ASN 57 HD21 ASN 57 34.728 29.999 18.311 146 HD22 ASN 57 HD22 ASN 57 33.955 28.566 17.829 147 H SER 58 H SER 58 31.541 31.549 13.811 148 HA SER 58 HA SER 58 29.899 32.652 16.022 149 HB2 SER 58 HB2 SER 58 29.355 32.841 13.048 150 HB3 SER 58 HB3 SER 58 28.302 33.431 14.329 151 HG SER 58 HG SER 58 30.374 34.618 13.250 152 H TYR 59 H TYR 59 28.106 31.504 16.607 153 HA TYR 59 HA TYR 59 27.557 28.987 15.140 154 HB2 TYR 59 HB2 TYR 59 27.522 29.423 18.129 155 HB3 TYR 59 HB3 TYR 59 27.049 27.947 17.308 156 HD1 TYR 59 HD2 TYR 59 28.782 26.615 16.057 157 HD2 TYR 59 HD1 TYR 59 29.799 29.942 18.578 158 HE1 TYR 59 HE2 TYR 59 31.135 25.836 16.136 159 HE2 TYR 59 HE1 TYR 59 32.153 29.162 18.657 160 HH TYR 59 HH TYR 59 33.266 26.699 18.271 161 H GLN 60 H GLN 60 25.474 28.615 14.644 162 HA GLN 60 HA GLN 60 23.449 30.499 15.685 163 HB2 GLN 60 HB2 GLN 60 23.448 28.732 13.225 164 HB3 GLN 60 HB3 GLN 60 22.099 29.751 13.731 165 HG2 GLN 60 HG2 GLN 60 23.493 31.750 13.541 166 HG3 GLN 60 HG3 GLN 60 24.893 30.763 13.130 167 HE21 GLN 60 HE21 GLN 60 23.930 32.799 11.363 168 HE22 GLN 60 HE22 GLN 60 23.318 32.048 9.969 169 H ASN 61 H ASN 61 22.294 29.722 17.331 170 HA ASN 61 HA ASN 61 21.376 26.918 17.223 171 HB2 ASN 61 HB2 ASN 61 22.579 28.310 19.626 172 HB3 ASN 61 HB3 ASN 61 21.765 26.748 19.675 173 HD21 ASN 61 HD21 ASN 61 24.602 27.215 20.319 174 HD22 ASN 61 HD22 ASN 61 25.505 26.313 19.201 175 H ARG 62 H ARG 62 19.328 26.571 17.967 176 HA ARG 62 HA ARG 62 17.879 28.864 19.157 177 HB2 ARG 62 HB2 ARG 62 16.860 26.949 17.043 178 HB3 ARG 62 HB3 ARG 62 15.888 28.173 17.859 179 HG2 ARG 62 HG2 ARG 62 17.438 29.928 17.007 180 HG3 ARG 62 HG3 ARG 62 18.316 28.683 16.117 181 HD2 ARG 62 HD2 ARG 62 16.144 28.087 14.978 182 HD3 ARG 62 HD3 ARG 62 15.426 29.504 15.738 183 HE ARG 62 HE ARG 62 17.366 29.480 13.561 184 HH11 ARG 62 HH11 ARG 62 15.711 31.422 15.973 185 HH12 ARG 62 HH12 ARG 62 16.029 32.906 15.140 186 HH21 ARG 62 HH21 ARG 62 17.746 31.423 12.535 187 HH22 ARG 62 HH22 ARG 62 17.167 32.906 13.218 188 H LEU 63 H LEU 63 16.534 28.366 20.849 189 HA LEU 63 HA LEU 63 16.545 25.541 21.734 190 HB2 LEU 63 HB2 LEU 63 17.567 27.237 23.256 191 HB3 LEU 63 HB3 LEU 63 15.996 28.032 23.362 192 HG LEU 63 HG LEU 63 15.045 25.804 24.128 193 HD11 LEU 63 HD11 LEU 63 17.983 25.174 24.024 194 HD12 LEU 63 HD12 LEU 63 16.619 24.189 23.498 195 HD13 LEU 63 HD13 LEU 63 16.957 24.381 25.218 196 HD21 LEU 63 HD21 LEU 63 15.360 27.458 25.805 197 HD22 LEU 63 HD22 LEU 63 17.117 27.323 25.718 198 HD23 LEU 63 HD23 LEU 63 16.168 26.024 26.440 199 H PHE 64 H PHE 64 14.700 24.441 21.587 200 HA PHE 64 HA PHE 64 12.187 25.903 21.179 201 HB2 PHE 64 HB2 PHE 64 12.870 22.975 20.902 202 HB3 PHE 64 HB3 PHE 64 11.283 23.659 20.609 203 HD1 PHE 64 HD1 PHE 64 10.921 25.199 18.684 204 HD2 PHE 64 HD2 PHE 64 14.655 23.171 19.313 205 HE1 PHE 64 HE1 PHE 64 11.580 25.684 16.342 206 HE2 PHE 64 HE2 PHE 64 15.314 23.656 16.972 207 HZ PHE 64 HZ PHE 64 13.776 24.913 15.486 208 H TYR 65 H TYR 65 10.700 26.108 22.750 209 HA TYR 65 HA TYR 65 10.790 24.212 25.034 210 HB2 TYR 65 HB2 TYR 65 11.501 26.625 25.502 211 HB3 TYR 65 HB3 TYR 65 9.833 27.066 25.184 212 HD1 TYR 65 HD2 TYR 65 12.102 25.212 27.430 213 HD2 TYR 65 HD1 TYR 65 8.083 26.586 26.790 214 HE1 TYR 65 HE2 TYR 65 11.539 24.654 29.778 215 HE2 TYR 65 HE1 TYR 65 7.518 26.026 29.140 216 HH TYR 65 HH TYR 65 8.325 25.214 31.070 217 H THR 66 H THR 66 8.799 23.442 25.769 218 HA THR 66 HA THR 66 6.533 23.951 23.923 219 HB THR 66 HB THR 66 7.085 21.461 25.552 220 HG1 THR 66 HG1 THR 66 7.506 21.992 22.853 221 HG21 THR 66 HG21 THR 66 4.981 22.323 23.595 222 HG22 THR 66 HG22 THR 66 4.798 21.443 25.111 223 HG23 THR 66 HG23 THR 66 5.433 20.621 23.685 224 H LEU 67 H LEU 67 4.535 24.358 24.731 225 HA LEU 67 HA LEU 67 4.353 25.147 27.521 226 HB2 LEU 67 HB2 LEU 67 2.422 25.307 25.198 227 HB3 LEU 67 HB3 LEU 67 2.055 25.904 26.814 228 HG LEU 67 HG LEU 67 4.464 26.799 25.209 229 HD11 LEU 67 HD11 LEU 67 2.707 27.678 23.946 230 HD12 LEU 67 HD12 LEU 67 2.970 28.963 25.124 231 HD13 LEU 67 HD13 LEU 67 1.641 27.824 25.344 232 HD21 LEU 67 HD21 LEU 67 4.912 27.290 27.452 233 HD22 LEU 67 HD22 LEU 67 3.211 27.545 27.839 234 HD23 LEU 67 HD23 LEU 67 4.098 28.763 26.926 235 H LYS 68 H LYS 68 3.468 23.988 29.097 236 HA LYS 68 HA LYS 68 1.786 21.653 28.402 237 HB2 LYS 68 HB2 LYS 68 4.094 20.979 29.075 238 HB3 LYS 68 HB3 LYS 68 3.834 21.775 30.628 239 HG2 LYS 68 HG2 LYS 68 1.951 20.298 31.114 240 HG3 LYS 68 HG3 LYS 68 2.101 19.544 29.525 241 HD2 LYS 68 HD2 LYS 68 3.192 18.102 31.129 242 HD3 LYS 68 HD3 LYS 68 4.446 18.868 30.152 243 HE2 LYS 68 HE2 LYS 68 4.994 20.414 31.878 244 HE3 LYS 68 HE3 LYS 68 3.534 20.028 32.789 245 HZ1 LYS 68 HZ1 LYS 68 6.041 18.556 32.585 246 HZ2 LYS 68 HZ2 LYS 68 4.617 17.633 32.669 247 HZ3 LYS 68 HZ3 LYS 68 4.993 18.735 33.906 248 H THR 69 H THR 69 0.073 21.218 29.790 249 HA THR 69 HA THR 69 -1.239 23.363 30.958 250 HB THR 69 HB THR 69 -2.384 21.293 30.360 251 HG1 THR 69 HG1 THR 69 -3.654 22.005 31.835 252 HG21 THR 69 HG21 THR 69 -2.101 19.258 31.635 253 HG22 THR 69 HG22 THR 69 -1.009 20.063 32.762 254 HG23 THR 69 HG23 THR 69 -0.508 19.786 31.095 255 H GLY 70 H GLY 70 -1.246 24.338 32.896 256 HA2 GLY 70 HA2 GLY 70 -0.972 24.277 35.308 257 HA3 GLY 70 HA3 GLY 70 0.378 23.175 35.079 258 H GLU 71 H GLU 71 1.420 24.828 32.787 259 HA GLU 71 HA GLU 71 2.654 26.962 34.421 260 HB2 GLU 71 HB2 GLU 71 4.152 25.191 33.463 261 HB3 GLU 71 HB3 GLU 71 3.684 25.737 31.853 262 HG2 GLU 71 HG2 GLU 71 4.477 28.026 32.437 263 HG3 GLU 71 HG3 GLU 71 5.025 27.415 33.992 264 H THR 72 H THR 72 2.760 29.052 33.651 265 HA THR 72 HA THR 72 1.129 29.646 31.246 266 HB THR 72 HB THR 72 0.621 31.799 32.262 267 HG1 THR 72 HG1 THR 72 2.122 32.380 33.586 268 HG21 THR 72 HG21 THR 72 -0.919 31.040 33.851 269 HG22 THR 72 HG22 THR 72 0.183 29.810 34.472 270 HG23 THR 72 HG23 THR 72 -0.603 29.582 32.909 271 H VAL 73 H VAL 73 1.795 31.623 30.068 272 HA VAL 73 HA VAL 73 4.462 31.446 29.228 273 HB VAL 73 HB VAL 73 2.573 33.798 28.943 274 HG11 VAL 73 HG11 VAL 73 5.025 32.968 27.359 275 HG12 VAL 73 HG12 VAL 73 4.888 34.390 28.394 276 HG13 VAL 73 HG13 VAL 73 3.931 34.280 26.917 277 HG21 VAL 73 HG21 VAL 73 1.484 31.874 28.039 278 HG22 VAL 73 HG22 VAL 73 2.984 31.270 27.333 279 HG23 VAL 73 HG23 VAL 73 2.207 32.703 26.660 280 H ALA 74 H ALA 74 2.904 33.720 31.477 281 HA ALA 74 HA ALA 74 5.142 35.380 31.891 282 HB1 ALA 74 HB1 ALA 74 3.882 36.410 33.507 283 HB2 ALA 74 HB2 ALA 74 3.260 34.889 34.150 284 HB3 ALA 74 HB3 ALA 74 2.596 35.553 32.657 285 H ASP 75 H ASP 75 4.115 32.382 33.489 286 HA ASP 75 HA ASP 75 5.936 32.472 35.640 287 HB2 ASP 75 HB2 ASP 75 4.701 30.104 34.220 288 HB3 ASP 75 HB3 ASP 75 5.587 30.003 35.738 289 H LEU 76 H LEU 76 6.197 31.000 32.415 290 HA LEU 76 HA LEU 76 8.727 29.826 32.747 291 HB2 LEU 76 HB2 LEU 76 7.193 29.377 30.839 292 HB3 LEU 76 HB3 LEU 76 7.557 30.981 30.203 293 HG LEU 76 HG LEU 76 10.016 30.294 30.238 294 HD11 LEU 76 HD11 LEU 76 10.365 27.802 30.152 295 HD12 LEU 76 HD12 LEU 76 8.704 27.603 30.710 296 HD13 LEU 76 HD13 LEU 76 9.892 28.399 31.742 297 HD21 LEU 76 HD21 LEU 76 8.919 30.380 28.123 298 HD22 LEU 76 HD22 LEU 76 7.966 28.939 28.476 299 HD23 LEU 76 HD23 LEU 76 9.699 28.799 28.177 300 H SER 77 H SER 77 7.796 33.059 31.629 301 HA SER 77 HA SER 77 10.351 33.968 30.897 302 HB2 SER 77 HB2 SER 77 8.153 35.096 30.396 303 HB3 SER 77 HB3 SER 77 8.128 35.650 32.067 304 HG SER 77 HG SER 77 9.783 36.920 31.616 305 H LYS 78 H LYS 78 8.671 34.067 34.017 306 HA LYS 78 HA LYS 78 10.541 35.671 35.380 307 HB2 LYS 78 HB2 LYS 78 8.249 35.130 36.199 308 HB3 LYS 78 HB3 LYS 78 8.798 33.491 36.549 309 HG2 LYS 78 HG2 LYS 78 10.549 34.426 38.050 310 HG3 LYS 78 HG3 LYS 78 9.910 36.043 37.752 311 HD2 LYS 78 HD2 LYS 78 7.687 35.258 38.609 312 HD3 LYS 78 HD3 LYS 78 8.445 33.726 39.045 313 HE2 LYS 78 HE2 LYS 78 9.476 36.394 40.029 314 HE3 LYS 78 HE3 LYS 78 8.291 35.442 40.922 315 HZ1 LYS 78 HZ1 LYS 78 10.489 33.847 40.069 316 HZ2 LYS 78 HZ2 LYS 78 9.869 34.078 41.635 317 HZ3 LYS 78 HZ3 LYS 78 11.019 35.159 41.004 318 H SER 79 H SER 79 10.279 32.138 35.095 319 HA SER 79 HA SER 79 12.401 31.496 36.831 320 HB2 SER 79 HB2 SER 79 10.682 29.886 35.978 321 HB3 SER 79 HB3 SER 79 11.492 29.921 34.415 322 HG SER 79 HG SER 79 13.194 28.959 35.338 323 H GLN 80 H GLN 80 12.341 32.008 33.322 324 HA GLN 80 HA GLN 80 15.145 31.474 33.003 325 HB2 GLN 80 HB2 GLN 80 13.193 32.790 31.108 326 HB3 GLN 80 HB3 GLN 80 14.795 32.185 30.689 327 HG2 GLN 80 HG2 GLN 80 12.492 30.521 31.749 328 HG3 GLN 80 HG3 GLN 80 13.061 30.549 30.083 329 HE21 GLN 80 HE21 GLN 80 13.144 28.534 32.602 330 HE22 GLN 80 HE22 GLN 80 14.704 27.884 32.451 331 H ASP 81 H ASP 81 13.617 34.178 34.297 332 HA ASP 81 HA ASP 81 14.301 36.331 34.704 333 HB2 ASP 81 HB2 ASP 81 16.345 35.091 35.465 334 HB3 ASP 81 HB3 ASP 81 17.030 35.335 33.860 335 H ILE 82 H ILE 82 13.160 35.841 32.219 336 HA ILE 82 HA ILE 82 14.671 37.643 30.417 337 HB ILE 82 HB ILE 82 12.553 35.598 29.692 338 HG12 ILE 82 HG12 ILE 82 15.545 35.537 29.188 339 HG13 ILE 82 HG13 ILE 82 14.741 34.628 30.469 340 HG21 ILE 82 HG21 ILE 82 14.400 37.277 27.965 341 HG22 ILE 82 HG22 ILE 82 12.674 37.568 28.184 342 HG23 ILE 82 HG23 ILE 82 13.226 36.096 27.382 343 HD11 ILE 82 HD11 ILE 82 14.264 34.357 27.488 344 HD12 ILE 82 HD12 ILE 82 13.306 33.542 28.725 345 HD13 ILE 82 HD13 ILE 82 15.021 33.168 28.548 346 H ASN 83 H ASN 83 13.574 39.372 29.482 347 HA ASN 83 HA ASN 83 11.341 40.365 31.021 348 HB2 ASN 83 HB2 ASN 83 12.723 41.530 28.593 349 HB3 ASN 83 HB3 ASN 83 11.570 42.374 29.626 350 HD21 ASN 83 HD21 ASN 83 12.429 41.576 32.189 351 HD22 ASN 83 HD22 ASN 83 14.006 42.144 32.453 352 H LEU 84 H LEU 84 9.235 40.454 30.447 353 HA LEU 84 HA LEU 84 8.194 38.715 28.519 354 HB2 LEU 84 HB2 LEU 84 6.890 41.184 29.695 355 HB3 LEU 84 HB3 LEU 84 6.050 39.861 28.887 356 HG LEU 84 HG LEU 84 7.739 39.555 31.388 357 HD11 LEU 84 HD11 LEU 84 5.338 39.005 32.300 358 HD12 LEU 84 HD12 LEU 84 4.796 39.965 30.922 359 HD13 LEU 84 HD13 LEU 84 5.837 40.690 32.147 360 HD21 LEU 84 HD21 LEU 84 7.706 37.493 30.154 361 HD22 LEU 84 HD22 LEU 84 5.990 37.667 29.787 362 HD23 LEU 84 HD23 LEU 84 6.508 37.323 31.438 363 H SER 85 H SER 85 8.992 42.158 28.294 364 HA SER 85 HA SER 85 7.751 42.704 25.832 365 HB2 SER 85 HB2 SER 85 8.744 44.414 27.376 366 HB3 SER 85 HB3 SER 85 10.341 43.887 26.854 367 HG SER 85 HG SER 85 9.041 45.655 25.702 368 H THR 86 H THR 86 10.988 41.453 26.588 369 HA THR 86 HA THR 86 11.993 41.454 23.951 370 HB THR 86 HB THR 86 12.700 39.536 26.185 371 HG1 THR 86 HG1 THR 86 13.782 41.141 26.979 372 HG21 THR 86 HG21 THR 86 14.147 40.486 23.698 373 HG22 THR 86 HG22 THR 86 13.644 38.838 24.076 374 HG23 THR 86 HG23 THR 86 14.930 39.603 25.009 375 H ILE 87 H ILE 87 10.284 38.951 25.807 376 HA ILE 87 HA ILE 87 10.520 36.865 23.948 377 HB ILE 87 HB ILE 87 8.218 37.393 25.850 378 HG12 ILE 87 HG12 ILE 87 10.729 35.736 26.257 379 HG13 ILE 87 HG13 ILE 87 10.507 37.361 26.905 380 HG21 ILE 87 HG21 ILE 87 7.814 35.658 24.083 381 HG22 ILE 87 HG22 ILE 87 7.837 34.992 25.717 382 HG23 ILE 87 HG23 ILE 87 9.237 34.793 24.663 383 HD11 ILE 87 HD11 ILE 87 8.834 34.914 27.537 384 HD12 ILE 87 HD12 ILE 87 8.440 36.547 28.074 385 HD13 ILE 87 HD13 ILE 87 9.918 35.767 28.635 386 H TRP 88 H TRP 88 8.012 39.349 24.315 387 HA TRP 88 HA TRP 88 6.310 38.473 22.265 388 HB2 TRP 88 HB2 TRP 88 5.692 40.174 23.928 389 HB3 TRP 88 HB3 TRP 88 6.825 41.296 23.201 390 HD1 TRP 88 HD1 TRP 88 3.458 39.605 22.602 391 HE1 TRP 88 HE1 TRP 88 2.204 40.889 20.753 392 HE3 TRP 88 HE3 TRP 88 7.128 42.833 21.127 393 HZ2 TRP 88 HZ2 TRP 88 2.694 43.010 18.890 394 HZ3 TRP 88 HZ3 TRP 88 6.710 44.470 19.319 395 HH2 TRP 88 HH2 TRP 88 4.502 44.565 18.198 396 H SER 89 H SER 89 8.997 40.825 22.134 397 HA SER 89 HA SER 89 8.642 41.678 19.516 398 HB2 SER 89 HB2 SER 89 10.949 42.404 19.583 399 HB3 SER 89 HB3 SER 89 10.228 42.664 21.168 400 HG SER 89 HG SER 89 12.169 41.610 21.397 401 H LEU 90 H LEU 90 10.401 38.830 20.704 402 HA LEU 90 HA LEU 90 11.412 38.103 18.130 403 HB2 LEU 90 HB2 LEU 90 11.059 36.416 20.618 404 HB3 LEU 90 HB3 LEU 90 12.041 35.994 19.216 405 HG LEU 90 HG LEU 90 12.462 38.471 20.913 406 HD11 LEU 90 HD11 LEU 90 14.142 37.340 22.079 407 HD12 LEU 90 HD12 LEU 90 14.316 36.105 20.832 408 HD13 LEU 90 HD13 LEU 90 12.920 36.081 21.909 409 HD21 LEU 90 HD21 LEU 90 13.301 38.826 18.693 410 HD22 LEU 90 HD22 LEU 90 13.973 37.198 18.617 411 HD23 LEU 90 HD23 LEU 90 14.698 38.401 19.683 412 H ASN 91 H ASN 91 8.754 36.759 20.119 413 HA ASN 91 HA ASN 91 8.016 34.978 17.944 414 HB2 ASN 91 HB2 ASN 91 6.891 35.335 20.721 415 HB3 ASN 91 HB3 ASN 91 6.335 34.125 19.565 416 HD21 ASN 91 HD21 ASN 91 9.477 35.266 20.957 417 HD22 ASN 91 HD22 ASN 91 10.136 33.706 21.081 418 H LYS 92 H LYS 92 7.323 38.153 18.349 419 HA LYS 92 HA LYS 92 4.608 38.462 18.150 420 HB2 LYS 92 HB2 LYS 92 5.037 40.549 17.016 421 HB3 LYS 92 HB3 LYS 92 6.273 40.297 18.244 422 HG2 LYS 92 HG2 LYS 92 7.790 39.399 16.464 423 HG3 LYS 92 HG3 LYS 92 6.564 39.812 15.264 424 HD2 LYS 92 HD2 LYS 92 6.655 42.191 16.177 425 HD3 LYS 92 HD3 LYS 92 8.096 41.698 17.065 426 HE2 LYS 92 HE2 LYS 92 8.769 42.706 14.949 427 HE3 LYS 92 HE3 LYS 92 9.135 40.982 14.913 428 HZ1 LYS 92 HZ1 LYS 92 7.412 40.550 13.481 429 HZ2 LYS 92 HZ2 LYS 92 7.911 42.079 12.931 430 HZ3 LYS 92 HZ3 LYS 92 6.538 41.936 13.920 431 H HIS 93 H HIS 93 6.759 37.177 15.686 432 HA HIS 93 HA HIS 93 4.829 37.392 13.571 433 HB2 HIS 93 HB2 HIS 93 6.376 36.240 12.216 434 HB3 HIS 93 HB3 HIS 93 7.308 37.302 13.245 435 HD1 HIS 93 HD1 HIS 93 8.703 36.107 15.202 436 HD2 HIS 93 HD2 HIS 93 6.959 33.531 12.422 437 HE1 HIS 93 HE1 HIS 93 9.853 33.875 15.475 438 H LEU 94 H LEU 94 5.725 34.891 15.895 439 HA LEU 94 HA LEU 94 4.296 32.765 14.674 440 HB2 LEU 94 HB2 LEU 94 4.990 33.161 17.593 441 HB3 LEU 94 HB3 LEU 94 4.508 31.641 16.842 442 HG LEU 94 HG LEU 94 6.947 33.256 16.051 443 HD11 LEU 94 HD11 LEU 94 8.256 31.817 17.350 444 HD12 LEU 94 HD12 LEU 94 7.006 30.574 17.407 445 HD13 LEU 94 HD13 LEU 94 6.837 32.039 18.374 446 HD21 LEU 94 HD21 LEU 94 5.854 30.558 15.211 447 HD22 LEU 94 HD22 LEU 94 7.514 31.059 14.893 448 HD23 LEU 94 HD23 LEU 94 6.172 31.955 14.182 449 H TYR 95 H TYR 95 3.392 35.161 17.122 450 HA TYR 95 HA TYR 95 0.615 34.132 17.044 451 HB2 TYR 95 HB2 TYR 95 1.989 35.842 19.118 452 HB3 TYR 95 HB3 TYR 95 0.323 35.297 19.186 453 HD1 TYR 95 HD2 TYR 95 -0.164 32.833 19.401 454 HD2 TYR 95 HD1 TYR 95 3.795 34.451 19.800 455 HE1 TYR 95 HE2 TYR 95 0.574 30.750 20.527 456 HE2 TYR 95 HE1 TYR 95 4.533 32.368 20.928 457 HH TYR 95 HH TYR 95 3.649 29.878 20.932 458 H SER 96 H SER 96 -1.112 35.575 16.836 459 HA SER 96 HA SER 96 -0.575 37.710 14.992 460 HB2 SER 96 HB2 SER 96 -3.182 36.926 16.312 461 HB3 SER 96 HB3 SER 96 -2.993 37.958 14.897 462 HG SER 96 HG SER 96 -2.390 35.250 15.151 463 H SER 97 H SER 97 -1.573 37.519 18.387 464 HA SER 97 HA SER 97 -0.959 40.352 18.716 465 HB2 SER 97 HB2 SER 97 -3.120 40.955 19.591 466 HB3 SER 97 HB3 SER 97 -3.359 40.236 18.003 467 HG SER 97 HG SER 97 -4.681 39.081 19.195 468 H GLU 98 H GLU 98 -1.314 41.014 21.055 469 HA GLU 98 HA GLU 98 0.183 39.281 22.727 470 HB2 GLU 98 HB2 GLU 98 -1.444 41.745 23.378 471 HB3 GLU 98 HB3 GLU 98 -0.403 40.914 24.533 472 HG2 GLU 98 HG2 GLU 98 0.968 42.628 23.677 473 HG3 GLU 98 HG3 GLU 98 1.462 41.199 22.777 474 H SER 99 H SER 99 -3.284 39.859 22.376 475 HA SER 99 HA SER 99 -4.190 38.735 24.769 476 HB2 SER 99 HB2 SER 99 -5.602 39.956 23.097 477 HB3 SER 99 HB3 SER 99 -5.546 38.526 22.073 478 HG SER 99 HG SER 99 -7.297 38.837 23.738 479 H GLU 100 H GLU 100 -3.396 37.179 21.678 480 HA GLU 100 HA GLU 100 -4.277 34.591 22.358 481 HB2 GLU 100 HB2 GLU 100 -2.128 35.495 20.434 482 HB3 GLU 100 HB3 GLU 100 -2.737 33.840 20.537 483 HG2 GLU 100 HG2 GLU 100 -5.035 34.689 20.113 484 HG3 GLU 100 HG3 GLU 100 -4.384 36.311 19.928 485 H MET 101 H MET 101 -1.211 36.249 22.978 486 HA MET 101 HA MET 101 0.231 33.982 23.880 487 HB2 MET 101 HB2 MET 101 0.516 36.909 24.593 488 HB3 MET 101 HB3 MET 101 1.681 35.656 25.021 489 HG2 MET 101 HG2 MET 101 1.885 35.106 22.576 490 HG3 MET 101 HG3 MET 101 0.869 36.506 22.228 491 HE1 MET 101 HE1 MET 101 5.124 36.397 23.916 492 HE2 MET 101 HE2 MET 101 4.102 35.051 23.417 493 HE3 MET 101 HE3 MET 101 3.765 35.893 24.928 494 H MET 102 H MET 102 -1.668 36.432 25.635 495 HA MET 102 HA MET 102 -1.189 35.468 28.226 496 HB2 MET 102 HB2 MET 102 -3.598 36.928 27.121 497 HB3 MET 102 HB3 MET 102 -3.265 36.694 28.838 498 HG2 MET 102 HG2 MET 102 -1.046 37.830 28.489 499 HG3 MET 102 HG3 MET 102 -1.555 38.202 26.842 500 HE1 MET 102 HE1 MET 102 -3.760 38.408 30.380 501 HE2 MET 102 HE2 MET 102 -2.869 39.863 30.818 502 HE3 MET 102 HE3 MET 102 -1.993 38.382 30.436 503 H LYS 103 H LYS 103 -3.610 34.538 25.835 504 HA LYS 103 HA LYS 103 -4.901 32.709 27.712 505 HB2 LYS 103 HB2 LYS 103 -5.522 33.421 24.842 506 HB3 LYS 103 HB3 LYS 103 -6.481 32.325 25.837 507 HG2 LYS 103 HG2 LYS 103 -6.796 34.163 27.494 508 HG3 LYS 103 HG3 LYS 103 -5.936 35.252 26.406 509 HD2 LYS 103 HD2 LYS 103 -7.627 34.748 24.636 510 HD3 LYS 103 HD3 LYS 103 -8.522 33.786 25.813 511 HE2 LYS 103 HE2 LYS 103 -9.050 35.668 27.133 512 HE3 LYS 103 HE3 LYS 103 -7.784 36.650 26.395 513 HZ1 LYS 103 HZ1 LYS 103 -8.995 36.747 24.370 514 HZ2 LYS 103 HZ2 LYS 103 -10.072 37.161 25.617 515 HZ3 LYS 103 HZ3 LYS 103 -10.136 35.615 24.914 516 H ALA 104 H ALA 104 -2.090 32.288 26.320 517 HA ALA 104 HA ALA 104 -2.199 30.200 24.511 518 HB1 ALA 104 HB1 ALA 104 0.058 29.592 25.336 519 HB2 ALA 104 HB2 ALA 104 -0.176 30.669 26.712 520 HB3 ALA 104 HB3 ALA 104 -0.116 31.328 25.077 521 H ALA 105 H ALA 105 -2.244 27.991 24.632 522 HA ALA 105 HA ALA 105 -2.958 26.789 27.241 523 HB1 ALA 105 HB1 ALA 105 -4.843 27.196 25.423 524 HB2 ALA 105 HB2 ALA 105 -4.794 25.705 26.363 525 HB3 ALA 105 HB3 ALA 105 -4.159 25.731 24.718 526 HA PRO 106 HA PRO 106 -0.047 23.591 26.515 527 HB2 PRO 106 HB2 PRO 106 -2.094 21.438 26.486 528 HB3 PRO 106 HB3 PRO 106 -0.697 21.659 27.557 529 HG2 PRO 106 HG2 PRO 106 -3.184 22.083 28.400 530 HG3 PRO 106 HG3 PRO 106 -1.824 23.073 28.961 531 HD2 PRO 106 HD2 PRO 106 -3.948 23.761 26.965 532 HD3 PRO 106 HD3 PRO 106 -3.156 24.797 28.173 533 H GLY 107 H GLY 107 0.954 22.489 24.852 534 HA2 GLY 107 HA2 GLY 107 0.923 21.110 22.890 535 HA3 GLY 107 HA3 GLY 107 -0.651 21.772 22.486 536 H GLN 108 H GLN 108 0.703 24.538 23.261 537 HA GLN 108 HA GLN 108 1.513 25.083 20.514 538 HB2 GLN 108 HB2 GLN 108 1.068 26.891 22.894 539 HB3 GLN 108 HB3 GLN 108 1.585 27.463 21.305 540 HG2 GLN 108 HG2 GLN 108 -0.433 26.438 20.296 541 HG3 GLN 108 HG3 GLN 108 -0.963 25.932 21.899 542 HE21 GLN 108 HE21 GLN 108 -0.683 28.682 19.725 543 HE22 GLN 108 HE22 GLN 108 -1.484 29.791 20.732 544 H GLN 109 H GLN 109 3.479 26.204 19.992 545 HA GLN 109 HA GLN 109 5.703 25.407 21.778 546 HB2 GLN 109 HB2 GLN 109 5.624 25.755 18.773 547 HB3 GLN 109 HB3 GLN 109 7.076 25.388 19.706 548 HG2 GLN 109 HG2 GLN 109 6.072 23.312 20.516 549 HG3 GLN 109 HG3 GLN 109 4.569 23.684 19.677 550 HE21 GLN 109 HE21 GLN 109 6.053 21.289 19.129 551 HE22 GLN 109 HE22 GLN 109 6.652 21.389 17.544 552 H ILE 110 H ILE 110 7.400 26.795 22.119 553 HA ILE 110 HA ILE 110 7.133 29.569 21.133 554 HB ILE 110 HB ILE 110 8.079 28.663 23.869 555 HG12 ILE 110 HG12 ILE 110 5.629 30.272 23.095 556 HG13 ILE 110 HG13 ILE 110 5.599 28.542 23.437 557 HG21 ILE 110 HG21 ILE 110 7.771 31.428 22.657 558 HG22 ILE 110 HG22 ILE 110 9.287 30.647 23.108 559 HG23 ILE 110 HG23 ILE 110 8.126 31.105 24.354 560 HD11 ILE 110 HD11 ILE 110 6.586 30.655 25.376 561 HD12 ILE 110 HD12 ILE 110 6.411 28.931 25.701 562 HD13 ILE 110 HD13 ILE 110 4.983 29.926 25.420 563 H ILE 111 H ILE 111 8.993 30.477 20.324 564 HA ILE 111 HA ILE 111 11.387 28.732 20.274 565 HB ILE 111 HB ILE 111 10.665 30.994 18.391 566 HG12 ILE 111 HG12 ILE 111 10.566 27.996 17.927 567 HG13 ILE 111 HG13 ILE 111 9.146 28.992 18.250 568 HG21 ILE 111 HG21 ILE 111 13.091 30.560 18.619 569 HG22 ILE 111 HG22 ILE 111 12.506 30.059 17.032 570 HG23 ILE 111 HG23 ILE 111 12.816 28.852 18.282 571 HD11 ILE 111 HD11 ILE 111 10.987 29.081 15.860 572 HD12 ILE 111 HD12 ILE 111 9.935 30.437 16.264 573 HD13 ILE 111 HD13 ILE 111 9.237 28.862 15.888 574 H LEU 112 H LEU 112 13.200 29.395 21.213 575 HA LEU 112 HA LEU 112 13.403 32.208 22.114 576 HB2 LEU 112 HB2 LEU 112 14.471 29.652 23.321 577 HB3 LEU 112 HB3 LEU 112 14.968 31.260 23.849 578 HG LEU 112 HG LEU 112 12.072 30.392 23.743 579 HD11 LEU 112 HD11 LEU 112 14.101 30.223 25.979 580 HD12 LEU 112 HD12 LEU 112 13.077 28.934 25.345 581 HD13 LEU 112 HD13 LEU 112 12.363 30.248 26.280 582 HD21 LEU 112 HD21 LEU 112 11.978 32.315 25.460 583 HD22 LEU 112 HD22 LEU 112 12.237 32.762 23.774 584 HD23 LEU 112 HD23 LEU 112 13.596 32.732 24.898 585 HA PRO 113 HA PRO 113 17.032 31.646 19.350 586 HB2 PRO 113 HB2 PRO 113 16.952 34.024 18.073 587 HB3 PRO 113 HB3 PRO 113 15.902 32.673 17.598 588 HG2 PRO 113 HG2 PRO 113 15.253 35.116 19.143 589 HG3 PRO 113 HG3 PRO 113 14.265 34.212 17.984 590 HD2 PRO 113 HD2 PRO 113 14.061 34.023 20.768 591 HD3 PRO 113 HD3 PRO 113 13.410 32.851 19.603 592 H LEU 114 H LEU 114 18.635 31.755 20.899 593 HA LEU 114 HA LEU 114 19.062 33.842 22.718 594 HB2 LEU 114 HB2 LEU 114 21.111 31.942 21.551 595 HB3 LEU 114 HB3 LEU 114 21.291 32.875 23.036 596 HG LEU 114 HG LEU 114 19.117 30.818 22.551 597 HD11 LEU 114 HD11 LEU 114 20.471 29.593 24.371 598 HD12 LEU 114 HD12 LEU 114 21.785 30.694 23.960 599 HD13 LEU 114 HD13 LEU 114 21.142 29.595 22.740 600 HD21 LEU 114 HD21 LEU 114 18.268 32.294 24.167 601 HD22 LEU 114 HD22 LEU 114 19.864 32.629 24.837 602 HD23 LEU 114 HD23 LEU 114 19.079 31.083 25.160 603 H LYS 115 H LYS 115 20.309 33.356 19.439 604 HA LYS 115 HA LYS 115 21.755 35.916 19.612 605 HB2 LYS 115 HB2 LYS 115 21.844 33.704 17.549 606 HB3 LYS 115 HB3 LYS 115 22.772 35.202 17.455 607 HG2 LYS 115 HG2 LYS 115 23.800 34.664 19.663 608 HG3 LYS 115 HG3 LYS 115 22.947 33.119 19.650 609 HD2 LYS 115 HD2 LYS 115 24.073 32.563 17.492 610 HD3 LYS 115 HD3 LYS 115 25.000 34.058 17.626 611 HE2 LYS 115 HE2 LYS 115 26.321 32.182 18.492 612 HE3 LYS 115 HE3 LYS 115 25.902 33.280 19.806 613 HZ1 LYS 115 HZ1 LYS 115 25.544 30.747 20.086 614 HZ2 LYS 115 HZ2 LYS 115 24.131 31.018 19.182 615 HZ3 LYS 115 HZ3 LYS 115 24.366 31.825 20.657 616 H LYS 116 H LYS 116 21.217 37.661 18.399 617 HA LYS 116 HA LYS 116 18.739 37.462 16.792 618 HB2 LYS 116 HB2 LYS 116 19.970 39.817 18.241 619 HB3 LYS 116 HB3 LYS 116 18.540 39.909 17.213 620 HG2 LYS 116 HG2 LYS 116 17.344 38.354 18.655 621 HG3 LYS 116 HG3 LYS 116 18.786 38.113 19.642 622 HD2 LYS 116 HD2 LYS 116 17.378 39.698 20.795 623 HD3 LYS 116 HD3 LYS 116 18.756 40.586 20.143 624 HE2 LYS 116 HE2 LYS 116 17.487 41.574 18.443 625 HE3 LYS 116 HE3 LYS 116 16.241 40.330 18.518 626 HZ1 LYS 116 HZ1 LYS 116 16.771 42.438 20.540 627 HZ2 LYS 116 HZ2 LYS 116 15.659 41.169 20.746 628 HZ3 LYS 116 HZ3 LYS 116 15.419 42.323 19.523 629 H LEU 117 H LEU 117 18.758 38.032 14.695 630 HA LEU 117 HA LEU 117 21.320 38.883 13.538 631 HB2 LEU 117 HB2 LEU 117 20.115 36.812 12.709 632 HB3 LEU 117 HB3 LEU 117 18.870 37.888 12.075 633 HG LEU 117 HG LEU 117 20.702 39.109 10.823 634 HD11 LEU 117 HD11 LEU 117 22.254 36.809 11.995 635 HD12 LEU 117 HD12 LEU 117 22.703 38.512 11.903 636 HD13 LEU 117 HD13 LEU 117 22.738 37.510 10.451 637 HD21 LEU 117 HD21 LEU 117 19.168 37.246 9.914 638 HD22 LEU 117 HD22 LEU 117 20.568 36.185 10.072 639 HD23 LEU 117 HD23 LEU 117 20.639 37.585 9.002 640 HA PRO 118 HA PRO 118 19.179 42.792 12.910 641 HB2 PRO 118 HB2 PRO 118 21.122 44.245 11.742 642 HB3 PRO 118 HB3 PRO 118 21.232 43.733 13.438 643 HG2 PRO 118 HG2 PRO 118 22.631 42.681 11.058 644 HG3 PRO 118 HG3 PRO 118 23.174 42.785 12.739 645 HD2 PRO 118 HD2 PRO 118 22.148 40.487 11.457 646 HD3 PRO 118 HD3 PRO 118 22.428 40.686 13.199 647 H PHE 119 H PHE 119 20.694 41.139 10.194 648 HA PHE 119 HA PHE 119 19.005 42.659 8.300 649 HB2 PHE 119 HB2 PHE 119 20.537 41.921 6.574 650 HB3 PHE 119 HB3 PHE 119 21.418 42.719 7.863 651 HD1 PHE 119 HD2 PHE 119 22.811 41.390 9.435 652 HD2 PHE 119 HD1 PHE 119 20.855 39.597 6.057 653 HE1 PHE 119 HE2 PHE 119 24.273 39.398 9.646 654 HE2 PHE 119 HE1 PHE 119 22.317 37.604 6.269 655 HZ PHE 119 HZ PHE 119 24.026 37.505 8.064 656 H GLU 120 H GLU 120 17.420 41.675 7.224 657 HA GLU 120 HA GLU 120 17.166 38.732 7.461 658 HB2 GLU 120 HB2 GLU 120 15.398 40.093 8.605 659 HB3 GLU 120 HB3 GLU 120 14.953 40.751 7.029 660 HG2 GLU 120 HG2 GLU 120 14.561 38.433 6.209 661 HG3 GLU 120 HG3 GLU 120 14.914 37.826 7.820 662 H TYR 121 H TYR 121 16.724 37.541 5.638 663 HA TYR 121 HA TYR 121 16.829 39.001 3.059 664 HB2 TYR 121 HB2 TYR 121 17.971 37.109 2.123 665 HB3 TYR 121 HB3 TYR 121 18.827 37.636 3.557 666 HD1 TYR 121 HD2 TYR 121 18.728 36.283 5.641 667 HD2 TYR 121 HD1 TYR 121 16.930 34.949 1.975 668 HE1 TYR 121 HE2 TYR 121 18.594 33.977 6.545 669 HE2 TYR 121 HE1 TYR 121 16.795 32.643 2.879 670 HH TYR 121 HH TYR 121 17.713 31.924 6.167 671 H SER 122 H SER 122 15.151 38.792 1.749 672 HA SER 122 HA SER 122 12.838 37.313 2.470 673 HB2 SER 122 HB2 SER 122 11.912 38.097 0.379 674 HB3 SER 122 HB3 SER 122 12.828 39.404 1.120 675 HG SER 122 HG SER 122 13.312 39.056 -1.093 676 H ALA 123 H ALA 123 15.623 36.493 0.521 677 HA ALA 123 HA ALA 123 14.557 34.604 -1.218 678 HB1 ALA 123 HB1 ALA 123 16.923 33.510 -0.875 679 HB2 ALA 123 HB2 ALA 123 17.241 34.978 0.052 680 HB3 ALA 123 HB3 ALA 123 16.780 35.090 -1.647 681 H LEU 124 H LEU 124 14.166 32.428 -1.130 682 HA LEU 124 HA LEU 124 14.207 31.152 1.542 683 HB2 LEU 124 HB2 LEU 124 12.038 31.096 -0.562 684 HB3 LEU 124 HB3 LEU 124 12.107 29.963 0.789 685 HG LEU 124 HG LEU 124 12.203 32.951 1.220 686 HD11 LEU 124 HD11 LEU 124 9.773 31.138 1.097 687 HD12 LEU 124 HD12 LEU 124 10.129 32.483 0.014 688 HD13 LEU 124 HD13 LEU 124 9.762 32.792 1.710 689 HD21 LEU 124 HD21 LEU 124 12.866 31.814 3.174 690 HD22 LEU 124 HD22 LEU 124 11.733 30.491 2.899 691 HD23 LEU 124 HD23 LEU 124 11.139 32.065 3.429 692 HA PRO 125 HA PRO 125 16.656 28.652 -1.499 693 HB2 PRO 125 HB2 PRO 125 18.172 27.358 0.424 694 HB3 PRO 125 HB3 PRO 125 18.618 28.890 -0.350 695 HG2 PRO 125 HG2 PRO 125 17.368 28.411 2.303 696 HG3 PRO 125 HG3 PRO 125 18.604 29.592 1.829 697 HD2 PRO 125 HD2 PRO 125 16.022 30.313 2.175 698 HD3 PRO 125 HD3 PRO 125 17.052 31.079 0.942 699 H LEU 126 H LEU 126 15.419 27.469 1.635 700 HA LEU 126 HA LEU 126 14.861 24.854 0.432 701 HB2 LEU 126 HB2 LEU 126 14.517 25.791 3.292 702 HB3 LEU 126 HB3 LEU 126 14.357 24.133 2.714 703 HG LEU 126 HG LEU 126 16.887 25.795 2.508 704 HD11 LEU 126 HD11 LEU 126 16.111 23.550 4.396 705 HD12 LEU 126 HD12 LEU 126 16.396 25.233 4.838 706 HD13 LEU 126 HD13 LEU 126 17.730 24.235 4.260 707 HD21 LEU 126 HD21 LEU 126 17.841 23.454 2.052 708 HD22 LEU 126 HD22 LEU 126 16.883 24.170 0.757 709 HD23 LEU 126 HD23 LEU 126 16.174 22.939 1.801 710 H LEU 127 H LEU 127 12.864 24.145 -0.059 711 HA LEU 127 HA LEU 127 10.602 25.990 0.425 712 HB2 LEU 127 HB2 LEU 127 11.201 25.528 -1.955 713 HB3 LEU 127 HB3 LEU 127 10.846 23.822 -1.672 714 HG LEU 127 HG LEU 127 8.540 24.539 -0.893 715 HD11 LEU 127 HD11 LEU 127 9.661 27.164 -1.847 716 HD12 LEU 127 HD12 LEU 127 8.729 26.822 -0.390 717 HD13 LEU 127 HD13 LEU 127 7.930 26.847 -1.962 718 HD21 LEU 127 HD21 LEU 127 7.772 25.055 -3.274 719 HD22 LEU 127 HD22 LEU 127 8.736 23.590 -3.084 720 HD23 LEU 127 HD23 LEU 127 9.477 25.056 -3.725 721 H GLY 128 H GLY 128 8.948 25.338 1.650 722 HA2 GLY 128 HA2 GLY 128 8.383 22.489 1.985 723 HA3 GLY 128 HA3 GLY 128 8.803 23.387 3.442 724 H SER 129 H SER 129 6.259 22.324 1.628 725 HA SER 129 HA SER 129 4.446 24.270 2.881 726 HB2 SER 129 HB2 SER 129 3.193 24.598 0.839 727 HB3 SER 129 HB3 SER 129 4.879 25.002 0.533 728 HG SER 129 HG SER 129 4.711 23.541 -0.947 729 H ALA 130 H ALA 130 2.253 23.526 3.038 730 HA ALA 130 HA ALA 130 1.907 20.605 2.713 731 HB1 ALA 130 HB1 ALA 130 0.783 22.190 5.024 732 HB2 ALA 130 HB2 ALA 130 2.336 21.361 5.112 733 HB3 ALA 130 HB3 ALA 130 0.858 20.438 4.842 734 HA PRO 131 HA PRO 131 -1.287 22.943 0.253 735 HB2 PRO 131 HB2 PRO 131 -1.741 20.114 -0.607 736 HB3 PRO 131 HB3 PRO 131 -1.703 21.597 -1.581 737 HG2 PRO 131 HG2 PRO 131 0.345 19.904 -1.557 738 HG3 PRO 131 HG3 PRO 131 0.587 21.658 -1.653 739 HD2 PRO 131 HD2 PRO 131 1.078 19.826 0.634 740 HD3 PRO 131 HD3 PRO 131 1.851 21.377 0.240 741 H LEU 132 H LEU 132 -1.709 19.847 1.962 742 HA LEU 132 HA LEU 132 -4.523 19.895 2.085 743 HB2 LEU 132 HB2 LEU 132 -2.576 18.618 4.019 744 HB3 LEU 132 HB3 LEU 132 -4.286 18.223 3.860 745 HG LEU 132 HG LEU 132 -2.244 17.953 1.634 746 HD11 LEU 132 HD11 LEU 132 -2.832 15.452 2.064 747 HD12 LEU 132 HD12 LEU 132 -3.367 16.013 3.648 748 HD13 LEU 132 HD13 LEU 132 -1.691 16.242 3.152 749 HD21 LEU 132 HD21 LEU 132 -5.196 17.402 1.892 750 HD22 LEU 132 HD22 LEU 132 -4.214 16.478 0.754 751 HD23 LEU 132 HD23 LEU 132 -4.337 18.231 0.593 752 H VAL 133 H VAL 133 -2.072 21.254 4.260 753 HA VAL 133 HA VAL 133 -4.264 22.484 5.842 754 HB VAL 133 HB VAL 133 -1.500 21.719 6.813 755 HG11 VAL 133 HG11 VAL 133 -2.349 23.600 8.057 756 HG12 VAL 133 HG12 VAL 133 -2.589 22.166 9.055 757 HG13 VAL 133 HG13 VAL 133 -3.949 22.869 8.178 758 HG21 VAL 133 HG21 VAL 133 -4.198 20.440 7.365 759 HG22 VAL 133 HG22 VAL 133 -2.660 19.958 8.080 760 HG23 VAL 133 HG23 VAL 133 -2.933 19.744 6.350 761 H ALA 134 H ALA 134 -4.347 24.629 5.807 762 HA ALA 134 HA ALA 134 -2.081 26.113 4.672 763 HB1 ALA 134 HB1 ALA 134 -3.594 27.815 4.136 764 HB2 ALA 134 HB2 ALA 134 -4.745 27.313 5.376 765 HB3 ALA 134 HB3 ALA 134 -4.554 26.353 3.908 766 H ALA 135 H ALA 135 -0.629 26.814 6.109 767 HA ALA 135 HA ALA 135 -1.121 27.134 8.880 768 HB1 ALA 135 HB1 ALA 135 1.127 26.755 8.215 769 HB2 ALA 135 HB2 ALA 135 1.083 28.419 8.798 770 HB3 ALA 135 HB3 ALA 135 1.092 28.092 7.065 771 H GLY 136 H GLY 136 -1.038 29.427 6.179 772 HA2 GLY 136 HA2 GLY 136 -2.065 31.482 5.955 773 HA3 GLY 136 HA3 GLY 136 -2.824 31.224 7.520 774 H GLY 137 H GLY 137 0.666 31.075 7.121 775 HA2 GLY 137 HA2 GLY 137 1.204 32.910 9.177 776 HA3 GLY 137 HA3 GLY 137 2.361 32.388 7.957 777 H VAL 138 H VAL 138 0.932 33.358 5.676 778 HA VAL 138 HA VAL 138 1.178 36.287 6.078 779 HB VAL 138 HB VAL 138 1.804 34.700 3.574 780 HG11 VAL 138 HG11 VAL 138 2.823 36.888 2.872 781 HG12 VAL 138 HG12 VAL 138 2.111 37.627 4.306 782 HG13 VAL 138 HG13 VAL 138 1.070 36.953 3.052 783 HG21 VAL 138 HG21 VAL 138 3.710 36.103 5.470 784 HG22 VAL 138 HG22 VAL 138 4.136 35.122 4.067 785 HG23 VAL 138 HG23 VAL 138 3.417 34.364 5.488 786 H ALA 139 H ALA 139 -0.522 37.499 5.521 787 HA ALA 139 HA ALA 139 -2.803 36.177 4.199 788 HB1 ALA 139 HB1 ALA 139 -3.228 37.235 6.395 789 HB2 ALA 139 HB2 ALA 139 -4.150 38.006 5.104 790 HB3 ALA 139 HB3 ALA 139 -2.699 38.783 5.737 791 H GLY 140 H GLY 140 -3.372 36.716 2.188 792 HA2 GLY 140 HA2 GLY 140 -1.785 38.383 0.559 793 HA3 GLY 140 HA3 GLY 140 -3.356 37.727 0.126 794 H HIS 141 H HIS 141 -4.618 39.079 2.497 795 HA HIS 141 HA HIS 141 -5.748 41.214 1.154 796 HB2 HIS 141 HB2 HIS 141 -5.450 40.840 4.133 797 HB3 HIS 141 HB3 HIS 141 -6.548 41.971 3.366 798 HD1 HIS 141 HD1 HIS 141 -8.349 40.732 1.664 799 HD2 HIS 141 HD2 HIS 141 -6.567 38.372 4.601 800 HE1 HIS 141 HE1 HIS 141 -9.799 38.671 1.901 801 H THR 142 H THR 142 -2.913 41.236 3.286 802 HA THR 142 HA THR 142 -2.729 44.024 3.614 803 HB THR 142 HB THR 142 -1.467 42.414 4.988 804 HG1 THR 142 HG1 THR 142 -0.735 44.565 4.656 805 HG21 THR 142 HG21 THR 142 -0.813 41.124 2.715 806 HG22 THR 142 HG22 THR 142 0.155 41.009 4.182 807 HG23 THR 142 HG23 THR 142 0.630 42.120 2.899 808 H ASN 143 H ASN 143 -1.503 41.898 1.072 809 HA ASN 143 HA ASN 143 -0.435 44.259 -0.355 810 HB2 ASN 143 HB2 ASN 143 1.112 42.319 0.190 811 HB3 ASN 143 HB3 ASN 143 0.164 41.360 -0.944 812 HD21 ASN 143 HD21 ASN 143 2.098 41.210 -2.358 813 HD22 ASN 143 HD22 ASN 143 2.552 42.536 -3.316 814 H GLY 144 H GLY 144 -1.665 45.009 -1.945 815 HA2 GLY 144 HA2 GLY 144 -3.587 43.195 -3.262 816 HA3 GLY 144 HA3 GLY 144 -3.702 44.951 -3.220 817 H SER 145 H SER 145 -0.772 43.117 -3.959 818 HA SER 145 HA SER 145 -0.154 44.638 -6.245 819 HB2 SER 145 HB2 SER 145 1.602 43.019 -6.639 820 HB3 SER 145 HB3 SER 145 1.480 43.315 -4.908 821 HG SER 145 HG SER 145 1.139 41.056 -6.236 822 H GLY 146 H GLY 146 -1.995 41.653 -5.879 823 HA2 GLY 146 HA2 GLY 146 -1.991 40.728 -8.509 824 HA3 GLY 146 HA3 GLY 146 -3.308 40.489 -7.367 825 H SER 147 H SER 147 -3.929 43.281 -7.011 826 HA SER 147 HA SER 147 -5.812 43.636 -9.066 827 HB2 SER 147 HB2 SER 147 -6.235 45.806 -8.078 828 HB3 SER 147 HB3 SER 147 -5.958 44.637 -6.791 829 HG SER 147 HG SER 147 -4.709 46.819 -7.093 830 H GLU 148 H GLU 148 -2.495 44.786 -8.765 831 HA GLU 148 HA GLU 148 -2.554 46.822 -10.699 832 HB2 GLU 148 HB2 GLU 148 -0.297 44.970 -9.905 833 HB3 GLU 148 HB3 GLU 148 -0.105 46.434 -10.870 834 HG2 GLU 148 HG2 GLU 148 -1.107 47.753 -9.013 835 HG3 GLU 148 HG3 GLU 148 -1.198 46.288 -8.046 836 H ASN 149 H ASN 149 -2.175 43.323 -11.029 837 HA ASN 149 HA ASN 149 -1.296 43.205 -13.680 838 HB2 ASN 149 HB2 ASN 149 -3.080 41.301 -12.153 839 HB3 ASN 149 HB3 ASN 149 -2.314 40.933 -13.696 840 HD21 ASN 149 HD21 ASN 149 -1.769 39.503 -11.206 841 HD22 ASN 149 HD22 ASN 149 -0.135 39.768 -10.828 842 H LEU 150 H LEU 150 -4.556 43.606 -12.374 843 HA LEU 150 HA LEU 150 -6.024 43.081 -14.704 844 HB2 LEU 150 HB2 LEU 150 -6.664 45.060 -12.505 845 HB3 LEU 150 HB3 LEU 150 -7.814 44.388 -13.660 846 HG LEU 150 HG LEU 150 -6.186 42.746 -11.696 847 HD11 LEU 150 HD11 LEU 150 -9.018 43.800 -11.639 848 HD12 LEU 150 HD12 LEU 150 -7.772 43.952 -10.400 849 HD13 LEU 150 HD13 LEU 150 -8.531 42.389 -10.700 850 HD21 LEU 150 HD21 LEU 150 -8.235 42.118 -13.813 851 HD22 LEU 150 HD22 LEU 150 -8.082 41.076 -12.398 852 HD23 LEU 150 HD23 LEU 150 -6.706 41.306 -13.477 853 H TYR 151 H TYR 151 -4.457 46.052 -13.585 854 HA TYR 151 HA TYR 151 -5.532 47.778 -15.549 855 HB2 TYR 151 HB2 TYR 151 -2.949 47.913 -13.997 856 HB3 TYR 151 HB3 TYR 151 -3.559 49.211 -15.007 857 HD1 TYR 151 HD1 TYR 151 -4.013 47.331 -11.880 858 HD2 TYR 151 HD2 TYR 151 -5.496 50.535 -14.326 859 HE1 TYR 151 HE1 TYR 151 -5.362 48.161 -9.972 860 HE2 TYR 151 HE2 TYR 151 -6.846 51.365 -12.418 861 HH TYR 151 HH TYR 151 -6.573 51.047 -9.722 862 H PHE 152 H PHE 152 -2.749 45.608 -15.587 863 HA PHE 152 HA PHE 152 -1.393 46.595 -17.817 864 HB2 PHE 152 HB2 PHE 152 -0.570 44.802 -16.313 865 HB3 PHE 152 HB3 PHE 152 -1.739 43.703 -17.019 866 HD1 PHE 152 HD1 PHE 152 1.339 45.659 -17.640 867 HD2 PHE 152 HD2 PHE 152 -1.369 42.702 -19.181 868 HE1 PHE 152 HE1 PHE 152 2.972 45.090 -19.419 869 HE2 PHE 152 HE2 PHE 152 0.263 42.133 -20.959 870 HZ PHE 152 HZ PHE 152 2.434 43.328 -21.078 871 H GLN 153 H GLN 153 -4.138 44.356 -17.633 872 HA GLN 153 HA GLN 153 -4.258 43.799 -20.420 873 HB2 GLN 153 HB2 GLN 153 -6.481 43.694 -18.366 874 HB3 GLN 153 HB3 GLN 153 -6.481 42.906 -19.942 875 HG2 GLN 153 HG2 GLN 153 -4.545 42.340 -17.679 876 HG3 GLN 153 HG3 GLN 153 -5.884 41.308 -18.168 877 HE21 GLN 153 HE21 GLN 153 -2.712 41.148 -18.307 878 HE22 GLN 153 HE22 GLN 153 -2.456 40.552 -19.875 Start of MODEL 6 1 H1 MET 39 HT1 MET 39 13.953 6.290 -7.637 2 H2 MET 39 HT2 MET 39 13.893 6.946 -9.203 3 H3 MET 39 HT3 MET 39 15.365 6.900 -8.355 4 HA MET 39 HA MET 39 15.114 4.398 -8.327 5 HB2 MET 39 HB2 MET 39 13.146 5.132 -10.518 6 HB3 MET 39 HB3 MET 39 13.686 3.502 -10.129 7 HG2 MET 39 HG2 MET 39 12.145 5.353 -8.286 8 HG3 MET 39 HG3 MET 39 11.492 3.944 -9.116 9 HE1 MET 39 HE1 MET 39 13.139 0.945 -7.555 10 HE2 MET 39 HE2 MET 39 14.041 1.818 -8.791 11 HE3 MET 39 HE3 MET 39 12.290 1.676 -8.923 12 H ASN 40 H ASN 40 14.614 6.301 -11.311 13 HA ASN 40 HA ASN 40 17.074 5.213 -12.420 14 HB2 ASN 40 HB2 ASN 40 16.388 6.272 -14.487 15 HB3 ASN 40 HB3 ASN 40 15.034 5.387 -13.793 16 HD21 ASN 40 HD21 ASN 40 14.629 7.536 -15.645 17 HD22 ASN 40 HD22 ASN 40 13.877 8.814 -14.820 18 H GLY 41 H GLY 41 16.748 7.592 -10.262 19 HA2 GLY 41 HA2 GLY 41 17.908 9.890 -11.342 20 HA3 GLY 41 HA3 GLY 41 18.062 9.383 -9.663 21 H GLU 42 H GLU 42 19.419 6.909 -10.178 22 HA GLU 42 HA GLU 42 22.089 7.733 -10.131 23 HB2 GLU 42 HB2 GLU 42 21.221 5.552 -9.279 24 HB3 GLU 42 HB3 GLU 42 21.069 5.005 -10.950 25 HG2 GLU 42 HG2 GLU 42 23.496 5.452 -11.283 26 HG3 GLU 42 HG3 GLU 42 23.626 5.891 -9.586 27 H ASN 43 H ASN 43 20.062 6.748 -12.848 28 HA ASN 43 HA ASN 43 22.003 6.257 -14.780 29 HB2 ASN 43 HB2 ASN 43 19.495 5.948 -14.985 30 HB3 ASN 43 HB3 ASN 43 19.392 7.677 -15.315 31 HD21 ASN 43 HD21 ASN 43 18.633 7.159 -17.532 32 HD22 ASN 43 HD22 ASN 43 19.742 6.644 -18.710 33 H TYR 44 H TYR 44 20.672 9.341 -13.666 34 HA TYR 44 HA TYR 44 22.647 10.750 -15.374 35 HB2 TYR 44 HB2 TYR 44 20.005 11.746 -14.303 36 HB3 TYR 44 HB3 TYR 44 21.138 12.683 -15.258 37 HD1 TYR 44 HD2 TYR 44 21.601 11.988 -17.648 38 HD2 TYR 44 HD1 TYR 44 18.439 10.273 -15.301 39 HE1 TYR 44 HE2 TYR 44 20.515 11.158 -19.717 40 HE2 TYR 44 HE1 TYR 44 17.353 9.442 -17.371 41 HH TYR 44 HH TYR 44 18.737 9.083 -20.131 42 H PHE 45 H PHE 45 24.167 11.904 -14.383 43 HA PHE 45 HA PHE 45 24.555 11.856 -11.598 44 HB2 PHE 45 HB2 PHE 45 26.341 12.209 -13.281 45 HB3 PHE 45 HB3 PHE 45 25.692 13.805 -13.604 46 HD1 PHE 45 HD1 PHE 45 27.383 11.676 -11.093 47 HD2 PHE 45 HD2 PHE 45 26.114 15.650 -12.116 48 HE1 PHE 45 HE1 PHE 45 28.766 12.592 -9.249 49 HE2 PHE 45 HE2 PHE 45 27.497 16.566 -10.273 50 HZ PHE 45 HZ PHE 45 28.823 15.037 -8.839 51 H LYS 46 H LYS 46 23.126 14.299 -13.719 52 HA LYS 46 HA LYS 46 22.968 16.434 -11.934 53 HB2 LYS 46 HB2 LYS 46 22.445 16.545 -14.364 54 HB3 LYS 46 HB3 LYS 46 20.934 15.691 -14.046 55 HG2 LYS 46 HG2 LYS 46 20.175 17.490 -12.585 56 HG3 LYS 46 HG3 LYS 46 21.717 18.326 -12.765 57 HD2 LYS 46 HD2 LYS 46 20.148 19.377 -14.264 58 HD3 LYS 46 HD3 LYS 46 21.274 18.440 -15.245 59 HE2 LYS 46 HE2 LYS 46 18.909 18.122 -15.956 60 HE3 LYS 46 HE3 LYS 46 19.655 16.616 -15.426 61 HZ1 LYS 46 HZ1 LYS 46 18.383 16.527 -13.573 62 HZ2 LYS 46 HZ2 LYS 46 17.312 17.420 -14.543 63 HZ3 LYS 46 HZ3 LYS 46 18.290 18.212 -13.401 64 H LEU 47 H LEU 47 20.862 13.613 -12.272 65 HA LEU 47 HA LEU 47 18.868 14.637 -10.455 66 HB2 LEU 47 HB2 LEU 47 19.297 11.814 -11.463 67 HB3 LEU 47 HB3 LEU 47 17.851 12.425 -10.659 68 HG LEU 47 HG LEU 47 18.947 13.486 -13.281 69 HD11 LEU 47 HD11 LEU 47 18.077 11.250 -13.616 70 HD12 LEU 47 HD12 LEU 47 16.877 12.394 -14.217 71 HD13 LEU 47 HD13 LEU 47 16.647 11.614 -12.653 72 HD21 LEU 47 HD21 LEU 47 16.608 14.521 -13.338 73 HD22 LEU 47 HD22 LEU 47 17.726 15.220 -12.166 74 HD23 LEU 47 HD23 LEU 47 16.480 14.091 -11.632 75 H GLY 48 H GLY 48 18.436 13.908 -8.358 76 HA2 GLY 48 HA2 GLY 48 18.866 12.837 -6.324 77 HA3 GLY 48 HA3 GLY 48 20.317 12.133 -7.025 78 H SER 49 H SER 49 19.615 15.582 -7.156 79 HA SER 49 HA SER 49 22.112 16.326 -6.068 80 HB2 SER 49 HB2 SER 49 21.253 18.588 -6.094 81 HB3 SER 49 HB3 SER 49 20.709 17.756 -7.546 82 HG SER 49 HG SER 49 19.282 18.404 -5.259 83 H ASP 50 H ASP 50 18.995 15.726 -4.553 84 HA ASP 50 HA ASP 50 19.322 17.055 -2.128 85 HB2 ASP 50 HB2 ASP 50 17.245 15.906 -2.907 86 HB3 ASP 50 HB3 ASP 50 18.003 14.363 -2.516 87 H SER 51 H SER 51 20.656 13.970 -3.196 88 HA SER 51 HA SER 51 21.373 12.873 -0.735 89 HB2 SER 51 HB2 SER 51 22.961 11.523 -1.971 90 HB3 SER 51 HB3 SER 51 21.495 11.706 -2.926 91 HG SER 51 HG SER 51 23.869 12.304 -3.660 92 H LYS 52 H LYS 52 22.920 15.462 -2.543 93 HA LYS 52 HA LYS 52 25.421 15.337 -1.151 94 HB2 LYS 52 HB2 LYS 52 24.134 17.558 -2.754 95 HB3 LYS 52 HB3 LYS 52 25.795 17.582 -2.160 96 HG2 LYS 52 HG2 LYS 52 26.235 15.471 -3.413 97 HG3 LYS 52 HG3 LYS 52 24.603 15.559 -4.078 98 HD2 LYS 52 HD2 LYS 52 25.156 17.806 -5.022 99 HD3 LYS 52 HD3 LYS 52 26.814 17.600 -4.456 100 HE2 LYS 52 HE2 LYS 52 25.498 15.538 -6.222 101 HE3 LYS 52 HE3 LYS 52 26.307 16.948 -6.905 102 HZ1 LYS 52 HZ1 LYS 52 27.641 14.793 -6.520 103 HZ2 LYS 52 HZ2 LYS 52 27.678 15.289 -4.896 104 HZ3 LYS 52 HZ3 LYS 52 28.345 16.280 -6.105 105 H LEU 53 H LEU 53 25.930 16.096 0.791 106 HA LEU 53 HA LEU 53 24.007 17.169 2.565 107 HB2 LEU 53 HB2 LEU 53 27.026 17.220 2.782 108 HB3 LEU 53 HB3 LEU 53 25.887 17.470 4.105 109 HG LEU 53 HG LEU 53 26.061 14.943 2.437 110 HD11 LEU 53 HD11 LEU 53 27.240 15.748 5.090 111 HD12 LEU 53 HD12 LEU 53 28.018 14.919 3.742 112 HD13 LEU 53 HD13 LEU 53 26.859 14.059 4.757 113 HD21 LEU 53 HD21 LEU 53 24.379 15.833 4.777 114 HD22 LEU 53 HD22 LEU 53 24.704 14.121 4.502 115 HD23 LEU 53 HD23 LEU 53 23.859 15.066 3.276 116 H LEU 54 H LEU 54 26.405 18.693 0.484 117 HA LEU 54 HA LEU 54 26.576 21.214 1.638 118 HB2 LEU 54 HB2 LEU 54 27.948 20.394 -0.273 119 HB3 LEU 54 HB3 LEU 54 26.549 20.606 -1.325 120 HG LEU 54 HG LEU 54 26.478 23.027 -0.568 121 HD11 LEU 54 HD11 LEU 54 28.743 23.840 0.305 122 HD12 LEU 54 HD12 LEU 54 29.097 22.151 0.668 123 HD13 LEU 54 HD13 LEU 54 27.741 22.958 1.458 124 HD21 LEU 54 HD21 LEU 54 27.461 22.299 -2.735 125 HD22 LEU 54 HD22 LEU 54 29.023 22.103 -1.941 126 HD23 LEU 54 HD23 LEU 54 28.296 23.704 -2.072 127 H THR 55 H THR 55 24.044 19.874 -0.425 128 HA THR 55 HA THR 55 22.761 22.230 -1.190 129 HB THR 55 HB THR 55 20.763 20.847 -1.509 130 HG1 THR 55 HG1 THR 55 22.210 19.035 0.019 131 HG21 THR 55 HG21 THR 55 23.352 19.426 -2.195 132 HG22 THR 55 HG22 THR 55 22.567 20.676 -3.159 133 HG23 THR 55 HG23 THR 55 21.788 19.108 -2.947 134 H HIS 56 H HIS 56 22.538 20.419 1.839 135 HA HIS 56 HA HIS 56 20.633 22.440 2.869 136 HB2 HIS 56 HB2 HIS 56 21.237 19.640 3.821 137 HB3 HIS 56 HB3 HIS 56 20.152 20.757 4.628 138 HD1 HIS 56 HD1 HIS 56 20.443 18.532 1.632 139 HD2 HIS 56 HD2 HIS 56 17.632 21.103 3.326 140 HE1 HIS 56 HE1 HIS 56 18.260 18.098 0.427 141 H ASN 57 H ASN 57 21.247 23.767 4.459 142 HA ASN 57 HA ASN 57 23.326 23.063 6.336 143 HB2 ASN 57 HB2 ASN 57 24.525 23.901 4.240 144 HB3 ASN 57 HB3 ASN 57 23.824 25.478 4.596 145 HD21 ASN 57 HD21 ASN 57 26.040 26.308 5.008 146 HD22 ASN 57 HD22 ASN 57 26.825 25.941 6.467 147 H SER 58 H SER 58 23.177 24.246 8.206 148 HA SER 58 HA SER 58 21.194 26.455 8.245 149 HB2 SER 58 HB2 SER 58 21.782 24.431 10.420 150 HB3 SER 58 HB3 SER 58 20.634 25.760 10.530 151 HG SER 58 HG SER 58 19.556 24.775 8.793 152 H TYR 59 H TYR 59 21.706 28.279 9.398 153 HA TYR 59 HA TYR 59 24.491 28.453 10.392 154 HB2 TYR 59 HB2 TYR 59 23.949 29.833 8.400 155 HB3 TYR 59 HB3 TYR 59 22.719 30.657 9.341 156 HD1 TYR 59 HD1 TYR 59 26.355 30.102 8.936 157 HD2 TYR 59 HD2 TYR 59 23.301 32.355 10.948 158 HE1 TYR 59 HE1 TYR 59 28.070 31.697 9.751 159 HE2 TYR 59 HE2 TYR 59 25.016 33.951 11.763 160 HH TYR 59 HH TYR 59 28.010 33.448 11.980 161 H GLN 60 H GLN 60 21.127 29.327 11.044 162 HA GLN 60 HA GLN 60 21.896 30.570 13.584 163 HB2 GLN 60 HB2 GLN 60 19.228 30.358 12.171 164 HB3 GLN 60 HB3 GLN 60 19.487 31.188 13.706 165 HG2 GLN 60 HG2 GLN 60 21.079 32.713 12.651 166 HG3 GLN 60 HG3 GLN 60 20.926 31.853 11.122 167 HE21 GLN 60 HE21 GLN 60 20.316 34.642 11.334 168 HE22 GLN 60 HE22 GLN 60 18.648 34.842 11.091 169 H ASN 61 H ASN 61 21.484 29.722 15.548 170 HA ASN 61 HA ASN 61 20.196 27.056 15.655 171 HB2 ASN 61 HB2 ASN 61 22.307 28.278 17.447 172 HB3 ASN 61 HB3 ASN 61 21.536 26.718 17.722 173 HD21 ASN 61 HD21 ASN 61 24.390 27.058 17.246 174 HD22 ASN 61 HD22 ASN 61 24.754 26.266 15.790 175 H ARG 62 H ARG 62 18.548 26.719 17.075 176 HA ARG 62 HA ARG 62 17.929 28.734 19.088 177 HB2 ARG 62 HB2 ARG 62 15.644 29.073 18.298 178 HB3 ARG 62 HB3 ARG 62 16.800 29.554 17.059 179 HG2 ARG 62 HG2 ARG 62 16.516 27.267 16.025 180 HG3 ARG 62 HG3 ARG 62 15.199 26.986 17.165 181 HD2 ARG 62 HD2 ARG 62 14.066 29.033 16.307 182 HD3 ARG 62 HD3 ARG 62 15.346 29.209 15.111 183 HE ARG 62 HE ARG 62 13.167 27.302 15.061 184 HH11 ARG 62 HH11 ARG 62 16.390 27.991 13.851 185 HH12 ARG 62 HH12 ARG 62 16.185 26.999 12.445 186 HH21 ARG 62 HH21 ARG 62 12.959 26.044 13.223 187 HH22 ARG 62 HH22 ARG 62 14.268 25.912 12.097 188 H LEU 63 H LEU 63 16.341 28.042 20.633 189 HA LEU 63 HA LEU 63 16.207 25.088 20.826 190 HB2 LEU 63 HB2 LEU 63 17.544 26.268 22.574 191 HB3 LEU 63 HB3 LEU 63 16.080 27.121 23.063 192 HG LEU 63 HG LEU 63 14.992 24.847 23.381 193 HD11 LEU 63 HD11 LEU 63 16.757 23.017 23.802 194 HD12 LEU 63 HD12 LEU 63 17.854 24.030 22.865 195 HD13 LEU 63 HD13 LEU 63 16.386 23.398 22.120 196 HD21 LEU 63 HD21 LEU 63 17.422 25.592 25.039 197 HD22 LEU 63 HD22 LEU 63 16.194 24.433 25.547 198 HD23 LEU 63 HD23 LEU 63 15.762 26.125 25.304 199 H PHE 64 H PHE 64 14.266 24.128 20.910 200 HA PHE 64 HA PHE 64 11.872 25.825 20.944 201 HB2 PHE 64 HB2 PHE 64 12.249 22.905 20.282 202 HB3 PHE 64 HB3 PHE 64 10.710 23.743 20.244 203 HD1 PHE 64 HD1 PHE 64 10.295 25.520 18.549 204 HD2 PHE 64 HD2 PHE 64 13.870 23.138 18.533 205 HE1 PHE 64 HE1 PHE 64 10.750 26.219 16.213 206 HE2 PHE 64 HE2 PHE 64 14.325 23.836 16.198 207 HZ PHE 64 HZ PHE 64 12.764 25.377 15.039 208 H TYR 65 H TYR 65 10.527 25.928 22.648 209 HA TYR 65 HA TYR 65 10.715 23.814 24.724 210 HB2 TYR 65 HB2 TYR 65 11.507 26.121 25.401 211 HB3 TYR 65 HB3 TYR 65 9.862 26.677 25.152 212 HD1 TYR 65 HD2 TYR 65 12.061 24.541 27.208 213 HD2 TYR 65 HD1 TYR 65 8.105 26.148 26.737 214 HE1 TYR 65 HE2 TYR 65 11.497 23.824 29.513 215 HE2 TYR 65 HE1 TYR 65 7.540 25.429 29.043 216 HH TYR 65 HH TYR 65 8.341 24.464 30.904 217 H THR 66 H THR 66 8.786 22.934 25.449 218 HA THR 66 HA THR 66 6.431 23.600 23.789 219 HB THR 66 HB THR 66 6.963 21.081 25.378 220 HG1 THR 66 HG1 THR 66 8.127 20.578 23.748 221 HG21 THR 66 HG21 THR 66 5.120 20.173 24.096 222 HG22 THR 66 HG22 THR 66 5.002 21.650 23.140 223 HG23 THR 66 HG23 THR 66 4.577 21.672 24.851 224 H LEU 67 H LEU 67 4.482 24.058 24.678 225 HA LEU 67 HA LEU 67 4.430 24.849 27.470 226 HB2 LEU 67 HB2 LEU 67 2.431 25.044 25.209 227 HB3 LEU 67 HB3 LEU 67 2.093 25.611 26.842 228 HG LEU 67 HG LEU 67 4.477 26.534 25.215 229 HD11 LEU 67 HD11 LEU 67 1.673 27.622 25.468 230 HD12 LEU 67 HD12 LEU 67 2.624 27.366 24.004 231 HD13 LEU 67 HD13 LEU 67 3.033 28.685 25.101 232 HD21 LEU 67 HD21 LEU 67 4.126 28.474 26.967 233 HD22 LEU 67 HD22 LEU 67 4.954 26.997 27.458 234 HD23 LEU 67 HD23 LEU 67 3.256 27.237 27.873 235 H LYS 68 H LYS 68 3.841 23.521 29.044 236 HA LYS 68 HA LYS 68 2.062 21.238 28.425 237 HB2 LYS 68 HB2 LYS 68 4.062 21.621 30.666 238 HB3 LYS 68 HB3 LYS 68 2.996 20.227 30.493 239 HG2 LYS 68 HG2 LYS 68 3.990 19.789 28.247 240 HG3 LYS 68 HG3 LYS 68 5.120 21.116 28.522 241 HD2 LYS 68 HD2 LYS 68 5.919 19.951 30.585 242 HD3 LYS 68 HD3 LYS 68 4.872 18.590 30.180 243 HE2 LYS 68 HE2 LYS 68 6.054 18.397 27.983 244 HE3 LYS 68 HE3 LYS 68 7.166 19.658 28.512 245 HZ1 LYS 68 HZ1 LYS 68 8.045 17.433 28.919 246 HZ2 LYS 68 HZ2 LYS 68 6.712 17.078 29.910 247 HZ3 LYS 68 HZ3 LYS 68 7.818 18.283 30.369 248 H THR 69 H THR 69 0.312 20.800 29.804 249 HA THR 69 HA THR 69 -1.146 22.992 30.713 250 HB THR 69 HB THR 69 -2.194 20.846 30.208 251 HG1 THR 69 HG1 THR 69 -3.540 21.683 31.555 252 HG21 THR 69 HG21 THR 69 -0.935 19.830 32.767 253 HG22 THR 69 HG22 THR 69 -0.301 19.474 31.161 254 HG23 THR 69 HG23 THR 69 -1.909 18.913 31.618 255 H GLY 70 H GLY 70 -1.249 24.121 32.560 256 HA2 GLY 70 HA2 GLY 70 -1.126 24.303 34.955 257 HA3 GLY 70 HA3 GLY 70 0.151 23.097 34.948 258 H GLU 71 H GLU 71 1.411 24.598 32.565 259 HA GLU 71 HA GLU 71 2.755 26.650 34.213 260 HB2 GLU 71 HB2 GLU 71 4.123 24.743 33.301 261 HB3 GLU 71 HB3 GLU 71 3.763 25.340 31.679 262 HG2 GLU 71 HG2 GLU 71 4.732 27.544 32.311 263 HG3 GLU 71 HG3 GLU 71 5.163 26.882 33.881 264 H THR 72 H THR 72 2.965 28.734 33.472 265 HA THR 72 HA THR 72 1.425 29.409 31.029 266 HB THR 72 HB THR 72 0.940 31.557 32.070 267 HG1 THR 72 HG1 THR 72 1.893 32.106 33.864 268 HG21 THR 72 HG21 THR 72 -0.564 29.644 32.533 269 HG22 THR 72 HG22 THR 72 -0.509 30.774 33.886 270 HG23 THR 72 HG23 THR 72 0.388 29.259 33.967 271 H VAL 73 H VAL 73 2.150 31.281 29.829 272 HA VAL 73 HA VAL 73 4.877 31.209 29.175 273 HB VAL 73 HB VAL 73 2.901 33.456 28.694 274 HG11 VAL 73 HG11 VAL 73 5.575 32.747 27.470 275 HG12 VAL 73 HG12 VAL 73 5.097 34.270 28.221 276 HG13 VAL 73 HG13 VAL 73 4.414 33.802 26.664 277 HG21 VAL 73 HG21 VAL 73 3.547 30.916 27.181 278 HG22 VAL 73 HG22 VAL 73 2.743 32.291 26.424 279 HG23 VAL 73 HG23 VAL 73 1.975 31.453 27.773 280 H ALA 74 H ALA 74 3.052 33.412 31.283 281 HA ALA 74 HA ALA 74 5.131 35.218 31.836 282 HB1 ALA 74 HB1 ALA 74 3.762 35.370 34.115 283 HB2 ALA 74 HB2 ALA 74 2.588 34.439 33.185 284 HB3 ALA 74 HB3 ALA 74 3.120 36.018 32.606 285 H ASP 75 H ASP 75 4.310 32.096 33.312 286 HA ASP 75 HA ASP 75 6.033 32.251 35.533 287 HB2 ASP 75 HB2 ASP 75 5.125 29.848 33.932 288 HB3 ASP 75 HB3 ASP 75 5.955 29.756 35.483 289 H LEU 76 H LEU 76 6.562 30.995 32.251 290 HA LEU 76 HA LEU 76 9.222 30.158 32.581 291 HB2 LEU 76 HB2 LEU 76 7.704 31.166 30.176 292 HB3 LEU 76 HB3 LEU 76 9.380 30.628 30.070 293 HG LEU 76 HG LEU 76 7.279 28.894 31.357 294 HD11 LEU 76 HD11 LEU 76 6.671 29.623 28.960 295 HD12 LEU 76 HD12 LEU 76 6.750 27.889 29.272 296 HD13 LEU 76 HD13 LEU 76 8.085 28.698 28.452 297 HD21 LEU 76 HD21 LEU 76 8.950 27.165 30.367 298 HD22 LEU 76 HD22 LEU 76 9.467 28.094 31.773 299 HD23 LEU 76 HD23 LEU 76 10.030 28.544 30.163 300 H SER 77 H SER 77 7.888 33.309 31.678 301 HA SER 77 HA SER 77 10.291 34.606 31.045 302 HB2 SER 77 HB2 SER 77 7.976 35.472 30.603 303 HB3 SER 77 HB3 SER 77 7.850 35.860 32.315 304 HG SER 77 HG SER 77 9.224 37.104 30.357 305 H LYS 78 H LYS 78 8.620 34.240 34.146 306 HA LYS 78 HA LYS 78 10.276 35.969 35.641 307 HB2 LYS 78 HB2 LYS 78 8.054 35.120 36.384 308 HB3 LYS 78 HB3 LYS 78 8.782 33.533 36.636 309 HG2 LYS 78 HG2 LYS 78 10.403 34.559 38.223 310 HG3 LYS 78 HG3 LYS 78 9.586 36.109 38.020 311 HD2 LYS 78 HD2 LYS 78 7.459 35.026 38.791 312 HD3 LYS 78 HD3 LYS 78 8.380 33.562 39.137 313 HE2 LYS 78 HE2 LYS 78 9.725 34.701 40.778 314 HE3 LYS 78 HE3 LYS 78 9.055 36.266 40.318 315 HZ1 LYS 78 HZ1 LYS 78 6.821 35.123 40.915 316 HZ2 LYS 78 HZ2 LYS 78 7.808 35.746 42.150 317 HZ3 LYS 78 HZ3 LYS 78 7.799 34.078 41.824 318 H SER 79 H SER 79 10.418 32.447 35.147 319 HA SER 79 HA SER 79 12.582 31.937 36.866 320 HB2 SER 79 HB2 SER 79 11.092 30.199 35.853 321 HB3 SER 79 HB3 SER 79 11.909 30.456 34.315 322 HG SER 79 HG SER 79 13.310 29.130 35.108 323 H GLN 80 H GLN 80 12.502 32.720 33.414 324 HA GLN 80 HA GLN 80 15.348 32.604 33.089 325 HB2 GLN 80 HB2 GLN 80 13.176 33.780 31.351 326 HB3 GLN 80 HB3 GLN 80 14.868 33.635 30.874 327 HG2 GLN 80 HG2 GLN 80 14.775 31.209 31.152 328 HG3 GLN 80 HG3 GLN 80 13.112 31.315 31.723 329 HE21 GLN 80 HE21 GLN 80 13.814 29.770 29.411 330 HE22 GLN 80 HE22 GLN 80 13.114 30.504 28.050 331 H ASP 81 H ASP 81 13.298 35.018 34.415 332 HA ASP 81 HA ASP 81 13.644 37.199 35.027 333 HB2 ASP 81 HB2 ASP 81 15.750 36.168 35.966 334 HB3 ASP 81 HB3 ASP 81 16.573 36.672 34.490 335 H ILE 82 H ILE 82 12.863 36.745 32.425 336 HA ILE 82 HA ILE 82 14.309 38.837 30.903 337 HB ILE 82 HB ILE 82 12.679 36.525 29.808 338 HG12 ILE 82 HG12 ILE 82 15.678 36.980 29.731 339 HG13 ILE 82 HG13 ILE 82 14.877 35.878 30.851 340 HG21 ILE 82 HG21 ILE 82 14.422 38.593 28.430 341 HG22 ILE 82 HG22 ILE 82 12.659 38.564 28.401 342 HG23 ILE 82 HG23 ILE 82 13.575 37.264 27.638 343 HD11 ILE 82 HD11 ILE 82 15.026 35.694 27.841 344 HD12 ILE 82 HD12 ILE 82 13.825 34.795 28.769 345 HD13 ILE 82 HD13 ILE 82 15.545 34.505 29.034 346 H ASN 83 H ASN 83 13.057 40.391 29.827 347 HA ASN 83 HA ASN 83 10.565 41.014 31.120 348 HB2 ASN 83 HB2 ASN 83 11.995 42.318 28.794 349 HB3 ASN 83 HB3 ASN 83 10.565 42.974 29.587 350 HD21 ASN 83 HD21 ASN 83 13.165 44.301 29.534 351 HD22 ASN 83 HD22 ASN 83 13.706 44.404 31.140 352 H LEU 84 H LEU 84 8.518 40.779 30.381 353 HA LEU 84 HA LEU 84 7.896 38.857 28.448 354 HB2 LEU 84 HB2 LEU 84 6.179 41.139 29.455 355 HB3 LEU 84 HB3 LEU 84 5.586 39.729 28.578 356 HG LEU 84 HG LEU 84 7.083 39.596 31.213 357 HD11 LEU 84 HD11 LEU 84 4.684 38.793 31.930 358 HD12 LEU 84 HD12 LEU 84 4.159 39.711 30.519 359 HD13 LEU 84 HD13 LEU 84 5.022 40.521 31.827 360 HD21 LEU 84 HD21 LEU 84 6.069 37.249 31.159 361 HD22 LEU 84 HD22 LEU 84 7.361 37.548 29.998 362 HD23 LEU 84 HD23 LEU 84 5.681 37.557 29.467 363 H SER 85 H SER 85 8.273 42.361 28.131 364 HA SER 85 HA SER 85 7.164 42.670 25.567 365 HB2 SER 85 HB2 SER 85 7.855 44.537 27.097 366 HB3 SER 85 HB3 SER 85 9.533 44.173 26.703 367 HG SER 85 HG SER 85 7.685 45.470 25.266 368 H THR 86 H THR 86 10.455 41.816 26.597 369 HA THR 86 HA THR 86 11.638 41.810 24.034 370 HB THR 86 HB THR 86 12.386 40.083 26.406 371 HG1 THR 86 HG1 THR 86 13.268 42.633 25.725 372 HG21 THR 86 HG21 THR 86 13.837 41.019 23.924 373 HG22 THR 86 HG22 THR 86 13.579 39.361 24.468 374 HG23 THR 86 HG23 THR 86 14.686 40.415 25.347 375 H ILE 87 H ILE 87 10.072 39.230 25.907 376 HA ILE 87 HA ILE 87 10.612 37.095 24.172 377 HB ILE 87 HB ILE 87 8.156 37.504 25.903 378 HG12 ILE 87 HG12 ILE 87 10.764 36.086 26.530 379 HG13 ILE 87 HG13 ILE 87 10.367 37.710 27.089 380 HG21 ILE 87 HG21 ILE 87 9.451 34.948 24.904 381 HG22 ILE 87 HG22 ILE 87 8.003 35.668 24.199 382 HG23 ILE 87 HG23 ILE 87 7.975 35.077 25.861 383 HD11 ILE 87 HD11 ILE 87 8.794 35.192 27.703 384 HD12 ILE 87 HD12 ILE 87 8.359 36.818 28.231 385 HD13 ILE 87 HD13 ILE 87 9.836 36.062 28.829 386 H TRP 88 H TRP 88 7.887 39.366 24.246 387 HA TRP 88 HA TRP 88 6.421 38.278 22.119 388 HB2 TRP 88 HB2 TRP 88 5.554 40.001 23.647 389 HB3 TRP 88 HB3 TRP 88 6.648 41.175 22.938 390 HD1 TRP 88 HD1 TRP 88 3.598 39.016 22.034 391 HE1 TRP 88 HE1 TRP 88 2.338 40.162 20.100 392 HE3 TRP 88 HE3 TRP 88 6.813 42.856 21.039 393 HZ2 TRP 88 HZ2 TRP 88 2.653 42.411 18.356 394 HZ3 TRP 88 HZ3 TRP 88 6.313 44.480 19.239 395 HH2 TRP 88 HH2 TRP 88 4.240 44.265 17.897 396 H SER 89 H SER 89 8.970 40.781 22.072 397 HA SER 89 HA SER 89 8.770 41.515 19.404 398 HB2 SER 89 HB2 SER 89 11.008 42.369 19.594 399 HB3 SER 89 HB3 SER 89 10.219 42.594 21.150 400 HG SER 89 HG SER 89 12.297 41.004 20.473 401 H LEU 90 H LEU 90 10.555 38.788 20.818 402 HA LEU 90 HA LEU 90 11.700 37.929 18.349 403 HB2 LEU 90 HB2 LEU 90 11.150 36.365 20.882 404 HB3 LEU 90 HB3 LEU 90 12.193 35.841 19.560 405 HG LEU 90 HG LEU 90 12.608 38.393 21.143 406 HD11 LEU 90 HD11 LEU 90 14.158 35.794 21.309 407 HD12 LEU 90 HD12 LEU 90 12.910 36.257 22.465 408 HD13 LEU 90 HD13 LEU 90 14.373 37.229 22.311 409 HD21 LEU 90 HD21 LEU 90 13.597 38.585 18.968 410 HD22 LEU 90 HD22 LEU 90 14.193 36.925 19.020 411 HD23 LEU 90 HD23 LEU 90 14.912 38.153 20.061 412 H ASN 91 H ASN 91 8.910 36.714 20.221 413 HA ASN 91 HA ASN 91 8.247 34.865 18.079 414 HB2 ASN 91 HB2 ASN 91 7.033 35.351 20.796 415 HB3 ASN 91 HB3 ASN 91 6.433 34.149 19.653 416 HD21 ASN 91 HD21 ASN 91 9.584 35.138 21.132 417 HD22 ASN 91 HD22 ASN 91 10.158 33.546 21.288 418 H LYS 92 H LYS 92 7.648 38.049 18.237 419 HA LYS 92 HA LYS 92 4.957 38.455 17.913 420 HB2 LYS 92 HB2 LYS 92 5.513 40.419 16.628 421 HB3 LYS 92 HB3 LYS 92 6.701 40.221 17.912 422 HG2 LYS 92 HG2 LYS 92 8.228 39.117 16.263 423 HG3 LYS 92 HG3 LYS 92 7.057 39.476 14.993 424 HD2 LYS 92 HD2 LYS 92 7.222 41.918 15.711 425 HD3 LYS 92 HD3 LYS 92 8.618 41.443 16.680 426 HE2 LYS 92 HE2 LYS 92 9.819 40.699 14.735 427 HE3 LYS 92 HE3 LYS 92 8.388 40.862 13.718 428 HZ1 LYS 92 HZ1 LYS 92 8.656 43.321 14.829 429 HZ2 LYS 92 HZ2 LYS 92 9.168 42.883 13.269 430 HZ3 LYS 92 HZ3 LYS 92 10.267 42.859 14.564 431 H HIS 93 H HIS 93 7.125 36.873 15.650 432 HA HIS 93 HA HIS 93 5.335 37.010 13.423 433 HB2 HIS 93 HB2 HIS 93 6.835 35.544 12.311 434 HB3 HIS 93 HB3 HIS 93 7.791 36.678 13.237 435 HD1 HIS 93 HD1 HIS 93 9.026 35.695 15.391 436 HD2 HIS 93 HD2 HIS 93 7.173 32.855 12.960 437 HE1 HIS 93 HE1 HIS 93 9.996 33.457 16.041 438 H LEU 94 H LEU 94 5.856 34.680 16.029 439 HA LEU 94 HA LEU 94 4.216 32.631 14.889 440 HB2 LEU 94 HB2 LEU 94 4.996 33.084 17.778 441 HB3 LEU 94 HB3 LEU 94 4.330 31.597 17.107 442 HG LEU 94 HG LEU 94 6.927 32.876 16.214 443 HD11 LEU 94 HD11 LEU 94 6.626 30.297 17.750 444 HD12 LEU 94 HD12 LEU 94 6.785 31.842 18.586 445 HD13 LEU 94 HD13 LEU 94 8.074 31.277 17.523 446 HD21 LEU 94 HD21 LEU 94 5.979 31.588 14.419 447 HD22 LEU 94 HD22 LEU 94 5.515 30.288 15.517 448 HD23 LEU 94 HD23 LEU 94 7.218 30.575 15.160 449 H TYR 95 H TYR 95 3.636 35.164 17.315 450 HA TYR 95 HA TYR 95 0.737 34.555 17.161 451 HB2 TYR 95 HB2 TYR 95 2.269 35.788 19.452 452 HB3 TYR 95 HB3 TYR 95 0.554 35.429 19.425 453 HD1 TYR 95 HD2 TYR 95 -0.204 33.024 19.304 454 HD2 TYR 95 HD1 TYR 95 3.888 34.130 19.997 455 HE1 TYR 95 HE2 TYR 95 0.266 30.746 20.164 456 HE2 TYR 95 HE1 TYR 95 4.358 31.852 20.859 457 HH TYR 95 HH TYR 95 3.382 29.600 20.708 458 H SER 96 H SER 96 -0.714 36.287 17.123 459 HA SER 96 HA SER 96 0.276 38.513 15.583 460 HB2 SER 96 HB2 SER 96 -2.521 37.949 16.585 461 HB3 SER 96 HB3 SER 96 -2.071 39.125 15.354 462 HG SER 96 HG SER 96 -2.349 37.443 14.124 463 H SER 97 H SER 97 -0.986 38.061 18.867 464 HA SER 97 HA SER 97 -0.127 40.756 19.564 465 HB2 SER 97 HB2 SER 97 -2.284 41.531 20.291 466 HB3 SER 97 HB3 SER 97 -2.434 41.004 18.619 467 HG SER 97 HG SER 97 -3.893 40.204 20.483 468 H GLU 98 H GLU 98 -0.627 41.238 21.901 469 HA GLU 98 HA GLU 98 0.489 39.267 23.563 470 HB2 GLU 98 HB2 GLU 98 -1.145 41.715 24.265 471 HB3 GLU 98 HB3 GLU 98 -0.228 40.756 25.425 472 HG2 GLU 98 HG2 GLU 98 0.951 42.140 23.002 473 HG3 GLU 98 HG3 GLU 98 1.029 42.755 24.648 474 H SER 99 H SER 99 -2.883 40.055 22.845 475 HA SER 99 HA SER 99 -4.125 38.813 25.016 476 HB2 SER 99 HB2 SER 99 -5.261 40.233 23.293 477 HB3 SER 99 HB3 SER 99 -5.158 38.878 22.174 478 HG SER 99 HG SER 99 -6.588 39.091 24.541 479 H GLU 100 H GLU 100 -3.172 37.438 21.876 480 HA GLU 100 HA GLU 100 -4.196 34.853 22.324 481 HB2 GLU 100 HB2 GLU 100 -1.917 35.805 20.581 482 HB3 GLU 100 HB3 GLU 100 -2.578 34.168 20.536 483 HG2 GLU 100 HG2 GLU 100 -4.825 35.109 20.058 484 HG3 GLU 100 HG3 GLU 100 -4.130 36.724 20.037 485 H MET 101 H MET 101 -1.115 36.327 23.243 486 HA MET 101 HA MET 101 0.199 33.947 24.040 487 HB2 MET 101 HB2 MET 101 0.518 36.793 25.024 488 HB3 MET 101 HB3 MET 101 1.628 35.472 25.388 489 HG2 MET 101 HG2 MET 101 1.945 35.142 22.917 490 HG3 MET 101 HG3 MET 101 0.977 36.591 22.649 491 HE1 MET 101 HE1 MET 101 5.137 36.231 24.523 492 HE2 MET 101 HE2 MET 101 4.117 34.959 23.856 493 HE3 MET 101 HE3 MET 101 3.719 35.670 25.418 494 H MET 102 H MET 102 -1.742 36.304 25.872 495 HA MET 102 HA MET 102 -1.457 35.126 28.402 496 HB2 MET 102 HB2 MET 102 -3.719 36.772 27.252 497 HB3 MET 102 HB3 MET 102 -3.561 36.358 28.960 498 HG2 MET 102 HG2 MET 102 -1.320 37.444 28.985 499 HG3 MET 102 HG3 MET 102 -1.564 37.930 27.308 500 HE1 MET 102 HE1 MET 102 -1.012 40.194 29.686 501 HE2 MET 102 HE2 MET 102 -1.978 41.338 28.756 502 HE3 MET 102 HE3 MET 102 -0.984 40.148 27.918 503 H LYS 103 H LYS 103 -3.736 34.459 25.794 504 HA LYS 103 HA LYS 103 -5.222 32.560 27.439 505 HB2 LYS 103 HB2 LYS 103 -5.573 33.452 24.573 506 HB3 LYS 103 HB3 LYS 103 -6.647 32.336 25.418 507 HG2 LYS 103 HG2 LYS 103 -7.045 34.087 27.149 508 HG3 LYS 103 HG3 LYS 103 -6.063 35.206 26.203 509 HD2 LYS 103 HD2 LYS 103 -7.611 34.865 24.271 510 HD3 LYS 103 HD3 LYS 103 -8.633 33.871 25.309 511 HE2 LYS 103 HE2 LYS 103 -7.857 36.657 26.148 512 HE3 LYS 103 HE3 LYS 103 -9.218 36.394 25.059 513 HZ1 LYS 103 HZ1 LYS 103 -9.253 34.617 27.297 514 HZ2 LYS 103 HZ2 LYS 103 -10.469 35.653 26.718 515 HZ3 LYS 103 HZ3 LYS 103 -9.284 36.242 27.781 516 H ALA 104 H ALA 104 -2.317 32.136 26.226 517 HA ALA 104 HA ALA 104 -2.375 30.091 24.350 518 HB1 ALA 104 HB1 ALA 104 -0.461 30.710 26.595 519 HB2 ALA 104 HB2 ALA 104 -0.266 31.023 24.870 520 HB3 ALA 104 HB3 ALA 104 -0.189 29.371 25.480 521 H ALA 105 H ALA 105 -2.429 27.871 24.451 522 HA ALA 105 HA ALA 105 -3.336 26.666 26.999 523 HB1 ALA 105 HB1 ALA 105 -4.499 26.498 24.249 524 HB2 ALA 105 HB2 ALA 105 -5.316 26.612 25.808 525 HB3 ALA 105 HB3 ALA 105 -4.599 25.085 25.298 526 HA PRO 106 HA PRO 106 -0.295 23.539 26.520 527 HB2 PRO 106 HB2 PRO 106 -2.273 21.327 26.504 528 HB3 PRO 106 HB3 PRO 106 -0.949 21.655 27.639 529 HG2 PRO 106 HG2 PRO 106 -3.501 22.029 28.309 530 HG3 PRO 106 HG3 PRO 106 -2.207 23.087 28.905 531 HD2 PRO 106 HD2 PRO 106 -4.217 23.611 26.746 532 HD3 PRO 106 HD3 PRO 106 -3.546 24.726 27.958 533 H GLY 107 H GLY 107 0.796 22.384 24.946 534 HA2 GLY 107 HA2 GLY 107 0.880 20.932 23.043 535 HA3 GLY 107 HA3 GLY 107 -0.698 21.527 22.556 536 H GLN 108 H GLN 108 0.629 24.354 23.289 537 HA GLN 108 HA GLN 108 1.436 24.822 20.527 538 HB2 GLN 108 HB2 GLN 108 0.969 26.703 22.845 539 HB3 GLN 108 HB3 GLN 108 1.490 27.226 21.241 540 HG2 GLN 108 HG2 GLN 108 -0.516 26.136 20.259 541 HG3 GLN 108 HG3 GLN 108 -1.054 25.708 21.883 542 HE21 GLN 108 HE21 GLN 108 -0.778 28.344 19.577 543 HE22 GLN 108 HE22 GLN 108 -1.583 29.501 20.523 544 H GLN 109 H GLN 109 3.384 26.042 20.016 545 HA GLN 109 HA GLN 109 5.619 25.251 21.794 546 HB2 GLN 109 HB2 GLN 109 5.550 25.619 18.791 547 HB3 GLN 109 HB3 GLN 109 6.994 25.242 19.732 548 HG2 GLN 109 HG2 GLN 109 5.829 23.199 20.594 549 HG3 GLN 109 HG3 GLN 109 4.492 23.550 19.515 550 HE21 GLN 109 HE21 GLN 109 7.209 24.434 17.710 551 HE22 GLN 109 HE22 GLN 109 7.494 22.943 16.955 552 H ILE 110 H ILE 110 7.271 26.657 22.179 553 HA ILE 110 HA ILE 110 6.998 29.432 21.197 554 HB ILE 110 HB ILE 110 7.967 28.493 23.914 555 HG12 ILE 110 HG12 ILE 110 5.521 30.124 23.174 556 HG13 ILE 110 HG13 ILE 110 5.484 28.391 23.493 557 HG21 ILE 110 HG21 ILE 110 8.020 30.936 24.427 558 HG22 ILE 110 HG22 ILE 110 7.678 31.272 22.729 559 HG23 ILE 110 HG23 ILE 110 9.185 30.475 23.185 560 HD11 ILE 110 HD11 ILE 110 6.499 30.466 25.457 561 HD12 ILE 110 HD12 ILE 110 6.295 28.741 25.760 562 HD13 ILE 110 HD13 ILE 110 4.884 29.763 25.494 563 H ILE 111 H ILE 111 8.877 30.391 20.443 564 HA ILE 111 HA ILE 111 11.222 28.596 20.234 565 HB ILE 111 HB ILE 111 10.502 30.967 18.492 566 HG12 ILE 111 HG12 ILE 111 10.312 28.001 17.876 567 HG13 ILE 111 HG13 ILE 111 8.927 29.009 18.301 568 HG21 ILE 111 HG21 ILE 111 12.943 30.356 18.701 569 HG22 ILE 111 HG22 ILE 111 12.298 30.190 17.067 570 HG23 ILE 111 HG23 ILE 111 12.538 28.759 18.072 571 HD11 ILE 111 HD11 ILE 111 8.915 29.037 15.944 572 HD12 ILE 111 HD12 ILE 111 10.673 29.152 15.847 573 HD13 ILE 111 HD13 ILE 111 9.725 30.546 16.366 574 H LEU 112 H LEU 112 13.084 29.165 21.138 575 HA LEU 112 HA LEU 112 13.404 31.924 22.160 576 HB2 LEU 112 HB2 LEU 112 14.480 29.281 23.150 577 HB3 LEU 112 HB3 LEU 112 15.070 30.841 23.726 578 HG LEU 112 HG LEU 112 12.131 30.149 23.757 579 HD11 LEU 112 HD11 LEU 112 14.182 29.701 25.947 580 HD12 LEU 112 HD12 LEU 112 13.316 28.439 25.072 581 HD13 LEU 112 HD13 LEU 112 12.437 29.537 26.138 582 HD21 LEU 112 HD21 LEU 112 13.921 32.229 25.009 583 HD22 LEU 112 HD22 LEU 112 12.351 31.846 25.715 584 HD23 LEU 112 HD23 LEU 112 12.448 32.466 24.067 585 HA PRO 113 HA PRO 113 16.619 31.434 18.877 586 HB2 PRO 113 HB2 PRO 113 16.923 34.096 18.316 587 HB3 PRO 113 HB3 PRO 113 15.671 33.079 17.576 588 HG2 PRO 113 HG2 PRO 113 15.451 35.010 19.823 589 HG3 PRO 113 HG3 PRO 113 14.319 34.679 18.500 590 HD2 PRO 113 HD2 PRO 113 13.968 33.693 21.022 591 HD3 PRO 113 HD3 PRO 113 13.380 32.861 19.567 592 H LEU 114 H LEU 114 18.649 31.104 19.539 593 HA LEU 114 HA LEU 114 19.727 32.049 21.948 594 HB2 LEU 114 HB2 LEU 114 20.517 30.038 20.706 595 HB3 LEU 114 HB3 LEU 114 21.258 31.106 19.514 596 HG LEU 114 HG LEU 114 22.534 32.182 21.425 597 HD11 LEU 114 HD11 LEU 114 21.246 31.542 23.327 598 HD12 LEU 114 HD12 LEU 114 22.744 30.620 23.447 599 HD13 LEU 114 HD13 LEU 114 21.273 29.840 22.865 600 HD21 LEU 114 HD21 LEU 114 22.909 29.256 20.741 601 HD22 LEU 114 HD22 LEU 114 24.094 30.178 21.664 602 HD23 LEU 114 HD23 LEU 114 23.711 30.646 20.007 603 H LYS 115 H LYS 115 19.992 33.307 18.648 604 HA LYS 115 HA LYS 115 21.866 35.376 19.488 605 HB2 LYS 115 HB2 LYS 115 20.560 34.797 16.820 606 HB3 LYS 115 HB3 LYS 115 21.757 36.064 17.098 607 HG2 LYS 115 HG2 LYS 115 23.352 34.327 17.910 608 HG3 LYS 115 HG3 LYS 115 22.167 33.087 17.498 609 HD2 LYS 115 HD2 LYS 115 22.186 33.912 15.140 610 HD3 LYS 115 HD3 LYS 115 23.472 35.037 15.579 611 HE2 LYS 115 HE2 LYS 115 23.733 32.079 16.108 612 HE3 LYS 115 HE3 LYS 115 24.179 32.775 14.551 613 HZ1 LYS 115 HZ1 LYS 115 25.319 33.389 17.213 614 HZ2 LYS 115 HZ2 LYS 115 25.573 34.384 15.859 615 HZ3 LYS 115 HZ3 LYS 115 26.121 32.776 15.849 616 H LYS 116 H LYS 116 21.237 37.267 20.273 617 HA LYS 116 HA LYS 116 18.473 38.188 19.767 618 HB2 LYS 116 HB2 LYS 116 20.387 38.846 22.013 619 HB3 LYS 116 HB3 LYS 116 18.784 39.554 21.815 620 HG2 LYS 116 HG2 LYS 116 17.803 37.261 21.880 621 HG3 LYS 116 HG3 LYS 116 19.411 36.614 22.202 622 HD2 LYS 116 HD2 LYS 116 19.543 38.064 24.233 623 HD3 LYS 116 HD3 LYS 116 17.878 38.569 23.939 624 HE2 LYS 116 HE2 LYS 116 17.249 36.103 23.978 625 HE3 LYS 116 HE3 LYS 116 18.873 35.787 24.586 626 HZ1 LYS 116 HZ1 LYS 116 18.286 37.587 26.304 627 HZ2 LYS 116 HZ2 LYS 116 17.638 36.029 26.503 628 HZ3 LYS 116 HZ3 LYS 116 16.676 37.276 25.865 629 H LEU 117 H LEU 117 20.873 38.651 17.981 630 HA LEU 117 HA LEU 117 20.804 41.614 18.024 631 HB2 LEU 117 HB2 LEU 117 23.012 40.587 18.753 632 HB3 LEU 117 HB3 LEU 117 23.167 39.972 17.107 633 HG LEU 117 HG LEU 117 22.732 42.405 16.357 634 HD11 LEU 117 HD11 LEU 117 23.172 42.700 19.319 635 HD12 LEU 117 HD12 LEU 117 21.991 43.507 18.288 636 HD13 LEU 117 HD13 LEU 117 23.689 43.978 18.219 637 HD21 LEU 117 HD21 LEU 117 24.927 41.278 16.200 638 HD22 LEU 117 HD22 LEU 117 25.271 41.716 17.874 639 HD23 LEU 117 HD23 LEU 117 25.120 42.973 16.646 640 HA PRO 118 HA PRO 118 19.074 40.072 13.973 641 HB2 PRO 118 HB2 PRO 118 17.868 42.793 14.112 642 HB3 PRO 118 HB3 PRO 118 17.118 41.246 13.673 643 HG2 PRO 118 HG2 PRO 118 16.639 42.401 16.017 644 HG3 PRO 118 HG3 PRO 118 16.763 40.639 15.855 645 HD2 PRO 118 HD2 PRO 118 18.743 42.563 17.004 646 HD3 PRO 118 HD3 PRO 118 18.389 40.887 17.479 647 H PHE 119 H PHE 119 20.477 40.253 12.328 648 HA PHE 119 HA PHE 119 22.471 42.233 12.141 649 HB2 PHE 119 HB2 PHE 119 22.963 41.297 9.966 650 HB3 PHE 119 HB3 PHE 119 22.645 40.010 11.112 651 HD1 PHE 119 HD2 PHE 119 20.509 38.734 11.000 652 HD2 PHE 119 HD1 PHE 119 21.564 41.678 8.057 653 HE1 PHE 119 HE2 PHE 119 18.787 37.819 9.468 654 HE2 PHE 119 HE1 PHE 119 19.842 40.763 6.524 655 HZ PHE 119 HZ PHE 119 18.454 38.834 7.229 656 H GLU 120 H GLU 120 19.276 41.981 10.641 657 HA GLU 120 HA GLU 120 19.514 44.020 8.740 658 HB2 GLU 120 HB2 GLU 120 17.087 43.174 10.342 659 HB3 GLU 120 HB3 GLU 120 17.045 44.181 8.894 660 HG2 GLU 120 HG2 GLU 120 18.157 42.353 7.625 661 HG3 GLU 120 HG3 GLU 120 18.097 41.344 9.064 662 H TYR 121 H TYR 121 19.219 46.215 8.786 663 HA TYR 121 HA TYR 121 19.111 47.471 11.468 664 HB2 TYR 121 HB2 TYR 121 21.218 47.721 10.112 665 HB3 TYR 121 HB3 TYR 121 20.279 48.627 8.941 666 HD1 TYR 121 HD1 TYR 121 21.126 48.566 12.589 667 HD2 TYR 121 HD2 TYR 121 20.109 50.951 9.164 668 HE1 TYR 121 HE1 TYR 121 21.518 50.628 13.909 669 HE2 TYR 121 HE2 TYR 121 20.497 53.012 10.485 670 HH TYR 121 HH TYR 121 20.514 53.618 12.949 671 H SER 122 H SER 122 16.755 46.725 9.872 672 HA SER 122 HA SER 122 15.673 48.930 8.493 673 HB2 SER 122 HB2 SER 122 13.542 47.810 8.722 674 HB3 SER 122 HB3 SER 122 14.784 46.601 8.419 675 HG SER 122 HG SER 122 13.223 46.929 10.559 676 H ALA 123 H ALA 123 15.738 48.132 11.932 677 HA ALA 123 HA ALA 123 13.801 50.057 12.742 678 HB1 ALA 123 HB1 ALA 123 14.812 48.010 14.030 679 HB2 ALA 123 HB2 ALA 123 14.340 49.456 14.921 680 HB3 ALA 123 HB3 ALA 123 16.037 49.175 14.532 681 H LEU 124 H LEU 124 14.018 52.148 13.393 682 HA LEU 124 HA LEU 124 16.711 53.367 13.274 683 HB2 LEU 124 HB2 LEU 124 15.324 53.802 11.195 684 HB3 LEU 124 HB3 LEU 124 14.207 54.697 12.226 685 HG LEU 124 HG LEU 124 16.299 55.996 13.023 686 HD11 LEU 124 HD11 LEU 124 18.054 54.637 12.135 687 HD12 LEU 124 HD12 LEU 124 18.035 56.098 11.148 688 HD13 LEU 124 HD13 LEU 124 17.315 54.610 10.533 689 HD21 LEU 124 HD21 LEU 124 14.487 56.878 11.529 690 HD22 LEU 124 HD22 LEU 124 15.415 56.319 10.139 691 HD23 LEU 124 HD23 LEU 124 16.068 57.578 11.187 692 HA PRO 125 HA PRO 125 14.597 54.261 17.328 693 HB2 PRO 125 HB2 PRO 125 17.432 54.589 18.169 694 HB3 PRO 125 HB3 PRO 125 16.117 53.688 18.947 695 HG2 PRO 125 HG2 PRO 125 18.093 52.446 17.672 696 HG3 PRO 125 HG3 PRO 125 16.429 51.832 17.641 697 HD2 PRO 125 HD2 PRO 125 17.937 53.276 15.496 698 HD3 PRO 125 HD3 PRO 125 16.735 51.974 15.352 699 H LEU 126 H LEU 126 13.775 56.281 17.258 700 HA LEU 126 HA LEU 126 15.554 58.544 16.648 701 HB2 LEU 126 HB2 LEU 126 12.536 58.471 16.877 702 HB3 LEU 126 HB3 LEU 126 13.507 59.834 16.325 703 HG LEU 126 HG LEU 126 13.414 57.118 14.980 704 HD11 LEU 126 HD11 LEU 126 11.299 58.215 14.644 705 HD12 LEU 126 HD12 LEU 126 12.239 58.448 13.171 706 HD13 LEU 126 HD13 LEU 126 12.086 59.763 14.337 707 HD21 LEU 126 HD21 LEU 126 14.858 59.709 14.419 708 HD22 LEU 126 HD22 LEU 126 14.489 58.579 13.116 709 HD23 LEU 126 HD23 LEU 126 15.513 58.073 14.459 710 H LEU 127 H LEU 127 16.095 60.039 18.129 711 HA LEU 127 HA LEU 127 15.000 59.744 20.855 712 HB2 LEU 127 HB2 LEU 127 17.484 61.207 19.925 713 HB3 LEU 127 HB3 LEU 127 16.985 60.959 21.597 714 HG LEU 127 HG LEU 127 17.617 58.732 19.637 715 HD11 LEU 127 HD11 LEU 127 19.219 59.919 21.922 716 HD12 LEU 127 HD12 LEU 127 19.645 59.954 20.211 717 HD13 LEU 127 HD13 LEU 127 19.635 58.423 21.086 718 HD21 LEU 127 HD21 LEU 127 16.816 58.827 22.549 719 HD22 LEU 127 HD22 LEU 127 17.696 57.451 21.885 720 HD23 LEU 127 HD23 LEU 127 16.106 57.869 21.249 721 H GLY 128 H GLY 128 14.007 61.435 21.883 722 HA2 GLY 128 HA2 GLY 128 13.608 63.920 20.307 723 HA3 GLY 128 HA3 GLY 128 12.306 63.139 21.197 724 H SER 129 H SER 129 14.426 65.630 21.307 725 HA SER 129 HA SER 129 15.392 65.686 23.939 726 HB2 SER 129 HB2 SER 129 16.056 67.268 22.130 727 HB3 SER 129 HB3 SER 129 14.484 68.047 22.281 728 HG SER 129 HG SER 129 15.088 68.778 24.199 729 H ALA 130 H ALA 130 12.215 66.496 22.641 730 HA ALA 130 HA ALA 130 11.301 67.201 25.369 731 HB1 ALA 130 HB1 ALA 130 9.851 67.893 22.824 732 HB2 ALA 130 HB2 ALA 130 11.144 68.915 23.452 733 HB3 ALA 130 HB3 ALA 130 9.695 68.630 24.418 734 HA PRO 131 HA PRO 131 9.353 63.114 24.378 735 HB2 PRO 131 HB2 PRO 131 8.859 62.448 27.019 736 HB3 PRO 131 HB3 PRO 131 10.341 62.037 26.137 737 HG2 PRO 131 HG2 PRO 131 9.838 64.246 28.057 738 HG3 PRO 131 HG3 PRO 131 11.281 63.236 27.843 739 HD2 PRO 131 HD2 PRO 131 11.164 65.769 26.895 740 HD3 PRO 131 HD3 PRO 131 12.073 64.490 26.058 741 H LEU 132 H LEU 132 7.305 63.212 23.721 742 HA LEU 132 HA LEU 132 5.435 65.146 24.521 743 HB2 LEU 132 HB2 LEU 132 4.908 62.452 23.245 744 HB3 LEU 132 HB3 LEU 132 3.800 63.823 23.266 745 HG LEU 132 HG LEU 132 6.564 63.862 22.018 746 HD11 LEU 132 HD11 LEU 132 3.798 63.458 20.867 747 HD12 LEU 132 HD12 LEU 132 5.228 62.450 20.645 748 HD13 LEU 132 HD13 LEU 132 5.142 64.039 19.884 749 HD21 LEU 132 HD21 LEU 132 5.496 65.962 20.940 750 HD22 LEU 132 HD22 LEU 132 6.012 66.085 22.621 751 HD23 LEU 132 HD23 LEU 132 4.306 65.856 22.237 752 H VAL 133 H VAL 133 6.028 61.880 25.721 753 HA VAL 133 HA VAL 133 3.934 62.315 27.774 754 HB VAL 133 HB VAL 133 3.268 60.588 26.157 755 HG11 VAL 133 HG11 VAL 133 5.829 59.222 27.030 756 HG12 VAL 133 HG12 VAL 133 5.481 59.860 25.424 757 HG13 VAL 133 HG13 VAL 133 4.573 58.480 26.040 758 HG21 VAL 133 HG21 VAL 133 4.068 59.132 28.668 759 HG22 VAL 133 HG22 VAL 133 2.565 59.015 27.751 760 HG23 VAL 133 HG23 VAL 133 2.888 60.442 28.736 761 H ALA 134 H ALA 134 4.482 61.977 29.852 762 HA ALA 134 HA ALA 134 7.247 61.943 30.547 763 HB1 ALA 134 HB1 ALA 134 6.180 61.618 32.919 764 HB2 ALA 134 HB2 ALA 134 4.667 61.943 32.072 765 HB3 ALA 134 HB3 ALA 134 5.960 63.143 32.061 766 H ALA 135 H ALA 135 4.673 59.517 30.611 767 HA ALA 135 HA ALA 135 5.992 57.574 32.159 768 HB1 ALA 135 HB1 ALA 135 4.349 56.052 31.392 769 HB2 ALA 135 HB2 ALA 135 4.122 56.934 29.882 770 HB3 ALA 135 HB3 ALA 135 3.546 57.622 31.400 771 H GLY 136 H GLY 136 6.063 58.221 28.679 772 HA2 GLY 136 HA2 GLY 136 7.874 55.991 28.190 773 HA3 GLY 136 HA3 GLY 136 7.241 57.109 26.985 774 H GLY 137 H GLY 137 9.714 56.749 26.502 775 HA2 GLY 137 HA2 GLY 137 11.480 58.266 26.036 776 HA3 GLY 137 HA3 GLY 137 11.061 59.164 27.491 777 H VAL 138 H VAL 138 13.487 57.514 26.282 778 HA VAL 138 HA VAL 138 14.301 56.404 28.900 779 HB VAL 138 HB VAL 138 15.495 54.605 27.698 780 HG11 VAL 138 HG11 VAL 138 13.137 54.332 28.546 781 HG12 VAL 138 HG12 VAL 138 13.538 53.272 27.194 782 HG13 VAL 138 HG13 VAL 138 12.567 54.719 26.923 783 HG21 VAL 138 HG21 VAL 138 15.105 54.240 25.325 784 HG22 VAL 138 HG22 VAL 138 15.717 55.880 25.540 785 HG23 VAL 138 HG23 VAL 138 13.997 55.610 25.257 786 H ALA 139 H ALA 139 16.624 56.369 29.235 787 HA ALA 139 HA ALA 139 18.194 58.084 27.445 788 HB1 ALA 139 HB1 ALA 139 18.376 58.629 30.378 789 HB2 ALA 139 HB2 ALA 139 17.038 59.334 29.469 790 HB3 ALA 139 HB3 ALA 139 18.703 59.699 29.014 791 H GLY 140 H GLY 140 20.463 57.872 27.712 792 HA2 GLY 140 HA2 GLY 140 21.364 55.660 29.449 793 HA3 GLY 140 HA3 GLY 140 21.775 55.657 27.736 794 H HIS 141 H HIS 141 21.644 58.408 29.970 795 HA HIS 141 HA HIS 141 24.497 58.936 29.369 796 HB2 HIS 141 HB2 HIS 141 22.291 60.842 30.161 797 HB3 HIS 141 HB3 HIS 141 23.966 61.287 29.897 798 HD1 HIS 141 HD1 HIS 141 24.846 60.671 27.339 799 HD2 HIS 141 HD2 HIS 141 20.735 61.067 27.908 800 HE1 HIS 141 HE1 HIS 141 23.839 61.039 25.046 801 H THR 142 H THR 142 25.922 59.080 30.994 802 HA THR 142 HA THR 142 25.231 58.194 33.605 803 HB THR 142 HB THR 142 27.567 58.667 34.163 804 HG1 THR 142 HG1 THR 142 28.781 59.593 32.408 805 HG21 THR 142 HG21 THR 142 26.976 56.641 32.829 806 HG22 THR 142 HG22 THR 142 28.608 57.223 32.502 807 HG23 THR 142 HG23 THR 142 27.309 57.554 31.356 808 H ASN 143 H ASN 143 25.650 61.395 32.189 809 HA ASN 143 HA ASN 143 25.864 62.851 34.610 810 HB2 ASN 143 HB2 ASN 143 24.780 63.735 31.926 811 HB3 ASN 143 HB3 ASN 143 25.259 64.803 33.243 812 HD21 ASN 143 HD21 ASN 143 26.430 64.267 30.408 813 HD22 ASN 143 HD22 ASN 143 28.083 64.026 30.710 814 H GLY 144 H GLY 144 24.180 64.441 35.340 815 HA2 GLY 144 HA2 GLY 144 22.014 64.999 35.972 816 HA3 GLY 144 HA3 GLY 144 21.406 63.746 34.895 817 H SER 145 H SER 145 23.808 63.276 37.448 818 HA SER 145 HA SER 145 22.472 61.027 38.532 819 HB2 SER 145 HB2 SER 145 24.602 62.776 39.786 820 HB3 SER 145 HB3 SER 145 24.128 61.175 40.341 821 HG SER 145 HG SER 145 25.772 61.836 38.378 822 H GLY 146 H GLY 146 21.524 60.800 40.640 823 HA2 GLY 146 HA2 GLY 146 20.450 63.290 41.813 824 HA3 GLY 146 HA3 GLY 146 19.367 61.960 41.415 825 H SER 147 H SER 147 20.760 63.364 43.942 826 HA SER 147 HA SER 147 22.040 61.348 45.410 827 HB2 SER 147 HB2 SER 147 21.981 63.765 46.028 828 HB3 SER 147 HB3 SER 147 20.297 63.566 46.503 829 HG SER 147 HG SER 147 20.958 62.457 48.183 830 H GLU 148 H GLU 148 18.600 62.062 44.992 831 HA GLU 148 HA GLU 148 17.604 60.459 47.080 832 HB2 GLU 148 HB2 GLU 148 16.347 61.160 44.417 833 HB3 GLU 148 HB3 GLU 148 15.486 60.469 45.793 834 HG2 GLU 148 HG2 GLU 148 16.991 63.100 45.817 835 HG3 GLU 148 HG3 GLU 148 15.244 62.935 45.697 836 H ASN 149 H ASN 149 17.474 58.329 47.341 837 HA ASN 149 HA ASN 149 18.573 56.488 45.488 838 HB2 ASN 149 HB2 ASN 149 16.777 56.043 47.881 839 HB3 ASN 149 HB3 ASN 149 17.610 54.763 47.003 840 HD21 ASN 149 HD21 ASN 149 18.094 55.403 49.809 841 HD22 ASN 149 HD22 ASN 149 19.704 55.927 49.930 842 H LEU 150 H LEU 150 15.253 57.490 46.194 843 HA LEU 150 HA LEU 150 14.244 55.635 44.149 844 HB2 LEU 150 HB2 LEU 150 13.138 55.758 46.401 845 HB3 LEU 150 HB3 LEU 150 12.671 57.417 46.022 846 HG LEU 150 HG LEU 150 11.548 56.530 43.938 847 HD11 LEU 150 HD11 LEU 150 12.423 53.956 45.231 848 HD12 LEU 150 HD12 LEU 150 12.516 54.431 43.535 849 HD13 LEU 150 HD13 LEU 150 10.961 53.999 44.244 850 HD21 LEU 150 HD21 LEU 150 9.558 56.000 45.092 851 HD22 LEU 150 HD22 LEU 150 10.465 56.951 46.268 852 HD23 LEU 150 HD23 LEU 150 10.425 55.194 46.399 853 H TYR 151 H TYR 151 13.687 56.314 42.181 854 HA TYR 151 HA TYR 151 14.374 58.896 41.282 855 HB2 TYR 151 HB2 TYR 151 12.624 56.813 39.975 856 HB3 TYR 151 HB3 TYR 151 13.305 58.215 39.171 857 HD1 TYR 151 HD2 TYR 151 15.800 58.397 38.898 858 HD2 TYR 151 HD1 TYR 151 13.890 54.833 40.346 859 HE1 TYR 151 HE2 TYR 151 17.851 57.095 38.400 860 HE2 TYR 151 HE1 TYR 151 15.941 53.531 39.848 861 HH TYR 151 HH TYR 151 18.200 53.806 39.382 862 H PHE 152 H PHE 152 11.284 57.503 42.272 863 HA PHE 152 HA PHE 152 9.958 60.085 41.682 864 HB2 PHE 152 HB2 PHE 152 8.784 57.325 42.043 865 HB3 PHE 152 HB3 PHE 152 7.857 58.788 41.768 866 HD1 PHE 152 HD2 PHE 152 7.998 59.963 39.574 867 HD2 PHE 152 HD1 PHE 152 9.916 56.183 40.267 868 HE1 PHE 152 HE2 PHE 152 8.236 59.634 37.126 869 HE2 PHE 152 HE1 PHE 152 10.154 55.855 37.820 870 HZ PHE 152 HZ PHE 152 9.314 57.580 36.250 871 H GLN 153 H GLN 153 8.683 61.062 43.252 872 HA GLN 153 HA GLN 153 9.490 60.581 45.973 873 HB2 GLN 153 HB2 GLN 153 7.455 62.479 44.782 874 HB3 GLN 153 HB3 GLN 153 7.936 62.466 46.478 875 HG2 GLN 153 HG2 GLN 153 10.254 62.930 45.862 876 HG3 GLN 153 HG3 GLN 153 9.838 62.858 44.152 877 HE21 GLN 153 HE21 GLN 153 10.993 65.207 45.319 878 HE22 GLN 153 HE22 GLN 153 9.832 66.445 45.280 Start of MODEL 7 1 H1 MET 39 HT1 MET 39 54.615 31.364 11.123 2 H2 MET 39 HT2 MET 39 55.283 32.040 9.715 3 H3 MET 39 HT3 MET 39 55.906 30.589 10.344 4 HA MET 39 HA MET 39 54.615 29.676 8.751 5 HB2 MET 39 HB2 MET 39 52.557 30.337 10.884 6 HB3 MET 39 HB3 MET 39 52.415 29.055 9.683 7 HG2 MET 39 HG2 MET 39 54.538 29.246 11.842 8 HG3 MET 39 HG3 MET 39 53.171 28.137 11.832 9 HE1 MET 39 HE1 MET 39 52.661 26.513 10.122 10 HE2 MET 39 HE2 MET 39 53.786 25.718 9.024 11 HE3 MET 39 HE3 MET 39 53.114 27.290 8.600 12 H ASN 40 H ASN 40 54.054 30.477 6.836 13 HA ASN 40 HA ASN 40 53.099 33.060 6.368 14 HB2 ASN 40 HB2 ASN 40 52.664 32.319 4.088 15 HB3 ASN 40 HB3 ASN 40 54.201 31.677 4.659 16 HD21 ASN 40 HD21 ASN 40 52.421 30.536 2.544 17 HD22 ASN 40 HD22 ASN 40 52.029 28.972 3.073 18 H GLY 41 H GLY 41 51.326 30.094 7.030 19 HA2 GLY 41 HA2 GLY 41 48.798 30.770 6.071 20 HA3 GLY 41 HA3 GLY 41 49.095 29.724 7.454 21 H GLU 42 H GLU 42 50.407 31.734 9.070 22 HA GLU 42 HA GLU 42 48.180 32.808 10.408 23 HB2 GLU 42 HB2 GLU 42 51.095 33.609 10.537 24 HB3 GLU 42 HB3 GLU 42 49.857 34.127 11.683 25 HG2 GLU 42 HG2 GLU 42 49.380 31.741 12.202 26 HG3 GLU 42 HG3 GLU 42 50.683 31.266 11.120 27 H ASN 43 H ASN 43 50.278 34.184 7.927 28 HA ASN 43 HA ASN 43 49.665 36.887 8.187 29 HB2 ASN 43 HB2 ASN 43 51.366 35.825 6.638 30 HB3 ASN 43 HB3 ASN 43 50.027 35.468 5.547 31 HD21 ASN 43 HD21 ASN 43 50.989 36.975 3.946 32 HD22 ASN 43 HD22 ASN 43 50.833 38.652 4.158 33 H TYR 44 H TYR 44 47.844 34.311 6.587 34 HA TYR 44 HA TYR 44 45.670 36.252 6.032 35 HB2 TYR 44 HB2 TYR 44 46.670 35.180 4.034 36 HB3 TYR 44 HB3 TYR 44 46.241 33.609 4.686 37 HD1 TYR 44 HD1 TYR 44 44.920 36.773 3.293 38 HD2 TYR 44 HD2 TYR 44 43.982 32.780 4.566 39 HE1 TYR 44 HE1 TYR 44 42.688 36.959 2.230 40 HE2 TYR 44 HE2 TYR 44 41.749 32.965 3.503 41 HH TYR 44 HH TYR 44 40.226 35.229 2.854 42 H PHE 45 H PHE 45 43.691 35.886 6.872 43 HA PHE 45 HA PHE 45 43.169 33.297 8.193 44 HB2 PHE 45 HB2 PHE 45 42.233 34.430 10.119 45 HB3 PHE 45 HB3 PHE 45 43.905 34.905 9.897 46 HD1 PHE 45 HD2 PHE 45 44.457 37.170 9.021 47 HD2 PHE 45 HD1 PHE 45 40.428 35.999 9.940 48 HE1 PHE 45 HE2 PHE 45 43.763 39.551 9.015 49 HE2 PHE 45 HE1 PHE 45 39.734 38.380 9.934 50 HZ PHE 45 HZ PHE 45 41.402 40.155 9.471 51 H LYS 46 H LYS 46 40.888 32.887 8.574 52 HA LYS 46 HA LYS 46 39.054 34.498 6.913 53 HB2 LYS 46 HB2 LYS 46 39.815 32.500 5.629 54 HB3 LYS 46 HB3 LYS 46 39.169 31.473 6.909 55 HG2 LYS 46 HG2 LYS 46 36.926 32.489 6.556 56 HG3 LYS 46 HG3 LYS 46 37.586 33.429 5.217 57 HD2 LYS 46 HD2 LYS 46 38.273 31.279 4.122 58 HD3 LYS 46 HD3 LYS 46 37.432 30.408 5.405 59 HE2 LYS 46 HE2 LYS 46 35.774 30.526 3.768 60 HE3 LYS 46 HE3 LYS 46 35.409 31.951 4.741 61 HZ1 LYS 46 HZ1 LYS 46 36.324 33.359 3.182 62 HZ2 LYS 46 HZ2 LYS 46 35.593 32.183 2.199 63 HZ3 LYS 46 HZ3 LYS 46 37.270 32.146 2.466 64 H LEU 47 H LEU 47 37.289 35.052 8.016 65 HA LEU 47 HA LEU 47 36.846 34.303 10.691 66 HB2 LEU 47 HB2 LEU 47 35.996 36.390 9.625 67 HB3 LEU 47 HB3 LEU 47 34.819 35.420 8.740 68 HG LEU 47 HG LEU 47 34.012 34.545 10.983 69 HD11 LEU 47 HD11 LEU 47 35.828 35.019 12.437 70 HD12 LEU 47 HD12 LEU 47 34.582 36.181 12.891 71 HD13 LEU 47 HD13 LEU 47 35.937 36.691 11.886 72 HD21 LEU 47 HD21 LEU 47 32.774 36.278 9.774 73 HD22 LEU 47 HD22 LEU 47 33.834 37.525 10.432 74 HD23 LEU 47 HD23 LEU 47 32.751 36.633 11.501 75 H GLY 48 H GLY 48 35.448 33.099 7.667 76 HA2 GLY 48 HA2 GLY 48 33.569 31.360 8.989 77 HA3 GLY 48 HA3 GLY 48 33.935 31.389 7.267 78 H SER 49 H SER 49 33.630 29.091 9.074 79 HA SER 49 HA SER 49 36.289 27.851 8.645 80 HB2 SER 49 HB2 SER 49 35.802 28.196 11.061 81 HB3 SER 49 HB3 SER 49 34.338 27.236 10.876 82 HG SER 49 HG SER 49 35.556 25.526 10.797 83 H ASP 50 H ASP 50 36.291 26.058 7.439 84 HA ASP 50 HA ASP 50 33.985 25.186 6.064 85 HB2 ASP 50 HB2 ASP 50 36.650 23.814 6.481 86 HB3 ASP 50 HB3 ASP 50 35.420 23.286 5.335 87 H SER 51 H SER 51 35.644 23.937 8.932 88 HA SER 51 HA SER 51 34.266 21.504 9.176 89 HB2 SER 51 HB2 SER 51 36.297 22.155 10.480 90 HB3 SER 51 HB3 SER 51 35.291 23.246 11.427 91 HG SER 51 HG SER 51 35.454 20.539 11.479 92 H LYS 52 H LYS 52 33.447 24.758 10.313 93 HA LYS 52 HA LYS 52 31.257 24.083 11.937 94 HB2 LYS 52 HB2 LYS 52 32.340 26.327 11.844 95 HB3 LYS 52 HB3 LYS 52 31.592 26.586 10.267 96 HG2 LYS 52 HG2 LYS 52 29.354 26.243 11.303 97 HG3 LYS 52 HG3 LYS 52 30.133 26.090 12.879 98 HD2 LYS 52 HD2 LYS 52 31.123 28.370 12.548 99 HD3 LYS 52 HD3 LYS 52 30.174 28.521 11.069 100 HE2 LYS 52 HE2 LYS 52 28.855 29.572 12.738 101 HE3 LYS 52 HE3 LYS 52 28.126 27.981 12.527 102 HZ1 LYS 52 HZ1 LYS 52 30.007 28.814 14.665 103 HZ2 LYS 52 HZ2 LYS 52 29.505 27.211 14.413 104 HZ3 LYS 52 HZ3 LYS 52 28.372 28.401 14.846 105 H LEU 53 H LEU 53 31.447 24.794 8.467 106 HA LEU 53 HA LEU 53 28.682 24.723 7.923 107 HB2 LEU 53 HB2 LEU 53 30.440 25.591 6.374 108 HB3 LEU 53 HB3 LEU 53 30.936 23.927 6.068 109 HG LEU 53 HG LEU 53 28.512 23.468 5.404 110 HD11 LEU 53 HD11 LEU 53 27.313 25.572 4.625 111 HD12 LEU 53 HD12 LEU 53 28.489 26.490 5.566 112 HD13 LEU 53 HD13 LEU 53 27.402 25.360 6.373 113 HD21 LEU 53 HD21 LEU 53 30.076 23.583 3.632 114 HD22 LEU 53 HD22 LEU 53 30.353 25.308 3.875 115 HD23 LEU 53 HD23 LEU 53 28.834 24.748 3.173 116 H LEU 54 H LEU 54 31.125 22.168 8.047 117 HA LEU 54 HA LEU 54 29.630 20.100 6.884 118 HB2 LEU 54 HB2 LEU 54 32.073 20.014 7.368 119 HB3 LEU 54 HB3 LEU 54 31.693 19.845 9.082 120 HG LEU 54 HG LEU 54 30.300 17.814 8.466 121 HD11 LEU 54 HD11 LEU 54 29.905 18.105 6.145 122 HD12 LEU 54 HD12 LEU 54 31.074 16.788 6.230 123 HD13 LEU 54 HD13 LEU 54 31.609 18.416 5.810 124 HD21 LEU 54 HD21 LEU 54 32.435 16.424 7.929 125 HD22 LEU 54 HD22 LEU 54 32.390 17.328 9.443 126 HD23 LEU 54 HD23 LEU 54 33.285 17.963 8.062 127 H THR 55 H THR 55 29.722 21.297 10.214 128 HA THR 55 HA THR 55 28.125 19.126 11.238 129 HB THR 55 HB THR 55 28.748 21.796 12.520 130 HG1 THR 55 HG1 THR 55 30.642 20.985 12.689 131 HG21 THR 55 HG21 THR 55 28.485 20.286 14.598 132 HG22 THR 55 HG22 THR 55 27.685 19.153 13.510 133 HG23 THR 55 HG23 THR 55 27.014 20.765 13.751 134 H HIS 56 H HIS 56 25.985 18.966 11.248 135 HA HIS 56 HA HIS 56 24.292 20.856 9.996 136 HB2 HIS 56 HB2 HIS 56 23.800 18.442 10.158 137 HB3 HIS 56 HB3 HIS 56 23.572 18.615 11.888 138 HD1 HIS 56 HD1 HIS 56 22.134 20.186 8.713 139 HD2 HIS 56 HD2 HIS 56 20.920 18.979 12.514 140 HE1 HIS 56 HE1 HIS 56 19.637 20.584 8.826 141 H ASN 57 H ASN 57 25.053 20.196 13.381 142 HA ASN 57 HA ASN 57 23.043 21.650 14.633 143 HB2 ASN 57 HB2 ASN 57 25.917 21.247 15.479 144 HB3 ASN 57 HB3 ASN 57 24.641 21.860 16.528 145 HD21 ASN 57 HD21 ASN 57 26.088 19.363 16.982 146 HD22 ASN 57 HD22 ASN 57 24.953 18.104 16.880 147 H SER 58 H SER 58 26.016 22.811 13.130 148 HA SER 58 HA SER 58 26.171 25.344 14.297 149 HB2 SER 58 HB2 SER 58 27.521 25.973 12.388 150 HB3 SER 58 HB3 SER 58 27.904 24.313 12.830 151 HG SER 58 HG SER 58 27.238 25.046 10.533 152 H TYR 59 H TYR 59 24.180 24.206 11.604 153 HA TYR 59 HA TYR 59 23.269 26.746 10.741 154 HB2 TYR 59 HB2 TYR 59 21.948 24.039 10.559 155 HB3 TYR 59 HB3 TYR 59 21.415 25.474 9.704 156 HD1 TYR 59 HD2 TYR 59 22.870 26.475 7.927 157 HD2 TYR 59 HD1 TYR 59 23.794 22.728 9.809 158 HE1 TYR 59 HE2 TYR 59 24.434 25.932 6.079 159 HE2 TYR 59 HE1 TYR 59 25.357 22.183 7.963 160 HH TYR 59 HH TYR 59 26.673 23.548 6.234 161 H GLN 60 H GLN 60 22.153 24.543 13.264 162 HA GLN 60 HA GLN 60 19.826 26.255 13.789 163 HB2 GLN 60 HB2 GLN 60 19.537 23.783 13.671 164 HB3 GLN 60 HB3 GLN 60 20.605 23.624 15.065 165 HG2 GLN 60 HG2 GLN 60 19.074 24.983 16.419 166 HG3 GLN 60 HG3 GLN 60 18.018 25.203 15.028 167 HE21 GLN 60 HE21 GLN 60 16.837 24.074 17.235 168 HE22 GLN 60 HE22 GLN 60 16.589 22.411 17.006 169 H ASN 61 H ASN 61 19.880 27.761 15.315 170 HA ASN 61 HA ASN 61 21.647 27.391 17.646 171 HB2 ASN 61 HB2 ASN 61 22.360 29.710 17.541 172 HB3 ASN 61 HB3 ASN 61 22.771 28.892 16.037 173 HD21 ASN 61 HD21 ASN 61 22.495 31.741 16.165 174 HD22 ASN 61 HD22 ASN 61 21.137 32.186 15.248 175 H ARG 62 H ARG 62 18.775 26.984 17.370 176 HA ARG 62 HA ARG 62 17.813 29.078 19.235 177 HB2 ARG 62 HB2 ARG 62 16.281 27.698 17.018 178 HB3 ARG 62 HB3 ARG 62 15.559 28.758 18.230 179 HG2 ARG 62 HG2 ARG 62 17.105 30.580 17.494 180 HG3 ARG 62 HG3 ARG 62 17.687 29.521 16.209 181 HD2 ARG 62 HD2 ARG 62 14.833 30.471 16.581 182 HD3 ARG 62 HD3 ARG 62 15.955 31.017 15.339 183 HE ARG 62 HE ARG 62 15.673 28.191 15.235 184 HH11 ARG 62 HH11 ARG 62 13.916 31.119 14.422 185 HH12 ARG 62 HH12 ARG 62 13.012 30.346 13.164 186 HH21 ARG 62 HH21 ARG 62 14.481 27.251 13.603 187 HH22 ARG 62 HH22 ARG 62 13.329 28.183 12.706 188 H LEU 63 H LEU 63 16.484 28.397 20.915 189 HA LEU 63 HA LEU 63 16.489 25.482 21.410 190 HB2 LEU 63 HB2 LEU 63 17.650 26.942 23.072 191 HB3 LEU 63 HB3 LEU 63 16.109 27.740 23.391 192 HG LEU 63 HG LEU 63 15.159 25.439 23.915 193 HD11 LEU 63 HD11 LEU 63 18.069 24.798 23.525 194 HD12 LEU 63 HD12 LEU 63 16.652 23.895 22.992 195 HD13 LEU 63 HD13 LEU 63 17.122 23.874 24.691 196 HD21 LEU 63 HD21 LEU 63 17.401 26.617 25.581 197 HD22 LEU 63 HD22 LEU 63 16.316 25.357 26.171 198 HD23 LEU 63 HD23 LEU 63 15.674 26.940 25.731 199 H PHE 64 H PHE 64 14.608 24.410 21.421 200 HA PHE 64 HA PHE 64 12.121 25.952 21.197 201 HB2 PHE 64 HB2 PHE 64 12.735 23.037 20.726 202 HB3 PHE 64 HB3 PHE 64 11.135 23.738 20.589 203 HD1 PHE 64 HD1 PHE 64 10.650 25.401 18.794 204 HD2 PHE 64 HD2 PHE 64 14.394 23.309 19.019 205 HE1 PHE 64 HE1 PHE 64 11.136 26.022 16.443 206 HE2 PHE 64 HE2 PHE 64 14.880 23.929 16.667 207 HZ PHE 64 HZ PHE 64 13.253 25.285 15.380 208 H TYR 65 H TYR 65 10.680 26.093 22.802 209 HA TYR 65 HA TYR 65 10.815 24.124 25.016 210 HB2 TYR 65 HB2 TYR 65 11.513 26.486 25.596 211 HB3 TYR 65 HB3 TYR 65 9.875 26.985 25.221 212 HD1 TYR 65 HD2 TYR 65 11.983 24.989 27.508 213 HD2 TYR 65 HD1 TYR 65 8.056 26.557 26.753 214 HE1 TYR 65 HE2 TYR 65 11.306 24.404 29.820 215 HE2 TYR 65 HE1 TYR 65 7.378 25.972 29.066 216 HH TYR 65 HH TYR 65 8.087 25.116 31.017 217 H THR 66 H THR 66 8.838 23.312 25.762 218 HA THR 66 HA THR 66 6.570 23.786 23.913 219 HB THR 66 HB THR 66 7.151 21.347 25.611 220 HG1 THR 66 HG1 THR 66 8.272 20.727 23.982 221 HG21 THR 66 HG21 THR 66 4.874 21.225 25.203 222 HG22 THR 66 HG22 THR 66 5.495 20.453 23.745 223 HG23 THR 66 HG23 THR 66 4.986 22.140 23.699 224 H LEU 67 H LEU 67 4.567 24.209 24.689 225 HA LEU 67 HA LEU 67 4.335 25.050 27.461 226 HB2 LEU 67 HB2 LEU 67 2.451 25.161 25.097 227 HB3 LEU 67 HB3 LEU 67 2.041 25.772 26.698 228 HG LEU 67 HG LEU 67 4.483 26.672 25.148 229 HD11 LEU 67 HD11 LEU 67 2.972 28.816 24.983 230 HD12 LEU 67 HD12 LEU 67 1.647 27.669 25.183 231 HD13 LEU 67 HD13 LEU 67 2.753 27.511 23.818 232 HD21 LEU 67 HD21 LEU 67 3.138 27.441 27.726 233 HD22 LEU 67 HD22 LEU 67 4.043 28.656 26.824 234 HD23 LEU 67 HD23 LEU 67 4.854 27.198 27.398 235 H LYS 68 H LYS 68 3.449 23.890 29.041 236 HA LYS 68 HA LYS 68 1.759 21.558 28.342 237 HB2 LYS 68 HB2 LYS 68 3.721 21.795 30.637 238 HB3 LYS 68 HB3 LYS 68 2.689 20.405 30.295 239 HG2 LYS 68 HG2 LYS 68 3.787 20.278 28.015 240 HG3 LYS 68 HG3 LYS 68 4.943 21.482 28.584 241 HD2 LYS 68 HD2 LYS 68 4.430 18.818 29.938 242 HD3 LYS 68 HD3 LYS 68 5.782 19.147 28.854 243 HE2 LYS 68 HE2 LYS 68 6.535 20.962 30.370 244 HE3 LYS 68 HE3 LYS 68 5.212 20.572 31.469 245 HZ1 LYS 68 HZ1 LYS 68 6.110 18.410 31.822 246 HZ2 LYS 68 HZ2 LYS 68 7.364 19.530 32.062 247 HZ3 LYS 68 HZ3 LYS 68 7.291 18.631 30.623 248 H THR 69 H THR 69 0.038 21.093 29.766 249 HA THR 69 HA THR 69 -1.400 23.284 30.701 250 HB THR 69 HB THR 69 -2.456 21.137 30.217 251 HG1 THR 69 HG1 THR 69 -2.725 21.773 32.911 252 HG21 THR 69 HG21 THR 69 -1.084 20.150 32.733 253 HG22 THR 69 HG22 THR 69 -0.595 19.724 31.092 254 HG23 THR 69 HG23 THR 69 -2.173 19.224 31.700 255 H GLY 70 H GLY 70 -1.517 24.390 32.564 256 HA2 GLY 70 HA2 GLY 70 -1.344 24.534 34.970 257 HA3 GLY 70 HA3 GLY 70 0.011 23.417 34.899 258 H GLU 71 H GLU 71 1.135 24.949 32.518 259 HA GLU 71 HA GLU 71 2.326 27.152 34.091 260 HB2 GLU 71 HB2 GLU 71 3.851 25.329 33.293 261 HB3 GLU 71 HB3 GLU 71 3.450 25.788 31.637 262 HG2 GLU 71 HG2 GLU 71 4.226 28.104 32.128 263 HG3 GLU 71 HG3 GLU 71 4.714 27.575 33.731 264 H THR 72 H THR 72 2.414 29.201 33.262 265 HA THR 72 HA THR 72 0.979 29.676 30.710 266 HB THR 72 HB THR 72 0.369 31.861 31.585 267 HG1 THR 72 HG1 THR 72 1.463 31.188 34.022 268 HG21 THR 72 HG21 THR 72 -1.090 29.939 32.129 269 HG22 THR 72 HG22 THR 72 -1.123 31.157 33.404 270 HG23 THR 72 HG23 THR 72 -0.182 29.682 33.619 271 H VAL 73 H VAL 73 1.716 31.627 29.521 272 HA VAL 73 HA VAL 73 4.438 31.435 28.889 273 HB VAL 73 HB VAL 73 2.563 33.761 28.381 274 HG11 VAL 73 HG11 VAL 73 4.691 34.576 27.831 275 HG12 VAL 73 HG12 VAL 73 4.150 33.885 26.302 276 HG13 VAL 73 HG13 VAL 73 5.274 32.991 27.324 277 HG21 VAL 73 HG21 VAL 73 1.589 31.748 27.489 278 HG22 VAL 73 HG22 VAL 73 3.143 31.210 26.853 279 HG23 VAL 73 HG23 VAL 73 2.331 32.602 26.136 280 H ALA 74 H ALA 74 2.717 33.743 30.974 281 HA ALA 74 HA ALA 74 4.890 35.462 31.465 282 HB1 ALA 74 HB1 ALA 74 2.914 34.986 33.643 283 HB2 ALA 74 HB2 ALA 74 2.303 35.585 32.101 284 HB3 ALA 74 HB3 ALA 74 3.525 36.503 32.981 285 H ASP 75 H ASP 75 3.835 32.500 33.126 286 HA ASP 75 HA ASP 75 5.584 32.691 35.329 287 HB2 ASP 75 HB2 ASP 75 4.392 30.274 33.958 288 HB3 ASP 75 HB3 ASP 75 5.287 30.199 35.470 289 H LEU 76 H LEU 76 5.975 31.130 32.160 290 HA LEU 76 HA LEU 76 8.502 29.991 32.611 291 HB2 LEU 76 HB2 LEU 76 7.048 29.492 30.654 292 HB3 LEU 76 HB3 LEU 76 7.420 31.087 30.003 293 HG LEU 76 HG LEU 76 9.878 30.438 30.128 294 HD11 LEU 76 HD11 LEU 76 8.594 27.749 30.674 295 HD12 LEU 76 HD12 LEU 76 9.766 28.596 31.684 296 HD13 LEU 76 HD13 LEU 76 10.258 27.939 30.123 297 HD21 LEU 76 HD21 LEU 76 8.673 30.428 28.004 298 HD22 LEU 76 HD22 LEU 76 8.002 28.837 28.362 299 HD23 LEU 76 HD23 LEU 76 9.732 29.019 28.074 300 H SER 77 H SER 77 7.587 33.191 31.394 301 HA SER 77 HA SER 77 10.160 34.121 30.760 302 HB2 SER 77 HB2 SER 77 7.995 35.219 30.125 303 HB3 SER 77 HB3 SER 77 7.848 35.775 31.789 304 HG SER 77 HG SER 77 9.139 37.293 31.184 305 H LYS 78 H LYS 78 8.350 34.228 33.802 306 HA LYS 78 HA LYS 78 10.134 35.876 35.228 307 HB2 LYS 78 HB2 LYS 78 7.821 35.300 35.957 308 HB3 LYS 78 HB3 LYS 78 8.384 33.674 36.342 309 HG2 LYS 78 HG2 LYS 78 10.056 34.650 37.904 310 HG3 LYS 78 HG3 LYS 78 9.401 36.253 37.569 311 HD2 LYS 78 HD2 LYS 78 7.160 35.438 38.342 312 HD3 LYS 78 HD3 LYS 78 7.924 33.920 38.820 313 HE2 LYS 78 HE2 LYS 78 7.898 35.221 40.803 314 HE3 LYS 78 HE3 LYS 78 9.547 35.372 40.194 315 HZ1 LYS 78 HZ1 LYS 78 9.088 37.551 40.490 316 HZ2 LYS 78 HZ2 LYS 78 7.412 37.354 40.296 317 HZ3 LYS 78 HZ3 LYS 78 8.428 37.396 38.935 318 H SER 79 H SER 79 9.935 32.335 34.975 319 HA SER 79 HA SER 79 12.019 31.729 36.763 320 HB2 SER 79 HB2 SER 79 10.373 30.083 35.837 321 HB3 SER 79 HB3 SER 79 11.232 30.156 34.301 322 HG SER 79 HG SER 79 13.042 29.427 35.429 323 H GLN 80 H GLN 80 12.052 32.297 33.268 324 HA GLN 80 HA GLN 80 14.875 31.896 32.995 325 HB2 GLN 80 HB2 GLN 80 12.844 33.175 31.162 326 HB3 GLN 80 HB3 GLN 80 14.518 32.840 30.720 327 HG2 GLN 80 HG2 GLN 80 14.187 30.455 31.130 328 HG3 GLN 80 HG3 GLN 80 12.537 30.754 31.670 329 HE21 GLN 80 HE21 GLN 80 13.098 29.016 29.463 330 HE22 GLN 80 HE22 GLN 80 12.490 29.735 28.051 331 H ASP 81 H ASP 81 13.046 34.566 34.140 332 HA ASP 81 HA ASP 81 13.612 36.714 34.694 333 HB2 ASP 81 HB2 ASP 81 15.617 35.511 35.663 334 HB3 ASP 81 HB3 ASP 81 16.479 35.906 34.177 335 H ILE 82 H ILE 82 12.798 36.229 32.095 336 HA ILE 82 HA ILE 82 14.429 38.133 30.515 337 HB ILE 82 HB ILE 82 12.482 36.037 29.511 338 HG12 ILE 82 HG12 ILE 82 15.512 36.095 29.346 339 HG13 ILE 82 HG13 ILE 82 14.606 35.122 30.506 340 HG21 ILE 82 HG21 ILE 82 13.383 36.622 27.304 341 HG22 ILE 82 HG22 ILE 82 14.446 37.822 28.039 342 HG23 ILE 82 HG23 ILE 82 12.698 38.054 28.074 343 HD11 ILE 82 HD11 ILE 82 15.090 33.680 28.654 344 HD12 ILE 82 HD12 ILE 82 14.575 34.898 27.488 345 HD13 ILE 82 HD13 ILE 82 13.383 34.105 28.519 346 H ASN 83 H ASN 83 13.402 39.885 29.575 347 HA ASN 83 HA ASN 83 11.049 40.829 30.886 348 HB2 ASN 83 HB2 ASN 83 12.521 41.879 28.459 349 HB3 ASN 83 HB3 ASN 83 11.235 42.737 29.304 350 HD21 ASN 83 HD21 ASN 83 13.989 43.693 29.079 351 HD22 ASN 83 HD22 ASN 83 14.621 43.759 30.653 352 H LEU 84 H LEU 84 8.957 40.772 30.274 353 HA LEU 84 HA LEU 84 8.038 38.915 28.392 354 HB2 LEU 84 HB2 LEU 84 6.606 41.356 29.472 355 HB3 LEU 84 HB3 LEU 84 5.835 39.993 28.662 356 HG LEU 84 HG LEU 84 7.468 39.776 31.209 357 HD11 LEU 84 HD11 LEU 84 4.529 40.111 30.672 358 HD12 LEU 84 HD12 LEU 84 5.523 40.871 31.913 359 HD13 LEU 84 HD13 LEU 84 5.058 39.177 32.071 360 HD21 LEU 84 HD21 LEU 84 7.517 37.694 30.018 361 HD22 LEU 84 HD22 LEU 84 5.812 37.824 29.591 362 HD23 LEU 84 HD23 LEU 84 6.282 37.516 31.263 363 H SER 85 H SER 85 8.687 42.380 28.057 364 HA SER 85 HA SER 85 7.462 42.780 25.558 365 HB2 SER 85 HB2 SER 85 8.342 44.587 27.057 366 HB3 SER 85 HB3 SER 85 9.972 44.125 26.579 367 HG SER 85 HG SER 85 9.186 44.502 24.415 368 H THR 86 H THR 86 10.749 41.729 26.403 369 HA THR 86 HA THR 86 11.789 41.697 23.780 370 HB THR 86 HB THR 86 12.580 39.909 26.091 371 HG1 THR 86 HG1 THR 86 13.754 41.584 26.729 372 HG21 THR 86 HG21 THR 86 14.033 40.875 23.613 373 HG22 THR 86 HG22 THR 86 13.571 39.214 23.985 374 HG23 THR 86 HG23 THR 86 14.806 40.023 24.949 375 H ILE 87 H ILE 87 10.213 39.161 25.709 376 HA ILE 87 HA ILE 87 10.592 37.031 23.924 377 HB ILE 87 HB ILE 87 8.256 37.493 25.803 378 HG12 ILE 87 HG12 ILE 87 10.851 35.988 26.258 379 HG13 ILE 87 HG13 ILE 87 10.540 37.618 26.854 380 HG21 ILE 87 HG21 ILE 87 7.876 35.688 24.147 381 HG22 ILE 87 HG22 ILE 87 8.074 35.034 25.773 382 HG23 ILE 87 HG23 ILE 87 9.405 34.943 24.618 383 HD11 ILE 87 HD11 ILE 87 8.597 36.790 28.126 384 HD12 ILE 87 HD12 ILE 87 10.068 35.940 28.599 385 HD13 ILE 87 HD13 ILE 87 8.901 35.158 27.532 386 H TRP 88 H TRP 88 7.932 39.368 24.186 387 HA TRP 88 HA TRP 88 6.317 38.336 22.141 388 HB2 TRP 88 HB2 TRP 88 5.584 40.058 23.739 389 HB3 TRP 88 HB3 TRP 88 6.655 41.217 22.975 390 HD1 TRP 88 HD1 TRP 88 3.451 39.218 22.342 391 HE1 TRP 88 HE1 TRP 88 2.118 40.376 20.466 392 HE3 TRP 88 HE3 TRP 88 6.817 42.796 20.951 393 HZ2 TRP 88 HZ2 TRP 88 2.438 42.539 18.614 394 HZ3 TRP 88 HZ3 TRP 88 6.281 44.388 19.133 395 HH2 TRP 88 HH2 TRP 88 4.100 44.266 17.962 396 H SER 89 H SER 89 8.893 40.805 21.968 397 HA SER 89 HA SER 89 8.537 41.573 19.326 398 HB2 SER 89 HB2 SER 89 10.809 42.390 19.393 399 HB3 SER 89 HB3 SER 89 10.077 42.649 20.973 400 HG SER 89 HG SER 89 12.190 41.627 20.921 401 H LEU 90 H LEU 90 10.401 38.830 20.604 402 HA LEU 90 HA LEU 90 11.417 38.021 18.061 403 HB2 LEU 90 HB2 LEU 90 11.051 36.416 20.601 404 HB3 LEU 90 HB3 LEU 90 12.041 35.945 19.220 405 HG LEU 90 HG LEU 90 12.453 38.484 20.824 406 HD11 LEU 90 HD11 LEU 90 12.897 36.142 21.925 407 HD12 LEU 90 HD12 LEU 90 14.130 37.398 22.040 408 HD13 LEU 90 HD13 LEU 90 14.294 36.106 20.850 409 HD21 LEU 90 HD21 LEU 90 13.976 37.114 18.593 410 HD22 LEU 90 HD22 LEU 90 14.699 38.356 19.616 411 HD23 LEU 90 HD23 LEU 90 13.311 38.748 18.600 412 H ASN 91 H ASN 91 8.761 36.737 20.083 413 HA ASN 91 HA ASN 91 8.017 34.880 17.978 414 HB2 ASN 91 HB2 ASN 91 6.882 35.362 20.732 415 HB3 ASN 91 HB3 ASN 91 6.324 34.106 19.626 416 HD21 ASN 91 HD21 ASN 91 9.455 35.289 21.004 417 HD22 ASN 91 HD22 ASN 91 10.111 33.733 21.189 418 H LYS 92 H LYS 92 7.359 38.066 18.202 419 HA LYS 92 HA LYS 92 4.649 38.409 18.003 420 HB2 LYS 92 HB2 LYS 92 5.099 40.407 16.728 421 HB3 LYS 92 HB3 LYS 92 6.348 40.216 17.954 422 HG2 LYS 92 HG2 LYS 92 7.825 39.178 16.220 423 HG3 LYS 92 HG3 LYS 92 6.590 39.529 15.010 424 HD2 LYS 92 HD2 LYS 92 6.730 41.962 15.761 425 HD3 LYS 92 HD3 LYS 92 8.176 41.505 16.661 426 HE2 LYS 92 HE2 LYS 92 8.840 42.358 14.478 427 HE3 LYS 92 HE3 LYS 92 9.167 40.627 14.544 428 HZ1 LYS 92 HZ1 LYS 92 7.431 40.149 13.152 429 HZ2 LYS 92 HZ2 LYS 92 7.928 41.645 12.519 430 HZ3 LYS 92 HZ3 LYS 92 6.570 41.557 13.538 431 H HIS 93 H HIS 93 6.748 36.916 15.615 432 HA HIS 93 HA HIS 93 4.842 37.046 13.483 433 HB2 HIS 93 HB2 HIS 93 6.331 35.663 12.258 434 HB3 HIS 93 HB3 HIS 93 7.298 36.804 13.165 435 HD1 HIS 93 HD1 HIS 93 8.681 35.809 15.218 436 HD2 HIS 93 HD2 HIS 93 6.779 32.968 12.826 437 HE1 HIS 93 HE1 HIS 93 9.750 33.587 15.760 438 H LEU 94 H LEU 94 5.583 34.684 16.003 439 HA LEU 94 HA LEU 94 3.980 32.589 14.909 440 HB2 LEU 94 HB2 LEU 94 4.855 33.046 17.770 441 HB3 LEU 94 HB3 LEU 94 4.218 31.539 17.113 442 HG LEU 94 HG LEU 94 6.724 32.924 16.124 443 HD11 LEU 94 HD11 LEU 94 6.853 31.958 18.459 444 HD12 LEU 94 HD12 LEU 94 7.965 31.226 17.303 445 HD13 LEU 94 HD13 LEU 94 6.484 30.383 17.755 446 HD21 LEU 94 HD21 LEU 94 5.383 30.288 15.469 447 HD22 LEU 94 HD22 LEU 94 7.059 30.639 15.046 448 HD23 LEU 94 HD23 LEU 94 5.755 31.609 14.361 449 H TYR 95 H TYR 95 3.380 35.095 17.353 450 HA TYR 95 HA TYR 95 0.512 34.338 17.336 451 HB2 TYR 95 HB2 TYR 95 2.113 35.648 19.536 452 HB3 TYR 95 HB3 TYR 95 0.402 35.263 19.601 453 HD1 TYR 95 HD2 TYR 95 -0.319 32.841 19.541 454 HD2 TYR 95 HD1 TYR 95 3.782 34.027 20.015 455 HE1 TYR 95 HE2 TYR 95 0.235 30.583 20.400 456 HE2 TYR 95 HE1 TYR 95 4.337 31.767 20.874 457 HH TYR 95 HH TYR 95 3.427 29.526 20.841 458 H SER 96 H SER 96 -1.033 35.985 17.341 459 HA SER 96 HA SER 96 -0.317 38.212 15.697 460 HB2 SER 96 HB2 SER 96 -2.924 37.653 17.124 461 HB3 SER 96 HB3 SER 96 -2.679 38.784 15.797 462 HG SER 96 HG SER 96 -3.379 36.818 15.015 463 H SER 97 H SER 97 -1.194 37.851 19.121 464 HA SER 97 HA SER 97 -0.125 40.510 19.661 465 HB2 SER 97 HB2 SER 97 -2.133 41.369 20.672 466 HB3 SER 97 HB3 SER 97 -2.529 40.841 19.039 467 HG SER 97 HG SER 97 -3.344 38.973 19.964 468 H GLU 98 H GLU 98 -0.284 41.010 22.052 469 HA GLU 98 HA GLU 98 0.978 38.985 23.536 470 HB2 GLU 98 HB2 GLU 98 -0.422 41.499 24.467 471 HB3 GLU 98 HB3 GLU 98 0.612 40.493 25.481 472 HG2 GLU 98 HG2 GLU 98 2.478 40.840 23.879 473 HG3 GLU 98 HG3 GLU 98 1.447 41.904 22.932 474 H SER 99 H SER 99 -2.425 39.914 23.307 475 HA SER 99 HA SER 99 -3.400 38.677 25.615 476 HB2 SER 99 HB2 SER 99 -4.712 40.169 24.082 477 HB3 SER 99 HB3 SER 99 -4.814 38.829 22.945 478 HG SER 99 HG SER 99 -6.539 39.094 24.559 479 H GLU 100 H GLU 100 -2.931 37.330 22.356 480 HA GLU 100 HA GLU 100 -3.954 34.766 22.903 481 HB2 GLU 100 HB2 GLU 100 -1.881 35.671 20.897 482 HB3 GLU 100 HB3 GLU 100 -2.601 34.059 20.921 483 HG2 GLU 100 HG2 GLU 100 -4.855 35.087 20.734 484 HG3 GLU 100 HG3 GLU 100 -4.105 36.673 20.631 485 H MET 101 H MET 101 -0.755 36.159 23.462 486 HA MET 101 HA MET 101 0.610 33.732 23.992 487 HB2 MET 101 HB2 MET 101 1.117 36.540 25.007 488 HB3 MET 101 HB3 MET 101 2.242 35.192 25.172 489 HG2 MET 101 HG2 MET 101 2.208 34.937 22.674 490 HG3 MET 101 HG3 MET 101 1.238 36.407 22.585 491 HE1 MET 101 HE1 MET 101 4.366 34.651 23.402 492 HE2 MET 101 HE2 MET 101 4.432 35.475 24.957 493 HE3 MET 101 HE3 MET 101 5.614 35.865 23.711 494 H MET 102 H MET 102 -0.952 36.086 26.172 495 HA MET 102 HA MET 102 -0.358 34.744 28.572 496 HB2 MET 102 HB2 MET 102 -2.637 36.605 27.884 497 HB3 MET 102 HB3 MET 102 -2.254 36.069 29.521 498 HG2 MET 102 HG2 MET 102 0.076 36.969 29.188 499 HG3 MET 102 HG3 MET 102 -0.471 37.663 27.662 500 HE1 MET 102 HE1 MET 102 -3.229 40.123 28.662 501 HE2 MET 102 HE2 MET 102 -3.553 38.403 28.465 502 HE3 MET 102 HE3 MET 102 -2.412 39.207 27.390 503 H LYS 103 H LYS 103 -3.045 34.369 26.317 504 HA LYS 103 HA LYS 103 -4.379 32.458 28.072 505 HB2 LYS 103 HB2 LYS 103 -5.103 33.540 25.345 506 HB3 LYS 103 HB3 LYS 103 -6.099 32.423 26.280 507 HG2 LYS 103 HG2 LYS 103 -6.309 34.035 28.084 508 HG3 LYS 103 HG3 LYS 103 -5.183 35.132 27.286 509 HD2 LYS 103 HD2 LYS 103 -7.417 35.923 26.828 510 HD3 LYS 103 HD3 LYS 103 -6.777 35.231 25.338 511 HE2 LYS 103 HE2 LYS 103 -8.312 33.445 27.191 512 HE3 LYS 103 HE3 LYS 103 -9.204 34.588 26.188 513 HZ1 LYS 103 HZ1 LYS 103 -7.189 33.287 24.677 514 HZ2 LYS 103 HZ2 LYS 103 -8.868 33.333 24.415 515 HZ3 LYS 103 HZ3 LYS 103 -8.195 32.140 25.421 516 H ALA 104 H ALA 104 -1.718 31.957 26.413 517 HA ALA 104 HA ALA 104 -2.176 30.045 24.456 518 HB1 ALA 104 HB1 ALA 104 0.102 29.134 25.207 519 HB2 ALA 104 HB2 ALA 104 0.078 30.414 26.421 520 HB3 ALA 104 HB3 ALA 104 0.040 30.824 24.706 521 H ALA 105 H ALA 105 -2.276 27.809 24.441 522 HA ALA 105 HA ALA 105 -3.034 26.531 27.006 523 HB1 ALA 105 HB1 ALA 105 -4.841 26.956 25.156 524 HB2 ALA 105 HB2 ALA 105 -4.776 25.393 25.969 525 HB3 ALA 105 HB3 ALA 105 -4.078 25.579 24.361 526 HA PRO 106 HA PRO 106 -0.057 23.377 26.373 527 HB2 PRO 106 HB2 PRO 106 -2.056 21.186 26.247 528 HB3 PRO 106 HB3 PRO 106 -0.730 21.444 27.396 529 HG2 PRO 106 HG2 PRO 106 -3.278 21.809 28.084 530 HG3 PRO 106 HG3 PRO 106 -1.973 22.817 28.737 531 HD2 PRO 106 HD2 PRO 106 -3.979 23.487 26.616 532 HD3 PRO 106 HD3 PRO 106 -3.282 24.526 27.880 533 H GLY 107 H GLY 107 1.028 22.310 24.743 534 HA2 GLY 107 HA2 GLY 107 1.104 20.927 22.787 535 HA3 GLY 107 HA3 GLY 107 -0.476 21.538 22.329 536 H GLN 108 H GLN 108 0.782 24.348 23.136 537 HA GLN 108 HA GLN 108 1.651 24.906 20.410 538 HB2 GLN 108 HB2 GLN 108 1.115 26.714 22.772 539 HB3 GLN 108 HB3 GLN 108 1.642 27.287 21.188 540 HG2 GLN 108 HG2 GLN 108 -0.334 26.199 20.155 541 HG3 GLN 108 HG3 GLN 108 -0.877 25.700 21.756 542 HE21 GLN 108 HE21 GLN 108 -0.643 28.422 19.547 543 HE22 GLN 108 HE22 GLN 108 -1.480 29.526 20.528 544 H GLN 109 H GLN 109 3.602 26.081 19.941 545 HA GLN 109 HA GLN 109 5.803 25.302 21.763 546 HB2 GLN 109 HB2 GLN 109 5.914 25.883 18.793 547 HB3 GLN 109 HB3 GLN 109 7.233 25.285 19.796 548 HG2 GLN 109 HG2 GLN 109 4.633 23.834 19.221 549 HG3 GLN 109 HG3 GLN 109 6.208 23.444 18.538 550 HE21 GLN 109 HE21 GLN 109 4.185 22.152 20.664 551 HE22 GLN 109 HE22 GLN 109 5.259 21.593 21.852 552 H ILE 110 H ILE 110 7.445 26.741 22.202 553 HA ILE 110 HA ILE 110 7.119 29.532 21.282 554 HB ILE 110 HB ILE 110 8.115 28.583 23.986 555 HG12 ILE 110 HG12 ILE 110 5.615 30.164 23.335 556 HG13 ILE 110 HG13 ILE 110 5.613 28.412 23.528 557 HG21 ILE 110 HG21 ILE 110 7.921 31.094 24.465 558 HG22 ILE 110 HG22 ILE 110 7.825 31.314 22.717 559 HG23 ILE 110 HG23 ILE 110 9.266 30.596 23.438 560 HD11 ILE 110 HD11 ILE 110 5.104 29.984 25.593 561 HD12 ILE 110 HD12 ILE 110 6.863 30.086 25.680 562 HD13 ILE 110 HD13 ILE 110 6.063 28.520 25.800 563 H ILE 111 H ILE 111 8.964 30.495 20.485 564 HA ILE 111 HA ILE 111 11.376 28.782 20.369 565 HB ILE 111 HB ILE 111 10.610 31.080 18.551 566 HG12 ILE 111 HG12 ILE 111 10.534 28.094 18.012 567 HG13 ILE 111 HG13 ILE 111 9.108 29.064 18.379 568 HG21 ILE 111 HG21 ILE 111 12.441 30.198 17.147 569 HG22 ILE 111 HG22 ILE 111 12.777 28.961 18.358 570 HG23 ILE 111 HG23 ILE 111 13.041 30.662 18.739 571 HD11 ILE 111 HD11 ILE 111 10.915 29.235 15.968 572 HD12 ILE 111 HD12 ILE 111 9.856 30.571 16.422 573 HD13 ILE 111 HD13 ILE 111 9.167 29.000 16.014 574 H LEU 112 H LEU 112 13.171 29.425 21.341 575 HA LEU 112 HA LEU 112 13.412 32.246 22.213 576 HB2 LEU 112 HB2 LEU 112 14.422 29.692 23.477 577 HB3 LEU 112 HB3 LEU 112 14.937 31.302 23.982 578 HG LEU 112 HG LEU 112 12.018 30.550 23.828 579 HD11 LEU 112 HD11 LEU 112 13.764 30.422 26.300 580 HD12 LEU 112 HD12 LEU 112 13.313 29.000 25.358 581 HD13 LEU 112 HD13 LEU 112 12.068 29.956 26.162 582 HD21 LEU 112 HD21 LEU 112 13.650 32.721 25.161 583 HD22 LEU 112 HD22 LEU 112 11.974 32.396 25.606 584 HD23 LEU 112 HD23 LEU 112 12.368 32.910 23.965 585 HA PRO 113 HA PRO 113 16.962 31.479 19.387 586 HB2 PRO 113 HB2 PRO 113 16.992 33.859 18.105 587 HB3 PRO 113 HB3 PRO 113 15.865 32.563 17.657 588 HG2 PRO 113 HG2 PRO 113 15.374 35.039 19.209 589 HG3 PRO 113 HG3 PRO 113 14.320 34.188 18.067 590 HD2 PRO 113 HD2 PRO 113 14.136 34.012 20.845 591 HD3 PRO 113 HD3 PRO 113 13.435 32.854 19.696 592 H LEU 114 H LEU 114 18.716 31.515 20.713 593 HA LEU 114 HA LEU 114 19.402 33.970 22.160 594 HB2 LEU 114 HB2 LEU 114 20.719 31.243 22.227 595 HB3 LEU 114 HB3 LEU 114 21.063 32.592 23.307 596 HG LEU 114 HG LEU 114 18.362 31.236 23.046 597 HD11 LEU 114 HD11 LEU 114 20.609 30.962 25.054 598 HD12 LEU 114 HD12 LEU 114 19.838 29.686 24.112 599 HD13 LEU 114 HD13 LEU 114 18.952 30.478 25.416 600 HD21 LEU 114 HD21 LEU 114 19.446 33.511 24.699 601 HD22 LEU 114 HD22 LEU 114 18.115 32.528 25.307 602 HD23 LEU 114 HD23 LEU 114 17.932 33.423 23.799 603 H LYS 115 H LYS 115 21.181 35.197 21.736 604 HA LYS 115 HA LYS 115 22.745 34.488 19.318 605 HB2 LYS 115 HB2 LYS 115 22.004 37.204 20.425 606 HB3 LYS 115 HB3 LYS 115 23.072 36.935 19.048 607 HG2 LYS 115 HG2 LYS 115 21.227 35.708 17.902 608 HG3 LYS 115 HG3 LYS 115 20.162 36.113 19.248 609 HD2 LYS 115 HD2 LYS 115 20.615 38.533 18.826 610 HD3 LYS 115 HD3 LYS 115 21.555 38.074 17.405 611 HE2 LYS 115 HE2 LYS 115 18.680 37.222 17.794 612 HE3 LYS 115 HE3 LYS 115 19.126 38.709 16.957 613 HZ1 LYS 115 HZ1 LYS 115 19.901 35.942 16.217 614 HZ2 LYS 115 HZ2 LYS 115 20.535 37.336 15.481 615 HZ3 LYS 115 HZ3 LYS 115 18.878 36.983 15.353 616 H LYS 116 H LYS 116 24.866 34.223 19.549 617 HA LYS 116 HA LYS 116 26.191 34.294 22.027 618 HB2 LYS 116 HB2 LYS 116 27.309 34.402 19.217 619 HB3 LYS 116 HB3 LYS 116 28.271 34.115 20.668 620 HG2 LYS 116 HG2 LYS 116 26.839 32.138 21.184 621 HG3 LYS 116 HG3 LYS 116 25.989 32.394 19.659 622 HD2 LYS 116 HD2 LYS 116 28.168 32.181 18.456 623 HD3 LYS 116 HD3 LYS 116 28.941 31.792 19.993 624 HE2 LYS 116 HE2 LYS 116 26.530 30.230 19.120 625 HE3 LYS 116 HE3 LYS 116 28.108 29.844 18.436 626 HZ1 LYS 116 HZ1 LYS 116 28.942 29.222 20.466 627 HZ2 LYS 116 HZ2 LYS 116 27.332 28.699 20.607 628 HZ3 LYS 116 HZ3 LYS 116 27.824 30.147 21.346 629 H LEU 117 H LEU 117 25.883 36.724 19.485 630 HA LEU 117 HA LEU 117 27.361 38.647 21.188 631 HB2 LEU 117 HB2 LEU 117 28.355 38.080 18.923 632 HB3 LEU 117 HB3 LEU 117 26.943 38.858 18.205 633 HG LEU 117 HG LEU 117 27.556 40.841 19.809 634 HD11 LEU 117 HD11 LEU 117 29.907 41.012 20.343 635 HD12 LEU 117 HD12 LEU 117 30.264 39.521 19.473 636 HD13 LEU 117 HD13 LEU 117 29.331 39.467 20.968 637 HD21 LEU 117 HD21 LEU 117 29.289 41.595 18.029 638 HD22 LEU 117 HD22 LEU 117 27.656 41.224 17.478 639 HD23 LEU 117 HD23 LEU 117 28.950 40.049 17.251 640 HA PRO 118 HA PRO 118 22.961 40.039 20.995 641 HB2 PRO 118 HB2 PRO 118 22.820 41.142 23.482 642 HB3 PRO 118 HB3 PRO 118 22.582 39.411 23.170 643 HG2 PRO 118 HG2 PRO 118 24.981 40.831 24.203 644 HG3 PRO 118 HG3 PRO 118 24.295 39.268 24.684 645 HD2 PRO 118 HD2 PRO 118 26.465 39.496 23.029 646 HD3 PRO 118 HD3 PRO 118 25.339 38.123 22.980 647 H PHE 119 H PHE 119 25.850 41.643 20.849 648 HA PHE 119 HA PHE 119 24.647 44.327 21.007 649 HB2 PHE 119 HB2 PHE 119 27.522 43.446 20.713 650 HB3 PHE 119 HB3 PHE 119 26.987 45.115 20.767 651 HD1 PHE 119 HD2 PHE 119 26.023 46.051 22.867 652 HD2 PHE 119 HD1 PHE 119 27.709 42.104 22.689 653 HE1 PHE 119 HE2 PHE 119 26.162 45.998 25.343 654 HE2 PHE 119 HE1 PHE 119 27.847 42.051 25.165 655 HZ PHE 119 HZ PHE 119 27.073 43.997 26.492 656 H GLU 120 H GLU 120 24.155 45.441 19.220 657 HA GLU 120 HA GLU 120 24.991 44.324 16.605 658 HB2 GLU 120 HB2 GLU 120 22.498 45.882 17.327 659 HB3 GLU 120 HB3 GLU 120 22.918 45.314 15.710 660 HG2 GLU 120 HG2 GLU 120 22.519 43.539 18.134 661 HG3 GLU 120 HG3 GLU 120 21.342 43.775 16.849 662 H TYR 121 H TYR 121 25.540 45.757 14.945 663 HA TYR 121 HA TYR 121 26.132 48.538 15.787 664 HB2 TYR 121 HB2 TYR 121 28.163 47.143 15.538 665 HB3 TYR 121 HB3 TYR 121 27.704 46.799 13.881 666 HD1 TYR 121 HD1 TYR 121 28.847 49.425 16.225 667 HD2 TYR 121 HD2 TYR 121 28.055 48.412 12.127 668 HE1 TYR 121 HE1 TYR 121 30.027 51.479 15.489 669 HE2 TYR 121 HE2 TYR 121 29.235 50.465 11.391 670 HH TYR 121 HH TYR 121 29.975 52.952 13.387 671 H SER 122 H SER 122 25.531 50.149 14.406 672 HA SER 122 HA SER 122 24.081 49.321 11.955 673 HB2 SER 122 HB2 SER 122 22.652 50.295 13.740 674 HB3 SER 122 HB3 SER 122 23.619 51.765 13.677 675 HG SER 122 HG SER 122 21.817 50.765 11.873 676 H ALA 123 H ALA 123 24.669 50.169 10.063 677 HA ALA 123 HA ALA 123 27.052 51.679 9.774 678 HB1 ALA 123 HB1 ALA 123 26.531 50.344 7.933 679 HB2 ALA 123 HB2 ALA 123 26.109 51.962 7.370 680 HB3 ALA 123 HB3 ALA 123 24.844 50.859 7.912 681 H LEU 124 H LEU 124 23.675 52.611 10.026 682 HA LEU 124 HA LEU 124 24.319 55.391 9.321 683 HB2 LEU 124 HB2 LEU 124 22.311 54.027 8.394 684 HB3 LEU 124 HB3 LEU 124 21.572 54.371 9.959 685 HG LEU 124 HG LEU 124 22.156 56.824 9.539 686 HD11 LEU 124 HD11 LEU 124 22.857 55.572 6.896 687 HD12 LEU 124 HD12 LEU 124 23.726 56.811 7.802 688 HD13 LEU 124 HD13 LEU 124 22.238 57.223 6.948 689 HD21 LEU 124 HD21 LEU 124 20.205 55.363 7.732 690 HD22 LEU 124 HD22 LEU 124 20.206 57.110 7.973 691 HD23 LEU 124 HD23 LEU 124 19.867 56.034 9.328 692 HA PRO 125 HA PRO 125 24.551 55.830 13.941 693 HB2 PRO 125 HB2 PRO 125 24.798 58.672 13.044 694 HB3 PRO 125 HB3 PRO 125 25.722 57.793 14.278 695 HG2 PRO 125 HG2 PRO 125 26.746 58.312 11.878 696 HG3 PRO 125 HG3 PRO 125 27.100 56.803 12.742 697 HD2 PRO 125 HD2 PRO 125 25.376 57.234 10.360 698 HD3 PRO 125 HD3 PRO 125 26.264 55.783 10.868 699 H LEU 126 H LEU 126 22.542 57.505 11.591 700 HA LEU 126 HA LEU 126 20.889 58.985 13.290 701 HB2 LEU 126 HB2 LEU 126 20.120 57.594 10.712 702 HB3 LEU 126 HB3 LEU 126 19.245 58.922 11.473 703 HG LEU 126 HG LEU 126 22.121 59.078 10.524 704 HD11 LEU 126 HD11 LEU 126 19.489 59.797 9.259 705 HD12 LEU 126 HD12 LEU 126 20.893 59.015 8.534 706 HD13 LEU 126 HD13 LEU 126 20.928 60.743 8.881 707 HD21 LEU 126 HD21 LEU 126 21.466 61.605 10.766 708 HD22 LEU 126 HD22 LEU 126 21.900 60.695 12.214 709 HD23 LEU 126 HD23 LEU 126 20.203 60.996 11.836 710 H LEU 127 H LEU 127 20.686 55.582 12.324 711 HA LEU 127 HA LEU 127 18.274 55.165 13.890 712 HB2 LEU 127 HB2 LEU 127 20.059 53.152 12.500 713 HB3 LEU 127 HB3 LEU 127 18.454 52.841 13.158 714 HG LEU 127 HG LEU 127 19.060 54.836 10.955 715 HD11 LEU 127 HD11 LEU 127 18.092 51.980 10.945 716 HD12 LEU 127 HD12 LEU 127 19.358 52.717 9.964 717 HD13 LEU 127 HD13 LEU 127 17.664 53.085 9.639 718 HD21 LEU 127 HD21 LEU 127 16.517 54.672 10.707 719 HD22 LEU 127 HD22 LEU 127 17.094 55.528 12.138 720 HD23 LEU 127 HD23 LEU 127 16.512 53.869 12.277 721 H GLY 128 H GLY 128 18.137 54.153 15.847 722 HA2 GLY 128 HA2 GLY 128 20.691 53.746 17.285 723 HA3 GLY 128 HA3 GLY 128 19.163 54.191 18.040 724 H SER 129 H SER 129 20.375 51.602 15.894 725 HA SER 129 HA SER 129 18.543 49.635 16.644 726 HB2 SER 129 HB2 SER 129 20.118 49.486 14.714 727 HB3 SER 129 HB3 SER 129 21.430 49.195 15.852 728 HG SER 129 HG SER 129 20.195 47.349 14.915 729 H ALA 130 H ALA 130 21.568 50.620 18.190 730 HA ALA 130 HA ALA 130 21.581 48.412 20.027 731 HB1 ALA 130 HB1 ALA 130 23.607 49.722 19.210 732 HB2 ALA 130 HB2 ALA 130 23.534 49.393 20.941 733 HB3 ALA 130 HB3 ALA 130 23.109 50.991 20.329 734 HA PRO 131 HA PRO 131 18.533 50.513 22.702 735 HB2 PRO 131 HB2 PRO 131 19.502 48.656 24.815 736 HB3 PRO 131 HB3 PRO 131 17.852 48.940 24.228 737 HG2 PRO 131 HG2 PRO 131 19.166 46.720 23.616 738 HG3 PRO 131 HG3 PRO 131 18.090 47.511 22.447 739 HD2 PRO 131 HD2 PRO 131 21.088 47.539 22.557 740 HD3 PRO 131 HD3 PRO 131 20.012 47.465 21.143 741 H LEU 132 H LEU 132 21.799 49.720 23.833 742 HA LEU 132 HA LEU 132 21.757 51.893 25.780 743 HB2 LEU 132 HB2 LEU 132 23.994 49.992 25.038 744 HB3 LEU 132 HB3 LEU 132 23.973 51.090 26.417 745 HG LEU 132 HG LEU 132 21.978 48.850 25.964 746 HD11 LEU 132 HD11 LEU 132 24.070 47.828 26.491 747 HD12 LEU 132 HD12 LEU 132 23.185 47.902 28.015 748 HD13 LEU 132 HD13 LEU 132 24.460 49.072 27.677 749 HD21 LEU 132 HD21 LEU 132 20.951 50.572 27.271 750 HD22 LEU 132 HD22 LEU 132 22.429 50.850 28.192 751 HD23 LEU 132 HD23 LEU 132 21.508 49.365 28.429 752 H VAL 133 H VAL 133 22.889 53.782 25.617 753 HA VAL 133 HA VAL 133 24.236 54.314 23.028 754 HB VAL 133 HB VAL 133 22.723 56.282 24.765 755 HG11 VAL 133 HG11 VAL 133 22.928 57.584 22.509 756 HG12 VAL 133 HG12 VAL 133 24.261 56.475 22.184 757 HG13 VAL 133 HG13 VAL 133 24.321 57.538 23.591 758 HG21 VAL 133 HG21 VAL 133 21.959 55.110 22.072 759 HG22 VAL 133 HG22 VAL 133 21.006 56.230 23.044 760 HG23 VAL 133 HG23 VAL 133 21.274 54.582 23.609 761 H ALA 134 H ALA 134 26.276 55.022 23.111 762 HA ALA 134 HA ALA 134 27.748 55.008 25.528 763 HB1 ALA 134 HB1 ALA 134 28.686 56.431 23.055 764 HB2 ALA 134 HB2 ALA 134 28.549 54.673 23.079 765 HB3 ALA 134 HB3 ALA 134 29.620 55.489 24.217 766 H ALA 135 H ALA 135 26.267 57.618 23.662 767 HA ALA 135 HA ALA 135 27.560 59.799 24.860 768 HB1 ALA 135 HB1 ALA 135 24.713 59.657 23.840 769 HB2 ALA 135 HB2 ALA 135 26.136 59.971 22.845 770 HB3 ALA 135 HB3 ALA 135 25.657 61.126 24.089 771 H GLY 136 H GLY 136 27.142 61.035 26.649 772 HA2 GLY 136 HA2 GLY 136 25.341 59.832 28.662 773 HA3 GLY 136 HA3 GLY 136 26.758 60.812 29.025 774 H GLY 137 H GLY 137 25.507 62.214 30.326 775 HA2 GLY 137 HA2 GLY 137 24.785 64.501 30.303 776 HA3 GLY 137 HA3 GLY 137 23.985 64.199 28.764 777 H VAL 138 H VAL 138 22.726 61.716 29.571 778 HA VAL 138 HA VAL 138 20.320 62.705 30.659 779 HB VAL 138 HB VAL 138 21.316 59.844 30.560 780 HG11 VAL 138 HG11 VAL 138 18.506 60.976 30.750 781 HG12 VAL 138 HG12 VAL 138 19.371 60.163 32.055 782 HG13 VAL 138 HG13 VAL 138 18.920 59.267 30.604 783 HG21 VAL 138 HG21 VAL 138 19.641 61.436 28.593 784 HG22 VAL 138 HG22 VAL 138 20.072 59.732 28.439 785 HG23 VAL 138 HG23 VAL 138 21.326 60.970 28.354 786 H ALA 139 H ALA 139 23.053 60.992 32.134 787 HA ALA 139 HA ALA 139 21.916 60.640 34.696 788 HB1 ALA 139 HB1 ALA 139 23.815 59.345 34.336 789 HB2 ALA 139 HB2 ALA 139 24.446 60.633 35.361 790 HB3 ALA 139 HB3 ALA 139 24.715 60.682 33.619 791 H GLY 140 H GLY 140 22.110 61.834 36.590 792 HA2 GLY 140 HA2 GLY 140 22.984 64.652 36.268 793 HA3 GLY 140 HA3 GLY 140 21.558 64.189 37.192 794 H HIS 141 H HIS 141 23.992 65.621 38.054 795 HA HIS 141 HA HIS 141 24.887 63.757 40.181 796 HB2 HIS 141 HB2 HIS 141 26.452 65.968 38.846 797 HB3 HIS 141 HB3 HIS 141 27.009 65.012 40.205 798 HD1 HIS 141 HD1 HIS 141 27.053 62.288 39.636 799 HD2 HIS 141 HD2 HIS 141 27.204 64.932 36.417 800 HE1 HIS 141 HE1 HIS 141 27.949 60.971 37.670 801 H THR 142 H THR 142 24.582 64.404 42.211 802 HA THR 142 HA THR 142 23.090 66.711 42.859 803 HB THR 142 HB THR 142 24.852 65.078 44.700 804 HG1 THR 142 HG1 THR 142 23.290 63.898 43.501 805 HG21 THR 142 HG21 THR 142 23.204 65.812 46.404 806 HG22 THR 142 HG22 THR 142 22.402 66.799 45.182 807 HG23 THR 142 HG23 THR 142 24.051 67.178 45.680 808 H ASN 143 H ASN 143 26.567 66.083 42.822 809 HA ASN 143 HA ASN 143 27.456 68.263 44.323 810 HB2 ASN 143 HB2 ASN 143 28.779 66.992 41.915 811 HB3 ASN 143 HB3 ASN 143 29.580 68.004 43.115 812 HD21 ASN 143 HD21 ASN 143 29.769 64.971 42.379 813 HD22 ASN 143 HD22 ASN 143 29.663 64.206 43.891 814 H GLY 144 H GLY 144 28.653 70.179 43.423 815 HA2 GLY 144 HA2 GLY 144 28.773 72.065 42.069 816 HA3 GLY 144 HA3 GLY 144 27.717 71.266 40.908 817 H SER 145 H SER 145 27.122 71.828 44.354 818 HA SER 145 HA SER 145 24.459 72.615 44.035 819 HB2 SER 145 HB2 SER 145 26.338 73.390 46.276 820 HB3 SER 145 HB3 SER 145 24.578 73.389 46.339 821 HG SER 145 HG SER 145 26.114 71.422 46.881 822 H GLY 146 H GLY 146 27.420 74.551 44.054 823 HA2 GLY 146 HA2 GLY 146 26.330 77.100 44.346 824 HA3 GLY 146 HA3 GLY 146 27.804 76.740 43.453 825 H SER 147 H SER 147 26.700 75.114 41.431 826 HA SER 147 HA SER 147 25.838 77.019 39.546 827 HB2 SER 147 HB2 SER 147 26.912 74.832 38.994 828 HB3 SER 147 HB3 SER 147 25.414 74.025 39.447 829 HG SER 147 HG SER 147 25.403 74.466 37.267 830 H GLU 148 H GLU 148 24.032 74.774 41.598 831 HA GLU 148 HA GLU 148 21.503 75.092 40.401 832 HB2 GLU 148 HB2 GLU 148 22.237 74.447 43.263 833 HB3 GLU 148 HB3 GLU 148 20.621 74.278 42.576 834 HG2 GLU 148 HG2 GLU 148 21.543 72.729 40.861 835 HG3 GLU 148 HG3 GLU 148 23.120 72.849 41.629 836 H ASN 149 H ASN 149 23.199 77.022 42.825 837 HA ASN 149 HA ASN 149 20.837 78.714 43.207 838 HB2 ASN 149 HB2 ASN 149 22.301 77.948 45.134 839 HB3 ASN 149 HB3 ASN 149 23.550 79.019 44.500 840 HD21 ASN 149 HD21 ASN 149 23.350 80.347 46.489 841 HD22 ASN 149 HD22 ASN 149 22.039 81.410 46.672 842 H LEU 150 H LEU 150 20.533 80.196 41.673 843 HA LEU 150 HA LEU 150 22.487 81.232 39.942 844 HB2 LEU 150 HB2 LEU 150 20.027 81.317 39.549 845 HB3 LEU 150 HB3 LEU 150 19.905 82.564 40.790 846 HG LEU 150 HG LEU 150 21.600 83.905 39.458 847 HD11 LEU 150 HD11 LEU 150 21.029 81.663 37.508 848 HD12 LEU 150 HD12 LEU 150 22.599 82.221 38.086 849 HD13 LEU 150 HD13 LEU 150 21.653 83.230 36.991 850 HD21 LEU 150 HD21 LEU 150 19.257 84.503 39.353 851 HD22 LEU 150 HD22 LEU 150 18.922 83.184 38.230 852 HD23 LEU 150 HD23 LEU 150 19.896 84.560 37.711 853 H TYR 151 H TYR 151 21.293 82.399 43.064 854 HA TYR 151 HA TYR 151 22.777 84.867 42.935 855 HB2 TYR 151 HB2 TYR 151 20.670 84.620 44.218 856 HB3 TYR 151 HB3 TYR 151 21.482 83.504 45.299 857 HD1 TYR 151 HD1 TYR 151 21.287 87.020 44.165 858 HD2 TYR 151 HD2 TYR 151 22.972 84.291 47.021 859 HE1 TYR 151 HE1 TYR 151 22.042 88.935 45.548 860 HE2 TYR 151 HE2 TYR 151 23.728 86.206 48.405 861 HH TYR 151 HH TYR 151 23.935 89.243 47.348 862 H PHE 152 H PHE 152 24.750 85.319 43.751 863 HA PHE 152 HA PHE 152 26.232 83.118 45.077 864 HB2 PHE 152 HB2 PHE 152 27.264 85.255 43.208 865 HB3 PHE 152 HB3 PHE 152 28.261 84.085 44.051 866 HD1 PHE 152 HD2 PHE 152 28.133 81.671 43.451 867 HD2 PHE 152 HD1 PHE 152 26.019 84.687 41.240 868 HE1 PHE 152 HE2 PHE 152 27.815 80.075 41.579 869 HE2 PHE 152 HE1 PHE 152 25.701 83.091 39.369 870 HZ PHE 152 HZ PHE 152 26.598 80.785 39.538 871 H GLN 153 H GLN 153 27.791 83.734 46.654 872 HA GLN 153 HA GLN 153 27.536 86.482 47.705 873 HB2 GLN 153 HB2 GLN 153 26.036 84.948 48.978 874 HB3 GLN 153 HB3 GLN 153 27.448 83.980 49.406 875 HG2 GLN 153 HG2 GLN 153 28.471 85.920 50.506 876 HG3 GLN 153 HG3 GLN 153 27.102 86.923 50.044 877 HE21 GLN 153 HE21 GLN 153 27.608 86.815 52.735 878 HE22 GLN 153 HE22 GLN 153 26.471 85.836 53.529 Start of MODEL 8 1 H1 MET 39 HT1 MET 39 33.601 23.710 34.182 2 H2 MET 39 HT2 MET 39 34.122 25.265 34.623 3 H3 MET 39 HT3 MET 39 33.443 24.233 35.787 4 HA MET 39 HA MET 39 35.633 23.940 36.278 5 HB2 MET 39 HB2 MET 39 35.184 22.034 33.958 6 HB3 MET 39 HB3 MET 39 36.381 21.832 35.234 7 HG2 MET 39 HG2 MET 39 33.373 21.897 35.612 8 HG3 MET 39 HG3 MET 39 34.394 20.466 35.699 9 HE1 MET 39 HE1 MET 39 37.022 21.670 37.230 10 HE2 MET 39 HE2 MET 39 36.239 20.091 37.267 11 HE3 MET 39 HE3 MET 39 36.558 20.945 38.774 12 H ASN 40 H ASN 40 37.921 23.629 35.410 13 HA ASN 40 HA ASN 40 38.364 25.602 33.257 14 HB2 ASN 40 HB2 ASN 40 40.188 24.623 35.464 15 HB3 ASN 40 HB3 ASN 40 40.653 25.773 34.213 16 HD21 ASN 40 HD21 ASN 40 40.590 26.389 37.066 17 HD22 ASN 40 HD22 ASN 40 39.420 27.598 37.288 18 H GLY 41 H GLY 41 39.065 24.920 31.351 19 HA2 GLY 41 HA2 GLY 41 39.522 22.250 30.664 20 HA3 GLY 41 HA3 GLY 41 40.031 23.635 29.707 21 H GLU 42 H GLU 42 41.774 24.723 31.790 22 HA GLU 42 HA GLU 42 44.193 23.530 31.051 23 HB2 GLU 42 HB2 GLU 42 43.545 25.224 33.471 24 HB3 GLU 42 HB3 GLU 42 45.175 24.845 32.916 25 HG2 GLU 42 HG2 GLU 42 44.633 25.872 30.716 26 HG3 GLU 42 HG3 GLU 42 43.049 26.316 31.335 27 H ASN 43 H ASN 43 42.060 22.843 33.777 28 HA ASN 43 HA ASN 43 43.773 21.401 35.425 29 HB2 ASN 43 HB2 ASN 43 40.841 20.941 34.848 30 HB3 ASN 43 HB3 ASN 43 41.723 20.195 36.178 31 HD21 ASN 43 HD21 ASN 43 39.489 21.994 36.577 32 HD22 ASN 43 HD22 ASN 43 40.082 23.382 37.354 33 H TYR 44 H TYR 44 42.105 20.365 32.486 34 HA TYR 44 HA TYR 44 43.504 17.755 32.668 35 HB2 TYR 44 HB2 TYR 44 40.982 18.474 31.167 36 HB3 TYR 44 HB3 TYR 44 41.758 16.902 31.165 37 HD1 TYR 44 HD2 TYR 44 41.866 15.578 33.315 38 HD2 TYR 44 HD1 TYR 44 39.513 19.148 32.903 39 HE1 TYR 44 HE2 TYR 44 40.557 14.947 35.324 40 HE2 TYR 44 HE1 TYR 44 38.204 18.517 34.913 41 HH TYR 44 HH TYR 44 39.146 16.182 37.038 42 H PHE 45 H PHE 45 44.896 17.218 31.089 43 HA PHE 45 HA PHE 45 45.765 19.194 29.227 44 HB2 PHE 45 HB2 PHE 45 47.316 17.503 28.451 45 HB3 PHE 45 HB3 PHE 45 47.271 17.520 30.204 46 HD1 PHE 45 HD2 PHE 45 46.131 15.687 31.444 47 HD2 PHE 45 HD1 PHE 45 46.611 15.597 27.177 48 HE1 PHE 45 HE2 PHE 45 45.630 13.259 31.439 49 HE2 PHE 45 HE1 PHE 45 46.111 13.169 27.172 50 HZ PHE 45 HZ PHE 45 45.620 11.999 29.303 51 H LYS 46 H LYS 46 43.776 16.277 28.954 52 HA LYS 46 HA LYS 46 43.587 16.488 26.072 53 HB2 LYS 46 HB2 LYS 46 43.530 14.301 27.271 54 HB3 LYS 46 HB3 LYS 46 41.981 14.767 27.975 55 HG2 LYS 46 HG2 LYS 46 40.981 14.951 25.759 56 HG3 LYS 46 HG3 LYS 46 42.535 14.604 24.999 57 HD2 LYS 46 HD2 LYS 46 41.254 12.556 25.018 58 HD3 LYS 46 HD3 LYS 46 42.546 12.393 26.207 59 HE2 LYS 46 HE2 LYS 46 41.082 12.686 28.026 60 HE3 LYS 46 HE3 LYS 46 39.836 13.426 27.021 61 HZ1 LYS 46 HZ1 LYS 46 40.713 10.601 26.783 62 HZ2 LYS 46 HZ2 LYS 46 39.414 11.338 25.974 63 HZ3 LYS 46 HZ3 LYS 46 39.349 11.104 27.656 64 H LEU 47 H LEU 47 42.156 17.661 24.976 65 HA LEU 47 HA LEU 47 40.351 19.437 26.210 66 HB2 LEU 47 HB2 LEU 47 40.323 18.406 23.363 67 HB3 LEU 47 HB3 LEU 47 39.507 19.855 23.948 68 HG LEU 47 HG LEU 47 42.503 19.396 24.074 69 HD11 LEU 47 HD11 LEU 47 40.773 21.003 22.174 70 HD12 LEU 47 HD12 LEU 47 41.853 19.671 21.764 71 HD13 LEU 47 HD13 LEU 47 42.519 21.209 22.312 72 HD21 LEU 47 HD21 LEU 47 40.670 21.671 24.840 73 HD22 LEU 47 HD22 LEU 47 42.366 21.957 24.454 74 HD23 LEU 47 HD23 LEU 47 41.935 20.909 25.805 75 H GLY 48 H GLY 48 39.878 16.228 24.789 76 HA2 GLY 48 HA2 GLY 48 38.246 14.684 25.536 77 HA3 GLY 48 HA3 GLY 48 37.328 16.020 26.223 78 H SER 49 H SER 49 37.354 17.708 23.923 79 HA SER 49 HA SER 49 35.764 16.132 21.981 80 HB2 SER 49 HB2 SER 49 34.313 17.516 23.457 81 HB3 SER 49 HB3 SER 49 35.186 18.949 22.926 82 HG SER 49 HG SER 49 33.191 17.829 21.751 83 H ASP 50 H ASP 50 36.105 16.566 19.851 84 HA ASP 50 HA ASP 50 38.386 18.290 19.231 85 HB2 ASP 50 HB2 ASP 50 38.352 17.186 17.040 86 HB3 ASP 50 HB3 ASP 50 38.422 16.023 18.358 87 H SER 51 H SER 51 35.302 19.092 19.603 88 HA SER 51 HA SER 51 35.251 20.825 17.196 89 HB2 SER 51 HB2 SER 51 32.899 19.689 18.726 90 HB3 SER 51 HB3 SER 51 32.801 20.788 17.355 91 HG SER 51 HG SER 51 32.906 18.251 17.227 92 H LYS 52 H LYS 52 35.079 22.959 17.517 93 HA LYS 52 HA LYS 52 35.413 24.097 20.091 94 HB2 LYS 52 HB2 LYS 52 34.467 25.445 17.550 95 HB3 LYS 52 HB3 LYS 52 35.131 26.247 18.972 96 HG2 LYS 52 HG2 LYS 52 36.621 24.221 17.279 97 HG3 LYS 52 HG3 LYS 52 36.824 25.968 17.168 98 HD2 LYS 52 HD2 LYS 52 37.440 25.974 19.613 99 HD3 LYS 52 HD3 LYS 52 37.433 24.210 19.559 100 HE2 LYS 52 HE2 LYS 52 39.157 26.011 17.834 101 HE3 LYS 52 HE3 LYS 52 39.714 25.089 19.231 102 HZ1 LYS 52 HZ1 LYS 52 38.536 23.958 16.750 103 HZ2 LYS 52 HZ2 LYS 52 39.021 23.056 18.105 104 HZ3 LYS 52 HZ3 LYS 52 40.174 23.905 17.190 105 H LEU 53 H LEU 53 32.568 23.582 18.057 106 HA LEU 53 HA LEU 53 30.861 24.978 19.983 107 HB2 LEU 53 HB2 LEU 53 30.565 25.291 17.513 108 HB3 LEU 53 HB3 LEU 53 30.090 23.595 17.403 109 HG LEU 53 HG LEU 53 28.317 24.105 19.157 110 HD11 LEU 53 HD11 LEU 53 27.677 26.608 19.113 111 HD12 LEU 53 HD12 LEU 53 29.319 26.883 18.533 112 HD13 LEU 53 HD13 LEU 53 29.055 26.144 20.112 113 HD21 LEU 53 HD21 LEU 53 27.786 23.868 16.761 114 HD22 LEU 53 HD22 LEU 53 28.176 25.569 16.501 115 HD23 LEU 53 HD23 LEU 53 26.789 25.124 17.496 116 H LEU 54 H LEU 54 29.765 23.953 21.530 117 HA LEU 54 HA LEU 54 30.151 21.222 22.087 118 HB2 LEU 54 HB2 LEU 54 27.972 23.059 23.109 119 HB3 LEU 54 HB3 LEU 54 28.468 21.533 23.840 120 HG LEU 54 HG LEU 54 30.291 23.925 23.447 121 HD11 LEU 54 HD11 LEU 54 28.781 22.890 25.861 122 HD12 LEU 54 HD12 LEU 54 28.659 24.488 25.124 123 HD13 LEU 54 HD13 LEU 54 30.130 24.021 25.977 124 HD21 LEU 54 HD21 LEU 54 31.604 22.513 25.214 125 HD22 LEU 54 HD22 LEU 54 31.683 22.030 23.520 126 HD23 LEU 54 HD23 LEU 54 30.615 21.172 24.632 127 H THR 55 H THR 55 27.504 22.923 20.465 128 HA THR 55 HA THR 55 25.769 20.653 20.352 129 HB THR 55 HB THR 55 25.774 23.106 18.579 130 HG1 THR 55 HG1 THR 55 25.641 23.402 20.902 131 HG21 THR 55 HG21 THR 55 23.749 20.966 19.240 132 HG22 THR 55 HG22 THR 55 24.320 21.473 17.650 133 HG23 THR 55 HG23 THR 55 23.272 22.535 18.591 134 H HIS 56 H HIS 56 25.845 18.959 19.040 135 HA HIS 56 HA HIS 56 27.912 18.525 17.178 136 HB2 HIS 56 HB2 HIS 56 25.233 17.166 17.475 137 HB3 HIS 56 HB3 HIS 56 26.532 16.583 16.451 138 HD1 HIS 56 HD1 HIS 56 25.447 16.849 20.016 139 HD2 HIS 56 HD2 HIS 56 28.733 15.427 17.879 140 HE1 HIS 56 HE1 HIS 56 26.818 15.476 21.642 141 H ASN 57 H ASN 57 24.581 19.652 16.769 142 HA ASN 57 HA ASN 57 24.957 19.791 13.861 143 HB2 ASN 57 HB2 ASN 57 22.857 18.834 14.942 144 HB3 ASN 57 HB3 ASN 57 22.463 20.487 15.410 145 HD21 ASN 57 HD21 ASN 57 20.569 20.424 13.947 146 HD22 ASN 57 HD22 ASN 57 20.782 20.568 12.270 147 H SER 58 H SER 58 26.117 21.561 13.337 148 HA SER 58 HA SER 58 26.104 24.034 14.673 149 HB2 SER 58 HB2 SER 58 26.707 23.506 11.755 150 HB3 SER 58 HB3 SER 58 27.206 24.915 12.687 151 HG SER 58 HG SER 58 28.560 22.826 12.458 152 H TYR 59 H TYR 59 24.056 22.783 12.088 153 HA TYR 59 HA TYR 59 22.927 25.195 11.211 154 HB2 TYR 59 HB2 TYR 59 21.721 22.431 11.322 155 HB3 TYR 59 HB3 TYR 59 21.038 23.783 10.438 156 HD1 TYR 59 HD2 TYR 59 22.327 24.774 8.508 157 HD2 TYR 59 HD1 TYR 59 23.498 21.123 10.444 158 HE1 TYR 59 HE2 TYR 59 23.740 24.192 6.556 159 HE2 TYR 59 HE1 TYR 59 24.912 20.540 8.492 160 HH TYR 59 HH TYR 59 26.052 22.239 6.501 161 H GLN 60 H GLN 60 22.136 23.172 13.994 162 HA GLN 60 HA GLN 60 19.739 24.737 14.569 163 HB2 GLN 60 HB2 GLN 60 19.783 22.268 14.923 164 HB3 GLN 60 HB3 GLN 60 21.008 22.503 16.171 165 HG2 GLN 60 HG2 GLN 60 19.462 23.912 17.454 166 HG3 GLN 60 HG3 GLN 60 18.241 23.741 16.197 167 HE21 GLN 60 HE21 GLN 60 17.461 22.927 18.697 168 HE22 GLN 60 HE22 GLN 60 17.421 21.234 18.802 169 H ASN 61 H ASN 61 19.894 26.600 15.616 170 HA ASN 61 HA ASN 61 21.812 26.833 17.843 171 HB2 ASN 61 HB2 ASN 61 22.448 29.068 17.142 172 HB3 ASN 61 HB3 ASN 61 22.793 27.916 15.855 173 HD21 ASN 61 HD21 ASN 61 22.441 30.708 15.312 174 HD22 ASN 61 HD22 ASN 61 21.018 30.899 14.405 175 H ARG 62 H ARG 62 18.842 26.425 17.693 176 HA ARG 62 HA ARG 62 18.073 28.781 19.310 177 HB2 ARG 62 HB2 ARG 62 16.364 27.330 17.273 178 HB3 ARG 62 HB3 ARG 62 15.791 28.590 18.367 179 HG2 ARG 62 HG2 ARG 62 17.472 30.153 17.398 180 HG3 ARG 62 HG3 ARG 62 17.938 28.899 16.247 181 HD2 ARG 62 HD2 ARG 62 15.533 28.819 15.489 182 HD3 ARG 62 HD3 ARG 62 15.229 30.229 16.501 183 HE ARG 62 HE ARG 62 17.378 30.935 14.929 184 HH11 ARG 62 HH11 ARG 62 14.103 29.857 14.266 185 HH12 ARG 62 HH12 ARG 62 14.017 30.719 12.766 186 HH21 ARG 62 HH21 ARG 62 17.209 32.022 12.990 187 HH22 ARG 62 HH22 ARG 62 15.754 31.928 12.053 188 H LEU 63 H LEU 63 16.610 28.359 21.016 189 HA LEU 63 HA LEU 63 16.586 25.529 21.861 190 HB2 LEU 63 HB2 LEU 63 16.104 28.037 23.488 191 HB3 LEU 63 HB3 LEU 63 16.206 26.393 24.116 192 HG LEU 63 HG LEU 63 18.442 27.814 22.640 193 HD11 LEU 63 HD11 LEU 63 19.505 28.061 24.801 194 HD12 LEU 63 HD12 LEU 63 18.213 27.158 25.591 195 HD13 LEU 63 HD13 LEU 63 17.887 28.754 24.913 196 HD21 LEU 63 HD21 LEU 63 19.714 25.845 23.793 197 HD22 LEU 63 HD22 LEU 63 18.789 25.506 22.330 198 HD23 LEU 63 HD23 LEU 63 18.119 25.099 23.910 199 H PHE 64 H PHE 64 14.740 24.433 21.714 200 HA PHE 64 HA PHE 64 12.224 25.899 21.349 201 HB2 PHE 64 HB2 PHE 64 12.903 22.975 21.018 202 HB3 PHE 64 HB3 PHE 64 11.317 23.671 20.738 203 HD1 PHE 64 HD2 PHE 64 10.952 25.230 18.834 204 HD2 PHE 64 HD1 PHE 64 14.694 23.210 19.438 205 HE1 PHE 64 HE2 PHE 64 11.612 25.755 16.502 206 HE2 PHE 64 HE1 PHE 64 15.355 23.736 17.106 207 HZ PHE 64 HZ PHE 64 13.813 25.009 15.638 208 H TYR 65 H TYR 65 10.764 26.093 22.941 209 HA TYR 65 HA TYR 65 10.824 24.123 25.161 210 HB2 TYR 65 HB2 TYR 65 11.557 26.492 25.737 211 HB3 TYR 65 HB3 TYR 65 9.913 26.989 25.385 212 HD1 TYR 65 HD2 TYR 65 12.079 25.062 27.658 213 HD2 TYR 65 HD1 TYR 65 8.085 26.451 26.901 214 HE1 TYR 65 HE2 TYR 65 11.427 24.446 29.970 215 HE2 TYR 65 HE1 TYR 65 7.434 25.835 29.215 216 HH TYR 65 HH TYR 65 8.195 25.055 31.181 217 H THR 66 H THR 66 8.816 23.351 25.863 218 HA THR 66 HA THR 66 6.579 23.922 24.001 219 HB THR 66 HB THR 66 7.067 21.412 25.618 220 HG1 THR 66 HG1 THR 66 7.747 22.153 23.045 221 HG21 THR 66 HG21 THR 66 5.431 20.620 23.710 222 HG22 THR 66 HG22 THR 66 5.001 22.328 23.645 223 HG23 THR 66 HG23 THR 66 4.789 21.422 25.142 224 H LEU 67 H LEU 67 4.579 24.358 24.776 225 HA LEU 67 HA LEU 67 4.349 25.116 27.571 226 HB2 LEU 67 HB2 LEU 67 2.459 25.321 25.216 227 HB3 LEU 67 HB3 LEU 67 2.082 25.917 26.830 228 HG LEU 67 HG LEU 67 4.521 26.781 25.252 229 HD11 LEU 67 HD11 LEU 67 3.065 28.969 25.171 230 HD12 LEU 67 HD12 LEU 67 1.715 27.853 25.376 231 HD13 LEU 67 HD13 LEU 67 2.785 27.696 23.982 232 HD21 LEU 67 HD21 LEU 67 4.175 28.739 26.980 233 HD22 LEU 67 HD22 LEU 67 4.959 27.250 27.503 234 HD23 LEU 67 HD23 LEU 67 3.259 27.530 27.878 235 H LYS 68 H LYS 68 3.427 23.930 29.112 236 HA LYS 68 HA LYS 68 1.712 21.644 28.337 237 HB2 LYS 68 HB2 LYS 68 4.003 20.912 29.020 238 HB3 LYS 68 HB3 LYS 68 3.726 21.657 30.595 239 HG2 LYS 68 HG2 LYS 68 1.719 20.217 30.894 240 HG3 LYS 68 HG3 LYS 68 2.084 19.428 29.359 241 HD2 LYS 68 HD2 LYS 68 4.330 18.800 30.280 242 HD3 LYS 68 HD3 LYS 68 3.825 19.453 31.840 243 HE2 LYS 68 HE2 LYS 68 3.298 17.181 32.057 244 HE3 LYS 68 HE3 LYS 68 1.759 17.881 31.552 245 HZ1 LYS 68 HZ1 LYS 68 3.477 17.149 29.363 246 HZ2 LYS 68 HZ2 LYS 68 1.829 16.816 29.610 247 HZ3 LYS 68 HZ3 LYS 68 3.015 15.829 30.322 248 H THR 69 H THR 69 -0.021 21.203 29.686 249 HA THR 69 HA THR 69 -1.319 23.328 30.897 250 HB THR 69 HB THR 69 -2.482 21.291 30.231 251 HG1 THR 69 HG1 THR 69 -2.733 21.479 32.978 252 HG21 THR 69 HG21 THR 69 -0.667 19.717 30.911 253 HG22 THR 69 HG22 THR 69 -2.253 19.226 31.505 254 HG23 THR 69 HG23 THR 69 -1.101 19.994 32.597 255 H GLY 70 H GLY 70 -1.365 24.234 32.871 256 HA2 GLY 70 HA2 GLY 70 -1.115 24.093 35.283 257 HA3 GLY 70 HA3 GLY 70 0.247 23.010 35.030 258 H GLU 71 H GLU 71 1.307 24.732 32.808 259 HA GLU 71 HA GLU 71 2.487 26.842 34.512 260 HB2 GLU 71 HB2 GLU 71 4.013 25.094 33.532 261 HB3 GLU 71 HB3 GLU 71 3.584 25.703 31.934 262 HG2 GLU 71 HG2 GLU 71 4.352 27.968 32.628 263 HG3 GLU 71 HG3 GLU 71 4.862 27.298 34.170 264 H THR 72 H THR 72 2.615 28.954 33.757 265 HA THR 72 HA THR 72 0.915 29.567 31.404 266 HB THR 72 HB THR 72 0.383 31.683 32.477 267 HG1 THR 72 HG1 THR 72 1.720 30.869 34.744 268 HG21 THR 72 HG21 THR 72 -1.026 30.859 34.218 269 HG22 THR 72 HG22 THR 72 0.056 29.506 34.548 270 HG23 THR 72 HG23 THR 72 -0.879 29.543 33.053 271 H VAL 73 H VAL 73 1.479 31.639 30.314 272 HA VAL 73 HA VAL 73 4.081 31.539 29.301 273 HB VAL 73 HB VAL 73 2.181 33.902 29.304 274 HG11 VAL 73 HG11 VAL 73 4.478 34.507 28.643 275 HG12 VAL 73 HG12 VAL 73 3.397 34.550 27.250 276 HG13 VAL 73 HG13 VAL 73 4.495 33.188 27.473 277 HG21 VAL 73 HG21 VAL 73 2.450 31.454 27.556 278 HG22 VAL 73 HG22 VAL 73 1.714 32.938 26.951 279 HG23 VAL 73 HG23 VAL 73 0.999 32.097 28.326 280 H ALA 74 H ALA 74 2.691 33.632 31.816 281 HA ALA 74 HA ALA 74 4.946 35.263 32.213 282 HB1 ALA 74 HB1 ALA 74 3.785 36.156 33.956 283 HB2 ALA 74 HB2 ALA 74 3.307 34.581 34.593 284 HB3 ALA 74 HB3 ALA 74 2.451 35.272 33.216 285 H ASP 75 H ASP 75 4.104 32.086 33.546 286 HA ASP 75 HA ASP 75 6.103 31.956 35.527 287 HB2 ASP 75 HB2 ASP 75 4.811 29.759 33.899 288 HB3 ASP 75 HB3 ASP 75 5.856 29.476 35.287 289 H LEU 76 H LEU 76 6.126 30.962 32.116 290 HA LEU 76 HA LEU 76 8.734 29.916 32.040 291 HB2 LEU 76 HB2 LEU 76 6.985 31.196 29.949 292 HB3 LEU 76 HB3 LEU 76 8.623 30.666 29.569 293 HG LEU 76 HG LEU 76 7.876 28.423 30.702 294 HD11 LEU 76 HD11 LEU 76 5.420 28.018 30.245 295 HD12 LEU 76 HD12 LEU 76 5.248 29.756 29.998 296 HD13 LEU 76 HD13 LEU 76 5.742 29.133 31.572 297 HD21 LEU 76 HD21 LEU 76 8.451 28.482 28.377 298 HD22 LEU 76 HD22 LEU 76 7.003 29.405 27.975 299 HD23 LEU 76 HD23 LEU 76 6.863 27.717 28.466 300 H SER 77 H SER 77 7.549 33.215 31.565 301 HA SER 77 HA SER 77 9.949 34.417 30.759 302 HB2 SER 77 HB2 SER 77 7.635 35.437 30.725 303 HB3 SER 77 HB3 SER 77 7.808 35.709 32.454 304 HG SER 77 HG SER 77 8.861 37.403 31.849 305 H LYS 78 H LYS 78 8.633 33.860 33.998 306 HA LYS 78 HA LYS 78 10.584 35.315 35.426 307 HB2 LYS 78 HB2 LYS 78 8.404 34.549 36.358 308 HB3 LYS 78 HB3 LYS 78 9.022 32.899 36.365 309 HG2 LYS 78 HG2 LYS 78 9.395 33.706 38.568 310 HG3 LYS 78 HG3 LYS 78 10.967 33.802 37.780 311 HD2 LYS 78 HD2 LYS 78 10.635 36.184 37.332 312 HD3 LYS 78 HD3 LYS 78 9.015 36.109 38.026 313 HE2 LYS 78 HE2 LYS 78 10.429 36.968 39.752 314 HE3 LYS 78 HE3 LYS 78 10.116 35.285 40.174 315 HZ1 LYS 78 HZ1 LYS 78 12.506 36.204 38.675 316 HZ2 LYS 78 HZ2 LYS 78 12.219 34.647 39.291 317 HZ3 LYS 78 HZ3 LYS 78 12.481 35.947 40.352 318 H SER 79 H SER 79 10.389 31.859 34.595 319 HA SER 79 HA SER 79 12.685 31.029 35.986 320 HB2 SER 79 HB2 SER 79 10.956 29.512 34.991 321 HB3 SER 79 HB3 SER 79 11.622 29.869 33.402 322 HG SER 79 HG SER 79 13.296 28.687 33.905 323 H GLN 80 H GLN 80 12.279 32.157 32.654 324 HA GLN 80 HA GLN 80 15.060 31.917 31.995 325 HB2 GLN 80 HB2 GLN 80 12.859 33.467 30.619 326 HB3 GLN 80 HB3 GLN 80 14.444 33.105 29.939 327 HG2 GLN 80 HG2 GLN 80 12.368 31.059 30.777 328 HG3 GLN 80 HG3 GLN 80 12.761 31.508 29.120 329 HE21 GLN 80 HE21 GLN 80 13.227 28.992 31.086 330 HE22 GLN 80 HE22 GLN 80 14.802 28.529 30.657 331 H ASP 81 H ASP 81 13.328 34.291 33.772 332 HA ASP 81 HA ASP 81 13.874 36.384 34.534 333 HB2 ASP 81 HB2 ASP 81 15.964 35.143 35.183 334 HB3 ASP 81 HB3 ASP 81 16.692 35.698 33.677 335 H ILE 82 H ILE 82 12.846 36.229 31.971 336 HA ILE 82 HA ILE 82 14.290 38.394 30.548 337 HB ILE 82 HB ILE 82 12.513 36.251 29.343 338 HG12 ILE 82 HG12 ILE 82 15.518 36.616 29.124 339 HG13 ILE 82 HG13 ILE 82 14.743 35.435 30.180 340 HG21 ILE 82 HG21 ILE 82 14.240 38.401 28.072 341 HG22 ILE 82 HG22 ILE 82 12.477 38.405 28.131 342 HG23 ILE 82 HG23 ILE 82 13.325 37.171 27.200 343 HD11 ILE 82 HD11 ILE 82 13.517 34.634 28.040 344 HD12 ILE 82 HD12 ILE 82 15.216 34.198 28.228 345 HD13 ILE 82 HD13 ILE 82 14.759 35.531 27.167 346 H ASN 83 H ASN 83 13.026 40.076 29.690 347 HA ASN 83 HA ASN 83 10.621 40.649 31.155 348 HB2 ASN 83 HB2 ASN 83 11.942 42.087 28.842 349 HB3 ASN 83 HB3 ASN 83 10.580 42.712 29.768 350 HD21 ASN 83 HD21 ASN 83 13.202 43.991 29.640 351 HD22 ASN 83 HD22 ASN 83 13.844 43.970 31.210 352 H LEU 84 H LEU 84 8.519 40.574 30.479 353 HA LEU 84 HA LEU 84 7.755 38.734 28.519 354 HB2 LEU 84 HB2 LEU 84 6.175 41.040 29.683 355 HB3 LEU 84 HB3 LEU 84 5.484 39.708 28.756 356 HG LEU 84 HG LEU 84 7.087 39.337 31.303 357 HD11 LEU 84 HD11 LEU 84 4.141 39.681 30.792 358 HD12 LEU 84 HD12 LEU 84 5.131 40.370 32.079 359 HD13 LEU 84 HD13 LEU 84 4.690 38.662 32.124 360 HD21 LEU 84 HD21 LEU 84 5.891 37.076 31.173 361 HD22 LEU 84 HD22 LEU 84 7.154 37.349 29.973 362 HD23 LEU 84 HD23 LEU 84 5.458 37.512 29.520 363 H SER 85 H SER 85 8.216 42.236 28.292 364 HA SER 85 HA SER 85 7.061 42.636 25.760 365 HB2 SER 85 HB2 SER 85 7.812 44.449 27.325 366 HB3 SER 85 HB3 SER 85 9.475 44.067 26.894 367 HG SER 85 HG SER 85 8.933 45.516 25.425 368 H THR 86 H THR 86 10.356 41.704 26.704 369 HA THR 86 HA THR 86 11.495 41.752 24.123 370 HB THR 86 HB THR 86 12.249 39.941 26.429 371 HG1 THR 86 HG1 THR 86 13.216 42.473 25.819 372 HG21 THR 86 HG21 THR 86 13.353 39.302 24.373 373 HG22 THR 86 HG22 THR 86 14.520 40.168 25.372 374 HG23 THR 86 HG23 THR 86 13.748 40.983 24.011 375 H ILE 87 H ILE 87 9.884 39.158 25.932 376 HA ILE 87 HA ILE 87 10.391 37.050 24.155 377 HB ILE 87 HB ILE 87 7.940 37.468 25.891 378 HG12 ILE 87 HG12 ILE 87 10.518 35.990 26.497 379 HG13 ILE 87 HG13 ILE 87 10.154 37.612 27.084 380 HG21 ILE 87 HG21 ILE 87 7.712 35.050 25.798 381 HG22 ILE 87 HG22 ILE 87 9.193 34.909 24.851 382 HG23 ILE 87 HG23 ILE 87 7.766 35.667 24.147 383 HD11 ILE 87 HD11 ILE 87 8.734 35.030 27.746 384 HD12 ILE 87 HD12 ILE 87 7.996 36.603 28.047 385 HD13 ILE 87 HD13 ILE 87 9.502 36.167 28.853 386 H TRP 88 H TRP 88 7.687 39.346 24.288 387 HA TRP 88 HA TRP 88 6.222 38.326 22.122 388 HB2 TRP 88 HB2 TRP 88 5.354 40.001 23.701 389 HB3 TRP 88 HB3 TRP 88 6.455 41.193 23.038 390 HD1 TRP 88 HD1 TRP 88 3.401 39.080 22.046 391 HE1 TRP 88 HE1 TRP 88 2.155 40.297 20.148 392 HE3 TRP 88 HE3 TRP 88 6.634 42.941 21.203 393 HZ2 TRP 88 HZ2 TRP 88 2.485 42.607 18.486 394 HZ3 TRP 88 HZ3 TRP 88 6.147 44.630 19.460 395 HH2 TRP 88 HH2 TRP 88 4.080 44.472 18.103 396 H SER 89 H SER 89 8.775 40.821 22.171 397 HA SER 89 HA SER 89 8.576 41.667 19.540 398 HB2 SER 89 HB2 SER 89 10.814 42.510 19.765 399 HB3 SER 89 HB3 SER 89 10.024 42.668 21.331 400 HG SER 89 HG SER 89 11.170 40.944 22.011 401 H LEU 90 H LEU 90 10.391 38.895 20.828 402 HA LEU 90 HA LEU 90 11.507 38.163 18.299 403 HB2 LEU 90 HB2 LEU 90 11.096 36.499 20.794 404 HB3 LEU 90 HB3 LEU 90 12.124 36.067 19.430 405 HG LEU 90 HG LEU 90 12.470 38.575 21.098 406 HD11 LEU 90 HD11 LEU 90 12.912 36.224 22.165 407 HD12 LEU 90 HD12 LEU 90 14.145 37.475 22.316 408 HD13 LEU 90 HD13 LEU 90 14.323 36.203 21.107 409 HD21 LEU 90 HD21 LEU 90 13.380 38.901 18.902 410 HD22 LEU 90 HD22 LEU 90 14.058 37.273 18.872 411 HD23 LEU 90 HD23 LEU 90 14.747 38.496 19.941 412 H ASN 91 H ASN 91 8.777 36.841 20.193 413 HA ASN 91 HA ASN 91 8.190 34.959 18.059 414 HB2 ASN 91 HB2 ASN 91 6.970 35.382 20.784 415 HB3 ASN 91 HB3 ASN 91 6.437 34.143 19.647 416 HD21 ASN 91 HD21 ASN 91 9.563 35.321 21.051 417 HD22 ASN 91 HD22 ASN 91 10.214 33.764 21.237 418 H LYS 92 H LYS 92 7.430 38.116 18.226 419 HA LYS 92 HA LYS 92 4.726 38.397 17.896 420 HB2 LYS 92 HB2 LYS 92 5.207 40.296 16.413 421 HB3 LYS 92 HB3 LYS 92 6.271 40.282 17.818 422 HG2 LYS 92 HG2 LYS 92 8.085 39.346 16.514 423 HG3 LYS 92 HG3 LYS 92 7.027 39.120 15.123 424 HD2 LYS 92 HD2 LYS 92 8.233 41.109 14.652 425 HD3 LYS 92 HD3 LYS 92 6.649 41.656 15.196 426 HE2 LYS 92 HE2 LYS 92 7.845 41.637 17.574 427 HE3 LYS 92 HE3 LYS 92 9.292 41.820 16.584 428 HZ1 LYS 92 HZ1 LYS 92 8.656 43.854 15.851 429 HZ2 LYS 92 HZ2 LYS 92 7.887 43.881 17.367 430 HZ3 LYS 92 HZ3 LYS 92 6.996 43.518 15.966 431 H HIS 93 H HIS 93 6.938 36.824 15.671 432 HA HIS 93 HA HIS 93 5.135 36.866 13.443 433 HB2 HIS 93 HB2 HIS 93 6.694 35.448 12.343 434 HB3 HIS 93 HB3 HIS 93 7.601 36.648 13.238 435 HD1 HIS 93 HD1 HIS 93 8.901 35.775 15.397 436 HD2 HIS 93 HD2 HIS 93 7.164 32.791 13.055 437 HE1 HIS 93 HE1 HIS 93 9.978 33.600 16.094 438 H LEU 94 H LEU 94 5.798 34.594 16.070 439 HA LEU 94 HA LEU 94 4.260 32.448 14.987 440 HB2 LEU 94 HB2 LEU 94 5.003 33.014 17.867 441 HB3 LEU 94 HB3 LEU 94 4.415 31.478 17.232 442 HG LEU 94 HG LEU 94 6.947 32.865 16.313 443 HD11 LEU 94 HD11 LEU 94 8.170 31.408 17.692 444 HD12 LEU 94 HD12 LEU 94 6.812 30.301 17.885 445 HD13 LEU 94 HD13 LEU 94 6.807 31.856 18.717 446 HD21 LEU 94 HD21 LEU 94 7.359 30.554 15.321 447 HD22 LEU 94 HD22 LEU 94 6.072 31.480 14.551 448 HD23 LEU 94 HD23 LEU 94 5.673 30.189 15.683 449 H TYR 95 H TYR 95 3.533 35.047 17.294 450 HA TYR 95 HA TYR 95 0.683 34.222 17.239 451 HB2 TYR 95 HB2 TYR 95 2.173 35.780 19.352 452 HB3 TYR 95 HB3 TYR 95 0.480 35.327 19.410 453 HD1 TYR 95 HD2 TYR 95 -0.136 32.880 19.555 454 HD2 TYR 95 HD1 TYR 95 3.896 34.287 20.014 455 HE1 TYR 95 HE2 TYR 95 0.490 30.735 20.631 456 HE2 TYR 95 HE1 TYR 95 4.522 32.142 21.091 457 HH TYR 95 HH TYR 95 3.622 29.781 21.117 458 H SER 96 H SER 96 -0.908 35.813 17.043 459 HA SER 96 HA SER 96 -0.196 37.952 15.280 460 HB2 SER 96 HB2 SER 96 -2.837 37.402 16.650 461 HB3 SER 96 HB3 SER 96 -2.579 38.458 15.266 462 HG SER 96 HG SER 96 -2.997 35.900 15.246 463 H SER 97 H SER 97 -1.197 37.773 18.683 464 HA SER 97 HA SER 97 -0.171 40.463 19.122 465 HB2 SER 97 HB2 SER 97 -2.225 41.378 19.979 466 HB3 SER 97 HB3 SER 97 -2.544 40.753 18.364 467 HG SER 97 HG SER 97 -3.663 40.054 20.625 468 H GLU 98 H GLU 98 -0.447 41.092 21.475 469 HA GLU 98 HA GLU 98 0.738 39.143 23.120 470 HB2 GLU 98 HB2 GLU 98 -0.693 41.706 23.853 471 HB3 GLU 98 HB3 GLU 98 0.293 40.754 24.965 472 HG2 GLU 98 HG2 GLU 98 2.229 41.011 23.428 473 HG3 GLU 98 HG3 GLU 98 1.245 42.028 22.385 474 H SER 99 H SER 99 -2.645 40.064 22.679 475 HA SER 99 HA SER 99 -3.740 38.964 25.001 476 HB2 SER 99 HB2 SER 99 -4.967 40.359 23.319 477 HB3 SER 99 HB3 SER 99 -5.012 38.956 22.257 478 HG SER 99 HG SER 99 -6.456 38.112 23.539 479 H GLU 100 H GLU 100 -3.071 37.422 21.868 480 HA GLU 100 HA GLU 100 -4.170 34.905 22.490 481 HB2 GLU 100 HB2 GLU 100 -1.962 35.672 20.576 482 HB3 GLU 100 HB3 GLU 100 -2.702 34.071 20.643 483 HG2 GLU 100 HG2 GLU 100 -4.925 35.107 20.252 484 HG3 GLU 100 HG3 GLU 100 -4.151 36.679 20.110 485 H MET 101 H MET 101 -0.975 36.276 23.141 486 HA MET 101 HA MET 101 0.281 33.873 23.963 487 HB2 MET 101 HB2 MET 101 0.797 36.741 24.785 488 HB3 MET 101 HB3 MET 101 1.864 35.384 25.149 489 HG2 MET 101 HG2 MET 101 1.999 34.917 22.681 490 HG3 MET 101 HG3 MET 101 1.101 36.409 22.403 491 HE1 MET 101 HE1 MET 101 5.344 35.872 24.023 492 HE2 MET 101 HE2 MET 101 4.198 34.641 23.499 493 HE3 MET 101 HE3 MET 101 3.961 35.455 25.044 494 H MET 102 H MET 102 -1.457 36.382 25.798 495 HA MET 102 HA MET 102 -1.066 35.305 28.358 496 HB2 MET 102 HB2 MET 102 -3.378 36.932 27.279 497 HB3 MET 102 HB3 MET 102 -3.080 36.621 28.990 498 HG2 MET 102 HG2 MET 102 -0.800 37.646 28.707 499 HG3 MET 102 HG3 MET 102 -1.266 38.103 27.069 500 HE1 MET 102 HE1 MET 102 -3.483 38.260 30.574 501 HE2 MET 102 HE2 MET 102 -2.592 39.692 31.084 502 HE3 MET 102 HE3 MET 102 -1.719 38.218 30.675 503 H LYS 103 H LYS 103 -3.520 34.609 25.919 504 HA LYS 103 HA LYS 103 -4.906 32.755 27.699 505 HB2 LYS 103 HB2 LYS 103 -5.443 33.590 24.845 506 HB3 LYS 103 HB3 LYS 103 -6.462 32.498 25.781 507 HG2 LYS 103 HG2 LYS 103 -6.741 34.286 27.497 508 HG3 LYS 103 HG3 LYS 103 -5.819 35.379 26.465 509 HD2 LYS 103 HD2 LYS 103 -7.492 35.004 24.647 510 HD3 LYS 103 HD3 LYS 103 -8.445 34.035 25.770 511 HE2 LYS 103 HE2 LYS 103 -8.874 35.900 27.182 512 HE3 LYS 103 HE3 LYS 103 -7.620 36.869 26.409 513 HZ1 LYS 103 HZ1 LYS 103 -10.207 36.009 25.245 514 HZ2 LYS 103 HZ2 LYS 103 -8.955 36.701 24.329 515 HZ3 LYS 103 HZ3 LYS 103 -9.698 37.593 25.569 516 H ALA 104 H ALA 104 -2.091 32.283 26.321 517 HA ALA 104 HA ALA 104 -2.267 30.239 24.458 518 HB1 ALA 104 HB1 ALA 104 -0.014 29.667 25.063 519 HB2 ALA 104 HB2 ALA 104 -0.198 30.405 26.654 520 HB3 ALA 104 HB3 ALA 104 -0.176 31.417 25.210 521 H ALA 105 H ALA 105 -2.280 28.012 24.564 522 HA ALA 105 HA ALA 105 -3.046 26.799 27.152 523 HB1 ALA 105 HB1 ALA 105 -4.899 27.199 25.310 524 HB2 ALA 105 HB2 ALA 105 -4.850 25.693 26.226 525 HB3 ALA 105 HB3 ALA 105 -4.186 25.754 24.592 526 HA PRO 106 HA PRO 106 -0.094 23.623 26.481 527 HB2 PRO 106 HB2 PRO 106 -2.134 21.464 26.391 528 HB3 PRO 106 HB3 PRO 106 -0.756 21.674 27.487 529 HG2 PRO 106 HG2 PRO 106 -3.257 22.088 28.294 530 HG3 PRO 106 HG3 PRO 106 -1.906 23.072 28.888 531 HD2 PRO 106 HD2 PRO 106 -4.002 23.783 26.874 532 HD3 PRO 106 HD3 PRO 106 -3.216 24.807 28.097 533 H GLY 107 H GLY 107 0.950 22.537 24.832 534 HA2 GLY 107 HA2 GLY 107 0.958 21.165 22.860 535 HA3 GLY 107 HA3 GLY 107 -0.599 21.845 22.419 536 H GLN 108 H GLN 108 0.753 24.592 23.255 537 HA GLN 108 HA GLN 108 1.634 25.153 20.533 538 HB2 GLN 108 HB2 GLN 108 1.138 26.951 22.912 539 HB3 GLN 108 HB3 GLN 108 1.682 27.526 21.335 540 HG2 GLN 108 HG2 GLN 108 -0.315 26.500 20.287 541 HG3 GLN 108 HG3 GLN 108 -0.873 25.989 21.878 542 HE21 GLN 108 HE21 GLN 108 -0.564 28.743 19.716 543 HE22 GLN 108 HE22 GLN 108 -1.385 29.846 20.709 544 H GLN 109 H GLN 109 3.611 26.318 20.090 545 HA GLN 109 HA GLN 109 5.792 25.456 21.902 546 HB2 GLN 109 HB2 GLN 109 5.784 25.905 18.909 547 HB3 GLN 109 HB3 GLN 109 7.213 25.501 19.863 548 HG2 GLN 109 HG2 GLN 109 6.184 23.403 20.578 549 HG3 GLN 109 HG3 GLN 109 4.703 23.808 19.717 550 HE21 GLN 109 HE21 GLN 109 6.192 21.428 19.122 551 HE22 GLN 109 HE22 GLN 109 6.828 21.580 17.555 552 H ILE 110 H ILE 110 7.497 26.825 22.311 553 HA ILE 110 HA ILE 110 7.242 29.637 21.430 554 HB ILE 110 HB ILE 110 8.218 28.624 24.118 555 HG12 ILE 110 HG12 ILE 110 5.762 30.284 23.504 556 HG13 ILE 110 HG13 ILE 110 5.708 28.530 23.661 557 HG21 ILE 110 HG21 ILE 110 8.024 31.370 22.872 558 HG22 ILE 110 HG22 ILE 110 9.424 30.608 23.629 559 HG23 ILE 110 HG23 ILE 110 8.067 31.145 24.621 560 HD11 ILE 110 HD11 ILE 110 6.180 28.577 25.932 561 HD12 ILE 110 HD12 ILE 110 5.252 30.066 25.761 562 HD13 ILE 110 HD13 ILE 110 7.012 30.129 25.839 563 H ILE 111 H ILE 111 9.081 30.518 20.566 564 HA ILE 111 HA ILE 111 11.478 28.780 20.499 565 HB ILE 111 HB ILE 111 10.731 31.023 18.606 566 HG12 ILE 111 HG12 ILE 111 10.624 28.021 18.170 567 HG13 ILE 111 HG13 ILE 111 9.209 29.019 18.506 568 HG21 ILE 111 HG21 ILE 111 12.551 30.073 17.230 569 HG22 ILE 111 HG22 ILE 111 12.876 28.877 18.485 570 HG23 ILE 111 HG23 ILE 111 13.159 30.588 18.804 571 HD11 ILE 111 HD11 ILE 111 11.033 29.134 16.099 572 HD12 ILE 111 HD12 ILE 111 9.917 30.440 16.497 573 HD13 ILE 111 HD13 ILE 111 9.296 28.831 16.133 574 H LEU 112 H LEU 112 13.296 29.438 21.413 575 HA LEU 112 HA LEU 112 13.565 32.270 22.231 576 HB2 LEU 112 HB2 LEU 112 14.705 29.736 23.419 577 HB3 LEU 112 HB3 LEU 112 15.202 31.358 23.905 578 HG LEU 112 HG LEU 112 12.294 30.561 23.898 579 HD11 LEU 112 HD11 LEU 112 14.087 30.400 26.324 580 HD12 LEU 112 HD12 LEU 112 13.787 28.995 25.301 581 HD13 LEU 112 HD13 LEU 112 12.447 29.780 26.134 582 HD21 LEU 112 HD21 LEU 112 12.724 32.932 24.091 583 HD22 LEU 112 HD22 LEU 112 13.969 32.657 25.310 584 HD23 LEU 112 HD23 LEU 112 12.277 32.345 25.693 585 HA PRO 113 HA PRO 113 16.868 31.530 19.102 586 HB2 PRO 113 HB2 PRO 113 16.964 34.013 18.018 587 HB3 PRO 113 HB3 PRO 113 15.732 32.821 17.558 588 HG2 PRO 113 HG2 PRO 113 15.510 35.167 19.361 589 HG3 PRO 113 HG3 PRO 113 14.332 34.502 18.215 590 HD2 PRO 113 HD2 PRO 113 14.262 34.065 20.949 591 HD3 PRO 113 HD3 PRO 113 13.492 33.016 19.740 592 H LEU 114 H LEU 114 19.002 31.697 19.494 593 HA LEU 114 HA LEU 114 19.909 33.512 21.603 594 HB2 LEU 114 HB2 LEU 114 21.388 31.287 20.186 595 HB3 LEU 114 HB3 LEU 114 21.953 32.173 21.601 596 HG LEU 114 HG LEU 114 19.416 30.513 21.505 597 HD11 LEU 114 HD11 LEU 114 21.259 28.994 21.405 598 HD12 LEU 114 HD12 LEU 114 20.780 29.053 23.101 599 HD13 LEU 114 HD13 LEU 114 22.197 29.949 22.554 600 HD21 LEU 114 HD21 LEU 114 20.822 32.115 23.645 601 HD22 LEU 114 HD22 LEU 114 19.740 30.786 24.061 602 HD23 LEU 114 HD23 LEU 114 19.125 32.177 23.167 603 H LYS 115 H LYS 115 19.355 34.358 18.683 604 HA LYS 115 HA LYS 115 21.734 34.866 17.321 605 HB2 LYS 115 HB2 LYS 115 19.188 36.497 17.414 606 HB3 LYS 115 HB3 LYS 115 20.480 36.724 16.236 607 HG2 LYS 115 HG2 LYS 115 20.210 34.345 15.536 608 HG3 LYS 115 HG3 LYS 115 18.842 34.205 16.640 609 HD2 LYS 115 HD2 LYS 115 17.725 36.085 15.431 610 HD3 LYS 115 HD3 LYS 115 19.056 36.086 14.272 611 HE2 LYS 115 HE2 LYS 115 17.384 34.742 13.258 612 HE3 LYS 115 HE3 LYS 115 18.536 33.589 13.930 613 HZ1 LYS 115 HZ1 LYS 115 16.320 34.475 15.624 614 HZ2 LYS 115 HZ2 LYS 115 17.115 32.975 15.575 615 HZ3 LYS 115 HZ3 LYS 115 15.976 33.375 14.379 616 H LYS 116 H LYS 116 20.226 36.650 19.975 617 HA LYS 116 HA LYS 116 22.164 38.813 19.766 618 HB2 LYS 116 HB2 LYS 116 19.938 38.282 21.746 619 HB3 LYS 116 HB3 LYS 116 20.954 39.724 21.743 620 HG2 LYS 116 HG2 LYS 116 20.224 40.190 19.404 621 HG3 LYS 116 HG3 LYS 116 19.129 38.811 19.502 622 HD2 LYS 116 HD2 LYS 116 18.031 39.875 21.477 623 HD3 LYS 116 HD3 LYS 116 19.059 41.290 21.244 624 HE2 LYS 116 HE2 LYS 116 18.131 41.207 18.784 625 HE3 LYS 116 HE3 LYS 116 16.827 40.270 19.514 626 HZ1 LYS 116 HZ1 LYS 116 16.752 42.882 19.399 627 HZ2 LYS 116 HZ2 LYS 116 17.640 42.744 20.841 628 HZ3 LYS 116 HZ3 LYS 116 16.101 42.035 20.717 629 H LEU 117 H LEU 117 23.916 39.098 21.021 630 HA LEU 117 HA LEU 117 24.360 37.246 23.283 631 HB2 LEU 117 HB2 LEU 117 25.641 36.818 21.005 632 HB3 LEU 117 HB3 LEU 117 26.662 38.134 21.579 633 HG LEU 117 HG LEU 117 26.664 36.763 23.827 634 HD11 LEU 117 HD11 LEU 117 25.159 35.015 23.406 635 HD12 LEU 117 HD12 LEU 117 26.719 34.254 23.096 636 HD13 LEU 117 HD13 LEU 117 25.722 34.802 21.748 637 HD21 LEU 117 HD21 LEU 117 28.604 37.223 22.267 638 HD22 LEU 117 HD22 LEU 117 28.212 35.715 21.441 639 HD23 LEU 117 HD23 LEU 117 28.714 35.689 23.131 640 HA PRO 118 HA PRO 118 25.138 41.650 24.406 641 HB2 PRO 118 HB2 PRO 118 23.303 42.009 26.335 642 HB3 PRO 118 HB3 PRO 118 22.853 42.011 24.617 643 HG2 PRO 118 HG2 PRO 118 22.444 39.925 26.671 644 HG3 PRO 118 HG3 PRO 118 21.451 40.343 25.266 645 HD2 PRO 118 HD2 PRO 118 23.315 38.215 25.432 646 HD3 PRO 118 HD3 PRO 118 22.501 38.801 23.966 647 H PHE 119 H PHE 119 27.197 40.711 25.233 648 HA PHE 119 HA PHE 119 27.186 40.533 28.193 649 HB2 PHE 119 HB2 PHE 119 29.138 39.447 26.165 650 HB3 PHE 119 HB3 PHE 119 29.467 39.516 27.886 651 HD1 PHE 119 HD2 PHE 119 28.040 38.180 29.474 652 HD2 PHE 119 HD1 PHE 119 27.781 37.745 25.209 653 HE1 PHE 119 HE2 PHE 119 26.891 36.002 29.767 654 HE2 PHE 119 HE1 PHE 119 26.631 35.567 25.502 655 HZ PHE 119 HZ PHE 119 26.186 34.695 27.780 656 H GLU 120 H GLU 120 28.302 42.013 29.335 657 HA GLU 120 HA GLU 120 29.743 44.104 27.812 658 HB2 GLU 120 HB2 GLU 120 27.684 44.817 29.049 659 HB3 GLU 120 HB3 GLU 120 28.478 44.335 30.550 660 HG2 GLU 120 HG2 GLU 120 30.349 45.891 30.022 661 HG3 GLU 120 HG3 GLU 120 29.479 46.416 28.588 662 H TYR 121 H TYR 121 31.789 44.668 28.391 663 HA TYR 121 HA TYR 121 33.040 43.138 30.603 664 HB2 TYR 121 HB2 TYR 121 34.285 44.157 28.046 665 HB3 TYR 121 HB3 TYR 121 35.140 43.332 29.335 666 HD1 TYR 121 HD2 TYR 121 34.600 40.922 29.834 667 HD2 TYR 121 HD1 TYR 121 33.051 42.974 26.393 668 HE1 TYR 121 HE2 TYR 121 34.056 38.744 28.780 669 HE2 TYR 121 HE1 TYR 121 32.508 40.796 25.339 670 HH TYR 121 HH TYR 121 33.671 38.138 25.953 671 H SER 122 H SER 122 33.957 44.270 32.192 672 HA SER 122 HA SER 122 33.644 47.074 32.391 673 HB2 SER 122 HB2 SER 122 34.855 46.882 34.475 674 HB3 SER 122 HB3 SER 122 33.771 45.504 34.320 675 HG SER 122 HG SER 122 35.554 44.328 33.643 676 H ALA 123 H ALA 123 36.316 45.090 31.254 677 HA ALA 123 HA ALA 123 38.414 46.929 31.525 678 HB1 ALA 123 HB1 ALA 123 39.620 45.570 30.000 679 HB2 ALA 123 HB2 ALA 123 38.144 44.999 29.222 680 HB3 ALA 123 HB3 ALA 123 38.542 44.467 30.855 681 H LEU 124 H LEU 124 39.227 48.530 30.237 682 HA LEU 124 HA LEU 124 37.655 49.307 27.853 683 HB2 LEU 124 HB2 LEU 124 38.539 50.971 30.193 684 HB3 LEU 124 HB3 LEU 124 38.342 51.709 28.603 685 HG LEU 124 HG LEU 124 36.176 49.991 29.808 686 HD11 LEU 124 HD11 LEU 124 36.431 53.002 30.064 687 HD12 LEU 124 HD12 LEU 124 36.768 51.868 31.371 688 HD13 LEU 124 HD13 LEU 124 35.138 51.992 30.710 689 HD21 LEU 124 HD21 LEU 124 34.872 51.714 28.311 690 HD22 LEU 124 HD22 LEU 124 35.718 50.371 27.543 691 HD23 LEU 124 HD23 LEU 124 36.448 51.976 27.564 692 HA PRO 125 HA PRO 125 42.129 49.123 26.805 693 HB2 PRO 125 HB2 PRO 125 42.005 47.579 24.595 694 HB3 PRO 125 HB3 PRO 125 41.940 46.884 26.226 695 HG2 PRO 125 HG2 PRO 125 39.760 47.319 24.272 696 HG3 PRO 125 HG3 PRO 125 39.978 46.022 25.458 697 HD2 PRO 125 HD2 PRO 125 38.309 48.257 25.774 698 HD3 PRO 125 HD3 PRO 125 38.835 47.160 27.068 699 H LEU 126 H LEU 126 41.273 51.469 26.394 700 HA LEU 126 HA LEU 126 41.090 52.020 23.500 701 HB2 LEU 126 HB2 LEU 126 39.342 52.981 25.008 702 HB3 LEU 126 HB3 LEU 126 40.608 53.898 25.825 703 HG LEU 126 HG LEU 126 41.229 54.834 23.536 704 HD11 LEU 126 HD11 LEU 126 38.683 53.354 22.893 705 HD12 LEU 126 HD12 LEU 126 40.206 53.364 22.004 706 HD13 LEU 126 HD13 LEU 126 39.156 54.780 21.970 707 HD21 LEU 126 HD21 LEU 126 38.403 55.480 24.406 708 HD22 LEU 126 HD22 LEU 126 39.587 56.569 23.682 709 HD23 LEU 126 HD23 LEU 126 39.819 55.983 25.330 710 H LEU 127 H LEU 127 42.823 52.777 22.462 711 HA LEU 127 HA LEU 127 45.337 53.060 23.689 712 HB2 LEU 127 HB2 LEU 127 44.969 52.573 21.273 713 HB3 LEU 127 HB3 LEU 127 44.447 54.242 21.049 714 HG LEU 127 HG LEU 127 46.676 54.962 22.021 715 HD11 LEU 127 HD11 LEU 127 48.457 53.112 21.754 716 HD12 LEU 127 HD12 LEU 127 47.105 51.981 21.803 717 HD13 LEU 127 HD13 LEU 127 47.423 53.034 23.181 718 HD21 LEU 127 HD21 LEU 127 46.622 53.308 19.478 719 HD22 LEU 127 HD22 LEU 127 47.930 54.407 19.915 720 HD23 LEU 127 HD23 LEU 127 46.310 55.038 19.618 721 H GLY 128 H GLY 128 42.904 55.469 22.777 722 HA2 GLY 128 HA2 GLY 128 44.557 57.705 23.548 723 HA3 GLY 128 HA3 GLY 128 42.859 57.769 23.088 724 H SER 129 H SER 129 44.902 58.338 25.570 725 HA SER 129 HA SER 129 43.650 57.269 27.844 726 HB2 SER 129 HB2 SER 129 45.871 58.400 27.827 727 HB3 SER 129 HB3 SER 129 45.048 59.941 27.612 728 HG SER 129 HG SER 129 43.933 59.361 29.569 729 H ALA 130 H ALA 130 42.870 60.108 25.901 730 HA ALA 130 HA ALA 130 40.691 60.801 27.767 731 HB1 ALA 130 HB1 ALA 130 40.627 62.920 26.349 732 HB2 ALA 130 HB2 ALA 130 42.134 62.357 25.626 733 HB3 ALA 130 HB3 ALA 130 42.056 62.692 27.356 734 HA PRO 131 HA PRO 131 38.486 58.687 24.280 735 HB2 PRO 131 HB2 PRO 131 36.199 58.153 25.746 736 HB3 PRO 131 HB3 PRO 131 37.592 57.063 25.621 737 HG2 PRO 131 HG2 PRO 131 36.862 58.950 27.795 738 HG3 PRO 131 HG3 PRO 131 37.568 57.326 27.893 739 HD2 PRO 131 HD2 PRO 131 39.068 59.556 28.228 740 HD3 PRO 131 HD3 PRO 131 39.724 58.081 27.479 741 H LEU 132 H LEU 132 37.855 60.234 22.893 742 HA LEU 132 HA LEU 132 36.636 62.675 23.553 743 HB2 LEU 132 HB2 LEU 132 36.511 61.170 20.930 744 HB3 LEU 132 HB3 LEU 132 36.180 62.887 21.156 745 HG LEU 132 HG LEU 132 38.826 61.547 21.790 746 HD11 LEU 132 HD11 LEU 132 37.825 63.094 19.399 747 HD12 LEU 132 HD12 LEU 132 38.651 61.536 19.426 748 HD13 LEU 132 HD13 LEU 132 39.543 63.014 19.789 749 HD21 LEU 132 HD21 LEU 132 37.784 64.374 21.939 750 HD22 LEU 132 HD22 LEU 132 39.506 64.061 21.718 751 HD23 LEU 132 HD23 LEU 132 38.679 63.464 23.156 752 H VAL 133 H VAL 133 35.225 59.524 22.845 753 HA VAL 133 HA VAL 133 32.609 60.357 22.247 754 HB VAL 133 HB VAL 133 33.442 58.077 21.844 755 HG11 VAL 133 HG11 VAL 133 33.097 57.493 24.775 756 HG12 VAL 133 HG12 VAL 133 34.645 58.068 24.156 757 HG13 VAL 133 HG13 VAL 133 33.959 56.559 23.554 758 HG21 VAL 133 HG21 VAL 133 30.942 58.707 22.314 759 HG22 VAL 133 HG22 VAL 133 31.179 57.792 23.803 760 HG23 VAL 133 HG23 VAL 133 31.401 57.006 22.241 761 H ALA 134 H ALA 134 31.088 61.262 23.443 762 HA ALA 134 HA ALA 134 31.466 61.951 26.160 763 HB1 ALA 134 HB1 ALA 134 28.833 61.892 24.681 764 HB2 ALA 134 HB2 ALA 134 30.031 63.171 24.482 765 HB3 ALA 134 HB3 ALA 134 29.275 62.907 26.053 766 H ALA 135 H ALA 135 29.865 59.218 24.628 767 HA ALA 135 HA ALA 135 28.172 58.387 26.676 768 HB1 ALA 135 HB1 ALA 135 29.766 56.591 24.835 769 HB2 ALA 135 HB2 ALA 135 28.266 57.403 24.387 770 HB3 ALA 135 HB3 ALA 135 28.263 56.187 25.665 771 H GLY 136 H GLY 136 28.388 57.085 28.463 772 HA2 GLY 136 HA2 GLY 136 31.116 56.272 29.250 773 HA3 GLY 136 HA3 GLY 136 30.124 57.215 30.358 774 H GLY 137 H GLY 137 31.156 54.200 29.828 775 HA2 GLY 137 HA2 GLY 137 28.929 52.516 29.936 776 HA3 GLY 137 HA3 GLY 137 30.508 52.136 30.617 777 H VAL 138 H VAL 138 30.604 54.255 32.528 778 HA VAL 138 HA VAL 138 28.459 53.426 34.403 779 HB VAL 138 HB VAL 138 31.292 54.267 35.074 780 HG11 VAL 138 HG11 VAL 138 28.888 53.434 36.689 781 HG12 VAL 138 HG12 VAL 138 29.962 54.811 36.938 782 HG13 VAL 138 HG13 VAL 138 30.519 53.179 37.308 783 HG21 VAL 138 HG21 VAL 138 31.685 51.927 35.606 784 HG22 VAL 138 HG22 VAL 138 31.113 52.032 33.941 785 HG23 VAL 138 HG23 VAL 138 30.012 51.520 35.221 786 H ALA 139 H ALA 139 27.235 54.998 35.254 787 HA ALA 139 HA ALA 139 27.369 57.653 34.283 788 HB1 ALA 139 HB1 ALA 139 25.958 57.062 36.846 789 HB2 ALA 139 HB2 ALA 139 25.403 56.247 35.385 790 HB3 ALA 139 HB3 ALA 139 25.422 58.008 35.458 791 H GLY 140 H GLY 140 28.413 56.171 37.326 792 HA2 GLY 140 HA2 GLY 140 30.033 56.860 38.822 793 HA3 GLY 140 HA3 GLY 140 30.404 58.196 37.739 794 H HIS 141 H HIS 141 27.139 57.693 38.924 795 HA HIS 141 HA HIS 141 27.420 60.124 40.591 796 HB2 HIS 141 HB2 HIS 141 24.977 58.991 39.231 797 HB3 HIS 141 HB3 HIS 141 25.003 60.421 40.245 798 HD1 HIS 141 HD1 HIS 141 26.846 62.318 39.289 799 HD2 HIS 141 HD2 HIS 141 25.239 59.596 36.571 800 HE1 HIS 141 HE1 HIS 141 27.187 63.317 36.989 801 H THR 142 H THR 142 27.945 57.308 41.465 802 HA THR 142 HA THR 142 25.757 56.388 43.024 803 HB THR 142 HB THR 142 27.595 54.903 42.401 804 HG1 THR 142 HG1 THR 142 27.525 55.326 45.150 805 HG21 THR 142 HG21 THR 142 29.803 55.158 43.500 806 HG22 THR 142 HG22 THR 142 29.259 56.677 44.210 807 HG23 THR 142 HG23 THR 142 29.426 56.532 42.461 808 H ASN 143 H ASN 143 25.186 56.761 45.115 809 HA ASN 143 HA ASN 143 26.690 58.862 46.568 810 HB2 ASN 143 HB2 ASN 143 24.592 59.612 47.518 811 HB3 ASN 143 HB3 ASN 143 24.477 59.619 45.763 812 HD21 ASN 143 HD21 ASN 143 22.192 59.444 47.583 813 HD22 ASN 143 HD22 ASN 143 21.444 57.948 47.295 814 H GLY 144 H GLY 144 27.538 58.286 48.443 815 HA2 GLY 144 HA2 GLY 144 27.416 55.706 49.512 816 HA3 GLY 144 HA3 GLY 144 27.958 57.133 50.388 817 H SER 145 H SER 145 25.490 58.583 50.251 818 HA SER 145 HA SER 145 24.187 57.605 52.553 819 HB2 SER 145 HB2 SER 145 23.192 59.568 50.472 820 HB3 SER 145 HB3 SER 145 22.484 59.325 52.065 821 HG SER 145 HG SER 145 24.591 60.767 51.389 822 H GLY 146 H GLY 146 22.037 56.783 52.786 823 HA2 GLY 146 HA2 GLY 146 20.588 55.823 50.480 824 HA3 GLY 146 HA3 GLY 146 21.368 54.540 51.400 825 H SER 147 H SER 147 18.540 56.164 51.029 826 HA SER 147 HA SER 147 17.614 56.581 53.657 827 HB2 SER 147 HB2 SER 147 15.397 56.608 52.688 828 HB3 SER 147 HB3 SER 147 16.507 57.425 51.594 829 HG SER 147 HG SER 147 15.087 55.193 51.220 830 H GLU 148 H GLU 148 17.910 53.642 51.762 831 HA GLU 148 HA GLU 148 16.055 52.008 53.068 832 HB2 GLU 148 HB2 GLU 148 18.737 51.290 51.865 833 HB3 GLU 148 HB3 GLU 148 17.489 50.126 52.315 834 HG2 GLU 148 HG2 GLU 148 15.904 51.273 50.779 835 HG3 GLU 148 HG3 GLU 148 17.198 52.357 50.286 836 H ASN 149 H ASN 149 19.310 52.974 54.040 837 HA ASN 149 HA ASN 149 19.466 51.069 56.198 838 HB2 ASN 149 HB2 ASN 149 21.442 52.105 54.976 839 HB3 ASN 149 HB3 ASN 149 21.107 53.584 55.875 840 HD21 ASN 149 HD21 ASN 149 23.184 53.346 57.032 841 HD22 ASN 149 HD22 ASN 149 23.350 52.195 58.267 842 H LEU 150 H LEU 150 18.237 51.233 57.949 843 HA LEU 150 HA LEU 150 16.758 53.485 58.722 844 HB2 LEU 150 HB2 LEU 150 16.299 51.141 59.439 845 HB3 LEU 150 HB3 LEU 150 17.699 51.230 60.507 846 HG LEU 150 HG LEU 150 16.630 53.273 61.568 847 HD11 LEU 150 HD11 LEU 150 14.363 52.336 59.796 848 HD12 LEU 150 HD12 LEU 150 15.072 53.950 59.886 849 HD13 LEU 150 HD13 LEU 150 14.098 53.338 61.224 850 HD21 LEU 150 HD21 LEU 150 15.217 50.593 61.669 851 HD22 LEU 150 HD22 LEU 150 14.934 51.892 62.828 852 HD23 LEU 150 HD23 LEU 150 16.527 51.144 62.713 853 H TYR 151 H TYR 151 19.984 52.402 59.695 854 HA TYR 151 HA TYR 151 20.357 54.124 61.881 855 HB2 TYR 151 HB2 TYR 151 22.383 53.050 59.918 856 HB3 TYR 151 HB3 TYR 151 22.775 53.816 61.446 857 HD1 TYR 151 HD2 TYR 151 22.062 52.711 63.599 858 HD2 TYR 151 HD1 TYR 151 21.739 50.768 59.782 859 HE1 TYR 151 HE2 TYR 151 21.859 50.516 64.734 860 HE2 TYR 151 HE1 TYR 151 21.535 48.572 60.917 861 HH TYR 151 HH TYR 151 21.067 47.644 63.011 862 H PHE 152 H PHE 152 20.813 54.654 58.410 863 HA PHE 152 HA PHE 152 22.192 57.086 58.505 864 HB2 PHE 152 HB2 PHE 152 21.782 55.764 56.450 865 HB3 PHE 152 HB3 PHE 152 20.093 56.235 56.506 866 HD1 PHE 152 HD1 PHE 152 23.555 57.432 55.984 867 HD2 PHE 152 HD2 PHE 152 19.380 58.421 55.789 868 HE1 PHE 152 HE1 PHE 152 24.101 59.487 54.706 869 HE2 PHE 152 HE2 PHE 152 19.926 60.475 54.511 870 HZ PHE 152 HZ PHE 152 22.286 61.008 53.971 871 H GLN 153 H GLN 153 18.713 56.413 58.654 872 HA GLN 153 HA GLN 153 17.886 59.136 58.648 873 HB2 GLN 153 HB2 GLN 153 16.508 56.642 59.672 874 HB3 GLN 153 HB3 GLN 153 15.733 58.220 59.512 875 HG2 GLN 153 HG2 GLN 153 16.175 58.231 57.108 876 HG3 GLN 153 HG3 GLN 153 17.041 56.702 57.237 877 HE21 GLN 153 HE21 GLN 153 14.745 56.987 55.546 878 HE22 GLN 153 HE22 GLN 153 13.495 56.032 56.183 Start of MODEL 9 1 H1 MET 39 HT1 MET 39 24.753 12.303 28.985 2 H2 MET 39 HT2 MET 39 23.475 11.657 29.898 3 H3 MET 39 HT3 MET 39 24.762 12.446 30.675 4 HA MET 39 HA MET 39 23.135 14.056 30.710 5 HB2 MET 39 HB2 MET 39 24.680 14.434 28.126 6 HB3 MET 39 HB3 MET 39 23.807 15.709 28.978 7 HG2 MET 39 HG2 MET 39 25.222 15.229 31.003 8 HG3 MET 39 HG3 MET 39 26.173 14.122 30.011 9 HE1 MET 39 HE1 MET 39 25.884 18.667 29.833 10 HE2 MET 39 HE2 MET 39 24.999 17.525 30.842 11 HE3 MET 39 HE3 MET 39 24.544 17.735 29.152 12 H ASN 40 H ASN 40 21.162 12.842 30.434 13 HA ASN 40 HA ASN 40 20.049 12.859 27.698 14 HB2 ASN 40 HB2 ASN 40 19.123 11.407 30.188 15 HB3 ASN 40 HB3 ASN 40 18.360 11.304 28.602 16 HD21 ASN 40 HD21 ASN 40 19.878 9.214 30.286 17 HD22 ASN 40 HD22 ASN 40 21.040 8.598 29.214 18 H GLY 41 H GLY 41 18.761 14.500 27.202 19 HA2 GLY 41 HA2 GLY 41 17.837 16.445 29.002 20 HA3 GLY 41 HA3 GLY 41 17.223 16.201 27.371 21 H GLU 42 H GLU 42 16.295 13.507 27.775 22 HA GLU 42 HA GLU 42 13.787 14.152 29.112 23 HB2 GLU 42 HB2 GLU 42 14.617 11.762 27.462 24 HB3 GLU 42 HB3 GLU 42 13.000 12.024 28.116 25 HG2 GLU 42 HG2 GLU 42 12.890 14.189 26.890 26 HG3 GLU 42 HG3 GLU 42 14.462 13.843 26.182 27 H ASN 43 H ASN 43 16.448 13.330 30.563 28 HA ASN 43 HA ASN 43 16.125 10.863 31.816 29 HB2 ASN 43 HB2 ASN 43 18.096 12.438 32.002 30 HB3 ASN 43 HB3 ASN 43 17.156 13.355 33.173 31 HD21 ASN 43 HD21 ASN 43 19.503 12.289 34.119 32 HD22 ASN 43 HD22 ASN 43 19.201 10.948 35.114 33 H TYR 44 H TYR 44 14.653 13.989 32.576 34 HA TYR 44 HA TYR 44 13.469 13.296 35.028 35 HB2 TYR 44 HB2 TYR 44 12.050 15.204 34.709 36 HB3 TYR 44 HB3 TYR 44 13.662 15.595 34.146 37 HD1 TYR 44 HD2 TYR 44 14.126 15.775 31.708 38 HD2 TYR 44 HD1 TYR 44 10.159 15.152 33.232 39 HE1 TYR 44 HE2 TYR 44 13.178 16.464 29.522 40 HE2 TYR 44 HE1 TYR 44 9.211 15.840 31.046 41 HH TYR 44 HH TYR 44 10.725 17.468 28.840 42 H PHE 45 H PHE 45 12.406 12.739 31.705 43 HA PHE 45 HA PHE 45 9.862 11.631 32.658 44 HB2 PHE 45 HB2 PHE 45 10.197 13.161 30.583 45 HB3 PHE 45 HB3 PHE 45 10.771 11.702 29.799 46 HD1 PHE 45 HD1 PHE 45 7.879 13.001 31.791 47 HD2 PHE 45 HD2 PHE 45 9.228 10.299 28.736 48 HE1 PHE 45 HE1 PHE 45 5.529 12.370 31.313 49 HE2 PHE 45 HE2 PHE 45 6.878 9.666 28.260 50 HZ PHE 45 HZ PHE 45 5.029 10.701 29.548 51 H LYS 46 H LYS 46 9.549 9.510 32.924 52 HA LYS 46 HA LYS 46 11.737 7.744 32.953 53 HB2 LYS 46 HB2 LYS 46 8.768 7.189 33.057 54 HB3 LYS 46 HB3 LYS 46 10.021 5.993 33.395 55 HG2 LYS 46 HG2 LYS 46 10.866 7.319 35.245 56 HG3 LYS 46 HG3 LYS 46 9.752 8.632 34.861 57 HD2 LYS 46 HD2 LYS 46 8.785 7.394 36.685 58 HD3 LYS 46 HD3 LYS 46 7.850 7.010 35.240 59 HE2 LYS 46 HE2 LYS 46 8.389 4.978 36.560 60 HE3 LYS 46 HE3 LYS 46 9.105 4.924 34.950 61 HZ1 LYS 46 HZ1 LYS 46 10.452 4.530 37.245 62 HZ2 LYS 46 HZ2 LYS 46 10.766 6.173 36.949 63 HZ3 LYS 46 HZ3 LYS 46 11.163 5.005 35.780 64 H LEU 47 H LEU 47 9.048 8.039 30.628 65 HA LEU 47 HA LEU 47 9.677 5.701 29.171 66 HB2 LEU 47 HB2 LEU 47 8.267 8.199 28.204 67 HB3 LEU 47 HB3 LEU 47 8.220 6.617 27.429 68 HG LEU 47 HG LEU 47 7.262 7.181 30.252 69 HD11 LEU 47 HD11 LEU 47 5.874 7.074 27.585 70 HD12 LEU 47 HD12 LEU 47 5.644 8.214 28.912 71 HD13 LEU 47 HD13 LEU 47 5.013 6.573 29.041 72 HD21 LEU 47 HD21 LEU 47 7.836 4.900 30.187 73 HD22 LEU 47 HD22 LEU 47 7.379 4.736 28.492 74 HD23 LEU 47 HD23 LEU 47 6.133 4.878 29.732 75 H GLY 48 H GLY 48 10.568 9.108 28.633 76 HA2 GLY 48 HA2 GLY 48 12.178 10.068 27.296 77 HA3 GLY 48 HA3 GLY 48 13.115 8.617 27.635 78 H SER 49 H SER 49 10.068 8.988 25.832 79 HA SER 49 HA SER 49 10.747 7.078 23.891 80 HB2 SER 49 HB2 SER 49 8.768 9.359 23.697 81 HB3 SER 49 HB3 SER 49 8.830 7.967 22.622 82 HG SER 49 HG SER 49 7.411 7.894 24.539 83 H ASP 50 H ASP 50 11.971 7.139 22.136 84 HA ASP 50 HA ASP 50 13.511 9.400 21.396 85 HB2 ASP 50 HB2 ASP 50 14.154 7.021 20.991 86 HB3 ASP 50 HB3 ASP 50 12.924 6.946 19.730 87 H SER 51 H SER 51 10.441 8.125 20.235 88 HA SER 51 HA SER 51 10.253 9.316 17.744 89 HB2 SER 51 HB2 SER 51 8.609 7.714 18.704 90 HB3 SER 51 HB3 SER 51 8.003 9.002 19.739 91 HG SER 51 HG SER 51 6.925 8.718 17.687 92 H LYS 52 H LYS 52 9.850 10.805 20.913 93 HA LYS 52 HA LYS 52 8.485 13.131 20.160 94 HB2 LYS 52 HB2 LYS 52 10.560 12.727 22.326 95 HB3 LYS 52 HB3 LYS 52 9.520 14.146 22.184 96 HG2 LYS 52 HG2 LYS 52 7.525 12.653 22.313 97 HG3 LYS 52 HG3 LYS 52 8.605 11.282 22.577 98 HD2 LYS 52 HD2 LYS 52 9.526 12.445 24.585 99 HD3 LYS 52 HD3 LYS 52 8.332 13.723 24.354 100 HE2 LYS 52 HE2 LYS 52 6.508 12.175 24.684 101 HE3 LYS 52 HE3 LYS 52 7.612 10.801 24.693 102 HZ1 LYS 52 HZ1 LYS 52 7.987 12.982 26.627 103 HZ2 LYS 52 HZ2 LYS 52 8.429 11.348 26.751 104 HZ3 LYS 52 HZ3 LYS 52 6.802 11.805 26.918 105 H LEU 53 H LEU 53 9.023 14.701 18.819 106 HA LEU 53 HA LEU 53 11.520 14.923 17.535 107 HB2 LEU 53 HB2 LEU 53 9.367 17.028 17.841 108 HB3 LEU 53 HB3 LEU 53 10.660 17.035 16.643 109 HG LEU 53 HG LEU 53 8.556 14.865 16.894 110 HD11 LEU 53 HD11 LEU 53 7.413 16.771 16.076 111 HD12 LEU 53 HD12 LEU 53 7.873 15.889 14.620 112 HD13 LEU 53 HD13 LEU 53 8.801 17.300 15.126 113 HD21 LEU 53 HD21 LEU 53 9.499 14.430 14.499 114 HD22 LEU 53 HD22 LEU 53 10.437 13.869 15.883 115 HD23 LEU 53 HD23 LEU 53 10.894 15.357 15.054 116 H LEU 54 H LEU 54 10.272 16.437 20.456 117 HA LEU 54 HA LEU 54 12.009 18.591 20.722 118 HB2 LEU 54 HB2 LEU 54 10.960 16.797 22.923 119 HB3 LEU 54 HB3 LEU 54 11.598 18.426 23.134 120 HG LEU 54 HG LEU 54 9.189 17.727 21.427 121 HD11 LEU 54 HD11 LEU 54 9.416 18.942 24.196 122 HD12 LEU 54 HD12 LEU 54 8.675 17.396 23.784 123 HD13 LEU 54 HD13 LEU 54 7.931 18.901 23.247 124 HD21 LEU 54 HD21 LEU 54 10.085 19.719 20.545 125 HD22 LEU 54 HD22 LEU 54 10.632 20.282 22.125 126 HD23 LEU 54 HD23 LEU 54 8.913 20.305 21.727 127 H THR 55 H THR 55 12.634 15.170 21.256 128 HA THR 55 HA THR 55 14.889 15.260 22.870 129 HB THR 55 HB THR 55 14.462 13.385 20.535 130 HG1 THR 55 HG1 THR 55 13.098 12.392 21.801 131 HG21 THR 55 HG21 THR 55 16.685 13.222 21.528 132 HG22 THR 55 HG22 THR 55 15.728 11.819 22.003 133 HG23 THR 55 HG23 THR 55 15.985 13.138 23.145 134 H HIS 56 H HIS 56 14.637 15.748 19.373 135 HA HIS 56 HA HIS 56 17.492 16.555 19.333 136 HB2 HIS 56 HB2 HIS 56 17.008 14.528 18.007 137 HB3 HIS 56 HB3 HIS 56 15.820 15.429 17.084 138 HD1 HIS 56 HD1 HIS 56 19.532 15.761 17.932 139 HD2 HIS 56 HD2 HIS 56 16.906 16.433 14.766 140 HE1 HIS 56 HE1 HIS 56 20.944 16.560 15.989 141 H ASN 57 H ASN 57 17.914 18.594 18.786 142 HA ASN 57 HA ASN 57 15.708 20.259 17.745 143 HB2 ASN 57 HB2 ASN 57 16.903 20.847 19.929 144 HB3 ASN 57 HB3 ASN 57 18.301 21.243 18.934 145 HD21 ASN 57 HD21 ASN 57 16.882 23.217 20.498 146 HD22 ASN 57 HD22 ASN 57 16.163 24.312 19.418 147 H SER 58 H SER 58 15.776 20.851 15.679 148 HA SER 58 HA SER 58 17.825 20.053 13.922 149 HB2 SER 58 HB2 SER 58 16.629 21.309 12.231 150 HB3 SER 58 HB3 SER 58 15.464 20.494 13.268 151 HG SER 58 HG SER 58 15.179 22.444 14.307 152 H TYR 59 H TYR 59 17.261 23.114 15.602 153 HA TYR 59 HA TYR 59 19.834 24.107 14.505 154 HB2 TYR 59 HB2 TYR 59 17.378 25.694 15.256 155 HB3 TYR 59 HB3 TYR 59 18.915 26.380 14.767 156 HD1 TYR 59 HD2 TYR 59 19.765 25.940 12.421 157 HD2 TYR 59 HD1 TYR 59 15.778 24.950 13.675 158 HE1 TYR 59 HE2 TYR 59 19.053 25.806 10.049 159 HE2 TYR 59 HE1 TYR 59 15.066 24.817 11.302 160 HH TYR 59 HH TYR 59 17.354 25.131 8.696 161 H GLN 60 H GLN 60 21.342 24.139 16.014 162 HA GLN 60 HA GLN 60 20.845 24.010 18.806 163 HB2 GLN 60 HB2 GLN 60 23.336 24.765 17.266 164 HB3 GLN 60 HB3 GLN 60 23.286 24.480 19.006 165 HG2 GLN 60 HG2 GLN 60 22.507 22.192 18.645 166 HG3 GLN 60 HG3 GLN 60 22.449 22.463 16.904 167 HE21 GLN 60 HE21 GLN 60 24.069 20.395 18.046 168 HE22 GLN 60 HE22 GLN 60 25.699 20.795 17.792 169 H ASN 61 H ASN 61 21.459 26.685 16.595 170 HA ASN 61 HA ASN 61 22.184 28.679 18.390 171 HB2 ASN 61 HB2 ASN 61 22.150 28.805 15.861 172 HB3 ASN 61 HB3 ASN 61 20.421 29.122 15.981 173 HD21 ASN 61 HD21 ASN 61 20.808 31.316 15.091 174 HD22 ASN 61 HD22 ASN 61 21.456 32.532 16.081 175 H ARG 62 H ARG 62 18.962 27.481 17.562 176 HA ARG 62 HA ARG 62 17.815 29.303 19.607 177 HB2 ARG 62 HB2 ARG 62 16.480 28.105 17.165 178 HB3 ARG 62 HB3 ARG 62 15.710 29.161 18.349 179 HG2 ARG 62 HG2 ARG 62 17.354 30.940 17.809 180 HG3 ARG 62 HG3 ARG 62 18.067 29.889 16.585 181 HD2 ARG 62 HD2 ARG 62 16.543 31.347 15.441 182 HD3 ARG 62 HD3 ARG 62 15.784 29.758 15.506 183 HE ARG 62 HE ARG 62 14.795 30.936 17.719 184 HH11 ARG 62 HH11 ARG 62 14.993 32.085 14.407 185 HH12 ARG 62 HH12 ARG 62 13.597 33.097 14.569 186 HH21 ARG 62 HH21 ARG 62 13.006 32.264 17.868 187 HH22 ARG 62 HH22 ARG 62 12.487 33.195 16.503 188 H LEU 63 H LEU 63 16.488 28.431 21.162 189 HA LEU 63 HA LEU 63 16.394 25.476 21.269 190 HB2 LEU 63 HB2 LEU 63 16.121 27.483 23.519 191 HB3 LEU 63 HB3 LEU 63 16.158 25.728 23.686 192 HG LEU 63 HG LEU 63 18.407 27.399 22.522 193 HD11 LEU 63 HD11 LEU 63 19.578 26.929 24.620 194 HD12 LEU 63 HD12 LEU 63 18.191 26.016 25.214 195 HD13 LEU 63 HD13 LEU 63 18.059 27.756 24.963 196 HD21 LEU 63 HD21 LEU 63 19.606 25.129 23.058 197 HD22 LEU 63 HD22 LEU 63 18.641 25.257 21.588 198 HD23 LEU 63 HD23 LEU 63 17.976 24.458 23.013 199 H PHE 64 H PHE 64 14.482 24.459 21.229 200 HA PHE 64 HA PHE 64 12.044 26.090 21.148 201 HB2 PHE 64 HB2 PHE 64 12.543 23.194 20.455 202 HB3 PHE 64 HB3 PHE 64 10.985 23.992 20.339 203 HD1 PHE 64 HD2 PHE 64 10.625 25.792 18.654 204 HD2 PHE 64 HD1 PHE 64 14.262 23.512 18.815 205 HE1 PHE 64 HE2 PHE 64 11.202 26.554 16.366 206 HE2 PHE 64 HE1 PHE 64 14.840 24.274 16.526 207 HZ PHE 64 HZ PHE 64 13.310 25.795 15.302 208 H TYR 65 H TYR 65 10.598 26.125 22.773 209 HA TYR 65 HA TYR 65 10.712 23.966 24.808 210 HB2 TYR 65 HB2 TYR 65 11.478 26.250 25.589 211 HB3 TYR 65 HB3 TYR 65 9.846 26.818 25.290 212 HD1 TYR 65 HD2 TYR 65 11.951 24.596 27.358 213 HD2 TYR 65 HD1 TYR 65 8.028 26.253 26.790 214 HE1 TYR 65 HE2 TYR 65 11.290 23.802 29.612 215 HE2 TYR 65 HE1 TYR 65 7.367 25.458 29.045 216 HH TYR 65 HH TYR 65 8.196 24.592 30.994 217 H THR 66 H THR 66 8.740 23.125 25.489 218 HA THR 66 HA THR 66 6.450 23.822 23.748 219 HB THR 66 HB THR 66 6.932 21.266 25.294 220 HG1 THR 66 HG1 THR 66 7.227 21.713 22.570 221 HG21 THR 66 HG21 THR 66 4.912 22.142 23.221 222 HG22 THR 66 HG22 THR 66 4.598 21.556 24.854 223 HG23 THR 66 HG23 THR 66 5.197 20.448 23.619 224 H LEU 67 H LEU 67 4.476 24.279 24.592 225 HA LEU 67 HA LEU 67 4.354 25.009 27.397 226 HB2 LEU 67 HB2 LEU 67 2.385 25.241 25.112 227 HB3 LEU 67 HB3 LEU 67 2.055 25.815 26.744 228 HG LEU 67 HG LEU 67 4.449 26.699 25.110 229 HD11 LEU 67 HD11 LEU 67 2.988 28.888 25.094 230 HD12 LEU 67 HD12 LEU 67 1.646 27.766 25.320 231 HD13 LEU 67 HD13 LEU 67 2.680 27.630 23.898 232 HD21 LEU 67 HD21 LEU 67 4.151 28.637 26.868 233 HD22 LEU 67 HD22 LEU 67 4.946 27.140 27.355 234 HD23 LEU 67 HD23 LEU 67 3.257 27.418 27.777 235 H LYS 68 H LYS 68 3.484 23.832 28.971 236 HA LYS 68 HA LYS 68 1.734 21.549 28.263 237 HB2 LYS 68 HB2 LYS 68 4.040 20.821 28.897 238 HB3 LYS 68 HB3 LYS 68 3.805 21.585 30.470 239 HG2 LYS 68 HG2 LYS 68 1.804 20.152 30.838 240 HG3 LYS 68 HG3 LYS 68 2.129 19.343 29.304 241 HD2 LYS 68 HD2 LYS 68 4.398 18.724 30.175 242 HD3 LYS 68 HD3 LYS 68 3.934 19.398 31.739 243 HE2 LYS 68 HE2 LYS 68 2.316 17.254 30.348 244 HE3 LYS 68 HE3 LYS 68 3.609 16.881 31.487 245 HZ1 LYS 68 HZ1 LYS 68 2.348 18.548 32.988 246 HZ2 LYS 68 HZ2 LYS 68 1.779 16.954 32.845 247 HZ3 LYS 68 HZ3 LYS 68 1.030 18.206 31.975 248 H THR 69 H THR 69 0.015 21.154 29.628 249 HA THR 69 HA THR 69 -1.217 23.301 30.875 250 HB THR 69 HB THR 69 -2.438 21.297 30.210 251 HG1 THR 69 HG1 THR 69 -3.579 22.196 31.732 252 HG21 THR 69 HG21 THR 69 -2.229 19.211 31.430 253 HG22 THR 69 HG22 THR 69 -1.078 19.938 32.551 254 HG23 THR 69 HG23 THR 69 -0.629 19.689 30.864 255 H GLY 70 H GLY 70 -1.217 24.186 32.858 256 HA2 GLY 70 HA2 GLY 70 -0.943 24.008 35.265 257 HA3 GLY 70 HA3 GLY 70 0.394 22.902 34.983 258 H GLU 71 H GLU 71 1.462 24.636 32.769 259 HA GLU 71 HA GLU 71 2.645 26.749 34.477 260 HB2 GLU 71 HB2 GLU 71 4.178 24.937 33.612 261 HB3 GLU 71 HB3 GLU 71 3.843 25.528 31.984 262 HG2 GLU 71 HG2 GLU 71 4.620 27.788 32.675 263 HG3 GLU 71 HG3 GLU 71 5.031 27.140 34.257 264 H THR 72 H THR 72 2.811 28.834 33.675 265 HA THR 72 HA THR 72 1.251 29.385 31.214 266 HB THR 72 HB THR 72 0.676 31.536 32.194 267 HG1 THR 72 HG1 THR 72 1.873 30.769 34.554 268 HG21 THR 72 HG21 THR 72 0.214 29.201 34.068 269 HG22 THR 72 HG22 THR 72 -0.811 29.680 32.716 270 HG23 THR 72 HG23 THR 72 -0.672 30.724 34.130 271 H VAL 73 H VAL 73 1.885 31.375 30.060 272 HA VAL 73 HA VAL 73 4.573 31.292 29.274 273 HB VAL 73 HB VAL 73 2.611 33.582 28.970 274 HG11 VAL 73 HG11 VAL 73 4.012 34.030 26.909 275 HG12 VAL 73 HG12 VAL 73 5.182 32.868 27.534 276 HG13 VAL 73 HG13 VAL 73 4.836 34.342 28.437 277 HG21 VAL 73 HG21 VAL 73 2.255 32.520 26.705 278 HG22 VAL 73 HG22 VAL 73 1.649 31.564 28.057 279 HG23 VAL 73 HG23 VAL 73 3.172 31.128 27.281 280 H ALA 74 H ALA 74 2.900 33.436 31.558 281 HA ALA 74 HA ALA 74 5.023 35.219 32.019 282 HB1 ALA 74 HB1 ALA 74 3.709 36.105 33.668 283 HB2 ALA 74 HB2 ALA 74 3.242 34.525 34.301 284 HB3 ALA 74 HB3 ALA 74 2.477 35.153 32.841 285 H ASP 75 H ASP 75 4.242 32.092 33.509 286 HA ASP 75 HA ASP 75 6.130 32.194 35.599 287 HB2 ASP 75 HB2 ASP 75 5.004 29.833 34.080 288 HB3 ASP 75 HB3 ASP 75 5.986 29.692 35.533 289 H LEU 76 H LEU 76 6.380 30.951 32.279 290 HA LEU 76 HA LEU 76 9.003 29.969 32.415 291 HB2 LEU 76 HB2 LEU 76 7.433 31.155 30.121 292 HB3 LEU 76 HB3 LEU 76 9.033 30.441 29.921 293 HG LEU 76 HG LEU 76 6.849 28.904 31.310 294 HD11 LEU 76 HD11 LEU 76 6.220 29.816 28.933 295 HD12 LEU 76 HD12 LEU 76 5.968 28.107 29.290 296 HD13 LEU 76 HD13 LEU 76 7.380 28.616 28.363 297 HD21 LEU 76 HD21 LEU 76 8.181 27.006 30.643 298 HD22 LEU 76 HD22 LEU 76 9.289 28.200 31.319 299 HD23 LEU 76 HD23 LEU 76 9.164 28.004 29.572 300 H SER 77 H SER 77 7.795 33.198 31.626 301 HA SER 77 HA SER 77 10.238 34.364 30.878 302 HB2 SER 77 HB2 SER 77 7.920 35.326 30.557 303 HB3 SER 77 HB3 SER 77 7.954 35.782 32.256 304 HG SER 77 HG SER 77 9.149 37.376 31.653 305 H LYS 78 H LYS 78 8.668 34.125 34.048 306 HA LYS 78 HA LYS 78 10.465 35.780 35.454 307 HB2 LYS 78 HB2 LYS 78 8.240 35.048 36.297 308 HB3 LYS 78 HB3 LYS 78 8.896 33.428 36.531 309 HG2 LYS 78 HG2 LYS 78 10.554 34.286 38.107 310 HG3 LYS 78 HG3 LYS 78 10.002 35.937 37.825 311 HD2 LYS 78 HD2 LYS 78 8.973 35.162 39.869 312 HD3 LYS 78 HD3 LYS 78 7.720 35.231 38.631 313 HE2 LYS 78 HE2 LYS 78 7.697 32.888 38.349 314 HE3 LYS 78 HE3 LYS 78 9.264 32.691 39.134 315 HZ1 LYS 78 HZ1 LYS 78 7.117 32.153 40.434 316 HZ2 LYS 78 HZ2 LYS 78 7.005 33.836 40.631 317 HZ3 LYS 78 HZ3 LYS 78 8.365 32.999 41.212 318 H SER 79 H SER 79 10.431 32.257 34.976 319 HA SER 79 HA SER 79 12.616 31.666 36.649 320 HB2 SER 79 HB2 SER 79 10.994 29.993 35.737 321 HB3 SER 79 HB3 SER 79 11.767 30.162 34.165 322 HG SER 79 HG SER 79 12.529 28.698 36.190 323 H GLN 80 H GLN 80 12.472 32.370 33.175 324 HA GLN 80 HA GLN 80 15.307 32.017 32.817 325 HB2 GLN 80 HB2 GLN 80 13.177 33.151 31.001 326 HB3 GLN 80 HB3 GLN 80 14.849 32.855 30.522 327 HG2 GLN 80 HG2 GLN 80 14.614 30.478 31.040 328 HG3 GLN 80 HG3 GLN 80 12.972 30.744 31.620 329 HE21 GLN 80 HE21 GLN 80 13.507 28.929 29.484 330 HE22 GLN 80 HE22 GLN 80 12.837 29.563 28.059 331 H ASP 81 H ASP 81 13.626 34.561 34.217 332 HA ASP 81 HA ASP 81 14.165 36.744 34.680 333 HB2 ASP 81 HB2 ASP 81 16.299 35.625 35.374 334 HB3 ASP 81 HB3 ASP 81 16.940 35.959 33.767 335 H ILE 82 H ILE 82 13.014 36.266 32.207 336 HA ILE 82 HA ILE 82 14.366 38.224 30.440 337 HB ILE 82 HB ILE 82 12.456 36.002 29.657 338 HG12 ILE 82 HG12 ILE 82 15.438 36.249 29.153 339 HG13 ILE 82 HG13 ILE 82 14.734 35.240 30.417 340 HG21 ILE 82 HG21 ILE 82 12.356 37.979 28.182 341 HG22 ILE 82 HG22 ILE 82 13.121 36.622 27.356 342 HG23 ILE 82 HG23 ILE 82 14.109 37.934 27.998 343 HD11 ILE 82 HD11 ILE 82 13.337 34.156 28.556 344 HD12 ILE 82 HD12 ILE 82 15.059 33.774 28.572 345 HD13 ILE 82 HD13 ILE 82 14.429 34.956 27.424 346 H ASN 83 H ASN 83 13.062 39.809 29.451 347 HA ASN 83 HA ASN 83 10.727 40.542 31.015 348 HB2 ASN 83 HB2 ASN 83 12.109 41.908 28.695 349 HB3 ASN 83 HB3 ASN 83 10.762 42.591 29.601 350 HD21 ASN 83 HD21 ASN 83 13.423 43.780 29.484 351 HD22 ASN 83 HD22 ASN 83 14.052 43.752 31.060 352 H LEU 84 H LEU 84 8.631 40.486 30.363 353 HA LEU 84 HA LEU 84 7.810 38.677 28.397 354 HB2 LEU 84 HB2 LEU 84 6.276 41.012 29.565 355 HB3 LEU 84 HB3 LEU 84 5.563 39.666 28.677 356 HG LEU 84 HG LEU 84 7.190 39.356 31.217 357 HD11 LEU 84 HD11 LEU 84 4.241 39.659 30.704 358 HD12 LEU 84 HD12 LEU 84 5.225 40.381 31.976 359 HD13 LEU 84 HD13 LEU 84 4.799 38.671 32.054 360 HD21 LEU 84 HD21 LEU 84 7.274 37.340 29.921 361 HD22 LEU 84 HD22 LEU 84 5.569 37.469 29.489 362 HD23 LEU 84 HD23 LEU 84 6.032 37.077 31.145 363 H SER 85 H SER 85 8.344 42.171 28.190 364 HA SER 85 HA SER 85 7.141 42.620 25.689 365 HB2 SER 85 HB2 SER 85 7.959 44.400 27.254 366 HB3 SER 85 HB3 SER 85 9.605 43.993 26.783 367 HG SER 85 HG SER 85 8.670 45.666 25.533 368 H THR 86 H THR 86 10.441 41.626 26.544 369 HA THR 86 HA THR 86 11.512 41.676 23.934 370 HB THR 86 HB THR 86 12.307 39.845 26.210 371 HG1 THR 86 HG1 THR 86 13.102 41.564 27.053 372 HG21 THR 86 HG21 THR 86 13.260 39.323 23.963 373 HG22 THR 86 HG22 THR 86 14.487 39.844 25.119 374 HG23 THR 86 HG23 THR 86 13.902 40.964 23.888 375 H ILE 87 H ILE 87 9.930 39.087 25.776 376 HA ILE 87 HA ILE 87 10.357 36.989 23.967 377 HB ILE 87 HB ILE 87 7.968 37.418 25.785 378 HG12 ILE 87 HG12 ILE 87 10.549 35.907 26.295 379 HG13 ILE 87 HG13 ILE 87 10.221 37.528 26.905 380 HG21 ILE 87 HG21 ILE 87 7.783 34.964 25.710 381 HG22 ILE 87 HG22 ILE 87 9.155 34.886 24.604 382 HG23 ILE 87 HG23 ILE 87 7.647 35.639 24.086 383 HD11 ILE 87 HD11 ILE 87 8.858 34.940 27.626 384 HD12 ILE 87 HD12 ILE 87 8.054 36.487 27.886 385 HD13 ILE 87 HD13 ILE 87 9.582 36.141 28.697 386 H TRP 88 H TRP 88 7.694 39.324 24.195 387 HA TRP 88 HA TRP 88 6.134 38.332 22.087 388 HB2 TRP 88 HB2 TRP 88 5.347 40.015 23.690 389 HB3 TRP 88 HB3 TRP 88 6.457 41.188 23.006 390 HD1 TRP 88 HD1 TRP 88 3.715 38.855 21.562 391 HE1 TRP 88 HE1 TRP 88 2.295 40.231 19.910 392 HE3 TRP 88 HE3 TRP 88 6.086 43.365 21.904 393 HZ2 TRP 88 HZ2 TRP 88 2.178 42.896 18.868 394 HZ3 TRP 88 HZ3 TRP 88 5.303 45.299 20.575 395 HH2 TRP 88 HH2 TRP 88 3.356 45.075 19.058 396 H SER 89 H SER 89 8.714 40.802 22.031 397 HA SER 89 HA SER 89 8.447 41.604 19.388 398 HB2 SER 89 HB2 SER 89 10.706 42.427 19.541 399 HB3 SER 89 HB3 SER 89 9.938 42.645 21.110 400 HG SER 89 HG SER 89 11.978 41.665 21.262 401 H LEU 90 H LEU 90 10.242 38.829 20.690 402 HA LEU 90 HA LEU 90 11.359 38.066 18.174 403 HB2 LEU 90 HB2 LEU 90 10.912 36.446 20.692 404 HB3 LEU 90 HB3 LEU 90 11.917 35.955 19.327 405 HG LEU 90 HG LEU 90 12.349 38.505 20.906 406 HD11 LEU 90 HD11 LEU 90 14.123 36.081 21.048 407 HD12 LEU 90 HD12 LEU 90 12.694 36.179 22.077 408 HD13 LEU 90 HD13 LEU 90 13.956 37.405 22.201 409 HD21 LEU 90 HD21 LEU 90 13.883 37.042 18.746 410 HD22 LEU 90 HD22 LEU 90 14.631 38.269 19.770 411 HD23 LEU 90 HD23 LEU 90 13.287 38.702 18.714 412 H ASN 91 H ASN 91 8.633 36.736 20.070 413 HA ASN 91 HA ASN 91 7.989 34.917 17.896 414 HB2 ASN 91 HB2 ASN 91 6.760 35.302 20.625 415 HB3 ASN 91 HB3 ASN 91 6.266 34.064 19.471 416 HD21 ASN 91 HD21 ASN 91 9.327 35.280 20.974 417 HD22 ASN 91 HD22 ASN 91 10.012 33.734 21.141 418 H LYS 92 H LYS 92 7.268 38.085 18.200 419 HA LYS 92 HA LYS 92 4.559 38.387 17.928 420 HB2 LYS 92 HB2 LYS 92 5.014 40.437 16.739 421 HB3 LYS 92 HB3 LYS 92 6.224 40.224 17.999 422 HG2 LYS 92 HG2 LYS 92 7.777 39.271 16.280 423 HG3 LYS 92 HG3 LYS 92 6.576 39.646 15.043 424 HD2 LYS 92 HD2 LYS 92 6.649 42.053 15.883 425 HD3 LYS 92 HD3 LYS 92 8.073 41.587 16.814 426 HE2 LYS 92 HE2 LYS 92 8.848 42.501 14.720 427 HE3 LYS 92 HE3 LYS 92 9.105 40.757 14.667 428 HZ1 LYS 92 HZ1 LYS 92 6.560 41.824 13.681 429 HZ2 LYS 92 HZ2 LYS 92 7.433 40.457 13.172 430 HZ3 LYS 92 HZ3 LYS 92 7.938 42.012 12.707 431 H HIS 93 H HIS 93 6.752 36.994 15.570 432 HA HIS 93 HA HIS 93 4.918 37.187 13.376 433 HB2 HIS 93 HB2 HIS 93 6.469 35.881 12.148 434 HB3 HIS 93 HB3 HIS 93 7.388 36.996 13.135 435 HD1 HIS 93 HD1 HIS 93 8.726 35.933 15.181 436 HD2 HIS 93 HD2 HIS 93 6.928 33.168 12.626 437 HE1 HIS 93 HE1 HIS 93 9.806 33.702 15.666 438 H LEU 94 H LEU 94 5.610 34.740 15.828 439 HA LEU 94 HA LEU 94 4.082 32.664 14.596 440 HB2 LEU 94 HB2 LEU 94 4.856 33.020 17.501 441 HB3 LEU 94 HB3 LEU 94 4.265 31.531 16.764 442 HG LEU 94 HG LEU 94 6.778 32.991 15.910 443 HD11 LEU 94 HD11 LEU 94 7.781 30.787 16.905 444 HD12 LEU 94 HD12 LEU 94 6.267 30.712 17.806 445 HD13 LEU 94 HD13 LEU 94 7.341 32.097 18.002 446 HD21 LEU 94 HD21 LEU 94 7.182 30.750 14.761 447 HD22 LEU 94 HD22 LEU 94 5.887 31.727 14.069 448 HD23 LEU 94 HD23 LEU 94 5.499 30.362 15.116 449 H TYR 95 H TYR 95 3.355 35.099 17.070 450 HA TYR 95 HA TYR 95 0.529 34.211 17.051 451 HB2 TYR 95 HB2 TYR 95 2.055 35.764 19.141 452 HB3 TYR 95 HB3 TYR 95 0.360 35.325 19.237 453 HD1 TYR 95 HD2 TYR 95 -0.280 32.891 19.389 454 HD2 TYR 95 HD1 TYR 95 3.786 34.239 19.724 455 HE1 TYR 95 HE2 TYR 95 0.353 30.729 20.425 456 HE2 TYR 95 HE1 TYR 95 4.418 32.076 20.760 457 HH TYR 95 HH TYR 95 3.496 29.737 20.809 458 H SER 96 H SER 96 -1.120 35.748 16.935 459 HA SER 96 HA SER 96 -0.566 37.896 15.137 460 HB2 SER 96 HB2 SER 96 -3.106 37.303 16.670 461 HB3 SER 96 HB3 SER 96 -2.955 38.343 15.259 462 HG SER 96 HG SER 96 -2.242 36.468 14.165 463 H SER 97 H SER 97 -1.351 37.719 18.593 464 HA SER 97 HA SER 97 -0.354 40.431 18.957 465 HB2 SER 97 HB2 SER 97 -2.370 41.308 19.936 466 HB3 SER 97 HB3 SER 97 -2.778 40.670 18.348 467 HG SER 97 HG SER 97 -3.753 39.967 20.664 468 H GLU 98 H GLU 98 -0.493 41.063 21.321 469 HA GLU 98 HA GLU 98 0.816 39.134 22.898 470 HB2 GLU 98 HB2 GLU 98 -0.589 41.689 23.704 471 HB3 GLU 98 HB3 GLU 98 0.475 40.755 24.755 472 HG2 GLU 98 HG2 GLU 98 2.304 41.022 23.094 473 HG3 GLU 98 HG3 GLU 98 1.244 42.021 22.110 474 H SER 99 H SER 99 -2.594 40.028 22.662 475 HA SER 99 HA SER 99 -3.535 38.939 25.055 476 HB2 SER 99 HB2 SER 99 -4.873 40.316 23.446 477 HB3 SER 99 HB3 SER 99 -4.976 38.908 22.395 478 HG SER 99 HG SER 99 -6.727 38.933 23.750 479 H GLU 100 H GLU 100 -3.020 37.376 21.904 480 HA GLU 100 HA GLU 100 -4.094 34.865 22.590 481 HB2 GLU 100 HB2 GLU 100 -1.969 35.616 20.575 482 HB3 GLU 100 HB3 GLU 100 -2.709 34.016 20.686 483 HG2 GLU 100 HG2 GLU 100 -4.945 35.055 20.385 484 HG3 GLU 100 HG3 GLU 100 -4.173 36.624 20.197 485 H MET 101 H MET 101 -0.866 36.230 23.082 486 HA MET 101 HA MET 101 0.409 33.824 23.869 487 HB2 MET 101 HB2 MET 101 0.999 36.698 24.611 488 HB3 MET 101 HB3 MET 101 2.068 35.335 24.946 489 HG2 MET 101 HG2 MET 101 2.072 34.822 22.483 490 HG3 MET 101 HG3 MET 101 1.175 36.320 22.223 491 HE1 MET 101 HE1 MET 101 4.306 34.538 23.189 492 HE2 MET 101 HE2 MET 101 4.157 35.377 24.732 493 HE3 MET 101 HE3 MET 101 5.489 35.771 23.646 494 H MET 102 H MET 102 -1.191 36.385 25.759 495 HA MET 102 HA MET 102 -0.655 35.342 28.309 496 HB2 MET 102 HB2 MET 102 -3.005 36.990 27.349 497 HB3 MET 102 HB3 MET 102 -2.604 36.701 29.043 498 HG2 MET 102 HG2 MET 102 -0.330 37.683 28.599 499 HG3 MET 102 HG3 MET 102 -0.892 38.121 26.986 500 HE1 MET 102 HE1 MET 102 -1.174 38.217 30.585 501 HE2 MET 102 HE2 MET 102 -2.917 38.464 30.651 502 HE3 MET 102 HE3 MET 102 -1.830 39.793 31.045 503 H LYS 103 H LYS 103 -3.270 34.652 26.040 504 HA LYS 103 HA LYS 103 -4.553 32.833 27.938 505 HB2 LYS 103 HB2 LYS 103 -5.331 33.626 25.127 506 HB3 LYS 103 HB3 LYS 103 -6.301 32.644 26.225 507 HG2 LYS 103 HG2 LYS 103 -6.198 34.566 27.873 508 HG3 LYS 103 HG3 LYS 103 -5.482 35.536 26.587 509 HD2 LYS 103 HD2 LYS 103 -8.158 34.126 26.385 510 HD3 LYS 103 HD3 LYS 103 -7.955 35.839 26.755 511 HE2 LYS 103 HE2 LYS 103 -6.625 36.008 24.579 512 HE3 LYS 103 HE3 LYS 103 -7.229 34.396 24.199 513 HZ1 LYS 103 HZ1 LYS 103 -8.794 36.872 24.627 514 HZ2 LYS 103 HZ2 LYS 103 -9.507 35.329 24.636 515 HZ3 LYS 103 HZ3 LYS 103 -8.733 35.902 23.236 516 H ALA 104 H ALA 104 -1.869 32.301 26.356 517 HA ALA 104 HA ALA 104 -2.232 30.287 24.486 518 HB1 ALA 104 HB1 ALA 104 -0.034 30.706 26.516 519 HB2 ALA 104 HB2 ALA 104 -0.047 31.202 24.824 520 HB3 ALA 104 HB3 ALA 104 0.045 29.491 25.241 521 H ALA 105 H ALA 105 -2.300 28.057 24.569 522 HA ALA 105 HA ALA 105 -2.974 26.847 27.186 523 HB1 ALA 105 HB1 ALA 105 -4.879 27.284 25.405 524 HB2 ALA 105 HB2 ALA 105 -4.827 25.775 26.319 525 HB3 ALA 105 HB3 ALA 105 -4.216 25.827 24.664 526 HA PRO 106 HA PRO 106 -0.107 23.616 26.427 527 HB2 PRO 106 HB2 PRO 106 -2.194 21.499 26.393 528 HB3 PRO 106 HB3 PRO 106 -0.777 21.676 27.446 529 HG2 PRO 106 HG2 PRO 106 -3.240 22.141 28.335 530 HG3 PRO 106 HG3 PRO 106 -1.853 23.100 28.884 531 HD2 PRO 106 HD2 PRO 106 -3.998 23.851 26.935 532 HD3 PRO 106 HD3 PRO 106 -3.156 24.859 28.134 533 H GLY 107 H GLY 107 0.868 22.512 24.749 534 HA2 GLY 107 HA2 GLY 107 0.800 21.146 22.776 535 HA3 GLY 107 HA3 GLY 107 -0.761 21.846 22.382 536 H GLN 108 H GLN 108 0.630 24.580 23.170 537 HA GLN 108 HA GLN 108 1.451 25.126 20.426 538 HB2 GLN 108 HB2 GLN 108 1.024 26.936 22.809 539 HB3 GLN 108 HB3 GLN 108 1.527 27.502 21.214 540 HG2 GLN 108 HG2 GLN 108 -0.503 26.476 20.226 541 HG3 GLN 108 HG3 GLN 108 -1.020 25.980 21.836 542 HE21 GLN 108 HE21 GLN 108 -0.762 28.713 19.643 543 HE22 GLN 108 HE22 GLN 108 -1.548 29.830 20.651 544 H GLN 109 H GLN 109 3.428 26.245 19.918 545 HA GLN 109 HA GLN 109 5.641 25.417 21.705 546 HB2 GLN 109 HB2 GLN 109 5.577 25.814 18.704 547 HB3 GLN 109 HB3 GLN 109 7.023 25.428 19.638 548 HG2 GLN 109 HG2 GLN 109 6.009 23.342 20.409 549 HG3 GLN 109 HG3 GLN 109 4.510 23.733 19.571 550 HE21 GLN 109 HE21 GLN 109 5.979 21.341 18.986 551 HE22 GLN 109 HE22 GLN 109 6.588 21.465 17.406 552 H ILE 110 H ILE 110 7.304 26.811 22.130 553 HA ILE 110 HA ILE 110 7.070 29.591 21.150 554 HB ILE 110 HB ILE 110 7.924 28.665 23.910 555 HG12 ILE 110 HG12 ILE 110 5.509 30.292 23.072 556 HG13 ILE 110 HG13 ILE 110 5.457 28.557 23.379 557 HG21 ILE 110 HG21 ILE 110 7.690 31.430 22.682 558 HG22 ILE 110 HG22 ILE 110 9.168 30.645 23.242 559 HG23 ILE 110 HG23 ILE 110 7.929 31.121 24.403 560 HD11 ILE 110 HD11 ILE 110 4.781 29.950 25.358 561 HD12 ILE 110 HD12 ILE 110 6.418 30.601 25.403 562 HD13 ILE 110 HD13 ILE 110 6.145 28.881 25.679 563 H ILE 111 H ILE 111 8.942 30.488 20.377 564 HA ILE 111 HA ILE 111 11.356 28.772 20.434 565 HB ILE 111 HB ILE 111 10.682 31.011 18.506 566 HG12 ILE 111 HG12 ILE 111 10.626 28.009 18.064 567 HG13 ILE 111 HG13 ILE 111 9.186 28.993 18.325 568 HG21 ILE 111 HG21 ILE 111 12.844 28.879 18.470 569 HG22 ILE 111 HG22 ILE 111 13.105 30.581 18.846 570 HG23 ILE 111 HG23 ILE 111 12.581 30.105 17.230 571 HD11 ILE 111 HD11 ILE 111 9.999 30.426 16.357 572 HD12 ILE 111 HD12 ILE 111 9.389 28.819 15.962 573 HD13 ILE 111 HD13 ILE 111 11.127 29.114 16.013 574 H LEU 112 H LEU 112 13.122 29.462 21.443 575 HA LEU 112 HA LEU 112 13.270 32.296 22.299 576 HB2 LEU 112 HB2 LEU 112 14.222 29.793 23.705 577 HB3 LEU 112 HB3 LEU 112 14.580 31.437 24.238 578 HG LEU 112 HG LEU 112 11.738 30.570 23.744 579 HD11 LEU 112 HD11 LEU 112 11.586 30.035 26.160 580 HD12 LEU 112 HD12 LEU 112 13.329 30.258 26.308 581 HD13 LEU 112 HD13 LEU 112 12.688 28.943 25.322 582 HD21 LEU 112 HD21 LEU 112 13.139 32.720 25.349 583 HD22 LEU 112 HD22 LEU 112 11.433 32.335 25.578 584 HD23 LEU 112 HD23 LEU 112 12.002 32.929 24.018 585 HA PRO 113 HA PRO 113 17.070 31.546 19.797 586 HB2 PRO 113 HB2 PRO 113 17.382 34.080 18.854 587 HB3 PRO 113 HB3 PRO 113 16.302 32.898 18.089 588 HG2 PRO 113 HG2 PRO 113 15.647 35.158 19.901 589 HG3 PRO 113 HG3 PRO 113 14.771 34.552 18.484 590 HD2 PRO 113 HD2 PRO 113 14.045 33.982 21.075 591 HD3 PRO 113 HD3 PRO 113 13.662 32.939 19.689 592 H LEU 114 H LEU 114 18.652 31.295 21.295 593 HA LEU 114 HA LEU 114 19.354 33.562 23.040 594 HB2 LEU 114 HB2 LEU 114 18.922 31.330 24.071 595 HB3 LEU 114 HB3 LEU 114 20.296 30.688 23.171 596 HG LEU 114 HG LEU 114 21.704 32.516 24.244 597 HD11 LEU 114 HD11 LEU 114 19.130 32.805 25.805 598 HD12 LEU 114 HD12 LEU 114 20.050 34.067 24.984 599 HD13 LEU 114 HD13 LEU 114 20.685 33.326 26.454 600 HD21 LEU 114 HD21 LEU 114 21.682 31.307 26.518 601 HD22 LEU 114 HD22 LEU 114 21.972 30.309 25.093 602 HD23 LEU 114 HD23 LEU 114 20.379 30.324 25.851 603 H LYS 115 H LYS 115 21.155 34.709 22.714 604 HA LYS 115 HA LYS 115 23.015 33.822 20.612 605 HB2 LYS 115 HB2 LYS 115 22.604 36.525 21.911 606 HB3 LYS 115 HB3 LYS 115 23.804 36.182 20.664 607 HG2 LYS 115 HG2 LYS 115 21.968 35.427 19.154 608 HG3 LYS 115 HG3 LYS 115 20.798 35.901 20.385 609 HD2 LYS 115 HD2 LYS 115 21.716 38.223 20.304 610 HD3 LYS 115 HD3 LYS 115 22.766 37.726 18.976 611 HE2 LYS 115 HE2 LYS 115 20.770 37.079 17.657 612 HE3 LYS 115 HE3 LYS 115 19.735 37.631 18.974 613 HZ1 LYS 115 HZ1 LYS 115 20.246 39.227 17.045 614 HZ2 LYS 115 HZ2 LYS 115 21.752 39.432 17.803 615 HZ3 LYS 115 HZ3 LYS 115 20.321 39.823 18.631 616 H LYS 116 H LYS 116 25.167 33.503 20.989 617 HA LYS 116 HA LYS 116 25.951 33.143 23.768 618 HB2 LYS 116 HB2 LYS 116 27.361 32.507 21.175 619 HB3 LYS 116 HB3 LYS 116 27.994 32.125 22.777 620 HG2 LYS 116 HG2 LYS 116 25.923 30.813 23.241 621 HG3 LYS 116 HG3 LYS 116 25.392 31.120 21.586 622 HD2 LYS 116 HD2 LYS 116 27.490 30.046 20.758 623 HD3 LYS 116 HD3 LYS 116 27.902 29.643 22.425 624 HE2 LYS 116 HE2 LYS 116 25.217 28.844 21.347 625 HE3 LYS 116 HE3 LYS 116 26.636 27.881 20.933 626 HZ1 LYS 116 HZ1 LYS 116 25.453 28.389 23.583 627 HZ2 LYS 116 HZ2 LYS 116 27.095 27.973 23.445 628 HZ3 LYS 116 HZ3 LYS 116 25.896 26.912 22.876 629 H LEU 117 H LEU 117 26.086 35.798 21.743 630 HA LEU 117 HA LEU 117 28.504 36.815 23.119 631 HB2 LEU 117 HB2 LEU 117 28.831 36.298 20.651 632 HB3 LEU 117 HB3 LEU 117 27.686 37.599 20.319 633 HG LEU 117 HG LEU 117 29.210 39.018 21.891 634 HD11 LEU 117 HD11 LEU 117 31.654 38.152 21.482 635 HD12 LEU 117 HD12 LEU 117 30.871 36.583 21.300 636 HD13 LEU 117 HD13 LEU 117 30.710 37.478 22.811 637 HD21 LEU 117 HD21 LEU 117 30.695 39.554 19.945 638 HD22 LEU 117 HD22 LEU 117 28.990 39.461 19.503 639 HD23 LEU 117 HD23 LEU 117 30.074 38.123 19.123 640 HA PRO 118 HA PRO 118 24.819 39.501 24.141 641 HB2 PRO 118 HB2 PRO 118 26.562 40.028 26.497 642 HB3 PRO 118 HB3 PRO 118 24.823 39.683 26.432 643 HG2 PRO 118 HG2 PRO 118 26.571 37.868 27.278 644 HG3 PRO 118 HG3 PRO 118 25.135 37.416 26.341 645 HD2 PRO 118 HD2 PRO 118 27.988 37.564 25.454 646 HD3 PRO 118 HD3 PRO 118 26.701 36.447 24.943 647 H PHE 119 H PHE 119 24.777 41.855 24.383 648 HA PHE 119 HA PHE 119 27.325 43.216 23.777 649 HB2 PHE 119 HB2 PHE 119 26.263 44.530 22.039 650 HB3 PHE 119 HB3 PHE 119 26.157 42.823 21.654 651 HD1 PHE 119 HD2 PHE 119 23.982 41.625 21.874 652 HD2 PHE 119 HD1 PHE 119 24.315 45.870 22.440 653 HE1 PHE 119 HE2 PHE 119 21.525 41.849 21.629 654 HE2 PHE 119 HE1 PHE 119 21.857 46.094 22.196 655 HZ PHE 119 HZ PHE 119 20.462 44.084 21.790 656 H GLU 120 H GLU 120 27.345 45.462 24.293 657 HA GLU 120 HA GLU 120 25.073 46.535 25.788 658 HB2 GLU 120 HB2 GLU 120 26.501 45.313 27.442 659 HB3 GLU 120 HB3 GLU 120 27.832 46.392 27.022 660 HG2 GLU 120 HG2 GLU 120 26.408 48.338 27.642 661 HG3 GLU 120 HG3 GLU 120 25.143 47.226 28.144 662 H TYR 121 H TYR 121 24.944 48.744 25.703 663 HA TYR 121 HA TYR 121 27.120 50.154 24.261 664 HB2 TYR 121 HB2 TYR 121 24.161 50.762 24.326 665 HB3 TYR 121 HB3 TYR 121 25.377 51.712 23.492 666 HD1 TYR 121 HD2 TYR 121 26.629 50.684 21.554 667 HD2 TYR 121 HD1 TYR 121 23.213 48.812 23.363 668 HE1 TYR 121 HE2 TYR 121 26.353 49.250 19.549 669 HE2 TYR 121 HE1 TYR 121 22.935 47.381 21.358 670 HH TYR 121 HH TYR 121 24.930 47.800 18.532 671 H SER 122 H SER 122 28.129 51.717 25.334 672 HA SER 122 HA SER 122 27.533 52.320 28.040 673 HB2 SER 122 HB2 SER 122 29.354 53.904 27.898 674 HB3 SER 122 HB3 SER 122 29.798 52.447 27.015 675 HG SER 122 HG SER 122 29.767 54.831 26.094 676 H ALA 123 H ALA 123 26.637 53.882 25.016 677 HA ALA 123 HA ALA 123 25.592 56.208 26.473 678 HB1 ALA 123 HB1 ALA 123 26.082 55.628 23.555 679 HB2 ALA 123 HB2 ALA 123 26.813 56.877 24.564 680 HB3 ALA 123 HB3 ALA 123 25.122 57.011 24.080 681 H LEU 124 H LEU 124 23.460 56.687 26.625 682 HA LEU 124 HA LEU 124 21.521 54.870 25.326 683 HB2 LEU 124 HB2 LEU 124 21.856 54.299 27.745 684 HB3 LEU 124 HB3 LEU 124 21.291 55.920 28.155 685 HG LEU 124 HG LEU 124 19.215 55.361 26.735 686 HD11 LEU 124 HD11 LEU 124 18.826 52.773 26.900 687 HD12 LEU 124 HD12 LEU 124 20.588 52.695 26.951 688 HD13 LEU 124 HD13 LEU 124 19.777 53.416 25.561 689 HD21 LEU 124 HD21 LEU 124 19.319 55.464 29.250 690 HD22 LEU 124 HD22 LEU 124 19.656 53.733 29.254 691 HD23 LEU 124 HD23 LEU 124 18.116 54.328 28.635 692 HA PRO 125 HA PRO 125 20.544 59.304 24.396 693 HB2 PRO 125 HB2 PRO 125 19.346 58.793 21.964 694 HB3 PRO 125 HB3 PRO 125 21.079 59.110 22.174 695 HG2 PRO 125 HG2 PRO 125 19.661 56.521 21.841 696 HG3 PRO 125 HG3 PRO 125 21.221 57.051 21.186 697 HD2 PRO 125 HD2 PRO 125 21.052 55.390 23.326 698 HD3 PRO 125 HD3 PRO 125 22.371 56.569 23.139 699 H LEU 126 H LEU 126 18.830 59.972 25.542 700 HA LEU 126 HA LEU 126 16.337 58.408 25.469 701 HB2 LEU 126 HB2 LEU 126 17.366 58.954 27.678 702 HB3 LEU 126 HB3 LEU 126 17.122 60.665 27.326 703 HG LEU 126 HG LEU 126 14.661 60.124 26.983 704 HD11 LEU 126 HD11 LEU 126 14.722 57.755 26.655 705 HD12 LEU 126 HD12 LEU 126 13.954 58.006 28.222 706 HD13 LEU 126 HD13 LEU 126 15.643 57.506 28.138 707 HD21 LEU 126 HD21 LEU 126 16.041 59.779 29.652 708 HD22 LEU 126 HD22 LEU 126 14.284 59.845 29.510 709 HD23 LEU 126 HD23 LEU 126 15.261 61.224 29.009 710 H LEU 127 H LEU 127 14.606 59.127 24.396 711 HA LEU 127 HA LEU 127 14.699 61.423 22.753 712 HB2 LEU 127 HB2 LEU 127 12.422 59.652 23.641 713 HB3 LEU 127 HB3 LEU 127 12.199 60.998 22.524 714 HG LEU 127 HG LEU 127 14.198 59.904 21.227 715 HD11 LEU 127 HD11 LEU 127 13.874 57.321 21.501 716 HD12 LEU 127 HD12 LEU 127 13.273 57.743 23.104 717 HD13 LEU 127 HD13 LEU 127 14.917 58.177 22.636 718 HD21 LEU 127 HD21 LEU 127 12.615 58.655 19.886 719 HD22 LEU 127 HD22 LEU 127 11.788 60.089 20.496 720 HD23 LEU 127 HD23 LEU 127 11.500 58.519 21.246 721 H GLY 128 H GLY 128 13.200 60.827 25.908 722 HA2 GLY 128 HA2 GLY 128 12.640 62.317 27.580 723 HA3 GLY 128 HA3 GLY 128 13.373 63.597 26.623 724 H SER 129 H SER 129 10.783 61.488 25.482 725 HA SER 129 HA SER 129 8.931 63.803 25.528 726 HB2 SER 129 HB2 SER 129 9.136 61.628 23.431 727 HB3 SER 129 HB3 SER 129 7.966 62.944 23.443 728 HG SER 129 HG SER 129 9.765 64.333 23.338 729 H ALA 130 H ALA 130 6.767 63.373 25.991 730 HA ALA 130 HA ALA 130 6.159 60.642 26.963 731 HB1 ALA 130 HB1 ALA 130 6.370 61.747 28.987 732 HB2 ALA 130 HB2 ALA 130 4.659 62.008 28.644 733 HB3 ALA 130 HB3 ALA 130 5.828 63.289 28.323 734 HA PRO 131 HA PRO 131 2.754 62.026 24.187 735 HB2 PRO 131 HB2 PRO 131 2.858 60.094 22.309 736 HB3 PRO 131 HB3 PRO 131 3.955 61.489 22.272 737 HG2 PRO 131 HG2 PRO 131 4.489 58.692 23.063 738 HG3 PRO 131 HG3 PRO 131 5.559 59.881 22.303 739 HD2 PRO 131 HD2 PRO 131 5.507 59.203 25.044 740 HD3 PRO 131 HD3 PRO 131 6.353 60.584 24.316 741 H LEU 132 H LEU 132 1.759 61.254 26.327 742 HA LEU 132 HA LEU 132 0.697 58.521 26.196 743 HB2 LEU 132 HB2 LEU 132 0.468 60.588 28.396 744 HB3 LEU 132 HB3 LEU 132 -0.032 58.901 28.498 745 HG LEU 132 HG LEU 132 2.806 59.830 27.968 746 HD11 LEU 132 HD11 LEU 132 3.232 59.014 30.276 747 HD12 LEU 132 HD12 LEU 132 1.504 58.720 30.474 748 HD13 LEU 132 HD13 LEU 132 2.100 60.366 30.257 749 HD21 LEU 132 HD21 LEU 132 2.642 57.683 27.031 750 HD22 LEU 132 HD22 LEU 132 1.460 57.148 28.226 751 HD23 LEU 132 HD23 LEU 132 3.155 57.331 28.681 752 H VAL 133 H VAL 133 -1.373 58.064 25.733 753 HA VAL 133 HA VAL 133 -3.083 60.017 24.598 754 HB VAL 133 HB VAL 133 -3.768 57.249 25.627 755 HG11 VAL 133 HG11 VAL 133 -5.634 57.393 24.009 756 HG12 VAL 133 HG12 VAL 133 -5.165 59.049 23.623 757 HG13 VAL 133 HG13 VAL 133 -5.754 58.654 25.238 758 HG21 VAL 133 HG21 VAL 133 -2.998 58.170 22.841 759 HG22 VAL 133 HG22 VAL 133 -3.374 56.518 23.330 760 HG23 VAL 133 HG23 VAL 133 -1.922 57.310 23.943 761 H ALA 134 H ALA 134 -2.997 58.456 27.784 762 HA ALA 134 HA ALA 134 -5.380 59.548 28.809 763 HB1 ALA 134 HB1 ALA 134 -2.893 58.937 30.414 764 HB2 ALA 134 HB2 ALA 134 -3.993 57.690 29.824 765 HB3 ALA 134 HB3 ALA 134 -4.568 58.907 30.965 766 H ALA 135 H ALA 135 -2.074 60.814 28.719 