NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
505529 | 2ysm | 11237 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -34.619 11.752 2.481 2 HA2 GLY 1 1HA GLY 1 -33.499 13.301 4.648 3 HA3 GLY 1 2HA GLY 1 -34.784 12.210 5.144 4 H SER 2 H SER 2 -32.085 11.911 2.836 5 HA SER 2 HA SER 2 -30.906 9.814 4.476 6 HB2 SER 2 1HB SER 2 -31.929 9.352 1.669 7 HB3 SER 2 2HB SER 2 -30.772 8.286 2.465 8 HG SER 2 HG SER 2 -32.398 8.106 4.172 9 H SER 3 H SER 3 -28.762 9.978 4.468 10 HA SER 3 HA SER 3 -27.455 11.960 2.899 11 HB2 SER 3 1HB SER 3 -25.391 11.144 3.993 12 HB3 SER 3 2HB SER 3 -26.685 11.425 5.158 13 HG SER 3 HG SER 3 -25.928 8.916 4.064 14 H GLY 4 H GLY 4 -27.349 8.403 2.901 15 HA2 GLY 4 1HA GLY 4 -26.607 6.908 1.323 16 HA3 GLY 4 2HA GLY 4 -27.203 8.079 0.156 17 H SER 5 H SER 5 -24.476 8.091 2.450 18 HA SER 5 HA SER 5 -22.708 8.688 0.168 19 HB2 SER 5 1HB SER 5 -21.279 9.916 1.837 20 HB3 SER 5 2HB SER 5 -22.856 10.651 1.551 21 HG SER 5 HG SER 5 -22.382 8.848 3.679 22 H SER 6 H SER 6 -23.268 6.064 0.906 23 HA SER 6 HA SER 6 -20.910 5.192 2.419 24 HB2 SER 6 1HB SER 6 -23.296 4.365 2.946 25 HB3 SER 6 2HB SER 6 -23.139 3.394 1.483 26 HG SER 6 HG SER 6 -21.014 2.774 2.602 27 H GLY 7 H GLY 7 -19.173 4.554 1.337 28 HA2 GLY 7 1HA GLY 7 -19.198 2.732 -0.798 29 HA3 GLY 7 2HA GLY 7 -19.056 4.352 -1.464 30 H ALA 8 H ALA 8 -17.122 2.210 -1.597 31 HA ALA 8 HA ALA 8 -14.846 2.040 -1.566 32 HB1 ALA 8 3HB ALA 8 -13.496 3.924 -1.091 33 HB2 ALA 8 1HB ALA 8 -14.963 4.545 -1.847 34 HB3 ALA 8 2HB ALA 8 -14.752 4.665 -0.100 35 H ASN 9 H ASN 9 -16.641 1.156 0.628 36 HA ASN 9 HA ASN 9 -15.486 1.490 3.145 37 HB2 ASN 9 1HB ASN 9 -17.211 -0.622 1.907 38 HB3 ASN 9 2HB ASN 9 -16.522 -0.902 3.503 39 HD21 ASN 9 1HD2 ASN 9 -18.286 -0.752 4.749 40 HD22 ASN 9 2HD2 ASN 9 -19.286 0.652 4.872 41 H CYS 10 H CYS 10 -14.469 -0.386 4.402 42 HA CYS 10 HA CYS 10 -11.911 -0.874 3.444 43 HB2 CYS 10 1HB CYS 10 -12.932 -1.098 5.846 44 HB3 CYS 10 2HB CYS 10 -13.192 -2.775 5.376 45 H ALA 11 H ALA 11 -11.045 -2.314 2.094 46 HA ALA 11 HA ALA 11 -12.778 -4.232 0.788 47 HB1 ALA 11 3HB ALA 11 -11.466 -3.804 -0.947 48 HB2 ALA 11 1HB ALA 11 -10.459 -2.772 0.069 49 HB3 ALA 11 2HB ALA 11 -10.087 -4.490 -0.089 50 H VAL 12 H VAL 12 -11.300 -4.356 3.625 51 HA VAL 12 HA VAL 12 -10.386 -7.140 3.317 52 HB VAL 12 HB VAL 12 -9.673 -5.116 5.444 53 HG11 VAL 12 1HG1 VAL 12 -9.626 -7.985 5.503 54 HG12 VAL 12 2HG1 VAL 12 -7.983 -7.349 5.597 55 HG13 VAL 12 3HG1 VAL 12 -9.197 -6.835 6.768 56 HG21 VAL 12 3HG2 VAL 12 -7.832 -6.461 3.484 57 HG22 VAL 12 1HG2 VAL 12 -8.627 -4.926 3.136 58 HG23 VAL 12 2HG2 VAL 12 -7.515 -5.054 4.498 59 H CYS 13 H CYS 13 -12.131 -4.961 5.521 60 HA CYS 13 HA CYS 13 -13.423 -7.301 6.738 61 HB2 CYS 13 1HB CYS 13 -13.975 -5.884 8.605 62 HB3 CYS 13 2HB CYS 13 -12.267 -5.665 8.235 63 H ASP 14 H ASP 14 -14.008 -4.456 4.840 64 HA ASP 14 HA ASP 14 -15.823 -3.845 3.596 65 HB2 ASP 14 1HB ASP 14 -16.160 -6.368 3.411 66 HB3 ASP 14 2HB ASP 14 -17.320 -6.206 4.728 67 H SER 15 H SER 15 -15.389 -2.589 5.957 68 HA SER 15 HA SER 15 -18.118 -1.952 6.802 69 HB2 SER 15 1HB SER 15 -17.396 -3.417 8.556 70 HB3 SER 15 2HB SER 15 -15.829 -2.614 8.663 71 HG SER 15 HG SER 15 -18.038 -2.043 9.994 72 HA PRO 16 HA PRO 16 -16.748 2.195 6.287 73 HB2 PRO 16 1HB PRO 16 -18.547 3.464 7.875 74 HB3 PRO 16 2HB PRO 16 -18.970 2.776 6.303 75 HG2 PRO 16 1HG PRO 16 -19.384 1.639 9.041 76 HG3 PRO 16 2HG PRO 16 -20.494 1.658 7.658 77 HD2 PRO 16 1HD PRO 16 -19.037 -0.524 8.328 78 HD3 PRO 16 2HD PRO 16 -19.465 -0.141 6.648 79 H GLY 17 H GLY 17 -17.422 1.173 9.632 80 HA2 GLY 17 1HA GLY 17 -16.541 2.002 11.625 81 HA3 GLY 17 2HA GLY 17 -15.064 1.476 10.831 82 H ASP 18 H ASP 18 -13.559 2.967 11.181 83 HA ASP 18 HA ASP 18 -14.303 5.795 11.187 84 HB2 ASP 18 1HB ASP 18 -11.922 4.255 12.172 85 HB3 ASP 18 2HB ASP 18 -11.802 5.992 11.900 86 H LEU 19 H LEU 19 -13.773 7.172 9.604 87 HA LEU 19 HA LEU 19 -12.569 6.122 7.201 88 HB2 LEU 19 1HB LEU 19 -13.939 8.646 7.983 89 HB3 LEU 19 2HB LEU 19 -12.902 8.658 6.558 90 HG LEU 19 HG LEU 19 -15.248 8.334 5.965 91 HD11 LEU 19 1HD1 LEU 19 -14.565 5.712 5.186 92 HD12 LEU 19 2HD1 LEU 19 -13.070 6.647 5.225 93 HD13 LEU 19 3HD1 LEU 19 -14.431 7.200 4.248 94 HD21 LEU 19 3HD2 LEU 19 -15.304 6.711 8.237 95 HD22 LEU 19 1HD2 LEU 19 -15.541 5.618 6.873 96 HD23 LEU 19 2HD2 LEU 19 -16.617 6.998 7.094 97 H LEU 20 H LEU 20 -11.835 8.768 9.469 98 HA LEU 20 HA LEU 20 -9.410 9.543 8.291 99 HB2 LEU 20 1HB LEU 20 -10.694 9.905 10.941 100 HB3 LEU 20 2HB LEU 20 -8.970 10.246 10.816 101 HG LEU 20 HG LEU 20 -10.341 12.267 10.588 102 HD11 LEU 20 1HD1 LEU 20 -9.471 12.652 8.045 103 HD12 LEU 20 2HD1 LEU 20 -8.472 11.290 8.551 104 HD13 LEU 20 3HD1 LEU 20 -8.460 12.786 9.484 105 HD21 LEU 20 3HD2 LEU 20 -11.910 10.585 8.917 106 HD22 LEU 20 1HD2 LEU 20 -11.326 11.940 7.951 107 HD23 LEU 20 2HD2 LEU 20 -12.234 12.241 9.434 108 H ASP 21 H ASP 21 -10.112 7.215 10.865 109 HA ASP 21 HA ASP 21 -7.515 6.586 11.623 110 HB2 ASP 21 1HB ASP 21 -10.013 4.894 11.535 111 HB3 ASP 21 2HB ASP 21 -8.499 4.324 12.233 112 H GLN 22 H GLN 22 -9.513 5.082 9.094 113 HA GLN 22 HA GLN 22 -7.318 3.424 8.211 114 HB2 GLN 22 1HB GLN 22 -8.870 2.542 6.583 115 HB3 GLN 22 2HB GLN 22 -9.667 2.631 8.148 116 HG2 GLN 22 1HG GLN 22 -10.721 4.758 7.432 117 HG3 GLN 22 2HG GLN 22 -10.012 4.523 5.835 118 HE21 GLN 22 1HE2 GLN 22 -12.777 4.250 7.465 119 HE22 GLN 22 2HE2 GLN 22 -13.525 2.948 6.612 120 H PHE 23 H PHE 23 -6.277 3.552 6.204 121 HA PHE 23 HA PHE 23 -5.885 6.237 5.251 122 HB2 PHE 23 1HB PHE 23 -4.735 3.688 4.106 123 HB3 PHE 23 2HB PHE 23 -4.114 5.323 3.908 124 HD1 PHE 23 HD2 PHE 23 -4.638 2.612 6.363 125 HD2 PHE 23 HD1 PHE 23 -2.635 6.260 5.473 126 HE1 PHE 23 HE2 PHE 23 -3.196 2.296 8.332 127 HE2 PHE 23 HE1 PHE 23 -1.189 5.950 7.440 128 HZ PHE 23 HZ PHE 23 -1.470 3.967 8.873 129 H PHE 24 H PHE 24 -5.868 6.710 2.884 130 HA PHE 24 HA PHE 24 -8.002 5.281 1.452 131 HB2 PHE 24 1HB PHE 24 -9.239 7.135 1.991 132 HB3 PHE 24 2HB PHE 24 -7.823 8.173 2.126 133 HD1 PHE 24 HD1 PHE 24 -10.259 6.691 -0.180 134 HD2 PHE 24 HD2 PHE 24 -6.963 9.354 0.228 135 HE1 PHE 24 HE1 PHE 24 -10.727 7.608 -2.414 136 HE2 PHE 24 HE2 PHE 24 -7.427 10.276 -2.005 137 HZ PHE 24 HZ PHE 24 -9.311 9.403 -3.329 138 H CYS 25 H CYS 25 -7.192 4.469 -0.354 139 HA CYS 25 HA CYS 25 -4.709 5.251 -1.456 140 HB2 CYS 25 1HB CYS 25 -5.835 2.983 -1.662 141 HB3 CYS 25 2HB CYS 25 -6.865 3.704 -2.894 142 H THR 26 H THR 26 -4.315 6.109 -3.594 143 HA THR 26 HA THR 26 -6.277 8.178 -4.298 144 HB THR 26 HB THR 26 -4.434 9.327 -5.442 145 HG1 THR 26 HG1 THR 26 -2.602 7.493 -4.332 146 HG21 THR 26 3HG2 THR 26 -2.915 9.525 -3.295 147 HG22 THR 26 1HG2 THR 26 -4.212 8.580 -2.564 148 HG23 THR 26 2HG2 THR 26 -4.566 10.144 -3.298 149 H THR 27 H THR 27 -4.407 5.513 -5.609 150 HA THR 27 HA THR 27 -5.047 5.950 -8.337 151 HB THR 27 HB THR 27 -4.236 3.397 -6.933 152 HG1 THR 27 HG1 THR 27 -2.664 5.152 -8.531 153 HG21 THR 27 3HG2 THR 27 -5.230 3.774 -9.552 154 HG22 THR 27 1HG2 THR 27 -4.510 2.320 -8.863 155 HG23 THR 27 2HG2 THR 27 -3.494 3.500 -9.692 156 H CYS 28 H CYS 28 -6.200 3.343 -6.186 157 HA CYS 28 HA CYS 28 -8.505 2.918 -7.882 158 HB2 CYS 28 1HB CYS 28 -8.993 1.037 -6.443 159 HB3 CYS 28 2HB CYS 28 -7.275 1.028 -6.829 160 H GLY 29 H GLY 29 -7.850 4.101 -4.607 161 HA2 GLY 29 1HA GLY 29 -9.098 5.803 -3.548 162 HA3 GLY 29 2HA GLY 29 -10.423 5.491 -4.661 163 H GLN 30 H GLN 30 -8.699 3.072 -2.763 164 HA GLN 30 HA GLN 30 -11.243 2.397 -1.467 165 HB2 GLN 30 1HB GLN 30 -8.716 0.802 -1.895 166 HB3 GLN 30 2HB GLN 30 -10.056 0.241 -0.904 167 HG2 GLN 30 1HG GLN 30 -10.179 0.889 -3.841 168 HG3 GLN 30 2HG GLN 30 -10.135 -0.724 -3.131 169 HE21 GLN 30 1HE2 GLN 30 -11.885 -0.764 -1.200 170 HE22 GLN 30 2HE2 GLN 30 -13.472 -0.341 -1.735 171 H HIS 31 H HIS 31 -10.968 1.437 0.795 172 HA HIS 31 HA HIS 31 -9.009 3.018 2.324 173 HB2 HIS 31 1HB HIS 31 -11.772 2.373 3.341 174 HB3 HIS 31 2HB HIS 31 -10.621 3.544 3.979 175 HD1 HIS 31 HD1 HIS 31 -13.636 4.077 2.982 176 HD2 HIS 31 HD2 HIS 31 -10.122 5.020 0.976 177 HE1 HIS 31 HE1 HIS 31 -14.239 5.945 1.410 178 HE2 HIS 31 HE2 HIS 31 -12.118 6.441 0.146 179 H TYR 32 H TYR 32 -8.252 2.091 4.272 180 HA TYR 32 HA TYR 32 -9.024 -0.628 4.922 181 HB2 TYR 32 1HB TYR 32 -6.194 0.028 4.078 182 HB3 TYR 32 2HB TYR 32 -6.737 -1.512 4.734 183 HD1 TYR 32 HD2 TYR 32 -6.965 0.754 1.829 184 HD2 TYR 32 HD1 TYR 32 -7.831 -3.121 3.358 185 HE1 TYR 32 HE2 TYR 32 -7.505 -0.016 -0.444 186 HE2 TYR 32 HE1 TYR 32 -8.372 -3.902 1.089 187 HH TYR 32 HH TYR 32 -9.130 -2.094 -1.345 188 H HIS 33 H HIS 33 -9.143 -0.742 7.055 189 HA HIS 33 HA HIS 33 -8.233 1.286 8.777 190 HB2 HIS 33 1HB HIS 33 -9.008 -1.555 9.469 191 HB3 HIS 33 2HB HIS 33 -8.907 -0.209 10.600 192 HD2 HIS 33 HD2 HIS 33 -10.791 1.989 9.647 193 HE1 HIS 33 HE1 HIS 33 -13.570 -0.974 8.424 194 HE2 HIS 33 HE2 HIS 33 -13.208 1.476 8.883 195 H GLY 34 H GLY 34 -6.616 1.226 10.415 196 HA2 GLY 34 1HA GLY 34 -4.108 0.305 9.536 197 HA3 GLY 34 2HA GLY 34 -4.466 0.904 11.149 198 H MET 35 H MET 35 -6.520 -1.173 11.589 199 HA MET 35 HA MET 35 -4.721 -3.228 12.534 200 HB2 MET 35 1HB MET 35 -7.679 -2.751 12.853 201 HB3 MET 35 2HB MET 35 -6.895 -4.205 13.456 202 HG2 MET 35 1HG MET 35 -6.033 -1.434 14.231 203 HG3 MET 35 2HG MET 35 -7.239 -2.359 15.123 204 HE1 MET 35 3HE MET 35 -3.256 -2.510 14.035 205 HE2 MET 35 1HE MET 35 -3.966 -1.188 14.962 206 HE3 MET 35 2HE MET 35 -2.887 -2.338 15.751 207 H CYS 36 H CYS 36 -7.344 -2.935 10.186 208 HA CYS 36 HA CYS 36 -7.630 -5.617 9.496 209 HB2 CYS 36 1HB CYS 36 -8.168 -3.023 8.137 210 HB3 CYS 36 2HB CYS 36 -8.170 -4.475 7.142 211 H LEU 37 H LEU 37 -5.327 -3.203 8.347 212 HA LEU 37 HA LEU 37 -4.026 -5.246 6.689 213 HB2 LEU 37 1HB LEU 37 -4.157 -2.285 6.629 214 HB3 LEU 37 2HB LEU 37 -2.666 -3.040 6.070 215 HG LEU 37 HG LEU 37 -5.388 -3.699 4.956 216 HD11 LEU 37 1HD1 LEU 37 -4.301 -1.266 4.697 217 HD12 LEU 37 2HD1 LEU 37 -5.229 -2.050 3.420 218 HD13 LEU 37 3HD1 LEU 37 -3.467 -2.099 3.385 219 HD21 LEU 37 3HD2 LEU 37 -4.285 -4.924 3.331 220 HD22 LEU 37 1HD2 LEU 37 -3.344 -5.283 4.779 221 HD23 LEU 37 2HD2 LEU 37 -2.747 -4.105 3.610 222 H ASP 38 H ASP 38 -3.864 -4.174 9.748 223 HA ASP 38 HA ASP 38 -2.294 -4.193 11.395 224 HB2 ASP 38 1HB ASP 38 -0.986 -6.033 9.390 225 HB3 ASP 38 2HB ASP 38 -0.324 -5.744 10.996 226 H ILE 39 H ILE 39 -2.218 -1.979 9.677 227 HA ILE 39 HA ILE 39 0.638 -1.440 9.291 228 HB ILE 39 HB ILE 39 -1.778 0.120 8.368 229 HG12 ILE 39 1HG1 ILE 39 0.241 -1.372 6.693 230 HG13 ILE 39 2HG1 ILE 39 -1.251 -2.114 7.261 231 HG21 ILE 39 1HG2 ILE 39 1.166 0.637 8.114 232 HG22 ILE 39 2HG2 ILE 39 0.007 1.300 6.963 233 HG23 ILE 39 3HG2 ILE 39 -0.105 1.725 8.671 234 HD11 ILE 39 3HD1 ILE 39 -1.115 0.364 5.562 235 HD12 ILE 39 1HD1 ILE 39 -1.382 -1.267 4.949 236 HD13 ILE 39 2HD1 ILE 39 -2.563 -0.526 6.029 237 H ALA 40 H ALA 40 1.655 0.343 10.216 238 HA ALA 40 HA ALA 40 0.432 1.264 12.700 239 HB1 ALA 40 3HB ALA 40 2.939 0.403 12.192 240 HB2 ALA 40 1HB ALA 40 3.161 2.146 12.036 241 HB3 ALA 40 2HB ALA 40 2.515 1.469 13.532 242 H VAL 41 H VAL 41 -0.802 3.022 12.529 243 HA VAL 41 HA VAL 41 -0.777 4.898 10.479 244 HB VAL 41 HB VAL 41 -1.659 5.333 13.336 245 HG11 VAL 41 1HG1 VAL 41 -1.565 7.089 11.070 246 HG12 VAL 41 2HG1 VAL 41 -3.240 6.803 11.543 247 HG13 VAL 41 3HG1 VAL 41 -2.084 7.425 12.721 248 HG21 VAL 41 3HG2 VAL 41 -3.941 4.872 12.258 249 HG22 VAL 41 1HG2 VAL 41 -3.020 4.149 10.939 250 HG23 VAL 41 2HG2 VAL 41 -2.885 3.494 12.571 251 H THR 42 H THR 42 0.661 6.383 9.928 252 HA THR 42 HA THR 42 2.262 7.666 12.037 253 HB THR 42 HB THR 42 4.140 7.763 10.288 254 HG1 THR 42 HG1 THR 42 2.842 5.459 9.257 255 HG21 THR 42 3HG2 THR 42 4.566 6.438 12.162 256 HG22 THR 42 1HG2 THR 42 4.782 5.318 10.817 257 HG23 THR 42 2HG2 THR 42 3.290 5.289 11.758 258 HA PRO 43 HA PRO 43 1.169 11.497 10.192 259 HB2 PRO 43 1HB PRO 43 3.390 12.979 10.685 260 HB3 PRO 43 2HB PRO 43 2.244 12.516 11.948 261 HG2 PRO 43 1HG PRO 43 4.873 11.278 11.230 262 HG3 PRO 43 2HG PRO 43 4.203 11.629 12.834 263 HD2 PRO 43 1HD PRO 43 4.150 9.151 11.744 264 HD3 PRO 43 2HD PRO 43 2.878 9.743 12.832 265 H LEU 44 H LEU 44 3.604 9.556 8.930 266 HA LEU 44 HA LEU 44 4.127 11.389 6.694 267 HB2 LEU 44 1HB LEU 44 6.082 10.469 7.882 268 HB3 LEU 44 2HB LEU 44 5.551 8.843 7.457 269 HG LEU 44 HG LEU 44 5.774 9.617 5.020 270 HD11 LEU 44 1HD1 LEU 44 6.628 11.989 6.435 271 HD12 LEU 44 2HD1 LEU 44 6.259 11.766 4.726 272 HD13 LEU 44 3HD1 LEU 44 7.873 11.401 5.333 273 HD21 LEU 44 3HD2 LEU 44 7.319 8.033 5.631 274 HD22 LEU 44 1HD2 LEU 44 7.972 9.016 6.942 275 HD23 LEU 44 2HD2 LEU 44 8.375 9.399 5.268 276 H LYS 45 H LYS 45 3.146 8.069 7.441 277 HA LYS 45 HA LYS 45 2.783 7.147 4.833 278 HB2 LYS 