767 HA ALA 135 HA ALA 135 -2.463 63.048 30.389 768 HB1 ALA 135 HB1 ALA 135 -0.482 63.988 29.226 769 HB2 ALA 135 HB2 ALA 135 -0.583 62.681 28.046 770 HB3 ALA 135 HB3 ALA 135 -0.236 62.318 29.737 771 H GLY 136 H GLY 136 -3.103 62.560 26.945 772 HA2 GLY 136 HA2 GLY 136 -3.498 65.226 26.178 773 HA3 GLY 136 HA3 GLY 136 -4.255 63.831 25.413 774 H GLY 137 H GLY 137 -4.897 66.666 26.945 775 HA2 GLY 137 HA2 GLY 137 -7.014 66.140 28.696 776 HA3 GLY 137 HA3 GLY 137 -6.821 67.622 27.769 777 H VAL 138 H VAL 138 -6.968 66.394 25.167 778 HA VAL 138 HA VAL 138 -9.855 65.738 25.107 779 HB VAL 138 HB VAL 138 -8.129 66.906 22.906 780 HG11 VAL 138 HG11 VAL 138 -11.046 66.188 23.156 781 HG12 VAL 138 HG12 VAL 138 -9.922 65.796 21.854 782 HG13 VAL 138 HG13 VAL 138 -10.519 67.446 22.037 783 HG21 VAL 138 HG21 VAL 138 -9.203 69.017 23.379 784 HG22 VAL 138 HG22 VAL 138 -8.534 68.418 24.896 785 HG23 VAL 138 HG23 VAL 138 -10.262 68.270 24.575 786 H ALA 139 H ALA 139 -10.483 63.827 24.312 787 HA ALA 139 HA ALA 139 -8.619 61.760 23.811 788 HB1 ALA 139 HB1 ALA 139 -10.600 60.445 23.119 789 HB2 ALA 139 HB2 ALA 139 -11.570 61.919 23.156 790 HB3 ALA 139 HB3 ALA 139 -10.863 61.290 24.645 791 H GLY 140 H GLY 140 -10.456 63.880 21.653 792 HA2 GLY 140 HA2 GLY 140 -9.792 62.478 19.252 793 HA3 GLY 140 HA3 GLY 140 -10.442 64.112 19.356 794 H HIS 141 H HIS 141 -7.851 62.379 18.338 795 HA HIS 141 HA HIS 141 -5.607 63.881 19.117 796 HB2 HIS 141 HB2 HIS 141 -5.508 61.701 17.955 797 HB3 HIS 141 HB3 HIS 141 -6.092 62.470 16.491 798 HD1 HIS 141 HD1 HIS 141 -4.408 63.824 15.109 799 HD2 HIS 141 HD2 HIS 141 -2.797 62.344 18.659 800 HE1 HIS 141 HE1 HIS 141 -1.906 64.184 14.965 801 H THR 142 H THR 142 -7.929 64.353 16.486 802 HA THR 142 HA THR 142 -6.503 66.487 15.237 803 HB THR 142 HB THR 142 -9.461 65.861 15.084 804 HG1 THR 142 HG1 THR 142 -7.243 64.797 13.827 805 HG21 THR 142 HG21 THR 142 -8.912 68.042 14.164 806 HG22 THR 142 HG22 THR 142 -9.204 66.925 12.832 807 HG23 THR 142 HG23 THR 142 -7.553 67.363 13.270 808 H ASN 143 H ASN 143 -6.533 68.627 15.614 809 HA ASN 143 HA ASN 143 -8.228 69.609 17.834 810 HB2 ASN 143 HB2 ASN 143 -5.571 70.618 16.795 811 HB3 ASN 143 HB3 ASN 143 -6.513 71.389 18.070 812 HD21 ASN 143 HD21 ASN 143 -3.834 70.270 18.436 813 HD22 ASN 143 HD22 ASN 143 -3.977 69.000 19.552 814 H GLY 144 H GLY 144 -9.783 71.011 17.344 815 HA2 GLY 144 HA2 GLY 144 -10.388 71.883 14.756 816 HA3 GLY 144 HA3 GLY 144 -11.027 72.596 16.233 817 H SER 145 H SER 145 -8.490 73.432 17.310 818 HA SER 145 HA SER 145 -8.267 76.002 16.236 819 HB2 SER 145 HB2 SER 145 -6.148 74.468 17.759 820 HB3 SER 145 HB3 SER 145 -6.245 76.216 17.578 821 HG SER 145 HG SER 145 -8.127 74.558 18.810 822 H GLY 146 H GLY 146 -6.498 73.047 15.444 823 HA2 GLY 146 HA2 GLY 146 -4.395 74.098 13.953 824 HA3 GLY 146 HA3 GLY 146 -5.131 72.525 13.670 825 H SER 147 H SER 147 -7.773 73.632 13.038 826 HA SER 147 HA SER 147 -7.570 73.802 10.267 827 HB2 SER 147 HB2 SER 147 -9.765 74.955 12.000 828 HB3 SER 147 HB3 SER 147 -9.889 74.545 10.294 829 HG SER 147 HG SER 147 -9.572 72.428 10.878 830 H GLU 148 H GLU 148 -7.471 76.374 12.680 831 HA GLU 148 HA GLU 148 -7.900 78.576 11.000 832 HB2 GLU 148 HB2 GLU 148 -7.848 78.639 13.495 833 HB3 GLU 148 HB3 GLU 148 -6.093 78.483 13.423 834 HG2 GLU 148 HG2 GLU 148 -6.000 80.537 12.020 835 HG3 GLU 148 HG3 GLU 148 -7.740 80.714 12.201 836 H ASN 149 H ASN 149 -4.969 76.701 11.622 837 HA ASN 149 HA ASN 149 -3.323 78.633 10.199 838 HB2 ASN 149 HB2 ASN 149 -1.453 77.186 10.796 839 HB3 ASN 149 HB3 ASN 149 -2.442 77.559 12.204 840 HD21 ASN 149 HD21 ASN 149 -2.269 75.688 13.470 841 HD22 ASN 149 HD22 ASN 149 -2.609 74.121 12.912 842 H LEU 150 H LEU 150 -5.401 76.469 8.973 843 HA LEU 150 HA LEU 150 -3.902 74.911 7.174 844 HB2 LEU 150 HB2 LEU 150 -6.694 76.046 6.916 845 HB3 LEU 150 HB3 LEU 150 -6.006 74.833 5.835 846 HG LEU 150 HG LEU 150 -6.187 74.473 8.836 847 HD11 LEU 150 HD11 LEU 150 -8.016 73.409 6.660 848 HD12 LEU 150 HD12 LEU 150 -8.445 74.662 7.824 849 HD13 LEU 150 HD13 LEU 150 -8.119 73.020 8.377 850 HD21 LEU 150 HD21 LEU 150 -6.009 72.017 7.971 851 HD22 LEU 150 HD22 LEU 150 -4.547 73.004 8.008 852 HD23 LEU 150 HD23 LEU 150 -5.405 72.756 6.488 853 H TYR 151 H TYR 151 -5.022 78.256 6.974 854 HA TYR 151 HA TYR 151 -3.582 78.525 4.396 855 HB2 TYR 151 HB2 TYR 151 -5.117 80.265 3.789 856 HB3 TYR 151 HB3 TYR 151 -6.029 78.836 4.231 857 HD1 TYR 151 HD2 TYR 151 -7.267 78.764 6.393 858 HD2 TYR 151 HD1 TYR 151 -5.280 82.316 5.021 859 HE1 TYR 151 HE2 TYR 151 -8.564 80.117 8.017 860 HE2 TYR 151 HE1 TYR 151 -6.578 83.669 6.644 861 HH TYR 151 HH TYR 151 -8.448 82.260 9.101 862 H PHE 152 H PHE 152 -2.094 80.106 4.187 863 HA PHE 152 HA PHE 152 -1.495 81.719 6.593 864 HB2 PHE 152 HB2 PHE 152 0.253 80.119 5.854 865 HB3 PHE 152 HB3 PHE 152 0.319 80.941 4.306 866 HD1 PHE 152 HD1 PHE 152 1.025 81.241 7.926 867 HD2 PHE 152 HD2 PHE 152 1.480 83.035 4.049 868 HE1 PHE 152 HE1 PHE 152 2.693 82.824 8.854 869 HE2 PHE 152 HE2 PHE 152 3.148 84.618 4.978 870 HZ PHE 152 HZ PHE 152 3.755 84.513 7.381 871 H GLN 153 H GLN 153 -1.481 83.894 6.463 872 HA GLN 153 HA GLN 153 -1.731 85.146 3.788 873 HB2 GLN 153 HB2 GLN 153 -3.920 85.068 4.987 874 HB3 GLN 153 HB3 GLN 153 -3.196 86.007 6.293 875 HG2 GLN 153 HG2 GLN 153 -2.689 87.829 4.733 876 HG3 GLN 153 HG3 GLN 153 -3.354 86.893 3.399 877 HE21 GLN 153 HE21 GLN 153 -4.516 89.343 3.790 878 HE22 GLN 153 HE22 GLN 153 -6.045 89.185 4.509 Start of MODEL 10 1 H1 MET 39 HT1 MET 39 7.377 13.023 -11.106 2 H2 MET 39 HT2 MET 39 7.960 12.746 -9.535 3 H3 MET 39 HT3 MET 39 6.704 11.786 -10.160 4 HA MET 39 HA MET 39 8.298 11.044 -11.933 5 HB2 MET 39 HB2 MET 39 10.205 12.385 -9.994 6 HB3 MET 39 HB3 MET 39 10.703 11.293 -11.286 7 HG2 MET 39 HG2 MET 39 9.614 12.805 -12.940 8 HG3 MET 39 HG3 MET 39 9.233 13.922 -11.630 9 HE1 MET 39 HE1 MET 39 11.994 15.911 -13.332 10 HE2 MET 39 HE2 MET 39 10.321 15.816 -12.790 11 HE3 MET 39 HE3 MET 39 10.847 14.862 -14.174 12 H ASN 40 H ASN 40 10.030 9.268 -11.215 13 HA ASN 40 HA ASN 40 8.677 7.385 -9.659 14 HB2 ASN 40 HB2 ASN 40 10.546 6.965 -11.319 15 HB3 ASN 40 HB3 ASN 40 11.670 7.454 -10.053 16 HD21 ASN 40 HD21 ASN 40 12.539 5.216 -10.035 17 HD22 ASN 40 HD22 ASN 40 11.671 3.975 -9.267 18 H GLY 41 H GLY 41 11.234 9.668 -8.759 19 HA2 GLY 41 HA2 GLY 41 11.801 10.524 -6.693 20 HA3 GLY 41 HA3 GLY 41 10.375 9.730 -6.033 21 H GLU 42 H GLU 42 13.048 8.159 -7.743 22 HA GLU 42 HA GLU 42 13.289 6.046 -5.926 23 HB2 GLU 42 HB2 GLU 42 14.184 6.075 -8.260 24 HB3 GLU 42 HB3 GLU 42 15.480 7.136 -7.705 25 HG2 GLU 42 HG2 GLU 42 16.132 5.411 -6.031 26 HG3 GLU 42 HG3 GLU 42 14.894 4.344 -6.680 27 H ASN 43 H ASN 43 14.952 9.166 -6.038 28 HA ASN 43 HA ASN 43 16.467 8.454 -3.622 29 HB2 ASN 43 HB2 ASN 43 17.758 10.489 -4.049 30 HB3 ASN 43 HB3 ASN 43 17.748 9.433 -5.456 31 HD21 ASN 43 HD21 ASN 43 18.348 12.113 -5.878 32 HD22 ASN 43 HD22 ASN 43 17.051 12.888 -6.653 33 H TYR 44 H TYR 44 14.913 8.544 -2.037 34 HA TYR 44 HA TYR 44 13.058 10.656 -1.721 35 HB2 TYR 44 HB2 TYR 44 12.575 9.725 0.413 36 HB3 TYR 44 HB3 TYR 44 12.854 8.405 -0.704 37 HD1 TYR 44 HD2 TYR 44 14.945 7.062 -0.554 38 HD2 TYR 44 HD1 TYR 44 13.987 10.116 2.311 39 HE1 TYR 44 HE2 TYR 44 16.624 6.122 1.011 40 HE2 TYR 44 HE1 TYR 44 15.664 9.175 3.876 41 HH TYR 44 HH TYR 44 17.571 7.746 3.854 42 H PHE 45 H PHE 45 16.419 10.384 -0.793 43 HA PHE 45 HA PHE 45 16.575 12.199 1.310 44 HB2 PHE 45 HB2 PHE 45 18.521 11.689 -0.940 45 HB3 PHE 45 HB3 PHE 45 18.895 12.639 0.485 46 HD1 PHE 45 HD2 PHE 45 19.024 11.544 2.717 47 HD2 PHE 45 HD1 PHE 45 18.452 9.294 -0.897 48 HE1 PHE 45 HE2 PHE 45 19.680 9.468 3.905 49 HE2 PHE 45 HE1 PHE 45 19.107 7.219 0.291 50 HZ PHE 45 HZ PHE 45 19.722 7.306 2.692 51 H LYS 46 H LYS 46 16.491 12.801 -2.181 52 HA LYS 46 HA LYS 46 17.052 15.548 -2.147 53 HB2 LYS 46 HB2 LYS 46 16.948 14.125 -4.193 54 HB3 LYS 46 HB3 LYS 46 15.191 14.093 -4.040 55 HG2 LYS 46 HG2 LYS 46 15.163 16.579 -4.159 56 HG3 LYS 46 HG3 LYS 46 16.909 16.565 -4.409 57 HD2 LYS 46 HD2 LYS 46 16.551 15.122 -6.429 58 HD3 LYS 46 HD3 LYS 46 14.813 15.331 -6.217 59 HE2 LYS 46 HE2 LYS 46 14.892 17.617 -6.724 60 HE3 LYS 46 HE3 LYS 46 16.611 17.738 -6.350 61 HZ1 LYS 46 HZ1 LYS 46 15.493 16.205 -8.634 62 HZ2 LYS 46 HZ2 LYS 46 17.136 16.482 -8.302 63 HZ3 LYS 46 HZ3 LYS 46 16.129 17.775 -8.751 64 H LEU 47 H LEU 47 13.997 13.804 -1.733 65 HA LEU 47 HA LEU 47 12.263 16.016 -1.770 66 HB2 LEU 47 HB2 LEU 47 11.981 13.441 -0.205 67 HB3 LEU 47 HB3 LEU 47 10.678 14.562 -0.597 68 HG LEU 47 HG LEU 47 12.382 13.114 -2.647 69 HD11 LEU 47 HD11 LEU 47 10.816 11.667 -1.273 70 HD12 LEU 47 HD12 LEU 47 10.486 11.675 -3.006 71 HD13 LEU 47 HD13 LEU 47 9.484 12.629 -1.913 72 HD21 LEU 47 HD21 LEU 47 10.421 13.894 -4.126 73 HD22 LEU 47 HD22 LEU 47 11.577 15.128 -3.626 74 HD23 LEU 47 HD23 LEU 47 10.020 14.995 -2.808 75 H GLY 48 H GLY 48 14.220 14.644 0.831 76 HA2 GLY 48 HA2 GLY 48 13.046 15.857 3.043 77 HA3 GLY 48 HA3 GLY 48 14.754 15.451 2.919 78 H SER 49 H SER 49 15.374 17.182 0.724 79 HA SER 49 HA SER 49 16.021 19.553 2.076 80 HB2 SER 49 HB2 SER 49 15.763 19.157 -0.915 81 HB3 SER 49 HB3 SER 49 16.677 20.423 -0.102 82 HG SER 49 HG SER 49 18.173 19.001 0.239 83 H ASP 50 H ASP 50 13.287 18.769 -0.032 84 HA ASP 50 HA ASP 50 12.218 21.337 -0.345 85 HB2 ASP 50 HB2 ASP 50 11.486 19.250 -1.542 86 HB3 ASP 50 HB3 ASP 50 10.631 18.779 -0.074 87 H SER 51 H SER 51 11.897 19.027 2.311 88 HA SER 51 HA SER 51 9.737 20.162 3.664 89 HB2 SER 51 HB2 SER 51 10.832 17.985 4.230 90 HB3 SER 51 HB3 SER 51 12.171 18.887 4.931 91 HG SER 51 HG SER 51 10.450 19.897 6.198 92 H LYS 52 H LYS 52 13.167 21.049 3.723 93 HA LYS 52 HA LYS 52 12.576 23.220 5.622 94 HB2 LYS 52 HB2 LYS 52 15.244 22.292 4.530 95 HB3 LYS 52 HB3 LYS 52 14.993 23.462 5.825 96 HG2 LYS 52 HG2 LYS 52 14.096 20.565 5.915 97 HG3 LYS 52 HG3 LYS 52 15.547 21.194 6.693 98 HD2 LYS 52 HD2 LYS 52 14.080 22.804 7.959 99 HD3 LYS 52 HD3 LYS 52 12.680 21.963 7.295 100 HE2 LYS 52 HE2 LYS 52 12.961 20.850 9.323 101 HE3 LYS 52 HE3 LYS 52 13.878 19.817 8.226 102 HZ1 LYS 52 HZ1 LYS 52 15.243 20.215 10.091 103 HZ2 LYS 52 HZ2 LYS 52 14.928 21.885 10.069 104 HZ3 LYS 52 HZ3 LYS 52 15.867 21.178 8.842 105 H LEU 53 H LEU 53 12.364 25.261 4.973 106 HA LEU 53 HA LEU 53 12.319 25.984 2.242 107 HB2 LEU 53 HB2 LEU 53 12.532 27.769 4.680 108 HB3 LEU 53 HB3 LEU 53 12.051 28.283 3.063 109 HG LEU 53 HG LEU 53 10.593 26.198 4.714 110 HD11 LEU 53 HD11 LEU 53 8.836 28.000 4.856 111 HD12 LEU 53 HD12 LEU 53 10.015 29.126 4.183 112 HD13 LEU 53 HD13 LEU 53 10.312 28.369 5.747 113 HD21 LEU 53 HD21 LEU 53 8.803 26.847 2.913 114 HD22 LEU 53 HD22 LEU 53 10.087 25.721 2.472 115 HD23 LEU 53 HD23 LEU 53 10.194 27.414 1.989 116 H LEU 54 H LEU 54 14.791 26.366 4.752 117 HA LEU 54 HA LEU 54 16.608 27.571 2.774 118 HB2 LEU 54 HB2 LEU 54 16.722 27.344 5.783 119 HB3 LEU 54 HB3 LEU 54 18.087 27.898 4.813 120 HG LEU 54 HG LEU 54 16.377 29.560 3.771 121 HD11 LEU 54 HD11 LEU 54 14.293 28.904 4.574 122 HD12 LEU 54 HD12 LEU 54 14.710 30.175 5.721 123 HD13 LEU 54 HD13 LEU 54 14.923 28.482 6.165 124 HD21 LEU 54 HD21 LEU 54 17.135 29.957 6.678 125 HD22 LEU 54 HD22 LEU 54 16.943 31.200 5.441 126 HD23 LEU 54 HD23 LEU 54 18.296 30.070 5.353 127 H THR 55 H THR 55 18.437 26.579 2.089 128 HA THR 55 HA THR 55 18.936 23.822 3.057 129 HB THR 55 HB THR 55 18.085 23.827 0.771 130 HG1 THR 55 HG1 THR 55 19.836 22.746 -0.085 131 HG21 THR 55 HG21 THR 55 19.296 24.975 -1.018 132 HG22 THR 55 HG22 THR 55 20.464 25.599 0.146 133 HG23 THR 55 HG23 THR 55 18.787 26.142 0.202 134 H HIS 56 H HIS 56 20.372 26.910 2.174 135 HA HIS 56 HA HIS 56 23.062 26.185 2.007 136 HB2 HIS 56 HB2 HIS 56 22.137 28.420 1.456 137 HB3 HIS 56 HB3 HIS 56 21.921 28.728 3.169 138 HD1 HIS 56 HD1 HIS 56 24.790 27.744 0.842 139 HD2 HIS 56 HD2 HIS 56 24.077 30.065 4.232 140 HE1 HIS 56 HE1 HIS 56 26.980 28.881 1.404 141 H ASN 57 H ASN 57 21.086 26.950 4.851 142 HA ASN 57 HA ASN 57 23.369 26.435 6.615 143 HB2 ASN 57 HB2 ASN 57 21.738 28.362 6.967 144 HB3 ASN 57 HB3 ASN 57 20.551 27.147 7.433 145 HD21 ASN 57 HD21 ASN 57 20.580 28.095 9.647 146 HD22 ASN 57 HD22 ASN 57 21.859 27.730 10.702 147 H SER 58 H SER 58 23.722 24.258 6.592 148 HA SER 58 HA SER 58 21.747 22.256 6.503 149 HB2 SER 58 HB2 SER 58 24.166 21.915 5.993 150 HB3 SER 58 HB3 SER 58 24.511 22.051 7.713 151 HG SER 58 HG SER 58 23.253 20.053 6.324 152 H TYR 59 H TYR 59 23.245 23.938 9.226 153 HA TYR 59 HA TYR 59 21.473 22.431 11.068 154 HB2 TYR 59 HB2 TYR 59 23.864 21.874 11.344 155 HB3 TYR 59 HB3 TYR 59 24.211 23.566 11.637 156 HD1 TYR 59 HD1 TYR 59 22.549 20.541 12.968 157 HD2 TYR 59 HD2 TYR 59 23.743 24.589 13.769 158 HE1 TYR 59 HE1 TYR 59 22.074 20.205 15.378 159 HE2 TYR 59 HE2 TYR 59 23.268 24.253 16.179 160 HH TYR 59 HH TYR 59 22.883 21.335 17.567 161 H GLN 60 H GLN 60 20.251 23.564 12.458 162 HA GLN 60 HA GLN 60 20.521 26.515 12.457 163 HB2 GLN 60 HB2 GLN 60 18.082 24.773 12.894 164 HB3 GLN 60 HB3 GLN 60 18.107 26.530 13.052 165 HG2 GLN 60 HG2 GLN 60 18.767 26.769 10.714 166 HG3 GLN 60 HG3 GLN 60 18.862 25.019 10.536 167 HE21 GLN 60 HE21 GLN 60 17.121 26.623 8.908 168 HE22 GLN 60 HE22 GLN 60 15.518 26.224 9.301 169 H ASN 61 H ASN 61 20.496 27.601 14.415 170 HA ASN 61 HA ASN 61 20.767 25.894 16.827 171 HB2 ASN 61 HB2 ASN 61 22.848 27.077 15.989 172 HB3 ASN 61 HB3 ASN 61 22.049 28.592 16.398 173 HD21 ASN 61 HD21 ASN 61 24.430 27.900 17.729 174 HD22 ASN 61 HD22 ASN 61 24.080 27.516 19.346 175 H ARG 62 H ARG 62 18.515 26.080 17.279 176 HA ARG 62 HA ARG 62 17.914 28.594 18.686 177 HB2 ARG 62 HB2 ARG 62 16.021 27.138 16.824 178 HB3 ARG 62 HB3 ARG 62 15.552 28.448 17.909 179 HG2 ARG 62 HG2 ARG 62 17.248 29.913 16.793 180 HG3 ARG 62 HG3 ARG 62 17.553 28.616 15.639 181 HD2 ARG 62 HD2 ARG 62 14.905 30.018 16.093 182 HD3 ARG 62 HD3 ARG 62 15.955 30.206 14.692 183 HE ARG 62 HE ARG 62 14.226 27.933 15.291 184 HH11 ARG 62 HH11 ARG 62 16.818 29.181 13.278 185 HH12 ARG 62 HH12 ARG 62 16.551 28.005 12.034 186 HH21 ARG 62 HH21 ARG 62 13.929 26.448 13.657 187 HH22 ARG 62 HH22 ARG 62 14.935 26.478 12.248 188 H LEU 63 H LEU 63 16.500 28.330 20.499 189 HA LEU 63 HA LEU 63 16.476 25.559 21.513 190 HB2 LEU 63 HB2 LEU 63 17.583 27.332 22.880 191 HB3 LEU 63 HB3 LEU 63 16.025 28.146 23.019 192 HG LEU 63 HG LEU 63 15.102 25.974 23.964 193 HD11 LEU 63 HD11 LEU 63 16.946 24.524 24.999 194 HD12 LEU 63 HD12 LEU 63 18.057 25.337 23.898 195 HD13 LEU 63 HD13 LEU 63 16.724 24.377 23.256 196 HD21 LEU 63 HD21 LEU 63 17.374 27.212 25.544 197 HD22 LEU 63 HD22 LEU 63 15.929 26.439 26.194 198 HD23 LEU 63 HD23 LEU 63 15.797 27.973 25.334 199 H PHE 64 H PHE 64 14.624 24.470 21.432 200 HA PHE 64 HA PHE 64 12.100 25.935 21.119 201 HB2 PHE 64 HB2 PHE 64 12.764 23.004 20.835 202 HB3 PHE 64 HB3 PHE 64 11.165 23.689 20.610 203 HD1 PHE 64 HD1 PHE 64 10.718 25.215 18.692 204 HD2 PHE 64 HD2 PHE 64 14.475 23.188 19.166 205 HE1 PHE 64 HE1 PHE 64 11.270 25.685 16.321 206 HE2 PHE 64 HE2 PHE 64 15.027 23.658 16.795 207 HZ PHE 64 HZ PHE 64 13.425 24.906 15.372 208 H TYR 65 H TYR 65 10.687 26.166 22.749 209 HA TYR 65 HA TYR 65 10.838 24.268 25.028 210 HB2 TYR 65 HB2 TYR 65 11.557 26.666 25.498 211 HB3 TYR 65 HB3 TYR 65 9.895 27.130 25.181 212 HD1 TYR 65 HD2 TYR 65 12.143 25.259 27.435 213 HD2 TYR 65 HD1 TYR 65 8.139 26.677 26.789 214 HE1 TYR 65 HE2 TYR 65 11.573 24.719 29.785 215 HE2 TYR 65 HE1 TYR 65 7.570 26.136 29.143 216 HH TYR 65 HH TYR 65 8.353 25.273 31.061 217 H THR 66 H THR 66 8.875 23.455 25.779 218 HA THR 66 HA THR 66 6.567 23.975 23.989 219 HB THR 66 HB THR 66 7.156 21.472 25.584 220 HG1 THR 66 HG1 THR 66 7.926 20.714 23.700 221 HG21 THR 66 HG21 THR 66 5.378 20.499 24.261 222 HG22 THR 66 HG22 THR 66 5.226 21.972 23.302 223 HG23 THR 66 HG23 THR 66 4.762 21.976 25.003 224 H LEU 67 H LEU 67 4.587 24.367 24.829 225 HA LEU 67 HA LEU 67 4.427 25.117 27.631 226 HB2 LEU 67 HB2 LEU 67 2.454 25.261 25.340 227 HB3 LEU 67 HB3 LEU 67 2.115 25.854 26.963 228 HG LEU 67 HG LEU 67 4.467 26.779 25.290 229 HD11 LEU 67 HD11 LEU 67 1.642 27.776 25.536 230 HD12 LEU 67 HD12 LEU 67 2.654 27.648 24.097 231 HD13 LEU 67 HD13 LEU 67 2.951 28.928 25.273 232 HD21 LEU 67 HD21 LEU 67 4.144 28.731 27.032 233 HD22 LEU 67 HD22 LEU 67 4.992 27.264 27.518 234 HD23 LEU 67 HD23 LEU 67 3.304 27.496 27.970 235 H LYS 68 H LYS 68 3.591 23.911 29.204 236 HA LYS 68 HA LYS 68 1.960 21.543 28.487 237 HB2 LYS 68 HB2 LYS 68 4.288 20.933 29.157 238 HB3 LYS 68 HB3 LYS 68 3.999 21.703 30.718 239 HG2 LYS 68 HG2 LYS 68 2.160 20.166 31.181 240 HG3 LYS 68 HG3 LYS 68 2.337 19.435 29.585 241 HD2 LYS 68 HD2 LYS 68 3.464 18.006 31.176 242 HD3 LYS 68 HD3 LYS 68 4.698 18.818 30.211 243 HE2 LYS 68 HE2 LYS 68 5.148 20.401 31.961 244 HE3 LYS 68 HE3 LYS 68 3.744 19.867 32.885 245 HZ1 LYS 68 HZ1 LYS 68 4.756 17.864 33.419 246 HZ2 LYS 68 HZ2 LYS 68 6.026 18.985 33.556 247 HZ3 LYS 68 HZ3 LYS 68 5.911 17.990 32.183 248 H THR 69 H THR 69 0.269 21.034 29.875 249 HA THR 69 HA THR 69 -1.120 23.119 31.063 250 HB THR 69 HB THR 69 -2.188 21.013 30.451 251 HG1 THR 69 HG1 THR 69 -3.319 21.998 31.980 252 HG21 THR 69 HG21 THR 69 -0.242 19.581 31.180 253 HG22 THR 69 HG22 THR 69 -1.818 18.976 31.691 254 HG23 THR 69 HG23 THR 69 -0.777 19.809 32.845 255 H GLY 70 H GLY 70 -1.167 24.071 33.011 256 HA2 GLY 70 HA2 GLY 70 -0.879 24.023 35.415 257 HA3 GLY 70 HA3 GLY 70 0.497 22.953 35.185 258 H GLU 71 H GLU 71 1.479 24.656 32.887 259 HA GLU 71 HA GLU 71 2.690 26.788 34.538 260 HB2 GLU 71 HB2 GLU 71 4.205 25.069 33.509 261 HB3 GLU 71 HB3 GLU 71 3.695 25.645 31.922 262 HG2 GLU 71 HG2 GLU 71 4.452 27.935 32.549 263 HG3 GLU 71 HG3 GLU 71 5.044 27.296 34.075 264 H THR 72 H THR 72 2.740 28.896 33.807 265 HA THR 72 HA THR 72 1.040 29.505 31.455 266 HB THR 72 HB THR 72 0.513 31.626 32.527 267 HG1 THR 72 HG1 THR 72 1.700 32.276 34.094 268 HG21 THR 72 HG21 THR 72 -0.888 30.810 34.281 269 HG22 THR 72 HG22 THR 72 0.190 29.452 34.604 270 HG23 THR 72 HG23 THR 72 -0.754 29.493 33.115 271 H VAL 73 H VAL 73 1.639 31.512 30.296 272 HA VAL 73 HA VAL 73 4.289 31.413 29.396 273 HB VAL 73 HB VAL 73 2.344 33.729 29.206 274 HG11 VAL 73 HG11 VAL 73 4.788 32.990 27.569 275 HG12 VAL 73 HG12 VAL 73 4.614 34.405 28.608 276 HG13 VAL 73 HG13 VAL 73 3.644 34.261 27.142 277 HG21 VAL 73 HG21 VAL 73 1.327 31.718 28.317 278 HG22 VAL 73 HG22 VAL 73 2.805 31.300 27.452 279 HG23 VAL 73 HG23 VAL 73 1.860 32.703 26.955 280 H ALA 74 H ALA 74 2.739 33.609 31.726 281 HA ALA 74 HA ALA 74 4.954 35.307 32.115 282 HB1 ALA 74 HB1 ALA 74 3.139 34.756 34.412 283 HB2 ALA 74 HB2 ALA 74 2.419 35.412 32.941 284 HB3 ALA 74 HB3 ALA 74 3.705 36.296 33.762 285 H ASP 75 H ASP 75 4.018 32.268 33.690 286 HA ASP 75 HA ASP 75 5.888 32.358 35.799 287 HB2 ASP 75 HB2 ASP 75 4.670 29.989 34.365 288 HB3 ASP 75 HB3 ASP 75 5.594 29.880 35.859 289 H LEU 76 H LEU 76 6.105 30.956 32.541 290 HA LEU 76 HA LEU 76 8.668 29.832 32.791 291 HB2 LEU 76 HB2 LEU 76 7.102 29.387 30.909 292 HB3 LEU 76 HB3 LEU 76 7.410 31.013 30.301 293 HG LEU 76 HG LEU 76 9.881 30.396 30.248 294 HD11 LEU 76 HD11 LEU 76 10.296 27.910 30.115 295 HD12 LEU 76 HD12 LEU 76 8.667 27.666 30.746 296 HD13 LEU 76 HD13 LEU 76 9.881 28.486 31.729 297 HD21 LEU 76 HD21 LEU 76 9.669 29.202 28.123 298 HD22 LEU 76 HD22 LEU 76 8.411 30.432 28.236 299 HD23 LEU 76 HD23 LEU 76 8.016 28.737 28.524 300 H SER 77 H SER 77 7.640 33.067 31.765 301 HA SER 77 HA SER 77 10.156 34.049 30.993 302 HB2 SER 77 HB2 SER 77 7.921 35.136 30.572 303 HB3 SER 77 HB3 SER 77 7.927 35.654 32.254 304 HG SER 77 HG SER 77 9.450 37.032 31.764 305 H LYS 78 H LYS 78 8.557 34.030 34.155 306 HA LYS 78 HA LYS 78 10.427 35.647 35.508 307 HB2 LYS 78 HB2 LYS 78 8.168 35.041 36.370 308 HB3 LYS 78 HB3 LYS 78 8.752 33.403 36.659 309 HG2 LYS 78 HG2 LYS 78 8.975 34.515 38.747 310 HG3 LYS 78 HG3 LYS 78 10.605 34.484 38.075 311 HD2 LYS 78 HD2 LYS 78 10.351 36.780 37.268 312 HD3 LYS 78 HD3 LYS 78 8.682 36.819 37.840 313 HE2 LYS 78 HE2 LYS 78 11.041 36.297 39.664 314 HE3 LYS 78 HE3 LYS 78 10.366 37.904 39.396 315 HZ1 LYS 78 HZ1 LYS 78 8.204 36.306 39.921 316 HZ2 LYS 78 HZ2 LYS 78 8.920 37.418 40.986 317 HZ3 LYS 78 HZ3 LYS 78 9.382 35.784 41.024 318 H SER 79 H SER 79 10.222 32.113 35.164 319 HA SER 79 HA SER 79 12.412 31.474 36.812 320 HB2 SER 79 HB2 SER 79 10.707 29.847 35.965 321 HB3 SER 79 HB3 SER 79 11.467 29.944 34.379 322 HG SER 79 HG SER 79 12.176 28.450 36.361 323 H GLN 80 H GLN 80 12.229 32.089 33.327 324 HA GLN 80 HA GLN 80 15.025 31.647 32.879 325 HB2 GLN 80 HB2 GLN 80 12.902 32.955 31.174 326 HB3 GLN 80 HB3 GLN 80 14.542 32.598 30.630 327 HG2 GLN 80 HG2 GLN 80 14.202 30.216 31.059 328 HG3 GLN 80 HG3 GLN 80 12.593 30.538 31.702 329 HE21 GLN 80 HE21 GLN 80 12.995 28.795 29.462 330 HE22 GLN 80 HE22 GLN 80 12.308 29.524 28.092 331 H ASP 81 H ASP 81 13.400 34.295 34.267 332 HA ASP 81 HA ASP 81 14.032 36.444 34.754 333 HB2 ASP 81 HB2 ASP 81 16.095 35.225 35.519 334 HB3 ASP 81 HB3 ASP 81 16.808 35.557 33.942 335 H ILE 82 H ILE 82 12.954 35.995 32.237 336 HA ILE 82 HA ILE 82 14.442 37.904 30.527 337 HB ILE 82 HB ILE 82 12.442 35.789 29.676 338 HG12 ILE 82 HG12 ILE 82 15.447 35.884 29.263 339 HG13 ILE 82 HG13 ILE 82 14.651 34.897 30.489 340 HG21 ILE 82 HG21 ILE 82 13.144 36.395 27.406 341 HG22 ILE 82 HG22 ILE 82 14.261 37.597 28.053 342 HG23 ILE 82 HG23 ILE 82 12.521 37.819 28.238 343 HD11 ILE 82 HD11 ILE 82 14.927 33.421 28.663 344 HD12 ILE 82 HD12 ILE 82 14.476 34.655 27.487 345 HD13 ILE 82 HD13 ILE 82 13.249 33.946 28.536 346 H ASN 83 H ASN 83 13.280 39.598 29.585 347 HA ASN 83 HA ASN 83 10.972 40.457 31.094 348 HB2 ASN 83 HB2 ASN 83 12.405 41.700 28.736 349 HB3 ASN 83 HB3 ASN 83 11.109 42.474 29.645 350 HD21 ASN 83 HD21 ASN 83 13.825 43.516 29.480 351 HD22 ASN 83 HD22 ASN 83 14.474 43.477 31.048 352 H LEU 84 H LEU 84 8.871 40.460 30.477 353 HA LEU 84 HA LEU 84 7.953 38.679 28.525 354 HB2 LEU 84 HB2 LEU 84 6.511 41.078 29.682 355 HB3 LEU 84 HB3 LEU 84 5.751 39.722 28.851 356 HG LEU 84 HG LEU 84 7.403 39.479 31.383 357 HD11 LEU 84 HD11 LEU 84 4.453 39.756 30.867 358 HD12 LEU 84 HD12 LEU 84 5.437 40.525 32.111 359 HD13 LEU 84 HD13 LEU 84 5.016 38.818 32.250 360 HD21 LEU 84 HD21 LEU 84 5.771 37.525 29.741 361 HD22 LEU 84 HD22 LEU 84 6.272 37.195 31.398 362 HD23 LEU 84 HD23 LEU 84 7.485 37.424 30.139 363 H SER 85 H SER 85 8.584 42.158 28.322 364 HA SER 85 HA SER 85 7.376 42.642 25.829 365 HB2 SER 85 HB2 SER 85 8.240 44.399 27.399 366 HB3 SER 85 HB3 SER 85 9.875 43.960 26.914 367 HG SER 85 HG SER 85 8.150 45.504 25.666 368 H THR 86 H THR 86 10.655 41.562 26.667 369 HA THR 86 HA THR 86 11.726 41.620 24.058 370 HB THR 86 HB THR 86 12.470 39.735 26.307 371 HG1 THR 86 HG1 THR 86 13.344 42.313 25.720 372 HG21 THR 86 HG21 THR 86 14.737 39.967 25.179 373 HG22 THR 86 HG22 THR 86 13.895 40.732 23.831 374 HG23 THR 86 HG23 THR 86 13.529 39.063 24.266 375 H ILE 87 H ILE 87 10.089 39.036 25.861 376 HA ILE 87 HA ILE 87 10.472 36.963 24.011 377 HB ILE 87 HB ILE 87 8.105 37.395 25.855 378 HG12 ILE 87 HG12 ILE 87 10.667 35.839 26.318 379 HG13 ILE 87 HG13 ILE 87 10.366 37.453 26.961 380 HG21 ILE 87 HG21 ILE 87 7.780 35.651 24.099 381 HG22 ILE 87 HG22 ILE 87 7.846 34.967 25.723 382 HG23 ILE 87 HG23 ILE 87 9.248 34.850 24.660 383 HD11 ILE 87 HD11 ILE 87 9.781 35.902 28.698 384 HD12 ILE 87 HD12 ILE 87 8.840 34.913 27.581 385 HD13 ILE 87 HD13 ILE 87 8.266 36.518 28.036 386 H TRP 88 H TRP 88 7.834 39.319 24.314 387 HA TRP 88 HA TRP 88 6.248 38.393 22.197 388 HB2 TRP 88 HB2 TRP 88 5.492 40.048 23.842 389 HB3 TRP 88 HB3 TRP 88 6.612 41.224 23.181 390 HD1 TRP 88 HD1 TRP 88 3.830 38.965 21.695 391 HE1 TRP 88 HE1 TRP 88 2.415 40.402 20.092 392 HE3 TRP 88 HE3 TRP 88 6.259 43.434 22.143 393 HZ2 TRP 88 HZ2 TRP 88 2.324 43.096 19.124 394 HZ3 TRP 88 HZ3 TRP 88 5.489 45.415 20.873 395 HH2 TRP 88 HH2 TRP 88 3.528 45.255 19.367 396 H SER 89 H SER 89 8.857 40.834 22.170 397 HA SER 89 HA SER 89 8.563 41.702 19.550 398 HB2 SER 89 HB2 SER 89 10.837 42.495 19.695 399 HB3 SER 89 HB3 SER 89 10.080 42.698 21.270 400 HG SER 89 HG SER 89 11.427 41.275 22.009 401 H LEU 90 H LEU 90 10.374 38.894 20.762 402 HA LEU 90 HA LEU 90 11.441 38.189 18.206 403 HB2 LEU 90 HB2 LEU 90 11.041 36.476 20.670 404 HB3 LEU 90 HB3 LEU 90 12.063 36.076 19.290 405 HG LEU 90 HG LEU 90 12.420 38.533 21.033 406 HD11 LEU 90 HD11 LEU 90 14.284 36.172 20.935 407 HD12 LEU 90 HD12 LEU 90 12.884 36.145 22.008 408 HD13 LEU 90 HD13 LEU 90 14.114 37.398 22.192 409 HD21 LEU 90 HD21 LEU 90 14.680 38.514 19.850 410 HD22 LEU 90 HD22 LEU 90 13.300 38.938 18.836 411 HD23 LEU 90 HD23 LEU 90 13.996 37.319 18.748 412 H ASN 91 H ASN 91 8.755 36.817 20.129 413 HA ASN 91 HA ASN 91 8.079 35.022 17.952 414 HB2 ASN 91 HB2 ASN 91 6.882 35.413 20.693 415 HB3 ASN 91 HB3 ASN 91 6.339 34.198 19.537 416 HD21 ASN 91 HD21 ASN 91 9.465 35.324 20.978 417 HD22 ASN 91 HD22 ASN 91 10.108 33.759 21.129 418 H LYS 92 H LYS 92 7.373 38.198 18.281 419 HA LYS 92 HA LYS 92 4.669 38.512 17.992 420 HB2 LYS 92 HB2 LYS 92 5.137 40.568 16.820 421 HB3 LYS 92 HB3 LYS 92 6.343 40.342 18.083 422 HG2 LYS 92 HG2 LYS 92 7.898 39.395 16.363 423 HG3 LYS 92 HG3 LYS 92 6.702 39.784 15.124 424 HD2 LYS 92 HD2 LYS 92 6.781 42.184 15.983 425 HD3 LYS 92 HD3 LYS 92 8.201 41.706 16.915 426 HE2 LYS 92 HE2 LYS 92 8.009 41.216 13.941 427 HE3 LYS 92 HE3 LYS 92 8.641 42.724 14.599 428 HZ1 LYS 92 HZ1 LYS 92 9.679 40.160 15.592 429 HZ2 LYS 92 HZ2 LYS 92 10.442 41.677 15.524 430 HZ3 LYS 92 HZ3 LYS 92 10.236 40.761 14.107 431 H HIS 93 H HIS 93 6.876 37.143 15.628 432 HA HIS 93 HA HIS 93 5.013 37.329 13.448 433 HB2 HIS 93 HB2 HIS 93 6.589 36.115 12.174 434 HB3 HIS 93 HB3 HIS 93 7.494 37.217 13.187 435 HD1 HIS 93 HD1 HIS 93 8.837 36.103 15.221 436 HD2 HIS 93 HD2 HIS 93 7.161 33.413 12.511 437 HE1 HIS 93 HE1 HIS 93 9.980 33.887 15.616 438 H LEU 94 H LEU 94 5.815 34.874 15.856 439 HA LEU 94 HA LEU 94 4.388 32.741 14.630 440 HB2 LEU 94 HB2 LEU 94 5.050 33.165 17.553 441 HB3 LEU 94 HB3 LEU 94 4.556 31.642 16.815 442 HG LEU 94 HG LEU 94 7.028 33.212 16.034 443 HD11 LEU 94 HD11 LEU 94 7.018 30.548 17.429 444 HD12 LEU 94 HD12 LEU 94 6.882 32.032 18.370 445 HD13 LEU 94 HD13 LEU 94 8.300 31.757 17.357 446 HD21 LEU 94 HD21 LEU 94 5.905 30.519 15.215 447 HD22 LEU 94 HD22 LEU 94 7.577 30.991 14.912 448 HD23 LEU 94 HD23 LEU 94 6.256 31.897 14.172 449 H TYR 95 H TYR 95 3.485 35.164 17.057 450 HA TYR 95 HA TYR 95 0.687 34.198 16.908 451 HB2 TYR 95 HB2 TYR 95 2.090 35.741 19.091 452 HB3 TYR 95 HB3 TYR 95 0.395 35.293 19.098 453 HD1 TYR 95 HD2 TYR 95 -0.237 32.852 19.174 454 HD2 TYR 95 HD1 TYR 95 3.795 34.217 19.745 455 HE1 TYR 95 HE2 TYR 95 0.353 30.677 20.208 456 HE2 TYR 95 HE1 TYR 95 4.385 32.042 20.780 457 HH TYR 95 HH TYR 95 3.490 29.706 20.762 458 H SER 96 H SER 96 -0.990 35.703 16.738 459 HA SER 96 HA SER 96 -0.411 37.858 14.966 460 HB2 SER 96 HB2 SER 96 -2.989 37.233 16.422 461 HB3 SER 96 HB3 SER 96 -2.809 38.278 15.017 462 HG SER 96 HG SER 96 -3.240 36.373 14.149 463 H SER 97 H SER 97 -1.307 37.688 18.398 464 HA SER 97 HA SER 97 -0.349 40.409 18.783 465 HB2 SER 97 HB2 SER 97 -2.407 41.282 19.673 466 HB3 SER 97 HB3 SER 97 -2.747 40.628 18.075 467 HG SER 97 HG SER 97 -4.114 39.435 19.101 468 H GLU 98 H GLU 98 -0.585 41.056 21.133 469 HA GLU 98 HA GLU 98 0.668 39.146 22.778 470 HB2 GLU 98 HB2 GLU 98 -0.786 41.696 23.508 471 HB3 GLU 98 HB3 GLU 98 0.243 40.776 24.607 472 HG2 GLU 98 HG2 GLU 98 2.134 41.045 23.018 473 HG3 GLU 98 HG3 GLU 98 1.106 42.032 21.988 474 H SER 99 H SER 99 -2.736 40.009 22.391 475 HA SER 99 HA SER 99 -3.772 38.930 24.748 476 HB2 SER 99 HB2 SER 99 -5.048 40.279 23.065 477 HB3 SER 99 HB3 SER 99 -5.093 38.858 22.028 478 HG SER 99 HG SER 99 -6.835 39.308 23.682 479 H GLU 100 H GLU 100 -3.096 37.347 21.639 480 HA GLU 100 HA GLU 100 -4.162 34.826 22.301 481 HB2 GLU 100 HB2 GLU 100 -1.962 35.590 20.375 482 HB3 GLU 100 HB3 GLU 100 -2.683 33.981 20.468 483 HG2 GLU 100 HG2 GLU 100 -4.919 34.986 20.061 484 HG3 GLU 100 HG3 GLU 100 -4.161 36.563 19.892 485 H MET 101 H MET 101 -0.982 36.248 22.924 486 HA MET 101 HA MET 101 0.297 33.881 23.808 487 HB2 MET 101 HB2 MET 101 0.777 36.773 24.561 488 HB3 MET 101 HB3 MET 101 1.857 35.439 24.967 489 HG2 MET 101 HG2 MET 101 2.021 34.912 22.514 490 HG3 MET 101 HG3 MET 101 1.099 36.379 22.188 491 HE1 MET 101 HE1 MET 101 5.339 35.970 23.862 492 HE2 MET 101 HE2 MET 101 4.232 34.700 23.343 493 HE3 MET 101 HE3 MET 101 3.952 35.536 24.869 494 H MET 102 H MET 102 -1.478 36.411 25.572 495 HA MET 102 HA MET 102 -1.073 35.408 28.164 496 HB2 MET 102 HB2 MET 102 -3.439 36.942 27.056 497 HB3 MET 102 HB3 MET 102 -3.083 36.728 28.766 498 HG2 MET 102 HG2 MET 102 -1.294 38.116 26.749 499 HG3 MET 102 HG3 MET 102 -2.283 38.917 27.965 500 HE1 MET 102 HE1 MET 102 -0.764 37.968 31.303 501 HE2 MET 102 HE2 MET 102 -1.905 36.882 30.515 502 HE3 MET 102 HE3 MET 102 -2.123 38.626 30.382 503 H LYS 103 H LYS 103 -3.513 34.612 25.742 504 HA LYS 103 HA LYS 103 -4.882 32.799 27.580 505 HB2 LYS 103 HB2 LYS 103 -5.455 33.399 24.673 506 HB3 LYS 103 HB3 LYS 103 -6.495 32.509 25.782 507 HG2 LYS 103 HG2 LYS 103 -5.646 35.397 26.152 508 HG3 LYS 103 HG3 LYS 103 -7.207 34.879 25.515 509 HD2 LYS 103 HD2 LYS 103 -7.566 33.594 27.654 510 HD3 LYS 103 HD3 LYS 103 -6.101 34.349 28.285 511 HE2 LYS 103 HE2 LYS 103 -8.501 35.879 27.251 512 HE3 LYS 103 HE3 LYS 103 -8.169 35.571 28.955 513 HZ1 LYS 103 HZ1 LYS 103 -7.209 37.653 27.428 514 HZ2 LYS 103 HZ2 LYS 103 -5.880 36.619 27.650 515 HZ3 LYS 103 HZ3 LYS 103 -6.719 37.228 28.995 516 H ALA 104 H ALA 104 -2.062 32.316 26.225 517 HA ALA 104 HA ALA 104 -2.212 30.205 24.435 518 HB1 ALA 104 HB1 ALA 104 0.023 29.515 25.525 519 HB2 ALA 104 HB2 ALA 104 -0.195 30.939 26.543 520 HB3 ALA 104 HB3 ALA 104 -0.076 31.117 24.792 521 H ALA 105 H ALA 105 -2.253 27.992 24.611 522 HA ALA 105 HA ALA 105 -2.985 26.859 27.244 523 HB1 ALA 105 HB1 ALA 105 -4.783 25.696 26.357 524 HB2 ALA 105 HB2 ALA 105 -4.147 25.756 24.714 525 HB3 ALA 105 HB3 ALA 105 -4.867 27.197 25.433 526 HA PRO 106 HA PRO 106 -0.034 23.667 26.651 527 HB2 PRO 106 HB2 PRO 106 -2.070 21.501 26.650 528 HB3 PRO 106 HB3 PRO 106 -0.683 21.753 27.727 529 HG2 PRO 106 HG2 PRO 106 -3.178 22.188 28.541 530 HG3 PRO 106 HG3 PRO 106 -1.826 23.195 29.090 531 HD2 PRO 106 HD2 PRO 106 -3.940 23.831 27.067 532 HD3 PRO 106 HD3 PRO 106 -3.151 24.898 28.250 533 H GLY 107 H GLY 107 0.997 22.528 25.029 534 HA2 GLY 107 HA2 GLY 107 1.006 21.100 23.105 535 HA3 GLY 107 HA3 GLY 107 -0.571 21.731 22.665 536 H GLN 108 H GLN 108 0.761 24.533 23.384 537 HA GLN 108 HA GLN 108 1.554 25.008 20.618 538 HB2 GLN 108 HB2 GLN 108 1.080 26.884 22.938 539 HB3 GLN 108 HB3 GLN 108 1.588 27.412 21.331 540 HG2 GLN 108 HG2 GLN 108 -0.412 26.309 20.357 541 HG3 GLN 108 HG3 GLN 108 -0.936 25.864 21.981 542 HE21 GLN 108 HE21 GLN 108 -0.715 28.514 19.687 543 HE22 GLN 108 HE22 GLN 108 -1.525 29.656 20.647 544 H GLN 109 H GLN 109 3.497 26.167 20.066 545 HA GLN 109 HA GLN 109 5.741 25.425 21.849 546 HB2 GLN 109 HB2 GLN 109 5.640 25.736 18.842 547 HB3 GLN 109 HB3 GLN 109 7.103 25.400 19.771 548 HG2 GLN 109 HG2 GLN 109 6.133 23.322 20.613 549 HG3 GLN 109 HG3 GLN 109 4.619 23.662 19.778 550 HE21 GLN 109 HE21 GLN 109 6.127 21.281 19.250 551 HE22 GLN 109 HE22 GLN 109 6.715 21.369 17.660 552 H ILE 110 H ILE 110 7.405 26.839 22.189 553 HA ILE 110 HA ILE 110 7.097 29.605 21.189 554 HB ILE 110 HB ILE 110 8.120 28.706 23.900 555 HG12 ILE 110 HG12 ILE 110 5.624 30.269 23.180 556 HG13 ILE 110 HG13 ILE 110 5.635 28.544 23.546 557 HG21 ILE 110 HG21 ILE 110 9.269 30.715 23.078 558 HG22 ILE 110 HG22 ILE 110 8.177 31.131 24.398 559 HG23 ILE 110 HG23 ILE 110 7.717 31.477 22.730 560 HD11 ILE 110 HD11 ILE 110 6.546 29.002 25.779 561 HD12 ILE 110 HD12 ILE 110 5.045 29.897 25.537 562 HD13 ILE 110 HD13 ILE 110 6.595 30.729 25.420 563 H ILE 111 H ILE 111 8.940 30.546 20.361 564 HA ILE 111 HA ILE 111 11.323 28.797 20.200 565 HB ILE 111 HB ILE 111 10.538 31.088 18.380 566 HG12 ILE 111 HG12 ILE 111 10.416 28.098 17.875 567 HG13 ILE 111 HG13 ILE 111 9.011 29.089 18.269 568 HG21 ILE 111 HG21 ILE 111 12.969 30.646 18.507 569 HG22 ILE 111 HG22 ILE 111 12.322 30.171 16.937 570 HG23 ILE 111 HG23 ILE 111 12.678 28.943 18.152 571 HD11 ILE 111 HD11 ILE 111 10.785 29.282 15.827 572 HD12 ILE 111 HD12 ILE 111 9.648 30.553 16.279 573 HD13 ILE 111 HD13 ILE 111 9.055 28.940 15.884 574 H LEU 112 H LEU 112 13.170 29.430 21.073 575 HA LEU 112 HA LEU 112 13.450 32.227 21.999 576 HB2 LEU 112 HB2 LEU 112 14.450 29.615 23.116 577 HB3 LEU 112 HB3 LEU 112 15.173 31.158 23.572 578 HG LEU 112 HG LEU 112 12.191 30.767 23.711 579 HD11 LEU 112 HD11 LEU 112 14.282 29.955 25.744 580 HD12 LEU 112 HD12 LEU 112 13.010 28.950 25.046 581 HD13 LEU 112 HD13 LEU 112 12.595 30.246 26.169 582 HD21 LEU 112 HD21 LEU 112 14.192 32.529 25.161 583 HD22 LEU 112 HD22 LEU 112 12.457 32.511 25.477 584 HD23 LEU 112 HD23 LEU 112 13.063 33.047 23.910 585 HA PRO 113 HA PRO 113 16.848 31.657 18.943 586 HB2 PRO 113 HB2 PRO 113 16.895 34.162 17.919 587 HB3 PRO 113 HB3 PRO 113 15.710 32.949 17.393 588 HG2 PRO 113 HG2 PRO 113 15.369 35.249 19.234 589 HG3 PRO 113 HG3 PRO 113 14.241 34.568 18.049 590 HD2 PRO 113 HD2 PRO 113 14.143 34.079 20.784 591 HD3 PRO 113 HD3 PRO 113 13.392 33.057 19.540 592 H LEU 114 H LEU 114 18.556 31.454 20.360 593 HA LEU 114 HA LEU 114 19.382 33.302 22.290 594 HB2 LEU 114 HB2 LEU 114 20.147 30.936 22.142 595 HB3 LEU 114 HB3 LEU 114 21.141 31.378 20.753 596 HG LEU 114 HG LEU 114 22.240 33.127 22.226 597 HD11 LEU 114 HD11 LEU 114 20.716 33.434 24.003 598 HD12 LEU 114 HD12 LEU 114 22.015 32.487 24.732 599 HD13 LEU 114 HD13 LEU 114 20.514 31.699 24.246 600 HD21 LEU 114 HD21 LEU 114 23.539 31.199 21.854 601 HD22 LEU 114 HD22 LEU 114 22.423 30.164 22.744 602 HD23 LEU 114 HD23 LEU 114 23.464 31.290 23.614 603 H LYS 115 H LYS 115 20.222 33.043 18.859 604 HA LYS 115 HA LYS 115 22.155 35.208 19.052 605 HB2 LYS 115 HB2 LYS 115 21.095 33.651 16.681 606 HB3 LYS 115 HB3 LYS 115 22.365 34.872 16.593 607 HG2 LYS 115 HG2 LYS 115 23.700 33.554 18.237 608 HG3 LYS 115 HG3 LYS 115 22.458 32.300 18.195 609 HD2 LYS 115 HD2 LYS 115 22.807 32.096 15.730 610 HD3 LYS 115 HD3 LYS 115 24.134 33.251 15.854 611 HE2 LYS 115 HE2 LYS 115 25.211 31.713 17.538 612 HE3 LYS 115 HE3 LYS 115 23.959 30.528 17.168 613 HZ1 LYS 115 HZ1 LYS 115 25.521 29.898 15.672 614 HZ2 LYS 115 HZ2 LYS 115 26.191 31.454 15.527 615 HZ3 LYS 115 HZ3 LYS 115 24.742 31.072 14.727 616 H LYS 116 H LYS 116 21.829 37.288 18.510 617 HA LYS 116 HA LYS 116 19.093 38.080 17.735 618 HB2 LYS 116 HB2 LYS 116 21.324 39.652 19.044 619 HB3 LYS 116 HB3 LYS 116 19.753 40.318 18.596 620 HG2 LYS 116 HG2 LYS 116 18.656 38.611 20.047 621 HG3 LYS 116 HG3 LYS 116 20.252 38.063 20.560 622 HD2 LYS 116 HD2 LYS 116 20.742 40.377 21.364 623 HD3 LYS 116 HD3 LYS 116 19.085 40.832 20.961 624 HE2 LYS 116 HE2 LYS 116 18.264 39.033 22.488 625 HE3 LYS 116 HE3 LYS 116 19.932 38.714 22.957 626 HZ1 LYS 116 HZ1 LYS 116 18.312 40.479 24.173 627 HZ2 LYS 116 HZ2 LYS 116 19.163 41.489 23.104 628 HZ3 LYS 116 HZ3 LYS 116 20.008 40.534 24.228 629 H LEU 117 H LEU 117 18.791 39.681 16.128 630 HA LEU 117 HA LEU 117 21.069 40.024 14.262 631 HB2 LEU 117 HB2 LEU 117 19.111 38.417 13.614 632 HB3 LEU 117 HB3 LEU 117 18.221 39.911 13.321 633 HG LEU 117 HG LEU 117 20.253 40.645 11.921 634 HD11 LEU 117 HD11 LEU 117 20.852 37.743 12.446 635 HD12 LEU 117 HD12 LEU 117 21.950 39.123 12.464 636 HD13 LEU 117 HD13 LEU 117 21.358 38.486 10.929 637 HD21 LEU 117 HD21 LEU 117 18.757 38.227 10.878 638 HD22 LEU 117 HD22 LEU 117 19.348 39.609 9.957 639 HD23 LEU 117 HD23 LEU 117 17.996 39.806 11.071 640 HA PRO 118 HA PRO 118 19.771 44.245 15.764 641 HB2 PRO 118 HB2 PRO 118 22.204 44.807 14.111 642 HB3 PRO 118 HB3 PRO 118 21.719 45.493 15.675 643 HG2 PRO 118 HG2 PRO 118 23.603 43.626 15.503 644 HG3 PRO 118 HG3 PRO 118 22.464 43.680 16.860 645 HD2 PRO 118 HD2 PRO 118 22.585 41.761 14.599 646 HD3 PRO 118 HD3 PRO 118 21.921 41.544 16.232 647 H PHE 119 H PHE 119 20.860 43.297 12.512 648 HA PHE 119 HA PHE 119 18.988 45.261 11.335 649 HB2 PHE 119 HB2 PHE 119 20.247 44.990 9.279 650 HB3 PHE 119 HB3 PHE 119 21.323 45.419 10.595 651 HD1 PHE 119 HD2 PHE 119 22.844 43.711 11.577 652 HD2 PHE 119 HD1 PHE 119 20.408 42.886 8.136 653 HE1 PHE 119 HE2 PHE 119 24.235 41.723 11.068 654 HE2 PHE 119 HE1 PHE 119 21.801 40.898 7.627 655 HZ PHE 119 HZ PHE 119 23.714 40.316 9.093 656 H GLU 120 H GLU 120 17.171 44.564 10.410 657 HA GLU 120 HA GLU 120 16.897 41.667 9.834 658 HB2 GLU 120 HB2 GLU 120 15.506 42.559 11.729 659 HB3 GLU 120 HB3 GLU 120 14.696 43.609 10.566 660 HG2 GLU 120 HG2 GLU 120 14.058 41.601 9.244 661 HG3 GLU 120 HG3 GLU 120 14.794 40.581 10.472 662 H TYR 121 H TYR 121 16.376 41.097 7.807 663 HA TYR 121 HA TYR 121 16.402 42.994 5.704 664 HB2 TYR 121 HB2 TYR 121 15.480 40.120 5.715 665 HB3 TYR 121 HB3 TYR 121 15.756 41.082 4.276 666 HD1 TYR 121 HD2 TYR 121 18.093 41.891 3.762 667 HD2 TYR 121 HD1 TYR 121 17.255 39.048 6.870 668 HE1 TYR 121 HE2 TYR 121 20.478 41.217 3.788 669 HE2 TYR 121 HE1 TYR 121 19.641 38.372 6.897 670 HH TYR 121 HH TYR 121 22.037 40.110 5.516 671 H SER 122 H SER 122 13.775 41.287 7.350 672 HA SER 122 HA SER 122 11.663 42.044 5.669 673 HB2 SER 122 HB2 SER 122 11.600 41.608 8.665 674 HB3 SER 122 HB3 SER 122 10.210 41.589 7.587 675 HG SER 122 HG SER 122 12.027 39.686 8.055 676 H ALA 123 H ALA 123 10.004 43.653 6.027 677 HA ALA 123 HA ALA 123 10.881 46.032 7.534 678 HB1 ALA 123 HB1 ALA 123 11.550 46.618 5.345 679 HB2 ALA 123 HB2 ALA 123 9.973 47.385 5.547 680 HB3 ALA 123 HB3 ALA 123 10.115 45.889 4.622 681 H LEU 124 H LEU 124 9.173 47.466 8.113 682 HA LEU 124 HA LEU 124 6.461 46.284 7.945 683 HB2 LEU 124 HB2 LEU 124 7.735 46.168 10.217 684 HB3 LEU 124 HB3 LEU 124 7.370 47.891 10.314 685 HG LEU 124 HG LEU 124 5.187 45.944 9.630 686 HD11 LEU 124 HD11 LEU 124 6.017 46.697 12.448 687 HD12 LEU 124 HD12 LEU 124 6.353 45.133 11.704 688 HD13 LEU 124 HD13 LEU 124 4.686 45.636 11.984 689 HD21 LEU 124 HD21 LEU 124 5.442 48.717 10.775 690 HD22 LEU 124 HD22 LEU 124 3.979 47.774 11.062 691 HD23 LEU 124 HD23 LEU 124 4.465 48.167 9.412 692 HA PRO 125 HA PRO 125 6.509 50.553 6.038 693 HB2 PRO 125 HB2 PRO 125 4.045 49.394 4.821 694 HB3 PRO 125 HB3 PRO 125 5.342 50.341 4.065 695 HG2 PRO 125 HG2 PRO 125 5.140 47.720 3.685 696 HG3 PRO 125 HG3 PRO 125 6.716 48.523 3.819 697 HD2 PRO 125 HD2 PRO 125 5.307 46.811 5.818 698 HD3 PRO 125 HD3 PRO 125 7.049 47.004 5.521 699 H LEU 126 H LEU 126 5.712 52.121 7.304 700 HA LEU 126 HA LEU 126 3.203 51.655 8.777 701 HB2 LEU 126 HB2 LEU 126 5.242 52.342 10.047 702 HB3 LEU 126 HB3 LEU 126 5.250 53.857 9.142 703 HG LEU 126 HG LEU 126 2.864 54.213 9.948 704 HD11 LEU 126 HD11 LEU 126 3.664 51.818 11.611 705 HD12 LEU 126 HD12 LEU 126 2.216 52.022 10.625 706 HD13 LEU 126 HD13 LEU 126 2.398 52.934 12.124 707 HD21 LEU 126 HD21 LEU 126 4.833 53.993 12.229 708 HD22 LEU 126 HD22 LEU 126 3.590 55.217 11.973 709 HD23 LEU 126 HD23 LEU 126 5.029 55.196 10.954 710 H LEU 127 H LEU 127 1.382 52.654 8.181 711 HA LEU 127 HA LEU 127 1.190 54.153 5.809 712 HB2 LEU 127 HB2 LEU 127 -0.756 54.055 8.127 713 HB3 LEU 127 HB3 LEU 127 -1.125 54.585 6.487 714 HG LEU 127 HG LEU 127 -0.130 51.815 7.217 715 HD11 LEU 127 HD11 LEU 127 -2.470 51.141 6.610 716 HD12 LEU 127 HD12 LEU 127 -2.899 52.851 6.540 717 HD13 LEU 127 HD13 LEU 127 -2.386 52.132 8.067 718 HD21 LEU 127 HD21 LEU 127 -1.059 53.103 4.636 719 HD22 LEU 127 HD22 LEU 127 -0.951 51.355 4.847 720 HD23 LEU 127 HD23 LEU 127 0.502 52.349 4.962 721 H GLY 128 H GLY 128 1.342 55.170 9.201 722 HA2 GLY 128 HA2 GLY 128 1.973 57.193 10.117 723 HA3 GLY 128 HA3 GLY 128 2.461 57.708 8.506 724 H SER 129 H SER 129 -0.741 56.625 9.573 725 HA SER 129 HA SER 129 -2.137 58.616 8.180 726 HB2 SER 129 HB2 SER 129 -4.088 57.882 9.410 727 HB3 SER 129 HB3 SER 129 -3.111 56.478 9.000 728 HG SER 129 HG SER 129 -3.627 57.602 11.422 729 H ALA 130 H ALA 130 -0.766 58.649 11.420 730 HA ALA 130 HA ALA 130 -1.789 61.410 11.771 731 HB1 ALA 130 HB1 ALA 130 -2.805 59.775 13.352 732 HB2 ALA 130 HB2 ALA 130 -1.853 61.017 14.165 733 HB3 ALA 130 HB3 ALA 130 -1.190 59.397 13.952 734 HA PRO 131 HA PRO 131 2.876 61.501 11.499 735 HB2 PRO 131 HB2 PRO 131 2.237 64.271 10.615 736 HB3 PRO 131 HB3 PRO 131 3.365 63.093 9.918 737 HG2 PRO 131 HG2 PRO 131 1.048 63.662 8.746 738 HG3 PRO 131 HG3 PRO 131 1.728 62.023 8.723 739 HD2 PRO 131 HD2 PRO 131 -0.538 63.095 10.357 740 HD3 PRO 131 HD3 PRO 131 -0.315 61.476 9.656 741 H LEU 132 H LEU 132 3.735 61.755 13.478 742 HA LEU 132 HA LEU 132 2.749 63.911 15.220 743 HB2 LEU 132 HB2 LEU 132 2.806 61.574 16.094 744 HB3 LEU 132 HB3 LEU 132 4.559 61.584 15.900 745 HG LEU 132 HG LEU 132 4.595 63.663 17.365 746 HD11 LEU 132 HD11 LEU 132 2.537 63.802 18.881 747 HD12 LEU 132 HD12 LEU 132 1.708 62.813 17.680 748 HD13 LEU 132 HD13 LEU 132 2.328 64.404 17.236 749 HD21 LEU 132 HD21 LEU 132 5.272 61.555 18.314 750 HD22 LEU 132 HD22 LEU 132 3.600 61.009 18.438 751 HD23 LEU 132 HD23 LEU 132 4.181 62.311 19.476 752 H VAL 133 H VAL 133 3.939 65.669 15.613 753 HA VAL 133 HA VAL 133 6.808 65.638 14.857 754 HB VAL 133 HB VAL 133 4.896 67.987 14.750 755 HG11 VAL 133 HG11 VAL 133 6.893 68.876 13.344 756 HG12 VAL 133 HG12 VAL 133 7.825 67.608 14.141 757 HG13 VAL 133 HG13 VAL 133 7.052 68.871 15.101 758 HG21 VAL 133 HG21 VAL 133 5.082 67.763 12.308 759 HG22 VAL 133 HG22 VAL 133 4.421 66.284 13.007 760 HG23 VAL 133 HG23 VAL 133 6.112 66.344 12.505 761 H ALA 134 H ALA 134 8.220 66.177 16.400 762 HA ALA 134 HA ALA 134 7.410 66.516 19.094 763 HB1 ALA 134 HB1 ALA 134 9.557 65.530 18.583 764 HB2 ALA 134 HB2 ALA 134 9.826 67.017 19.491 765 HB3 ALA 134 HB3 ALA 134 10.076 66.993 17.746 766 H ALA 135 H ALA 135 8.377 68.807 16.582 767 HA ALA 135 HA ALA 135 8.716 71.072 18.226 768 HB1 ALA 135 HB1 ALA 135 9.554 71.238 16.026 769 HB2 ALA 135 HB2 ALA 135 8.161 72.321 16.049 770 HB3 ALA 135 HB3 ALA 135 8.025 70.724 15.314 771 H GLY 136 H GLY 136 7.340 72.708 18.837 772 HA2 GLY 136 HA2 GLY 136 4.445 72.296 18.356 773 HA3 GLY 136 HA3 GLY 136 5.072 72.692 19.955 774 H GLY 137 H GLY 137 5.885 73.952 16.725 775 HA2 GLY 137 HA2 GLY 137 6.216 76.610 17.615 776 HA3 GLY 137 HA3 GLY 137 6.044 76.106 15.937 777 H VAL 138 H VAL 138 4.792 78.161 18.042 778 HA VAL 138 HA VAL 138 1.991 77.794 17.899 779 HB VAL 138 HB VAL 138 3.565 80.373 18.149 780 HG11 VAL 138 HG11 VAL 138 0.685 79.667 18.786 781 HG12 VAL 138 HG12 VAL 138 1.249 80.837 17.593 782 HG13 VAL 138 HG13 VAL 138 1.478 81.151 19.313 783 HG21 VAL 138 HG21 VAL 138 2.483 78.446 20.227 784 HG22 VAL 138 HG22 VAL 138 3.146 80.039 20.591 785 HG23 VAL 138 HG23 VAL 138 4.181 78.790 19.899 786 H ALA 139 H ALA 139 4.302 79.403 15.751 787 HA ALA 139 HA ALA 139 2.521 80.733 14.064 788 HB1 ALA 139 HB1 ALA 139 4.305 80.793 12.458 789 HB2 ALA 139 HB2 ALA 139 5.092 79.400 13.201 790 HB3 ALA 139 HB3 ALA 139 5.024 80.937 14.062 791 H GLY 140 H GLY 140 3.389 77.321 14.170 792 HA2 GLY 140 HA2 GLY 140 2.616 76.450 11.658 793 HA3 GLY 140 HA3 GLY 140 2.455 75.494 13.126 794 H HIS 141 H HIS 141 0.571 77.328 14.402 795 HA HIS 141 HA HIS 141 -1.831 76.650 12.825 796 HB2 HIS 141 HB2 HIS 141 -1.514 77.300 15.758 797 HB3 HIS 141 HB3 HIS 141 -3.036 76.938 14.966 798 HD1 HIS 141 HD1 HIS 141 -3.040 74.438 13.758 799 HD2 HIS 141 HD2 HIS 141 -0.287 75.085 16.822 800 HE1 HIS 141 HE1 HIS 141 -2.310 72.150 14.558 801 H THR 142 H THR 142 -3.031 78.216 11.954 802 HA THR 142 HA THR 142 -2.200 80.902 11.900 803 HB THR 142 HB THR 142 -4.967 79.830 11.301 804 HG1 THR 142 HG1 THR 142 -2.904 80.197 9.496 805 HG21 THR 142 HG21 THR 142 -4.710 82.316 11.464 806 HG22 THR 142 HG22 THR 142 -5.141 81.766 9.844 807 HG23 THR 142 HG23 THR 142 -3.478 82.231 10.204 808 H ASN 143 H ASN 143 -4.663 79.254 13.842 809 HA ASN 143 HA ASN 143 -5.901 81.484 14.980 810 HB2 ASN 143 HB2 ASN 143 -5.380 78.756 16.178 811 HB3 ASN 143 HB3 ASN 143 -6.485 79.951 16.852 812 HD21 ASN 143 HD21 ASN 143 -7.306 77.326 15.873 813 HD22 ASN 143 HD22 ASN 143 -8.341 77.588 14.553 814 H GLY 144 H GLY 144 -2.941 79.788 15.934 815 HA2 GLY 144 HA2 GLY 144 -1.160 80.512 17.208 816 HA3 GLY 144 HA3 GLY 144 -1.880 82.117 17.204 817 H SER 145 H SER 145 -3.463 79.186 18.384 818 HA SER 145 HA SER 145 -3.336 80.285 21.136 819 HB2 SER 145 HB2 SER 145 -5.637 78.810 19.831 820 HB3 SER 145 HB3 SER 145 -5.585 79.377 21.497 821 HG SER 145 HG SER 145 -6.586 80.854 20.092 822 H GLY 146 H GLY 146 -3.128 78.812 22.820 823 HA2 GLY 146 HA2 GLY 146 -2.797 75.971 22.126 824 HA3 GLY 146 HA3 GLY 146 -1.468 76.807 22.925 825 H SER 147 H SER 147 -3.833 74.728 23.552 826 HA SER 147 HA SER 147 -5.224 75.761 25.774 827 HB2 SER 147 HB2 SER 147 -5.774 73.459 26.284 828 HB3 SER 147 HB3 SER 147 -5.824 73.682 24.538 829 HG SER 147 HG SER 147 -4.620 71.880 25.026 830 H GLU 148 H GLU 148 -2.027 74.291 25.510 831 HA GLU 148 HA GLU 148 -1.596 73.746 28.241 832 HB2 GLU 148 HB2 GLU 148 0.377 74.471 26.065 833 HB3 GLU 148 HB3 GLU 148 0.816 73.822 27.645 834 HG2 GLU 148 HG2 GLU 148 -0.595 71.826 27.185 835 HG3 GLU 148 HG3 GLU 148 -0.937 72.461 25.581 836 H ASN 149 H ASN 149 -1.159 76.698 26.343 837 HA ASN 149 HA ASN 149 -0.285 78.119 28.784 838 HB2 ASN 149 HB2 ASN 149 1.135 78.211 26.682 839 HB3 ASN 149 HB3 ASN 149 -0.171 79.135 25.943 840 HD21 ASN 149 HD21 ASN 149 1.299 81.029 25.824 841 HD22 ASN 149 HD22 ASN 149 1.624 81.939 27.219 842 H LEU 150 H LEU 150 -1.851 79.158 29.830 843 HA LEU 150 HA LEU 150 -4.209 80.100 28.332 844 HB2 LEU 150 HB2 LEU 150 -4.562 78.637 30.321 845 HB3 LEU 150 HB3 LEU 150 -3.807 79.876 31.325 846 HG LEU 150 HG LEU 150 -5.540 81.503 30.439 847 HD11 LEU 150 HD11 LEU 150 -6.612 78.907 29.314 848 HD12 LEU 150 HD12 LEU 150 -6.289 80.411 28.452 849 HD13 LEU 150 HD13 LEU 150 -7.639 80.316 29.582 850 HD21 LEU 150 HD21 LEU 150 -5.810 80.590 32.658 851 HD22 LEU 150 HD22 LEU 150 -6.398 79.058 32.012 852 HD23 LEU 150 HD23 LEU 150 -7.383 80.513 31.865 853 H TYR 151 H TYR 151 -4.348 82.178 27.823 854 HA TYR 151 HA TYR 151 -2.644 84.118 29.247 855 HB2 TYR 151 HB2 TYR 151 -2.815 85.507 27.310 856 HB3 TYR 151 HB3 TYR 151 -2.361 83.890 26.810 857 HD1 TYR 151 HD2 TYR 151 -4.014 82.428 25.661 858 HD2 TYR 151 HD1 TYR 151 -4.886 86.517 26.641 859 HE1 TYR 151 HE2 TYR 151 -5.922 82.399 24.077 860 HE2 TYR 151 HE1 TYR 151 -6.794 86.490 25.057 861 HH TYR 151 HH TYR 151 -8.279 84.182 24.039 862 H PHE 152 H PHE 152 -5.824 83.126 29.402 863 HA PHE 152 HA PHE 152 -6.680 85.797 30.336 864 HB2 PHE 152 HB2 PHE 152 -8.880 85.437 29.387 865 HB3 PHE 152 HB3 PHE 152 -7.662 85.365 28.128 866 HD1 PHE 152 HD2 PHE 152 -7.030 83.172 27.125 867 HD2 PHE 152 HD1 PHE 152 -10.241 83.546 29.954 868 HE1 PHE 152 HE2 PHE 152 -7.887 80.947 26.447 869 HE2 PHE 152 HE1 PHE 152 -11.098 81.320 29.276 870 HZ PHE 152 HZ PHE 152 -9.922 80.021 27.522 871 H GLN 153 H GLN 153 -8.536 85.694 31.825 872 HA GLN 153 HA GLN 153 -8.680 83.142 33.321 873 HB2 GLN 153 HB2 GLN 153 -7.191 84.786 34.465 874 HB3 GLN 153 HB3 GLN 153 -8.551 85.907 34.549 875 HG2 GLN 153 HG2 GLN 153 -9.840 84.278 35.854 876 HG3 GLN 153 HG3 GLN 153 -8.522 83.119 35.737 877 HE21 GLN 153 HE21 GLN 153 -9.285 83.763 38.290 878 HE22 GLN 153 HE22 GLN 153 -8.154 84.795 39.021 Start of MODEL 11 1 H1 MET 39 HT1 MET 39 38.624 18.294 -9.919 2 H2 MET 39 HT2 MET 39 38.995 17.972 -8.293 3 H3 MET 39 HT3 MET 39 39.645 16.998 -9.524 4 HA MET 39 HA MET 39 41.436 18.278 -9.505 5 HB2 MET 39 HB2 MET 39 39.422 20.345 -10.436 6 HB3 MET 39 HB3 MET 39 41.171 20.541 -10.547 7 HG2 MET 39 HG2 MET 39 41.287 18.457 -11.909 8 HG3 MET 39 HG3 MET 39 39.526 18.362 -11.866 9 HE1 MET 39 HE1 MET 39 40.394 19.385 -15.503 10 HE2 MET 39 HE2 MET 39 39.181 18.507 -14.574 11 HE3 MET 39 HE3 MET 39 40.889 18.139 -14.351 12 H ASN 40 H ASN 40 42.668 19.683 -8.236 13 HA ASN 40 HA ASN 40 41.838 20.141 -5.615 14 HB2 ASN 40 HB2 ASN 40 44.019 21.510 -7.202 15 HB3 ASN 40 HB3 ASN 40 43.831 21.625 -5.454 16 HD21 ASN 40 HD21 ASN 40 46.147 20.443 -6.792 17 HD22 ASN 40 HD22 ASN 40 46.192 18.804 -6.351 18 H GLY 41 H GLY 41 41.684 22.266 -8.436 19 HA2 GLY 41 HA2 GLY 41 41.144 24.702 -7.207 20 HA3 GLY 41 HA3 GLY 41 40.542 24.232 -8.792 21 H GLU 42 H GLU 42 38.965 21.995 -7.877 22 HA GLU 42 HA GLU 42 36.515 23.249 -7.378 23 HB2 GLU 42 HB2 GLU 42 36.814 20.943 -8.295 24 HB3 GLU 42 HB3 GLU 42 37.245 20.399 -6.673 25 HG2 GLU 42 HG2 GLU 42 35.056 21.247 -5.843 26 HG3 GLU 42 HG3 GLU 42 34.624 21.683 -7.490 27 H ASN 43 H ASN 43 38.883 21.881 -5.133 28 HA ASN 43 HA ASN 43 37.372 21.875 -2.790 29 HB2 ASN 43 HB2 ASN 43 39.720 20.982 -3.121 30 HB3 ASN 43 HB3 ASN 43 40.288 22.641 -2.939 31 HD21 ASN 43 HD21 ASN 43 41.396 21.996 -0.914 32 HD22 ASN 43 HD22 ASN 43 40.502 21.772 0.511 33 H TYR 44 H TYR 44 39.070 24.537 -4.382 34 HA TYR 44 HA TYR 44 38.162 26.384 -2.273 35 HB2 TYR 44 HB2 TYR 44 40.560 26.406 -2.889 36 HB3 TYR 44 HB3 TYR 44 40.116 26.824 -4.533 37 HD1 TYR 44 HD1 TYR 44 40.196 28.004 -1.025 38 HD2 TYR 44 HD2 TYR 44 39.498 29.074 -5.127 39 HE1 TYR 44 HE1 TYR 44 40.221 30.405 -0.403 40 HE2 TYR 44 HE2 TYR 44 39.522 31.475 -4.504 41 HH TYR 44 HH TYR 44 39.538 32.898 -2.753 42 H PHE 45 H PHE 45 36.781 28.050 -2.694 43 HA PHE 45 HA PHE 45 35.739 28.306 -5.456 44 HB2 PHE 45 HB2 PHE 45 33.506 28.616 -4.538 45 HB3 PHE 45 HB3 PHE 45 34.151 27.049 -4.085 46 HD1 PHE 45 HD2 PHE 45 34.817 26.588 -1.757 47 HD2 PHE 45 HD1 PHE 45 33.086 30.348 -2.905 48 HE1 PHE 45 HE2 PHE 45 34.373 27.111 0.626 49 HE2 PHE 45 HE1 PHE 45 32.641 30.871 -0.521 50 HZ PHE 45 HZ PHE 45 33.285 29.252 1.244 51 H LYS 46 H LYS 46 34.733 30.383 -5.905 52 HA LYS 46 HA LYS 46 36.208 32.536 -4.565 53 HB2 LYS 46 HB2 LYS 46 36.339 32.299 -7.044 54 HB3 LYS 46 HB3 LYS 46 34.608 32.627 -7.132 55 HG2 LYS 46 HG2 LYS 46 34.990 34.804 -5.989 56 HG3 LYS 46 HG3 LYS 46 36.725 34.485 -6.010 57 HD2 LYS 46 HD2 LYS 46 36.602 34.284 -8.506 58 HD3 LYS 46 HD3 LYS 46 34.912 34.785 -8.420 59 HE2 LYS 46 HE2 LYS 46 36.099 36.791 -8.850 60 HE3 LYS 46 HE3 LYS 46 35.769 36.836 -7.119 61 HZ1 LYS 46 HZ1 LYS 46 37.928 36.559 -6.607 62 HZ2 LYS 46 HZ2 LYS 46 38.186 37.192 -8.163 63 HZ3 LYS 46 HZ3 LYS 46 38.229 35.513 -7.908 64 H LEU 47 H LEU 47 32.899 31.940 -5.786 65 HA LEU 47 HA LEU 47 31.899 34.229 -4.308 66 HB2 LEU 47 HB2 LEU 47 30.410 32.172 -5.955 67 HB3 LEU 47 HB3 LEU 47 29.753 33.693 -5.352 68 HG LEU 47 HG LEU 47 32.119 33.468 -7.236 69 HD11 LEU 47 HD11 LEU 47 30.620 34.154 -8.990 70 HD12 LEU 47 HD12 LEU 47 29.306 34.416 -7.843 71 HD13 LEU 47 HD13 LEU 47 29.867 32.779 -8.183 72 HD21 LEU 47 HD21 LEU 47 32.285 35.497 -5.976 73 HD22 LEU 47 HD22 LEU 47 30.549 35.787 -6.084 74 HD23 LEU 47 HD23 LEU 47 31.562 35.952 -7.518 75 H GLY 48 H GLY 48 30.661 34.214 -2.511 76 HA2 GLY 48 HA2 GLY 48 29.580 31.735 -1.434 77 HA3 GLY 48 HA3 GLY 48 30.851 32.489 -0.472 78 H SER 49 H SER 49 28.209 33.917 -2.375 79 HA SER 49 HA SER 49 27.703 36.018 -0.607 80 HB2 SER 49 HB2 SER 49 26.927 35.899 -2.977 81 HB3 SER 49 HB3 SER 49 25.716 34.721 -2.482 82 HG SER 49 HG SER 49 24.845 36.302 -1.192 83 H ASP 50 H ASP 50 26.359 32.750 -0.691 84 HA ASP 50 HA ASP 50 24.329 33.330 1.270 85 HB2 ASP 50 HB2 ASP 50 23.876 30.930 1.212 86 HB3 ASP 50 HB3 ASP 50 23.999 31.578 -0.420 87 H SER 51 H SER 51 24.934 33.846 3.268 88 HA SER 51 HA SER 51 27.322 33.073 4.539 89 HB2 SER 51 HB2 SER 51 25.879 34.992 5.229 90 HB3 SER 51 HB3 SER 51 24.712 33.837 5.862 91 HG SER 51 HG SER 51 27.388 33.829 6.620 92 H LYS 52 H LYS 52 24.101 31.606 4.521 93 HA LYS 52 HA LYS 52 24.970 29.535 6.397 94 HB2 LYS 52 HB2 LYS 52 22.301 30.061 5.070 95 HB3 LYS 52 HB3 LYS 52 22.609 28.762 6.223 96 HG2 LYS 52 HG2 LYS 52 23.332 30.468 7.895 97 HG3 LYS 52 HG3 LYS 52 22.889 31.735 6.750 98 HD2 LYS 52 HD2 LYS 52 20.565 30.822 6.699 99 HD3 LYS 52 HD3 LYS 52 21.027 29.666 7.950 100 HE2 LYS 52 HE2 LYS 52 21.803 31.731 9.298 101 HE3 LYS 52 HE3 LYS 52 20.845 32.669 8.151 102 HZ1 LYS 52 HZ1 LYS 52 18.947 31.196 8.699 103 HZ2 LYS 52 HZ2 LYS 52 19.479 32.139 10.009 104 HZ3 LYS 52 HZ3 LYS 52 19.886 30.491 9.924 105 H LEU 53 H LEU 53 25.469 27.493 5.838 106 HA LEU 53 HA LEU 53 25.347 26.788 2.969 107 HB2 LEU 53 HB2 LEU 53 27.593 26.846 4.113 108 HB3 LEU 53 HB3 LEU 53 27.042 25.513 5.126 109 HG LEU 53 HG LEU 53 26.530 24.241 2.995 110 HD11 LEU 53 HD11 LEU 53 27.928 25.117 1.012 111 HD12 LEU 53 HD12 LEU 53 27.934 26.662 1.862 112 HD13 LEU 53 HD13 LEU 53 26.407 25.944 1.349 113 HD21 LEU 53 HD21 LEU 53 28.706 23.391 2.884 114 HD22 LEU 53 HD22 LEU 53 28.722 24.198 4.451 115 HD23 LEU 53 HD23 LEU 53 29.443 24.984 3.048 116 H LEU 54 H LEU 54 23.990 25.237 2.346 117 HA LEU 54 HA LEU 54 22.095 24.107 4.089 118 HB2 LEU 54 HB2 LEU 54 22.910 23.167 1.330 119 HB3 LEU 54 HB3 LEU 54 21.415 22.748 2.166 120 HG LEU 54 HG LEU 54 22.250 25.576 1.457 121 HD11 LEU 54 HD11 LEU 54 21.750 24.406 -0.587 122 HD12 LEU 54 HD12 LEU 54 20.327 25.365 -0.182 123 HD13 LEU 54 HD13 LEU 54 20.341 23.631 0.136 124 HD21 LEU 54 HD21 LEU 54 19.718 25.890 1.931 125 HD22 LEU 54 HD22 LEU 54 20.791 25.699 3.317 126 HD23 LEU 54 HD23 LEU 54 19.824 24.335 2.758 127 H THR 55 H THR 55 25.168 22.862 2.890 128 HA THR 55 HA THR 55 24.898 20.161 3.451 129 HB THR 55 HB THR 55 27.401 21.810 3.861 130 HG1 THR 55 HG1 THR 55 27.445 21.915 1.786 131 HG21 THR 55 HG21 THR 55 27.053 18.920 3.021 132 HG22 THR 55 HG22 THR 55 27.401 19.426 4.675 133 HG23 THR 55 HG23 THR 55 28.567 19.746 3.391 134 H HIS 56 H HIS 56 25.696 22.816 5.655 135 HA HIS 56 HA HIS 56 25.652 20.900 7.914 136 HB2 HIS 56 HB2 HIS 56 26.883 23.645 7.672 137 HB3 HIS 56 HB3 HIS 56 26.794 22.734 9.168 138 HD1 HIS 56 HD1 HIS 56 28.575 22.881 5.878 139 HD2 HIS 56 HD2 HIS 56 28.627 20.550 9.333 140 HE1 HIS 56 HE1 HIS 56 30.664 21.459 5.749 141 H ASN 57 H ASN 57 24.101 21.052 9.407 142 HA ASN 57 HA ASN 57 22.522 23.518 9.631 143 HB2 ASN 57 HB2 ASN 57 21.415 21.880 8.016 144 HB3 ASN 57 HB3 ASN 57 21.182 20.822 9.406 145 HD21 ASN 57 HD21 ASN 57 18.813 21.124 9.190 146 HD22 ASN 57 HD22 ASN 57 18.088 22.565 9.717 147 H SER 58 H SER 58 22.777 24.044 11.716 148 HA SER 58 HA SER 58 22.638 21.887 13.749 149 HB2 SER 58 HB2 SER 58 24.077 24.547 13.907 150 HB3 SER 58 HB3 SER 58 24.017 23.328 15.175 151 HG SER 58 HG SER 58 25.753 22.742 14.107 152 H TYR 59 H TYR 59 21.338 22.171 15.515 153 HA TYR 59 HA TYR 59 19.293 24.246 15.264 154 HB2 TYR 59 HB2 TYR 59 17.984 22.925 16.764 155 HB3 TYR 59 HB3 TYR 59 18.651 21.878 15.528 156 HD1 TYR 59 HD2 TYR 59 20.519 20.322 16.084 157 HD2 TYR 59 HD1 TYR 59 18.541 22.677 19.082 158 HE1 TYR 59 HE2 TYR 59 21.465 18.864 17.854 159 HE2 TYR 59 HE1 TYR 59 19.487 21.220 20.851 160 HH TYR 59 HH TYR 59 21.883 19.447 20.658 161 H GLN 60 H GLN 60 22.187 23.971 16.955 162 HA GLN 60 HA GLN 60 21.583 24.731 19.564 163 HB2 GLN 60 HB2 GLN 60 23.967 25.545 17.886 164 HB3 GLN 60 HB3 GLN 60 23.869 25.645 19.643 165 HG2 GLN 60 HG2 GLN 60 23.663 23.105 18.000 166 HG3 GLN 60 HG3 GLN 60 25.058 23.605 18.950 167 HE21 GLN 60 HE21 GLN 60 22.858 21.320 19.155 168 HE22 GLN 60 HE22 GLN 60 22.466 21.354 20.806 169 H ASN 61 H ASN 61 21.718 26.699 16.642 170 HA ASN 61 HA ASN 61 21.972 29.239 17.743 171 HB2 ASN 61 HB2 ASN 61 20.382 28.351 15.329 172 HB3 ASN 61 HB3 ASN 61 20.767 30.028 15.710 173 HD21 ASN 61 HD21 ASN 61 21.695 28.637 13.316 174 HD22 ASN 61 HD22 ASN 61 23.388 28.566 13.408 175 H ARG 62 H ARG 62 19.093 27.199 17.471 176 HA ARG 62 HA ARG 62 17.634 29.167 19.136 177 HB2 ARG 62 HB2 ARG 62 16.550 27.626 16.768 178 HB3 ARG 62 HB3 ARG 62 15.582 28.611 17.866 179 HG2 ARG 62 HG2 ARG 62 16.984 30.585 17.283 180 HG3 ARG 62 HG3 ARG 62 17.855 29.590 16.115 181 HD2 ARG 62 HD2 ARG 62 15.644 29.100 15.008 182 HD3 ARG 62 HD3 ARG 62 14.909 30.290 16.078 183 HE ARG 62 HE ARG 62 17.074 31.543 14.856 184 HH11 ARG 62 HH11 ARG 62 14.044 30.114 13.812 185 HH12 ARG 62 HH12 ARG 62 13.912 31.155 12.434 186 HH21 ARG 62 HH21 ARG 62 16.851 32.856 13.067 187 HH22 ARG 62 HH22 ARG 62 15.482 32.688 12.019 188 H LEU 63 H LEU 63 16.442 28.346 20.777 189 HA LEU 63 HA LEU 63 16.441 25.407 21.121 190 HB2 LEU 63 HB2 LEU 63 17.641 26.746 22.857 191 HB3 LEU 63 HB3 LEU 63 16.117 27.550 23.234 192 HG LEU 63 HG LEU 63 15.130 25.236 23.624 193 HD11 LEU 63 HD11 LEU 63 16.703 23.828 22.507 194 HD12 LEU 63 HD12 LEU 63 16.932 23.519 24.228 195 HD13 LEU 63 HD13 LEU 63 18.066 24.554 23.359 196 HD21 LEU 63 HD21 LEU 63 17.458 25.991 25.416 197 HD22 LEU 63 HD22 LEU 63 16.008 25.104 25.884 198 HD23 LEU 63 HD23 LEU 63 15.894 26.806 25.438 199 H PHE 64 H PHE 64 14.534 24.361 21.162 200 HA PHE 64 HA PHE 64 12.087 25.968 20.945 201 HB2 PHE 64 HB2 PHE 64 12.604 23.034 20.457 202 HB3 PHE 64 HB3 PHE 64 11.048 23.819 20.261 203 HD1 PHE 64 HD1 PHE 64 10.712 25.496 18.449 204 HD2 PHE 64 HD2 PHE 64 14.351 23.244 18.828 205 HE1 PHE 64 HE1 PHE 64 11.328 26.100 16.124 206 HE2 PHE 64 HE2 PHE 64 14.966 23.848 16.503 207 HZ PHE 64 HZ PHE 64 13.455 25.276 15.151 208 H TYR 65 H TYR 65 10.623 26.103 22.541 209 HA TYR 65 HA TYR 65 10.763 24.135 24.759 210 HB2 TYR 65 HB2 TYR 65 11.451 26.524 25.294 211 HB3 TYR 65 HB3 TYR 65 9.790 26.983 24.964 212 HD1 TYR 65 HD2 TYR 65 12.002 25.029 27.192 213 HD2 TYR 65 HD1 TYR 65 8.031 26.537 26.553 214 HE1 TYR 65 HE2 TYR 65 11.404 24.438 29.525 215 HE2 TYR 65 HE1 TYR 65 7.433 25.946 28.887 216 HH TYR 65 HH TYR 65 8.172 24.975 30.771 217 H THR 66 H THR 66 8.796 23.319 25.520 218 HA THR 66 HA THR 66 6.505 23.788 23.696 219 HB THR 66 HB THR 66 7.102 21.329 25.356 220 HG1 THR 66 HG1 THR 66 7.639 20.535 23.265 221 HG21 THR 66 HG21 THR 66 5.043 22.038 23.263 222 HG22 THR 66 HG22 THR 66 4.771 21.436 24.898 223 HG23 THR 66 HG23 THR 66 5.434 20.366 23.664 224 H LEU 67 H LEU 67 4.505 24.169 24.502 225 HA LEU 67 HA LEU 67 4.311 25.003 27.278 226 HB2 LEU 67 HB2 LEU 67 2.387 25.110 24.947 227 HB3 LEU 67 HB3 LEU 67 2.011 25.731 26.551 228 HG LEU 67 HG LEU 67 4.419 26.617 24.940 229 HD11 LEU 67 HD11 LEU 67 2.907 28.769 24.815 230 HD12 LEU 67 HD12 LEU 67 1.587 27.620 25.043 231 HD13 LEU 67 HD13 LEU 67 2.664 27.465 23.654 232 HD21 LEU 67 HD21 LEU 67 4.031 28.608 26.623 233 HD22 LEU 67 HD22 LEU 67 4.854 27.149 27.177 234 HD23 LEU 67 HD23 LEU 67 3.149 27.396 27.553 235 H LYS 68 H LYS 68 3.287 23.946 28.870 236 HA LYS 68 HA LYS 68 1.608 21.618 28.188 237 HB2 LYS 68 HB2 LYS 68 2.631 20.300 29.931 238 HB3 LYS 68 HB3 LYS 68 3.890 20.878 28.846 239 HG2 LYS 68 HG2 LYS 68 4.348 22.745 30.453 240 HG3 LYS 68 HG3 LYS 68 3.174 22.032 31.559 241 HD2 LYS 68 HD2 LYS 68 4.535 19.881 31.414 242 HD3 LYS 68 HD3 LYS 68 5.782 20.832 30.606 243 HE2 LYS 68 HE2 LYS 68 6.058 22.255 32.516 244 HE3 LYS 68 HE3 LYS 68 4.620 21.595 33.294 245 HZ1 LYS 68 HZ1 LYS 68 6.592 20.623 34.242 246 HZ2 LYS 68 HZ2 LYS 68 7.132 20.124 32.709 247 HZ3 LYS 68 HZ3 LYS 68 5.735 19.434 33.387 248 H THR 69 H THR 69 0.080 21.005 29.848 249 HA THR 69 HA THR 69 -1.428 23.152 30.777 250 HB THR 69 HB THR 69 -2.375 20.923 30.483 251 HG1 THR 69 HG1 THR 69 -3.270 22.332 32.045 252 HG21 THR 69 HG21 THR 69 -0.838 20.125 32.966 253 HG22 THR 69 HG22 THR 69 -0.311 19.729 31.330 254 HG23 THR 69 HG23 THR 69 -1.835 19.090 31.945 255 H GLY 70 H GLY 70 -1.437 24.383 32.558 256 HA2 GLY 70 HA2 GLY 70 -1.171 24.714 34.914 257 HA3 GLY 70 HA3 GLY 70 0.127 23.532 34.904 258 H GLU 71 H GLU 71 1.193 24.972 32.363 259 HA GLU 71 HA GLU 71 2.650 27.053 33.874 260 HB2 GLU 71 HB2 GLU 71 3.967 25.147 32.928 261 HB3 GLU 71 HB3 GLU 71 3.468 25.661 31.316 262 HG2 GLU 71 HG2 GLU 71 4.456 27.905 31.765 263 HG3 GLU 71 HG3 GLU 71 5.028 27.315 33.318 264 H THR 72 H THR 72 2.695 29.119 33.181 265 HA THR 72 HA THR 72 1.265 29.771 30.666 266 HB THR 72 HB THR 72 0.733 31.928 31.655 267 HG1 THR 72 HG1 THR 72 2.383 31.003 33.660 268 HG21 THR 72 HG21 THR 72 -0.941 31.203 33.106 269 HG22 THR 72 HG22 THR 72 0.088 29.972 33.838 270 HG23 THR 72 HG23 THR 72 -0.569 29.722 32.221 271 H VAL 73 H VAL 73 2.096 31.620 29.469 272 HA VAL 73 HA VAL 73 4.848 31.424 28.961 273 HB VAL 73 HB VAL 73 2.987 33.725 28.304 274 HG11 VAL 73 HG11 VAL 73 5.404 34.245 28.036 275 HG12 VAL 73 HG12 VAL 73 4.566 34.183 26.485 276 HG13 VAL 73 HG13 VAL 73 5.575 32.830 26.997 277 HG21 VAL 73 HG21 VAL 73 3.719 31.251 26.706 278 HG22 VAL 73 HG22 VAL 73 2.663 32.556 26.167 279 HG23 VAL 73 HG23 VAL 73 2.171 31.520 27.506 280 H ALA 74 H ALA 74 3.007 33.768 30.895 281 HA ALA 74 HA ALA 74 5.134 35.533 31.427 282 HB1 ALA 74 HB1 ALA 74 2.549 35.720 31.899 283 HB2 ALA 74 HB2 ALA 74 3.706 36.579 32.915 284 HB3 ALA 74 HB3 ALA 74 3.001 35.061 33.471 285 H ASP 75 H ASP 75 4.011 32.641 33.176 286 HA ASP 75 HA ASP 75 5.639 32.981 35.453 287 HB2 ASP 75 HB2 ASP 75 4.498 30.483 34.192 288 HB3 ASP 75 HB3 ASP 75 5.320 30.505 35.748 289 H LEU 76 H LEU 76 6.198 31.207 32.420 290 HA LEU 76 HA LEU 76 8.696 30.115 33.100 291 HB2 LEU 76 HB2 LEU 76 7.344 29.471 31.101 292 HB3 LEU 76 HB3 LEU 76 7.784 31.004 30.352 293 HG LEU 76 HG LEU 76 10.238 30.280 30.803 294 HD11 LEU 76 HD11 LEU 76 10.692 28.046 31.252 295 HD12 LEU 76 HD12 LEU 76 9.124 27.497 30.661 296 HD13 LEU 76 HD13 LEU 76 9.246 28.289 32.229 297 HD21 LEU 76 HD21 LEU 76 9.088 30.383 28.572 298 HD22 LEU 76 HD22 LEU 76 8.607 28.701 28.793 299 HD23 LEU 76 HD23 LEU 76 10.315 29.121 28.671 300 H SER 77 H SER 77 7.844 33.214 31.604 301 HA SER 77 HA SER 77 10.448 34.103 31.044 302 HB2 SER 77 HB2 SER 77 8.377 35.172 30.186 303 HB3 SER 77 HB3 SER 77 8.049 35.781 31.804 304 HG SER 77 HG SER 77 9.569 36.845 30.000 305 H LYS 78 H LYS 78 8.484 34.404 33.974 306 HA LYS 78 HA LYS 78 10.178 36.161 35.376 307 HB2 LYS 78 HB2 LYS 78 7.839 35.597 36.027 308 HB3 LYS 78 HB3 LYS 78 8.396 34.004 36.532 309 HG2 LYS 78 HG2 LYS 78 8.371 35.306 38.520 310 HG3 LYS 78 HG3 LYS 78 10.067 35.242 38.043 311 HD2 LYS 78 HD2 LYS 78 9.893 37.449 37.005 312 HD3 LYS 78 HD3 LYS 78 8.169 37.511 37.374 313 HE2 LYS 78 HE2 LYS 78 10.183 37.088 39.570 314 HE3 LYS 78 HE3 LYS 78 9.824 38.712 38.987 315 HZ1 LYS 78 HZ1 LYS 78 7.387 37.963 39.304 316 HZ2 LYS 78 HZ2 LYS 78 8.293 38.443 40.659 317 HZ3 LYS 78 HZ3 LYS 78 8.051 36.793 40.337 318 H SER 79 H SER 79 10.027 32.610 35.347 319 HA SER 79 HA SER 79 12.047 32.150 37.249 320 HB2 SER 79 HB2 SER 79 10.456 30.426 36.375 321 HB3 SER 79 HB3 SER 79 11.371 30.409 34.870 322 HG SER 79 HG SER 79 12.767 29.231 35.875 323 H GLN 80 H GLN 80 12.206 32.494 33.730 324 HA GLN 80 HA GLN 80 15.038 32.090 33.583 325 HB2 GLN 80 HB2 GLN 80 13.068 33.237 31.601 326 HB3 GLN 80 HB3 GLN 80 14.758 32.884 31.239 327 HG2 GLN 80 HG2 GLN 80 14.420 30.527 31.792 328 HG3 GLN 80 HG3 GLN 80 12.751 30.852 32.255 329 HE21 GLN 80 HE21 GLN 80 13.396 28.978 30.185 330 HE22 GLN 80 HE22 GLN 80 12.832 29.601 28.710 331 H ASP 81 H ASP 81 13.166 34.823 34.490 332 HA ASP 81 HA ASP 81 13.710 37.007 34.916 333 HB2 ASP 81 HB2 ASP 81 15.703 35.858 36.001 334 HB3 ASP 81 HB3 ASP 81 16.597 36.207 34.522 335 H ILE 82 H ILE 82 12.955 36.360 32.349 336 HA ILE 82 HA ILE 82 14.639 38.118 30.662 337 HB ILE 82 HB ILE 82 12.665 35.991 29.783 338 HG12 ILE 82 HG12 ILE 82 15.698 35.974 29.668 339 HG13 ILE 82 HG13 ILE 82 14.752 35.110 30.880 340 HG21 ILE 82 HG21 ILE 82 13.624 36.391 27.555 341 HG22 ILE 82 HG22 ILE 82 14.687 37.630 28.221 342 HG23 ILE 82 HG23 ILE 82 12.941 37.883 28.201 343 HD11 ILE 82 HD11 ILE 82 13.515 34.048 28.867 344 HD12 ILE 82 HD12 ILE 82 15.148 33.481 29.217 345 HD13 ILE 82 HD13 ILE 82 14.876 34.628 27.905 346 H ASN 83 H ASN 83 13.642 39.778 29.518 347 HA ASN 83 HA ASN 83 11.334 40.906 30.767 348 HB2 ASN 83 HB2 ASN 83 12.824 41.697 28.254 349 HB3 ASN 83 HB3 ASN 83 11.563 42.663 29.020 350 HD21 ASN 83 HD21 ASN 83 14.349 43.509 28.714 351 HD22 ASN 83 HD22 ASN 83 14.983 43.698 30.277 352 H LEU 84 H LEU 84 9.243 40.746 30.245 353 HA LEU 84 HA LEU 84 8.263 38.858 28.424 354 HB2 LEU 84 HB2 LEU 84 6.868 41.326 29.492 355 HB3 LEU 84 HB3 LEU 84 6.075 39.936 28.753 356 HG LEU 84 HG LEU 84 7.798 39.805 31.246 357 HD11 LEU 84 HD11 LEU 84 5.873 40.912 31.983 358 HD12 LEU 84 HD12 LEU 84 5.424 39.221 32.210 359 HD13 LEU 84 HD13 LEU 84 4.839 40.107 30.801 360 HD21 LEU 84 HD21 LEU 84 7.817 37.689 30.108 361 HD22 LEU 84 HD22 LEU 84 6.093 37.794 29.752 362 HD23 LEU 84 HD23 LEU 84 6.637 37.540 31.410 363 H SER 85 H SER 85 8.885 42.323 28.028 364 HA SER 85 HA SER 85 7.600 42.687 25.556 365 HB2 SER 85 HB2 SER 85 8.510 44.516 27.010 366 HB3 SER 85 HB3 SER 85 10.131 44.053 26.498 367 HG SER 85 HG SER 85 9.630 45.386 24.945 368 H THR 86 H THR 86 10.893 41.617 26.338 369 HA THR 86 HA THR 86 11.893 41.586 23.701 370 HB THR 86 HB THR 86 12.695 39.772 25.986 371 HG1 THR 86 HG1 THR 86 13.889 41.428 26.628 372 HG21 THR 86 HG21 THR 86 13.592 39.160 23.758 373 HG22 THR 86 HG22 THR 86 14.862 39.736 24.837 374 HG23 THR 86 HG23 THR 86 14.227 40.795 23.578 375 H ILE 87 H ILE 87 10.340 39.038 25.640 376 HA ILE 87 HA ILE 87 10.669 36.932 23.813 377 HB ILE 87 HB ILE 87 8.384 37.361 25.760 378 HG12 ILE 87 HG12 ILE 87 10.994 35.859 26.126 379 HG13 ILE 87 HG13 ILE 87 10.691 37.479 26.756 380 HG21 ILE 87 HG21 ILE 87 8.027 35.576 24.036 381 HG22 ILE 87 HG22 ILE 87 8.144 34.935 25.675 382 HG23 ILE 87 HG23 ILE 87 9.518 34.806 24.578 383 HD11 ILE 87 HD11 ILE 87 10.267 35.782 28.489 384 HD12 ILE 87 HD12 ILE 87 9.092 34.993 27.436 385 HD13 ILE 87 HD13 ILE 87 8.775 36.615 28.054 386 H TRP 88 H TRP 88 8.005 39.249 24.198 387 HA TRP 88 HA TRP 88 6.339 38.263 22.175 388 HB2 TRP 88 HB2 TRP 88 5.655 39.963 23.817 389 HB3 TRP 88 HB3 TRP 88 6.715 41.130 23.046 390 HD1 TRP 88 HD1 TRP 88 3.367 39.405 22.690 391 HE1 TRP 88 HE1 TRP 88 2.043 40.509 20.774 392 HE3 TRP 88 HE3 TRP 88 7.001 42.400 20.723 393 HZ2 TRP 88 HZ2 TRP 88 2.471 42.414 18.679 394 HZ3 TRP 88 HZ3 TRP 88 6.519 43.846 18.772 395 HH2 TRP 88 HH2 TRP 88 4.263 43.859 17.747 396 H SER 89 H SER 89 8.911 40.737 21.966 397 HA SER 89 HA SER 89 8.475 41.539 19.345 398 HB2 SER 89 HB2 SER 89 10.749 42.361 19.358 399 HB3 SER 89 HB3 SER 89 10.052 42.610 20.955 400 HG SER 89 HG SER 89 12.106 41.060 20.208 401 H LEU 90 H LEU 90 10.356 38.779 20.541 402 HA LEU 90 HA LEU 90 11.338 38.008 17.974 403 HB2 LEU 90 HB2 LEU 90 10.999 36.378 20.501 404 HB3 LEU 90 HB3 LEU 90 11.956 35.907 19.096 405 HG LEU 90 HG LEU 90 12.423 38.459 20.661 406 HD11 LEU 90 HD11 LEU 90 14.049 37.383 21.934 407 HD12 LEU 90 HD12 LEU 90 14.239 36.069 20.774 408 HD13 LEU 90 HD13 LEU 90 12.822 36.123 21.820 409 HD21 LEU 90 HD21 LEU 90 13.907 36.990 18.469 410 HD22 LEU 90 HD22 LEU 90 14.666 38.239 19.456 411 HD23 LEU 90 HD23 LEU 90 13.286 38.642 18.434 412 H ASN 91 H ASN 91 8.686 36.715 19.995 413 HA ASN 91 HA ASN 91 7.906 34.914 17.849 414 HB2 ASN 91 HB2 ASN 91 6.806 35.311 20.630 415 HB3 ASN 91 HB3 ASN 91 6.250 34.079 19.496 416 HD21 ASN 91 HD21 ASN 91 9.379 35.257 20.886 417 HD22 ASN 91 HD22 ASN 91 10.053 33.705 21.020 418 H LYS 92 H LYS 92 7.259 38.093 18.203 419 HA LYS 92 HA LYS 92 4.539 38.430 18.059 420 HB2 LYS 92 HB2 LYS 92 4.968 40.496 16.887 421 HB3 LYS 92 HB3 LYS 92 6.220 40.250 18.100 422 HG2 LYS 92 HG2 LYS 92 7.700 39.312 16.312 423 HG3 LYS 92 HG3 LYS 92 6.461 39.719 15.123 424 HD2 LYS 92 HD2 LYS 92 6.587 42.110 15.998 425 HD3 LYS 92 HD3 LYS 92 8.035 41.617 16.877 426 HE2 LYS 92 HE2 LYS 92 7.723 41.179 13.902 427 HE3 LYS 92 HE3 LYS 92 8.428 42.651 14.572 428 HZ1 LYS 92 HZ1 LYS 92 9.395 39.940 15.275 429 HZ2 LYS 92 HZ2 LYS 92 10.156 41.430 15.573 430 HZ3 LYS 92 HZ3 LYS 92 10.038 40.837 13.985 431 H HIS 93 H HIS 93 6.629 37.081 15.577 432 HA HIS 93 HA HIS 93 4.708 37.315 13.471 433 HB2 HIS 93 HB2 HIS 93 6.184 36.021 12.158 434 HB3 HIS 93 HB3 HIS 93 7.173 37.074 13.144 435 HD1 HIS 93 HD1 HIS 93 8.555 35.899 15.100 436 HD2 HIS 93 HD2 HIS 93 6.580 33.283 12.518 437 HE1 HIS 93 HE1 HIS 93 9.588 33.623 15.459 438 H LEU 94 H LEU 94 5.439 34.837 15.877 439 HA LEU 94 HA LEU 94 3.842 32.792 14.685 440 HB2 LEU 94 HB2 LEU 94 4.703 33.125 17.568 441 HB3 LEU 94 HB3 LEU 94 4.074 31.648 16.842 442 HG LEU 94 HG LEU 94 6.576 33.082 15.918 443 HD11 LEU 94 HD11 LEU 94 6.197 30.612 17.635 444 HD12 LEU 94 HD12 LEU 94 6.940 32.134 18.129 445 HD13 LEU 94 HD13 LEU 94 7.739 31.109 16.936 446 HD21 LEU 94 HD21 LEU 94 5.615 31.829 14.105 447 HD22 LEU 94 HD22 LEU 94 5.249 30.466 15.162 448 HD23 LEU 94 HD23 LEU 94 6.923 30.840 14.754 449 H TYR 95 H TYR 95 3.227 35.178 17.248 450 HA TYR 95 HA TYR 95 0.366 34.392 17.204 451 HB2 TYR 95 HB2 TYR 95 1.951 35.715 19.408 452 HB3 TYR 95 HB3 TYR 95 0.247 35.307 19.475 453 HD1 TYR 95 HD2 TYR 95 -0.451 32.891 19.442 454 HD2 TYR 95 HD1 TYR 95 3.653 34.098 19.832 455 HE1 TYR 95 HE2 TYR 95 0.133 30.633 20.283 456 HE2 TYR 95 HE1 TYR 95 4.237 31.839 20.673 457 HH TYR 95 HH TYR 95 3.328 29.581 20.635 458 H SER 96 H SER 96 -1.211 36.019 17.241 459 HA SER 96 HA SER 96 -0.487 38.266 15.600 460 HB2 SER 96 HB2 SER 96 -3.154 37.588 16.854 461 HB3 SER 96 HB3 SER 96 -2.872 38.735 15.549 462 HG SER 96 HG SER 96 -2.844 37.089 14.273 463 H SER 97 H SER 97 -1.435 37.816 18.983 464 HA SER 97 HA SER 97 -0.694 40.590 19.536 465 HB2 SER 97 HB2 SER 97 -2.797 41.166 20.561 466 HB3 SER 97 HB3 SER 97 -3.121 40.605 18.924 467 HG SER 97 HG SER 97 -4.390 39.304 19.979 468 H GLU 98 H GLU 98 -0.930 41.061 21.928 469 HA GLU 98 HA GLU 98 0.581 39.172 23.398 470 HB2 GLU 98 HB2 GLU 98 -0.975 41.605 24.289 471 HB3 GLU 98 HB3 GLU 98 0.055 40.657 25.359 472 HG2 GLU 98 HG2 GLU 98 1.442 42.420 24.613 473 HG3 GLU 98 HG3 GLU 98 1.917 41.037 23.638 474 H SER 99 H SER 99 -2.887 39.833 23.233 475 HA SER 99 HA SER 99 -3.710 38.519 25.559 476 HB2 SER 99 HB2 SER 99 -5.167 39.915 24.073 477 HB3 SER 99 HB3 SER 99 -5.197 38.580 22.925 478 HG SER 99 HG SER 99 -6.907 38.324 24.269 479 H GLU 100 H GLU 100 -3.143 37.230 22.296 480 HA GLU 100 HA GLU 100 -4.055 34.615 22.809 481 HB2 GLU 100 HB2 GLU 100 -2.029 35.638 20.813 482 HB3 GLU 100 HB3 GLU 100 -2.679 33.997 20.816 483 HG2 GLU 100 HG2 GLU 100 -4.976 34.933 20.647 484 HG3 GLU 100 HG3 GLU 100 -4.291 36.550 20.562 485 H MET 101 H MET 101 -0.905 36.132 23.340 486 HA MET 101 HA MET 101 0.530 33.750 23.905 487 HB2 MET 101 HB2 MET 101 0.977 36.597 24.830 488 HB3 MET 101 HB3 MET 101 2.131 35.281 25.052 489 HG2 MET 101 HG2 MET 101 2.113 34.930 22.565 490 HG3 MET 101 HG3 MET 101 1.107 36.371 22.415 491 HE1 MET 101 HE1 MET 101 5.012 36.118 24.595 492 HE2 MET 101 HE2 MET 101 5.199 35.401 22.997 493 HE3 MET 101 HE3 MET 101 3.928 34.823 24.071 494 H MET 102 H MET 102 -1.100 36.094 26.038 495 HA MET 102 HA MET 102 -0.441 34.863 28.476 496 HB2 MET 102 HB2 MET 102 -2.888 36.499 27.756 497 HB3 MET 102 HB3 MET 102 -2.366 36.128 29.396 498 HG2 MET 102 HG2 MET 102 -0.765 37.684 27.342 499 HG3 MET 102 HG3 MET 102 -1.621 38.379 28.715 500 HE1 MET 102 HE1 MET 102 -1.325 37.785 31.007 501 HE2 MET 102 HE2 MET 102 0.171 37.288 31.791 502 HE3 MET 102 HE3 MET 102 -0.896 36.073 31.092 503 H LYS 103 H LYS 103 -3.099 34.267 26.237 504 HA LYS 103 HA LYS 103 -4.343 32.361 28.066 505 HB2 LYS 103 HB2 LYS 103 -5.128 33.321 25.310 506 HB3 LYS 103 HB3 LYS 103 -6.073 32.200 26.291 507 HG2 LYS 103 HG2 LYS 103 -6.166 33.915 28.099 508 HG3 LYS 103 HG3 LYS 103 -5.329 35.043 27.031 509 HD2 LYS 103 HD2 LYS 103 -7.169 34.763 25.363 510 HD3 LYS 103 HD3 LYS 103 -8.027 33.757 26.529 511 HE2 LYS 103 HE2 LYS 103 -8.432 35.541 27.978 512 HE3 LYS 103 HE3 LYS 103 -7.083 36.487 27.349 513 HZ1 LYS 103 HZ1 LYS 103 -8.737 37.545 26.273 514 HZ2 LYS 103 HZ2 LYS 103 -9.795 36.218 26.338 515 HZ3 LYS 103 HZ3 LYS 103 -8.567 36.271 25.166 516 H ALA 104 H ALA 104 -1.670 31.912 26.423 517 HA ALA 104 HA ALA 104 -2.024 29.954 24.503 518 HB1 ALA 104 HB1 ALA 104 0.194 29.841 26.541 519 HB2 ALA 104 HB2 ALA 104 0.141 31.078 25.285 520 HB3 ALA 104 HB3 ALA 104 0.243 29.373 24.841 521 H ALA 105 H ALA 105 -2.183 27.747 24.487 522 HA ALA 105 HA ALA 105 -2.885 26.444 27.055 523 HB1 ALA 105 HB1 ALA 105 -4.229 26.409 24.384 524 HB2 ALA 105 HB2 ALA 105 -4.939 26.470 25.997 525 HB3 ALA 105 HB3 ALA 105 -4.288 24.953 25.378 526 HA PRO 106 HA PRO 106 0.057 23.277 26.296 527 HB2 PRO 106 HB2 PRO 106 -2.002 21.132 26.241 528 HB3 PRO 106 HB3 PRO 106 -0.595 21.326 27.305 529 HG2 PRO 106 HG2 PRO 106 -3.070 21.752 28.177 530 HG3 PRO 106 HG3 PRO 106 -1.700 22.726 28.740 531 HD2 PRO 106 HD2 PRO 106 -3.841 23.456 26.780 532 HD3 PRO 106 HD3 PRO 106 -3.025 24.471 27.989 533 H GLY 107 H GLY 107 1.054 22.210 24.612 534 HA2 GLY 107 HA2 GLY 107 1.030 20.851 22.637 535 HA3 GLY 107 HA3 GLY 107 -0.560 21.488 22.254 536 H GLN 108 H GLN 108 0.697 24.280 23.017 537 HA GLN 108 HA GLN 108 1.513 24.847 20.275 538 HB2 GLN 108 HB2 GLN 108 1.009 26.657 22.645 539 HB3 GLN 108 HB3 GLN 108 1.470 27.225 21.038 540 HG2 GLN 108 HG2 GLN 108 -0.522 26.091 20.086 541 HG3 GLN 108 HG3 GLN 108 -1.000 25.601 21.712 542 HE21 GLN 108 HE21 GLN 108 -0.930 28.284 19.455 543 HE22 GLN 108 HE22 GLN 108 -1.730 29.394 20.460 544 H GLN 109 H GLN 109 3.445 26.072 19.790 545 HA GLN 109 HA GLN 109 5.676 25.314 21.590 546 HB2 GLN 109 HB2 GLN 109 5.629 25.685 18.585 547 HB3 GLN 109 HB3 GLN 109 7.067 25.317 19.540 548 HG2 GLN 109 HG2 GLN 109 5.912 23.263 20.384 549 HG3 GLN 109 HG3 GLN 109 4.581 23.606 19.293 550 HE21 GLN 109 HE21 GLN 109 7.303 24.520 17.514 551 HE22 GLN 109 HE22 GLN 109 7.612 23.033 16.759 552 H ILE 110 H ILE 110 7.342 26.739 21.933 553 HA ILE 110 HA ILE 110 7.031 29.502 20.934 554 HB ILE 110 HB ILE 110 7.914 28.629 23.701 555 HG12 ILE 110 HG12 ILE 110 5.480 30.212 22.831 556 HG13 ILE 110 HG13 ILE 110 5.452 28.487 23.193 557 HG21 ILE 110 HG21 ILE 110 7.928 31.079 24.170 558 HG22 ILE 110 HG22 ILE 110 7.635 31.383 22.457 559 HG23 ILE 110 HG23 ILE 110 9.136 30.613 22.973 560 HD11 ILE 110 HD11 ILE 110 6.176 28.908 25.480 561 HD12 ILE 110 HD12 ILE 110 4.756 29.896 25.135 562 HD13 ILE 110 HD13 ILE 110 6.357 30.629 25.141 563 H ILE 111 H ILE 111 8.912 30.485 20.233 564 HA ILE 111 HA ILE 111 11.314 28.757 20.160 565 HB ILE 111 HB ILE 111 10.610 31.088 18.358 566 HG12 ILE 111 HG12 ILE 111 10.538 28.113 17.768 567 HG13 ILE 111 HG13 ILE 111 9.106 29.083 18.113 568 HG21 ILE 111 HG21 ILE 111 12.475 30.225 16.990 569 HG22 ILE 111 HG22 ILE 111 12.774 28.965 18.188 570 HG23 ILE 111 HG23 ILE 111 13.035 30.658 18.605 571 HD11 ILE 111 HD11 ILE 111 11.046 29.509 15.821 572 HD12 ILE 111 HD12 ILE 111 9.680 30.561 16.193 573 HD13 ILE 111 HD13 ILE 111 9.398 28.893 15.693 574 H LEU 112 H LEU 112 13.084 29.372 21.201 575 HA LEU 112 HA LEU 112 13.324 32.183 22.107 576 HB2 LEU 112 HB2 LEU 112 14.326 29.637 23.398 577 HB3 LEU 112 HB3 LEU 112 14.695 31.267 23.965 578 HG LEU 112 HG LEU 112 11.838 30.414 23.556 579 HD11 LEU 112 HD11 LEU 112 13.561 29.938 26.007 580 HD12 LEU 112 HD12 LEU 112 12.791 28.703 25.011 581 HD13 LEU 112 HD13 LEU 112 11.804 29.798 25.978 582 HD21 LEU 112 HD21 LEU 112 12.185 32.770 23.928 583 HD22 LEU 112 HD22 LEU 112 13.293 32.453 25.263 584 HD23 LEU 112 HD23 LEU 112 11.575 32.097 25.440 585 HA PRO 113 HA PRO 113 16.996 31.386 19.456 586 HB2 PRO 113 HB2 PRO 113 17.171 33.792 18.239 587 HB3 PRO 113 HB3 PRO 113 16.010 32.555 17.715 588 HG2 PRO 113 HG2 PRO 113 15.561 35.002 19.330 589 HG3 PRO 113 HG3 PRO 113 14.526 34.246 18.106 590 HD2 PRO 113 HD2 PRO 113 14.188 33.975 20.856 591 HD3 PRO 113 HD3 PRO 113 13.516 32.879 19.631 592 H LEU 114 H LEU 114 17.571 31.604 22.010 593 HA LEU 114 HA LEU 114 19.279 33.983 22.377 594 HB2 LEU 114 HB2 LEU 114 17.635 33.420 24.172 595 HB3 LEU 114 HB3 LEU 114 18.473 31.886 24.408 596 HG LEU 114 HG LEU 114 20.597 33.238 24.774 597 HD11 LEU 114 HD11 LEU 114 20.095 35.622 25.554 598 HD12 LEU 114 HD12 LEU 114 18.529 35.446 24.762 599 HD13 LEU 114 HD13 LEU 114 20.013 35.347 23.814 600 HD21 LEU 114 HD21 LEU 114 19.987 33.805 27.105 601 HD22 LEU 114 HD22 LEU 114 19.316 32.243 26.635 602 HD23 LEU 114 HD23 LEU 114 18.279 33.668 26.687 603 H LYS 115 H LYS 115 21.418 33.794 22.156 604 HA LYS 115 HA LYS 115 22.565 31.087 21.896 605 HB2 LYS 115 HB2 LYS 115 23.575 33.779 20.950 606 HB3 LYS 115 HB3 LYS 115 24.436 32.253 20.746 607 HG2 LYS 115 HG2 LYS 115 22.470 31.349 19.506 608 HG3 LYS 115 HG3 LYS 115 21.701 32.932 19.628 609 HD2 LYS 115 HD2 LYS 115 23.668 33.930 18.455 610 HD3 LYS 115 HD3 LYS 115 24.320 32.306 18.237 611 HE2 LYS 115 HE2 LYS 115 23.160 32.801 16.212 612 HE3 LYS 115 HE3 LYS 115 22.100 31.717 17.113 613 HZ1 LYS 115 HZ1 LYS 115 20.645 33.366 16.573 614 HZ2 LYS 115 HZ2 LYS 115 21.826 34.588 16.600 615 HZ3 LYS 115 HZ3 LYS 115 21.205 33.971 18.055 616 H LYS 116 H LYS 116 24.363 30.468 23.054 617 HA LYS 116 HA LYS 116 25.253 32.295 25.214 618 HB2 LYS 116 HB2 LYS 116 24.937 29.286 25.346 619 HB3 LYS 116 HB3 LYS 116 25.534 30.322 26.643 620 HG2 LYS 116 HG2 LYS 116 23.338 31.585 26.504 621 HG3 LYS 116 HG3 LYS 116 22.761 30.312 25.429 622 HD2 LYS 116 HD2 LYS 116 23.824 29.843 28.229 623 HD3 LYS 116 HD3 LYS 116 22.114 29.924 27.809 624 HE2 LYS 116 HE2 LYS 116 22.491 28.042 26.186 625 HE3 LYS 116 HE3 LYS 116 24.136 27.903 26.806 626 HZ1 LYS 116 HZ1 LYS 116 21.631 27.592 28.368 627 HZ2 LYS 116 HZ2 LYS 116 23.195 27.559 29.030 628 HZ3 LYS 116 HZ3 LYS 116 22.708 26.355 27.935 629 H LEU 117 H LEU 117 27.425 32.344 25.674 630 HA LEU 117 HA LEU 117 29.211 30.732 23.950 631 HB2 LEU 117 HB2 LEU 117 28.856 33.258 23.352 632 HB3 LEU 117 HB3 LEU 117 29.910 33.541 24.738 633 HG LEU 117 HG LEU 117 31.523 31.866 23.683 634 HD11 LEU 117 HD11 LEU 117 29.508 32.222 21.466 635 HD12 LEU 117 HD12 LEU 117 30.200 30.726 22.093 636 HD13 LEU 117 HD13 LEU 117 31.187 31.811 21.112 637 HD21 LEU 117 HD21 LEU 117 32.229 34.091 23.526 638 HD22 LEU 117 HD22 LEU 117 30.837 34.567 22.553 639 HD23 LEU 117 HD23 LEU 117 32.140 33.627 21.827 640 HA PRO 118 HA PRO 118 30.527 30.395 28.343 641 HB2 PRO 118 HB2 PRO 118 30.808 27.720 28.519 642 HB3 PRO 118 HB3 PRO 118 29.216 28.502 28.603 643 HG2 PRO 118 HG2 PRO 118 30.479 27.026 26.367 644 HG3 PRO 118 HG3 PRO 118 28.778 27.114 26.851 645 HD2 PRO 118 HD2 PRO 118 29.954 28.578 24.767 646 HD3 PRO 118 HD3 PRO 118 28.383 28.921 25.519 647 H PHE 119 H PHE 119 32.201 30.694 25.770 648 HA PHE 119 HA PHE 119 34.643 29.293 26.663 649 HB2 PHE 119 HB2 PHE 119 33.991 30.681 24.061 650 HB3 PHE 119 HB3 PHE 119 35.537 29.948 24.443 651 HD1 PHE 119 HD2 PHE 119 35.716 27.474 24.702 652 HD2 PHE 119 HD1 PHE 119 32.092 29.378 23.402 653 HE1 PHE 119 HE2 PHE 119 34.875 25.297 23.862 654 HE2 PHE 119 HE1 PHE 119 31.250 27.202 22.561 655 HZ PHE 119 HZ PHE 119 32.642 25.161 22.791 656 H GLU 120 H GLU 120 36.210 30.405 27.645 657 HA GLU 120 HA GLU 120 35.902 33.152 28.301 658 HB2 GLU 120 HB2 GLU 120 37.109 31.470 29.700 659 HB3 GLU 120 HB3 GLU 120 38.410 31.475 28.508 660 HG2 GLU 120 HG2 GLU 120 38.656 33.931 28.834 661 HG3 GLU 120 HG3 GLU 120 37.425 33.867 30.087 662 H TYR 121 H TYR 121 37.775 31.457 25.839 663 HA TYR 121 HA TYR 121 39.522 33.566 25.162 664 HB2 TYR 121 HB2 TYR 121 38.493 31.293 23.464 665 HB3 TYR 121 HB3 TYR 121 39.844 32.331 23.048 666 HD1 TYR 121 HD2 TYR 121 41.919 32.292 24.487 667 HD2 TYR 121 HD1 TYR 121 38.734 29.445 24.935 668 HE1 TYR 121 HE2 TYR 121 43.442 30.786 25.738 669 HE2 TYR 121 HE1 TYR 121 40.255 27.940 26.187 670 HH TYR 121 HH TYR 121 42.471 27.589 26.674 671 H SER 122 H SER 122 36.256 32.789 24.072 672 HA SER 122 HA SER 122 36.310 35.191 22.331 673 HB2 SER 122 HB2 SER 122 34.588 34.115 20.987 674 HB3 SER 122 HB3 SER 122 35.983 33.049 21.122 675 HG SER 122 HG SER 122 34.855 31.865 22.566 676 H ALA 123 H ALA 123 34.395 36.480 22.259 677 HA ALA 123 HA ALA 123 32.393 36.018 24.345 678 HB1 ALA 123 HB1 ALA 123 33.974 37.347 25.557 679 HB2 ALA 123 HB2 ALA 123 32.649 38.417 25.101 680 HB3 ALA 123 HB3 ALA 123 34.167 38.462 24.204 681 H LEU 124 H LEU 124 30.439 37.080 23.988 682 HA LEU 124 HA LEU 124 30.189 38.584 21.452 683 HB2 LEU 124 HB2 LEU 124 28.519 36.289 22.469 684 HB3 LEU 124 HB3 LEU 124 27.882 37.454 21.306 685 HG LEU 124 HG LEU 124 30.500 36.008 20.870 686 HD11 LEU 124 HD11 LEU 124 28.624 34.376 21.099 687 HD12 LEU 124 HD12 LEU 124 29.284 34.426 19.464 688 HD13 LEU 124 HD13 LEU 124 27.759 35.236 19.825 689 HD21 LEU 124 HD21 LEU 124 30.369 37.871 19.436 690 HD22 LEU 124 HD22 LEU 124 28.626 37.703 19.226 691 HD23 LEU 124 HD23 LEU 124 29.722 36.564 18.443 692 HA PRO 125 HA PRO 125 28.335 40.899 24.983 693 HB2 PRO 125 HB2 PRO 125 29.236 43.379 24.354 694 HB3 PRO 125 HB3 PRO 125 30.237 42.191 25.214 695 HG2 PRO 125 HG2 PRO 125 30.288 42.986 22.353 696 HG3 PRO 125 HG3 PRO 125 31.629 42.588 23.442 697 HD2 PRO 125 HD2 PRO 125 30.586 40.837 21.578 698 HD3 PRO 125 HD3 PRO 125 31.462 40.336 23.040 699 H LEU 126 H LEU 126 26.331 40.316 23.793 700 HA LEU 126 HA LEU 126 25.313 42.484 22.067 701 HB2 LEU 126 HB2 LEU 126 25.132 40.133 21.241 702 HB3 LEU 126 HB3 LEU 126 24.104 39.764 22.626 703 HG LEU 126 HG LEU 126 22.599 41.671 21.869 704 HD11 LEU 126 HD11 LEU 126 24.517 41.498 19.545 705 HD12 LEU 126 HD12 LEU 126 23.972 42.933 20.414 706 HD13 LEU 126 HD13 LEU 126 22.870 42.088 19.327 707 HD21 LEU 126 HD21 LEU 126 22.002 39.329 21.467 708 HD22 LEU 126 HD22 LEU 126 23.010 39.300 20.019 709 HD23 LEU 126 HD23 LEU 126 21.559 40.302 20.063 710 H LEU 127 H LEU 127 23.945 43.935 22.900 711 HA LEU 127 HA LEU 127 22.849 43.435 25.589 712 HB2 LEU 127 HB2 LEU 127 23.071 46.023 24.034 713 HB3 LEU 127 HB3 LEU 127 22.531 45.858 25.704 714 HG LEU 127 HG LEU 127 25.267 45.028 24.691 715 HD11 LEU 127 HD11 LEU 127 24.480 47.420 26.384 716 HD12 LEU 127 HD12 LEU 127 24.866 47.502 24.664 717 HD13 LEU 127 HD13 LEU 127 26.103 47.014 25.823 718 HD21 LEU 127 HD21 LEU 127 23.905 45.031 27.385 719 HD22 LEU 127 HD22 LEU 127 25.662 45.115 27.261 720 HD23 LEU 127 HD23 LEU 127 24.797 43.725 26.606 721 H GLY 128 H GLY 128 20.748 43.098 25.894 722 HA2 GLY 128 HA2 GLY 128 18.895 42.801 23.795 723 HA3 GLY 128 HA3 GLY 128 18.489 42.910 25.505 724 H SER 129 H SER 129 19.613 45.537 25.915 725 HA SER 129 HA SER 129 17.352 47.108 25.350 726 HB2 SER 129 HB2 SER 129 20.156 48.036 26.016 727 HB3 SER 129 HB3 SER 129 18.686 48.995 26.155 728 HG SER 129 HG SER 129 18.021 47.585 27.723 729 H ALA 130 H ALA 130 17.096 48.907 23.972 730 HA ALA 130 HA ALA 130 18.861 48.956 21.595 731 HB1 ALA 130 HB1 ALA 130 16.823 47.805 20.974 732 HB2 ALA 130 HB2 ALA 130 16.811 49.411 20.247 733 HB3 ALA 130 HB3 ALA 130 15.839 49.085 21.683 734 HA PRO 131 HA PRO 131 18.851 53.148 23.629 735 HB2 PRO 131 HB2 PRO 131 20.892 53.480 21.468 736 HB3 PRO 131 HB3 PRO 131 20.937 54.023 23.157 737 HG2 PRO 131 HG2 PRO 131 22.311 51.896 22.345 738 HG3 PRO 131 HG3 PRO 131 21.558 51.965 23.947 739 HD2 PRO 131 HD2 PRO 131 20.743 50.387 21.567 740 HD3 PRO 131 HD3 PRO 131 20.473 50.054 23.290 741 H LEU 132 H LEU 132 19.028 52.499 20.123 742 HA LEU 132 HA LEU 132 18.132 54.994 19.226 743 HB2 LEU 132 HB2 LEU 132 19.140 53.222 17.790 744 HB3 LEU 132 HB3 LEU 132 17.632 52.316 17.909 745 HG LEU 132 HG LEU 132 16.445 54.367 17.007 746 HD11 LEU 132 HD11 LEU 132 17.993 56.119 17.420 747 HD12 LEU 132 HD12 LEU 132 18.051 55.880 15.674 748 HD13 LEU 132 HD13 LEU 132 19.326 55.220 16.697 749 HD21 LEU 132 HD21 LEU 132 17.206 53.955 14.662 750 HD22 LEU 132 HD22 LEU 132 16.930 52.460 15.556 751 HD23 LEU 132 HD23 LEU 132 18.575 53.041 15.297 752 H VAL 133 H VAL 133 16.308 52.137 20.244 753 HA VAL 133 HA VAL 133 13.783 53.564 19.707 754 HB VAL 133 HB VAL 133 14.228 50.655 20.429 755 HG11 VAL 133 HG11 VAL 133 11.873 50.473 19.514 756 HG12 VAL 133 HG12 VAL 133 11.803 52.235 19.535 757 HG13 VAL 133 HG13 VAL 133 12.004 51.342 21.043 758 HG21 VAL 133 HG21 VAL 133 13.812 50.199 18.063 759 HG22 VAL 133 HG22 VAL 133 15.185 51.297 18.212 760 HG23 VAL 133 HG23 VAL 133 13.604 51.921 17.743 761 H ALA 134 H ALA 134 12.519 54.285 21.314 762 HA ALA 134 HA ALA 134 13.425 53.825 24.082 763 HB1 ALA 134 HB1 ALA 134 11.890 56.013 22.718 764 HB2 ALA 134 HB2 ALA 134 13.306 56.128 23.764 765 HB3 ALA 134 HB3 ALA 134 11.723 55.776 24.458 766 H ALA 135 H ALA 135 12.024 53.111 25.673 767 HA ALA 135 HA ALA 135 9.297 52.353 24.880 768 HB1 ALA 135 HB1 ALA 135 11.062 50.437 24.629 769 HB2 ALA 135 HB2 ALA 135 9.525 50.100 25.426 770 HB3 ALA 135 HB3 ALA 135 10.975 50.375 26.389 771 H GLY 136 H GLY 136 7.906 51.897 26.710 772 HA2 GLY 136 HA2 GLY 136 8.899 52.642 29.356 773 HA3 GLY 136 HA3 GLY 136 7.684 53.701 28.647 774 H GLY 137 H GLY 137 6.708 52.853 30.797 775 HA2 GLY 137 HA2 GLY 137 4.385 51.717 30.690 776 HA3 GLY 137 HA3 GLY 137 5.346 50.269 30.403 777 H VAL 138 H VAL 138 6.195 52.930 32.569 778 HA VAL 138 HA VAL 138 5.834 51.115 34.883 779 HB VAL 138 HB VAL 138 8.055 53.143 34.498 780 HG11 VAL 138 HG11 VAL 138 8.974 52.027 36.539 781 HG12 VAL 138 HG12 VAL 138 7.478 51.103 36.669 782 HG13 VAL 138 HG13 VAL 138 7.448 52.858 36.843 783 HG21 VAL 138 HG21 VAL 138 8.125 50.107 34.437 784 HG22 VAL 138 HG22 VAL 138 9.524 51.174 34.311 785 HG23 VAL 138 HG23 VAL 138 8.309 51.158 33.032 786 H ALA 139 H ALA 139 4.792 51.948 36.605 787 HA ALA 139 HA ALA 139 3.854 54.739 36.402 788 HB1 ALA 139 HB1 ALA 139 2.746 52.246 37.643 789 HB2 ALA 139 HB2 ALA 139 1.950 53.423 36.597 790 HB3 ALA 139 HB3 ALA 139 2.270 53.818 38.286 791 H GLY 140 H GLY 140 3.878 56.082 38.262 792 HA2 GLY 140 HA2 GLY 140 4.477 56.536 40.544 793 HA3 GLY 140 HA3 GLY 140 5.629 55.208 40.472 794 H HIS 141 H HIS 141 6.715 56.018 37.862 795 HA HIS 141 HA HIS 141 8.433 58.195 38.822 796 HB2 HIS 141 HB2 HIS 141 8.755 56.356 36.454 797 HB3 HIS 141 HB3 HIS 141 9.932 57.533 37.005 798 HD1 HIS 141 HD1 HIS 141 10.769 57.078 39.606 799 HD2 HIS 141 HD2 HIS 141 9.108 53.858 37.543 800 HE1 HIS 141 HE1 HIS 141 11.494 54.989 40.837 801 H THR 142 H THR 142 5.613 58.383 37.376 802 HA THR 142 HA THR 142 5.963 59.632 34.898 803 HB THR 142 HB THR 142 3.856 60.280 36.973 804 HG1 THR 142 HG1 THR 142 3.460 58.259 36.625 805 HG21 THR 142 HG21 THR 142 3.694 61.865 35.225 806 HG22 THR 142 HG22 THR 142 2.527 60.618 34.788 807 HG23 THR 142 HG23 THR 142 4.100 60.672 33.992 808 H ASN 143 H ASN 143 6.107 60.960 38.179 809 HA ASN 143 HA ASN 143 6.148 63.683 37.574 810 HB2 ASN 143 HB2 ASN 143 6.046 62.604 39.867 811 HB3 ASN 143 HB3 ASN 143 7.791 62.390 39.753 812 HD21 ASN 143 HD21 ASN 143 8.040 63.921 41.589 813 HD22 ASN 143 HD22 ASN 143 7.881 65.591 41.327 814 H GLY 144 H GLY 144 8.791 61.321 37.591 815 HA2 GLY 144 HA2 GLY 144 10.831 61.368 36.514 816 HA3 GLY 144 HA3 GLY 144 10.291 62.819 35.674 817 H SER 145 H SER 145 10.527 62.364 39.177 818 HA SER 145 HA SER 145 12.648 64.437 39.248 819 HB2 SER 145 HB2 SER 145 11.637 65.312 41.280 820 HB3 SER 145 HB3 SER 145 10.439 65.299 39.989 821 HG SER 145 HG SER 145 9.657 63.404 40.897 822 H GLY 146 H GLY 146 14.092 64.327 41.051 823 HA2 GLY 146 HA2 GLY 146 15.260 63.287 42.773 824 HA3 GLY 146 HA3 GLY 146 14.076 61.988 42.759 825 H SER 147 H SER 147 15.626 62.904 39.760 826 HA SER 147 HA SER 147 17.490 60.617 40.000 827 HB2 SER 147 HB2 SER 147 16.990 59.966 37.711 828 HB3 SER 147 HB3 SER 147 15.500 59.984 38.648 829 HG SER 147 HG SER 147 15.338 62.187 37.795 830 H GLU 148 H GLU 148 19.507 60.972 39.237 831 HA GLU 148 HA GLU 148 20.339 63.638 38.679 832 HB2 GLU 148 HB2 GLU 148 21.762 61.890 39.769 833 HB3 GLU 148 HB3 GLU 148 21.887 61.083 38.205 834 HG2 GLU 148 HG2 GLU 148 22.819 63.177 37.233 835 HG3 GLU 148 HG3 GLU 148 22.768 63.915 38.828 836 H ASN 149 H ASN 149 19.704 60.808 36.660 837 HA ASN 149 HA ASN 149 20.848 61.659 34.265 838 HB2 ASN 149 HB2 ASN 149 18.350 60.013 34.713 839 HB3 ASN 149 HB3 ASN 149 19.186 60.168 33.170 840 HD21 ASN 149 HD21 ASN 149 18.869 57.662 34.667 841 HD22 ASN 149 HD22 ASN 149 20.430 57.134 35.073 842 H LEU 150 H LEU 150 17.718 62.484 35.691 843 HA LEU 150 HA LEU 150 17.012 64.077 33.334 844 HB2 LEU 150 HB2 LEU 150 15.447 63.555 35.873 845 HB3 LEU 150 HB3 LEU 150 14.839 64.355 34.424 846 HG LEU 150 HG LEU 150 15.887 61.510 34.509 847 HD11 LEU 150 HD11 LEU 150 13.097 62.672 34.593 848 HD12 LEU 150 HD12 LEU 150 13.825 61.510 35.703 849 HD13 LEU 150 HD13 LEU 150 13.408 61.019 34.062 850 HD21 LEU 150 HD21 LEU 150 14.607 63.222 32.362 851 HD22 LEU 150 HD22 LEU 150 14.692 61.463 32.249 852 HD23 LEU 150 HD23 LEU 150 16.175 62.417 32.307 853 H TYR 151 H TYR 151 16.905 66.275 33.311 854 HA TYR 151 HA TYR 151 17.369 67.747 35.803 855 HB2 TYR 151 HB2 TYR 151 19.180 69.029 34.904 856 HB3 TYR 151 HB3 TYR 151 19.581 67.331 34.758 857 HD1 TYR 151 HD2 TYR 151 19.525 66.223 32.524 858 HD2 TYR 151 HD1 TYR 151 18.913 70.449 32.992 859 HE1 TYR 151 HE2 TYR 151 19.949 66.553 30.103 860 HE2 TYR 151 HE1 TYR 151 19.339 70.778 30.571 861 HH TYR 151 HH TYR 151 19.694 68.107 28.407 862 H PHE 152 H PHE 152 16.978 70.090 35.546 863 HA PHE 152 HA PHE 152 15.332 70.799 33.217 864 HB2 PHE 152 HB2 PHE 152 13.560 71.683 34.614 865 HB3 PHE 152 HB3 PHE 152 13.787 69.975 34.939 866 HD1 PHE 152 HD2 PHE 152 14.884 69.241 37.052 867 HD2 PHE 152 HD1 PHE 152 13.942 73.360 36.281 868 HE1 PHE 152 HE2 PHE 152 15.153 69.754 39.464 869 HE2 PHE 152 HE1 PHE 152 14.212 73.873 38.693 870 HZ PHE 152 HZ PHE 152 14.818 72.070 40.285 871 H GLN 153 H GLN 153 14.908 73.140 33.101 872 HA GLN 153 HA GLN 153 17.215 74.650 34.141 873 HB2 GLN 153 HB2 GLN 153 16.821 74.604 31.676 874 HB3 GLN 153 HB3 GLN 153 15.275 75.410 31.946 875 HG2 GLN 153 HG2 GLN 153 16.852 77.135 31.421 876 HG3 GLN 153 HG3 GLN 153 16.563 77.234 33.157 877 HE21 GLN 153 HE21 GLN 153 18.581 77.879 33.984 878 HE22 GLN 153 HE22 GLN 153 20.040 77.068 33.673 Start of MODEL 12 1 H1 MET 39 HT1 MET 39 50.546 9.781 11.952 2 H2 MET 39 HT2 MET 39 51.306 8.716 13.035 3 H3 MET 39 HT3 MET 39 51.881 10.305 12.859 4 HA MET 39 HA MET 39 50.701 10.519 14.787 5 HB2 MET 39 HB2 MET 39 48.672 10.932 12.571 6 HB3 MET 39 HB3 MET 39 48.530 11.581 14.205 7 HG2 MET 39 HG2 MET 39 50.737 12.742 13.859 8 HG3 MET 39 HG3 MET 39 50.686 12.221 12.174 9 HE1 MET 39 HE1 MET 39 49.305 14.029 15.009 10 HE2 MET 39 HE2 MET 39 47.634 13.683 14.575 11 HE3 MET 39 HE3 MET 39 48.263 15.319 14.396 12 H ASN 40 H ASN 40 49.616 9.428 16.332 13 HA ASN 40 HA ASN 40 48.825 6.775 15.994 14 HB2 ASN 40 HB2 ASN 40 48.002 8.766 18.116 15 HB3 ASN 40 HB3 ASN 40 47.731 7.028 18.216 16 HD21 ASN 40 HD21 ASN 40 49.417 8.557 20.059 17 HD22 ASN 40 HD22 ASN 40 50.999 7.965 19.887 18 H GLY 41 H GLY 41 46.910 9.747 15.831 19 HA2 GLY 41 HA2 GLY 41 44.382 8.389 15.661 20 HA3 GLY 41 HA3 GLY 41 44.674 10.096 15.339 21 H GLU 42 H GLU 42 43.413 7.557 13.915 22 HA GLU 42 HA GLU 42 44.553 8.147 11.242 23 HB2 GLU 42 HB2 GLU 42 44.854 5.794 12.078 24 HB3 GLU 42 HB3 GLU 42 43.096 5.634 12.087 25 HG2 GLU 42 HG2 GLU 42 43.066 6.245 9.670 26 HG3 GLU 42 HG3 GLU 42 44.822 6.284 9.684 27 H ASN 43 H ASN 43 43.150 8.570 9.560 28 HA ASN 43 HA ASN 43 40.267 8.672 10.171 29 HB2 ASN 43 HB2 ASN 43 41.418 10.907 10.554 30 HB3 ASN 43 HB3 ASN 43 41.688 10.955 8.814 31 HD21 ASN 43 HD21 ASN 43 40.211 12.850 8.706 32 HD22 ASN 43 HD22 ASN 43 38.531 12.617 8.783 33 H TYR 44 H TYR 44 42.732 7.924 7.916 34 HA TYR 44 HA TYR 44 41.448 8.449 5.468 35 HB2 TYR 44 HB2 TYR 44 43.402 6.258 6.170 36 HB3 TYR 44 HB3 TYR 44 42.971 6.748 4.542 37 HD1 TYR 44 HD2 TYR 44 43.598 9.047 3.733 38 HD2 TYR 44 HD1 TYR 44 45.003 7.450 7.466 39 HE1 TYR 44 HE2 TYR 44 45.390 10.761 3.793 40 HE2 TYR 44 HE1 TYR 44 46.794 9.163 7.526 41 HH TYR 44 HH TYR 44 47.950 10.662 5.348 42 H PHE 45 H PHE 45 41.145 5.743 7.716 43 HA PHE 45 HA PHE 45 39.836 3.989 5.897 44 HB2 PHE 45 HB2 PHE 45 39.353 2.625 7.810 45 HB3 PHE 45 HB3 PHE 45 40.992 3.235 7.932 46 HD1 PHE 45 HD2 PHE 45 41.514 5.079 9.547 47 HD2 PHE 45 HD1 PHE 45 37.683 3.144 9.431 48 HE1 PHE 45 HE2 PHE 45 40.999 5.965 11.805 49 HE2 PHE 45 HE1 PHE 45 37.167 4.028 11.690 50 HZ PHE 45 HZ PHE 45 38.826 5.439 12.877 51 H LYS 46 H LYS 46 38.655 6.681 7.764 52 HA LYS 46 HA LYS 46 35.904 5.768 7.759 53 HB2 LYS 46 HB2 LYS 46 37.141 8.438 8.470 54 HB3 LYS 46 HB3 LYS 46 35.431 8.044 8.660 55 HG2 LYS 46 HG2 LYS 46 35.979 6.229 10.197 56 HG3 LYS 46 HG3 LYS 46 37.703 6.513 9.955 57 HD2 LYS 46 HD2 LYS 46 37.072 7.596 12.018 58 HD3 LYS 46 HD3 LYS 46 37.357 8.857 10.817 59 HE2 LYS 46 HE2 LYS 46 34.989 9.118 10.425 60 HE3 LYS 46 HE3 LYS 46 34.619 7.713 11.424 61 HZ1 LYS 46 HZ1 LYS 46 34.814 8.897 13.290 62 HZ2 LYS 46 HZ2 LYS 46 34.661 10.265 12.293 63 HZ3 LYS 46 HZ3 LYS 46 36.201 9.715 12.758 64 H LEU 47 H LEU 47 34.590 5.914 6.079 65 HA LEU 47 HA LEU 47 35.272 7.181 3.644 66 HB2 LEU 47 HB2 LEU 47 33.698 5.260 3.862 67 HB3 LEU 47 HB3 LEU 47 32.521 6.352 4.591 68 HG LEU 47 HG LEU 47 32.716 7.790 2.513 69 HD11 LEU 47 HD11 LEU 47 34.331 5.382 1.652 70 HD12 LEU 47 HD12 LEU 47 34.804 7.080 1.598 71 HD13 LEU 47 HD13 LEU 47 33.573 6.472 0.492 72 HD21 LEU 47 HD21 LEU 47 31.277 6.307 1.164 73 HD22 LEU 47 HD22 LEU 47 30.839 6.219 2.870 74 HD23 LEU 47 HD23 LEU 47 31.786 4.925 2.136 75 H GLY 48 H GLY 48 33.298 8.213 6.391 76 HA2 GLY 48 HA2 GLY 48 32.378 10.599 5.015 77 HA3 GLY 48 HA3 GLY 48 31.997 10.131 6.665 78 H SER 49 H SER 49 35.348 10.190 5.681 79 HA SER 49 HA SER 49 36.103 12.014 7.691 80 HB2 SER 49 HB2 SER 49 38.298 11.963 6.672 81 HB3 SER 49 HB3 SER 49 37.610 10.343 6.626 82 HG SER 49 HG SER 49 38.373 11.859 4.619 83 H ASP 50 H ASP 50 35.106 12.531 4.362 84 HA ASP 50 HA ASP 50 36.060 15.286 4.369 85 HB2 ASP 50 HB2 ASP 50 35.264 15.342 2.059 86 HB3 ASP 50 HB3 ASP 50 36.289 13.936 2.337 87 H SER 51 H SER 51 33.658 14.234 6.077 88 HA SER 51 HA SER 51 31.274 15.337 5.116 89 HB2 SER 51 HB2 SER 51 31.449 13.873 7.118 90 HB3 SER 51 HB3 SER 51 32.196 15.203 7.996 91 HG SER 51 HG SER 51 29.617 14.790 7.379 92 H LYS 52 H LYS 52 30.715 17.361 4.677 93 HA LYS 52 HA LYS 52 32.454 19.550 5.037 94 HB2 LYS 52 HB2 LYS 52 29.492 19.480 4.422 95 HB3 LYS 52 HB3 LYS 52 30.505 20.920 4.308 96 HG2 LYS 52 HG2 LYS 52 31.974 19.716 2.690 97 HG3 LYS 52 HG3 LYS 52 30.861 18.347 2.743 98 HD2 LYS 52 HD2 LYS 52 29.024 19.865 1.996 99 HD3 LYS 52 HD3 LYS 52 30.207 21.162 1.829 100 HE2 LYS 52 HE2 LYS 52 29.958 20.194 -0.350 101 HE3 LYS 52 HE3 LYS 52 31.505 19.624 0.275 102 HZ1 LYS 52 HZ1 LYS 52 30.501 17.562 0.908 103 HZ2 LYS 52 HZ2 LYS 52 30.140 17.853 -0.726 104 HZ3 LYS 52 HZ3 LYS 52 28.959 18.111 0.466 105 H LEU 53 H LEU 53 29.632 18.465 6.892 106 HA LEU 53 HA LEU 53 30.031 20.713 8.766 107 HB2 LEU 53 HB2 LEU 53 27.687 18.817 8.494 108 HB3 LEU 53 HB3 LEU 53 27.777 20.211 9.569 109 HG LEU 53 HG LEU 53 27.992 20.353 6.547 110 HD11 LEU 53 HD11 LEU 53 25.700 21.380 8.212 111 HD12 LEU 53 HD12 LEU 53 25.721 19.707 7.656 112 HD13 LEU 53 HD13 LEU 53 25.739 21.026 6.485 113 HD21 LEU 53 HD21 LEU 53 27.544 22.826 7.097 114 HD22 LEU 53 HD22 LEU 53 29.149 22.212 7.493 115 HD23 LEU 53 HD23 LEU 53 27.943 22.411 8.764 116 H LEU 54 H LEU 54 30.935 20.362 10.672 117 HA LEU 54 HA LEU 54 31.787 17.797 11.546 118 HB2 LEU 54 HB2 LEU 54 32.895 19.947 12.155 119 HB3 LEU 54 HB3 LEU 54 31.512 20.330 13.180 120 HG LEU 54 HG LEU 54 31.926 18.123 14.372 121 HD11 LEU 54 HD11 LEU 54 33.274 16.864 12.930 122 HD12 LEU 54 HD12 LEU 54 34.449 17.462 14.101 123 HD13 LEU 54 HD13 LEU 54 34.297 18.241 12.525 124 HD21 LEU 54 HD21 LEU 54 32.747 20.506 15.046 125 HD22 LEU 54 HD22 LEU 54 34.337 19.924 14.554 126 HD23 LEU 54 HD23 LEU 54 33.464 19.114 15.856 127 H THR 55 H THR 55 29.006 19.832 12.352 128 HA THR 55 HA THR 55 27.959 17.643 14.058 129 HB THR 55 HB THR 55 27.388 20.602 14.326 130 HG1 THR 55 HG1 THR 55 29.382 20.326 15.059 131 HG21 THR 55 HG21 THR 55 26.648 19.632 16.652 132 HG22 THR 55 HG22 THR 55 26.524 18.112 15.765 133 HG23 THR 55 HG23 THR 55 25.559 19.504 15.270 134 H HIS 56 H HIS 56 26.026 16.835 13.565 135 HA HIS 56 HA HIS 56 24.717 17.441 11.138 136 HB2 HIS 56 HB2 HIS 56 24.584 15.260 12.279 137 HB3 HIS 56 HB3 HIS 56 23.654 15.999 13.569 138 HD1 HIS 56 HD1 HIS 56 23.389 15.647 9.772 139 HD2 HIS 56 HD2 HIS 56 20.950 15.717 13.153 140 HE1 HIS 56 HE1 HIS 56 21.028 15.230 8.960 141 H ASN 57 H ASN 57 24.121 18.457 14.473 142 HA ASN 57 HA ASN 57 21.624 19.755 13.805 143 HB2 ASN 57 HB2 ASN 57 23.275 19.780 16.335 144 HB3 ASN 57 HB3 ASN 57 21.669 20.487 16.170 145 HD21 ASN 57 HD21 ASN 57 22.351 18.263 17.962 146 HD22 ASN 57 HD22 ASN 57 21.442 16.925 17.447 147 H SER 58 H SER 58 24.530 20.713 12.848 148 HA SER 58 HA SER 58 24.961 23.285 13.852 149 HB2 SER 58 HB2 SER 58 25.444 22.300 11.031 150 HB3 SER 58 HB3 SER 58 26.182 23.713 11.776 151 HG SER 58 HG SER 58 26.828 21.137 12.021 152 H TYR 59 H TYR 59 22.703 22.159 11.381 153 HA TYR 59 HA TYR 59 22.028 24.639 10.251 154 HB2 TYR 59 HB2 TYR 59 20.338 22.167 10.626 155 HB3 TYR 59 HB3 TYR 59 19.906 23.524 9.605 156 HD1 TYR 59 HD2 TYR 59 21.328 24.058 7.592 157 HD2 TYR 59 HD1 TYR 59 21.841 20.474 9.904 158 HE1 TYR 59 HE2 TYR 59 22.585 23.030 5.718 159 HE2 TYR 59 HE1 TYR 59 23.098 19.446 8.029 160 HH TYR 59 HH TYR 59 23.941 21.262 5.192 161 H GLN 60 H GLN 60 20.861 23.040 13.180 162 HA GLN 60 HA GLN 60 18.784 25.040 13.586 163 HB2 GLN 60 HB2 GLN 60 19.711 22.708 15.279 164 HB3 GLN 60 HB3 GLN 60 18.354 23.759 15.684 165 HG2 GLN 60 HG2 GLN 60 17.209 23.133 13.618 166 HG3 GLN 60 HG3 GLN 60 18.584 22.148 13.127 167 HE21 GLN 60 HE21 GLN 60 15.967 21.022 13.442 168 HE22 GLN 60 HE22 GLN 60 16.004 19.952 14.759 169 H ASN 61 H ASN 61 19.006 26.849 14.733 170 HA ASN 61 HA ASN 61 21.250 27.071 16.646 171 HB2 ASN 61 HB2 ASN 61 21.687 29.334 15.894 172 HB3 ASN 61 HB3 ASN 61 21.815 28.221 14.536 173 HD21 ASN 61 HD21 ASN 61 21.310 31.001 14.118 174 HD22 ASN 61 HD22 ASN 61 19.738 31.175 13.505 175 H ARG 62 H ARG 62 18.239 26.637 16.932 176 HA ARG 62 HA ARG 62 17.827 28.817 18.878 177 HB2 ARG 62 HB2 ARG 62 15.769 27.766 16.920 178 HB3 ARG 62 HB3 ARG 62 15.429 28.879 18.246 179 HG2 ARG 62 HG2 ARG 62 17.075 30.482 17.282 180 HG3 ARG 62 HG3 ARG 62 17.296 29.389 15.914 181 HD2 ARG 62 HD2 ARG 62 14.817 29.541 15.493 182 HD3 ARG 62 HD3 ARG 62 14.741 30.794 16.729 183 HE ARG 62 HE ARG 62 16.683 31.276 14.624 184 HH11 ARG 62 HH11 ARG 62 13.374 31.809 15.667 185 HH12 ARG 62 HH12 ARG 62 13.166 33.187 14.638 186 HH21 ARG 62 HH21 ARG 62 16.358 33.056 13.323 187 HH22 ARG 62 HH22 ARG 62 14.836 33.883 13.328 188 H LEU 63 H LEU 63 16.509 28.250 20.679 189 HA LEU 63 HA LEU 63 16.393 25.340 21.159 190 HB2 LEU 63 HB2 LEU 63 17.658 26.764 22.775 191 HB3 LEU 63 HB3 LEU 63 16.155 27.610 23.148 192 HG LEU 63 HG LEU 63 15.151 25.345 23.715 193 HD11 LEU 63 HD11 LEU 63 17.021 23.671 24.385 194 HD12 LEU 63 HD12 LEU 63 18.040 24.596 23.281 195 HD13 LEU 63 HD13 LEU 63 16.591 23.790 22.678 196 HD21 LEU 63 HD21 LEU 63 15.975 26.976 25.421 197 HD22 LEU 63 HD22 LEU 63 17.558 26.201 25.354 198 HD23 LEU 63 HD23 LEU 63 16.159 25.301 25.941 199 H PHE 64 H PHE 64 14.482 24.343 21.129 200 HA PHE 64 HA PHE 64 12.037 25.965 21.075 201 HB2 PHE 64 HB2 PHE 64 12.522 23.052 20.448 202 HB3 PHE 64 HB3 PHE 64 10.960 23.843 20.359 203 HD1 PHE 64 HD1 PHE 64 10.542 25.596 18.638 204 HD2 PHE 64 HD2 PHE 64 14.187 23.327 18.747 205 HE1 PHE 64 HE1 PHE 64 11.047 26.296 16.313 206 HE2 PHE 64 HE2 PHE 64 14.692 24.026 16.421 207 HZ PHE 64 HZ PHE 64 13.122 25.510 15.204 208 H TYR 65 H TYR 65 10.659 26.060 22.746 209 HA TYR 65 HA TYR 65 10.831 23.964 24.841 210 HB2 TYR 65 HB2 TYR 65 11.583 26.259 25.551 211 HB3 TYR 65 HB3 TYR 65 9.958 26.830 25.219 212 HD1 TYR 65 HD2 TYR 65 12.041 24.710 27.404 213 HD2 TYR 65 HD1 TYR 65 8.113 26.303 26.709 214 HE1 TYR 65 HE2 TYR 65 11.355 24.012 29.682 215 HE2 TYR 65 HE1 TYR 65 7.426 25.603 28.988 216 HH TYR 65 HH TYR 65 8.202 24.791 30.962 217 H THR 66 H THR 66 8.898 23.085 25.555 218 HA THR 66 HA THR 66 6.555 23.712 23.863 219 HB THR 66 HB THR 66 7.100 21.209 25.474 220 HG1 THR 66 HG1 THR 66 8.533 21.473 23.762 221 HG21 THR 66 HG21 THR 66 5.296 20.279 24.075 222 HG22 THR 66 HG22 THR 66 5.098 21.845 23.286 223 HG23 THR 66 HG23 THR 66 4.722 21.667 24.999 224 H LEU 67 H LEU 67 4.595 24.163 24.741 225 HA LEU 67 HA LEU 67 4.531 24.981 27.524 226 HB2 LEU 67 HB2 LEU 67 2.515 25.125 25.273 227 HB3 LEU 67 HB3 LEU 67 2.204 25.737 26.895 228 HG LEU 67 HG LEU 67 4.560 26.610 25.201 229 HD11 LEU 67 HD11 LEU 67 3.068 28.777 25.146 230 HD12 LEU 67 HD12 LEU 67 1.745 27.643 25.421 231 HD13 LEU 67 HD13 LEU 67 2.762 27.482 23.989 232 HD21 LEU 67 HD21 LEU 67 4.259 28.590 26.911 233 HD22 LEU 67 HD22 LEU 67 5.083 27.119 27.424 234 HD23 LEU 67 HD23 LEU 67 3.395 27.384 27.864 235 H LYS 68 H LYS 68 3.929 23.680 29.117 236 HA LYS 68 HA LYS 68 2.206 21.352 28.508 237 HB2 LYS 68 HB2 LYS 68 4.196 21.799 30.746 238 HB3 LYS 68 HB3 LYS 68 3.147 20.388 30.601 239 HG2 LYS 68 HG2 LYS 68 4.160 19.789 28.474 240 HG3 LYS 68 HG3 LYS 68 5.124 21.266 28.478 241 HD2 LYS 68 HD2 LYS 68 6.553 19.479 29.233 242 HD3 LYS 68 HD3 LYS 68 6.169 20.475 30.637 243 HE2 LYS 68 HE2 LYS 68 5.966 18.048 31.132 244 HE3 LYS 68 HE3 LYS 68 4.430 18.893 31.322 245 HZ1 LYS 68 HZ1 LYS 68 4.443 16.716 30.022 246 HZ2 LYS 68 HZ2 LYS 68 5.164 17.607 28.768 247 HZ3 LYS 68 HZ3 LYS 68 3.622 18.032 29.338 248 H THR 69 H THR 69 0.445 20.901 29.847 249 HA THR 69 HA THR 69 -1.060 23.068 30.738 250 HB THR 69 HB THR 69 -2.066 20.905 30.217 251 HG1 THR 69 HG1 THR 69 -2.504 21.315 32.911 252 HG21 THR 69 HG21 THR 69 -0.161 19.568 31.202 253 HG22 THR 69 HG22 THR 69 -1.768 18.974 31.622 254 HG23 THR 69 HG23 THR 69 -0.837 19.905 32.796 255 H GLY 70 H GLY 70 -1.239 24.176 32.591 256 HA2 GLY 70 HA2 GLY 70 -1.158 24.320 34.999 257 HA3 GLY 70 HA3 GLY 70 0.202 23.207 34.981 258 H GLU 71 H GLU 71 1.402 24.766 32.639 259 HA GLU 71 HA GLU 71 2.545 26.941 34.287 260 HB2 GLU 71 HB2 GLU 71 4.074 25.109 33.465 261 HB3 GLU 71 HB3 GLU 71 3.751 25.670 31.823 262 HG2 GLU 71 HG2 GLU 71 4.529 27.942 32.480 263 HG3 GLU 71 HG3 GLU 71 4.931 27.319 34.074 264 H THR 72 H THR 72 2.763 29.002 33.439 265 HA THR 72 HA THR 72 1.196 29.542 30.981 266 HB THR 72 HB THR 72 0.682 31.727 31.937 267 HG1 THR 72 HG1 THR 72 1.400 32.128 34.028 268 HG21 THR 72 HG21 THR 72 -0.683 29.651 32.513 269 HG22 THR 72 HG22 THR 72 -0.847 31.010 33.624 270 HG23 THR 72 HG23 THR 72 0.168 29.635 34.058 271 H VAL 73 H VAL 73 1.874 31.492 29.779 272 HA VAL 73 HA VAL 73 4.568 31.358 29.013 273 HB VAL 73 HB VAL 73 2.631 33.659 28.642 274 HG11 VAL 73 HG11 VAL 73 5.249 32.915 27.327 275 HG12 VAL 73 HG12 VAL 73 4.806 34.448 28.076 276 HG13 VAL 73 HG13 VAL 73 4.076 33.972 26.544 277 HG21 VAL 73 HG21 VAL 73 2.350 32.530 26.369 278 HG22 VAL 73 HG22 VAL 73 1.628 31.684 27.737 279 HG23 VAL 73 HG23 VAL 73 3.163 31.130 27.069 280 H ALA 74 H ALA 74 2.895 33.600 31.206 281 HA ALA 74 HA ALA 74 5.065 35.312 31.714 282 HB1 ALA 74 HB1 ALA 74 3.116 36.189 32.555 283 HB2 ALA 74 HB2 ALA 74 3.777 35.497 34.037 284 HB3 ALA 74 HB3 ALA 74 2.535 34.628 33.135 285 H ASP 75 H ASP 75 4.150 32.216 33.182 286 HA ASP 75 HA ASP 75 5.951 32.261 35.345 287 HB2 ASP 75 HB2 ASP 75 4.878 29.922 33.753 288 HB3 ASP 75 HB3 ASP 75 5.738 29.779 35.284 289 H LEU 76 H LEU 76 6.313 31.037 32.030 290 HA LEU 76 HA LEU 76 8.923 30.034 32.252 291 HB2 LEU 76 HB2 LEU 76 7.454 31.257 29.910 292 HB3 LEU 76 HB3 LEU 76 9.047 30.515 29.766 293 HG LEU 76 HG LEU 76 6.780 29.011 31.060 294 HD11 LEU 76 HD11 LEU 76 6.185 29.913 28.712 295 HD12 LEU 76 HD12 LEU 76 6.039 28.175 28.968 296 HD13 LEU 76 HD13 LEU 76 7.440 28.826 28.117 297 HD21 LEU 76 HD21 LEU 76 8.119 27.121 30.604 298 HD22 LEU 76 HD22 LEU 76 9.300 28.350 31.055 299 HD23 LEU 76 HD23 LEU 76 9.037 27.961 29.354 300 H SER 77 H SER 77 7.761 33.280 31.457 301 HA SER 77 HA SER 77 10.228 34.453 30.822 302 HB2 SER 77 HB2 SER 77 7.932 35.439 30.448 303 HB3 SER 77 HB3 SER 77 7.900 35.837 32.163 304 HG SER 77 HG SER 77 9.088 37.462 31.637 305 H LYS 78 H LYS 78 8.570 34.117 33.935 306 HA LYS 78 HA LYS 78 10.324 35.723 35.448 307 HB2 LYS 78 HB2 LYS 78 8.078 34.948 36.203 308 HB3 LYS 78 HB3 LYS 78 8.741 33.326 36.401 309 HG2 LYS 78 HG2 LYS 78 10.425 34.240 37.992 310 HG3 LYS 78 HG3 LYS 78 9.670 35.827 37.843 311 HD2 LYS 78 HD2 LYS 78 7.511 34.810 38.613 312 HD3 LYS 78 HD3 LYS 78 8.375 33.301 38.906 313 HE2 LYS 78 HE2 LYS 78 9.667 34.230 40.641 314 HE3 LYS 78 HE3 LYS 78 9.344 35.884 40.119 315 HZ1 LYS 78 HZ1 LYS 78 7.214 34.071 41.092 316 HZ2 LYS 78 HZ2 LYS 78 7.140 35.755 40.882 317 HZ3 LYS 78 HZ3 LYS 78 8.085 35.092 42.128 318 H SER 79 H SER 79 10.310 32.219 34.845 319 HA SER 79 HA SER 79 12.470 31.573 36.532 320 HB2 SER 79 HB2 SER 79 10.877 29.928 35.523 321 HB3 SER 79 HB3 SER 79 11.679 30.166 33.975 322 HG SER 79 HG SER 79 12.390 28.500 35.709 323 H GLN 80 H GLN 80 12.383 32.397 33.084 324 HA GLN 80 HA GLN 80 15.217 32.103 32.739 325 HB2 GLN 80 HB2 GLN 80 13.175 33.451 30.966 326 HB3 GLN 80 HB3 GLN 80 14.818 33.014 30.502 327 HG2 GLN 80 HG2 GLN 80 12.652 31.081 31.379 328 HG3 GLN 80 HG3 GLN 80 13.213 31.318 29.727 329 HE21 GLN 80 HE21 GLN 80 13.462 29.082 32.046 330 HE22 GLN 80 HE22 GLN 80 15.067 28.572 31.835 331 H ASP 81 H ASP 81 13.460 34.574 34.232 332 HA ASP 81 HA ASP 81 13.970 36.730 34.831 333 HB2 ASP 81 HB2 ASP 81 16.090 35.564 35.537 334 HB3 ASP 81 HB3 ASP 81 16.790 36.032 33.990 335 H ILE 82 H ILE 82 12.928 36.370 32.290 336 HA ILE 82 HA ILE 82 14.343 38.415 30.679 337 HB ILE 82 HB ILE 82 12.474 36.231 29.713 338 HG12 ILE 82 HG12 ILE 82 15.474 36.505 29.347 339 HG13 ILE 82 HG13 ILE 82 14.718 35.431 30.525 340 HG21 ILE 82 HG21 ILE 82 13.217 36.959 27.474 341 HG22 ILE 82 HG22 ILE 82 14.191 38.231 28.209 342 HG23 ILE 82 HG23 ILE 82 12.434 38.283 28.336 343 HD11 ILE 82 HD11 ILE 82 13.466 34.345 28.639 344 HD12 ILE 82 HD12 ILE 82 15.214 34.139 28.537 345 HD13 ILE 82 HD13 ILE 82 14.404 35.326 27.514 346 H ASN 83 H ASN 83 13.082 40.054 29.732 347 HA ASN 83 HA ASN 83 10.700 40.736 31.226 348 HB2 ASN 83 HB2 ASN 83 12.100 42.127 28.932 349 HB3 ASN 83 HB3 ASN 83 10.739 42.794 29.830 350 HD21 ASN 83 HD21 ASN 83 13.400 43.996 29.745 351 HD22 ASN 83 HD22 ASN 83 14.011 43.964 31.328 352 H LEU 84 H LEU 84 8.608 40.741 30.510 353 HA LEU 84 HA LEU 84 7.812 38.906 28.556 354 HB2 LEU 84 HB2 LEU 84 6.275 41.294 29.609 355 HB3 LEU 84 HB3 LEU 84 5.575 39.920 28.753 356 HG LEU 84 HG LEU 84 7.097 39.724 31.370 357 HD11 LEU 84 HD11 LEU 84 5.082 40.740 31.990 358 HD12 LEU 84 HD12 LEU 84 4.669 39.029 32.106 359 HD13 LEU 84 HD13 LEU 84 4.177 39.961 30.693 360 HD21 LEU 84 HD21 LEU 84 7.279 37.658 30.158 361 HD22 LEU 84 HD22 LEU 84 5.588 37.730 29.659 362 HD23 LEU 84 HD23 LEU 84 5.998 37.423 31.347 363 H SER 85 H SER 85 8.427 42.380 28.293 364 HA SER 85 HA SER 85 7.297 42.805 25.754 365 HB2 SER 85 HB2 SER 85 8.122 44.595 27.307 366 HB3 SER 85 HB3 SER 85 9.768 44.141 26.878 367 HG SER 85 HG SER 85 8.706 45.839 25.613 368 H THR 86 H THR 86 10.552 41.750 26.712 369 HA THR 86 HA THR 86 11.685 41.733 24.125 370 HB THR 86 HB THR 86 12.396 39.933 26.452 371 HG1 THR 86 HG1 THR 86 12.404 42.160 26.928 372 HG21 THR 86 HG21 THR 86 14.602 39.886 25.412 373 HG22 THR 86 HG22 THR 86 14.055 40.982 24.143 374 HG23 THR 86 HG23 THR 86 13.395 39.351 24.243 375 H ILE 87 H ILE 87 10.024 39.202 25.982 376 HA ILE 87 HA ILE 87 10.456 37.066 24.217 377 HB ILE 87 HB ILE 87 8.041 37.558 25.985 378 HG12 ILE 87 HG12 ILE 87 10.593 36.024 26.564 379 HG13 ILE 87 HG13 ILE 87 10.275 37.659 27.142 380 HG21 ILE 87 HG21 ILE 87 7.767 35.138 25.923 381 HG22 ILE 87 HG22 ILE 87 9.217 34.965 24.933 382 HG23 ILE 87 HG23 ILE 87 7.783 35.749 24.269 383 HD11 ILE 87 HD11 ILE 87 8.655 35.177 27.776 384 HD12 ILE 87 HD12 ILE 87 8.205 36.812 28.261 385 HD13 ILE 87 HD13 ILE 87 9.678 36.078 28.894 386 H TRP 88 H TRP 88 7.818 39.436 24.362 387 HA TRP 88 HA TRP 88 6.288 38.432 22.238 388 HB2 TRP 88 HB2 TRP 88 5.493 40.150 23.805 389 HB3 TRP 88 HB3 TRP 88 6.619 41.302 23.111 390 HD1 TRP 88 HD1 TRP 88 3.382 39.425 22.356 391 HE1 TRP 88 HE1 TRP 88 2.187 40.591 20.393 392 HE3 TRP 88 HE3 TRP 88 6.972 42.799 21.019 393 HZ2 TRP 88 HZ2 TRP 88 2.689 42.682 18.500 394 HZ3 TRP 88 HZ3 TRP 88 6.591 44.362 19.138 395 HH2 TRP 88 HH2 TRP 88 4.459 44.309 17.877 396 H SER 89 H SER 89 8.915 40.849 22.204 397 HA SER 89 HA SER 89 8.699 41.656 19.560 398 HB2 SER 89 HB2 SER 89 10.965 42.433 19.738 399 HB3 SER 89 HB3 SER 89 10.207 42.640 21.312 400 HG SER 89 HG SER 89 11.148 40.443 21.636 401 H LEU 90 H LEU 90 10.432 38.843 20.873 402 HA LEU 90 HA LEU 90 11.520 38.048 18.351 403 HB2 LEU 90 HB2 LEU 90 11.055 36.424 20.864 404 HB3 LEU 90 HB3 LEU 90 12.064 35.943 19.501 405 HG LEU 90 HG LEU 90 12.501 38.459 21.135 406 HD11 LEU 90 HD11 LEU 90 12.850 36.191 22.310 407 HD12 LEU 90 HD12 LEU 90 14.214 37.307 22.308 408 HD13 LEU 90 HD13 LEU 90 14.184 35.950 21.183 409 HD21 LEU 90 HD21 LEU 90 14.038 37.062 18.931 410 HD22 LEU 90 HD22 LEU 90 14.774 38.271 19.981 411 HD23 LEU 90 HD23 LEU 90 13.425 38.715 18.936 412 H ASN 91 H ASN 91 8.781 36.780 20.274 413 HA ASN 91 HA ASN 91 8.091 34.968 18.103 414 HB2 ASN 91 HB2 ASN 91 6.931 35.349 20.861 415 HB3 ASN 91 HB3 ASN 91 6.374 34.138 19.707 416 HD21 ASN 91 HD21 ASN 91 9.510 35.262 21.122 417 HD22 ASN 91 HD22 ASN 91 10.162 33.699 21.252 418 H LYS 92 H LYS 92 7.421 38.138 18.408 419 HA LYS 92 HA LYS 92 4.702 38.462 18.183 420 HB2 LYS 92 HB2 LYS 92 5.156 40.520 17.008 421 HB3 LYS 92 HB3 LYS 92 6.376 40.290 18.256 422 HG2 LYS 92 HG2 LYS 92 7.909 39.347 16.514 423 HG3 LYS 92 HG3 LYS 92 6.700 39.736 15.291 424 HD2 LYS 92 HD2 LYS 92 6.789 42.134 16.151 425 HD3 LYS 92 HD3 LYS 92 8.219 41.657 17.066 426 HE2 LYS 92 HE2 LYS 92 9.450 41.163 15.099 427 HE3 LYS 92 HE3 LYS 92 7.999 41.157 14.097 428 HZ1 LYS 92 HZ1 LYS 92 8.036 43.368 13.894 429 HZ2 LYS 92 HZ2 LYS 92 9.659 43.252 14.382 430 HZ3 LYS 92 HZ3 LYS 92 8.453 43.625 15.518 431 H HIS 93 H HIS 93 6.878 37.104 15.781 432 HA HIS 93 HA HIS 93 4.996 37.284 13.624 433 HB2 HIS 93 HB2 HIS 93 6.544 36.039 12.349 434 HB3 HIS 93 HB3 HIS 93 7.476 37.125 13.354 435 HD1 HIS 93 HD1 HIS 93 8.818 35.991 15.378 436 HD2 HIS 93 HD2 HIS 93 7.053 33.326 12.696 437 HE1 HIS 93 HE1 HIS 93 9.914 33.750 15.770 438 H LEU 94 H LEU 94 5.762 34.845 16.058 439 HA LEU 94 HA LEU 94 4.296 32.723 14.857 440 HB2 LEU 94 HB2 LEU 94 4.990 33.159 17.771 441 HB3 LEU 94 HB3 LEU 94 4.460 31.640 17.051 442 HG LEU 94 HG LEU 94 6.953 33.155 16.230 443 HD11 LEU 94 HD11 LEU 94 8.213 31.694 17.558 444 HD12 LEU 94 HD12 LEU 94 6.912 30.508 17.655 445 HD13 LEU 94 HD13 LEU 94 6.810 32.006 18.580 446 HD21 LEU 94 HD21 LEU 94 5.771 30.477 15.451 447 HD22 LEU 94 HD22 LEU 94 7.450 30.911 15.129 448 HD23 LEU 94 HD23 LEU 94 6.144 31.836 14.390 449 H TYR 95 H TYR 95 3.445 35.173 17.278 450 HA TYR 95 HA TYR 95 0.633 34.240 17.152 451 HB2 TYR 95 HB2 TYR 95 2.042 35.807 19.313 452 HB3 TYR 95 HB3 TYR 95 0.358 35.320 19.337 453 HD1 TYR 95 HD2 TYR 95 -0.210 32.856 19.410 454 HD2 TYR 95 HD1 TYR 95 3.782 34.337 19.984 455 HE1 TYR 95 HE2 TYR 95 0.441 30.700 20.449 456 HE2 TYR 95 HE1 TYR 95 4.433 32.181 21.023 457 HH TYR 95 HH TYR 95 3.552 29.772 20.947 458 H SER 96 H SER 96 -1.031 35.764 16.989 459 HA SER 96 HA SER 96 -0.389 37.925 15.216 460 HB2 SER 96 HB2 SER 96 -3.034 37.225 16.505 461 HB3 SER 96 HB3 SER 96 -2.793 38.285 15.121 462 HG SER 96 HG SER 96 -2.439 36.568 13.940 463 H SER 97 H SER 97 -1.419 37.690 18.601 464 HA SER 97 HA SER 97 -0.692 40.489 19.003 465 HB2 SER 97 HB2 SER 97 -2.832 41.151 19.886 466 HB3 SER 97 HB3 SER 97 -3.091 40.481 18.278 467 HG SER 97 HG SER 97 -3.632 39.367 20.754 468 H GLU 98 H GLU 98 -1.032 41.106 21.356 469 HA GLU 98 HA GLU 98 0.396 39.284 22.991 470 HB2 GLU 98 HB2 GLU 98 -1.169 41.770 23.709 471 HB3 GLU 98 HB3 GLU 98 -0.152 40.879 24.839 472 HG2 GLU 98 HG2 GLU 98 1.268 42.577 24.045 473 HG3 GLU 98 HG3 GLU 98 1.721 41.174 23.088 474 H SER 99 H SER 99 -3.050 39.978 22.640 475 HA SER 99 HA SER 99 -4.001 38.817 24.995 476 HB2 SER 99 HB2 SER 99 -5.364 40.131 23.353 477 HB3 SER 99 HB3 SER 99 -5.354 38.726 22.292 478 HG SER 99 HG SER 99 -6.756 39.174 24.549 479 H GLU 100 H GLU 100 -3.269 37.321 21.857 480 HA GLU 100 HA GLU 100 -4.236 34.747 22.470 481 HB2 GLU 100 HB2 GLU 100 -2.061 35.627 20.562 482 HB3 GLU 100 HB3 GLU 100 -2.732 33.995 20.620 483 HG2 GLU 100 HG2 GLU 100 -4.998 34.943 20.231 484 HG3 GLU 100 HG3 GLU 100 -4.285 36.544 20.090 485 H MET 101 H MET 101 -1.111 36.280 23.114 486 HA MET 101 HA MET 101 0.257 33.937 23.939 487 HB2 MET 101 HB2 MET 101 0.658 36.831 24.731 488 HB3 MET 101 HB3 MET 101 1.787 35.525 25.094 489 HG2 MET 101 HG2 MET 101 1.917 35.044 22.630 490 HG3 MET 101 HG3 MET 101 0.947 36.490 22.346 491 HE1 MET 101 HE1 MET 101 5.228 36.164 23.922 492 HE2 MET 101 HE2 MET 101 4.132 34.876 23.428 493 HE3 MET 101 HE3 MET 101 3.879 35.698 24.966 494 H MET 102 H MET 102 -1.541 36.402 25.778 495 HA MET 102 HA MET 102 -1.086 35.347 28.340 496 HB2 MET 102 HB2 MET 102 -3.488 36.872 27.302 497 HB3 MET 102 HB3 MET 102 -3.104 36.625 29.001 498 HG2 MET 102 HG2 MET 102 -1.365 38.082 26.989 499 HG3 MET 102 HG3 MET 102 -2.347 38.842 28.237 500 HE1 MET 102 HE1 MET 102 -1.468 36.691 31.015 501 HE2 MET 102 HE2 MET 102 -2.397 38.082 30.463 502 HE3 MET 102 HE3 MET 102 -0.944 38.328 31.430 503 H LYS 103 H LYS 103 -3.534 34.558 25.928 504 HA LYS 103 HA LYS 103 -4.874 32.710 27.752 505 HB2 LYS 103 HB2 LYS 103 -5.469 33.518 24.902 506 HB3 LYS 103 HB3 LYS 103 -6.458 32.419 25.863 507 HG2 LYS 103 HG2 LYS 103 -6.731 34.216 27.571 508 HG3 LYS 103 HG3 LYS 103 -5.840 35.315 26.516 509 HD2 LYS 103 HD2 LYS 103 -7.538 34.905 24.729 510 HD3 LYS 103 HD3 LYS 103 -8.461 33.932 25.874 511 HE2 LYS 103 HE2 LYS 103 -8.631 35.887 27.385 512 HE3 LYS 103 HE3 LYS 103 -7.743 36.859 26.212 513 HZ1 LYS 103 HZ1 LYS 103 -10.165 37.121 26.035 514 HZ2 LYS 103 HZ2 LYS 103 -10.307 35.471 25.658 515 HZ3 LYS 103 HZ3 LYS 103 -9.475 36.516 24.608 516 H ALA 104 H ALA 104 -2.070 32.255 26.365 517 HA ALA 104 HA ALA 104 -2.206 30.234 24.489 518 HB1 ALA 104 HB1 ALA 104 -0.227 30.820 26.677 519 HB2 ALA 104 HB2 ALA 104 -0.069 31.097 24.943 520 HB3 ALA 104 HB3 ALA 104 -0.004 29.454 25.583 521 H ALA 105 H ALA 105 -2.277 28.016 24.534 522 HA ALA 105 HA ALA 105 -3.200 26.770 27.058 523 HB1 ALA 105 HB1 ALA 105 -4.434 25.216 25.306 524 HB2 ALA 105 HB2 ALA 105 -4.314 26.651 24.287 525 HB3 ALA 105 HB3 ALA 105 -5.157 26.737 25.833 526 HA PRO 106 HA PRO 106 -0.159 23.646 26.571 527 HB2 PRO 106 HB2 PRO 106 -2.111 21.417 26.553 528 HB3 PRO 106 HB3 PRO 106 -0.821 21.783 27.712 529 HG2 PRO 106 HG2 PRO 106 -3.402 22.119 28.306 530 HG3 PRO 106 HG3 PRO 106 -2.137 23.186 28.943 531 HD2 PRO 106 HD2 PRO 106 -4.085 23.700 26.725 532 HD3 PRO 106 HD3 PRO 106 -3.460 24.816 27.961 533 H GLY 107 H GLY 107 0.939 22.487 25.009 534 HA2 GLY 107 HA2 GLY 107 1.039 21.031 23.113 535 HA3 GLY 107 HA3 GLY 107 -0.539 21.615 22.615 536 H GLN 108 H GLN 108 0.772 24.451 23.342 537 HA GLN 108 HA GLN 108 1.588 24.912 20.579 538 HB2 GLN 108 HB2 GLN 108 1.108 26.802 22.887 539 HB3 GLN 108 HB3 GLN 108 1.622 27.318 21.280 540 HG2 GLN 108 HG2 GLN 108 -0.379 26.212 20.308 541 HG3 GLN 108 HG3 GLN 108 -0.909 25.784 21.932 542 HE21 GLN 108 HE21 GLN 108 -0.682 28.407 19.613 543 HE22 GLN 108 HE22 GLN 108 -1.486 29.563 20.561 544 H GLN 109 H GLN 109 3.531 26.169 20.087 545 HA GLN 109 HA GLN 109 5.764 25.375 21.868 546 HB2 GLN 109 HB2 GLN 109 5.689 25.723 18.863 547 HB3 GLN 109 HB3 GLN 109 7.143 25.377 19.800 548 HG2 GLN 109 HG2 GLN 109 6.167 23.286 20.607 549 HG3 GLN 109 HG3 GLN 109 4.661 23.637 19.764 550 HE21 GLN 109 HE21 GLN 109 6.167 21.262 19.217 551 HE22 GLN 109 HE22 GLN 109 6.774 21.370 17.636 552 H ILE 110 H ILE 110 7.456 26.779 22.192 553 HA ILE 110 HA ILE 110 7.157 29.550 21.207 554 HB ILE 110 HB ILE 110 8.141 28.647 23.930 555 HG12 ILE 110 HG12 ILE 110 5.683 30.256 23.186 556 HG13 ILE 110 HG13 ILE 110 5.655 28.525 23.516 557 HG21 ILE 110 HG21 ILE 110 7.834 31.404 22.704 558 HG22 ILE 110 HG22 ILE 110 9.344 30.628 23.184 559 HG23 ILE 110 HG23 ILE 110 8.168 31.102 24.409 560 HD11 ILE 110 HD11 ILE 110 6.453 28.885 25.778 561 HD12 ILE 110 HD12 ILE 110 5.057 29.929 25.505 562 HD13 ILE 110 HD13 ILE 110 6.683 30.606 25.467 563 H ILE 111 H ILE 111 9.009 30.501 20.419 564 HA ILE 111 HA ILE 111 11.397 28.758 20.262 565 HB ILE 111 HB ILE 111 10.633 31.083 18.476 566 HG12 ILE 111 HG12 ILE 111 10.524 28.105 17.908 567 HG13 ILE 111 HG13 ILE 111 9.111 29.085 18.302 568 HG21 ILE 111 HG21 ILE 111 12.780 28.950 18.232 569 HG22 ILE 111 HG22 ILE 111 13.063 30.644 18.629 570 HG23 ILE 111 HG23 ILE 111 12.438 30.205 17.040 571 HD11 ILE 111 HD11 ILE 111 9.098 29.104 15.957 572 HD12 ILE 111 HD12 ILE 111 10.856 29.190 15.853 573 HD13 ILE 111 HD13 ILE 111 9.933 30.609 16.345 574 H LEU 112 H LEU 112 13.229 29.383 21.198 575 HA LEU 112 HA LEU 112 13.484 32.183 22.131 576 HB2 LEU 112 HB2 LEU 112 14.543 29.633 23.362 577 HB3 LEU 112 HB3 LEU 112 14.898 31.261 23.944 578 HG LEU 112 HG LEU 112 12.049 30.354 23.589 579 HD11 LEU 112 HD11 LEU 112 12.010 29.572 25.882 580 HD12 LEU 112 HD12 LEU 112 13.698 30.029 26.112 581 HD13 LEU 112 HD13 LEU 112 13.283 28.700 25.028 582 HD21 LEU 112 HD21 LEU 112 11.793 32.023 25.489 583 HD22 LEU 112 HD22 LEU 112 12.341 32.714 23.961 584 HD23 LEU 112 HD23 LEU 112 13.495 32.424 25.263 585 HA PRO 113 HA PRO 113 17.078 31.589 19.279 586 HB2 PRO 113 HB2 PRO 113 17.522 34.274 18.864 587 HB3 PRO 113 HB3 PRO 113 16.414 33.293 17.886 588 HG2 PRO 113 HG2 PRO 113 15.814 35.162 20.117 589 HG3 PRO 113 HG3 PRO 113 14.929 34.880 18.606 590 HD2 PRO 113 HD2 PRO 113 14.111 33.837 20.982 591 HD3 PRO 113 HD3 PRO 113 13.828 33.018 19.430 592 H LEU 114 H LEU 114 18.891 31.087 20.380 593 HA LEU 114 HA LEU 114 19.585 32.649 22.768 594 HB2 LEU 114 HB2 LEU 114 20.685 30.005 21.788 595 HB3 LEU 114 HB3 LEU 114 21.037 30.766 23.339 596 HG LEU 114 HG LEU 114 18.270 29.931 22.418 597 HD11 LEU 114 HD11 LEU 114 18.586 28.221 24.291 598 HD12 LEU 114 HD12 LEU 114 20.302 28.627 24.243 599 HD13 LEU 114 HD13 LEU 114 19.519 27.931 22.824 600 HD21 LEU 114 HD21 LEU 114 17.926 30.225 24.992 601 HD22 LEU 114 HD22 LEU 114 17.962 31.668 23.977 602 HD23 LEU 114 HD23 LEU 114 19.387 31.209 24.908 603 H LYS 115 H LYS 115 21.283 33.948 22.874 604 HA LYS 115 HA LYS 115 22.856 34.649 20.642 605 HB2 LYS 115 HB2 LYS 115 23.310 35.119 23.593 606 HB3 LYS 115 HB3 LYS 115 24.239 35.886 22.304 607 HG2 LYS 115 HG2 LYS 115 22.116 36.805 21.370 608 HG3 LYS 115 HG3 LYS 115 21.249 36.123 22.747 609 HD2 LYS 115 HD2 LYS 115 22.715 37.450 24.274 610 HD3 LYS 115 HD3 LYS 115 23.452 38.203 22.859 611 HE2 LYS 115 HE2 LYS 115 20.986 38.771 22.194 612 HE3 LYS 115 HE3 LYS 115 20.645 38.489 23.900 613 HZ1 LYS 115 HZ1 LYS 115 21.784 40.312 24.528 614 HZ2 LYS 115 HZ2 LYS 115 21.422 40.832 22.951 615 HZ3 LYS 115 HZ3 LYS 115 22.945 40.164 23.300 616 H LYS 116 H LYS 116 23.284 32.156 23.051 617 HA LYS 116 HA LYS 116 26.026 31.878 23.189 618 HB2 LYS 116 HB2 LYS 116 23.909 29.719 23.167 619 HB3 LYS 116 HB3 LYS 116 25.583 29.477 23.668 620 HG2 LYS 116 HG2 LYS 116 25.289 31.260 25.388 621 HG3 LYS 116 HG3 LYS 116 23.589 31.380 24.932 622 HD2 LYS 116 HD2 LYS 116 23.318 28.955 25.470 623 HD3 LYS 116 HD3 LYS 116 24.986 28.930 26.045 624 HE2 LYS 116 HE2 LYS 116 24.511 30.392 27.843 625 HE3 LYS 116 HE3 LYS 116 22.984 30.910 27.129 626 HZ1 LYS 116 HZ1 LYS 116 23.605 28.226 28.235 627 HZ2 LYS 116 HZ2 LYS 116 22.166 28.621 27.421 628 HZ3 LYS 116 HZ3 LYS 116 22.547 29.376 28.895 629 H LEU 117 H LEU 117 23.893 30.924 20.553 630 HA LEU 117 HA LEU 117 26.252 29.873 19.091 631 HB2 LEU 117 HB2 LEU 117 24.267 28.298 19.699 632 HB3 LEU 117 HB3 LEU 117 23.424 29.140 18.398 633 HG LEU 117 HG LEU 117 26.189 28.019 17.973 634 HD11 LEU 117 HD11 LEU 117 23.561 26.569 17.535 635 HD12 LEU 117 HD12 LEU 117 24.726 26.186 18.801 636 HD13 LEU 117 HD13 LEU 117 25.162 25.968 17.107 637 HD21 LEU 117 HD21 LEU 117 25.060 27.826 15.615 638 HD22 LEU 117 HD22 LEU 117 25.580 29.412 16.186 639 HD23 LEU 117 HD23 LEU 117 23.880 28.954 16.282 640 HA PRO 118 HA PRO 118 24.828 33.760 16.931 641 HB2 PRO 118 HB2 PRO 118 27.701 33.771 16.159 642 HB3 PRO 118 HB3 PRO 118 26.690 35.093 16.770 643 HG2 PRO 118 HG2 PRO 118 28.537 33.943 18.293 644 HG3 PRO 118 HG3 PRO 118 26.991 34.496 18.962 645 HD2 PRO 118 HD2 PRO 118 27.872 31.703 18.334 646 HD3 PRO 118 HD3 PRO 118 26.862 32.296 19.672 647 H PHE 119 H PHE 119 24.608 34.101 14.662 648 HA PHE 119 HA PHE 119 25.652 31.987 12.896 649 HB2 PHE 119 HB2 PHE 119 23.487 31.696 11.848 650 HB3 PHE 119 HB3 PHE 119 23.381 31.329 13.558 651 HD1 PHE 119 HD2 PHE 119 22.261 32.927 15.113 652 HD2 PHE 119 HD1 PHE 119 22.270 33.506 10.857 653 HE1 PHE 119 HE2 PHE 119 20.399 34.550 15.329 654 HE2 PHE 119 HE1 PHE 119 20.408 35.129 11.073 655 HZ PHE 119 HZ PHE 119 19.472 35.651 13.310 656 H GLU 120 H GLU 120 25.669 32.566 10.652 657 HA GLU 120 HA GLU 120 25.384 35.467 10.118 658 HB2 GLU 120 HB2 GLU 120 27.592 33.627 9.160 659 HB3 GLU 120 HB3 GLU 120 27.375 35.306 8.662 660 HG2 GLU 120 HG2 GLU 120 27.570 36.005 11.042 661 HG3 GLU 120 HG3 GLU 120 27.879 34.332 11.487 662 H TYR 121 H TYR 121 24.670 36.024 8.056 663 HA TYR 121 HA TYR 121 24.006 33.849 6.201 664 HB2 TYR 121 HB2 TYR 121 21.716 34.594 5.969 665 HB3 TYR 121 HB3 TYR 121 22.039 34.168 7.640 666 HD1 TYR 121 HD2 TYR 121 22.369 35.984 9.341 667 HD2 TYR 121 HD1 TYR 121 21.074 36.797 5.329 668 HE1 TYR 121 HE2 TYR 121 21.575 38.223 10.052 669 HE2 TYR 121 HE1 TYR 121 20.280 39.037 6.037 670 HH TYR 121 HH TYR 121 19.566 40.093 8.262 671 H SER 122 H SER 122 23.717 34.512 4.044 672 HA SER 122 HA SER 122 25.093 37.024 3.436 673 HB2 SER 122 HB2 SER 122 24.326 34.715 1.638 674 HB3 SER 122 HB3 SER 122 25.298 36.105 1.168 675 HG SER 122 HG SER 122 26.770 35.435 2.743 676 H ALA 123 H ALA 123 21.978 35.450 2.938 677 HA ALA 123 HA ALA 123 20.981 37.145 0.922 678 HB1 ALA 123 HB1 ALA 123 19.273 35.862 3.048 679 HB2 ALA 123 HB2 ALA 123 20.028 34.919 1.763 680 HB3 ALA 123 HB3 ALA 123 18.867 36.185 1.363 681 H LEU 124 H LEU 124 19.633 38.945 0.991 682 HA LEU 124 HA LEU 124 19.372 40.310 3.607 683 HB2 LEU 124 HB2 LEU 124 20.483 41.303 1.017 684 HB3 LEU 124 HB3 LEU 124 19.490 42.420 1.951 685 HG LEU 124 HG LEU 124 20.976 41.724 3.963 686 HD11 LEU 124 HD11 LEU 124 23.361 41.220 2.968 687 HD12 LEU 124 HD12 LEU 124 22.443 40.580 1.604 688 HD13 LEU 124 HD13 LEU 124 22.220 39.898 3.215 689 HD21 LEU 124 HD21 LEU 124 22.781 43.351 3.164 690 HD22 LEU 124 HD22 LEU 124 21.123 43.950 3.091 691 HD23 LEU 124 HD23 LEU 124 21.925 43.393 1.622 692 HA PRO 125 HA PRO 125 15.220 39.713 1.513 693 HB2 PRO 125 HB2 PRO 125 14.390 39.455 4.358 694 HB3 PRO 125 HB3 PRO 125 13.953 38.459 2.957 695 HG2 PRO 125 HG2 PRO 125 15.633 37.576 4.816 696 HG3 PRO 125 HG3 PRO 125 15.851 37.180 3.100 697 HD2 PRO 125 HD2 PRO 125 17.349 39.163 4.774 698 HD3 PRO 125 HD3 PRO 125 17.942 38.108 3.471 699 H LEU 126 H LEU 126 14.587 41.708 0.889 700 HA LEU 126 HA LEU 126 14.406 43.858 2.891 701 HB2 LEU 126 HB2 LEU 126 15.674 44.269 0.779 702 HB3 LEU 126 HB3 LEU 126 14.176 44.033 -0.122 703 HG LEU 126 HG LEU 126 13.154 45.864 1.310 704 HD11 LEU 126 HD11 LEU 126 15.062 47.429 2.198 705 HD12 LEU 126 HD12 LEU 126 16.017 45.947 2.224 706 HD13 LEU 126 HD13 LEU 126 14.542 46.063 3.184 707 HD21 LEU 126 HD21 LEU 126 14.543 47.689 0.100 708 HD22 LEU 126 HD22 LEU 126 13.723 46.490 -0.899 709 HD23 LEU 126 HD23 LEU 126 15.453 46.344 -0.587 710 H LEU 127 H LEU 127 12.499 44.511 3.651 711 HA LEU 127 HA LEU 127 10.054 43.424 2.426 712 HB2 LEU 127 HB2 LEU 127 10.447 44.759 5.116 713 HB3 LEU 127 HB3 LEU 127 8.970 43.987 4.544 714 HG LEU 127 HG LEU 127 11.630 42.572 4.887 715 HD11 LEU 127 HD11 LEU 127 10.468 41.467 6.810 716 HD12 LEU 127 HD12 LEU 127 9.126 42.591 6.601 717 HD13 LEU 127 HD13 LEU 127 10.718 43.195 7.061 718 HD21 LEU 127 HD21 LEU 127 10.448 41.346 3.272 719 HD22 LEU 127 HD22 LEU 127 8.881 41.748 3.975 720 HD23 LEU 127 HD23 LEU 127 9.930 40.576 4.772 721 H GLY 128 H GLY 128 8.431 44.708 1.662 722 HA2 GLY 128 HA2 GLY 128 7.484 47.093 2.003 723 HA3 GLY 128 HA3 GLY 128 9.057 47.575 1.373 724 H SER 129 H SER 129 6.004 47.373 0.466 725 HA SER 129 HA SER 129 6.654 46.589 -2.320 726 HB2 SER 129 HB2 SER 129 4.001 46.308 -0.885 727 HB3 SER 129 HB3 SER 129 4.315 45.896 -2.568 728 HG SER 129 HG SER 129 5.574 44.272 -1.873 729 H ALA 130 H ALA 130 5.795 47.877 -3.965 730 HA ALA 130 HA ALA 130 4.574 50.436 -3.104 731 HB1 ALA 130 HB1 ALA 130 6.905 50.849 -3.648 732 HB2 ALA 130 HB2 ALA 130 5.885 51.533 -4.913 733 HB3 ALA 130 HB3 ALA 130 6.729 50.009 -5.188 734 HA PRO 131 HA PRO 131 1.920 48.283 -6.324 735 HB2 PRO 131 HB2 PRO 131 -0.209 49.525 -4.657 736 HB3 PRO 131 HB3 PRO 131 -0.108 47.884 -5.322 737 HG2 PRO 131 HG2 PRO 131 0.257 48.353 -2.734 738 HG3 PRO 131 HG3 PRO 131 1.191 47.115 -3.595 739 HD2 PRO 131 HD2 PRO 131 2.056 49.847 -2.718 740 HD3 PRO 131 HD3 PRO 131 2.982 48.328 -2.758 741 H LEU 132 H LEU 132 2.140 49.555 -8.094 742 HA LEU 132 HA LEU 132 2.126 52.357 -8.135 743 HB2 LEU 132 HB2 LEU 132 1.431 50.456 -10.387 744 HB3 LEU 132 HB3 LEU 132 1.908 52.144 -10.568 745 HG LEU 132 HG LEU 132 3.630 50.000 -9.290 746 HD11 LEU 132 HD11 LEU 132 3.723 51.272 -12.043 747 HD12 LEU 132 HD12 LEU 132 3.386 49.579 -11.682 748 HD13 LEU 132 HD13 LEU 132 4.990 50.244 -11.373 749 HD21 LEU 132 HD21 LEU 132 5.379 51.869 -9.787 750 HD22 LEU 132 HD22 LEU 132 4.320 52.067 -8.389 751 HD23 LEU 132 HD23 LEU 132 3.977 52.936 -9.885 752 H VAL 133 H VAL 133 -0.498 50.032 -8.645 753 HA VAL 133 HA VAL 133 -2.457 51.865 -9.496 754 HB VAL 133 HB VAL 133 -2.677 49.418 -9.705 755 HG11 VAL 133 HG11 VAL 133 -1.770 49.118 -7.259 756 HG12 VAL 133 HG12 VAL 133 -2.961 47.980 -7.891 757 HG13 VAL 133 HG13 VAL 133 -3.469 49.279 -6.811 758 HG21 VAL 133 HG21 VAL 133 -5.046 49.303 -9.166 759 HG22 VAL 133 HG22 VAL 133 -4.672 50.927 -9.742 760 HG23 VAL 133 HG23 VAL 133 -4.883 50.631 -8.017 761 H ALA 134 H ALA 134 -1.428 50.878 -6.264 762 HA ALA 134 HA ALA 134 -3.525 52.112 -4.821 763 HB1 ALA 134 HB1 ALA 134 -1.983 51.965 -2.890 764 HB2 ALA 134 HB2 ALA 134 -0.674 51.526 -3.986 765 HB3 ALA 134 HB3 ALA 134 -2.058 50.452 -3.792 766 H ALA 135 H ALA 135 -3.622 54.094 -3.753 767 HA ALA 135 HA ALA 135 -1.579 56.105 -4.450 768 HB1 ALA 135 HB1 ALA 135 -3.468 57.741 -4.813 769 HB2 ALA 135 HB2 ALA 135 -4.569 56.362 -4.821 770 HB3 ALA 135 HB3 ALA 135 -3.318 56.500 -6.056 771 H GLY 136 H GLY 136 -1.445 57.863 -2.979 772 HA2 GLY 136 HA2 GLY 136 -3.076 58.274 -0.741 773 HA3 GLY 136 HA3 GLY 136 -1.806 57.150 -0.268 774 H GLY 137 H GLY 137 -1.261 58.962 1.217 775 HA2 GLY 137 HA2 GLY 137 0.468 60.416 1.781 776 HA3 GLY 137 HA3 GLY 137 0.891 60.537 0.077 777 H VAL 138 H VAL 138 -2.304 61.120 1.480 778 HA VAL 138 HA VAL 138 -2.710 63.540 0.101 779 HB VAL 138 HB VAL 138 -4.032 62.573 2.651 780 HG11 VAL 138 HG11 VAL 138 -4.443 64.964 2.184 781 HG12 VAL 138 HG12 VAL 138 -5.905 64.009 1.933 782 HG13 VAL 138 HG13 VAL 138 -4.960 64.554 0.548 783 HG21 VAL 138 HG21 VAL 138 -4.105 60.989 0.690 784 HG22 VAL 138 HG22 VAL 138 -4.923 62.253 -0.229 785 HG23 VAL 138 HG23 VAL 138 -5.690 61.567 1.203 786 H ALA 139 H ALA 139 -1.581 62.878 3.401 787 HA ALA 139 HA ALA 139 -1.438 65.579 4.248 788 HB1 ALA 139 HB1 ALA 139 -0.261 64.769 6.128 789 HB2 ALA 139 HB2 ALA 139 0.377 63.387 5.237 790 HB3 ALA 139 HB3 ALA 139 -1.330 63.441 5.674 791 H GLY 140 H GLY 140 0.297 67.010 4.332 792 HA2 GLY 140 HA2 GLY 140 2.664 66.319 2.690 793 HA3 GLY 140 HA3 GLY 140 1.806 67.838 2.461 794 H HIS 141 H HIS 141 4.546 66.765 3.642 795 HA HIS 141 HA HIS 141 4.549 68.146 6.210 796 HB2 HIS 141 HB2 HIS 141 6.753 66.728 4.719 797 HB3 HIS 141 HB3 HIS 141 6.889 67.389 6.337 798 HD1 HIS 141 HD1 HIS 141 5.055 66.296 8.102 799 HD2 HIS 141 HD2 HIS 141 5.946 64.100 4.672 800 HE1 HIS 141 HE1 HIS 141 4.326 63.917 8.567 801 H THR 142 H THR 142 5.226 68.978 2.939 802 HA THR 142 HA THR 142 7.382 70.725 3.157 803 HB THR 142 HB THR 142 4.946 71.102 1.403 804 HG1 THR 142 HG1 THR 142 5.660 69.211 0.812 805 HG21 THR 142 HG21 THR 142 6.571 73.004 1.539 806 HG22 THR 142 HG22 THR 142 6.479 72.278 -0.067 807 HG23 THR 142 HG23 THR 142 7.839 71.905 0.993 808 H ASN 143 H ASN 143 3.951 71.284 3.848 809 HA ASN 143 HA ASN 143 4.496 74.063 4.565 810 HB2 ASN 143 HB2 ASN 143 2.085 74.264 4.838 811 HB3 ASN 143 HB3 ASN 143 2.455 73.513 3.289 812 HD21 ASN 143 HD21 ASN 143 -0.093 73.163 4.555 813 HD22 ASN 143 HD22 ASN 143 -0.239 71.535 5.014 814 H GLY 144 H GLY 144 3.751 74.911 6.650 815 HA2 GLY 144 HA2 GLY 144 3.237 73.175 8.857 816 HA3 GLY 144 HA3 GLY 144 4.922 73.686 8.837 817 H SER 145 H SER 145 2.028 74.392 10.162 818 HA SER 145 HA SER 145 1.779 77.188 9.942 819 HB2 SER 145 HB2 SER 145 0.383 77.050 11.914 820 HB3 SER 145 HB3 SER 145 0.055 75.655 10.892 821 HG SER 145 HG SER 145 1.282 75.798 13.326 822 H GLY 146 H GLY 146 3.723 75.175 12.107 823 HA2 GLY 146 HA2 GLY 146 5.580 75.706 13.365 824 HA3 GLY 146 HA3 GLY 146 5.598 77.274 12.568 825 H SER 147 H SER 147 2.857 76.018 14.404 826 HA SER 147 HA SER 147 2.562 78.363 15.937 827 HB2 SER 147 HB2 SER 147 0.896 77.132 17.188 828 HB3 SER 147 HB3 SER 147 0.760 76.704 15.486 829 HG SER 147 HG SER 147 1.331 75.154 17.559 830 H GLU 148 H GLU 148 4.376 75.406 16.547 831 HA GLU 148 HA GLU 148 4.745 75.675 19.319 832 HB2 GLU 148 HB2 GLU 148 6.562 74.458 17.229 833 HB3 GLU 148 HB3 GLU 148 6.749 74.248 18.971 834 HG2 GLU 148 HG2 GLU 148 4.450 73.299 19.073 835 HG3 GLU 148 HG3 GLU 148 4.336 73.438 17.324 836 H ASN 149 H ASN 149 6.429 77.182 16.606 837 HA ASN 149 HA ASN 149 8.391 78.387 18.419 838 HB2 ASN 149 HB2 ASN 149 9.023 77.402 16.167 839 HB3 ASN 149 HB3 ASN 149 8.174 78.759 15.430 840 HD21 ASN 149 HD21 ASN 149 10.265 79.550 14.563 841 HD22 ASN 149 HD22 ASN 149 11.368 80.334 15.586 842 H LEU 150 H LEU 150 7.898 80.235 19.385 843 HA LEU 150 HA LEU 150 5.847 81.989 18.277 844 HB2 LEU 150 HB2 LEU 150 7.415 82.216 20.851 845 HB3 LEU 150 HB3 LEU 150 6.018 83.190 20.398 846 HG LEU 150 HG LEU 150 5.989 80.172 20.705 847 HD11 LEU 150 HD11 LEU 150 4.941 82.367 22.520 848 HD12 LEU 150 HD12 LEU 150 6.306 81.304 22.866 849 HD13 LEU 150 HD13 LEU 150 4.676 80.640 22.754 850 HD21 LEU 150 HD21 LEU 150 3.903 82.258 20.051 851 HD22 LEU 150 HD22 LEU 150 3.456 80.700 20.746 852 HD23 LEU 150 HD23 LEU 150 4.269 80.767 19.183 853 H TYR 151 H TYR 151 9.018 81.743 17.540 854 HA TYR 151 HA TYR 151 10.148 84.261 17.940 855 HB2 TYR 151 HB2 TYR 151 11.359 82.288 17.082 856 HB3 TYR 151 HB3 TYR 151 10.498 82.434 15.562 857 HD1 TYR 151 HD1 TYR 151 13.022 83.991 17.772 858 HD2 TYR 151 HD2 TYR 151 11.127 84.081 13.919 859 HE1 TYR 151 HE1 TYR 151 14.769 85.547 16.949 860 HE2 TYR 151 HE2 TYR 151 12.874 85.637 13.096 861 HH TYR 151 HH TYR 151 15.158 87.083 15.198 862 H PHE 152 H PHE 152 7.904 83.150 15.443 863 HA PHE 152 HA PHE 152 7.817 85.906 14.352 864 HB2 PHE 152 HB2 PHE 152 7.116 84.934 12.250 865 HB3 PHE 152 HB3 PHE 152 8.636 84.225 12.760 866 HD1 PHE 152 HD2 PHE 152 8.695 81.894 13.638 867 HD2 PHE 152 HD1 PHE 152 5.111 83.637 12.036 868 HE1 PHE 152 HE2 PHE 152 7.691 79.635 13.425 869 HE2 PHE 152 HE1 PHE 152 4.107 81.379 11.822 870 HZ PHE 152 HZ PHE 152 5.398 79.379 12.517 871 H GLN 153 H GLN 153 5.751 86.688 13.652 872 HA GLN 153 HA GLN 153 3.623 85.906 15.467 873 HB2 GLN 153 HB2 GLN 153 3.806 88.091 13.380 874 HB3 GLN 153 HB3 GLN 153 2.433 87.856 14.464 875 HG2 GLN 153 HG2 GLN 153 3.874 88.177 16.412 876 HG3 GLN 153 HG3 GLN 153 5.288 88.321 15.373 877 HE21 GLN 153 HE21 GLN 153 4.519 90.425 17.161 878 HE22 GLN 153 HE22 GLN 153 4.025 91.757 16.232 Start of MODEL 13 1 H1 MET 39 HT1 MET 39 30.838 2.421 50.483 2 H2 MET 39 HT2 MET 39 31.017 3.509 51.777 3 H3 MET 39 HT3 MET 39 31.821 3.793 50.307 4 HA MET 39 HA MET 39 29.277 3.640 49.477 5 HB2 MET 39 HB2 MET 39 29.328 4.959 52.209 6 HB3 MET 39 HB3 MET 39 27.982 5.045 51.070 7 HG2 MET 39 HG2 MET 39 27.886 2.531 51.103 8 HG3 MET 39 HG3 MET 39 29.089 2.553 52.393 9 HE1 MET 39 HE1 MET 39 24.736 3.908 52.458 10 HE2 MET 39 HE2 MET 39 25.700 3.301 51.113 11 HE3 MET 39 HE3 MET 39 25.915 4.960 51.666 12 H ASN 40 H ASN 40 28.922 5.414 48.197 13 HA ASN 40 HA ASN 40 30.986 7.510 48.284 14 HB2 ASN 40 HB2 ASN 40 30.541 6.170 46.173 15 HB3 ASN 40 HB3 ASN 40 28.985 6.992 46.082 16 HD21 ASN 40 HD21 ASN 40 29.721 8.054 44.059 17 HD22 ASN 40 HD22 ASN 40 30.802 9.361 44.131 18 H GLY 41 H GLY 41 30.487 9.427 49.125 19 HA2 GLY 41 HA2 GLY 41 27.694 10.087 49.663 20 HA3 GLY 41 HA3 GLY 41 29.106 10.940 50.278 21 H GLU 42 H GLU 42 30.337 12.262 48.709 22 HA GLU 42 HA GLU 42 28.617 14.005 47.283 23 HB2 GLU 42 HB2 GLU 42 31.628 13.706 47.170 24 HB3 GLU 42 HB3 GLU 42 30.718 15.054 46.486 25 HG2 GLU 42 HG2 GLU 42 29.790 15.536 48.744 26 HG3 GLU 42 HG3 GLU 42 30.783 14.245 49.406 27 H ASN 43 H ASN 43 28.047 14.108 45.178 28 HA ASN 43 HA ASN 43 28.848 11.873 43.455 29 HB2 ASN 43 HB2 ASN 43 26.648 13.922 43.168 30 HB3 ASN 43 HB3 ASN 43 26.963 12.616 42.028 31 HD21 ASN 43 HD21 ASN 43 24.496 12.902 43.573 32 HD22 ASN 43 HD22 ASN 43 24.388 11.547 44.590 33 H TYR 44 H TYR 44 30.297 14.691 43.983 34 HA TYR 44 HA TYR 44 30.332 16.095 41.560 35 HB2 TYR 44 HB2 TYR 44 31.286 16.921 43.683 36 HB3 TYR 44 HB3 TYR 44 32.578 15.745 43.546 37 HD1 TYR 44 HD1 TYR 44 31.118 18.821 42.097 38 HD2 TYR 44 HD2 TYR 44 34.447 16.107 42.071 39 HE1 TYR 44 HE1 TYR 44 32.430 20.443 40.758 40 HE2 TYR 44 HE2 TYR 44 35.760 17.729 40.732 41 HH TYR 44 HH TYR 44 35.281 19.651 39.224 42 H PHE 45 H PHE 45 32.237 13.312 42.634 43 HA PHE 45 HA PHE 45 34.144 13.280 40.587 44 HB2 PHE 45 HB2 PHE 45 32.904 11.000 42.125 45 HB3 PHE 45 HB3 PHE 45 34.298 10.833 41.075 46 HD1 PHE 45 HD2 PHE 45 36.453 11.930 41.674 47 HD2 PHE 45 HD1 PHE 45 33.065 11.961 44.316 48 HE1 PHE 45 HE2 PHE 45 37.929 12.573 43.560 49 HE2 PHE 45 HE1 PHE 45 34.542 12.603 46.202 50 HZ PHE 45 HZ PHE 45 36.974 12.910 45.824 51 H LYS 46 H LYS 46 30.875 11.919 40.697 52 HA LYS 46 HA LYS 46 31.175 10.982 37.919 53 HB2 LYS 46 HB2 LYS 46 30.301 9.406 39.652 54 HB3 LYS 46 HB3 LYS 46 28.910 10.471 39.859 55 HG2 LYS 46 HG2 LYS 46 28.388 10.219 37.440 56 HG3 LYS 46 HG3 LYS 46 29.728 9.081 37.292 57 HD2 LYS 46 HD2 LYS 46 28.642 7.664 39.054 58 HD3 LYS 46 HD3 LYS 46 27.254 8.752 39.012 59 HE2 LYS 46 HE2 LYS 46 26.594 7.097 37.504 60 HE3 LYS 46 HE3 LYS 46 27.320 8.291 36.427 61 HZ1 LYS 46 HZ1 LYS 46 29.368 7.057 36.444 62 HZ2 LYS 46 HZ2 LYS 46 28.100 6.022 35.992 63 HZ3 LYS 46 HZ3 LYS 46 28.744 5.945 37.562 64 H LEU 47 H LEU 47 30.269 12.054 36.277 65 HA LEU 47 HA LEU 47 28.450 14.286 36.889 66 HB2 LEU 47 HB2 LEU 47 30.003 13.586 34.385 67 HB3 LEU 47 HB3 LEU 47 28.909 14.963 34.531 68 HG LEU 47 HG LEU 47 30.358 15.516 36.662 69 HD11 LEU 47 HD11 LEU 47 32.809 14.869 35.977 70 HD12 LEU 47 HD12 LEU 47 32.021 13.556 35.101 71 HD13 LEU 47 HD13 LEU 47 31.818 13.698 36.847 72 HD21 LEU 47 HD21 LEU 47 31.547 15.917 33.901 73 HD22 LEU 47 HD22 LEU 47 31.734 16.967 35.306 74 HD23 LEU 47 HD23 LEU 47 30.167 16.832 34.508 75 H GLY 48 H GLY 48 26.341 14.139 36.482 76 HA2 GLY 48 HA2 GLY 48 25.122 11.745 35.617 77 HA3 GLY 48 HA3 GLY 48 24.313 13.297 35.798 78 H SER 49 H SER 49 25.954 14.728 33.898 79 HA SER 49 HA SER 49 24.994 13.478 31.382 80 HB2 SER 49 HB2 SER 49 25.077 16.422 32.075 81 HB3 SER 49 HB3 SER 49 24.526 15.727 30.556 82 HG SER 49 HG SER 49 22.848 14.849 31.642 83 H ASP 50 H ASP 50 26.342 13.395 29.700 84 HA ASP 50 HA ASP 50 29.124 13.882 30.016 85 HB2 ASP 50 HB2 ASP 50 27.479 13.352 27.534 86 HB3 ASP 50 HB3 ASP 50 29.240 13.348 27.592 87 H SER 51 H SER 51 26.492 15.766 28.625 88 HA SER 51 HA SER 51 27.960 17.544 27.044 89 HB2 SER 51 HB2 SER 51 26.030 19.000 27.167 90 HB3 SER 51 HB3 SER 51 25.480 17.331 27.060 91 HG SER 51 HG SER 51 25.081 17.409 29.225 92 H LYS 52 H LYS 52 27.381 17.557 30.531 93 HA LYS 52 HA LYS 52 28.175 20.179 31.107 94 HB2 LYS 52 HB2 LYS 52 28.500 17.656 32.743 95 HB3 LYS 52 HB3 LYS 52 28.772 19.285 33.362 96 HG2 LYS 52 HG2 LYS 52 26.436 19.880 32.716 97 HG3 LYS 52 HG3 LYS 52 26.175 18.204 32.232 98 HD2 LYS 52 HD2 LYS 52 26.773 17.482 34.546 99 HD3 LYS 52 HD3 LYS 52 26.897 19.179 35.011 100 HE2 LYS 52 HE2 LYS 52 24.705 18.758 35.622 101 HE3 LYS 52 HE3 LYS 52 24.455 19.292 33.961 102 HZ1 LYS 52 HZ1 LYS 52 23.714 17.294 33.396 103 HZ2 LYS 52 HZ2 LYS 52 23.708 16.884 35.045 104 HZ3 LYS 52 HZ3 LYS 52 25.057 16.515 34.080 105 H LEU 53 H LEU 53 30.113 17.293 30.492 106 HA LEU 53 HA LEU 53 32.599 18.152 31.402 107 HB2 LEU 53 HB2 LEU 53 32.078 15.867 30.554 108 HB3 LEU 53 HB3 LEU 53 32.073 16.513 28.914 109 HG LEU 53 HG LEU 53 34.426 17.361 29.354 110 HD11 LEU 53 HD11 LEU 53 35.588 16.044 31.221 111 HD12 LEU 53 HD12 LEU 53 33.973 15.692 31.834 112 HD13 LEU 53 HD13 LEU 53 34.534 17.361 31.735 113 HD21 LEU 53 HD21 LEU 53 34.086 15.359 28.024 114 HD22 LEU 53 HD22 LEU 53 33.848 14.386 29.476 115 HD23 LEU 53 HD23 LEU 53 35.436 15.067 29.122 116 H LEU 54 H LEU 54 30.942 18.884 28.356 117 HA LEU 54 HA LEU 54 33.226 20.466 27.436 118 HB2 LEU 54 HB2 LEU 54 30.547 19.967 26.116 119 HB3 LEU 54 HB3 LEU 54 31.946 20.737 25.370 120 HG LEU 54 HG LEU 54 31.905 17.901 26.444 121 HD11 LEU 54 HD11 LEU 54 31.930 17.235 24.077 122 HD12 LEU 54 HD12 LEU 54 31.856 18.928 23.589 123 HD13 LEU 54 HD13 LEU 54 30.491 18.191 24.429 124 HD21 LEU 54 HD21 LEU 54 34.053 17.798 25.071 125 HD22 LEU 54 HD22 LEU 54 34.141 18.775 26.537 126 HD23 LEU 54 HD23 LEU 54 33.967 19.556 24.965 127 H THR 55 H THR 55 33.386 22.582 27.734 128 HA THR 55 HA THR 55 31.499 24.033 29.279 129 HB THR 55 HB THR 55 33.746 25.131 27.575 130 HG1 THR 55 HG1 THR 55 34.711 23.824 28.946 131 HG21 THR 55 HG21 THR 55 32.420 26.197 30.084 132 HG22 THR 55 HG22 THR 55 32.091 26.780 28.453 133 HG23 THR 55 HG23 THR 55 33.695 26.986 29.157 134 H HIS 56 H HIS 56 32.100 23.813 25.806 135 HA HIS 56 HA HIS 56 30.035 25.877 25.326 136 HB2 HIS 56 HB2 HIS 56 32.271 26.335 24.402 137 HB3 HIS 56 HB3 HIS 56 32.195 24.839 23.493 138 HD1 HIS 56 HD1 HIS 56 30.096 28.014 23.835 139 HD2 HIS 56 HD2 HIS 56 31.272 25.261 20.936 140 HE1 HIS 56 HE1 HIS 56 29.145 28.838 21.639 141 H ASN 57 H ASN 57 28.221 25.407 24.250 142 HA ASN 57 HA ASN 57 27.866 22.651 23.254 143 HB2 ASN 57 HB2 ASN 57 25.834 24.761 24.019 144 HB3 ASN 57 HB3 ASN 57 25.438 23.166 23.382 145 HD21 ASN 57 HD21 ASN 57 24.671 24.127 26.038 146 HD22 ASN 57 HD22 ASN 57 25.440 23.121 27.168 147 H SER 58 H SER 58 27.766 22.312 21.133 148 HA SER 58 HA SER 58 28.256 24.332 19.247 149 HB2 SER 58 HB2 SER 58 28.751 21.911 18.921 150 HB3 SER 58 HB3 SER 58 27.024 21.618 18.739 151 HG SER 58 HG SER 58 27.959 21.977 16.747 152 H TYR 59 H TYR 59 25.222 22.921 20.381 153 HA TYR 59 HA TYR 59 23.734 24.463 18.361 154 HB2 TYR 59 HB2 TYR 59 23.234 22.055 18.640 155 HB3 TYR 59 HB3 TYR 59 22.775 22.361 20.304 156 HD1 TYR 59 HD1 TYR 59 21.896 23.019 16.760 157 HD2 TYR 59 HD2 TYR 59 20.616 23.235 20.856 158 HE1 TYR 59 HE1 TYR 59 19.585 23.518 16.013 159 HE2 TYR 59 HE2 TYR 59 18.306 23.735 20.108 160 HH TYR 59 HH TYR 59 17.103 24.409 18.244 161 H GLN 60 H GLN 60 23.354 26.487 18.994 162 HA GLN 60 HA GLN 60 21.937 26.891 21.534 163 HB2 GLN 60 HB2 GLN 60 24.394 28.429 20.686 164 HB3 GLN 60 HB3 GLN 60 23.313 28.928 21.986 165 HG2 GLN 60 HG2 GLN 60 23.753 26.843 23.191 166 HG3 GLN 60 HG3 GLN 60 24.776 26.275 21.873 167 HE21 GLN 60 HE21 GLN 60 25.744 26.622 24.579 168 HE22 GLN 60 HE22 GLN 60 26.906 27.859 24.553 169 H ASN 61 H ASN 61 22.321 27.704 18.210 170 HA ASN 61 HA ASN 61 21.544 30.365 18.099 171 HB2 ASN 61 HB2 ASN 61 20.940 28.117 16.169 172 HB3 ASN 61 HB3 ASN 61 20.726 29.828 15.809 173 HD21 ASN 61 HD21 ASN 61 22.583 28.082 14.392 174 HD22 ASN 61 HD22 ASN 61 24.148 28.669 14.692 175 H ARG 62 H ARG 62 19.513 27.466 18.360 176 HA ARG 62 HA ARG 62 17.274 29.185 19.147 177 HB2 ARG 62 HB2 ARG 62 17.042 28.870 16.710 178 HB3 ARG 62 HB3 ARG 62 17.063 27.123 16.939 179 HG2 ARG 62 HG2 ARG 62 15.017 27.246 18.275 180 HG3 ARG 62 HG3 ARG 62 15.015 29.008 18.143 181 HD2 ARG 62 HD2 ARG 62 13.488 28.131 16.477 182 HD3 ARG 62 HD3 ARG 62 14.908 28.762 15.649 183 HE ARG 62 HE ARG 62 14.986 25.924 16.292 184 HH11 ARG 62 HH11 ARG 62 14.233 28.331 13.850 185 HH12 ARG 62 HH12 ARG 62 14.359 27.194 12.549 186 HH21 ARG 62 HH21 ARG 62 15.136 24.508 14.575 187 HH22 ARG 62 HH22 ARG 62 14.864 25.058 12.956 188 H LEU 63 H LEU 63 16.493 28.409 20.984 189 HA LEU 63 HA LEU 63 16.592 25.494 21.485 190 HB2 LEU 63 HB2 LEU 63 16.197 27.761 23.455 191 HB3 LEU 63 HB3 LEU 63 16.359 26.051 23.850 192 HG LEU 63 HG LEU 63 18.479 27.705 22.447 193 HD11 LEU 63 HD11 LEU 63 18.075 26.882 25.323 194 HD12 LEU 63 HD12 LEU 63 18.427 28.487 24.683 195 HD13 LEU 63 HD13 LEU 63 19.680 27.246 24.689 196 HD21 LEU 63 HD21 LEU 63 18.366 24.851 23.455 197 HD22 LEU 63 HD22 LEU 63 19.885 25.673 23.098 198 HD23 LEU 63 HD23 LEU 63 18.706 25.403 21.814 199 H PHE 64 H PHE 64 14.735 24.366 21.683 200 HA PHE 64 HA PHE 64 12.212 25.820 21.318 201 HB2 PHE 64 HB2 PHE 64 12.920 22.896 21.108 202 HB3 PHE 64 HB3 PHE 64 11.287 23.514 20.954 203 HD1 PHE 64 HD2 PHE 64 10.673 24.957 19.023 204 HD2 PHE 64 HD1 PHE 64 14.533 23.098 19.343 205 HE1 PHE 64 HE2 PHE 64 11.070 25.363 16.609 206 HE2 PHE 64 HE1 PHE 64 14.930 23.504 16.929 207 HZ PHE 64 HZ PHE 64 13.197 24.636 15.562 208 H TYR 65 H TYR 65 10.782 26.096 22.929 209 HA TYR 65 HA TYR 65 10.876 24.222 25.230 210 HB2 TYR 65 HB2 TYR 65 11.602 26.609 25.716 211 HB3 TYR 65 HB3 TYR 65 9.960 27.094 25.341 212 HD1 TYR 65 HD2 TYR 65 12.103 25.205 27.678 213 HD2 TYR 65 HD1 TYR 65 8.143 26.668 26.888 214 HE1 TYR 65 HE2 TYR 65 11.445 24.678 30.009 215 HE2 TYR 65 HE1 TYR 65 7.483 26.140 29.220 216 HH TYR 65 HH TYR 65 8.175 25.224 31.151 217 H THR 66 H THR 66 8.886 23.435 25.948 218 HA THR 66 HA THR 66 6.625 23.958 24.099 219 HB THR 66 HB THR 66 7.169 21.450 25.702 220 HG1 THR 66 HG1 THR 66 8.048 20.711 23.890 221 HG21 THR 66 HG21 THR 66 5.292 21.974 23.382 222 HG22 THR 66 HG22 THR 66 4.792 21.951 25.072 223 HG23 THR 66 HG23 THR 66 5.424 20.486 24.320 224 H LEU 67 H LEU 67 4.626 24.352 24.892 225 HA LEU 67 HA LEU 67 4.404 25.096 27.693 226 HB2 LEU 67 HB2 LEU 67 2.494 25.268 25.351 227 HB3 LEU 67 HB3 LEU 67 2.115 25.854 26.967 228 HG LEU 67 HG LEU 67 4.517 26.773 25.362 229 HD11 LEU 67 HD11 LEU 67 3.022 28.930 25.313 230 HD12 LEU 67 HD12 LEU 67 1.695 27.794 25.551 231 HD13 LEU 67 HD13 LEU 67 2.733 27.653 24.132 232 HD21 LEU 67 HD21 LEU 67 4.163 28.716 27.107 233 HD22 LEU 67 HD22 LEU 67 4.987 27.240 27.607 234 HD23 LEU 67 HD23 LEU 67 3.288 27.483 28.015 235 H LYS 68 H LYS 68 3.606 23.827 29.232 236 HA LYS 68 HA LYS 68 1.935 21.503 28.454 237 HB2 LYS 68 HB2 LYS 68 3.961 21.730 30.692 238 HB3 LYS 68 HB3 LYS 68 2.890 20.352 30.436 239 HG2 LYS 68 HG2 LYS 68 3.856 20.072 28.153 240 HG3 LYS 68 HG3 LYS 68 4.993 21.375 28.507 241 HD2 LYS 68 HD2 LYS 68 5.815 20.068 30.472 242 HD3 LYS 68 HD3 LYS 68 4.760 18.739 29.987 243 HE2 LYS 68 HE2 LYS 68 5.953 18.380 27.968 244 HE3 LYS 68 HE3 LYS 68 6.779 19.933 28.086 245 HZ1 LYS 68 HZ1 LYS 68 8.222 18.097 28.724 246 HZ2 LYS 68 HZ2 LYS 68 7.135 17.647 29.950 247 HZ3 LYS 68 HZ3 LYS 68 7.946 19.137 30.036 248 H THR 69 H THR 69 0.252 20.918 29.890 249 HA THR 69 HA THR 69 -1.267 23.020 30.900 250 HB THR 69 HB THR 69 -2.235 20.843 30.370 251 HG1 THR 69 HG1 THR 69 -3.503 20.748 32.191 252 HG21 THR 69 HG21 THR 69 -1.829 18.891 31.720 253 HG22 THR 69 HG22 THR 69 -0.867 19.821 32.869 254 HG23 THR 69 HG23 THR 69 -0.258 19.533 31.239 255 H GLY 70 H GLY 70 -1.408 24.072 32.793 256 HA2 GLY 70 HA2 GLY 70 -1.211 24.193 35.187 257 HA3 GLY 70 HA3 GLY 70 0.149 23.084 35.097 258 H GLU 71 H GLU 71 1.218 24.721 32.724 259 HA GLU 71 HA GLU 71 2.475 26.822 34.376 260 HB2 GLU 71 HB2 GLU 71 3.944 25.060 33.364 261 HB3 GLU 71 HB3 GLU 71 3.458 25.641 31.770 262 HG2 GLU 71 HG2 GLU 71 4.279 27.911 32.385 263 HG3 GLU 71 HG3 GLU 71 4.843 27.266 33.920 264 H THR 72 H THR 72 2.589 28.926 33.654 265 HA THR 72 HA THR 72 0.935 29.592 31.286 266 HB THR 72 HB THR 72 0.457 31.724 32.359 267 HG1 THR 72 HG1 THR 72 1.990 32.256 33.670 268 HG21 THR 72 HG21 THR 72 -0.985 30.945 34.097 269 HG22 THR 72 HG22 THR 72 0.049 29.552 34.422 270 HG23 THR 72 HG23 THR 72 -0.881 29.631 32.925 271 H VAL 73 H VAL 73 1.600 31.565 30.127 272 HA VAL 73 HA VAL 73 4.266 31.402 29.275 273 HB VAL 73 HB VAL 73 2.365 33.748 29.014 274 HG11 VAL 73 HG11 VAL 73 3.716 34.239 26.977 275 HG12 VAL 73 HG12 VAL 73 4.826 32.946 27.431 276 HG13 VAL 73 HG13 VAL 73 4.664 34.370 28.459 277 HG21 VAL 73 HG21 VAL 73 2.855 31.356 27.213 278 HG22 VAL 73 HG22 VAL 73 1.812 32.725 26.827 279 HG23 VAL 73 HG23 VAL 73 1.398 31.649 28.162 280 H ALA 74 H ALA 74 2.704 33.645 31.550 281 HA ALA 74 HA ALA 74 4.933 35.319 31.965 282 HB1 ALA 74 HB1 ALA 74 2.385 35.458 32.750 283 HB2 ALA 74 HB2 ALA 74 3.668 36.334 33.584 284 HB3 ALA 74 HB3 ALA 74 3.075 34.807 34.237 285 H ASP 75 H ASP 75 3.941 32.298 33.541 286 HA ASP 75 HA ASP 75 5.773 32.379 35.682 287 HB2 ASP 75 HB2 ASP 75 4.557 30.018 34.232 288 HB3 ASP 75 HB3 ASP 75 5.461 29.901 35.738 289 H LEU 76 H LEU 76 6.035 30.963 32.431 290 HA LEU 76 HA LEU 76 8.592 29.837 32.727 291 HB2 LEU 76 HB2 LEU 76 7.062 29.377 30.823 292 HB3 LEU 76 HB3 LEU 76 7.372 31.001 30.210 293 HG LEU 76 HG LEU 76 9.834 30.415 30.171 294 HD11 LEU 76 HD11 LEU 76 8.669 27.697 30.818 295 HD12 LEU 76 HD12 LEU 76 9.920 28.571 31.702 296 HD13 LEU 76 HD13 LEU 76 10.269 27.906 30.107 297 HD21 LEU 76 HD21 LEU 76 8.014 28.653 28.501 298 HD22 LEU 76 HD22 LEU 76 9.662 29.130 28.092 299 HD23 LEU 76 HD23 LEU 76 8.382 30.341 28.149 300 H SER 77 H SER 77 7.585 33.071 31.681 301 HA SER 77 HA SER 77 10.108 34.053 30.939 302 HB2 SER 77 HB2 SER 77 7.891 35.156 30.500 303 HB3 SER 77 HB3 SER 77 7.864 35.647 32.190 304 HG SER 77 HG SER 77 9.089 37.200 31.537 305 H LYS 78 H LYS 78 8.486 34.008 34.087 306 HA LYS 78 HA LYS 78 10.356 35.593 35.479 307 HB2 LYS 78 HB2 LYS 78 8.087 34.991 36.314 308 HB3 LYS 78 HB3 LYS 78 8.662 33.346 36.591 309 HG2 LYS 78 HG2 LYS 78 10.427 34.246 38.098 310 HG3 LYS 78 HG3 LYS 78 9.761 35.864 37.876 311 HD2 LYS 78 HD2 LYS 78 7.565 35.017 38.740 312 HD3 LYS 78 HD3 LYS 78 8.348 33.477 39.099 313 HE2 LYS 78 HE2 LYS 78 9.206 36.163 40.215 314 HE3 LYS 78 HE3 LYS 78 8.265 34.956 41.091 315 HZ1 LYS 78 HZ1 LYS 78 10.604 34.774 41.624 316 HZ2 LYS 78 HZ2 LYS 78 10.994 34.572 39.982 317 HZ3 LYS 78 HZ3 LYS 78 10.087 33.387 40.794 318 H SER 79 H SER 79 10.127 32.065 35.090 319 HA SER 79 HA SER 79 12.295 31.381 36.742 320 HB2 SER 79 HB2 SER 79 10.597 29.780 35.838 321 HB3 SER 79 HB3 SER 79 11.374 29.912 34.264 322 HG SER 79 HG SER 79 13.263 29.185 35.329 323 H GLN 80 H GLN 80 12.157 32.085 33.276 324 HA GLN 80 HA GLN 80 14.958 31.662 32.844 325 HB2 GLN 80 HB2 GLN 80 12.850 33.023 31.162 326 HB3 GLN 80 HB3 GLN 80 14.496 32.687 30.623 327 HG2 GLN 80 HG2 GLN 80 14.159 30.292 30.969 328 HG3 GLN 80 HG3 GLN 80 12.543 30.589 31.605 329 HE21 GLN 80 HE21 GLN 80 12.967 28.922 29.316 330 HE22 GLN 80 HE22 GLN 80 12.294 29.694 27.963 331 H ASP 81 H ASP 81 13.225 34.310 34.179 332 HA ASP 81 HA ASP 81 13.839 36.442 34.751 333 HB2 ASP 81 HB2 ASP 81 15.888 35.175 35.558 334 HB3 ASP 81 HB3 ASP 81 16.667 35.647 34.050 335 H ILE 82 H ILE 82 12.879 36.031 32.188 336 HA ILE 82 HA ILE 82 14.444 37.960 30.570 337 HB ILE 82 HB ILE 82 12.478 35.863 29.604 338 HG12 ILE 82 HG12 ILE 82 15.497 35.950 29.325 339 HG13 ILE 82 HG13 ILE 82 14.645 34.950 30.501 340 HG21 ILE 82 HG21 ILE 82 12.637 37.921 28.205 341 HG22 ILE 82 HG22 ILE 82 13.266 36.497 27.377 342 HG23 ILE 82 HG23 ILE 82 14.378 37.671 28.079 343 HD11 ILE 82 HD11 ILE 82 14.489 34.778 27.484 344 HD12 ILE 82 HD12 ILE 82 13.358 33.949 28.553 345 HD13 ILE 82 HD13 ILE 82 15.075 33.547 28.603 346 H ASN 83 H ASN 83 13.348 39.694 29.650 347 HA ASN 83 HA ASN 83 11.007 40.570 31.062 348 HB2 ASN 83 HB2 ASN 83 12.375 41.760 28.638 349 HB3 ASN 83 HB3 ASN 83 11.171 42.566 29.643 350 HD21 ASN 83 HD21 ASN 83 12.029 41.845 32.227 351 HD22 ASN 83 HD22 ASN 83 13.576 42.488 32.503 352 H LEU 84 H LEU 84 8.910 40.539 30.443 353 HA LEU 84 HA LEU 84 7.998 38.726 28.518 354 HB2 LEU 84 HB2 LEU 84 6.561 41.139 29.653 355 HB3 LEU 84 HB3 LEU 84 5.793 39.793 28.811 356 HG LEU 84 HG LEU 84 7.435 39.508 31.346 357 HD11 LEU 84 HD11 LEU 84 5.031 38.903 32.212 358 HD12 LEU 84 HD12 LEU 84 4.492 39.868 30.838 359 HD13 LEU 84 HD13 LEU 84 5.499 40.599 32.086 360 HD21 LEU 84 HD21 LEU 84 6.231 37.255 31.346 361 HD22 LEU 84 HD22 LEU 84 7.464 37.457 30.102 362 HD23 LEU 84 HD23 LEU 84 5.758 37.610 29.685 363 H SER 85 H SER 85 8.630 42.201 28.262 364 HA SER 85 HA SER 85 7.431 42.647 25.758 365 HB2 SER 85 HB2 SER 85 8.290 44.427 27.302 366 HB3 SER 85 HB3 SER 85 9.926 43.978 26.833 367 HG SER 85 HG SER 85 8.011 45.311 25.438 368 H THR 86 H THR 86 10.705 41.573 26.622 369 HA THR 86 HA THR 86 11.784 41.591 24.015 370 HB THR 86 HB THR 86 12.518 39.738 26.294 371 HG1 THR 86 HG1 THR 86 12.529 42.035 26.704 372 HG21 THR 86 HG21 THR 86 14.679 39.627 25.212 373 HG22 THR 86 HG22 THR 86 14.191 40.827 24.015 374 HG23 THR 86 HG23 THR 86 13.450 39.226 24.013 375 H ILE 87 H ILE 87 10.133 39.039 25.852 376 HA ILE 87 HA ILE 87 10.510 36.937 24.034 377 HB ILE 87 HB ILE 87 8.136 37.413 25.861 378 HG12 ILE 87 HG12 ILE 87 10.684 35.843 26.357 379 HG13 ILE 87 HG13 ILE 87 10.394 37.470 26.974 380 HG21 ILE 87 HG21 ILE 87 7.877 34.976 25.769 381 HG22 ILE 87 HG22 ILE 87 9.265 34.851 24.689 382 HG23 ILE 87 HG23 ILE 87 7.790 35.647 24.141 383 HD11 ILE 87 HD11 ILE 87 8.802 34.971 27.607 384 HD12 ILE 87 HD12 ILE 87 8.309 36.596 28.086 385 HD13 ILE 87 HD13 ILE 87 9.803 35.904 28.720 386 H TRP 88 H TRP 88 7.885 39.315 24.289 387 HA TRP 88 HA TRP 88 6.308 38.374 22.172 388 HB2 TRP 88 HB2 TRP 88 5.562 40.064 23.794 389 HB3 TRP 88 HB3 TRP 88 6.686 41.220 23.106 390 HD1 TRP 88 HD1 TRP 88 3.605 39.142 22.065 391 HE1 TRP 88 HE1 TRP 88 2.308 40.471 20.278 392 HE3 TRP 88 HE3 TRP 88 6.747 43.123 21.473 393 HZ2 TRP 88 HZ2 TRP 88 2.568 42.905 18.791 394 HZ3 TRP 88 HZ3 TRP 88 6.201 44.928 19.869 395 HH2 TRP 88 HH2 TRP 88 4.119 44.827 18.528 396 H SER 89 H SER 89 8.939 40.789 22.135 397 HA SER 89 HA SER 89 8.660 41.646 19.511 398 HB2 SER 89 HB2 SER 89 10.942 42.418 19.655 399 HB3 SER 89 HB3 SER 89 10.182 42.637 21.228 400 HG SER 89 HG SER 89 12.321 41.304 20.715 401 H LEU 90 H LEU 90 10.448 38.828 20.740 402 HA LEU 90 HA LEU 90 11.502 38.104 18.181 403 HB2 LEU 90 HB2 LEU 90 11.117 36.405 20.657 404 HB3 LEU 90 HB3 LEU 90 12.134 36.003 19.274 405 HG LEU 90 HG LEU 90 12.493 38.457 21.020 406 HD11 LEU 90 HD11 LEU 90 12.976 36.106 22.013 407 HD12 LEU 90 HD12 LEU 90 14.245 37.325 22.120 408 HD13 LEU 90 HD13 LEU 90 14.330 36.070 20.884 409 HD21 LEU 90 HD21 LEU 90 13.997 37.292 18.670 410 HD22 LEU 90 HD22 LEU 90 14.773 38.389 19.812 411 HD23 LEU 90 HD23 LEU 90 13.386 38.935 18.868 412 H ASN 91 H ASN 91 8.828 36.745 20.133 413 HA ASN 91 HA ASN 91 8.126 34.953 17.959 414 HB2 ASN 91 HB2 ASN 91 6.947 35.335 20.710 415 HB3 ASN 91 HB3 ASN 91 6.417 34.111 19.557 416 HD21 ASN 91 HD21 ASN 91 9.524 35.278 21.005 417 HD22 ASN 91 HD22 ASN 91 10.189 33.723 21.156 418 H LYS 92 H LYS 92 7.437 38.128 18.294 419 HA LYS 92 HA LYS 92 4.723 38.442 18.066 420 HB2 LYS 92 HB2 LYS 92 5.166 40.510 16.908 421 HB3 LYS 92 HB3 LYS 92 6.396 40.274 18.145 422 HG2 LYS 92 HG2 LYS 92 7.920 39.351 16.386 423 HG3 LYS 92 HG3 LYS 92 6.700 39.746 15.174 424 HD2 LYS 92 HD2 LYS 92 6.785 42.138 16.055 425 HD3 LYS 92 HD3 LYS 92 8.227 41.657 16.953 426 HE2 LYS 92 HE2 LYS 92 9.132 40.797 14.702 427 HE3 LYS 92 HE3 LYS 92 7.829 41.727 13.961 428 HZ1 LYS 92 HZ1 LYS 92 9.622 43.184 14.017 429 HZ2 LYS 92 HZ2 LYS 92 10.102 42.704 15.574 430 HZ3 LYS 92 HZ3 LYS 92 8.701 43.643 15.366 431 H HIS 93 H HIS 93 6.892 37.101 15.651 432 HA HIS 93 HA HIS 93 5.001 37.294 13.503 433 HB2 HIS 93 HB2 HIS 93 6.547 36.057 12.211 434 HB3 HIS 93 HB3 HIS 93 7.475 37.152 13.210 435 HD1 HIS 93 HD1 HIS 93 8.834 36.029 15.228 436 HD2 HIS 93 HD2 HIS 93 7.087 33.350 12.550 437 HE1 HIS 93 HE1 HIS 93 9.956 33.800 15.613 438 H LEU 94 H LEU 94 5.796 34.836 15.909 439 HA LEU 94 HA LEU 94 4.325 32.719 14.699 440 HB2 LEU 94 HB2 LEU 94 5.043 33.131 17.612 441 HB3 LEU 94 HB3 LEU 94 4.518 31.616 16.879 442 HG LEU 94 HG LEU 94 6.993 33.158 16.056 443 HD11 LEU 94 HD11 LEU 94 6.885 31.989 18.394 444 HD12 LEU 94 HD12 LEU 94 8.272 31.679 17.351 445 HD13 LEU 94 HD13 LEU 94 6.969 30.496 17.459 446 HD21 LEU 94 HD21 LEU 94 5.824 30.477 15.258 447 HD22 LEU 94 HD22 LEU 94 7.496 30.930 14.925 448 HD23 LEU 94 HD23 LEU 94 6.175 31.851 14.209 449 H TYR 95 H TYR 95 3.497 35.140 17.158 450 HA TYR 95 HA TYR 95 0.683 34.211 17.051 451 HB2 TYR 95 HB2 TYR 95 2.133 35.722 19.226 452 HB3 TYR 95 HB3 TYR 95 0.439 35.263 19.259 453 HD1 TYR 95 HD2 TYR 95 -0.175 32.815 19.310 454 HD2 TYR 95 HD1 TYR 95 3.857 34.202 19.836 455 HE1 TYR 95 HE2 TYR 95 0.447 30.632 20.305 456 HE2 TYR 95 HE1 TYR 95 4.478 32.017 20.833 457 HH TYR 95 HH TYR 95 3.618 29.691 20.825 458 H SER 96 H SER 96 -0.977 35.743 16.933 459 HA SER 96 HA SER 96 -0.385 37.912 15.174 460 HB2 SER 96 HB2 SER 96 -2.962 37.289 16.631 461 HB3 SER 96 HB3 SER 96 -2.779 38.350 15.239 462 HG SER 96 HG SER 96 -3.308 36.384 14.460 463 H SER 97 H SER 97 -1.281 37.714 18.607 464 HA SER 97 HA SER 97 -0.312 40.428 19.017 465 HB2 SER 97 HB2 SER 97 -2.372 41.310 19.893 466 HB3 SER 97 HB3 SER 97 -2.701 40.668 18.288 467 HG SER 97 HG SER 97 -3.199 39.434 20.741 468 H GLU 98 H GLU 98 -0.564 41.067 21.366 469 HA GLU 98 HA GLU 98 0.660 39.149 23.019 470 HB2 GLU 98 HB2 GLU 98 -0.803 41.696 23.741 471 HB3 GLU 98 HB3 GLU 98 0.208 40.770 24.849 472 HG2 GLU 98 HG2 GLU 98 2.123 41.047 23.292 473 HG3 GLU 98 HG3 GLU 98 1.112 42.038 22.249 474 H SER 99 H SER 99 -2.738 40.025 22.597 475 HA SER 99 HA SER 99 -3.802 38.926 24.934 476 HB2 SER 99 HB2 SER 99 -5.057 40.298 23.254 477 HB3 SER 99 HB3 SER 99 -5.096 38.888 22.200 478 HG SER 99 HG SER 99 -6.353 37.899 23.667 479 H GLU 100 H GLU 100 -3.114 37.374 21.811 480 HA GLU 100 HA GLU 100 -4.182 34.847 22.448 481 HB2 GLU 100 HB2 GLU 100 -1.981 35.628 20.530 482 HB3 GLU 100 HB3 GLU 100 -2.702 34.018 20.609 483 HG2 GLU 100 HG2 GLU 100 -4.939 35.028 20.210 484 HG3 GLU 100 HG3 GLU 100 -4.179 36.607 20.054 485 H MET 101 H MET 101 -1.008 36.267 23.100 486 HA MET 101 HA MET 101 0.280 33.891 23.947 487 HB2 MET 101 HB2 MET 101 0.739 36.772 24.759 488 HB3 MET 101 HB3 MET 101 1.826 35.436 25.140 489 HG2 MET 101 HG2 MET 101 2.000 34.960 22.678 490 HG3 MET 101 HG3 MET 101 1.070 36.429 22.379 491 HE1 MET 101 HE1 MET 101 3.920 35.545 25.046 492 HE2 MET 101 HE2 MET 101 5.307 36.016 24.066 493 HE3 MET 101 HE3 MET 101 4.222 34.751 23.495 494 H MET 102 H MET 102 -1.504 36.387 25.754 495 HA MET 102 HA MET 102 -1.122 35.326 28.323 496 HB2 MET 102 HB2 MET 102 -3.415 36.947 27.200 497 HB3 MET 102 HB3 MET 102 -3.180 36.615 28.917 498 HG2 MET 102 HG2 MET 102 -0.927 37.669 28.781 499 HG3 MET 102 HG3 MET 102 -1.247 38.077 27.095 500 HE1 MET 102 HE1 MET 102 -1.436 41.476 28.939 501 HE2 MET 102 HE2 MET 102 -0.962 40.726 27.416 502 HE3 MET 102 HE3 MET 102 -0.314 40.109 28.934 503 H LYS 103 H LYS 103 -3.549 34.596 25.867 504 HA LYS 103 HA LYS 103 -4.941 32.748 27.649 505 HB2 LYS 103 HB2 LYS 103 -5.466 33.881 24.929 506 HB3 LYS 103 HB3 LYS 103 -6.296 32.409 25.428 507 HG2 LYS 103 HG2 LYS 103 -7.751 34.153 26.090 508 HG3 LYS 103 HG3 LYS 103 -6.914 33.698 27.573 509 HD2 LYS 103 HD2 LYS 103 -5.378 35.571 27.340 510 HD3 LYS 103 HD3 LYS 103 -6.071 35.987 25.771 511 HE2 LYS 103 HE2 LYS 103 -7.701 35.909 28.319 512 HE3 LYS 103 HE3 LYS 103 -6.911 37.372 27.731 513 HZ1 LYS 103 HZ1 LYS 103 -8.130 37.136 25.649 514 HZ2 LYS 103 HZ2 LYS 103 -9.189 37.264 26.971 515 HZ3 LYS 103 HZ3 LYS 103 -8.910 35.754 26.246 516 H ALA 104 H ALA 104 -2.111 32.280 26.306 517 HA ALA 104 HA ALA 104 -2.243 30.240 24.443 518 HB1 ALA 104 HB1 ALA 104 -0.234 30.418 26.695 519 HB2 ALA 104 HB2 ALA 104 -0.167 31.398 25.231 520 HB3 ALA 104 HB3 ALA 104 -0.009 29.645 25.126 521 H ALA 105 H ALA 105 -2.264 28.014 24.533 522 HA ALA 105 HA ALA 105 -3.154 26.795 27.080 523 HB1 ALA 105 HB1 ALA 105 -5.144 26.738 25.914 524 HB2 ALA 105 HB2 ALA 105 -4.426 25.224 25.366 525 HB3 ALA 105 HB3 ALA 105 -4.347 26.658 24.344 526 HA PRO 106 HA PRO 106 -0.119 23.665 26.578 527 HB2 PRO 106 HB2 PRO 106 -2.111 21.464 26.512 528 HB3 PRO 106 HB3 PRO 106 -0.781 21.754 27.649 529 HG2 PRO 106 HG2 PRO 106 -3.323 22.137 28.341 530 HG3 PRO 106 HG3 PRO 106 -2.019 23.176 28.948 531 HD2 PRO 106 HD2 PRO 106 -4.041 23.754 26.815 532 HD3 PRO 106 HD3 PRO 106 -3.346 24.844 28.038 533 H GLY 107 H GLY 107 0.983 22.538 24.997 534 HA2 GLY 107 HA2 GLY 107 1.079 21.106 23.077 535 HA3 GLY 107 HA3 GLY 107 -0.489 21.717 22.580 536 H GLN 108 H GLN 108 0.831 24.528 23.365 537 HA GLN 108 HA GLN 108 1.681 25.024 20.619 538 HB2 GLN 108 HB2 GLN 108 1.178 26.885 22.946 539 HB3 GLN 108 HB3 GLN 108 1.714 27.421 21.351 540 HG2 GLN 108 HG2 GLN 108 -0.276 26.333 20.339 541 HG3 GLN 108 HG3 GLN 108 -0.829 25.883 21.951 542 HE21 GLN 108 HE21 GLN 108 -0.558 28.541 19.673 543 HE22 GLN 108 HE22 GLN 108 -1.377 29.683 20.624 544 H GLN 109 H GLN 109 3.642 26.172 20.114 545 HA GLN 109 HA GLN 109 5.845 25.404 21.939 546 HB2 GLN 109 HB2 GLN 109 5.806 25.724 18.931 547 HB3 GLN 109 HB3 GLN 109 7.246 25.374 19.887 548 HG2 GLN 109 HG2 GLN 109 6.244 23.300 20.703 549 HG3 GLN 109 HG3 GLN 109 4.750 23.657 19.839 550 HE21 GLN 109 HE21 GLN 109 6.248 21.265 19.333 551 HE22 GLN 109 HE22 GLN 109 6.869 21.352 17.757 552 H ILE 110 H ILE 110 7.525 26.802 22.297 553 HA ILE 110 HA ILE 110 7.244 29.576 21.312 554 HB ILE 110 HB ILE 110 8.229 28.654 24.029 555 HG12 ILE 110 HG12 ILE 110 5.752 30.240 23.290 556 HG13 ILE 110 HG13 ILE 110 5.748 28.512 23.643 557 HG21 ILE 110 HG21 ILE 110 9.402 30.660 23.235 558 HG22 ILE 110 HG22 ILE 110 8.296 31.075 24.545 559 HG23 ILE 110 HG23 ILE 110 7.859 31.436 22.873 560 HD11 ILE 110 HD11 ILE 110 6.636 28.947 25.889 561 HD12 ILE 110 HD12 ILE 110 5.144 29.851 25.637 562 HD13 ILE 110 HD13 ILE 110 6.699 30.675 25.544 563 H ILE 111 H ILE 111 9.073 30.478 20.451 564 HA ILE 111 HA ILE 111 11.484 28.759 20.377 565 HB ILE 111 HB ILE 111 10.684 30.985 18.484 566 HG12 ILE 111 HG12 ILE 111 10.639 27.982 18.057 567 HG13 ILE 111 HG13 ILE 111 9.206 28.949 18.405 568 HG21 ILE 111 HG21 ILE 111 13.124 30.608 18.654 569 HG22 ILE 111 HG22 ILE 111 12.509 30.078 17.090 570 HG23 ILE 111 HG23 ILE 111 12.880 28.891 18.339 571 HD11 ILE 111 HD11 ILE 111 9.167 28.900 16.074 572 HD12 ILE 111 HD12 ILE 111 10.926 28.937 15.944 573 HD13 ILE 111 HD13 ILE 111 10.043 30.401 16.376 574 H LEU 112 H LEU 112 13.294 29.443 21.302 575 HA LEU 112 HA LEU 112 13.565 32.310 21.999 576 HB2 LEU 112 HB2 LEU 112 14.679 29.845 23.360 577 HB3 LEU 112 HB3 LEU 112 15.142 31.497 23.771 578 HG LEU 112 HG LEU 112 12.237 30.713 23.713 579 HD11 LEU 112 HD11 LEU 112 13.495 29.088 25.163 580 HD12 LEU 112 HD12 LEU 112 12.349 30.089 26.055 581 HD13 LEU 112 HD13 LEU 112 14.074 30.456 26.113 582 HD21 LEU 112 HD21 LEU 112 12.145 32.531 25.424 583 HD22 LEU 112 HD22 LEU 112 12.791 33.090 23.881 584 HD23 LEU 112 HD23 LEU 112 13.882 32.767 25.228 585 HA PRO 113 HA PRO 113 16.990 31.324 19.114 586 HB2 PRO 113 HB2 PRO 113 16.658 33.280 17.308 587 HB3 PRO 113 HB3 PRO 113 15.587 31.864 17.335 588 HG2 PRO 113 HG2 PRO 113 15.078 34.632 18.240 589 HG3 PRO 113 HG3 PRO 113 13.963 33.440 17.552 590 HD2 PRO 113 HD2 PRO 113 14.292 34.047 20.304 591 HD3 PRO 113 HD3 PRO 113 13.354 32.705 19.616 592 H LEU 114 H LEU 114 18.937 31.873 19.933 593 HA LEU 114 HA LEU 114 19.447 34.644 20.758 594 HB2 LEU 114 HB2 LEU 114 21.072 32.115 21.119 595 HB3 LEU 114 HB3 LEU 114 21.557 33.710 21.694 596 HG LEU 114 HG LEU 114 19.177 33.697 22.830 597 HD11 LEU 114 HD11 LEU 114 18.189 31.719 22.073 598 HD12 LEU 114 HD12 LEU 114 18.850 31.215 23.628 599 HD13 LEU 114 HD13 LEU 114 19.706 30.821 22.137 600 HD21 LEU 114 HD21 LEU 114 20.192 32.867 24.856 601 HD22 LEU 114 HD22 LEU 114 21.456 33.685 23.938 602 HD23 LEU 114 HD23 LEU 114 21.369 31.923 23.943 603 H LYS 115 H LYS 115 20.769 35.987 19.652 604 HA LYS 115 HA LYS 115 21.933 34.958 17.138 605 HB2 LYS 115 HB2 LYS 115 21.298 37.814 17.915 606 HB3 LYS 115 HB3 LYS 115 21.851 37.256 16.338 607 HG2 LYS 115 HG2 LYS 115 19.265 36.393 17.668 608 HG3 LYS 115 HG3 LYS 115 19.388 37.616 16.404 609 HD2 LYS 115 HD2 LYS 115 20.458 35.879 14.928 610 HD3 LYS 115 HD3 LYS 115 20.095 34.679 16.169 611 HE2 LYS 115 HE2 LYS 115 18.294 34.595 14.584 612 HE3 LYS 115 HE3 LYS 115 17.672 35.405 16.021 613 HZ1 LYS 115 HZ1 LYS 115 18.894 37.061 13.945 614 HZ2 LYS 115 HZ2 LYS 115 17.591 37.403 14.981 615 HZ3 LYS 115 HZ3 LYS 115 17.360 36.408 13.624 616 H LYS 116 H LYS 116 24.048 35.381 16.596 617 HA LYS 116 HA LYS 116 25.754 36.580 18.703 618 HB2 LYS 116 HB2 LYS 116 26.334 34.158 16.980 619 HB3 LYS 116 HB3 LYS 116 27.495 34.930 18.060 620 HG2 LYS 116 HG2 LYS 116 25.936 34.526 19.966 621 HG3 LYS 116 HG3 LYS 116 24.868 33.653 18.869 622 HD2 LYS 116 HD2 LYS 116 26.751 32.100 18.335 623 HD3 LYS 116 HD3 LYS 116 27.730 32.925 19.550 624 HE2 LYS 116 HE2 LYS 116 26.765 30.982 20.606 625 HE3 LYS 116 HE3 LYS 116 25.924 32.398 21.236 626 HZ1 LYS 116 HZ1 LYS 116 24.553 31.681 18.966 627 HZ2 LYS 116 HZ2 LYS 116 24.057 31.438 20.573 628 HZ3 LYS 116 HZ3 LYS 116 24.891 30.211 19.743 629 H LEU 117 H LEU 117 27.630 37.659 17.972 630 HA LEU 117 HA LEU 117 27.618 38.377 15.094 631 HB2 LEU 117 HB2 LEU 117 26.829 40.193 16.669 632 HB3 LEU 117 HB3 LEU 117 28.450 40.191 17.365 633 HG LEU 117 HG LEU 117 29.274 40.475 14.925 634 HD11 LEU 117 HD11 LEU 117 26.364 41.290 14.676 635 HD12 LEU 117 HD12 LEU 117 27.165 39.982 13.805 636 HD13 LEU 117 HD13 LEU 117 27.609 41.658 13.484 637 HD21 LEU 117 HD21 LEU 117 29.273 42.225 16.750 638 HD22 LEU 117 HD22 LEU 117 27.702 42.759 16.150 639 HD23 LEU 117 HD23 LEU 117 29.127 42.881 15.119 640 HA PRO 118 HA PRO 118 31.778 36.738 16.199 641 HB2 PRO 118 HB2 PRO 118 32.119 35.006 14.155 642 HB3 PRO 118 HB3 PRO 118 31.152 34.591 15.585 643 HG2 PRO 118 HG2 PRO 118 30.266 35.374 12.869 644 HG3 PRO 118 HG3 PRO 118 29.542 34.230 14.012 645 HD2 PRO 118 HD2 PRO 118 28.668 36.852 13.589 646 HD3 PRO 118 HD3 PRO 118 28.268 35.846 14.996 647 H PHE 119 H PHE 119 32.964 38.569 15.763 648 HA PHE 119 HA PHE 119 33.189 39.889 13.297 649 HB2 PHE 119 HB2 PHE 119 35.133 39.696 15.596 650 HB3 PHE 119 HB3 PHE 119 35.316 40.796 14.244 651 HD1 PHE 119 HD2 PHE 119 33.698 42.661 13.918 652 HD2 PHE 119 HD1 PHE 119 33.574 40.109 17.372 653 HE1 PHE 119 HE2 PHE 119 32.270 44.316 15.091 654 HE2 PHE 119 HE1 PHE 119 32.146 41.764 18.543 655 HZ PHE 119 HZ PHE 119 31.494 43.868 17.402 656 H GLU 120 H GLU 120 34.927 37.103 14.583 657 HA GLU 120 HA GLU 120 37.116 37.064 12.846 658 HB2 GLU 120 HB2 GLU 120 35.615 34.756 14.098 659 HB3 GLU 120 HB3 GLU 120 37.199 34.629 13.332 660 HG2 GLU 120 HG2 GLU 120 38.074 36.327 14.928 661 HG3 GLU 120 HG3 GLU 120 36.507 36.357 15.724 662 H TYR 121 H TYR 121 33.791 36.008 12.320 663 HA TYR 121 HA TYR 121 34.543 35.020 9.635 664 HB2 TYR 121 HB2 TYR 121 32.042 34.555 11.262 665 HB3 TYR 121 HB3 TYR 121 32.337 33.918 9.655 666 HD1 TYR 121 HD2 TYR 121 34.235 32.276 9.312 667 HD2 TYR 121 HD1 TYR 121 32.878 33.486 13.205 668 HE1 TYR 121 HE2 TYR 121 35.348 30.299 10.316 669 HE2 TYR 121 HE1 TYR 121 33.992 31.509 14.207 670 HH TYR 121 HH TYR 121 34.789 28.983 12.838 671 H SER 122 H SER 122 33.793 35.983 7.844 672 HA SER 122 HA SER 122 32.444 38.541 8.137 673 HB2 SER 122 HB2 SER 122 33.624 37.121 5.746 674 HB3 SER 122 HB3 SER 122 32.853 38.702 5.670 675 HG SER 122 HG SER 122 34.506 39.500 6.732 676 H ALA 123 H ALA 123 30.959 35.875 8.496 677 HA ALA 123 HA ALA 123 29.282 35.329 6.342 678 HB1 ALA 123 HB1 ALA 123 29.528 34.169 8.675 679 HB2 ALA 123 HB2 ALA 123 27.980 34.110 7.832 680 HB3 ALA 123 HB3 ALA 123 28.225 35.260 9.147 681 H LEU 124 H LEU 124 27.279 36.064 5.687 682 HA LEU 124 HA LEU 124 26.407 38.667 6.808 683 HB2 LEU 124 HB2 LEU 124 27.556 38.818 4.570 684 HB3 LEU 124 HB3 LEU 124 26.240 37.852 3.903 685 HG LEU 124 HG LEU 124 24.682 39.618 5.003 686 HD11 LEU 124 HD11 LEU 124 25.926 41.902 4.928 687 HD12 LEU 124 HD12 LEU 124 27.391 40.936 5.101 688 HD13 LEU 124 HD13 LEU 124 26.146 40.881 6.349 689 HD21 LEU 124 HD21 LEU 124 26.445 40.298 2.626 690 HD22 LEU 124 HD22 LEU 124 24.908 41.080 2.998 691 HD23 LEU 124 HD23 LEU 124 24.947 39.368 2.577 692 HA PRO 125 HA PRO 125 22.887 35.661 7.078 693 HB2 PRO 125 HB2 PRO 125 21.620 36.990 9.150 694 HB3 PRO 125 HB3 PRO 125 22.815 35.699 9.365 695 HG2 PRO 125 HG2 PRO 125 23.163 38.641 9.553 696 HG3 PRO 125 HG3 PRO 125 23.888 37.348 10.527 697 HD2 PRO 125 HD2 PRO 125 25.277 38.615 8.575 698 HD3 PRO 125 HD3 PRO 125 25.545 36.901 8.966 699 H LEU 126 H LEU 126 21.422 35.966 5.516 700 HA LEU 126 HA LEU 126 20.701 38.414 4.382 701 HB2 LEU 126 HB2 LEU 126 20.377 36.181 3.323 702 HB3 LEU 126 HB3 LEU 126 19.037 35.886 4.430 703 HG LEU 126 HG LEU 126 17.990 38.030 3.563 704 HD11 LEU 126 HD11 LEU 126 18.864 38.608 1.203 705 HD12 LEU 126 HD12 LEU 126 20.331 37.752 1.677 706 HD13 LEU 126 HD13 LEU 126 19.813 39.178 2.576 707 HD21 LEU 126 HD21 LEU 126 18.505 35.726 1.659 708 HD22 LEU 126 HD22 LEU 126 17.269 36.958 1.401 709 HD23 LEU 126 HD23 LEU 126 17.164 35.881 2.794 710 H LEU 127 H LEU 127 19.163 36.568 6.987 711 HA LEU 127 HA LEU 127 17.032 38.547 7.240 712 HB2 LEU 127 HB2 LEU 127 17.632 36.108 8.934 713 HB3 LEU 127 HB3 LEU 127 16.164 37.082 8.994 714 HG LEU 127 HG LEU 127 17.133 35.566 6.551 715 HD11 LEU 127 HD11 LEU 127 14.912 34.962 8.529 716 HD12 LEU 127 HD12 LEU 127 16.398 34.036 8.322 717 HD13 LEU 127 HD13 LEU 127 15.198 34.080 7.029 718 HD21 LEU 127 HD21 LEU 127 15.819 37.473 5.885 719 HD22 LEU 127 HD22 LEU 127 14.639 37.178 7.163 720 HD23 LEU 127 HD23 LEU 127 14.756 36.068 5.797 721 H GLY 128 H GLY 128 16.840 40.013 8.890 722 HA2 GLY 128 HA2 GLY 128 18.977 40.102 10.924 723 HA3 GLY 128 HA3 GLY 128 18.654 41.525 9.938 724 H SER 129 H SER 129 18.174 40.394 12.895 725 HA SER 129 HA SER 129 15.441 40.676 13.459 726 HB2 SER 129 HB2 SER 129 17.776 41.361 15.259 727 HB3 SER 129 HB3 SER 129 16.127 41.018 15.770 728 HG SER 129 HG SER 129 16.419 38.958 14.975 729 H ALA 130 H ALA 130 17.981 43.101 13.108 730 HA ALA 130 HA ALA 130 15.965 45.222 13.583 731 HB1 ALA 130 HB1 ALA 130 17.717 46.631 14.429 732 HB2 ALA 130 HB2 ALA 130 18.954 45.460 13.972 733 HB3 ALA 130 HB3 ALA 130 17.825 45.086 15.275 734 HA PRO 131 HA PRO 131 17.178 45.439 9.090 735 HB2 PRO 131 HB2 PRO 131 14.624 46.971 9.061 736 HB3 PRO 131 HB3 PRO 131 15.197 45.708 7.955 737 HG2 PRO 131 HG2 PRO 131 13.301 45.224 9.753 738 HG3 PRO 131 HG3 PRO 131 14.515 44.004 9.326 739 HD2 PRO 131 HD2 PRO 131 14.324 45.682 11.793 740 HD3 PRO 131 HD3 PRO 131 14.925 44.020 11.599 741 H LEU 132 H LEU 132 18.674 46.955 8.689 742 HA LEU 132 HA LEU 132 18.355 49.646 9.831 743 HB2 LEU 132 HB2 LEU 132 20.476 48.368 10.216 744 HB3 LEU 132 HB3 LEU 132 20.773 48.429 8.478 745 HG LEU 132 HG LEU 132 20.548 50.959 8.655 746 HD11 LEU 132 HD11 LEU 132 20.489 50.162 11.558 747 HD12 LEU 132 HD12 LEU 132 19.475 51.331 10.712 748 HD13 LEU 132 HD13 LEU 132 21.156 51.722 11.074 749 HD21 LEU 132 HD21 LEU 132 22.774 49.553 10.162 750 HD22 LEU 132 HD22 LEU 132 22.853 51.218 9.584 751 HD23 LEU 132 HD23 LEU 132 22.733 49.888 8.432 752 H VAL 133 H VAL 133 17.858 51.347 8.596 753 HA VAL 133 HA VAL 133 17.016 51.029 5.919 754 HB VAL 133 HB VAL 133 17.688 53.582 7.406 755 HG11 VAL 133 HG11 VAL 133 15.877 53.109 5.019 756 HG12 VAL 133 HG12 VAL 133 17.478 53.846 4.938 757 HG13 VAL 133 HG13 VAL 133 16.178 54.657 5.810 758 HG21 VAL 133 HG21 VAL 133 15.317 53.632 7.981 759 HG22 VAL 133 HG22 VAL 133 16.015 52.114 8.545 760 HG23 VAL 133 HG23 VAL 133 15.036 52.144 7.077 761 H ALA 134 H ALA 134 20.019 52.272 7.325 762 HA ALA 134 HA ALA 134 21.156 53.433 5.069 763 HB1 ALA 134 HB1 ALA 134 22.183 53.695 7.235 764 HB2 ALA 134 HB2 ALA 134 23.350 52.919 6.163 765 HB3 ALA 134 HB3 ALA 134 22.473 51.959 7.356 766 H ALA 135 H ALA 135 21.056 50.024 6.020 767 HA ALA 135 HA ALA 135 22.715 49.240 3.759 768 HB1 ALA 135 HB1 ALA 135 21.949 46.892 4.646 769 HB2 ALA 135 HB2 ALA 135 21.429 47.811 6.059 770 HB3 ALA 135 HB3 ALA 135 23.122 47.835 5.564 771 H GLY 136 H GLY 136 21.903 48.994 1.789 772 HA2 GLY 136 HA2 GLY 136 19.121 49.063 1.214 773 HA3 GLY 136 HA3 GLY 136 20.405 48.702 0.066 774 H GLY 137 H GLY 137 21.467 46.437 1.502 775 HA2 GLY 137 HA2 GLY 137 20.037 44.397 0.236 776 HA3 GLY 137 HA3 GLY 137 21.227 44.150 1.508 777 H VAL 138 H VAL 138 19.973 45.410 3.653 778 HA VAL 138 HA VAL 138 18.110 43.366 4.409 779 HB VAL 138 HB VAL 138 18.001 44.555 6.556 780 HG11 VAL 138 HG11 VAL 138 20.471 44.464 7.049 781 HG12 VAL 138 HG12 VAL 138 20.753 44.253 5.321 782 HG13 VAL 138 HG13 VAL 138 19.854 43.033 6.224 783 HG21 VAL 138 HG21 VAL 138 19.772 46.600 5.180 784 HG22 VAL 138 HG22 VAL 138 19.306 46.611 6.879 785 HG23 VAL 138 HG23 VAL 138 18.087 46.863 5.630 786 H ALA 139 H ALA 139 17.804 46.697 3.314 787 HA ALA 139 HA ALA 139 15.161 47.181 4.161 788 HB1 ALA 139 HB1 ALA 139 15.141 48.831 2.239 789 HB2 ALA 139 HB2 ALA 139 16.752 48.246 1.823 790 HB3 ALA 139 HB3 ALA 139 16.472 49.024 3.380 791 H GLY 140 H GLY 140 13.182 46.844 3.205 792 HA2 GLY 140 HA2 GLY 140 13.134 45.064 0.829 793 HA3 GLY 140 HA3 GLY 140 12.061 44.840 2.209 794 H HIS 141 H HIS 141 12.316 46.163 -0.833 795 HA HIS 141 HA HIS 141 10.890 48.560 -0.720 796 HB2 HIS 141 HB2 HIS 141 10.834 46.432 -2.862 797 HB3 HIS 141 HB3 HIS 141 10.252 48.075 -3.056 798 HD1 HIS 141 HD1 HIS 141 12.223 49.971 -2.588 799 HD2 HIS 141 HD2 HIS 141 13.468 46.117 -3.579 800 HE1 HIS 141 HE1 HIS 141 14.625 50.171 -3.361 801 H THR 142 H THR 142 9.720 45.219 -0.791 802 HA THR 142 HA THR 142 6.949 45.989 -1.001 803 HB THR 142 HB THR 142 8.127 43.317 -0.201 804 HG1 THR 142 HG1 THR 142 8.688 43.293 -2.191 805 HG21 THR 142 HG21 THR 142 5.759 43.503 0.322 806 HG22 THR 142 HG22 THR 142 5.949 42.486 -1.106 807 HG23 THR 142 HG23 THR 142 5.423 44.160 -1.280 808 H ASN 143 H ASN 143 5.504 46.307 0.589 809 HA ASN 143 HA ASN 143 6.448 46.051 3.383 810 HB2 ASN 143 HB2 ASN 143 5.797 48.340 2.458 811 HB3 ASN 143 HB3 ASN 143 4.142 47.739 2.413 812 HD21 ASN 143 HD21 ASN 143 3.644 49.422 4.086 813 HD22 ASN 143 HD22 ASN 143 4.037 49.117 5.710 814 H GLY 144 H GLY 144 5.528 44.532 4.603 815 HA2 GLY 144 HA2 GLY 144 3.247 43.046 3.568 816 HA3 GLY 144 HA3 GLY 144 4.224 42.620 4.966 817 H SER 145 H SER 145 2.831 45.828 4.581 818 HA SER 145 HA SER 145 1.623 45.848 7.111 819 HB2 SER 145 HB2 SER 145 2.183 47.879 5.787 820 HB3 SER 145 HB3 SER 145 0.853 47.503 4.699 821 HG SER 145 HG SER 145 0.721 48.789 6.927 822 H GLY 146 H GLY 146 0.345 44.901 3.958 823 HA2 GLY 146 HA2 GLY 146 -1.558 43.711 3.414 824 HA3 GLY 146 HA3 GLY 146 -1.804 43.427 5.136 825 H SER 147 H SER 147 -3.682 44.209 5.848 826 HA SER 147 HA SER 147 -5.332 45.976 4.420 827 HB2 SER 147 HB2 SER 147 -5.332 45.411 7.395 828 HB3 SER 147 HB3 SER 147 -6.656 46.120 6.477 829 HG SER 147 HG SER 147 -6.752 43.820 6.777 830 H GLU 148 H GLU 148 -5.810 48.168 4.695 831 HA GLU 148 HA GLU 148 -3.817 49.741 6.227 832 HB2 GLU 148 HB2 GLU 148 -4.990 50.370 3.508 833 HB3 GLU 148 HB3 GLU 148 -3.931 51.435 4.434 834 HG2 GLU 148 HG2 GLU 148 -2.188 49.660 4.425 835 HG3 GLU 148 HG3 GLU 148 -3.234 48.665 3.422 836 H ASN 149 H ASN 149 -4.560 51.529 7.303 837 HA ASN 149 HA ASN 149 -7.494 51.952 7.313 838 HB2 ASN 149 HB2 ASN 149 -6.431 51.029 9.427 839 HB3 ASN 149 HB3 ASN 149 -5.582 52.566 9.570 840 HD21 ASN 149 HD21 ASN 149 -7.375 51.835 11.599 841 HD22 ASN 149 HD22 ASN 149 -8.754 52.823 11.523 842 H LEU 150 H LEU 150 -7.952 53.741 6.191 843 HA LEU 150 HA LEU 150 -6.042 55.972 6.186 844 HB2 LEU 150 HB2 LEU 150 -8.558 55.582 4.546 845 HB3 LEU 150 HB3 LEU 150 -7.353 56.851 4.327 846 HG LEU 150 HG LEU 150 -6.797 53.879 4.078 847 HD11 LEU 150 HD11 LEU 150 -7.313 56.048 2.032 848 HD12 LEU 150 HD12 LEU 150 -8.155 54.509 2.214 849 HD13 LEU 150 HD13 LEU 150 -6.492 54.541 1.627 850 HD21 LEU 150 HD21 LEU 150 -5.130 56.368 3.610 851 HD22 LEU 150 HD22 LEU 150 -4.674 54.775 3.006 852 HD23 LEU 150 HD23 LEU 150 -4.801 55.057 4.742 853 H TYR 151 H TYR 151 -6.512 57.974 6.990 854 HA TYR 151 HA TYR 151 -8.991 58.193 8.594 855 HB2 TYR 151 HB2 TYR 151 -6.345 59.598 8.944 856 HB3 TYR 151 HB3 TYR 151 -7.755 59.799 9.966 857 HD1 TYR 151 HD2 TYR 151 -8.563 57.859 11.355 858 HD2 TYR 151 HD1 TYR 151 -4.840 57.778 9.215 859 HE1 TYR 151 HE2 TYR 151 -7.801 55.956 12.753 860 HE2 TYR 151 HE1 TYR 151 -4.078 55.875 10.613 861 HH TYR 151 HH TYR 151 -6.188 54.377 12.951 862 H PHE 152 H PHE 152 -8.551 58.971 5.664 863 HA PHE 152 HA PHE 152 -8.432 61.770 5.429 864 HB2 PHE 152 HB2 PHE 152 -9.408 61.471 3.242 865 HB3 PHE 152 HB3 PHE 152 -8.223 60.212 3.536 866 HD1 PHE 152 HD2 PHE 152 -8.976 57.882 4.024 867 HD2 PHE 152 HD1 PHE 152 -11.726 60.984 2.905 868 HE1 PHE 152 HE2 PHE 152 -10.689 56.170 3.492 869 HE2 PHE 152 HE1 PHE 152 -13.440 59.273 2.372 870 HZ PHE 152 HZ PHE 152 -12.922 56.866 2.666 871 H GLN 153 H GLN 153 -11.161 59.594 6.021 872 HA GLN 153 HA GLN 153 -12.748 61.918 6.871 873 HB2 GLN 153 HB2 GLN 153 -13.362 61.379 4.511 874 HB3 GLN 153 HB3 GLN 153 -13.825 59.761 5.041 875 HG2 GLN 153 HG2 GLN 153 -15.835 61.062 5.013 876 HG3 GLN 153 HG3 GLN 153 -15.386 60.874 6.706 877 HE21 GLN 153 HE21 GLN 153 -16.048 62.839 7.642 878 HE22 GLN 153 HE22 GLN 153 -15.579 64.368 7.073 Start of MODEL 14 1 H1 MET 39 HT1 MET 39 25.430 15.617 3.499 2 H2 MET 39 HT2 MET 39 25.671 13.952 3.736 3 H3 MET 39 HT3 MET 39 24.687 14.498 2.463 4 HA MET 39 HA MET 39 27.599 14.407 2.667 5 HB2 MET 39 HB2 MET 39 25.623 14.184 0.372 6 HB3 MET 39 HB3 MET 39 27.350 13.846 0.276 7 HG2 MET 39 HG2 MET 39 25.341 12.364 2.000 8 HG3 MET 39 HG3 MET 39 26.077 11.758 0.519 9 HE1 MET 39 HE1 MET 39 28.448 11.467 0.108 10 HE2 MET 39 HE2 MET 39 29.732 11.257 1.297 11 HE3 MET 39 HE3 MET 39 29.178 12.879 0.882 12 H ASN 40 H ASN 40 27.829 16.631 3.400 13 HA ASN 40 HA ASN 40 27.271 18.663 1.328 14 HB2 ASN 40 HB2 ASN 40 26.421 18.968 3.715 15 HB3 ASN 40 HB3 ASN 40 28.107 19.179 4.181 16 HD21 ASN 40 HD21 ASN 40 27.604 21.457 4.754 17 HD22 ASN 40 HD22 ASN 40 27.436 22.622 3.530 18 H GLY 41 H GLY 41 28.916 20.068 0.649 19 HA2 GLY 41 HA2 GLY 41 31.102 20.842 0.379 20 HA3 GLY 41 HA3 GLY 41 31.636 19.688 1.597 21 H GLU 42 H GLU 42 29.784 19.087 -1.368 22 HA GLU 42 HA GLU 42 31.220 16.780 -2.078 23 HB2 GLU 42 HB2 GLU 42 29.586 18.651 -3.806 24 HB3 GLU 42 HB3 GLU 42 30.134 17.047 -4.296 25 HG2 GLU 42 HG2 GLU 42 28.373 17.633 -1.901 26 HG3 GLU 42 HG3 GLU 42 27.807 17.004 -3.443 27 H ASN 43 H ASN 43 31.679 20.171 -2.984 28 HA ASN 43 HA ASN 43 34.087 19.397 -4.525 29 HB2 ASN 43 HB2 ASN 43 32.243 20.709 -5.676 30 HB3 ASN 43 HB3 ASN 43 32.656 22.052 -4.614 31 HD21 ASN 43 HD21 ASN 43 32.970 22.276 -7.437 32 HD22 ASN 43 HD22 ASN 43 34.627 22.365 -7.792 33 H TYR 44 H TYR 44 35.640 19.312 -2.957 34 HA TYR 44 HA TYR 44 35.915 21.185 -0.844 35 HB2 TYR 44 HB2 TYR 44 38.043 20.163 -0.439 36 HB3 TYR 44 HB3 TYR 44 36.887 18.911 -0.846 37 HD1 TYR 44 HD2 TYR 44 36.992 17.786 -3.064 38 HD2 TYR 44 HD1 TYR 44 39.960 20.626 -1.806 39 HE1 TYR 44 HE2 TYR 44 38.520 16.978 -4.843 40 HE2 TYR 44 HE1 TYR 44 41.487 19.817 -3.585 41 HH TYR 44 HH TYR 44 40.728 18.308 -6.087 42 H PHE 45 H PHE 45 37.136 21.117 -4.143 43 HA PHE 45 HA PHE 45 39.223 22.950 -3.955 44 HB2 PHE 45 HB2 PHE 45 38.669 21.603 -5.960 45 HB3 PHE 45 HB3 PHE 45 37.276 22.629 -6.240 46 HD1 PHE 45 HD1 PHE 45 40.971 22.477 -6.217 47 HD2 PHE 45 HD2 PHE 45 37.513 24.828 -7.204 48 HE1 PHE 45 HE1 PHE 45 42.400 24.039 -7.509 49 HE2 PHE 45 HE2 PHE 45 38.942 26.388 -8.496 50 HZ PHE 45 HZ PHE 45 41.387 25.994 -8.649 51 H LYS 46 H LYS 46 35.741 23.533 -4.327 52 HA LYS 46 HA LYS 46 36.124 26.400 -4.557 53 HB2 LYS 46 HB2 LYS 46 33.626 24.713 -4.288 54 HB3 LYS 46 HB3 LYS 46 33.633 26.459 -4.545 55 HG2 LYS 46 HG2 LYS 46 34.952 26.109 -6.635 56 HG3 LYS 46 HG3 LYS 46 34.807 24.366 -6.398 57 HD2 LYS 46 HD2 LYS 46 32.323 24.610 -6.420 58 HD3 LYS 46 HD3 LYS 46 32.525 26.322 -6.791 59 HE2 LYS 46 HE2 LYS 46 33.510 25.863 -8.901 60 HE3 LYS 46 HE3 LYS 46 33.786 24.170 -8.492 61 HZ1 LYS 46 HZ1 LYS 46 31.811 24.733 -9.980 62 HZ2 LYS 46 HZ2 LYS 46 31.060 25.301 -8.567 63 HZ3 LYS 46 HZ3 LYS 46 31.540 23.675 -8.682 64 H LEU 47 H LEU 47 36.385 27.716 -2.896 65 HA LEU 47 HA LEU 47 36.209 26.897 -0.189 66 HB2 LEU 47 HB2 LEU 47 36.269 29.701 -1.330 67 HB3 LEU 47 HB3 LEU 47 36.619 29.254 0.339 68 HG LEU 47 HG LEU 47 38.162 28.251 -2.072 69 HD11 LEU 47 HD11 LEU 47 39.967 29.734 -1.178 70 HD12 LEU 47 HD12 LEU 47 38.813 30.383 -0.013 71 HD13 LEU 47 HD13 LEU 47 38.559 30.635 -1.740 72 HD21 LEU 47 HD21 LEU 47 38.369 26.639 -0.338 73 HD22 LEU 47 HD22 LEU 47 38.423 27.877 0.917 74 HD23 LEU 47 HD23 LEU 47 39.799 27.656 -0.162 75 H GLY 48 H GLY 48 33.949 28.559 -2.328 76 HA2 GLY 48 HA2 GLY 48 32.168 29.627 -0.483 77 HA3 GLY 48 HA3 GLY 48 31.718 29.061 -2.087 78 H SER 49 H SER 49 32.479 26.291 -1.603 79 HA SER 49 HA SER 49 30.031 25.270 -0.728 80 HB2 SER 49 HB2 SER 49 31.753 24.056 -2.106 81 HB3 SER 49 HB3 SER 49 32.680 23.817 -0.629 82 HG SER 49 HG SER 49 30.300 22.711 -1.411 83 H ASP 50 H ASP 50 33.018 25.869 1.077 84 HA ASP 50 HA ASP 50 31.843 24.744 3.506 85 HB2 ASP 50 HB2 ASP 50 34.050 25.235 4.510 86 HB3 ASP 50 HB3 ASP 50 34.185 24.244 3.059 87 H SER 51 H SER 51 31.465 25.930 5.389 88 HA SER 51 HA SER 51 31.348 28.875 5.051 89 HB2 SER 51 HB2 SER 51 29.100 27.802 5.037 90 HB3 SER 51 HB3 SER 51 29.442 27.129 6.628 91 HG SER 51 HG SER 51 29.278 29.818 5.907 92 H LYS 52 H LYS 52 32.370 30.039 6.544 93 HA LYS 52 HA LYS 52 34.044 28.845 8.476 94 HB2 LYS 52 HB2 LYS 52 34.434 31.071 7.438 95 HB3 LYS 52 HB3 LYS 52 33.087 31.714 8.375 96 HG2 LYS 52 HG2 LYS 52 34.248 31.017 10.465 97 HG3 LYS 52 HG3 LYS 52 35.618 30.474 9.496 98 HD2 LYS 52 HD2 LYS 52 35.808 32.797 8.568 99 HD3 LYS 52 HD3 LYS 52 34.551 33.304 9.698 100 HE2 LYS 52 HE2 LYS 52 36.628 33.807 10.766 101 HE3 LYS 52 HE3 LYS 52 36.019 32.353 11.555 102 HZ1 LYS 52 HZ1 LYS 52 38.070 32.484 9.414 103 HZ2 LYS 52 HZ2 LYS 52 37.407 31.043 10.019 104 HZ3 LYS 52 HZ3 LYS 52 38.320 32.052 11.035 105 H LEU 53 H LEU 53 30.794 30.223 8.709 106 HA LEU 53 HA LEU 53 30.806 30.024 11.615 107 HB2 LEU 53 HB2 LEU 53 28.773 30.957 9.593 108 HB3 LEU 53 HB3 LEU 53 28.377 30.771 11.301 109 HG LEU 53 HG LEU 53 30.486 32.215 11.733 110 HD11 LEU 53 HD11 LEU 53 30.668 33.873 9.695 111 HD12 LEU 53 HD12 LEU 53 30.071 32.493 8.772 112 HD13 LEU 53 HD13 LEU 53 31.578 32.363 9.679 113 HD21 LEU 53 HD21 LEU 53 28.069 33.456 10.381 114 HD22 LEU 53 HD22 LEU 53 29.165 34.270 11.497 115 HD23 LEU 53 HD23 LEU 53 28.135 32.959 12.071 116 H LEU 54 H LEU 54 30.636 28.042 12.441 117 HA LEU 54 HA LEU 54 29.264 25.873 11.201 118 HB2 LEU 54 HB2 LEU 54 30.297 26.308 14.004 119 HB3 LEU 54 HB3 LEU 54 29.525 24.808 13.487 120 HG LEU 54 HG LEU 54 31.241 24.893 11.519 121 HD11 LEU 54 HD11 LEU 54 32.271 26.981 11.718 122 HD12 LEU 54 HD12 LEU 54 33.427 25.933 12.540 123 HD13 LEU 54 HD13 LEU 54 32.299 26.911 13.481 124 HD21 LEU 54 HD21 LEU 54 32.781 23.567 12.815 125 HD22 LEU 54 HD22 LEU 54 31.172 23.278 13.476 126 HD23 LEU 54 HD23 LEU 54 32.288 24.357 14.313 127 H THR 55 H THR 55 28.319 28.323 13.545 128 HA THR 55 HA THR 55 26.123 27.117 14.729 129 HB THR 55 HB THR 55 27.004 29.252 15.497 130 HG1 THR 55 HG1 THR 55 24.923 28.989 16.026 131 HG21 THR 55 HG21 THR 55 26.783 31.280 14.252 132 HG22 THR 55 HG22 THR 55 25.749 30.510 13.050 133 HG23 THR 55 HG23 THR 55 27.462 30.096 13.136 134 H HIS 56 H HIS 56 26.260 28.894 11.651 135 HA HIS 56 HA HIS 56 23.509 28.938 11.105 136 HB2 HIS 56 HB2 HIS 56 25.221 30.193 9.833 137 HB3 HIS 56 HB3 HIS 56 25.792 28.686 9.143 138 HD1 HIS 56 HD1 HIS 56 22.492 30.602 9.355 139 HD2 HIS 56 HD2 HIS 56 24.610 28.169 6.713 140 HE1 HIS 56 HE1 HIS 56 21.127 30.499 7.226 141 H ASN 57 H ASN 57 25.970 26.494 10.399 142 HA ASN 57 HA ASN 57 24.398 24.773 8.835 143 HB2 ASN 57 HB2 ASN 57 26.731 24.163 10.656 144 HB3 ASN 57 HB3 ASN 57 26.055 23.033 9.486 145 HD21 ASN 57 HD21 ASN 57 28.782 24.062 9.373 146 HD22 ASN 57 HD22 ASN 57 28.916 24.966 7.943 147 H SER 58 H SER 58 24.580 25.155 12.330 148 HA SER 58 HA SER 58 22.896 22.742 12.673 149 HB2 SER 58 HB2 SER 58 24.662 24.156 14.681 150 HB3 SER 58 HB3 SER 58 23.709 22.708 14.985 151 HG SER 58 HG SER 58 24.953 21.847 13.177 152 H TYR 59 H TYR 59 21.039 22.821 13.855 153 HA TYR 59 HA TYR 59 19.804 25.426 14.185 154 HB2 TYR 59 HB2 TYR 59 17.777 24.222 14.588 155 HB3 TYR 59 HB3 TYR 59 18.591 23.518 13.205 156 HD1 TYR 59 HD2 TYR 59 19.718 21.305 13.413 157 HD2 TYR 59 HD1 TYR 59 17.399 22.993 16.611 158 HE1 TYR 59 HE2 TYR 59 19.603 19.080 14.504 159 HE2 TYR 59 HE1 TYR 59 17.282 20.768 17.701 160 HH TYR 59 HH TYR 59 19.043 18.489 17.374 161 H GLN 60 H GLN 60 21.743 23.575 16.208 162 HA GLN 60 HA GLN 60 20.446 23.574 18.670 163 HB2 GLN 60 HB2 GLN 60 23.380 23.934 18.038 164 HB3 GLN 60 HB3 GLN 60 22.741 23.603 19.649 165 HG2 GLN 60 HG2 GLN 60 21.760 21.506 18.867 166 HG3 GLN 60 HG3 GLN 60 22.298 21.842 17.223 167 HE21 GLN 60 HE21 GLN 60 23.122 19.481 18.629 168 HE22 GLN 60 HE22 GLN 60 24.792 19.591 18.914 169 H ASN 61 H ASN 61 21.943 26.254 16.962 170 HA ASN 61 HA ASN 61 22.500 28.025 19.000 171 HB2 ASN 61 HB2 ASN 61 22.186 29.808 17.372 172 HB3 ASN 61 HB3 ASN 61 23.003 28.436 16.627 173 HD21 ASN 61 HD21 ASN 61 21.468 30.428 15.146 174 HD22 ASN 61 HD22 ASN 61 20.154 29.620 14.438 175 H ARG 62 H ARG 62 19.337 27.080 17.819 176 HA ARG 62 HA ARG 62 18.103 28.979 19.730 177 HB2 ARG 62 HB2 ARG 62 16.125 28.978 18.310 178 HB3 ARG 62 HB3 ARG 62 17.539 29.463 17.377 179 HG2 ARG 62 HG2 ARG 62 17.743 27.067 16.600 180 HG3 ARG 62 HG3 ARG 62 16.186 26.752 17.369 181 HD2 ARG 62 HD2 ARG 62 15.183 28.574 15.988 182 HD3 ARG 62 HD3 ARG 62 16.727 28.757 15.163 183 HE ARG 62 HE ARG 62 14.800 26.620 14.802 184 HH11 ARG 62 HH11 ARG 62 18.145 27.582 14.339 185 HH12 ARG 62 HH12 ARG 62 18.410 26.418 13.083 186 HH21 ARG 62 HH21 ARG 62 15.202 25.142 13.181 187 HH22 ARG 62 HH22 ARG 62 16.763 25.054 12.438 188 H LEU 63 H LEU 63 16.520 28.231 21.105 189 HA LEU 63 HA LEU 63 16.421 25.280 21.384 190 HB2 LEU 63 HB2 LEU 63 17.646 26.654 23.144 191 HB3 LEU 63 HB3 LEU 63 16.072 27.305 23.598 192 HG LEU 63 HG LEU 63 16.383 24.329 23.376 193 HD11 LEU 63 HD11 LEU 63 17.223 24.155 25.636 194 HD12 LEU 63 HD12 LEU 63 17.157 25.905 25.846 195 HD13 LEU 63 HD13 LEU 63 18.325 25.194 24.732 196 HD21 LEU 63 HD21 LEU 63 14.181 24.941 23.871 197 HD22 LEU 63 HD22 LEU 63 14.676 26.307 24.868 198 HD23 LEU 63 HD23 LEU 63 14.843 24.661 25.480 199 H PHE 64 H PHE 64 14.478 24.331 21.291 200 HA PHE 64 HA PHE 64 12.082 26.026 21.196 201 HB2 PHE 64 HB2 PHE 64 12.540 23.127 20.493 202 HB3 PHE 64 HB3 PHE 64 10.978 23.919 20.419 203 HD1 PHE 64 HD1 PHE 64 10.545 25.685 18.734 204 HD2 PHE 64 HD2 PHE 64 14.238 23.491 18.827 205 HE1 PHE 64 HE1 PHE 64 11.053 26.443 16.429 206 HE2 PHE 64 HE2 PHE 64 14.747 24.251 16.521 207 HZ PHE 64 HZ PHE 64 13.153 25.726 15.322 208 H TYR 65 H TYR 65 10.653 26.119 22.835 209 HA TYR 65 HA TYR 65 10.748 23.996 24.908 210 HB2 TYR 65 HB2 TYR 65 11.470 26.305 25.630 211 HB3 TYR 65 HB3 TYR 65 9.840 26.850 25.281 212 HD1 TYR 65 HD2 TYR 65 11.921 24.716 27.463 213 HD2 TYR 65 HD1 TYR 65 7.999 26.325 26.765 214 HE1 TYR 65 HE2 TYR 65 11.222 23.997 29.731 215 HE2 TYR 65 HE1 TYR 65 7.300 25.606 29.034 216 HH TYR 65 HH TYR 65 8.058 24.764 30.997 217 H THR 66 H THR 66 8.805 23.092 25.542 218 HA THR 66 HA THR 66 6.514 23.717 23.781 219 HB THR 66 HB THR 66 7.025 21.214 25.405 220 HG1 THR 66 HG1 THR 66 7.513 20.447 23.274 221 HG21 THR 66 HG21 THR 66 4.712 21.340 24.954 222 HG22 THR 66 HG22 THR 66 5.343 20.359 23.631 223 HG23 THR 66 HG23 THR 66 4.972 22.062 23.367 224 H LEU 67 H LEU 67 4.522 24.152 24.589 225 HA LEU 67 HA LEU 67 4.357 24.969 27.370 226 HB2 LEU 67 HB2 LEU 67 2.421 25.121 25.049 227 HB3 LEU 67 HB3 LEU 67 2.065 25.742 26.658 228 HG LEU 67 HG LEU 67 4.478 26.590 25.034 229 HD11 LEU 67 HD11 LEU 67 3.010 28.770 24.929 230 HD12 LEU 67 HD12 LEU 67 1.668 27.651 25.173 231 HD13 LEU 67 HD13 LEU 67 2.721 27.474 23.769 232 HD21 LEU 67 HD21 LEU 67 4.146 28.578 26.727 233 HD22 LEU 67 HD22 LEU 67 4.941 27.101 27.270 234 HD23 LEU 67 HD23 LEU 67 3.245 27.384 27.659 235 H LYS 68 H LYS 68 3.527 23.791 28.960 236 HA LYS 68 HA LYS 68 1.814 21.467 28.287 237 HB2 LYS 68 HB2 LYS 68 3.854 21.753 30.507 238 HB3 LYS 68 HB3 LYS 68 2.757 20.384 30.314 239 HG2 LYS 68 HG2 LYS 68 3.710 19.987 28.044 240 HG3 LYS 68 HG3 LYS 68 4.869 21.284 28.334 241 HD2 LYS 68 HD2 LYS 68 5.678 20.052 30.351 242 HD3 LYS 68 HD3 LYS 68 4.598 18.722 29.930 243 HE2 LYS 68 HE2 LYS 68 5.740 18.542 27.719 244 HE3 LYS 68 HE3 LYS 68 6.871 19.793 28.234 245 HZ1 LYS 68 HZ1 LYS 68 6.504 17.531 30.032 246 HZ2 LYS 68 HZ2 LYS 68 7.912 18.404 29.655 247 HZ3 LYS 68 HZ3 LYS 68 7.333 17.220 28.585 248 H THR 69 H THR 69 0.061 21.048 29.642 249 HA THR 69 HA THR 69 -1.337 23.242 30.627 250 HB THR 69 HB THR 69 -2.436 21.138 30.058 251 HG1 THR 69 HG1 THR 69 -2.716 21.746 32.761 252 HG21 THR 69 HG21 THR 69 -2.223 19.174 31.487 253 HG22 THR 69 HG22 THR 69 -1.122 20.039 32.559 254 HG23 THR 69 HG23 THR 69 -0.626 19.650 30.911 255 H GLY 70 H GLY 70 -1.446 24.295 32.521 256 HA2 GLY 70 HA2 GLY 70 -1.327 24.330 34.938 257 HA3 GLY 70 HA3 GLY 70 0.017 23.202 34.846 258 H GLU 71 H GLU 71 1.212 24.808 32.555 259 HA GLU 71 HA GLU 71 2.378 26.944 34.242 260 HB2 GLU 71 HB2 GLU 71 3.891 25.100 33.414 261 HB3 GLU 71 HB3 GLU 71 3.587 25.682 31.776 262 HG2 GLU 71 HG2 GLU 71 4.392 27.934 32.457 263 HG3 GLU 71 HG3 GLU 71 4.769 27.297 34.051 264 H THR 72 H THR 72 2.615 29.013 33.420 265 HA THR 72 HA THR 72 1.054 29.590 30.964 266 HB THR 72 HB THR 72 0.539 31.760 31.947 267 HG1 THR 72 HG1 THR 72 1.245 32.104 34.075 268 HG21 THR 72 HG21 THR 72 0.009 29.761 34.133 269 HG22 THR 72 HG22 THR 72 -0.742 29.573 32.548 270 HG23 THR 72 HG23 THR 72 -1.051 31.022 33.504 271 H VAL 73 H VAL 73 1.737 31.530 29.773 272 HA VAL 73 HA VAL 73 4.433 31.403 29.018 273 HB VAL 73 HB VAL 73 2.493 33.700 28.639 274 HG11 VAL 73 HG11 VAL 73 3.897 34.230 26.679 275 HG12 VAL 73 HG12 VAL 73 4.993 32.916 27.107 276 HG13 VAL 73 HG13 VAL 73 4.836 34.315 28.169 277 HG21 VAL 73 HG21 VAL 73 3.039 31.181 27.048 278 HG22 VAL 73 HG22 VAL 73 2.197 32.577 26.375 279 HG23 VAL 73 HG23 VAL 73 1.504 31.705 27.741 280 H ALA 74 H ALA 74 2.744 33.649 31.195 281 HA ALA 74 HA ALA 74 4.912 35.371 31.689 282 HB1 ALA 74 HB1 ALA 74 2.332 35.414 32.411 283 HB2 ALA 74 HB2 ALA 74 3.565 36.355 33.250 284 HB3 ALA 74 HB3 ALA 74 3.023 34.815 33.919 285 H ASP 75 H ASP 75 3.982 32.299 33.197 286 HA ASP 75 HA ASP 75 5.761 32.383 35.379 287 HB2 ASP 75 HB2 ASP 75 4.703 30.017 33.814 288 HB3 ASP 75 HB3 ASP 75 5.556 29.897 35.350 289 H LEU 76 H LEU 76 6.159 31.112 32.085 290 HA LEU 76 HA LEU 76 8.768 30.118 32.347 291 HB2 LEU 76 HB2 LEU 76 7.305 31.299 29.982 292 HB3 LEU 76 HB3 LEU 76 8.916 30.596 29.853 293 HG LEU 76 HG LEU 76 6.685 29.043 31.144 294 HD11 LEU 76 HD11 LEU 76 6.053 29.913 28.803 295 HD12 LEU 76 HD12 LEU 76 5.982 28.168 29.050 296 HD13 LEU 76 HD13 LEU 76 7.352 28.883 28.201 297 HD21 LEU 76 HD21 LEU 76 8.061 27.169 30.626 298 HD22 LEU 76 HD22 LEU 76 9.180 28.407 31.198 299 HD23 LEU 76 HD23 LEU 76 9.018 28.096 29.470 300 H SER 77 H SER 77 7.611 33.350 31.494 301 HA SER 77 HA SER 77 10.084 34.512 30.860 302 HB2 SER 77 HB2 SER 77 7.820 35.505 30.426 303 HB3 SER 77 HB3 SER 77 7.721 35.898 32.138 304 HG SER 77 HG SER 77 9.085 37.115 30.190 305 H LYS 78 H LYS 78 8.402 34.231 33.964 306 HA LYS 78 HA LYS 78 10.140 35.878 35.455 307 HB2 LYS 78 HB2 LYS 78 7.883 35.141 36.205 308 HB3 LYS 78 HB3 LYS 78 8.530 33.519 36.450 309 HG2 LYS 78 HG2 LYS 78 10.123 34.359 38.096 310 HG3 LYS 78 HG3 LYS 78 9.592 36.015 37.803 311 HD2 LYS 78 HD2 LYS 78 8.486 35.237 39.804 312 HD3 LYS 78 HD3 LYS 78 7.280 35.321 38.520 313 HE2 LYS 78 HE2 LYS 78 8.750 32.740 38.907 314 HE3 LYS 78 HE3 LYS 78 7.485 33.164 40.059 315 HZ1 LYS 78 HZ1 LYS 78 5.969 32.577 38.583 316 HZ2 LYS 78 HZ2 LYS 78 7.189 32.126 37.490 317 HZ3 LYS 78 HZ3 LYS 78 6.565 33.706 37.465 318 H SER 79 H SER 79 10.104 32.352 34.980 319 HA SER 79 HA SER 79 12.258 31.747 36.683 320 HB2 SER 79 HB2 SER 79 10.669 30.080 35.698 321 HB3 SER 79 HB3 SER 79 11.486 30.280 34.152 322 HG SER 79 HG SER 79 12.617 29.409 36.552 323 H GLN 80 H GLN 80 12.178 32.520 33.230 324 HA GLN 80 HA GLN 80 15.005 32.248 32.864 325 HB2 GLN 80 HB2 GLN 80 12.878 33.549 31.160 326 HB3 GLN 80 HB3 GLN 80 14.548 33.292 30.655 327 HG2 GLN 80 HG2 GLN 80 14.304 30.880 30.944 328 HG3 GLN 80 HG3 GLN 80 12.666 31.094 31.555 329 HE21 GLN 80 HE21 GLN 80 13.183 29.488 29.253 330 HE22 GLN 80 HE22 GLN 80 12.509 30.258 27.899 331 H ASP 81 H ASP 81 13.111 34.774 34.214 332 HA ASP 81 HA ASP 81 13.589 36.930 34.824 333 HB2 ASP 81 HB2 ASP 81 15.637 35.780 35.743 334 HB3 ASP 81 HB3 ASP 81 16.475 36.225 34.259 335 H ILE 82 H ILE 82 12.760 36.526 32.228 336 HA ILE 82 HA ILE 82 14.311 38.532 30.694 337 HB ILE 82 HB ILE 82 12.523 36.333 29.616 338 HG12 ILE 82 HG12 ILE 82 15.545 36.591 29.502 339 HG13 ILE 82 HG13 ILE 82 14.686 35.540 30.630 340 HG21 ILE 82 HG21 ILE 82 13.451 37.019 27.436 341 HG22 ILE 82 HG22 ILE 82 14.375 38.296 28.225 342 HG23 ILE 82 HG23 ILE 82 12.612 38.365 28.207 343 HD11 ILE 82 HD11 ILE 82 15.299 34.174 28.753 344 HD12 ILE 82 HD12 ILE 82 14.699 35.374 27.608 345 HD13 ILE 82 HD13 ILE 82 13.567 34.474 28.615 346 H ASN 83 H ASN 83 13.160 40.186 29.677 347 HA ASN 83 HA ASN 83 10.735 40.968 30.986 348 HB2 ASN 83 HB2 ASN 83 12.104 42.160 28.564 349 HB3 ASN 83 HB3 ASN 83 10.834 42.929 29.515 350 HD21 ASN 83 HD21 ASN 83 11.661 42.325 32.139 351 HD22 ASN 83 HD22 ASN 83 13.164 43.054 32.436 352 H LEU 84 H LEU 84 8.659 40.838 30.308 353 HA LEU 84 HA LEU 84 7.878 38.935 28.413 354 HB2 LEU 84 HB2 LEU 84 6.335 41.311 29.480 355 HB3 LEU 84 HB3 LEU 84 5.623 39.968 28.586 356 HG LEU 84 HG LEU 84 7.186 39.639 31.163 357 HD11 LEU 84 HD11 LEU 84 5.248 40.738 31.888 358 HD12 LEU 84 HD12 LEU 84 4.755 39.046 31.965 359 HD13 LEU 84 HD13 LEU 84 4.259 40.049 30.601 360 HD21 LEU 84 HD21 LEU 84 5.934 37.405 31.085 361 HD22 LEU 84 HD22 LEU 84 7.221 37.609 29.898 362 HD23 LEU 84 HD23 LEU 84 5.537 37.801 29.413 363 H SER 85 H SER 85 8.417 42.415 28.059 364 HA SER 85 HA SER 85 7.258 42.755 25.521 365 HB2 SER 85 HB2 SER 85 8.058 44.601 27.019 366 HB3 SER 85 HB3 SER 85 9.709 44.168 26.594 367 HG SER 85 HG SER 85 9.202 44.677 24.495 368 H THR 86 H THR 86 10.537 41.778 26.475 369 HA THR 86 HA THR 86 11.656 41.726 23.884 370 HB THR 86 HB THR 86 12.403 39.981 26.242 371 HG1 THR 86 HG1 THR 86 13.555 41.681 26.878 372 HG21 THR 86 HG21 THR 86 13.994 40.984 23.864 373 HG22 THR 86 HG22 THR 86 13.421 39.331 24.087 374 HG23 THR 86 HG23 THR 86 14.627 40.002 25.185 375 H ILE 87 H ILE 87 10.050 39.201 25.798 376 HA ILE 87 HA ILE 87 10.507 37.045 24.065 377 HB ILE 87 HB ILE 87 8.099 37.519 25.847 378 HG12 ILE 87 HG12 ILE 87 10.684 36.041 26.428 379 HG13 ILE 87 HG13 ILE 87 10.343 37.681 26.980 380 HG21 ILE 87 HG21 ILE 87 7.877 35.091 25.830 381 HG22 ILE 87 HG22 ILE 87 9.315 34.934 24.821 382 HG23 ILE 87 HG23 ILE 87 7.855 35.678 24.167 383 HD11 ILE 87 HD11 ILE 87 8.690 35.227 27.641 384 HD12 ILE 87 HD12 ILE 87 8.355 36.869 28.192 385 HD13 ILE 87 HD13 ILE 87 9.809 36.035 28.738 386 H TRP 88 H TRP 88 7.811 39.351 24.203 387 HA TRP 88 HA TRP 88 6.294 38.280 22.101 388 HB2 TRP 88 HB2 TRP 88 5.468 39.998 23.659 389 HB3 TRP 88 HB3 TRP 88 6.550 41.171 22.932 390 HD1 TRP 88 HD1 TRP 88 3.371 39.168 22.232 391 HE1 TRP 88 HE1 TRP 88 2.114 40.274 20.272 392 HE3 TRP 88 HE3 TRP 88 6.817 42.669 20.837 393 HZ2 TRP 88 HZ2 TRP 88 2.518 42.370 18.362 394 HZ3 TRP 88 HZ3 TRP 88 6.357 44.202 18.950 395 HH2 TRP 88 HH2 TRP 88 4.216 44.060 17.711 396 H SER 89 H SER 89 8.853 40.771 22.018 397 HA SER 89 HA SER 89 8.582 41.547 19.370 398 HB2 SER 89 HB2 SER 89 10.834 42.383 19.511 399 HB3 SER 89 HB3 SER 89 10.074 42.604 21.084 400 HG SER 89 HG SER 89 11.613 41.392 21.790 401 H LEU 90 H LEU 90 10.414 38.800 20.688 402 HA LEU 90 HA LEU 90 11.486 38.007 18.160 403 HB2 LEU 90 HB2 LEU 90 11.095 36.393 20.693 404 HB3 LEU 90 HB3 LEU 90 12.101 35.928 19.320 405 HG LEU 90 HG LEU 90 12.486 38.477 20.914 406 HD11 LEU 90 HD11 LEU 90 13.636 35.713 21.187 407 HD12 LEU 90 HD12 LEU 90 13.109 36.827 22.449 408 HD13 LEU 90 HD13 LEU 90 14.626 37.113 21.597 409 HD21 LEU 90 HD21 LEU 90 14.036 37.076 18.722 410 HD22 LEU 90 HD22 LEU 90 14.756 38.321 19.745 411 HD23 LEU 90 HD23 LEU 90 13.386 38.716 18.706 412 H ASN 91 H ASN 91 8.798 36.699 20.127 413 HA ASN 91 HA ASN 91 8.090 34.876 17.976 414 HB2 ASN 91 HB2 ASN 91 6.935 35.290 20.732 415 HB3 ASN 91 HB3 ASN 91 6.374 34.066 19.592 416 HD21 ASN 91 HD21 ASN 91 9.504 35.197 21.013 417 HD22 ASN 91 HD22 ASN 91 10.154 33.634 21.157 418 H LYS 92 H LYS 92 7.435 38.047 18.229 419 HA LYS 92 HA LYS 92 4.718 38.387 18.030 420 HB2 LYS 92 HB2 LYS 92 5.170 40.417 16.809 421 HB3 LYS 92 HB3 LYS 92 6.413 40.202 18.037 422 HG2 LYS 92 HG2 LYS 92 7.904 39.214 16.286 423 HG3 LYS 92 HG3 LYS 92 6.673 39.589 15.078 424 HD2 LYS 92 HD2 LYS 92 6.795 42.004 15.893 425 HD3 LYS 92 HD3 LYS 92 8.242 41.532 16.785 426 HE2 LYS 92 HE2 LYS 92 9.424 40.989 14.800 427 HE3 LYS 92 HE3 LYS 92 7.951 40.985 13.829 428 HZ1 LYS 92 HZ1 LYS 92 9.451 43.274 14.916 429 HZ2 LYS 92 HZ2 LYS 92 7.791 43.429 14.586 430 HZ3 LYS 92 HZ3 LYS 92 8.875 43.023 13.340 431 H HIS 93 H HIS 93 6.841 36.945 15.634 432 HA HIS 93 HA HIS 93 4.973 37.121 13.477 433 HB2 HIS 93 HB2 HIS 93 6.458 35.719 12.267 434 HB3 HIS 93 HB3 HIS 93 7.427 36.838 13.199 435 HD1 HIS 93 HD1 HIS 93 8.755 35.803 15.271 436 HD2 HIS 93 HD2 HIS 93 6.851 33.014 12.821 437 HE1 HIS 93 HE1 HIS 93 9.777 33.559 15.814 438 H LEU 94 H LEU 94 5.622 34.713 15.983 439 HA LEU 94 HA LEU 94 3.989 32.669 14.831 440 HB2 LEU 94 HB2 LEU 94 4.836 33.057 17.711 441 HB3 LEU 94 HB3 LEU 94 4.177 31.577 17.017 442 HG LEU 94 HG LEU 94 6.726 32.926 16.090 443 HD11 LEU 94 HD11 LEU 94 7.905 31.147 17.239 444 HD12 LEU 94 HD12 LEU 94 6.385 30.374 17.690 445 HD13 LEU 94 HD13 LEU 94 6.829 31.926 18.400 446 HD21 LEU 94 HD21 LEU 94 5.753 31.666 14.289 447 HD22 LEU 94 HD22 LEU 94 5.338 30.333 15.366 448 HD23 LEU 94 HD23 LEU 94 7.027 30.655 14.973 449 H TYR 95 H TYR 95 3.415 35.146 17.313 450 HA TYR 95 HA TYR 95 0.537 34.424 17.278 451 HB2 TYR 95 HB2 TYR 95 2.141 35.724 19.480 452 HB3 TYR 95 HB3 TYR 95 0.430 35.343 19.542 453 HD1 TYR 95 HD2 TYR 95 -0.298 32.924 19.465 454 HD2 TYR 95 HD1 TYR 95 3.802 34.100 19.967 455 HE1 TYR 95 HE2 TYR 95 0.248 30.658 20.313 456 HE2 TYR 95 HE1 TYR 95 4.349 31.834 20.816 457 HH TYR 95 HH TYR 95 3.424 29.583 20.743 458 H SER 96 H SER 96 -0.997 36.082 17.291 459 HA SER 96 HA SER 96 -0.239 38.312 15.651 460 HB2 SER 96 HB2 SER 96 -2.890 37.718 16.978 461 HB3 SER 96 HB3 SER 96 -2.610 38.863 15.672 462 HG SER 96 HG SER 96 -3.225 36.479 15.316 463 H SER 97 H SER 97 -1.185 37.911 19.046 464 HA SER 97 HA SER 97 -0.236 40.614 19.614 465 HB2 SER 97 HB2 SER 97 -2.294 41.364 20.615 466 HB3 SER 97 HB3 SER 97 -2.648 40.831 18.976 467 HG SER 97 HG SER 97 -3.519 39.855 21.303 468 H GLU 98 H GLU 98 -0.459 41.089 22.013 469 HA GLU 98 HA GLU 98 0.891 39.074 23.470 470 HB2 GLU 98 HB2 GLU 98 -0.493 41.591 24.411 471 HB3 GLU 98 HB3 GLU 98 0.495 40.562 25.443 472 HG2 GLU 98 HG2 GLU 98 2.000 42.220 24.726 473 HG3 GLU 98 HG3 GLU 98 2.335 40.865 23.657 474 H SER 99 H SER 99 -2.518 39.977 23.273 475 HA SER 99 HA SER 99 -3.470 38.723 25.580 476 HB2 SER 99 HB2 SER 99 -4.803 40.202 24.058 477 HB3 SER 99 HB3 SER 99 -4.893 38.867 22.915 478 HG SER 99 HG SER 99 -6.439 38.172 24.124 479 H GLU 100 H GLU 100 -2.947 37.389 22.326 480 HA GLU 100 HA GLU 100 -3.977 34.819 22.843 481 HB2 GLU 100 HB2 GLU 100 -1.869 35.737 20.879 482 HB3 GLU 100 HB3 GLU 100 -2.592 34.125 20.880 483 HG2 GLU 100 HG2 GLU 100 -4.841 35.159 20.659 484 HG3 GLU 100 HG3 GLU 100 -4.085 36.745 20.577 485 H MET 101 H MET 101 -0.781 36.209 23.441 486 HA MET 101 HA MET 101 0.562 33.785 24.035 487 HB2 MET 101 HB2 MET 101 1.055 36.601 25.033 488 HB3 MET 101 HB3 MET 101 2.170 35.250 25.239 489 HG2 MET 101 HG2 MET 101 2.195 34.972 22.743 490 HG3 MET 101 HG3 MET 101 1.234 36.445 22.616 491 HE1 MET 101 HE1 MET 101 5.280 35.341 23.248 492 HE2 MET 101 HE2 MET 101 3.972 34.763 24.278 493 HE3 MET 101 HE3 MET 101 5.071 36.006 24.873 494 H MET 102 H MET 102 -1.079 36.153 26.129 495 HA MET 102 HA MET 102 -0.549 34.889 28.579 496 HB2 MET 102 HB2 MET 102 -2.887 36.628 27.765 497 HB3 MET 102 HB3 MET 102 -2.491 36.189 29.428 498 HG2 MET 102 HG2 MET 102 -0.211 37.192 29.076 499 HG3 MET 102 HG3 MET 102 -0.766 37.775 27.506 500 HE1 MET 102 HE1 MET 102 -1.666 39.084 31.695 501 HE2 MET 102 HE2 MET 102 -1.072 37.537 31.096 502 HE3 MET 102 HE3 MET 102 -2.806 37.830 31.193 503 H LYS 103 H LYS 103 -3.146 34.392 26.244 504 HA LYS 103 HA LYS 103 -4.494 32.485 27.995 505 HB2 LYS 103 HB2 LYS 103 -5.157 33.495 25.226 506 HB3 LYS 103 HB3 LYS 103 -6.159 32.381 26.156 507 HG2 LYS 103 HG2 LYS 103 -6.287 34.077 27.982 508 HG3 LYS 103 HG3 LYS 103 -5.388 35.201 26.961 509 HD2 LYS 103 HD2 LYS 103 -7.168 34.976 25.221 510 HD3 LYS 103 HD3 LYS 103 -8.090 33.973 26.341 511 HE2 LYS 103 HE2 LYS 103 -7.779 35.977 27.993 512 HE3 LYS 103 HE3 LYS 103 -7.441 36.903 26.530 513 HZ1 LYS 103 HZ1 LYS 103 -9.911 35.444 27.248 514 HZ2 LYS 103 HZ2 LYS 103 -9.575 35.897 25.646 515 HZ3 LYS 103 HZ3 LYS 103 -9.733 37.084 26.851 516 H ALA 104 H ALA 104 -1.773 32.006 26.436 517 HA ALA 104 HA ALA 104 -2.119 30.066 24.487 518 HB1 ALA 104 HB1 ALA 104 0.137 29.437 24.882 519 HB2 ALA 104 HB2 ALA 104 0.065 29.958 26.566 520 HB3 ALA 104 HB3 ALA 104 0.047 31.156 25.271 521 H ALA 105 H ALA 105 -2.276 27.852 24.471 522 HA ALA 105 HA ALA 105 -3.042 26.560 27.025 523 HB1 ALA 105 HB1 ALA 105 -4.834 27.041 25.138 524 HB2 ALA 105 HB2 ALA 105 -4.838 25.513 26.018 525 HB3 ALA 105 HB3 ALA 105 -4.125 25.601 24.408 526 HA PRO 106 HA PRO 106 -0.121 23.370 26.338 527 HB2 PRO 106 HB2 PRO 106 -2.146 21.207 26.191 528 HB3 PRO 106 HB3 PRO 106 -0.816 21.438 27.341 529 HG2 PRO 106 HG2 PRO 106 -3.363 21.824 28.031 530 HG3 PRO 106 HG3 PRO 106 -2.045 