45 1HB LYS 45 1.560 6.409 7.473 279 HB3 LYS 45 2HB LYS 45 0.989 5.652 5.991 280 HG2 LYS 45 1HG LYS 45 3.285 4.892 5.526 281 HG3 LYS 45 2HG LYS 45 3.803 5.592 7.061 282 HD2 LYS 45 1HD LYS 45 1.885 4.117 8.048 283 HD3 LYS 45 2HD LYS 45 2.074 3.210 6.545 284 HE2 LYS 45 1HE LYS 45 4.535 3.873 8.060 285 HE3 LYS 45 2HE LYS 45 3.467 2.652 8.748 286 HZ1 LYS 45 3HZ LYS 45 5.147 1.661 7.323 287 HZ2 LYS 45 1HZ LYS 45 4.620 2.591 6.012 288 HZ3 LYS 45 2HZ LYS 45 3.603 1.416 6.679 289 H ARG 46 H ARG 46 0.441 8.677 7.032 290 HA ARG 46 HA ARG 46 -1.866 8.585 5.638 291 HB2 ARG 46 1HB ARG 46 -0.744 11.049 6.985 292 HB3 ARG 46 2HB ARG 46 -2.434 10.803 6.565 293 HG2 ARG 46 1HG ARG 46 -2.700 9.110 8.168 294 HG3 ARG 46 2HG ARG 46 -0.958 8.925 8.378 295 HD2 ARG 46 1HD ARG 46 -1.154 11.476 9.075 296 HD3 ARG 46 2HD ARG 46 -2.802 10.985 9.464 297 HE ARG 46 HE ARG 46 -1.324 9.088 10.675 298 HH11 ARG 46 2HH1 ARG 46 -1.175 12.566 10.700 299 HH12 ARG 46 1HH1 ARG 46 -0.541 12.658 12.310 300 HH21 ARG 46 2HH2 ARG 46 -0.490 9.196 12.795 301 HH22 ARG 46 1HH2 ARG 46 -0.150 10.740 13.500 302 H ALA 47 H ALA 47 0.576 11.142 5.152 303 HA ALA 47 HA ALA 47 -0.713 12.124 2.791 304 HB1 ALA 47 3HB ALA 47 1.626 12.845 4.409 305 HB2 ALA 47 1HB ALA 47 1.773 13.205 2.689 306 HB3 ALA 47 2HB ALA 47 0.430 13.871 3.618 307 H GLY 48 H GLY 48 -0.636 11.187 0.863 308 HA2 GLY 48 1HA GLY 48 0.268 10.229 -1.036 309 HA3 GLY 48 2HA GLY 48 1.845 10.283 -0.264 310 H TRP 49 H TRP 49 -1.055 8.711 0.988 311 HA TRP 49 HA TRP 49 0.411 6.251 1.335 312 HB2 TRP 49 1HB TRP 49 -1.285 7.195 2.978 313 HB3 TRP 49 2HB TRP 49 -2.532 6.691 1.841 314 HD1 TRP 49 HD1 TRP 49 0.294 5.131 3.977 315 HE1 TRP 49 HE1 TRP 49 -0.390 2.721 4.564 316 HE3 TRP 49 HE3 TRP 49 -4.033 4.835 1.271 317 HZ2 TRP 49 HZ2 TRP 49 -2.487 0.930 3.958 318 HZ3 TRP 49 HZ3 TRP 49 -5.319 2.738 1.328 319 HH2 TRP 49 HH2 TRP 49 -4.559 0.827 2.644 320 H GLN 50 H GLN 50 0.071 4.314 0.302 321 HA GLN 50 HA GLN 50 -1.868 4.264 -1.899 322 HB2 GLN 50 1HB GLN 50 1.086 3.948 -2.070 323 HB3 GLN 50 2HB GLN 50 0.097 2.899 -3.078 324 HG2 GLN 50 1HG GLN 50 -1.074 5.160 -3.719 325 HG3 GLN 50 2HG GLN 50 0.460 5.846 -3.187 326 HE21 GLN 50 1HE2 GLN 50 -0.804 3.236 -5.228 327 HE22 GLN 50 2HE2 GLN 50 0.372 3.414 -6.481 328 H CYS 51 H CYS 51 -3.082 2.496 -1.846 329 HA CYS 51 HA CYS 51 -2.791 0.494 0.093 330 HB2 CYS 51 1HB CYS 51 -4.716 -0.465 -0.798 331 HB3 CYS 51 2HB CYS 51 -4.874 1.218 -1.288 332 HA PRO 52 HA PRO 52 0.026 -2.412 -1.603 333 HB2 PRO 52 1HB PRO 52 -1.030 -4.755 -0.728 334 HB3 PRO 52 2HB PRO 52 -0.217 -3.608 0.343 335 HG2 PRO 52 1HG PRO 52 -3.146 -4.019 -0.120 336 HG3 PRO 52 2HG PRO 52 -2.279 -3.764 1.406 337 HD2 PRO 52 1HD PRO 52 -3.626 -1.781 0.147 338 HD3 PRO 52 2HD PRO 52 -2.160 -1.482 1.104 339 H GLU 53 H GLU 53 -3.092 -2.114 -2.741 340 HA GLU 53 HA GLU 53 -2.888 -4.343 -4.624 341 HB2 GLU 53 1HB GLU 53 -5.161 -2.380 -4.301 342 HB3 GLU 53 2HB GLU 53 -5.190 -3.905 -5.176 343 HG2 GLU 53 1HG GLU 53 -4.512 -3.976 -2.290 344 HG3 GLU 53 2HG GLU 53 -6.186 -3.658 -2.743 345 H CYS 54 H CYS 54 -2.539 -0.914 -4.437 346 HA CYS 54 HA CYS 54 -2.377 -0.728 -7.369 347 HB2 CYS 54 1HB CYS 54 -2.812 1.398 -5.266 348 HB3 CYS 54 2HB CYS 54 -2.520 1.756 -6.965 349 H LYS 55 H LYS 55 -0.661 -0.108 -4.368 350 HA LYS 55 HA LYS 55 1.510 1.339 -5.198 351 HB2 LYS 55 1HB LYS 55 1.418 0.880 -2.908 352 HB3 LYS 55 2HB LYS 55 1.215 -0.848 -3.165 353 HG2 LYS 55 1HG LYS 55 3.591 -0.803 -4.105 354 HG3 LYS 55 2HG LYS 55 3.713 0.794 -3.363 355 HD2 LYS 55 1HD LYS 55 2.941 -1.718 -1.883 356 HD3 LYS 55 2HD LYS 55 4.576 -1.054 -1.933 357 HE2 LYS 55 1HE LYS 55 3.473 1.118 -1.081 358 HE3 LYS 55 2HE LYS 55 2.113 0.080 -0.654 359 HZ1 LYS 55 3HZ LYS 55 3.342 -1.034 0.919 360 HZ2 LYS 55 1HZ LYS 55 3.961 0.533 1.072 361 HZ3 LYS 55 2HZ LYS 55 4.829 -0.640 0.217 362 H VAL 56 H VAL 56 3.245 1.023 -6.456 363 HA VAL 56 HA VAL 56 3.851 -1.716 -7.346 364 HB VAL 56 HB VAL 56 4.245 -0.971 -9.605 365 HG11 VAL 56 1HG1 VAL 56 2.098 -1.446 -9.920 366 HG12 VAL 56 2HG1 VAL 56 1.679 -0.837 -8.318 367 HG13 VAL 56 3HG1 VAL 56 1.733 0.264 -9.695 368 HG21 VAL 56 3HG2 VAL 56 4.040 1.687 -8.371 369 HG22 VAL 56 1HG2 VAL 56 4.964 1.153 -9.775 370 HG23 VAL 56 2HG2 VAL 56 3.249 1.532 -9.939 371 H CYS 57 H CYS 57 6.042 -1.701 -8.568 372 HA CYS 57 HA CYS 57 8.000 -0.702 -6.735 373 HB2 CYS 57 1HB CYS 57 8.269 -2.875 -7.851 374 HB3 CYS 57 2HB CYS 57 8.353 -2.066 -9.413 375 H GLN 58 H GLN 58 8.629 1.349 -6.725 376 HA GLN 58 HA GLN 58 8.315 3.086 -8.963 377 HB2 GLN 58 1HB GLN 58 9.665 3.398 -6.287 378 HB3 GLN 58 2HB GLN 58 9.661 4.679 -7.491 379 HG2 GLN 58 1HG GLN 58 7.103 3.427 -6.579 380 HG3 GLN 58 2HG GLN 58 7.879 4.701 -5.639 381 HE21 GLN 58 1HE2 GLN 58 5.802 4.002 -8.176 382 HE22 GLN 58 2HE2 GLN 58 5.678 5.587 -8.852 383 H ASN 59 H ASN 59 10.457 0.687 -8.526 384 HA ASN 59 HA ASN 59 12.774 2.108 -9.603 385 HB2 ASN 59 1HB ASN 59 12.673 -0.834 -8.974 386 HB3 ASN 59 2HB ASN 59 14.074 0.233 -9.018 387 HD21 ASN 59 1HD2 ASN 59 14.453 1.633 -7.290 388 HD22 ASN 59 2HD2 ASN 59 13.716 1.391 -5.746 389 H CYS 60 H CYS 60 10.732 -0.702 -10.373 390 HA CYS 60 HA CYS 60 11.616 -0.471 -13.174 391 HB2 CYS 60 1HB CYS 60 11.147 -2.815 -13.448 392 HB3 CYS 60 2HB CYS 60 12.154 -2.624 -12.016 393 H LYS 61 H LYS 61 8.946 -0.328 -11.019 394 HA LYS 61 HA LYS 61 6.750 0.189 -11.308 395 HB2 LYS 61 1HB LYS 61 7.955 1.120 -13.882 396 HB3 LYS 61 2HB LYS 61 6.204 1.095 -13.721 397 HG2 LYS 61 1HG LYS 61 6.939 3.277 -13.160 398 HG3 LYS 61 2HG LYS 61 6.458 2.485 -11.657 399 HD2 LYS 61 1HD LYS 61 8.464 3.461 -11.058 400 HD3 LYS 61 2HD LYS 61 8.979 1.836 -11.517 401 HE2 LYS 61 1HE LYS 61 10.516 3.206 -12.595 402 HE3 LYS 61 2HE LYS 61 9.338 2.851 -13.858 403 HZ1 LYS 61 3HZ LYS 61 10.137 5.281 -13.426 404 HZ2 LYS 61 1HZ LYS 61 8.958 5.249 -12.212 405 HZ3 LYS 61 2HZ LYS 61 8.523 4.970 -13.822 406 H GLN 62 H GLN 62 7.093 -2.407 -11.326 407 HA GLN 62 HA GLN 62 5.236 -3.339 -13.389 408 HB2 GLN 62 1HB GLN 62 7.907 -4.565 -12.730 409 HB3 GLN 62 2HB GLN 62 6.618 -5.490 -13.488 410 HG2 GLN 62 1HG GLN 62 7.399 -2.907 -14.722 411 HG3 GLN 62 2HG GLN 62 8.485 -4.284 -14.901 412 HE21 GLN 62 1HE2 GLN 62 7.943 -3.935 -17.191 413 HE22 GLN 62 2HE2 GLN 62 6.535 -4.709 -17.826 414 H SER 63 H SER 63 3.516 -3.939 -12.247 415 HA SER 63 HA SER 63 3.782 -4.990 -9.566 416 HB2 SER 63 1HB SER 63 1.458 -4.725 -9.373 417 HB3 SER 63 2HB SER 63 1.930 -3.406 -10.445 418 HG SER 63 HG SER 63 0.066 -4.916 -11.015 419 H GLY 64 H GLY 64 4.070 -7.067 -9.125 420 HA2 GLY 64 1HA GLY 64 2.542 -9.168 -10.131 421 HA3 GLY 64 2HA GLY 64 4.005 -9.091 -11.101 422 H GLU 65 H GLU 65 6.007 -8.629 -9.471 423 HA GLU 65 HA GLU 65 6.178 -11.050 -7.928 424 HB2 GLU 65 1HB GLU 65 8.092 -8.844 -8.620 425 HB3 GLU 65 2HB GLU 65 8.505 -10.018 -7.378 426 HG2 GLU 65 1HG GLU 65 7.767 -10.701 -10.214 427 HG3 GLU 65 2HG GLU 65 9.413 -10.583 -9.595 428 H ASP 66 H ASP 66 4.203 -9.644 -6.780 429 HA ASP 66 HA ASP 66 4.734 -7.785 -4.827 430 HB2 ASP 66 1HB ASP 66 2.467 -8.489 -5.362 431 HB3 ASP 66 2HB ASP 66 2.784 -10.094 -4.709 432 H SER 67 H SER 67 4.931 -11.321 -4.534 433 HA SER 67 HA SER 67 5.550 -11.573 -1.872 434 HB2 SER 67 1HB SER 67 6.677 -13.144 -4.201 435 HB3 SER 67 2HB SER 67 6.801 -13.635 -2.512 436 HG SER 67 HG SER 67 4.381 -13.201 -3.933 437 H LYS 68 H LYS 68 7.904 -11.196 -4.524 438 HA LYS 68 HA LYS 68 10.052 -10.724 -2.648 439 HB2 LYS 68 1HB LYS 68 10.014 -10.575 -5.668 440 HB3 LYS 68 2HB LYS 68 11.454 -10.494 -4.662 441 HG2 LYS 68 1HG LYS 68 10.624 -12.797 -3.771 442 HG3 LYS 68 2HG LYS 68 9.701 -12.826 -5.275 443 HD2 LYS 68 1HD LYS 68 11.968 -12.213 -6.381 444 HD3 LYS 68 2HD LYS 68 12.668 -12.805 -4.873 445 HE2 LYS 68 1HE LYS 68 10.725 -14.404 -6.525 446 HE3 LYS 68 2HE LYS 68 12.471 -14.489 -6.748 447 HZ1 LYS 68 3HZ LYS 68 11.828 -16.249 -5.312 448 HZ2 LYS 68 1HZ LYS 68 10.937 -15.213 -4.314 449 HZ3 LYS 68 2HZ LYS 68 12.624 -15.102 -4.357 450 H MET 69 H MET 69 8.020 -8.840 -2.356 451 HA MET 69 HA MET 69 9.359 -6.399 -3.320 452 HB2 MET 69 1HB MET 69 7.158 -6.801 -4.423 453 HB3 MET 69 2HB MET 69 6.393 -6.729 -2.842 454 HG2 MET 69 1HG MET 69 7.323 -4.415 -2.603 455 HG3 MET 69 2HG MET 69 7.821 -4.518 -4.290 456 HE1 MET 69 3HE MET 69 6.735 -3.850 -6.025 457 HE2 MET 69 1HE MET 69 5.020 -3.519 -6.269 458 HE3 MET 69 2HE MET 69 6.010 -2.396 -5.338 459 H LEU 70 H LEU 70 10.339 -5.461 -1.656 460 HA LEU 70 HA LEU 70 9.471 -5.889 1.056 461 HB2 LEU 70 1HB LEU 70 11.663 -4.210 -0.145 462 HB3 LEU 70 2HB LEU 70 11.359 -4.320 1.587 463 HG LEU 70 HG LEU 70 12.114 -6.644 -0.183 464 HD11 LEU 70 1HD1 LEU 70 14.271 -6.207 0.169 465 HD12 LEU 70 2HD1 LEU 70 14.003 -5.815 1.867 466 HD13 LEU 70 3HD1 LEU 70 13.750 -4.586 0.629 467 HD21 LEU 70 3HD2 LEU 70 12.541 -6.868 2.683 468 HD22 LEU 70 1HD2 LEU 70 11.761 -7.985 1.563 469 HD23 LEU 70 2HD2 LEU 70 10.841 -6.653 2.263 470 H VAL 71 H VAL 71 8.395 -4.514 2.371 471 HA VAL 71 HA VAL 71 7.557 -1.933 1.216 472 HB VAL 71 HB VAL 71 6.008 -3.822 2.987 473 HG11 VAL 71 1HG1 VAL 71 5.782 -0.924 2.646 474 HG12 VAL 71 2HG1 VAL 71 4.278 -1.804 2.369 475 HG13 VAL 71 3HG1 VAL 71 5.130 -1.974 3.904 476 HG21 VAL 71 3HG2 VAL 71 6.186 -3.947 0.351 477 HG22 VAL 71 1HG2 VAL 71 4.663 -4.244 1.190 478 HG23 VAL 71 2HG2 VAL 71 4.970 -2.673 0.449 479 H CYS 72 H CYS 72 8.639 -0.356 2.201 480 HA CYS 72 HA CYS 72 9.991 -0.452 4.597 481 HB2 CYS 72 1HB CYS 72 9.839 1.395 2.708 482 HB3 CYS 72 2HB CYS 72 8.678 2.117 3.818 483 H ASP 73 H ASP 73 9.529 0.693 6.637 484 HA ASP 73 HA ASP 73 6.757 0.190 7.466 485 HB2 ASP 73 1HB ASP 73 9.380 0.199 8.924 486 HB3 ASP 73 2HB ASP 73 7.876 0.425 9.812 487 H THR 74 H THR 74 8.672 2.699 6.523 488 HA THR 74 HA THR 74 7.301 4.622 8.285 489 HB THR 74 HB THR 74 9.869 4.987 6.729 490 HG1 THR 74 HG1 THR 74 9.264 4.443 9.434 491 HG21 THR 74 3HG2 THR 74 8.624 6.876 8.721 492 HG22 THR 74 1HG2 THR 74 8.416 7.035 6.977 493 HG23 THR 74 2HG2 THR 74 10.025 7.161 7.688 494 H CYS 75 H CYS 75 8.816 4.840 5.068 495 HA CYS 75 HA CYS 75 6.900 6.703 4.118 496 HB2 CYS 75 1HB CYS 75 8.006 6.467 1.965 497 HB3 CYS 75 2HB CYS 75 9.212 6.557 3.245 498 H ASP 76 H ASP 76 7.179 3.220 3.963 499 HA ASP 76 HA ASP 76 5.645 1.618 3.426 500 HB2 ASP 76 1HB ASP 76 4.043 3.421 4.409 501 HB3 ASP 76 2HB ASP 76 3.618 3.719 2.726 502 H LYS 77 H LYS 77 7.472 2.317 1.546 503 HA LYS 77 HA LYS 77 5.963 2.436 -0.978 504 HB2 LYS 77 1HB LYS 77 8.850 3.075 -0.361 505 HB3 LYS 77 2HB LYS 77 8.199 2.996 -1.993 506 HG2 LYS 77 1HG LYS 77 6.998 4.798 0.076 507 HG3 LYS 77 2HG LYS 77 8.398 5.289 -0.880 508 HD2 LYS 77 1HD LYS 77 5.903 4.240 -2.179 509 HD3 LYS 77 2HD LYS 77 6.063 5.940 -1.731 510 HE2 LYS 77 1HE LYS 77 8.161 4.561 -3.371 511 HE3 LYS 77 2HE LYS 77 6.710 5.225 -4.121 512 HZ1 LYS 77 3HZ LYS 77 8.504 6.825 -2.388 513 HZ2 LYS 77 1HZ LYS 77 7.273 7.387 -3.404 514 HZ3 LYS 77 2HZ LYS 77 8.687 6.736 -4.067 515 H GLY 78 H GLY 78 6.186 0.853 -2.512 516 HA2 GLY 78 1HA GLY 78 7.272 -1.672 -1.565 517 HA3 GLY 78 2HA GLY 78 6.310 -1.426 -3.015 518 H TYR 79 H TYR 79 9.092 -2.627 -2.227 519 HA TYR 79 HA TYR 79 10.376 -1.766 -4.698 520 HB2 TYR 79 1HB TYR 79 11.867 -1.763 -2.068 521 HB3 TYR 79 2HB TYR 79 12.517 -1.338 -3.647 522 HD1 TYR 79 HD2 TYR 79 10.901 0.544 -4.853 523 HD2 TYR 79 HD1 TYR 79 11.518 0.030 -0.675 524 HE1 TYR 79 HE2 TYR 79 10.282 2.895 -4.478 525 HE2 TYR 79 HE1 TYR 79 10.900 2.379 -0.288 526 HH TYR 79 HH TYR 79 10.579 4.392 -1.314 527 H HIS 80 H HIS 80 10.962 -3.512 -5.786 528 HA HIS 80 HA HIS 80 10.870 -6.114 -4.664 529 HB2 HIS 80 1HB HIS 80 12.033 -5.191 -7.300 530 HB3 HIS 80 2HB HIS 80 11.696 -6.863 -6.865 531 HD2 HIS 80 HD2 HIS 80 8.639 -6.338 -5.674 532 HE1 HIS 80 HE1 HIS 80 7.897 -4.890 -9.592 533 HE2 HIS 80 HE2 HIS 80 6.863 -5.654 -7.426 534 H THR 81 H THR 81 12.437 -7.421 -3.895 535 HA THR 81 HA THR 81 14.737 -6.477 -2.759 536 HB THR 81 HB THR 81 15.600 -8.864 -2.891 537 HG1 THR 81 HG1 THR 81 14.494 -10.301 -4.029 538 HG21 THR 81 3HG2 THR 81 14.544 -8.735 -0.913 539 HG22 THR 81 1HG2 THR 81 13.245 -9.619 -1.713 540 HG23 THR 81 2HG2 THR 81 13.174 -7.860 -1.596 541 H PHE 82 H PHE 82 14.392 -7.893 -5.994 542 HA PHE 82 HA PHE 82 17.160 -7.668 -6.639 543 HB2 PHE 82 1HB PHE 82 16.242 -7.990 -9.031 544 HB3 PHE 82 2HB PHE 82 16.019 -9.300 -7.876 545 HD1 PHE 82 HD1 PHE 82 13.821 -9.795 -6.964 546 HD2 PHE 82 HD2 PHE 82 14.378 -6.710 -9.843 547 HE1 PHE 82 HE1 PHE 82 11.397 -9.750 -7.379 548 HE2 PHE 82 HE2 PHE 82 11.955 -6.660 -10.262 549 HZ PHE 82 HZ PHE 82 10.460 -8.180 -9.029 550 H CYS 83 H CYS 83 14.515 -5.487 -6.647 551 HA CYS 83 HA CYS 83 15.852 -3.630 -8.466 552 HB2 CYS 83 1HB CYS 83 13.136 -3.543 -7.140 553 HB3 CYS 83 2HB CYS 83 13.767 -2.271 -8.182 554 H LEU 84 H LEU 84 16.856 -4.301 -5.750 555 