22.804 28.700 531 HD2 PRO 106 HD2 PRO 106 -4.042 23.532 26.590 532 HD3 PRO 106 HD3 PRO 106 -3.329 24.543 27.867 533 H GLY 107 H GLY 107 0.941 22.304 24.691 534 HA2 GLY 107 HA2 GLY 107 0.996 20.957 22.713 535 HA3 GLY 107 HA3 GLY 107 -0.580 21.590 22.271 536 H GLN 108 H GLN 108 0.694 24.377 23.107 537 HA GLN 108 HA GLN 108 1.562 24.960 20.384 538 HB2 GLN 108 HB2 GLN 108 1.027 26.751 22.760 539 HB3 GLN 108 HB3 GLN 108 1.546 27.333 21.176 540 HG2 GLN 108 HG2 GLN 108 -0.433 26.241 20.148 541 HG3 GLN 108 HG3 GLN 108 -0.969 25.742 21.750 542 HE21 GLN 108 HE21 GLN 108 -0.765 28.456 19.536 543 HE22 GLN 108 HE22 GLN 108 -1.591 29.563 20.524 544 H GLN 109 H GLN 109 3.517 26.155 19.938 545 HA GLN 109 HA GLN 109 5.706 25.372 21.778 546 HB2 GLN 109 HB2 GLN 109 5.704 25.720 18.773 547 HB3 GLN 109 HB3 GLN 109 7.133 25.372 19.746 548 HG2 GLN 109 HG2 GLN 109 6.134 23.283 20.527 549 HG3 GLN 109 HG3 GLN 109 4.651 23.636 19.646 550 HE21 GLN 109 HE21 GLN 109 6.169 21.260 19.137 551 HE22 GLN 109 HE22 GLN 109 6.814 21.367 17.572 552 H ILE 110 H ILE 110 7.342 26.789 22.204 553 HA ILE 110 HA ILE 110 7.114 29.543 21.154 554 HB ILE 110 HB ILE 110 7.939 28.681 23.944 555 HG12 ILE 110 HG12 ILE 110 5.539 30.292 23.028 556 HG13 ILE 110 HG13 ILE 110 5.481 28.570 23.400 557 HG21 ILE 110 HG21 ILE 110 9.198 30.641 23.214 558 HG22 ILE 110 HG22 ILE 110 7.977 31.136 24.386 559 HG23 ILE 110 HG23 ILE 110 7.717 31.425 22.665 560 HD11 ILE 110 HD11 ILE 110 6.398 30.707 25.347 561 HD12 ILE 110 HD12 ILE 110 6.179 28.992 25.694 562 HD13 ILE 110 HD13 ILE 110 4.782 30.003 25.324 563 H ILE 111 H ILE 111 9.001 30.420 20.378 564 HA ILE 111 HA ILE 111 11.376 28.651 20.432 565 HB ILE 111 HB ILE 111 10.726 30.860 18.465 566 HG12 ILE 111 HG12 ILE 111 10.580 27.851 18.094 567 HG13 ILE 111 HG13 ILE 111 9.173 28.881 18.355 568 HG21 ILE 111 HG21 ILE 111 13.157 30.288 18.852 569 HG22 ILE 111 HG22 ILE 111 12.600 29.986 17.206 570 HG23 ILE 111 HG23 ILE 111 12.792 28.643 18.332 571 HD11 ILE 111 HD11 ILE 111 9.785 30.190 16.332 572 HD12 ILE 111 HD12 ILE 111 9.480 28.494 15.957 573 HD13 ILE 111 HD13 ILE 111 11.137 29.092 16.054 574 H LEU 112 H LEU 112 13.183 29.320 21.377 575 HA LEU 112 HA LEU 112 13.467 32.185 22.078 576 HB2 LEU 112 HB2 LEU 112 14.527 29.730 23.500 577 HB3 LEU 112 HB3 LEU 112 14.891 31.396 23.950 578 HG LEU 112 HG LEU 112 12.029 30.524 23.679 579 HD11 LEU 112 HD11 LEU 112 12.016 29.881 26.047 580 HD12 LEU 112 HD12 LEU 112 13.751 30.179 26.152 581 HD13 LEU 112 HD13 LEU 112 13.142 28.861 25.151 582 HD21 LEU 112 HD21 LEU 112 11.688 32.314 25.302 583 HD22 LEU 112 HD22 LEU 112 12.669 32.927 23.972 584 HD23 LEU 112 HD23 LEU 112 13.429 32.503 25.506 585 HA PRO 113 HA PRO 113 16.921 31.115 19.219 586 HB2 PRO 113 HB2 PRO 113 17.074 33.476 17.890 587 HB3 PRO 113 HB3 PRO 113 15.890 32.222 17.471 588 HG2 PRO 113 HG2 PRO 113 15.517 34.729 19.017 589 HG3 PRO 113 HG3 PRO 113 14.439 33.950 17.847 590 HD2 PRO 113 HD2 PRO 113 14.125 33.763 20.581 591 HD3 PRO 113 HD3 PRO 113 13.507 32.567 19.424 592 H LEU 114 H LEU 114 18.850 31.136 20.209 593 HA LEU 114 HA LEU 114 19.697 33.528 21.699 594 HB2 LEU 114 HB2 LEU 114 19.761 31.224 22.751 595 HB3 LEU 114 HB3 LEU 114 21.047 30.824 21.614 596 HG LEU 114 HG LEU 114 21.290 33.332 23.246 597 HD11 LEU 114 HD11 LEU 114 22.345 32.083 25.067 598 HD12 LEU 114 HD12 LEU 114 22.024 30.560 24.237 599 HD13 LEU 114 HD13 LEU 114 20.684 31.529 24.852 600 HD21 LEU 114 HD21 LEU 114 23.049 33.118 21.714 601 HD22 LEU 114 HD22 LEU 114 23.101 31.363 21.869 602 HD23 LEU 114 HD23 LEU 114 23.738 32.382 23.160 603 H LYS 115 H LYS 115 21.185 34.869 20.888 604 HA LYS 115 HA LYS 115 22.753 33.978 18.532 605 HB2 LYS 115 HB2 LYS 115 21.657 36.722 19.187 606 HB3 LYS 115 HB3 LYS 115 22.717 36.356 17.825 607 HG2 LYS 115 HG2 LYS 115 21.033 34.709 17.003 608 HG3 LYS 115 HG3 LYS 115 19.957 35.200 18.312 609 HD2 LYS 115 HD2 LYS 115 20.056 37.546 17.456 610 HD3 LYS 115 HD3 LYS 115 21.009 36.970 16.087 611 HE2 LYS 115 HE2 LYS 115 18.344 35.726 16.739 612 HE3 LYS 115 HE3 LYS 115 18.443 37.195 15.769 613 HZ1 LYS 115 HZ1 LYS 115 18.446 35.089 14.471 614 HZ2 LYS 115 HZ2 LYS 115 19.956 34.719 15.158 615 HZ3 LYS 115 HZ3 LYS 115 19.783 36.092 14.172 616 H LYS 116 H LYS 116 24.903 34.519 18.426 617 HA LYS 116 HA LYS 116 26.127 35.439 20.933 618 HB2 LYS 116 HB2 LYS 116 27.436 34.240 18.483 619 HB3 LYS 116 HB3 LYS 116 28.213 34.561 20.031 620 HG2 LYS 116 HG2 LYS 116 25.876 32.671 19.630 621 HG3 LYS 116 HG3 LYS 116 27.560 32.172 19.780 622 HD2 LYS 116 HD2 LYS 116 27.623 33.328 22.019 623 HD3 LYS 116 HD3 LYS 116 25.883 33.583 21.874 624 HE2 LYS 116 HE2 LYS 116 26.106 31.577 23.128 625 HE3 LYS 116 HE3 LYS 116 25.701 31.054 21.493 626 HZ1 LYS 116 HZ1 LYS 116 28.039 30.682 21.059 627 HZ2 LYS 116 HZ2 LYS 116 27.543 29.785 22.412 628 HZ3 LYS 116 HZ3 LYS 116 28.444 31.210 22.619 629 H LEU 117 H LEU 117 24.805 37.307 19.009 630 HA LEU 117 HA LEU 117 27.150 39.001 18.371 631 HB2 LEU 117 HB2 LEU 117 25.709 37.906 16.453 632 HB3 LEU 117 HB3 LEU 117 24.586 39.208 16.831 633 HG LEU 117 HG LEU 117 27.487 39.886 16.478 634 HD11 LEU 117 HD11 LEU 117 26.953 40.244 14.010 635 HD12 LEU 117 HD12 LEU 117 25.539 39.220 14.261 636 HD13 LEU 117 HD13 LEU 117 27.158 38.566 14.512 637 HD21 LEU 117 HD21 LEU 117 24.888 41.277 15.754 638 HD22 LEU 117 HD22 LEU 117 26.500 41.970 15.590 639 HD23 LEU 117 HD23 LEU 117 25.858 41.601 17.190 640 HA PRO 118 HA PRO 118 24.247 41.295 21.128 641 HB2 PRO 118 HB2 PRO 118 25.899 41.898 23.168 642 HB3 PRO 118 HB3 PRO 118 25.169 40.289 23.009 643 HG2 PRO 118 HG2 PRO 118 27.935 41.170 22.440 644 HG3 PRO 118 HG3 PRO 118 27.340 39.615 23.044 645 HD2 PRO 118 HD2 PRO 118 28.057 40.190 20.378 646 HD3 PRO 118 HD3 PRO 118 27.174 38.757 20.943 647 H PHE 119 H PHE 119 25.304 42.446 18.851 648 HA PHE 119 HA PHE 119 26.513 44.983 19.775 649 HB2 PHE 119 HB2 PHE 119 26.459 43.681 17.055 650 HB3 PHE 119 HB3 PHE 119 27.044 45.307 17.348 651 HD1 PHE 119 HD2 PHE 119 29.137 45.692 18.570 652 HD2 PHE 119 HD1 PHE 119 27.717 41.721 17.757 653 HE1 PHE 119 HE2 PHE 119 31.373 44.778 19.130 654 HE2 PHE 119 HE1 PHE 119 29.953 40.807 18.317 655 HZ PHE 119 HZ PHE 119 31.781 42.335 19.004 656 H GLU 120 H GLU 120 25.364 46.796 19.695 657 HA GLU 120 HA GLU 120 22.605 46.811 19.102 658 HB2 GLU 120 HB2 GLU 120 24.560 49.104 19.374 659 HB3 GLU 120 HB3 GLU 120 22.805 49.279 19.326 660 HG2 GLU 120 HG2 GLU 120 22.631 47.779 21.304 661 HG3 GLU 120 HG3 GLU 120 24.385 47.705 21.376 662 H TYR 121 H TYR 121 25.431 47.655 17.157 663 HA TYR 121 HA TYR 121 23.649 48.366 14.906 664 HB2 TYR 121 HB2 TYR 121 26.595 48.898 15.304 665 HB3 TYR 121 HB3 TYR 121 25.655 49.381 13.906 666 HD1 TYR 121 HD2 TYR 121 23.799 51.071 14.190 667 HD2 TYR 121 HD1 TYR 121 26.621 50.178 17.304 668 HE1 TYR 121 HE2 TYR 121 23.196 53.183 15.342 669 HE2 TYR 121 HE1 TYR 121 26.018 52.290 18.456 670 HH TYR 121 HH TYR 121 23.347 54.033 17.776 671 H SER 122 H SER 122 23.509 47.041 13.198 672 HA SER 122 HA SER 122 25.541 44.905 12.896 673 HB2 SER 122 HB2 SER 122 23.774 43.334 12.327 674 HB3 SER 122 HB3 SER 122 23.459 44.024 13.916 675 HG SER 122 HG SER 122 22.099 44.320 11.587 676 H ALA 123 H ALA 123 26.216 44.482 10.868 677 HA ALA 123 HA ALA 123 25.604 46.284 8.740 678 HB1 ALA 123 HB1 ALA 123 27.137 44.994 7.435 679 HB2 ALA 123 HB2 ALA 123 26.965 43.598 8.499 680 HB3 ALA 123 HB3 ALA 123 27.788 45.048 9.074 681 H LEU 124 H LEU 124 24.491 43.045 9.613 682 HA LEU 124 HA LEU 124 23.170 42.626 7.096 683 HB2 LEU 124 HB2 LEU 124 23.087 41.126 9.718 684 HB3 LEU 124 HB3 LEU 124 22.206 40.616 8.277 685 HG LEU 124 HG LEU 124 25.166 41.176 8.166 686 HD11 LEU 124 HD11 LEU 124 24.007 38.423 8.588 687 HD12 LEU 124 HD12 LEU 124 24.478 39.430 9.957 688 HD13 LEU 124 HD13 LEU 124 25.681 38.950 8.762 689 HD21 LEU 124 HD21 LEU 124 23.230 39.493 6.545 690 HD22 LEU 124 HD22 LEU 124 24.972 39.536 6.275 691 HD23 LEU 124 HD23 LEU 124 24.006 40.991 6.033 692 HA PRO 125 HA PRO 125 19.423 44.624 8.576 693 HB2 PRO 125 HB2 PRO 125 17.826 44.304 6.447 694 HB3 PRO 125 HB3 PRO 125 19.283 45.316 6.361 695 HG2 PRO 125 HG2 PRO 125 18.802 42.609 5.275 696 HG3 PRO 125 HG3 PRO 125 19.821 43.917 4.654 697 HD2 PRO 125 HD2 PRO 125 20.686 41.676 6.168 698 HD3 PRO 125 HD3 PRO 125 21.650 43.102 5.727 699 H LEU 126 H LEU 126 19.720 41.310 8.427 700 HA LEU 126 HA LEU 126 17.123 40.298 8.335 701 HB2 LEU 126 HB2 LEU 126 19.424 39.316 10.039 702 HB3 LEU 126 HB3 LEU 126 17.997 38.383 9.591 703 HG LEU 126 HG LEU 126 19.978 39.559 7.617 704 HD11 LEU 126 HD11 LEU 126 20.497 37.081 7.263 705 HD12 LEU 126 HD12 LEU 126 19.640 36.785 8.776 706 HD13 LEU 126 HD13 LEU 126 21.092 37.785 8.765 707 HD21 LEU 126 HD21 LEU 126 17.876 39.350 6.526 708 HD22 LEU 126 HD22 LEU 126 17.501 37.845 7.365 709 HD23 LEU 126 HD23 LEU 126 18.738 37.869 6.109 710 H LEU 127 H LEU 127 18.862 41.819 11.012 711 HA LEU 127 HA LEU 127 16.768 41.212 12.921 712 HB2 LEU 127 HB2 LEU 127 19.204 42.999 13.110 713 HB3 LEU 127 HB3 LEU 127 18.109 42.648 14.447 714 HG LEU 127 HG LEU 127 18.597 40.137 13.791 715 HD11 LEU 127 HD11 LEU 127 19.924 40.293 11.874 716 HD12 LEU 127 HD12 LEU 127 21.142 40.121 13.138 717 HD13 LEU 127 HD13 LEU 127 20.788 41.713 12.467 718 HD21 LEU 127 HD21 LEU 127 20.725 41.802 15.171 719 HD22 LEU 127 HD22 LEU 127 20.380 40.093 15.439 720 HD23 LEU 127 HD23 LEU 127 19.208 41.316 15.928 721 H GLY 128 H GLY 128 15.248 42.616 13.732 722 HA2 GLY 128 HA2 GLY 128 14.869 45.134 12.214 723 HA3 GLY 128 HA3 GLY 128 13.559 44.150 12.857 724 H SER 129 H SER 129 14.012 46.945 13.350 725 HA SER 129 HA SER 129 14.435 46.887 16.283 726 HB2 SER 129 HB2 SER 129 15.086 49.145 14.371 727 HB3 SER 129 HB3 SER 129 15.271 49.188 16.122 728 HG SER 129 HG SER 129 17.178 48.490 15.471 729 H ALA 130 H ALA 130 13.095 48.267 17.517 730 HA ALA 130 HA ALA 130 10.658 49.212 16.116 731 HB1 ALA 130 HB1 ALA 130 10.415 47.122 17.562 732 HB2 ALA 130 HB2 ALA 130 9.322 48.458 17.926 733 HB3 ALA 130 HB3 ALA 130 10.731 48.168 18.946 734 HA PRO 131 HA PRO 131 12.601 52.815 18.287 735 HB2 PRO 131 HB2 PRO 131 11.596 54.719 16.566 736 HB3 PRO 131 HB3 PRO 131 13.144 53.883 16.332 737 HG2 PRO 131 HG2 PRO 131 10.505 53.359 15.069 738 HG3 PRO 131 HG3 PRO 131 12.131 53.302 14.363 739 HD2 PRO 131 HD2 PRO 131 10.791 51.049 15.073 740 HD3 PRO 131 HD3 PRO 131 12.562 51.171 15.166 741 H LEU 132 H LEU 132 11.552 53.473 20.058 742 HA LEU 132 HA LEU 132 8.783 53.283 20.467 743 HB2 LEU 132 HB2 LEU 132 10.768 55.049 21.920 744 HB3 LEU 132 HB3 LEU 132 9.178 54.571 22.512 745 HG LEU 132 HG LEU 132 11.415 52.638 21.832 746 HD11 LEU 132 HD11 LEU 132 11.329 52.313 24.387 747 HD12 LEU 132 HD12 LEU 132 10.465 53.850 24.431 748 HD13 LEU 132 HD13 LEU 132 12.108 53.781 23.795 749 HD21 LEU 132 HD21 LEU 132 8.643 52.324 23.011 750 HD22 LEU 132 HD22 LEU 132 9.888 51.083 23.172 751 HD23 LEU 132 HD23 LEU 132 9.300 51.542 21.574 752 H VAL 133 H VAL 133 10.775 55.990 19.369 753 HA VAL 133 HA VAL 133 8.343 57.658 19.131 754 HB VAL 133 HB VAL 133 11.251 58.507 19.047 755 HG11 VAL 133 HG11 VAL 133 9.581 59.941 17.814 756 HG12 VAL 133 HG12 VAL 133 10.384 60.762 19.152 757 HG13 VAL 133 HG13 VAL 133 8.735 60.171 19.344 758 HG21 VAL 133 HG21 VAL 133 10.435 57.633 21.278 759 HG22 VAL 133 HG22 VAL 133 9.215 58.905 21.259 760 HG23 VAL 133 HG23 VAL 133 10.927 59.327 21.298 761 H ALA 134 H ALA 134 7.652 58.325 17.172 762 HA ALA 134 HA ALA 134 9.374 57.900 14.825 763 HB1 ALA 134 HB1 ALA 134 8.042 55.880 14.937 764 HB2 ALA 134 HB2 ALA 134 7.436 56.882 13.618 765 HB3 ALA 134 HB3 ALA 134 6.565 56.820 15.150 766 H ALA 135 H ALA 135 8.684 59.090 12.945 767 HA ALA 135 HA ALA 135 6.666 61.171 13.401 768 HB1 ALA 135 HB1 ALA 135 9.538 61.736 12.626 769 HB2 ALA 135 HB2 ALA 135 8.753 62.196 14.138 770 HB3 ALA 135 HB3 ALA 135 8.234 62.923 12.618 771 H GLY 136 H GLY 136 6.056 62.294 11.428 772 HA2 GLY 136 HA2 GLY 136 5.746 62.494 9.130 773 HA3 GLY 136 HA3 GLY 136 6.960 61.246 8.882 774 H GLY 137 H GLY 137 4.165 60.841 10.989 775 HA2 GLY 137 HA2 GLY 137 3.366 58.393 9.895 776 HA3 GLY 137 HA3 GLY 137 2.347 59.435 10.881 777 H VAL 138 H VAL 138 2.440 61.688 9.030 778 HA VAL 138 HA VAL 138 0.166 61.075 7.481 779 HB VAL 138 HB VAL 138 0.511 63.301 6.473 780 HG11 VAL 138 HG11 VAL 138 -0.587 63.258 8.610 781 HG12 VAL 138 HG12 VAL 138 0.593 64.567 8.675 782 HG13 VAL 138 HG13 VAL 138 0.942 63.026 9.458 783 HG21 VAL 138 HG21 VAL 138 3.126 63.199 8.012 784 HG22 VAL 138 HG22 VAL 138 2.477 64.635 7.219 785 HG23 VAL 138 HG23 VAL 138 2.955 63.236 6.257 786 H ALA 139 H ALA 139 3.604 61.048 6.690 787 HA ALA 139 HA ALA 139 3.452 61.062 3.901 788 HB1 ALA 139 HB1 ALA 139 5.615 59.741 4.033 789 HB2 ALA 139 HB2 ALA 139 5.401 59.727 5.783 790 HB3 ALA 139 HB3 ALA 139 5.597 61.259 4.931 791 H GLY 140 H GLY 140 3.196 59.496 2.351 792 HA2 GLY 140 HA2 GLY 140 2.179 56.869 3.288 793 HA3 GLY 140 HA3 GLY 140 1.533 57.725 1.890 794 H HIS 141 H HIS 141 4.883 57.102 2.926 795 HA HIS 141 HA HIS 141 5.936 56.689 0.385 796 HB2 HIS 141 HB2 HIS 141 6.826 55.479 3.003 797 HB3 HIS 141 HB3 HIS 141 7.782 55.518 1.534 798 HD1 HIS 141 HD1 HIS 141 8.220 58.096 0.611 799 HD2 HIS 141 HD2 HIS 141 7.250 57.645 4.640 800 HE1 HIS 141 HE1 HIS 141 8.942 60.231 1.764 801 H THR 142 H THR 142 4.399 54.380 2.576 802 HA THR 142 HA THR 142 5.108 51.998 1.295 803 HB THR 142 HB THR 142 4.009 52.024 3.475 804 HG1 THR 142 HG1 THR 142 2.963 50.254 3.022 805 HG21 THR 142 HG21 THR 142 1.496 52.850 2.001 806 HG22 THR 142 HG22 THR 142 2.503 53.972 2.916 807 HG23 THR 142 HG23 THR 142 1.694 52.640 3.741 808 H ASN 143 H ASN 143 4.360 50.904 -0.450 809 HA ASN 143 HA ASN 143 2.005 51.930 -1.873 810 HB2 ASN 143 HB2 ASN 143 3.182 51.929 -4.009 811 HB3 ASN 143 HB3 ASN 143 3.971 53.029 -2.883 812 HD21 ASN 143 HD21 ASN 143 5.364 51.900 -5.127 813 HD22 ASN 143 HD22 ASN 143 6.565 50.858 -4.532 814 H GLY 144 H GLY 144 1.537 50.403 -3.812 815 HA2 GLY 144 HA2 GLY 144 2.269 47.621 -3.209 816 HA3 GLY 144 HA3 GLY 144 0.562 48.051 -3.228 817 H SER 145 H SER 145 1.365 46.131 -4.947 818 HA SER 145 HA SER 145 0.878 47.388 -7.530 819 HB2 SER 145 HB2 SER 145 2.782 46.414 -8.636 820 HB3 SER 145 HB3 SER 145 3.375 47.327 -7.253 821 HG SER 145 HG SER 145 4.257 45.452 -6.862 822 H GLY 146 H GLY 146 0.630 45.644 -9.255 823 HA2 GLY 146 HA2 GLY 146 -0.121 43.561 -9.973 824 HA3 GLY 146 HA3 GLY 146 0.001 42.975 -8.318 825 H SER 147 H SER 147 -1.784 45.835 -9.394 826 HA SER 147 HA SER 147 -4.116 45.240 -7.965 827 HB2 SER 147 HB2 SER 147 -3.520 47.478 -8.906 828 HB3 SER 147 HB3 SER 147 -3.928 46.870 -10.506 829 HG SER 147 HG SER 147 -5.561 47.397 -8.354 830 H GLU 148 H GLU 148 -3.188 44.414 -11.278 831 HA GLU 148 HA GLU 148 -5.673 43.449 -12.173 832 HB2 GLU 148 HB2 GLU 148 -2.870 42.619 -12.948 833 HB3 GLU 148 HB3 GLU 148 -4.331 42.179 -13.835 834 HG2 GLU 148 HG2 GLU 148 -4.850 44.596 -14.120 835 HG3 GLU 148 HG3 GLU 148 -3.339 44.996 -13.313 836 H ASN 149 H ASN 149 -3.180 41.934 -10.199 837 HA ASN 149 HA ASN 149 -3.807 39.250 -10.470 838 HB2 ASN 149 HB2 ASN 149 -2.949 40.751 -7.991 839 HB3 ASN 149 HB3 ASN 149 -2.937 38.997 -8.153 840 HD21 ASN 149 HD21 ASN 149 -0.548 40.626 -7.729 841 HD22 ASN 149 HD22 ASN 149 0.435 40.434 -9.100 842 H LEU 150 H LEU 150 -5.544 41.730 -8.661 843 HA LEU 150 HA LEU 150 -7.205 39.824 -7.261 844 HB2 LEU 150 HB2 LEU 150 -7.558 42.811 -7.611 845 HB3 LEU 150 HB3 LEU 150 -8.411 41.791 -6.453 846 HG LEU 150 HG LEU 150 -5.402 42.175 -6.526 847 HD11 LEU 150 HD11 LEU 150 -6.372 44.238 -5.798 848 HD12 LEU 150 HD12 LEU 150 -5.890 43.386 -4.332 849 HD13 LEU 150 HD13 LEU 150 -7.583 43.403 -4.826 850 HD21 LEU 150 HD21 LEU 150 -5.729 41.158 -4.161 851 HD22 LEU 150 HD22 LEU 150 -5.825 40.064 -5.540 852 HD23 LEU 150 HD23 LEU 150 -7.302 40.629 -4.757 853 H TYR 151 H TYR 151 -9.086 38.989 -7.902 854 HA TYR 151 HA TYR 151 -9.980 39.259 -10.582 855 HB2 TYR 151 HB2 TYR 151 -11.361 38.069 -8.177 856 HB3 TYR 151 HB3 TYR 151 -11.886 37.877 -9.839 857 HD1 TYR 151 HD2 TYR 151 -10.416 36.629 -11.464 858 HD2 TYR 151 HD1 TYR 151 -9.624 36.743 -7.244 859 HE1 TYR 151 HE2 TYR 151 -8.924 34.661 -11.692 860 HE2 TYR 151 HE1 TYR 151 -8.132 34.774 -7.471 861 HH TYR 151 HH TYR 151 -8.118 32.770 -9.855 862 H PHE 152 H PHE 152 -10.956 40.802 -7.570 863 HA PHE 152 HA PHE 152 -13.035 42.307 -9.059 864 HB2 PHE 152 HB2 PHE 152 -14.264 42.496 -6.981 865 HB3 PHE 152 HB3 PHE 152 -13.981 40.808 -7.362 866 HD1 PHE 152 HD2 PHE 152 -12.298 39.501 -6.071 867 HD2 PHE 152 HD1 PHE 152 -13.343 43.534 -5.027 868 HE1 PHE 152 HE2 PHE 152 -11.278 39.186 -3.833 869 HE2 PHE 152 HE1 PHE 152 -12.323 43.219 -2.788 870 HZ PHE 152 HZ PHE 152 -11.291 41.045 -2.191 871 H GLN 153 H GLN 153 -13.387 44.502 -8.355 872 HA GLN 153 HA GLN 153 -10.863 45.809 -7.673 873 HB2 GLN 153 HB2 GLN 153 -13.514 46.909 -8.636 874 HB3 GLN 153 HB3 GLN 153 -12.078 47.885 -8.322 875 HG2 GLN 153 HG2 GLN 153 -10.819 46.639 -10.004 876 HG3 GLN 153 HG3 GLN 153 -12.196 45.577 -10.281 877 HE21 GLN 153 HE21 GLN 153 -11.056 47.132 -12.399 878 HE22 GLN 153 HE22 GLN 153 -12.194 48.300 -12.873 Start of MODEL 15 1 H1 MET 39 HT1 MET 39 52.969 19.170 1.310 2 H2 MET 39 HT2 MET 39 54.128 18.010 1.750 3 H3 MET 39 HT3 MET 39 53.678 19.223 2.850 4 HA MET 39 HA MET 39 52.273 16.775 2.088 5 HB2 MET 39 HB2 MET 39 52.531 18.402 4.636 6 HB3 MET 39 HB3 MET 39 51.695 16.854 4.504 7 HG2 MET 39 HG2 MET 39 53.844 15.846 3.664 8 HG3 MET 39 HG3 MET 39 54.642 17.376 4.029 9 HE1 MET 39 HE1 MET 39 51.782 15.317 6.138 10 HE2 MET 39 HE2 MET 39 52.969 14.196 6.800 11 HE3 MET 39 HE3 MET 39 52.814 14.377 5.054 12 H ASN 40 H ASN 40 50.657 17.443 0.675 13 HA ASN 40 HA ASN 40 48.798 19.531 1.623 14 HB2 ASN 40 HB2 ASN 40 49.152 18.272 -1.106 15 HB3 ASN 40 HB3 ASN 40 47.937 19.485 -0.708 16 HD21 ASN 40 HD21 ASN 40 50.073 19.877 -2.662 17 HD22 ASN 40 HD22 ASN 40 51.051 21.137 -2.083 18 H GLY 41 H GLY 41 46.721 19.064 2.126 19 HA2 GLY 41 HA2 GLY 41 45.068 17.082 1.240 20 HA3 GLY 41 HA3 GLY 41 45.993 16.303 2.521 21 H GLU 42 H GLU 42 44.863 16.238 4.348 22 HA GLU 42 HA GLU 42 42.589 17.769 4.919 23 HB2 GLU 42 HB2 GLU 42 44.470 16.357 6.827 24 HB3 GLU 42 HB3 GLU 42 42.857 16.940 7.239 25 HG2 GLU 42 HG2 GLU 42 43.481 14.913 5.073 26 HG3 GLU 42 HG3 GLU 42 42.848 14.527 6.668 27 H ASN 43 H ASN 43 42.231 19.642 6.015 28 HA ASN 43 HA ASN 43 44.612 21.190 6.872 29 HB2 ASN 43 HB2 ASN 43 43.338 22.003 4.808 30 HB3 ASN 43 HB3 ASN 43 42.010 22.376 5.907 31 HD21 ASN 43 HD21 ASN 43 42.313 24.706 5.471 32 HD22 ASN 43 HD22 ASN 43 43.613 25.546 6.169 33 H TYR 44 H TYR 44 44.632 20.964 9.047 34 HA TYR 44 HA TYR 44 42.306 20.678 10.644 35 HB2 TYR 44 HB2 TYR 44 43.751 20.796 12.527 36 HB3 TYR 44 HB3 TYR 44 44.568 19.887 11.273 37 HD1 TYR 44 HD2 TYR 44 46.477 20.901 10.036 38 HD2 TYR 44 HD1 TYR 44 44.594 22.882 13.350 39 HE1 TYR 44 HE2 TYR 44 48.438 22.404 10.252 40 HE2 TYR 44 HE1 TYR 44 46.557 24.384 13.569 41 HH TYR 44 HH TYR 44 49.125 24.367 11.247 42 H PHE 45 H PHE 45 44.047 23.512 9.529 43 HA PHE 45 HA PHE 45 43.205 25.423 11.370 44 HB2 PHE 45 HB2 PHE 45 43.657 25.615 8.398 45 HB3 PHE 45 HB3 PHE 45 43.290 27.009 9.394 46 HD1 PHE 45 HD2 PHE 45 44.905 27.787 11.106 47 HD2 PHE 45 HD1 PHE 45 45.821 24.560 8.422 48 HE1 PHE 45 HE2 PHE 45 47.313 28.017 11.651 49 HE2 PHE 45 HE1 PHE 45 48.229 24.791 8.966 50 HZ PHE 45 HZ PHE 45 48.975 26.519 10.580 51 H LYS 46 H LYS 46 41.461 24.019 8.630 52 HA LYS 46 HA LYS 46 39.297 25.788 8.521 53 HB2 LYS 46 HB2 LYS 46 39.777 23.993 6.859 54 HB3 LYS 46 HB3 LYS 46 39.216 22.802 8.033 55 HG2 LYS 46 HG2 LYS 46 37.018 23.965 8.125 56 HG3 LYS 46 HG3 LYS 46 37.581 25.079 6.878 57 HD2 LYS 46 HD2 LYS 46 37.994 23.106 5.383 58 HD3 LYS 46 HD3 LYS 46 37.249 22.079 6.609 59 HE2 LYS 46 HE2 LYS 46 35.145 23.251 6.414 60 HE3 LYS 46 HE3 LYS 46 35.866 24.465 5.355 61 HZ1 LYS 46 HZ1 LYS 46 36.199 22.844 3.671 62 HZ2 LYS 46 HZ2 LYS 46 34.587 22.702 4.188 63 HZ3 LYS 46 HZ3 LYS 46 35.749 21.574 4.702 64 H LEU 47 H LEU 47 39.824 22.933 10.561 65 HA LEU 47 HA LEU 47 37.294 22.802 11.761 66 HB2 LEU 47 HB2 LEU 47 39.086 21.083 11.988 67 HB3 LEU 47 HB3 LEU 47 39.956 22.179 13.061 68 HG LEU 47 HG LEU 47 37.865 22.253 14.502 69 HD11 LEU 47 HD11 LEU 47 36.150 21.488 13.069 70 HD12 LEU 47 HD12 LEU 47 36.437 20.119 14.143 71 HD13 LEU 47 HD13 LEU 47 37.108 20.117 12.512 72 HD21 LEU 47 HD21 LEU 47 39.262 19.592 14.080 73 HD22 LEU 47 HD22 LEU 47 38.319 20.016 15.509 74 HD23 LEU 47 HD23 LEU 47 39.801 20.896 15.137 75 H GLY 48 H GLY 48 40.142 24.749 12.578 76 HA2 GLY 48 HA2 GLY 48 40.330 26.689 13.800 77 HA3 GLY 48 HA3 GLY 48 38.575 26.811 13.750 78 H SER 49 H SER 49 37.605 26.745 15.666 79 HA SER 49 HA SER 49 39.047 26.300 18.061 80 HB2 SER 49 HB2 SER 49 37.004 26.761 19.190 81 HB3 SER 49 HB3 SER 49 36.990 27.760 17.740 82 HG SER 49 HG SER 49 35.638 26.267 16.831 83 H ASP 50 H ASP 50 38.774 24.690 19.647 84 HA ASP 50 HA ASP 50 37.866 22.075 18.597 85 HB2 ASP 50 HB2 ASP 50 39.940 22.716 20.699 86 HB3 ASP 50 HB3 ASP 50 39.427 21.091 20.252 87 H SER 51 H SER 51 36.320 24.263 20.184 88 HA SER 51 HA SER 51 35.562 22.582 22.504 89 HB2 SER 51 HB2 SER 51 34.796 24.625 23.573 90 HB3 SER 51 HB3 SER 51 36.467 24.824 23.057 91 HG SER 51 HG SER 51 35.627 26.491 22.095 92 H LYS 52 H LYS 52 33.562 21.808 22.631 93 HA LYS 52 HA LYS 52 31.715 21.957 20.507 94 HB2 LYS 52 HB2 LYS 52 31.320 21.153 23.396 95 HB3 LYS 52 HB3 LYS 52 30.141 20.887 22.111 96 HG2 LYS 52 HG2 LYS 52 31.858 19.584 20.855 97 HG3 LYS 52 HG3 LYS 52 32.959 19.773 22.220 98 HD2 LYS 52 HD2 LYS 52 31.262 18.671 23.686 99 HD3 LYS 52 HD3 LYS 52 30.266 18.383 22.260 100 HE2 LYS 52 HE2 LYS 52 31.774 16.848 21.350 101 HE3 LYS 52 HE3 LYS 52 33.133 17.484 22.277 102 HZ1 LYS 52 HZ1 LYS 52 30.922 16.413 23.826 103 HZ2 LYS 52 HZ2 LYS 52 32.597 16.270 24.074 104 HZ3 LYS 52 HZ3 LYS 52 31.816 15.275 22.940 105 H LEU 53 H LEU 53 32.077 23.887 23.427 106 HA LEU 53 HA LEU 53 29.556 25.030 23.638 107 HB2 LEU 53 HB2 LEU 53 32.224 26.370 24.137 108 HB3 LEU 53 HB3 LEU 53 30.667 26.903 24.768 109 HG LEU 53 HG LEU 53 31.927 24.203 25.339 110 HD11 LEU 53 HD11 LEU 53 33.171 26.058 26.389 111 HD12 LEU 53 HD12 LEU 53 32.302 25.120 27.602 112 HD13 LEU 53 HD13 LEU 53 31.669 26.680 27.072 113 HD21 LEU 53 HD21 LEU 53 30.125 24.291 27.183 114 HD22 LEU 53 HD22 LEU 53 29.569 23.978 25.539 115 HD23 LEU 53 HD23 LEU 53 29.395 25.588 26.237 116 H LEU 54 H LEU 54 32.099 25.739 21.311 117 HA LEU 54 HA LEU 54 31.222 28.294 20.500 118 HB2 LEU 54 HB2 LEU 54 33.425 27.254 19.921 119 HB3 LEU 54 HB3 LEU 54 32.580 26.203 18.785 120 HG LEU 54 HG LEU 54 31.648 28.309 17.710 121 HD11 LEU 54 HD11 LEU 54 33.234 30.322 18.171 122 HD12 LEU 54 HD12 LEU 54 33.599 29.486 19.681 123 HD13 LEU 54 HD13 LEU 54 31.946 29.991 19.330 124 HD21 LEU 54 HD21 LEU 54 33.639 26.956 16.882 125 HD22 LEU 54 HD22 LEU 54 34.672 28.141 17.684 126 HD23 LEU 54 HD23 LEU 54 33.613 28.642 16.366 127 H THR 55 H THR 55 29.451 28.900 19.476 128 HA THR 55 HA THR 55 27.407 27.104 18.733 129 HB THR 55 HB THR 55 27.720 29.988 17.877 130 HG1 THR 55 HG1 THR 55 26.747 28.823 20.203 131 HG21 THR 55 HG21 THR 55 25.947 28.831 16.683 132 HG22 THR 55 HG22 THR 55 25.219 29.887 17.895 133 HG23 THR 55 HG23 THR 55 25.329 28.152 18.189 134 H HIS 56 H HIS 56 29.942 28.673 16.853 135 HA HIS 56 HA HIS 56 28.946 28.410 14.283 136 HB2 HIS 56 HB2 HIS 56 31.790 28.106 15.245 137 HB3 HIS 56 HB3 HIS 56 31.323 28.307 13.566 138 HD1 HIS 56 HD1 HIS 56 31.705 30.160 16.789 139 HD2 HIS 56 HD2 HIS 56 30.480 30.960 12.885 140 HE1 HIS 56 HE1 HIS 56 31.593 32.679 16.577 141 H ASN 57 H ASN 57 30.505 25.959 16.303 142 HA ASN 57 HA ASN 57 31.036 24.030 14.365 143 HB2 ASN 57 HB2 ASN 57 30.225 23.689 17.256 144 HB3 ASN 57 HB3 ASN 57 30.831 22.384 16.240 145 HD21 ASN 57 HD21 ASN 57 32.222 23.262 18.601 146 HD22 ASN 57 HD22 ASN 57 33.695 23.953 18.114 147 H SER 58 H SER 58 27.999 24.772 16.019 148 HA SER 58 HA SER 58 26.658 22.681 14.408 149 HB2 SER 58 HB2 SER 58 25.727 24.063 16.935 150 HB3 SER 58 HB3 SER 58 24.847 22.815 16.059 151 HG SER 58 HG SER 58 26.482 21.423 16.567 152 H TYR 59 H TYR 59 25.126 23.219 12.979 153 HA TYR 59 HA TYR 59 24.853 25.894 12.081 154 HB2 TYR 59 HB2 TYR 59 24.572 23.912 10.638 155 HB3 TYR 59 HB3 TYR 59 23.110 23.495 11.510 156 HD1 TYR 59 HD1 TYR 59 24.666 25.936 9.203 157 HD2 TYR 59 HD2 TYR 59 21.029 24.625 11.075 158 HE1 TYR 59 HE1 TYR 59 23.355 27.366 7.658 159 HE2 TYR 59 HE2 TYR 59 19.718 26.055 9.531 160 HH TYR 59 HH TYR 59 21.102 28.415 7.621 161 H GLN 60 H GLN 60 22.845 23.826 14.129 162 HA GLN 60 HA GLN 60 20.699 25.781 14.227 163 HB2 GLN 60 HB2 GLN 60 20.256 23.331 14.233 164 HB3 GLN 60 HB3 GLN 60 21.048 23.222 15.804 165 HG2 GLN 60 HG2 GLN 60 19.409 24.775 16.763 166 HG3 GLN 60 HG3 GLN 60 18.631 24.945 15.193 167 HE21 GLN 60 HE21 GLN 60 17.002 24.070 17.221 168 HE22 GLN 60 HE22 GLN 60 16.676 22.412 17.065 169 H ASN 61 H ASN 61 20.588 27.398 15.629 170 HA ASN 61 HA ASN 61 21.999 27.167 18.216 171 HB2 ASN 61 HB2 ASN 61 22.725 29.478 18.040 172 HB3 ASN 61 HB3 ASN 61 23.316 28.561 16.658 173 HD21 ASN 61 HD21 ASN 61 23.036 31.409 16.551 174 HD22 ASN 61 HD22 ASN 61 21.803 31.781 15.447 175 H ARG 62 H ARG 62 19.173 26.741 17.588 176 HA ARG 62 HA ARG 62 18.003 28.941 19.197 177 HB2 ARG 62 HB2 ARG 62 16.701 27.335 16.983 178 HB3 ARG 62 HB3 ARG 62 15.878 28.518 17.999 179 HG2 ARG 62 HG2 ARG 62 17.478 30.260 17.215 180 HG3 ARG 62 HG3 ARG 62 18.203 29.070 16.133 181 HD2 ARG 62 HD2 ARG 62 15.923 28.733 15.110 182 HD3 ARG 62 HD3 ARG 62 15.355 30.096 16.072 183 HE ARG 62 HE ARG 62 17.440 31.203 14.826 184 HH11 ARG 62 HH11 ARG 62 14.907 29.161 13.504 185 HH12 ARG 62 HH12 ARG 62 15.010 29.882 11.933 186 HH21 ARG 62 HH21 ARG 62 17.526 32.091 12.781 187 HH22 ARG 62 HH22 ARG 62 16.474 31.519 11.531 188 H LEU 63 H LEU 63 16.594 28.356 20.839 189 HA LEU 63 HA LEU 63 16.584 25.473 21.516 190 HB2 LEU 63 HB2 LEU 63 16.174 27.865 23.326 191 HB3 LEU 63 HB3 LEU 63 16.258 26.179 23.830 192 HG LEU 63 HG LEU 63 18.495 27.675 22.430 193 HD11 LEU 63 HD11 LEU 63 18.068 26.926 25.337 194 HD12 LEU 63 HD12 LEU 63 18.209 28.553 24.672 195 HD13 LEU 63 HD13 LEU 63 19.608 27.479 24.679 196 HD21 LEU 63 HD21 LEU 63 18.218 24.889 23.580 197 HD22 LEU 63 HD22 LEU 63 19.791 25.635 23.296 198 HD23 LEU 63 HD23 LEU 63 18.697 25.345 21.944 199 H PHE 64 H PHE 64 14.713 24.407 21.467 200 HA PHE 64 HA PHE 64 12.217 25.923 21.172 201 HB2 PHE 64 HB2 PHE 64 12.854 22.996 20.804 202 HB3 PHE 64 HB3 PHE 64 11.251 23.684 20.629 203 HD1 PHE 64 HD2 PHE 64 10.779 25.292 18.776 204 HD2 PHE 64 HD1 PHE 64 14.520 23.206 19.099 205 HE1 PHE 64 HE2 PHE 64 11.284 25.831 16.409 206 HE2 PHE 64 HE1 PHE 64 15.024 23.745 16.731 207 HZ PHE 64 HZ PHE 64 13.407 25.057 15.387 208 H TYR 65 H TYR 65 10.782 26.123 22.789 209 HA TYR 65 HA TYR 65 10.903 24.185 25.033 210 HB2 TYR 65 HB2 TYR 65 11.661 26.550 25.563 211 HB3 TYR 65 HB3 TYR 65 10.017 27.063 25.229 212 HD1 TYR 65 HD2 TYR 65 12.181 25.097 27.485 213 HD2 TYR 65 HD1 TYR 65 8.225 26.626 26.801 214 HE1 TYR 65 HE2 TYR 65 11.561 24.534 29.818 215 HE2 TYR 65 HE1 TYR 65 7.605 26.062 29.136 216 HH TYR 65 HH TYR 65 8.331 25.135 31.047 217 H THR 66 H THR 66 8.933 23.385 25.762 218 HA THR 66 HA THR 66 6.613 24.008 24.022 219 HB THR 66 HB THR 66 7.168 21.437 25.516 220 HG1 THR 66 HG1 THR 66 7.647 22.213 22.895 221 HG21 THR 66 HG21 THR 66 5.210 22.068 23.292 222 HG22 THR 66 HG22 THR 66 4.777 22.013 25.000 223 HG23 THR 66 HG23 THR 66 5.344 20.555 24.187 224 H LEU 67 H LEU 67 4.653 24.410 24.914 225 HA LEU 67 HA LEU 67 4.569 25.088 27.734 226 HB2 LEU 67 HB2 LEU 67 2.536 25.280 25.499 227 HB3 LEU 67 HB3 LEU 67 2.238 25.841 27.140 228 HG LEU 67 HG LEU 67 4.548 26.796 25.426 229 HD11 LEU 67 HD11 LEU 67 2.708 27.692 24.300 230 HD12 LEU 67 HD12 LEU 67 3.038 28.949 25.492 231 HD13 LEU 67 HD13 LEU 67 1.734 27.794 25.768 232 HD21 LEU 67 HD21 LEU 67 5.130 27.227 27.654 233 HD22 LEU 67 HD22 LEU 67 3.454 27.473 28.145 234 HD23 LEU 67 HD23 LEU 67 4.289 28.712 27.208 235 H LYS 68 H LYS 68 4.045 23.657 29.248 236 HA LYS 68 HA LYS 68 2.412 21.306 28.505 237 HB2 LYS 68 HB2 LYS 68 4.378 21.716 30.769 238 HB3 LYS 68 HB3 LYS 68 3.394 20.268 30.546 239 HG2 LYS 68 HG2 LYS 68 4.425 19.844 28.381 240 HG3 LYS 68 HG3 LYS 68 5.336 21.351 28.486 241 HD2 LYS 68 HD2 LYS 68 6.819 19.560 29.138 242 HD3 LYS 68 HD3 LYS 68 6.404 20.466 30.593 243 HE2 LYS 68 HE2 LYS 68 5.003 18.788 31.404 244 HE3 LYS 68 HE3 LYS 68 4.724 18.108 29.802 245 HZ1 LYS 68 HZ1 LYS 68 7.286 17.998 31.300 246 HZ2 LYS 68 HZ2 LYS 68 7.002 17.328 29.765 247 HZ3 LYS 68 HZ3 LYS 68 6.192 16.713 31.125 248 H THR 69 H THR 69 0.794 20.580 29.988 249 HA THR 69 HA THR 69 -0.948 22.555 30.884 250 HB THR 69 HB THR 69 -1.674 20.264 30.461 251 HG1 THR 69 HG1 THR 69 -2.877 20.076 32.374 252 HG21 THR 69 HG21 THR 69 -0.220 19.523 33.012 253 HG22 THR 69 HG22 THR 69 0.418 19.211 31.398 254 HG23 THR 69 HG23 THR 69 -1.078 18.437 31.918 255 H GLY 70 H GLY 70 -1.167 23.723 32.691 256 HA2 GLY 70 HA2 GLY 70 -1.053 24.006 35.068 257 HA3 GLY 70 HA3 GLY 70 0.356 22.956 35.095 258 H GLU 71 H GLU 71 1.403 24.549 32.649 259 HA GLU 71 HA GLU 71 2.541 26.753 34.255 260 HB2 GLU 71 HB2 GLU 71 4.108 25.008 33.368 261 HB3 GLU 71 HB3 GLU 71 3.655 25.503 31.737 262 HG2 GLU 71 HG2 GLU 71 4.364 27.828 32.282 263 HG3 GLU 71 HG3 GLU 71 4.903 27.268 33.858 264 H THR 72 H THR 72 2.573 28.825 33.474 265 HA THR 72 HA THR 72 1.045 29.337 30.985 266 HB THR 72 HB THR 72 0.414 31.482 31.938 267 HG1 THR 72 HG1 THR 72 2.166 30.705 33.919 268 HG21 THR 72 HG21 THR 72 -0.791 29.271 32.563 269 HG22 THR 72 HG22 THR 72 -1.146 30.709 33.518 270 HG23 THR 72 HG23 THR 72 -0.044 29.486 34.146 271 H VAL 73 H VAL 73 1.706 31.332 29.824 272 HA VAL 73 HA VAL 73 4.413 31.224 29.110 273 HB VAL 73 HB VAL 73 2.475 33.521 28.721 274 HG11 VAL 73 HG11 VAL 73 4.782 34.190 28.269 275 HG12 VAL 73 HG12 VAL 73 3.914 34.012 26.744 276 HG13 VAL 73 HG13 VAL 73 5.029 32.753 27.275 277 HG21 VAL 73 HG21 VAL 73 1.615 31.367 27.862 278 HG22 VAL 73 HG22 VAL 73 3.112 31.132 26.961 279 HG23 VAL 73 HG23 VAL 73 2.029 32.459 26.540 280 H ALA 74 H ALA 74 2.693 33.435 31.296 281 HA ALA 74 HA ALA 74 4.835 35.199 31.771 282 HB1 ALA 74 HB1 ALA 74 3.481 36.171 33.345 283 HB2 ALA 74 HB2 ALA 74 2.920 34.623 33.981 284 HB3 ALA 74 HB3 ALA 74 2.262 35.246 32.468 285 H ASP 75 H ASP 75 3.890 32.181 33.396 286 HA ASP 75 HA ASP 75 5.686 32.373 35.561 287 HB2 ASP 75 HB2 ASP 75 4.514 29.952 34.181 288 HB3 ASP 75 HB3 ASP 75 5.439 29.879 35.676 289 H LEU 76 H LEU 76 6.038 30.878 32.355 290 HA LEU 76 HA LEU 76 8.597 29.786 32.730 291 HB2 LEU 76 HB2 LEU 76 7.120 29.287 30.795 292 HB3 LEU 76 HB3 LEU 76 7.429 30.906 30.169 293 HG LEU 76 HG LEU 76 9.907 30.327 30.218 294 HD11 LEU 76 HD11 LEU 76 8.722 27.588 30.738 295 HD12 LEU 76 HD12 LEU 76 9.884 28.452 31.743 296 HD13 LEU 76 HD13 LEU 76 10.368 27.845 30.160 297 HD21 LEU 76 HD21 LEU 76 8.785 30.329 28.102 298 HD22 LEU 76 HD22 LEU 76 7.958 28.813 28.464 299 HD23 LEU 76 HD23 LEU 76 9.697 28.820 28.170 300 H SER 77 H SER 77 7.587 32.992 31.605 301 HA SER 77 HA SER 77 10.125 33.982 30.918 302 HB2 SER 77 HB2 SER 77 7.923 35.055 30.370 303 HB3 SER 77 HB3 SER 77 7.814 35.572 32.048 304 HG SER 77 HG SER 77 9.181 36.656 30.076 305 H LYS 78 H LYS 78 8.386 34.030 34.007 306 HA LYS 78 HA LYS 78 10.194 35.675 35.407 307 HB2 LYS 78 HB2 LYS 78 7.903 35.077 36.185 308 HB3 LYS 78 HB3 LYS 78 8.485 33.450 36.542 309 HG2 LYS 78 HG2 LYS 78 10.188 34.425 38.074 310 HG3 LYS 78 HG3 LYS 78 9.512 36.026 37.768 311 HD2 LYS 78 HD2 LYS 78 7.297 35.184 38.587 312 HD3 LYS 78 HD3 LYS 78 8.085 33.671 39.032 313 HE2 LYS 78 HE2 LYS 78 7.994 35.084 41.000 314 HE3 LYS 78 HE3 LYS 78 9.671 34.988 40.464 315 HZ1 LYS 78 HZ1 LYS 78 8.193 37.122 39.234 316 HZ2 LYS 78 HZ2 LYS 78 9.716 37.148 39.987 317 HZ3 LYS 78 HZ3 LYS 78 8.302 37.275 40.919 318 H SER 79 H SER 79 10.025 32.139 35.103 319 HA SER 79 HA SER 79 12.121 31.540 36.886 320 HB2 SER 79 HB2 SER 79 10.463 29.892 36.001 321 HB3 SER 79 HB3 SER 79 11.291 29.953 34.449 322 HG SER 79 HG SER 79 12.180 28.324 35.623 323 H GLN 80 H GLN 80 12.135 32.085 33.381 324 HA GLN 80 HA GLN 80 14.963 31.594 33.149 325 HB2 GLN 80 HB2 GLN 80 13.041 32.814 31.164 326 HB3 GLN 80 HB3 GLN 80 14.667 32.233 30.811 327 HG2 GLN 80 HG2 GLN 80 12.362 30.547 31.831 328 HG3 GLN 80 HG3 GLN 80 12.994 30.544 30.188 329 HE21 GLN 80 HE21 GLN 80 13.016 28.597 32.760 330 HE22 GLN 80 HE22 GLN 80 14.593 27.974 32.686 331 H ASP 81 H ASP 81 13.382 34.249 34.410 332 HA ASP 81 HA ASP 81 14.005 36.424 34.804 333 HB2 ASP 81 HB2 ASP 81 16.088 35.226 35.550 334 HB3 ASP 81 HB3 ASP 81 16.756 35.508 33.945 335 H ILE 82 H ILE 82 12.879 35.888 32.312 336 HA ILE 82 HA ILE 82 14.340 37.729 30.508 337 HB ILE 82 HB ILE 82 12.279 35.625 29.787 338 HG12 ILE 82 HG12 ILE 82 15.272 35.643 29.291 339 HG13 ILE 82 HG13 ILE 82 14.491 34.715 30.572 340 HG21 ILE 82 HG21 ILE 82 12.935 36.135 27.478 341 HG22 ILE 82 HG22 ILE 82 14.085 37.341 28.054 342 HG23 ILE 82 HG23 ILE 82 12.355 37.598 28.275 343 HD11 ILE 82 HD11 ILE 82 13.076 33.609 28.807 344 HD12 ILE 82 HD12 ILE 82 14.796 33.243 28.678 345 HD13 ILE 82 HD13 ILE 82 14.059 34.418 27.588 346 H ASN 83 H ASN 83 13.183 39.407 29.534 347 HA ASN 83 HA ASN 83 10.891 40.322 31.059 348 HB2 ASN 83 HB2 ASN 83 12.316 41.572 28.699 349 HB3 ASN 83 HB3 ASN 83 11.100 42.361 29.702 350 HD21 ASN 83 HD21 ASN 83 11.890 41.551 32.281 351 HD22 ASN 83 HD22 ASN 83 13.438 42.163 32.611 352 H LEU 84 H LEU 84 8.802 40.364 30.414 353 HA LEU 84 HA LEU 84 7.878 38.615 28.437 354 HB2 LEU 84 HB2 LEU 84 6.464 41.031 29.593 355 HB3 LEU 84 HB3 LEU 84 5.690 39.695 28.743 356 HG LEU 84 HG LEU 84 7.307 39.402 31.293 357 HD11 LEU 84 HD11 LEU 84 4.894 38.783 32.124 358 HD12 LEU 84 HD12 LEU 84 4.370 39.746 30.743 359 HD13 LEU 84 HD13 LEU 84 5.356 40.481 32.007 360 HD21 LEU 84 HD21 LEU 84 7.363 37.355 30.036 361 HD22 LEU 84 HD22 LEU 84 5.657 37.495 29.612 362 HD23 LEU 84 HD23 LEU 84 6.127 37.141 31.275 363 H SER 85 H SER 85 8.584 42.079 28.263 364 HA SER 85 HA SER 85 7.400 42.606 25.767 365 HB2 SER 85 HB2 SER 85 8.284 44.334 27.357 366 HB3 SER 85 HB3 SER 85 9.914 43.868 26.882 367 HG SER 85 HG SER 85 9.481 45.318 25.407 368 H THR 86 H THR 86 10.659 41.471 26.613 369 HA THR 86 HA THR 86 11.738 41.532 24.007 370 HB THR 86 HB THR 86 12.458 39.631 26.251 371 HG1 THR 86 HG1 THR 86 12.499 41.887 26.746 372 HG21 THR 86 HG21 THR 86 13.483 38.986 24.158 373 HG22 THR 86 HG22 THR 86 14.714 39.781 25.142 374 HG23 THR 86 HG23 THR 86 13.944 40.654 23.818 375 H ILE 87 H ILE 87 10.080 38.951 25.800 376 HA ILE 87 HA ILE 87 10.439 36.888 23.936 377 HB ILE 87 HB ILE 87 8.082 37.330 25.791 378 HG12 ILE 87 HG12 ILE 87 10.630 35.744 26.228 379 HG13 ILE 87 HG13 ILE 87 10.348 37.356 26.885 380 HG21 ILE 87 HG21 ILE 87 7.770 35.597 23.993 381 HG22 ILE 87 HG22 ILE 87 7.756 34.928 25.624 382 HG23 ILE 87 HG23 ILE 87 9.193 34.763 24.616 383 HD11 ILE 87 HD11 ILE 87 8.364 36.524 28.089 384 HD12 ILE 87 HD12 ILE 87 9.804 35.619 28.550 385 HD13 ILE 87 HD13 ILE 87 8.639 34.911 27.433 386 H TRP 88 H TRP 88 7.842 39.287 24.243 387 HA TRP 88 HA TRP 88 6.235 38.376 22.131 388 HB2 TRP 88 HB2 TRP 88 5.502 40.039 23.777 389 HB3 TRP 88 HB3 TRP 88 6.634 41.202 23.114 390 HD1 TRP 88 HD1 TRP 88 3.824 38.974 21.634 391 HE1 TRP 88 HE1 TRP 88 2.425 40.426 20.031 392 HE3 TRP 88 HE3 TRP 88 6.307 43.414 22.073 393 HZ2 TRP 88 HZ2 TRP 88 2.364 43.120 19.061 394 HZ3 TRP 88 HZ3 TRP 88 5.559 45.403 20.803 395 HH2 TRP 88 HH2 TRP 88 3.594 45.264 19.299 396 H SER 89 H SER 89 8.876 40.781 22.103 397 HA SER 89 HA SER 89 8.591 41.655 19.485 398 HB2 SER 89 HB2 SER 89 10.879 42.415 19.628 399 HB3 SER 89 HB3 SER 89 10.119 42.634 21.200 400 HG SER 89 HG SER 89 11.973 40.750 20.389 401 H LEU 90 H LEU 90 10.364 38.820 20.693 402 HA LEU 90 HA LEU 90 11.417 38.116 18.126 403 HB2 LEU 90 HB2 LEU 90 11.051 36.402 20.593 404 HB3 LEU 90 HB3 LEU 90 12.063 36.013 19.203 405 HG LEU 90 HG LEU 90 12.419 38.461 20.959 406 HD11 LEU 90 HD11 LEU 90 14.306 36.123 20.814 407 HD12 LEU 90 HD12 LEU 90 12.918 36.068 21.901 408 HD13 LEU 90 HD13 LEU 90 14.134 37.332 22.086 409 HD21 LEU 90 HD21 LEU 90 14.701 38.387 19.738 410 HD22 LEU 90 HD22 LEU 90 13.311 38.961 18.819 411 HD23 LEU 90 HD23 LEU 90 13.901 37.315 18.588 412 H ASN 91 H ASN 91 8.753 36.735 20.078 413 HA ASN 91 HA ASN 91 8.063 34.943 17.900 414 HB2 ASN 91 HB2 ASN 91 6.891 35.306 20.657 415 HB3 ASN 91 HB3 ASN 91 6.362 34.084 19.500 416 HD21 ASN 91 HD21 ASN 91 9.474 35.260 20.933 417 HD22 ASN 91 HD22 ASN 91 10.144 33.707 21.077 418 H LYS 92 H LYS 92 7.342 38.111 18.258 419 HA LYS 92 HA LYS 92 4.629 38.406 18.024 420 HB2 LYS 92 HB2 LYS 92 5.061 40.477 16.867 421 HB3 LYS 92 HB3 LYS 92 6.290 40.248 18.106 422 HG2 LYS 92 HG2 LYS 92 7.821 39.333 16.348 423 HG3 LYS 92 HG3 LYS 92 6.602 39.727 15.135 424 HD2 LYS 92 HD2 LYS 92 6.675 42.116 16.021 425 HD3 LYS 92 HD3 LYS 92 8.115 41.641 16.921 426 HE2 LYS 92 HE2 LYS 92 7.848 41.234 13.935 427 HE3 LYS 92 HE3 LYS 92 8.553 42.687 14.643 428 HZ1 LYS 92 HZ1 LYS 92 9.606 40.271 15.768 429 HZ2 LYS 92 HZ2 LYS 92 10.425 41.617 15.130 430 HZ3 LYS 92 HZ3 LYS 92 9.881 40.381 14.098 431 H HIS 93 H HIS 93 6.801 37.064 15.614 432 HA HIS 93 HA HIS 93 4.919 37.266 13.458 433 HB2 HIS 93 HB2 HIS 93 6.467 36.017 12.173 434 HB3 HIS 93 HB3 HIS 93 7.392 37.119 13.169 435 HD1 HIS 93 HD1 HIS 93 8.760 36.015 15.184 436 HD2 HIS 93 HD2 HIS 93 6.994 33.308 12.547 437 HE1 HIS 93 HE1 HIS 93 9.880 33.790 15.589 438 H LEU 94 H LEU 94 5.715 34.793 15.852 439 HA LEU 94 HA LEU 94 4.230 32.691 14.639 440 HB2 LEU 94 HB2 LEU 94 4.960 33.084 17.550 441 HB3 LEU 94 HB3 LEU 94 4.421 31.576 16.814 442 HG LEU 94 HG LEU 94 6.902 33.102 15.983 443 HD11 LEU 94 HD11 LEU 94 6.921 32.027 18.301 444 HD12 LEU 94 HD12 LEU 94 8.174 31.475 17.189 445 HD13 LEU 94 HD13 LEU 94 6.750 30.476 17.478 446 HD21 LEU 94 HD21 LEU 94 5.709 30.433 15.186 447 HD22 LEU 94 HD22 LEU 94 7.384 30.871 14.847 448 HD23 LEU 94 HD23 LEU 94 6.067 31.806 14.138 449 H TYR 95 H TYR 95 3.417 35.118 17.092 450 HA TYR 95 HA TYR 95 0.611 34.166 17.043 451 HB2 TYR 95 HB2 TYR 95 2.079 35.781 19.129 452 HB3 TYR 95 HB3 TYR 95 0.390 35.316 19.209 453 HD1 TYR 95 HD2 TYR 95 -0.209 32.870 19.379 454 HD2 TYR 95 HD1 TYR 95 3.824 34.299 19.769 455 HE1 TYR 95 HE2 TYR 95 0.443 30.735 20.457 456 HE2 TYR 95 HE1 TYR 95 4.476 32.163 20.848 457 HH TYR 95 HH TYR 95 3.589 29.798 20.908 458 H SER 96 H SER 96 -1.075 35.667 16.886 459 HA SER 96 HA SER 96 -0.551 37.770 15.033 460 HB2 SER 96 HB2 SER 96 -3.085 37.184 16.579 461 HB3 SER 96 HB3 SER 96 -2.948 38.187 15.138 462 HG SER 96 HG SER 96 -2.611 36.408 13.994 463 H SER 97 H SER 97 -1.359 37.699 18.490 464 HA SER 97 HA SER 97 -0.389 40.427 18.773 465 HB2 SER 97 HB2 SER 97 -2.423 41.330 19.688 466 HB3 SER 97 HB3 SER 97 -2.801 40.633 18.116 467 HG SER 97 HG SER 97 -3.664 38.912 19.172 468 H GLU 98 H GLU 98 -0.565 41.142 21.110 469 HA GLU 98 HA GLU 98 0.719 39.274 22.779 470 HB2 GLU 98 HB2 GLU 98 -0.712 41.849 23.471 471 HB3 GLU 98 HB3 GLU 98 0.340 40.955 24.570 472 HG2 GLU 98 HG2 GLU 98 2.195 41.174 22.931 473 HG3 GLU 98 HG3 GLU 98 1.146 42.136 21.898 474 H SER 99 H SER 99 -2.690 40.149 22.451 475 HA SER 99 HA SER 99 -3.670 39.129 24.860 476 HB2 SER 99 HB2 SER 99 -4.984 40.457 23.190 477 HB3 SER 99 HB3 SER 99 -5.065 39.018 22.178 478 HG SER 99 HG SER 99 -5.992 39.243 24.804 479 H GLU 100 H GLU 100 -3.084 37.478 21.768 480 HA GLU 100 HA GLU 100 -4.170 34.985 22.502 481 HB2 GLU 100 HB2 GLU 100 -2.000 35.677 20.515 482 HB3 GLU 100 HB3 GLU 100 -2.744 34.082 20.655 483 HG2 GLU 100 HG2 GLU 100 -4.973 35.117 20.273 484 HG3 GLU 100 HG3 GLU 100 -4.192 36.677 20.054 485 H MET 101 H MET 101 -0.953 36.369 23.019 486 HA MET 101 HA MET 101 0.299 33.991 23.919 487 HB2 MET 101 HB2 MET 101 0.878 36.889 24.577 488 HB3 MET 101 HB3 MET 101 1.935 35.536 24.985 489 HG2 MET 101 HG2 MET 101 1.996 34.938 22.541 490 HG3 MET 101 HG3 MET 101 1.113 36.429 22.209 491 HE1 MET 101 HE1 MET 101 4.029 35.559 24.818 492 HE2 MET 101 HE2 MET 101 5.388 35.904 23.751 493 HE3 MET 101 HE3 MET 101 4.215 34.668 23.302 494 H MET 102 H MET 102 -1.373 36.602 25.669 495 HA MET 102 HA MET 102 -0.907 35.668 28.271 496 HB2 MET 102 HB2 MET 102 -3.254 37.229 27.171 497 HB3 MET 102 HB3 MET 102 -2.904 37.015 28.887 498 HG2 MET 102 HG2 MET 102 -0.636 38.025 28.479 499 HG3 MET 102 HG3 MET 102 -1.153 38.388 26.831 500 HE1 MET 102 HE1 MET 102 -1.510 38.683 30.431 501 HE2 MET 102 HE2 MET 102 -3.269 38.763 30.397 502 HE3 MET 102 HE3 MET 102 -2.335 40.205 30.788 503 H LYS 103 H LYS 103 -3.435 34.846 25.948 504 HA LYS 103 HA LYS 103 -4.739 33.062 27.863 505 HB2 LYS 103 HB2 LYS 103 -5.435 33.734 24.999 506 HB3 LYS 103 HB3 LYS 103 -6.421 32.770 26.099 507 HG2 LYS 103 HG2 LYS 103 -6.419 34.752 27.679 508 HG3 LYS 103 HG3 LYS 103 -5.681 35.692 26.382 509 HD2 LYS 103 HD2 LYS 103 -8.316 34.211 26.141 510 HD3 LYS 103 HD3 LYS 103 -8.165 35.940 26.454 511 HE2 LYS 103 HE2 LYS 103 -6.837 36.137 24.325 512 HE3 LYS 103 HE3 LYS 103 -7.216 34.448 23.994 513 HZ1 LYS 103 HZ1 LYS 103 -8.740 36.544 23.259 514 HZ2 LYS 103 HZ2 LYS 103 -9.503 36.051 24.696 515 HZ3 LYS 103 HZ3 LYS 103 -9.299 34.950 23.418 516 H ALA 104 H ALA 104 -1.990 32.540 26.390 517 HA ALA 104 HA ALA 104 -2.241 30.456 24.581 518 HB1 ALA 104 HB1 ALA 104 -0.121 30.972 26.673 519 HB2 ALA 104 HB2 ALA 104 -0.095 31.459 24.979 520 HB3 ALA 104 HB3 ALA 104 0.029 29.753 25.408 521 H ALA 105 H ALA 105 -2.237 28.227 24.742 522 HA ALA 105 HA ALA 105 -2.995 27.091 27.368 523 HB1 ALA 105 HB1 ALA 105 -4.837 27.421 25.504 524 HB2 ALA 105 HB2 ALA 105 -4.784 25.943 26.463 525 HB3 ALA 105 HB3 ALA 105 -4.109 25.961 24.834 526 HA PRO 106 HA PRO 106 -0.024 23.919 26.789 527 HB2 PRO 106 HB2 PRO 106 -2.008 21.717 26.888 528 HB3 PRO 106 HB3 PRO 106 -0.643 22.061 27.967 529 HG2 PRO 106 HG2 PRO 106 -3.166 22.452 28.727 530 HG3 PRO 106 HG3 PRO 106 -1.850 23.518 29.254 531 HD2 PRO 106 HD2 PRO 106 -3.933 24.009 27.155 532 HD3 PRO 106 HD3 PRO 106 -3.227 25.141 28.331 533 H GLY 107 H GLY 107 0.991 22.722 25.193 534 HA2 GLY 107 HA2 GLY 107 0.978 21.256 23.298 535 HA3 GLY 107 HA3 GLY 107 -0.600 21.885 22.858 536 H GLN 108 H GLN 108 0.793 24.686 23.536 537 HA GLN 108 HA GLN 108 1.540 25.121 20.749 538 HB2 GLN 108 HB2 GLN 108 1.148 27.026 23.061 539 HB3 GLN 108 HB3 GLN 108 1.640 27.531 21.442 540 HG2 GLN 108 HG2 GLN 108 -0.399 26.460 20.513 541 HG3 GLN 108 HG3 GLN 108 -0.904 26.039 22.147 542 HE21 GLN 108 HE21 GLN 108 -0.657 28.668 19.829 543 HE22 GLN 108 HE22 GLN 108 -1.434 29.833 20.790 544 H GLN 109 H GLN 109 3.492 26.239 20.150 545 HA GLN 109 HA GLN 109 5.758 25.432 21.874 546 HB2 GLN 109 HB2 GLN 109 5.596 25.820 18.877 547 HB3 GLN 109 HB3 GLN 109 7.072 25.432 19.762 548 HG2 GLN 109 HG2 GLN 109 6.078 23.352 20.574 549 HG3 GLN 109 HG3 GLN 109 4.554 23.745 19.784 550 HE21 GLN 109 HE21 GLN 109 5.997 21.348 19.160 551 HE22 GLN 109 HE22 GLN 109 6.551 21.464 17.560 552 H ILE 110 H ILE 110 7.440 26.812 22.235 553 HA ILE 110 HA ILE 110 7.184 29.600 21.283 554 HB ILE 110 HB ILE 110 8.167 28.647 23.990 555 HG12 ILE 110 HG12 ILE 110 5.696 30.251 23.272 556 HG13 ILE 110 HG13 ILE 110 5.685 28.523 23.625 557 HG21 ILE 110 HG21 ILE 110 7.798 31.445 22.873 558 HG22 ILE 110 HG22 ILE 110 9.345 30.656 23.184 559 HG23 ILE 110 HG23 ILE 110 8.272 31.054 24.528 560 HD11 ILE 110 HD11 ILE 110 5.104 29.836 25.632 561 HD12 ILE 110 HD12 ILE 110 6.640 30.695 25.514 562 HD13 ILE 110 HD13 ILE 110 6.621 28.966 25.863 563 H ILE 111 H ILE 111 9.021 30.462 20.392 564 HA ILE 111 HA ILE 111 11.418 28.721 20.356 565 HB ILE 111 HB ILE 111 10.671 30.930 18.423 566 HG12 ILE 111 HG12 ILE 111 10.559 27.921 18.043 567 HG13 ILE 111 HG13 ILE 111 9.145 28.927 18.360 568 HG21 ILE 111 HG21 ILE 111 12.488 29.952 17.064 569 HG22 ILE 111 HG22 ILE 111 12.814 28.780 18.340 570 HG23 ILE 111 HG23 ILE 111 13.098 30.496 18.627 571 HD11 ILE 111 HD11 ILE 111 10.971 28.997 15.951 572 HD12 ILE 111 HD12 ILE 111 9.852 30.309 16.325 573 HD13 ILE 111 HD13 ILE 111 9.234 28.691 15.989 574 H LEU 112 H LEU 112 13.264 29.415 21.208 575 HA LEU 112 HA LEU 112 13.499 32.261 21.996 576 HB2 LEU 112 HB2 LEU 112 14.653 29.781 23.291 577 HB3 LEU 112 HB3 LEU 112 15.040 31.434 23.771 578 HG LEU 112 HG LEU 112 12.169 30.554 23.617 579 HD11 LEU 112 HD11 LEU 112 14.027 30.173 25.985 580 HD12 LEU 112 HD12 LEU 112 13.339 28.875 25.009 581 HD13 LEU 112 HD13 LEU 112 12.286 29.896 25.988 582 HD21 LEU 112 HD21 LEU 112 11.890 32.322 25.272 583 HD22 LEU 112 HD22 LEU 112 12.817 32.959 23.914 584 HD23 LEU 112 HD23 LEU 112 13.639 32.513 25.410 585 HA PRO 113 HA PRO 113 17.086 31.534 19.243 586 HB2 PRO 113 HB2 PRO 113 16.778 33.583 17.536 587 HB3 PRO 113 HB3 PRO 113 15.772 32.126 17.405 588 HG2 PRO 113 HG2 PRO 113 15.081 34.807 18.441 589 HG3 PRO 113 HG3 PRO 113 14.068 33.616 17.607 590 HD2 PRO 113 HD2 PRO 113 14.191 34.059 20.409 591 HD3 PRO 113 HD3 PRO 113 13.360 32.727 19.578 592 H LEU 114 H LEU 114 18.631 32.066 20.818 593 HA LEU 114 HA LEU 114 19.018 34.903 21.478 594 HB2 LEU 114 HB2 LEU 114 20.359 32.447 22.632 595 HB3 LEU 114 HB3 LEU 114 20.519 34.097 23.230 596 HG LEU 114 HG LEU 114 17.910 32.556 23.087 597 HD11 LEU 114 HD11 LEU 114 19.324 31.578 24.789 598 HD12 LEU 114 HD12 LEU 114 18.131 32.592 25.600 599 HD13 LEU 114 HD13 LEU 114 19.784 33.171 25.389 600 HD21 LEU 114 HD21 LEU 114 17.317 34.510 24.729 601 HD22 LEU 114 HD22 LEU 114 17.324 34.829 22.995 602 HD23 LEU 114 HD23 LEU 114 18.696 35.321 23.988 603 H LYS 115 H LYS 115 20.801 36.045 20.902 604 HA LYS 115 HA LYS 115 22.877 34.658 19.307 605 HB2 LYS 115 HB2 LYS 115 21.619 37.360 18.774 606 HB3 LYS 115 HB3 LYS 115 23.011 36.706 17.908 607 HG2 LYS 115 HG2 LYS 115 21.627 34.739 17.244 608 HG3 LYS 115 HG3 LYS 115 20.232 35.496 18.017 609 HD2 LYS 115 HD2 LYS 115 20.534 37.477 16.524 610 HD3 LYS 115 HD3 LYS 115 21.831 36.614 15.696 611 HE2 LYS 115 HE2 LYS 115 20.027 34.717 15.446 612 HE3 LYS 115 HE3 LYS 115 18.884 36.035 15.712 613 HZ1 LYS 115 HZ1 LYS 115 21.038 36.096 13.672 614 HZ2 LYS 115 HZ2 LYS 115 19.774 37.213 13.864 615 HZ3 LYS 115 HZ3 LYS 115 19.440 35.631 13.345 616 H LYS 116 H LYS 116 24.979 35.450 19.499 617 HA LYS 116 HA LYS 116 25.435 37.364 21.718 618 HB2 LYS 116 HB2 LYS 116 27.158 34.986 20.979 619 HB3 LYS 116 HB3 LYS 116 27.424 36.099 22.319 620 HG2 LYS 116 HG2 LYS 116 24.982 34.329 22.004 621 HG3 LYS 116 HG3 LYS 116 26.353 33.976 23.054 622 HD2 LYS 116 HD2 LYS 116 25.937 36.167 24.219 623 HD3 LYS 116 HD3 LYS 116 24.463 36.333 23.264 624 HE2 LYS 116 HE2 LYS 116 23.416 34.529 24.315 625 HE3 LYS 116 HE3 LYS 116 24.945 33.814 24.827 626 HZ1 LYS 116 HZ1 LYS 116 25.002 36.201 26.055 627 HZ2 LYS 116 HZ2 LYS 116 24.462 34.761 26.777 628 HZ3 LYS 116 HZ3 LYS 116 23.343 35.848 26.103 629 H LEU 117 H LEU 117 27.226 38.746 21.526 630 HA LEU 117 HA LEU 117 28.391 38.942 18.807 631 HB2 LEU 117 HB2 LEU 117 26.628 40.704 19.479 632 HB3 LEU 117 HB3 LEU 117 27.867 41.329 20.569 633 HG LEU 117 HG LEU 117 29.431 41.361 18.547 634 HD11 LEU 117 HD11 LEU 117 28.326 39.977 16.975 635 HD12 LEU 117 HD12 LEU 117 28.065 41.611 16.366 636 HD13 LEU 117 HD13 LEU 117 26.776 40.778 17.233 637 HD21 LEU 117 HD21 LEU 117 28.428 43.406 19.472 638 HD22 LEU 117 HD22 LEU 117 26.960 43.124 18.539 639 HD23 LEU 117 HD23 LEU 117 28.471 43.497 17.711 640 HA PRO 118 HA PRO 118 31.759 38.377 21.996 641 HB2 PRO 118 HB2 PRO 118 33.137 37.294 19.593 642 HB3 PRO 118 HB3 PRO 118 33.043 36.638 21.238 643 HG2 PRO 118 HG2 PRO 118 31.666 35.564 19.237 644 HG3 PRO 118 HG3 PRO 118 31.002 35.657 20.880 645 HD2 PRO 118 HD2 PRO 118 30.333 37.327 18.488 646 HD3 PRO 118 HD3 PRO 118 29.277 36.760 19.802 647 H PHE 119 H PHE 119 31.515 40.018 18.953 648 HA PHE 119 HA PHE 119 34.132 41.302 19.256 649 HB2 PHE 119 HB2 PHE 119 33.392 40.500 17.032 650 HB3 PHE 119 HB3 PHE 119 32.043 41.618 17.098 651 HD1 PHE 119 HD1 PHE 119 35.719 41.319 16.827 652 HD2 PHE 119 HD2 PHE 119 32.345 43.973 16.669 653 HE1 PHE 119 HE1 PHE 119 37.155 43.086 15.844 654 HE2 PHE 119 HE2 PHE 119 33.781 45.740 15.686 655 HZ PHE 119 HZ PHE 119 36.186 45.297 15.274 656 H GLU 120 H GLU 120 34.403 43.281 20.058 657 HA GLU 120 HA GLU 120 32.002 44.909 20.641 658 HB2 GLU 120 HB2 GLU 120 33.364 44.132 22.596 659 HB3 GLU 120 HB3 GLU 120 34.723 45.056 21.955 660 HG2 GLU 120 HG2 GLU 120 33.315 47.109 22.017 661 HG3 GLU 120 HG3 GLU 120 32.020 46.172 22.748 662 H TYR 121 H TYR 121 31.930 47.037 20.021 663 HA TYR 121 HA TYR 121 34.245 48.112 18.531 664 HB2 TYR 121 HB2 TYR 121 32.779 48.954 16.808 665 HB3 TYR 121 HB3 TYR 121 32.591 47.217 16.946 666 HD1 TYR 121 HD2 TYR 121 30.565 46.276 18.090 667 HD2 TYR 121 HD1 TYR 121 30.960 50.455 17.179 668 HE1 TYR 121 HE2 TYR 121 28.120 46.569 18.379 669 HE2 TYR 121 HE1 TYR 121 28.514 50.747 17.467 670 HH TYR 121 HH TYR 121 26.654 49.666 18.427 671 H SER 122 H SER 122 34.458 50.357 18.542 672 HA SER 122 HA SER 122 33.330 51.611 20.909 673 HB2 SER 122 HB2 SER 122 35.756 51.780 20.325 674 HB3 SER 122 HB3 SER 122 35.305 52.739 18.919 675 HG SER 122 HG SER 122 35.314 53.400 21.553 676 H ALA 123 H ALA 123 32.988 51.862 17.422 677 HA ALA 123 HA ALA 123 31.971 54.443 17.174 678 HB1 ALA 123 HB1 ALA 123 30.938 52.091 15.592 679 HB2 ALA 123 HB2 ALA 123 32.543 52.774 15.327 680 HB3 ALA 123 HB3 ALA 123 31.108 53.768 15.071 681 H LEU 124 H LEU 124 29.886 55.310 17.166 682 HA LEU 124 HA LEU 124 27.796 53.675 18.483 683 HB2 LEU 124 HB2 LEU 124 28.689 56.491 19.083 684 HB3 LEU 124 HB3 LEU 124 27.091 55.904 19.541 685 HG LEU 124 HG LEU 124 29.616 54.417 20.274 686 HD11 LEU 124 HD11 LEU 124 29.606 55.524 22.411 687 HD12 LEU 124 HD12 LEU 124 28.100 56.361 22.034 688 HD13 LEU 124 HD13 LEU 124 29.584 56.786 21.180 689 HD21 LEU 124 HD21 LEU 124 26.704 54.314 21.020 690 HD22 LEU 124 HD22 LEU 124 27.920 53.734 22.156 691 HD23 LEU 124 HD23 LEU 124 27.778 52.993 20.562 692 HA PRO 125 HA PRO 125 25.985 55.652 14.734 693 HB2 PRO 125 HB2 PRO 125 25.228 53.457 13.360 694 HB3 PRO 125 HB3 PRO 125 26.898 54.058 13.309 695 HG2 PRO 125 HG2 PRO 125 25.772 51.735 14.748 696 HG3 PRO 125 HG3 PRO 125 27.382 51.964 14.046 697 HD2 PRO 125 HD2 PRO 125 26.704 52.241 16.772 698 HD3 PRO 125 HD3 PRO 125 28.222 52.752 16.008 699 H LEU 126 H LEU 126 24.131 56.486 15.607 700 HA LEU 126 HA LEU 126 22.119 54.676 16.733 701 HB2 LEU 126 HB2 LEU 126 22.161 57.703 16.639 702 HB3 LEU 126 HB3 LEU 126 21.035 56.703 17.553 703 HG LEU 126 HG LEU 126 24.041 56.739 17.959 704 HD11 LEU 126 HD11 LEU 126 23.110 58.835 18.719 705 HD12 LEU 126 HD12 LEU 126 23.394 57.833 20.142 706 HD13 LEU 126 HD13 LEU 126 21.761 58.010 19.499 707 HD21 LEU 126 HD21 LEU 126 23.174 55.591 20.162 708 HD22 LEU 126 HD22 LEU 126 23.342 54.628 18.695 709 HD23 LEU 126 HD23 LEU 126 21.754 55.218 19.185 710 H LEU 127 H LEU 127 20.219 54.219 15.772 711 HA LEU 127 HA LEU 127 19.683 55.453 13.140 712 HB2 LEU 127 HB2 LEU 127 18.771 52.823 14.329 713 HB3 LEU 127 HB3 LEU 127 18.241 53.451 12.767 714 HG LEU 127 HG LEU 127 20.828 53.666 12.308 715 HD11 LEU 127 HD11 LEU 127 21.878 51.549 13.450 716 HD12 LEU 127 HD12 LEU 127 20.629 51.812 14.665 717 HD13 LEU 127 HD13 LEU 127 21.820 53.070 14.339 718 HD21 LEU 127 HD21 LEU 127 19.484 50.946 12.367 719 HD22 LEU 127 HD22 LEU 127 20.799 51.445 11.304 720 HD23 LEU 127 HD23 LEU 127 19.201 52.169 11.129 721 H GLY 128 H GLY 128 17.968 56.731 12.898 722 HA2 GLY 128 HA2 GLY 128 16.345 57.561 15.041 723 HA3 GLY 128 HA3 GLY 128 16.022 57.873 13.339 724 H SER 129 H SER 129 15.869 55.067 12.589 725 HA SER 129 HA SER 129 13.105 54.688 12.880 726 HB2 SER 129 HB2 SER 129 13.453 52.547 11.807 727 HB3 SER 129 HB3 SER 129 14.508 53.738 11.057 728 HG SER 129 HG SER 129 16.149 52.709 11.885 729 H ALA 130 H ALA 130 15.791 53.503 14.833 730 HA ALA 130 HA ALA 130 14.169 51.566 16.221 731 HB1 ALA 130 HB1 ALA 130 16.177 51.314 17.675 732 HB2 ALA 130 HB2 ALA 130 16.940 52.641 16.799 733 HB3 ALA 130 HB3 ALA 130 16.547 51.141 15.960 734 HA PRO 131 HA PRO 131 12.850 54.534 19.289 735 HB2 PRO 131 HB2 PRO 131 11.638 52.926 21.070 736 HB3 PRO 131 HB3 PRO 131 11.000 53.135 19.427 737 HG2 PRO 131 HG2 PRO 131 12.475 50.859 20.602 738 HG3 PRO 131 HG3 PRO 131 11.224 50.876 19.349 739 HD2 PRO 131 HD2 PRO 131 14.017 50.698 18.924 740 HD3 PRO 131 HD3 PRO 131 12.774 50.979 17.687 741 H LEU 132 H LEU 132 14.928 51.878 20.275 742 HA LEU 132 HA LEU 132 15.305 52.483 22.977 743 HB2 LEU 132 HB2 LEU 132 16.096 50.416 21.829 744 HB3 LEU 132 HB3 LEU 132 17.370 51.368 21.067 745 HG LEU 132 HG LEU 132 18.096 52.064 23.398 746 HD11 LEU 132 HD11 LEU 132 16.014 49.980 24.066 747 HD12 LEU 132 HD12 LEU 132 16.182 51.607 24.725 748 HD13 LEU 132 HD13 LEU 132 17.339 50.352 25.170 749 HD21 LEU 132 HD21 LEU 132 18.146 49.099 22.752 750 HD22 LEU 132 HD22 LEU 132 19.266 49.936 23.826 751 HD23 LEU 132 HD23 LEU 132 19.258 50.303 22.101 752 H VAL 133 H VAL 133 16.785 53.898 20.100 753 HA VAL 133 HA VAL 133 18.308 55.746 21.853 754 HB VAL 133 HB VAL 133 19.955 55.906 20.024 755 HG11 VAL 133 HG11 VAL 133 20.922 53.661 20.324 756 HG12 VAL 133 HG12 VAL 133 19.366 53.060 20.897 757 HG13 VAL 133 HG13 VAL 133 20.254 54.254 21.845 758 HG21 VAL 133 HG21 VAL 133 19.838 54.372 18.128 759 HG22 VAL 133 HG22 VAL 133 18.355 55.326 18.184 760 HG23 VAL 133 HG23 VAL 133 18.353 53.658 18.760 761 H ALA 134 H ALA 134 18.519 57.905 21.157 762 HA ALA 134 HA ALA 134 16.729 58.781 18.996 763 HB1 ALA 134 HB1 ALA 134 15.546 60.315 20.343 764 HB2 ALA 134 HB2 ALA 134 16.685 60.152 21.679 765 HB3 ALA 134 HB3 ALA 134 15.579 58.832 21.296 766 H ALA 135 H ALA 135 17.188 60.912 18.215 767 HA ALA 135 HA ALA 135 19.720 62.101 19.147 768 HB1 ALA 135 HB1 ALA 135 19.060 61.177 16.360 769 HB2 ALA 135 HB2 ALA 135 20.516 60.876 17.307 770 HB3 ALA 135 HB3 ALA 135 20.215 62.480 16.637 771 H GLY 136 H GLY 136 19.600 64.245 19.349 772 HA2 GLY 136 HA2 GLY 136 17.216 65.688 18.923 773 HA3 GLY 136 HA3 GLY 136 18.792 66.397 19.257 774 H GLY 137 H GLY 137 20.111 65.293 16.936 775 HA2 GLY 137 HA2 GLY 137 19.789 67.364 15.116 776 HA3 GLY 137 HA3 GLY 137 20.538 65.817 14.739 777 H VAL 138 H VAL 138 18.095 64.268 15.273 778 HA VAL 138 HA VAL 138 16.478 65.098 12.928 779 HB VAL 138 HB VAL 138 16.205 62.700 12.410 780 HG11 VAL 138 HG11 VAL 138 19.125 63.472 12.661 781 HG12 VAL 138 HG12 VAL 138 18.049 64.095 11.412 782 HG13 VAL 138 HG13 VAL 138 18.418 62.372 11.479 783 HG21 VAL 138 HG21 VAL 138 17.608 61.043 13.550 784 HG22 VAL 138 HG22 VAL 138 16.583 61.864 14.728 785 HG23 VAL 138 HG23 VAL 138 18.286 62.300 14.583 786 H ALA 139 H ALA 139 14.293 64.881 13.065 787 HA ALA 139 HA ALA 139 13.204 64.106 15.707 788 HB1 ALA 139 HB1 ALA 139 11.874 65.847 13.625 789 HB2 ALA 139 HB2 ALA 139 12.887 66.491 14.916 790 HB3 ALA 139 HB3 ALA 139 11.401 65.627 15.308 791 H GLY 140 H GLY 140 11.401 62.766 15.808 792 HA2 GLY 140 HA2 GLY 140 10.864 61.216 13.345 793 HA3 GLY 140 HA3 GLY 140 10.703 60.599 14.986 794 H HIS 141 H HIS 141 9.534 63.640 13.558 795 HA HIS 141 HA HIS 141 7.073 63.669 14.859 796 HB2 HIS 141 HB2 HIS 141 7.782 64.826 12.161 797 HB3 HIS 141 HB3 HIS 141 6.362 65.249 13.100 798 HD1 HIS 141 HD1 HIS 141 7.000 66.252 15.607 799 HD2 HIS 141 HD2 HIS 141 9.942 66.449 12.660 800 HE1 HIS 141 HE1 HIS 141 8.678 67.981 16.385 801 H THR 142 H THR 142 7.960 62.224 11.751 802 HA THR 142 HA THR 142 5.411 61.546 10.824 803 HB THR 142 HB THR 142 7.945 59.923 10.488 804 HG1 THR 142 HG1 THR 142 8.537 61.637 9.486 805 HG21 THR 142 HG21 THR 142 6.903 59.152 8.441 806 HG22 THR 142 HG22 THR 142 5.531 60.232 8.684 807 HG23 THR 142 HG23 THR 142 5.782 58.867 9.772 808 H ASN 143 H ASN 143 7.543 59.865 13.099 809 HA ASN 143 HA ASN 143 5.550 57.739 13.443 810 HB2 ASN 143 HB2 ASN 143 8.359 58.053 14.524 811 HB3 ASN 143 HB3 ASN 143 7.310 56.676 14.847 812 HD21 ASN 143 HD21 ASN 143 9.857 56.496 13.435 813 HD22 ASN 143 HD22 ASN 143 9.518 55.977 11.855 814 H GLY 144 H GLY 144 4.747 57.184 15.528 815 HA2 GLY 144 HA2 GLY 144 4.113 57.568 17.734 816 HA3 GLY 144 HA3 GLY 144 5.177 58.971 17.767 817 H SER 145 H SER 145 2.601 58.314 15.427 818 HA SER 145 HA SER 145 1.214 60.759 16.371 819 HB2 SER 145 HB2 SER 145 2.158 60.921 14.085 820 HB3 SER 145 HB3 SER 145 1.209 59.518 13.611 821 HG SER 145 HG SER 145 0.288 61.680 13.274 822 H GLY 146 H GLY 146 -0.816 60.577 17.062 823 HA2 GLY 146 HA2 GLY 146 -2.057 58.083 17.495 824 HA3 GLY 146 HA3 GLY 146 -2.837 59.652 17.651 825 H SER 147 H SER 147 -2.417 60.473 14.914 826 HA SER 147 HA SER 147 -4.785 59.563 13.753 827 HB2 SER 147 HB2 SER 147 -2.373 60.693 12.318 828 HB3 SER 147 HB3 SER 147 -4.026 60.656 11.715 829 HG SER 147 HG SER 147 -4.385 62.331 12.907 830 H GLU 148 H GLU 148 -1.469 58.386 13.366 831 HA GLU 148 HA GLU 148 -1.928 56.645 11.198 832 HB2 GLU 148 HB2 GLU 148 0.078 56.463 13.455 833 HB3 GLU 148 HB3 GLU 148 0.122 55.481 11.989 834 HG2 GLU 148 HG2 GLU 148 0.208 58.510 12.063 835 HG3 GLU 148 HG3 GLU 148 1.602 57.464 11.817 836 H ASN 149 H ASN 149 -2.403 56.227 14.675 837 HA ASN 149 HA ASN 149 -3.206 53.432 14.254 838 HB2 ASN 149 HB2 ASN 149 -1.653 54.167 16.149 839 HB3 ASN 149 HB3 ASN 149 -3.077 54.896 16.888 840 HD21 ASN 149 HD21 ASN 149 -2.718 53.249 18.660 841 HD22 ASN 149 HD22 ASN 149 -3.303 51.671 18.436 842 H LEU 150 H LEU 150 -5.273 52.957 13.943 843 HA LEU 150 HA LEU 150 -7.343 54.833 13.889 844 HB2 LEU 150 HB2 LEU 150 -7.365 52.625 12.733 845 HB3 LEU 150 HB3 LEU 150 -7.614 51.845 14.295 846 HG LEU 150 HG LEU 150 -9.668 53.310 14.580 847 HD11 LEU 150 HD11 LEU 150 -10.572 54.083 12.278 848 HD12 LEU 150 HD12 LEU 150 -8.895 53.974 11.740 849 HD13 LEU 150 HD13 LEU 150 -9.332 55.075 13.046 850 HD21 LEU 150 HD21 LEU 150 -9.547 51.378 12.242 851 HD22 LEU 150 HD22 LEU 150 -11.039 51.931 13.004 852 HD23 LEU 150 HD23 LEU 150 -9.883 50.968 13.924 853 H TYR 151 H TYR 151 -6.312 52.644 16.472 854 HA TYR 151 HA TYR 151 -8.320 53.885 18.269 855 HB2 TYR 151 HB2 TYR 151 -8.510 51.421 17.848 856 HB3 TYR 151 HB3 TYR 151 -6.924 51.224 18.563 857 HD1 TYR 151 HD1 TYR 151 -10.376 52.452 19.263 858 HD2 TYR 151 HD2 TYR 151 -6.684 50.987 20.899 859 HE1 TYR 151 HE1 TYR 151 -11.437 52.274 21.498 860 HE2 TYR 151 HE2 TYR 151 -7.744 50.812 23.134 861 HH TYR 151 HH TYR 151 -11.140 51.503 23.597 862 H PHE 152 H PHE 152 -7.334 55.484 19.350 863 HA PHE 152 HA PHE 152 -4.544 55.671 19.756 864 HB2 PHE 152 HB2 PHE 152 -6.138 57.587 19.720 865 HB3 PHE 152 HB3 PHE 152 -6.735 57.072 21.287 866 HD1 PHE 152 HD1 PHE 152 -3.861 58.495 19.457 867 HD2 PHE 152 HD2 PHE 152 -5.460 57.460 23.306 868 HE1 PHE 152 HE1 PHE 152 -2.066 59.808 20.556 869 HE2 PHE 152 HE2 PHE 152 -3.665 58.773 24.406 870 HZ PHE 152 HZ PHE 152 -1.968 59.947 23.030 871 H GLN 153 H GLN 153 -7.183 54.783 21.984 872 HA GLN 153 HA GLN 153 -5.439 54.324 24.203 873 HB2 GLN 153 HB2 GLN 153 -8.271 53.380 23.695 874 HB3 GLN 153 HB3 GLN 153 -7.426 53.262 25.236 875 HG2 GLN 153 HG2 GLN 153 -8.031 55.835 23.751 876 HG3 GLN 153 HG3 GLN 153 -8.888 55.248 25.172 877 HE21 GLN 153 HE21 GLN 153 -6.889 57.636 24.549 878 HE22 GLN 153 HE22 GLN 153 -5.845 57.581 25.887 Start of MODEL 16 1 H1 MET 39 HT1 MET 39 47.053 42.500 -9.299 2 H2 MET 39 HT2 MET 39 46.291 43.445 -10.489 3 H3 MET 39 HT3 MET 39 45.933 43.693 -8.847 4 HA MET 39 HA MET 39 48.549 44.198 -10.157 5 HB2 MET 39 HB2 MET 39 46.426 46.066 -9.059 6 HB3 MET 39 HB3 MET 39 48.012 46.572 -9.642 7 HG2 MET 39 HG2 MET 39 47.457 45.509 -11.855 8 HG3 MET 39 HG3 MET 39 45.821 45.238 -11.254 9 HE1 MET 39 HE1 MET 39 48.539 47.509 -12.333 10 HE2 MET 39 HE2 MET 39 48.362 48.343 -10.790 11 HE3 MET 39 HE3 MET 39 47.913 49.162 -12.284 12 H ASN 40 H ASN 40 49.479 46.046 -8.428 13 HA ASN 40 HA ASN 40 50.023 44.438 -6.058 14 HB2 ASN 40 HB2 ASN 40 51.188 47.056 -7.031 15 HB3 ASN 40 HB3 ASN 40 51.729 46.189 -5.595 16 HD21 ASN 40 HD21 ASN 40 53.410 46.708 -7.924 17 HD22 ASN 40 HD22 ASN 40 53.814 45.201 -8.593 18 H GLY 41 H GLY 41 49.939 45.349 -3.909 19 HA2 GLY 41 HA2 GLY 41 49.077 46.698 -2.221 20 HA3 GLY 41 HA3 GLY 41 48.383 47.749 -3.450 21 H GLU 42 H GLU 42 47.895 44.252 -3.195 22 HA GLU 42 HA GLU 42 45.077 44.481 -3.458 23 HB2 GLU 42 HB2 GLU 42 46.769 42.157 -2.513 24 HB3 GLU 42 HB3 GLU 42 45.063 42.057 -2.950 25 HG2 GLU 42 HG2 GLU 42 47.288 42.970 -4.796 26 HG3 GLU 42 HG3 GLU 42 46.536 41.380 -4.827 27 H ASN 43 H ASN 43 43.551 44.841 -1.980 28 HA ASN 43 HA ASN 43 44.155 45.431 0.722 29 HB2 ASN 43 HB2 ASN 43 41.512 44.816 -0.615 30 HB3 ASN 43 HB3 ASN 43 41.682 45.455 1.018 31 HD21 ASN 43 HD21 ASN 43 40.351 46.872 -1.155 32 HD22 ASN 43 HD22 ASN 43 41.247 48.281 -1.456 33 H TYR 44 H TYR 44 42.887 42.535 -0.865 34 HA TYR 44 HA TYR 44 43.084 41.090 1.718 35 HB2 TYR 44 HB2 TYR 44 41.307 40.474 -0.645 36 HB3 TYR 44 HB3 TYR 44 41.373 39.578 0.861 37 HD1 TYR 44 HD2 TYR 44 40.628 40.710 3.000 38 HD2 TYR 44 HD1 TYR 44 39.986 42.426 -0.886 39 HE1 TYR 44 HE2 TYR 44 38.898 42.213 3.949 40 HE2 TYR 44 HE1 TYR 44 38.257 43.928 0.063 41 HH TYR 44 HH TYR 44 37.708 44.151 3.460 42 H PHE 45 H PHE 45 44.440 39.405 1.812 43 HA PHE 45 HA PHE 45 46.138 38.844 -0.441 44 HB2 PHE 45 HB2 PHE 45 47.331 37.381 1.048 45 HB3 PHE 45 HB3 PHE 45 46.983 38.893 1.860 46 HD1 PHE 45 HD2 PHE 45 45.154 38.982 3.584 47 HD2 PHE 45 HD1 PHE 45 46.514 35.295 1.851 48 HE1 PHE 45 HE2 PHE 45 44.109 37.721 5.447 49 HE2 PHE 45 HE1 PHE 45 45.471 34.034 3.714 50 HZ PHE 45 HZ PHE 45 44.269 35.247 5.512 51 H LYS 46 H LYS 46 43.227 37.399 0.802 52 HA LYS 46 HA LYS 46 43.719 34.839 -0.496 53 HB2 LYS 46 HB2 LYS 46 41.277 35.947 0.909 54 HB3 LYS 46 HB3 LYS 46 41.416 34.306 0.278 55 HG2 LYS 46 HG2 LYS 46 43.417 33.960 1.732 56 HG3 LYS 46 HG3 LYS 46 43.148 35.561 2.425 57 HD2 LYS 46 HD2 LYS 46 40.858 34.835 3.108 58 HD3 LYS 46 HD3 LYS 46 41.233 33.213 2.525 59 HE2 LYS 46 HE2 LYS 46 43.344 33.466 4.091 60 HE3 LYS 46 HE3 LYS 46 42.344 34.676 4.896 61 HZ1 LYS 46 HZ1 LYS 46 41.718 31.812 4.463 62 HZ2 LYS 46 HZ2 LYS 46 40.563 32.947 4.978 63 HZ3 LYS 46 HZ3 LYS 46 41.922 32.616 5.942 64 H LEU 47 H LEU 47 43.256 34.421 -2.551 65 HA LEU 47 HA LEU 47 42.117 36.337 -4.302 66 HB2 LEU 47 HB2 LEU 47 42.481 33.360 -4.713 67 HB3 LEU 47 HB3 LEU 47 42.197 34.553 -5.979 68 HG LEU 47 HG LEU 47 44.572 34.575 -4.094 69 HD11 LEU 47 HD11 LEU 47 45.759 34.056 -6.348 70 HD12 LEU 47 HD12 LEU 47 44.169 33.517 -6.889 71 HD13 LEU 47 HD13 LEU 47 44.947 32.730 -5.514 72 HD21 LEU 47 HD21 LEU 47 43.728 36.270 -6.453 73 HD22 LEU 47 HD22 LEU 47 45.404 36.195 -5.913 74 HD23 LEU 47 HD23 LEU 47 44.155 36.805 -4.828 75 H GLY 48 H GLY 48 40.764 33.560 -2.588 76 HA2 GLY 48 HA2 GLY 48 38.292 33.521 -4.029 77 HA3 GLY 48 HA3 GLY 48 38.626 32.692 -2.512 78 H SER 49 H SER 49 36.765 35.022 -3.909 79 HA SER 49 HA SER 49 36.604 37.059 -1.976 80 HB2 SER 49 HB2 SER 49 34.384 35.989 -3.732 81 HB3 SER 49 HB3 SER 49 34.427 37.562 -2.943 82 HG SER 49 HG SER 49 35.628 36.746 -5.196 83 H ASP 50 H ASP 50 35.128 33.858 -2.108 84 HA ASP 50 HA ASP 50 33.118 34.149 -0.204 85 HB2 ASP 50 HB2 ASP 50 33.538 32.138 -1.651 86 HB3 ASP 50 HB3 ASP 50 34.852 31.700 -0.561 87 H SER 51 H SER 51 36.584 33.615 0.251 88 HA SER 51 HA SER 51 36.572 32.921 2.962 89 HB2 SER 51 HB2 SER 51 38.899 33.590 2.985 90 HB3 SER 51 HB3 SER 51 38.546 32.802 1.450 91 HG SER 51 HG SER 51 39.647 34.966 1.533 92 H LYS 52 H LYS 52 36.334 36.089 1.428 93 HA LYS 52 HA LYS 52 36.873 37.728 3.625 94 HB2 LYS 52 HB2 LYS 52 36.565 38.513 1.282 95 HB3 LYS 52 HB3 LYS 52 34.832 38.230 1.447 96 HG2 LYS 52 HG2 LYS 52 34.785 39.800 3.377 97 HG3 LYS 52 HG3 LYS 52 36.499 40.134 3.118 98 HD2 LYS 52 HD2 LYS 52 35.949 40.865 0.785 99 HD3 LYS 52 HD3 LYS 52 34.239 40.670 1.171 100 HE2 LYS 52 HE2 LYS 52 35.960 42.348 2.969 101 HE3 LYS 52 HE3 LYS 52 35.380 43.028 1.448 102 HZ1 LYS 52 HZ1 LYS 52 33.140 41.969 2.332 103 HZ2 LYS 52 HZ2 LYS 52 33.626 43.542 2.755 104 HZ3 LYS 52 HZ3 LYS 52 33.886 42.250 3.830 105 H LEU 53 H LEU 53 33.899 36.038 2.714 106 HA LEU 53 HA LEU 53 32.476 37.227 4.984 107 HB2 LEU 53 HB2 LEU 53 31.364 37.045 2.758 108 HB3 LEU 53 HB3 LEU 53 31.461 35.290 2.893 109 HG LEU 53 HG LEU 53 30.217 35.501 5.098 110 HD11 LEU 53 HD11 LEU 53 30.530 37.784 5.676 111 HD12 LEU 53 HD12 LEU 53 28.838 37.674 5.192 112 HD13 LEU 53 HD13 LEU 53 30.032 38.339 4.078 113 HD21 LEU 53 HD21 LEU 53 28.005 36.056 3.895 114 HD22 LEU 53 HD22 LEU 53 28.958 34.724 3.240 115 HD23 LEU 53 HD23 LEU 53 28.992 36.304 2.455 116 H LEU 54 H LEU 54 32.162 36.199 6.857 117 HA LEU 54 HA LEU 54 33.104 33.417 7.087 118 HB2 LEU 54 HB2 LEU 54 32.518 35.443 9.259 119 HB3 LEU 54 HB3 LEU 54 33.241 33.851 9.486 120 HG LEU 54 HG LEU 54 34.443 36.071 7.802 121 HD11 LEU 54 HD11 LEU 54 36.191 35.923 9.719 122 HD12 LEU 54 HD12 LEU 54 34.899 35.149 10.637 123 HD13 LEU 54 HD13 LEU 54 34.690 36.792 10.034 124 HD21 LEU 54 HD21 LEU 54 35.275 34.054 6.923 125 HD22 LEU 54 HD22 LEU 54 35.255 33.251 8.493 126 HD23 LEU 54 HD23 LEU 54 36.483 34.467 8.139 127 H THR 55 H THR 55 31.787 31.781 7.670 128 HA THR 55 HA THR 55 28.956 32.124 7.511 129 HB THR 55 HB THR 55 28.850 29.728 8.008 130 HG1 THR 55 HG1 THR 55 30.389 28.953 9.144 131 HG21 THR 55 HG21 THR 55 31.140 30.461 6.162 132 HG22 THR 55 HG22 THR 55 29.432 30.443 5.724 133 HG23 THR 55 HG23 THR 55 30.252 28.938 6.138 134 H HIS 56 H HIS 56 31.229 31.956 10.187 135 HA HIS 56 HA HIS 56 29.531 31.241 12.277 136 HB2 HIS 56 HB2 HIS 56 31.983 31.492 12.463 137 HB3 HIS 56 HB3 HIS 56 31.800 33.233 12.349 138 HD1 HIS 56 HD1 HIS 56 30.466 30.419 14.565 139 HD2 HIS 56 HD2 HIS 56 31.685 34.396 14.839 140 HE1 HIS 56 HE1 HIS 56 30.321 31.044 17.014 141 H ASN 57 H ASN 57 30.018 34.389 10.741 142 HA ASN 57 HA ASN 57 28.736 36.045 12.563 143 HB2 ASN 57 HB2 ASN 57 28.763 36.198 9.544 144 HB3 ASN 57 HB3 ASN 57 28.247 37.505 10.607 145 HD21 ASN 57 HD21 ASN 57 30.530 37.677 8.801 146 HD22 ASN 57 HD22 ASN 57 31.915 37.870 9.763 147 H SER 58 H SER 58 27.323 33.899 10.141 148 HA SER 58 HA SER 58 24.634 34.893 10.656 149 HB2 SER 58 HB2 SER 58 25.325 34.183 8.375 150 HB3 SER 58 HB3 SER 58 25.544 32.544 8.979 151 HG SER 58 HG SER 58 23.242 33.972 8.560 152 H TYR 59 H TYR 59 22.970 33.688 11.596 153 HA TYR 59 HA TYR 59 23.735 31.218 13.007 154 HB2 TYR 59 HB2 TYR 59 22.779 31.975 15.066 155 HB3 TYR 59 HB3 TYR 59 23.967 33.152 14.545 156 HD1 TYR 59 HD2 TYR 59 23.231 35.354 13.643 157 HD2 TYR 59 HD1 TYR 59 20.447 32.509 15.257 158 HE1 TYR 59 HE2 TYR 59 21.517 37.136 13.826 159 HE2 TYR 59 HE1 TYR 59 18.733 34.291 15.440 160 HH TYR 59 HH TYR 59 19.484 37.612 14.785 161 H GLN 60 H GLN 60 21.799 30.054 13.869 162 HA GLN 60 HA GLN 60 19.241 30.661 12.667 163 HB2 GLN 60 HB2 GLN 60 20.518 29.651 10.779 164 HB3 GLN 60 HB3 GLN 60 20.710 28.184 11.741 165 HG2 GLN 60 HG2 GLN 60 18.274 27.929 11.879 166 HG3 GLN 60 HG3 GLN 60 18.051 29.421 10.972 167 HE21 GLN 60 HE21 GLN 60 16.878 27.204 9.867 168 HE22 GLN 60 HE22 GLN 60 17.757 26.656 8.522 169 H ASN 61 H ASN 61 21.291 28.455 14.502 170 HA ASN 61 HA ASN 61 19.318 26.643 15.342 171 HB2 ASN 61 HB2 ASN 61 20.873 26.043 17.120 172 HB3 ASN 61 HB3 ASN 61 21.739 26.258 15.602 173 HD21 ASN 61 HD21 ASN 61 23.033 26.491 18.169 174 HD22 ASN 61 HD22 ASN 61 23.533 28.104 18.354 175 H ARG 62 H ARG 62 17.754 26.713 16.814 176 HA ARG 62 HA ARG 62 17.741 28.886 18.814 177 HB2 ARG 62 HB2 ARG 62 15.397 27.990 17.119 178 HB3 ARG 62 HB3 ARG 62 15.291 29.107 18.479 179 HG2 ARG 62 HG2 ARG 62 16.898 30.619 17.326 180 HG3 ARG 62 HG3 ARG 62 16.896 29.525 15.942 181 HD2 ARG 62 HD2 ARG 62 14.395 29.823 15.814 182 HD3 ARG 62 HD3 ARG 62 14.539 31.071 17.048 183 HE ARG 62 HE ARG 62 16.303 31.542 14.838 184 HH11 ARG 62 HH11 ARG 62 12.960 31.905 15.851 185 HH12 ARG 62 HH12 ARG 62 12.669 33.220 14.762 186 HH21 ARG 62 HH21 ARG 62 15.868 33.238 13.456 187 HH22 ARG 62 HH22 ARG 62 14.295 33.964 13.424 188 H LEU 63 H LEU 63 16.419 28.398 20.712 189 HA LEU 63 HA LEU 63 16.311 25.498 21.239 190 HB2 LEU 63 HB2 LEU 63 17.601 27.065 22.765 191 HB3 LEU 63 HB3 LEU 63 16.046 27.745 23.244 192 HG LEU 63 HG LEU 63 16.417 24.767 23.334 193 HD11 LEU 63 HD11 LEU 63 17.200 25.030 25.707 194 HD12 LEU 63 HD12 LEU 63 17.427 26.750 25.391 195 HD13 LEU 63 HD13 LEU 63 18.383 25.558 24.510 196 HD21 LEU 63 HD21 LEU 63 14.731 26.862 24.688 197 HD22 LEU 63 HD22 LEU 63 14.963 25.289 25.452 198 HD23 LEU 63 HD23 LEU 63 14.217 25.393 23.858 199 H PHE 64 H PHE 64 14.400 24.506 21.224 200 HA PHE 64 HA PHE 64 11.955 26.128 21.225 201 HB2 PHE 64 HB2 PHE 64 12.442 23.228 20.548 202 HB3 PHE 64 HB3 PHE 64 10.870 24.004 20.509 203 HD1 PHE 64 HD2 PHE 64 10.399 25.789 18.832 204 HD2 PHE 64 HD1 PHE 64 14.057 23.537 18.806 205 HE1 PHE 64 HE2 PHE 64 10.840 26.531 16.506 206 HE2 PHE 64 HE1 PHE 64 14.497 24.278 16.481 207 HZ PHE 64 HZ PHE 64 12.888 25.775 15.331 208 H TYR 65 H TYR 65 10.572 26.182 22.897 209 HA TYR 65 HA TYR 65 10.764 24.052 24.957 210 HB2 TYR 65 HB2 TYR 65 11.478 26.352 25.707 211 HB3 TYR 65 HB3 TYR 65 9.840 26.894 25.392 212 HD1 TYR 65 HD2 TYR 65 11.983 24.791 27.531 213 HD2 TYR 65 HD1 TYR 65 8.006 26.276 26.869 214 HE1 TYR 65 HE2 TYR 65 11.320 24.026 29.795 215 HE2 TYR 65 HE1 TYR 65 7.344 25.510 29.134 216 HH TYR 65 HH TYR 65 8.158 24.701 31.100 217 H THR 66 H THR 66 8.834 23.140 25.654 218 HA THR 66 HA THR 66 6.515 23.730 23.919 219 HB THR 66 HB THR 66 7.060 21.250 25.565 220 HG1 THR 66 HG1 THR 66 7.585 21.884 22.914 221 HG21 THR 66 HG21 THR 66 4.945 22.117 23.619 222 HG22 THR 66 HG22 THR 66 4.768 21.249 25.144 223 HG23 THR 66 HG23 THR 66 5.382 20.411 23.719 224 H LEU 67 H LEU 67 4.536 24.172 24.737 225 HA LEU 67 HA LEU 67 4.371 24.976 27.523 226 HB2 LEU 67 HB2 LEU 67 2.430 25.137 25.208 227 HB3 LEU 67 HB3 LEU 67 2.085 25.761 26.817 228 HG LEU 67 HG LEU 67 4.484 26.602 25.167 229 HD11 LEU 67 HD11 LEU 67 1.683 27.677 25.357 230 HD12 LEU 67 HD12 LEU 67 2.707 27.495 23.934 231 HD13 LEU 67 HD13 LEU 67 3.026 28.787 25.089 232 HD21 LEU 67 HD21 LEU 67 4.984 27.104 27.398 233 HD22 LEU 67 HD22 LEU 67 3.295 27.392 27.815 234 HD23 LEU 67 HD23 LEU 67 4.185 28.587 26.873 235 H LYS 68 H LYS 68 3.447 23.848 29.109 236 HA LYS 68 HA LYS 68 1.745 21.525 28.415 237 HB2 LYS 68 HB2 LYS 68 4.038 20.838 29.141 238 HB3 LYS 68 HB3 LYS 68 3.748 21.647 30.682 239 HG2 LYS 68 HG2 LYS 68 1.750 20.205 31.032 240 HG3 LYS 68 HG3 LYS 68 2.129 19.354 29.535 241 HD2 LYS 68 HD2 LYS 68 4.376 18.786 30.492 242 HD3 LYS 68 HD3 LYS 68 3.858 19.501 32.019 243 HE2 LYS 68 HE2 LYS 68 2.186 17.377 30.696 244 HE3 LYS 68 HE3 LYS 68 3.574 16.929 31.689 245 HZ1 LYS 68 HZ1 LYS 68 2.617 18.298 33.484 246 HZ2 LYS 68 HZ2 LYS 68 1.625 16.990 33.050 247 HZ3 LYS 68 HZ3 LYS 68 1.240 18.560 32.529 248 H THR 69 H THR 69 -0.014 21.155 29.737 249 HA THR 69 HA THR 69 -1.295 23.327 30.889 250 HB THR 69 HB THR 69 -2.483 21.299 30.236 251 HG1 THR 69 HG1 THR 69 -2.702 21.705 32.979 252 HG21 THR 69 HG21 THR 69 -0.676 19.726 31.002 253 HG22 THR 69 HG22 THR 69 -2.297 19.244 31.501 254 HG23 THR 69 HG23 THR 69 -1.207 20.004 32.660 255 H GLY 70 H GLY 70 -1.331 24.278 32.839 256 HA2 GLY 70 HA2 GLY 70 -1.137 24.167 35.258 257 HA3 GLY 70 HA3 GLY 70 0.192 23.037 35.053 258 H GLU 71 H GLU 71 1.349 24.707 32.824 259 HA GLU 71 HA GLU 71 2.551 26.802 34.537 260 HB2 GLU 71 HB2 GLU 71 4.049 24.977 33.643 261 HB3 GLU 71 HB3 GLU 71 3.713 25.588 32.023 262 HG2 GLU 71 HG2 GLU 71 4.533 27.830 32.732 263 HG3 GLU 71 HG3 GLU 71 4.945 27.158 34.303 264 H THR 72 H THR 72 2.806 28.887 33.727 265 HA THR 72 HA THR 72 1.167 29.509 31.335 266 HB THR 72 HB THR 72 0.708 31.673 32.362 267 HG1 THR 72 HG1 THR 72 1.948 32.289 33.892 268 HG21 THR 72 HG21 THR 72 -0.654 30.904 34.261 269 HG22 THR 72 HG22 THR 72 0.242 29.385 34.297 270 HG23 THR 72 HG23 THR 72 -0.776 29.776 32.910 271 H VAL 73 H VAL 73 1.824 31.450 30.141 272 HA VAL 73 HA VAL 73 4.491 31.321 29.295 273 HB VAL 73 HB VAL 73 2.552 33.633 29.014 274 HG11 VAL 73 HG11 VAL 73 5.144 32.909 27.644 275 HG12 VAL 73 HG12 VAL 73 4.682 34.448 28.372 276 HG13 VAL 73 HG13 VAL 73 3.942 33.932 26.857 277 HG21 VAL 73 HG21 VAL 73 3.042 31.149 27.351 278 HG22 VAL 73 HG22 VAL 73 2.153 32.552 26.757 279 HG23 VAL 73 HG23 VAL 73 1.537 31.636 28.132 280 H ALA 74 H ALA 74 2.895 33.529 31.575 281 HA ALA 74 HA ALA 74 5.069 35.257 32.007 282 HB1 ALA 74 HB1 ALA 74 3.138 36.105 32.923 283 HB2 ALA 74 HB2 ALA 74 3.871 35.424 34.374 284 HB3 ALA 74 HB3 ALA 74 2.605 34.535 33.528 285 H ASP 75 H ASP 75 4.230 32.150 33.504 286 HA ASP 75 HA ASP 75 6.115 32.215 35.596 287 HB2 ASP 75 HB2 ASP 75 4.983 29.862 34.066 288 HB3 ASP 75 HB3 ASP 75 5.909 29.731 35.558 289 H LEU 76 H LEU 76 6.346 30.965 32.279 290 HA LEU 76 HA LEU 76 8.962 29.960 32.417 291 HB2 LEU 76 HB2 LEU 76 7.397 31.137 30.115 292 HB3 LEU 76 HB3 LEU 76 8.987 30.400 29.919 293 HG LEU 76 HG LEU 76 6.787 28.908 31.332 294 HD11 LEU 76 HD11 LEU 76 6.435 27.815 29.023 295 HD12 LEU 76 HD12 LEU 76 7.217 29.251 28.361 296 HD13 LEU 76 HD13 LEU 76 5.714 29.406 29.271 297 HD21 LEU 76 HD21 LEU 76 8.108 27.006 30.804 298 HD22 LEU 76 HD22 LEU 76 9.284 28.237 31.265 299 HD23 LEU 76 HD23 LEU 76 9.007 27.876 29.561 300 H SER 77 H SER 77 7.775 33.195 31.614 301 HA SER 77 HA SER 77 10.220 34.338 30.841 302 HB2 SER 77 HB2 SER 77 7.906 35.321 30.545 303 HB3 SER 77 HB3 SER 77 7.964 35.778 32.244 304 HG SER 77 HG SER 77 10.006 36.455 30.495 305 H LYS 78 H LYS 78 8.690 34.102 34.030 306 HA LYS 78 HA LYS 78 10.518 35.740 35.416 307 HB2 LYS 78 HB2 LYS 78 8.298 35.016 36.289 308 HB3 LYS 78 HB3 LYS 78 8.954 33.395 36.516 309 HG2 LYS 78 HG2 LYS 78 10.712 34.343 38.001 310 HG3 LYS 78 HG3 LYS 78 9.967 35.933 37.829 311 HD2 LYS 78 HD2 LYS 78 7.833 34.969 38.724 312 HD3 LYS 78 HD3 LYS 78 8.695 33.460 39.033 313 HE2 LYS 78 HE2 LYS 78 10.105 34.462 40.651 314 HE3 LYS 78 HE3 LYS 78 9.692 36.093 40.122 315 HZ1 LYS 78 HZ1 LYS 78 7.730 34.206 41.299 316 HZ2 LYS 78 HZ2 LYS 78 7.513 35.861 40.988 317 HZ3 LYS 78 HZ3 LYS 78 8.581 35.357 42.209 318 H SER 79 H SER 79 10.445 32.216 34.936 319 HA SER 79 HA SER 79 12.667 31.608 36.553 320 HB2 SER 79 HB2 SER 79 11.018 29.945 35.674 321 HB3 SER 79 HB3 SER 79 11.752 30.119 34.084 322 HG SER 79 HG SER 79 12.781 29.007 36.386 323 H GLN 80 H GLN 80 12.442 32.324 33.089 324 HA GLN 80 HA GLN 80 15.254 31.959 32.631 325 HB2 GLN 80 HB2 GLN 80 13.085 33.188 30.926 326 HB3 GLN 80 HB3 GLN 80 14.735 32.881 30.382 327 HG2 GLN 80 HG2 GLN 80 14.476 30.493 30.826 328 HG3 GLN 80 HG3 GLN 80 12.859 30.765 31.472 329 HE21 GLN 80 HE21 GLN 80 13.293 29.017 29.254 330 HE22 GLN 80 HE22 GLN 80 12.584 29.712 27.878 331 H ASP 81 H ASP 81 13.621 34.511 34.115 332 HA ASP 81 HA ASP 81 14.202 36.674 34.616 333 HB2 ASP 81 HB2 ASP 81 16.342 35.496 35.233 334 HB3 ASP 81 HB3 ASP 81 16.955 35.901 33.632 335 H ILE 82 H ILE 82 13.011 36.246 32.142 336 HA ILE 82 HA ILE 82 14.351 38.240 30.407 337 HB ILE 82 HB ILE 82 12.436 36.035 29.590 338 HG12 ILE 82 HG12 ILE 82 15.414 36.297 29.068 339 HG13 ILE 82 HG13 ILE 82 14.720 35.256 30.311 340 HG21 ILE 82 HG21 ILE 82 14.075 38.001 27.957 341 HG22 ILE 82 HG22 ILE 82 12.324 38.048 28.163 342 HG23 ILE 82 HG23 ILE 82 13.074 36.707 27.299 343 HD11 ILE 82 HD11 ILE 82 15.028 33.832 28.437 344 HD12 ILE 82 HD12 ILE 82 14.406 35.044 27.316 345 HD13 ILE 82 HD13 ILE 82 13.308 34.225 28.427 346 H ASN 83 H ASN 83 13.040 39.850 29.471 347 HA ASN 83 HA ASN 83 10.712 40.542 31.062 348 HB2 ASN 83 HB2 ASN 83 12.072 41.958 28.760 349 HB3 ASN 83 HB3 ASN 83 10.728 42.618 29.689 350 HD21 ASN 83 HD21 ASN 83 13.382 43.823 29.577 351 HD22 ASN 83 HD22 ASN 83 14.023 43.767 31.148 352 H LEU 84 H LEU 84 8.607 40.545 30.403 353 HA LEU 84 HA LEU 84 7.767 38.733 28.446 354 HB2 LEU 84 HB2 LEU 84 6.243 41.098 29.567 355 HB3 LEU 84 HB3 LEU 84 5.532 39.719 28.730 356 HG LEU 84 HG LEU 84 7.145 39.535 31.293 357 HD11 LEU 84 HD11 LEU 84 5.137 40.525 31.979 358 HD12 LEU 84 HD12 LEU 84 4.756 38.808 32.114 359 HD13 LEU 84 HD13 LEU 84 4.199 39.729 30.717 360 HD21 LEU 84 HD21 LEU 84 6.080 37.218 31.300 361 HD22 LEU 84 HD22 LEU 84 7.309 37.476 30.062 362 HD23 LEU 84 HD23 LEU 84 5.600 37.526 29.632 363 H SER 85 H SER 85 8.306 42.227 28.233 364 HA SER 85 HA SER 85 7.127 42.664 25.718 365 HB2 SER 85 HB2 SER 85 7.926 44.451 27.291 366 HB3 SER 85 HB3 SER 85 9.577 44.050 26.829 367 HG SER 85 HG SER 85 9.201 44.922 24.935 368 H THR 86 H THR 86 10.418 41.676 26.613 369 HA THR 86 HA THR 86 11.529 41.735 24.021 370 HB THR 86 HB THR 86 12.283 39.888 26.298 371 HG1 THR 86 HG1 THR 86 12.250 42.115 26.817 372 HG21 THR 86 HG21 THR 86 13.986 41.053 24.085 373 HG22 THR 86 HG22 THR 86 13.247 39.454 23.995 374 HG23 THR 86 HG23 THR 86 14.440 39.806 25.245 375 H ILE 87 H ILE 87 9.917 39.136 25.825 376 HA ILE 87 HA ILE 87 10.389 37.046 24.017 377 HB ILE 87 HB ILE 87 7.972 37.451 25.802 378 HG12 ILE 87 HG12 ILE 87 10.558 35.960 26.344 379 HG13 ILE 87 HG13 ILE 87 10.208 37.577 26.954 380 HG21 ILE 87 HG21 ILE 87 9.200 34.915 24.671 381 HG22 ILE 87 HG22 ILE 87 7.725 35.672 24.068 382 HG23 ILE 87 HG23 ILE 87 7.773 35.015 25.703 383 HD11 ILE 87 HD11 ILE 87 9.664 35.895 28.659 384 HD12 ILE 87 HD12 ILE 87 8.588 35.078 27.526 385 HD13 ILE 87 HD13 ILE 87 8.196 36.697 28.102 386 H TRP 88 H TRP 88 7.687 39.342 24.225 387 HA TRP 88 HA TRP 88 6.177 38.337 22.085 388 HB2 TRP 88 HB2 TRP 88 5.339 39.999 23.692 389 HB3 TRP 88 HB3 TRP 88 6.425 41.198 23.015 390 HD1 TRP 88 HD1 TRP 88 3.600 38.873 21.739 391 HE1 TRP 88 HE1 TRP 88 2.221 40.179 19.999 392 HE3 TRP 88 HE3 TRP 88 6.224 43.253 21.644 393 HZ2 TRP 88 HZ2 TRP 88 2.230 42.748 18.730 394 HZ3 TRP 88 HZ3 TRP 88 5.520 45.108 20.164 395 HH2 TRP 88 HH2 TRP 88 3.530 44.863 18.708 396 H SER 89 H SER 89 8.717 40.849 22.086 397 HA SER 89 HA SER 89 8.455 41.691 19.456 398 HB2 SER 89 HB2 SER 89 10.708 42.535 19.634 399 HB3 SER 89 HB3 SER 89 9.920 42.728 21.196 400 HG SER 89 HG SER 89 11.038 40.964 21.890 401 H LEU 90 H LEU 90 10.321 38.939 20.715 402 HA LEU 90 HA LEU 90 11.413 38.218 18.176 403 HB2 LEU 90 HB2 LEU 90 11.024 36.532 20.660 404 HB3 LEU 90 HB3 LEU 90 12.058 36.128 19.291 405 HG LEU 90 HG LEU 90 12.371 38.617 20.994 406 HD11 LEU 90 HD11 LEU 90 12.855 36.251 22.015 407 HD12 LEU 90 HD12 LEU 90 14.062 37.524 22.192 408 HD13 LEU 90 HD13 LEU 90 14.267 36.280 20.958 409 HD21 LEU 90 HD21 LEU 90 13.950 37.385 18.725 410 HD22 LEU 90 HD22 LEU 90 14.656 38.568 19.827 411 HD23 LEU 90 HD23 LEU 90 13.278 39.014 18.818 412 H ASN 91 H ASN 91 8.721 36.852 20.091 413 HA ASN 91 HA ASN 91 8.093 35.000 17.948 414 HB2 ASN 91 HB2 ASN 91 6.864 35.440 20.666 415 HB3 ASN 91 HB3 ASN 91 6.339 34.197 19.531 416 HD21 ASN 91 HD21 ASN 91 9.448 35.375 20.971 417 HD22 ASN 91 HD22 ASN 91 10.096 33.817 21.166 418 H LYS 92 H LYS 92 7.351 38.174 18.180 419 HA LYS 92 HA LYS 92 4.647 38.455 17.859 420 HB2 LYS 92 HB2 LYS 92 5.142 40.433 16.478 421 HB3 LYS 92 HB3 LYS 92 6.157 40.349 17.912 422 HG2 LYS 92 HG2 LYS 92 7.814 40.780 16.393 423 HG3 LYS 92 HG3 LYS 92 7.764 39.033 16.194 424 HD2 LYS 92 HD2 LYS 92 6.291 39.263 14.248 425 HD3 LYS 92 HD3 LYS 92 6.217 41.007 14.488 426 HE2 LYS 92 HE2 LYS 92 8.679 41.126 14.163 427 HE3 LYS 92 HE3 LYS 92 8.697 39.394 13.835 428 HZ1 LYS 92 HZ1 LYS 92 8.609 40.761 11.808 429 HZ2 LYS 92 HZ2 LYS 92 7.108 41.381 12.307 430 HZ3 LYS 92 HZ3 LYS 92 7.272 39.728 11.954 431 H HIS 93 H HIS 93 6.857 36.956 15.592 432 HA HIS 93 HA HIS 93 5.034 37.081 13.372 433 HB2 HIS 93 HB2 HIS 93 6.601 35.741 12.197 434 HB3 HIS 93 HB3 HIS 93 7.506 36.904 13.140 435 HD1 HIS 93 HD1 HIS 93 8.841 35.940 15.237 436 HD2 HIS 93 HD2 HIS 93 7.098 33.056 12.778 437 HE1 HIS 93 HE1 HIS 93 9.945 33.745 15.817 438 H LEU 94 H LEU 94 5.765 34.718 15.898 439 HA LEU 94 HA LEU 94 4.255 32.585 14.762 440 HB2 LEU 94 HB2 LEU 94 4.986 33.087 17.656 441 HB3 LEU 94 HB3 LEU 94 4.426 31.558 16.982 442 HG LEU 94 HG LEU 94 6.933 33.013 16.098 443 HD11 LEU 94 HD11 LEU 94 6.861 30.406 17.598 444 HD12 LEU 94 HD12 LEU 94 6.798 31.931 18.480 445 HD13 LEU 94 HD13 LEU 94 8.182 31.564 17.453 446 HD21 LEU 94 HD21 LEU 94 6.083 31.656 14.304 447 HD22 LEU 94 HD22 LEU 94 5.703 30.332 15.405 448 HD23 LEU 94 HD23 LEU 94 7.385 30.733 15.054 449 H TYR 95 H TYR 95 3.489 35.111 17.132 450 HA TYR 95 HA TYR 95 0.642 34.287 17.007 451 HB2 TYR 95 HB2 TYR 95 2.124 35.663 19.249 452 HB3 TYR 95 HB3 TYR 95 0.416 35.264 19.246 453 HD1 TYR 95 HD2 TYR 95 -0.280 32.834 19.196 454 HD2 TYR 95 HD1 TYR 95 3.784 34.069 19.835 455 HE1 TYR 95 HE2 TYR 95 0.255 30.596 20.118 456 HE2 TYR 95 HE1 TYR 95 4.319 31.829 20.758 457 HH TYR 95 HH TYR 95 3.426 29.573 20.711 458 H SER 96 H SER 96 -0.934 35.903 16.914 459 HA SER 96 HA SER 96 -0.217 38.095 15.235 460 HB2 SER 96 HB2 SER 96 -2.836 37.565 16.653 461 HB3 SER 96 HB3 SER 96 -2.584 38.652 15.292 462 HG SER 96 HG SER 96 -1.985 35.930 15.227 463 H SER 97 H SER 97 -1.131 37.830 18.657 464 HA SER 97 HA SER 97 -0.058 40.495 19.143 465 HB2 SER 97 HB2 SER 97 -2.079 41.403 20.085 466 HB3 SER 97 HB3 SER 97 -2.449 40.832 18.463 467 HG SER 97 HG SER 97 -3.952 40.084 19.956 468 H GLU 98 H GLU 98 -0.256 41.062 21.516 469 HA GLU 98 HA GLU 98 0.947 39.059 23.081 470 HB2 GLU 98 HB2 GLU 98 -0.439 41.617 23.913 471 HB3 GLU 98 HB3 GLU 98 0.563 40.627 24.976 472 HG2 GLU 98 HG2 GLU 98 2.464 40.908 23.401 473 HG3 GLU 98 HG3 GLU 98 1.464 41.958 22.406 474 H SER 99 H SER 99 -2.437 40.029 22.751 475 HA SER 99 HA SER 99 -3.484 38.882 25.071 476 HB2 SER 99 HB2 SER 99 -4.735 40.337 23.459 477 HB3 SER 99 HB3 SER 99 -4.828 38.963 22.363 478 HG SER 99 HG SER 99 -6.394 38.301 23.565 479 H GLU 100 H GLU 100 -2.910 37.414 21.882 480 HA GLU 100 HA GLU 100 -4.030 34.897 22.467 481 HB2 GLU 100 HB2 GLU 100 -1.859 35.684 20.516 482 HB3 GLU 100 HB3 GLU 100 -2.621 34.091 20.562 483 HG2 GLU 100 HG2 GLU 100 -4.840 35.170 20.258 484 HG3 GLU 100 HG3 GLU 100 -4.044 36.733 20.134 485 H MET 101 H MET 101 -0.798 36.207 23.072 486 HA MET 101 HA MET 101 0.442 33.772 23.813 487 HB2 MET 101 HB2 MET 101 1.010 36.613 24.687 488 HB3 MET 101 HB3 MET 101 2.067 35.237 25.002 489 HG2 MET 101 HG2 MET 101 2.156 34.824 22.524 490 HG3 MET 101 HG3 MET 101 1.261 36.325 22.291 491 HE1 MET 101 HE1 MET 101 4.384 34.525 23.280 492 HE2 MET 101 HE2 MET 101 4.161 35.289 24.852 493 HE3 MET 101 HE3 MET 101 5.530 35.749 23.843 494 H MET 102 H MET 102 -1.220 36.262 25.740 495 HA MET 102 HA MET 102 -0.787 35.125 28.267 496 HB2 MET 102 HB2 MET 102 -3.066 36.837 27.257 497 HB3 MET 102 HB3 MET 102 -2.791 36.451 28.957 498 HG2 MET 102 HG2 MET 102 -0.514 37.446 28.783 499 HG3 MET 102 HG3 MET 102 -0.871 37.909 27.119 500 HE1 MET 102 HE1 MET 102 0.109 39.965 29.168 501 HE2 MET 102 HE2 MET 102 -0.975 41.324 28.873 502 HE3 MET 102 HE3 MET 102 -0.373 40.374 27.517 503 H LYS 103 H LYS 103 -3.299 34.513 25.866 504 HA LYS 103 HA LYS 103 -4.694 32.666 27.650 505 HB2 LYS 103 HB2 LYS 103 -5.296 33.408 24.782 506 HB3 LYS 103 HB3 LYS 103 -6.346 32.504 25.869 507 HG2 LYS 103 HG2 LYS 103 -5.398 35.346 26.345 508 HG3 LYS 103 HG3 LYS 103 -6.986 34.905 25.717 509 HD2 LYS 103 HD2 LYS 103 -7.344 33.537 27.808 510 HD3 LYS 103 HD3 LYS 103 -5.847 34.223 28.441 511 HE2 LYS 103 HE2 LYS 103 -6.765 36.490 28.216 512 HE3 LYS 103 HE3 LYS 103 -8.259 35.828 27.550 513 HZ1 LYS 103 HZ1 LYS 103 -8.563 36.245 29.869 514 HZ2 LYS 103 HZ2 LYS 103 -7.167 35.365 30.271 515 HZ3 LYS 103 HZ3 LYS 103 -8.524 34.565 29.636 516 H ALA 104 H ALA 104 -1.914 32.152 26.222 517 HA ALA 104 HA ALA 104 -2.162 30.123 24.352 518 HB1 ALA 104 HB1 ALA 104 -0.003 31.048 24.807 519 HB2 ALA 104 HB2 ALA 104 0.071 29.341 25.244 520 HB3 ALA 104 HB3 ALA 104 -0.086 30.567 26.501 521 H ALA 105 H ALA 105 -2.267 27.904 24.439 522 HA ALA 105 HA ALA 105 -3.072 26.707 27.025 523 HB1 ALA 105 HB1 ALA 105 -5.097 26.689 25.906 524 HB2 ALA 105 HB2 ALA 105 -4.426 25.145 25.382 525 HB3 ALA 105 HB3 ALA 105 -4.340 26.549 24.319 526 HA PRO 106 HA PRO 106 -0.090 23.530 26.485 527 HB2 PRO 106 HB2 PRO 106 -2.159 21.391 26.427 528 HB3 PRO 106 HB3 PRO 106 -0.772 21.596 27.515 529 HG2 PRO 106 HG2 PRO 106 -3.254 22.068 28.334 530 HG3 PRO 106 HG3 PRO 106 -1.888 23.054 28.889 531 HD2 PRO 106 HD2 PRO 106 -3.997 23.732 26.876 532 HD3 PRO 106 HD3 PRO 106 -3.186 24.782 28.061 533 H GLY 107 H GLY 107 0.964 22.397 24.875 534 HA2 GLY 107 HA2 GLY 107 1.005 20.998 22.929 535 HA3 GLY 107 HA3 GLY 107 -0.559 21.645 22.467 536 H GLN 108 H GLN 108 0.731 24.433 23.241 537 HA GLN 108 HA GLN 108 1.624 24.938 20.509 538 HB2 GLN 108 HB2 GLN 108 1.064 26.798 22.826 539 HB3 GLN 108 HB3 GLN 108 1.606 27.334 21.232 540 HG2 GLN 108 HG2 GLN 108 -0.361 26.213 20.210 541 HG3 GLN 108 HG3 GLN 108 -0.920 25.763 21.820 542 HE21 GLN 108 HE21 GLN 108 -0.698 28.401 19.522 543 HE22 GLN 108 HE22 GLN 108 -1.530 29.541 20.467 544 H GLN 109 H GLN 109 3.579 26.151 20.061 545 HA GLN 109 HA GLN 109 5.753 25.429 21.944 546 HB2 GLN 109 HB2 GLN 109 5.784 25.689 18.929 547 HB3 GLN 109 HB3 GLN 109 7.207 25.388 19.928 548 HG2 GLN 109 HG2 GLN 109 6.224 23.311 20.761 549 HG3 GLN 109 HG3 GLN 109 4.747 23.619 19.853 550 HE21 GLN 109 HE21 GLN 109 6.303 21.248 19.433 551 HE22 GLN 109 HE22 GLN 109 6.965 21.317 17.872 552 H ILE 110 H ILE 110 7.399 26.867 22.314 553 HA ILE 110 HA ILE 110 7.083 29.617 21.269 554 HB ILE 110 HB ILE 110 8.066 28.756 24.007 555 HG12 ILE 110 HG12 ILE 110 5.584 30.321 23.247 556 HG13 ILE 110 HG13 ILE 110 5.581 28.586 23.565 557 HG21 ILE 110 HG21 ILE 110 7.740 31.484 22.723 558 HG22 ILE 110 HG22 ILE 110 9.240 30.748 23.289 559 HG23 ILE 110 HG23 ILE 110 8.004 31.233 24.450 560 HD11 ILE 110 HD11 ILE 110 6.305 28.922 25.836 561 HD12 ILE 110 HD12 ILE 110 4.957 30.022 25.551 562 HD13 ILE 110 HD13 ILE 110 6.609 30.636 25.548 563 H ILE 111 H ILE 111 8.924 30.584 20.478 564 HA ILE 111 HA ILE 111 11.324 28.858 20.327 565 HB ILE 111 HB ILE 111 10.514 31.146 18.513 566 HG12 ILE 111 HG12 ILE 111 10.444 28.157 17.993 567 HG13 ILE 111 HG13 ILE 111 9.023 29.122 18.388 568 HG21 ILE 111 HG21 ILE 111 12.689 29.039 18.274 569 HG22 ILE 111 HG22 ILE 111 12.953 30.744 18.647 570 HG23 ILE 111 HG23 ILE 111 12.315 30.274 17.071 571 HD11 ILE 111 HD11 ILE 111 9.846 30.630 16.395 572 HD12 ILE 111 HD12 ILE 111 8.954 29.147 16.058 573 HD13 ILE 111 HD13 ILE 111 10.711 29.172 15.907 574 H LEU 112 H LEU 112 13.135 29.497 21.280 575 HA LEU 112 HA LEU 112 13.398 32.318 22.141 576 HB2 LEU 112 HB2 LEU 112 14.515 29.797 23.384 577 HB3 LEU 112 HB3 LEU 112 14.858 31.437 23.935 578 HG LEU 112 HG LEU 112 12.014 30.498 23.651 579 HD11 LEU 112 HD11 LEU 112 13.750 30.170 26.117 580 HD12 LEU 112 HD12 LEU 112 13.249 28.847 25.064 581 HD13 LEU 112 HD13 LEU 112 12.041 29.756 25.973 582 HD21 LEU 112 HD21 LEU 112 12.128 32.815 24.053 583 HD22 LEU 112 HD22 LEU 112 13.517 32.653 25.128 584 HD23 LEU 112 HD23 LEU 112 11.916 32.148 25.671 585 HA PRO 113 HA PRO 113 17.028 31.613 19.424 586 HB2 PRO 113 HB2 PRO 113 17.004 33.937 18.053 587 HB3 PRO 113 HB3 PRO 113 15.899 32.608 17.649 588 HG2 PRO 113 HG2 PRO 113 15.360 35.142 19.073 589 HG3 PRO 113 HG3 PRO 113 14.311 34.192 18.008 590 HD2 PRO 113 HD2 PRO 113 14.251 34.184 20.828 591 HD3 PRO 113 HD3 PRO 113 13.437 33.026 19.755 592 H LEU 114 H LEU 114 17.385 32.198 22.061 593 HA LEU 114 HA LEU 114 19.041 34.642 22.163 594 HB2 LEU 114 HB2 LEU 114 18.020 32.917 24.432 595 HB3 LEU 114 HB3 LEU 114 18.891 34.441 24.591 596 HG LEU 114 HG LEU 114 16.212 34.118 23.205 597 HD11 LEU 114 HD11 LEU 114 16.988 35.090 25.964 598 HD12 LEU 114 HD12 LEU 114 15.855 33.803 25.551 599 HD13 LEU 114 HD13 LEU 114 15.440 35.484 25.217 600 HD21 LEU 114 HD21 LEU 114 17.985 36.490 23.831 601 HD22 LEU 114 HD22 LEU 114 16.269 36.667 23.465 602 HD23 LEU 114 HD23 LEU 114 17.363 35.989 22.259 603 H LYS 115 H LYS 115 21.196 34.547 22.530 604 HA LYS 115 HA LYS 115 22.417 31.859 22.756 605 HB2 LYS 115 HB2 LYS 115 23.539 34.452 21.665 606 HB3 LYS 115 HB3 LYS 115 24.447 32.946 21.816 607 HG2 LYS 115 HG2 LYS 115 22.754 31.823 20.367 608 HG3 LYS 115 HG3 LYS 115 21.954 33.379 20.145 609 HD2 LYS 115 HD2 LYS 115 24.089 34.300 19.231 610 HD3 LYS 115 HD3 LYS 115 24.794 32.687 19.344 611 HE2 LYS 115 HE2 LYS 115 23.997 32.991 17.080 612 HE3 LYS 115 HE3 LYS 115 22.926 31.844 17.885 613 HZ1 LYS 115 HZ1 LYS 115 22.332 34.410 16.804 614 HZ2 LYS 115 HZ2 LYS 115 21.875 34.315 18.438 615 HZ3 LYS 115 HZ3 LYS 115 21.273 33.187 17.318 616 H LYS 116 H LYS 116 23.480 31.363 24.561 617 HA LYS 116 HA LYS 116 23.527 33.044 26.822 618 HB2 LYS 116 HB2 LYS 116 25.266 30.630 26.265 619 HB3 LYS 116 HB3 LYS 116 24.935 31.334 27.846 620 HG2 LYS 116 HG2 LYS 116 22.830 30.179 25.995 621 HG3 LYS 116 HG3 LYS 116 23.519 29.340 27.383 622 HD2 LYS 116 HD2 LYS 116 22.735 31.252 28.828 623 HD3 LYS 116 HD3 LYS 116 21.885 31.891 27.420 624 HE2 LYS 116 HE2 LYS 116 20.371 30.121 27.356 625 HE3 LYS 116 HE3 LYS 116 21.449 29.035 28.233 626 HZ1 LYS 116 HZ1 LYS 116 19.821 31.261 29.292 627 HZ2 LYS 116 HZ2 LYS 116 21.150 30.649 30.157 628 HZ3 LYS 116 HZ3 LYS 116 19.838 29.636 29.781 629 H LEU 117 H LEU 117 25.925 32.447 24.305 630 HA LEU 117 HA LEU 117 27.735 34.397 25.615 631 HB2 LEU 117 HB2 LEU 117 28.556 32.015 25.514 632 HB3 LEU 117 HB3 LEU 117 28.557 32.164 23.756 633 HG LEU 117 HG LEU 117 29.954 34.333 24.198 634 HD11 LEU 117 HD11 LEU 117 30.812 32.798 26.638 635 HD12 LEU 117 HD12 LEU 117 29.486 33.954 26.752 636 HD13 LEU 117 HD13 LEU 117 31.085 34.494 26.241 637 HD21 LEU 117 HD21 LEU 117 30.719 32.150 23.151 638 HD22 LEU 117 HD22 LEU 117 31.242 31.647 24.758 639 HD23 LEU 117 HD23 LEU 117 31.983 33.051 23.989 640 HA PRO 118 HA PRO 118 26.460 36.265 21.571 641 HB2 PRO 118 HB2 PRO 118 26.980 38.866 22.358 642 HB3 PRO 118 HB3 PRO 118 25.414 38.056 22.541 643 HG2 PRO 118 HG2 PRO 118 27.553 38.505 24.550 644 HG3 PRO 118 HG3 PRO 118 25.790 38.562 24.737 645 HD2 PRO 118 HD2 PRO 118 27.254 36.438 25.574 646 HD3 PRO 118 HD3 PRO 118 25.594 36.263 24.962 647 H PHE 119 H PHE 119 28.354 35.253 20.692 648 HA PHE 119 HA PHE 119 31.003 36.040 21.148 649 HB2 PHE 119 HB2 PHE 119 30.306 33.984 19.957 650 HB3 PHE 119 HB3 PHE 119 29.804 34.967 18.593 651 HD1 PHE 119 HD1 PHE 119 32.700 33.776 20.565 652 HD2 PHE 119 HD2 PHE 119 31.412 35.868 17.041 653 HE1 PHE 119 HE1 PHE 119 35.004 33.664 19.656 654 HE2 PHE 119 HE2 PHE 119 33.717 35.757 16.133 655 HZ PHE 119 HZ PHE 119 35.513 34.654 17.440 656 H GLU 120 H GLU 120 28.571 37.322 18.923 657 HA GLU 120 HA GLU 120 30.390 38.936 17.428 658 HB2 GLU 120 HB2 GLU 120 28.139 38.163 16.630 659 HB3 GLU 120 HB3 GLU 120 27.407 39.316 17.745 660 HG2 GLU 120 HG2 GLU 120 28.677 41.146 16.640 661 HG3 GLU 120 HG3 GLU 120 29.319 39.982 15.489 662 H TYR 121 H TYR 121 31.254 40.836 17.914 663 HA TYR 121 HA TYR 121 30.965 42.042 20.446 664 HB2 TYR 121 HB2 TYR 121 32.972 42.244 19.023 665 HB3 TYR 121 HB3 TYR 121 32.061 43.235 17.899 666 HD1 TYR 121 HD1 TYR 121 33.518 43.073 21.297 667 HD2 TYR 121 HD2 TYR 121 31.623 45.560 18.351 668 HE1 TYR 121 HE1 TYR 121 34.116 45.088 22.613 669 HE2 TYR 121 HE2 TYR 121 32.221 47.575 19.668 670 HH TYR 121 HH TYR 121 33.184 47.494 22.780 671 H SER 122 H SER 122 29.505 42.771 17.310 672 HA SER 122 HA SER 122 28.452 45.292 17.874 673 HB2 SER 122 HB2 SER 122 27.023 44.971 16.004 674 HB3 SER 122 HB3 SER 122 28.484 44.058 15.644 675 HG SER 122 HG SER 122 26.244 43.063 15.516 676 H ALA 123 H ALA 123 26.183 45.876 18.268 677 HA ALA 123 HA ALA 123 24.728 43.944 19.955 678 HB1 ALA 123 HB1 ALA 123 26.188 45.530 21.328 679 HB2 ALA 123 HB2 ALA 123 24.473 45.483 21.741 680 HB3 ALA 123 HB3 ALA 123 25.114 46.819 20.784 681 H LEU 124 H LEU 124 22.499 44.400 20.206 682 HA LEU 124 HA LEU 124 21.380 46.293 18.219 683 HB2 LEU 124 HB2 LEU 124 20.413 43.510 18.909 684 HB3 LEU 124 HB3 LEU 124 19.566 44.645 17.856 685 HG LEU 124 HG LEU 124 22.413 43.736 17.372 686 HD11 LEU 124 HD11 LEU 124 21.420 42.292 15.600 687 HD12 LEU 124 HD12 LEU 124 19.813 42.708 16.194 688 HD13 LEU 124 HD13 LEU 124 20.924 41.799 17.218 689 HD21 LEU 124 HD21 LEU 124 22.050 45.757 16.213 690 HD22 LEU 124 HD22 LEU 124 20.367 45.360 15.865 691 HD23 LEU 124 HD23 LEU 124 21.665 44.529 15.007 692 HA PRO 125 HA PRO 125 19.851 47.600 22.422 693 HB2 PRO 125 HB2 PRO 125 18.658 49.641 20.582 694 HB3 PRO 125 HB3 PRO 125 19.404 49.859 22.178 695 HG2 PRO 125 HG2 PRO 125 20.709 50.466 19.942 696 HG3 PRO 125 HG3 PRO 125 21.537 49.777 21.350 697 HD2 PRO 125 HD2 PRO 125 20.905 48.502 18.747 698 HD3 PRO 125 HD3 PRO 125 22.188 48.117 19.914 699 H LEU 126 H LEU 126 18.101 47.153 19.382 700 HA LEU 126 HA LEU 126 15.468 47.318 20.315 701 HB2 LEU 126 HB2 LEU 126 16.556 45.489 18.160 702 HB3 LEU 126 HB3 LEU 126 14.869 45.959 18.366 703 HG LEU 126 HG LEU 126 17.148 47.895 17.854 704 HD11 LEU 126 HD11 LEU 126 15.058 46.674 16.036 705 HD12 LEU 126 HD12 LEU 126 16.811 46.617 15.852 706 HD13 LEU 126 HD13 LEU 126 15.948 48.137 15.620 707 HD21 LEU 126 HD21 LEU 126 14.172 48.168 18.247 708 HD22 LEU 126 HD22 LEU 126 15.049 49.342 17.266 709 HD23 LEU 126 HD23 LEU 126 15.472 49.119 18.963 710 H LEU 127 H LEU 127 17.636 44.504 20.136 711 HA LEU 127 HA LEU 127 15.799 43.005 21.883 712 HB2 LEU 127 HB2 LEU 127 16.672 41.909 19.813 713 HB3 LEU 127 HB3 LEU 127 18.302 42.047 20.472 714 HG LEU 127 HG LEU 127 17.451 40.796 22.520 715 HD11 LEU 127 HD11 LEU 127 15.081 41.074 22.294 716 HD12 LEU 127 HD12 LEU 127 15.405 39.366 22.000 717 HD13 LEU 127 HD13 LEU 127 15.100 40.451 20.644 718 HD21 LEU 127 HD21 LEU 127 17.491 38.580 21.316 719 HD22 LEU 127 HD22 LEU 127 18.821 39.653 20.878 720 HD23 LEU 127 HD23 LEU 127 17.444 39.468 19.792 721 H GLY 128 H GLY 128 16.210 42.823 23.998 722 HA2 GLY 128 HA2 GLY 128 18.765 43.871 25.009 723 HA3 GLY 128 HA3 GLY 128 17.287 43.675 25.945 724 H SER 129 H SER 129 20.110 42.715 26.339 725 HA SER 129 HA SER 129 19.472 39.852 26.767 726 HB2 SER 129 HB2 SER 129 22.176 41.064 26.140 727 HB3 SER 129 HB3 SER 129 21.859 39.366 26.475 728 HG SER 129 HG SER 129 21.205 40.879 24.273 729 H ALA 130 H ALA 130 20.277 38.927 28.699 730 HA ALA 130 HA ALA 130 21.106 40.888 30.763 731 HB1 ALA 130 HB1 ALA 130 19.817 39.522 32.385 732 HB2 ALA 130 HB2 ALA 130 19.233 38.526 31.050 733 HB3 ALA 130 HB3 ALA 130 18.792 40.232 31.138 734 HA PRO 131 HA PRO 131 24.334 37.515 30.388 735 HB2 PRO 131 HB2 PRO 131 26.068 39.795 31.192 736 HB3 PRO 131 HB3 PRO 131 26.310 38.586 29.918 737 HG2 PRO 131 HG2 PRO 131 25.655 41.095 29.343 738 HG3 PRO 131 HG3 PRO 131 25.031 39.729 28.398 739 HD2 PRO 131 HD2 PRO 131 23.624 41.383 30.463 740 HD3 PRO 131 HD3 PRO 131 22.990 40.673 28.961 741 H LEU 132 H LEU 132 23.729 36.393 32.219 742 HA LEU 132 HA LEU 132 23.505 37.429 34.816 743 HB2 LEU 132 HB2 LEU 132 24.206 34.601 33.993 744 HB3 LEU 132 HB3 LEU 132 23.578 35.098 35.564 745 HG LEU 132 HG LEU 132 22.132 35.494 32.926 746 HD11 LEU 132 HD11 LEU 132 21.807 33.438 35.130 747 HD12 LEU 132 HD12 LEU 132 22.205 33.132 33.439 748 HD13 LEU 132 HD13 LEU 132 20.602 33.724 33.874 749 HD21 LEU 132 HD21 LEU 132 21.427 37.165 34.497 750 HD22 LEU 132 HD22 LEU 132 21.404 36.001 35.822 751 HD23 LEU 132 HD23 LEU 132 20.196 35.903 34.541 752 H VAL 133 H VAL 133 26.283 36.046 33.114 753 HA VAL 133 HA VAL 133 28.027 35.845 35.320 754 HB VAL 133 HB VAL 133 28.707 36.390 32.418 755 HG11 VAL 133 HG11 VAL 133 30.882 35.434 32.958 756 HG12 VAL 133 HG12 VAL 133 30.373 35.131 34.619 757 HG13 VAL 133 HG13 VAL 133 30.567 36.787 34.044 758 HG21 VAL 133 HG21 VAL 133 27.288 34.363 32.822 759 HG22 VAL 133 HG22 VAL 133 28.531 33.759 33.918 760 HG23 VAL 133 HG23 VAL 133 28.893 33.974 32.205 761 H ALA 134 H ALA 134 27.357 38.511 33.078 762 HA ALA 134 HA ALA 134 29.355 40.274 34.019 763 HB1 ALA 134 HB1 ALA 134 26.678 41.095 32.883 764 HB2 ALA 134 HB2 ALA 134 27.999 40.490 31.883 765 HB3 ALA 134 HB3 ALA 134 28.204 41.978 32.808 766 H ALA 135 H ALA 135 29.284 41.952 35.509 767 HA ALA 135 HA ALA 135 26.906 42.176 37.220 768 HB1 ALA 135 HB1 ALA 135 29.628 41.969 38.479 769 HB2 ALA 135 HB2 ALA 135 28.677 40.521 38.149 770 HB3 ALA 135 HB3 ALA 135 28.044 41.766 39.226 771 H GLY 136 H GLY 136 26.791 44.147 38.396 772 HA2 GLY 136 HA2 GLY 136 28.807 46.146 38.318 773 HA3 GLY 136 HA3 GLY 136 27.623 46.437 37.048 774 H GLY 137 H GLY 137 28.394 47.149 40.181 775 HA2 GLY 137 HA2 GLY 137 25.984 47.095 41.594 776 HA3 GLY 137 HA3 GLY 137 27.277 48.260 41.861 777 H VAL 138 H VAL 138 27.237 49.495 39.305 778 HA VAL 138 HA VAL 138 25.232 51.447 39.668 779 HB VAL 138 HB VAL 138 26.813 50.797 37.165 780 HG11 VAL 138 HG11 VAL 138 24.908 52.258 36.690 781 HG12 VAL 138 HG12 VAL 138 26.401 53.194 36.628 782 HG13 VAL 138 HG13 VAL 138 25.348 53.305 38.038 783 HG21 VAL 138 HG21 VAL 138 28.185 51.241 39.217 784 HG22 VAL 138 HG22 VAL 138 27.384 52.806 39.364 785 HG23 VAL 138 HG23 VAL 138 28.397 52.461 37.962 786 H ALA 139 H ALA 139 25.433 48.625 37.527 787 HA ALA 139 HA ALA 139 23.071 49.102 36.062 788 HB1 ALA 139 HB1 ALA 139 24.278 46.420 36.775 789 HB2 ALA 139 HB2 ALA 139 24.831 47.441 35.448 790 HB3 ALA 139 HB3 ALA 139 23.201 46.768 35.422 791 H GLY 140 H GLY 140 20.971 48.312 36.305 792 HA2 GLY 140 HA2 GLY 140 20.276 47.190 38.954 793 HA3 GLY 140 HA3 GLY 140 19.386 48.557 38.289 794 H HIS 141 H HIS 141 18.143 46.154 38.985 795 HA HIS 141 HA HIS 141 17.242 45.202 36.334 796 HB2 HIS 141 HB2 HIS 141 17.663 43.506 38.798 797 HB3 HIS 141 HB3 HIS 141 16.962 42.955 37.287 798 HD1 HIS 141 HD1 HIS 141 18.683 43.239 35.136 799 HD2 HIS 141 HD2 HIS 141 20.385 43.142 38.940 800 HE1 HIS 141 HE1 HIS 141 21.131 42.689 34.810 801 H THR 142 H THR 142 15.051 44.440 36.290 802 HA THR 142 HA THR 142 13.375 45.470 38.508 803 HB THR 142 HB THR 142 13.202 46.931 36.552 804 HG1 THR 142 HG1 THR 142 10.922 46.438 36.186 805 HG21 THR 142 HG21 THR 142 12.360 44.413 35.088 806 HG22 THR 142 HG22 THR 142 13.877 45.282 34.846 807 HG23 THR 142 HG23 THR 142 12.345 46.045 34.419 808 H ASN 143 H ASN 143 14.338 42.803 38.359 809 HA ASN 143 HA ASN 143 12.669 40.958 37.100 810 HB2 ASN 143 HB2 ASN 143 14.106 40.743 39.754 811 HB3 ASN 143 HB3 ASN 143 13.387 39.384 38.892 812 HD21 ASN 143 HD21 ASN 143 16.238 39.632 39.461 813 HD22 ASN 143 HD22 ASN 143 17.038 39.743 37.969 814 H GLY 144 H GLY 144 12.268 42.614 40.208 815 HA2 GLY 144 HA2 GLY 144 10.358 43.021 41.434 816 HA3 GLY 144 HA3 GLY 144 9.425 42.395 40.078 817 H SER 145 H SER 145 11.935 40.692 41.905 818 HA SER 145 HA SER 145 9.907 38.674 42.668 819 HB2 SER 145 HB2 SER 145 11.744 37.884 41.184 820 HB3 SER 145 HB3 SER 145 12.906 38.356 42.420 821 HG SER 145 HG SER 145 12.454 36.339 42.949 822 H GLY 146 H GLY 146 9.691 38.061 44.767 823 HA2 GLY 146 HA2 GLY 146 11.152 39.670 46.763 824 HA3 GLY 146 HA3 GLY 146 9.577 38.922 47.009 825 H SER 147 H SER 147 10.243 36.353 45.917 826 HA SER 147 HA SER 147 12.003 35.352 48.081 827 HB2 SER 147 HB2 SER 147 9.626 34.632 48.197 828 HB3 SER 147 HB3 SER 147 9.797 33.898 46.606 829 HG SER 147 HG SER 147 10.793 33.107 49.021 830 H GLU 148 H GLU 148 13.763 34.204 47.574 831 HA GLU 148 HA GLU 148 14.726 34.066 44.915 832 HB2 GLU 148 HB2 GLU 148 15.621 32.604 47.408 833 HB3 GLU 148 HB3 GLU 148 16.519 