HA LEU 84 HA LEU 84 16.700 -1.626 -4.527 556 HB2 LEU 84 1HB LEU 84 17.231 -4.329 -3.319 557 HB3 LEU 84 2HB LEU 84 17.536 -2.820 -2.460 558 HG LEU 84 HG LEU 84 14.845 -3.749 -3.461 559 HD11 LEU 84 1HD1 LEU 84 14.312 -4.343 -1.262 560 HD12 LEU 84 2HD1 LEU 84 15.726 -3.521 -0.602 561 HD13 LEU 84 3HD1 LEU 84 15.923 -5.012 -1.523 562 HD21 LEU 84 3HD2 LEU 84 14.695 -1.439 -3.442 563 HD22 LEU 84 1HD2 LEU 84 15.798 -1.276 -2.075 564 HD23 LEU 84 2HD2 LEU 84 14.156 -1.868 -1.818 565 H GLN 85 H GLN 85 18.594 -0.608 -3.851 566 HA GLN 85 HA GLN 85 21.095 -1.805 -4.845 567 HB2 GLN 85 1HB GLN 85 20.520 -0.033 -6.350 568 HB3 GLN 85 2HB GLN 85 20.164 1.060 -5.020 569 HG2 GLN 85 1HG GLN 85 22.320 1.500 -6.173 570 HG3 GLN 85 2HG GLN 85 22.461 1.230 -4.437 571 HE21 GLN 85 1HE2 GLN 85 24.398 0.347 -4.175 572 HE22 GLN 85 2HE2 GLN 85 24.985 -1.050 -5.005 573 HA PRO 86 HA PRO 86 22.588 -2.756 -4.213 574 HB2 PRO 86 1HB PRO 86 23.135 -4.637 -2.332 575 HB3 PRO 86 2HB PRO 86 24.271 -3.355 -2.767 576 HG2 PRO 86 1HG PRO 86 22.393 -3.514 -0.440 577 HG3 PRO 86 2HG PRO 86 24.081 -2.971 -0.481 578 HD2 PRO 86 1HD PRO 86 21.995 -1.244 -0.450 579 HD3 PRO 86 2HD PRO 86 23.522 -0.883 -1.282 580 H VAL 87 H VAL 87 21.951 -5.200 -4.242 581 HA VAL 87 HA VAL 87 19.064 -5.288 -4.116 582 HB VAL 87 HB VAL 87 21.167 -7.100 -5.243 583 HG11 VAL 87 1HG1 VAL 87 18.253 -7.811 -4.918 584 HG12 VAL 87 2HG1 VAL 87 19.451 -8.737 -5.825 585 HG13 VAL 87 3HG1 VAL 87 19.602 -8.571 -4.075 586 HG21 VAL 87 3HG2 VAL 87 20.318 -6.507 -7.285 587 HG22 VAL 87 1HG2 VAL 87 18.690 -6.250 -6.656 588 HG23 VAL 87 2HG2 VAL 87 19.947 -5.047 -6.369 589 H MET 88 H MET 88 17.834 -6.829 -2.985 590 HA MET 88 HA MET 88 19.117 -7.764 -0.526 591 HB2 MET 88 1HB MET 88 16.255 -7.261 -1.303 592 HB3 MET 88 2HB MET 88 16.664 -8.184 0.136 593 HG2 MET 88 1HG MET 88 17.663 -5.399 -0.387 594 HG3 MET 88 2HG MET 88 16.189 -5.758 0.508 595 HE1 MET 88 3HE MET 88 16.972 -7.285 3.595 596 HE2 MET 88 1HE MET 88 16.881 -5.524 3.594 597 HE3 MET 88 2HE MET 88 15.878 -6.459 2.485 598 H LYS 89 H LYS 89 20.172 -9.534 -1.663 599 HA LYS 89 HA LYS 89 19.227 -11.518 -3.177 600 HB2 LYS 89 1HB LYS 89 20.833 -11.952 -0.651 601 HB3 LYS 89 2HB LYS 89 20.694 -13.098 -1.977 602 HG2 LYS 89 1HG LYS 89 21.835 -10.329 -2.263 603 HG3 LYS 89 2HG LYS 89 22.800 -11.777 -1.966 604 HD2 LYS 89 1HD LYS 89 22.228 -12.711 -4.051 605 HD3 LYS 89 2HD LYS 89 20.900 -11.573 -4.287 606 HE2 LYS 89 1HE LYS 89 23.729 -10.612 -4.050 607 HE3 LYS 89 2HE LYS 89 23.107 -11.214 -5.585 608 HZ1 LYS 89 3HZ LYS 89 22.204 -9.238 -5.928 609 HZ2 LYS 89 1HZ LYS 89 22.741 -8.683 -4.422 610 HZ3 LYS 89 2HZ LYS 89 21.230 -9.430 -4.558 611 H SER 90 H SER 90 18.463 -11.094 0.238 612 HA SER 90 HA SER 90 16.281 -13.037 -0.087 613 HB2 SER 90 1HB SER 90 18.264 -12.876 2.184 614 HB3 SER 90 2HB SER 90 16.712 -13.699 2.338 615 HG SER 90 HG SER 90 17.332 -15.092 0.682 616 H VAL 91 H VAL 91 14.790 -12.854 1.964 617 HA VAL 91 HA VAL 91 14.221 -9.988 2.306 618 HB VAL 91 HB VAL 91 12.396 -12.386 2.486 619 HG11 VAL 91 1HG1 VAL 91 10.606 -10.932 3.066 620 HG12 VAL 91 2HG1 VAL 91 11.920 -10.613 4.200 621 HG13 VAL 91 3HG1 VAL 91 11.618 -9.502 2.864 622 HG21 VAL 91 3HG2 VAL 91 11.782 -11.932 0.388 623 HG22 VAL 91 1HG2 VAL 91 11.651 -10.204 0.719 624 HG23 VAL 91 2HG2 VAL 91 13.214 -10.907 0.300 625 HA PRO 92 HA PRO 92 15.308 -10.370 6.576 626 HB2 PRO 92 1HB PRO 92 14.221 -8.032 7.425 627 HB3 PRO 92 2HB PRO 92 15.726 -8.112 6.502 628 HG2 PRO 92 1HG PRO 92 12.954 -7.497 5.555 629 HG3 PRO 92 2HG PRO 92 14.483 -6.706 5.129 630 HD2 PRO 92 1HD PRO 92 13.289 -8.528 3.522 631 HD3 PRO 92 2HD PRO 92 15.052 -8.343 3.610 632 H THR 93 H THR 93 14.309 -10.571 8.660 633 HA THR 93 HA THR 93 11.839 -11.940 8.611 634 HB THR 93 HB THR 93 13.259 -10.790 11.020 635 HG1 THR 93 HG1 THR 93 13.592 -13.191 9.554 636 HG21 THR 93 3HG2 THR 93 11.717 -13.286 11.230 637 HG22 THR 93 1HG2 THR 93 10.755 -11.838 10.936 638 HG23 THR 93 2HG2 THR 93 11.819 -11.920 12.340 639 H ASN 94 H ASN 94 12.639 -8.920 10.342 640 HA ASN 94 HA ASN 94 10.197 -7.671 9.464 641 HB2 ASN 94 1HB ASN 94 9.275 -8.975 11.272 642 HB3 ASN 94 2HB ASN 94 10.559 -8.458 12.361 643 HD21 ASN 94 1HD2 ASN 94 10.527 -6.370 13.196 644 HD22 ASN 94 2HD2 ASN 94 9.102 -5.394 13.163 645 H GLY 95 H GLY 95 10.099 -5.429 9.971 646 HA2 GLY 95 1HA GLY 95 10.937 -3.369 10.634 647 HA3 GLY 95 2HA GLY 95 12.233 -4.203 11.479 648 H TRP 96 H TRP 96 11.117 -3.384 8.207 649 HA TRP 96 HA TRP 96 13.939 -3.278 7.371 650 HB2 TRP 96 1HB TRP 96 12.543 -4.921 6.150 651 HB3 TRP 96 2HB TRP 96 11.481 -3.612 5.638 652 HD1 TRP 96 HD1 TRP 96 15.143 -4.775 5.188 653 HE1 TRP 96 HE1 TRP 96 15.978 -3.916 2.911 654 HE3 TRP 96 HE3 TRP 96 11.070 -2.004 3.824 655 HZ2 TRP 96 HZ2 TRP 96 15.035 -2.278 0.813 656 HZ3 TRP 96 HZ3 TRP 96 11.117 -0.821 1.667 657 HH2 TRP 96 HH2 TRP 96 13.060 -0.957 0.195 658 H LYS 97 H LYS 97 14.645 -1.534 6.085 659 HA LYS 97 HA LYS 97 12.842 0.776 5.919 660 HB2 LYS 97 1HB LYS 97 14.576 0.706 7.928 661 HB3 LYS 97 2HB LYS 97 15.686 1.260 6.681 662 HG2 LYS 97 1HG LYS 97 13.896 3.054 6.202 663 HG3 LYS 97 2HG LYS 97 13.271 2.625 7.796 664 HD2 LYS 97 1HD LYS 97 16.179 3.225 7.455 665 HD3 LYS 97 2HD LYS 97 15.018 4.551 7.547 666 HE2 LYS 97 1HE LYS 97 14.923 2.379 9.590 667 HE3 LYS 97 2HE LYS 97 16.167 3.622 9.713 668 HZ1 LYS 97 3HZ LYS 97 14.609 4.776 10.789 669 HZ2 LYS 97 1HZ LYS 97 13.345 3.794 10.239 670 HZ3 LYS 97 2HZ LYS 97 13.919 5.056 9.270 671 H CYS 98 H CYS 98 13.339 2.273 4.275 672 HA CYS 98 HA CYS 98 14.941 1.123 2.114 673 HB2 CYS 98 1HB CYS 98 13.715 2.503 0.620 674 HB3 CYS 98 2HB CYS 98 12.540 1.865 1.765 675 H LYS 99 H LYS 99 15.972 2.902 0.656 676 HA LYS 99 HA LYS 99 17.984 4.176 2.234 677 HB2 LYS 99 1HB LYS 99 18.760 3.387 0.175 678 HB3 LYS 99 2HB LYS 99 17.378 4.031 -0.702 679 HG2 LYS 99 1HG LYS 99 19.217 5.942 0.639 680 HG3 LYS 99 2HG LYS 99 19.745 5.158 -0.852 681 HD2 LYS 99 1HD LYS 99 17.026 6.362 -0.781 682 HD3 LYS 99 2HD LYS 99 18.415 7.446 -0.877 683 HE2 LYS 99 1HE LYS 99 19.158 6.446 -2.901 684 HE3 LYS 99 2HE LYS 99 18.013 5.116 -2.740 685 HZ1 LYS 99 3HZ LYS 99 16.548 7.482 -2.706 686 HZ2 LYS 99 1HZ LYS 99 16.574 6.295 -3.912 687 HZ3 LYS 99 2HZ LYS 99 17.640 7.605 -3.992 688 H ASN 100 H ASN 100 15.126 5.256 0.492 689 HA ASN 100 HA ASN 100 15.638 8.032 0.669 690 HB2 ASN 100 1HB ASN 100 13.127 6.419 0.253 691 HB3 ASN 100 2HB ASN 100 13.091 8.178 0.345 692 HD21 ASN 100 1HD2 ASN 100 12.752 5.989 -1.812 693 HD22 ASN 100 2HD2 ASN 100 13.651 6.622 -3.145 694 H CYS 101 H CYS 101 14.559 5.713 2.956 695 HA CYS 101 HA CYS 101 13.457 7.749 4.739 696 HB2 CYS 101 1HB CYS 101 13.368 4.773 4.614 697 HB3 CYS 101 2HB CYS 101 13.226 5.530 6.198 698 H ARG 102 H ARG 102 15.863 5.120 4.924 699 HA ARG 102 HA ARG 102 16.985 5.636 7.355 700 HB2 ARG 102 1HB ARG 102 19.062 4.661 6.498 701 HB3 ARG 102 2HB ARG 102 17.660 3.760 5.938 702 HG2 ARG 102 1HG ARG 102 18.835 3.878 3.998 703 HG3 ARG 102 2HG ARG 102 17.900 5.368 3.858 704 HD2 ARG 102 1HD ARG 102 20.041 6.083 3.358 705 HD3 ARG 102 2HD ARG 102 19.916 6.448 5.079 706 HE ARG 102 HE ARG 102 21.480 4.812 5.521 707 HH11 ARG 102 2HH1 ARG 102 20.484 4.650 2.189 708 HH12 ARG 102 1HH1 ARG 102 21.745 3.554 1.730 709 HH21 ARG 102 2HH2 ARG 102 23.144 3.369 4.929 710 HH22 ARG 102 1HH2 ARG 102 23.257 2.825 3.289 711 H ILE 103 H ILE 103 17.105 7.625 4.557 712 HA ILE 103 HA ILE 103 19.375 9.059 4.631 713 HB ILE 103 HB ILE 103 16.605 10.252 4.481 714 HG12 ILE 103 1HG1 ILE 103 16.751 8.699 2.729 715 HG13 ILE 103 2HG1 ILE 103 17.232 10.216 1.975 716 HG21 ILE 103 1HG2 ILE 103 19.091 11.447 3.305 717 HG22 ILE 103 2HG2 ILE 103 17.528 12.207 3.602 718 HG23 ILE 103 3HG2 ILE 103 18.586 11.811 4.955 719 HD11 ILE 103 3HD1 ILE 103 18.677 8.430 1.255 720 HD12 ILE 103 1HD1 ILE 103 19.587 9.571 2.245 721 HD13 ILE 103 2HD1 ILE 103 19.066 8.030 2.927 722 H CYS 104 H CYS 104 20.537 9.792 6.277 723 HA CYS 104 HA CYS 104 19.413 10.395 8.828 724 HB2 CYS 104 1HB CYS 104 22.163 10.644 7.637 725 HB3 CYS 104 2HB CYS 104 21.808 11.293 9.233 726 HG CYS 104 HG CYS 104 22.962 8.958 9.875 727 H ILE 105 H ILE 105 19.961 12.513 9.943 728 HA ILE 105 HA ILE 105 18.791 14.646 8.411 729 HB ILE 105 HB ILE 105 19.883 14.656 11.227 730 HG12 ILE 105 1HG1 ILE 105 16.994 14.599 10.357 731 HG13 ILE 105 2HG1 ILE 105 17.909 13.131 10.681 732 HG21 ILE 105 1HG2 ILE 105 19.674 16.872 9.916 733 HG22 ILE 105 2HG2 ILE 105 17.938 16.642 10.119 734 HG23 ILE 105 3HG2 ILE 105 18.981 16.772 11.535 735 HD11 ILE 105 3HD1 ILE 105 16.477 14.659 12.502 736 HD12 ILE 105 1HD1 ILE 105 17.589 13.339 12.860 737 HD13 ILE 105 2HD1 ILE 105 18.171 15.004 12.850 738 H SER 106 H SER 106 20.242 15.235 6.819 739 HA SER 106 HA SER 106 22.623 16.662 7.783 740 HB2 SER 106 1HB SER 106 23.987 15.792 6.014 741 HB3 SER 106 2HB SER 106 23.223 14.412 6.804 742 HG SER 106 HG SER 106 22.118 14.008 5.045 743 H GLY 107 H GLY 107 22.791 18.676 7.024 744 HA2 GLY 107 1HA GLY 107 22.687 19.993 4.858 745 HA3 GLY 107 2HA GLY 107 21.022 19.435 4.785 746 HA PRO 108 HA PRO 108 21.462 23.529 7.135 747 HB2 PRO 108 1HB PRO 108 20.281 25.131 5.288 748 HB3 PRO 108 2HB PRO 108 22.021 24.824 5.321 749 HG2 PRO 108 1HG PRO 108 19.909 23.571 3.610 750 HG3 PRO 108 2HG PRO 108 21.528 24.133 3.156 751 HD2 PRO 108 1HD PRO 108 20.963 21.522 3.597 752 HD3 PRO 108 2HD PRO 108 22.551 22.229 3.958 753 H SER 109 H SER 109 19.889 22.449 8.467 754 HA SER 109 HA SER 109 17.180 22.143 7.737 755 HB2 SER 109 1HB SER 109 18.643 22.186 10.362 756 HB3 SER 109 2HB SER 109 16.881 22.118 10.323 757 HG SER 109 HG SER 109 16.995 20.191 9.217 758 H SER 110 H SER 110 15.876 23.758 7.197 759 HA SER 110 HA SER 110 16.105 26.308 8.650 760 HB2 SER 110 1HB SER 110 15.246 27.421 6.731 761 HB3 SER 110 2HB SER 110 16.442 26.276 6.123 762 HG SER 110 HG SER 110 13.622 25.962 6.137 763 H GLY 111 H GLY 111 13.888 27.539 8.564 764 HA2 GLY 111 1HA GLY 111 12.000 25.810 9.947 765 HA3 GLY 111 2HA GLY 111 11.934 27.564 9.852 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -27.107 4.698 -14.271 2 HA2 GLY 1 1HA GLY 1 -27.616 2.980 -12.806 3 HA3 GLY 1 2HA GLY 1 -26.785 2.026 -14.026 4 H SER 2 H SER 2 -26.498 3.615 -10.928 5 HA SER 2 HA SER 2 -23.940 2.218 -10.495 6 HB2 SER 2 1HB SER 2 -23.338 3.922 -8.906 7 HB3 SER 2 2HB SER 2 -23.875 4.731 -10.378 8 HG SER 2 HG SER 2 -24.744 5.256 -8.048 9 H SER 3 H SER 3 -23.582 1.225 -8.458 10 HA SER 3 HA SER 3 -25.727 -0.268 -7.476 11 HB2 SER 3 1HB SER 3 -24.187 -0.919 -5.642 12 HB3 SER 3 2HB SER 3 -23.419 -1.015 -7.227 13 HG SER 3 HG SER 3 -22.732 1.267 -6.653 14 H GLY 4 H GLY 4 -26.748 -0.249 -5.395 15 HA2 GLY 4 1HA GLY 4 -27.325 2.471 -4.509 16 HA3 GLY 4 2HA GLY 4 -28.234 1.025 -4.094 17 H SER 5 H SER 5 -24.837 2.044 -3.716 18 HA SER 5 HA SER 5 -24.989 1.152 -0.917 19 HB2 SER 5 1HB SER 5 -22.516 1.625 -2.597 20 HB3 SER 5 2HB SER 5 -22.576 0.898 -0.992 21 HG SER 5 HG SER 5 -22.820 -0.917 -2.004 22 H SER 6 H SER 6 -23.537 3.708 -2.928 23 HA SER 6 HA SER 6 -22.924 5.851 -2.459 24 HB2 SER 6 1HB SER 6 -25.451 5.463 -0.901 25 HB3 SER 6 2HB SER 6 -24.547 6.964 -0.705 26 HG SER 6 HG SER 6 -24.615 7.037 -3.098 27 H GLY 7 H GLY 7 -21.328 4.049 -1.178 28 HA2 GLY 7 1HA GLY 7 -20.258 5.614 0.941 29 HA3 GLY 7 2HA GLY 7 -21.079 4.197 1.578 30 H ALA 8 H ALA 8 -18.174 5.093 1.379 31 HA ALA 8 HA ALA 8 -17.108 2.727 -0.012 32 HB1 ALA 8 3HB ALA 8 -15.410 5.021 0.884 33 HB2 ALA 8 1HB ALA 8 -15.136 3.870 -0.424 34 HB3 ALA 8 2HB ALA 8 -16.356 5.132 -0.600 35 H ASN 9 H ASN 9 -17.066 1.114 1.456 36 HA ASN 9 HA ASN 9 -15.978 1.673 4.125 37 HB2 ASN 9 1HB ASN 9 -17.205 -0.952 3.354 38 HB3 ASN 9 2HB ASN 9 -17.151 -0.169 4.931 39 HD21 ASN 9 1HD2 ASN 9 -19.402 -1.277 3.410 40 HD22 ASN 9 2HD2 ASN 9 -20.542 0.012 3.258 41 H CYS 10 H CYS 10 -14.728 -0.281 5.056 42 HA CYS 10 HA CYS 10 -12.297 -0.519 3.794 43 HB2 CYS 10 1HB CYS 10 -13.153 -1.244 6.199 44 HB3 CYS 10 2HB CYS 10 -13.239 -2.828 5.434 45 H ALA 11 H ALA 11 -11.388 -1.843 2.308 46 HA ALA 11 HA ALA 11 -13.193 -3.509 0.749 47 HB1 ALA 11 3HB ALA 11 -10.392 -2.522 0.286 48 HB2 ALA 11 1HB ALA 11 -11.180 -3.688 -0.778 49 HB3 ALA 11 2HB ALA 11 -11.866 -2.076 -0.572 50 H VAL 12 H VAL 12 -11.563 -4.056 3.455 51 HA VAL 12 HA VAL 12 -10.806 -6.799 2.680 52 HB VAL 12 HB VAL 12 -9.360 -6.610 4.857 53 HG11 VAL 12 1HG1 VAL 12 -7.459 -5.761 3.478 54 HG12 VAL 12 2HG1 VAL 12 -8.391 -7.051 2.714 55 HG13 VAL 12 3HG1 VAL 12 -8.621 -5.376 2.209 56 HG21 VAL 12 3HG2 VAL 12 -10.004 -4.487 5.661 57 HG22 VAL 12 1HG2 VAL 12 -8.387 -4.271 4.993 58 HG23 VAL 12 2HG2 VAL 12 -9.797 -3.738 4.079 59 H CYS 13 H CYS 13 -12.154 -4.743 5.223 60 HA CYS 13 HA CYS 13 -13.273 -7.136 6.515 61 HB2 CYS 13 1HB CYS 13 -13.345 -5.958 8.541 62 HB3 CYS 13 