32.647 45.889 834 HG2 GLU 148 HG2 GLU 148 16.577 35.130 46.029 835 HG3 GLU 148 HG3 GLU 148 15.762 35.043 47.584 836 H ASN 149 H ASN 149 13.037 31.735 46.964 837 HA ASN 149 HA ASN 149 13.261 29.689 44.863 838 HB2 ASN 149 HB2 ASN 149 12.282 29.547 47.722 839 HB3 ASN 149 HB3 ASN 149 12.274 28.189 46.600 840 HD21 ASN 149 HD21 ASN 149 13.826 28.244 49.062 841 HD22 ASN 149 HD22 ASN 149 15.466 28.193 48.627 842 H LEU 150 H LEU 150 11.681 29.551 43.417 843 HA LEU 150 HA LEU 150 9.250 30.988 43.589 844 HB2 LEU 150 HB2 LEU 150 10.335 30.272 41.462 845 HB3 LEU 150 HB3 LEU 150 9.874 28.609 41.827 846 HG LEU 150 HG LEU 150 7.475 29.422 41.991 847 HD11 LEU 150 HD11 LEU 150 7.117 31.599 40.669 848 HD12 LEU 150 HD12 LEU 150 8.830 31.912 40.946 849 HD13 LEU 150 HD13 LEU 150 7.728 31.764 42.314 850 HD21 LEU 150 HD21 LEU 150 8.957 29.745 39.362 851 HD22 LEU 150 HD22 LEU 150 7.209 29.569 39.510 852 HD23 LEU 150 HD23 LEU 150 8.273 28.250 40.000 853 H TYR 151 H TYR 151 10.069 27.601 44.243 854 HA TYR 151 HA TYR 151 7.388 26.731 44.599 855 HB2 TYR 151 HB2 TYR 151 8.310 24.705 45.453 856 HB3 TYR 151 HB3 TYR 151 9.304 25.236 44.113 857 HD1 TYR 151 HD2 TYR 151 11.598 26.022 44.483 858 HD2 TYR 151 HD1 TYR 151 9.132 24.695 47.740 859 HE1 TYR 151 HE2 TYR 151 13.602 25.862 45.935 860 HE2 TYR 151 HE1 TYR 151 11.136 24.534 49.192 861 HH TYR 151 HH TYR 151 14.321 24.903 47.943 862 H PHE 152 H PHE 152 9.772 28.105 46.805 863 HA PHE 152 HA PHE 152 7.934 27.709 49.066 864 HB2 PHE 152 HB2 PHE 152 10.329 27.113 49.327 865 HB3 PHE 152 HB3 PHE 152 10.755 28.788 49.027 866 HD1 PHE 152 HD1 PHE 152 9.110 26.457 51.385 867 HD2 PHE 152 HD2 PHE 152 10.514 30.465 50.740 868 HE1 PHE 152 HE1 PHE 152 8.834 26.942 53.802 869 HE2 PHE 152 HE2 PHE 152 10.238 30.950 53.157 870 HZ PHE 152 HZ PHE 152 9.399 29.189 54.687 871 H GLN 153 H GLN 153 6.758 29.322 49.897 872 HA GLN 153 HA GLN 153 7.067 32.002 48.724 873 HB2 GLN 153 HB2 GLN 153 4.837 30.887 48.635 874 HB3 GLN 153 HB3 GLN 153 4.800 30.898 50.398 875 HG2 GLN 153 HG2 GLN 153 4.965 33.344 50.410 876 HG3 GLN 153 HG3 GLN 153 5.066 33.361 48.652 877 HE21 GLN 153 HE21 GLN 153 3.011 34.832 49.714 878 HE22 GLN 153 HE22 GLN 153 1.524 34.041 49.504 Start of MODEL 17 1 H1 MET 39 HT1 MET 39 54.522 34.107 13.960 2 H2 MET 39 HT2 MET 39 55.763 34.731 12.981 3 H3 MET 39 HT3 MET 39 55.100 33.203 12.646 4 HA MET 39 HA MET 39 53.830 35.856 12.315 5 HB2 MET 39 HB2 MET 39 54.368 33.531 10.444 6 HB3 MET 39 HB3 MET 39 53.515 35.010 9.999 7 HG2 MET 39 HG2 MET 39 55.553 36.311 10.696 8 HG3 MET 39 HG3 MET 39 56.394 34.777 10.910 9 HE1 MET 39 HE1 MET 39 54.937 36.763 7.068 10 HE2 MET 39 HE2 MET 39 54.771 37.306 8.735 11 HE3 MET 39 HE3 MET 39 53.746 36.006 8.132 12 H ASN 40 H ASN 40 53.320 32.345 12.460 13 HA ASN 40 HA ASN 40 50.408 32.764 12.436 14 HB2 ASN 40 HB2 ASN 40 51.533 31.031 10.951 15 HB3 ASN 40 HB3 ASN 40 51.878 30.127 12.424 16 HD21 ASN 40 HD21 ASN 40 50.413 28.406 11.562 17 HD22 ASN 40 HD22 ASN 40 48.731 28.599 11.694 18 H GLY 41 H GLY 41 49.497 33.073 14.352 19 HA2 GLY 41 HA2 GLY 41 50.649 32.663 16.852 20 HA3 GLY 41 HA3 GLY 41 48.921 32.812 16.561 21 H GLU 42 H GLU 42 48.983 30.359 14.805 22 HA GLU 42 HA GLU 42 48.095 28.522 16.713 23 HB2 GLU 42 HB2 GLU 42 49.083 28.040 13.897 24 HB3 GLU 42 HB3 GLU 42 48.196 26.863 14.868 25 HG2 GLU 42 HG2 GLU 42 46.328 28.492 15.082 26 HG3 GLU 42 HG3 GLU 42 47.201 29.601 14.034 27 H ASN 43 H ASN 43 51.337 29.050 15.451 28 HA ASN 43 HA ASN 43 52.326 26.494 16.329 29 HB2 ASN 43 HB2 ASN 43 54.474 27.252 15.572 30 HB3 ASN 43 HB3 ASN 43 53.260 27.724 14.390 31 HD21 ASN 43 HD21 ASN 43 55.415 29.215 14.063 32 HD22 ASN 43 HD22 ASN 43 55.300 30.739 14.802 33 H TYR 44 H TYR 44 51.282 28.813 18.285 34 HA TYR 44 HA TYR 44 53.498 28.447 20.223 35 HB2 TYR 44 HB2 TYR 44 52.930 30.819 19.277 36 HB3 TYR 44 HB3 TYR 44 51.557 30.725 20.364 37 HD1 TYR 44 HD1 TYR 44 55.265 30.647 20.185 38 HD2 TYR 44 HD2 TYR 44 51.819 31.079 22.711 39 HE1 TYR 44 HE1 TYR 44 56.726 31.382 22.049 40 HE2 TYR 44 HE2 TYR 44 53.280 31.816 24.575 41 HH TYR 44 HH TYR 44 56.711 31.660 24.370 42 H PHE 45 H PHE 45 52.972 27.518 22.118 43 HA PHE 45 HA PHE 45 50.521 26.137 22.335 44 HB2 PHE 45 HB2 PHE 45 52.681 26.680 24.365 45 HB3 PHE 45 HB3 PHE 45 51.322 25.609 24.649 46 HD1 PHE 45 HD2 PHE 45 51.089 23.507 23.321 47 HD2 PHE 45 HD1 PHE 45 54.555 26.027 23.026 48 HE1 PHE 45 HE2 PHE 45 52.346 21.654 22.258 49 HE2 PHE 45 HE1 PHE 45 55.814 24.172 21.963 50 HZ PHE 45 HZ PHE 45 54.709 21.985 21.579 51 H LYS 46 H LYS 46 51.735 29.000 24.093 52 HA LYS 46 HA LYS 46 49.588 29.165 25.905 53 HB2 LYS 46 HB2 LYS 46 51.415 31.336 24.861 54 HB3 LYS 46 HB3 LYS 46 50.319 31.522 26.230 55 HG2 LYS 46 HG2 LYS 46 51.447 29.592 27.344 56 HG3 LYS 46 HG3 LYS 46 52.605 29.542 26.013 57 HD2 LYS 46 HD2 LYS 46 53.215 31.915 26.515 58 HD3 LYS 46 HD3 LYS 46 52.149 31.856 27.919 59 HE2 LYS 46 HE2 LYS 46 54.206 31.309 28.874 60 HE3 LYS 46 HE3 LYS 46 53.535 29.713 28.538 61 HZ1 LYS 46 HZ1 LYS 46 55.882 30.069 27.793 62 HZ2 LYS 46 HZ2 LYS 46 55.287 31.166 26.640 63 HZ3 LYS 46 HZ3 LYS 46 54.821 29.533 26.582 64 H LEU 47 H LEU 47 50.020 30.580 22.682 65 HA LEU 47 HA LEU 47 47.772 32.285 22.744 66 HB2 LEU 47 HB2 LEU 47 49.029 30.907 20.359 67 HB3 LEU 47 HB3 LEU 47 47.948 32.299 20.297 68 HG LEU 47 HG LEU 47 50.627 32.257 21.719 69 HD11 LEU 47 HD11 LEU 47 50.549 32.152 19.122 70 HD12 LEU 47 HD12 LEU 47 51.535 33.407 19.872 71 HD13 LEU 47 HD13 LEU 47 49.944 33.806 19.223 72 HD21 LEU 47 HD21 LEU 47 49.263 33.881 22.784 73 HD22 LEU 47 HD22 LEU 47 48.505 34.360 21.266 74 HD23 LEU 47 HD23 LEU 47 50.181 34.801 21.591 75 H GLY 48 H GLY 48 48.123 28.885 21.836 76 HA2 GLY 48 HA2 GLY 48 45.577 28.514 20.691 77 HA3 GLY 48 HA3 GLY 48 46.567 27.246 21.404 78 H SER 49 H SER 49 46.684 28.337 24.047 79 HA SER 49 HA SER 49 44.382 27.128 25.138 80 HB2 SER 49 HB2 SER 49 45.225 27.851 27.283 81 HB3 SER 49 HB3 SER 49 46.587 27.349 26.287 82 HG SER 49 HG SER 49 46.412 29.567 27.437 83 H ASP 50 H ASP 50 45.112 30.494 24.385 84 HA ASP 50 HA ASP 50 43.150 31.746 25.941 85 HB2 ASP 50 HB2 ASP 50 44.979 32.900 24.684 86 HB3 ASP 50 HB3 ASP 50 44.081 32.608 23.196 87 H SER 51 H SER 51 42.948 30.306 22.711 88 HA SER 51 HA SER 51 40.335 31.205 22.103 89 HB2 SER 51 HB2 SER 51 40.374 29.557 20.332 90 HB3 SER 51 HB3 SER 51 41.964 30.305 20.445 91 HG SER 51 HG SER 51 42.041 28.029 20.373 92 H LYS 52 H LYS 52 41.515 28.393 23.876 93 HA LYS 52 HA LYS 52 39.174 26.843 23.836 94 HB2 LYS 52 HB2 LYS 52 41.337 27.047 25.941 95 HB3 LYS 52 HB3 LYS 52 40.104 25.786 25.889 96 HG2 LYS 52 HG2 LYS 52 40.883 25.168 23.601 97 HG3 LYS 52 HG3 LYS 52 42.177 26.357 23.751 98 HD2 LYS 52 HD2 LYS 52 42.977 25.166 25.797 99 HD3 LYS 52 HD3 LYS 52 41.752 23.929 25.515 100 HE2 LYS 52 HE2 LYS 52 43.974 24.681 23.593 101 HE3 LYS 52 HE3 LYS 52 43.921 23.225 24.586 102 HZ1 LYS 52 HZ1 LYS 52 42.052 23.978 22.411 103 HZ2 LYS 52 HZ2 LYS 52 41.793 22.674 23.467 104 HZ3 LYS 52 HZ3 LYS 52 43.136 22.674 22.427 105 H LEU 53 H LEU 53 40.166 29.496 25.950 106 HA LEU 53 HA LEU 53 38.251 29.148 27.975 107 HB2 LEU 53 HB2 LEU 53 40.228 30.660 28.106 108 HB3 LEU 53 HB3 LEU 53 39.417 31.762 26.995 109 HG LEU 53 HG LEU 53 37.476 31.815 28.634 110 HD11 LEU 53 HD11 LEU 53 39.517 30.265 30.233 111 HD12 LEU 53 HD12 LEU 53 37.820 29.874 29.954 112 HD13 LEU 53 HD13 LEU 53 38.252 31.211 31.019 113 HD21 LEU 53 HD21 LEU 53 39.173 33.621 28.476 114 HD22 LEU 53 HD22 LEU 53 40.172 32.769 29.654 115 HD23 LEU 53 HD23 LEU 53 38.599 33.410 30.131 116 H LEU 54 H LEU 54 38.072 30.867 24.884 117 HA LEU 54 HA LEU 54 35.268 31.593 25.472 118 HB2 LEU 54 HB2 LEU 54 37.118 32.662 23.330 119 HB3 LEU 54 HB3 LEU 54 35.492 33.241 23.687 120 HG LEU 54 HG LEU 54 37.808 33.279 25.647 121 HD11 LEU 54 HD11 LEU 54 37.890 34.852 23.601 122 HD12 LEU 54 HD12 LEU 54 38.031 35.595 25.194 123 HD13 LEU 54 HD13 LEU 54 36.498 35.658 24.325 124 HD21 LEU 54 HD21 LEU 54 35.769 33.166 26.879 125 HD22 LEU 54 HD22 LEU 54 34.939 34.236 25.749 126 HD23 LEU 54 HD23 LEU 54 36.176 34.880 26.828 127 H THR 55 H THR 55 33.615 30.945 24.182 128 HA THR 55 HA THR 55 34.270 29.221 21.859 129 HB THR 55 HB THR 55 31.882 28.961 23.703 130 HG1 THR 55 HG1 THR 55 33.778 28.303 24.684 131 HG21 THR 55 HG21 THR 55 32.861 27.518 21.253 132 HG22 THR 55 HG22 THR 55 31.232 28.073 21.638 133 HG23 THR 55 HG23 THR 55 31.900 26.662 22.458 134 H HIS 56 H HIS 56 33.332 29.762 19.969 135 HA HIS 56 HA HIS 56 31.511 32.088 19.988 136 HB2 HIS 56 HB2 HIS 56 33.646 32.372 18.808 137 HB3 HIS 56 HB3 HIS 56 33.263 31.002 17.784 138 HD1 HIS 56 HD1 HIS 56 31.669 34.355 18.693 139 HD2 HIS 56 HD2 HIS 56 32.091 31.800 15.425 140 HE1 HIS 56 HE1 HIS 56 30.575 35.518 16.729 141 H ASN 57 H ASN 57 31.869 28.789 18.795 142 HA ASN 57 HA ASN 57 29.551 28.997 17.069 143 HB2 ASN 57 HB2 ASN 57 29.993 26.659 16.544 144 HB3 ASN 57 HB3 ASN 57 31.482 27.596 16.449 145 HD21 ASN 57 HD21 ASN 57 31.493 24.751 16.872 146 HD22 ASN 57 HD22 ASN 57 32.101 24.454 18.429 147 H SER 58 H SER 58 27.656 27.709 17.266 148 HA SER 58 HA SER 58 27.070 26.701 19.983 149 HB2 SER 58 HB2 SER 58 26.048 28.951 19.670 150 HB3 SER 58 HB3 SER 58 25.182 28.333 18.267 151 HG SER 58 HG SER 58 24.924 27.609 20.937 152 H TYR 59 H TYR 59 26.175 24.724 20.003 153 HA TYR 59 HA TYR 59 25.972 23.198 17.632 154 HB2 TYR 59 HB2 TYR 59 26.397 22.299 19.931 155 HB3 TYR 59 HB3 TYR 59 24.711 22.595 20.307 156 HD1 TYR 59 HD1 TYR 59 27.031 20.635 18.179 157 HD2 TYR 59 HD2 TYR 59 22.995 21.086 19.574 158 HE1 TYR 59 HE1 TYR 59 26.457 18.416 17.233 159 HE2 TYR 59 HE2 TYR 59 22.419 18.868 18.629 160 HH TYR 59 HH TYR 59 24.023 16.678 18.025 161 H GLN 60 H GLN 60 23.525 24.776 19.660 162 HA GLN 60 HA GLN 60 21.473 24.114 17.632 163 HB2 GLN 60 HB2 GLN 60 21.186 24.953 20.527 164 HB3 GLN 60 HB3 GLN 60 19.841 24.677 19.419 165 HG2 GLN 60 HG2 GLN 60 20.538 22.352 19.107 166 HG3 GLN 60 HG3 GLN 60 21.938 22.614 20.143 167 HE21 GLN 60 HE21 GLN 60 19.964 20.629 20.758 168 HE22 GLN 60 HE22 GLN 60 19.159 21.104 22.176 169 H ASN 61 H ASN 61 20.804 25.697 16.334 170 HA ASN 61 HA ASN 61 21.716 28.360 16.480 171 HB2 ASN 61 HB2 ASN 61 20.792 27.159 14.444 172 HB3 ASN 61 HB3 ASN 61 19.185 27.449 15.106 173 HD21 ASN 61 HD21 ASN 61 18.726 28.875 13.229 174 HD22 ASN 61 HD22 ASN 61 19.369 30.445 13.181 175 H ARG 62 H ARG 62 18.702 26.842 17.557 176 HA ARG 62 HA ARG 62 18.272 29.048 19.409 177 HB2 ARG 62 HB2 ARG 62 15.981 29.454 18.679 178 HB3 ARG 62 HB3 ARG 62 17.103 29.753 17.355 179 HG2 ARG 62 HG2 ARG 62 16.640 27.402 16.549 180 HG3 ARG 62 HG3 ARG 62 15.361 27.309 17.761 181 HD2 ARG 62 HD2 ARG 62 14.323 29.348 16.762 182 HD3 ARG 62 HD3 ARG 62 15.548 29.313 15.497 183 HE ARG 62 HE ARG 62 14.269 26.796 15.628 184 HH11 ARG 62 HH11 ARG 62 13.582 30.088 14.622 185 HH12 ARG 62 HH12 ARG 62 12.407 29.591 13.451 186 HH21 ARG 62 HH21 ARG 62 12.747 26.216 14.103 187 HH22 ARG 62 HH22 ARG 62 11.942 27.426 13.162 188 H LEU 63 H LEU 63 16.458 28.565 20.937 189 HA LEU 63 HA LEU 63 16.515 25.672 21.555 190 HB2 LEU 63 HB2 LEU 63 17.541 27.234 23.210 191 HB3 LEU 63 HB3 LEU 63 15.960 27.991 23.417 192 HG LEU 63 HG LEU 63 15.057 25.683 23.989 193 HD11 LEU 63 HD11 LEU 63 18.004 25.117 23.782 194 HD12 LEU 63 HD12 LEU 63 16.647 24.164 23.182 195 HD13 LEU 63 HD13 LEU 63 17.007 24.196 24.907 196 HD21 LEU 63 HD21 LEU 63 15.398 27.210 25.793 197 HD22 LEU 63 HD22 LEU 63 17.151 27.053 25.688 198 HD23 LEU 63 HD23 LEU 63 16.181 25.711 26.293 199 H PHE 64 H PHE 64 14.677 24.536 21.537 200 HA PHE 64 HA PHE 64 12.136 25.959 21.163 201 HB2 PHE 64 HB2 PHE 64 12.840 23.032 20.926 202 HB3 PHE 64 HB3 PHE 64 11.250 23.706 20.630 203 HD1 PHE 64 HD1 PHE 64 10.872 25.202 18.671 204 HD2 PHE 64 HD2 PHE 64 14.612 23.189 19.322 205 HE1 PHE 64 HE1 PHE 64 11.511 25.622 16.312 206 HE2 PHE 64 HE2 PHE 64 15.249 23.610 16.964 207 HZ PHE 64 HZ PHE 64 13.699 24.827 15.459 208 H TYR 65 H TYR 65 10.675 26.156 22.772 209 HA TYR 65 HA TYR 65 10.804 24.235 25.030 210 HB2 TYR 65 HB2 TYR 65 11.535 26.637 25.527 211 HB3 TYR 65 HB3 TYR 65 9.865 27.090 25.245 212 HD1 TYR 65 HD2 TYR 65 12.158 25.180 27.419 213 HD2 TYR 65 HD1 TYR 65 8.141 26.600 26.873 214 HE1 TYR 65 HE2 TYR 65 11.630 24.583 29.766 215 HE2 TYR 65 HE1 TYR 65 7.612 26.003 29.222 216 HH TYR 65 HH TYR 65 8.433 25.109 31.111 217 H THR 66 H THR 66 8.819 23.461 25.783 218 HA THR 66 HA THR 66 6.519 24.038 23.997 219 HB THR 66 HB THR 66 7.092 21.475 25.498 220 HG1 THR 66 HG1 THR 66 7.449 20.872 23.217 221 HG21 THR 66 HG21 THR 66 4.700 22.023 24.945 222 HG22 THR 66 HG22 THR 66 5.299 20.567 24.149 223 HG23 THR 66 HG23 THR 66 5.159 22.073 23.243 224 H LEU 67 H LEU 67 4.539 24.408 24.863 225 HA LEU 67 HA LEU 67 4.413 25.098 27.678 226 HB2 LEU 67 HB2 LEU 67 2.420 25.274 25.409 227 HB3 LEU 67 HB3 LEU 67 2.070 25.806 27.051 228 HG LEU 67 HG LEU 67 4.412 26.830 25.423 229 HD11 LEU 67 HD11 LEU 67 2.893 28.940 25.389 230 HD12 LEU 67 HD12 LEU 67 1.576 27.813 25.716 231 HD13 LEU 67 HD13 LEU 67 2.539 27.644 24.247 232 HD21 LEU 67 HD21 LEU 67 3.205 27.442 28.109 233 HD22 LEU 67 HD22 LEU 67 4.027 28.723 27.218 234 HD23 LEU 67 HD23 LEU 67 4.903 27.260 27.670 235 H LYS 68 H LYS 68 3.641 23.845 29.243 236 HA LYS 68 HA LYS 68 2.001 21.484 28.518 237 HB2 LYS 68 HB2 LYS 68 4.348 20.892 29.146 238 HB3 LYS 68 HB3 LYS 68 4.065 21.622 30.727 239 HG2 LYS 68 HG2 LYS 68 2.155 20.064 31.073 240 HG3 LYS 68 HG3 LYS 68 2.532 19.295 29.531 241 HD2 LYS 68 HD2 LYS 68 4.834 18.810 30.403 242 HD3 LYS 68 HD3 LYS 68 4.323 19.433 31.972 243 HE2 LYS 68 HE2 LYS 68 3.948 17.130 32.199 244 HE3 LYS 68 HE3 LYS 68 2.357 17.732 31.735 245 HZ1 LYS 68 HZ1 LYS 68 4.103 17.077 29.526 246 HZ2 LYS 68 HZ2 LYS 68 2.458 16.721 29.757 247 HZ3 LYS 68 HZ3 LYS 68 3.651 15.749 30.481 248 H THR 69 H THR 69 0.342 20.935 29.936 249 HA THR 69 HA THR 69 -1.052 22.990 31.166 250 HB THR 69 HB THR 69 -2.101 20.874 30.556 251 HG1 THR 69 HG1 THR 69 -3.423 21.172 32.127 252 HG21 THR 69 HG21 THR 69 -0.148 19.444 31.215 253 HG22 THR 69 HG22 THR 69 -1.694 18.840 31.812 254 HG23 THR 69 HG23 THR 69 -0.598 19.687 32.903 255 H GLY 70 H GLY 70 -1.070 23.934 33.116 256 HA2 GLY 70 HA2 GLY 70 -0.748 23.880 35.514 257 HA3 GLY 70 HA3 GLY 70 0.623 22.810 35.263 258 H GLU 71 H GLU 71 1.571 24.534 32.959 259 HA GLU 71 HA GLU 71 2.811 26.647 34.612 260 HB2 GLU 71 HB2 GLU 71 4.310 24.926 33.567 261 HB3 GLU 71 HB3 GLU 71 3.788 25.506 31.985 262 HG2 GLU 71 HG2 GLU 71 4.563 27.791 32.604 263 HG3 GLU 71 HG3 GLU 71 5.164 27.150 34.127 264 H THR 72 H THR 72 2.869 28.759 33.886 265 HA THR 72 HA THR 72 1.156 29.384 31.547 266 HB THR 72 HB THR 72 0.651 31.507 32.629 267 HG1 THR 72 HG1 THR 72 1.976 32.142 34.075 268 HG21 THR 72 HG21 THR 72 -0.750 30.695 34.382 269 HG22 THR 72 HG22 THR 72 0.324 29.333 34.703 270 HG23 THR 72 HG23 THR 72 -0.625 29.377 33.217 271 H VAL 73 H VAL 73 1.759 31.378 30.379 272 HA VAL 73 HA VAL 73 4.404 31.261 29.466 273 HB VAL 73 HB VAL 73 2.470 33.585 29.269 274 HG11 VAL 73 HG11 VAL 73 4.537 34.434 28.547 275 HG12 VAL 73 HG12 VAL 73 3.820 33.840 27.050 276 HG13 VAL 73 HG13 VAL 73 5.047 32.883 27.880 277 HG21 VAL 73 HG21 VAL 73 2.947 31.233 27.410 278 HG22 VAL 73 HG22 VAL 73 1.839 32.574 27.113 279 HG23 VAL 73 HG23 VAL 73 1.529 31.449 28.436 280 H ALA 74 H ALA 74 2.875 33.482 31.787 281 HA ALA 74 HA ALA 74 5.100 35.172 32.154 282 HB1 ALA 74 HB1 ALA 74 2.569 35.294 32.995 283 HB2 ALA 74 HB2 ALA 74 3.865 36.179 33.799 284 HB3 ALA 74 HB3 ALA 74 3.295 34.647 34.465 285 H ASP 75 H ASP 75 4.163 32.144 33.749 286 HA ASP 75 HA ASP 75 6.041 32.238 35.850 287 HB2 ASP 75 HB2 ASP 75 4.809 29.868 34.429 288 HB3 ASP 75 HB3 ASP 75 5.746 29.758 35.915 289 H LEU 76 H LEU 76 6.243 30.826 32.594 290 HA LEU 76 HA LEU 76 8.810 29.709 32.833 291 HB2 LEU 76 HB2 LEU 76 7.235 29.258 30.959 292 HB3 LEU 76 HB3 LEU 76 7.542 30.882 30.345 293 HG LEU 76 HG LEU 76 10.013 30.266 30.290 294 HD11 LEU 76 HD11 LEU 76 8.797 27.539 30.802 295 HD12 LEU 76 HD12 LEU 76 10.020 28.360 31.771 296 HD13 LEU 76 HD13 LEU 76 10.421 27.775 30.158 297 HD21 LEU 76 HD21 LEU 76 7.907 28.958 28.578 298 HD22 LEU 76 HD22 LEU 76 9.619 28.691 28.250 299 HD23 LEU 76 HD23 LEU 76 8.954 30.323 28.190 300 H SER 77 H SER 77 7.768 32.941 31.811 301 HA SER 77 HA SER 77 10.275 33.937 31.031 302 HB2 SER 77 HB2 SER 77 8.036 35.023 30.633 303 HB3 SER 77 HB3 SER 77 8.050 35.526 32.321 304 HG SER 77 HG SER 77 9.220 37.090 31.592 305 H LYS 78 H LYS 78 8.702 33.879 34.204 306 HA LYS 78 HA LYS 78 10.579 35.478 35.566 307 HB2 LYS 78 HB2 LYS 78 8.329 34.856 36.437 308 HB3 LYS 78 HB3 LYS 78 8.917 33.214 36.694 309 HG2 LYS 78 HG2 LYS 78 9.155 34.291 38.799 310 HG3 LYS 78 HG3 LYS 78 10.779 34.270 38.115 311 HD2 LYS 78 HD2 LYS 78 10.521 36.580 37.348 312 HD3 LYS 78 HD3 LYS 78 8.858 36.610 37.933 313 HE2 LYS 78 HE2 LYS 78 11.101 35.923 39.814 314 HE3 LYS 78 HE3 LYS 78 10.743 37.609 39.443 315 HZ1 LYS 78 HZ1 LYS 78 9.511 36.936 41.371 316 HZ2 LYS 78 HZ2 LYS 78 8.855 35.603 40.548 317 HZ3 LYS 78 HZ3 LYS 78 8.426 37.181 40.091 318 H SER 79 H SER 79 10.377 31.950 35.170 319 HA SER 79 HA SER 79 12.577 31.282 36.788 320 HB2 SER 79 HB2 SER 79 10.881 29.666 35.905 321 HB3 SER 79 HB3 SER 79 11.632 29.811 34.319 322 HG SER 79 HG SER 79 13.078 28.497 35.040 323 H GLN 80 H GLN 80 12.379 31.992 33.325 324 HA GLN 80 HA GLN 80 15.179 31.609 32.854 325 HB2 GLN 80 HB2 GLN 80 13.109 33.036 31.177 326 HB3 GLN 80 HB3 GLN 80 14.710 32.535 30.638 327 HG2 GLN 80 HG2 GLN 80 12.509 30.690 31.612 328 HG3 GLN 80 HG3 GLN 80 13.005 30.905 29.936 329 HE21 GLN 80 HE21 GLN 80 13.260 28.655 32.235 330 HE22 GLN 80 HE22 GLN 80 14.832 28.079 31.957 331 H ASP 81 H ASP 81 13.431 34.228 34.224 332 HA ASP 81 HA ASP 81 14.029 36.362 34.804 333 HB2 ASP 81 HB2 ASP 81 16.112 35.105 35.559 334 HB3 ASP 81 HB3 ASP 81 16.857 35.622 34.048 335 H ILE 82 H ILE 82 13.037 35.952 32.250 336 HA ILE 82 HA ILE 82 14.549 37.916 30.624 337 HB ILE 82 HB ILE 82 12.589 35.807 29.675 338 HG12 ILE 82 HG12 ILE 82 15.603 35.929 29.343 339 HG13 ILE 82 HG13 ILE 82 14.781 34.910 30.525 340 HG21 ILE 82 HG21 ILE 82 13.372 36.465 27.436 341 HG22 ILE 82 HG22 ILE 82 14.426 37.683 28.152 342 HG23 ILE 82 HG23 ILE 82 12.675 37.850 28.275 343 HD11 ILE 82 HD11 ILE 82 13.447 33.969 28.540 344 HD12 ILE 82 HD12 ILE 82 15.141 33.492 28.653 345 HD13 ILE 82 HD13 ILE 82 14.652 34.745 27.512 346 H ASN 83 H ASN 83 13.418 39.645 29.739 347 HA ASN 83 HA ASN 83 11.091 40.477 31.204 348 HB2 ASN 83 HB2 ASN 83 12.501 41.705 28.823 349 HB3 ASN 83 HB3 ASN 83 11.203 42.479 29.731 350 HD21 ASN 83 HD21 ASN 83 13.924 43.526 29.536 351 HD22 ASN 83 HD22 ASN 83 14.576 43.515 31.103 352 H LEU 84 H LEU 84 8.987 40.447 30.606 353 HA LEU 84 HA LEU 84 8.066 38.665 28.657 354 HB2 LEU 84 HB2 LEU 84 6.618 41.052 29.833 355 HB3 LEU 84 HB3 LEU 84 5.859 39.695 29.001 356 HG LEU 84 HG LEU 84 7.530 39.450 31.520 357 HD11 LEU 84 HD11 LEU 84 5.152 38.773 32.400 358 HD12 LEU 84 HD12 LEU 84 4.574 39.716 31.026 359 HD13 LEU 84 HD13 LEU 84 5.565 40.483 32.267 360 HD21 LEU 84 HD21 LEU 84 7.615 37.400 30.271 361 HD22 LEU 84 HD22 LEU 84 5.899 37.495 29.878 362 HD23 LEU 84 HD23 LEU 84 6.406 37.160 31.533 363 H SER 85 H SER 85 8.681 42.148 28.455 364 HA SER 85 HA SER 85 7.474 42.635 25.966 365 HB2 SER 85 HB2 SER 85 8.354 44.389 27.528 366 HB3 SER 85 HB3 SER 85 9.984 43.935 27.044 367 HG SER 85 HG SER 85 8.147 45.387 25.731 368 H THR 86 H THR 86 10.741 41.522 26.796 369 HA THR 86 HA THR 86 11.811 41.552 24.188 370 HB THR 86 HB THR 86 12.516 39.652 26.437 371 HG1 THR 86 HG1 THR 86 13.689 42.096 25.861 372 HG21 THR 86 HG21 THR 86 14.790 39.851 25.302 373 HG22 THR 86 HG22 THR 86 13.947 40.609 23.951 374 HG23 THR 86 HG23 THR 86 13.566 38.950 24.408 375 H ILE 87 H ILE 87 10.109 39.015 25.994 376 HA ILE 87 HA ILE 87 10.430 36.926 24.153 377 HB ILE 87 HB ILE 87 8.058 37.436 25.972 378 HG12 ILE 87 HG12 ILE 87 10.567 35.806 26.471 379 HG13 ILE 87 HG13 ILE 87 10.310 37.431 27.104 380 HG21 ILE 87 HG21 ILE 87 7.759 35.688 24.180 381 HG22 ILE 87 HG22 ILE 87 7.678 35.048 25.822 382 HG23 ILE 87 HG23 ILE 87 9.142 34.831 24.862 383 HD11 ILE 87 HD11 ILE 87 9.642 35.947 28.851 384 HD12 ILE 87 HD12 ILE 87 8.734 34.929 27.733 385 HD13 ILE 87 HD13 ILE 87 8.146 36.544 28.132 386 H TRP 88 H TRP 88 7.889 39.388 24.420 387 HA TRP 88 HA TRP 88 6.270 38.508 22.306 388 HB2 TRP 88 HB2 TRP 88 5.593 40.224 23.929 389 HB3 TRP 88 HB3 TRP 88 6.761 41.336 23.243 390 HD1 TRP 88 HD1 TRP 88 3.454 39.582 22.442 391 HE1 TRP 88 HE1 TRP 88 2.266 40.887 20.565 392 HE3 TRP 88 HE3 TRP 88 7.098 42.963 21.278 393 HZ2 TRP 88 HZ2 TRP 88 2.792 43.081 18.799 394 HZ3 TRP 88 HZ3 TRP 88 6.730 44.645 19.500 395 HH2 TRP 88 HH2 TRP 88 4.587 44.711 18.259 396 H SER 89 H SER 89 8.964 40.854 22.266 397 HA SER 89 HA SER 89 8.725 41.691 19.632 398 HB2 SER 89 HB2 SER 89 11.032 42.401 19.786 399 HB3 SER 89 HB3 SER 89 10.253 42.672 21.341 400 HG SER 89 HG SER 89 12.029 41.574 21.841 401 H LEU 90 H LEU 90 10.421 38.840 20.901 402 HA LEU 90 HA LEU 90 11.505 38.079 18.366 403 HB2 LEU 90 HB2 LEU 90 11.048 36.406 20.845 404 HB3 LEU 90 HB3 LEU 90 12.080 35.975 19.483 405 HG LEU 90 HG LEU 90 12.455 38.438 21.213 406 HD11 LEU 90 HD11 LEU 90 12.879 36.036 22.187 407 HD12 LEU 90 HD12 LEU 90 14.102 37.287 22.406 408 HD13 LEU 90 HD13 LEU 90 14.303 36.067 21.148 409 HD21 LEU 90 HD21 LEU 90 13.910 37.251 18.855 410 HD22 LEU 90 HD22 LEU 90 14.780 38.232 20.034 411 HD23 LEU 90 HD23 LEU 90 13.435 38.927 19.130 412 H ASN 91 H ASN 91 8.762 36.796 20.274 413 HA ASN 91 HA ASN 91 8.085 34.971 18.122 414 HB2 ASN 91 HB2 ASN 91 6.832 35.458 20.823 415 HB3 ASN 91 HB3 ASN 91 6.294 34.224 19.683 416 HD21 ASN 91 HD21 ASN 91 9.382 35.322 21.219 417 HD22 ASN 91 HD22 ASN 91 9.996 33.750 21.413 418 H LYS 92 H LYS 92 7.428 38.177 18.400 419 HA LYS 92 HA LYS 92 4.738 38.527 18.044 420 HB2 LYS 92 HB2 LYS 92 5.263 40.569 16.872 421 HB3 LYS 92 HB3 LYS 92 6.433 40.334 18.167 422 HG2 LYS 92 HG2 LYS 92 8.017 39.355 16.491 423 HG3 LYS 92 HG3 LYS 92 6.859 39.753 15.221 424 HD2 LYS 92 HD2 LYS 92 6.949 42.157 16.066 425 HD3 LYS 92 HD3 LYS 92 8.338 41.666 17.036 426 HE2 LYS 92 HE2 LYS 92 9.381 42.422 15.092 427 HE3 LYS 92 HE3 LYS 92 9.230 40.696 14.762 428 HZ1 LYS 92 HZ1 LYS 92 8.372 42.581 13.103 429 HZ2 LYS 92 HZ2 LYS 92 6.958 42.346 14.016 430 HZ3 LYS 92 HZ3 LYS 92 7.669 41.038 13.197 431 H HIS 93 H HIS 93 6.989 37.139 15.729 432 HA HIS 93 HA HIS 93 5.162 37.330 13.518 433 HB2 HIS 93 HB2 HIS 93 6.767 36.160 12.254 434 HB3 HIS 93 HB3 HIS 93 7.656 37.231 13.311 435 HD1 HIS 93 HD1 HIS 93 8.941 36.052 15.355 436 HD2 HIS 93 HD2 HIS 93 7.344 33.456 12.508 437 HE1 HIS 93 HE1 HIS 93 10.075 33.822 15.705 438 H LEU 94 H LEU 94 5.940 34.869 15.926 439 HA LEU 94 HA LEU 94 4.567 32.724 14.670 440 HB2 LEU 94 HB2 LEU 94 5.122 33.163 17.614 441 HB3 LEU 94 HB3 LEU 94 4.674 31.633 16.862 442 HG LEU 94 HG LEU 94 7.154 33.233 16.173 443 HD11 LEU 94 HD11 LEU 94 6.926 32.040 18.498 444 HD12 LEU 94 HD12 LEU 94 8.390 31.797 17.546 445 HD13 LEU 94 HD13 LEU 94 7.130 30.563 17.557 446 HD21 LEU 94 HD21 LEU 94 7.772 31.026 15.064 447 HD22 LEU 94 HD22 LEU 94 6.466 31.914 14.280 448 HD23 LEU 94 HD23 LEU 94 6.098 30.527 15.307 449 H TYR 95 H TYR 95 3.556 35.163 17.032 450 HA TYR 95 HA TYR 95 0.783 34.145 16.835 451 HB2 TYR 95 HB2 TYR 95 2.078 35.856 18.959 452 HB3 TYR 95 HB3 TYR 95 0.399 35.349 18.948 453 HD1 TYR 95 HD2 TYR 95 -0.150 32.896 19.158 454 HD2 TYR 95 HD1 TYR 95 3.814 34.437 19.751 455 HE1 TYR 95 HE2 TYR 95 0.483 30.811 20.342 456 HE2 TYR 95 HE1 TYR 95 4.448 32.353 20.935 457 HH TYR 95 HH TYR 95 3.530 29.894 20.930 458 H SER 96 H SER 96 -0.920 35.593 16.524 459 HA SER 96 HA SER 96 -0.311 37.693 14.680 460 HB2 SER 96 HB2 SER 96 -2.953 37.008 15.985 461 HB3 SER 96 HB3 SER 96 -2.721 38.001 14.550 462 HG SER 96 HG SER 96 -2.562 36.216 13.486 463 H SER 97 H SER 97 -1.405 37.605 18.055 464 HA SER 97 HA SER 97 -0.650 40.403 18.367 465 HB2 SER 97 HB2 SER 97 -2.808 41.155 19.123 466 HB3 SER 97 HB3 SER 97 -3.019 40.416 17.540 467 HG SER 97 HG SER 97 -4.044 39.693 19.881 468 H GLU 98 H GLU 98 -1.051 41.129 20.670 469 HA GLU 98 HA GLU 98 0.267 39.400 22.456 470 HB2 GLU 98 HB2 GLU 98 -1.422 41.850 23.002 471 HB3 GLU 98 HB3 GLU 98 -0.378 41.066 24.187 472 HG2 GLU 98 HG2 GLU 98 1.561 41.424 22.676 473 HG3 GLU 98 HG3 GLU 98 0.509 42.276 21.554 474 H SER 99 H SER 99 -3.173 39.980 21.888 475 HA SER 99 HA SER 99 -4.223 38.924 24.250 476 HB2 SER 99 HB2 SER 99 -5.526 40.109 22.469 477 HB3 SER 99 HB3 SER 99 -5.425 38.651 21.489 478 HG SER 99 HG SER 99 -7.291 38.933 22.937 479 H GLU 100 H GLU 100 -3.305 37.270 21.244 480 HA GLU 100 HA GLU 100 -4.256 34.717 21.963 481 HB2 GLU 100 HB2 GLU 100 -2.034 35.539 20.085 482 HB3 GLU 100 HB3 GLU 100 -2.662 33.894 20.218 483 HG2 GLU 100 HG2 GLU 100 -4.938 34.744 19.698 484 HG3 GLU 100 HG3 GLU 100 -4.271 36.357 19.493 485 H MET 101 H MET 101 -1.181 36.336 22.641 486 HA MET 101 HA MET 101 0.172 34.068 23.675 487 HB2 MET 101 HB2 MET 101 0.511 37.014 24.279 488 HB3 MET 101 HB3 MET 101 1.621 35.751 24.813 489 HG2 MET 101 HG2 MET 101 1.910 35.082 22.405 490 HG3 MET 101 HG3 MET 101 0.953 36.492 21.952 491 HE1 MET 101 HE1 MET 101 4.088 35.003 23.339 492 HE2 MET 101 HE2 MET 101 3.714 35.917 24.798 493 HE3 MET 101 HE3 MET 101 5.125 36.347 23.834 494 H MET 102 H MET 102 -1.762 36.605 25.256 495 HA MET 102 HA MET 102 -1.392 35.756 27.903 496 HB2 MET 102 HB2 MET 102 -3.754 37.158 26.637 497 HB3 MET 102 HB3 MET 102 -3.490 37.002 28.375 498 HG2 MET 102 HG2 MET 102 -1.261 38.127 28.068 499 HG3 MET 102 HG3 MET 102 -1.702 38.424 26.386 500 HE1 MET 102 HE1 MET 102 -2.384 38.626 29.908 501 HE2 MET 102 HE2 MET 102 -4.120 38.926 29.849 502 HE3 MET 102 HE3 MET 102 -3.017 40.244 30.234 503 H LYS 103 H LYS 103 -3.711 34.714 25.459 504 HA LYS 103 HA LYS 103 -5.075 32.957 27.356 505 HB2 LYS 103 HB2 LYS 103 -5.575 33.375 24.404 506 HB3 LYS 103 HB3 LYS 103 -6.617 32.506 25.528 507 HG2 LYS 103 HG2 LYS 103 -5.890 35.441 25.763 508 HG3 LYS 103 HG3 LYS 103 -7.408 34.829 25.109 509 HD2 LYS 103 HD2 LYS 103 -7.785 33.644 27.304 510 HD3 LYS 103 HD3 LYS 103 -6.373 34.493 27.937 511 HE2 LYS 103 HE2 LYS 103 -8.789 35.871 26.735 512 HE3 LYS 103 HE3 LYS 103 -8.526 35.653 28.466 513 HZ1 LYS 103 HZ1 LYS 103 -6.330 36.795 28.101 514 HZ2 LYS 103 HZ2 LYS 103 -7.708 37.775 27.945 515 HZ3 LYS 103 HZ3 LYS 103 -6.893 37.224 26.560 516 H ALA 104 H ALA 104 -2.195 32.506 26.132 517 HA ALA 104 HA ALA 104 -2.185 30.321 24.437 518 HB1 ALA 104 HB1 ALA 104 -0.190 31.638 25.242 519 HB2 ALA 104 HB2 ALA 104 0.045 29.891 25.201 520 HB3 ALA 104 HB3 ALA 104 -0.261 30.704 26.737 521 H ALA 105 H ALA 105 -2.234 28.128 24.670 522 HA ALA 105 HA ALA 105 -3.006 27.042 27.309 523 HB1 ALA 105 HB1 ALA 105 -4.388 26.796 24.669 524 HB2 ALA 105 HB2 ALA 105 -5.074 26.972 26.283 525 HB3 ALA 105 HB3 ALA 105 -4.420 25.418 25.769 526 HA PRO 106 HA PRO 106 -0.055 23.833 26.746 527 HB2 PRO 106 HB2 PRO 106 -2.120 21.696 26.870 528 HB3 PRO 106 HB3 PRO 106 -0.690 21.949 27.888 529 HG2 PRO 106 HG2 PRO 106 -3.138 22.451 28.790 530 HG3 PRO 106 HG3 PRO 106 -1.753 23.461 29.246 531 HD2 PRO 106 HD2 PRO 106 -3.941 24.050 27.289 532 HD3 PRO 106 HD3 PRO 106 -3.095 25.148 28.403 533 H GLY 107 H GLY 107 0.918 22.621 25.136 534 HA2 GLY 107 HA2 GLY 107 0.855 21.157 23.239 535 HA3 GLY 107 HA3 GLY 107 -0.716 21.814 22.819 536 H GLN 108 H GLN 108 0.666 24.599 23.458 537 HA GLN 108 HA GLN 108 1.428 25.011 20.672 538 HB2 GLN 108 HB2 GLN 108 1.022 26.947 22.958 539 HB3 GLN 108 HB3 GLN 108 1.489 27.426 21.324 540 HG2 GLN 108 HG2 GLN 108 -0.547 26.309 20.438 541 HG3 GLN 108 HG3 GLN 108 -1.031 25.925 22.089 542 HE21 GLN 108 HE21 GLN 108 -0.873 28.482 19.696 543 HE22 GLN 108 HE22 GLN 108 -1.633 29.669 20.642 544 H GLN 109 H GLN 109 3.366 26.182 20.089 545 HA GLN 109 HA GLN 109 5.635 25.394 21.816 546 HB2 GLN 109 HB2 GLN 109 5.489 25.848 18.827 547 HB3 GLN 109 HB3 GLN 109 6.965 25.469 19.718 548 HG2 GLN 109 HG2 GLN 109 6.008 23.351 20.473 549 HG3 GLN 109 HG3 GLN 109 4.482 23.731 19.679 550 HE21 GLN 109 HE21 GLN 109 5.977 21.378 19.012 551 HE22 GLN 109 HE22 GLN 109 6.544 21.542 17.421 552 H ILE 110 H ILE 110 7.272 26.801 22.241 553 HA ILE 110 HA ILE 110 6.982 29.600 21.335 554 HB ILE 110 HB ILE 110 7.911 28.608 24.047 555 HG12 ILE 110 HG12 ILE 110 5.464 30.237 23.304 556 HG13 ILE 110 HG13 ILE 110 5.435 28.494 23.574 557 HG21 ILE 110 HG21 ILE 110 7.624 31.406 22.909 558 HG22 ILE 110 HG22 ILE 110 9.125 30.615 23.395 559 HG23 ILE 110 HG23 ILE 110 7.921 31.045 24.610 560 HD11 ILE 110 HD11 ILE 110 6.191 28.781 25.863 561 HD12 ILE 110 HD12 ILE 110 4.791 29.820 25.600 562 HD13 ILE 110 HD13 ILE 110 6.411 30.513 25.616 563 H ILE 111 H ILE 111 8.835 30.549 20.559 564 HA ILE 111 HA ILE 111 11.234 28.816 20.441 565 HB ILE 111 HB ILE 111 10.495 31.126 18.627 566 HG12 ILE 111 HG12 ILE 111 10.387 28.143 18.079 567 HG13 ILE 111 HG13 ILE 111 8.971 29.129 18.444 568 HG21 ILE 111 HG21 ILE 111 12.945 30.574 18.913 569 HG22 ILE 111 HG22 ILE 111 12.347 30.360 17.268 570 HG23 ILE 111 HG23 ILE 111 12.590 28.956 18.308 571 HD11 ILE 111 HD11 ILE 111 10.771 29.244 16.030 572 HD12 ILE 111 HD12 ILE 111 9.793 30.637 16.492 573 HD13 ILE 111 HD13 ILE 111 9.013 29.107 16.091 574 H LEU 112 H LEU 112 13.083 29.477 21.313 575 HA LEU 112 HA LEU 112 13.301 32.267 22.277 576 HB2 LEU 112 HB2 LEU 112 14.533 29.705 23.312 577 HB3 LEU 112 HB3 LEU 112 15.001 31.314 23.867 578 HG LEU 112 HG LEU 112 12.105 30.502 23.877 579 HD11 LEU 112 HD11 LEU 112 14.167 29.904 26.020 580 HD12 LEU 112 HD12 LEU 112 13.258 28.715 25.086 581 HD13 LEU 112 HD13 LEU 112 12.422 29.760 26.235 582 HD21 LEU 112 HD21 LEU 112 12.175 32.095 25.859 583 HD22 LEU 112 HD22 LEU 112 12.537 32.831 24.297 584 HD23 LEU 112 HD23 LEU 112 13.846 32.447 25.416 585 HA PRO 113 HA PRO 113 16.516 31.725 19.017 586 HB2 PRO 113 HB2 PRO 113 16.375 34.189 17.899 587 HB3 PRO 113 HB3 PRO 113 15.228 32.896 17.493 588 HG2 PRO 113 HG2 PRO 113 14.878 35.238 19.283 589 HG3 PRO 113 HG3 PRO 113 13.725 34.479 18.172 590 HD2 PRO 113 HD2 PRO 113 13.750 34.055 20.906 591 HD3 PRO 113 HD3 PRO 113 13.048 32.933 19.722 592 H LEU 114 H LEU 114 18.599 31.933 19.567 593 HA LEU 114 HA LEU 114 19.395 34.085 21.405 594 HB2 LEU 114 HB2 LEU 114 20.944 31.647 20.491 595 HB3 LEU 114 HB3 LEU 114 21.430 32.778 21.753 596 HG LEU 114 HG LEU 114 18.907 31.095 21.822 597 HD11 LEU 114 HD11 LEU 114 20.132 29.887 23.654 598 HD12 LEU 114 HD12 LEU 114 21.584 30.786 23.213 599 HD13 LEU 114 HD13 LEU 114 20.855 29.665 22.061 600 HD21 LEU 114 HD21 LEU 114 18.599 33.109 23.104 601 HD22 LEU 114 HD22 LEU 114 20.219 32.988 23.793 602 HD23 LEU 114 HD23 LEU 114 18.974 31.829 24.258 603 H LYS 115 H LYS 115 20.855 35.646 20.870 604 HA LYS 115 HA LYS 115 21.365 36.035 18.040 605 HB2 LYS 115 HB2 LYS 115 21.997 37.734 20.455 606 HB3 LYS 115 HB3 LYS 115 22.308 38.214 18.785 607 HG2 LYS 115 HG2 LYS 115 19.886 37.889 18.280 608 HG3 LYS 115 HG3 LYS 115 19.606 37.538 19.987 609 HD2 LYS 115 HD2 LYS 115 20.557 39.776 20.559 610 HD3 LYS 115 HD3 LYS 115 20.684 40.127 18.835 611 HE2 LYS 115 HE2 LYS 115 18.615 41.081 19.400 612 HE3 LYS 115 HE3 LYS 115 18.154 39.503 18.761 613 HZ1 LYS 115 HZ1 LYS 115 17.254 40.342 21.053 614 HZ2 LYS 115 HZ2 LYS 115 18.736 39.737 21.623 615 HZ3 LYS 115 HZ3 LYS 115 17.648 38.707 20.820 616 H LYS 116 H LYS 116 23.056 34.340 20.380 617 HA LYS 116 HA LYS 116 25.716 35.148 20.050 618 HB2 LYS 116 HB2 LYS 116 24.579 32.384 20.524 619 HB3 LYS 116 HB3 LYS 116 26.284 32.809 20.692 620 HG2 LYS 116 HG2 LYS 116 25.648 34.537 22.375 621 HG3 LYS 116 HG3 LYS 116 23.975 33.991 22.262 622 HD2 LYS 116 HD2 LYS 116 24.722 31.700 22.924 623 HD3 LYS 116 HD3 LYS 116 26.351 32.335 23.157 624 HE2 LYS 116 HE2 LYS 116 23.899 33.400 24.585 625 HE3 LYS 116 HE3 LYS 116 25.014 32.222 25.279 626 HZ1 LYS 116 HZ1 LYS 116 26.815 33.836 24.930 627 HZ2 LYS 116 HZ2 LYS 116 25.620 34.417 25.987 628 HZ3 LYS 116 HZ3 LYS 116 25.682 34.973 24.383 629 H LEU 117 H LEU 117 23.676 33.109 18.012 630 HA LEU 117 HA LEU 117 25.895 32.912 16.057 631 HB2 LEU 117 HB2 LEU 117 24.899 30.773 17.166 632 HB3 LEU 117 HB3 LEU 117 23.538 31.052 16.079 633 HG LEU 117 HG LEU 117 26.348 31.095 15.008 634 HD11 LEU 117 HD11 LEU 117 24.624 28.618 15.309 635 HD12 LEU 117 HD12 LEU 117 26.037 28.973 16.303 636 HD13 LEU 117 HD13 LEU 117 26.222 28.703 14.570 637 HD21 LEU 117 HD21 LEU 117 24.935 30.073 13.051 638 HD22 LEU 117 HD22 LEU 117 24.806 31.800 13.387 639 HD23 LEU 117 HD23 LEU 117 23.555 30.694 13.958 640 HA PRO 118 HA PRO 118 22.588 35.550 14.176 641 HB2 PRO 118 HB2 PRO 118 24.272 37.038 12.597 642 HB3 PRO 118 HB3 PRO 118 23.872 37.453 14.274 643 HG2 PRO 118 HG2 PRO 118 26.293 36.117 13.186 644 HG3 PRO 118 HG3 PRO 118 26.149 37.324 14.478 645 HD2 PRO 118 HD2 PRO 118 26.499 34.676 14.998 646 HD3 PRO 118 HD3 PRO 118 25.591 35.753 16.082 647 H PHE 119 H PHE 119 21.817 33.701 13.045 648 HA PHE 119 HA PHE 119 23.157 33.061 10.498 649 HB2 PHE 119 HB2 PHE 119 22.583 31.202 12.041 650 HB3 PHE 119 HB3 PHE 119 20.891 31.639 11.901 651 HD1 PHE 119 HD1 PHE 119 23.827 30.282 10.102 652 HD2 PHE 119 HD2 PHE 119 19.601 31.036 9.959 653 HE1 PHE 119 HE1 PHE 119 23.638 28.842 8.091 654 HE2 PHE 119 HE2 PHE 119 19.412 29.597 7.948 655 HZ PHE 119 HZ PHE 119 21.430 28.499 7.014 656 H GLU 120 H GLU 120 22.309 33.665 8.601 657 HA GLU 120 HA GLU 120 19.632 34.933 8.608 658 HB2 GLU 120 HB2 GLU 120 21.997 35.388 6.772 659 HB3 GLU 120 HB3 GLU 120 20.427 36.181 6.629 660 HG2 GLU 120 HG2 GLU 120 20.709 37.087 8.930 661 HG3 GLU 120 HG3 GLU 120 22.309 36.361 8.998 662 H TYR 121 H TYR 121 18.280 34.601 6.764 663 HA TYR 121 HA TYR 121 18.914 32.173 5.190 664 HB2 TYR 121 HB2 TYR 121 16.640 31.449 5.373 665 HB3 TYR 121 HB3 TYR 121 17.267 31.720 6.985 666 HD1 TYR 121 HD2 TYR 121 16.523 33.698 8.300 667 HD2 TYR 121 HD1 TYR 121 14.822 32.733 4.476 668 HE1 TYR 121 HE2 TYR 121 14.604 35.195 8.776 669 HE2 TYR 121 HE1 TYR 121 12.903 34.229 4.951 670 HH TYR 121 HH TYR 121 12.129 35.318 7.880 671 H SER 122 H SER 122 18.272 32.153 3.064 672 HA SER 122 HA SER 122 17.804 34.769 1.886 673 HB2 SER 122 HB2 SER 122 18.350 33.743 -0.203 674 HB3 SER 122 HB3 SER 122 19.479 33.123 0.997 675 HG SER 122 HG SER 122 17.808 31.777 -0.489 676 H ALA 123 H ALA 123 15.763 32.249 2.913 677 HA ALA 123 HA ALA 123 13.888 32.039 0.852 678 HB1 ALA 123 HB1 ALA 123 12.527 30.981 2.392 679 HB2 ALA 123 HB2 ALA 123 12.966 32.084 3.696 680 HB3 ALA 123 HB3 ALA 123 14.092 30.824 3.189 681 H LEU 124 H LEU 124 12.163 33.229 0.206 682 HA LEU 124 HA LEU 124 11.525 35.703 1.678 683 HB2 LEU 124 HB2 LEU 124 13.117 36.137 -0.248 684 HB3 LEU 124 HB3 LEU 124 11.822 35.616 -1.326 685 HG LEU 124 HG LEU 124 10.344 37.340 -0.141 686 HD11 LEU 124 HD11 LEU 124 11.585 37.831 1.824 687 HD12 LEU 124 HD12 LEU 124 11.781 39.256 0.804 688 HD13 LEU 124 HD13 LEU 124 13.079 38.067 0.918 689 HD21 LEU 124 HD21 LEU 124 12.747 38.409 -1.652 690 HD22 LEU 124 HD22 LEU 124 11.145 39.141 -1.563 691 HD23 LEU 124 HD23 LEU 124 11.371 37.617 -2.419 692 HA PRO 125 HA PRO 125 7.700 33.321 0.585 693 HB2 PRO 125 HB2 PRO 125 6.214 34.301 2.703 694 HB3 PRO 125 HB3 PRO 125 7.193 32.823 2.761 695 HG2 PRO 125 HG2 PRO 125 7.824 35.546 3.764 696 HG3 PRO 125 HG3 PRO 125 8.195 33.963 4.472 697 HD2 PRO 125 HD2 PRO 125 10.071 35.419 3.167 698 HD3 PRO 125 HD3 PRO 125 10.065 33.641 3.139 699 H LEU 126 H LEU 126 7.548 34.719 -1.268 700 HA LEU 126 HA LEU 126 6.812 37.427 -1.212 701 HB2 LEU 126 HB2 LEU 126 7.691 36.215 -3.205 702 HB3 LEU 126 HB3 LEU 126 6.136 35.395 -3.350 703 HG LEU 126 HG LEU 126 5.054 37.687 -3.454 704 HD11 LEU 126 HD11 LEU 126 6.733 39.479 -4.256 705 HD12 LEU 126 HD12 LEU 126 7.974 38.449 -3.540 706 HD13 LEU 126 HD13 LEU 126 6.695 39.123 -2.530 707 HD21 LEU 126 HD21 LEU 126 5.356 36.413 -5.492 708 HD22 LEU 126 HD22 LEU 126 7.059 36.866 -5.576 709 HD23 LEU 126 HD23 LEU 126 5.808 38.084 -5.828 710 H LEU 127 H LEU 127 4.839 34.488 -1.174 711 HA LEU 127 HA LEU 127 2.338 35.623 -1.700 712 HB2 LEU 127 HB2 LEU 127 2.968 33.310 0.150 713 HB3 LEU 127 HB3 LEU 127 1.398 33.664 -0.567 714 HG LEU 127 HG LEU 127 3.918 33.074 -2.148 715 HD11 LEU 127 HD11 LEU 127 1.525 31.358 -1.430 716 HD12 LEU 127 HD12 LEU 127 3.212 31.059 -1.011 717 HD13 LEU 127 HD13 LEU 127 2.686 30.938 -2.691 718 HD21 LEU 127 HD21 LEU 127 2.440 34.440 -3.453 719 HD22 LEU 127 HD22 LEU 127 1.023 33.548 -2.901 720 HD23 LEU 127 HD23 LEU 127 2.177 32.782 -3.993 721 H GLY 128 H GLY 128 4.118 35.323 1.352 722 HA2 GLY 128 HA2 GLY 128 3.939 36.551 3.297 723 HA3 GLY 128 HA3 GLY 128 2.815 37.615 2.459 724 H SER 129 H SER 129 2.418 34.124 2.858 725 HA SER 129 HA SER 129 0.201 34.616 4.755 726 HB2 SER 129 HB2 SER 129 -1.181 33.005 3.573 727 HB3 SER 129 HB3 SER 129 -0.683 34.272 2.456 728 HG SER 129 HG SER 129 0.024 32.620 1.378 729 H ALA 130 H ALA 130 -0.291 32.855 6.151 730 HA ALA 130 HA ALA 130 1.571 30.592 6.125 731 HB1 ALA 130 HB1 ALA 130 1.215 32.523 8.419 732 HB2 ALA 130 HB2 ALA 130 2.713 32.070 7.605 733 HB3 ALA 130 HB3 ALA 130 1.879 30.903 8.631 734 HA PRO 131 HA PRO 131 -2.227 28.699 7.557 735 HB2 PRO 131 HB2 PRO 131 -1.397 26.187 8.068 736 HB3 PRO 131 HB3 PRO 131 -1.439 26.836 6.417 737 HG2 PRO 131 HG2 PRO 131 0.869 26.381 8.206 738 HG3 PRO 131 HG3 PRO 131 0.766 26.289 6.440 739 HD2 PRO 131 HD2 PRO 131 1.781 28.459 7.938 740 HD3 PRO 131 HD3 PRO 131 1.405 28.459 6.202 741 H LEU 132 H LEU 132 0.640 28.488 9.615 742 HA LEU 132 HA LEU 132 -0.527 27.365 11.906 743 HB2 LEU 132 HB2 LEU 132 1.757 29.345 11.745 744 HB3 LEU 132 HB3 LEU 132 1.389 28.297 13.114 745 HG LEU 132 HG LEU 132 2.056 27.313 10.324 746 HD11 LEU 132 HD11 LEU 132 4.204 26.623 11.332 747 HD12 LEU 132 HD12 LEU 132 3.730 27.373 12.855 748 HD13 LEU 132 HD13 LEU 132 3.995 28.371 11.425 749 HD21 LEU 132 HD21 LEU 132 0.712 25.675 11.420 750 HD22 LEU 132 HD22 LEU 132 1.505 25.954 12.970 751 HD23 LEU 132 HD23 LEU 132 2.375 25.144 11.667 752 H VAL 133 H VAL 133 -0.429 30.706 10.763 753 HA VAL 133 HA VAL 133 -1.205 31.971 13.151 754 HB VAL 133 HB VAL 133 -1.920 33.836 11.703 755 HG11 VAL 133 HG11 VAL 133 0.624 32.507 10.725 756 HG12 VAL 133 HG12 VAL 133 0.492 33.432 12.219 757 HG13 VAL 133 HG13 VAL 133 0.251 34.230 10.665 758 HG21 VAL 133 HG21 VAL 133 -1.562 31.741 9.549 759 HG22 VAL 133 HG22 VAL 133 -1.542 33.468 9.196 760 HG23 VAL 133 HG23 VAL 133 -2.989 32.724 9.877 761 H ALA 134 H ALA 134 -3.124 30.481 10.576 762 HA ALA 134 HA ALA 134 -5.660 31.362 11.475 763 HB1 ALA 134 HB1 ALA 134 -6.380 29.156 10.245 764 HB2 ALA 134 HB2 ALA 134 -4.692 29.126 9.730 765 HB3 ALA 134 HB3 ALA 134 -5.716 30.502 9.318 766 H ALA 135 H ALA 135 -7.138 30.463 12.869 767 HA ALA 135 HA ALA 135 -6.167 28.235 14.564 768 HB1 ALA 135 HB1 ALA 135 -7.772 30.691 15.286 769 HB2 ALA 135 HB2 ALA 135 -6.192 30.207 15.902 770 HB3 ALA 135 HB3 ALA 135 -7.630 29.288 16.347 771 H GLY 136 H GLY 136 -9.379 29.779 14.296 772 HA2 GLY 136 HA2 GLY 136 -11.414 28.907 13.636 773 HA3 GLY 136 HA3 GLY 136 -10.547 27.572 12.884 774 H GLY 137 H GLY 137 -10.343 28.529 16.283 775 HA2 GLY 137 HA2 GLY 137 -10.554 25.946 17.311 776 HA3 GLY 137 HA3 GLY 137 -10.868 27.417 18.224 777 H VAL 138 H VAL 138 -13.097 28.251 16.486 778 HA VAL 138 HA VAL 138 -15.112 26.226 17.276 779 HB VAL 138 HB VAL 138 -15.112 28.142 18.825 780 HG11 VAL 138 HG11 VAL 138 -15.733 30.373 18.026 781 HG12 VAL 138 HG12 VAL 138 -15.782 29.782 16.365 782 HG13 VAL 138 HG13 VAL 138 -14.249 29.838 17.236 783 HG21 VAL 138 HG21 VAL 138 -17.554 28.434 17.093 784 HG22 VAL 138 HG22 VAL 138 -17.441 28.405 18.852 785 HG23 VAL 138 HG23 VAL 138 -17.239 26.915 17.931 786 H ALA 139 H ALA 139 -16.613 25.706 15.803 787 HA ALA 139 HA ALA 139 -16.293 26.472 13.087 788 HB1 ALA 139 HB1 ALA 139 -17.403 24.342 14.200 789 HB2 ALA 139 HB2 ALA 139 -17.941 24.922 12.624 790 HB3 ALA 139 HB3 ALA 139 -18.868 25.316 14.072 791 H GLY 140 H GLY 140 -18.582 27.428 15.619 792 HA2 GLY 140 HA2 GLY 140 -19.498 29.608 15.794 793 HA3 GLY 140 HA3 GLY 140 -19.197 29.847 14.077 794 H HIS 141 H HIS 141 -20.383 27.316 13.255 795 HA HIS 141 HA HIS 141 -23.240 27.876 13.817 796 HB2 HIS 141 HB2 HIS 141 -21.972 27.065 11.199 797 HB3 HIS 141 HB3 HIS 141 -23.696 27.210 11.485 798 HD1 HIS 141 HD1 HIS 141 -24.448 29.751 12.276 799 HD2 HIS 141 HD2 HIS 141 -20.810 29.378 10.275 800 HE1 HIS 141 HE1 HIS 141 -23.857 32.063 11.430 801 H THR 142 H THR 142 -24.557 26.156 14.161 802 HA THR 142 HA THR 142 -23.365 23.447 13.970 803 HB THR 142 HB THR 142 -25.318 24.420 16.070 804 HG1 THR 142 HG1 THR 142 -23.329 25.269 16.458 805 HG21 THR 142 HG21 THR 142 -24.618 22.238 17.146 806 HG22 THR 142 HG22 THR 142 -23.824 21.825 15.626 807 HG23 THR 142 HG23 THR 142 -25.571 22.061 15.672 808 H ASN 143 H ASN 143 -24.582 21.912 12.999 809 HA ASN 143 HA ASN 143 -27.232 22.740 11.975 810 HB2 ASN 143 HB2 ASN 143 -25.258 20.700 10.926 811 HB3 ASN 143 HB3 ASN 143 -26.852 21.002 10.239 812 HD21 ASN 143 HD21 ASN 143 -24.339 21.428 8.811 813 HD22 ASN 143 HD22 ASN 143 -24.236 23.087 8.470 814 H GLY 144 H GLY 144 -29.000 21.634 12.558 815 HA2 GLY 144 HA2 GLY 144 -28.648 19.287 14.301 816 HA3 GLY 144 HA3 GLY 144 -30.093 20.286 14.199 817 H SER 145 H SER 145 -28.370 19.068 11.374 818 HA SER 145 HA SER 145 -30.438 17.022 10.951 819 HB2 SER 145 HB2 SER 145 -31.185 19.090 9.790 820 HB3 SER 145 HB3 SER 145 -29.679 19.094 8.878 821 HG SER 145 HG SER 145 -30.629 17.710 7.647 822 H GLY 146 H GLY 146 -29.817 15.356 9.498 823 HA2 GLY 146 HA2 GLY 146 -28.345 14.043 8.269 824 HA3 GLY 146 HA3 GLY 146 -27.190 15.373 8.289 825 H SER 147 H SER 147 -28.746 13.789 11.050 826 HA SER 147 HA SER 147 -26.417 13.660 12.603 827 HB2 SER 147 HB2 SER 147 -27.676 12.217 14.084 828 HB3 SER 147 HB3 SER 147 -28.748 13.471 13.467 829 HG SER 147 HG SER 147 -29.567 11.969 12.077 830 H GLU 148 H GLU 148 -27.727 11.371 10.258 831 HA GLU 148 HA GLU 148 -26.249 9.097 10.945 832 HB2 GLU 148 HB2 GLU 148 -28.088 9.187 9.253 833 HB3 GLU 148 HB3 GLU 148 -26.970 9.984 8.143 834 HG2 GLU 148 HG2 GLU 148 -25.426 8.042 8.357 835 HG3 GLU 148 HG3 GLU 148 -26.611 7.239 9.377 836 H ASN 149 H ASN 149 -25.346 11.912 8.996 837 HA ASN 149 HA ASN 149 -22.620 10.813 8.702 838 HB2 ASN 149 HB2 ASN 149 -23.917 11.583 6.659 839 HB3 ASN 149 HB3 ASN 149 -23.777 13.221 7.295 840 HD21 ASN 149 HD21 ASN 149 -22.405 13.786 5.410 841 HD22 ASN 149 HD22 ASN 149 -20.782 13.290 5.362 842 H LEU 150 H LEU 150 -21.237 11.467 10.219 843 HA LEU 150 HA LEU 150 -21.659 14.072 11.523 844 HB2 LEU 150 HB2 LEU 150 -19.808 11.801 12.287 845 HB3 LEU 150 HB3 LEU 150 -20.116 13.256 13.233 846 HG LEU 150 HG LEU 150 -22.231 11.225 12.456 847 HD11 LEU 150 HD11 LEU 150 -20.412 10.530 14.152 848 HD12 LEU 150 HD12 LEU 150 -22.093 10.372 14.664 849 HD13 LEU 150 HD13 LEU 150 -21.126 11.738 15.219 850 HD21 LEU 150 HD21 LEU 150 -23.365 13.258 12.781 851 HD22 LEU 150 HD22 LEU 150 -22.228 13.803 14.015 852 HD23 LEU 150 HD23 LEU 150 -23.402 12.544 14.393 853 H TYR 151 H TYR 151 -20.349 15.754 11.170 854 HA TYR 151 HA TYR 151 -18.417 15.767 9.120 855 HB2 TYR 151 HB2 TYR 151 -19.612 17.774 9.929 856 HB3 TYR 151 HB3 TYR 151 -18.719 17.682 11.436 857 HD1 TYR 151 HD1 TYR 151 -18.468 18.342 7.804 858 HD2 TYR 151 HD2 TYR 151 -16.439 18.445 11.588 859 HE1 TYR 151 HE1 TYR 151 -16.655 19.700 6.794 860 HE2 TYR 151 HE2 TYR 151 -14.626 19.803 10.580 861 HH TYR 151 HH TYR 151 -14.030 20.057 7.524 862 H PHE 152 H PHE 152 -18.114 15.511 12.642 863 HA PHE 152 HA PHE 152 -15.212 15.078 12.358 864 HB2 PHE 152 HB2 PHE 152 -16.001 16.769 13.993 865 HB3 PHE 152 HB3 PHE 152 -16.874 15.508 14.844 866 HD1 PHE 152 HD1 PHE 152 -13.521 16.796 13.950 867 HD2 PHE 152 HD2 PHE 152 -15.736 13.965 16.302 868 HE1 PHE 152 HE1 PHE 152 -11.480 16.295 15.268 869 HE2 PHE 152 HE2 PHE 152 -13.696 13.464 17.620 870 HZ PHE 152 HZ PHE 152 -11.568 14.629 17.103 871 H GLN 153 H GLN 153 -14.342 13.116 12.622 872 HA GLN 153 HA GLN 153 -16.104 10.919 13.541 873 HB2 GLN 153 HB2 GLN 153 -15.271 10.780 11.190 874 HB3 GLN 153 HB3 GLN 153 -13.622 10.744 11.817 875 HG2 GLN 153 HG2 GLN 153 -14.123 8.707 13.086 876 HG3 GLN 153 HG3 GLN 153 -15.792 8.751 12.527 877 HE21 GLN 153 HE21 GLN 153 -14.433 6.445 11.942 878 HE22 GLN 153 HE22 GLN 153 -14.006 6.388 10.299 Start of MODEL 18 1 H1 MET 39 HT1 MET 39 43.634 1.763 10.761 2 H2 MET 39 HT2 MET 39 44.240 0.177 10.828 3 H3 MET 39 HT3 MET 39 44.792 1.250 9.632 4 HA MET 39 HA MET 39 46.510 1.559 11.015 5 HB2 MET 39 HB2 MET 39 44.338 3.145 12.419 6 HB3 MET 39 HB3 MET 39 46.072 3.391 12.637 7 HG2 MET 39 HG2 MET 39 46.254 3.798 10.160 8 HG3 MET 39 HG3 MET 39 44.493 3.745 10.076 9 HE1 MET 39 HE1 MET 39 47.296 6.839 11.790 10 HE2 MET 39 HE2 MET 39 47.594 5.164 11.332 11 HE3 MET 39 HE3 MET 39 46.936 5.530 12.924 12 H ASN 40 H ASN 40 47.085 -0.356 11.978 13 HA ASN 40 HA ASN 40 45.705 -1.740 13.967 14 HB2 ASN 40 HB2 ASN 40 48.680 -1.585 13.450 15 HB3 ASN 40 HB3 ASN 40 47.909 -2.773 14.498 16 HD21 ASN 40 HD21 ASN 40 49.388 -3.447 12.074 17 HD22 ASN 40 HD22 ASN 40 48.283 -4.153 10.996 18 H GLY 41 H GLY 41 48.012 0.926 14.251 19 HA2 GLY 41 HA2 GLY 41 47.747 0.854 17.184 20 HA3 GLY 41 HA3 GLY 41 48.976 1.736 16.285 21 H GLU 42 H GLU 42 45.505 1.729 15.615 22 HA GLU 42 HA GLU 42 45.269 4.474 15.239 23 HB2 GLU 42 HB2 GLU 42 43.604 2.750 14.548 24 HB3 GLU 42 HB3 GLU 42 43.090 2.629 16.231 25 HG2 GLU 42 HG2 GLU 42 42.589 5.067 16.221 26 HG3 GLU 42 HG3 GLU 42 43.016 5.127 14.517 27 H ASN 43 H ASN 43 45.220 2.657 18.232 28 HA ASN 43 HA ASN 43 43.861 4.314 19.958 29 HB2 ASN 43 HB2 ASN 43 46.385 2.735 20.463 30 HB3 ASN 43 HB3 ASN 43 45.370 3.427 21.725 31 HD21 ASN 43 HD21 ASN 43 45.825 0.573 21.415 32 HD22 ASN 43 HD22 ASN 43 44.332 -0.139 21.032 33 H TYR 44 H TYR 44 46.824 5.086 18.334 34 HA TYR 44 HA TYR 44 48.214 6.600 20.155 35 HB2 TYR 44 HB2 TYR 44 49.290 7.632 18.322 36 HB3 TYR 44 HB3 TYR 44 48.886 6.006 17.818 37 HD1 TYR 44 HD2 TYR 44 46.737 5.712 16.382 38 HD2 TYR 44 HD1 TYR 44 48.659 9.493 17.058 39 HE1 TYR 44 HE2 TYR 44 45.592 6.649 14.394 40 HE2 TYR 44 HE1 TYR 44 47.510 10.431 15.072 41 HH TYR 44 HH TYR 44 46.267 8.828 12.764 42 H PHE 45 H PHE 45 45.396 7.610 18.254 43 HA PHE 45 HA PHE 45 45.497 10.262 19.536 44 HB2 PHE 45 HB2 PHE 45 45.118 9.756 16.975 45 HB3 PHE 45 HB3 PHE 45 43.463 9.483 17.489 46 HD1 PHE 45 HD2 PHE 45 42.247 11.364 18.711 47 HD2 PHE 45 HD1 PHE 45 45.979 11.928 16.666 48 HE1 PHE 45 HE2 PHE 45 41.843 13.810 18.654 49 HE2 PHE 45 HE1 PHE 45 45.578 14.375 16.610 50 HZ PHE 45 HZ PHE 45 43.511 15.316 17.603 51 H LYS 46 H LYS 46 44.206 10.720 21.201 52 HA LYS 46 HA LYS 46 42.647 8.738 22.451 53 HB2 LYS 46 HB2 LYS 46 42.679 11.736 22.843 54 HB3 LYS 46 HB3 LYS 46 41.876 10.594 23.920 55 HG2 LYS 46 HG2 LYS 46 44.058 9.434 24.259 56 HG3 LYS 46 HG3 LYS 46 44.837 10.675 23.276 57 HD2 LYS 46 HD2 LYS 46 43.988 12.406 24.866 58 HD3 LYS 46 HD3 LYS 46 43.352 11.113 25.882 59 HE2 LYS 46 HE2 LYS 46 45.502 11.701 26.781 60 HE3 LYS 46 HE3 LYS 46 45.699 10.155 25.954 61 HZ1 LYS 46 HZ1 LYS 46 47.345 12.110 25.521 62 HZ2 LYS 46 HZ2 LYS 46 46.138 12.630 24.445 63 HZ3 LYS 46 HZ3 LYS 46 46.854 11.103 24.247 64 H LEU 47 H LEU 47 41.706 11.492 20.410 65 HA LEU 47 HA LEU 47 38.888 10.717 20.667 66 HB2 LEU 47 HB2 LEU 47 40.124 13.096 19.261 67 HB3 LEU 47 HB3 LEU 47 38.403 12.830 19.540 68 HG LEU 47 HG LEU 47 40.490 13.086 21.728 69 HD11 LEU 47 HD11 LEU 47 39.483 15.286 22.143 70 HD12 LEU 47 HD12 LEU 47 38.366 15.045 20.799 71 HD13 LEU 47 HD13 LEU 47 40.094 15.205 20.490 72 HD21 LEU 47 HD21 LEU 47 38.722 11.799 22.617 73 HD22 LEU 47 HD22 LEU 47 37.502 12.667 21.685 74 HD23 LEU 47 HD23 LEU 47 38.280 13.447 23.061 75 H GLY 48 H GLY 48 37.794 9.673 19.131 76 HA2 GLY 48 HA2 GLY 48 39.051 8.509 16.892 77 HA3 GLY 48 HA3 GLY 48 37.313 8.589 17.159 78 H SER 49 H SER 49 37.130 11.464 17.242 79 HA SER 49 HA SER 49 37.682 12.096 14.396 80 HB2 SER 49 HB2 SER 49 35.599 13.428 14.436 81 HB3 SER 49 HB3 SER 49 35.304 11.721 14.753 82 HG SER 49 HG SER 49 34.692 13.737 16.262 83 H ASP 50 H ASP 50 38.539 14.024 13.908 84 HA ASP 50 HA ASP 50 39.791 15.577 15.952 85 HB2 ASP 50 HB2 ASP 50 39.438 16.095 12.996 86 HB3 ASP 50 HB3 ASP 50 40.467 17.043 14.066 87 H SER 51 H SER 51 36.755 15.858 14.230 88 HA SER 51 HA SER 51 36.300 18.600 14.377 89 HB2 SER 51 HB2 SER 51 33.948 18.071 14.129 90 HB3 SER 51 HB3 SER 51 34.898 16.975 13.132 91 HG SER 51 HG SER 51 33.208 16.312 14.936 92 H LYS 52 H LYS 52 36.085 16.194 16.928 93 HA LYS 52 HA LYS 52 34.378 17.489 18.714 94 HB2 LYS 52 HB2 LYS 52 36.800 15.768 19.278 95 HB3 LYS 52 HB3 LYS 52 35.605 16.236 20.487 96 HG2 LYS 52 HG2 LYS 52 33.829 15.183 19.088 97 HG3 LYS 52 HG3 LYS 52 35.077 14.632 17.970 98 HD2 LYS 52 HD2 LYS 52 36.175 13.418 19.855 99 HD3 LYS 52 HD3 LYS 52 34.831 13.887 20.898 100 HE2 LYS 52 HE2 LYS 52 33.303 12.802 19.143 101 HE3 LYS 52 HE3 LYS 52 34.768 12.079 18.480 102 HZ1 LYS 52 HZ1 LYS 52 33.267 11.222 20.669 103 HZ2 LYS 52 HZ2 LYS 52 34.772 11.739 21.264 104 HZ3 LYS 52 HZ3 LYS 52 34.697 10.549 20.054 105 H LEU 53 H LEU 53 37.817 18.014 18.095 106 HA LEU 53 HA LEU 53 38.439 19.606 20.307 107 HB2 LEU 53 HB2 LEU 53 39.521 19.844 17.491 108 HB3 LEU 53 HB3 LEU 53 40.282 20.476 18.949 109 HG LEU 53 HG LEU 53 39.673 17.546 18.458 110 HD11 LEU 53 HD11 LEU 53 42.121 17.326 18.180 111 HD12 LEU 53 HD12 LEU 53 42.293 19.074 18.333 112 HD13 LEU 53 HD13 LEU 53 41.436 18.390 16.952 113 HD21 LEU 53 HD21 LEU 53 40.948 19.109 20.696 114 HD22 LEU 53 HD22 LEU 53 41.408 17.431 20.410 115 HD23 LEU 53 HD23 LEU 53 39.735 17.833 20.791 116 H LEU 54 H LEU 54 36.913 20.467 17.231 117 HA LEU 54 HA LEU 54 36.792 23.284 18.065 118 HB2 LEU 54 HB2 LEU 54 36.006 22.004 15.436 119 HB3 LEU 54 HB3 LEU 54 36.073 23.733 15.773 120 HG LEU 54 HG LEU 54 38.444 21.848 15.934 121 HD11 LEU 54 HD11 LEU 54 37.750 22.127 13.618 122 HD12 LEU 54 HD12 LEU 54 39.195 23.100 13.895 123 HD13 LEU 54 HD13 LEU 54 37.610 23.871 13.834 124 HD21 LEU 54 HD21 LEU 54 39.597 24.203 15.849 125 HD22 LEU 54 HD22 LEU 54 38.941 23.628 17.382 126 HD23 LEU 54 HD23 LEU 54 38.034 24.793 16.416 127 H THR 55 H THR 55 34.961 24.247 18.706 128 HA THR 55 HA THR 55 32.415 22.746 18.459 129 HB THR 55 HB THR 55 31.737 23.746 20.594 130 HG1 THR 55 HG1 THR 55 34.324 24.773 20.586 131 HG21 THR 55 HG21 THR 55 33.416 22.537 22.038 132 HG22 THR 55 HG22 THR 55 34.386 22.278 20.588 133 HG23 THR 55 HG23 THR 55 32.775 21.571 20.708 134 H HIS 56 H HIS 56 33.684 25.008 16.779 135 HA HIS 56 HA HIS 56 32.335 27.417 17.191 136 HB2 HIS 56 HB2 HIS 56 33.258 26.116 14.632 137 HB3 HIS 56 HB3 HIS 56 32.670 27.765 14.734 138 HD1 HIS 56 HD1 HIS 56 35.613 25.606 15.502 139 HD2 HIS 56 HD2 HIS 56 34.475 29.580 16.040 140 HE1 HIS 56 HE1 HIS 56 37.706 26.866 16.165 141 H ASN 57 H ASN 57 31.255 24.457 15.596 142 HA ASN 57 HA ASN 57 28.819 25.756 14.643 143 HB2 ASN 57 HB2 ASN 57 29.820 22.912 14.371 144 HB3 ASN 57 HB3 ASN 57 28.345 23.536 13.636 145 HD21 ASN 57 HD21 ASN 57 30.681 22.517 12.162 146 HD22 ASN 57 HD22 ASN 57 31.274 23.812 11.239 147 H SER 58 H SER 58 26.803 25.431 15.443 148 HA SER 58 HA SER 58 26.554 23.737 17.865 149 HB2 SER 58 HB2 SER 58 26.296 26.180 18.279 150 HB3 SER 58 HB3 SER 58 24.958 26.204 17.134 151 HG SER 58 HG SER 58 23.790 25.394 18.661 152 H TYR 59 H TYR 59 25.083 22.146 17.826 153 HA TYR 59 HA TYR 59 23.827 21.388 15.411 154 HB2 TYR 59 HB2 TYR 59 24.455 19.841 17.259 155 HB3 TYR 59 HB3 TYR 59 23.141 20.501 18.215 156 HD1 TYR 59 HD1 TYR 59 23.994 18.540 15.190 157 HD2 TYR 59 HD2 TYR 59 20.862 19.833 17.830 158 HE1 TYR 59 HE1 TYR 59 22.444 16.905 14.153 159 HE2 TYR 59 HE2 TYR 59 19.312 18.200 16.793 160 HH TYR 59 HH TYR 59 19.193 16.462 15.361 161 H GLN 60 H GLN 60 22.582 22.990 18.328 162 HA GLN 60 HA GLN 60 19.980 23.358 16.982 163 HB2 GLN 60 HB2 GLN 60 20.784 23.673 19.883 164 HB3 GLN 60 HB3 GLN 60 19.170 23.992 19.246 165 HG2 GLN 60 HG2 GLN 60 18.975 21.672 18.494 166 HG3 GLN 60 HG3 GLN 60 20.617 21.338 19.039 167 HE21 GLN 60 HE21 GLN 60 18.370 19.881 20.060 168 HE22 GLN 60 HE22 GLN 60 18.187 20.271 21.702 169 H ASN 61 H ASN 61 19.919 25.192 15.827 170 HA ASN 61 HA ASN 61 21.474 27.504 16.328 171 HB2 ASN 61 HB2 ASN 61 20.308 26.873 14.161 172 HB3 ASN 61 HB3 ASN 61 18.814 27.445 14.899 173 HD21 ASN 61 HD21 ASN 61 18.750 29.192 13.246 174 HD22 ASN 61 HD22 ASN 61 19.753 30.552 13.416 175 H ARG 62 H ARG 62 18.174 26.601 17.230 176 HA ARG 62 HA ARG 62 18.174 28.780 19.226 177 HB2 ARG 62 HB2 ARG 62 15.870 27.957 17.439 178 HB3 ARG 62 HB3 ARG 62 15.755 29.100 18.778 179 HG2 ARG 62 HG2 ARG 62 17.476 30.521 17.672 180 HG3 ARG 62 HG3 ARG 62 17.480 29.407 16.303 181 HD2 ARG 62 HD2 ARG 62 15.005 29.813 16.068 182 HD3 ARG 62 HD3 ARG 62 15.150 31.069 17.294 183 HE ARG 62 HE ARG 62 17.060 31.635 15.352 184 HH11 ARG 62 HH11 ARG 62 13.559 31.400 15.469 185 HH12 ARG 62 HH12 ARG 62 13.340 32.555 14.196 186 HH21 ARG 62 HH21 ARG 62 16.715 33.114 13.720 187 HH22 ARG 62 HH22 ARG 62 15.105 33.512 13.219 188 H LEU 63 H LEU 63 16.644 28.376 21.021 189 HA LEU 63 HA LEU 63 16.508 25.491 21.626 190 HB2 LEU 63 HB2 LEU 63 17.688 26.998 23.231 191 HB3 LEU 63 HB3 LEU 63 16.166 27.851 23.492 192 HG LEU 63 HG LEU 63 15.149 25.600 24.112 193 HD11 LEU 63 HD11 LEU 63 18.077 24.870 23.942 194 HD12 LEU 63 HD12 LEU 63 16.703 24.049 23.200 195 HD13 LEU 63 HD13 LEU 63 16.947 23.960 24.945 196 HD21 LEU 63 HD21 LEU 63 15.608 27.100 25.899 197 HD22 LEU 63 HD22 LEU 63 17.352 26.902 25.722 198 HD23 LEU 63 HD23 LEU 63 16.376 25.586 26.379 199 H PHE 64 H PHE 64 14.610 24.505 21.408 200 HA PHE 64 HA PHE 64 12.156 26.109 21.292 201 HB2 PHE 64 HB2 PHE 64 12.709 23.226 20.594 202 HB3 PHE 64 HB3 PHE 64 11.133 23.987 20.482 203 HD1 PHE 64 HD1 PHE 64 10.738 25.801 18.815 204 HD2 PHE 64 HD2 PHE 64 14.413 23.580 18.949 205 HE1 PHE 64 HE1 PHE 64 11.299 26.591 16.532 206 HE2 PHE 64 HE2 PHE 64 14.974 24.370 16.666 207 HZ PHE 64 HZ PHE 64 13.418 25.876 15.458 208 H TYR 65 H TYR 65 10.704 26.145 22.906 209 HA TYR 65 HA TYR 65 10.788 23.971 24.926 210 HB2 TYR 65 HB2 TYR 65 11.530 26.258 25.732 211 HB3 TYR 65 HB3 TYR 65 9.895 26.811 25.418 212 HD1 TYR 65 HD2 TYR 65 12.033 24.710 27.546 213 HD2 TYR 65 HD1 TYR 65 8.029 26.095 26.832 214 HE1 TYR 65 HE2 TYR 65 11.351 23.890 29.784 215 HE2 TYR 65 HE1 TYR 65 7.347 25.274 29.072 216 HH TYR 65 HH TYR 65 8.184 24.508 31.069 217 H THR 66 H THR 66 8.808 23.125 25.580 218 HA THR 66 HA THR 66 6.539 23.826 23.814 219 HB THR 66 HB THR 66 7.001 21.266 25.359 220 HG1 THR 66 HG1 THR 66 7.565 20.524 23.292 221 HG21 THR 66 HG21 THR 66 4.991 22.176 23.296 222 HG22 THR 66 HG22 THR 66 4.680 21.517 24.901 223 HG23 THR 66 HG23 THR 66 5.293 20.470 23.622 224 H LEU 67 H LEU 67 4.568 24.306 24.637 225 HA LEU 67 HA LEU 67 4.410 25.001 27.450 226 HB2 LEU 67 HB2 LEU 67 2.488 25.301 25.134 227 HB3 LEU 67 HB3 LEU 67 2.137 25.856 26.768 228 HG LEU 67 HG LEU 67 4.576 26.723 25.191 229 HD11 LEU 67 HD11 LEU 67 1.795 27.852 25.382 230 HD12 LEU 67 HD12 LEU 67 2.828 27.686 23.964 231 HD13 LEU 67 HD13 LEU 67 3.169 28.934 25.162 232 HD21 LEU 67 HD21 LEU 67 5.049 27.131 27.444 233 HD22 LEU 67 HD22 LEU 67 3.357 27.413 27.852 234 HD23 LEU 67 HD23 LEU 67 4.269 28.642 26.978 235 H LYS 68 H LYS 68 3.472 23.832 28.991 236 HA LYS 68 HA LYS 68 1.726 21.569 28.217 237 HB2 LYS 68 HB2 LYS 68 4.007 20.811 28.897 238 HB3 LYS 68 HB3 LYS 68 3.751 21.571 30.468 239 HG2 LYS 68 HG2 LYS 68 1.819 20.139 30.891 240 HG3 LYS 68 HG3 LYS 68 1.967 19.423 29.285 241 HD2 LYS 68 HD2 LYS 68 2.995 17.908 30.863 242 HD3 LYS 68 HD3 LYS 68 4.282 18.660 29.920 243 HE2 LYS 68 HE2 LYS 68 4.942 20.053 31.688 244 HE3 LYS 68 HE3 LYS 68 3.395 19.890 32.519 245 HZ1 LYS 68 HZ1 LYS 68 4.432 17.335 32.282 246 HZ2 LYS 68 HZ2 LYS 68 4.300 18.267 33.697 247 HZ3 LYS 68 HZ3 LYS 68 5.728 18.312 32.778 248 H THR 69 H THR 69 -0.022 21.166 29.548 249 HA THR 69 HA THR 69 -1.279 23.317 30.762 250 HB THR 69 HB THR 69 -2.488 21.316 30.067 251 HG1 THR 69 HG1 THR 69 -2.687 21.652 32.820 252 HG21 THR 69 HG21 THR 69 -0.653 19.734 30.824 253 HG22 THR 69 HG22 THR 69 -2.292 19.221 31.222 254 HG23 THR 69 HG23 THR 69 -1.265 19.933 32.466 255 H GLY 70 H GLY 70 -1.296 24.220 32.736 256 HA2 GLY 70 HA2 GLY 70 -1.104 24.042 35.151 257 HA3 GLY 70 HA3 GLY 70 0.216 22.907 34.914 258 H GLU 71 H GLU 71 1.390 24.626 32.733 259 HA GLU 71 HA GLU 71 2.614 26.655 34.507 260 HB2 GLU 71 HB2 GLU 71 4.087 24.843 33.544 261 HB3 GLU 71 HB3 GLU 71 3.760 25.524 31.949 262 HG2 GLU 71 HG2 GLU 71 4.607 27.724 32.745 263 HG3 GLU 71 HG3 GLU 71 5.004 26.989 34.292 264 H THR 72 H THR 72 2.906 28.765 33.756 265 HA THR 72 HA THR 72 1.239 29.486 31.412 266 HB THR 72 HB THR 72 0.827 31.620 32.517 267 HG1 THR 72 HG1 THR 72 1.776 32.061 34.392 268 HG21 THR 72 HG21 THR 72 -0.645 29.673 33.021 269 HG22 THR 72 HG22 THR 72 -0.555 30.819 34.358 270 HG23 THR 72 HG23 THR 72 0.360 29.314 34.426 271 H VAL 73 H VAL 73 1.899 31.410 30.232 272 HA VAL 73 HA VAL 73 4.568 31.311 29.382 273 HB VAL 73 HB VAL 73 2.614 33.615 29.127 274 HG11 VAL 73 HG11 VAL 73 5.039 32.866 27.464 275 HG12 VAL 73 HG12 VAL 73 4.957 34.220 28.592 276 HG13 VAL 73 HG13 VAL 73 3.945 34.212 27.147 277 HG21 VAL 73 HG21 VAL 73 2.148 32.571 26.897 278 HG22 VAL 73 HG22 VAL 73 1.646 31.559 28.252 279 HG23 VAL 73 HG23 VAL 73 3.134 31.191 27.379 280 H ALA 74 H ALA 74 2.953 33.478 31.688 281 HA ALA 74 HA ALA 74 5.099 35.234 32.130 282 HB1 ALA 74 HB1 ALA 74 2.665 34.445 33.665 283 HB2 ALA 74 HB2 ALA 74 3.159 36.032 33.075 284 HB3 ALA 74 HB3 ALA 74 3.922 35.349 34.511 285 H ASP 75 H ASP 75 4.331 32.094 33.594 286 HA ASP 75 HA ASP 75 6.237 32.159 35.666 287 HB2 ASP 75 HB2 ASP 75 5.132 29.815 34.103 288 HB3 ASP 75 HB3 ASP 75 6.077 29.672 35.583 289 H LEU 76 H LEU 76 6.454 30.961 32.328 290 HA LEU 76 HA LEU 76 9.094 30.020 32.412 291 HB2 LEU 76 HB2 LEU 76 7.509 31.234 30.139 292 HB3 LEU 76 HB3 LEU 76 9.083 30.464 29.933 293 HG LEU 76 HG LEU 76 6.821 29.024 31.313 294 HD11 LEU 76 HD11 LEU 76 6.335 27.968 29.107 295 HD12 LEU 76 HD12 LEU 76 7.439 29.111 28.342 296 HD13 LEU 76 HD13 LEU 76 5.966 29.692 29.117 297 HD21 LEU 76 HD21 LEU 76 9.100 28.113 31.532 298 HD22 LEU 76 HD22 LEU 76 9.288 28.138 29.778 299 HD23 LEU 76 HD23 LEU 76 8.113 27.054 30.524 300 H SER 77 H SER 77 7.820 33.243 31.715 301 HA SER 77 HA SER 77 10.211 34.462 30.898 302 HB2 SER 77 HB2 SER 77 7.893 35.414 30.679 303 HB3 SER 77 HB3 SER 77 7.943 35.783 32.399 304 HG SER 77 HG SER 77 9.717 36.701 30.446 305 H LYS 78 H LYS 78 8.775 34.147 34.123 306 HA LYS 78 HA LYS 78 10.634 35.779 35.479 307 HB2 LYS 78 HB2 LYS 78 8.433 35.055 36.394 308 HB3 LYS 78 HB3 LYS 78 9.084 33.429 36.588 309 HG2 LYS 78 HG2 LYS 78 9.346 34.456 38.714 310 HG3 LYS 78 HG3 LYS 78 10.948 34.511 37.986 311 HD2 LYS 78 HD2 LYS 78 10.591 36.829 37.291 312 HD3 LYS 78 HD3 LYS 78 8.943 36.785 37.920 313 HE2 LYS 78 HE2 LYS 78 10.391 37.868 39.555 314 HE3 LYS 78 HE3 LYS 78 9.865 36.309 40.190 315 HZ1 LYS 78 HZ1 LYS 78 11.923 35.397 39.927 316 HZ2 LYS 78 HZ2 LYS 78 12.369 37.007 40.241 317 HZ3 LYS 78 HZ3 LYS 78 12.352 36.422 38.645 318 H SER 79 H SER 79 10.550 32.258 34.974 319 HA SER 79 HA SER 79 12.781 31.635 36.570 320 HB2 SER 79 HB2 SER 79 11.119 29.982 35.704 321 HB3 SER 79 HB3 SER 79 11.836 30.159 34.106 322 HG SER 79 HG SER 79 13.688 29.317 34.925 323 H GLN 80 H GLN 80 12.535 32.380 33.113 324 HA GLN 80 HA GLN 80 15.350 31.982 32.653 325 HB2 GLN 80 HB2 GLN 80 13.180 33.170 30.923 326 HB3 GLN 80 HB3 GLN 80 14.830 32.847 30.384 327 HG2 GLN 80 HG2 GLN 80 14.568 30.472 30.890 328 HG3 GLN 80 HG3 GLN 80 12.953 30.761 31.528 329 HE21 GLN 80 HE21 GLN 80 13.380 28.956 29.363 330 HE22 GLN 80 HE22 GLN 80 12.674 29.613 27.967 331 H ASP 81 H ASP 81 13.738 34.551 34.110 332 HA ASP 81 HA ASP 81 14.330 36.719 34.577 333 HB2 ASP 81 HB2 ASP 81 16.477 35.543 35.172 334 HB3 ASP 81 HB3 ASP 81 17.064 35.928 33.556 335 H ILE 82 H ILE 82 13.097 36.270 32.128 336 HA ILE 82 HA ILE 82 14.406 38.259 30.363 337 HB ILE 82 HB ILE 82 12.535 36.011 29.562 338 HG12 ILE 82 HG12 ILE 82 15.505 36.325 29.027 339 HG13 ILE 82 HG13 ILE 82 14.840 35.292 30.292 340 HG21 ILE 82 HG21 ILE 82 14.123 38.021 27.933 341 HG22 ILE 82 HG22 ILE 82 12.369 37.991 28.110 342 HG23 ILE 82 HG23 ILE 82 13.191 36.682 27.263 343 HD11 ILE 82 HD11 ILE 82 14.513 35.021 27.303 344 HD12 ILE 82 HD12 ILE 82 13.437 34.202 28.435 345 HD13 ILE 82 HD13 ILE 82 15.164 33.841 28.442 346 H ASN 83 H ASN 83 13.046 39.816 29.383 347 HA ASN 83 HA ASN 83 10.701 40.467 30.981 348 HB2 ASN 83 HB2 ASN 83 12.065 41.933 28.713 349 HB3 ASN 83 HB3 ASN 83 10.696 42.557 29.629 350 HD21 ASN 83 HD21 ASN 83 13.328 43.814 29.568 351 HD22 ASN 83 HD22 ASN 83 13.947 43.754 31.148 352 H LEU 84 H LEU 84 8.607 40.438 30.296 353 HA LEU 84 HA LEU 84 7.826 38.633 28.310 354 HB2 LEU 84 HB2 LEU 84 6.245 40.951 29.451 355 HB3 LEU 84 HB3 LEU 84 5.567 39.575 28.580 356 HG LEU 84 HG LEU 84 7.164 39.362 31.150 357 HD11 LEU 84 HD11 LEU 84 4.217 39.536 30.567 358 HD12 LEU 84 HD12 LEU 84 5.144 40.322 31.846 359 HD13 LEU 84 HD13 LEU 84 4.784 38.598 31.950 360 HD21 LEU 84 HD21 LEU 84 7.355 37.329 29.886 361 HD22 LEU 84 HD22 LEU 84 5.650 37.375 29.436 362 HD23 LEU 84 HD23 LEU 84 6.113 37.038 31.104 363 H SER 85 H SER 85 8.319 42.135 28.132 364 HA SER 85 HA SER 85 7.151 42.580 25.613 365 HB2 SER 85 HB2 SER 85 7.917 44.363 27.204 366 HB3 SER 85 HB3 SER 85 9.576 43.985 26.756 367 HG SER 85 HG SER 85 8.173 45.634 25.547 368 H THR 86 H THR 86 10.456 41.642 26.521 369 HA THR 86 HA THR 86 11.562 41.710 23.926 370 HB THR 86 HB THR 86 12.360 39.897 26.215 371 HG1 THR 86 HG1 THR 86 13.034 42.525 25.606 372 HG21 THR 86 HG21 THR 86 13.392 39.324 24.060 373 HG22 THR 86 HG22 THR 86 14.587 40.038 25.143 374 HG23 THR 86 HG23 THR 86 13.890 41.002 23.841 375 H ILE 87 H ILE 87 9.969 39.109 25.738 376 HA ILE 87 HA ILE 87 10.479 37.005 23.958 377 HB ILE 87 HB ILE 87 8.030 37.410 25.700 378 HG12 ILE 87 HG12 ILE 87 10.624 35.952 26.291 379 HG13 ILE 87 HG13 ILE 87 10.236 37.563 26.893 380 HG21 ILE 87 HG21 ILE 87 7.831 35.617 23.968 381 HG22 ILE 87 HG22 ILE 87 7.835 34.977 25.612 382 HG23 ILE 87 HG23 ILE 87 9.290 34.869 24.619 383 HD11 ILE 87 HD11 ILE 87 8.769 34.983 27.493 384 HD12 ILE 87 HD12 ILE 87 8.148 36.576 27.924 385 HD13 ILE 87 HD13 ILE 87 9.657 35.997 28.630 386 H TRP 88 H TRP 88 7.767 39.295 24.094 387 HA TRP 88 HA TRP 88 6.308 38.257 21.930 388 HB2 TRP 88 HB2 TRP 88 5.420 39.919 23.514 389 HB3 TRP 88 HB3 TRP 88 6.500 41.128 22.842 390 HD1 TRP 88 HD1 TRP 88 3.530 38.906 21.802 391 HE1 TRP 88 HE1 TRP 88 2.240 40.108 19.924 392 HE3 TRP 88 HE3 TRP 88 6.575 42.942 21.088 393 HZ2 TRP 88 HZ2 TRP 88 2.469 42.475 18.327 394 HZ3 TRP 88 HZ3 TRP 88 6.017 44.651 19.387 395 HH2 TRP 88 HH2 TRP 88 3.972 44.425 18.006 396 H SER 89 H SER 89 8.839 40.774 21.979 397 HA SER 89 HA SER 89 8.634 41.618 19.346 398 HB2 SER 89 HB2 SER 89 10.870 42.471 19.569 399 HB3 SER 89 HB3 SER 89 10.080 42.626 21.135 400 HG SER 89 HG SER 89 11.919 40.706 20.310 401 H LEU 90 H LEU 90 10.452 38.848 20.634 402 HA LEU 90 HA LEU 90 11.546 38.107 18.094 403 HB2 LEU 90 HB2 LEU 90 11.162 36.459 20.605 404 HB3 LEU 90 HB3 LEU 90 12.166 36.011 19.226 405 HG LEU 90 HG LEU 90 12.553 38.538 20.853 406 HD11 LEU 90 HD11 LEU 90 12.982 36.200 21.961 407 HD12 LEU 90 HD12 LEU 90 14.223 37.448 22.083 408 HD13 LEU 90 HD13 LEU 90 14.388 36.154 20.896 409 HD21 LEU 90 HD21 LEU 90 13.447 38.812 18.645 410 HD22 LEU 90 HD22 LEU 90 14.102 37.174 18.638 411 HD23 LEU 90 HD23 LEU 90 14.819 38.407 19.677 412 H ASN 91 H ASN 91 8.824 36.833 20.019 413 HA ASN 91 HA ASN 91 8.183 34.943 17.904 414 HB2 ASN 91 HB2 ASN 91 6.995 35.390 20.641 415 HB3 ASN 91 HB3 ASN 91 6.472 34.131 19.522 416 HD21 ASN 91 HD21 ASN 91 9.576 35.361 20.927 417 HD22 ASN 91 HD22 ASN 91 10.251 33.815 21.118 418 H LYS 92 H LYS 92 7.475 38.104 18.049 419 HA LYS 92 HA LYS 92 4.765 38.424 17.789 420 HB2 LYS 92 HB2 LYS 92 5.238 40.299 16.268 421 HB3 LYS 92 HB3 LYS 92 6.333 40.289 17.649 422 HG2 LYS 92 HG2 LYS 92 8.101 39.296 16.317 423 HG3 LYS 92 HG3 LYS 92 7.008 39.085 14.951 424 HD2 LYS 92 HD2 LYS 92 8.245 41.041 14.437 425 HD3 LYS 92 HD3 LYS 92 6.688 41.629 15.014 426 HE2 LYS 92 HE2 LYS 92 7.938 41.603 17.363 427 HE3 LYS 92 HE3 LYS 92 9.367 41.736 16.340 428 HZ1 LYS 92 HZ1 LYS 92 7.745 43.540 15.222 429 HZ2 LYS 92 HZ2 LYS 92 8.896 43.909 16.416 430 HZ3 LYS 92 HZ3 LYS 92 7.270 43.665 16.846 431 H HIS 93 H HIS 93 6.902 36.805 15.523 432 HA HIS 93 HA HIS 93 5.057 36.841 13.335 433 HB2 HIS 93 HB2 HIS 93 6.562 35.365 12.237 434 HB3 HIS 93 HB3 HIS 93 7.512 36.558 13.093 435 HD1 HIS 93 HD1 HIS 93 8.824 35.691 15.254 436 HD2 HIS 93 HD2 HIS 93 6.993 32.713 12.975 437 HE1 HIS 93 HE1 HIS 93 9.873 33.504 15.958 438 H LEU 94 H LEU 94 5.713 34.597 15.986 439 HA LEU 94 HA LEU 94 4.084 32.480 14.976 440 HB2 LEU 94 HB2 LEU 94 4.926 33.068 17.823 441 HB3 LEU 94 HB3 LEU 94 4.277 31.540 17.231 442 HG LEU 94 HG LEU 94 6.822 32.840 16.223 443 HD11 LEU 94 HD11 LEU 94 6.719 31.859 18.642 444 HD12 LEU 94 HD12 LEU 94 8.040 31.366 17.586 445 HD13 LEU 94 HD13 LEU 94 6.658 30.298 17.826 446 HD21 LEU 94 HD21 LEU 94 7.139 30.504 15.252 447 HD22 LEU 94 HD22 LEU 94 5.863 31.463 14.501 448 HD23 LEU 94 HD23 LEU 94 5.451 30.198 15.659 449 H TYR 95 H TYR 95 3.496 35.115 17.287 450 HA TYR 95 HA TYR 95 0.624 34.374 17.308 451 HB2 TYR 95 HB2 TYR 95 2.176 35.923 19.382 452 HB3 TYR 95 HB3 TYR 95 0.496 35.433 19.485 453 HD1 TYR 95 HD2 TYR 95 -0.065 32.971 19.632 454 HD2 TYR 95 HD1 TYR 95 3.945 34.467 20.000 455 HE1 TYR 95 HE2 TYR 95 0.634 30.838 20.685 456 HE2 TYR 95 HE1 TYR 95 4.644 32.333 21.055 457 HH TYR 95 HH TYR 95 3.751 29.915 21.055 458 H SER 96 H SER 96 -0.926 36.011 17.159 459 HA SER 96 HA SER 96 -0.113 38.180 15.436 460 HB2 SER 96 HB2 SER 96 -2.845 37.505 16.547 461 HB3 SER 96 HB3 SER 96 -2.502 38.636 15.241 462 HG SER 96 HG SER 96 -2.772 36.030 15.115 463 H SER 97 H SER 97 -1.282 37.858 18.768 464 HA SER 97 HA SER 97 -0.525 40.618 19.302 465 HB2 SER 97 HB2 SER 97 -2.698 41.351 20.025 466 HB3 SER 97 HB3 SER 97 -2.859 40.723 18.387 467 HG SER 97 HG SER 97 -3.678 39.627 20.781 468 H GLU 98 H GLU 98 -1.006 41.198 21.624 469 HA GLU 98 HA GLU 98 0.209 39.345 23.356 470 HB2 GLU 98 HB2 GLU 98 -1.485 41.776 23.977 471 HB3 GLU 98 HB3 GLU 98 -0.503 40.907 25.156 472 HG2 GLU 98 HG2 GLU 98 0.555 42.207 22.630 473 HG3 GLU 98 HG3 GLU 98 0.668 42.899 24.244 474 H SER 99 H SER 99 -3.198 40.016 22.681 475 HA SER 99 HA SER 99 -4.355 38.841 24.936 476 HB2 SER 99 HB2 SER 99 -5.572 40.164 23.194 477 HB3 SER 99 HB3 SER 99 -5.459 38.773 22.121 478 HG SER 99 HG SER 99 -7.348 38.617 23.227 479 H GLU 100 H GLU 100 -3.416 37.360 21.844 480 HA GLU 100 HA GLU 100 -4.403 34.780 22.397 481 HB2 GLU 100 HB2 GLU 100 -2.153 35.696 20.598 482 HB3 GLU 100 HB3 GLU 100 -2.797 34.052 20.619 483 HG2 GLU 100 HG2 GLU 100 -5.056 34.950 20.124 484 HG3 GLU 100 HG3 GLU 100 -4.380 36.571 20.041 485 H MET 101 H MET 101 -1.326 36.325 23.214 486 HA MET 101 HA MET 101 0.015 33.980 24.077 487 HB2 MET 101 HB2 MET 101 0.364 36.866 24.917 488 HB3 MET 101 HB3 MET 101 1.479 35.561 25.325 489 HG2 MET 101 HG2 MET 101 1.731 35.103 22.863 490 HG3 MET 101 HG3 MET 101 0.778 36.553 22.549 491 HE1 MET 101 HE1 MET 101 3.572 35.733 25.307 492 HE2 MET 101 HE2 MET 101 4.970 36.202 24.343 493 HE3 MET 101 HE3 MET 101 3.900 34.925 23.768 494 H MET 102 H MET 102 -1.908 36.400 25.850 495 HA MET 102 HA MET 102 -1.561 35.326 28.422 496 HB2 MET 102 HB2 MET 102 -3.935 36.823 27.278 497 HB3 MET 102 HB3 MET 102 -3.631 36.564 28.994 498 HG2 MET 102 HG2 MET 102 -1.816 38.068 27.084 499 HG3 MET 102 HG3 MET 102 -2.873 38.801 28.287 500 HE1 MET 102 HE1 MET 102 -2.908 38.299 30.600 501 HE2 MET 102 HE2 MET 102 -1.504 38.016 31.625 502 HE3 MET 102 HE3 MET 102 -2.355 36.649 30.910 503 H LYS 103 H LYS 103 -3.891 34.541 25.889 504 HA LYS 103 HA LYS 103 -5.257 32.616 27.607 505 HB2 LYS 103 HB2 LYS 103 -5.730 33.452 24.742 506 HB3 LYS 103 HB3 LYS 103 -6.733 32.307 25.634 507 HG2 LYS 103 HG2 LYS 103 -7.147 34.065 27.355 508 HG3 LYS 103 HG3 LYS 103 -6.240 35.208 26.364 509 HD2 LYS 103 HD2 LYS 103 -7.833 34.779 24.486 510 HD3 LYS 103 HD3 LYS 103 -8.782 33.760 25.570 511 HE2 LYS 103 HE2 LYS 103 -8.112 36.652 26.170 512 HE3 LYS 103 HE3 LYS 103 -9.606 36.145 25.381 513 HZ1 LYS 103 HZ1 LYS 103 -10.427 35.787 27.392 514 HZ2 LYS 103 HZ2 LYS 103 -8.923 36.071 28.132 515 HZ3 LYS 103 HZ3 LYS 103 -9.324 34.514 27.584 516 H ALA 104 H ALA 104 -2.374 32.278 26.351 517 HA ALA 104 HA ALA 104 -2.349 30.264 24.459 518 HB1 ALA 104 HB1 ALA 104 -0.140 29.642 25.411 519 HB2 ALA 104 HB2 ALA 104 -0.472 30.682 26.796 520 HB3 ALA 104 HB3 ALA 104 -0.317 31.382 25.185 521 H ALA 105 H ALA 105 -2.308 28.038 24.510 522 HA ALA 105 HA ALA 105 -3.162 26.729 27.021 523 HB1 ALA 105 HB1 ALA 105 -4.478 25.202 25.318 524 HB2 ALA 105 HB2 ALA 105 -4.425 26.648 24.309 525 HB3 ALA 105 HB3 ALA 105 -5.186 26.708 25.899 526 HA PRO 106 HA PRO 106 -0.105 23.647 26.341 527 HB2 PRO 106 HB2 PRO 106 -2.121 21.462 26.226 528 HB3 PRO 106 HB3 PRO 106 -0.735 21.667 27.314 529 HG2 PRO 106 HG2 PRO 106 -3.227 22.046 28.155 530 HG3 PRO 106 HG3 PRO 106 -1.883 23.045 28.742 531 HD2 PRO 106 HD2 PRO 106 -4.014 23.743 26.758 532 HD3 PRO 106 HD3 PRO 106 -3.228 24.768 27.979 533 H GLY 107 H GLY 107 0.956 22.590 24.682 534 HA2 GLY 107 HA2 GLY 107 0.982 21.249 22.687 535 HA3 GLY 107 HA3 GLY 107 -0.578 21.923 22.251 536 H GLN 108 H GLN 108 0.773 24.663 23.152 537 HA GLN 108 HA GLN 108 1.654 25.285 20.442 538 HB2 GLN 108 HB2 GLN 108 1.165 27.026 22.864 539 HB3 GLN 108 HB3 GLN 108 1.716 27.638 21.303 540 HG2 GLN 108 HG2 GLN 108 -0.284 26.650 20.223 541 HG3 GLN 108 HG3 GLN 108 -0.848 26.101 21.800 542 HE21 GLN 108 HE21 GLN 108 -0.510 28.913 19.715 543 HE22 GLN 108 HE22 GLN 108 -1.333 29.993 20.733 544 H GLN 109 H GLN 109 3.647 26.409 20.010 545 HA GLN 109 HA GLN 109 5.811 25.544 21.841 546 HB2 GLN 109 HB2 GLN 109 5.822 25.927 18.839 547 HB3 GLN 109 HB3 GLN 109 7.242 25.529 19.808 548 HG2 GLN 109 HG2 GLN 109 6.187 23.459 20.567 549 HG3 GLN 109 HG3 GLN 109 4.714 23.861 19.689 550 HE21 GLN 109 HE21 GLN 109 6.162 21.451 19.153 551 HE22 GLN 109 HE22 GLN 109 6.813 21.557 17.588 552 H ILE 110 H ILE 110 7.523 26.906 22.238 553 HA ILE 110 HA ILE 110 7.296 29.701 21.298 554 HB ILE 110 HB ILE 110 8.221 28.731 24.019 555 HG12 ILE 110 HG12 ILE 110 5.777 30.361 23.271 556 HG13 ILE 110 HG13 ILE 110 5.741 28.624 23.576 557 HG21 ILE 110 HG21 ILE 110 9.434 30.730 23.303 558 HG22 ILE 110 HG22 ILE 110 8.270 31.163 24.556 559 HG23 ILE 110 HG23 ILE 110 7.920 31.521 22.865 560 HD11 ILE 110 HD11 ILE 110 6.549 28.962 25.850 561 HD12 ILE 110 HD12 ILE 110 5.122 29.963 25.588 562 HD13 ILE 110 HD13 ILE 110 6.726 30.693 25.562 563 H ILE 111 H ILE 111 9.143 30.568 20.452 564 HA ILE 111 HA ILE 111 11.543 28.833 20.438 565 HB ILE 111 HB ILE 111 10.817 31.061 18.518 566 HG12 ILE 111 HG12 ILE 111 10.727 28.056 18.102 567 HG13 ILE 111 HG13 ILE 111 9.304 29.050 18.411 568 HG21 ILE 111 HG21 ILE 111 12.658 30.111 17.173 569 HG22 ILE 111 HG22 ILE 111 12.972 28.923 18.439 570 HG23 ILE 111 HG23 ILE 111 13.243 30.636 18.752 571 HD11 ILE 111 HD11 ILE 111 10.073 30.467 16.402 572 HD12 ILE 111 HD12 ILE 111 9.399 28.877 16.048 573 HD13 ILE 111 HD13 ILE 111 11.146 29.121 16.020 574 H LEU 112 H LEU 112 13.342 29.504 21.390 575 HA LEU 112 HA LEU 112 13.588 32.351 22.168 576 HB2 LEU 112 HB2 LEU 112 14.551 29.841 23.546 577 HB3 LEU 112 HB3 LEU 112 15.049 31.468 24.012 578 HG LEU 112 HG LEU 112 12.124 30.833 23.746 579 HD11 LEU 112 HD11 LEU 112 12.175 30.313 26.222 580 HD12 LEU 112 HD12 LEU 112 13.929 30.174 26.088 581 HD13 LEU 112 HD13 LEU 112 12.885 29.067 25.196 582 HD21 LEU 112 HD21 LEU 112 12.152 32.530 25.689 583 HD22 LEU 112 HD22 LEU 112 12.584 33.139 24.091 584 HD23 LEU 112 HD23 LEU 112 13.846 32.792 25.273 585 HA PRO 113 HA PRO 113 17.255 31.531 19.502 586 HB2 PRO 113 HB2 PRO 113 17.454 33.979 18.356 587 HB3 PRO 113 HB3 PRO 113 16.323 32.746 17.764 588 HG2 PRO 113 HG2 PRO 113 15.800 35.138 19.442 589 HG3 PRO 113 HG3 PRO 113 14.815 34.418 18.159 590 HD2 PRO 113 HD2 PRO 113 14.351 34.054 20.863 591 HD3 PRO 113 HD3 PRO 113 13.789 32.953 19.589 592 H LEU 114 H LEU 114 18.444 31.400 21.520 593 HA LEU 114 HA LEU 114 19.474 33.946 22.582 594 HB2 LEU 114 HB2 LEU 114 19.724 31.145 23.703 595 HB3 LEU 114 HB3 LEU 114 20.221 32.636 24.501 596 HG LEU 114 HG LEU 114 17.379 31.988 23.661 597 HD11 LEU 114 HD11 LEU 114 18.643 32.039 26.419 598 HD12 LEU 114 HD12 LEU 114 18.223 30.574 25.532 599 HD13 LEU 114 HD13 LEU 114 16.955 31.685 26.053 600 HD21 LEU 114 HD21 LEU 114 16.968 33.961 25.281 601 HD22 LEU 114 HD22 LEU 114 17.607 34.351 23.684 602 HD23 LEU 114 HD23 LEU 114 18.685 34.316 25.081 603 H LYS 115 H LYS 115 21.615 34.465 22.562 604 HA LYS 115 HA LYS 115 23.478 32.566 21.251 605 HB2 LYS 115 HB2 LYS 115 23.361 35.581 20.984 606 HB3 LYS 115 HB3 LYS 115 24.632 34.555 20.316 607 HG2 LYS 115 HG2 LYS 115 22.900 33.313 19.021 608 HG3 LYS 115 HG3 LYS 115 21.682 34.438 19.623 609 HD2 LYS 115 HD2 LYS 115 22.990 36.320 18.625 610 HD3 LYS 115 HD3 LYS 115 24.097 35.135 17.928 611 HE2 LYS 115 HE2 LYS 115 22.504 34.322 16.435 612 HE3 LYS 115 HE3 LYS 115 21.150 34.853 17.431 613 HZ1 LYS 115 HZ1 LYS 115 22.735 36.346 15.500 614 HZ2 LYS 115 HZ2 LYS 115 22.272 37.185 16.903 615 HZ3 LYS 115 HZ3 LYS 115 21.093 36.488 15.898 616 H LYS 116 H LYS 116 25.326 32.154 22.330 617 HA LYS 116 HA LYS 116 26.086 33.926 24.569 618 HB2 LYS 116 HB2 LYS 116 25.966 30.903 24.692 619 HB3 LYS 116 HB3 LYS 116 26.531 31.974 25.975 620 HG2 LYS 116 HG2 LYS 116 24.252 33.082 25.917 621 HG3 LYS 116 HG3 LYS 116 23.729 31.781 24.847 622 HD2 LYS 116 HD2 LYS 116 24.905 31.366 27.611 623 HD3 LYS 116 HD3 LYS 116 23.182 31.330 27.240 624 HE2 LYS 116 HE2 LYS 116 23.877 29.549 25.444 625 HE3 LYS 116 HE3 LYS 116 25.328 29.386 26.434 626 HZ1 LYS 116 HZ1 LYS 116 22.526 29.081 27.369 627 HZ2 LYS 116 HZ2 LYS 116 23.903 28.986 28.359 628 HZ3 LYS 116 HZ3 LYS 116 23.647 27.829 27.143 629 H LEU 117 H LEU 117 28.290 33.889 25.130 630 HA LEU 117 HA LEU 117 30.085 32.520 23.211 631 HB2 LEU 117 HB2 LEU 117 29.842 35.112 23.062 632 HB3 LEU 117 HB3 LEU 117 30.815 35.118 24.534 633 HG LEU 117 HG LEU 117 32.440 33.580 23.281 634 HD11 LEU 117 HD11 LEU 117 31.200 32.831 21.421 635 HD12 LEU 117 HD12 LEU 117 32.271 34.051 20.731 636 HD13 LEU 117 HD13 LEU 117 30.585 34.446 21.067 637 HD21 LEU 117 HD21 LEU 117 32.015 36.398 22.235 638 HD22 LEU 117 HD22 LEU 117 33.522 35.487 22.159 639 HD23 LEU 117 HD23 LEU 117 32.870 35.983 23.721 640 HA PRO 118 HA PRO 118 30.919 31.135 27.553 641 HB2 PRO 118 HB2 PRO 118 31.830 28.623 26.876 642 HB3 PRO 118 HB3 PRO 118 30.129 29.018 27.184 643 HG2 PRO 118 HG2 PRO 118 31.557 28.706 24.596 644 HG3 PRO 118 HG3 PRO 118 29.918 28.205 25.054 645 HD2 PRO 118 HD2 PRO 118 30.381 30.428 23.563 646 HD3 PRO 118 HD3 PRO 118 29.019 30.310 24.698 647 H PHE 119 H PHE 119 32.930 30.858 24.663 648 HA PHE 119 HA PHE 119 35.365 30.906 26.327 649 HB2 PHE 119 HB2 PHE 119 34.948 30.331 23.395 650 HB3 PHE 119 HB3 PHE 119 36.521 30.428 24.164 651 HD1 PHE 119 HD2 PHE 119 37.199 28.726 25.844 652 HD2 PHE 119 HD1 PHE 119 33.523 28.415 23.645 653 HE1 PHE 119 HE2 PHE 119 37.027 26.333 26.472 654 HE2 PHE 119 HE1 PHE 119 33.350 26.021 24.272 655 HZ PHE 119 HZ PHE 119 35.102 24.981 25.685 656 H GLU 120 H GLU 120 36.538 32.690 26.525 657 HA GLU 120 HA GLU 120 36.059 34.935 24.646 658 HB2 GLU 120 HB2 GLU 120 36.790 35.030 27.584 659 HB3 GLU 120 HB3 GLU 120 36.635 36.432 26.525 660 HG2 GLU 120 HG2 GLU 120 34.275 35.789 26.066 661 HG3 GLU 120 HG3 GLU 120 34.439 34.455 27.201 662 H TYR 121 H TYR 121 37.868 36.168 24.018 663 HA TYR 121 HA TYR 121 40.504 34.936 24.602 664 HB2 TYR 121 HB2 TYR 121 39.421 34.603 22.253 665 HB3 TYR 121 HB3 TYR 121 39.874 36.277 21.998 666 HD1 TYR 121 HD1 TYR 121 41.242 32.944 22.965 667 HD2 TYR 121 HD2 TYR 121 42.071 36.830 21.334 668 HE1 TYR 121 HE1 TYR 121 43.533 32.204 22.370 669 HE2 TYR 121 HE2 TYR 121 44.363 36.091 20.739 670 HH TYR 121 HH TYR 121 45.348 33.353 20.351 671 H SER 122 H SER 122 41.976 36.287 25.395 672 HA SER 122 HA SER 122 41.306 38.905 26.167 673 HB2 SER 122 HB2 SER 122 43.010 37.478 27.289 674 HB3 SER 122 HB3 SER 122 44.075 37.716 25.908 675 HG SER 122 HG SER 122 43.215 39.534 27.801 676 H ALA 123 H ALA 123 43.143 37.700 23.389 677 HA ALA 123 HA ALA 123 44.247 40.153 22.568 678 HB1 ALA 123 HB1 ALA 123 44.832 39.081 20.578 679 HB2 ALA 123 HB2 ALA 123 43.408 38.041 20.604 680 HB3 ALA 123 HB3 ALA 123 44.735 37.751 21.732 681 H LEU 124 H LEU 124 41.050 38.774 22.032 682 HA LEU 124 HA LEU 124 40.305 41.211 20.516 683 HB2 LEU 124 HB2 LEU 124 39.169 38.410 20.339 684 HB3 LEU 124 HB3 LEU 124 38.505 39.819 19.510 685 HG LEU 124 HG LEU 124 41.410 39.099 19.190 686 HD11 LEU 124 HD11 LEU 124 40.871 37.711 17.283 687 HD12 LEU 124 HD12 LEU 124 39.152 38.061 17.454 688 HD13 LEU 124 HD13 LEU 124 39.978 37.088 18.670 689 HD21 LEU 124 HD21 LEU 124 39.335 40.576 17.545 690 HD22 LEU 124 HD22 LEU 124 40.956 40.201 16.959 691 HD23 LEU 124 HD23 LEU 124 40.744 41.265 18.348 692 HA PRO 125 HA PRO 125 37.803 41.188 24.387 693 HB2 PRO 125 HB2 PRO 125 38.169 43.758 25.140 694 HB3 PRO 125 HB3 PRO 125 39.370 42.498 25.486 695 HG2 PRO 125 HG2 PRO 125 39.394 44.608 23.405 696 HG3 PRO 125 HG3 PRO 125 40.733 43.930 24.346 697 HD2 PRO 125 HD2 PRO 125 40.112 43.220 21.723 698 HD3 PRO 125 HD3 PRO 125 41.102 42.255 22.837 699 H LEU 126 H LEU 126 35.996 40.936 22.901 700 HA LEU 126 HA LEU 126 34.839 43.408 21.825 701 HB2 LEU 126 HB2 LEU 126 33.928 40.538 21.498 702 HB3 LEU 126 HB3 LEU 126 33.293 41.937 20.634 703 HG LEU 126 HG LEU 126 36.173 40.991 20.509 704 HD11 LEU 126 HD11 LEU 126 35.403 40.523 18.068 705 HD12 LEU 126 HD12 LEU 126 33.772 40.546 18.740 706 HD13 LEU 126 HD13 LEU 126 34.949 39.366 19.320 707 HD21 LEU 126 HD21 LEU 126 36.062 42.570 18.448 708 HD22 LEU 126 HD22 LEU 126 36.180 43.310 20.046 709 HD23 LEU 126 HD23 LEU 126 34.623 43.238 19.219 710 H LEU 127 H LEU 127 33.063 44.361 22.641 711 HA LEU 127 HA LEU 127 31.817 43.129 25.022 712 HB2 LEU 127 HB2 LEU 127 32.895 45.366 25.300 713 HB3 LEU 127 HB3 LEU 127 31.749 46.021 24.130 714 HG LEU 127 HG LEU 127 29.894 45.114 25.624 715 HD11 LEU 127 HD11 LEU 127 30.758 44.935 28.076 716 HD12 LEU 127 HD12 LEU 127 32.323 44.608 27.333 717 HD13 LEU 127 HD13 LEU 127 30.956 43.542 27.013 718 HD21 LEU 127 HD21 LEU 127 30.612 47.513 25.550 719 HD22 LEU 127 HD22 LEU 127 31.741 47.179 26.864 720 HD23 LEU 127 HD23 LEU 127 30.004 47.028 27.133 721 H GLY 128 H GLY 128 29.764 42.467 24.915 722 HA2 GLY 128 HA2 GLY 128 28.206 43.124 22.497 723 HA3 GLY 128 HA3 GLY 128 27.943 41.727 23.538 724 H SER 129 H SER 129 27.885 42.862 26.036 725 HA SER 129 HA SER 129 25.241 43.847 26.192 726 HB2 SER 129 HB2 SER 129 27.448 44.004 28.260 727 HB3 SER 129 HB3 SER 129 25.728 44.217 28.567 728 HG SER 129 HG SER 129 25.911 42.131 28.842 729 H ALA 130 H ALA 130 24.485 45.911 26.858 730 HA ALA 130 HA ALA 130 26.352 48.155 26.364 731 HB1 ALA 130 HB1 ALA 130 24.213 49.308 25.440 732 HB2 ALA 130 HB2 ALA 130 23.605 47.664 25.245 733 HB3 ALA 130 HB3 ALA 130 25.073 48.168 24.406 734 HA PRO 131 HA PRO 131 24.418 48.481 30.617 735 HB2 PRO 131 HB2 PRO 131 26.852 50.184 30.908 736 HB3 PRO 131 HB3 PRO 131 26.170 48.988 32.027 737 HG2 PRO 131 HG2 PRO 131 28.345 48.462 30.591 738 HG3 PRO 131 HG3 PRO 131 27.132 47.215 30.937 739 HD2 PRO 131 HD2 PRO 131 27.658 48.663 28.383 740 HD3 PRO 131 HD3 PRO 131 27.056 47.011 28.644 741 H LEU 132 H LEU 132 22.700 49.815 30.293 742 HA LEU 132 HA LEU 132 22.676 52.217 28.865 743 HB2 LEU 132 HB2 LEU 132 20.657 50.917 29.531 744 HB3 LEU 132 HB3 LEU 132 20.883 51.477 31.188 745 HG LEU 132 HG LEU 132 20.805 53.848 30.285 746 HD11 LEU 132 HD11 LEU 132 20.135 52.274 27.805 747 HD12 LEU 132 HD12 LEU 132 21.243 53.635 27.983 748 HD13 LEU 132 HD13 LEU 132 19.501 53.904 28.030 749 HD21 LEU 132 HD21 LEU 132 18.864 52.914 31.402 750 HD22 LEU 132 HD22 LEU 132 18.404 52.027 29.949 751 HD23 LEU 132 HD23 LEU 132 18.307 53.788 29.975 752 H VAL 133 H VAL 133 23.287 51.604 32.299 753 HA VAL 133 HA VAL 133 24.021 54.460 32.625 754 HB VAL 133 HB VAL 133 23.076 52.527 34.760 755 HG11 VAL 133 HG11 VAL 133 22.942 54.595 36.135 756 HG12 VAL 133 HG12 VAL 133 23.646 55.508 34.800 757 HG13 VAL 133 HG13 VAL 133 24.592 54.259 35.611 758 HG21 VAL 133 HG21 VAL 133 21.651 54.839 33.402 759 HG22 VAL 133 HG22 VAL 133 21.026 53.922 34.774 760 HG23 VAL 133 HG23 VAL 133 21.255 53.131 33.214 761 H ALA 134 H ALA 134 26.041 54.916 33.275 762 HA ALA 134 HA ALA 134 27.856 52.647 33.800 763 HB1 ALA 134 HB1 ALA 134 29.649 54.335 33.275 764 HB2 ALA 134 HB2 ALA 134 28.370 55.472 32.847 765 HB3 ALA 134 HB3 ALA 134 28.567 53.979 31.928 766 H ALA 135 H ALA 135 29.258 52.678 35.567 767 HA ALA 135 HA ALA 135 28.917 54.833 37.539 768 HB1 ALA 135 HB1 ALA 135 27.369 53.372 38.470 769 HB2 ALA 135 HB2 ALA 135 28.853 52.875 39.281 770 HB3 ALA 135 HB3 ALA 135 28.236 51.939 37.920 771 H GLY 136 H GLY 136 30.622 54.985 39.062 772 HA2 GLY 136 HA2 GLY 136 32.967 53.269 38.598 773 HA3 GLY 136 HA3 GLY 136 33.149 55.014 38.439 774 H GLY 137 H GLY 137 34.700 53.750 40.270 775 HA2 GLY 137 HA2 GLY 137 33.596 54.776 42.801 776 HA3 GLY 137 HA3 GLY 137 34.259 53.144 42.758 777 H VAL 138 H VAL 138 35.270 55.163 44.430 778 HA VAL 138 HA VAL 138 38.001 55.402 43.346 779 HB VAL 138 HB VAL 138 36.883 57.583 43.079 780 HG11 VAL 138 HG11 VAL 138 35.298 57.230 45.022 781 HG12 VAL 138 HG12 VAL 138 36.050 58.824 44.960 782 HG13 VAL 138 HG13 VAL 138 36.643 57.612 46.097 783 HG21 VAL 138 HG21 VAL 138 38.527 58.922 44.431 784 HG22 VAL 138 HG22 VAL 138 39.266 57.609 43.515 785 HG23 VAL 138 HG23 VAL 138 38.995 57.430 45.247 786 H ALA 139 H ALA 139 39.611 55.004 44.784 787 HA ALA 139 HA ALA 139 38.799 54.269 47.534 788 HB1 ALA 139 HB1 ALA 139 41.154 53.361 45.862 789 HB2 ALA 139 HB2 ALA 139 39.739 52.401 46.293 790 HB3 ALA 139 HB3 ALA 139 40.879 52.903 47.542 791 H GLY 140 H GLY 140 39.938 55.070 49.279 792 HA2 GLY 140 HA2 GLY 140 41.812 57.294 48.692 793 HA3 GLY 140 HA3 GLY 140 40.696 57.276 50.052 794 H HIS 141 H HIS 141 41.099 54.577 50.848 795 HA HIS 141 HA HIS 141 43.864 54.738 51.905 796 HB2 HIS 141 HB2 HIS 141 42.113 55.076 53.603 797 HB3 HIS 141 HB3 HIS 141 41.401 53.533 53.171 798 HD1 HIS 141 HD1 HIS 141 42.511 51.413 54.091 799 HD2 HIS 141 HD2 HIS 141 44.586 54.897 55.057 800 HE1 HIS 141 HE1 HIS 141 44.242 50.758 55.817 801 H THR 142 H THR 142 45.155 52.971 51.766 802 HA THR 142 HA THR 142 44.046 50.608 50.360 803 HB THR 142 HB THR 142 46.916 51.570 50.422 804 HG1 THR 142 HG1 THR 142 46.330 52.771 48.844 805 HG21 THR 142 HG21 THR 142 46.984 49.283 49.930 806 HG22 THR 142 HG22 THR 142 46.872 50.007 48.326 807 HG23 THR 142 HG23 THR 142 45.436 49.321 49.085 808 H ASN 143 H ASN 143 44.084 48.714 51.374 809 HA ASN 143 HA ASN 143 44.851 48.422 54.064 810 HB2 ASN 143 HB2 ASN 143 44.394 46.330 51.929 811 HB3 ASN 143 HB3 ASN 143 44.556 45.984 53.649 812 HD21 ASN 143 HD21 ASN 143 42.147 45.439 52.106 813 HD22 ASN 143 HD22 ASN 143 40.912 46.416 52.740 814 H GLY 144 H GLY 144 46.582 47.740 51.059 815 HA2 GLY 144 HA2 GLY 144 48.683 46.194 52.045 816 HA3 GLY 144 HA3 GLY 144 48.798 47.267 50.653 817 H SER 145 H SER 145 49.901 46.677 53.761 818 HA SER 145 HA SER 145 50.338 49.271 54.778 819 HB2 SER 145 HB2 SER 145 51.911 48.223 56.289 820 HB3 SER 145 HB3 SER 145 50.518 47.166 56.092 821 HG SER 145 HG SER 145 52.348 45.973 55.794 822 H GLY 146 H GLY 146 52.137 47.363 52.431 823 HA2 GLY 146 HA2 GLY 146 54.632 48.595 52.557 824 HA3 GLY 146 HA3 GLY 146 53.939 47.891 51.100 825 H SER 147 H SER 147 51.708 49.597 50.813 826 HA SER 147 HA SER 147 52.828 51.753 49.389 827 HB2 SER 147 HB2 SER 147 50.001 51.492 50.437 828 HB3 SER 147 HB3 SER 147 50.541 52.542 49.131 829 HG SER 147 HG SER 147 49.774 50.116 48.905 830 H GLU 148 H GLU 148 51.636 51.518 52.693 831 HA GLU 148 HA GLU 148 51.310 54.249 53.246 832 HB2 GLU 148 HB2 GLU 148 52.044 51.968 55.088 833 HB3 GLU 148 HB3 GLU 148 51.531 53.569 55.624 834 HG2 GLU 148 HG2 GLU 148 49.412 53.285 54.351 835 HG3 GLU 148 HG3 GLU 148 49.918 51.659 53.912 836 H ASN 149 H ASN 149 54.234 52.344 53.029 837 HA ASN 149 HA ASN 149 55.920 53.618 54.798 838 HB2 ASN 149 HB2 ASN 149 57.762 52.868 53.404 839 HB3 ASN 149 HB3 ASN 149 56.522 51.622 53.488 840 HD21 ASN 149 HD21 ASN 149 58.450 51.810 51.330 841 HD22 ASN 149 HD22 ASN 149 57.591 52.141 49.906 842 H LEU 150 H LEU 150 56.632 55.600 55.042 843 HA LEU 150 HA LEU 150 56.056 57.734 53.292 844 HB2 LEU 150 HB2 LEU 150 56.514 57.961 55.731 845 HB3 LEU 150 HB3 LEU 150 58.214 57.621 55.408 846 HG LEU 150 HG LEU 150 58.195 59.569 53.788 847 HD11 LEU 150 HD11 LEU 150 55.936 59.937 53.277 848 HD12 LEU 150 HD12 LEU 150 56.281 61.232 54.424 849 HD13 LEU 150 HD13 LEU 150 55.431 59.783 54.961 850 HD21 LEU 150 HD21 LEU 150 57.563 60.060 56.714 851 HD22 LEU 150 HD22 LEU 150 58.222 61.283 55.626 852 HD23 LEU 150 HD23 LEU 150 59.162 59.838 56.002 853 H TYR 151 H TYR 151 58.881 55.640 53.583 854 HA TYR 151 HA TYR 151 60.771 57.143 52.201 855 HB2 TYR 151 HB2 TYR 151 60.384 54.149 52.161 856 HB3 TYR 151 HB3 TYR 151 61.840 54.993 51.668 857 HD1 TYR 151 HD2 TYR 151 63.151 56.299 53.396 858 HD2 TYR 151 HD1 TYR 151 59.932 53.650 54.433 859 HE1 TYR 151 HE2 TYR 151 63.966 56.225 55.737 860 HE2 TYR 151 HE1 TYR 151 60.748 53.575 56.774 861 HH TYR 151 HH TYR 151 63.749 55.012 57.700 862 H PHE 152 H PHE 152 58.118 55.181 50.939 863 HA PHE 152 HA PHE 152 58.891 54.955 48.270 864 HB2 PHE 152 HB2 PHE 152 56.913 53.861 49.294 865 HB3 PHE 152 HB3 PHE 152 56.099 55.414 49.325 866 HD1 PHE 152 HD1 PHE 152 57.419 52.731 47.148 867 HD2 PHE 152 HD2 PHE 152 55.130 56.361 47.332 868 HE1 PHE 152 HE1 PHE 152 56.605 52.335 44.839 869 HE2 PHE 152 HE2 PHE 152 54.317 55.965 45.022 870 HZ PHE 152 HZ PHE 152 55.055 53.952 43.776 871 H GLN 153 H GLN 153 57.231 57.621 49.923 872 HA GLN 153 HA GLN 153 58.214 59.502 47.962 873 HB2 GLN 153 HB2 GLN 153 56.178 58.575 46.854 874 HB3 GLN 153 HB3 GLN 153 55.221 59.134 48.227 875 HG2 GLN 153 HG2 GLN 153 55.926 61.444 47.809 876 HG3 GLN 153 HG3 GLN 153 56.938 60.911 46.471 877 HE21 GLN 153 HE21 GLN 153 55.049 62.784 45.820 878 HE22 GLN 153 HE22 GLN 153 53.758 62.080 44.972 Start of MODEL 19 1 H1 MET 39 HT1 MET 39 11.054 10.414 10.001 2 H2 MET 39 HT2 MET 39 9.510 10.167 10.667 3 H3 MET 39 HT3 MET 39 10.538 8.844 10.386 4 HA MET 39 HA MET 39 10.652 10.878 12.503 5 HB2 MET 39 HB2 MET 39 11.050 7.876 12.374 6 HB3 MET 39 HB3 MET 39 11.171 8.840 13.847 7 HG2 MET 39 HG2 MET 39 8.823 9.645 13.430 8 HG3 MET 39 HG3 MET 39 8.721 8.495 12.097 9 HE1 MET 39 HE1 MET 39 9.150 6.056 12.267 10 HE2 MET 39 HE2 MET 39 9.140 5.069 13.726 11 HE3 MET 39 HE3 MET 39 10.550 6.056 13.347 12 H ASN 40 H ASN 40 12.647 10.971 13.765 13 HA ASN 40 HA ASN 40 14.907 11.565 12.241 14 HB2 ASN 40 HB2 ASN 40 14.707 10.816 15.165 15 HB3 ASN 40 HB3 ASN 40 16.132 11.524 14.409 16 HD21 ASN 40 HD21 ASN 40 14.607 12.812 16.533 17 HD22 ASN 40 HD22 ASN 40 13.947 14.234 15.884 18 H GLY 41 H GLY 41 13.986 8.548 13.847 19 HA2 GLY 41 HA2 GLY 41 14.782 6.402 13.595 20 HA3 GLY 41 HA3 GLY 41 15.574 6.951 12.121 21 H GLU 42 H GLU 42 17.686 6.559 12.168 22 HA GLU 42 HA GLU 42 19.183 5.909 14.442 23 HB2 GLU 42 HB2 GLU 42 20.126 7.023 11.789 24 HB3 GLU 42 HB3 GLU 42 21.164 6.267 12.997 25 HG2 GLU 42 HG2 GLU 42 19.793 4.197 12.839 26 HG3 GLU 42 HG3 GLU 42 18.839 4.951 11.568 27 H ASN 43 H ASN 43 20.531 7.059 15.782 28 HA ASN 43 HA ASN 43 20.246 10.002 15.682 29 HB2 ASN 43 HB2 ASN 43 20.582 9.992 18.080 30 HB3 ASN 43 HB3 ASN 43 19.278 8.886 17.662 31 HD21 ASN 43 HD21 ASN 43 20.710 8.613 20.118 32 HD22 ASN 43 HD22 ASN 43 21.612 7.176 20.058 33 H TYR 44 H TYR 44 22.335 8.339 14.270 34 HA TYR 44 HA TYR 44 24.806 8.661 15.614 35 HB2 TYR 44 HB2 TYR 44 25.844 8.113 13.547 36 HB3 TYR 44 HB3 TYR 44 24.404 7.131 13.705 37 HD1 TYR 44 HD2 TYR 44 22.403 7.611 12.301 38 HD2 TYR 44 HD1 TYR 44 26.106 9.728 11.796 39 HE1 TYR 44 HE2 TYR 44 21.654 8.388 10.069 40 HE2 TYR 44 HE1 TYR 44 25.358 10.503 9.562 41 HH TYR 44 HH TYR 44 23.772 10.180 7.963 42 H PHE 45 H PHE 45 22.881 10.894 13.724 43 HA PHE 45 HA PHE 45 24.783 12.761 12.937 44 HB2 PHE 45 HB2 PHE 45 21.962 13.184 13.919 45 HB3 PHE 45 HB3 PHE 45 22.935 14.435 13.172 46 HD1 PHE 45 HD2 PHE 45 23.573 14.255 10.771 47 HD2 PHE 45 HD1 PHE 45 20.911 11.450 12.641 48 HE1 PHE 45 HE2 PHE 45 22.807 13.495 8.538 49 HE2 PHE 45 HE1 PHE 45 20.144 10.691 10.407 50 HZ PHE 45 HZ PHE 45 21.092 11.714 8.357 51 H LYS 46 H LYS 46 23.291 12.289 16.109 52 HA LYS 46 HA LYS 46 24.063 14.673 17.342 53 HB2 LYS 46 HB2 LYS 46 23.786 11.900 18.521 54 HB3 LYS 46 HB3 LYS 46 23.920 13.383 19.467 55 HG2 LYS 46 HG2 LYS 46 21.897 14.266 18.305 56 HG3 LYS 46 HG3 LYS 46 21.733 12.716 17.477 57 HD2 LYS 46 HD2 LYS 46 21.606 11.587 19.702 58 HD3 LYS 46 HD3 LYS 46 21.631 13.174 20.471 59 HE2 LYS 46 HE2 LYS 46 19.548 13.796 19.480 60 HE3 LYS 46 HE3 LYS 46 19.580 12.417 18.381 61 HZ1 LYS 46 HZ1 LYS 46 18.166 12.322 20.534 62 HZ2 LYS 46 HZ2 LYS 46 19.647 11.956 21.283 63 HZ3 LYS 46 HZ3 LYS 46 19.047 10.956 20.047 64 H LEU 47 H LEU 47 25.880 11.673 16.847 65 HA LEU 47 HA LEU 47 28.094 12.255 18.473 66 HB2 LEU 47 HB2 LEU 47 28.047 10.719 15.864 67 HB3 LEU 47 HB3 LEU 47 29.309 10.635 17.091 68 HG LEU 47 HG LEU 47 26.401 9.913 17.562 69 HD11 LEU 47 HD11 LEU 47 27.316 7.577 17.688 70 HD12 LEU 47 HD12 LEU 47 28.855 8.196 17.091 71 HD13 LEU 47 HD13 LEU 47 27.416 8.284 16.075 72 HD21 LEU 47 HD21 LEU 47 27.483 8.832 19.627 73 HD22 LEU 47 HD22 LEU 47 27.379 10.593 19.631 74 HD23 LEU 47 HD23 LEU 47 28.908 9.801 19.253 75 H GLY 48 H GLY 48 27.375 13.159 15.125 76 HA2 GLY 48 HA2 GLY 48 29.849 14.258 14.414 77 HA3 GLY 48 HA3 GLY 48 28.297 14.754 13.748 78 H SER 49 H SER 49 27.170 15.647 16.255 79 HA SER 49 HA SER 49 27.909 18.339 16.210 80 HB2 SER 49 HB2 SER 49 25.769 17.448 17.125 81 HB3 SER 49 HB3 SER 49 26.654 16.847 18.522 82 HG SER 49 HG SER 49 27.072 18.913 19.067 83 H ASP 50 H ASP 50 29.165 15.685 18.163 84 HA ASP 50 HA ASP 50 30.432 17.105 20.193 85 HB2 ASP 50 HB2 ASP 50 31.288 14.557 18.810 86 HB3 ASP 50 HB3 ASP 50 31.988 15.158 20.310 87 H SER 51 H SER 51 31.506 16.477 16.883 88 HA SER 51 HA SER 51 33.880 18.186 17.382 89 HB2 SER 51 HB2 SER 51 33.548 15.968 15.348 90 HB3 SER 51 HB3 SER 51 34.982 16.968 15.563 91 HG SER 51 HG SER 51 35.362 15.301 16.845 92 H LYS 52 H LYS 52 34.373 19.777 15.898 93 HA LYS 52 HA LYS 52 32.497 20.182 13.654 94 HB2 LYS 52 HB2 LYS 52 31.792 21.589 15.576 95 HB3 LYS 52 HB3 LYS 52 33.386 22.343 15.578 96 HG2 LYS 52 HG2 LYS 52 33.041 23.213 13.339 97 HG3 LYS 52 HG3 LYS 52 31.521 22.332 13.188 98 HD2 LYS 52 HD2 LYS 52 30.966 24.607 13.736 99 HD3 LYS 52 HD3 LYS 52 30.660 23.632 15.167 100 HE2 LYS 52 HE2 LYS 52 31.936 25.103 16.299 101 HE3 LYS 52 HE3 LYS 52 33.334 24.433 15.468 102 HZ1 LYS 52 HZ1 LYS 52 31.803 26.353 13.938 103 HZ2 LYS 52 HZ2 LYS 52 33.484 26.198 14.124 104 HZ3 LYS 52 HZ3 LYS 52 32.565 26.988 15.314 105 H LEU 53 H LEU 53 33.557 20.428 11.815 106 HA LEU 53 HA LEU 53 36.368 20.365 11.661 107 HB2 LEU 53 HB2 LEU 53 34.382 21.192 9.530 108 HB3 LEU 53 HB3 LEU 53 36.053 20.700 9.254 109 HG LEU 53 HG LEU 53 33.936 18.950 10.539 110 HD11 LEU 53 HD11 LEU 53 34.976 19.186 7.718 111 HD12 LEU 53 HD12 LEU 53 33.303 19.113 8.270 112 HD13 LEU 53 HD13 LEU 53 34.311 17.667 8.317 113 HD21 LEU 53 HD21 LEU 53 35.714 17.183 9.969 114 HD22 LEU 53 HD22 LEU 53 36.084 18.261 11.314 115 HD23 LEU 53 HD23 LEU 53 36.823 18.535 9.736 116 H LEU 54 H LEU 54 34.081 23.053 11.490 117 HA LEU 54 HA LEU 54 36.244 24.921 10.852 118 HB2 LEU 54 HB2 LEU 54 33.283 25.434 11.226 119 HB3 LEU 54 HB3 LEU 54 34.469 26.583 10.608 120 HG LEU 54 HG LEU 54 33.802 23.923 9.311 121 HD11 LEU 54 HD11 LEU 54 32.890 25.559 7.517 122 HD12 LEU 54 HD12 LEU 54 32.874 26.750 8.818 123 HD13 LEU 54 HD13 LEU 54 31.905 25.283 8.954 124 HD21 LEU 54 HD21 LEU 54 35.698 26.178 8.683 125 HD22 LEU 54 HD22 LEU 54 35.027 25.201 7.378 126 HD23 LEU 54 HD23 LEU 54 35.994 24.440 8.641 127 H THR 55 H THR 55 37.080 26.384 12.248 128 HA THR 55 HA THR 55 36.695 26.025 15.055 129 HB THR 55 HB THR 55 38.245 27.908 15.294 130 HG1 THR 55 HG1 THR 55 38.879 28.949 13.413 131 HG21 THR 55 HG21 THR 55 38.990 25.559 14.574 132 HG22 THR 55 HG22 THR 55 40.130 26.873 14.285 133 HG23 THR 55 HG23 THR 55 39.167 26.236 12.954 134 H HIS 56 H HIS 56 35.476 28.346 12.689 135 HA HIS 56 HA HIS 56 33.880 29.633 14.830 136 HB2 HIS 56 HB2 HIS 56 34.822 30.732 12.180 137 HB3 HIS 56 HB3 HIS 56 33.737 31.566 13.276 138 HD1 HIS 56 HD1 HIS 56 37.320 30.626 12.783 139 HD2 HIS 56 HD2 HIS 56 35.006 32.627 15.614 140 HE1 HIS 56 HE1 HIS 56 38.942 31.802 14.329 141 H ASN 57 H ASN 57 31.712 29.611 14.665 142 HA ASN 57 HA ASN 57 30.534 28.300 12.292 143 HB2 ASN 57 HB2 ASN 57 30.223 27.280 14.600 144 HB3 ASN 57 HB3 ASN 57 29.234 28.687 14.989 145 HD21 ASN 57 HD21 ASN 57 27.332 27.234 15.177 146 HD22 ASN 57 HD22 ASN 57 26.569 26.649 13.778 147 H SER 58 H SER 58 29.669 29.669 10.883 148 HA SER 58 HA SER 58 28.915 32.352 11.600 149 HB2 SER 58 HB2 SER 58 28.459 32.658 9.272 150 HB3 SER 58 HB3 SER 58 29.913 31.675 9.400 151 HG SER 58 HG SER 58 28.589 29.894 9.031 152 H TYR 59 H TYR 59 27.230 29.433 11.899 153 HA TYR 59 HA TYR 59 24.614 30.741 11.460 154 HB2 TYR 59 HB2 TYR 59 25.296 27.807 11.675 155 HB3 TYR 59 HB3 TYR 59 23.699 28.469 11.379 156 HD1 TYR 59 HD2 TYR 59 23.269 29.729 9.228 157 HD2 TYR 59 HD1 TYR 59 26.865 27.487 9.926 158 HE1 TYR 59 HE2 TYR 59 23.729 29.707 6.790 159 HE2 TYR 59 HE1 TYR 59 27.326 27.465 7.490 160 HH TYR 59 HH TYR 59 25.729 29.414 5.320 161 H GLN 60 H GLN 60 23.128 30.855 13.079 162 HA GLN 60 HA GLN 60 24.057 30.084 15.780 163 HB2 GLN 60 HB2 GLN 60 22.091 32.212 14.899 164 HB3 GLN 60 HB3 GLN 60 22.465 31.819 16.578 165 HG2 GLN 60 HG2 GLN 60 24.811 32.404 16.228 166 HG3 GLN 60 HG3 GLN 60 24.503 32.714 14.522 167 HE21 GLN 60 HE21 GLN 60 25.556 34.743 16.251 168 HE22 GLN 60 HE22 GLN 60 24.385 35.962 16.413 169 H ASN 61 H ASN 61 22.617 29.091 17.209 170 HA ASN 61 HA ASN 61 20.297 27.774 15.920 171 HB2 ASN 61 HB2 ASN 61 22.060 26.838 18.195 172 HB3 ASN 61 HB3 ASN 61 20.625 25.992 17.619 173 HD21 ASN 61 HD21 ASN 61 23.329 24.890 17.532 174 HD22 ASN 61 HD22 ASN 61 23.722 24.665 15.896 175 H ARG 62 H ARG 62 18.592 27.110 17.541 176 HA ARG 62 HA ARG 62 18.305 28.977 19.777 177 HB2 ARG 62 HB2 ARG 62 16.097 29.710 19.042 178 HB3 ARG 62 HB3 ARG 62 17.306 30.107 17.824 179 HG2 ARG 62 HG2 ARG 62 16.682 27.953 16.643 180 HG3 ARG 62 HG3 ARG 62 15.329 27.813 17.767 181 HD2 ARG 62 HD2 ARG 62 14.559 30.081 17.045 182 HD3 ARG 62 HD3 ARG 62 15.845 30.096 15.844 183 HE ARG 62 HE ARG 62 14.199 27.755 15.636 184 HH11 ARG 62 HH11 ARG 62 14.348 31.149 14.745 185 HH12 ARG 62 HH12 ARG 62 13.296 30.939 13.385 186 HH21 ARG 62 HH21 ARG 62 12.849 27.549 13.872 187 HH22 ARG 62 HH22 ARG 62 12.458 28.927 12.899 188 H LEU 63 H LEU 63 16.410 28.408 21.168 189 HA LEU 63 HA LEU 63 16.207 25.454 21.274 190 HB2 LEU 63 HB2 LEU 63 17.421 26.576 23.144 191 HB3 LEU 63 HB3 LEU 63 15.935 27.438 23.542 192 HG LEU 63 HG LEU 63 14.798 25.177 23.729 193 HD11 LEU 63 HD11 LEU 63 16.542 23.324 24.251 194 HD12 LEU 63 HD12 LEU 63 17.666 24.334 23.342 195 HD13 LEU 63 HD13 LEU 63 16.217 23.703 22.559 196 HD21 LEU 63 HD21 LEU 63 15.820 24.695 25.965 197 HD22 LEU 63 HD22 LEU 63 15.462 26.406 25.729 198 HD23 LEU 63 HD23 LEU 63 17.119 25.822 25.573 199 H PHE 64 H PHE 64 14.270 24.539 21.085 200 HA PHE 64 HA PHE 64 11.870 26.228 21.150 201 HB2 PHE 64 HB2 PHE 64 12.283 23.364 20.288 202 HB3 PHE 64 HB3 PHE 64 10.748 24.208 20.241 203 HD1 PHE 64 HD1 PHE 64 10.392 26.072 18.640 204 HD2 PHE 64 HD2 PHE 64 14.003 23.746 18.652 205 HE1 PHE 64 HE1 PHE 64 10.950 26.928 16.380 206 HE2 PHE 64 HE2 PHE 64 14.562 24.602 16.393 207 HZ PHE 64 HZ PHE 64 13.036 26.192 15.257 208 H TYR 65 H TYR 65 10.474 26.201 22.828 209 HA TYR 65 HA TYR 65 10.619 23.931 24.736 210 HB2 TYR 65 HB2 TYR 65 11.405 26.168 25.614 211 HB3 TYR 65 HB3 TYR 65 9.769 26.755 25.377 212 HD1 TYR 65 HD2 TYR 65 11.915 24.451 27.300 213 HD2 TYR 65 HD1 TYR 65 7.971 26.095 26.869 214 HE1 TYR 65 HE2 TYR 65 11.295 23.543 29.522 215 HE2 TYR 65 HE1 TYR 65 7.349 25.186 29.091 216 HH TYR 65 HH TYR 65 8.240 24.263 31.002 217 H THR 66 H THR 66 8.681 23.021 25.385 218 HA THR 66 HA THR 66 6.349 23.796 23.745 219 HB THR 66 HB THR 66 6.843 21.202 25.222 220 HG1 THR 66 HG1 THR 66 8.227 21.128 23.622 221 HG21 THR 66 HG21 THR 66 5.056 20.405 23.649 222 HG22 THR 66 HG22 THR 66 4.824 22.078 23.139 223 HG23 THR 66 HG23 THR 66 4.489 21.610 24.805 224 H LEU 67 H LEU 67 4.396 24.242 24.639 225 HA LEU 67 HA LEU 67 4.335 24.915 27.459 226 HB2 LEU 67 HB2 LEU 67 2.326 25.206 25.216 227 HB3 LEU 67 HB3 LEU 67 2.026 25.745 26.864 228 HG LEU 67 HG LEU 67 4.393 26.656 25.204 229 HD11 LEU 67 HD11 LEU 67 2.946 28.850 25.268 230 HD12 LEU 67 HD12 LEU 67 1.603 27.734 25.509 231 HD13 LEU 67 HD13 LEU 67 2.596 27.618 24.056 232 HD21 LEU 67 HD21 LEU 67 4.139 28.555 27.016 233 HD22 LEU 67 HD22 LEU 67 4.945 27.047 27.445 234 HD23 LEU 67 HD23 LEU 67 3.266 27.314 27.915 235 H LYS 68 H LYS 68 3.459 23.739 29.032 236 HA LYS 68 HA LYS 68 1.683 21.479 28.320 237 HB2 LYS 68 HB2 LYS 68 3.999 20.730 28.900 238 HB3 LYS 68 HB3 LYS 68 3.802 21.477 30.484 239 HG2 LYS 68 HG2 LYS 68 3.253 19.187 30.802 240 HG3 LYS 68 HG3 LYS 68 1.704 20.022 30.739 241 HD2 LYS 68 HD2 LYS 68 1.428 19.402 28.388 242 HD3 LYS 68 HD3 LYS 68 3.019 18.639 28.383 243 HE2 LYS 68 HE2 LYS 68 2.297 16.978 29.988 244 HE3 LYS 68 HE3 LYS 68 0.755 17.804 30.215 245 HZ1 LYS 68 HZ1 LYS 68 0.874 15.804 28.626 246 HZ2 LYS 68 HZ2 LYS 68 1.580 16.899 27.535 247 HZ3 LYS 68 HZ3 LYS 68 0.016 17.183 28.135 248 H THR 69 H THR 69 -0.026 21.097 29.718 249 HA THR 69 HA THR 69 -1.204 23.257 30.993 250 HB THR 69 HB THR 69 -2.464 21.272 30.340 251 HG1 THR 69 HG1 THR 69 -3.545 21.049 32.371 252 HG21 THR 69 HG21 THR 69 -1.138 19.873 32.675 253 HG22 THR 69 HG22 THR 69 -0.634 19.657 31.000 254 HG23 THR 69 HG23 THR 69 -2.253 19.173 31.501 255 H GLY 70 H GLY 70 -1.133 24.152 32.965 256 HA2 GLY 70 HA2 GLY 70 -0.842 23.968 35.370 257 HA3 GLY 70 HA3 GLY 70 0.456 22.820 35.076 258 H GLU 71 H GLU 71 1.556 24.525 32.851 259 HA GLU 71 HA GLU 71 2.835 26.582 34.559 260 HB2 GLU 71 HB2 GLU 71 4.290 24.721 33.672 261 HB3 GLU 71 HB3 GLU 71 3.962 25.327 32.048 262 HG2 GLU 71 HG2 GLU 71 4.828 27.556 32.739 263 HG3 GLU 71 HG3 GLU 71 5.232 26.888 34.314 264 H THR 72 H THR 72 3.120 28.658 33.740 265 HA THR 72 HA THR 72 1.485 29.296 31.350 266 HB THR 72 HB THR 72 1.061 31.469 32.372 267 HG1 THR 72 HG1 THR 72 2.025 32.003 34.191 268 HG21 THR 72 HG21 THR 72 0.560 29.197 34.316 269 HG22 THR 72 HG22 THR 72 -0.446 29.584 32.920 270 HG23 THR 72 HG23 THR 72 -0.320 30.724 34.261 271 H VAL 73 H VAL 73 2.163 31.168 30.105 272 HA VAL 73 HA VAL 73 4.848 31.058 29.308 273 HB VAL 73 HB VAL 73 2.878 33.330 28.933 274 HG11 VAL 73 HG11 VAL 73 5.324 32.552 27.315 275 HG12 VAL 73 HG12 VAL 73 5.249 33.914 28.432 276 HG13 VAL 73 HG13 VAL 73 4.241 33.903 26.983 277 HG21 VAL 73 HG21 VAL 73 2.490 32.197 26.722 278 HG22 VAL 73 HG22 VAL 73 1.939 31.251 28.105 279 HG23 VAL 73 HG23 VAL 73 3.454 30.840 27.302 280 H ALA 74 H ALA 74 3.175 33.294 31.505 281 HA ALA 74 HA ALA 74 5.301 35.072 31.946 282 HB1 ALA 74 HB1 ALA 74 4.080 35.243 34.296 283 HB2 ALA 74 HB2 ALA 74 2.846 34.301 33.461 284 HB3 ALA 74 HB3 ALA 74 3.333 35.875 32.830 285 H ASP 75 H ASP 75 4.530 31.957 33.461 286 HA ASP 75 HA ASP 75 6.386 32.084 35.577 287 HB2 ASP 75 HB2 ASP 75 5.351 29.693 34.034 288 HB3 ASP 75 HB3 ASP 75 6.253 29.596 35.544 289 H LEU 76 H LEU 76 6.697 30.827 32.266 290 HA LEU 76 HA LEU 76 9.344 29.911 32.445 291 HB2 LEU 76 HB2 LEU 76 7.785 31.026 30.108 292 HB3 LEU 76 HB3 LEU 76 9.392 30.316 29.948 293 HG LEU 76 HG LEU 76 7.129 28.830 31.287 294 HD11 LEU 76 HD11 LEU 76 6.933 27.638 29.050 295 HD12 LEU 76 HD12 LEU 76 7.885 28.950 28.355 296 HD13 LEU 76 HD13 LEU 76 6.309 29.288 29.070 297 HD21 LEU 76 HD21 LEU 76 9.335 27.938 31.723 298 HD22 LEU 76 HD22 LEU 76 9.777 28.066 30.020 299 HD23 LEU 76 HD23 LEU 76 8.568 26.888 30.532 300 H SER 77 H SER 77 8.063 33.102 31.611 301 HA SER 77 HA SER 77 10.481 34.312 30.850 302 HB2 SER 77 HB2 SER 77 8.138 35.225 30.534 303 HB3 SER 77 HB3 SER 77 8.181 35.702 32.228 304 HG SER 77 HG SER 77 9.791 37.073 31.740 305 H LYS 78 H LYS 78 8.921 34.072 34.026 306 HA LYS 78 HA LYS 78 10.715 35.746 35.416 307 HB2 LYS 78 HB2 LYS 78 8.499 35.002 36.275 308 HB3 LYS 78 HB3 LYS 78 9.171 33.391 36.521 309 HG2 LYS 78 HG2 LYS 78 10.904 34.372 38.016 310 HG3 LYS 78 HG3 LYS 78 10.142 35.952 37.823 311 HD2 LYS 78 HD2 LYS 78 8.011 34.971 38.707 312 HD3 LYS 78 HD3 LYS 78 8.885 33.475 39.035 313 HE2 LYS 78 HE2 LYS 78 9.030 34.580 41.092 314 HE3 LYS 78 HE3 LYS 78 10.549 35.036 40.322 315 HZ1 LYS 78 HZ1 LYS 78 8.952 36.946 39.409 316 HZ2 LYS 78 HZ2 LYS 78 9.842 37.091 40.848 317 HZ3 LYS 78 HZ3 LYS 78 8.202 36.649 40.901 318 H SER 79 H SER 79 10.709 32.224 34.932 319 HA SER 79 HA SER 79 12.885 31.641 36.617 320 HB2 SER 79 HB2 SER 79 11.282 29.962 35.690 321 HB3 SER 79 HB3 SER 79 12.063 30.142 34.122 322 HG SER 79 HG SER 79 12.818 28.481 35.727 323 H GLN 80 H GLN 80 12.767 32.378 33.148 324 HA GLN 80 HA GLN 80 15.621 32.039 32.845 325 HB2 GLN 80 HB2 GLN 80 13.505 33.065 30.952 326 HB3 GLN 80 HB3 GLN 80 15.194 32.800 30.515 327 HG2 GLN 80 HG2 GLN 80 15.009 30.434 31.102 328 HG3 GLN 80 HG3 GLN 80 13.347 30.673 31.635 329 HE21 GLN 80 HE21 GLN 80 13.996 28.814 29.561 330 HE22 GLN 80 HE22 GLN 80 13.338 29.388 28.105 331 H ASP 81 H ASP 81 13.944 34.546 34.230 332 HA ASP 81 HA ASP 81 14.453 36.740 34.673 333 HB2 ASP 81 HB2 ASP 81 16.635 35.653 35.282 334 HB3 ASP 81 HB3 ASP 81 17.210 36.016 33.657 335 H ILE 82 H ILE 82 13.244 36.219 32.217 336 HA ILE 82 HA ILE 82 14.484 38.236 30.435 337 HB ILE 82 HB ILE 82 12.583 35.991 29.695 338 HG12 ILE 82 HG12 ILE 82 15.540 36.293 29.089 339 HG13 ILE 82 HG13 ILE 82 14.896 35.252 30.357 340 HG21 ILE 82 HG21 ILE 82 13.137 36.651 27.382 341 HG22 ILE 82 HG22 ILE 82 14.146 37.961 27.995 342 HG23 ILE 82 HG23 ILE 82 12.402 37.994 28.257 343 HD11 ILE 82 HD11 ILE 82 13.469 34.154 28.548 344 HD12 ILE 82 HD12 ILE 82 15.202 33.841 28.453 345 HD13 ILE 82 HD13 ILE 82 14.458 35.021 27.374 346 H ASN 83 H ASN 83 13.127 39.820 29.537 347 HA ASN 83 HA ASN 83 10.811 40.457 31.174 348 HB2 ASN 83 HB2 ASN 83 12.141 41.939 28.895 349 HB3 ASN 83 HB3 ASN 83 10.787 42.559 29.838 350 HD21 ASN 83 HD21 ASN 83 13.419 43.812 29.749 351 HD22 ASN 83 HD22 ASN 83 14.062 43.735 31.319 352 H LEU 84 H LEU 84 8.701 40.463 30.519 353 HA LEU 84 HA LEU 84 7.866 38.676 28.538 354 HB2 LEU 84 HB2 LEU 84 6.331 41.021 29.688 355 HB3 LEU 84 HB3 LEU 84 5.628 39.645 28.839 356 HG LEU 84 HG LEU 84 7.245 39.448 31.398 357 HD11 LEU 84 HD11 LEU 84 4.299 39.627 30.825 358 HD12 LEU 84 HD12 LEU 84 5.231 40.414 32.097 359 HD13 LEU 84 HD13 LEU 84 4.862 38.693 32.211 360 HD21 LEU 84 HD21 LEU 84 5.717 37.441 29.719 361 HD22 LEU 84 HD22 LEU 84 6.201 37.123 31.385 362 HD23 LEU 84 HD23 LEU 84 7.427 37.402 30.149 363 H SER 85 H SER 85 8.410 42.171 28.365 364 HA SER 85 HA SER 85 7.235 42.647 25.857 365 HB2 SER 85 HB2 SER 85 8.050 44.410 27.444 366 HB3 SER 85 HB3 SER 85 9.697 43.995 26.985 367 HG SER 85 HG SER 85 8.999 45.608 25.660 368 H THR 86 H THR 86 10.515 41.611 26.738 369 HA THR 86 HA THR 86 11.623 41.676 24.145 370 HB THR 86 HB THR 86 12.350 39.794 26.402 371 HG1 THR 86 HG1 THR 86 12.938 42.447 25.896 372 HG21 THR 86 HG21 THR 86 13.989 40.920 24.113 373 HG22 THR 86 HG22 THR 86 13.330 39.285 24.169 374 HG23 THR 86 HG23 THR 86 14.549 39.785 25.341 375 H ILE 87 H ILE 87 9.965 39.091 25.924 376 HA ILE 87 HA ILE 87 10.367 37.016 24.081 377 HB ILE 87 HB ILE 87 7.959 37.459 25.871 378 HG12 ILE 87 HG12 ILE 87 10.504 35.894 26.398 379 HG13 ILE 87 HG13 ILE 87 10.195 37.510 27.032 380 HG21 ILE 87 HG21 ILE 87 7.646 35.061 25.711 381 HG22 ILE 87 HG22 ILE 87 9.124 34.886 24.766 382 HG23 ILE 87 HG23 ILE 87 7.727 35.709 24.072 383 HD11 ILE 87 HD11 ILE 87 9.528 36.042 28.775 384 HD12 ILE 87 HD12 ILE 87 8.717 34.951 27.653 385 HD13 ILE 87 HD13 ILE 87 8.022 36.534 28.000 386 H TRP 88 H TRP 88 7.760 39.412 24.318 387 HA TRP 88 HA TRP 88 6.191 38.494 22.185 388 HB2 TRP 88 HB2 TRP 88 5.461 40.200 23.805 389 HB3 TRP 88 HB3 TRP 88 6.599 41.340 23.110 390 HD1 TRP 88 HD1 TRP 88 3.303 39.559 22.399 391 HE1 TRP 88 HE1 TRP 88 2.100 40.778 20.473 392 HE3 TRP 88 HE3 TRP 88 6.958 42.844 21.017 393 HZ2 TRP 88 HZ2 TRP 88 2.620 42.872 18.590 394 HZ3 TRP 88 HZ3 TRP 88 6.580 44.436 19.159 395 HH2 TRP 88 HH2 TRP 88 4.420 44.457 17.944 396 H SER 89 H SER 89 8.839 40.890 22.181 397 HA SER 89 HA SER 89 8.614 41.736 19.550 398 HB2 SER 89 HB2 SER 89 10.899 42.489 19.729 399 HB3 SER 89 HB3 SER 89 10.115 42.722 21.287 400 HG SER 89 HG SER 89 11.331 41.176 22.067 401 H LEU 90 H LEU 90 10.363 38.918 20.824 402 HA LEU 90 HA LEU 90 11.455 38.145 18.303 403 HB2 LEU 90 HB2 LEU 90 10.969 36.511 20.804 404 HB3 LEU 90 HB3 LEU 90 11.974 36.020 19.441 405 HG LEU 90 HG LEU 90 12.436 38.543 21.055 406 HD11 LEU 90 HD11 LEU 90 14.175 36.091 21.169 407 HD12 LEU 90 HD12 LEU 90 12.742 36.194 22.192 408 HD13 LEU 90 HD13 LEU 90 14.020 37.399 22.341 409 HD21 LEU 90 HD21 LEU 90 13.385 38.753 18.865 410 HD22 LEU 90 HD22 LEU 90 13.963 37.086 18.884 411 HD23 LEU 90 HD23 LEU 90 14.719 38.292 19.925 412 H ASN 91 H ASN 91 8.664 36.920 20.172 413 HA ASN 91 HA ASN 91 8.050 35.032 18.053 414 HB2 ASN 91 HB2 ASN 91 6.785 35.533 20.744 415 HB3 ASN 91 HB3 ASN 91 6.265 34.276 19.622 416 HD21 ASN 91 HD21 ASN 91 9.360 35.445 21.099 417 HD22 ASN 91 HD22 ASN 91 9.988 33.884 21.331 418 H LYS 92 H LYS 92 7.341 38.224 18.222 419 HA LYS 92 HA LYS 92 4.652 38.546 17.845 420 HB2 LYS 92 HB2 LYS 92 5.175 40.455 16.400 421 HB3 LYS 92 HB3 LYS 92 6.237 40.406 17.804 422 HG2 LYS 92 HG2 LYS 92 8.036 39.451 16.485 423 HG3 LYS 92 HG3 LYS 92 6.976 39.281 15.087 424 HD2 LYS 92 HD2 LYS 92 8.215 41.256 14.660 425 HD3 LYS 92 HD3 LYS 92 6.650 41.826 15.231 426 HE2 LYS 92 HE2 LYS 92 7.850 41.721 17.597 427 HE3 LYS 92 HE3 LYS 92 9.304 41.876 16.611 428 HZ1 LYS 92 HZ1 LYS 92 8.490 44.038 17.246 429 HZ2 LYS 92 HZ2 LYS 92 6.963 43.702 16.580 430 HZ3 LYS 92 HZ3 LYS 92 8.322 43.838 15.570 431 H HIS 93 H HIS 93 6.880 36.977 15.630 432 HA HIS 93 HA HIS 93 5.083 37.061 13.390 433 HB2 HIS 93 HB2 HIS 93 6.668 35.716 12.251 434 HB3 HIS 93 HB3 HIS 93 7.560 36.884 13.199 435 HD1 HIS 93 HD1 HIS 93 8.845 35.925 15.340 436 HD2 HIS 93 HD2 HIS 93 7.174 33.040 12.832 437 HE1 HIS 93 HE1 HIS 93 9.941 33.732 15.944 438 H LEU 94 H LEU 94 5.770 34.743 15.967 439 HA LEU 94 HA LEU 94 4.315 32.576 14.833 440 HB2 LEU 94 HB2 LEU 94 4.947 33.146 17.737 441 HB3 LEU 94 HB3 LEU 94 4.422 31.597 17.079 442 HG LEU 94 HG LEU 94 6.943 33.057 16.243 443 HD11 LEU 94 HD11 LEU 94 6.733 32.020 18.643 444 HD12 LEU 94 HD12 LEU 94 8.161 31.661 17.673 445 HD13 LEU 94 HD13 LEU 94 6.856 30.481 17.792 446 HD21 LEU 94 HD21 LEU 94 5.760 30.350 15.570 447 HD22 LEU 94 HD22 LEU 94 7.449 30.759 15.264 448 HD23 LEU 94 HD23 LEU 94 6.164 31.653 14.453 449 H TYR 95 H TYR 95 3.434 35.167 17.083 450 HA TYR 95 HA TYR 95 0.622 34.234 16.983 451 HB2 TYR 95 HB2 TYR 95 2.003 35.939 19.056 452 HB3 TYR 95 HB3 TYR 95 0.323 35.442 19.093 453 HD1 TYR 95 HD2 TYR 95 -0.240 32.998 19.344 454 HD2 TYR 95 HD1 TYR 95 3.753 34.513 19.810 455 HE1 TYR 95 HE2 TYR 95 0.412 30.916 20.524 456 HE2 TYR 95 HE1 TYR 95 4.405 32.432 20.989 457 HH TYR 95 HH TYR 95 3.479 29.989 21.033 458 H SER 96 H SER 96 -1.033 35.740 16.693 459 HA SER 96 HA SER 96 -0.336 37.862 14.874 460 HB2 SER 96 HB2 SER 96 -3.035 37.117 16.020 461 HB3 SER 96 HB3 SER 96 -2.739 38.158 14.631 462 HG SER 96 HG SER 96 -2.433 35.432 14.887 463 H SER 97 H SER 97 -1.514 37.650 18.205 464 HA SER 97 HA SER 97 -0.910 40.485 18.578 465 HB2 SER 97 HB2 SER 97 -3.096 41.056 19.412 466 HB3 SER 97 HB3 SER 97 -3.292 40.352 17.810 467 HG SER 97 HG SER 97 -4.595 39.550 19.683 468 H GLU 98 H GLU 98 -1.327 41.121 20.914 469 HA GLU 98 HA GLU 98 0.160 39.389 22.598 470 HB2 GLU 98 HB2 GLU 98 -1.494 41.837 23.236 471 HB3 GLU 98 HB3 GLU 98 -0.468 41.007 24.404 472 HG2 GLU 98 HG2 GLU 98 0.904 42.737 23.580 473 HG3 GLU 98 HG3 GLU 98 1.426 41.314 22.688 474 H SER 99 H SER 99 -3.304 39.947 22.198 475 HA SER 99 HA SER 99 -4.236 38.810 24.573 476 HB2 SER 99 HB2 SER 99 -5.631 40.035 22.891 477 HB3 SER 99 HB3 SER 99 -5.557 38.610 21.860 478 HG SER 99 HG SER 99 -6.677 37.528 23.387 479 H GLU 100 H GLU 100 -3.408 37.268 21.484 480 HA GLU 100 HA GLU 100 -4.315 34.683 22.132 481 HB2 GLU 100 HB2 GLU 100 -2.131 35.585 20.247 482 HB3 GLU 100 HB3 GLU 100 -2.760 33.937 20.323 483 HG2 GLU 100 HG2 GLU 100 -5.042 34.814 19.873 484 HG3 GLU 100 HG3 GLU 100 -4.371 36.432 19.720 485 H MET 101 H MET 101 -1.237 36.304 22.785 486 HA MET 101 HA MET 101 0.159 34.004 23.689 487 HB2 MET 101 HB2 MET 101 0.526 36.930 24.371 488 HB3 MET 101 HB3 MET 101 1.661 35.650 24.803 489 HG2 MET 101 HG2 MET 101 1.826 35.066 22.362 490 HG3 MET 101 HG3 MET 101 0.852 36.494 22.009 491 HE1 MET 101 HE1 MET 101 3.751 35.824 24.695 492 HE2 MET 101 HE2 MET 101 5.111 36.259 23.663 493 HE3 MET 101 HE3 MET 101 4.036 34.947 23.186 494 H MET 102 H MET 102 -1.688 36.503 25.431 495 HA MET 102 HA MET 102 -1.195 35.564 28.029 496 HB2 MET 102 HB2 MET 102 -3.565 37.068 26.909 497 HB3 MET 102 HB3 MET 102 -3.281 36.808 28.630 498 HG2 MET 102 HG2 MET 102 -1.062 37.920 28.399 499 HG3 MET 102 HG3 MET 102 -1.436 38.257 26.709 500 HE1 MET 102 HE1 MET 102 -0.992 40.669 26.992 501 HE2 MET 102 HE2 MET 102 -0.640 40.565 28.716 502 HE3 MET 102 HE3 MET 102 -1.779 41.775 28.126 503 H LYS 103 H LYS 103 -3.646 34.629 25.672 504 HA LYS 103 HA LYS 103 -4.948 32.847 27.585 505 HB2 LYS 103 HB2 LYS 103 -5.555 33.494 24.696 506 HB3 LYS 103 HB3 LYS 103 -6.523 32.424 25.712 507 HG2 LYS 103 HG2 LYS 103 -6.835 34.299 27.328 508 HG3 LYS 103 HG3 LYS 103 -5.966 35.361 26.218 509 HD2 LYS 103 HD2 LYS 103 -7.655 34.828 24.456 510 HD3 LYS 103 HD3 LYS 103 -8.557 33.894 25.649 511 HE2 LYS 103 HE2 LYS 103 -9.030 35.819 26.959 512 HE3 LYS 103 HE3 LYS 103 -7.816 36.784 26.119 513 HZ1 LYS 103 HZ1 LYS 103 -10.506 36.026 25.269 514 HZ2 LYS 103 HZ2 LYS 103 -9.309 36.138 24.068 515 HZ3 LYS 103 HZ3 LYS 103 -9.668 37.483 25.041 516 H ALA 104 H ALA 104 -2.136 32.380 26.205 517 HA ALA 104 HA ALA 104 -2.251 30.237 24.460 518 HB1 ALA 104 HB1 ALA 104 0.012 29.762 25.087 519 HB2 ALA 104 HB2 ALA 104 -0.197 30.541 26.656 520 HB3 ALA 104 HB3 ALA 104 -0.197 31.511 25.182 521 H ALA 105 H ALA 105 -2.329 28.043 24.644 522 HA ALA 105 HA ALA 105 -2.949 26.901 27.300 523 HB1 ALA 105 HB1 ALA 105 -4.290 25.812 24.863 524 HB2 ALA 105 HB2 ALA 105 -4.918 27.301 25.571 525 HB3 ALA 105 HB3 ALA 105 -4.841 25.827 26.538 526 HA PRO 106 HA PRO 106 -0.131 23.620 26.525 527 HB2 PRO 106 HB2 PRO 106 -2.278 21.556 26.474 528 HB3 PRO 106 HB3 PRO 106 -0.829 21.657 27.492 529 HG2 PRO 106 HG2 PRO 106 -3.243 22.183 28.465 530 HG3 PRO 106 HG3 PRO 106 -1.811 23.087 28.990 531 HD2 PRO 106 HD2 PRO 106 -4.002 23.947 27.146 532 HD3 PRO 106 HD3 PRO 106 -3.064 24.906 28.313 533 H GLY 107 H GLY 107 0.819 22.526 24.825 534 HA2 GLY 107 HA2 GLY 107 0.727 21.195 22.833 535 HA3 GLY 107 HA3 GLY 107 -0.831 21.913 22.461 536 H GLN 108 H GLN 108 0.553 24.632 23.264 537 HA GLN 108 HA GLN 108 1.373 25.196 20.522 538 HB2 GLN 108 HB2 GLN 108 0.921 26.999 22.905 539 HB3 GLN 108 HB3 GLN 108 1.426 27.569 21.312 540 HG2 GLN 108 HG2 GLN 108 -0.592 26.521 20.318 541 HG3 GLN 108 HG3 GLN 108 -1.110 26.028 21.928 542 HE21 GLN 108 HE21 GLN 108 -0.890 28.744 19.717 543 HE22 GLN 108 HE22 GLN 108 -1.678 29.863 20.721 544 H GLN 109 H GLN 109 3.335 26.395 20.052 545 HA GLN 109 HA GLN 109 5.554 25.534 21.817 546 HB2 GLN 109 HB2 GLN 109 5.492 26.004 18.829 547 HB3 GLN 109 HB3 GLN 109 6.940 25.609 19.756 548 HG2 GLN 109 HG2 GLN 109 5.943 23.496 20.473 549 HG3 GLN 109 HG3 GLN 109 4.444 23.894 19.640 550 HE21 GLN 109 HE21 GLN 109 5.935 21.530 19.001 551 HE22 GLN 109 HE22 GLN 109 6.546 21.699 17.427 552 H ILE 110 H ILE 110 7.193 26.926 22.294 553 HA ILE 110 HA ILE 110 6.960 29.726 21.372 554 HB ILE 110 HB ILE 110 7.818 28.728 24.105 555 HG12 ILE 110 HG12 ILE 110 5.412 30.388 23.300 556 HG13 ILE 110 HG13 ILE 110 5.354 28.648 23.585 557 HG21 ILE 110 HG21 ILE 110 7.594 31.532 22.964 558 HG22 ILE 110 HG22 ILE 110 9.076 30.717 23.467 559 HG23 ILE 110 HG23 ILE 110 7.864 31.161 24.669 560 HD11 ILE 110 HD11 ILE 110 6.072 28.949 25.889 561 HD12 ILE 110 HD12 ILE 110 4.681 29.991 25.586 562 HD13 ILE 110 HD13 ILE 110 6.303 30.679 25.629 563 H ILE 111 H ILE 111 8.838 30.649 20.626 564 HA ILE 111 HA ILE 111 11.229 28.900 20.586 565 HB ILE 111 HB ILE 111 10.565 31.213 18.747 566 HG12 ILE 111 HG12 ILE 111 10.444 28.230 18.201 567 HG13 ILE 111 HG13 ILE 111 9.026 29.229 18.522 568 HG21 ILE 111 HG21 ILE 111 12.423 30.287 17.405 569 HG22 ILE 111 HG22 ILE 111 12.692 29.049 18.632 570 HG23 ILE 111 HG23 ILE 111 12.978 30.745 19.016 571 HD11 ILE 111 HD11 ILE 111 9.223 29.097 16.138 572 HD12 ILE 111 HD12 ILE 111 10.950 29.450 16.197 573 HD13 ILE 111 HD13 ILE 111 9.780 30.708 16.592 574 H LEU 112 H LEU 112 13.027 29.529 21.564 575 HA LEU 112 HA LEU 112 13.277 32.341 22.462 576 HB2 LEU 112 HB2 LEU 112 14.092 29.774 23.829 577 HB3 LEU 112 HB3 LEU 112 14.658 31.366 24.338 578 HG LEU 112 HG LEU 112 11.719 30.754 24.014 579 HD11 LEU 112 HD11 LEU 112 13.523 30.328 26.405 580 HD12 LEU 112 HD12 LEU 112 12.437 29.163 25.648 581 HD13 LEU 112 HD13 LEU 112 11.776 30.522 26.557 582 HD21 LEU 112 HD21 LEU 112 11.652 32.646 25.739 583 HD22 LEU 112 HD22 LEU 112 12.178 33.098 24.117 584 HD23 LEU 112 HD23 LEU 112 13.367 32.879 25.402 585 HA PRO 113 HA PRO 113 17.006 31.490 19.889 586 HB2 PRO 113 HB2 PRO 113 17.312 33.992 18.867 587 HB3 PRO 113 HB3 PRO 113 16.206 32.798 18.158 588 HG2 PRO 113 HG2 PRO 113 15.612 35.120 19.911 589 HG3 PRO 113 HG3 PRO 113 14.695 34.473 18.539 590 HD2 PRO 113 HD2 PRO 113 14.046 33.996 21.176 591 HD3 PRO 113 HD3 PRO 113 13.592 32.930 19.830 592 H LEU 114 H LEU 114 18.560 31.265 21.445 593 HA LEU 114 HA LEU 114 19.247 33.571 23.129 594 HB2 LEU 114 HB2 LEU 114 18.837 31.349 24.189 595 HB3 LEU 114 HB3 LEU 114 20.229 30.714 23.310 596 HG LEU 114 HG LEU 114 21.605 32.568 24.368 597 HD11 LEU 114 HD11 LEU 114 20.056 34.160 25.114 598 HD12 LEU 114 HD12 LEU 114 20.473 33.318 26.607 599 HD13 LEU 114 HD13 LEU 114 18.969 32.935 25.771 600 HD21 LEU 114 HD21 LEU 114 21.902 30.399 25.279 601 HD22 LEU 114 HD22 LEU 114 20.283 30.383 25.980 602 HD23 LEU 114 HD23 LEU 114 21.536 31.409 26.679 603 H LYS 115 H LYS 115 21.027 34.741 22.805 604 HA LYS 115 HA LYS 115 23.095 33.699 20.951 605 HB2 LYS 115 HB2 LYS 115 22.190 36.548 21.428 606 HB3 LYS 115 HB3 LYS 115 23.553 36.081 20.411 607 HG2 LYS 115 HG2 LYS 115 22.005 34.688 19.038 608 HG3 LYS 115 HG3 LYS 115 20.656 35.283 20.006 609 HD2 LYS 115 HD2 LYS 115 21.277 37.616 19.360 610 HD3 LYS 115 HD3 LYS 115 22.521 36.955 18.298 611 HE2 LYS 115 HE2 LYS 115 20.961 36.024 16.829 612 HE3 LYS 115 HE3 LYS 115 19.687 35.989 18.047 613 HZ1 LYS 115 HZ1 LYS 115 19.204 37.744 16.550 614 HZ2 LYS 115 HZ2 LYS 115 20.781 38.366 16.653 615 HZ3 LYS 115 HZ3 LYS 115 19.739 38.463 17.991 616 H LYS 116 H LYS 116 25.150 33.644 21.650 617 HA LYS 116 HA LYS 116 25.708 34.665 24.362 618 HB2 LYS 116 HB2 LYS 116 27.150 32.607 22.671 619 HB3 LYS 116 HB3 LYS 116 27.664 33.130 24.275 620 HG2 LYS 116 HG2 LYS 116 25.456 32.408 25.181 621 HG3 LYS 116 HG3 LYS 116 25.035 31.787 23.584 622 HD2 LYS 116 HD2 LYS 116 27.055 30.318 23.671 623 HD3 LYS 116 HD3 LYS 116 27.344 30.869 25.321 624 HE2 LYS 116 HE2 LYS 116 24.766 29.564 24.414 625 HE3 LYS 116 HE3 LYS 116 26.091 28.691 25.184 626 HZ1 LYS 116 HZ1 LYS 116 25.841 30.600 26.933 627 HZ2 LYS 116 HZ2 LYS 116 24.841 29.229 26.991 628 HZ3 LYS 116 HZ3 LYS 116 24.261 30.677 26.319 629 H LEU 117 H LEU 117 27.395 36.063 24.745 630 HA LEU 117 HA LEU 117 28.879 37.068 22.389 631 HB2 LEU 117 HB2 LEU 117 26.956 38.562 23.156 632 HB3 LEU 117 HB3 LEU 117 27.894 38.840 24.623 633 HG LEU 117 HG LEU 117 29.836 39.491 23.096 634 HD11 LEU 117 HD11 LEU 117 28.871 40.390 20.838 635 HD12 LEU 117 HD12 LEU 117 27.580 39.223 21.121 636 HD13 LEU 117 HD13 LEU 117 29.248 38.673 20.976 637 HD21 LEU 117 HD21 LEU 117 29.078 41.754 22.942 638 HD22 LEU 117 HD22 LEU 117 28.248 41.069 24.339 639 HD23 LEU 117 HD23 LEU 117 27.392 41.254 22.808 640 HA PRO 118 HA PRO 118 31.863 36.233 25.806 641 HB2 PRO 118 HB2 PRO 118 33.571 34.593 24.505 642 HB3 PRO 118 HB3 PRO 118 32.066 33.992 25.231 643 HG2 PRO 118 HG2 PRO 118 32.708 34.533 22.391 644 HG3 PRO 118 HG3 PRO 118 31.681 33.276 23.102 645 HD2 PRO 118 HD2 PRO 118 30.759 35.650 21.943 646 HD3 PRO 118 HD3 PRO 118 29.821 34.593 23.017 647 H PHE 119 H PHE 119 33.451 37.708 26.129 648 HA PHE 119 HA PHE 119 35.010 38.663 23.807 649 HB2 PHE 119 HB2 PHE 119 34.785 40.955 24.549 650 HB3 PHE 119 HB3 PHE 119 33.202 40.266 24.243 651 HD1 PHE 119 HD2 PHE 119 31.710 39.668 26.144 652 HD2 PHE 119 HD1 PHE 119 35.461 41.676 26.734 653 HE1 PHE 119 HE2 PHE 119 31.003 40.315 28.431 654 HE2 PHE 119 HE1 PHE 119 34.755 42.323 29.021 655 HZ PHE 119 HZ PHE 119 32.526 41.643 29.871 656 H GLU 120 H GLU 120 37.041 39.612 24.340 657 HA GLU 120 HA GLU 120 38.027 39.026 27.069 658 HB2 GLU 120 HB2 GLU 120 39.474 38.537 24.454 659 HB3 GLU 120 HB3 GLU 120 40.179 38.348 26.058 660 HG2 GLU 120 HG2 GLU 120 38.420 36.671 26.600 661 HG3 GLU 120 HG3 GLU 120 37.805 36.818 24.961 662 H TYR 121 H TYR 121 39.232 40.608 27.994 663 HA TYR 121 HA TYR 121 39.271 43.205 26.825 664 HB2 TYR 121 HB2 TYR 121 40.790 42.121 29.199 665 HB3 TYR 121 HB3 TYR 121 40.635 43.817 28.785 666 HD1 TYR 121 HD2 TYR 121 38.363 44.909 28.878 667 HD2 TYR 121 HD1 TYR 121 39.090 40.949 30.374 668 HE1 TYR 121 HE2 TYR 121 36.261 45.018 30.188 669 HE2 TYR 121 HE1 TYR 121 36.987 41.059 31.684 670 HH TYR 121 HH TYR 121 34.737 43.625 31.300 671 H SER 122 H SER 122 41.717 40.680 27.248 672 HA SER 122 HA SER 122 43.936 42.188 26.352 673 HB2 SER 122 HB2 SER 122 45.076 40.061 26.163 674 HB3 SER 122 HB3 SER 122 44.077 40.046 27.613 675 HG SER 122 HG SER 122 43.458 38.264 26.630 676 H ALA 123 H ALA 123 41.471 40.366 24.620 677 HA ALA 123 HA ALA 123 42.901 40.835 22.077 678 HB1 ALA 123 HB1 ALA 123 41.817 38.978 21.190 679 HB2 ALA 123 HB2 ALA 123 40.485 39.078 22.342 680 HB3 ALA 123 HB3 ALA 123 42.062 38.487 22.866 681 H LEU 124 H LEU 124 41.720 41.609 20.257 682 HA LEU 124 HA LEU 124 39.251 43.105 20.936 683 HB2 LEU 124 HB2 LEU 124 41.444 44.434 20.518 684 HB3 LEU 124 HB3 LEU 124 41.190 44.010 18.824 685 HG LEU 124 HG LEU 124 38.930 45.173 20.430 686 HD11 LEU 124 HD11 LEU 124 41.143 46.713 19.041 687 HD12 LEU 124 HD12 LEU 124 40.788 46.726 20.768 688 HD13 LEU 124 HD13 LEU 124 39.639 47.422 19.627 689 HD21 LEU 124 HD21 LEU 124 38.563 46.142 18.025 690 HD22 LEU 124 HD22 LEU 124 38.204 44.441 18.320 691 HD23 LEU 124 HD23 LEU 124 39.716 44.901 17.536 692 HA PRO 125 HA PRO 125 38.393 39.924 17.609 693 HB2 PRO 125 HB2 PRO 125 35.654 40.343 18.709 694 HB3 PRO 125 HB3 PRO 125 36.485 38.833 18.288 695 HG2 PRO 125 HG2 PRO 125 36.145 39.566 20.818 696 HG3 PRO 125 HG3 PRO 125 37.619 38.738 20.279 697 HD2 PRO 125 HD2 PRO 125 37.229 41.619 20.966 698 HD3 PRO 125 HD3 PRO 125 38.661 40.589 21.184 699 H LEU 126 H LEU 126 38.273 40.784 15.627 700 HA LEU 126 HA LEU 126 37.299 43.343 15.003 701 HB2 LEU 126 HB2 LEU 126 37.591 40.955 13.167 702 HB3 LEU 126 HB3 LEU 126 37.470 42.639 12.663 703 HG LEU 126 HG LEU 126 39.660 41.531 14.443 704 HD11 LEU 126 HD11 LEU 126 39.455 42.005 11.478 705 HD12 LEU 126 HD12 LEU 126 40.138 40.622 12.334 706 HD13 LEU 126 HD13 LEU 126 41.014 42.153 12.291 707 HD21 LEU 126 HD21 LEU 126 40.721 43.763 13.791 708 HD22 LEU 126 HD22 LEU 126 39.348 43.866 14.894 709 HD23 LEU 126 HD23 LEU 126 39.134 44.235 13.183 710 H LEU 127 H LEU 127 35.707 40.189 14.974 711 HA LEU 127 HA LEU 127 33.389 40.853 13.559 712 HB2 LEU 127 HB2 LEU 127 33.654 38.947 15.896 713 HB3 LEU 127 HB3 LEU 127 32.349 38.956 14.711 714 HG LEU 127 HG LEU 127 35.277 38.532 14.044 715 HD11 LEU 127 HD11 LEU 127 32.976 36.632 14.499 716 HD12 LEU 127 HD12 LEU 127 34.594 36.579 15.198 717 HD13 LEU 127 HD13 LEU 127 34.355 36.182 13.496 718 HD21 LEU 127 HD21 LEU 127 32.716 38.520 12.438 719 HD22 LEU 127 HD22 LEU 127 34.166 37.688 11.875 720 HD23 LEU 127 HD23 LEU 127 34.192 39.434 12.128 721 H GLY 128 H GLY 128 34.238 41.433 16.938 722 HA2 GLY 128 HA2 GLY 128 31.763 42.039 18.028 723 HA3 GLY 128 HA3 GLY 128 33.274 42.791 18.526 724 H SER 129 H SER 129 33.786 44.026 15.920 725 HA SER 129 HA SER 129 32.433 46.482 16.309 726 HB2 SER 129 HB2 SER 129 34.653 46.273 15.211 727 HB3 SER 129 HB3 SER 129 33.874 45.504 13.833 728 HG SER 129 HG SER 129 33.289 48.050 14.820 729 H ALA 130 H ALA 130 30.833 47.495 15.065 730 HA ALA 130 HA ALA 130 29.186 45.686 13.390 731 HB1 ALA 130 HB1 ALA 130 27.230 46.427 14.400 732 HB2 ALA 130 HB2 ALA 130 27.969 47.917 14.982 733 HB3 ALA 130 HB3 ALA 130 28.335 46.384 15.773 734 HA PRO 131 HA PRO 131 30.686 49.264 10.776 735 HB2 PRO 131 HB2 PRO 131 29.539 47.347 8.783 736 HB3 PRO 131 HB3 PRO 131 31.014 48.329 8.685 737 HG2 PRO 131 HG2 PRO 131 31.115 45.727 9.212 738 HG3 PRO 131 HG3 PRO 131 32.235 46.874 9.967 739 HD2 PRO 131 HD2 PRO 131 29.943 45.426 11.180 740 HD3 PRO 131 HD3 PRO 131 31.420 46.051 11.945 741 H LEU 132 H LEU 132 27.616 47.622 11.122 742 HA LEU 132 HA LEU 132 26.169 49.569 9.519 743 HB2 LEU 132 HB2 LEU 132 25.221 47.262 11.233 744 HB3 LEU 132 HB3 LEU 132 24.166 48.281 10.255 745 HG LEU 132 HG LEU 132 25.846 47.651 8.321 746 HD11 LEU 132 HD11 LEU 132 26.462 45.139 8.783 747 HD12 LEU 132 HD12 LEU 132 26.371 45.623 10.476 748 HD13 LEU 132 HD13 LEU 132 27.515 46.415 9.392 749 HD21 LEU 132 HD21 LEU 132 23.365 46.991 8.706 750 HD22 LEU 132 HD22 LEU 132 24.013 45.452 9.274 751 HD23 LEU 132 HD23 LEU 132 24.325 45.983 7.622 752 H VAL 133 H VAL 133 25.128 51.316 10.247 753 HA VAL 133 HA VAL 133 25.584 52.312 12.862 754 HB VAL 133 HB VAL 133 23.545 53.196 10.803 755 HG11 VAL 133 HG11 VAL 133 23.738 55.387 11.989 756 HG12 VAL 133 HG12 VAL 133 24.730 54.601 13.217 757 HG13 VAL 133 HG13 VAL 133 23.046 54.122 13.005 758 HG21 VAL 133 HG21 VAL 133 25.861 53.197 9.944 759 HG22 VAL 133 HG22 VAL 133 26.378 54.141 11.341 760 HG23 VAL 133 HG23 VAL 133 25.268 54.843 10.165 761 H ALA 134 H ALA 134 22.825 50.685 11.350 762 HA ALA 134 HA ALA 134 20.913 51.117 13.349 763 HB1 ALA 134 HB1 ALA 134 19.766 49.157 12.435 764 HB2 ALA 134 HB2 ALA 134 21.234 48.681 11.582 765 HB3 ALA 134 HB3 ALA 134 20.396 50.165 11.132 766 H ALA 135 H ALA 135 23.480 48.690 13.125 767 HA ALA 135 HA ALA 135 22.641 47.017 15.225 768 HB1 ALA 135 HB1 ALA 135 24.435 46.430 13.629 769 HB2 ALA 135 HB2 ALA 135 24.963 46.255 15.303 770 HB3 ALA 135 HB3 ALA 135 25.471 47.656 14.361 771 H GLY 136 H GLY 136 24.557 49.996 15.236 772 HA2 GLY 136 HA2 GLY 136 24.971 49.852 18.116 773 HA3 GLY 136 HA3 GLY 136 25.550 51.118 17.038 774 H GLY 137 H GLY 137 24.652 52.247 19.125 775 HA2 GLY 137 HA2 GLY 137 22.559 53.903 18.426 776 HA3 GLY 137 HA3 GLY 137 21.819 52.588 19.333 777 H VAL 138 H VAL 138 22.934 55.620 19.664 778 HA VAL 138 HA VAL 138 23.726 55.212 22.493 779 HB VAL 138 HB VAL 138 24.635 57.433 20.642 780 HG11 VAL 138 HG11 VAL 138 24.497 58.104 23.004 781 HG12 VAL 138 HG12 VAL 138 26.183 57.950 22.510 782 HG13 VAL 138 HG13 VAL 138 25.428 56.681 23.474 783 HG21 VAL 138 HG21 VAL 138 26.850 56.327 20.801 784 HG22 VAL 138 HG22 VAL 138 25.659 55.278 20.034 785 HG23 VAL 138 HG23 VAL 138 26.117 55.010 21.716 786 H ALA 139 H ALA 139 22.601 56.315 23.992 787 HA ALA 139 HA ALA 139 20.442 58.090 23.038 788 HB1 ALA 139 HB1 ALA 139 20.582 57.047 25.840 789 HB2 ALA 139 HB2 ALA 139 20.107 55.947 24.546 790 HB3 ALA 139 HB3 ALA 139 19.170 57.411 24.847 791 H GLY 140 H GLY 140 20.099 60.102 23.997 792 HA2 GLY 140 HA2 GLY 140 20.738 61.605 25.906 793 HA3 GLY 140 HA3 GLY 140 22.403 61.177 25.524 794 H HIS 141 H HIS 141 23.431 62.135 23.799 795 HA HIS 141 HA HIS 141 22.695 64.700 23.018 796 HB2 HIS 141 HB2 HIS 141 24.453 62.731 21.555 797 HB3 HIS 141 HB3 HIS 141 24.384 64.453 21.236 798 HD1 HIS 141 HD1 HIS 141 25.029 65.984 23.453 799 HD2 HIS 141 HD2 HIS 141 26.367 62.035 23.402 800 HE1 HIS 141 HE1 HIS 141 26.898 65.839 25.153 801 H THR 142 H THR 142 21.998 61.601 21.470 802 HA THR 142 HA THR 142 21.095 62.489 18.987 803 HB THR 142 HB THR 142 19.953 60.192 20.591 804 HG1 THR 142 HG1 THR 142 21.773 59.286 20.207 805 HG21 THR 142 HG21 THR 142 20.076 60.828 17.633 806 HG22 THR 142 HG22 THR 142 18.629 60.660 18.627 807 HG23 THR 142 HG23 THR 142 19.628 59.249 18.277 808 H ASN 143 H ASN 143 19.388 62.315 22.087 809 HA ASN 143 HA ASN 143 16.957 63.378 20.834 810 HB2 ASN 143 HB2 ASN 143 16.903 61.454 22.489 811 HB3 ASN 143 HB3 ASN 143 17.352 62.623 23.730 812 HD21 ASN 143 HD21 ASN 143 15.212 62.255 24.764 813 HD22 ASN 143 HD22 ASN 143 13.821 62.969 24.106 814 H GLY 144 H GLY 144 17.225 65.521 20.477 815 HA2 GLY 144 HA2 GLY 144 18.653 67.339 22.064 816 HA3 GLY 144 HA3 GLY 144 17.372 67.768 20.938 817 H SER 145 H SER 145 15.320 66.203 22.302 818 HA SER 145 HA SER 145 14.235 68.172 23.945 819 HB2 SER 145 HB2 SER 145 12.961 66.309 22.885 820 HB3 SER 145 HB3 SER 145 13.650 65.208 24.073 821 HG SER 145 HG SER 145 12.592 66.349 25.627 822 H GLY 146 H GLY 146 16.304 65.434 24.790 823 HA2 GLY 146 HA2 GLY 146 15.928 65.356 27.548 824 HA3 GLY 146 HA3 GLY 146 17.429 64.929 26.735 825 H SER 147 H SER 147 17.998 67.483 25.612 826 HA SER 147 HA SER 147 19.370 68.709 27.756 827 HB2 SER 147 HB2 SER 147 20.001 70.405 26.164 828 HB3 SER 147 HB3 SER 147 20.014 68.848 25.344 829 HG SER 147 HG SER 147 18.882 70.548 24.248 830 H GLU 148 H GLU 148 16.210 69.339 26.330 831 HA GLU 148 HA GLU 148 15.770 71.914 27.373 832 HB2 GLU 148 HB2 GLU 148 13.795 69.705 26.764 833 HB3 GLU 148 HB3 GLU 148 13.362 71.387 27.076 834 HG2 GLU 148 HG2 GLU 148 15.194 70.436 24.855 835 HG3 GLU 148 HG3 GLU 148 13.512 70.908 24.647 836 H ASN 149 H ASN 149 15.405 68.724 28.841 837 HA ASN 149 HA ASN 149 13.813 69.357 31.034 838 HB2 ASN 149 HB2 ASN 149 16.114 67.402 30.842 839 HB3 ASN 149 HB3 ASN 149 14.948 67.448 32.162 840 HD21 ASN 149 HD21 ASN 149 15.282 65.181 30.359 841 HD22 ASN 149 HD22 ASN 149 13.827 65.004 29.503 842 H LEU 150 H LEU 150 17.290 69.832 30.573 843 HA LEU 150 HA LEU 150 17.495 71.014 33.258 844 HB2 LEU 150 HB2 LEU 150 19.667 70.426 31.231 845 HB3 LEU 150 HB3 LEU 150 19.910 70.965 32.892 846 HG LEU 150 HG LEU 150 18.528 68.383 32.098 847 HD11 LEU 150 HD11 LEU 150 21.292 68.861 33.257 848 HD12 LEU 150 HD12 LEU 150 20.957 68.380 31.593 849 HD13 LEU 150 HD13 LEU 150 20.569 67.288 32.923 850 HD21 LEU 150 HD21 LEU 150 17.678 68.999 34.214 851 HD22 LEU 150 HD22 LEU 150 19.212 69.704 34.724 852 HD23 LEU 150 HD23 LEU 150 19.040 67.951 34.614 853 H TYR 151 H TYR 151 17.878 73.154 33.595 854 HA TYR 151 HA TYR 151 18.174 74.892 31.215 855 HB2 TYR 151 HB2 TYR 151 16.668 76.489 32.186 856 HB3 TYR 151 HB3 TYR 151 15.864 74.936 32.092 857 HD1 TYR 151 HD2 TYR 151 15.506 73.588 34.164 858 HD2 TYR 151 HD1 TYR 151 17.092 77.580 34.274 859 HE1 TYR 151 HE2 TYR 151 14.984 73.729 36.584 860 HE2 TYR 151 HE1 TYR 151 16.568 77.721 36.694 861 HH TYR 151 HH TYR 151 14.671 76.255 38.232 862 H PHE 152 H PHE 152 19.711 76.401 31.324 863 HA PHE 152 HA PHE 152 21.640 76.368 33.399 864 HB2 PHE 152 HB2 PHE 152 21.138 78.341 31.174 865 HB3 PHE 152 HB3 PHE 152 22.527 78.405 32.241 866 HD1 PHE 152 HD2 PHE 152 24.239 76.594 32.173 867 HD2 PHE 152 HD1 PHE 152 20.981 76.760 29.379 868 HE1 PHE 152 HE2 PHE 152 25.432 75.006 30.689 869 HE2 PHE 152 HE1 PHE 152 22.175 75.171 27.894 870 HZ PHE 152 HZ PHE 152 24.400 74.294 28.549 871 H GLN 153 H GLN 153 18.910 78.502 32.697 872 HA GLN 153 HA GLN 153 19.528 80.555 34.524 873 HB2 GLN 153 HB2 GLN 153 16.850 79.580 33.506 874 HB3 GLN 153 HB3 GLN 153 17.094 81.081 34.399 875 HG2 GLN 153 HG2 GLN 153 18.608 81.906 32.668 876 HG3 GLN 153 HG3 GLN 153 18.470 80.386 31.790 877 HE21 GLN 153 HE21 GLN 153 17.748 82.880 30.583 878 HE22 GLN 153 HE22 GLN 153 16.070 82.881 30.326 Start of MODEL 20 1 H1 MET 39 HT1 MET 39 38.601 24.644 2.931 2 H2 MET 39 HT2 MET 39 38.495 25.568 4.354 3 H3 MET 39 HT3 MET 39 37.372 25.801 3.099 4 HA MET 39 HA MET 39 37.435 23.800 5.186 5 HB2 MET 39 HB2 MET 39 35.287 24.941 3.372 6 HB3 MET 39 HB3 MET 39 34.991 23.873 4.744 7 HG2 MET 39 HG2 MET 39 36.146 25.557 6.214 8 HG3 MET 39 HG3 MET 39 36.207 26.646 4.828 9 HE1 MET 39 HE1 MET 39 34.400 24.516 7.090 10 HE2 MET 39 HE2 MET 39 32.949 24.249 6.126 11 HE3 MET 39 HE3 MET 39 32.893 25.339 7.509 12 H ASN 40 H ASN 40 38.174 21.825 4.631 13 HA ASN 40 HA ASN 40 38.270 20.722 2.067 14 HB2 ASN 40 HB2 ASN 40 39.452 19.920 4.179 15 HB3 ASN 40 HB3 ASN 40 37.948 19.103 4.592 16 HD21 ASN 40 HD21 ASN 40 39.376 17.090 4.373 17 HD22 ASN 40 HD22 ASN 40 39.575 16.428 2.823 18 H GLY 41 H GLY 41 35.750 20.494 4.553 19 HA2 GLY 41 HA2 GLY 41 33.492 20.073 4.330 20 HA3 GLY 41 HA3 GLY 41 33.708 20.134 2.583 21 H GLU 42 H GLU 42 35.295 17.977 4.914 22 HA GLU 42 HA GLU 42 34.976 15.680 3.315 23 HB2 GLU 42 HB2 GLU 42 35.467 15.924 6.291 24 HB3 GLU 42 HB3 GLU 42 35.632 14.433 5.363 25 HG2 GLU 42 HG2 GLU 42 37.308 15.558 3.909 26 HG3 GLU 42 HG3 GLU 42 37.186 16.996 4.914 27 H ASN 43 H ASN 43 33.002 17.001 5.940 28 HA ASN 43 HA ASN 43 31.210 14.704 5.877 29 HB2 ASN 43 HB2 ASN 43 31.083 17.259 7.483 30 HB3 ASN 43 HB3 ASN 43 30.038 15.856 7.699 31 HD21 ASN 43 HD21 ASN 43 32.292 17.155 9.433 32 HD22 ASN 43 HD22 ASN 43 33.254 15.825 9.866 33 H TYR 44 H TYR 44 31.462 17.111 3.736 34 HA TYR 44 HA TYR 44 28.975 18.400 3.659 35 HB2 TYR 44 HB2 TYR 44 30.930 19.057 2.309 36 HB3 TYR 44 HB3 TYR 44 30.744 17.604 1.346 37 HD1 TYR 44 HD1 TYR 44 29.256 20.882 2.201 38 HD2 TYR 44 HD2 TYR 44 29.067 17.451 -0.378 39 HE1 TYR 44 HE1 TYR 44 27.693 22.093 0.703 40 HE2 TYR 44 HE2 TYR 44 27.504 18.662 -1.875 41 HH TYR 44 HH TYR 44 26.246 20.527 -2.065 42 H PHE 45 H PHE 45 29.993 15.270 2.355 43 HA PHE 45 HA PHE 45 27.770 14.781 0.718 44 HB2 PHE 45 HB2 PHE 45 28.424 12.472 0.756 45 HB3 PHE 45 HB3 PHE 45 29.864 13.467 0.694 46 HD1 PHE 45 HD2 PHE 45 31.321 13.684 2.703 47 HD2 PHE 45 HD1 PHE 45 27.927 11.053 2.623 48 HE1 PHE 45 HE2 PHE 45 32.191 12.499 4.700 49 HE2 PHE 45 HE1 PHE 45 28.797 9.868 4.619 50 HZ PHE 45 HZ PHE 45 30.930 10.591 5.658 51 H LYS 46 H LYS 46 28.275 14.150 4.166 52 HA LYS 46 HA LYS 46 25.671 12.868 4.406 53 HB2 LYS 46 HB2 LYS 46 27.654 12.065 5.689 54 HB3 LYS 46 HB3 LYS 46 27.653 13.592 6.572 55 HG2 LYS 46 HG2 LYS 46 25.408 13.151 7.417 56 HG3 LYS 46 HG3 LYS 46 25.311 11.672 6.462 57 HD2 LYS 46 HD2 LYS 46 25.894 11.047 8.721 58 HD3 LYS 46 HD3 LYS 46 27.323 10.820 7.715 59 HE2 LYS 46 HE2 LYS 46 26.950 13.473 9.056 60 HE3 LYS 46 HE3 LYS 46 27.479 12.106 10.035 61 HZ1 LYS 46 HZ1 LYS 46 28.974 11.980 7.732 62 HZ2 LYS 46 HZ2 LYS 46 29.504 12.484 9.267 63 HZ3 LYS 46 HZ3 LYS 46 28.948 13.627 8.140 64 H LEU 47 H LEU 47 23.854 13.924 4.817 65 HA LEU 47 HA LEU 47 23.995 16.655 5.943 66 HB2 LEU 47 HB2 LEU 47 21.726 15.312 4.452 67 HB3 LEU 47 HB3 LEU 47 21.771 16.990 4.992 68 HG LEU 47 HG LEU 47 23.731 15.755 3.032 69 HD11 LEU 47 HD11 LEU 47 21.427 17.673 2.558 70 HD12 LEU 47 HD12 LEU 47 21.426 15.966 2.121 71 HD13 LEU 47 HD13 LEU 47 22.549 17.075 1.335 72 HD21 LEU 47 HD21 LEU 47 23.317 18.552 4.119 73 HD22 LEU 47 HD22 LEU 47 24.221 18.237 2.637 74 HD23 LEU 47 HD23 LEU 47 24.786 17.577 4.172 75 H GLY 48 H GLY 48 22.888 17.165 7.795 76 HA2 GLY 48 HA2 GLY 48 21.407 14.975 9.139 77 HA3 GLY 48 HA3 GLY 48 22.601 15.944 9.996 78 H SER 49 H SER 49 21.999 18.475 8.946 79 HA SER 49 HA SER 49 19.280 18.931 10.045 80 HB2 SER 49 HB2 SER 49 21.712 20.724 10.238 81 HB3 SER 49 HB3 SER 49 20.111 21.081 10.878 82 HG SER 49 HG SER 49 21.582 20.114 12.377 83 H ASP 50 H ASP 50 17.948 20.355 9.004 84 HA ASP 50 HA ASP 50 18.761 21.132 6.297 85 HB2 ASP 50 HB2 ASP 50 16.391 21.482 5.882 86 HB3 ASP 50 HB3 ASP 50 16.657 19.892 6.589 87 H SER 51 H SER 51 19.251 22.637 9.079 88 HA SER 51 HA SER 51 17.918 25.098 8.959 89 HB2 SER 51 HB2 SER 51 20.724 24.575 9.964 90 HB3 SER 51 HB3 SER 51 19.702 25.946 10.382 91 HG SER 51 HG SER 51 19.760 23.860 11.701 92 H LYS 52 H LYS 52 20.818 23.975 7.283 93 HA LYS 52 HA LYS 52 21.660 26.517 6.336 94 HB2 LYS 52 HB2 LYS 52 23.100 24.480 6.404 95 HB3 LYS 52 HB3 LYS 52 22.149 23.807 5.079 96 HG2 LYS 52 HG2 LYS 52 22.764 25.676 3.635 97 HG3 LYS 52 HG3 LYS 52 23.636 26.446 4.961 98 HD2 LYS 52 HD2 LYS 52 25.260 25.306 3.583 99 HD3 LYS 52 HD3 LYS 52 25.101 24.399 5.087 100 HE2 LYS 52 HE2 LYS 52 23.692 22.755 4.044 101 HE3 LYS 52 HE3 LYS 52 23.543 23.729 2.581 102 HZ1 LYS 52 HZ1 LYS 52 25.156 21.940 2.318 103 HZ2 LYS 52 HZ2 LYS 52 26.067 22.553 3.614 104 HZ3 LYS 52 HZ3 LYS 52 25.901 23.459 2.187 105 H LEU 53 H LEU 53 21.026 27.703 4.640 106 HA LEU 53 HA LEU 53 19.546 26.526 2.436 107 HB2 LEU 53 HB2 LEU 53 17.796 27.006 4.150 108 HB3 LEU 53 HB3 LEU 53 18.270 28.705 4.109 109 HG LEU 53 HG LEU 53 17.846 28.638 1.599 110 HD11 LEU 53 HD11 LEU 53 16.710 25.960 2.427 111 HD12 LEU 53 HD12 LEU 53 17.879 26.293 1.150 112 HD13 LEU 53 HD13 LEU 53 16.198 26.788 0.957 113 HD21 LEU 53 HD21 LEU 53 16.251 29.658 3.171 114 HD22 LEU 53 HD22 LEU 53 15.526 28.080 3.478 115 HD23 LEU 53 HD23 LEU 53 15.385 28.820 1.884 116 H LEU 54 H LEU 54 19.850 29.818 3.792 117 HA LEU 54 HA LEU 54 20.989 30.696 1.223 118 HB2 LEU 54 HB2 LEU 54 19.962 32.341 3.549 119 HB3 LEU 54 HB3 LEU 54 20.468 32.961 1.978 120 HG LEU 54 HG LEU 54 18.195 30.999 2.405 121 HD11 LEU 54 HD11 LEU 54 18.295 33.996 2.071 122 HD12 LEU 54 HD12 LEU 54 17.414 33.053 3.273 123 HD13 LEU 54 HD13 LEU 54 16.868 33.074 1.597 124 HD21 LEU 54 HD21 LEU 54 19.020 30.669 0.210 125 HD22 LEU 54 HD22 LEU 54 19.379 32.383 -0.004 126 HD23 LEU 54 HD23 LEU 54 17.706 31.826 -0.005 127 H THR 55 H THR 55 23.065 31.274 1.033 128 HA THR 55 HA THR 55 24.946 30.740 3.068 129 HB THR 55 HB THR 55 25.319 32.491 0.627 130 HG1 THR 55 HG1 THR 55 25.741 29.757 0.902 131 HG21 THR 55 HG21 THR 55 27.117 32.576 2.356 132 HG22 THR 55 HG22 THR 55 27.662 31.860 0.839 133 HG23 THR 55 HG23 THR 55 27.290 30.826 2.218 134 H HIS 56 H HIS 56 23.428 33.745 1.977 135 HA HIS 56 HA HIS 56 25.056 35.560 3.362 136 HB2 HIS 56 HB2 HIS 56 23.406 36.174 1.622 137 HB3 HIS 56 HB3 HIS 56 22.110 35.803 2.744 138 HD1 HIS 56 HD1 HIS 56 25.187 38.070 2.669 139 HD2 HIS 56 HD2 HIS 56 21.268 38.050 4.090 140 HE1 HIS 56 HE1 HIS 56 24.793 40.342 3.711 141 H ASN 57 H ASN 57 22.046 33.951 4.379 142 HA ASN 57 HA ASN 57 22.549 34.896 7.143 143 HB2 ASN 57 HB2 ASN 57 19.974 34.050 5.799 144 HB3 ASN 57 HB3 ASN 57 20.127 34.468 7.504 145 HD21 ASN 57 HD21 ASN 57 18.471 35.937 5.600 146 HD22 ASN 57 HD22 ASN 57 19.111 37.505 5.489 147 H SER 58 H SER 58 23.235 33.412 8.533 148 HA SER 58 HA SER 58 22.408 30.595 8.151 149 HB2 SER 58 HB2 SER 58 25.158 31.568 8.962 150 HB3 SER 58 HB3 SER 58 24.643 29.887 8.882 151 HG SER 58 HG SER 58 25.696 30.975 6.983 152 H TYR 59 H TYR 59 21.996 29.435 10.000 153 HA TYR 59 HA TYR 59 22.507 30.689 12.600 154 HB2 TYR 59 HB2 TYR 59 20.260 30.398 13.368 155 HB3 TYR 59 HB3 TYR 59 20.216 31.337 11.891 156 HD1 TYR 59 HD2 TYR 59 19.418 30.286 9.770 157 HD2 TYR 59 HD1 TYR 59 19.225 28.247 13.546 158 HE1 TYR 59 HE2 TYR 59 17.793 28.673 8.816 159 HE2 TYR 59 HE1 TYR 59 17.600 26.636 12.592 160 HH TYR 59 HH TYR 59 16.094 27.117 9.618 161 H GLN 60 H GLN 60 22.240 29.130 14.407 162 HA GLN 60 HA GLN 60 22.428 26.318 13.578 163 HB2 GLN 60 HB2 GLN 60 24.571 27.789 15.122 164 HB3 GLN 60 HB3 GLN 60 24.495 26.037 14.943 165 HG2 GLN 60 HG2 GLN 60 24.650 26.251 12.508 166 HG3 GLN 60 HG3 GLN 60 24.648 28.006 12.644 167 HE21 GLN 60 HE21 GLN 60 26.816 26.599 11.408 168 HE22 GLN 60 HE22 GLN 60 28.195 26.790 12.380 169 H ASN 61 H ASN 61 22.760 28.453 16.440 170 HA ASN 61 HA ASN 61 21.633 26.287 18.076 171 HB2 ASN 61 HB2 ASN 61 23.088 28.825 18.836 172 HB3 ASN 61 HB3 ASN 61 22.464 27.646 19.987 173 HD21 ASN 61 HD21 ASN 61 25.295 28.298 19.674 174 HD22 ASN 61 HD22 ASN 61 26.075 26.886 19.144 175 H ARG 62 H ARG 62 19.544 26.312 18.437 176 HA ARG 62 HA ARG 62 18.333 28.727 19.525 177 HB2 ARG 62 HB2 ARG 62 16.374 28.619 18.077 178 HB3 ARG 62 HB3 ARG 62 17.827 28.834 17.104 179 HG2 ARG 62 HG2 ARG 62 17.861 26.330 16.759 180 HG3 ARG 62 HG3 ARG 62 16.280 26.265 17.540 181 HD2 ARG 62 HD2 ARG 62 15.424 27.889 15.846 182 HD3 ARG 62 HD3 ARG 62 16.981 27.808 15.029 183 HE ARG 62 HE ARG 62 14.874 25.896 14.851 184 HH11 ARG 62 HH11 ARG 62 18.377 26.111 14.894 185 HH12 ARG 62 HH12 ARG 62 18.577 24.638 14.005 186 HH21 ARG 62 HH21 ARG 62 15.194 24.009 13.710 187 HH22 ARG 62 HH22 ARG 62 16.796 23.464 13.343 188 H LEU 63 H LEU 63 16.549 28.279 20.916 189 HA LEU 63 HA LEU 63 16.463 25.429 21.738 190 HB2 LEU 63 HB2 LEU 63 15.935 27.908 23.390 191 HB3 LEU 63 HB3 LEU 63 15.937 26.247 23.976 192 HG LEU 63 HG LEU 63 18.322 27.635 22.717 193 HD11 LEU 63 HD11 LEU 63 17.577 27.073 25.599 194 HD12 LEU 63 HD12 LEU 63 17.905 28.642 24.862 195 HD13 LEU 63 HD13 LEU 63 19.215 27.482 25.088 196 HD21 LEU 63 HD21 LEU 63 19.444 25.592 23.895 197 HD22 LEU 63 HD22 LEU 63 18.620 25.325 22.358 198 HD23 LEU 63 HD23 LEU 63 17.824 24.895 23.872 199 H PHE 64 H PHE 64 14.614 24.376 21.480 200 HA PHE 64 HA PHE 64 12.109 25.869 21.132 201 HB2 PHE 64 HB2 PHE 64 12.819 22.960 20.753 202 HB3 PHE 64 HB3 PHE 64 11.189 23.585 20.608 203 HD1 PHE 64 HD2 PHE 64 10.616 25.163 18.767 204 HD2 PHE 64 HD1 PHE 64 14.457 23.259 19.029 205 HE1 PHE 64 HE2 PHE 64 11.055 25.722 16.392 206 HE2 PHE 64 HE1 PHE 64 14.896 23.817 16.653 207 HZ PHE 64 HZ PHE 64 13.192 25.047 15.334 208 H TYR 65 H TYR 65 10.612 26.020 22.727 209 HA TYR 65 HA TYR 65 10.714 24.025 24.923 210 HB2 TYR 65 HB2 TYR 65 11.454 26.374 25.556 211 HB3 TYR 65 HB3 TYR 65 9.808 26.884 25.228 212 HD1 TYR 65 HD2 TYR 65 11.989 24.918 27.445 213 HD2 TYR 65 HD1 TYR 65 7.977 26.268 26.721 214 HE1 TYR 65 HE2 TYR 65 11.345 24.225 29.735 215 HE2 TYR 65 HE1 TYR 65 7.330 25.573 29.014 216 HH TYR 65 HH TYR 65 8.143 24.824 30.996 217 H THR 66 H THR 66 8.737 23.231 25.637 218 HA THR 66 HA THR 66 6.449 23.839 23.855 219 HB THR 66 HB THR 66 6.965 21.319 25.450 220 HG1 THR 66 HG1 THR 66 8.420 21.680 23.732 221 HG21 THR 66 HG21 THR 66 4.629 21.552 25.018 222 HG22 THR 66 HG22 THR 66 5.237 20.456 23.777 223 HG23 THR 66 HG23 THR 66 4.919 22.145 23.382 224 H LEU 67 H LEU 67 4.470 24.281 24.696 225 HA LEU 67 HA LEU 67 4.352 25.057 27.494 226 HB2 LEU 67 HB2 LEU 67 2.387 25.291 25.204 227 HB3 LEU 67 HB3 LEU 67 2.082 25.907 26.825 228 HG LEU 67 HG LEU 67 4.471 26.707 25.140 229 HD11 LEU 67 HD11 LEU 67 3.066 28.929 25.119 230 HD12 LEU 67 HD12 LEU 67 1.702 27.847 25.399 231 HD13 LEU 67 HD13 LEU 67 2.695 27.658 23.954 232 HD21 LEU 67 HD21 LEU 67 5.036 27.176 27.359 233 HD22 LEU 67 HD22 LEU 67 3.364 27.486 27.825 234 HD23 LEU 67 HD23 LEU 67 4.251 28.680 26.878 235 H LYS 68 H LYS 68 3.465 23.889 29.074 236 HA LYS 68 HA LYS 68 1.690 21.626 28.358 237 HB2 LYS 68 HB2 LYS 68 3.801 21.750 30.523 238 HB3 LYS 68 HB3 LYS 68 2.649 20.430 30.311 239 HG2 LYS 68 HG2 LYS 68 3.519 20.092 27.997 240 HG3 LYS 68 HG3 LYS 68 4.734 21.334 28.303 241 HD2 LYS 68 HD2 LYS 68 5.557 19.993 30.244 242 HD3 LYS 68 HD3 LYS 68 4.415 18.720 29.806 243 HE2 LYS 68 HE2 LYS 68 6.426 18.048 28.765 244 HE3 LYS 68 HE3 LYS 68 5.513 18.814 27.464 245 HZ1 LYS 68 HZ1 LYS 68 6.732 20.850 27.828 246 HZ2 LYS 68 HZ2 LYS 68 7.818 19.573 27.543 247 HZ3 LYS 68 HZ3 LYS 68 7.582 20.154 29.122 248 H THR 69 H THR 69 -0.045 21.219 29.733 249 HA THR 69 HA THR 69 -1.320 23.412 30.882 250 HB THR 69 HB THR 69 -2.528 21.392 30.233 251 HG1 THR 69 HG1 THR 69 -2.811 21.591 32.970 252 HG21 THR 69 HG21 THR 69 -1.243 20.080 32.640 253 HG22 THR 69 HG22 THR 69 -0.721 19.808 30.977 254 HG23 THR 69 HG23 THR 69 -2.342 19.331 31.482 255 H GLY 70 H GLY 70 -1.369 24.328 32.858 256 HA2 GLY 70 HA2 GLY 70 -1.144 24.212 35.263 257 HA3 GLY 70 HA3 GLY 70 0.166 23.062 35.044 258 H GLU 71 H GLU 71 1.307 24.771 32.806 259 HA GLU 71 HA GLU 71 2.580 26.796 34.552 260 HB2 GLU 71 HB2 GLU 71 4.029 24.962 33.596 261 HB3 GLU 71 HB3 GLU 71 3.682 25.618 31.995 262 HG2 GLU 71 HG2 GLU 71 4.555 27.825 32.741 263 HG3 GLU 71 HG3 GLU 71 4.977 27.111 34.291 264 H THR 72 H THR 72 2.844 28.898 33.802 265 HA THR 72 HA THR 72 1.239 29.599 31.409 266 HB THR 72 HB THR 72 0.792 31.741 32.466 267 HG1 THR 72 HG1 THR 72 2.031 30.870 34.765 268 HG21 THR 72 HG21 THR 72 -0.635 29.733 33.008 269 HG22 THR 72 HG22 THR 72 -0.659 30.994 34.240 270 HG23 THR 72 HG23 THR 72 0.307 29.539 34.486 271 H VAL 73 H VAL 73 1.939 31.560 30.268 272 HA VAL 73 HA VAL 73 4.607 31.385 29.432 273 HB VAL 73 HB VAL 73 2.719 33.742 29.183 274 HG11 VAL 73 HG11 VAL 73 5.198 32.957 27.621 275 HG12 VAL 73 HG12 VAL 73 5.019 34.374 28.654 276 HG13 VAL 73 HG13 VAL 73 4.090 34.249 27.160 277 HG21 VAL 73 HG21 VAL 73 3.249 31.452 27.266 278 HG22 VAL 73 HG22 VAL 73 2.083 32.759 27.051 279 HG23 VAL 73 HG23 VAL 73 1.838 31.558 28.319 280 H ALA 74 H ALA 74 3.056 33.563 31.771 281 HA ALA 74 HA ALA 74 5.256 35.253 32.220 282 HB1 ALA 74 HB1 ALA 74 3.351 36.117 33.170 283 HB2 ALA 74 HB2 ALA 74 4.075 35.385 34.602 284 HB3 ALA 74 HB3 ALA 74 2.789 34.544 33.736 285 H ASP 75 H ASP 75 4.384 32.129 33.666 286 HA ASP 75 HA ASP 75 6.303 32.123 35.729 287 HB2 ASP 75 HB2 ASP 75 5.092 29.831 34.171 288 HB3 ASP 75 HB3 ASP 75 6.087 29.629 35.607 289 H LEU 76 H LEU 76 6.463 30.937 32.384 290 HA LEU 76 HA LEU 76 9.072 29.909 32.452 291 HB2 LEU 76 HB2 LEU 76 7.495 31.170 30.202 292 HB3 LEU 76 HB3 LEU 76 9.067 30.407 29.969 293 HG LEU 76 HG LEU 76 6.851 28.924 31.364 294 HD11 LEU 76 HD11 LEU 76 6.341 27.922 29.103 295 HD12 LEU 76 HD12 LEU 76 7.314 29.204 28.381 296 HD13 LEU 76 HD13 LEU 76 5.846 29.607 29.272 297 HD21 LEU 76 HD21 LEU 76 8.123 27.005 30.755 298 HD22 LEU 76 HD22 LEU 76 9.320 28.189 31.275 299 HD23 LEU 76 HD23 LEU 76 9.050 27.906 29.555 300 H SER 77 H SER 77 7.902 33.174 31.773 301 HA SER 77 HA SER 77 10.333 34.323 30.974 302 HB2 SER 77 HB2 SER 77 8.022 35.335 30.780 303 HB3 SER 77 HB3 SER 77 8.131 35.730 32.492 304 HG SER 77 HG SER 77 9.317 37.330 31.891 305 H LYS 78 H LYS 78 8.882 34.002 34.193 306 HA LYS 78 HA LYS 78 10.773 35.565 35.585 307 HB2 LYS 78 HB2 LYS 78 8.562 34.854 36.487 308 HB3 LYS 78 HB3 LYS 78 9.190 33.214 36.646 309 HG2 LYS 78 HG2 LYS 78 10.998 34.080 38.120 310 HG3 LYS 78 HG3 LYS 78 10.283 35.689 38.016 311 HD2 LYS 78 HD2 LYS 78 8.151 34.740 38.930 312 HD3 LYS 78 HD3 LYS 78 8.985 33.204 39.168 313 HE2 LYS 78 HE2 LYS 78 9.194 34.249 41.265 314 HE3 LYS 78 HE3 LYS 78 10.733 34.609 40.481 315 HZ1 LYS 78 HZ1 LYS 78 9.699 36.565 41.523 316 HZ2 LYS 78 HZ2 LYS 78 8.375 36.411 40.470 317 HZ3 LYS 78 HZ3 LYS 78 9.918 36.759 39.852 318 H SER 79 H SER 79 10.625 32.059 34.998 319 HA SER 79 HA SER 79 12.860 31.360 36.558 320 HB2 SER 79 HB2 SER 79 11.164 29.756 35.661 321 HB3 SER 79 HB3 SER 79 11.874 29.963 34.064 322 HG SER 79 HG SER 79 12.645 28.272 35.722 323 H GLN 80 H GLN 80 12.595 32.192 33.122 324 HA GLN 80 HA GLN 80 15.396 31.778 32.617 325 HB2 GLN 80 HB2 GLN 80 13.225 33.074 30.965 326 HB3 GLN 80 HB3 GLN 80 14.862 32.749 30.392 327 HG2 GLN 80 HG2 GLN 80 14.567 30.358 30.795 328 HG3 GLN 80 HG3 GLN 80 12.963 30.645 31.465 329 HE21 GLN 80 HE21 GLN 80 13.353 28.938 29.200 330 HE22 GLN 80 HE22 GLN 80 12.634 29.673 27.850 331 H ASP 81 H ASP 81 13.839 34.319 34.188 332 HA ASP 81 HA ASP 81 14.451 36.471 34.706 333 HB2 ASP 81 HB2 ASP 81 16.580 35.273 35.287 334 HB3 ASP 81 HB3 ASP 81 17.175 35.654 33.672 335 H ILE 82 H ILE 82 13.209 36.104 32.257 336 HA ILE 82 HA ILE 82 14.551 38.087 30.512 337 HB ILE 82 HB ILE 82 12.590 35.916 29.714 338 HG12 ILE 82 HG12 ILE 82 15.559 36.141 29.131 339 HG13 ILE 82 HG13 ILE 82 14.881 35.107 30.389 340 HG21 ILE 82 HG21 ILE 82 14.218 37.884 28.073 341 HG22 ILE 82 HG22 ILE 82 12.469 37.928 28.297 342 HG23 ILE 82 HG23 ILE 82 13.210 36.595 27.413 343 HD11 ILE 82 HD11 ILE 82 13.412 34.096 28.537 344 HD12 ILE 82 HD12 ILE 82 15.125 33.682 28.506 345 HD13 ILE 82 HD13 ILE 82 14.494 34.902 27.401 346 H ASN 83 H ASN 83 13.241 39.715 29.596 347 HA ASN 83 HA ASN 83 10.950 40.432 31.231 348 HB2 ASN 83 HB2 ASN 83 12.296 41.840 28.915 349 HB3 ASN 83 HB3 ASN 83 10.973 42.513 29.863 350 HD21 ASN 83 HD21 ASN 83 13.634 43.691 29.723 351 HD22 ASN 83 HD22 ASN 83 14.297 43.620 31.283 352 H LEU 84 H LEU 84 8.833 40.481 30.595 353 HA LEU 84 HA LEU 84 7.936 38.691 28.644 354 HB2 LEU 84 HB2 LEU 84 6.476 41.087 29.787 355 HB3 LEU 84 HB3 LEU 84 5.725 39.734 28.944 356 HG LEU 84 HG LEU 84 7.346 39.487 31.496 357 HD11 LEU 84 HD11 LEU 84 5.369 40.523 32.204 358 HD12 LEU 84 HD12 LEU 84 4.942 38.815 32.321 359 HD13 LEU 84 HD13 LEU 84 4.404 39.766 30.937 360 HD21 LEU 84 HD21 LEU 84 7.452 37.434 30.253 361 HD22 LEU 84 HD22 LEU 84 5.745 37.533 29.824 362 HD23 LEU 84 HD23 LEU 84 6.217 37.200 31.489 363 H SER 85 H SER 85 8.569 42.168 28.421 364 HA SER 85 HA SER 85 7.377 42.643 25.922 365 HB2 SER 85 HB2 SER 85 8.261 44.403 27.476 366 HB3 SER 85 HB3 SER 85 9.890 43.938 27.000 367 HG SER 85 HG SER 85 8.822 45.664 25.787 368 H THR 86 H THR 86 10.636 41.525 26.775 369 HA THR 86 HA THR 86 11.711 41.544 24.168 370 HB THR 86 HB THR 86 12.437 39.676 26.436 371 HG1 THR 86 HG1 THR 86 13.887 41.352 26.899 372 HG21 THR 86 HG21 THR 86 14.631 39.642 25.346 373 HG22 THR 86 HG22 THR 86 14.046 40.742 24.098 374 HG23 THR 86 HG23 THR 86 13.387 39.110 24.214 375 H ILE 87 H ILE 87 10.036 39.001 25.995 376 HA ILE 87 HA ILE 87 10.399 36.900 24.172 377 HB ILE 87 HB ILE 87 8.018 37.388 25.985 378 HG12 ILE 87 HG12 ILE 87 10.553 35.804 26.499 379 HG13 ILE 87 HG13 ILE 87 10.267 37.429 27.119 380 HG21 ILE 87 HG21 ILE 87 7.654 35.629 24.276 381 HG22 ILE 87 HG22 ILE 87 7.771 34.939 25.895 382 HG23 ILE 87 HG23 ILE 87 9.142 34.833 24.790 383 HD11 ILE 87 HD11 ILE 87 8.175 36.567 28.218 384 HD12 ILE 87 HD12 ILE 87 9.658 35.852 28.851 385 HD13 ILE 87 HD13 ILE 87 8.649 34.940 27.727 386 H TRP 88 H TRP 88 7.791 39.294 24.431 387 HA TRP 88 HA TRP 88 6.211 38.382 22.306 388 HB2 TRP 88 HB2 TRP 88 5.486 40.077 23.933 389 HB3 TRP 88 HB3 TRP 88 6.624 41.221 23.247 390 HD1 TRP 88 HD1 TRP 88 3.309 39.481 22.553 391 HE1 TRP 88 HE1 TRP 88 2.108 40.712 20.633 392 HE3 TRP 88 HE3 TRP 88 7.000 42.710 21.133 393 HZ2 TRP 88 HZ2 TRP 88 2.644 42.795 18.741 394 HZ3 TRP 88 HZ3 TRP 88 6.631 44.303 19.276 395 HH2 TRP 88 HH2 TRP 88 4.462 44.352 18.078 396 H SER 89 H SER 89 8.862 40.777 22.283 397 HA SER 89 HA SER 89 8.591 41.647 19.662 398 HB2 SER 89 HB2 SER 89 10.880 42.404 19.815 399 HB3 SER 89 HB3 SER 89 10.114 42.625 21.384 400 HG SER 89 HG SER 89 11.635 41.376 22.071 401 H LEU 90 H LEU 90 10.352 38.811 20.880 402 HA LEU 90 HA LEU 90 11.427 38.106 18.325 403 HB2 LEU 90 HB2 LEU 90 11.028 36.392 20.787 404 HB3 LEU 90 HB3 LEU 90 12.052 35.997 19.408 405 HG LEU 90 HG LEU 90 12.401 38.446 21.163 406 HD11 LEU 90 HD11 LEU 90 12.876 36.041 22.107 407 HD12 LEU 90 HD12 LEU 90 14.083 37.309 22.325 408 HD13 LEU 90 HD13 LEU 90 14.288 36.107 21.051 409 HD21 LEU 90 HD21 LEU 90 13.287 38.890 18.985 410 HD22 LEU 90 HD22 LEU 90 13.962 37.266 18.855 411 HD23 LEU 90 HD23 LEU 90 14.669 38.426 19.978 412 H ASN 91 H ASN 91 8.735 36.733 20.248 413 HA ASN 91 HA ASN 91 8.062 34.956 18.046 414 HB2 ASN 91 HB2 ASN 91 6.888 35.286 20.805 415 HB3 ASN 91 HB3 ASN 91 6.346 34.087 19.632 416 HD21 ASN 91 HD21 ASN 91 9.478 35.213 21.065 417 HD22 ASN 91 HD22 ASN 91 10.129 33.650 21.189 418 H LYS 92 H LYS 92 7.336 38.119 18.439 419 HA LYS 92 HA LYS 92 4.616 38.398 18.208 420 HB2 LYS 92 HB2 LYS 92 5.036 40.503 17.106 421 HB3 LYS 92 HB3 LYS 92 6.254 40.255 18.351 422 HG2 LYS 92 HG2 LYS 92 7.814 39.402 16.588 423 HG3 LYS 92 HG3 LYS 92 6.603 39.809 15.372 424 HD2 LYS 92 HD2 LYS 92 6.637 42.178 16.314 425 HD3 LYS 92 HD3 LYS 92 8.073 41.698 17.220 426 HE2 LYS 92 HE2 LYS 92 9.142 41.010 15.062 427 HE3 LYS 92 HE3 LYS 92 7.742 41.660 14.208 428 HZ1 LYS 92 HZ1 LYS 92 8.192 43.814 15.281 429 HZ2 LYS 92 HZ2 LYS 92 9.464 43.304 14.276 430 HZ3 LYS 92 HZ3 LYS 92 9.604 43.165 15.963 431 H HIS 93 H HIS 93 6.835 37.191 15.762 432 HA HIS 93 HA HIS 93 4.952 37.401 13.611 433 HB2 HIS 93 HB2 HIS 93 6.539 36.275 12.284 434 HB3 HIS 93 HB3 HIS 93 7.443 37.322 13.352 435 HD1 HIS 93 HD1 HIS 93 8.784 36.098 15.331 436 HD2 HIS 93 HD2 HIS 93 7.127 33.565 12.462 437 HE1 HIS 93 HE1 HIS 93 9.925 33.863 15.607 438 H LEU 94 H LEU 94 5.788 34.891 15.945 439 HA LEU 94 HA LEU 94 4.413 32.762 14.667 440 HB2 LEU 94 HB2 LEU 94 5.014 33.145 17.609 441 HB3 LEU 94 HB3 LEU 94 4.563 31.628 16.833 442 HG LEU 94 HG LEU 94 7.019 33.258 16.132 443 HD11 LEU 94 HD11 LEU 94 8.292 31.798 17.448 444 HD12 LEU 94 HD12 LEU 94 7.032 30.564 17.469 445 HD13 LEU 94 HD13 LEU 94 6.851 32.027 18.438 446 HD21 LEU 94 HD21 LEU 94 7.631 31.074 14.973 447 HD22 LEU 94 HD22 LEU 94 6.308 31.970 14.228 448 HD23 LEU 94 HD23 LEU 94 5.964 30.563 15.233 449 H TYR 95 H TYR 95 3.414 35.137 17.106 450 HA TYR 95 HA TYR 95 0.650 34.082 16.929 451 HB2 TYR 95 HB2 TYR 95 1.950 35.775 19.063 452 HB3 TYR 95 HB3 TYR 95 0.280 35.239 19.067 453 HD1 TYR 95 HD2 TYR 95 -0.217 32.764 19.197 454 HD2 TYR 95 HD1 TYR 95 3.714 34.376 19.825 455 HE1 TYR 95 HE2 TYR 95 0.468 30.659 20.315 456 HE2 TYR 95 HE1 TYR 95 4.399 32.271 20.944 457 HH TYR 95 HH TYR 95 3.540 29.797 20.868 458 H SER 96 H SER 96 -1.085 35.497 16.688 459 HA SER 96 HA SER 96 -0.576 37.607 14.832 460 HB2 SER 96 HB2 SER 96 -3.156 36.880 16.235 461 HB3 SER 96 HB3 SER 96 -2.995 37.879 14.795 462 HG SER 96 HG SER 96 -3.119 36.016 13.846 463 H SER 97 H SER 97 -1.563 37.513 18.244 464 HA SER 97 HA SER 97 -0.834 40.322 18.522 465 HB2 SER 97 HB2 SER 97 -2.974 41.045 19.354 466 HB3 SER 97 HB3 SER 97 -3.228 40.306 17.777 467 HG SER 97 HG SER 97 -3.982 39.456 20.251 468 H GLU 98 H GLU 98 -1.166 41.052 20.834 469 HA GLU 98 HA GLU 98 0.231 39.351 22.585 470 HB2 GLU 98 HB2 GLU 98 -1.488 41.769 23.182 471 HB3 GLU 98 HB3 GLU 98 -0.380 41.013 24.327 472 HG2 GLU 98 HG2 GLU 98 1.490 41.415 22.742 473 HG3 GLU 98 HG3 GLU 98 0.375 42.237 21.659 474 H SER 99 H SER 99 -3.232 39.894 22.132 475 HA SER 99 HA SER 99 -4.191 38.826 24.526 476 HB2 SER 99 HB2 SER 99 -5.558 40.008 22.790 477 HB3 SER 99 HB3 SER 99 -5.490 38.548 21.810 478 HG SER 99 HG SER 99 -7.033 37.869 23.031 479 H GLU 100 H GLU 100 -3.341 37.187 21.491 480 HA GLU 100 HA GLU 100 -4.285 34.633 22.216 481 HB2 GLU 100 HB2 GLU 100 -2.100 35.457 20.296 482 HB3 GLU 100 HB3 GLU 100 -2.736 33.815 20.429 483 HG2 GLU 100 HG2 GLU 100 -5.017 34.688 19.965 484 HG3 GLU 100 HG3 GLU 100 -4.341 36.297 19.757 485 H MET 101 H MET 101 -1.184 36.234 22.820 486 HA MET 101 HA MET 101 0.179 33.955 23.817 487 HB2 MET 101 HB2 MET 101 0.551 36.899 24.414 488 HB3 MET 101 HB3 MET 101 1.669 35.630 24.918 489 HG2 MET 101 HG2 MET 101 1.890 34.959 22.506 490 HG3 MET 101 HG3 MET 101 0.923 36.370 22.076 491 HE1 MET 101 HE1 MET 101 3.544 35.041 24.185 492 HE2 MET 101 HE2 MET 101 4.588 36.383 24.647 493 HE3 MET 101 HE3 MET 101 4.925 35.483 23.172 494 H MET 102 H MET 102 -1.698 36.503 25.450 495 HA MET 102 HA MET 102 -1.293 35.633 28.087 496 HB2 MET 102 HB2 MET 102 -3.702 37.016 26.878 497 HB3 MET 102 HB3 MET 102 -3.369 36.889 28.602 498 HG2 MET 102 HG2 MET 102 -1.604 38.266 26.555 499 HG3 MET 102 HG3 MET 102 -2.648 39.075 27.719 500 HE1 MET 102 HE1 MET 102 -2.722 38.550 30.007 501 HE2 MET 102 HE2 MET 102 -1.293 38.725 31.022 502 HE3 MET 102 HE3 MET 102 -1.877 37.116 30.604 503 H LYS 103 H LYS 103 -3.652 34.622 25.671 504 HA LYS 103 HA LYS 103 -4.983 32.847 27.577 505 HB2 LYS 103 HB2 LYS 103 -5.562 33.408 24.663 506 HB3 LYS 103 HB3 LYS 103 -6.565 32.442 25.746 507 HG2 LYS 103 HG2 LYS 103 -6.720 34.471 27.254 508 HG3 LYS 103 HG3 LYS 103 -5.945 35.398 25.970 509 HD2 LYS 103 HD2 LYS 103 -8.512 33.817 25.641 510 HD3 LYS 103 HD3 LYS 103 -8.435 35.559 25.900 511 HE2 LYS 103 HE2 LYS 103 -7.037 35.760 23.836 512 HE3 LYS 103 HE3 LYS 103 -7.267 34.035 23.554 513 HZ1 LYS 103 HZ1 LYS 103 -9.539 35.900 23.897 514 HZ2 LYS 103 HZ2 LYS 103 -9.559 34.324 23.261 515 HZ3 LYS 103 HZ3 LYS 103 -8.846 35.590 22.380 516 H ALA 104 H ALA 104 -2.145 32.386 26.273 517 HA ALA 104 HA ALA 104 -2.198 30.280 24.491 518 HB1 ALA 104 HB1 ALA 104 -0.262 30.748 26.769 519 HB2 ALA 104 HB2 ALA 104 -0.132 31.401 25.135 520 HB3 ALA 104 HB3 ALA 104 0.020 29.664 25.406 521 H ALA 105 H ALA 105 -2.273 28.080 24.620 522 HA ALA 105 HA ALA 105 -3.074 26.888 27.204 523 HB1 ALA 105 HB1 ALA 105 -4.894 25.800 26.270 524 HB2 ALA 105 HB2 ALA 105 -4.244 25.895 24.633 525 HB3 ALA 105 HB3 ALA 105 -4.931 27.330 25.393 526 HA PRO 106 HA PRO 106 -0.206 23.642 26.535 527 HB2 PRO 106 HB2 PRO 106 -2.278 21.516 26.450 528 HB3 PRO 106 HB3 PRO 106 -0.912 21.723 27.562 529 HG2 PRO 106 HG2 PRO 106 -3.425 22.174 28.322 530 HG3 PRO 106 HG3 PRO 106 -2.069 23.134 28.939 531 HD2 PRO 106 HD2 PRO 106 -4.117 23.879 26.886 532 HD3 PRO 106 HD3 PRO 106 -3.335 24.892 28.122 533 H GLY 107 H GLY 107 0.818 22.536 24.888 534 HA2 GLY 107 HA2 GLY 107 0.811 21.143 22.937 535 HA3 GLY 107 HA3 GLY 107 -0.751 21.811 22.501 536 H GLN 108 H GLN 108 0.646 24.571 23.286 537 HA GLN 108 HA GLN 108 1.447 25.088 20.529 538 HB2 GLN 108 HB2 GLN 108 1.036 26.930 22.889 539 HB3 GLN 108 HB3 GLN 108 1.527 27.471 21.281 540 HG2 GLN 108 HG2 GLN 108 -0.510 26.423 20.327 541 HG3 GLN 108 HG3 GLN 108 -1.015 25.961 21.952 542 HE21 GLN 108 HE21 GLN 108 -0.819 28.627 19.684 543 HE22 GLN 108 HE22 GLN 108 -1.577 29.775 20.678 544 H GLN 109 H GLN 109 3.419 26.217 20.003 545 HA GLN 109 HA GLN 109 5.643 25.396 21.782 546 HB2 GLN 109 HB2 GLN 109 5.555 25.721 18.775 547 HB3 GLN 109 HB3 GLN 109 7.007 25.345 19.706 548 HG2 GLN 109 HG2 GLN 109 5.980 23.289 20.538 549 HG3 GLN 109 HG3 GLN 109 4.480 23.672 19.700 550 HE21 GLN 109 HE21 GLN 109 5.920 21.253 19.169 551 HE22 GLN 109 HE22 GLN 109 6.520 21.329 17.583 552 H ILE 110 H ILE 110 7.356 26.765 22.107 553 HA ILE 110 HA ILE 110 7.120 29.536 21.106 554 HB ILE 110 HB ILE 110 8.023 28.631 23.856 555 HG12 ILE 110 HG12 ILE 110 5.616 30.278 23.031 556 HG13 ILE 110 HG13 ILE 110 5.551 28.554 23.398 557 HG21 ILE 110 HG21 ILE 110 8.133 31.064 24.340 558 HG22 ILE 110 HG22 ILE 110 7.775 31.403 22.646 559 HG23 ILE 110 HG23 ILE 110 9.279 30.591 23.084 560 HD11 ILE 110 HD11 ILE 110 6.528 30.694 25.316 561 HD12 ILE 110 HD12 ILE 110 6.362 28.974 25.668 562 HD13 ILE 110 HD13 ILE 110 4.929 29.955 25.357 563 H ILE 111 H ILE 111 9.000 30.445 20.342 564 HA ILE 111 HA ILE 111 11.379 28.682 20.292 565 HB ILE 111 HB ILE 111 10.713 30.990 18.444 566 HG12 ILE 111 HG12 ILE 111 10.577 28.005 17.915 567 HG13 ILE 111 HG13 ILE 111 9.166 29.012 18.240 568 HG21 ILE 111 HG21 ILE 111 12.785 28.788 18.186 569 HG22 ILE 111 HG22 ILE 111 13.149 30.403 18.792 570 HG23 ILE 111 HG23 ILE 111 12.586 30.191 17.134 571 HD11 ILE 111 HD11 ILE 111 9.244 29.001 15.897 572 HD12 ILE 111 HD12 ILE 111 11.006 29.056 15.860 573 HD13 ILE 111 HD13 ILE 111 10.089 30.497 16.298 574 H LEU 112 H LEU 112 13.230 29.338 21.177 575 HA LEU 112 HA LEU 112 13.407 32.105 22.215 576 HB2 LEU 112 HB2 LEU 112 14.505 29.510 23.305 577 HB3 LEU 112 HB3 LEU 112 14.976 31.100 23.908 578 HG LEU 112 HG LEU 112 12.066 30.363 23.705 579 HD11 LEU 112 HD11 LEU 112 12.127 29.489 25.973 580 HD12 LEU 112 HD12 LEU 112 13.857 29.809 26.088 581 HD13 LEU 112 HD13 LEU 112 13.261 28.567 24.987 582 HD21 LEU 112 HD21 LEU 112 13.777 32.353 25.175 583 HD22 LEU 112 HD22 LEU 112 12.201 31.906 25.828 584 HD23 LEU 112 HD23 LEU 112 12.316 32.633 24.226 585 HA PRO 113 HA PRO 113 17.091 31.739 19.512 586 HB2 PRO 113 HB2 PRO 113 16.907 34.097 18.218 587 HB3 PRO 113 HB3 PRO 113 15.931 32.696 17.735 588 HG2 PRO 113 HG2 PRO 113 15.138 35.126 19.220 589 HG3 PRO 113 HG3 PRO 113 14.203 34.128 18.096 590 HD2 PRO 113 HD2 PRO 113 14.069 34.023 20.912 591 HD3 PRO 113 HD3 PRO 113 13.381 32.839 19.781 592 H LEU 114 H LEU 114 18.993 32.187 20.493 593 HA LEU 114 HA LEU 114 19.135 34.487 22.323 594 HB2 LEU 114 HB2 LEU 114 19.715 32.171 23.126 595 HB3 LEU 114 HB3 LEU 114 21.090 32.198 22.021 596 HG LEU 114 HG LEU 114 21.697 34.440 23.184 597 HD11 LEU 114 HD11 LEU 114 19.365 34.304 24.399 598 HD12 LEU 114 HD12 LEU 114 20.772 34.905 25.275 599 HD13 LEU 114 HD13 LEU 114 20.225 33.245 25.514 600 HD21 LEU 114 HD21 LEU 114 23.004 33.246 24.841 601 HD22 LEU 114 HD22 LEU 114 22.901 32.235 23.401 602 HD23 LEU 114 HD23 LEU 114 21.889 31.881 24.800 603 H LYS 115 H LYS 115 20.197 36.261 21.760 604 HA LYS 115 HA LYS 115 21.347 36.622 19.217 605 HB2 LYS 115 HB2 LYS 115 21.607 38.272 21.737 606 HB3 LYS 115 HB3 LYS 115 22.134 38.799 20.139 607 HG2 LYS 115 HG2 LYS 115 19.810 38.457 19.299 608 HG3 LYS 115 HG3 LYS 115 19.306 38.059 20.943 609 HD2 LYS 115 HD2 LYS 115 20.135 40.292 21.693 610 HD3 LYS 115 HD3 LYS 115 20.491 40.690 20.012 611 HE2 LYS 115 HE2 LYS 115 18.064 40.198 19.483 612 HE3 LYS 115 HE3 LYS 115 17.779 40.091 21.220 613 HZ1 LYS 115 HZ1 LYS 115 19.241 42.439 20.444 614 HZ2 LYS 115 HZ2 LYS 115 17.874 42.291 21.441 615 HZ3 LYS 115 HZ3 LYS 115 17.694 42.364 19.753 616 H LYS 116 H LYS 116 22.796 35.793 22.322 617 HA LYS 116 HA LYS 116 25.453 36.460 21.805 618 HB2 LYS 116 HB2 LYS 116 24.342 34.173 23.445 619 HB3 LYS 116 HB3 LYS 116 26.016 34.725 23.496 620 HG2 LYS 116 HG2 LYS 116 25.211 36.996 24.137 621 HG3 LYS 116 HG3 LYS 116 23.564 36.367 24.192 622 HD2 LYS 116 HD2 LYS 116 24.305 34.691 25.891 623 HD3 LYS 116 HD3 LYS 116 25.896 35.453 25.899 624 HE2 LYS 116 HE2 LYS 116 24.847 37.600 26.565 625 HE3 LYS 116 HE3 LYS 116 23.276 36.801 26.613 626 HZ1 LYS 116 HZ1 LYS 116 24.398 36.962 28.800 627 HZ2 LYS 116 HZ2 LYS 116 25.623 35.942 28.213 628 HZ3 LYS 116 HZ3 LYS 116 24.028 35.371 28.343 629 H LEU 117 H LEU 117 27.224 35.300 21.042 630 HA LEU 117 HA LEU 117 26.588 32.966 19.330 631 HB2 LEU 117 HB2 LEU 117 27.092 35.314 18.246 632 HB3 LEU 117 HB3 LEU 117 28.765 34.902 18.615 633 HG LEU 117 HG LEU 117 28.300 32.658 17.459 634 HD11 LEU 117 HD11 LEU 117 26.425 33.078 15.654 635 HD12 LEU 117 HD12 LEU 117 25.798 34.208 16.853 636 HD13 LEU 117 HD13 LEU 117 25.979 32.502 17.260 637 HD21 LEU 117 HD21 LEU 117 28.186 35.244 15.871 638 HD22 LEU 117 HD22 LEU 117 28.616 33.670 15.202 639 HD23 LEU 117 HD23 LEU 117 29.648 34.422 16.418 640 HA PRO 118 HA PRO 118 29.665 31.681 22.592 641 HB2 PRO 118 HB2 PRO 118 28.944 29.096 21.267 642 HB3 PRO 118 HB3 PRO 118 29.172 29.456 22.990 643 HG2 PRO 118 HG2 PRO 118 26.745 29.195 21.943 644 HG3 PRO 118 HG3 PRO 118 27.086 30.379 23.218 645 HD2 PRO 118 HD2 PRO 118 26.564 30.841 20.330 646 HD3 PRO 118 HD3 PRO 118 26.288 31.917 21.716 647 H PHE 119 H PHE 119 29.509 31.144 19.137 648 HA PHE 119 HA PHE 119 32.383 30.440 19.081 649 HB2 PHE 119 HB2 PHE 119 31.977 29.586 16.849 650 HB3 PHE 119 HB3 PHE 119 30.891 28.833 18.000 651 HD1 PHE 119 HD2 PHE 119 28.479 29.446 18.031 652 HD2 PHE 119 HD1 PHE 119 31.182 30.973 15.066 653 HE1 PHE 119 HE2 PHE 119 26.553 30.113 16.618 654 HE2 PHE 119 HE1 PHE 119 29.257 31.639 13.651 655 HZ PHE 119 HZ PHE 119 26.942 31.209 14.428 656 H GLU 120 H GLU 120 33.823 31.653 17.936 657 HA GLU 120 HA GLU 120 32.944 34.370 17.312 658 HB2 GLU 120 HB2 GLU 120 35.707 33.171 17.554 659 HB3 GLU 120 HB3 GLU 120 35.364 34.877 17.262 660 HG2 GLU 120 HG2 GLU 120 34.048 34.943 19.374 661 HG3 GLU 120 HG3 GLU 120 34.493 33.269 19.678 662 H TYR 121 H TYR 121 32.703 31.853 15.428 663 HA TYR 121 HA TYR 121 34.361 32.201 13.210 664 HB2 TYR 121 HB2 TYR 121 32.787 30.308 13.544 665 HB3 TYR 121 HB3 TYR 121 31.454 31.389 13.186 666 HD1 TYR 121 HD1 TYR 121 34.427 29.686 11.792 667 HD2 TYR 121 HD2 TYR 121 30.940 32.038 10.924 668 HE1 TYR 121 HE1 TYR 121 34.707 29.208 9.375 669 HE2 TYR 121 HE2 TYR 121 31.220 31.560 8.507 670 HH TYR 121 HH TYR 121 34.011 30.166 7.240 671 H SER 122 H SER 122 31.408 33.918 14.132 672 HA SER 122 HA SER 122 30.914 35.208 11.684 673 HB2 SER 122 HB2 SER 122 29.459 36.643 12.899 674 HB3 SER 122 HB3 SER 122 29.392 35.085 13.716 675 HG SER 122 HG SER 122 31.155 36.084 15.004 676 H ALA 123 H ALA 123 31.784 36.906 10.691 677 HA ALA 123 HA ALA 123 34.242 38.043 11.596 678 HB1 ALA 123 HB1 ALA 123 32.529 39.231 9.430 679 HB2 ALA 123 HB2 ALA 123 33.388 37.712 9.175 680 HB3 ALA 123 HB3 ALA 123 34.287 39.182 9.550 681 H LEU 124 H LEU 124 30.875 39.076 11.724 682 HA LEU 124 HA LEU 124 31.729 41.574 13.072 683 HB2 LEU 124 HB2 LEU 124 30.509 41.693 10.784 684 HB3 LEU 124 HB3 LEU 124 29.073 41.239 11.703 685 HG LEU 124 HG LEU 124 30.818 43.487 12.673 686 HD11 LEU 124 HD11 LEU 124 30.350 44.052 10.344 687 HD12 LEU 124 HD12 LEU 124 29.343 45.047 11.395 688 HD13 LEU 124 HD13 LEU 124 28.645 43.657 10.563 689 HD21 LEU 124 HD21 LEU 124 28.380 44.227 13.317 690 HD22 LEU 124 HD22 LEU 124 29.172 42.957 14.250 691 HD23 LEU 124 HD23 LEU 124 27.986 42.535 13.015 692 HA PRO 125 HA PRO 125 29.459 38.914 16.166 693 HB2 PRO 125 HB2 PRO 125 31.206 40.448 18.023 694 HB3 PRO 125 HB3 PRO 125 30.869 38.707 17.964 695 HG2 PRO 125 HG2 PRO 125 33.204 39.688 17.171 696 HG3 PRO 125 HG3 PRO 125 32.442 38.319 16.338 697 HD2 PRO 125 HD2 PRO 125 32.587 41.191 15.484 698 HD3 PRO 125 HD3 PRO 125 32.695 39.713 14.501 699 H LEU 126 H LEU 126 27.483 39.680 16.636 700 HA LEU 126 HA LEU 126 26.731 42.377 16.724 701 HB2 LEU 126 HB2 LEU 126 25.215 40.390 16.446 702 HB3 LEU 126 HB3 LEU 126 25.367 40.099 18.176 703 HG LEU 126 HG LEU 126 24.592 42.850 17.265 704 HD11 LEU 126 HD11 LEU 126 22.583 40.603 17.562 705 HD12 LEU 126 HD12 LEU 126 23.166 41.176 16.000 706 HD13 LEU 126 HD13 LEU 126 22.269 42.264 17.059 707 HD21 LEU 126 HD21 LEU 126 24.789 42.757 19.588 708 HD22 LEU 126 HD22 LEU 126 24.232 41.087 19.670 709 HD23 LEU 126 HD23 LEU 126 23.078 42.389 19.389 710 H LEU 127 H LEU 127 27.698 40.163 19.318 711 HA LEU 127 HA LEU 127 27.135 41.792 21.523 712 HB2 LEU 127 HB2 LEU 127 29.422 39.836 21.197 713 HB3 LEU 127 HB3 LEU 127 28.786 40.440 22.725 714 HG LEU 127 HG LEU 127 27.174 38.877 20.686 715 HD11 LEU 127 HD11 LEU 127 28.692 37.317 21.610 716 HD12 LEU 127 HD12 LEU 127 27.257 37.157 22.625 717 HD13 LEU 127 HD13 LEU 127 28.646 38.082 23.198 718 HD21 LEU 127 HD21 LEU 127 25.661 40.210 21.929 719 HD22 LEU 127 HD22 LEU 127 26.594 40.034 23.415 720 HD23 LEU 127 HD23 LEU 127 25.670 38.669 22.789 721 H GLY 128 H GLY 128 29.875 41.832 19.302 722 HA2 GLY 128 HA2 GLY 128 31.743 43.295 20.720 723 HA3 GLY 128 HA3 GLY 128 31.535 43.390 18.976 724 H SER 129 H SER 129 28.799 44.453 19.159 725 HA SER 129 HA SER 129 29.445 47.206 20.048 726 HB2 SER 129 HB2 SER 129 27.536 46.295 17.881 727 HB3 SER 129 HB3 SER 129 27.852 47.964 18.345 728 HG SER 129 HG SER 129 29.227 46.431 16.717 729 H ALA 130 H ALA 130 27.909 48.365 21.192 730 HA ALA 130 HA ALA 130 25.544 46.857 22.141 731 HB1 ALA 130 HB1 ALA 130 27.506 48.491 23.760 732 HB2 ALA 130 HB2 ALA 130 27.138 46.775 23.932 733 HB3 ALA 130 HB3 ALA 130 25.929 47.983 24.363 734 HA PRO 131 HA PRO 131 24.222 50.954 20.420 735 HB2 PRO 131 HB2 PRO 131 21.672 50.100 19.764 736 HB3 PRO 131 HB3 PRO 131 23.067 50.034 18.671 737 HG2 PRO 131 HG2 PRO 131 21.850 47.879 20.311 738 HG3 PRO 131 HG3 PRO 131 22.537 47.811 18.678 739 HD2 PRO 131 HD2 PRO 131 23.895 46.903 20.843 740 HD3 PRO 131 HD3 PRO 131 24.718 47.633 19.446 741 H LEU 132 H LEU 132 22.575 48.715 22.602 742 HA LEU 132 HA LEU 132 21.109 50.929 23.851 743 HB2 LEU 132 HB2 LEU 132 21.000 47.959 24.429 744 HB3 LEU 132 HB3 LEU 132 19.927 49.189 25.097 745 HG LEU 132 HG LEU 132 20.214 48.570 22.141 746 HD11 LEU 132 HD11 LEU 132 18.191 47.735 24.229 747 HD12 LEU 132 HD12 LEU 132 19.108 46.704 23.132 748 HD13 LEU 132 HD13 LEU 132 17.817 47.728 22.505 749 HD21 LEU 132 HD21 LEU 132 18.578 50.515 23.758 750 HD22 LEU 132 HD22 LEU 132 17.960 49.906 22.222 751 HD23 LEU 132 HD23 LEU 132 19.481 50.798 22.269 752 H VAL 133 H VAL 133 21.656 51.793 25.762 753 HA VAL 133 HA VAL 133 24.184 51.282 26.932 754 HB VAL 133 HB VAL 133 21.786 52.720 28.105 755 HG11 VAL 133 HG11 VAL 133 23.585 53.933 29.400 756 HG12 VAL 133 HG12 VAL 133 24.732 52.725 28.820 757 HG13 VAL 133 HG13 VAL 133 23.385 52.240 29.851 758 HG21 VAL 133 HG21 VAL 133 23.101 54.747 27.297 759 HG22 VAL 133 HG22 VAL 133 22.368 53.767 26.027 760 HG23 VAL 133 HG23 VAL 133 24.092 53.626 26.365 761 H ALA 134 H ALA 134 20.886 50.313 27.822 762 HA ALA 134 HA ALA 134 21.560 49.040 30.259 763 HB1 ALA 134 HB1 ALA 134 19.265 49.577 29.864 764 HB2 ALA 134 HB2 ALA 134 19.371 47.816 29.883 765 HB3 ALA 134 HB3 ALA 134 19.248 48.676 28.348 766 H ALA 135 H ALA 135 22.075 46.929 30.740 767 HA ALA 135 HA ALA 135 22.318 44.991 28.558 768 HB1 ALA 135 HB1 ALA 135 24.682 45.332 30.367 769 HB2 ALA 135 HB2 ALA 135 24.507 46.390 28.967 770 HB3 ALA 135 HB3 ALA 135 24.604 44.643 28.745 771 H GLY 136 H GLY 136 22.393 42.832 29.256 772 HA2 GLY 136 HA2 GLY 136 21.630 42.431 32.091 773 HA3 GLY 136 HA3 GLY 136 21.108 41.410 30.757 774 H GLY 137 H GLY 137 24.395 42.615 31.250 775 HA2 GLY 137 HA2 GLY 137 25.323 39.821 31.406 776 HA3 GLY 137 HA3 GLY 137 26.298 41.198 30.902 777 H VAL 138 H VAL 138 24.191 40.982 33.740 778 HA VAL 138 HA VAL 138 26.583 41.128 35.481 779 HB VAL 138 HB VAL 138 25.338 42.692 36.932 780 HG11 VAL 138 HG11 VAL 138 26.877 43.570 35.220 781 HG12 VAL 138 HG12 VAL 138 25.500 44.652 35.430 782 HG13 VAL 138 HG13 VAL 138 25.570 43.573 34.037 783 HG21 VAL 138 HG21 VAL 138 23.053 42.133 36.409 784 HG22 VAL 138 HG22 VAL 138 23.296 42.493 34.700 785 HG23 VAL 138 HG23 VAL 138 23.303 43.798 35.886 786 H ALA 139 H ALA 139 26.273 40.324 37.634 787 HA ALA 139 HA ALA 139 23.856 38.725 38.095 788 HB1 ALA 139 HB1 ALA 139 25.218 36.752 38.716 789 HB2 ALA 139 HB2 ALA 139 26.665 37.596 38.165 790 HB3 ALA 139 HB3 ALA 139 25.400 37.170 37.013 791 H GLY 140 H GLY 140 23.447 38.279 40.274 792 HA2 GLY 140 HA2 GLY 140 25.044 39.882 42.180 793 HA3 GLY 140 HA3 GLY 140 23.341 39.483 42.372 794 H HIS 141 H HIS 141 25.811 37.177 41.353 795 HA HIS 141 HA HIS 141 25.047 35.198 43.187 796 HB2 HIS 141 HB2 HIS 141 26.327 34.776 41.120 797 HB3 HIS 141 HB3 HIS 141 27.721 35.566 41.834 798 HD1 HIS 141 HD1 HIS 141 29.112 34.224 43.518 799 HD2 HIS 141 HD2 HIS 141 25.719 32.187 42.207 800 HE1 HIS 141 HE1 HIS 141 29.357 31.835 44.321 801 H THR 142 H THR 142 27.544 37.697 43.385 802 HA THR 142 HA THR 142 28.928 36.794 45.630 803 HB THR 142 HB THR 142 29.723 38.660 44.273 804 HG1 THR 142 HG1 THR 142 30.116 38.520 46.601 805 HG21 THR 142 HG21 THR 142 27.518 40.316 45.514 806 HG22 THR 142 HG22 THR 142 27.390 39.603 43.906 807 HG23 THR 142 HG23 THR 142 28.643 40.797 44.245 808 H ASN 143 H ASN 143 25.961 38.726 45.426 809 HA ASN 143 HA ASN 143 25.729 38.641 48.368 810 HB2 ASN 143 HB2 ASN 143 24.272 40.302 46.300 811 HB3 ASN 143 HB3 ASN 143 23.950 40.348 48.031 812 HD21 ASN 143 HD21 ASN 143 24.912 42.631 46.496 813 HD22 ASN 143 HD22 ASN 143 26.452 43.023 47.093 814 H GLY 144 H GLY 144 24.376 37.244 49.278 815 HA2 GLY 144 HA2 GLY 144 22.903 35.326 47.869 816 HA3 GLY 144 HA3 GLY 144 22.677 35.721 49.570 817 H SER 145 H SER 145 21.917 38.460 49.194 818 HA SER 145 HA SER 145 19.142 38.196 48.916 819 HB2 SER 145 HB2 SER 145 20.785 40.711 48.550 820 HB3 SER 145 HB3 SER 145 19.071 40.629 48.935 821 HG SER 145 HG SER 145 19.916 39.327 50.772 822 H GLY 146 H GLY 146 21.606 39.189 46.571 823 HA2 GLY 146 HA2 GLY 146 21.549 39.182 44.265 824 HA3 GLY 146 HA3 GLY 146 20.002 38.351 44.360 825 H SER 147 H SER 147 20.754 41.492 45.806 826 HA SER 147 HA SER 147 18.413 42.735 44.899 827 HB2 SER 147 HB2 SER 147 21.037 44.065 45.608 828 HB3 SER 147 HB3 SER 147 19.450 44.827 45.588 829 HG SER 147 HG SER 147 20.500 42.989 47.346 830 H GLU 148 H GLU 148 21.648 42.601 43.467 831 HA GLU 148 HA GLU 148 21.238 44.487 41.412 832 HB2 GLU 148 HB2 GLU 148 23.038 42.057 41.502 833 HB3 GLU 148 HB3 GLU 148 23.130 43.333 40.286 834 HG2 GLU 148 HG2 GLU 148 23.489 44.997 42.100 835 HG3 GLU 148 HG3 GLU 148 23.482 43.689 43.275 836 H ASN 149 H ASN 149 20.455 41.051 41.631 837 HA ASN 149 HA ASN 149 19.981 40.473 38.950 838 HB2 ASN 149 HB2 ASN 149 19.948 38.872 40.917 839 HB3 ASN 149 HB3 ASN 149 18.308 39.432 41.237 840 HD21 ASN 149 HD21 ASN 149 17.511 37.229 40.714 841 HD22 ASN 149 HD22 ASN 149 17.397 36.730 39.096 842 H LEU 150 H LEU 150 17.897 42.093 41.305 843 HA LEU 150 HA LEU 150 15.753 42.299 39.311 844 HB2 LEU 150 HB2 LEU 150 15.228 41.623 41.661 845 HB3 LEU 150 HB3 LEU 150 15.768 43.215 42.195 846 HG LEU 150 HG LEU 150 14.082 44.212 40.586 847 HD11 LEU 150 HD11 LEU 150 13.623 42.455 39.073 848 HD12 LEU 150 HD12 LEU 150 12.177 42.532 40.080 849 HD13 LEU 150 HD13 LEU 150 13.389 41.284 40.371 850 HD21 LEU 150 HD21 LEU 150 12.347 44.094 42.173 851 HD22 LEU 150 HD22 LEU 150 13.779 43.711 43.129 852 HD23 LEU 150 HD23 LEU 150 12.711 42.417 42.582 853 H TYR 151 H TYR 151 15.437 44.081 38.148 854 HA TYR 151 HA TYR 151 17.248 46.226 38.127 855 HB2 TYR 151 HB2 TYR 151 15.839 45.572 36.213 856 HB3 TYR 151 HB3 TYR 151 14.420 46.141 37.071 857 HD1 TYR 151 HD1 TYR 151 17.566 47.161 35.408 858 HD2 TYR 151 HD2 TYR 151 13.894 48.488 37.200 859 HE1 TYR 151 HE1 TYR 151 17.934 49.431 34.482 860 HE2 TYR 151 HE2 TYR 151 14.263 50.759 36.274 861 HH TYR 151 HH TYR 151 15.893 52.094 35.327 862 H PHE 152 H PHE 152 14.052 45.905 39.625 863 HA PHE 152 HA PHE 152 14.260 48.624 40.705 864 HB2 PHE 152 HB2 PHE 152 12.136 47.858 39.675 865 HB3 PHE 152 HB3 PHE 152 12.011 46.618 40.909 866 HD1 PHE 152 HD1 PHE 152 11.912 50.257 40.250 867 HD2 PHE 152 HD2 PHE 152 11.279 47.147 43.144 868 HE1 PHE 152 HE1 PHE 152 10.755 51.873 41.732 869 HE2 PHE 152 HE2 PHE 152 10.120 48.764 44.626 870 HZ PHE 152 HZ PHE 152 9.857 51.126 43.919 871 H GLN 153 H GLN 153 14.740 49.055 42.774 872 HA GLN 153 HA GLN 153 15.882 47.134 44.468 873 HB2 GLN 153 HB2 GLN 153 14.709 49.847 45.122 874 HB3 GLN 153 HB3 GLN 153 15.703 48.894 46.224 875 HG2 GLN 153 HG2 GLN 153 17.564 48.943 44.640 876 HG3 GLN 153 HG3 GLN 153 16.575 49.811 43.469 877 HE21 GLN 153 HE21 GLN 153 19.031 50.906 44.457 878 HE22 GLN 153 HE22 GLN 153 18.665 52.274 45.392 Start of MODEL 21 1 H1 MET 39 HT1 MET 39 27.256 46.396 43.603 2 H2 MET 39 HT2 MET 39 27.564 47.945 44.231 3 H3 MET 39 HT3 MET 39 27.936 46.564 45.149 4 HA MET 39 HA MET 39 29.275 47.526 42.687 5 HB2 MET 39 HB2 MET 39 30.207 46.974 45.520 6 HB3 MET 39 HB3 MET 39 31.269 47.436 44.188 7 HG2 MET 39 HG2 MET 39 29.874 49.509 43.886 8 HG3 MET 39 HG3 MET 39 29.002 49.073 45.354 9 HE1 MET 39 HE1 MET 39 31.464 49.212 48.158 10 HE2 MET 39 HE2 MET 39 31.642 47.783 47.142 11 HE3 MET 39 HE3 MET 39 30.039 48.451 47.439 12 H ASN 40 H ASN 40 29.664 45.919 41.301 13 HA ASN 40 HA ASN 40 29.934 43.167 42.315 14 HB2 ASN 40 HB2 ASN 40 28.296 43.739 40.460 15 HB3 ASN 40 HB3 ASN 40 29.697 44.046 39.436 16 HD21 ASN 40 HD21 ASN 40 29.041 42.178 38.076 17 HD22 ASN 40 HD22 ASN 40 29.344 40.594 38.609 18 H GLY 41 H GLY 41 31.919 42.406 42.610 19 HA2 GLY 41 HA2 GLY 41 34.217 43.730 41.419 20 HA3 GLY 41 HA3 GLY 41 34.256 42.414 42.588 21 H GLU 42 H GLU 42 36.029 41.954 40.818 22 HA GLU 42 HA GLU 42 34.988 39.757 39.243 23 HB2 GLU 42 HB2 GLU 42 34.695 41.751 37.761 24 HB3 GLU 42 HB3 GLU 42 36.439 42.007 37.833 25 HG2 GLU 42 HG2 GLU 42 36.781 39.706 36.945 26 HG3 GLU 42 HG3 GLU 42 35.038 39.528 36.796 27 H ASN 43 H ASN 43 36.404 38.978 41.087 28 HA ASN 43 HA ASN 43 39.173 39.341 41.168 29 HB2 ASN 43 HB2 ASN 43 37.719 38.140 42.863 30 HB3 ASN 43 HB3 ASN 43 37.764 36.744 41.789 31 HD21 ASN 43 HD21 ASN 43 38.984 35.546 43.469 32 HD22 ASN 43 HD22 ASN 43 40.636 35.858 43.706 33 H TYR 44 H TYR 44 37.217 37.129 39.217 34 HA TYR 44 HA TYR 44 39.472 35.723 38.132 35 HB2 TYR 44 HB2 TYR 44 37.865 34.676 36.665 36 HB3 TYR 44 HB3 TYR 44 37.225 34.728 38.296 37 HD1 TYR 44 HD2 TYR 44 35.425 36.358 38.877 38 HD2 TYR 44 HD1 TYR 44 36.807 35.823 34.846 39 HE1 TYR 44 HE2 TYR 44 33.389 37.490 38.029 40 HE2 TYR 44 HE1 TYR 44 34.770 36.956 33.998 41 HH TYR 44 HH TYR 44 32.539 38.508 36.117 42 H PHE 45 H PHE 45 40.830 36.453 36.650 43 HA PHE 45 HA PHE 45 39.927 38.572 34.783 44 HB2 PHE 45 HB2 PHE 45 41.692 39.263 36.378 45 HB3 PHE 45 HB3 PHE 45 42.721 37.982 35.765 46 HD1 PHE 45 HD1 PHE 45 41.083 41.200 34.946 47 HD2 PHE 45 HD2 PHE 45 43.903 38.216 33.683 48 HE1 PHE 45 HE1 PHE 45 41.911 42.730 33.178 49 HE2 PHE 45 HE2 PHE 45 44.731 39.746 31.916 50 HZ PHE 45 HZ PHE 45 43.735 42.003 31.664 51 H LYS 46 H LYS 46 42.104 35.770 35.102 52 HA LYS 46 HA LYS 46 42.836 35.572 32.402 53 HB2 LYS 46 HB2 LYS 46 42.532 33.316 34.398 54 HB3 LYS 46 HB3 LYS 46 43.488 33.277 32.917 55 HG2 LYS 46 HG2 LYS 46 43.958 35.186 35.225 56 HG3 LYS 46 HG3 LYS 46 44.882 33.715 34.932 57 HD2 LYS 46 HD2 LYS 46 45.468 34.628 32.656 58 HD3 LYS 46 HD3 LYS 46 44.710 36.148 33.134 59 HE2 LYS 46 HE2 LYS 46 46.906 34.845 34.753 60 HE3 LYS 46 HE3 LYS 46 47.228 36.028 33.485 61 HZ1 LYS 46 HZ1 LYS 46 45.998 37.663 34.633 62 HZ2 LYS 46 HZ2 LYS 46 47.017 36.946 35.788 63 HZ3 LYS 46 HZ3 LYS 46 45.368 36.538 35.736 64 H LEU 47 H LEU 47 40.056 34.230 34.143 65 HA LEU 47 HA LEU 47 39.092 32.522 32.139 66 HB2 LEU 47 HB2 LEU 47 38.238 32.613 34.479 67 HB3 LEU 47 HB3 LEU 47 37.447 34.142 34.098 68 HG LEU 47 HG LEU 47 36.262 32.933 32.204 69 HD11 LEU 47 HD11 LEU 47 37.637 31.004 31.900 70 HD12 LEU 47 HD12 LEU 47 36.133 30.407 32.601 71 HD13 LEU 47 HD13 LEU 47 37.564 30.595 33.614 72 HD21 LEU 47 HD21 LEU 47 34.597 31.925 33.699 73 HD22 LEU 47 HD22 LEU 47 35.192 33.432 34.394 74 HD23 LEU 47 HD23 LEU 47 35.774 31.887 35.012 75 H GLY 48 H GLY 48 38.522 35.979 32.696 76 HA2 GLY 48 HA2 GLY 48 37.683 37.630 31.336 77 HA3 GLY 48 HA3 GLY 48 38.329 36.675 30.006 78 H SER 49 H SER 49 35.818 35.501 32.193 79 HA SER 49 HA SER 49 33.757 36.009 30.167 80 HB2 SER 49 HB2 SER 49 34.713 33.778 29.646 81 HB3 SER 49 HB3 SER 49 34.327 33.253 31.280 82 HG SER 49 HG SER 49 32.193 33.555 30.778 83 H ASP 50 H ASP 50 31.902 36.618 31.074 84 HA ASP 50 HA ASP 50 31.574 36.875 33.869 85 HB2 ASP 50 HB2 ASP 50 29.533 36.960 31.638 86 HB3 ASP 50 HB3 ASP 50 29.219 37.444 33.302 87 H SER 51 H SER 51 30.520 34.398 31.574 88 HA SER 51 HA SER 51 29.337 32.878 33.830 89 HB2 SER 51 HB2 SER 51 28.631 32.768 30.889 90 HB3 SER 51 HB3 SER 51 27.902 31.794 32.161 91 HG SER 51 HG SER 51 26.933 33.555 32.885 92 H LYS 52 H LYS 52 30.101 30.909 34.261 93 HA LYS 52 HA LYS 52 32.456 29.897 33.067 94 HB2 LYS 52 HB2 LYS 52 30.372 28.524 34.780 95 HB3 LYS 52 HB3 LYS 52 31.942 27.834 34.365 96 HG2 LYS 52 HG2 LYS 52 33.046 29.817 35.398 97 HG3 LYS 52 HG3 LYS 52 31.459 30.403 35.900 98 HD2 LYS 52 HD2 LYS 52 31.113 28.270 37.154 99 HD3 LYS 52 HD3 LYS 52 32.761 27.797 36.738 100 HE2 LYS 52 HE2 LYS 52 33.070 28.772 38.836 101 HE3 LYS 52 HE3 LYS 52 33.397 30.130 37.760 102 HZ1 LYS 52 HZ1 LYS 52 30.972 30.683 37.991 103 HZ2 LYS 52 HZ2 LYS 52 31.915 30.915 39.386 104 HZ3 LYS 52 HZ3 LYS 52 30.907 29.553 39.256 105 H LEU 53 H LEU 53 29.025 29.171 32.563 106 HA LEU 53 HA LEU 53 29.682 27.177 30.523 107 HB2 LEU 53 HB2 LEU 53 27.830 26.772 32.150 108 HB3 LEU 53 HB3 LEU 53 26.971 28.150 31.459 109 HG LEU 53 HG LEU 53 27.177 26.992 29.201 110 HD11 LEU 53 HD11 LEU 53 28.928 25.421 29.600 111 HD12 LEU 53 HD12 LEU 53 27.457 24.460 29.448 112 HD13 LEU 53 HD13 LEU 53 28.132 24.793 31.043 113 HD21 LEU 53 HD21 LEU 53 25.073 26.987 30.452 114 HD22 LEU 53 HD22 LEU 53 25.630 25.627 31.427 115 HD23 LEU 53 HD23 LEU 53 25.316 25.408 29.706 116 H LEU 54 H LEU 54 29.768 27.647 28.413 117 HA LEU 54 HA LEU 54 28.975 30.359 27.575 118 HB2 LEU 54 HB2 LEU 54 30.757 28.348 26.181 119 HB3 LEU 54 HB3 LEU 54 30.467 30.010 25.672 120 HG LEU 54 HG LEU 54 31.697 29.208 28.326 121 HD11 LEU 54 HD11 LEU 54 33.352 28.718 26.722 122 HD12 LEU 54 HD12 LEU 54 33.722 30.379 27.185 123 HD13 LEU 54 HD13 LEU 54 32.865 30.054 25.679 124 HD21 LEU 54 HD21 LEU 54 32.344 31.737 28.158 125 HD22 LEU 54 HD22 LEU 54 30.708 31.316 28.667 126 HD23 LEU 54 HD23 LEU 54 31.011 31.830 27.007 127 H THR 55 H THR 55 27.375 30.703 26.178 128 HA THR 55 HA THR 55 25.595 28.671 25.354 129 HB THR 55 HB THR 55 25.935 31.420 24.138 130 HG1 THR 55 HG1 THR 55 25.584 31.203 26.471 131 HG21 THR 55 HG21 THR 55 24.465 30.187 22.765 132 HG22 THR 55 HG22 THR 55 23.389 31.043 23.870 133 HG23 THR 55 HG23 THR 55 23.755 29.339 24.139 134 H HIS 56 H HIS 56 28.373 30.155 23.771 135 HA HIS 56 HA HIS 56 27.987 29.415 21.136 136 HB2 HIS 56 HB2 HIS 56 30.552 29.463 22.722 137 HB3 HIS 56 HB3 HIS 56 30.465 29.364 20.974 138 HD1 HIS 56 HD1 HIS 56 30.062 31.726 23.840 139 HD2 HIS 56 HD2 HIS 56 29.700 31.809 19.689 140 HE1 HIS 56 HE1 HIS 56 29.912 34.166 23.185 141 H ASN 57 H ASN 57 28.922 27.377 23.847 142 HA ASN 57 HA ASN 57 30.115 25.233 22.563 143 HB2 ASN 57 HB2 ASN 57 29.798 25.572 25.053 144 HB3 ASN 57 HB3 ASN 57 28.162 24.950 24.846 145 HD21 ASN 57 HD21 ASN 57 28.764 23.057 26.193 146 HD22 ASN 57 HD22 ASN 57 29.698 21.806 25.527 147 H SER 58 H SER 58 26.668 25.975 22.873 148 HA SER 58 HA SER 58 25.775 23.517 21.709 149 HB2 SER 58 HB2 SER 58 23.602 24.480 21.750 150 HB3 SER 58 HB3 SER 58 24.420 25.106 23.177 151 HG SER 58 HG SER 58 24.374 27.006 22.284 152 H TYR 59 H TYR 59 25.545 22.970 19.627 153 HA TYR 59 HA TYR 59 26.703 24.565 17.572 154 HB2 TYR 59 HB2 TYR 59 24.967 22.102 17.391 155 HB3 TYR 59 HB3 TYR 59 25.868 22.801 16.059 156 HD1 TYR 59 HD2 TYR 59 28.392 22.836 16.161 157 HD2 TYR 59 HD1 TYR 59 25.988 20.669 18.984 158 HE1 TYR 59 HE2 TYR 59 30.372 21.496 16.818 159 HE2 TYR 59 HE1 TYR 59 27.967 19.328 19.642 160 HH TYR 59 HH TYR 59 31.135 20.073 18.480 161 H GLN 60 H GLN 60 23.378 23.965 18.607 162 HA GLN 60 HA GLN 60 22.356 25.556 16.361 163 HB2 GLN 60 HB2 GLN 60 20.940 23.921 18.478 164 HB3 GLN 60 HB3 GLN 60 20.126 24.821 17.198 165 HG2 GLN 60 HG2 GLN 60 21.281 23.506 15.492 166 HG3 GLN 60 HG3 GLN 60 22.187 22.648 16.734 167 HE21 GLN 60 HE21 GLN 60 20.506 21.259 14.877 168 HE22 GLN 60 HE22 GLN 60 19.203 20.592 15.736 169 H ASN 61 H ASN 61 21.590 27.575 16.580 170 HA ASN 61 HA ASN 61 21.842 28.854 19.192 171 HB2 ASN 61 HB2 ASN 61 21.675 30.945 17.988 172 HB3 ASN 61 HB3 ASN 61 22.849 29.898 17.196 173 HD21 ASN 61 HD21 ASN 61 21.548 32.031 15.788 174 HD22 ASN 61 HD22 ASN 61 20.537 31.348 14.609 175 H ARG 62 H ARG 62 19.396 27.126 18.027 176 HA ARG 62 HA ARG 62 17.345 28.970 19.111 177 HB2 ARG 62 HB2 ARG 62 17.125 28.762 16.663 178 HB3 ARG 62 HB3 ARG 62 17.026 27.011 16.822 179 HG2 ARG 62 HG2 ARG 62 14.969 27.225 18.135 180 HG3 ARG 62 HG3 ARG 62 15.082 28.985 18.052 181 HD2 ARG 62 HD2 ARG 62 13.539 28.255 16.331 182 HD3 ARG 62 HD3 ARG 62 15.015 28.812 15.550 183 HE ARG 62 HE ARG 62 14.900 25.960 16.119 184 HH11 ARG 62 HH11 ARG 62 14.333 28.468 13.728 185 HH12 ARG 62 HH12 ARG 62 14.404 27.358 12.400 186 HH21 ARG 62 HH21 ARG 62 14.982 24.579 14.369 187 HH22 ARG 62 HH22 ARG 62 14.767 25.184 12.761 188 H LEU 63 H LEU 63 16.456 28.186 20.896 189 HA LEU 63 HA LEU 63 16.457 25.262 21.349 190 HB2 LEU 63 HB2 LEU 63 17.617 26.691 23.038 191 HB3 LEU 63 HB3 LEU 63 16.078 27.489 23.365 192 HG LEU 63 HG LEU 63 15.116 25.186 23.850 193 HD11 LEU 63 HD11 LEU 63 16.696 23.742 22.798 194 HD12 LEU 63 HD12 LEU 63 16.935 23.513 24.530 195 HD13 LEU 63 HD13 LEU 63 18.056 24.517 23.610 196 HD21 LEU 63 HD21 LEU 63 15.881 26.845 25.595 197 HD22 LEU 63 HD22 LEU 63 17.435 26.011 25.622 198 HD23 LEU 63 HD23 LEU 63 15.971 25.162 26.115 199 H PHE 64 H PHE 64 14.570 24.187 21.426 200 HA PHE 64 HA PHE 64 12.087 25.729 21.157 201 HB2 PHE 64 HB2 PHE 64 12.713 22.803 20.777 202 HB3 PHE 64 HB3 PHE 64 11.098 23.474 20.664 203 HD1 PHE 64 HD2 PHE 64 10.523 25.044 18.820 204 HD2 PHE 64 HD1 PHE 64 14.325 23.055 19.019 205 HE1 PHE 64 HE2 PHE 64 10.924 25.572 16.430 206 HE2 PHE 64 HE1 PHE 64 14.725 23.582 16.629 207 HZ PHE 64 HZ PHE 64 13.024 24.839 15.335 208 H TYR 65 H TYR 65 10.695 25.968 22.797 209 HA TYR 65 HA TYR 65 10.785 24.011 25.028 210 HB2 TYR 65 HB2 TYR 65 11.563 26.370 25.565 211 HB3 TYR 65 HB3 TYR 65 9.923 26.896 25.232 212 HD1 TYR 65 HD2 TYR 65 12.066 24.895 27.479 213 HD2 TYR 65 HD1 TYR 65 8.132 26.481 26.806 214 HE1 TYR 65 HE2 TYR 65 11.441 24.330 29.811 215 HE2 TYR 65 HE1 TYR 65 7.506 25.916 29.139 216 HH TYR 65 HH TYR 65 8.233 25.009 31.057 217 H THR 66 H THR 66 8.809 23.201 25.724 218 HA THR 66 HA THR 66 6.527 23.811 23.934 219 HB THR 66 HB THR 66 7.030 21.297 25.542 220 HG1 THR 66 HG1 THR 66 8.501 21.663 23.830 221 HG21 THR 66 HG21 THR 66 4.682 21.632 25.054 222 HG22 THR 66 HG22 THR 66 5.299 20.398 23.956 223 HG23 THR 66 HG23 THR 66 5.045 22.044 23.378 224 H LEU 67 H LEU 67 4.549 24.263 24.755 225 HA LEU 67 HA LEU 67 4.396 25.026 27.556 226 HB2 LEU 67 HB2 LEU 67 2.469 25.277 25.237 227 HB3 LEU 67 HB3 LEU 67 2.127 25.869 26.860 228 HG LEU 67 HG LEU 67 4.552 26.702 25.242 229 HD11 LEU 67 HD11 LEU 67 2.802 27.656 24.020 230 HD12 LEU 67 HD12 LEU 67 3.135 28.917 25.208 231 HD13 LEU 67 HD13 LEU 67 1.770 27.825 25.439 232 HD21 LEU 67 HD21 LEU 67 3.364 27.449 27.903 233 HD22 LEU 67 HD22 LEU 67 4.276 28.654 26.994 234 HD23 LEU 67 HD23 LEU 67 5.050 27.148 27.485 235 H LYS 68 H LYS 68 3.525 23.830 29.111 236 HA LYS 68 HA LYS 68 1.731 21.588 28.371 237 HB2 LYS 68 HB2 LYS 68 3.816 21.697 30.565 238 HB3 LYS 68 HB3 LYS 68 2.659 20.384 30.335 239 HG2 LYS 68 HG2 LYS 68 3.558 20.044 28.033 240 HG3 LYS 68 HG3 LYS 68 4.777 21.277 28.358 241 HD2 LYS 68 HD2 LYS 68 5.563 19.927 30.308 242 HD3 LYS 68 HD3 LYS 68 4.420 18.663 29.851 243 HE2 LYS 68 HE2 LYS 68 6.641 18.151 28.945 244 HE3 LYS 68 HE3 LYS 68 5.516 18.496 27.631 245 HZ1 LYS 68 HZ1 LYS 68 6.438 20.577 27.279 246 HZ2 LYS 68 HZ2 LYS 68 7.801 19.615 27.600 247 HZ3 LYS 68 HZ3 LYS 68 7.175 20.634 28.805 248 H THR 69 H THR 69 0.032 21.125 29.823 249 HA THR 69 HA THR 69 -1.320 23.320 30.869 250 HB THR 69 HB THR 69 -2.444 21.216 30.349 251 HG1 THR 69 HG1 THR 69 -3.536 21.074 32.408 252 HG21 THR 69 HG21 THR 69 -1.040 20.112 32.797 253 HG22 THR 69 HG22 THR 69 -0.590 19.735 31.134 254 HG23 THR 69 HG23 THR 69 -2.168 19.249 31.753 255 H GLY 70 H GLY 70 -1.358 24.370 32.767 256 HA2 GLY 70 HA2 GLY 70 -1.112 24.432 35.171 257 HA3 GLY 70 HA3 GLY 70 0.213 23.287 35.025 258 H GLU 71 H GLU 71 1.304 24.867 32.661 259 HA GLU 71 HA GLU 71 2.619 26.966 34.271 260 HB2 GLU 71 HB2 GLU 71 4.045 25.155 33.284 261 HB3 GLU 71 HB3 GLU 71 3.563 25.716 31.683 262 HG2 GLU 71 HG2 GLU 71 4.432 27.980 32.253 263 HG3 GLU 71 HG3 GLU 71 4.993 27.352 33.795 264 H THR 72 H THR 72 2.746 29.055 33.537 265 HA THR 72 HA THR 72 1.118 29.718 31.150 266 HB THR 72 HB THR 72 0.656 31.865 32.207 267 HG1 THR 72 HG1 THR 72 1.741 32.449 33.890 268 HG21 THR 72 HG21 THR 72 -0.802 31.102 33.955 269 HG22 THR 72 HG22 THR 72 0.192 29.674 34.243 270 HG23 THR 72 HG23 THR 72 -0.735 29.817 32.750 271 H VAL 73 H VAL 73 1.808 31.683 29.988 272 HA VAL 73 HA VAL 73 4.479 31.500 29.157 273 HB VAL 73 HB VAL 73 2.594 33.858 28.882 274 HG11 VAL 73 HG11 VAL 73 3.963 34.355 26.865 275 HG12 VAL 73 HG12 VAL 73 5.055 33.041 27.304 276 HG13 VAL 73 HG13 VAL 73 4.912 34.454 28.348 277 HG21 VAL 73 HG21 VAL 73 1.517 31.927 27.962 278 HG22 VAL 73 HG22 VAL 73 3.019 31.352 27.238 279 HG23 VAL 73 HG23 VAL 73 2.223 32.788 26.594 280 H ALA 74 H ALA 74 2.915 33.745 31.426 281 HA ALA 74 HA ALA 74 5.139 35.414 31.865 282 HB1 ALA 74 HB1 ALA 74 2.629 34.796 33.362 283 HB2 ALA 74 HB2 ALA 74 3.206 36.334 32.719 284 HB3 ALA 74 HB3 ALA 74 3.908 35.679 34.198 285 H ASP 75 H ASP 75 4.148 32.377 33.411 286 HA ASP 75 HA ASP 75 5.976 32.446 35.557 287 HB2 ASP 75 HB2 ASP 75 4.758 30.092 34.099 288 HB3 ASP 75 HB3 ASP 75 5.651 29.973 35.612 289 H LEU 76 H LEU 76 6.236 31.029 32.306 290 HA LEU 76 HA LEU 76 8.784 29.883 32.610 291 HB2 LEU 76 HB2 LEU 76 7.243 29.436 30.706 292 HB3 LEU 76 HB3 LEU 76 7.587 31.050 30.085 293 HG LEU 76 HG LEU 76 10.047 30.404 30.086 294 HD11 LEU 76 HD11 LEU 76 8.789 27.707 30.645 295 HD12 LEU 76 HD12 LEU 76 10.026 28.529 31.594 296 HD13 LEU 76 HD13 LEU 76 10.417 27.896 29.996 297 HD21 LEU 76 HD21 LEU 76 8.486 28.526 28.332 298 HD22 LEU 76 HD22 LEU 76 9.888 29.516 27.927 299 HD23 LEU 76 HD23 LEU 76 8.304 30.268 28.125 300 H SER 77 H SER 77 7.805 33.118 31.537 301 HA SER 77 HA SER 77 10.345 34.071 30.802 302 HB2 SER 77 HB2 SER 77 8.093 35.155 30.354 303 HB3 SER 77 HB3 SER 77 8.136 35.734 32.016 304 HG SER 77 HG SER 77 9.291 37.252 31.158 305 H LYS 78 H LYS 78 8.684 34.099 33.933 306 HA LYS 78 HA LYS 78 10.537 35.713 35.307 307 HB2 LYS 78 HB2 LYS 78 8.261 35.120 36.135 308 HB3 LYS 78 HB3 LYS 78 8.841 33.485 36.453 309 HG2 LYS 78 HG2 LYS 78 10.588 34.426 37.955 310 HG3 LYS 78 HG3 LYS 78 9.918 36.036 37.689 311 HD2 LYS 78 HD2 LYS 78 7.715 35.199 38.549 312 HD3 LYS 78 HD3 LYS 78 8.504 33.674 38.956 313 HE2 LYS 78 HE2 LYS 78 9.834 34.653 40.620 314 HE3 LYS 78 HE3 LYS 78 9.645 36.274 39.950 315 HZ1 LYS 78 HZ1 LYS 78 7.482 36.436 40.753 316 HZ2 LYS 78 HZ2 LYS 78 8.322 35.690 42.027 317 HZ3 LYS 78 HZ3 LYS 78 7.333 34.764 41.001 318 H SER 79 H SER 79 10.328 32.180 34.974 319 HA SER 79 HA SER 79 12.492 31.542 36.658 320 HB2 SER 79 HB2 SER 79 10.797 29.915 35.795 321 HB3 SER 79 HB3 SER 79 11.574 30.007 34.218 322 HG SER 79 HG SER 79 12.462 28.881 36.555 323 H GLN 80 H GLN 80 12.361 32.140 33.166 324 HA GLN 80 HA GLN 80 15.167 31.700 32.766 325 HB2 GLN 80 HB2 GLN 80 13.153 33.083 30.986 326 HB3 GLN 80 HB3 GLN 80 14.754 32.526 30.503 327 HG2 GLN 80 HG2 GLN 80 12.495 30.773 31.514 328 HG3 GLN 80 HG3 GLN 80 13.031 30.899 29.842 329 HE21 GLN 80 HE21 GLN 80 13.188 28.752 32.245 330 HE22 GLN 80 HE22 GLN 80 14.753 28.134 32.030 331 H ASP 81 H ASP 81 13.557 34.329 34.168 332 HA ASP 81 HA ASP 81 14.190 36.474 34.671 333 HB2 ASP 81 HB2 ASP 81 16.258 35.248 35.402 334 HB3 ASP 81 HB3 ASP 81 16.955 35.589 33.820 335 H ILE 82 H ILE 82 13.103 36.036 32.137 336 HA ILE 82 HA ILE 82 14.564 37.998 30.465 337 HB ILE 82 HB ILE 82 12.587 35.879 29.575 338 HG12 ILE 82 HG12 ILE 82 15.589 36.013 29.158 339 HG13 ILE 82 HG13 ILE 82 14.806 34.994 30.368 340 HG21 ILE 82 HG21 ILE 82 13.284 36.536 27.316 341 HG22 ILE 82 HG22 ILE 82 14.384 37.740 27.988 342 HG23 ILE 82 HG23 ILE 82 12.641 37.935 28.176 343 HD11 ILE 82 HD11 ILE 82 13.489 33.913 28.536 344 HD12 ILE 82 HD12 ILE 82 15.227 33.661 28.376 345 HD13 ILE 82 HD13 ILE 82 14.413 34.855 27.365 346 H ASN 83 H ASN 83 13.392 39.705 29.576 347 HA ASN 83 HA ASN 83 11.069 40.509 31.088 348 HB2 ASN 83 HB2 ASN 83 12.483 41.797 28.742 349 HB3 ASN 83 HB3 ASN 83 11.174 42.542 29.656 350 HD21 ASN 83 HD21 ASN 83 13.887 43.613 29.499 351 HD22 ASN 83 HD22 ASN 83 14.528 43.576 31.071 352 H LEU 84 H LEU 84 8.964 40.565 30.441 353 HA LEU 84 HA LEU 84 8.046 38.754 28.517 354 HB2 LEU 84 HB2 LEU 84 6.615 41.191 29.603 355 HB3 LEU 84 HB3 LEU 84 5.852 39.822 28.798 356 HG LEU 84 HG LEU 84 7.469 39.635 31.358 357 HD11 LEU 84 HD11 LEU 84 4.531 39.914 30.787 358 HD12 LEU 84 HD12 LEU 84 5.499 40.703 32.031 359 HD13 LEU 84 HD13 LEU 84 5.062 39.002 32.200 360 HD21 LEU 84 HD21 LEU 84 5.854 37.642 29.743 361 HD22 LEU 84 HD22 LEU 84 6.333 37.354 31.416 362 HD23 LEU 84 HD23 LEU 84 7.563 37.548 30.167 363 H SER 85 H SER 85 8.714 42.221 28.248 364 HA SER 85 HA SER 85 7.533 42.664 25.735 365 HB2 SER 85 HB2 SER 85 8.398 44.444 27.279 366 HB3 SER 85 HB3 SER 85 10.033 43.983 26.815 367 HG SER 85 HG SER 85 8.040 44.736 25.011 368 H THR 86 H THR 86 10.798 41.579 26.623 369 HA THR 86 HA THR 86 11.887 41.586 24.019 370 HB THR 86 HB THR 86 12.624 39.753 26.311 371 HG1 THR 86 HG1 THR 86 13.904 41.415 26.922 372 HG21 THR 86 HG21 THR 86 13.573 39.224 24.050 373 HG22 THR 86 HG22 THR 86 14.797 39.669 25.238 374 HG23 THR 86 HG23 THR 86 14.284 40.838 24.021 375 H ILE 87 H ILE 87 10.251 39.031 25.870 376 HA ILE 87 HA ILE 87 10.664 36.928 24.062 377 HB ILE 87 HB ILE 87 8.279 37.358 25.886 378 HG12 ILE 87 HG12 ILE 87 10.817 35.787 26.414 379 HG13 ILE 87 HG13 ILE 87 10.599 37.451 26.953 380 HG21 ILE 87 HG21 ILE 87 8.238 34.839 25.835 381 HG22 ILE 87 HG22 ILE 87 9.448 34.896 24.553 382 HG23 ILE 87 HG23 ILE 87 7.846 35.585 24.286 383 HD11 ILE 87 HD11 ILE 87 8.460 35.464 27.624 384 HD12 ILE 87 HD12 ILE 87 8.998 36.882 28.522 385 HD13 ILE 87 HD13 ILE 87 9.970 35.411 28.534 386 H TRP 88 H TRP 88 8.015 39.282 24.294 387 HA TRP 88 HA TRP 88 6.450 38.281 22.191 388 HB2 TRP 88 HB2 TRP 88 5.669 39.969 23.804 389 HB3 TRP 88 HB3 TRP 88 6.757 41.146 23.090 390 HD1 TRP 88 HD1 TRP 88 3.970 38.788 21.783 391 HE1 TRP 88 HE1 TRP 88 2.537 40.112 20.099 392 HE3 TRP 88 HE3 TRP 88 6.426 43.263 21.864 393 HZ2 TRP 88 HZ2 TRP 88 2.444 42.728 18.937 394 HZ3 TRP 88 HZ3 TRP 88 5.647 45.149 20.463 395 HH2 TRP 88 HH2 TRP 88 3.664 44.890 19.001 396 H SER 89 H SER 89 9.031 40.749 22.137 397 HA SER 89 HA SER 89 8.744 41.575 19.503 398 HB2 SER 89 HB2 SER 89 11.017 42.382 19.646 399 HB3 SER 89 HB3 SER 89 10.245 42.612 21.210 400 HG SER 89 HG SER 89 12.407 41.490 20.980 401 H LEU 90 H LEU 90 10.561 38.794 20.766 402 HA LEU 90 HA LEU 90 11.625 38.038 18.222 403 HB2 LEU 90 HB2 LEU 90 11.224 36.378 20.722 404 HB3 LEU 90 HB3 LEU 90 12.241 35.946 19.348 405 HG LEU 90 HG LEU 90 12.610 38.441 21.028 406 HD11 LEU 90 HD11 LEU 90 13.060 36.064 22.055 407 HD12 LEU 90 HD12 LEU 90 14.273 37.331 22.238 408 HD13 LEU 90 HD13 LEU 90 14.478 36.086 21.006 409 HD21 LEU 90 HD21 LEU 90 13.494 38.783 18.824 410 HD22 LEU 90 HD22 LEU 90 14.176 37.156 18.777 411 HD23 LEU 90 HD23 LEU 90 14.872 38.374 19.846 412 H ASN 91 H ASN 91 8.943 36.706 20.179 413 HA ASN 91 HA ASN 91 8.232 34.901 18.017 414 HB2 ASN 91 HB2 ASN 91 7.076 35.301 20.775 415 HB3 ASN 91 HB3 ASN 91 6.518 34.082 19.629 416 HD21 ASN 91 HD21 ASN 91 9.660 35.212 21.031 417 HD22 ASN 91 HD22 ASN 91 10.303 33.646 21.183 418 H LYS 92 H LYS 92 7.570 38.074 18.301 419 HA LYS 92 HA LYS 92 4.860 38.421 18.083 420 HB2 LYS 92 HB2 LYS 92 5.323 40.446 16.854 421 HB3 LYS 92 HB3 LYS 92 6.556 40.231 18.092 422 HG2 LYS 92 HG2 LYS 92 8.057 39.230 16.356 423 HG3 LYS 92 HG3 LYS 92 6.836 39.604 15.138 424 HD2 LYS 92 HD2 LYS 92 6.961 42.022 15.936 425 HD3 LYS 92 HD3 LYS 92 8.396 41.550 16.849 426 HE2 LYS 92 HE2 LYS 92 8.042 41.218 13.855 427 HE3 LYS 92 HE3 LYS 92 9.001 42.476 14.634 428 HZ1 LYS 92 HZ1 LYS 92 9.454 39.555 14.919 429 HZ2 LYS 92 HZ2 LYS 92 10.394 40.787 15.616 430 HZ3 LYS 92 HZ3 LYS 92 10.360 40.592 13.929 431 H HIS 93 H HIS 93 6.993 36.995 15.684 432 HA HIS 93 HA HIS 93 5.097 37.143 13.542 433 HB2 HIS 93 HB2 HIS 93 6.612 35.816 12.297 434 HB3 HIS 93 HB3 HIS 93 7.563 36.936 13.243 435 HD1 HIS 93 HD1 HIS 93 8.913 35.883 15.302 436 HD2 HIS 93 HD2 HIS 93 7.099 33.115 12.762 437 HE1 HIS 93 HE1 HIS 93 9.996 33.653 15.784 438 H LEU 94 H LEU 94 5.846 34.749 16.028 439 HA LEU 94 HA LEU 94 4.322 32.630 14.892 440 HB2 LEU 94 HB2 LEU 94 5.073 33.112 17.785 441 HB3 LEU 94 HB3 LEU 94 4.505 31.588 17.104 442 HG LEU 94 HG LEU 94 7.007 33.043 16.208 443 HD11 LEU 94 HD11 LEU 94 8.265 31.598 17.550 444 HD12 LEU 94 HD12 LEU 94 6.953 30.428 17.692 445 HD13 LEU 94 HD13 LEU 94 6.882 31.944 18.587 446 HD21 LEU 94 HD21 LEU 94 5.768 30.368 15.513 447 HD22 LEU 94 HD22 LEU 94 7.447 30.767 15.150 448 HD23 LEU 94 HD23 LEU 94 6.141 31.697 14.415 449 H TYR 95 H TYR 95 3.556 35.137 17.290 450 HA TYR 95 HA TYR 95 0.727 34.250 17.226 451 HB2 TYR 95 HB2 TYR 95 2.167 35.858 19.336 452 HB3 TYR 95 HB3 TYR 95 0.496 35.337 19.396 453 HD1 TYR 95 HD2 TYR 95 -0.028 32.871 19.539 454 HD2 TYR 95 HD1 TYR 95 3.951 34.426 19.991 455 HE1 TYR 95 HE2 TYR 95 0.679 30.750 20.609 456 HE2 TYR 95 HE1 TYR 95 4.659 32.303 21.063 457 HH TYR 95 HH TYR 95 3.758 29.838 21.009 458 H SER 96 H SER 96 -0.912 35.791 17.056 459 HA SER 96 HA SER 96 -0.228 37.964 15.296 460 HB2 SER 96 HB2 SER 96 -2.909 37.211 16.479 461 HB3 SER 96 HB3 SER 96 -2.633 38.304 15.125 462 HG SER 96 HG SER 96 -2.805 35.688 15.100 463 H SER 97 H SER 97 -1.342 37.680 18.653 464 HA SER 97 HA SER 97 -0.685 40.478 19.112 465 HB2 SER 97 HB2 SER 97 -2.879 41.149 19.835 466 HB3 SER 97 HB3 SER 97 -3.025 40.482 18.212 467 HG SER 97 HG SER 97 -4.147 38.920 19.042 468 H GLU 98 H GLU 98 -1.171 41.100 21.422 469 HA GLU 98 HA GLU 98 0.120 39.337 23.193 470 HB2 GLU 98 HB2 GLU 98 -1.667 41.710 23.772 471 HB3 GLU 98 HB3 GLU 98 -0.629 40.916 24.956 472 HG2 GLU 98 HG2 GLU 98 0.329 42.203 22.385 473 HG3 GLU 98 HG3 GLU 98 0.439 42.934 23.981 474 H SER 99 H SER 99 -3.312 39.871 22.526 475 HA SER 99 HA SER 99 -4.414 38.702 24.811 476 HB2 SER 99 HB2 SER 99 -5.682 39.949 23.045 477 HB3 SER 99 HB3 SER 99 -5.534 38.534 22.006 478 HG SER 99 HG SER 99 -6.831 38.742 24.463 479 H GLU 100 H GLU 100 -3.424 37.193 21.749 480 HA GLU 100 HA GLU 100 -4.329 34.595 22.352 481 HB2 GLU 100 HB2 GLU 100 -2.105 35.539 20.538 482 HB3 GLU 100 HB3 GLU 100 -2.699 33.878 20.593 483 HG2 GLU 100 HG2 GLU 100 -4.985 34.702 20.079 484 HG3 GLU 100 HG3 GLU 100 -4.352 36.337 19.955 485 H MET 101 H MET 101 -1.312 36.256 23.156 486 HA MET 101 HA MET 101 0.107 33.976 24.069 487 HB2 MET 101 HB2 MET 101 0.336 36.888 24.866 488 HB3 MET 101 HB3 MET 101 1.492 35.632 25.311 489 HG2 MET 101 HG2 MET 101 1.805 35.147 22.863 490 HG3 MET 101 HG3 MET 101 0.794 36.546 22.508 491 HE1 MET 101 HE1 MET 101 4.973 36.427 24.370 492 HE2 MET 101 HE2 MET 101 3.983 35.086 23.796 493 HE3 MET 101 HE3 MET 101 3.577 35.888 25.312 494 H MET 102 H MET 102 -1.886 36.372 25.795 495 HA MET 102 HA MET 102 -1.512 35.345 28.381 496 HB2 MET 102 HB2 MET 102 -3.872 36.834 27.212 497 HB3 MET 102 HB3 MET 102 -3.613 36.555 28.935 498 HG2 MET 102 HG2 MET 102 -1.382 37.698 28.712 499 HG3 MET 102 HG3 MET 102 -1.821 38.115 27.055 500 HE1 MET 102 HE1 MET 102 -2.300 38.471 30.722 501 HE2 MET 102 HE2 MET 102 -3.973 37.989 30.448 502 HE3 MET 102 HE3 MET 102 -3.611 39.630 30.977 503 H LYS 103 H LYS 103 -3.835 34.478 25.870 504 HA LYS 103 HA LYS 103 -5.187 32.590 27.645 505 HB2 LYS 103 HB2 LYS 103 -5.716 33.230 24.738 506 HB3 LYS 103 HB3 LYS 103 -6.749 32.279 25.804 507 HG2 LYS 103 HG2 LYS 103 -6.014 35.187 26.252 508 HG3 LYS 103 HG3 LYS 103 -7.539 34.628 25.569 509 HD2 LYS 103 HD2 LYS 103 -7.899 33.283 27.672 510 HD3 LYS 103 HD3 LYS 103 -6.478 34.078 28.352 511 HE2 LYS 103 HE2 LYS 103 -7.505 36.181 28.389 512 HE3 LYS 103 HE3 LYS 103 -8.700 35.726 27.175 513 HZ1 LYS 103 HZ1 LYS 103 -8.609 34.388 29.805 514 HZ2 LYS 103 HZ2 LYS 103 -9.898 34.483 28.704 515 HZ3 LYS 103 HZ3 LYS 103 -9.441 35.853 29.599 516 H ALA 104 H ALA 104 -2.320 32.228 26.359 517 HA ALA 104 HA ALA 104 -2.348 30.163 24.514 518 HB1 ALA 104 HB1 ALA 104 -0.427 30.940 26.688 519 HB2 ALA 104 HB2 ALA 104 -0.244 31.083 24.940 520 HB3 ALA 104 HB3 ALA 104 -0.135 29.500 25.711 521 H ALA 105 H ALA 105 -2.318 27.943 24.628 522 HA ALA 105 HA ALA 105 -3.102 26.711 27.198 523 HB1 ALA 105 HB1 ALA 105 -4.239 25.742 24.596 524 HB2 ALA 105 HB2 ALA 105 -4.987 27.105 25.428 525 HB3 ALA 105 HB3 ALA 105 -4.868 25.539 26.231 526 HA PRO 106 HA PRO 106 -0.134 23.552 26.505 527 HB2 PRO 106 HB2 PRO 106 -2.166 21.385 26.382 528 HB3 PRO 106 HB3 PRO 106 -0.792 21.587 27.484 529 HG2 PRO 106 HG2 PRO 106 -3.299 21.982 28.285 530 HG3 PRO 106 HG3 PRO 106 -1.952 22.957 28.901 531 HD2 PRO 106 HD2 PRO 106 -4.046 23.699 26.895 532 HD3 PRO 106 HD3 PRO 106 -3.257 24.706 28.131 533 H GLY 107 H GLY 107 0.920 22.501 24.844 534 HA2 GLY 107 HA2 GLY 107 0.943 21.136 22.869 535 HA3 GLY 107 HA3 GLY 107 -0.623 21.794 22.432 536 H GLN 108 H GLN 108 0.754 24.550 23.293 537 HA GLN 108 HA GLN 108 1.577 25.138 20.558 538 HB2 GLN 108 HB2 GLN 108 1.144 26.908 22.969 539 HB3 GLN 108 HB3 GLN 108 1.670 27.501 21.391 540 HG2 GLN 108 HG2 GLN 108 -0.354 26.506 20.358 541 HG3 GLN 108 HG3 GLN 108 -0.892 25.981 21.952 542 HE21 GLN 108 HE21 GLN 108 -0.586 28.759 19.819 543 HE22 GLN 108 HE22 GLN 108 -1.386 29.858 20.837 544 H GLN 109 H GLN 109 3.562 26.228 20.056 545 HA GLN 109 HA GLN 109 5.767 25.382 21.846 546 HB2 GLN 109 HB2 GLN 109 5.706 25.737 18.841 547 HB3 GLN 109 HB3 GLN 109 7.145 25.339 19.780 548 HG2 GLN 109 HG2 GLN 109 6.098 23.282 20.580 549 HG3 GLN 109 HG3 GLN 109 4.606 23.686 19.735 550 HE21 GLN 109 HE21 GLN 109 6.034 21.262 19.184 551 HE22 GLN 109 HE22 GLN 109 6.646 21.354 17.604 552 H ILE 110 H ILE 110 7.488 26.743 22.190 553 HA ILE 110 HA ILE 110 7.256 29.527 21.220 554 HB ILE 110 HB ILE 110 8.198 28.584 23.945 555 HG12 ILE 110 HG12 ILE 110 5.771 30.235 23.186 556 HG13 ILE 110 HG13 ILE 110 5.716 28.505 23.522 557 HG21 ILE 110 HG21 ILE 110 9.434 30.556 23.192 558 HG22 ILE 110 HG22 ILE 110 8.293 31.017 24.456 559 HG23 ILE 110 HG23 ILE 110 7.927 31.367 22.765 560 HD11 ILE 110 HD11 ILE 110 5.123 29.876 25.514 561 HD12 ILE 110 HD12 ILE 110 6.728 30.603 25.464 562 HD13 ILE 110 HD13 ILE 110 6.551 28.877 25.785 563 H ILE 111 H ILE 111 9.125 30.434 20.434 564 HA ILE 111 HA ILE 111 11.496 28.664 20.330 565 HB ILE 111 HB ILE 111 10.786 30.984 18.515 566 HG12 ILE 111 HG12 ILE 111 10.668 28.002 17.968 567 HG13 ILE 111 HG13 ILE 111 9.255 28.995 18.328 568 HG21 ILE 111 HG21 ILE 111 12.612 30.087 17.117 569 HG22 ILE 111 HG22 ILE 111 12.926 28.838 18.321 570 HG23 ILE 111 HG23 ILE 111 13.212 30.531 18.715 571 HD11 ILE 111 HD11 ILE 111 11.141 29.315 15.977 572 HD12 ILE 111 HD12 ILE 111 9.855 30.453 16.377 573 HD13 ILE 111 HD13 ILE 111 9.456 28.798 15.916 574 H LEU 112 H LEU 112 13.309 29.270 21.299 575 HA LEU 112 HA LEU 112 13.567 32.056 22.264 576 HB2 LEU 112 HB2 LEU 112 14.675 29.451 23.318 577 HB3 LEU 112 HB3 LEU 112 15.222 31.033 23.879 578 HG LEU 112 HG LEU 112 12.286 30.373 23.842 579 HD11 LEU 112 HD11 LEU 112 13.415 28.547 25.078 580 HD12 LEU 112 HD12 LEU 112 12.485 29.578 26.163 581 HD13 LEU 112 HD13 LEU 112 14.238 29.744 26.078 582 HD21 LEU 112 HD21 LEU 112 13.863 32.056 