2HB CYS 13 -11.828 -5.441 7.813 63 H ASP 14 H ASP 14 -14.065 -4.363 4.684 64 HA ASP 14 HA ASP 14 -16.027 -3.528 3.891 65 HB2 ASP 14 1HB ASP 14 -17.235 -6.117 4.884 66 HB3 ASP 14 2HB ASP 14 -17.913 -5.036 3.669 67 H SER 15 H SER 15 -15.278 -2.668 6.409 68 HA SER 15 HA SER 15 -17.900 -2.279 7.691 69 HB2 SER 15 1HB SER 15 -16.059 -3.766 8.896 70 HB3 SER 15 2HB SER 15 -15.429 -2.187 9.366 71 HG SER 15 HG SER 15 -17.401 -3.506 10.482 72 HA PRO 16 HA PRO 16 -17.106 2.021 7.195 73 HB2 PRO 16 1HB PRO 16 -18.752 2.990 9.124 74 HB3 PRO 16 2HB PRO 16 -19.348 2.327 7.598 75 HG2 PRO 16 1HG PRO 16 -19.175 1.027 10.289 76 HG3 PRO 16 2HG PRO 16 -20.492 0.972 9.103 77 HD2 PRO 16 1HD PRO 16 -18.709 -1.044 9.394 78 HD3 PRO 16 2HD PRO 16 -19.447 -0.642 7.831 79 H GLY 17 H GLY 17 -17.255 0.944 10.600 80 HA2 GLY 17 1HA GLY 17 -16.143 1.805 12.453 81 HA3 GLY 17 2HA GLY 17 -14.759 1.366 11.462 82 H ASP 18 H ASP 18 -13.324 2.955 11.733 83 HA ASP 18 HA ASP 18 -14.225 5.729 11.816 84 HB2 ASP 18 1HB ASP 18 -11.660 4.327 12.487 85 HB3 ASP 18 2HB ASP 18 -11.658 6.064 12.192 86 H LEU 19 H LEU 19 -14.111 7.061 10.133 87 HA LEU 19 HA LEU 19 -13.136 6.115 7.607 88 HB2 LEU 19 1HB LEU 19 -14.486 8.589 8.581 89 HB3 LEU 19 2HB LEU 19 -13.701 8.602 7.003 90 HG LEU 19 HG LEU 19 -16.127 8.175 6.878 91 HD11 LEU 19 1HD1 LEU 19 -15.476 7.214 4.984 92 HD12 LEU 19 2HD1 LEU 19 -15.538 5.670 5.833 93 HD13 LEU 19 3HD1 LEU 19 -14.020 6.563 5.737 94 HD21 LEU 19 3HD2 LEU 19 -15.692 6.557 9.075 95 HD22 LEU 19 1HD2 LEU 19 -15.985 5.415 7.764 96 HD23 LEU 19 2HD2 LEU 19 -17.179 6.661 8.130 97 H LEU 20 H LEU 20 -12.112 8.523 9.979 98 HA LEU 20 HA LEU 20 -9.956 9.541 8.428 99 HB2 LEU 20 1HB LEU 20 -10.457 9.620 11.399 100 HB3 LEU 20 2HB LEU 20 -9.197 10.530 10.567 101 HG LEU 20 HG LEU 20 -12.138 10.874 10.006 102 HD11 LEU 20 1HD1 LEU 20 -11.378 13.130 11.306 103 HD12 LEU 20 2HD1 LEU 20 -10.470 11.902 12.189 104 HD13 LEU 20 3HD1 LEU 20 -12.224 11.777 12.057 105 HD21 LEU 20 3HD2 LEU 20 -10.023 11.612 8.492 106 HD22 LEU 20 1HD2 LEU 20 -10.194 13.028 9.529 107 HD23 LEU 20 2HD2 LEU 20 -11.555 12.484 8.547 108 H ASP 21 H ASP 21 -10.302 6.920 10.723 109 HA ASP 21 HA ASP 21 -7.577 6.435 11.220 110 HB2 ASP 21 1HB ASP 21 -9.934 4.539 11.241 111 HB3 ASP 21 2HB ASP 21 -8.334 4.145 11.865 112 H GLN 22 H GLN 22 -9.794 4.941 8.868 113 HA GLN 22 HA GLN 22 -7.716 3.407 7.635 114 HB2 GLN 22 1HB GLN 22 -9.444 2.867 5.945 115 HB3 GLN 22 2HB GLN 22 -9.989 2.580 7.592 116 HG2 GLN 22 1HG GLN 22 -10.944 5.011 7.362 117 HG3 GLN 22 2HG GLN 22 -10.854 4.647 5.639 118 HE21 GLN 22 1HE2 GLN 22 -11.423 1.906 5.772 119 HE22 GLN 22 2HE2 GLN 22 -13.076 1.717 6.239 120 H PHE 23 H PHE 23 -6.515 3.849 5.866 121 HA PHE 23 HA PHE 23 -6.301 6.570 5.021 122 HB2 PHE 23 1HB PHE 23 -4.978 4.074 3.937 123 HB3 PHE 23 2HB PHE 23 -4.530 5.724 3.517 124 HD1 PHE 23 HD2 PHE 23 -4.694 3.302 6.305 125 HD2 PHE 23 HD1 PHE 23 -3.078 6.970 4.875 126 HE1 PHE 23 HE2 PHE 23 -3.150 3.363 8.219 127 HE2 PHE 23 HE1 PHE 23 -1.530 7.037 6.786 128 HZ PHE 23 HZ PHE 23 -1.566 5.233 8.462 129 H PHE 24 H PHE 24 -6.423 7.297 2.791 130 HA PHE 24 HA PHE 24 -8.457 5.833 1.241 131 HB2 PHE 24 1HB PHE 24 -9.630 7.717 1.926 132 HB3 PHE 24 2HB PHE 24 -8.203 8.748 1.879 133 HD1 PHE 24 HD1 PHE 24 -10.816 7.140 -0.142 134 HD2 PHE 24 HD2 PHE 24 -7.550 9.870 -0.120 135 HE1 PHE 24 HE1 PHE 24 -11.486 7.954 -2.366 136 HE2 PHE 24 HE2 PHE 24 -8.215 10.689 -2.343 137 HZ PHE 24 HZ PHE 24 -10.185 9.731 -3.468 138 H CYS 25 H CYS 25 -7.180 4.833 -0.239 139 HA CYS 25 HA CYS 25 -4.844 5.650 -1.392 140 HB2 CYS 25 1HB CYS 25 -5.977 3.439 -1.732 141 HB3 CYS 25 2HB CYS 25 -7.051 4.223 -2.886 142 H THR 26 H THR 26 -4.303 6.629 -3.414 143 HA THR 26 HA THR 26 -6.169 8.775 -4.141 144 HB THR 26 HB THR 26 -4.161 9.817 -5.239 145 HG1 THR 26 HG1 THR 26 -2.544 8.082 -3.731 146 HG21 THR 26 3HG2 THR 26 -3.279 9.432 -2.459 147 HG22 THR 26 1HG2 THR 26 -4.966 9.912 -2.645 148 HG23 THR 26 2HG2 THR 26 -3.684 10.914 -3.326 149 H THR 27 H THR 27 -4.476 6.011 -5.408 150 HA THR 27 HA THR 27 -4.902 6.613 -8.170 151 HB THR 27 HB THR 27 -4.234 3.994 -6.814 152 HG1 THR 27 HG1 THR 27 -2.135 4.496 -7.459 153 HG21 THR 27 3HG2 THR 27 -3.562 3.234 -9.058 154 HG22 THR 27 1HG2 THR 27 -4.195 4.729 -9.744 155 HG23 THR 27 2HG2 THR 27 -5.288 3.582 -8.970 156 H CYS 28 H CYS 28 -6.243 3.961 -6.192 157 HA CYS 28 HA CYS 28 -8.491 3.716 -8.000 158 HB2 CYS 28 1HB CYS 28 -9.095 1.767 -6.706 159 HB3 CYS 28 2HB CYS 28 -7.363 1.722 -7.022 160 H GLY 29 H GLY 29 -7.889 4.746 -4.674 161 HA2 GLY 29 1HA GLY 29 -9.122 6.378 -3.522 162 HA3 GLY 29 2HA GLY 29 -10.400 6.227 -4.719 163 H GLN 30 H GLN 30 -8.863 3.672 -2.807 164 HA GLN 30 HA GLN 30 -11.521 2.959 -1.789 165 HB2 GLN 30 1HB GLN 30 -9.018 1.415 -2.321 166 HB3 GLN 30 2HB GLN 30 -10.137 0.825 -1.099 167 HG2 GLN 30 1HG GLN 30 -11.260 1.556 -3.740 168 HG3 GLN 30 2HG GLN 30 -10.280 0.093 -3.642 169 HE21 GLN 30 1HE2 GLN 30 -12.944 1.729 -1.971 170 HE22 GLN 30 2HE2 GLN 30 -13.831 0.291 -1.611 171 H HIS 31 H HIS 31 -11.451 1.895 0.448 172 HA HIS 31 HA HIS 31 -9.757 3.535 2.217 173 HB2 HIS 31 1HB HIS 31 -12.561 2.502 2.687 174 HB3 HIS 31 2HB HIS 31 -11.589 3.346 3.889 175 HD1 HIS 31 HD1 HIS 31 -14.243 4.560 3.128 176 HD2 HIS 31 HD2 HIS 31 -10.697 5.460 1.158 177 HE1 HIS 31 HE1 HIS 31 -14.622 6.802 2.052 178 HE2 HIS 31 HE2 HIS 31 -12.493 7.286 0.796 179 H TYR 32 H TYR 32 -8.680 2.558 3.871 180 HA TYR 32 HA TYR 32 -9.174 -0.260 4.439 181 HB2 TYR 32 1HB TYR 32 -6.457 0.773 3.596 182 HB3 TYR 32 2HB TYR 32 -6.809 -0.858 4.155 183 HD1 TYR 32 HD2 TYR 32 -7.221 1.526 1.390 184 HD2 TYR 32 HD1 TYR 32 -7.870 -2.466 2.710 185 HE1 TYR 32 HE2 TYR 32 -7.715 0.848 -0.922 186 HE2 TYR 32 HE1 TYR 32 -8.364 -3.156 0.401 187 HH TYR 32 HH TYR 32 -9.269 -1.827 -1.763 188 H HIS 33 H HIS 33 -9.049 -0.645 6.551 189 HA HIS 33 HA HIS 33 -8.385 1.428 8.382 190 HB2 HIS 33 1HB HIS 33 -9.041 -1.495 8.745 191 HB3 HIS 33 2HB HIS 33 -8.688 -0.428 10.101 192 HD2 HIS 33 HD2 HIS 33 -10.514 2.111 9.485 193 HE1 HIS 33 HE1 HIS 33 -13.682 -0.651 8.904 194 HE2 HIS 33 HE2 HIS 33 -13.067 1.767 9.252 195 H GLY 34 H GLY 34 -6.767 1.316 10.074 196 HA2 GLY 34 1HA GLY 34 -4.190 0.692 9.038 197 HA3 GLY 34 2HA GLY 34 -4.544 1.253 10.665 198 H MET 35 H MET 35 -6.481 -1.114 10.862 199 HA MET 35 HA MET 35 -4.465 -2.989 11.826 200 HB2 MET 35 1HB MET 35 -7.337 -2.480 12.400 201 HB3 MET 35 2HB MET 35 -6.757 -4.127 12.607 202 HG2 MET 35 1HG MET 35 -6.518 -3.183 14.710 203 HG3 MET 35 2HG MET 35 -4.897 -3.097 14.024 204 HE1 MET 35 3HE MET 35 -3.952 -0.932 12.843 205 HE2 MET 35 1HE MET 35 -4.039 0.515 13.848 206 HE3 MET 35 2HE MET 35 -3.526 -1.018 14.553 207 H CYS 36 H CYS 36 -7.342 -2.976 9.738 208 HA CYS 36 HA CYS 36 -7.295 -5.644 8.956 209 HB2 CYS 36 1HB CYS 36 -8.155 -3.221 7.362 210 HB3 CYS 36 2HB CYS 36 -8.541 -4.888 6.948 211 H LEU 37 H LEU 37 -5.109 -3.133 8.217 212 HA LEU 37 HA LEU 37 -3.926 -4.751 6.057 213 HB2 LEU 37 1HB LEU 37 -3.961 -1.780 6.499 214 HB3 LEU 37 2HB LEU 37 -2.812 -2.554 5.410 215 HG LEU 37 HG LEU 37 -4.960 -1.513 4.433 216 HD11 LEU 37 1HD1 LEU 37 -3.637 -2.678 2.939 217 HD12 LEU 37 2HD1 LEU 37 -5.160 -3.564 2.863 218 HD13 LEU 37 3HD1 LEU 37 -3.815 -4.203 3.808 219 HD21 LEU 37 3HD2 LEU 37 -6.924 -2.837 4.449 220 HD22 LEU 37 1HD2 LEU 37 -6.419 -2.673 6.131 221 HD23 LEU 37 2HD2 LEU 37 -6.103 -4.172 5.258 222 H ASP 38 H ASP 38 -3.584 -3.944 9.223 223 HA ASP 38 HA ASP 38 -1.898 -4.141 10.738 224 HB2 ASP 38 1HB ASP 38 -0.450 -5.448 8.424 225 HB3 ASP 38 2HB ASP 38 0.073 -5.495 10.106 226 H ILE 39 H ILE 39 -2.143 -1.728 9.210 227 HA ILE 39 HA ILE 39 0.639 -0.860 8.877 228 HB ILE 39 HB ILE 39 -1.893 0.616 8.146 229 HG12 ILE 39 1HG1 ILE 39 0.028 -0.891 6.358 230 HG13 ILE 39 2HG1 ILE 39 -1.558 -1.478 6.848 231 HG21 ILE 39 1HG2 ILE 39 -0.580 2.380 7.858 232 HG22 ILE 39 2HG2 ILE 39 0.829 1.441 8.350 233 HG23 ILE 39 3HG2 ILE 39 0.343 1.479 6.656 234 HD11 ILE 39 3HD1 ILE 39 -1.635 1.175 5.656 235 HD12 ILE 39 1HD1 ILE 39 -1.002 -0.066 4.575 236 HD13 ILE 39 2HD1 ILE 39 -2.597 -0.261 5.303 237 H ALA 40 H ALA 40 1.537 0.761 10.079 238 HA ALA 40 HA ALA 40 0.149 1.430 12.556 239 HB1 ALA 40 3HB ALA 40 2.677 0.652 12.176 240 HB2 ALA 40 1HB ALA 40 2.902 2.399 12.076 241 HB3 ALA 40 2HB ALA 40 2.184 1.682 13.520 242 H VAL 41 H VAL 41 -1.234 3.089 12.251 243 HA VAL 41 HA VAL 41 -1.177 5.141 10.462 244 HB VAL 41 HB VAL 41 -2.095 5.290 13.336 245 HG11 VAL 41 1HG1 VAL 41 -3.644 7.082 12.194 246 HG12 VAL 41 2HG1 VAL 41 -2.040 7.517 12.788 247 HG13 VAL 41 3HG1 VAL 41 -2.292 7.212 11.069 248 HG21 VAL 41 3HG2 VAL 41 -3.710 4.827 10.834 249 HG22 VAL 41 1HG2 VAL 41 -3.133 3.537 11.888 250 HG23 VAL 41 2HG2 VAL 41 -4.268 4.738 12.504 251 H THR 42 H THR 42 0.623 6.253 9.969 252 HA THR 42 HA THR 42 1.976 7.687 12.161 253 HB THR 42 HB THR 42 4.038 7.636 10.716 254 HG1 THR 42 HG1 THR 42 3.925 6.696 8.826 255 HG21 THR 42 3HG2 THR 42 3.037 5.736 12.488 256 HG22 THR 42 1HG2 THR 42 4.713 5.917 11.972 257 HG23 THR 42 2HG2 THR 42 3.646 4.797 11.126 258 HA PRO 43 HA PRO 43 1.141 11.449 10.055 259 HB2 PRO 43 1HB PRO 43 3.316 12.922 10.740 260 HB3 PRO 43 2HB PRO 43 2.026 12.526 11.881 261 HG2 PRO 43 1HG PRO 43 4.698 11.226 11.518 262 HG3 PRO 43 2HG PRO 43 3.856 11.651 13.019 263 HD2 PRO 43 1HD PRO 43 3.885 9.131 12.029 264 HD3 PRO 43 2HD PRO 43 2.508 9.783 12.941 265 H LEU 44 H LEU 44 3.456 9.340 9.030 266 HA LEU 44 HA LEU 44 4.448 11.113 6.907 267 HB2 LEU 44 1HB LEU 44 6.215 10.043 8.101 268 HB3 LEU 44 2HB LEU 44 5.438 8.468 7.949 269 HG LEU 44 HG LEU 44 5.784 8.835 5.398 270 HD11 LEU 44 1HD1 LEU 44 6.861 11.221 6.338 271 HD12 LEU 44 2HD1 LEU 44 7.003 10.559 4.710 272 HD13 LEU 44 3HD1 LEU 44 8.257 10.233 5.906 273 HD21 LEU 44 3HD2 LEU 44 7.931 7.737 5.526 274 HD22 LEU 44 1HD2 LEU 44 6.876 7.118 6.797 275 HD23 LEU 44 2HD2 LEU 44 8.145 8.278 7.192 276 H LYS 45 H LYS 45 2.833 8.034 7.494 277 HA LYS 45 HA LYS 45 2.608 7.329 4.737 278 HB2 LYS 45 1HB LYS 45 1.376 6.320 7.281 279 HB3 LYS 45 2HB LYS 45 0.779 5.760 5.724 280 HG2 LYS 45 1HG LYS 45 2.895 4.826 5.160 281 HG3 LYS 45 2HG LYS 45 3.663 5.581 6.559 282 HD2 LYS 45 1HD LYS 45 1.798 4.204 7.851 283 HD3 LYS 45 2HD LYS 45 1.902 3.191 6.409 284 HE2 LYS 45 1HE LYS 45 4.495 3.424 6.879 285 HE3 LYS 45 2HE LYS 45 3.928 3.715 8.523 286 HZ1 LYS 45 3HZ LYS 45 3.076 1.366 6.932 287 HZ2 LYS 45 1HZ LYS 45 2.903 1.614 8.597 288 HZ3 LYS 45 2HZ LYS 45 4.436 1.342 7.937 289 H ARG 46 H ARG 46 0.319 8.642 7.125 290 HA ARG 46 HA ARG 46 -2.015 8.791 5.854 291 HB2 ARG 46 1HB ARG 46 -0.592 10.922 7.421 292 HB3 ARG 46 2HB ARG 46 -2.197 11.215 6.764 293 HG2 ARG 46 1HG ARG 46 -3.091 9.356 8.026 294 HG3 ARG 46 2HG ARG 46 -1.480 8.962 8.628 295 HD2 ARG 46 1HD ARG 46 -1.374 11.155 9.730 296 HD3 ARG 46 2HD ARG 46 -2.999 11.516 9.149 297 HE ARG 46 HE ARG 46 -3.364 9.221 10.502 298 HH11 ARG 46 2HH1 ARG 46 -1.772 12.205 11.324 299 HH12 ARG 46 1HH1 ARG 46 -2.115 12.073 13.017 300 HH21 ARG 46 2HH2 ARG 46 -3.822 9.035 12.729 301 HH22 ARG 46 1HH2 ARG 46 -3.280 10.269 13.815 302 H ALA 47 H ALA 47 0.752 10.868 5.100 303 HA ALA 47 HA ALA 47 -0.450 12.532 3.219 304 HB1 ALA 47 3HB ALA 47 1.971 12.545 2.232 305 HB2 ALA 47 1HB ALA 47 1.654 13.234 3.825 306 HB3 ALA 47 2HB ALA 47 2.352 11.620 3.685 307 H GLY 48 H GLY 48 -1.650 11.825 1.564 308 HA2 GLY 48 1HA GLY 48 -2.372 10.462 -0.167 309 HA3 GLY 48 2HA GLY 48 -0.757 10.813 -0.765 310 H TRP 49 H TRP 49 -2.120 8.722 1.785 311 HA TRP 49 HA TRP 49 -0.178 6.728 1.590 312 HB2 TRP 49 1HB TRP 49 -1.576 6.761 3.518 313 HB3 TRP 49 2HB TRP 49 -3.039 6.647 2.545 314 HD1 TRP 49 HD1 TRP 49 -0.120 4.496 3.812 315 HE1 TRP 49 HE1 TRP 49 -0.809 2.020 3.660 316 HE3 TRP 49 HE3 TRP 49 -4.570 5.040 1.354 317 HZ2 TRP 49 HZ2 TRP 49 -2.954 0.500 2.633 318 HZ3 TRP 49 HZ3 TRP 49 -5.878 3.025 0.823 319 HH2 TRP 49 HH2 TRP 49 -5.085 0.803 1.450 320 H GLN 50 H GLN 50 -0.030 4.814 0.468 321 HA GLN 50 HA GLN 50 -1.843 4.559 -1.837 322 HB2 GLN 50 1HB GLN 50 1.076 4.122 -1.484 323 HB3 GLN 50 2HB GLN 50 0.229 3.041 -2.584 324 HG2 GLN 50 1HG GLN 50 -0.723 5.340 -3.501 325 HG3 GLN 50 2HG GLN 50 0.790 5.938 -2.821 326 HE21 GLN 50 1HE2 GLN 50 -0.575 3.563 -5.034 327 HE22 GLN 50 2HE2 GLN 50 0.807 3.459 -6.065 328 H CYS 51 H CYS 51 -3.032 2.770 -2.067 329 HA CYS 51 HA CYS 51 -3.052 0.814 0.030 330 HB2 CYS 51 1HB CYS 51 -5.048 0.061 -0.879 331 HB3 CYS 51 2HB CYS 51 -5.037 1.745 -1.393 332 HA PRO 52 HA PRO 52 -0.519 -2.337 -1.675 333 HB2 PRO 52 1HB PRO 52 -1.860 -4.586 -0.958 334 HB3 PRO 52 2HB PRO 52 -0.984 -3.580 0.201 335 HG2 PRO 52 1HG PRO 52 -3.913 -3.651 -0.412 336 HG3 PRO 52 2HG PRO 52 -3.101 -3.556 1.162 337 HD2 PRO 52 1HD PRO 52 -4.166 -1.388 -0.062 338 HD3 PRO 52 2HD PRO 52 -2.726 -1.290 0.972 339 H GLU 53 H GLU 53 -3.686 -1.846 -2.803 340 HA GLU 53 HA GLU 53 -3.537 -3.927 -4.837 341 HB2 GLU 53 1HB GLU 53 -5.675 -1.834 -4.410 342 HB3 GLU 53 2HB GLU 53 -5.788 -3.253 -5.441 343 HG2 GLU 53 1HG GLU 53 -5.376 -4.588 -3.280 344 HG3 GLU 53 2HG GLU 53 -5.810 -3.091 -2.457 345 H CYS 54 H CYS 54 -2.751 -0.634 -4.442 346 HA CYS 54 HA CYS 54 -2.523 -0.300 -7.362 347 HB2 CYS 54 1HB CYS 54 -2.981 1.772 -5.210 348 HB3 CYS 54 2HB CYS 54 -2.583 2.169 -6.878 349 H LYS 55 H LYS 55 -0.870 -0.478 -4.391 350 HA LYS 55 HA LYS 55 1.397 1.097 -4.931 351 HB2 LYS 55 1HB LYS 55 1.108 0.419 -2.695 352 HB3 LYS 55 2HB LYS 55 0.905 -1.269 -3.142 353 HG2 LYS 55 1HG LYS 55 3.359 -1.062 -3.980 354 HG3 LYS 55 2HG LYS 55 3.405 0.339 -2.907 355 HD2 LYS 55 1HD LYS 55 2.379 -2.301 -1.931 356 HD3 LYS 55 2HD LYS 55 4.113 -1.975 -1.987 357 HE2 LYS 55 1HE LYS 55 3.620 -1.284 0.144 358 HE3 LYS 55 2HE LYS 55 3.418 0.227 -0.742 359 HZ1 LYS 55 3HZ LYS 55 1.319 -1.590 0.277 360 HZ2 LYS 55 1HZ LYS 55 0.992 -0.429 -0.911 361 HZ3 LYS 55 2HZ LYS 55 1.542 0.053 0.614 362 H VAL 56 H VAL 56 3.314 0.683 -5.935 363 HA VAL 56 HA VAL 56 3.917 -1.972 -6.934 364 HB VAL 56 HB VAL 56 4.052 -1.404 -9.247 365 HG11 VAL 56 1HG1 VAL 56 1.825 -2.036 -8.355 366 HG12 VAL 56 2HG1 VAL 56 1.430 -0.321 -8.224 367 HG13 VAL 56 3HG1 VAL 56 1.741 -1.037 -9.806 368 HG21 VAL 56 3HG2 VAL 56 3.754 1.365 -8.238 369 HG22 VAL 56 1HG2 VAL 56 4.754 0.735 -9.547 370 HG23 VAL 56 2HG2 VAL 56 3.029 0.998 -9.804 371 H CYS 57 H CYS 57 6.055 -2.026 -8.042 372 HA CYS 57 HA CYS 57 8.036 -0.837 -6.489 373 HB2 CYS 57 1HB CYS 57 8.311 -2.881 -7.905 374 HB3 CYS 57 2HB CYS 57 8.357 -1.839 -9.324 375 H GLN 58 H GLN 58 9.601 0.776 -6.980 376 HA GLN 58 HA GLN 58 8.563 2.869 -8.769 377 HB2 GLN 58 1HB GLN 58 10.349 3.100 -6.342 378 HB3 GLN 58 2HB GLN 58 9.886 4.445 -7.376 379 HG2 GLN 58 1HG GLN 58 7.855 2.735 -5.983 380 HG3 GLN 58 2HG GLN 58 8.598 4.136 -5.212 381 HE21 GLN 58 1HE2 GLN 58 6.094 3.060 -7.143 382 HE22 GLN 58 2HE2 GLN 58 5.533 4.587 -7.724 383 H ASN 59 H ASN 59 11.105 0.668 -8.291 384 HA ASN 59 HA ASN 59 13.112 2.178 -9.714 385 HB2 ASN 59 1HB ASN 59 13.260 -0.780 -9.210 386 HB3 ASN 59 2HB ASN 59 14.568 0.397 -9.283 387 HD21 ASN 59 1HD2 ASN 59 15.348 1.128 -7.437 388 HD22 ASN 59 2HD2 ASN 59 14.591 0.978 -5.891 389 H CYS 60 H CYS 60 11.047 -0.632 -10.374 390 HA CYS 60 HA CYS 60 11.767 -0.420 -13.219 391 HB2 CYS 60 1HB CYS 60 11.138 -2.714 -13.473 392 HB3 CYS 60 2HB CYS 60 12.165 -2.613 -12.046 393 H LYS 61 H LYS 61 9.173 -0.221 -10.932 394 HA LYS 61 HA LYS 61 7.021 0.492 -11.119 395 HB2 LYS 61 1HB LYS 61 7.798 1.229 -13.947 396 HB3 LYS 61 2HB LYS 61 6.367 1.787 -13.090 397 HG2 LYS 61 1HG LYS 61 9.064 2.304 -11.928 398 HG3 LYS 61 2HG LYS 61 8.479 3.301 -13.262 399 HD2 LYS 61 1HD LYS 61 6.739 2.820 -10.877 400 HD3 LYS 61 2HD LYS 61 8.022 4.030 -10.804 401 HE2 LYS 61 1HE LYS 61 7.036 4.976 -12.949 402 HE3 LYS 61 2HE LYS 61 5.644 3.939 -12.642 403 HZ1 LYS 61 3HZ LYS 61 6.641 5.836 -10.606 404 HZ2 LYS 61 1HZ LYS 61 5.123 5.095 -10.701 405 HZ3 LYS 61 2HZ LYS 61 5.539 6.314 -11.797 406 H GLN 62 H GLN 62 7.219 -2.132 -11.245 407 HA GLN 62 HA GLN 62 5.069 -2.871 -13.041 408 HB2 GLN 62 1HB GLN 62 7.691 -4.372 -13.108 409 HB3 GLN 62 2HB GLN 62 6.236 -4.776 -14.009 410 HG2 GLN 62 1HG GLN 62 6.474 -2.447 -15.053 411 HG3 GLN 62 2HG GLN 62 8.115 -2.482 -14.411 412 HE21 GLN 62 1HE2 GLN 62 9.354 -2.750 -16.145 413 HE22 GLN 62 2HE2 GLN 62 9.192 -4.021 -17.304 414 H SER 63 H SER 63 3.685 -3.600 -11.553 415 HA SER 63 HA SER 63 4.591 -5.053 -9.227 416 HB2 SER 63 1HB SER 63 2.795 -3.755 -8.613 417 HB3 SER 63 2HB SER 63 1.996 -3.931 -10.176 418 HG SER 63 HG SER 63 0.938 -5.084 -8.480 419 H GLY 64 H GLY 64 4.603 -7.200 -8.942 420 HA2 GLY 64 1HA GLY 64 2.871 -9.004 -10.282 421 HA3 GLY 64 2HA GLY 64 4.446 -8.989 -11.063 422 H GLU 65 H GLU 65 6.158 -8.736 -8.947 423 HA GLU 65 HA GLU 65 5.815 -11.336 -7.649 424 HB2 GLU 65 1HB GLU 65 8.259 -9.563 -7.812 425 HB3 GLU 65 2HB GLU 65 8.209 -11.191 -7.149 426 HG2 GLU 65 1HG GLU 65 9.129 -11.347 -9.320 427 HG3 GLU 65 2HG GLU 65 7.492 -11.995 -9.405 428 H ASP 66 H ASP 66 4.340 -10.742 -6.030 429 HA ASP 66 HA ASP 66 4.722 -8.581 -4.252 430 HB2 ASP 66 1HB ASP 66 2.929 -9.489 -2.986 431 HB3 ASP 66 2HB ASP 66 2.571 -9.868 -4.669 432 H SER 67 H SER 67 5.380 -12.062 -3.890 433 HA SER 67 HA SER 67 6.361 -12.105 -1.327 434 HB2 SER 67 1HB SER 67 6.058 -14.035 -3.033 435 HB3 SER 67 2HB SER 67 7.722 -13.682 -3.497 436 HG SER 67 HG SER 67 7.059 -15.246 -1.609 437 H LYS 68 H LYS 68 8.417 -11.857 -4.234 438 HA LYS 68 HA LYS 68 10.781 -11.231 -2.886 439 HB2 LYS 68 1HB LYS 68 9.931 -10.468 -5.687 440 HB3 LYS 68 2HB LYS 68 11.577 -10.378 -5.073 441 HG2 LYS 68 1HG LYS 68 11.534 -12.817 -4.694 442 HG3 LYS 68 2HG LYS 68 9.923 -12.871 -5.414 443 HD2 LYS 68 1HD LYS 68 10.948 -11.802 -7.466 444 HD3 LYS 68 2HD LYS 68 12.523 -12.120 -6.735 445 HE2 LYS 68 1HE LYS 68 12.094 -13.932 -8.191 446 HE3 LYS 68 2HE LYS 68 11.813 -14.537 -6.559 447 HZ1 LYS 68 3HZ LYS 68 10.036 -15.299 -7.883 448 HZ2 LYS 68 1HZ LYS 68 9.786 -13.779 -8.583 449 HZ3 LYS 68 2HZ LYS 68 9.403 -14.034 -6.956 450 H MET 69 H MET 69 8.192 -9.163 -4.079 451 HA MET 69 HA MET 69 9.412 -6.678 -3.831 452 HB2 MET 69 1HB MET 69 7.208 -7.034 -4.873 453 HB3 MET 69 2HB MET 69 6.520 -7.377 -3.292 454 HG2 MET 69 1HG MET 69 6.915 -5.134 -2.562 455 HG3 MET 69 2HG MET 69 7.812 -4.766 -4.033 456 HE1 MET 69 3HE MET 69 6.910 -3.059 -5.135 457 HE2 MET 69 1HE MET 69 6.431 -4.102 -6.475 458 HE3 MET 69 2HE MET 69 5.300 -2.907 -5.841 459 H LEU 70 H LEU 70 10.019 -5.445 -2.164 460 HA LEU 70 HA LEU 70 9.431 -6.417 0.541 461 HB2 LEU 70 1HB LEU 70 11.579 -4.602 -0.532 462 HB3 LEU 70 2HB LEU 70 11.311 -4.873 1.188 463 HG LEU 70 HG LEU 70 11.812 -7.208 -0.607 464 HD11 LEU 70 1HD1 LEU 70 13.947 -5.413 0.537 465 HD12 LEU 70 2HD1 LEU 70 13.572 -5.623 -1.174 466 HD13 LEU 70 3HD1 LEU 70 14.215 -6.974 -0.240 467 HD21 LEU 70 3HD2 LEU 70 13.158 -7.508 1.774 468 HD22 LEU 70 1HD2 LEU 70 11.568 -8.168 1.393 469 HD23 LEU 70 2HD2 LEU 70 11.703 -6.628 2.244 470 H VAL 71 H VAL 71 7.966 -5.388 1.715 471 HA VAL 71 HA VAL 71 7.118 -2.704 0.912 472 HB VAL 71 HB VAL 71 5.843 -4.675 2.814 473 HG11 VAL 71 1HG1 VAL 71 5.564 -1.958 2.893 474 HG12 VAL 71 2HG1 VAL 71 4.234 -2.438 1.837 475 HG13 VAL 71 3HG1 VAL 71 4.365 -3.121 3.458 476 HG21 VAL 71 3HG2 VAL 71 4.486 -5.352 1.123 477 HG22 VAL 71 1HG2 VAL 71 4.522 -3.783 0.319 478 HG23 VAL 71 2HG2 VAL 71 5.884 -4.892 0.152 479 H CYS 72 H CYS 72 8.232 -1.116 1.852 480 HA CYS 72 HA CYS 72 9.770 -1.228 4.135 481 HB2 CYS 72 1HB CYS 72 9.493 0.648 2.338 482 HB3 CYS 72 2HB CYS 72 8.291 1.291 3.452 483 H ASP 73 H ASP 73 9.410 -0.086 6.222 484 HA ASP 73 HA ASP 73 6.709 -0.681 7.227 485 HB2 ASP 73 1HB ASP 73 9.431 -0.926 8.401 486 HB3 ASP 73 2HB ASP 73 8.121 -0.481 9.491 487 H THR 74 H THR 74 8.947 1.821 6.634 488 HA THR 74 HA THR 74 7.674 3.659 8.514 489 HB THR 74 HB THR 74 10.039 4.039 6.669 490 HG1 THR 74 HG1 THR 74 9.820 2.934 9.065 491 HG21 THR 74 3HG2 THR 74 8.797 5.928 8.669 492 HG22 THR 74 1HG2 THR 74 8.911 6.158 6.925 493 HG23 THR 74 2HG2 THR 74 10.372 6.165 7.912 494 H CYS 75 H CYS 75 8.612 3.822 5.072 495 HA CYS 75 HA CYS 75 6.533 5.776 4.571 496 HB2 CYS 75 1HB CYS 75 7.487 5.990 2.376 497 HB3 CYS 75 2HB CYS 75 8.810 5.929 3.537 498 H ASP 76 H ASP 76 6.988 2.381 4.274 499 HA ASP 76 HA ASP 76 5.597 0.701 3.621 500 HB2 ASP 76 1HB ASP 76 3.907 2.339 4.758 501 HB3 ASP 76 2HB ASP 76 3.386 2.661 3.106 502 H LYS 77 H LYS 77 7.294 1.666 1.725 503 HA LYS 77 HA LYS 77 5.739 2.004 -0.730 504 HB2 LYS 77 1HB LYS 77 8.578 2.490 0.051 505 HB3 LYS 77 2HB LYS 77 8.226 2.156 -1.639 506 HG2 LYS 77 1HG LYS 77 6.697 4.257 -0.161 507 HG3 LYS 77 2HG LYS 77 8.296 4.601 -0.824 508 HD2 LYS 77 1HD LYS 77 7.581 4.445 -2.991 509 HD3 LYS 77 2HD LYS 77 6.303 3.292 -2.600 510 HE2 LYS 77 1HE LYS 77 5.187 5.248 -1.373 511 HE3 LYS 77 2HE LYS 77 6.317 6.275 -2.253 512 HZ1 LYS 77 3HZ LYS 77 3.904 5.459 -3.165 513 HZ2 LYS 77 1HZ LYS 77 4.958 4.377 -3.927 514 HZ3 LYS 77 2HZ LYS 77 5.165 6.043 -4.131 515 H GLY 78 H GLY 78 7.186 0.878 -2.656 516 HA2 GLY 78 1HA GLY 78 7.500 -1.952 -1.875 517 HA3 GLY 78 2HA GLY 78 6.548 -1.502 -3.282 518 H TYR 79 H TYR 79 9.391 -2.771 -2.454 519 HA TYR 79 HA TYR 79 10.624 -1.957 -4.964 520 HB2 TYR 79 1HB TYR 79 12.243 -1.899 -2.420 521 HB3 TYR 79 2HB TYR 79 12.715 -1.332 -4.017 522 HD1 TYR 79 HD2 TYR 79 11.536 0.705 -4.967 523 HD2 TYR 79 HD1 TYR 79 11.197 -0.455 -0.887 524 HE1 TYR 79 HE2 TYR 79 10.772 2.971 -4.392 525 HE2 TYR 79 HE1 TYR 79 10.431 1.808 -0.301 526 HH TYR 79 HH TYR 79 9.958 4.289 -2.792 527 H HIS 80 H HIS 80 11.114 -3.765 -5.995 528 HA HIS 80 HA HIS 80 11.154 -6.309 -4.770 529 HB2 HIS 80 1HB HIS 80 12.304 -5.558 -7.464 530 HB3 HIS 80 2HB HIS 80 11.800 -7.163 -6.941 531 HD2 HIS 80 HD2 HIS 80 8.813 -6.788 -6.028 532 HE1 HIS 80 HE1 HIS 80 8.214 -4.576 -9.598 533 HE2 HIS 80 HE2 HIS 80 7.102 -5.753 -7.669 534 H THR 81 H THR 81 12.846 -7.711 -4.315 535 HA THR 81 HA THR 81 15.099 -6.727 -3.098 536 HB THR 81 HB THR 81 16.104 -9.030 -3.474 537 HG1 THR 81 HG1 THR 81 14.190 -10.462 -4.235 538 HG21 THR 81 3HG2 THR 81 14.338 -10.169 -2.099 539 HG22 THR 81 1HG2 THR 81 13.334 -8.736 -2.316 540 HG23 THR 81 2HG2 THR 81 14.875 -8.613 -1.466 541 H PHE 82 H PHE 82 14.903 -8.055 -6.399 542 HA PHE 82 HA PHE 82 17.598 -7.491 -7.054 543 HB2 PHE 82 1HB PHE 82 16.737 -7.768 -9.448 544 HB3 PHE 82 2HB PHE 82 16.536 -9.142 -8.366 545 HD1 PHE 82 HD2 PHE 82 14.793 -6.338 -10.001 546 HD2 PHE 82 HD1 PHE 82 14.389 -9.955 -7.795 547 HE1 PHE 82 HE2 PHE 82 12.382 -6.362 -10.489 548 HE2 PHE 82 HE1 PHE 82 11.977 -9.986 -8.281 549 HZ PHE 82 HZ PHE 82 10.970 -8.187 -9.628 550 H CYS 83 H CYS 83 14.790 -5.541 -6.885 551 HA CYS 83 HA CYS 83 15.856 -3.487 -8.652 552 HB2 CYS 83 1HB CYS 83 13.273 -3.834 -7.153 553 HB3 CYS 83 2HB CYS 83 13.716 -2.273 -7.835 554 H LEU 84 H LEU 84 17.104 -4.288 -6.028 555 HA LEU 84 HA LEU 84 16.995 -1.670 -4.685 556 HB2 LEU 84 1HB LEU 84 17.721 -4.398 -3.642 557 HB3 LEU 84 2HB LEU 84 18.007 -2.910 -2.742 558 HG LEU 84 HG LEU 84 15.312 -3.975 -3.585 559 HD11 LEU 84 1HD1 LEU 84 16.930 -4.195 -1.107 560 HD12 LEU 84 2HD1 LEU 84 15.812 -5.346 -1.839 561 HD13 LEU 84 3HD1 LEU 84 15.189 -3.961 -0.942 562 HD21 LEU 84 3HD2 LEU 84 14.496 -1.954 -3.177 563 HD22 LEU 84 1HD2 LEU 84 16.132 -1.350 -2.914 564 HD23 LEU 84 2HD2 LEU 84 15.197 -1.981 -1.558 565 H GLN 85 H GLN 85 18.904 -0.613 -4.150 566 HA GLN 85 HA GLN 85 21.358 -1.717 -5.345 567 HB2 GLN 85 1HB GLN 85 20.519 0.058 -6.778 568 HB3 GLN 85 2HB GLN 85 20.404 1.150 -5.404 569 HG2 GLN 85 1HG GLN 85 22.360 1.840 -6.369 570 HG3 GLN 85 2HG GLN 85 22.953 0.688 -5.174 571 HE21 GLN 85 1HE2 GLN 85 21.750 0.677 -8.516 572 HE22 GLN 85 2HE2 GLN 85 22.966 -0.386 -9.129 573 HA PRO 86 HA PRO 86 22.887 -2.657 -4.789 574 HB2 PRO 86 1HB PRO 86 23.582 -4.503 -2.924 575 HB3 PRO 86 2HB PRO 86 24.671 -3.214 -3.453 576 HG2 PRO 86 1HG PRO 86 22.957 -3.361 -1.002 577 HG3 PRO 86 2HG PRO 86 24.631 -2.799 -1.165 578 HD2 PRO 86 1HD PRO 86 22.531 -1.097 -1.016 579 HD3 PRO 86 2HD PRO 86 23.993 -0.730 -1.955 580 H VAL 87 H VAL 87 22.266 -5.090 -4.778 581 HA VAL 87 HA VAL 87 19.398 -5.213 -4.412 582 HB VAL 87 HB VAL 87 21.413 -7.013 -5.717 583 HG11 VAL 87 1HG1 VAL 87 18.519 -7.691 -5.204 584 HG12 VAL 87 2HG1 VAL 87 19.637 -8.618 -6.206 585 HG13 VAL 87 3HG1 VAL 87 19.912 -8.482 -4.469 586 HG21 VAL 87 3HG2 VAL 87 20.315 -4.975 -6.819 587 HG22 VAL 87 1HG2 VAL 87 20.290 -6.501 -7.703 588 HG23 VAL 87 2HG2 VAL 87 18.846 -5.950 -6.852 589 H MET 88 H MET 88 18.293 -6.808 -3.215 590 HA MET 88 HA MET 88 19.766 -7.700 -0.854 591 HB2 MET 88 1HB MET 88 16.860 -7.290 -1.476 592 HB3 MET 88 2HB MET 88 17.340 -8.295 -0.114 593 HG2 MET 88 1HG MET 88 18.338 -5.488 -0.457 594 HG3 MET 88 2HG MET 88 16.819 -5.857 0.356 595 HE1 MET 88 3HE MET 88 17.125 -5.770 3.237 596 HE2 MET 88 1HE MET 88 16.472 -7.098 2.278 597 HE3 MET 88 2HE MET 88 17.622 -7.430 3.572 598 H LYS 89 H LYS 89 19.829 -9.829 -0.169 599 HA LYS 89 HA LYS 89 19.440 -11.801 -2.277 600 HB2 LYS 89 1HB LYS 89 20.994 -11.676 0.261 601 HB3 LYS 89 2HB LYS 89 20.500 -13.262 -0.316 602 HG2 LYS 89 1HG LYS 89 22.563 -13.056 -1.284 603 HG3 LYS 89 2HG LYS 89 21.523 -12.444 -2.573 604 HD2 LYS 89 1HD LYS 89 22.553 -10.501 -0.573 605 HD3 LYS 89 2HD LYS 89 23.686 -11.133 -1.770 606 HE2 LYS 89 1HE LYS 89 21.719 -10.534 -3.426 607 HE3 LYS 89 2HE LYS 89 21.284 -9.414 -2.137 608 HZ1 LYS 89 3HZ LYS 89 23.106 -8.147 -2.495 609 HZ2 LYS 89 1HZ LYS 89 22.967 -8.779 -4.059 610 HZ3 LYS 89 2HZ LYS 89 24.077 -9.448 -2.972 611 H SER 90 H SER 90 18.374 -11.166 1.038 612 HA SER 90 HA SER 90 16.082 -12.935 0.561 613 HB2 SER 90 1HB SER 90 