25.793 583 HD22 LEU 112 HD22 LEU 112 12.141 32.134 25.423 584 HD23 LEU 112 HD23 LEU 112 13.322 32.708 24.246 585 HA PRO 113 HA PRO 113 17.041 31.568 19.301 586 HB2 PRO 113 HB2 PRO 113 16.850 33.928 18.012 587 HB3 PRO 113 HB3 PRO 113 15.772 32.570 17.633 588 HG2 PRO 113 HG2 PRO 113 15.228 35.041 19.160 589 HG3 PRO 113 HG3 PRO 113 14.150 34.078 18.138 590 HD2 PRO 113 HD2 PRO 113 14.275 33.997 20.956 591 HD3 PRO 113 HD3 PRO 113 13.431 32.839 19.906 592 H LEU 114 H LEU 114 19.052 31.935 20.036 593 HA LEU 114 HA LEU 114 19.684 33.646 22.164 594 HB2 LEU 114 HB2 LEU 114 21.033 31.674 21.455 595 HB3 LEU 114 HB3 LEU 114 21.575 32.592 20.049 596 HG LEU 114 HG LEU 114 22.411 34.366 21.654 597 HD11 LEU 114 HD11 LEU 114 21.500 32.243 23.577 598 HD12 LEU 114 HD12 LEU 114 21.294 33.992 23.675 599 HD13 LEU 114 HD13 LEU 114 22.871 33.271 23.994 600 HD21 LEU 114 HD21 LEU 114 24.321 32.771 22.502 601 HD22 LEU 114 HD22 LEU 114 24.122 33.039 20.770 602 HD23 LEU 114 HD23 LEU 114 23.497 31.567 21.511 603 H LYS 115 H LYS 115 19.894 34.138 18.661 604 HA LYS 115 HA LYS 115 21.135 36.749 18.999 605 HB2 LYS 115 HB2 LYS 115 20.163 35.279 16.538 606 HB3 LYS 115 HB3 LYS 115 20.990 36.837 16.514 607 HG2 LYS 115 HG2 LYS 115 22.919 35.790 17.702 608 HG3 LYS 115 HG3 LYS 115 22.104 34.229 17.589 609 HD2 LYS 115 HD2 LYS 115 22.052 34.482 15.104 610 HD3 LYS 115 HD3 LYS 115 22.990 35.967 15.269 611 HE2 LYS 115 HE2 LYS 115 23.887 33.258 16.291 612 HE3 LYS 115 HE3 LYS 115 24.412 33.972 14.766 613 HZ1 LYS 115 HZ1 LYS 115 26.059 34.642 16.191 614 HZ2 LYS 115 HZ2 LYS 115 25.011 34.814 17.518 615 HZ3 LYS 115 HZ3 LYS 115 25.012 35.974 16.275 616 H LYS 116 H LYS 116 20.036 38.558 19.301 617 HA LYS 116 HA LYS 116 17.221 38.676 19.446 618 HB2 LYS 116 HB2 LYS 116 19.169 40.969 19.115 619 HB3 LYS 116 HB3 LYS 116 17.516 41.083 19.715 620 HG2 LYS 116 HG2 LYS 116 19.722 39.469 21.027 621 HG3 LYS 116 HG3 LYS 116 19.191 41.065 21.557 622 HD2 LYS 116 HD2 LYS 116 16.871 40.116 21.828 623 HD3 LYS 116 HD3 LYS 116 17.549 38.519 21.508 624 HE2 LYS 116 HE2 LYS 116 17.534 38.710 23.876 625 HE3 LYS 116 HE3 LYS 116 19.206 39.014 23.402 626 HZ1 LYS 116 HZ1 LYS 116 17.141 40.975 24.201 627 HZ2 LYS 116 HZ2 LYS 116 18.541 41.443 23.360 628 HZ3 LYS 116 HZ3 LYS 116 18.669 40.716 24.890 629 H LEU 117 H LEU 117 19.465 39.431 16.831 630 HA LEU 117 HA LEU 117 17.156 40.153 15.116 631 HB2 LEU 117 HB2 LEU 117 18.791 42.020 15.717 632 HB3 LEU 117 HB3 LEU 117 19.973 41.158 14.731 633 HG LEU 117 HG LEU 117 18.059 41.147 12.934 634 HD11 LEU 117 HD11 LEU 117 16.582 43.094 13.087 635 HD12 LEU 117 HD12 LEU 117 17.302 43.544 14.633 636 HD13 LEU 117 HD13 LEU 117 16.354 42.063 14.501 637 HD21 LEU 117 HD21 LEU 117 20.202 42.331 12.688 638 HD22 LEU 117 HD22 LEU 117 19.593 43.659 13.678 639 HD23 LEU 117 HD23 LEU 117 18.877 43.337 12.098 640 HA PRO 118 HA PRO 118 19.001 36.308 13.260 641 HB2 PRO 118 HB2 PRO 118 16.331 36.388 11.937 642 HB3 PRO 118 HB3 PRO 118 17.184 35.020 12.678 643 HG2 PRO 118 HG2 PRO 118 15.109 36.179 13.872 644 HG3 PRO 118 HG3 PRO 118 16.489 35.553 14.794 645 HD2 PRO 118 HD2 PRO 118 15.778 38.386 14.169 646 HD3 PRO 118 HD3 PRO 118 16.582 37.712 15.604 647 H PHE 119 H PHE 119 19.605 35.939 11.037 648 HA PHE 119 HA PHE 119 19.115 38.194 9.193 649 HB2 PHE 119 HB2 PHE 119 21.482 38.155 8.544 650 HB3 PHE 119 HB3 PHE 119 21.268 38.602 10.225 651 HD1 PHE 119 HD2 PHE 119 21.741 36.902 12.026 652 HD2 PHE 119 HD1 PHE 119 22.740 36.239 7.902 653 HE1 PHE 119 HE2 PHE 119 23.298 35.091 12.694 654 HE2 PHE 119 HE1 PHE 119 24.295 34.427 8.569 655 HZ PHE 119 HZ PHE 119 24.574 33.854 10.965 656 H GLU 120 H GLU 120 19.223 37.686 6.994 657 HA GLU 120 HA GLU 120 18.955 34.810 6.404 658 HB2 GLU 120 HB2 GLU 120 18.035 37.235 4.852 659 HB3 GLU 120 HB3 GLU 120 17.791 35.560 4.358 660 HG2 GLU 120 HG2 GLU 120 16.777 36.782 6.938 661 HG3 GLU 120 HG3 GLU 120 15.798 36.482 5.510 662 H TYR 121 H TYR 121 21.566 36.413 6.561 663 HA TYR 121 HA TYR 121 22.634 36.858 4.022 664 HB2 TYR 121 HB2 TYR 121 23.726 37.493 6.148 665 HB3 TYR 121 HB3 TYR 121 24.063 35.802 6.464 666 HD1 TYR 121 HD1 TYR 121 24.848 38.691 4.287 667 HD2 TYR 121 HD2 TYR 121 25.881 34.663 5.368 668 HE1 TYR 121 HE1 TYR 121 26.966 38.892 3.013 669 HE2 TYR 121 HE2 TYR 121 27.999 34.865 4.094 670 HH TYR 121 HH TYR 121 28.644 36.723 1.921 671 H SER 122 H SER 122 22.409 33.863 5.900 672 HA SER 122 HA SER 122 23.992 32.226 4.264 673 HB2 SER 122 HB2 SER 122 22.867 30.361 5.318 674 HB3 SER 122 HB3 SER 122 23.135 31.616 6.521 675 HG SER 122 HG SER 122 20.841 30.618 5.595 676 H ALA 123 H ALA 123 20.657 33.295 3.877 677 HA ALA 123 HA ALA 123 19.759 31.417 2.010 678 HB1 ALA 123 HB1 ALA 123 19.084 34.366 2.041 679 HB2 ALA 123 HB2 ALA 123 18.355 33.172 3.116 680 HB3 ALA 123 HB3 ALA 123 18.106 33.059 1.374 681 H LEU 124 H LEU 124 19.753 31.357 -0.235 682 HA LEU 124 HA LEU 124 21.756 33.078 -1.585 683 HB2 LEU 124 HB2 LEU 124 22.530 30.724 -1.223 684 HB3 LEU 124 HB3 LEU 124 21.174 30.177 -2.209 685 HG LEU 124 HG LEU 124 22.021 31.710 -4.042 686 HD11 LEU 124 HD11 LEU 124 24.234 31.978 -2.016 687 HD12 LEU 124 HD12 LEU 124 23.433 33.241 -2.949 688 HD13 LEU 124 HD13 LEU 124 24.572 32.149 -3.739 689 HD21 LEU 124 HD21 LEU 124 22.467 29.407 -4.352 690 HD22 LEU 124 HD22 LEU 124 23.605 29.359 -3.006 691 HD23 LEU 124 HD23 LEU 124 24.051 30.164 -4.510 692 HA PRO 125 HA PRO 125 17.634 33.619 -3.638 693 HB2 PRO 125 HB2 PRO 125 18.241 36.097 -4.716 694 HB3 PRO 125 HB3 PRO 125 17.494 35.844 -3.128 695 HG2 PRO 125 HG2 PRO 125 20.330 36.402 -3.813 696 HG3 PRO 125 HG3 PRO 125 19.354 36.995 -2.456 697 HD2 PRO 125 HD2 PRO 125 21.165 35.013 -2.136 698 HD3 PRO 125 HD3 PRO 125 19.652 35.060 -1.205 699 H LEU 126 H LEU 126 17.427 32.504 -5.468 700 HA LEU 126 HA LEU 126 19.496 31.951 -7.283 701 HB2 LEU 126 HB2 LEU 126 16.509 31.830 -7.758 702 HB3 LEU 126 HB3 LEU 126 17.744 31.013 -8.715 703 HG LEU 126 HG LEU 126 17.280 30.559 -5.751 704 HD11 LEU 126 HD11 LEU 126 16.446 28.994 -8.208 705 HD12 LEU 126 HD12 LEU 126 15.399 29.661 -6.953 706 HD13 LEU 126 HD13 LEU 126 16.465 28.305 -6.584 707 HD21 LEU 126 HD21 LEU 126 19.550 30.044 -6.241 708 HD22 LEU 126 HD22 LEU 126 19.139 29.361 -7.815 709 HD23 LEU 126 HD23 LEU 126 18.714 28.494 -6.338 710 H LEU 127 H LEU 127 17.078 34.522 -7.264 711 HA LEU 127 HA LEU 127 17.642 35.330 -9.981 712 HB2 LEU 127 HB2 LEU 127 16.126 36.790 -7.804 713 HB3 LEU 127 HB3 LEU 127 16.117 37.182 -9.523 714 HG LEU 127 HG LEU 127 15.181 34.546 -8.350 715 HD11 LEU 127 HD11 LEU 127 13.732 37.051 -9.211 716 HD12 LEU 127 HD12 LEU 127 13.557 36.145 -7.708 717 HD13 LEU 127 HD13 LEU 127 12.930 35.480 -9.216 718 HD21 LEU 127 HD21 LEU 127 15.218 35.711 -11.146 719 HD22 LEU 127 HD22 LEU 127 14.182 34.355 -10.698 720 HD23 LEU 127 HD23 LEU 127 15.935 34.196 -10.598 721 H GLY 128 H GLY 128 18.941 36.951 -10.674 722 HA2 GLY 128 HA2 GLY 128 20.217 38.734 -8.729 723 HA3 GLY 128 HA3 GLY 128 21.272 37.695 -9.685 724 H SER 129 H SER 129 21.589 40.392 -9.888 725 HA SER 129 HA SER 129 20.780 40.853 -12.675 726 HB2 SER 129 HB2 SER 129 20.080 43.127 -12.228 727 HB3 SER 129 HB3 SER 129 19.155 42.043 -11.194 728 HG SER 129 HG SER 129 20.684 44.011 -10.467 729 H ALA 130 H ALA 130 22.127 42.394 -13.778 730 HA ALA 130 HA ALA 130 24.567 43.257 -12.414 731 HB1 ALA 130 HB1 ALA 130 24.501 41.291 -14.700 732 HB2 ALA 130 HB2 ALA 130 25.316 41.131 -13.145 733 HB3 ALA 130 HB3 ALA 130 25.922 42.274 -14.345 734 HA PRO 131 HA PRO 131 22.801 46.518 -15.245 735 HB2 PRO 131 HB2 PRO 131 24.935 47.983 -13.741 736 HB3 PRO 131 HB3 PRO 131 23.297 48.512 -14.178 737 HG2 PRO 131 HG2 PRO 131 23.888 47.730 -11.707 738 HG3 PRO 131 HG3 PRO 131 22.317 47.377 -12.447 739 HD2 PRO 131 HD2 PRO 131 24.571 45.530 -11.874 740 HD3 PRO 131 HD3 PRO 131 22.834 45.185 -12.012 741 H LEU 132 H LEU 132 26.279 46.527 -14.387 742 HA LEU 132 HA LEU 132 26.942 46.848 -17.233 743 HB2 LEU 132 HB2 LEU 132 28.733 47.014 -14.796 744 HB3 LEU 132 HB3 LEU 132 29.187 47.415 -16.451 745 HG LEU 132 HG LEU 132 26.991 48.798 -14.881 746 HD11 LEU 132 HD11 LEU 132 29.887 49.463 -15.404 747 HD12 LEU 132 HD12 LEU 132 29.010 49.495 -13.873 748 HD13 LEU 132 HD13 LEU 132 28.704 50.733 -15.091 749 HD21 LEU 132 HD21 LEU 132 28.121 49.084 -17.658 750 HD22 LEU 132 HD22 LEU 132 27.441 50.488 -16.836 751 HD23 LEU 132 HD23 LEU 132 26.434 49.073 -17.145 752 H VAL 133 H VAL 133 27.899 45.281 -18.407 753 HA VAL 133 HA VAL 133 28.777 42.821 -17.004 754 HB VAL 133 HB VAL 133 27.338 42.958 -19.668 755 HG11 VAL 133 HG11 VAL 133 28.708 41.041 -19.724 756 HG12 VAL 133 HG12 VAL 133 27.174 40.423 -19.114 757 HG13 VAL 133 HG13 VAL 133 28.506 40.734 -18.000 758 HG21 VAL 133 HG21 VAL 133 25.464 41.899 -18.460 759 HG22 VAL 133 HG22 VAL 133 25.841 43.475 -17.765 760 HG23 VAL 133 HG23 VAL 133 26.373 42.002 -16.952 761 H ALA 134 H ALA 134 30.753 42.110 -17.529 762 HA ALA 134 HA ALA 134 32.499 43.638 -19.150 763 HB1 ALA 134 HB1 ALA 134 33.973 41.537 -18.929 764 HB2 ALA 134 HB2 ALA 134 32.681 40.899 -17.911 765 HB3 ALA 134 HB3 ALA 134 33.523 42.378 -17.445 766 H ALA 135 H ALA 135 30.627 40.701 -19.770 767 HA ALA 135 HA ALA 135 31.791 39.993 -22.233 768 HB1 ALA 135 HB1 ALA 135 30.135 38.676 -20.752 769 HB2 ALA 135 HB2 ALA 135 29.983 38.522 -22.502 770 HB3 ALA 135 HB3 ALA 135 28.879 39.568 -21.610 771 H GLY 136 H GLY 136 29.275 42.338 -21.438 772 HA2 GLY 136 HA2 GLY 136 28.390 44.053 -22.707 773 HA3 GLY 136 HA3 GLY 136 29.573 43.672 -23.955 774 H GLY 137 H GLY 137 28.675 43.100 -25.826 775 HA2 GLY 137 HA2 GLY 137 25.963 42.559 -26.227 776 HA3 GLY 137 HA3 GLY 137 27.246 42.158 -27.366 777 H VAL 138 H VAL 138 24.736 40.751 -26.177 778 HA VAL 138 HA VAL 138 26.082 38.177 -25.568 779 HB VAL 138 HB VAL 138 23.390 39.122 -24.545 780 HG11 VAL 138 HG11 VAL 138 23.624 37.105 -23.077 781 HG12 VAL 138 HG12 VAL 138 25.061 36.651 -23.995 782 HG13 VAL 138 HG13 VAL 138 23.487 36.702 -24.789 783 HG21 VAL 138 HG21 VAL 138 24.557 39.174 -22.336 784 HG22 VAL 138 HG22 VAL 138 25.193 40.369 -23.466 785 HG23 VAL 138 HG23 VAL 138 26.084 38.877 -23.167 786 H ALA 139 H ALA 139 25.585 36.505 -26.844 787 HA ALA 139 HA ALA 139 23.469 36.877 -28.866 788 HB1 ALA 139 HB1 ALA 139 25.802 34.949 -28.765 789 HB2 ALA 139 HB2 ALA 139 25.684 36.393 -29.771 790 HB3 ALA 139 HB3 ALA 139 24.608 35.027 -30.061 791 H GLY 140 H GLY 140 21.643 35.735 -28.742 792 HA2 GLY 140 HA2 GLY 140 21.001 34.097 -26.550 793 HA3 GLY 140 HA3 GLY 140 20.079 34.196 -28.046 794 H HIS 141 H HIS 141 22.132 33.292 -29.808 795 HA HIS 141 HA HIS 141 22.357 30.452 -28.976 796 HB2 HIS 141 HB2 HIS 141 21.967 31.598 -31.743 797 HB3 HIS 141 HB3 HIS 141 22.187 29.900 -31.368 798 HD1 HIS 141 HD1 HIS 141 20.238 28.916 -29.662 799 HD2 HIS 141 HD2 HIS 141 19.332 32.373 -31.810 800 HE1 HIS 141 HE1 HIS 141 17.717 29.141 -29.627 801 H THR 142 H THR 142 24.336 29.593 -28.957 802 HA THR 142 HA THR 142 26.665 31.124 -29.359 803 HB THR 142 HB THR 142 26.423 28.107 -29.410 804 HG1 THR 142 HG1 THR 142 26.528 29.950 -27.346 805 HG21 THR 142 HG21 THR 142 28.735 28.143 -28.675 806 HG22 THR 142 HG22 THR 142 28.718 29.904 -28.583 807 HG23 THR 142 HG23 THR 142 28.602 29.101 -30.149 808 H ASN 143 H ASN 143 24.977 28.820 -31.455 809 HA ASN 143 HA ASN 143 26.851 29.476 -33.647 810 HB2 ASN 143 HB2 ASN 143 24.948 27.150 -33.301 811 HB3 ASN 143 HB3 ASN 143 25.937 27.434 -34.730 812 HD21 ASN 143 HD21 ASN 143 26.182 25.090 -33.009 813 HD22 ASN 143 HD22 ASN 143 27.734 25.137 -32.321 814 H GLY 144 H GLY 144 26.158 30.748 -35.238 815 HA2 GLY 144 HA2 GLY 144 23.642 31.971 -35.310 816 HA3 GLY 144 HA3 GLY 144 24.772 31.912 -36.659 817 H SER 145 H SER 145 24.837 29.072 -36.960 818 HA SER 145 HA SER 145 22.517 28.701 -38.588 819 HB2 SER 145 HB2 SER 145 23.471 26.588 -39.165 820 HB3 SER 145 HB3 SER 145 24.818 27.708 -38.989 821 HG SER 145 HG SER 145 25.317 26.738 -37.143 822 H GLY 146 H GLY 146 21.036 26.843 -38.382 823 HA2 GLY 146 HA2 GLY 146 19.618 25.439 -37.204 824 HA3 GLY 146 HA3 GLY 146 20.680 25.598 -35.808 825 H SER 147 H SER 147 19.094 28.207 -37.612 826 HA SER 147 HA SER 147 17.710 28.984 -35.112 827 HB2 SER 147 HB2 SER 147 17.725 31.265 -36.005 828 HB3 SER 147 HB3 SER 147 19.360 30.616 -35.928 829 HG SER 147 HG SER 147 19.381 30.986 -37.978 830 H GLU 148 H GLU 148 15.558 29.232 -35.088 831 HA GLU 148 HA GLU 148 13.972 28.125 -37.174 832 HB2 GLU 148 HB2 GLU 148 13.199 29.746 -34.740 833 HB3 GLU 148 HB3 GLU 148 12.058 28.903 -35.789 834 HG2 GLU 148 HG2 GLU 148 13.251 26.769 -35.325 835 HG3 GLU 148 HG3 GLU 148 14.313 27.627 -34.216 836 H ASN 149 H ASN 149 14.861 31.424 -36.310 837 HA ASN 149 HA ASN 149 12.851 32.616 -38.000 838 HB2 ASN 149 HB2 ASN 149 13.830 34.729 -37.348 839 HB3 ASN 149 HB3 ASN 149 13.653 33.698 -35.933 840 HD21 ASN 149 HD21 ASN 149 15.533 35.851 -35.967 841 HD22 ASN 149 HD22 ASN 149 17.098 35.195 -35.936 842 H LEU 150 H LEU 150 15.414 30.929 -39.008 843 HA LEU 150 HA LEU 150 16.192 32.843 -41.116 844 HB2 LEU 150 HB2 LEU 150 18.011 31.748 -39.810 845 HB3 LEU 150 HB3 LEU 150 17.450 30.183 -40.401 846 HG LEU 150 HG LEU 150 17.743 31.093 -42.756 847 HD11 LEU 150 HD11 LEU 150 18.996 33.320 -41.143 848 HD12 LEU 150 HD12 LEU 150 17.778 33.446 -42.412 849 HD13 LEU 150 HD13 LEU 150 19.440 33.022 -42.823 850 HD21 LEU 150 HD21 LEU 150 19.394 29.610 -41.530 851 HD22 LEU 150 HD22 LEU 150 20.275 31.073 -41.089 852 HD23 LEU 150 HD23 LEU 150 20.109 30.620 -42.786 853 H TYR 151 H TYR 151 15.523 32.564 -43.156 854 HA TYR 151 HA TYR 151 13.989 30.116 -43.788 855 HB2 TYR 151 HB2 TYR 151 12.778 32.269 -43.935 856 HB3 TYR 151 HB3 TYR 151 13.943 32.826 -45.122 857 HD1 TYR 151 HD1 TYR 151 11.193 30.439 -44.466 858 HD2 TYR 151 HD2 TYR 151 13.839 32.095 -47.417 859 HE1 TYR 151 HE1 TYR 151 9.824 29.420 -46.265 860 HE2 TYR 151 HE2 TYR 151 12.470 31.077 -49.216 861 HH TYR 151 HH TYR 151 10.786 28.968 -49.247 862 H PHE 152 H PHE 152 14.673 28.775 -45.346 863 HA PHE 152 HA PHE 152 16.496 29.694 -47.418 864 HB2 PHE 152 HB2 PHE 152 18.222 28.072 -46.935 865 HB3 PHE 152 HB3 PHE 152 17.993 29.126 -45.553 866 HD1 PHE 152 HD2 PHE 152 16.803 28.277 -43.522 867 HD2 PHE 152 HD1 PHE 152 17.828 25.719 -46.817 868 HE1 PHE 152 HE2 PHE 152 16.470 26.287 -42.081 869 HE2 PHE 152 HE1 PHE 152 17.495 23.729 -45.375 870 HZ PHE 152 HZ PHE 152 16.817 24.013 -43.007 871 H GLN 153 H GLN 153 14.700 27.031 -45.935 872 HA GLN 153 HA GLN 153 14.844 25.160 -48.003 873 HB2 GLN 153 HB2 GLN 153 12.570 25.739 -46.089 874 HB3 GLN 153 HB3 GLN 153 12.688 24.298 -47.100 875 HG2 GLN 153 HG2 GLN 153 14.793 23.675 -46.023 876 HG3 GLN 153 HG3 GLN 153 14.760 25.150 -45.059 877 HE21 GLN 153 HE21 GLN 153 14.819 22.561 -43.834 878 HE22 GLN 153 HE22 GLN 153 13.341 22.318 -43.035 Start of MODEL 22 1 H1 MET 39 HT1 MET 39 61.583 14.205 17.358 2 H2 MET 39 HT2 MET 39 59.979 13.787 16.985 3 H3 MET 39 HT3 MET 39 61.053 14.234 15.747 4 HA MET 39 HA MET 39 62.451 12.250 16.530 5 HB2 MET 39 HB2 MET 39 59.705 11.602 17.645 6 HB3 MET 39 HB3 MET 39 61.036 10.452 17.504 7 HG2 MET 39 HG2 MET 39 62.426 11.996 18.925 8 HG3 MET 39 HG3 MET 39 60.982 12.974 19.182 9 HE1 MET 39 HE1 MET 39 62.338 9.057 20.749 10 HE2 MET 39 HE2 MET 39 62.671 9.808 19.190 11 HE3 MET 39 HE3 MET 39 61.304 8.710 19.357 12 H ASN 40 H ASN 40 61.863 10.079 15.425 13 HA ASN 40 HA ASN 40 60.469 10.724 12.906 14 HB2 ASN 40 HB2 ASN 40 62.513 8.592 13.566 15 HB3 ASN 40 HB3 ASN 40 61.734 8.782 11.997 16 HD21 ASN 40 HD21 ASN 40 64.605 9.059 12.443 17 HD22 ASN 40 HD22 ASN 40 65.014 10.664 12.075 18 H GLY 41 H GLY 41 58.978 9.271 12.009 19 HA2 GLY 41 HA2 GLY 41 57.692 7.258 12.012 20 HA3 GLY 41 HA3 GLY 41 58.066 7.053 13.714 21 H GLU 42 H GLU 42 57.322 10.177 13.762 22 HA GLU 42 HA GLU 42 54.761 9.857 14.882 23 HB2 GLU 42 HB2 GLU 42 56.095 12.327 13.756 24 HB3 GLU 42 HB3 GLU 42 54.631 12.334 14.740 25 HG2 GLU 42 HG2 GLU 42 55.881 11.179 16.555 26 HG3 GLU 42 HG3 GLU 42 57.342 11.273 15.582 27 H ASN 43 H ASN 43 55.780 10.590 11.584 28 HA ASN 43 HA ASN 43 53.407 11.555 10.507 29 HB2 ASN 43 HB2 ASN 43 55.491 9.773 9.233 30 HB3 ASN 43 HB3 ASN 43 54.237 10.638 8.349 31 HD21 ASN 43 HD21 ASN 43 57.109 11.100 8.028 32 HD22 ASN 43 HD22 ASN 43 57.410 12.700 8.512 33 H TYR 44 H TYR 44 54.343 8.221 11.214 34 HA TYR 44 HA TYR 44 51.822 7.246 10.056 35 HB2 TYR 44 HB2 TYR 44 53.915 6.086 9.463 36 HB3 TYR 44 HB3 TYR 44 54.197 5.738 11.158 37 HD1 TYR 44 HD1 TYR 44 52.129 4.961 8.203 38 HD2 TYR 44 HD2 TYR 44 52.959 3.994 12.305 39 HE1 TYR 44 HE1 TYR 44 50.813 2.871 7.978 40 HE2 TYR 44 HE2 TYR 44 51.642 1.905 12.080 41 HH TYR 44 HH TYR 44 49.749 1.111 10.500 42 H PHE 45 H PHE 45 50.114 6.945 11.331 43 HA PHE 45 HA PHE 45 50.403 5.794 13.967 44 HB2 PHE 45 HB2 PHE 45 49.361 7.602 15.190 45 HB3 PHE 45 HB3 PHE 45 50.835 8.164 14.422 46 HD1 PHE 45 HD2 PHE 45 50.721 9.656 12.436 47 HD2 PHE 45 HD1 PHE 45 47.203 8.471 14.597 48 HE1 PHE 45 HE2 PHE 45 49.442 11.489 11.361 49 HE2 PHE 45 HE1 PHE 45 45.924 10.304 13.522 50 HZ PHE 45 HZ PHE 45 47.044 11.813 11.904 51 H LYS 46 H LYS 46 48.958 5.295 11.357 52 HA LYS 46 HA LYS 46 46.196 5.736 11.668 53 HB2 LYS 46 HB2 LYS 46 47.619 3.483 10.234 54 HB3 LYS 46 HB3 LYS 46 45.919 3.909 10.034 55 HG2 LYS 46 HG2 LYS 46 46.690 6.242 9.395 56 HG3 LYS 46 HG3 LYS 46 48.332 5.600 9.341 57 HD2 LYS 46 HD2 LYS 46 46.006 4.499 7.737 58 HD3 LYS 46 HD3 LYS 46 47.224 5.605 7.102 59 HE2 LYS 46 HE2 LYS 46 48.128 3.559 6.473 60 HE3 LYS 46 HE3 LYS 46 48.908 3.796 8.036 61 HZ1 LYS 46 HZ1 LYS 46 46.336 2.557 8.257 62 HZ2 LYS 46 HZ2 LYS 46 47.833 2.071 8.899 63 HZ3 LYS 46 HZ3 LYS 46 47.409 1.645 7.310 64 H LEU 47 H LEU 47 48.293 3.138 12.834 65 HA LEU 47 HA LEU 47 46.334 1.324 13.673 66 HB2 LEU 47 HB2 LEU 47 48.784 0.870 13.597 67 HB3 LEU 47 HB3 LEU 47 48.983 1.886 15.025 68 HG LEU 47 HG LEU 47 47.295 0.386 16.192 69 HD11 LEU 47 HD11 LEU 47 46.177 -0.732 14.449 70 HD12 LEU 47 HD12 LEU 47 47.272 -1.965 15.071 71 HD13 LEU 47 HD13 LEU 47 47.676 -1.092 13.594 72 HD21 LEU 47 HD21 LEU 47 49.866 -0.875 15.182 73 HD22 LEU 47 HD22 LEU 47 48.962 -1.401 16.601 74 HD23 LEU 47 HD23 LEU 47 49.722 0.190 16.581 75 H GLY 48 H GLY 48 47.666 4.176 15.295 76 HA2 GLY 48 HA2 GLY 48 46.352 3.695 17.795 77 HA3 GLY 48 HA3 GLY 48 47.111 5.201 17.289 78 H SER 49 H SER 49 44.436 4.459 18.564 79 HA SER 49 HA SER 49 42.859 6.322 16.947 80 HB2 SER 49 HB2 SER 49 40.912 4.894 16.892 81 HB3 SER 49 HB3 SER 49 42.265 4.004 16.200 82 HG SER 49 HG SER 49 42.070 2.675 17.798 83 H ASP 50 H ASP 50 40.958 7.133 18.136 84 HA ASP 50 HA ASP 50 41.041 6.712 21.038 85 HB2 ASP 50 HB2 ASP 50 42.548 8.646 20.441 86 HB3 ASP 50 HB3 ASP 50 41.125 9.482 19.832 87 H SER 51 H SER 51 39.025 5.731 20.871 88 HA SER 51 HA SER 51 36.801 6.721 19.475 89 HB2 SER 51 HB2 SER 51 36.993 4.425 20.410 90 HB3 SER 51 HB3 SER 51 36.793 5.096 22.025 91 HG SER 51 HG SER 51 34.975 4.807 20.003 92 H LYS 52 H LYS 52 38.077 7.573 22.641 93 HA LYS 52 HA LYS 52 35.828 8.682 23.839 94 HB2 LYS 52 HB2 LYS 52 38.716 9.563 24.020 95 HB3 LYS 52 HB3 LYS 52 37.437 10.092 25.112 96 HG2 LYS 52 HG2 LYS 52 36.995 7.708 25.696 97 HG3 LYS 52 HG3 LYS 52 38.364 7.238 24.688 98 HD2 LYS 52 HD2 LYS 52 39.837 8.700 26.080 99 HD3 LYS 52 HD3 LYS 52 38.463 9.022 27.137 100 HE2 LYS 52 HE2 LYS 52 38.254 6.505 27.437 101 HE3 LYS 52 HE3 LYS 52 39.816 6.364 26.632 102 HZ1 LYS 52 HZ1 LYS 52 39.194 7.724 29.185 103 HZ2 LYS 52 HZ2 LYS 52 40.637 8.010 28.338 104 HZ3 LYS 52 HZ3 LYS 52 40.282 6.452 28.913 105 H LEU 53 H LEU 53 37.949 10.070 21.378 106 HA LEU 53 HA LEU 53 36.600 12.655 21.557 107 HB2 LEU 53 HB2 LEU 53 38.793 11.714 19.693 108 HB3 LEU 53 HB3 LEU 53 38.216 13.372 19.858 109 HG LEU 53 HG LEU 53 39.404 11.748 22.124 110 HD11 LEU 53 HD11 LEU 53 41.042 12.299 20.308 111 HD12 LEU 53 HD12 LEU 53 41.405 13.106 21.834 112 HD13 LEU 53 HD13 LEU 53 40.644 14.004 20.521 113 HD21 LEU 53 HD21 LEU 53 38.443 14.596 21.816 114 HD22 LEU 53 HD22 LEU 53 39.587 14.140 23.079 115 HD23 LEU 53 HD23 LEU 53 37.981 13.413 23.040 116 H LEU 54 H LEU 54 35.080 13.373 20.194 117 HA LEU 54 HA LEU 54 34.206 11.570 18.023 118 HB2 LEU 54 HB2 LEU 54 32.578 12.207 19.853 119 HB3 LEU 54 HB3 LEU 54 32.669 13.865 19.257 120 HG LEU 54 HG LEU 54 32.083 12.882 16.950 121 HD11 LEU 54 HD11 LEU 54 30.679 10.746 17.239 122 HD12 LEU 54 HD12 LEU 54 31.504 10.554 18.786 123 HD13 LEU 54 HD13 LEU 54 32.431 10.555 17.287 124 HD21 LEU 54 HD21 LEU 54 30.502 14.199 18.308 125 HD22 LEU 54 HD22 LEU 54 30.060 12.750 19.210 126 HD23 LEU 54 HD23 LEU 54 29.665 12.876 17.496 127 H THR 55 H THR 55 34.217 12.254 15.934 128 HA THR 55 HA THR 55 35.560 14.811 15.429 129 HB THR 55 HB THR 55 35.950 13.923 13.177 130 HG1 THR 55 HG1 THR 55 35.267 11.745 12.883 131 HG21 THR 55 HG21 THR 55 37.383 12.012 13.839 132 HG22 THR 55 HG22 THR 55 36.576 11.967 15.406 133 HG23 THR 55 HG23 THR 55 37.547 13.369 14.954 134 H HIS 56 H HIS 56 32.570 14.533 16.042 135 HA HIS 56 HA HIS 56 31.663 16.085 13.693 136 HB2 HIS 56 HB2 HIS 56 30.717 13.788 13.646 137 HB3 HIS 56 HB3 HIS 56 30.005 14.078 15.222 138 HD1 HIS 56 HD1 HIS 56 29.959 15.781 11.800 139 HD2 HIS 56 HD2 HIS 56 27.404 14.941 14.985 140 HE1 HIS 56 HE1 HIS 56 27.676 16.651 11.135 141 H ASN 57 H ASN 57 30.967 18.036 14.237 142 HA ASN 57 HA ASN 57 30.159 18.538 17.042 143 HB2 ASN 57 HB2 ASN 57 32.198 19.738 16.090 144 HB3 ASN 57 HB3 ASN 57 31.077 20.606 15.046 145 HD21 ASN 57 HD21 ASN 57 31.698 22.619 16.226 146 HD22 ASN 57 HD22 ASN 57 31.032 22.934 17.754 147 H SER 58 H SER 58 28.102 19.070 17.406 148 HA SER 58 HA SER 58 26.423 19.893 15.105 149 HB2 SER 58 HB2 SER 58 25.822 17.712 16.140 150 HB3 SER 58 HB3 SER 58 25.573 18.538 17.674 151 HG SER 58 HG SER 58 23.885 18.293 15.730 152 H TYR 59 H TYR 59 25.257 21.738 15.234 153 HA TYR 59 HA TYR 59 25.161 23.172 17.813 154 HB2 TYR 59 HB2 TYR 59 27.028 24.059 16.444 155 HB3 TYR 59 HB3 TYR 59 25.889 24.415 15.158 156 HD1 TYR 59 HD1 TYR 59 26.963 25.302 18.584 157 HD2 TYR 59 HD2 TYR 59 24.440 26.339 15.268 158 HE1 TYR 59 HE1 TYR 59 26.509 27.509 19.620 159 HE2 TYR 59 HE2 TYR 59 23.986 28.547 16.303 160 HH TYR 59 HH TYR 59 24.192 29.712 18.267 161 H GLN 60 H GLN 60 23.254 24.146 18.234 162 HA GLN 60 HA GLN 60 21.187 24.083 16.118 163 HB2 GLN 60 HB2 GLN 60 20.847 24.233 19.123 164 HB3 GLN 60 HB3 GLN 60 19.555 24.092 17.934 165 HG2 GLN 60 HG2 GLN 60 21.745 22.052 18.420 166 HG3 GLN 60 HG3 GLN 60 20.066 21.900 18.928 167 HE21 GLN 60 HE21 GLN 60 21.936 20.493 16.775 168 HE22 GLN 60 HE22 GLN 60 20.913 20.405 15.424 169 H ASN 61 H ASN 61 20.486 25.951 15.321 170 HA ASN 61 HA ASN 61 21.640 28.425 15.989 171 HB2 ASN 61 HB2 ASN 61 20.520 27.765 13.807 172 HB3 ASN 61 HB3 ASN 61 18.980 28.065 14.610 173 HD21 ASN 61 HD21 ASN 61 18.601 29.896 13.108 174 HD22 ASN 61 HD22 ASN 61 19.412 31.369 13.340 175 H ARG 62 H ARG 62 18.619 26.911 17.025 176 HA ARG 62 HA ARG 62 18.354 28.907 19.136 177 HB2 ARG 62 HB2 ARG 62 16.065 29.493 18.525 178 HB3 ARG 62 HB3 ARG 62 17.167 29.885 17.207 179 HG2 ARG 62 HG2 ARG 62 16.578 27.635 16.187 180 HG3 ARG 62 HG3 ARG 62 15.304 27.506 17.401 181 HD2 ARG 62 HD2 ARG 62 14.395 29.698 16.602 182 HD3 ARG 62 HD3 ARG 62 15.599 29.688 15.320 183 HE ARG 62 HE ARG 62 13.226 28.000 15.504 184 HH11 ARG 62 HH11 ARG 62 16.276 28.585 13.865 185 HH12 ARG 62 HH12 ARG 62 15.816 27.668 12.470 186 HH21 ARG 62 HH21 ARG 62 12.691 26.834 13.681 187 HH22 ARG 62 HH22 ARG 62 13.812 26.690 12.367 188 H LEU 63 H LEU 63 16.628 28.330 20.705 189 HA LEU 63 HA LEU 63 16.483 25.383 20.939 190 HB2 LEU 63 HB2 LEU 63 16.422 27.539 23.062 191 HB3 LEU 63 HB3 LEU 63 16.214 25.816 23.373 192 HG LEU 63 HG LEU 63 18.480 25.608 22.034 193 HD11 LEU 63 HD11 LEU 63 18.923 27.789 21.318 194 HD12 LEU 63 HD12 LEU 63 19.879 27.698 22.798 195 HD13 LEU 63 HD13 LEU 63 18.312 28.508 22.807 196 HD21 LEU 63 HD21 LEU 63 18.260 24.942 24.359 197 HD22 LEU 63 HD22 LEU 63 18.243 26.626 24.883 198 HD23 LEU 63 HD23 LEU 63 19.714 25.928 24.205 199 H PHE 64 H PHE 64 14.562 24.391 21.035 200 HA PHE 64 HA PHE 64 12.137 26.041 20.951 201 HB2 PHE 64 HB2 PHE 64 12.604 23.112 20.395 202 HB3 PHE 64 HB3 PHE 64 11.034 23.891 20.329 203 HD1 PHE 64 HD2 PHE 64 10.541 25.571 18.569 204 HD2 PHE 64 HD1 PHE 64 14.239 23.388 18.654 205 HE1 PHE 64 HE2 PHE 64 10.977 26.219 16.215 206 HE2 PHE 64 HE1 PHE 64 14.676 24.036 16.300 207 HZ PHE 64 HZ PHE 64 13.045 25.452 15.081 208 H TYR 65 H TYR 65 10.744 26.178 22.610 209 HA TYR 65 HA TYR 65 10.916 24.163 24.779 210 HB2 TYR 65 HB2 TYR 65 11.699 26.472 25.400 211 HB3 TYR 65 HB3 TYR 65 10.082 27.054 25.051 212 HD1 TYR 65 HD2 TYR 65 12.115 24.923 27.289 213 HD2 TYR 65 HD1 TYR 65 8.263 26.693 26.594 214 HE1 TYR 65 HE2 TYR 65 11.430 24.336 29.598 215 HE2 TYR 65 HE1 TYR 65 7.577 26.105 28.905 216 HH TYR 65 HH TYR 65 8.251 25.166 30.828 217 H THR 66 H THR 66 8.948 23.382 25.587 218 HA THR 66 HA THR 66 6.611 23.975 23.857 219 HB THR 66 HB THR 66 7.206 21.442 25.405 220 HG1 THR 66 HG1 THR 66 8.575 21.417 23.775 221 HG21 THR 66 HG21 THR 66 4.906 21.427 25.079 222 HG22 THR 66 HG22 THR 66 5.457 20.670 23.584 223 HG23 THR 66 HG23 THR 66 5.005 22.375 23.595 224 H LEU 67 H LEU 67 4.654 24.392 24.747 225 HA LEU 67 HA LEU 67 4.571 25.128 27.554 226 HB2 LEU 67 HB2 LEU 67 2.583 25.334 25.285 227 HB3 LEU 67 HB3 LEU 67 2.229 25.867 26.925 228 HG LEU 67 HG LEU 67 4.610 26.850 25.331 229 HD11 LEU 67 HD11 LEU 67 3.104 28.989 25.291 230 HD12 LEU 67 HD12 LEU 67 1.779 27.852 25.538 231 HD13 LEU 67 HD13 LEU 67 2.802 27.715 24.109 232 HD21 LEU 67 HD21 LEU 67 4.227 28.755 27.108 233 HD22 LEU 67 HD22 LEU 67 5.060 27.277 27.588 234 HD23 LEU 67 HD23 LEU 67 3.356 27.498 27.986 235 H LYS 68 H LYS 68 3.784 23.903 29.142 236 HA LYS 68 HA LYS 68 2.105 21.560 28.444 237 HB2 LYS 68 HB2 LYS 68 4.209 21.812 30.606 238 HB3 LYS 68 HB3 LYS 68 3.134 20.429 30.400 239 HG2 LYS 68 HG2 LYS 68 4.020 20.130 28.088 240 HG3 LYS 68 HG3 LYS 68 5.163 21.440 28.388 241 HD2 LYS 68 HD2 LYS 68 6.060 20.156 30.335 242 HD3 LYS 68 HD3 LYS 68 4.993 18.819 29.902 243 HE2 LYS 68 HE2 LYS 68 6.122 18.428 27.858 244 HE3 LYS 68 HE3 LYS 68 6.925 19.997 27.906 245 HZ1 LYS 68 HZ1 LYS 68 8.579 18.599 28.616 246 HZ2 LYS 68 HZ2 LYS 68 7.516 17.560 29.438 247 HZ3 LYS 68 HZ3 LYS 68 7.910 19.075 30.101 248 H THR 69 H THR 69 0.465 20.992 29.918 249 HA THR 69 HA THR 69 -1.006 23.092 31.005 250 HB THR 69 HB THR 69 -2.007 20.927 30.483 251 HG1 THR 69 HG1 THR 69 -3.331 21.508 31.959 252 HG21 THR 69 HG21 THR 69 -0.071 19.540 31.197 253 HG22 THR 69 HG22 THR 69 -1.590 18.973 31.891 254 HG23 THR 69 HG23 THR 69 -0.460 19.899 32.879 255 H GLY 70 H GLY 70 -1.112 24.090 32.937 256 HA2 GLY 70 HA2 GLY 70 -0.816 24.152 35.326 257 HA3 GLY 70 HA3 GLY 70 0.571 23.089 35.147 258 H GLU 71 H GLU 71 1.498 24.795 32.772 259 HA GLU 71 HA GLU 71 2.759 26.902 34.412 260 HB2 GLU 71 HB2 GLU 71 4.230 25.216 33.278 261 HB3 GLU 71 HB3 GLU 71 3.647 25.825 31.728 262 HG2 GLU 71 HG2 GLU 71 4.426 28.103 32.370 263 HG3 GLU 71 HG3 GLU 71 5.085 27.434 33.856 264 H THR 72 H THR 72 2.768 29.024 33.750 265 HA THR 72 HA THR 72 0.985 29.706 31.483 266 HB THR 72 HB THR 72 0.509 31.796 32.635 267 HG1 THR 72 HG1 THR 72 1.409 32.054 34.698 268 HG21 THR 72 HG21 THR 72 -0.644 30.883 34.644 269 HG22 THR 72 HG22 THR 72 0.240 29.372 34.434 270 HG23 THR 72 HG23 THR 72 -0.912 29.898 33.206 271 H VAL 73 H VAL 73 1.548 31.758 30.371 272 HA VAL 73 HA VAL 73 4.152 31.641 29.346 273 HB VAL 73 HB VAL 73 2.245 33.995 29.302 274 HG11 VAL 73 HG11 VAL 73 3.471 34.439 27.114 275 HG12 VAL 73 HG12 VAL 73 4.669 33.259 27.645 276 HG13 VAL 73 HG13 VAL 73 4.408 34.732 28.579 277 HG21 VAL 73 HG21 VAL 73 1.714 33.005 27.003 278 HG22 VAL 73 HG22 VAL 73 1.092 32.110 28.389 279 HG23 VAL 73 HG23 VAL 73 2.537 31.544 27.550 280 H ALA 74 H ALA 74 2.741 33.824 31.779 281 HA ALA 74 HA ALA 74 5.014 35.458 32.112 282 HB1 ALA 74 HB1 ALA 74 3.176 36.424 33.089 283 HB2 ALA 74 HB2 ALA 74 3.891 35.688 34.522 284 HB3 ALA 74 HB3 ALA 74 2.552 34.891 33.694 285 H ASP 75 H ASP 75 4.061 32.410 33.658 286 HA ASP 75 HA ASP 75 5.994 32.418 35.710 287 HB2 ASP 75 HB2 ASP 75 4.675 30.111 34.265 288 HB3 ASP 75 HB3 ASP 75 5.660 29.939 35.713 289 H LEU 76 H LEU 76 6.085 31.077 32.418 290 HA LEU 76 HA LEU 76 8.640 29.921 32.561 291 HB2 LEU 76 HB2 LEU 76 7.010 29.535 30.720 292 HB3 LEU 76 HB3 LEU 76 7.319 31.169 30.137 293 HG LEU 76 HG LEU 76 9.790 30.506 30.015 294 HD11 LEU 76 HD11 LEU 76 9.702 28.513 31.425 295 HD12 LEU 76 HD12 LEU 76 10.178 28.049 29.793 296 HD13 LEU 76 HD13 LEU 76 8.526 27.769 30.341 297 HD21 LEU 76 HD21 LEU 76 7.752 29.088 28.273 298 HD22 LEU 76 HD22 LEU 76 9.454 29.297 27.859 299 HD23 LEU 76 HD23 LEU 76 8.403 30.706 28.012 300 H SER 77 H SER 77 7.615 33.193 31.661 301 HA SER 77 HA SER 77 10.105 34.178 30.820 302 HB2 SER 77 HB2 SER 77 7.853 35.298 30.553 303 HB3 SER 77 HB3 SER 77 7.966 35.768 32.245 304 HG SER 77 HG SER 77 9.004 37.366 31.339 305 H LYS 78 H LYS 78 8.636 34.080 34.045 306 HA LYS 78 HA LYS 78 10.595 35.616 35.369 307 HB2 LYS 78 HB2 LYS 78 8.360 35.034 36.306 308 HB3 LYS 78 HB3 LYS 78 8.922 33.377 36.530 309 HG2 LYS 78 HG2 LYS 78 10.772 34.230 37.962 310 HG3 LYS 78 HG3 LYS 78 10.119 35.860 37.795 311 HD2 LYS 78 HD2 LYS 78 7.956 35.030 38.754 312 HD3 LYS 78 HD3 LYS 78 8.733 33.475 39.051 313 HE2 LYS 78 HE2 LYS 78 10.153 34.345 40.688 314 HE3 LYS 78 HE3 LYS 78 10.017 35.992 40.072 315 HZ1 LYS 78 HZ1 LYS 78 8.769 35.736 42.110 316 HZ2 LYS 78 HZ2 LYS 78 7.874 34.457 41.439 317 HZ3 LYS 78 HZ3 LYS 78 7.712 36.030 40.816 318 H SER 79 H SER 79 10.299 32.100 34.925 319 HA SER 79 HA SER 79 12.520 31.369 36.494 320 HB2 SER 79 HB2 SER 79 10.752 29.803 35.683 321 HB3 SER 79 HB3 SER 79 11.440 29.922 34.067 322 HG SER 79 HG SER 79 12.859 28.552 34.732 323 H GLN 80 H GLN 80 12.250 32.047 33.023 324 HA GLN 80 HA GLN 80 15.022 31.522 32.501 325 HB2 GLN 80 HB2 GLN 80 12.888 32.870 30.843 326 HB3 GLN 80 HB3 GLN 80 14.504 32.469 30.259 327 HG2 GLN 80 HG2 GLN 80 14.122 30.100 30.718 328 HG3 GLN 80 HG3 GLN 80 12.538 30.464 31.398 329 HE21 GLN 80 HE21 GLN 80 12.824 28.692 29.172 330 HE22 GLN 80 HE22 GLN 80 12.126 29.426 27.811 331 H ASP 81 H ASP 81 13.586 34.167 34.018 332 HA ASP 81 HA ASP 81 14.307 36.292 34.497 333 HB2 ASP 81 HB2 ASP 81 16.382 35.008 35.083 334 HB3 ASP 81 HB3 ASP 81 16.981 35.332 33.457 335 H ILE 82 H ILE 82 13.028 35.938 32.058 336 HA ILE 82 HA ILE 82 14.448 37.835 30.278 337 HB ILE 82 HB ILE 82 12.345 35.782 29.529 338 HG12 ILE 82 HG12 ILE 82 15.318 35.801 28.918 339 HG13 ILE 82 HG13 ILE 82 14.579 34.820 30.184 340 HG21 ILE 82 HG21 ILE 82 12.949 36.399 27.222 341 HG22 ILE 82 HG22 ILE 82 14.095 37.591 27.832 342 HG23 ILE 82 HG23 ILE 82 12.367 37.809 28.107 343 HD11 ILE 82 HD11 ILE 82 13.036 33.898 28.355 344 HD12 ILE 82 HD12 ILE 82 14.721 33.382 28.293 345 HD13 ILE 82 HD13 ILE 82 14.143 34.639 27.199 346 H ASN 83 H ASN 83 13.271 39.572 29.449 347 HA ASN 83 HA ASN 83 10.990 40.390 31.043 348 HB2 ASN 83 HB2 ASN 83 12.426 41.740 28.745 349 HB3 ASN 83 HB3 ASN 83 11.137 42.475 29.696 350 HD21 ASN 83 HD21 ASN 83 13.893 43.470 29.559 351 HD22 ASN 83 HD22 ASN 83 14.531 43.366 31.129 352 H LEU 84 H LEU 84 8.884 40.505 30.390 353 HA LEU 84 HA LEU 84 7.953 38.749 28.426 354 HB2 LEU 84 HB2 LEU 84 6.546 41.180 29.560 355 HB3 LEU 84 HB3 LEU 84 5.769 39.840 28.719 356 HG LEU 84 HG LEU 84 7.378 39.566 31.276 357 HD11 LEU 84 HD11 LEU 84 5.428 40.648 31.980 358 HD12 LEU 84 HD12 LEU 84 4.959 38.952 32.101 359 HD13 LEU 84 HD13 LEU 84 4.445 39.913 30.714 360 HD21 LEU 84 HD21 LEU 84 7.440 37.507 30.040 361 HD22 LEU 84 HD22 LEU 84 5.736 37.642 29.608 362 HD23 LEU 84 HD23 LEU 84 6.198 37.304 31.276 363 H SER 85 H SER 85 8.681 42.207 28.215 364 HA SER 85 HA SER 85 7.508 42.711 25.708 365 HB2 SER 85 HB2 SER 85 8.401 44.453 27.277 366 HB3 SER 85 HB3 SER 85 10.029 43.968 26.815 367 HG SER 85 HG SER 85 9.718 44.934 24.975 368 H THR 86 H THR 86 10.766 41.588 26.579 369 HA THR 86 HA THR 86 11.841 41.588 23.970 370 HB THR 86 HB THR 86 12.569 39.741 26.254 371 HG1 THR 86 HG1 THR 86 13.511 41.413 27.067 372 HG21 THR 86 HG21 THR 86 14.719 39.596 25.169 373 HG22 THR 86 HG22 THR 86 14.257 40.815 23.981 374 HG23 THR 86 HG23 THR 86 13.487 39.228 23.961 375 H ILE 87 H ILE 87 10.136 39.083 25.811 376 HA ILE 87 HA ILE 87 10.536 36.944 24.043 377 HB ILE 87 HB ILE 87 8.132 37.472 25.814 378 HG12 ILE 87 HG12 ILE 87 10.655 35.890 26.387 379 HG13 ILE 87 HG13 ILE 87 10.371 37.532 26.966 380 HG21 ILE 87 HG21 ILE 87 7.864 35.667 24.079 381 HG22 ILE 87 HG22 ILE 87 7.795 35.068 25.736 382 HG23 ILE 87 HG23 ILE 87 9.262 34.852 24.780 383 HD11 ILE 87 HD11 ILE 87 8.199 36.637 27.987 384 HD12 ILE 87 HD12 ILE 87 9.697 36.109 28.756 385 HD13 ILE 87 HD13 ILE 87 8.835 35.023 27.665 386 H TRP 88 H TRP 88 7.907 39.332 24.204 387 HA TRP 88 HA TRP 88 6.401 38.354 22.046 388 HB2 TRP 88 HB2 TRP 88 5.575 40.045 23.627 389 HB3 TRP 88 HB3 TRP 88 6.704 41.213 22.966 390 HD1 TRP 88 HD1 TRP 88 3.648 39.121 21.905 391 HE1 TRP 88 HE1 TRP 88 2.413 40.387 20.033 392 HE3 TRP 88 HE3 TRP 88 6.859 43.031 21.219 393 HZ2 TRP 88 HZ2 TRP 88 2.743 42.749 18.447 394 HZ3 TRP 88 HZ3 TRP 88 6.377 44.770 19.524 395 HH2 TRP 88 HH2 TRP 88 4.327 44.636 18.139 396 H SER 89 H SER 89 9.013 40.793 22.072 397 HA SER 89 HA SER 89 8.802 41.646 19.444 398 HB2 SER 89 HB2 SER 89 11.079 42.415 19.639 399 HB3 SER 89 HB3 SER 89 10.294 42.624 21.200 400 HG SER 89 HG SER 89 11.601 41.174 21.962 401 H LEU 90 H LEU 90 10.547 38.823 20.705 402 HA LEU 90 HA LEU 90 11.592 38.061 18.147 403 HB2 LEU 90 HB2 LEU 90 11.242 36.427 20.671 404 HB3 LEU 90 HB3 LEU 90 12.229 35.977 19.279 405 HG LEU 90 HG LEU 90 12.635 38.504 20.903 406 HD11 LEU 90 HD11 LEU 90 13.092 36.136 21.976 407 HD12 LEU 90 HD12 LEU 90 14.288 37.422 22.137 408 HD13 LEU 90 HD13 LEU 90 14.511 36.158 20.929 409 HD21 LEU 90 HD21 LEU 90 14.153 37.152 18.660 410 HD22 LEU 90 HD22 LEU 90 14.881 38.384 19.689 411 HD23 LEU 90 HD23 LEU 90 13.490 38.788 18.683 412 H ASN 91 H ASN 91 8.907 36.815 20.145 413 HA ASN 91 HA ASN 91 8.186 34.908 18.080 414 HB2 ASN 91 HB2 ASN 91 7.001 35.491 20.794 415 HB3 ASN 91 HB3 ASN 91 6.464 34.196 19.724 416 HD21 ASN 91 HD21 ASN 91 9.581 35.419 21.113 417 HD22 ASN 91 HD22 ASN 91 10.220 33.866 21.372 418 H LYS 92 H LYS 92 7.543 38.105 18.203 419 HA LYS 92 HA LYS 92 4.829 38.439 17.964 420 HB2 LYS 92 HB2 LYS 92 5.294 40.428 16.684 421 HB3 LYS 92 HB3 LYS 92 6.524 40.252 17.931 422 HG2 LYS 92 HG2 LYS 92 8.033 39.208 16.227 423 HG3 LYS 92 HG3 LYS 92 6.815 39.545 14.996 424 HD2 LYS 92 HD2 LYS 92 6.929 41.984 15.737 425 HD3 LYS 92 HD3 LYS 92 8.371 41.540 16.653 426 HE2 LYS 92 HE2 LYS 92 9.017 42.396 14.448 427 HE3 LYS 92 HE3 LYS 92 9.408 40.681 14.568 428 HZ1 LYS 92 HZ1 LYS 92 7.672 40.095 13.199 429 HZ2 LYS 92 HZ2 LYS 92 8.179 41.556 12.494 430 HZ3 LYS 92 HZ3 LYS 92 6.802 41.522 13.491 431 H HIS 93 H HIS 93 6.990 36.956 15.621 432 HA HIS 93 HA HIS 93 5.149 37.057 13.441 433 HB2 HIS 93 HB2 HIS 93 6.655 35.640 12.285 434 HB3 HIS 93 HB3 HIS 93 7.613 36.769 13.216 435 HD1 HIS 93 HD1 HIS 93 8.920 35.764 15.306 436 HD2 HIS 93 HD2 HIS 93 7.007 32.939 12.906 437 HE1 HIS 93 HE1 HIS 93 9.911 33.521 15.912 438 H LEU 94 H LEU 94 5.762 34.728 16.022 439 HA LEU 94 HA LEU 94 4.198 32.617 14.911 440 HB2 LEU 94 HB2 LEU 94 4.922 33.162 17.799 441 HB3 LEU 94 HB3 LEU 94 4.309 31.638 17.158 442 HG LEU 94 HG LEU 94 6.870 32.974 16.244 443 HD11 LEU 94 HD11 LEU 94 7.788 30.816 17.435 444 HD12 LEU 94 HD12 LEU 94 6.268 30.890 18.324 445 HD13 LEU 94 HD13 LEU 94 7.399 32.240 18.397 446 HD21 LEU 94 HD21 LEU 94 5.542 30.319 15.638 447 HD22 LEU 94 HD22 LEU 94 7.240 30.640 15.283 448 HD23 LEU 94 HD23 LEU 94 5.980 31.588 14.495 449 H TYR 95 H TYR 95 3.479 35.177 17.276 450 HA TYR 95 HA TYR 95 0.635 34.345 17.221 451 HB2 TYR 95 HB2 TYR 95 2.094 36.028 19.259 452 HB3 TYR 95 HB3 TYR 95 0.419 35.519 19.345 453 HD1 TYR 95 HD2 TYR 95 -0.101 33.041 19.543 454 HD2 TYR 95 HD1 TYR 95 3.857 34.640 20.021 455 HE1 TYR 95 HE2 TYR 95 0.598 30.964 20.703 456 HE2 TYR 95 HE1 TYR 95 4.556 32.563 21.183 457 HH TYR 95 HH TYR 95 3.653 30.075 21.183 458 H SER 96 H SER 96 -0.984 35.890 16.980 459 HA SER 96 HA SER 96 -0.250 38.038 15.192 460 HB2 SER 96 HB2 SER 96 -2.969 37.256 16.262 461 HB3 SER 96 HB3 SER 96 -2.650 38.338 14.910 462 HG SER 96 HG SER 96 -1.766 35.697 15.024 463 H SER 97 H SER 97 -1.450 37.750 18.509 464 HA SER 97 HA SER 97 -0.895 40.580 18.947 465 HB2 SER 97 HB2 SER 97 -3.110 41.146 19.695 466 HB3 SER 97 HB3 SER 97 -3.245 40.455 18.082 467 HG SER 97 HG SER 97 -3.627 39.099 20.494 468 H GLU 98 H GLU 98 -1.380 41.189 21.264 469 HA GLU 98 HA GLU 98 0.033 39.499 23.018 470 HB2 GLU 98 HB2 GLU 98 -1.866 41.776 23.634 471 HB3 GLU 98 HB3 GLU 98 -0.742 41.053 24.782 472 HG2 GLU 98 HG2 GLU 98 0.049 42.379 22.176 473 HG3 GLU 98 HG3 GLU 98 0.162 43.129 23.762 474 H SER 99 H SER 99 -3.434 39.904 22.434 475 HA SER 99 HA SER 99 -4.428 38.702 24.751 476 HB2 SER 99 HB2 SER 99 -5.783 39.919 23.033 477 HB3 SER 99 HB3 SER 99 -5.635 38.511 21.986 478 HG SER 99 HG SER 99 -7.478 38.321 23.194 479 H GLU 100 H GLU 100 -3.461 37.223 21.667 480 HA GLU 100 HA GLU 100 -4.353 34.618 22.255 481 HB2 GLU 100 HB2 GLU 100 -2.149 35.585 20.427 482 HB3 GLU 100 HB3 GLU 100 -2.737 33.920 20.474 483 HG2 GLU 100 HG2 GLU 100 -5.032 34.737 19.993 484 HG3 GLU 100 HG3 GLU 100 -4.408 36.377 19.877 485 H MET 101 H MET 101 -1.311 36.262 23.017 486 HA MET 101 HA MET 101 0.074 33.968 23.956 487 HB2 MET 101 HB2 MET 101 0.372 36.891 24.682 488 HB3 MET 101 HB3 MET 101 1.500 35.624 25.163 489 HG2 MET 101 HG2 MET 101 1.802 35.060 22.733 490 HG3 MET 101 HG3 MET 101 0.821 36.470 22.335 491 HE1 MET 101 HE1 MET 101 4.998 36.324 24.202 492 HE2 MET 101 HE2 MET 101 3.986 34.985 23.664 493 HE3 MET 101 HE3 MET 101 3.593 35.835 25.157 494 H MET 102 H MET 102 -1.901 36.410 25.629 495 HA MET 102 HA MET 102 -1.516 35.477 28.244 496 HB2 MET 102 HB2 MET 102 -3.905 36.875 27.025 497 HB3 MET 102 HB3 MET 102 -3.638 36.666 28.756 498 HG2 MET 102 HG2 MET 102 -1.432 37.843 28.487 499 HG3 MET 102 HG3 MET 102 -1.877 38.187 26.816 500 HE1 MET 102 HE1 MET 102 -2.431 38.474 30.409 501 HE2 MET 102 HE2 MET 102 -4.178 38.306 30.241 502 HE3 MET 102 HE3 MET 102 -3.488 39.860 30.704 503 H LYS 103 H LYS 103 -3.816 34.476 25.765 504 HA LYS 103 HA LYS 103 -5.145 32.631 27.602 505 HB2 LYS 103 HB2 LYS 103 -5.662 33.313 24.705 506 HB3 LYS 103 HB3 LYS 103 -6.632 32.194 25.662 507 HG2 LYS 103 HG2 LYS 103 -7.067 34.026 27.299 508 HG3 LYS 103 HG3 LYS 103 -6.189 35.136 26.245 509 HD2 LYS 103 HD2 LYS 103 -7.789 34.590 24.405 510 HD3 LYS 103 HD3 LYS 103 -8.707 33.601 25.542 511 HE2 LYS 103 HE2 LYS 103 -9.086 35.563 26.972 512 HE3 LYS 103 HE3 LYS 103 -8.138 36.561 25.870 513 HZ1 LYS 103 HZ1 LYS 103 -10.381 36.888 25.296 514 HZ2 LYS 103 HZ2 LYS 103 -10.727 35.225 25.342 515 HZ3 LYS 103 HZ3 LYS 103 -9.754 35.859 24.102 516 H ALA 104 H ALA 104 -2.269 32.264 26.341 517 HA ALA 104 HA ALA 104 -2.247 30.162 24.545 518 HB1 ALA 104 HB1 ALA 104 -0.010 29.655 25.388 519 HB2 ALA 104 HB2 ALA 104 -0.327 30.599 26.843 520 HB3 ALA 104 HB3 ALA 104 -0.238 31.400 25.275 521 H ALA 105 H ALA 105 -2.254 27.959 24.677 522 HA ALA 105 HA ALA 105 -3.013 26.741 27.263 523 HB1 ALA 105 HB1 ALA 105 -5.073 26.653 26.232 524 HB2 ALA 105 HB2 ALA 105 -4.373 25.158 25.614 525 HB3 ALA 105 HB3 ALA 105 -4.380 26.609 24.612 526 HA PRO 106 HA PRO 106 0.016 23.629 26.610 527 HB2 PRO 106 HB2 PRO 106 -2.007 21.446 26.548 528 HB3 PRO 106 HB3 PRO 106 -0.604 21.660 27.613 529 HG2 PRO 106 HG2 PRO 106 -3.082 22.061 28.484 530 HG3 PRO 106 HG3 PRO 106 -1.725 23.061 29.037 531 HD2 PRO 106 HD2 PRO 106 -3.887 23.742 27.084 532 HD3 PRO 106 HD3 PRO 106 -3.068 24.783 28.272 533 H GLY 107 H GLY 107 1.067 22.561 24.955 534 HA2 GLY 107 HA2 GLY 107 1.101 21.175 23.001 535 HA3 GLY 107 HA3 GLY 107 -0.493 21.777 22.581 536 H GLN 108 H GLN 108 0.804 24.591 23.361 537 HA GLN 108 HA GLN 108 1.564 25.146 20.602 538 HB2 GLN 108 HB2 GLN 108 1.102 26.957 22.976 539 HB3 GLN 108 HB3 GLN 108 1.589 27.531 21.379 540 HG2 GLN 108 HG2 GLN 108 -0.411 26.434 20.398 541 HG3 GLN 108 HG3 GLN 108 -0.916 25.946 22.014 542 HE21 GLN 108 HE21 GLN 108 -0.738 28.650 19.781 543 HE22 GLN 108 HE22 GLN 108 -1.548 29.764 20.776 544 H GLN 109 H GLN 109 3.484 26.406 20.093 545 HA GLN 109 HA GLN 109 5.763 25.510 21.757 546 HB2 GLN 109 HB2 GLN 109 5.728 26.221 18.815 547 HB3 GLN 109 HB3 GLN 109 7.087 25.561 19.719 548 HG2 GLN 109 HG2 GLN 109 4.437 24.176 19.218 549 HG3 GLN 109 HG3 GLN 109 5.969 23.789 18.442 550 HE21 GLN 109 HE21 GLN 109 4.022 22.457 20.624 551 HE22 GLN 109 HE22 GLN 109 5.142 21.826 21.731 552 H ILE 110 H ILE 110 7.437 26.886 22.196 553 HA ILE 110 HA ILE 110 7.166 29.718 21.397 554 HB ILE 110 HB ILE 110 8.142 28.640 24.061 555 HG12 ILE 110 HG12 ILE 110 5.704 30.338 23.470 556 HG13 ILE 110 HG13 ILE 110 5.636 28.581 23.602 557 HG21 ILE 110 HG21 ILE 110 9.362 30.642 23.498 558 HG22 ILE 110 HG22 ILE 110 8.120 31.095 24.666 559 HG23 ILE 110 HG23 ILE 110 7.893 31.450 22.953 560 HD11 ILE 110 HD11 ILE 110 6.163 28.599 25.880 561 HD12 ILE 110 HD12 ILE 110 5.151 30.034 25.724 562 HD13 ILE 110 HD13 ILE 110 6.905 30.197 25.803 563 H ILE 111 H ILE 111 9.035 30.659 20.626 564 HA ILE 111 HA ILE 111 11.398 28.888 20.425 565 HB ILE 111 HB ILE 111 10.678 31.275 18.707 566 HG12 ILE 111 HG12 ILE 111 10.528 28.313 18.064 567 HG13 ILE 111 HG13 ILE 111 9.129 29.311 18.461 568 HG21 ILE 111 HG21 ILE 111 13.103 30.793 18.869 569 HG22 ILE 111 HG22 ILE 111 12.483 30.419 17.261 570 HG23 ILE 111 HG23 ILE 111 12.796 29.118 18.411 571 HD11 ILE 111 HD11 ILE 111 9.809 30.836 16.549 572 HD12 ILE 111 HD12 ILE 111 9.256 29.233 16.064 573 HD13 ILE 111 HD13 ILE 111 10.981 29.603 16.085 574 H LEU 112 H LEU 112 13.261 29.460 21.309 575 HA LEU 112 HA LEU 112 13.587 32.219 22.335 576 HB2 LEU 112 HB2 LEU 112 14.629 29.619 23.482 577 HB3 LEU 112 HB3 LEU 112 15.014 31.225 24.098 578 HG LEU 112 HG LEU 112 12.148 30.362 23.780 579 HD11 LEU 112 HD11 LEU 112 13.653 28.750 25.205 580 HD12 LEU 112 HD12 LEU 112 12.115 29.305 25.866 581 HD13 LEU 112 HD13 LEU 112 13.621 30.061 26.383 582 HD21 LEU 112 HD21 LEU 112 13.678 32.402 25.404 583 HD22 LEU 112 HD22 LEU 112 12.014 31.964 25.792 584 HD23 LEU 112 HD23 LEU 112 12.394 32.686 24.229 585 HA PRO 113 HA PRO 113 17.202 31.513 19.608 586 HB2 PRO 113 HB2 PRO 113 17.133 33.801 18.185 587 HB3 PRO 113 HB3 PRO 113 16.057 32.440 17.809 588 HG2 PRO 113 HG2 PRO 113 15.457 34.998 19.163 589 HG3 PRO 113 HG3 PRO 113 14.431 33.994 18.125 590 HD2 PRO 113 HD2 PRO 113 14.385 34.065 20.951 591 HD3 PRO 113 HD3 PRO 113 13.574 32.876 19.912 592 H LEU 114 H LEU 114 17.936 31.895 22.023 593 HA LEU 114 HA LEU 114 19.118 34.567 22.372 594 HB2 LEU 114 HB2 LEU 114 17.791 33.567 24.236 595 HB3 LEU 114 HB3 LEU 114 18.980 32.269 24.338 596 HG LEU 114 HG LEU 114 20.752 34.063 24.647 597 HD11 LEU 114 HD11 LEU 114 18.237 35.732 24.806 598 HD12 LEU 114 HD12 LEU 114 19.678 36.020 23.829 599 HD13 LEU 114 HD13 LEU 114 19.740 36.239 25.578 600 HD21 LEU 114 HD21 LEU 114 19.866 32.753 26.537 601 HD22 LEU 114 HD22 LEU 114 18.526 33.887 26.704 602 HD23 LEU 114 HD23 LEU 114 20.176 34.417 27.032 603 H LYS 115 H LYS 115 21.239 34.920 22.147 604 HA LYS 115 HA LYS 115 23.058 32.585 21.968 605 HB2 LYS 115 HB2 LYS 115 23.076 35.114 20.303 606 HB3 LYS 115 HB3 LYS 115 24.337 33.880 20.275 607 HG2 LYS 115 HG2 LYS 115 22.619 32.192 19.626 608 HG3 LYS 115 HG3 LYS 115 21.420 33.484 19.548 609 HD2 LYS 115 HD2 LYS 115 22.842 34.650 17.859 610 HD3 LYS 115 HD3 LYS 115 23.940 33.269 17.877 611 HE2 LYS 115 HE2 LYS 115 21.011 32.823 17.384 612 HE3 LYS 115 HE3 LYS 115 22.043 33.379 16.066 613 HZ1 LYS 115 HZ1 LYS 115 22.263 31.128 15.871 614 HZ2 LYS 115 HZ2 LYS 115 22.106 30.842 17.538 615 HZ3 LYS 115 HZ3 LYS 115 23.562 31.455 16.912 616 H LYS 116 H LYS 116 25.033 32.774 22.936 617 HA LYS 116 HA LYS 116 25.602 35.296 24.388 618 HB2 LYS 116 HB2 LYS 116 26.154 32.443 25.241 619 HB3 LYS 116 HB3 LYS 116 26.711 33.879 26.102 620 HG2 LYS 116 HG2 LYS 116 24.339 34.617 26.333 621 HG3 LYS 116 HG3 LYS 116 23.826 33.107 25.578 622 HD2 LYS 116 HD2 LYS 116 25.011 31.851 27.384 623 HD3 LYS 116 HD3 LYS 116 25.375 33.388 28.170 624 HE2 LYS 116 HE2 LYS 116 22.581 32.400 27.531 625 HE3 LYS 116 HE3 LYS 116 23.345 32.299 29.118 626 HZ1 LYS 116 HZ1 LYS 116 23.605 34.727 29.064 627 HZ2 LYS 116 HZ2 LYS 116 21.976 34.250 29.004 628 HZ3 LYS 116 HZ3 LYS 116 22.762 34.780 27.594 629 H LEU 117 H LEU 117 27.645 36.109 24.230 630 HA LEU 117 HA LEU 117 29.627 34.550 22.681 631 HB2 LEU 117 HB2 LEU 117 28.367 36.384 21.375 632 HB3 LEU 117 HB3 LEU 117 29.297 37.524 22.349 633 HG LEU 117 HG LEU 117 31.369 36.168 21.630 634 HD11 LEU 117 HD11 LEU 117 30.437 34.205 20.697 635 HD12 LEU 117 HD12 LEU 117 30.930 35.147 19.290 636 HD13 LEU 117 HD13 LEU 117 29.235 35.110 19.776 637 HD21 LEU 117 HD21 LEU 117 29.909 37.595 19.395 638 HD22 LEU 117 HD22 LEU 117 31.648 37.538 19.689 639 HD23 LEU 117 HD23 LEU 117 30.600 38.454 20.772 640 HA PRO 118 HA PRO 118 31.497 36.038 26.703 641 HB2 PRO 118 HB2 PRO 118 33.154 33.623 26.159 642 HB3 PRO 118 HB3 PRO 118 32.406 34.162 27.675 643 HG2 PRO 118 HG2 PRO 118 31.427 32.113 26.294 644 HG3 PRO 118 HG3 PRO 118 30.371 33.244 27.160 645 HD2 PRO 118 HD2 PRO 118 30.892 33.037 24.223 646 HD3 PRO 118 HD3 PRO 118 29.403 33.497 25.077 647 H PHE 119 H PHE 119 33.070 37.544 26.572 648 HA PHE 119 HA PHE 119 35.241 37.188 24.605 649 HB2 PHE 119 HB2 PHE 119 35.030 39.491 23.881 650 HB3 PHE 119 HB3 PHE 119 33.531 38.630 23.592 651 HD1 PHE 119 HD2 PHE 119 31.545 39.061 25.031 652 HD2 PHE 119 HD1 PHE 119 35.168 41.338 25.406 653 HE1 PHE 119 HE2 PHE 119 30.321 40.799 26.308 654 HE2 PHE 119 HE1 PHE 119 33.944 43.075 26.684 655 HZ PHE 119 HZ PHE 119 31.520 42.806 27.134 656 H GLU 120 H GLU 120 37.082 38.617 25.003 657 HA GLU 120 HA GLU 120 37.281 39.986 27.534 658 HB2 GLU 120 HB2 GLU 120 37.573 37.575 28.165 659 HB3 GLU 120 HB3 GLU 120 38.992 37.523 27.117 660 HG2 GLU 120 HG2 GLU 120 39.987 39.395 28.426 661 HG3 GLU 120 HG3 GLU 120 38.602 39.346 29.506 662 H TYR 121 H TYR 121 37.584 41.411 25.521 663 HA TYR 121 HA TYR 121 40.441 41.432 24.724 664 HB2 TYR 121 HB2 TYR 121 38.047 42.482 23.214 665 HB3 TYR 121 HB3 TYR 121 39.716 42.590 22.688 666 HD1 TYR 121 HD2 TYR 121 40.978 40.469 22.149 667 HD2 TYR 121 HD1 TYR 121 36.744 40.529 22.866 668 HE1 TYR 121 HE2 TYR 121 40.763 38.253 21.057 669 HE2 TYR 121 HE1 TYR 121 36.528 38.313 21.774 670 HH TYR 121 HH TYR 121 38.089 36.355 21.309 671 H SER 122 H SER 122 41.600 43.173 25.236 672 HA SER 122 HA SER 122 40.591 45.246 26.873 673 HB2 SER 122 HB2 SER 122 42.785 46.240 26.660 674 HB3 SER 122 HB3 SER 122 42.969 44.494 26.799 675 HG SER 122 HG SER 122 43.927 44.664 24.955 676 H ALA 123 H ALA 123 40.942 44.973 23.385 677 HA ALA 123 HA ALA 123 40.852 47.682 22.679 678 HB1 ALA 123 HB1 ALA 123 39.663 45.349 21.165 679 HB2 ALA 123 HB2 ALA 123 41.358 45.832 21.110 680 HB3 ALA 123 HB3 ALA 123 40.112 46.916 20.492 681 H LEU 124 H LEU 124 38.263 45.495 23.641 682 HA LEU 124 HA LEU 124 36.299 47.669 23.187 683 HB2 LEU 124 HB2 LEU 124 35.950 45.538 21.896 684 HB3 LEU 124 HB3 LEU 124 35.725 44.710 23.437 685 HG LEU 124 HG LEU 124 33.979 46.603 23.905 686 HD11 LEU 124 HD11 LEU 124 32.858 47.156 21.626 687 HD12 LEU 124 HD12 LEU 124 34.426 46.751 20.926 688 HD13 LEU 124 HD13 LEU 124 34.292 48.072 22.088 689 HD21 LEU 124 HD21 LEU 124 32.259 45.236 22.562 690 HD22 LEU 124 HD22 LEU 124 33.231 44.350 23.737 691 HD23 LEU 124 HD23 LEU 124 33.627 44.264 22.020 692 HA PRO 125 HA PRO 125 36.393 47.068 27.746 693 HB2 PRO 125 HB2 PRO 125 36.504 49.659 28.504 694 HB3 PRO 125 HB3 PRO 125 37.954 48.767 28.001 695 HG2 PRO 125 HG2 PRO 125 36.358 50.770 26.510 696 HG3 PRO 125 HG3 PRO 125 38.104 50.474 26.497 697 HD2 PRO 125 HD2 PRO 125 36.311 49.578 24.551 698 HD3 PRO 125 HD3 PRO 125 37.948 48.942 24.813 699 H LEU 126 H LEU 126 34.348 46.450 28.248 700 HA LEU 126 HA LEU 126 32.107 48.269 27.662 701 HB2 LEU 126 HB2 LEU 126 32.073 45.862 26.894 702 HB3 LEU 126 HB3 LEU 126 31.973 45.397 28.592 703 HG LEU 126 HG LEU 126 30.039 47.438 27.541 704 HD11 LEU 126 HD11 LEU 126 29.597 44.453 27.288 705 HD12 LEU 126 HD12 LEU 126 30.082 45.476 25.936 706 HD13 LEU 126 HD13 LEU 126 28.532 45.745 26.734 707 HD21 LEU 126 HD21 LEU 126 30.174 45.390 29.741 708 HD22 LEU 126 HD22 LEU 126 28.604 45.971 29.186 709 HD23 LEU 126 HD23 LEU 126 29.780 47.105 29.844 710 H LEU 127 H LEU 127 31.137 49.375 29.237 711 HA LEU 127 HA LEU 127 31.897 48.810 32.023 712 HB2 LEU 127 HB2 LEU 127 32.208 51.117 31.112 713 HB3 LEU 127 HB3 LEU 127 30.462 51.223 30.891 714 HG LEU 127 HG LEU 127 30.243 50.660 33.370 715 HD11 LEU 127 HD11 LEU 127 32.412 49.747 33.834 716 HD12 LEU 127 HD12 LEU 127 32.325 51.286 34.692 717 HD13 LEU 127 HD13 LEU 127 33.220 51.171 33.177 718 HD21 LEU 127 HD21 LEU 127 31.590 53.204 32.427 719 HD22 LEU 127 HD22 LEU 127 30.939 53.012 34.054 720 HD23 LEU 127 HD23 LEU 127 29.864 52.924 32.659 721 H GLY 128 H GLY 128 30.486 48.006 33.454 722 HA2 GLY 128 HA2 GLY 128 27.726 47.528 32.542 723 HA3 GLY 128 HA3 GLY 128 28.557 46.634 33.810 724 H SER 129 H SER 129 28.363 50.150 33.407 725 HA SER 129 HA SER 129 26.982 50.306 36.027 726 HB2 SER 129 HB2 SER 129 29.299 51.220 35.998 727 HB3 SER 129 HB3 SER 129 28.807 52.348 34.740 728 HG SER 129 HG SER 129 27.826 52.159 37.343 729 H ALA 130 H ALA 130 25.219 51.619 36.235 730 HA ALA 130 HA ALA 130 24.254 53.001 33.799 731 HB1 ALA 130 HB1 ALA 130 22.803 51.139 35.662 732 HB2 ALA 130 HB2 ALA 130 22.848 51.131 33.898 733 HB3 ALA 130 HB3 ALA 130 21.925 52.369 34.752 734 HA PRO 131 HA PRO 131 24.745 56.072 37.282 735 HB2 PRO 131 HB2 PRO 131 24.339 57.824 34.890 736 HB3 PRO 131 HB3 PRO 131 25.477 58.003 36.241 737 HG2 PRO 131 HG2 PRO 131 26.281 57.147 33.857 738 HG3 PRO 131 HG3 PRO 131 26.975 56.510 35.359 739 HD2 PRO 131 HD2 PRO 131 25.096 55.199 33.462 740 HD3 PRO 131 HD3 PRO 131 26.303 54.471 34.544 741 H LEU 132 H LEU 132 22.378 55.803 34.683 742 HA LEU 132 HA LEU 132 20.410 57.334 36.242 743 HB2 LEU 132 HB2 LEU 132 20.722 57.845 33.818 744 HB3 LEU 132 HB3 LEU 132 20.170 56.213 33.441 745 HG LEU 132 HG LEU 132 18.062 56.745 34.761 746 HD11 LEU 132 HD11 LEU 132 19.367 59.470 34.669 747 HD12 LEU 132 HD12 LEU 132 18.716 58.619 36.070 748 HD13 LEU 132 HD13 LEU 132 17.623 59.279 34.852 749 HD21 LEU 132 HD21 LEU 132 17.038 57.952 32.899 750 HD22 LEU 132 HD22 LEU 132 18.203 56.790 32.264 751 HD23 LEU 132 HD23 LEU 132 18.621 58.501 32.350 752 H VAL 133 H VAL 133 18.799 56.379 37.320 753 HA VAL 133 HA VAL 133 18.318 53.487 36.871 754 HB VAL 133 HB VAL 133 18.068 55.016 39.475 755 HG11 VAL 133 HG11 VAL 133 16.520 53.138 39.347 756 HG12 VAL 133 HG12 VAL 133 17.852 52.707 40.419 757 HG13 VAL 133 HG13 VAL 133 17.805 52.077 38.774 758 HG21 VAL 133 HG21 VAL 133 20.172 53.057 38.499 759 HG22 VAL 133 HG22 VAL 133 20.043 53.648 40.155 760 HG23 VAL 133 HG23 VAL 133 20.420 54.769 38.846 761 H ALA 134 H ALA 134 16.270 52.868 36.501 762 HA ALA 134 HA ALA 134 14.173 54.950 36.571 763 HB1 ALA 134 HB1 ALA 134 14.744 53.834 34.372 764 HB2 ALA 134 HB2 ALA 134 13.049 53.727 34.850 765 HB3 ALA 134 HB3 ALA 134 14.113 52.335 35.057 766 H ALA 135 H ALA 135 12.139 54.474 37.448 767 HA ALA 135 HA ALA 135 11.849 51.937 38.902 768 HB1 ALA 135 HB1 ALA 135 10.925 53.366 40.850 769 HB2 ALA 135 HB2 ALA 135 11.820 54.693 40.109 770 HB3 ALA 135 HB3 ALA 135 12.676 53.255 40.664 771 H GLY 136 H GLY 136 9.684 51.380 39.386 772 HA2 GLY 136 HA2 GLY 136 7.679 52.870 37.790 773 HA3 GLY 136 HA3 GLY 136 7.640 51.134 38.073 774 H GLY 137 H GLY 137 8.377 53.534 40.554 775 HA2 GLY 137 HA2 GLY 137 6.622 52.493 42.460 776 HA3 GLY 137 HA3 GLY 137 7.288 54.120 42.494 777 H VAL 138 H VAL 138 6.080 54.940 39.976 778 HA VAL 138 HA VAL 138 3.683 56.019 40.956 779 HB VAL 138 HB VAL 138 5.027 57.024 39.150 780 HG11 VAL 138 HG11 VAL 138 4.927 56.141 36.887 781 HG12 VAL 138 HG12 VAL 138 3.861 54.836 37.405 782 HG13 VAL 138 HG13 VAL 138 5.534 54.881 37.962 783 HG21 VAL 138 HG21 VAL 138 2.740 57.772 39.378 784 HG22 VAL 138 HG22 VAL 138 2.142 56.365 38.496 785 HG23 VAL 138 HG23 VAL 138 3.080 57.600 37.655 786 H ALA 139 H ALA 139 4.288 53.064 39.140 787 HA ALA 139 HA ALA 139 1.715 52.580 38.159 788 HB1 ALA 139 HB1 ALA 139 3.684 50.505 39.142 789 HB2 ALA 139 HB2 ALA 139 3.758 51.280 37.560 790 HB3 ALA 139 HB3 ALA 139 2.383 50.260 37.978 791 H GLY 140 H GLY 140 3.129 51.847 41.327 792 HA2 GLY 140 HA2 GLY 140 2.104 51.433 43.353 793 HA3 GLY 140 HA3 GLY 140 0.579 51.909 42.609 794 H HIS 141 H HIS 141 2.827 49.280 41.778 795 HA HIS 141 HA HIS 141 0.887 47.411 41.100 796 HB2 HIS 141 HB2 HIS 141 3.634 46.912 42.247 797 HB3 HIS 141 HB3 HIS 141 2.649 45.718 41.425 798 HD1 HIS 141 HD1 HIS 141 2.043 46.397 38.828 799 HD2 HIS 141 HD2 HIS 141 5.298 48.331 40.572 800 HE1 HIS 141 HE1 HIS 141 3.406 47.359 36.925 801 H THR 142 H THR 142 2.325 48.091 44.260 802 HA THR 142 HA THR 142 1.400 45.852 45.659 803 HB THR 142 HB THR 142 1.678 48.668 46.737 804 HG1 THR 142 HG1 THR 142 3.754 48.239 46.816 805 HG21 THR 142 HG21 THR 142 2.070 47.560 48.861 806 HG22 THR 142 HG22 THR 142 1.992 45.975 48.091 807 HG23 THR 142 HG23 THR 142 0.544 46.976 48.199 808 H ASN 143 H ASN 143 -0.196 48.947 44.975 809 HA ASN 143 HA ASN 143 -2.473 48.596 46.571 810 HB2 ASN 143 HB2 ASN 143 -1.764 50.692 45.330 811 HB3 ASN 143 HB3 ASN 143 -2.444 49.962 43.877 812 HD21 ASN 143 HD21 ASN 143 -4.097 51.703 43.838 813 HD22 ASN 143 HD22 ASN 143 -5.415 51.646 44.906 814 H GLY 144 H GLY 144 -1.787 47.527 43.263 815 HA2 GLY 144 HA2 GLY 144 -2.721 45.808 42.038 816 HA3 GLY 144 HA3 GLY 144 -3.640 45.352 43.467 817 H SER 145 H SER 145 -3.786 48.580 42.063 818 HA SER 145 HA SER 145 -6.596 48.625 41.962 819 HB2 SER 145 HB2 SER 145 -5.125 50.642 42.012 820 HB3 SER 145 HB3 SER 145 -4.682 50.315 40.340 821 HG SER 145 HG SER 145 -6.726 51.623 41.138 822 H GLY 146 H GLY 146 -4.188 47.807 39.506 823 HA2 GLY 146 HA2 GLY 146 -5.956 47.773 37.287 824 HA3 GLY 146 HA3 GLY 146 -4.391 46.970 37.370 825 H SER 147 H SER 147 -7.071 46.103 36.312 826 HA SER 147 HA SER 147 -7.310 43.584 37.863 827 HB2 SER 147 HB2 SER 147 -9.461 45.027 36.293 828 HB3 SER 147 HB3 SER 147 -9.652 43.489 37.129 829 HG SER 147 HG SER 147 -9.337 46.026 38.155 830 H GLU 148 H GLU 148 -7.160 41.704 36.764 831 HA GLU 148 HA GLU 148 -6.069 41.706 34.131 832 HB2 GLU 148 HB2 GLU 148 -7.143 39.448 35.834 833 HB3 GLU 148 HB3 GLU 148 -6.258 39.233 34.322 834 HG2 GLU 148 HG2 GLU 148 -4.348 40.495 35.295 835 HG3 GLU 148 HG3 GLU 148 -5.222 40.610 36.815 836 H ASN 149 H ASN 149 -9.294 41.094 35.440 837 HA ASN 149 HA ASN 149 -10.286 40.480 32.734 838 HB2 ASN 149 HB2 ASN 149 -10.793 38.977 34.730 839 HB3 ASN 149 HB3 ASN 149 -11.819 40.278 35.326 840 HD21 ASN 149 HD21 ASN 149 -13.488 38.407 34.994 841 HD22 ASN 149 HD22 ASN 149 -14.226 38.319 33.468 842 H LEU 150 H LEU 150 -10.623 42.384 31.713 843 HA LEU 150 HA LEU 150 -11.521 44.774 32.924 844 HB2 LEU 150 HB2 LEU 150 -11.761 43.899 30.035 845 HB3 LEU 150 HB3 LEU 150 -11.910 45.553 30.632 846 HG LEU 150 HG LEU 150 -9.438 43.830 30.964 847 HD11 LEU 150 HD11 LEU 150 -8.465 45.391 29.265 848 HD12 LEU 150 HD12 LEU 150 -10.075 46.068 29.018 849 HD13 LEU 150 HD13 LEU 150 -9.755 44.382 28.611 850 HD21 LEU 150 HD21 LEU 150 -9.378 45.422 32.689 851 HD22 LEU 150 HD22 LEU 150 -10.200 46.643 31.718 852 HD23 LEU 150 HD23 LEU 150 -8.514 46.245 31.390 853 H TYR 151 H TYR 151 -13.254 42.073 31.449 854 HA TYR 151 HA TYR 151 -15.813 43.391 32.164 855 HB2 TYR 151 HB2 TYR 151 -16.843 42.310 30.286 856 HB3 TYR 151 HB3 TYR 151 -15.445 43.206 29.728 857 HD1 TYR 151 HD2 TYR 151 -13.402 42.013 28.994 858 HD2 TYR 151 HD1 TYR 151 -16.960 39.906 30.155 859 HE1 TYR 151 HE2 TYR 151 -12.535 39.955 27.915 860 HE2 TYR 151 HE1 TYR 151 -16.093 37.849 29.076 861 HH TYR 151 HH TYR 151 -14.465 37.054 27.720 862 H PHE 152 H PHE 152 -17.348 42.206 33.204 863 HA PHE 152 HA PHE 152 -16.470 39.862 34.622 864 HB2 PHE 152 HB2 PHE 152 -18.639 39.943 35.694 865 HB3 PHE 152 HB3 PHE 152 -17.921 41.542 35.659 866 HD1 PHE 152 HD2 PHE 152 -18.808 43.280 34.127 867 HD2 PHE 152 HD1 PHE 152 -20.661 39.423 34.498 868 HE1 PHE 152 HE2 PHE 152 -20.854 44.158 33.033 869 HE2 PHE 152 HE1 PHE 152 -22.706 40.300 33.403 870 HZ PHE 152 HZ PHE 152 -22.803 42.668 32.672 871 H GLN 153 H GLN 153 -18.505 40.473 31.815 872 HA GLN 153 HA GLN 153 -19.951 38.103 31.667 873 HB2 GLN 153 HB2 GLN 153 -18.762 39.758 29.430 874 HB3 GLN 153 HB3 GLN 153 -19.973 38.496 29.207 875 HG2 GLN 153 HG2 GLN 153 -21.543 39.698 30.641 876 HG3 GLN 153 HG3 GLN 153 -20.330 40.932 30.974 877 HE21 GLN 153 HE21 GLN 153 -22.855 41.590 29.785 878 HE22 GLN 153 HE22 GLN 153 -22.572 42.115 28.196 Start of MODEL 23 1 H1 MET 39 HT1 MET 39 31.408 14.094 -6.231 2 H2 MET 39 HT2 MET 39 31.166 12.713 -5.271 3 H3 MET 39 HT3 MET 39 31.813 12.561 -6.835 4 HA MET 39 HA MET 39 33.209 12.802 -4.469 5 HB2 MET 39 HB2 MET 39 34.057 13.108 -7.363 6 HB3 MET 39 HB3 MET 39 35.166 12.828 -6.021 7 HG2 MET 39 HG2 MET 39 33.875 10.736 -5.480 8 HG3 MET 39 HG3 MET 39 32.952 10.985 -6.960 9 HE1 MET 39 HE1 MET 39 35.723 12.026 -9.074 10 HE2 MET 39 HE2 MET 39 33.992 11.719 -8.977 11 HE3 MET 39 HE3 MET 39 35.040 10.572 -9.809 12 H ASN 40 H ASN 40 33.497 15.057 -7.225 13 HA ASN 40 HA ASN 40 34.872 17.063 -5.858 14 HB2 ASN 40 HB2 ASN 40 32.982 17.292 -8.208 15 HB3 ASN 40 HB3 ASN 40 34.072 18.568 -7.672 16 HD21 ASN 40 HD21 ASN 40 34.217 17.265 -10.285 17 HD22 ASN 40 HD22 ASN 40 35.714 16.467 -10.358 18 H GLY 41 H GLY 41 31.395 16.489 -6.144 19 HA2 GLY 41 HA2 GLY 41 30.405 18.902 -5.181 20 HA3 GLY 41 HA3 GLY 41 29.615 17.345 -4.966 21 H GLU 42 H GLU 42 31.781 16.179 -3.401 22 HA GLU 42 HA GLU 42 30.912 16.852 -0.820 23 HB2 GLU 42 HB2 GLU 42 33.470 15.499 -1.706 24 HB3 GLU 42 HB3 GLU 42 32.872 15.536 -0.047 25 HG2 GLU 42 HG2 GLU 42 30.770 14.446 -0.810 26 HG3 GLU 42 HG3 GLU 42 31.435 14.344 -2.434 27 H ASN 43 H ASN 43 33.642 18.055 -2.719 28 HA ASN 43 HA ASN 43 34.433 19.798 -0.473 29 HB2 ASN 43 HB2 ASN 43 35.868 19.068 -3.034 30 HB3 ASN 43 HB3 ASN 43 36.483 20.194 -1.828 31 HD21 ASN 43 HD21 ASN 43 37.809 17.702 -2.543 32 HD22 ASN 43 HD22 ASN 43 37.803 16.715 -1.162 33 H TYR 44 H TYR 44 33.925 21.884 -0.509 34 HA TYR 44 HA TYR 44 33.146 23.124 -3.087 35 HB2 TYR 44 HB2 TYR 44 31.543 24.462 -1.893 36 HB3 TYR 44 HB3 TYR 44 31.248 22.767 -1.559 37 HD1 TYR 44 HD2 TYR 44 31.909 21.805 0.659 38 HD2 TYR 44 HD1 TYR 44 32.115 26.014 -0.171 39 HE1 TYR 44 HE2 TYR 44 32.029 22.279 3.091 40 HE2 TYR 44 HE1 TYR 44 32.234 26.488 2.260 41 HH TYR 44 HH TYR 44 32.637 23.994 4.581 42 H PHE 45 H PHE 45 35.833 23.084 -1.871 43 HA PHE 45 HA PHE 45 36.437 25.468 -0.522 44 HB2 PHE 45 HB2 PHE 45 38.105 23.793 -2.395 45 HB3 PHE 45 HB3 PHE 45 38.742 25.131 -1.457 46 HD1 PHE 45 HD2 PHE 45 38.731 24.999 1.054 47 HD2 PHE 45 HD1 PHE 45 37.714 21.651 -1.436 48 HE1 PHE 45 HE2 PHE 45 39.080 23.467 2.973 49 HE2 PHE 45 HE1 PHE 45 38.063 20.117 0.483 50 HZ PHE 45 HZ PHE 45 38.745 21.026 2.687 51 H LYS 46 H LYS 46 36.093 24.795 -3.976 52 HA LYS 46 HA LYS 46 37.066 27.416 -4.741 53 HB2 LYS 46 HB2 LYS 46 35.742 25.212 -6.339 54 HB3 LYS 46 HB3 LYS 46 36.411 26.692 -7.029 55 HG2 LYS 46 HG2 LYS 46 38.625 26.112 -6.038 56 HG3 LYS 46 HG3 LYS 46 37.941 24.587 -5.475 57 HD2 LYS 46 HD2 LYS 46 37.351 24.027 -7.838 58 HD3 LYS 46 HD3 LYS 46 38.178 25.497 -8.356 59 HE2 LYS 46 HE2 LYS 46 39.618 23.512 -6.619 60 HE3 LYS 46 HE3 LYS 46 39.493 23.231 -8.356 61 HZ1 LYS 46 HZ1 LYS 46 40.815 24.983 -8.833 62 HZ2 LYS 46 HZ2 LYS 46 41.432 24.654 -7.284 63 HZ3 LYS 46 HZ3 LYS 46 40.298 25.899 -7.503 64 H LEU 47 H LEU 47 35.869 29.183 -4.584 65 HA LEU 47 HA LEU 47 33.082 29.197 -4.072 66 HB2 LEU 47 HB2 LEU 47 34.840 31.439 -5.099 67 HB3 LEU 47 HB3 LEU 47 33.245 31.624 -4.370 68 HG LEU 47 HG LEU 47 35.643 30.397 -2.976 69 HD11 LEU 47 HD11 LEU 47 35.805 32.874 -3.458 70 HD12 LEU 47 HD12 LEU 47 35.803 32.465 -1.743 71 HD13 LEU 47 HD13 LEU 47 34.338 33.091 -2.502 72 HD21 LEU 47 HD21 LEU 47 32.793 30.985 -2.177 73 HD22 LEU 47 HD22 LEU 47 34.072 30.899 -0.966 74 HD23 LEU 47 HD23 LEU 47 33.709 29.492 -1.966 75 H GLY 48 H GLY 48 34.960 29.482 -7.044 76 HA2 GLY 48 HA2 GLY 48 33.078 30.566 -8.768 77 HA3 GLY 48 HA3 GLY 48 34.330 29.430 -9.255 78 H SER 49 H SER 49 33.334 27.252 -7.577 79 HA SER 49 HA SER 49 30.909 26.547 -9.135 80 HB2 SER 49 HB2 SER 49 33.114 24.725 -8.145 81 HB3 SER 49 HB3 SER 49 31.684 24.223 -9.038 82 HG SER 49 HG SER 49 33.923 25.508 -9.899 83 H ASP 50 H ASP 50 29.247 25.498 -8.104 84 HA ASP 50 HA ASP 50 29.517 24.845 -5.259 85 HB2 ASP 50 HB2 ASP 50 28.731 27.209 -5.381 86 HB3 ASP 50 HB3 ASP 50 27.333 26.663 -6.305 87 H SER 51 H SER 51 29.237 22.680 -5.790 88 HA SER 51 HA SER 51 27.311 21.667 -7.571 89 HB2 SER 51 HB2 SER 51 27.752 19.500 -6.519 90 HB3 SER 51 HB3 SER 51 29.253 20.378 -6.791 91 HG SER 51 HG SER 51 27.861 20.530 -4.390 92 H LYS 52 H LYS 52 27.075 22.511 -4.156 93 HA LYS 52 HA LYS 52 24.219 21.705 -4.211 94 HB2 LYS 52 HB2 LYS 52 26.148 21.781 -1.879 95 HB3 LYS 52 HB3 LYS 52 24.417 21.468 -1.743 96 HG2 LYS 52 HG2 LYS 52 24.682 19.529 -3.288 97 HG3 LYS 52 HG3 LYS 52 26.423 19.807 -3.297 98 HD2 LYS 52 HD2 LYS 52 26.437 19.540 -0.813 99 HD3 LYS 52 HD3 LYS 52 24.723 19.128 -0.881 100 HE2 LYS 52 HE2 LYS 52 25.326 17.276 -2.495 101 HE3 LYS 52 HE3 LYS 52 27.020 17.612 -2.140 102 HZ1 LYS 52 HZ1 LYS 52 25.739 17.439 0.300 103 HZ2 LYS 52 HZ2 LYS 52 26.813 16.312 -0.378 104 HZ3 LYS 52 HZ3 LYS 52 25.140 16.144 -0.617 105 H LEU 53 H LEU 53 22.743 23.229 -3.801 106 HA LEU 53 HA LEU 53 23.451 25.972 -3.705 107 HB2 LEU 53 HB2 LEU 53 20.853 24.518 -3.213 108 HB3 LEU 53 HB3 LEU 53 20.989 26.276 -3.152 109 HG LEU 53 HG LEU 53 22.136 26.011 -5.489 110 HD11 LEU 53 HD11 LEU 53 20.803 23.352 -5.036 111 HD12 LEU 53 HD12 LEU 53 22.380 23.693 -5.746 112 HD13 LEU 53 HD13 LEU 53 20.911 24.021 -6.664 113 HD21 LEU 53 HD21 LEU 53 19.778 26.916 -4.815 114 HD22 LEU 53 HD22 LEU 53 19.191 25.381 -5.456 115 HD23 LEU 53 HD23 LEU 53 20.072 26.494 -6.502 116 H LEU 54 H LEU 54 22.579 23.637 -1.202 117 HA LEU 54 HA LEU 54 22.576 25.707 0.857 118 HB2 LEU 54 HB2 LEU 54 22.206 22.713 1.111 119 HB3 LEU 54 HB3 LEU 54 21.921 23.908 2.374 120 HG LEU 54 HG LEU 54 20.458 23.820 -0.281 121 HD11 LEU 54 HD11 LEU 54 18.572 22.957 0.962 122 HD12 LEU 54 HD12 LEU 54 19.443 23.116 2.487 123 HD13 LEU 54 HD13 LEU 54 19.956 21.918 1.299 124 HD21 LEU 54 HD21 LEU 54 20.411 26.062 0.472 125 HD22 LEU 54 HD22 LEU 54 20.307 25.582 2.166 126 HD23 LEU 54 HD23 LEU 54 18.912 25.382 1.105 127 H THR 55 H THR 55 24.094 25.914 2.464 128 HA THR 55 HA THR 55 26.444 24.133 2.372 129 HB THR 55 HB THR 55 26.971 26.167 1.091 130 HG1 THR 55 HG1 THR 55 28.775 25.720 1.999 131 HG21 THR 55 HG21 THR 55 26.902 28.345 2.045 132 HG22 THR 55 HG22 THR 55 26.613 27.709 3.665 133 HG23 THR 55 HG23 THR 55 25.347 27.613 2.441 134 H HIS 56 H HIS 56 27.597 23.942 4.318 135 HA HIS 56 HA HIS 56 26.036 24.703 6.704 136 HB2 HIS 56 HB2 HIS 56 28.126 22.566 6.311 137 HB3 HIS 56 HB3 HIS 56 27.326 22.918 7.831 138 HD1 HIS 56 HD1 HIS 56 26.811 21.293 4.506 139 HD2 HIS 56 HD2 HIS 56 24.601 22.038 7.962 140 HE1 HIS 56 HE1 HIS 56 24.719 19.880 4.335 141 H ASN 57 H ASN 57 28.132 26.407 5.231 142 HA ASN 57 HA ASN 57 30.510 26.570 6.672 143 HB2 ASN 57 HB2 ASN 57 29.892 27.811 4.549 144 HB3 ASN 57 HB3 ASN 57 29.020 28.953 5.571 145 HD21 ASN 57 HD21 ASN 57 30.590 30.650 4.917 146 HD22 ASN 57 HD22 ASN 57 32.140 30.682 5.606 147 H SER 58 H SER 58 27.332 27.938 7.404 148 HA SER 58 HA SER 58 28.395 28.893 10.004 149 HB2 SER 58 HB2 SER 58 26.028 29.939 8.431 150 HB3 SER 58 HB3 SER 58 26.580 30.541 9.991 151 HG SER 58 HG SER 58 27.514 31.066 7.558 152 H TYR 59 H TYR 59 27.203 28.476 11.857 153 HA TYR 59 HA TYR 59 24.966 26.551 11.575 154 HB2 TYR 59 HB2 TYR 59 27.053 25.436 12.288 155 HB3 TYR 59 HB3 TYR 59 27.154 26.527 13.656 156 HD1 TYR 59 HD1 TYR 59 25.239 23.744 12.139 157 HD2 TYR 59 HD2 TYR 59 25.814 26.188 15.624 158 HE1 TYR 59 HE1 TYR 59 23.834 22.188 13.462 159 HE2 TYR 59 HE2 TYR 59 24.408 24.632 16.948 160 HH TYR 59 HH TYR 59 23.789 21.826 16.396 161 H GLN 60 H GLN 60 23.194 26.963 12.765 162 HA GLN 60 HA GLN 60 23.315 29.197 14.711 163 HB2 GLN 60 HB2 GLN 60 20.957 28.293 13.040 164 HB3 GLN 60 HB3 GLN 60 20.989 29.665 14.145 165 HG2 GLN 60 HG2 GLN 60 22.684 29.359 11.649 166 HG3 GLN 60 HG3 GLN 60 21.286 30.415 11.822 167 HE21 GLN 60 HE21 GLN 60 24.425 30.816 11.528 168 HE22 GLN 60 HE22 GLN 60 24.737 32.025 12.678 169 H ASN 61 H ASN 61 22.110 28.998 16.628 170 HA ASN 61 HA ASN 61 21.042 26.312 17.231 171 HB2 ASN 61 HB2 ASN 61 22.160 26.344 19.406 172 HB3 ASN 61 HB3 ASN 61 23.337 26.433 18.099 173 HD21 ASN 61 HD21 ASN 61 23.850 27.385 20.800 174 HD22 ASN 61 HD22 ASN 61 24.085 29.064 20.706 175 H ARG 62 H ARG 62 19.024 26.481 17.886 176 HA ARG 62 HA ARG 62 18.237 28.779 19.578 177 HB2 ARG 62 HB2 ARG 62 16.622 27.484 17.366 178 HB3 ARG 62 HB3 ARG 62 16.018 28.715 18.477 179 HG2 ARG 62 HG2 ARG 62 17.808 30.259 17.693 180 HG3 ARG 62 HG3 ARG 62 18.314 29.039 16.523 181 HD2 ARG 62 HD2 ARG 62 15.969 29.071 15.596 182 HD3 ARG 62 HD3 ARG 62 15.635 30.444 16.649 183 HE ARG 62 HE ARG 62 17.974 30.827 15.012 184 HH11 ARG 62 HH11 ARG 62 14.475 31.107 15.031 185 HH12 ARG 62 HH12 ARG 62 14.465 32.307 13.781 186 HH21 ARG 62 HH21 ARG 62 17.898 32.372 13.407 187 HH22 ARG 62 HH22 ARG 62 16.380 33.012 12.874 188 H LEU 63 H LEU 63 16.581 28.315 21.139 189 HA LEU 63 HA LEU 63 16.485 25.443 21.845 190 HB2 LEU 63 HB2 LEU 63 17.489 27.020 23.500 191 HB3 LEU 63 HB3 LEU 63 15.935 27.847 23.599 192 HG LEU 63 HG LEU 63 14.902 25.609 24.204 193 HD11 LEU 63 HD11 LEU 63 17.835 24.899 24.227 194 HD12 LEU 63 HD12 LEU 63 16.501 24.027 23.472 195 HD13 LEU 63 HD13 LEU 63 16.676 24.022 25.226 196 HD21 LEU 63 HD21 LEU 63 17.063 26.536 26.114 197 HD22 LEU 63 HD22 LEU 63 15.515 25.799 26.526 198 HD23 LEU 63 HD23 LEU 63 15.565 27.427 25.849 199 H PHE 64 H PHE 64 14.634 24.408 21.492 200 HA PHE 64 HA PHE 64 12.147 25.942 21.196 201 HB2 PHE 64 HB2 PHE 64 12.793 23.044 20.641 202 HB3 PHE 64 HB3 PHE 64 11.221 23.780 20.396 203 HD1 PHE 64 HD2 PHE 64 10.922 25.525 18.634 204 HD2 PHE 64 HD1 PHE 64 14.593 23.344 19.096 205 HE1 PHE 64 HE2 PHE 64 11.623 26.226 16.361 206 HE2 PHE 64 HE1 PHE 64 15.295 24.044 16.822 207 HZ PHE 64 HZ PHE 64 13.809 25.484 15.455 208 H TYR 65 H TYR 65 10.626 25.995 22.760 209 HA TYR 65 HA TYR 65 10.707 23.899 24.862 210 HB2 TYR 65 HB2 TYR 65 11.441 26.221 25.587 211 HB3 TYR 65 HB3 TYR 65 9.799 26.747 25.264 212 HD1 TYR 65 HD2 TYR 65 11.935 24.620 27.393 213 HD2 TYR 65 HD1 TYR 65 7.979 26.167 26.758 214 HE1 TYR 65 HE2 TYR 65 11.273 23.856 29.657 215 HE2 TYR 65 HE1 TYR 65 7.317 25.401 29.023 216 HH TYR 65 HH TYR 65 8.121 24.562 30.975 217 H THR 66 H THR 66 8.744 23.050 25.507 218 HA THR 66 HA THR 66 6.454 23.722 23.757 219 HB THR 66 HB THR 66 6.949 21.181 25.325 220 HG1 THR 66 HG1 THR 66 8.392 21.610 23.572 221 HG21 THR 66 HG21 THR 66 4.586 21.634 24.836 222 HG22 THR 66 HG22 THR 66 5.171 20.297 23.845 223 HG23 THR 66 HG23 THR 66 4.978 21.900 23.137 224 H LEU 67 H LEU 67 4.470 24.162 24.611 225 HA LEU 67 HA LEU 67 4.398 24.981 27.392 226 HB2 LEU 67 HB2 LEU 67 2.405 25.140 25.125 227 HB3 LEU 67 HB3 LEU 67 2.063 25.728 26.749 228 HG LEU 67 HG LEU 67 4.450 26.634 25.118 229 HD11 LEU 67 HD11 LEU 67 2.669 27.499 23.871 230 HD12 LEU 67 HD12 LEU 67 2.950 28.790 25.040 231 HD13 LEU 67 HD13 LEU 67 1.625 27.652 25.284 232 HD21 LEU 67 HD21 LEU 67 4.911 27.127 27.360 233 HD22 LEU 67 HD22 LEU 67 3.211 27.375 27.759 234 HD23 LEU 67 HD23 LEU 67 4.089 28.596 26.839 235 H LYS 68 H LYS 68 3.846 23.658 28.974 236 HA LYS 68 HA LYS 68 2.095 21.348 28.397 237 HB2 LYS 68 HB2 LYS 68 4.041 21.837 30.666 238 HB3 LYS 68 HB3 LYS 68 3.009 20.415 30.512 239 HG2 LYS 68 HG2 LYS 68 4.061 19.937 28.300 240 HG3 LYS 68 HG3 LYS 68 5.155 21.297 28.560 241 HD2 LYS 68 HD2 LYS 68 5.935 20.210 30.672 242 HD3 LYS 68 HD3 LYS 68 4.929 18.815 30.285 243 HE2 LYS 68 HE2 LYS 68 6.178 18.394 28.257 244 HE3 LYS 68 HE3 LYS 68 7.086 19.892 28.452 245 HZ1 LYS 68 HZ1 LYS 68 7.330 17.364 29.906 246 HZ2 LYS 68 HZ2 LYS 68 7.651 18.802 30.752 247 HZ3 LYS 68 HZ3 LYS 68 8.541 18.417 29.357 248 H THR 69 H THR 69 0.283 20.964 29.680 249 HA THR 69 HA THR 69 -1.175 23.175 30.551 250 HB THR 69 HB THR 69 -2.241 21.052 29.987 251 HG1 THR 69 HG1 THR 69 -3.488 20.939 31.964 252 HG21 THR 69 HG21 THR 69 -0.408 19.637 30.992 253 HG22 THR 69 HG22 THR 69 -2.040 19.101 31.388 254 HG23 THR 69 HG23 THR 69 -1.091 19.991 32.579 255 H GLY 70 H GLY 70 -1.364 24.269 32.414 256 HA2 GLY 70 HA2 GLY 70 -1.323 24.399 34.819 257 HA3 GLY 70 HA3 GLY 70 -0.015 23.227 34.824 258 H GLU 71 H GLU 71 1.290 24.775 32.513 259 HA GLU 71 HA GLU 71 2.511 26.857 34.222 260 HB2 GLU 71 HB2 GLU 71 3.963 24.978 33.368 261 HB3 GLU 71 HB3 GLU 71 3.677 25.589 31.738 262 HG2 GLU 71 HG2 GLU 71 4.556 27.808 32.450 263 HG3 GLU 71 HG3 GLU 71 4.920 27.131 34.032 264 H THR 72 H THR 72 2.838 28.930 33.418 265 HA THR 72 HA THR 72 1.280 29.592 30.983 266 HB THR 72 HB THR 72 0.856 31.770 31.994 267 HG1 THR 72 HG1 THR 72 1.536 31.854 34.263 268 HG21 THR 72 HG21 THR 72 -0.588 31.045 33.842 269 HG22 THR 72 HG22 THR 72 0.276 29.510 33.930 270 HG23 THR 72 HG23 THR 72 -0.686 29.900 32.504 271 H VAL 73 H VAL 73 2.026 31.471 29.772 272 HA VAL 73 HA VAL 73 4.728 31.289 29.041 273 HB VAL 73 HB VAL 73 2.827 33.612 28.614 274 HG11 VAL 73 HG11 VAL 73 5.145 34.229 28.139 275 HG12 VAL 73 HG12 VAL 73 4.266 34.038 26.622 276 HG13 VAL 73 HG13 VAL 73 5.361 32.770 27.172 277 HG21 VAL 73 HG21 VAL 73 2.308 32.520 26.485 278 HG22 VAL 73 HG22 VAL 73 1.961 31.415 27.816 279 HG23 VAL 73 HG23 VAL 73 3.428 31.210 26.859 280 H ALA 74 H ALA 74 3.054 33.568 31.193 281 HA ALA 74 HA ALA 74 5.211 35.300 31.672 282 HB1 ALA 74 HB1 ALA 74 2.649 35.334 32.422 283 HB2 ALA 74 HB2 ALA 74 3.886 36.253 33.280 284 HB3 ALA 74 HB3 ALA 74 3.343 34.699 33.913 285 H ASP 75 H ASP 75 4.318 32.226 33.204 286 HA ASP 75 HA ASP 75 6.137 32.330 35.354 287 HB2 ASP 75 HB2 ASP 75 5.039 29.952 33.837 288 HB3 ASP 75 HB3 ASP 75 5.918 29.846 35.360 289 H LEU 76 H LEU 76 6.465 31.005 32.072 290 HA LEU 76 HA LEU 76 9.072 29.998 32.313 291 HB2 LEU 76 HB2 LEU 76 7.578 31.130 29.943 292 HB3 LEU 76 HB3 LEU 76 9.178 30.403 29.806 293 HG LEU 76 HG LEU 76 6.946 28.916 31.176 294 HD11 LEU 76 HD11 LEU 76 6.509 27.820 28.964 295 HD12 LEU 76 HD12 LEU 76 7.532 29.037 28.200 296 HD13 LEU 76 HD13 LEU 76 6.034 29.519 28.996 297 HD21 LEU 76 HD21 LEU 76 9.384 28.202 31.271 298 HD22 LEU 76 HD22 LEU 76 9.299 27.947 29.529 299 HD23 LEU 76 HD23 LEU 76 8.283 26.994 30.610 300 H SER 77 H SER 77 7.922 33.222 31.420 301 HA SER 77 HA SER 77 10.392 34.350 30.710 302 HB2 SER 77 HB2 SER 77 8.128 35.355 30.301 303 HB3 SER 77 HB3 SER 77 8.063 35.775 32.010 304 HG SER 77 HG SER 77 10.222 36.508 30.432 305 H LYS 78 H LYS 78 8.762 34.164 33.853 306 HA LYS 78 HA LYS 78 10.560 35.799 35.279 307 HB2 LYS 78 HB2 LYS 78 8.313 35.091 36.094 308 HB3 LYS 78 HB3 LYS 78 8.956 33.468 36.352 309 HG2 LYS 78 HG2 LYS 78 10.675 34.422 37.879 310 HG3 LYS 78 HG3 LYS 78 9.942 36.014 37.672 311 HD2 LYS 78 HD2 LYS 78 7.780 35.069 38.516 312 HD3 LYS 78 HD3 LYS 78 8.623 33.557 38.860 313 HE2 LYS 78 HE2 LYS 78 9.996 34.568 40.507 314 HE3 LYS 78 HE3 LYS 78 9.598 36.195 39.957 315 HZ1 LYS 78 HZ1 LYS 78 8.000 36.200 41.472 316 HZ2 LYS 78 HZ2 LYS 78 8.240 34.557 41.833 317 HZ3 LYS 78 HZ3 LYS 78 7.193 35.008 40.574 318 H SER 79 H SER 79 10.490 32.277 34.803 319 HA SER 79 HA SER 79 12.657 31.658 36.489 320 HB2 SER 79 HB2 SER 79 11.028 30.003 35.558 321 HB3 SER 79 HB3 SER 79 11.814 30.175 33.992 322 HG SER 79 HG SER 79 12.646 28.887 36.220 323 H GLN 80 H GLN 80 12.547 32.381 33.019 324 HA GLN 80 HA GLN 80 15.379 32.007 32.673 325 HB2 GLN 80 HB2 GLN 80 13.354 33.280 30.828 326 HB3 GLN 80 HB3 GLN 80 14.984 32.778 30.389 327 HG2 GLN 80 HG2 GLN 80 12.772 30.955 31.378 328 HG3 GLN 80 HG3 GLN 80 13.345 31.074 29.718 329 HE21 GLN 80 HE21 GLN 80 13.525 28.976 32.163 330 HE22 GLN 80 HE22 GLN 80 15.119 28.415 31.996 331 H ASP 81 H ASP 81 13.719 34.551 34.098 332 HA ASP 81 HA ASP 81 14.275 36.724 34.587 333 HB2 ASP 81 HB2 ASP 81 16.399 35.578 35.274 334 HB3 ASP 81 HB3 ASP 81 17.046 35.926 33.671 335 H ILE 82 H ILE 82 13.136 36.271 32.093 336 HA ILE 82 HA ILE 82 14.512 38.243 30.361 337 HB ILE 82 HB ILE 82 12.571 36.061 29.545 338 HG12 ILE 82 HG12 ILE 82 15.557 36.271 29.052 339 HG13 ILE 82 HG13 ILE 82 14.833 35.250 30.296 340 HG21 ILE 82 HG21 ILE 82 12.508 38.066 28.102 341 HG22 ILE 82 HG22 ILE 82 13.236 36.702 27.255 342 HG23 ILE 82 HG23 ILE 82 14.259 37.981 27.909 343 HD11 ILE 82 HD11 ILE 82 14.505 35.032 27.298 344 HD12 ILE 82 HD12 ILE 82 13.441 34.198 28.431 345 HD13 ILE 82 HD13 ILE 82 15.166 33.829 28.405 346 H ASN 83 H ASN 83 13.241 39.868 29.405 347 HA ASN 83 HA ASN 83 10.931 40.634 30.978 348 HB2 ASN 83 HB2 ASN 83 12.211 41.976 28.586 349 HB3 ASN 83 HB3 ASN 83 10.983 42.688 29.631 350 HD21 ASN 83 HD21 ASN 83 11.903 41.910 32.178 351 HD22 ASN 83 HD22 ASN 83 13.421 42.614 32.465 352 H LEU 84 H LEU 84 8.821 40.657 30.345 353 HA LEU 84 HA LEU 84 7.918 38.818 28.442 354 HB2 LEU 84 HB2 LEU 84 6.464 41.246 29.524 355 HB3 LEU 84 HB3 LEU 84 5.710 39.870 28.722 356 HG LEU 84 HG LEU 84 7.351 39.684 31.266 357 HD11 LEU 84 HD11 LEU 84 4.404 39.970 30.736 358 HD12 LEU 84 HD12 LEU 84 5.392 40.756 31.968 359 HD13 LEU 84 HD13 LEU 84 4.955 39.056 32.141 360 HD21 LEU 84 HD21 LEU 84 5.717 37.703 29.659 361 HD22 LEU 84 HD22 LEU 84 6.198 37.407 31.331 362 HD23 LEU 84 HD23 LEU 84 7.427 37.600 30.080 363 H SER 85 H SER 85 8.546 42.289 28.131 364 HA SER 85 HA SER 85 7.342 42.695 25.624 365 HB2 SER 85 HB2 SER 85 8.208 44.498 27.138 366 HB3 SER 85 HB3 SER 85 9.842 44.042 26.668 367 HG SER 85 HG SER 85 7.818 45.141 25.128 368 H THR 86 H THR 86 10.617 41.630 26.496 369 HA THR 86 HA THR 86 11.688 41.609 23.884 370 HB THR 86 HB THR 86 12.434 39.794 26.190 371 HG1 THR 86 HG1 THR 86 13.046 42.423 25.587 372 HG21 THR 86 HG21 THR 86 14.020 40.819 23.818 373 HG22 THR 86 HG22 THR 86 13.393 39.180 23.991 374 HG23 THR 86 HG23 THR 86 14.633 39.770 25.097 375 H ILE 87 H ILE 87 10.054 39.080 25.771 376 HA ILE 87 HA ILE 87 10.436 36.951 23.987 377 HB ILE 87 HB ILE 87 8.069 37.443 25.817 378 HG12 ILE 87 HG12 ILE 87 10.628 35.893 26.325 379 HG13 ILE 87 HG13 ILE 87 10.335 37.529 26.915 380 HG21 ILE 87 HG21 ILE 87 9.207 34.859 24.701 381 HG22 ILE 87 HG22 ILE 87 7.741 35.644 24.115 382 HG23 ILE 87 HG23 ILE 87 7.806 35.012 25.760 383 HD11 ILE 87 HD11 ILE 87 9.791 35.859 28.648 384 HD12 ILE 87 HD12 ILE 87 8.634 35.100 27.555 385 HD13 ILE 87 HD13 ILE 87 8.348 36.738 28.143 386 H TRP 88 H TRP 88 7.798 39.316 24.213 387 HA TRP 88 HA TRP 88 6.217 38.318 22.123 388 HB2 TRP 88 HB2 TRP 88 5.461 40.027 23.722 389 HB3 TRP 88 HB3 TRP 88 6.560 41.186 22.997 390 HD1 TRP 88 HD1 TRP 88 3.381 39.184 22.221 391 HE1 TRP 88 HE1 TRP 88 2.094 40.388 20.343 392 HE3 TRP 88 HE3 TRP 88 6.747 42.841 21.054 393 HZ2 TRP 88 HZ2 TRP 88 2.446 42.613 18.573 394 HZ3 TRP 88 HZ3 TRP 88 6.248 44.485 19.272 395 HH2 TRP 88 HH2 TRP 88 4.107 44.378 18.031 396 H SER 89 H SER 89 8.824 40.757 22.034 397 HA SER 89 HA SER 89 8.525 41.565 19.396 398 HB2 SER 89 HB2 SER 89 10.797 42.364 19.517 399 HB3 SER 89 HB3 SER 89 10.047 42.597 21.092 400 HG SER 89 HG SER 89 11.452 41.248 21.841 401 H LEU 90 H LEU 90 10.316 38.773 20.669 402 HA LEU 90 HA LEU 90 11.392 38.019 18.129 403 HB2 LEU 90 HB2 LEU 90 10.981 36.345 20.617 404 HB3 LEU 90 HB3 LEU 90 12.015 35.931 19.250 405 HG LEU 90 HG LEU 90 12.350 38.403 20.975 406 HD11 LEU 90 HD11 LEU 90 14.228 36.052 20.896 407 HD12 LEU 90 HD12 LEU 90 12.825 36.026 21.963 408 HD13 LEU 90 HD13 LEU 90 14.046 37.285 22.145 409 HD21 LEU 90 HD21 LEU 90 13.250 38.828 18.801 410 HD22 LEU 90 HD22 LEU 90 13.917 37.201 18.682 411 HD23 LEU 90 HD23 LEU 90 14.628 38.365 19.799 412 H ASN 91 H ASN 91 8.703 36.676 20.074 413 HA ASN 91 HA ASN 91 8.006 34.885 17.891 414 HB2 ASN 91 HB2 ASN 91 6.841 35.243 20.650 415 HB3 ASN 91 HB3 ASN 91 6.295 34.035 19.488 416 HD21 ASN 91 HD21 ASN 91 9.419 35.167 20.924 417 HD22 ASN 91 HD22 ASN 91 10.071 33.605 21.062 418 H LYS 92 H LYS 92 7.311 38.056 18.249 419 HA LYS 92 HA LYS 92 4.590 38.360 18.047 420 HB2 LYS 92 HB2 LYS 92 5.048 40.412 16.768 421 HB3 LYS 92 HB3 LYS 92 6.106 40.246 18.163 422 HG2 LYS 92 HG2 LYS 92 7.716 40.763 16.620 423 HG3 LYS 92 HG3 LYS 92 7.657 39.028 16.325 424 HD2 LYS 92 HD2 LYS 92 6.127 39.368 14.440 425 HD3 LYS 92 HD3 LYS 92 6.058 41.096 14.784 426 HE2 LYS 92 HE2 LYS 92 8.617 41.074 14.501 427 HE3 LYS 92 HE3 LYS 92 8.398 39.483 13.771 428 HZ1 LYS 92 HZ1 LYS 92 6.973 41.928 12.877 429 HZ2 LYS 92 HZ2 LYS 92 6.983 40.409 12.115 430 HZ3 LYS 92 HZ3 LYS 92 8.397 41.349 12.160 431 H HIS 93 H HIS 93 6.730 36.988 15.634 432 HA HIS 93 HA HIS 93 4.855 37.245 13.475 433 HB2 HIS 93 HB2 HIS 93 6.373 35.957 12.189 434 HB3 HIS 93 HB3 HIS 93 7.319 37.047 13.177 435 HD1 HIS 93 HD1 HIS 93 8.689 35.936 15.178 436 HD2 HIS 93 HD2 HIS 93 6.834 33.234 12.597 437 HE1 HIS 93 HE1 HIS 93 9.767 33.691 15.596 438 H LEU 94 H LEU 94 5.594 34.749 15.862 439 HA LEU 94 HA LEU 94 4.031 32.700 14.638 440 HB2 LEU 94 HB2 LEU 94 4.848 33.019 17.535 441 HB3 LEU 94 HB3 LEU 94 4.245 31.541 16.789 442 HG LEU 94 HG LEU 94 6.750 33.006 15.918 443 HD11 LEU 94 HD11 LEU 94 6.477 30.403 17.452 444 HD12 LEU 94 HD12 LEU 94 6.896 31.948 18.191 445 HD13 LEU 94 HD13 LEU 94 7.980 31.215 17.009 446 HD21 LEU 94 HD21 LEU 94 7.134 30.783 14.732 447 HD22 LEU 94 HD22 LEU 94 5.827 31.769 14.074 448 HD23 LEU 94 HD23 LEU 94 5.456 30.389 15.107 449 H TYR 95 H TYR 95 3.359 35.106 17.156 450 HA TYR 95 HA TYR 95 0.515 34.267 17.127 451 HB2 TYR 95 HB2 TYR 95 2.074 35.696 19.283 452 HB3 TYR 95 HB3 TYR 95 0.372 35.275 19.361 453 HD1 TYR 95 HD2 TYR 95 -0.300 32.846 19.388 454 HD2 TYR 95 HD1 TYR 95 3.781 34.119 19.805 455 HE1 TYR 95 HE2 TYR 95 0.297 30.627 20.317 456 HE2 TYR 95 HE1 TYR 95 4.378 31.898 20.734 457 HH TYR 95 HH TYR 95 3.454 29.593 20.700 458 H SER 96 H SER 96 -1.097 35.851 17.097 459 HA SER 96 HA SER 96 -0.479 38.038 15.360 460 HB2 SER 96 HB2 SER 96 -3.054 37.429 16.827 461 HB3 SER 96 HB3 SER 96 -2.863 38.518 15.457 462 HG SER 96 HG SER 96 -3.070 36.791 14.313 463 H SER 97 H SER 97 -1.312 37.781 18.805 464 HA SER 97 HA SER 97 -0.362 40.501 19.234 465 HB2 SER 97 HB2 SER 97 -2.408 41.334 20.186 466 HB3 SER 97 HB3 SER 97 -2.771 40.718 18.577 467 HG SER 97 HG SER 97 -3.281 39.548 21.046 468 H GLU 98 H GLU 98 -0.559 41.102 21.595 469 HA GLU 98 HA GLU 98 0.755 39.198 23.189 470 HB2 GLU 98 HB2 GLU 98 -0.772 41.687 23.987 471 HB3 GLU 98 HB3 GLU 98 0.296 40.777 25.056 472 HG2 GLU 98 HG2 GLU 98 2.164 41.143 23.463 473 HG3 GLU 98 HG3 GLU 98 1.098 42.114 22.458 474 H SER 99 H SER 99 -2.676 39.997 22.882 475 HA SER 99 HA SER 99 -3.632 38.835 25.235 476 HB2 SER 99 HB2 SER 99 -4.973 40.223 23.640 477 HB3 SER 99 HB3 SER 99 -5.030 38.839 22.553 478 HG SER 99 HG SER 99 -6.030 37.730 24.267 479 H GLU 100 H GLU 100 -3.057 37.358 22.052 480 HA GLU 100 HA GLU 100 -4.098 34.815 22.676 481 HB2 GLU 100 HB2 GLU 100 -1.989 35.648 20.678 482 HB3 GLU 100 HB3 GLU 100 -2.706 34.036 20.747 483 HG2 GLU 100 HG2 GLU 100 -4.958 35.051 20.479 484 HG3 GLU 100 HG3 GLU 100 -4.209 36.635 20.330 485 H MET 101 H MET 101 -0.894 36.215 23.205 486 HA MET 101 HA MET 101 0.419 33.800 23.906 487 HB2 MET 101 HB2 MET 101 0.986 36.660 24.713 488 HB3 MET 101 HB3 MET 101 2.072 35.302 25.007 489 HG2 MET 101 HG2 MET 101 2.067 34.848 22.535 490 HG3 MET 101 HG3 MET 101 1.143 36.333 22.314 491 HE1 MET 101 HE1 MET 101 4.335 34.594 23.193 492 HE2 MET 101 HE2 MET 101 4.157 35.372 24.764 493 HE3 MET 101 HE3 MET 101 5.480 35.842 23.700 494 H MET 102 H MET 102 -1.152 36.306 25.894 495 HA MET 102 HA MET 102 -0.585 35.170 28.401 496 HB2 MET 102 HB2 MET 102 -2.960 36.851 27.560 497 HB3 MET 102 HB3 MET 102 -2.470 36.548 29.223 498 HG2 MET 102 HG2 MET 102 -0.796 37.945 27.114 499 HG3 MET 102 HG3 MET 102 -1.640 38.734 28.442 500 HE1 MET 102 HE1 MET 102 -0.681 36.484 31.124 501 HE2 MET 102 HE2 MET 102 -1.584 37.920 30.647 502 HE3 MET 102 HE3 MET 102 -0.057 38.092 31.512 503 H LYS 103 H LYS 103 -3.239 34.585 26.149 504 HA LYS 103 HA LYS 103 -4.524 32.742 28.021 505 HB2 LYS 103 HB2 LYS 103 -5.323 33.702 25.269 506 HB3 LYS 103 HB3 LYS 103 -6.282 32.613 26.272 507 HG2 LYS 103 HG2 LYS 103 -6.303 34.344 28.068 508 HG3 LYS 103 HG3 LYS 103 -5.452 35.441 26.981 509 HD2 LYS 103 HD2 LYS 103 -7.323 35.201 25.342 510 HD3 LYS 103 HD3 LYS 103 -8.191 34.225 26.529 511 HE2 LYS 103 HE2 LYS 103 -8.084 36.124 28.132 512 HE3 LYS 103 HE3 LYS 103 -7.301 37.101 26.891 513 HZ1 LYS 103 HZ1 LYS 103 -9.276 36.637 25.467 514 HZ2 LYS 103 HZ2 LYS 103 -9.604 37.587 26.837 515 HZ3 LYS 103 HZ3 LYS 103 -10.030 35.942 26.818 516 H ALA 104 H ALA 104 -1.879 32.201 26.383 517 HA ALA 104 HA ALA 104 -2.292 30.265 24.453 518 HB1 ALA 104 HB1 ALA 104 -0.092 31.259 25.067 519 HB2 ALA 104 HB2 ALA 104 -0.042 29.502 24.925 520 HB3 ALA 104 HB3 ALA 104 -0.082 30.257 26.518 521 H ALA 105 H ALA 105 -2.392 28.029 24.451 522 HA ALA 105 HA ALA 105 -3.244 26.770 26.993 523 HB1 ALA 105 HB1 ALA 105 -4.230 25.766 24.358 524 HB2 ALA 105 HB2 ALA 105 -4.962 27.222 25.029 525 HB3 ALA 105 HB3 ALA 105 -5.005 25.713 25.942 526 HA PRO 106 HA PRO 106 -0.287 23.593 26.426 527 HB2 PRO 106 HB2 PRO 106 -2.258 21.387 26.353 528 HB3 PRO 106 HB3 PRO 106 -0.978 21.724 27.531 529 HG2 PRO 106 HG2 PRO 106 -3.568 22.067 28.096 530 HG3 PRO 106 HG3 PRO 106 -2.300 23.098 28.782 531 HD2 PRO 106 HD2 PRO 106 -4.214 23.704 26.560 532 HD3 PRO 106 HD3 PRO 106 -3.582 24.775 27.830 533 H GLY 107 H GLY 107 0.799 22.464 24.836 534 HA2 GLY 107 HA2 GLY 107 0.883 21.037 22.917 535 HA3 GLY 107 HA3 GLY 107 -0.695 21.636 22.436 536 H GLN 108 H GLN 108 0.641 24.455 23.192 537 HA GLN 108 HA GLN 108 1.453 24.946 20.435 538 HB2 GLN 108 HB2 GLN 108 1.014 26.808 22.774 539 HB3 GLN 108 HB3 GLN 108 1.522 27.340 21.169 540 HG2 GLN 108 HG2 GLN 108 -0.501 26.278 20.198 541 HG3 GLN 108 HG3 GLN 108 -1.024 25.828 21.820 542 HE21 GLN 108 HE21 GLN 108 -0.764 28.495 19.547 543 HE22 GLN 108 HE22 GLN 108 -1.556 29.640 20.518 544 H GLN 109 H GLN 109 3.416 26.087 19.906 545 HA GLN 109 HA GLN 109 5.643 25.279 21.685 546 HB2 GLN 109 HB2 GLN 109 5.561 25.661 18.684 547 HB3 GLN 109 HB3 GLN 109 7.012 25.279 19.611 548 HG2 GLN 109 HG2 GLN 109 6.002 23.197 20.396 549 HG3 GLN 109 HG3 GLN 109 4.500 23.584 19.564 550 HE21 GLN 109 HE21 GLN 109 5.959 21.190 18.982 551 HE22 GLN 109 HE22 GLN 109 6.561 21.306 17.398 552 H ILE 110 H ILE 110 7.306 26.675 22.090 553 HA ILE 110 HA ILE 110 7.064 29.451 21.102 554 HB ILE 110 HB ILE 110 7.901 28.536 23.871 555 HG12 ILE 110 HG12 ILE 110 5.499 30.170 23.004 556 HG13 ILE 110 HG13 ILE 110 5.439 28.437 23.322 557 HG21 ILE 110 HG21 ILE 110 7.688 31.298 22.634 558 HG22 ILE 110 HG22 ILE 110 9.159 30.507 23.202 559 HG23 ILE 110 HG23 ILE 110 7.917 30.992 24.356 560 HD11 ILE 110 HD11 ILE 110 6.111 28.773 25.625 561 HD12 ILE 110 HD12 ILE 110 4.750 29.842 25.286 562 HD13 ILE 110 HD13 ILE 110 6.387 30.491 25.341 563 H ILE 111 H ILE 111 8.943 30.360 20.347 564 HA ILE 111 HA ILE 111 11.350 28.632 20.396 565 HB ILE 111 HB ILE 111 10.672 30.872 18.470 566 HG12 ILE 111 HG12 ILE 111 10.686 27.886 17.948 567 HG13 ILE 111 HG13 ILE 111 9.215 28.774 18.342 568 HG21 ILE 111 HG21 ILE 111 12.560 29.511 17.203 569 HG22 ILE 111 HG22 ILE 111 12.991 28.994 18.833 570 HG23 ILE 111 HG23 ILE 111 12.998 30.708 18.420 571 HD11 ILE 111 HD11 ILE 111 11.001 29.119 15.932 572 HD12 ILE 111 HD12 ILE 111 9.820 30.339 16.405 573 HD13 ILE 111 HD13 ILE 111 9.285 28.717 15.967 574 H LEU 112 H LEU 112 13.126 29.322 21.397 575 HA LEU 112 HA LEU 112 13.271 32.153 22.259 576 HB2 LEU 112 HB2 LEU 112 14.328 29.665 23.623 577 HB3 LEU 112 HB3 LEU 112 14.617 31.318 24.169 578 HG LEU 112 HG LEU 112 11.804 30.358 23.705 579 HD11 LEU 112 HD11 LEU 112 13.386 30.034 26.274 580 HD12 LEU 112 HD12 LEU 112 12.927 28.710 25.203 581 HD13 LEU 112 HD13 LEU 112 11.683 29.639 26.040 582 HD21 LEU 112 HD21 LEU 112 12.980 32.318 25.696 583 HD22 LEU 112 HD22 LEU 112 11.278 32.109 25.287 584 HD23 LEU 112 HD23 LEU 112 12.394 32.784 24.100 585 HA PRO 113 HA PRO 113 17.143 31.530 19.930 586 HB2 PRO 113 HB2 PRO 113 16.962 33.545 18.166 587 HB3 PRO 113 HB3 PRO 113 16.021 32.057 17.939 588 HG2 PRO 113 HG2 PRO 113 15.135 34.723 18.859 589 HG3 PRO 113 HG3 PRO 113 14.259 33.494 17.931 590 HD2 PRO 113 HD2 PRO 113 14.062 33.963 20.728 591 HD3 PRO 113 HD3 PRO 113 13.356 32.608 19.821 592 H LEU 114 H LEU 114 16.993 32.651 22.455 593 HA LEU 114 HA LEU 114 18.555 35.163 22.224 594 HB2 LEU 114 HB2 LEU 114 16.334 35.412 23.338 595 HB3 LEU 114 HB3 LEU 114 16.863 34.261 24.566 596 HG LEU 114 HG LEU 114 18.852 35.785 24.980 597 HD11 LEU 114 HD11 LEU 114 18.939 37.103 23.006 598 HD12 LEU 114 HD12 LEU 114 18.356 38.205 24.254 599 HD13 LEU 114 HD13 LEU 114 17.223 37.500 23.101 600 HD21 LEU 114 HD21 LEU 114 16.070 36.912 25.434 601 HD22 LEU 114 HD22 LEU 114 17.519 37.395 26.315 602 HD23 LEU 114 HD23 LEU 114 16.895 35.753 26.475 603 H LYS 115 H LYS 115 20.630 34.918 22.708 604 HA LYS 115 HA LYS 115 21.368 33.196 24.967 605 HB2 LYS 115 HB2 LYS 115 22.609 33.025 22.213 606 HB3 LYS 115 HB3 LYS 115 23.267 32.255 23.658 607 HG2 LYS 115 HG2 LYS 115 21.105 31.047 23.956 608 HG3 LYS 115 HG3 LYS 115 20.538 31.745 22.440 609 HD2 LYS 115 HD2 LYS 115 22.484 30.697 21.276 610 HD3 LYS 115 HD3 LYS 115 22.927 29.914 22.794 611 HE2 LYS 115 HE2 LYS 115 20.134 29.602 21.734 612 HE3 LYS 115 HE3 LYS 115 21.433 28.617 21.064 613 HZ1 LYS 115 HZ1 LYS 115 20.226 28.548 23.704 614 HZ2 LYS 115 HZ2 LYS 115 21.912 28.347 23.657 615 HZ3 LYS 115 HZ3 LYS 115 20.905 27.293 22.786 616 H LYS 116 H LYS 116 22.852 34.108 26.252 617 HA LYS 116 HA LYS 116 24.064 36.643 25.358 618 HB2 LYS 116 HB2 LYS 116 23.634 35.503 28.129 619 HB3 LYS 116 HB3 LYS 116 24.434 37.038 27.787 620 HG2 LYS 116 HG2 LYS 116 22.373 37.811 26.614 621 HG3 LYS 116 HG3 LYS 116 21.576 36.309 27.088 622 HD2 LYS 116 HD2 LYS 116 22.033 36.869 29.478 623 HD3 LYS 116 HD3 LYS 116 22.694 38.418 28.956 624 HE2 LYS 116 HE2 LYS 116 20.549 39.034 27.956 625 HE3 LYS 116 HE3 LYS 116 19.875 37.461 28.384 626 HZ1 LYS 116 HZ1 LYS 116 19.180 38.744 30.130 627 HZ2 LYS 116 HZ2 LYS 116 20.567 39.724 30.122 628 HZ3 LYS 116 HZ3 LYS 116 20.641 38.149 30.755 629 H LEU 117 H LEU 117 26.251 37.010 25.504 630 HA LEU 117 HA LEU 117 27.965 34.706 26.230 631 HB2 LEU 117 HB2 LEU 117 27.645 35.243 23.697 632 HB3 LEU 117 HB3 LEU 117 28.710 36.608 24.029 633 HG LEU 117 HG LEU 117 30.253 34.864 25.165 634 HD11 LEU 117 HD11 LEU 117 28.716 32.996 25.246 635 HD12 LEU 117 HD12 LEU 117 30.005 32.586 24.113 636 HD13 LEU 117 HD13 LEU 117 28.429 33.098 23.509 637 HD21 LEU 117 HD21 LEU 117 31.258 34.280 22.961 638 HD22 LEU 117 HD22 LEU 117 30.815 35.984 23.059 639 HD23 LEU 117 HD23 LEU 117 29.795 34.857 22.165 640 HA PRO 118 HA PRO 118 29.447 38.462 28.432 641 HB2 PRO 118 HB2 PRO 118 29.700 37.443 30.916 642 HB3 PRO 118 HB3 PRO 118 28.123 37.932 30.264 643 HG2 PRO 118 HG2 PRO 118 29.269 35.218 30.591 644 HG3 PRO 118 HG3 PRO 118 27.595 35.772 30.765 645 HD2 PRO 118 HD2 PRO 118 28.645 34.486 28.511 646 HD3 PRO 118 HD3 PRO 118 27.131 35.413 28.560 647 H PHE 119 H PHE 119 31.084 36.755 26.813 648 HA PHE 119 HA PHE 119 33.437 36.238 28.517 649 HB2 PHE 119 HB2 PHE 119 32.378 34.588 26.736 650 HB3 PHE 119 HB3 PHE 119 33.340 35.536 25.619 651 HD1 PHE 119 HD1 PHE 119 33.462 33.351 28.610 652 HD2 PHE 119 HD2 PHE 119 35.727 35.275 25.508 653 HE1 PHE 119 HE1 PHE 119 35.451 32.004 29.227 654 HE2 PHE 119 HE2 PHE 119 37.716 33.925 26.126 655 HZ PHE 119 HZ PHE 119 37.577 32.292 27.984 656 H GLU 120 H GLU 120 35.102 37.600 28.492 657 HA GLU 120 HA GLU 120 34.997 40.076 27.166 658 HB2 GLU 120 HB2 GLU 120 36.288 39.599 29.250 659 HB3 GLU 120 HB3 GLU 120 37.462 38.717 28.273 660 HG2 GLU 120 HG2 GLU 120 37.817 40.769 26.907 661 HG3 GLU 120 HG3 GLU 120 36.716 41.638 27.966 662 H TYR 121 H TYR 121 36.592 37.044 26.293 663 HA TYR 121 HA TYR 121 37.913 38.295 24.011 664 HB2 TYR 121 HB2 TYR 121 39.057 36.559 25.369 665 HB3 TYR 121 HB3 TYR 121 37.843 35.401 24.864 666 HD1 TYR 121 HD1 TYR 121 40.690 37.481 23.752 667 HD2 TYR 121 HD2 TYR 121 37.894 34.406 22.668 668 HE1 TYR 121 HE1 TYR 121 42.035 36.971 21.733 669 HE2 TYR 121 HE2 TYR 121 39.240 33.896 20.647 670 HH TYR 121 HH TYR 121 42.340 35.239 20.141 671 H SER 122 H SER 122 37.212 38.209 21.952 672 HA SER 122 HA SER 122 34.840 36.526 21.360 673 HB2 SER 122 HB2 SER 122 34.082 38.279 19.844 674 HB3 SER 122 HB3 SER 122 34.302 38.940 21.460 675 HG SER 122 HG SER 122 36.260 39.745 20.743 676 H ALA 123 H ALA 123 34.870 35.330 19.537 677 HA ALA 123 HA ALA 123 37.338 34.869 18.180 678 HB1 ALA 123 HB1 ALA 123 36.030 33.335 16.783 679 HB2 ALA 123 HB2 ALA 123 34.536 33.989 17.453 680 HB3 ALA 123 HB3 ALA 123 35.654 33.103 18.490 681 H LEU 124 H LEU 124 34.451 36.753 17.442 682 HA LEU 124 HA LEU 124 35.493 37.414 14.777 683 HB2 LEU 124 HB2 LEU 124 33.060 36.698 15.289 684 HB3 LEU 124 HB3 LEU 124 32.868 38.346 15.890 685 HG LEU 124 HG LEU 124 33.879 39.112 13.662 686 HD11 LEU 124 HD11 LEU 124 33.289 37.299 11.852 687 HD12 LEU 124 HD12 LEU 124 33.488 36.169 13.192 688 HD13 LEU 124 HD13 LEU 124 34.830 37.204 12.704 689 HD21 LEU 124 HD21 LEU 124 31.232 37.633 13.545 690 HD22 LEU 124 HD22 LEU 124 31.718 38.999 12.543 691 HD23 LEU 124 HD23 LEU 124 31.447 39.226 14.270 692 HA PRO 125 HA PRO 125 37.198 41.135 16.992 693 HB2 PRO 125 HB2 PRO 125 37.551 41.825 14.095 694 HB3 PRO 125 HB3 PRO 125 38.662 42.074 15.457 695 HG2 PRO 125 HG2 PRO 125 38.993 40.077 13.725 696 HG3 PRO 125 HG3 PRO 125 39.389 39.908 15.443 697 HD2 PRO 125 HD2 PRO 125 37.164 38.697 13.921 698 HD3 PRO 125 HD3 PRO 125 37.896 38.181 15.453 699 H LEU 126 H LEU 126 34.791 40.919 14.445 700 HA LEU 126 HA LEU 126 33.837 43.640 14.981 701 HB2 LEU 126 HB2 LEU 126 33.981 42.795 12.635 702 HB3 LEU 126 HB3 LEU 126 32.767 41.581 13.036 703 HG LEU 126 HG LEU 126 31.267 43.493 13.782 704 HD11 LEU 126 HD11 LEU 126 32.786 45.289 14.088 705 HD12 LEU 126 HD12 LEU 126 31.914 45.697 12.610 706 HD13 LEU 126 HD13 LEU 126 33.541 45.024 12.516 707 HD21 LEU 126 HD21 LEU 126 32.168 43.396 10.885 708 HD22 LEU 126 HD22 LEU 126 30.647 44.091 11.447 709 HD23 LEU 126 HD23 LEU 126 30.947 42.362 11.626 710 H LEU 127 H LEU 127 32.230 44.041 16.364 711 HA LEU 127 HA LEU 127 31.130 42.059 18.023 712 HB2 LEU 127 HB2 LEU 127 30.041 44.822 17.433 713 HB3 LEU 127 HB3 LEU 127 29.626 43.821 18.824 714 HG LEU 127 HG LEU 127 32.425 44.796 18.177 715 HD11 LEU 127 HD11 LEU 127 31.141 46.704 18.834 716 HD12 LEU 127 HD12 LEU 127 32.014 46.189 20.276 717 HD13 LEU 127 HD13 LEU 127 30.305 45.794 20.092 718 HD21 LEU 127 HD21 LEU 127 32.692 44.089 20.660 719 HD22 LEU 127 HD22 LEU 127 32.634 42.809 19.448 720 HD23 LEU 127 HD23 LEU 127 31.204 43.174 20.413 721 H GLY 128 H GLY 128 29.855 43.632 15.117 722 HA2 GLY 128 HA2 GLY 128 28.326 42.742 13.591 723 HA3 GLY 128 HA3 GLY 128 28.021 41.413 14.704 724 H SER 129 H SER 129 26.958 42.198 16.846 725 HA SER 129 HA SER 129 24.779 44.090 16.170 726 HB2 SER 129 HB2 SER 129 24.664 41.643 17.950 727 HB3 SER 129 HB3 SER 129 23.334 42.751 17.633 728 HG SER 129 HG SER 129 23.135 41.866 15.735 729 H ALA 130 H ALA 130 24.002 45.425 17.843 730 HA ALA 130 HA ALA 130 25.825 45.703 20.165 731 HB1 ALA 130 HB1 ALA 130 26.159 47.545 18.608 732 HB2 ALA 130 HB2 ALA 130 25.343 48.136 20.056 733 HB3 ALA 130 HB3 ALA 130 24.426 47.866 18.574 734 HA PRO 131 HA PRO 131 21.545 45.058 21.772 735 HB2 PRO 131 HB2 PRO 131 22.194 43.495 23.902 736 HB3 PRO 131 HB3 PRO 131 21.965 42.842 22.267 737 HG2 PRO 131 HG2 PRO 131 24.482 43.435 23.729 738 HG3 PRO 131 HG3 PRO 131 24.095 42.092 22.639 739 HD2 PRO 131 HD2 PRO 131 25.560 44.291 21.875 740 HD3 PRO 131 HD3 PRO 131 24.617 43.291 20.751 741 H LEU 132 H LEU 132 20.744 46.700 22.936 742 HA LEU 132 HA LEU 132 22.277 48.489 24.457 743 HB2 LEU 132 HB2 LEU 132 19.305 47.942 24.654 744 HB3 LEU 132 HB3 LEU 132 20.133 49.387 25.234 745 HG LEU 132 HG LEU 132 20.108 48.463 22.345 746 HD11 LEU 132 HD11 LEU 132 18.486 50.527 23.849 747 HD12 LEU 132 HD12 LEU 132 17.892 49.191 22.862 748 HD13 LEU 132 HD13 LEU 132 18.678 50.571 22.096 749 HD21 LEU 132 HD21 LEU 132 21.255 50.848 23.803 750 HD22 LEU 132 HD22 LEU 132 20.887 50.918 22.080 751 HD23 LEU 132 HD23 LEU 132 22.068 49.754 22.683 752 H VAL 133 H VAL 133 20.411 45.641 25.430 753 HA VAL 133 HA VAL 133 20.642 46.055 28.230 754 HB VAL 133 HB VAL 133 20.010 43.677 28.417 755 HG11 VAL 133 HG11 VAL 133 17.882 43.852 27.076 756 HG12 VAL 133 HG12 VAL 133 18.537 45.313 26.336 757 HG13 VAL 133 HG13 VAL 133 18.224 45.268 28.071 758 HG21 VAL 133 HG21 VAL 133 20.342 43.698 25.398 759 HG22 VAL 133 HG22 VAL 133 19.631 42.381 26.331 760 HG23 VAL 133 HG23 VAL 133 21.332 42.793 26.543 761 H ALA 134 H ALA 134 22.209 45.540 29.656 762 HA ALA 134 HA ALA 134 24.409 43.792 28.846 763 HB1 ALA 134 HB1 ALA 134 24.716 46.714 29.518 764 HB2 ALA 134 HB2 ALA 134 25.355 45.835 28.129 765 HB3 ALA 134 HB3 ALA 134 26.038 45.568 29.733 766 H ALA 135 H ALA 135 25.639 42.999 30.610 767 HA ALA 135 HA ALA 135 24.805 43.747 33.311 768 HB1 ALA 135 HB1 ALA 135 24.069 41.606 33.962 769 HB2 ALA 135 HB2 ALA 135 24.738 40.841 32.522 770 HB3 ALA 135 HB3 ALA 135 23.305 41.861 32.394 771 H GLY 136 H GLY 136 26.268 43.059 34.935 772 HA2 GLY 136 HA2 GLY 136 28.828 41.935 33.953 773 HA3 GLY 136 HA3 GLY 136 28.792 43.355 34.994 774 H GLY 137 H GLY 137 26.883 42.716 36.836 775 HA2 GLY 137 HA2 GLY 137 26.277 41.149 38.508 776 HA3 GLY 137 HA3 GLY 137 27.589 40.106 37.974 777 H VAL 138 H VAL 138 29.636 42.118 37.948 778 HA VAL 138 HA VAL 138 29.893 42.702 40.845 779 HB VAL 138 HB VAL 138 32.110 41.954 38.920 780 HG11 VAL 138 HG11 VAL 138 33.045 43.328 40.608 781 HG12 VAL 138 HG12 VAL 138 33.320 41.685 41.185 782 HG13 VAL 138 HG13 VAL 138 32.003 42.645 41.857 783 HG21 VAL 138 HG21 VAL 138 32.216 39.868 40.306 784 HG22 VAL 138 HG22 VAL 138 30.719 40.006 39.383 785 HG23 VAL 138 HG23 VAL 138 30.729 40.370 41.109 786 H ALA 139 H ALA 139 30.368 44.747 41.382 787 HA ALA 139 HA ALA 139 30.256 46.824 39.463 788 HB1 ALA 139 HB1 ALA 139 31.021 46.722 42.374 789 HB2 ALA 139 HB2 ALA 139 29.573 47.412 41.637 790 HB3 ALA 139 HB3 ALA 139 31.130 48.220 41.450 791 H GLY 140 H GLY 140 32.960 45.272 41.148 792 HA2 GLY 140 HA2 GLY 140 35.193 45.152 40.579 793 HA3 GLY 140 HA3 GLY 140 34.794 45.932 39.053 794 H HIS 141 H HIS 141 34.110 47.271 42.250 795 HA HIS 141 HA HIS 141 35.134 49.814 41.659 796 HB2 HIS 141 HB2 HIS 141 33.534 49.326 43.477 797 HB3 HIS 141 HB3 HIS 141 34.810 48.515 44.365 798 HD1 HIS 141 HD1 HIS 141 36.517 49.984 45.599 799 HD2 HIS 141 HD2 HIS 141 33.751 52.186 43.390 800 HE1 HIS 141 HE1 HIS 141 36.797 52.399 46.304 801 H THR 142 H THR 142 36.660 47.001 43.163 802 HA THR 142 HA THR 142 38.943 48.192 44.220 803 HB THR 142 HB THR 142 38.791 45.467 42.913 804 HG1 THR 142 HG1 THR 142 37.406 45.205 44.444 805 HG21 THR 142 HG21 THR 142 40.559 46.631 45.084 806 HG22 THR 142 HG22 THR 142 41.067 46.157 43.462 807 HG23 THR 142 HG23 THR 142 40.534 44.931 44.614 808 H ASN 143 H ASN 143 38.297 47.099 40.915 809 HA ASN 143 HA ASN 143 40.921 48.154 40.067 810 HB2 ASN 143 HB2 ASN 143 38.966 46.317 38.666 811 HB3 ASN 143 HB3 ASN 143 40.471 46.903 37.962 812 HD21 ASN 143 HD21 ASN 143 39.905 44.091 38.471 813 HD22 ASN 143 HD22 ASN 143 41.025 43.555 39.628 814 H GLY 144 H GLY 144 41.056 49.569 38.282 815 HA2 GLY 144 HA2 GLY 144 40.252 51.090 36.692 816 HA3 GLY 144 HA3 GLY 144 38.611 50.727 37.203 817 H SER 145 H SER 145 40.908 51.505 39.698 818 HA SER 145 HA SER 145 39.401 53.715 40.617 819 HB2 SER 145 HB2 SER 145 41.179 54.030 42.226 820 HB3 SER 145 HB3 SER 145 40.894 52.304 42.032 821 HG SER 145 HG SER 145 43.129 53.257 41.859 822 H GLY 146 H GLY 146 42.205 53.490 38.489 823 HA2 GLY 146 HA2 GLY 146 42.805 56.300 38.563 824 HA3 GLY 146 HA3 GLY 146 43.466 55.120 37.435 825 H SER 147 H SER 147 42.299 57.879 37.084 826 HA SER 147 HA SER 147 40.432 57.170 34.901 827 HB2 SER 147 HB2 SER 147 39.181 58.146 36.817 828 HB3 SER 147 HB3 SER 147 40.197 59.581 36.719 829 HG SER 147 HG SER 147 38.196 58.733 35.071 830 H GLU 148 H GLU 148 40.741 58.247 32.999 831 HA GLU 148 HA GLU 148 43.032 60.128 32.894 832 HB2 GLU 148 HB2 GLU 148 41.985 58.235 30.774 833 HB3 GLU 148 HB3 GLU 148 43.323 59.366 30.562 834 HG2 GLU 148 HG2 GLU 148 44.519 58.258 32.442 835 HG3 GLU 148 HG3 GLU 148 43.210 57.091 32.560 836 H ASN 149 H ASN 149 42.820 62.027 31.769 837 HA ASN 149 HA ASN 149 40.090 62.882 31.208 838 HB2 ASN 149 HB2 ASN 149 42.688 64.424 31.164 839 HB3 ASN 149 HB3 ASN 149 41.078 65.120 30.990 840 HD21 ASN 149 HD21 ASN 149 43.249 65.293 33.222 841 HD22 ASN 149 HD22 ASN 149 42.373 64.967 34.638 842 H LEU 150 H LEU 150 42.242 61.262 29.330 843 HA LEU 150 HA LEU 150 42.440 62.773 26.967 844 HB2 LEU 150 HB2 LEU 150 42.252 59.766 27.261 845 HB3 LEU 150 HB3 LEU 150 42.865 60.632 25.853 846 HG LEU 150 HG LEU 150 44.046 60.824 28.641 847 HD11 LEU 150 HD11 LEU 150 45.209 59.449 26.207 848 HD12 LEU 150 HD12 LEU 150 44.288 58.587 27.439 849 HD13 LEU 150 HD13 LEU 150 45.800 59.386 27.867 850 HD21 LEU 150 HD21 LEU 150 45.968 61.817 27.244 851 HD22 LEU 150 HD22 LEU 150 44.543 62.834 27.461 852 HD23 LEU 150 HD23 LEU 150 44.788 61.972 25.942 853 H TYR 151 H TYR 151 39.873 60.668 28.176 854 HA TYR 151 HA TYR 151 38.220 61.398 25.825 855 HB2 TYR 151 HB2 TYR 151 37.973 59.003 27.647 856 HB3 TYR 151 HB3 TYR 151 36.947 59.359 26.270 857 HD1 TYR 151 HD2 TYR 151 37.948 59.331 23.949 858 HD2 TYR 151 HD1 TYR 151 40.063 57.908 27.406 859 HE1 TYR 151 HE2 TYR 151 39.518 58.094 22.481 860 HE2 TYR 151 HE1 TYR 151 41.632 56.671 25.938 861 HH TYR 151 HH TYR 151 42.312 56.481 23.754 862 H PHE 152 H PHE 152 36.148 62.147 26.160 863 HA PHE 152 HA PHE 152 35.296 62.589 28.956 864 HB2 PHE 152 HB2 PHE 152 34.600 64.846 28.400 865 HB3 PHE 152 HB3 PHE 152 36.317 64.652 28.105 866 HD1 PHE 152 HD2 PHE 152 37.175 64.497 25.772 867 HD2 PHE 152 HD1 PHE 152 33.047 65.320 26.634 868 HE1 PHE 152 HE2 PHE 152 36.849 65.302 23.448 869 HE2 PHE 152 HE1 PHE 152 32.722 66.125 24.311 870 HZ PHE 152 HZ PHE 152 34.623 66.115 22.719 871 H GLN 153 H GLN 153 32.986 63.062 29.151 872 HA GLN 153 HA GLN 153 31.416 61.714 27.030 873 HB2 GLN 153 HB2 GLN 153 31.508 60.545 29.233 874 HB3 GLN 153 HB3 GLN 153 30.757 61.959 29.973 875 HG2 GLN 153 HG2 GLN 153 28.803 61.715 28.511 876 HG3 GLN 153 HG3 GLN 153 29.554 60.338 27.712 877 HE21 GLN 153 HE21 GLN 153 27.105 59.834 28.832 878 HE22 GLN 153 HE22 GLN 153 27.262 58.939 30.265
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