16.273 -13.761 2.915 614 HB3 SER 90 2HB SER 90 17.610 -14.267 1.882 615 HG SER 90 HG SER 90 17.969 -13.243 4.123 616 H VAL 91 H VAL 91 14.521 -12.654 2.579 617 HA VAL 91 HA VAL 91 14.120 -9.756 2.852 618 HB VAL 91 HB VAL 91 12.126 -11.990 3.255 619 HG11 VAL 91 1HG1 VAL 91 10.933 -10.449 4.329 620 HG12 VAL 91 2HG1 VAL 91 12.092 -9.181 3.926 621 HG13 VAL 91 3HG1 VAL 91 10.800 -9.587 2.796 622 HG21 VAL 91 3HG2 VAL 91 11.142 -10.868 1.138 623 HG22 VAL 91 1HG2 VAL 91 12.777 -10.246 0.912 624 HG23 VAL 91 2HG2 VAL 91 12.495 -11.986 0.964 625 HA PRO 92 HA PRO 92 15.370 -10.358 7.109 626 HB2 PRO 92 1HB PRO 92 15.247 -7.729 7.775 627 HB3 PRO 92 2HB PRO 92 16.596 -8.430 6.874 628 HG2 PRO 92 1HG PRO 92 14.234 -6.896 5.859 629 HG3 PRO 92 2HG PRO 92 15.939 -6.764 5.390 630 HD2 PRO 92 1HD PRO 92 14.122 -8.121 3.910 631 HD3 PRO 92 2HD PRO 92 15.829 -8.599 4.000 632 H THR 93 H THR 93 14.224 -10.658 8.942 633 HA THR 93 HA THR 93 11.402 -9.854 8.910 634 HB THR 93 HB THR 93 11.142 -11.536 10.750 635 HG1 THR 93 HG1 THR 93 13.812 -12.235 10.031 636 HG21 THR 93 3HG2 THR 93 10.917 -11.960 8.194 637 HG22 THR 93 1HG2 THR 93 10.947 -13.336 9.296 638 HG23 THR 93 2HG2 THR 93 12.398 -12.896 8.395 639 H ASN 94 H ASN 94 13.840 -8.225 9.743 640 HA ASN 94 HA ASN 94 12.913 -7.554 12.459 641 HB2 ASN 94 1HB ASN 94 15.651 -7.580 11.243 642 HB3 ASN 94 2HB ASN 94 15.297 -6.450 12.547 643 HD21 ASN 94 1HD2 ASN 94 17.185 -8.092 13.161 644 HD22 ASN 94 2HD2 ASN 94 16.658 -9.382 14.183 645 H GLY 95 H GLY 95 11.472 -6.492 10.446 646 HA2 GLY 95 1HA GLY 95 10.692 -4.500 9.617 647 HA3 GLY 95 2HA GLY 95 11.606 -3.737 10.910 648 H TRP 96 H TRP 96 11.456 -4.433 7.551 649 HA TRP 96 HA TRP 96 14.172 -3.742 6.947 650 HB2 TRP 96 1HB TRP 96 12.783 -5.223 5.504 651 HB3 TRP 96 2HB TRP 96 11.783 -3.832 5.093 652 HD1 TRP 96 HD1 TRP 96 15.547 -4.787 4.866 653 HE1 TRP 96 HE1 TRP 96 16.473 -3.811 2.671 654 HE3 TRP 96 HE3 TRP 96 11.346 -2.393 3.206 655 HZ2 TRP 96 HZ2 TRP 96 15.545 -2.235 0.521 656 HZ3 TRP 96 HZ3 TRP 96 11.449 -1.173 1.072 657 HH2 TRP 96 HH2 TRP 96 13.506 -1.097 -0.241 658 H LYS 97 H LYS 97 14.804 -1.886 5.649 659 HA LYS 97 HA LYS 97 13.043 0.442 5.855 660 HB2 LYS 97 1HB LYS 97 14.802 0.171 7.798 661 HB3 LYS 97 2HB LYS 97 15.922 0.784 6.589 662 HG2 LYS 97 1HG LYS 97 14.989 2.862 6.572 663 HG3 LYS 97 2HG LYS 97 13.388 2.268 7.017 664 HD2 LYS 97 1HD LYS 97 14.473 3.580 8.815 665 HD3 LYS 97 2HD LYS 97 14.101 1.922 9.296 666 HE2 LYS 97 1HE LYS 97 16.238 2.036 10.064 667 HE3 LYS 97 2HE LYS 97 16.574 1.525 8.411 668 HZ1 LYS 97 3HZ LYS 97 17.599 3.724 9.638 669 HZ2 LYS 97 1HZ LYS 97 16.372 4.370 8.668 670 HZ3 LYS 97 2HZ LYS 97 17.598 3.435 7.972 671 H CYS 98 H CYS 98 12.956 1.459 3.970 672 HA CYS 98 HA CYS 98 14.834 0.808 1.876 673 HB2 CYS 98 1HB CYS 98 13.327 1.791 0.397 674 HB3 CYS 98 2HB CYS 98 12.269 1.185 1.668 675 H LYS 99 H LYS 99 16.249 2.201 0.853 676 HA LYS 99 HA LYS 99 17.796 3.910 2.236 677 HB2 LYS 99 1HB LYS 99 18.301 3.220 -0.053 678 HB3 LYS 99 2HB LYS 99 17.001 4.235 -0.663 679 HG2 LYS 99 1HG LYS 99 19.163 5.492 0.949 680 HG3 LYS 99 2HG LYS 99 19.490 5.042 -0.726 681 HD2 LYS 99 1HD LYS 99 17.293 6.297 -1.249 682 HD3 LYS 99 2HD LYS 99 17.506 7.017 0.349 683 HE2 LYS 99 1HE LYS 99 18.501 8.514 -1.186 684 HE3 LYS 99 2HE LYS 99 19.830 7.669 -0.394 685 HZ1 LYS 99 3HZ LYS 99 20.308 7.727 -2.694 686 HZ2 LYS 99 1HZ LYS 99 18.758 7.198 -3.117 687 HZ3 LYS 99 2HZ LYS 99 19.833 6.139 -2.354 688 H ASN 100 H ASN 100 15.231 5.144 0.080 689 HA ASN 100 HA ASN 100 15.208 7.762 0.620 690 HB2 ASN 100 1HB ASN 100 13.533 6.994 -0.840 691 HB3 ASN 100 2HB ASN 100 12.882 5.873 0.352 692 HD21 ASN 100 1HD2 ASN 100 13.312 9.308 -0.332 693 HD22 ASN 100 2HD2 ASN 100 11.878 9.831 0.478 694 H CYS 101 H CYS 101 14.075 5.259 2.817 695 HA CYS 101 HA CYS 101 13.197 7.190 4.791 696 HB2 CYS 101 1HB CYS 101 13.242 4.187 4.653 697 HB3 CYS 101 2HB CYS 101 12.924 5.013 6.175 698 H ARG 102 H ARG 102 15.731 4.704 4.542 699 HA ARG 102 HA ARG 102 16.978 4.904 6.939 700 HB2 ARG 102 1HB ARG 102 18.506 4.883 4.335 701 HB3 ARG 102 2HB ARG 102 19.013 4.211 5.879 702 HG2 ARG 102 1HG ARG 102 16.992 2.666 5.673 703 HG3 ARG 102 2HG ARG 102 16.930 3.183 3.987 704 HD2 ARG 102 1HD ARG 102 19.496 2.564 4.072 705 HD3 ARG 102 2HD ARG 102 18.965 1.538 5.404 706 HE ARG 102 HE ARG 102 17.336 1.210 3.087 707 HH11 ARG 102 2HH1 ARG 102 20.375 0.310 4.526 708 HH12 ARG 102 1HH1 ARG 102 20.500 -1.177 3.648 709 HH21 ARG 102 2HH2 ARG 102 17.489 -0.747 1.924 710 HH22 ARG 102 1HH2 ARG 102 18.858 -1.777 2.167 711 H ILE 103 H ILE 103 17.086 7.245 4.328 712 HA ILE 103 HA ILE 103 19.142 8.870 4.775 713 HB ILE 103 HB ILE 103 16.287 9.831 4.558 714 HG12 ILE 103 1HG1 ILE 103 16.808 8.442 2.684 715 HG13 ILE 103 2HG1 ILE 103 16.939 10.109 2.134 716 HG21 ILE 103 1HG2 ILE 103 18.470 11.350 5.204 717 HG22 ILE 103 2HG2 ILE 103 18.402 11.510 3.450 718 HG23 ILE 103 3HG2 ILE 103 17.003 11.947 4.429 719 HD11 ILE 103 3HD1 ILE 103 18.749 8.804 1.243 720 HD12 ILE 103 1HD1 ILE 103 19.381 9.971 2.405 721 HD13 ILE 103 2HD1 ILE 103 19.209 8.276 2.861 722 H CYS 104 H CYS 104 19.964 10.200 6.297 723 HA CYS 104 HA CYS 104 19.582 9.902 8.950 724 HB2 CYS 104 1HB CYS 104 21.306 11.353 7.699 725 HB3 CYS 104 2HB CYS 104 20.123 12.648 7.841 726 HG CYS 104 HG CYS 104 20.360 13.090 10.433 727 H ILE 105 H ILE 105 17.894 10.105 10.248 728 HA ILE 105 HA ILE 105 15.423 11.113 9.610 729 HB ILE 105 HB ILE 105 15.866 9.722 11.595 730 HG12 ILE 105 1HG1 ILE 105 14.455 11.254 13.217 731 HG13 ILE 105 2HG1 ILE 105 14.340 12.287 11.797 732 HG21 ILE 105 1HG2 ILE 105 17.904 10.839 12.353 733 HG22 ILE 105 2HG2 ILE 105 16.961 12.259 12.801 734 HG23 ILE 105 3HG2 ILE 105 16.711 10.732 13.647 735 HD11 ILE 105 3HD1 ILE 105 12.520 11.062 11.367 736 HD12 ILE 105 1HD1 ILE 105 13.680 9.894 10.734 737 HD13 ILE 105 2HD1 ILE 105 13.057 9.718 12.375 738 H SER 106 H SER 106 14.391 13.051 9.723 739 HA SER 106 HA SER 106 14.114 15.309 9.733 740 HB2 SER 106 1HB SER 106 16.031 14.927 12.017 741 HB3 SER 106 2HB SER 106 15.540 16.547 11.524 742 HG SER 106 HG SER 106 14.140 15.802 13.112 743 H GLY 107 H GLY 107 15.747 14.345 7.736 744 HA2 GLY 107 1HA GLY 107 18.153 15.964 7.622 745 HA3 GLY 107 2HA GLY 107 17.591 14.840 6.395 746 HA PRO 108 HA PRO 108 16.441 19.445 5.560 747 HB2 PRO 108 1HB PRO 108 18.652 20.319 4.249 748 HB3 PRO 108 2HB PRO 108 18.435 20.500 5.994 749 HG2 PRO 108 1HG PRO 108 20.002 18.445 4.484 750 HG3 PRO 108 2HG PRO 108 20.444 19.331 5.955 751 HD2 PRO 108 1HD PRO 108 19.526 16.784 6.009 752 HD3 PRO 108 2HD PRO 108 19.204 17.943 7.315 753 H SER 109 H SER 109 15.002 18.401 4.123 754 HA SER 109 HA SER 109 15.949 17.328 1.624 755 HB2 SER 109 1HB SER 109 13.201 17.813 2.770 756 HB3 SER 109 2HB SER 109 13.440 17.232 1.123 757 HG SER 109 HG SER 109 14.397 15.975 3.483 758 H SER 110 H SER 110 16.233 18.384 -0.228 759 HA SER 110 HA SER 110 15.474 21.208 -0.346 760 HB2 SER 110 1HB SER 110 17.019 21.263 -2.324 761 HB3 SER 110 2HB SER 110 17.802 20.789 -0.817 762 HG SER 110 HG SER 110 17.141 19.222 -3.053 763 H GLY 111 H GLY 111 15.487 18.390 -2.542 764 HA2 GLY 111 1HA GLY 111 13.383 19.651 -4.132 765 HA3 GLY 111 2HA GLY 111 14.296 18.214 -4.570 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -32.638 -3.936 3.234 2 HA2 GLY 1 1HA GLY 1 -32.225 -6.740 2.877 3 HA3 GLY 1 2HA GLY 1 -33.668 -6.192 2.037 4 H SER 2 H SER 2 -33.136 -3.928 0.877 5 HA SER 2 HA SER 2 -30.748 -4.461 -0.763 6 HB2 SER 2 1HB SER 2 -33.205 -4.509 -1.730 7 HB3 SER 2 2HB SER 2 -33.000 -2.758 -1.755 8 HG SER 2 HG SER 2 -30.941 -3.283 -2.895 9 H SER 3 H SER 3 -29.142 -3.079 -0.477 10 HA SER 3 HA SER 3 -29.678 -0.460 0.695 11 HB2 SER 3 1HB SER 3 -27.276 -2.214 0.446 12 HB3 SER 3 2HB SER 3 -27.022 -0.474 0.587 13 HG SER 3 HG SER 3 -27.290 -1.998 2.568 14 H GLY 4 H GLY 4 -28.059 1.303 -0.155 15 HA2 GLY 4 1HA GLY 4 -27.533 1.207 -2.989 16 HA3 GLY 4 2HA GLY 4 -28.882 2.248 -2.563 17 H SER 5 H SER 5 -26.690 3.298 -3.819 18 HA SER 5 HA SER 5 -24.979 4.813 -3.657 19 HB2 SER 5 1HB SER 5 -26.921 6.213 -3.147 20 HB3 SER 5 2HB SER 5 -26.792 5.796 -1.439 21 HG SER 5 HG SER 5 -25.433 7.661 -2.870 22 H SER 6 H SER 6 -24.278 2.473 -2.382 23 HA SER 6 HA SER 6 -23.507 2.515 0.246 24 HB2 SER 6 1HB SER 6 -21.956 0.808 -0.269 25 HB3 SER 6 2HB SER 6 -23.213 0.651 -1.496 26 HG SER 6 HG SER 6 -20.624 1.750 -1.751 27 H GLY 7 H GLY 7 -21.801 3.296 1.432 28 HA2 GLY 7 1HA GLY 7 -20.399 5.564 0.244 29 HA3 GLY 7 2HA GLY 7 -20.492 5.180 1.956 30 H ALA 8 H ALA 8 -18.265 5.426 2.243 31 HA ALA 8 HA ALA 8 -16.547 3.505 0.834 32 HB1 ALA 8 3HB ALA 8 -15.867 5.991 2.394 33 HB2 ALA 8 1HB ALA 8 -14.672 4.880 1.724 34 HB3 ALA 8 2HB ALA 8 -15.760 5.759 0.650 35 H ASN 9 H ASN 9 -16.958 1.636 1.996 36 HA ASN 9 HA ASN 9 -16.385 1.701 4.876 37 HB2 ASN 9 1HB ASN 9 -17.383 -0.661 4.777 38 HB3 ASN 9 2HB ASN 9 -18.487 0.689 4.533 39 HD21 ASN 9 1HD2 ASN 9 -19.988 -0.270 3.289 40 HD22 ASN 9 2HD2 ASN 9 -19.680 -0.940 1.727 41 H CYS 10 H CYS 10 -15.101 -0.040 5.790 42 HA CYS 10 HA CYS 10 -12.630 -0.360 4.536 43 HB2 CYS 10 1HB CYS 10 -13.047 -0.574 6.986 44 HB3 CYS 10 2HB CYS 10 -13.805 -2.134 6.685 45 H ALA 11 H ALA 11 -11.972 -1.634 2.944 46 HA ALA 11 HA ALA 11 -13.716 -3.583 1.784 47 HB1 ALA 11 3HB ALA 11 -12.516 -2.805 0.062 48 HB2 ALA 11 1HB ALA 11 -11.177 -2.307 1.096 49 HB3 ALA 11 2HB ALA 11 -11.305 -3.984 0.566 50 H VAL 12 H VAL 12 -12.071 -3.793 4.528 51 HA VAL 12 HA VAL 12 -11.281 -6.602 4.107 52 HB VAL 12 HB VAL 12 -10.268 -4.692 6.217 53 HG11 VAL 12 1HG1 VAL 12 -10.435 -7.212 6.722 54 HG12 VAL 12 2HG1 VAL 12 -9.108 -7.378 5.570 55 HG13 VAL 12 3HG1 VAL 12 -8.901 -6.395 7.021 56 HG21 VAL 12 3HG2 VAL 12 -9.557 -4.411 3.736 57 HG22 VAL 12 1HG2 VAL 12 -8.320 -4.422 4.994 58 HG23 VAL 12 2HG2 VAL 12 -8.605 -5.868 4.025 59 H CYS 13 H CYS 13 -12.922 -4.338 6.254 60 HA CYS 13 HA CYS 13 -14.234 -6.635 7.552 61 HB2 CYS 13 1HB CYS 13 -14.233 -5.518 9.642 62 HB3 CYS 13 2HB CYS 13 -12.602 -5.331 9.007 63 H ASP 14 H ASP 14 -14.557 -3.673 5.881 64 HA ASP 14 HA ASP 14 -16.352 -2.505 5.114 65 HB2 ASP 14 1HB ASP 14 -17.036 -4.980 4.634 66 HB3 ASP 14 2HB ASP 14 -18.179 -4.732 5.951 67 H SER 15 H SER 15 -15.610 -1.617 7.477 68 HA SER 15 HA SER 15 -18.145 -1.149 8.897 69 HB2 SER 15 1HB SER 15 -15.421 -1.573 10.147 70 HB3 SER 15 2HB SER 15 -16.854 -1.041 11.025 71 HG SER 15 HG SER 15 -17.177 -3.107 11.257 72 HA PRO 16 HA PRO 16 -17.066 3.053 7.916 73 HB2 PRO 16 1HB PRO 16 -19.187 4.193 9.169 74 HB3 PRO 16 2HB PRO 16 -19.317 3.389 7.601 75 HG2 PRO 16 1HG PRO 16 -19.987 2.345 10.325 76 HG3 PRO 16 2HG PRO 16 -20.891 2.177 8.809 77 HD2 PRO 16 1HD PRO 16 -19.327 0.201 9.800 78 HD3 PRO 16 2HD PRO 16 -19.556 0.454 8.058 79 H GLY 17 H GLY 17 -17.125 1.560 10.962 80 HA2 GLY 17 1HA GLY 17 -17.001 3.314 12.947 81 HA3 GLY 17 2HA GLY 17 -15.750 2.092 12.775 82 H ASP 18 H ASP 18 -13.756 2.657 11.828 83 HA ASP 18 HA ASP 18 -13.052 5.435 12.241 84 HB2 ASP 18 1HB ASP 18 -11.115 3.407 11.198 85 HB3 ASP 18 2HB ASP 18 -10.845 4.738 12.320 86 H LEU 19 H LEU 19 -13.477 6.822 10.651 87 HA LEU 19 HA LEU 19 -13.257 5.955 7.869 88 HB2 LEU 19 1HB LEU 19 -14.549 8.257 9.261 89 HB3 LEU 19 2HB LEU 19 -14.151 8.392 7.550 90 HG LEU 19 HG LEU 19 -15.961 6.305 8.766 91 HD11 LEU 19 1HD1 LEU 19 -17.775 7.548 8.135 92 HD12 LEU 19 2HD1 LEU 19 -16.882 8.429 6.896 93 HD13 LEU 19 3HD1 LEU 19 -16.657 8.832 8.598 94 HD21 LEU 19 3HD2 LEU 19 -14.620 6.483 6.226 95 HD22 LEU 19 1HD2 LEU 19 -16.369 6.534 6.011 96 HD23 LEU 19 2HD2 LEU 19 -15.627 5.188 6.875 97 H LEU 20 H LEU 20 -12.019 8.467 10.046 98 HA LEU 20 HA LEU 20 -10.238 9.549 8.074 99 HB2 LEU 20 1HB LEU 20 -10.690 9.995 10.995 100 HB3 LEU 20 2HB LEU 20 -9.259 10.660 10.211 101 HG LEU 20 HG LEU 20 -11.204 12.235 10.470 102 HD11 LEU 20 1HD1 LEU 20 -9.840 11.627 7.892 103 HD12 LEU 20 2HD1 LEU 20 -9.652 13.010 8.969 104 HD13 LEU 20 3HD1 LEU 20 -11.078 12.883 7.939 105 HD21 LEU 20 3HD2 LEU 20 -12.431 10.828 8.133 106 HD22 LEU 20 1HD2 LEU 20 -13.151 11.995 9.242 107 HD23 LEU 20 2HD2 LEU 20 -12.838 10.345 9.780 108 H ASP 21 H ASP 21 -9.883 7.484 10.934 109 HA ASP 21 HA ASP 21 -7.155 7.232 11.070 110 HB2 ASP 21 1HB ASP 21 -8.921 6.173 12.575 111 HB3 ASP 21 2HB ASP 21 -9.009 4.874 11.388 112 H GLN 22 H GLN 22 -9.377 5.540 8.903 113 HA GLN 22 HA GLN 22 -7.364 3.891 7.731 114 HB2 GLN 22 1HB GLN 22 -9.120 3.454 5.994 115 HB3 GLN 22 2HB GLN 22 -9.626 3.123 7.645 116 HG2 GLN 22 1HG GLN 22 -10.831 5.226 7.723 117 HG3 GLN 22 2HG GLN 22 -10.284 5.617 6.093 118 HE21 GLN 22 1HE2 GLN 22 -12.586 5.821 5.670 119 HE22 GLN 22 2HE2 GLN 22 -13.497 4.406 5.281 120 H PHE 23 H PHE 23 -6.748 3.978 5.439 121 HA PHE 23 HA PHE 23 -6.149 6.735 4.667 122 HB2 PHE 23 1HB PHE 23 -5.018 4.136 3.608 123 HB3 PHE 23 2HB PHE 23 -4.460 5.752 3.185 124 HD1 PHE 23 HD2 PHE 23 -5.027 3.636 6.204 125 HD2 PHE 23 HD1 PHE 23 -2.631 6.587 4.289 126 HE1 PHE 23 HE2 PHE 23 -3.455 3.582 8.096 127 HE2 PHE 23 HE1 PHE 23 -1.054 6.536 6.177 128 HZ PHE 23 HZ PHE 23 -1.466 5.034 8.084 129 H PHE 24 H PHE 24 -5.981 7.011 2.173 130 HA PHE 24 HA PHE 24 -8.265 5.730 0.847 131 HB2 PHE 24 1HB PHE 24 -9.296 7.733 1.403 132 HB3 PHE 24 2HB PHE 24 -7.802 8.655 1.277 133 HD1 PHE 24 HD1 PHE 24 -10.415 6.942 -0.700 134 HD2 PHE 24 HD2 PHE 24 -7.220 9.754 -0.711 135 HE1 PHE 24 HE1 PHE 24 -11.050 7.649 -2.970 136 HE2 PHE 24 HE2 PHE 24 -7.851 10.467 -2.980 137 HZ PHE 24 HZ PHE 24 -9.768 9.415 -4.112 138 H CYS 25 H CYS 25 -7.457 4.711 -0.857 139 HA CYS 25 HA CYS 25 -4.960 5.232 -2.024 140 HB2 CYS 25 1HB CYS 25 -6.240 3.075 -2.162 141 HB3 CYS 25 2HB CYS 25 -7.298 3.841 -3.343 142 H THR 26 H THR 26 -4.444 6.039 -4.125 143 HA THR 26 HA THR 26 -6.221 8.227 -4.943 144 HB THR 26 HB THR 26 -4.239 9.152 -6.109 145 HG1 THR 26 HG1 THR 26 -2.875 7.522 -6.522 146 HG21 THR 26 3HG2 THR 26 -2.956 8.910 -3.571 147 HG22 THR 26 1HG2 THR 26 -4.699 8.998 -3.318 148 HG23 THR 26 2HG2 THR 26 -3.872 10.270 -4.218 149 H THR 27 H THR 27 -4.907 5.222 -5.985 150 HA THR 27 HA THR 27 -5.345 5.684 -8.799 151 HB THR 27 HB THR 27 -4.768 3.096 -7.343 152 HG1 THR 27 HG1 THR 27 -2.860 4.008 -7.179 153 HG21 THR 27 3HG2 THR 27 -5.763 3.325 -9.849 154 HG22 THR 27 1HG2 THR 27 -4.683 2.030 -9.335 155 HG23 THR 27 2HG2 THR 27 -4.035 3.437 -10.178 156 H CYS 28 H CYS 28 -6.694 3.269 -6.540 157 HA CYS 28 HA CYS 28 -9.034 2.978 -8.231 158 HB2 CYS 28 1HB CYS 28 -9.641 1.144 -6.768 159 HB3 CYS 28 2HB CYS 28 -7.941 1.000 -7.202 160 H GLY 29 H GLY 29 -8.253 4.097 -4.960 161 HA2 GLY 29 1HA GLY 29 -9.359 5.907 -3.906 162 HA3 GLY 29 2HA GLY 29 -10.730 5.659 -4.977 163 H GLN 30 H GLN 30 -9.097 3.172 -3.085 164 HA GLN 30 HA GLN 30 -11.646 2.600 -1.768 165 HB2 GLN 30 1HB GLN 30 -9.138 1.005 -2.214 166 HB3 GLN 30 2HB GLN 30 -10.335 0.502 -1.028 167 HG2 GLN 30 1HG GLN 30 -10.861 0.928 -3.961 168 HG3 GLN 30 2HG GLN 30 -10.609 -0.632 -3.180 169 HE21 GLN 30 1HE2 GLN 30 -12.074 -0.701 -1.045 170 HE22 GLN 30 2HE2 GLN 30 -13.744 -0.395 -1.365 171 H HIS 31 H HIS 31 -11.267 1.597 0.539 172 HA HIS 31 HA HIS 31 -9.386 3.291 2.035 173 HB2 HIS 31 1HB HIS 31 -12.162 2.710 3.049 174 HB3 HIS 31 2HB HIS 31 -11.015 3.914 3.629 175 HD1 HIS 31 HD1 HIS 31 -12.145 6.082 3.197 176 HD2 HIS 31 HD2 HIS 31 -12.383 3.522 -0.066 177 HE1 HIS 31 HE1 HIS 31 -13.215 7.429 1.363 178 HE2 HIS 31 HE2 HIS 31 -13.426 5.833 -0.575 179 H TYR 32 H TYR 32 -8.732 2.453 4.081 180 HA TYR 32 HA TYR 32 -9.537 -0.203 4.861 181 HB2 TYR 32 1HB TYR 32 -6.705 0.276 3.911 182 HB3 TYR 32 2HB TYR 32 -7.297 -1.198 4.669 183 HD1 TYR 32 HD2 TYR 32 -7.680 0.958 1.672 184 HD2 TYR 32 HD1 TYR 32 -8.320 -2.884 3.386 185 HE1 TYR 32 HE2 TYR 32 -8.313 0.084 -0.538 186 HE2 TYR 32 HE1 TYR 32 -8.954 -3.769 1.180 187 HH TYR 32 HH TYR 32 -8.330 -2.192 -1.680 188 H HIS 33 H HIS 33 -9.093 -0.632 6.982 189 HA HIS 33 HA HIS 33 -8.305 1.591 8.614 190 HB2 HIS 33 1HB HIS 33 -9.052 -1.260 9.279 191 HB3 HIS 33 2HB HIS 33 -8.657 -0.052 10.498 192 HD2 HIS 33 HD2 HIS 33 -10.447 2.433 9.336 193 HE1 HIS 33 HE1 HIS 33 -13.672 -0.308 9.622 194 HE2 HIS 33 HE2 HIS 33 -13.013 2.106 9.334 195 H GLY 34 H GLY 34 -6.506 1.777 9.946 196 HA2 GLY 34 1HA GLY 34 -4.082 0.751 8.936 197 HA3 GLY 34 2HA GLY 34 -4.277 1.598 10.464 198 H MET 35 H MET 35 -6.346 -0.594 11.130 199 HA MET 35 HA MET 35 -4.372 -2.416 12.278 200 HB2 MET 35 1HB MET 35 -6.079 -1.340 13.740 201 HB3 MET 35 2HB MET 35 -7.331 -2.202 12.857 202 HG2 MET 35 1HG MET 35 -5.102 -3.723 14.124 203 HG3 MET 35 2HG MET 35 -6.437 -3.131 15.111 204 HE1 MET 35 3HE MET 35 -5.096 -5.843 14.318 205 HE2 MET 35 1HE MET 35 -6.381 -7.039 14.137 206 HE3 MET 35 2HE MET 35 -5.572 -6.392 12.710 207 H CYS 36 H CYS 36 -7.371 -2.500 10.382 208 HA CYS 36 HA CYS 36 -7.615 -5.249 10.077 209 HB2 CYS 36 1HB CYS 36 -8.433 -2.917 8.372 210 HB3 CYS 36 2HB CYS 36 -8.698 -4.564 7.809 211 H LEU 37 H LEU 37 -5.510 -2.982 8.451 212 HA LEU 37 HA LEU 37 -4.527 -5.108 6.684 213 HB2 LEU 37 1HB LEU 37 -4.493 -2.138 6.598 214 HB3 LEU 37 2HB LEU 37 -3.173 -3.004 5.816 215 HG LEU 37 HG LEU 37 -6.095 -3.396 5.175 216 HD11 LEU 37 1HD1 LEU 37 -4.953 -1.123 4.636 217 HD12 LEU 37 2HD1 LEU 37 -5.895 -1.947 3.394 218 HD13 LEU 37 3HD1 LEU 37 -4.134 -2.043 3.374 219 HD21 LEU 37 3HD2 LEU 37 -5.034 -5.357 4.541 220 HD22 LEU 37 1HD2 LEU 37 -3.539 -4.529 4.107 221 HD23 LEU 37 2HD2 LEU 37 -4.959 -4.385 3.070 222 H ASP 38 H ASP 38 -3.869 -3.811 9.646 223 HA ASP 38 HA ASP 38 -2.116 -4.008 11.084 224 HB2 ASP 38 1HB ASP 38 -0.631 -5.595 9.001 225 HB3 ASP 38 2HB ASP 38 -0.529 -5.719 10.756 226 H ILE 39 H ILE 39 -2.272 -1.767 9.363 227 HA ILE 39 HA ILE 39 0.524 -1.203 8.681 228 HB ILE 39 HB ILE 39 -1.900 0.483 8.059 229 HG12 ILE 39 1HG1 ILE 39 -0.467 -1.523 6.303 230 HG13 ILE 39 2HG1 ILE 39 -2.072 -1.733 6.995 231 HG21 ILE 39 1HG2 ILE 39 0.831 1.047 7.935 232 HG22 ILE 39 2HG2 ILE 39 0.342 0.732 6.271 233 HG23 ILE 39 3HG2 ILE 39 -0.485 1.972 7.213 234 HD11 ILE 39 3HD1 ILE 39 -2.366 -1.095 4.744 235 HD12 ILE 39 1HD1 ILE 39 -2.767 0.316 5.722 236 HD13 ILE 39 2HD1 ILE 39 -1.212 0.230 4.894 237 H ALA 40 H ALA 40 1.714 0.297 9.727 238 HA ALA 40 HA ALA 40 0.651 1.352 12.211 239 HB1 ALA 40 3HB ALA 40 3.142 0.446 11.418 240 HB2 ALA 40 1HB ALA 40 3.347 2.193 11.556 241 HB3 ALA 40 2HB ALA 40 2.756 1.262 12.933 242 H VAL 41 H VAL 41 -0.602 3.110 11.956 243 HA VAL 41 HA VAL 41 -0.566 4.996 9.960 244 HB VAL 41 HB VAL 41 -1.236 5.492 12.865 245 HG11 VAL 41 1HG1 VAL 41 -0.889 7.532 11.456 246 HG12 VAL 41 2HG1 VAL 41 -2.219 6.980 10.437 247 HG13 VAL 41 3HG1 VAL 41 -2.510 7.371 12.132 248 HG21 VAL 41 3HG2 VAL 41 -3.431 4.809 12.403 249 HG22 VAL 41 1HG2 VAL 41 -3.172 4.859 10.659 250 HG23 VAL 41 2HG2 VAL 41 -2.418 3.592 11.626 251 H THR 42 H THR 42 1.145 6.097 9.258 252 HA THR 42 HA THR 42 2.800 7.506 11.247 253 HB THR 42 HB THR 42 4.729 7.256 9.674 254 HG1 THR 42 HG1 THR 42 4.326 6.426 7.780 255 HG21 THR 42 3HG2 THR 42 4.220 4.459 10.138 256 HG22 THR 42 1HG2 THR 42 3.693 5.419 11.519 257 HG23 THR 42 2HG2 THR 42 5.357 5.536 10.948 258 HA PRO 43 HA PRO 43 1.991 11.207 9.025 259 HB2 PRO 43 1HB PRO 43 4.302 12.574 9.430 260 HB3 PRO 43 2HB PRO 43 3.104 12.314 10.704 261 HG2 PRO 43 1HG PRO 43 5.651 10.836 10.169 262 HG3 PRO 43 2HG PRO 43 4.980 11.384 11.716 263 HD2 PRO 43 1HD PRO 43 4.772 8.823 10.864 264 HD3 PRO 43 2HD PRO 43 3.526 9.601 11.860 265 H LEU 44 H LEU 44 4.013 8.898 7.881 266 HA LEU 44 HA LEU 44 4.993 10.503 5.628 267 HB2 LEU 44 1HB LEU 44 6.398 8.817 7.092 268 HB3 LEU 44 2HB LEU 44 5.703 7.634 5.985 269 HG LEU 44 HG LEU 44 7.248 10.038 5.039 270 HD11 LEU 44 1HD1 LEU 44 8.442 7.310 5.180 271 HD12 LEU 44 2HD1 LEU 44 8.474 8.348 6.604 272 HD13 LEU 44 3HD1 LEU 44 9.233 8.884 5.106 273 HD21 LEU 44 3HD2 LEU 44 5.654 8.697 3.535 274 HD22 LEU 44 1HD2 LEU 44 6.860 7.415 3.640 275 HD23 LEU 44 2HD2 LEU 44 7.298 8.983 2.961 276 H LYS 45 H LYS 45 3.300 7.454 6.320 277 HA LYS 45 HA LYS 45 2.657 6.868 3.631 278 HB2 LYS 45 1HB LYS 45 1.169 6.000 6.115 279 HB3 LYS 45 2HB LYS 45 1.119 5.224 4.537 280 HG2 LYS 45 1HG LYS 45 3.356 4.474 4.734 281 HG3 LYS 45 2HG LYS 45 3.639 5.483 6.154 282 HD2 LYS 45 1HD LYS 45 1.726 4.117 7.223 283 HD3 LYS 45 2HD LYS 45 2.020 2.970 5.914 284 HE2 LYS 45 1HE LYS 45 4.499 3.148 6.668 285 HE3 LYS 45 2HE LYS 45 3.818 3.783 8.165 286 HZ1 LYS 45 3HZ LYS 45 4.218 1.325 8.111 287 HZ2 LYS 45 1HZ LYS 45 2.968 1.204 6.977 288 HZ3 LYS 45 2HZ LYS 45 2.646 1.785 8.533 289 H ARG 46 H ARG 46 0.632 8.189 6.256 290 HA ARG 46 HA ARG 46 -1.740 8.605 5.113 291 HB2 ARG 46 1HB ARG 46 -0.150 10.599 6.727 292 HB3 ARG 46 2HB ARG 46 -1.842 10.836 6.309 293 HG2 ARG 46 1HG ARG 46 -2.485 8.891 7.552 294 HG3 ARG 46 2HG ARG 46 -0.797 8.469 7.844 295 HD2 ARG 46 1HD ARG 46 -1.549 9.482 9.833 296 HD3 ARG 46 2HD ARG 46 -0.587 10.709 9.011 297 HE ARG 46 HE ARG 46 -3.249 11.046 8.244 298 HH11 ARG 46 2HH1 ARG 46 -1.280 11.302 11.104 299 HH12 ARG 46 1HH1 ARG 46 -2.264 12.529 11.830 300 HH21 ARG 46 2HH2 ARG 46 -4.552 12.662 9.189 301 HH22 ARG 46 1HH2 ARG 46 -4.126 13.301 10.740 302 H ALA 47 H ALA 47 1.038 10.767 4.583 303 HA ALA 47 HA ALA 47 -0.339 12.331 2.616 304 HB1 ALA 47 3HB ALA 47 1.645 12.996 4.160 305 HB2 ALA 47 1HB ALA 47 2.638 12.302 2.878 306 HB3 ALA 47 2HB ALA 47 1.554 13.649 2.524 307 H GLY 48 H GLY 48 -0.923 11.350 0.769 308 HA2 GLY 48 1HA GLY 48 -0.654 10.441 -1.330 309 HA3 GLY 48 2HA GLY 48 1.084 10.535 -1.086 310 H TRP 49 H TRP 49 -1.537 8.730 0.520 311 HA TRP 49 HA TRP 49 0.124 6.383 0.692 312 HB2 TRP 49 1HB TRP 49 -1.449 6.976 2.497 313 HB3 TRP 49 2HB TRP 49 -2.798 6.753 1.387 314 HD1 TRP 49 HD1 TRP 49 0.082 4.640 2.905 315 HE1 TRP 49 HE1 TRP 49 -0.773 2.229 3.190 316 HE3 TRP 49 HE3 TRP 49 -4.551 5.169 0.810 317 HZ2 TRP 49 HZ2 TRP 49 -3.103 0.747 2.604 318 HZ3 TRP 49 HZ3 TRP 49 -6.032 3.206 0.711 319 HH2 TRP 49 HH2 TRP 49 -5.320 1.042 1.589 320 H GLN 50 H GLN 50 -0.641 4.250 -0.064 321 HA GLN 50 HA GLN 50 -2.424 4.266 -2.358 322 HB2 GLN 50 1HB GLN 50 0.523 3.965 -2.545 323 HB3 GLN 50 2HB GLN 50 -0.448 2.863 -3.513 324 HG2 GLN 50 1HG GLN 50 -1.667 5.030 -4.270 325 HG3 GLN 50 2HG GLN 50 -0.205 5.829 -3.694 326 HE21 GLN 50 1HE2 GLN 50 -1.417 3.372 -5.899 327 HE22 GLN 50 2HE2 GLN 50 -0.120 3.487 -7.034 328 H CYS 51 H CYS 51 -3.707 2.567 -2.147 329 HA CYS 51 HA CYS 51 -3.403 0.556 -0.251 330 HB2 CYS 51 1HB CYS 51 -5.370 -0.334 -1.070 331 HB3 CYS 51 2HB CYS 51 -5.472 1.311 -1.691 332 HA PRO 52 HA PRO 52 -0.661 -2.423 -1.940 333 HB2 PRO 52 1HB PRO 52 -1.779 -4.746 -1.088 334 HB3 PRO 52 2HB PRO 52 -0.949 -3.624 -0.002 335 HG2 PRO 52 1HG PRO 52 -3.882 -3.963 -0.494 336 HG3 PRO 52 2HG PRO 52 -3.024 -3.738 1.041 337 HD2 PRO 52 1HD PRO 52 -4.312 -1.716 -0.218 338 HD3 PRO 52 2HD PRO 52 -2.848 -1.457 0.753 339 H GLU 53 H GLU 53 -3.928 -2.299 -2.919 340 HA GLU 53 HA GLU 53 -3.686 -4.430 -4.877 341 HB2 GLU 53 1HB GLU 53 -5.950 -2.460 -4.547 342 HB3 GLU 53 2HB GLU 53 -5.990 -3.996 -5.402 343 HG2 GLU 53 1HG GLU 53 -5.296 -4.021 -2.517 344 HG3 GLU 53 2HG GLU 53 -6.973 -3.724 -2.972 345 H CYS 54 H CYS 54 -2.977 -1.135 -4.674 346 HA CYS 54 HA CYS 54 -2.881 -0.931 -7.613 347 HB2 CYS 54 1HB CYS 54 -3.462 1.241 -5.591 348 HB3 CYS 54 2HB CYS 54 -3.151 1.542 -7.297 349 H LYS 55 H LYS 55 -1.218 -0.690 -4.626 350 HA LYS 55 HA LYS 55 0.910 0.995 -5.284 351 HB2 LYS 55 1HB LYS 55 1.996 0.162 -3.389 352 HB3 LYS 55 2HB LYS 55 0.292 -0.067 -3.018 353 HG2 LYS 55 1HG LYS 55 0.460 -2.415 -3.655 354 HG3 LYS 55 2HG LYS 55 2.166 -2.189 -4.046 355 HD2 LYS 55 1HD LYS 55 1.040 -1.592 -1.321 356 HD3 LYS 55 2HD LYS 55 1.636 -3.192 -1.770 357 HE2 LYS 55 1HE LYS 55 3.830 -2.347 -2.158 358 HE3 LYS 55 2HE LYS 55 3.277 -0.678 -2.021 359 HZ1 LYS 55 3HZ LYS 55 2.577 -1.444 0.342 360 HZ2 LYS 55 1HZ LYS 55 4.191 -1.043 0.034 361 HZ3 LYS 55 2HZ LYS 55 3.721 -2.666 0.097 362 H VAL 56 H VAL 56 3.043 0.552 -5.979 363 HA VAL 56 HA VAL 56 3.698 -2.044 -7.057 364 HB VAL 56 HB VAL 56 4.022 -1.363 -9.346 365 HG11 VAL 56 1HG1 VAL 56 1.263 -0.484 -8.514 366 HG12 VAL 56 2HG1 VAL 56 1.750 -1.179 -10.061 367 HG13 VAL 56 3HG1 VAL 56 1.775 -2.169 -8.601 368 HG21 VAL 56 3HG2 VAL 56 4.592 0.835 -9.486 369 HG22 VAL 56 1HG2 VAL 56 2.880 0.981 -9.884 370 HG23 VAL 56 2HG2 VAL 56 3.438 1.329 -8.247 371 H CYS 57 H CYS 57 5.895 -1.981 -8.144 372 HA CYS 57 HA CYS 57 7.747 -0.740 -6.400 373 HB2 CYS 57 1HB CYS 57 8.253 -2.856 -7.504 374 HB3 CYS 57 2HB CYS 57 8.182 -2.074 -9.080 375 H GLN 58 H GLN 58 8.200 1.355 -6.374 376 HA GLN 58 HA GLN 58 7.672 3.105 -8.546 377 HB2 GLN 58 1HB GLN 58 9.216 3.486 -5.981 378 HB3 GLN 58 2HB GLN 58 8.914 4.782 -7.131 379 HG2 GLN 58 1HG GLN 58 6.620 3.206 -6.069 380 HG3 GLN 58 2HG GLN 58 7.363 4.449 -5.064 381 HE21 GLN 58 1HE2 GLN 58 4.966 3.864 -7.219 382 HE22 GLN 58 2HE2 GLN 58 4.697 5.468 -7.803 383 H ASN 59 H ASN 59 10.339 1.126 -7.726 384 HA ASN 59 HA ASN 59 12.405 2.624 -8.971 385 HB2 ASN 59 1HB ASN 59 12.424 -0.375 -8.727 386 HB3 ASN 59 2HB ASN 59 13.779 0.747 -8.629 387 HD21 ASN 59 1HD2 ASN 59 13.566 2.363 -6.785 388 HD22 ASN 59 2HD2 ASN 59 13.060 1.714 -5.265 389 H CYS 60 H CYS 60 10.748 -0.347 -10.056 390 HA CYS 60 HA CYS 60 11.524 0.291 -12.809 391 HB2 CYS 60 1HB CYS 60 10.989 -2.014 -13.335 392 HB3 CYS 60 2HB CYS 60 12.043 -1.971 -11.925 393 H LYS 61 H LYS 61 9.051 1.011 -10.851 394 HA LYS 61 HA LYS 61 6.863 1.583 -11.114 395 HB2 LYS 61 1HB LYS 61 7.756 1.856 -13.990 396 HB3 LYS 61 2HB LYS 61 6.241 2.478 -13.348 397 HG2 LYS 61 1HG LYS 61 8.912 3.294 -12.244 398 HG3 LYS 61 2HG LYS 61 8.143 4.128 -13.597 399 HD2 LYS 61 1HD LYS 61 6.114 4.390 -12.095 400 HD3 LYS 61 2HD LYS 61 7.149 3.858 -10.768 401 HE2 LYS 61 1HE LYS 61 7.860 6.163 -12.565 402 HE3 LYS 61 2HE LYS 61 6.913 6.363 -11.092 403 HZ1 LYS 61 3HZ LYS 61 9.616 6.419 -11.242 404 HZ2 LYS 61 1HZ LYS 61 9.319 4.844 -10.700 405 HZ3 LYS 61 2HZ LYS 61 8.721 6.165 -9.828 406 H GLN 62 H GLN 62 7.435 -1.207 -11.164 407 HA GLN 62 HA GLN 62 5.064 -2.123 -12.610 408 HB2 GLN 62 1HB GLN 62 7.779 -3.438 -12.786 409 HB3 GLN 62 2HB GLN 62 6.283 -4.163 -13.358 410 HG2 GLN 62 1HG GLN 62 6.122 -1.901 -14.710 411 HG3 GLN 62 2HG GLN 62 7.872 -1.934 -14.497 412 HE21 GLN 62 1HE2 GLN 62 9.034 -3.102 -15.865 413 HE22 GLN 62 2HE2 GLN 62 8.408 -4.267 -16.976 414 H SER 63 H SER 63 4.203 -4.139 -11.809 415 HA SER 63 HA SER 63 5.079 -4.742 -9.059 416 HB2 SER 63 1HB SER 63 2.746 -3.556 -9.586 417 HB3 SER 63 2HB SER 63 2.246 -5.226 -9.849 418 HG SER 63 HG SER 63 3.731 -4.732 -7.559 419 H GLY 64 H GLY 64 3.735 -6.937 -8.438 420 HA2 GLY 64 1HA GLY 64 3.058 -9.054 -9.663 421 HA3 GLY 64 2HA GLY 64 4.599 -8.876 -10.489 422 H GLU 65 H GLU 65 6.557 -8.976 -9.168 423 HA GLU 65 HA GLU 65 6.569 -11.221 -7.485 424 HB2 GLU 65 1HB GLU 65 8.676 -9.059 -7.579 425 HB3 GLU 65 2HB GLU 65 8.893 -10.734 -7.090 426 HG2 GLU 65 1HG GLU 65 8.053 -9.924 -9.858 427 HG3 GLU 65 2HG GLU 65 9.734 -10.143 -9.377 428 H ASP 66 H ASP 66 5.060 -10.920 -5.834 429 HA ASP 66 HA ASP 66 5.153 -8.682 -4.062 430 HB2 ASP 66 1HB ASP 66 3.742 -11.343 -3.974 431 HB3 ASP 66 2HB ASP 66 3.644 -10.196 -2.642 432 H SER 67 H SER 67 5.913 -12.133 -3.560 433 HA SER 67 HA SER 67 6.923 -12.052 -1.031 434 HB2 SER 67 1HB SER 67 8.484 -13.926 -1.798 435 HB3 SER 67 2HB SER 67 6.762 -14.171 -2.086 436 HG SER 67 HG SER 67 8.820 -13.893 -3.876 437 H LYS 68 H LYS 68 8.719 -11.370 -4.019 438 HA LYS 68 HA LYS 68 11.159 -10.756 -2.681 439 HB2 LYS 68 1HB LYS 68 10.157 -10.241 -5.477 440 HB3 LYS 68 2HB LYS 68 11.746 -9.716 -4.938 441 HG2 LYS 68 1HG LYS 68 12.028 -12.210 -4.242 442 HG3 LYS 68 2HG LYS 68 10.716 -12.477 -5.392 443 HD2 LYS 68 1HD LYS 68 13.041 -10.810 -6.227 444 HD3 LYS 68 2HD LYS 68 13.234 -12.563 -6.157 445 HE2 LYS 68 1HE LYS 68 10.893 -11.346 -7.571 446 HE3 LYS 68 2HE LYS 68 12.461 -11.449 -8.370 447 HZ1 LYS 68 3HZ LYS 68 12.405 -13.741 -8.373 448 HZ2 LYS 68 1HZ LYS 68 10.781 -13.360 -8.653 449 HZ3 LYS 68 2HZ LYS 68 11.283 -13.837 -7.111 450 H MET 69 H MET 69 8.456 -8.839 -3.897 451 HA MET 69 HA MET 69 9.528 -6.291 -3.634 452 HB2 MET 69 1HB MET 69 7.379 -6.702 -4.706 453 HB3 MET 69 2HB MET 69 6.683 -7.204 -3.171 454 HG2 MET 69 1HG MET 69 6.985 -4.959 -2.284 455 HG3 MET 69 2HG MET 69 7.719 -4.450 -3.803 456 HE1 MET 69 3HE MET 69 5.788 -4.072 -6.258 457 HE2 MET 69 1HE MET 69 5.068 -2.756 -5.329 458 HE3 MET 69 2HE MET 69 6.774 -3.154 -5.119 459 H LEU 70 H LEU 70 10.379 -5.319 -1.926 460 HA LEU 70 HA LEU 70 9.688 -6.219 0.756 461 HB2 LEU 70 1HB LEU 70 11.819 -4.403 -0.336 462 HB3 LEU 70 2HB LEU 70 11.528 -4.582 1.393 463 HG LEU 70 HG LEU 70 12.031 -7.039 -0.210 464 HD11 LEU 70 1HD1 LEU 70 13.786 -5.713 -1.068 465 HD12 LEU 70 2HD1 LEU 70 14.493 -6.682 0.224 466 HD13 LEU 70 3HD1 LEU 70 14.107 -4.985 0.506 467 HD21 LEU 70 3HD2 LEU 70 11.682 -6.443 2.470 468 HD22 LEU 70 1HD2 LEU 70 13.423 -6.670 2.306 469 HD23 LEU 70 2HD2 LEU 70 12.316 -7.948 1.803 470 H VAL 71 H VAL 71 8.131 -5.259 1.866 471 HA VAL 71 HA VAL 71 7.306 -2.545 1.136 472 HB VAL 71 HB VAL 71 5.930 -4.549 2.931 473 HG11 VAL 71 1HG1 VAL 71 4.131 -2.629 1.943 474 HG12 VAL 71 2HG1 VAL 71 4.677 -2.845 3.607 475 HG13 VAL 71 3HG1 VAL 71 5.535 -1.740 2.533 476 HG21 VAL 71 3HG2 VAL 71 4.389 -4.890 1.087 477 HG22 VAL 71 1HG2 VAL 71 5.285 -3.737 0.098 478 HG23 VAL 71 2HG2 VAL 71 6.036 -5.259 0.575 479 H CYS 72 H CYS 72 8.320 -0.984 2.215 480 HA CYS 72 HA CYS 72 9.711 -1.239 4.608 481 HB2 CYS 72 1HB CYS 72 9.723 0.675 2.862 482 HB3 CYS 72 2HB CYS 72 8.396 1.343 3.806 483 H ASP 73 H ASP 73 9.222 -0.151 6.688 484 HA ASP 73 HA ASP 73 6.430 -0.670 7.450 485 HB2 ASP 73 1HB ASP 73 9.040 -0.951 8.854 486 HB3 ASP 73 2HB ASP 73 7.640 -0.505 9.826 487 H THR 74 H THR 74 8.713 1.807 7.010 488 HA THR 74 HA THR 74 7.324 3.657 8.801 489 HB THR 74 HB THR 74 9.833 4.030 7.154 490 HG1 THR 74 HG1 THR 74 9.317 3.466 9.883 491 HG21 THR 74 3HG2 THR 74 10.039 6.187 7.975 492 HG22 THR 74 1HG2 THR 74 8.932 5.894 9.315 493 HG23 THR 74 2HG2 THR 74 8.305 6.077 7.677 494 H CYS 75 H CYS 75 8.537 3.780 5.443 495 HA CYS 75 HA CYS 75 6.592 5.806 4.765 496 HB2 CYS 75 1HB CYS 75 7.669 5.855 2.595 497 HB3 CYS 75 2HB CYS 75 8.902 5.849 3.853 498 H ASP 76 H ASP 76 6.912 2.376 4.508 499 HA ASP 76 HA ASP 76 5.508 0.750 3.760 500 HB2 ASP 76 1HB ASP 76 3.846 2.271 4.995 501 HB3 ASP 76 2HB ASP 76 3.381 2.852 3.398 502 H LYS 77 H LYS 77 7.208 1.546 1.891 503 HA LYS 77 HA LYS 77 5.597 1.874 -0.555 504 HB2 LYS 77 1HB LYS 77 8.402 2.728 0.118 505 HB3 LYS 77 2HB LYS 77 7.876 2.563 -1.552 506 HG2 LYS 77 1HG LYS 77 6.216 4.199 0.290 507 HG3 LYS 77 2HG LYS 77 7.746 4.864 -0.283 508 HD2 LYS 77 1HD LYS 77 7.063 4.636 -2.568 509 HD3 LYS 77 2HD LYS 77 5.615 3.743 -2.098 510 HE2 LYS 77 1HE LYS 77 4.926 5.810 -0.809 511 HE3 LYS 77 2HE LYS 77 6.239 6.650 -1.631 512 HZ1 LYS 77 3HZ LYS 77 4.986 6.880 -3.428 513 HZ2 LYS 77 1HZ LYS 77 3.674 6.249 -2.565 514 HZ3 LYS 77 2HZ LYS 77 4.648 5.223 -3.492 515 H GLY 78 H GLY 78 6.090 0.586 -2.371 516 HA2 GLY 78 1HA GLY 78 7.198 -2.016 -1.652 517 HA3 GLY 78 2HA GLY 78 6.274 -1.642 -3.099 518 H TYR 79 H TYR 79 9.153 -2.696 -2.211 519 HA TYR 79 HA TYR 79 10.448 -1.583 -4.582 520 HB2 TYR 79 1HB TYR 79 11.768 -1.655 -1.861 521 HB3 TYR 79 2HB TYR 79 12.546 -1.184 -3.368 522 HD1 TYR 79 HD2 TYR 79 10.876 0.647 -4.674 523 HD2 TYR 79 HD1 TYR 79 11.378 0.140 -0.479 524 HE1 TYR 79 HE2 TYR 79 10.171 2.976 -4.314 525 HE2 TYR 79 HE1 TYR 79 10.674 2.467 -0.107 526 HH TYR 79 HH TYR 79 9.067 4.180 -1.704 527 H HIS 80 H HIS 80 11.002 -3.261 -5.788 528 HA HIS 80 HA HIS 80 11.151 -5.915 -4.818 529 HB2 HIS 80 1HB HIS 80 12.208 -4.813 -7.429 530 HB3 HIS 80 2HB HIS 80 11.875 -6.505 -7.072 531 HD2 HIS 80 HD2 HIS 80 8.844 -5.701 -5.682 532 HE1 HIS 80 HE1 HIS 80 8.029 -4.640 -9.708 533 HE2 HIS 80 HE2 HIS 80 7.041 -5.101 -7.438 534 H THR 81 H THR 81 12.826 -7.129 -4.143 535 HA THR 81 HA THR 81 15.084 -6.117 -3.022 536 HB THR 81 HB THR 81 16.131 -8.399 -3.364 537 HG1 THR 81 HG1 THR 81 13.778 -8.664 -4.902 538 HG21 THR 81 3HG2 THR 81 13.345 -8.165 -2.232 539 HG22 THR 81 1HG2 THR 81 14.873 -7.991 -1.370 540 HG23 THR 81 2HG2 THR 81 14.385 -9.568 -1.991 541 H PHE 82 H PHE 82 14.879 -7.472 -6.311 542 HA PHE 82 HA PHE 82 17.556 -6.889 -7.002 543 HB2 PHE 82 1HB PHE 82 16.697 -7.182 -9.376 544 HB3 PHE 82 2HB PHE 82 16.441 -8.543 -8.289 545 HD1 PHE 82 HD2 PHE 82 14.842 -5.825 -10.138 546 HD2 PHE 82 HD1 PHE 82 14.227 -9.155 -7.560 547 HE1 PHE 82 HE2 PHE 82 12.437 -5.775 -10.654 548 HE2 PHE 82 HE1 PHE 82 11.821 -9.112 -8.072 549 HZ PHE 82 HZ PHE 82 10.923 -7.420 -9.620 550 H CYS 83 H CYS 83 14.721 -4.958 -6.835 551 HA CYS 83 HA CYS 83 15.821 -2.878 -8.557 552 HB2 CYS 83 1HB CYS 83 13.190 -3.158 -7.101 553 HB3 CYS 83 2HB CYS 83 13.652 -1.700 -7.973 554 H LEU 84 H LEU 84 16.906 -3.706 -5.842 555 HA LEU 84 HA LEU 84 16.697 -1.104 -4.485 556 HB2 LEU 84 1HB LEU 84 17.307 -3.868 -3.506 557 HB3 LEU 84 2HB LEU 84 17.792 -2.452 -2.574 558 HG LEU 84 HG LEU 84 14.981 -3.286 -3.283 559 HD11 LEU 84 1HD1 LEU 84 16.375 -4.384 -1.375 560 HD12 LEU 84 2HD1 LEU 84 14.711 -3.884 -1.078 561 HD13 LEU 84 3HD1 LEU 84 16.047 -2.874 -0.526 562 HD21 LEU 84 3HD2 LEU 84 14.742 -1.010 -3.330 563 HD22 LEU 84 1HD2 LEU 84 16.099 -0.733 -2.238 564 HD23 LEU 84 2HD2 LEU 84 14.558 -1.306 -1.600 565 H GLN 85 H GLN 85 18.552 -0.004 -3.848 566 HA GLN 85 HA GLN 85 21.086 -1.013 -4.956 567 HB2 GLN 85 1HB GLN 85 21.674 1.346 -5.492 568 HB3 GLN 85 2HB GLN 85 20.317 0.731 -6.426 569 HG2 GLN 85 1HG GLN 85 18.855 1.831 -4.616 570 HG3 GLN 85 2HG GLN 85 20.318 2.719 -4.194 571 HE21 GLN 85 1HE2 GLN 85 17.981 3.937 -5.102 572 HE22 GLN 85 2HE2 GLN 85 18.295 4.656 -6.641 573 HA PRO 86 HA PRO 86 22.627 -1.902 -4.351 574 HB2 PRO 86 1HB PRO 86 23.312 -3.746 -2.481 575 HB3 PRO 86 2HB PRO 86 24.373 -2.412 -2.948 576 HG2 PRO 86 1HG PRO 86 22.566 -2.653 -0.574 577 HG3 PRO 86 2HG PRO 86 24.224 -2.029 -0.659 578 HD2 PRO 86 1HD PRO 86 22.059 -0.406 -0.578 579 HD3 PRO 86 2HD PRO 86 23.543 0.026 -1.450 580 H VAL 87 H VAL 87 22.087 -4.344 -4.418 581 HA VAL 87 HA VAL 87 19.214 -4.578 -4.141 582 HB VAL 87 HB VAL 87 21.331 -6.236 -5.465 583 HG11 VAL 87 1HG1 VAL 87 18.484 -7.101 -4.971 584 HG12 VAL 87 2HG1 VAL 87 19.636 -7.918 -6.028 585 HG13 VAL 87 3HG1 VAL 87 19.932 -7.843 -4.291 586 HG21 VAL 87 3HG2 VAL 87 20.181 -4.256 -6.554 587 HG22 VAL 87 1HG2 VAL 87 20.130 -5.777 -7.446 588 HG23 VAL 87 2HG2 VAL 87 18.711 -5.231 -6.552 589 H MET 88 H MET 88 18.134 -6.226 -3.007 590 HA MET 88 HA MET 88 19.538 -7.095 -0.609 591 HB2 MET 88 1HB MET 88 16.658 -6.931 -1.424 592 HB3 MET 88 2HB MET 88 17.128 -7.943 -0.066 593 HG2 MET 88 1HG MET 88 17.871 -5.042 -0.249 594 HG3 MET 88 2HG MET 88 16.360 -5.596 0.467 595 HE1 MET 88 3HE MET 88 17.196 -7.348 3.600 596 HE2 MET 88 1HE MET 88 16.482 -5.750 3.380 597 HE3 MET 88 2HE MET 88 16.078 -7.057 2.266 598 H LYS 89 H LYS 89 20.416 -9.041 -0.453 599 HA LYS 89 HA LYS 89 20.131 -11.022 -2.460 600 HB2 LYS 89 1HB LYS 89 21.328 -11.168 0.312 601 HB3 LYS 89 2HB LYS 89 21.454 -12.447 -0.887 602 HG2 LYS 89 1HG LYS 89 22.461 -9.646 -1.320 603 HG3 LYS 89 2HG LYS 89 23.455 -10.971 -0.711 604 HD2 LYS 89 1HD LYS 89 23.523 -12.027 -2.730 605 HD3 LYS 89 2HD LYS 89 21.926 -11.448 -3.209 606 HE2 LYS 89 1HE LYS 89 23.509 -10.368 -4.613 607 HE3 LYS 89 2HE LYS 89 22.938 -9.164 -3.458 608 HZ1 LYS 89 3HZ LYS 89 25.415 -10.713 -2.998 609 HZ2 LYS 89 1HZ LYS 89 24.928 -9.268 -2.265 610 HZ3 LYS 89 2HZ LYS 89 25.418 -9.272 -3.884 611 H SER 90 H SER 90 18.690 -10.566 0.716 612 HA SER 90 HA SER 90 16.576 -12.414 0.051 613 HB2 SER 90 1HB SER 90 18.529 -13.003 2.279 614 HB3 SER 90 2HB SER 90 16.915 -13.712 2.214 615 HG SER 90 HG SER 90 18.301 -15.130 1.219 616 H VAL 91 H VAL 91 15.043 -12.605 2.039 617 HA VAL 91 HA VAL 91 14.606 -9.878 2.992 618 HB VAL 91 HB VAL 91 12.749 -12.236 3.292 619 HG11 VAL 91 1HG1 VAL 91 12.611 -9.895 4.566 620 HG12 VAL 91 2HG1 VAL 91 11.796 -9.442 3.067 621 HG13 VAL 91 3HG1 VAL 91 11.178 -10.778 4.039 622 HG21 VAL 91 3HG2 VAL 91 11.568 -11.169 1.306 623 HG22 VAL 91 1HG2 VAL 91 13.074 -10.299 1.018 624 HG23 VAL 91 2HG2 VAL 91 13.049 -12.062 0.963 625 HA PRO 92 HA PRO 92 16.168 -10.930 7.006 626 HB2 PRO 92 1HB PRO 92 15.367 -8.661 8.263 627 HB3 PRO 92 2HB PRO 92 16.760 -8.716 7.176 628 HG2 PRO 92 1HG PRO 92 13.966 -7.792 6.629 629 HG3 PRO 92 2HG PRO 92 15.503 -7.056 6.141 630 HD2 PRO 92 1HD PRO 92 14.007 -8.558 4.456 631 HD3 PRO 92 2HD PRO 92 15.779 -8.507 4.371 632 H THR 93 H THR 93 13.019 -10.951 6.033 633 HA THR 93 HA THR 93 10.975 -11.218 7.113 634 HB THR 93 HB THR 93 12.530 -13.414 8.477 635 HG1 THR 93 HG1 THR 93 13.104 -13.617 6.359 636 HG21 THR 93 3HG2 THR 93 10.173 -14.459 7.581 637 HG22 THR 93 1HG2 THR 93 9.699 -12.812 7.994 638 HG23 THR 93 2HG2 THR 93 10.446 -13.845 9.212 639 H ASN 94 H ASN 94 12.492 -9.240 8.490 640 HA ASN 94 HA ASN 94 11.100 -9.161 10.942 641 HB2 ASN 94 1HB ASN 94 12.860 -10.853 11.520 642 HB3 ASN 94 2HB ASN 94 14.076 -9.611 11.236 643 HD21 ASN 94 1HD2 ASN 94 14.857 -9.325 13.234 644 HD22 ASN 94 2HD2 ASN 94 13.921 -8.814 14.593 645 H GLY 95 H GLY 95 10.572 -7.073 10.702 646 HA2 GLY 95 1HA GLY 95 10.784 -4.806 10.347 647 HA3 GLY 95 2HA GLY 95 12.198 -4.981 11.376 648 H TRP 96 H TRP 96 11.036 -4.508 8.167 649 HA TRP 96 HA TRP 96 13.802 -4.447 7.157 650 HB2 TRP 96 1HB TRP 96 12.379 -6.015 5.947 651 HB3 TRP 96 2HB TRP 96 11.197 -4.744 5.646 652 HD1 TRP 96 HD1 TRP 96 14.793 -5.737 4.651 653 HE1 TRP 96 HE1 TRP 96 15.313 -4.678 2.364 654 HE3 TRP 96 HE3 TRP 96 10.540 -2.964 4.055 655 HZ2 TRP 96 HZ2 TRP 96 14.084 -2.901 0.548 656 HZ3 TRP 96 HZ3 TRP 96 10.290 -1.612 2.015 657 HH2 TRP 96 HH2 TRP 96 12.027 -1.582 0.299 658 H LYS 97 H LYS 97 14.640 -2.481 7.039 659 HA LYS 97 HA LYS 97 12.849 -0.187 6.641 660 HB2 LYS 97 1HB LYS 97 14.503 -0.371 8.624 661 HB3 LYS 97 2HB LYS 97 15.743 0.002 7.434 662 HG2 LYS 97 1HG LYS 97 14.936 2.144 7.073 663 HG3 LYS 97 2HG LYS 97 13.340 1.758 7.722 664 HD2 LYS 97 1HD LYS 97 14.674 3.177 9.242 665 HD3 LYS 97 2HD LYS 97 14.242 1.624 9.962 666 HE2 LYS 97 1HE LYS 97 16.510 0.795 9.215 667 HE3 LYS 97 2HE LYS 97 16.901 2.470 8.832 668 HZ1 LYS 97 3HZ LYS 97 16.052 1.514 11.511 669 HZ2 LYS 97 1HZ LYS 97 16.572 3.075 11.114 670 HZ3 LYS 97 2HZ LYS 97 17.659 1.780 11.053 671 H CYS 98 H CYS 98 12.927 1.006 4.837 672 HA CYS 98 HA CYS 98 14.650 0.142 2.681 673 HB2 CYS 98 1HB CYS 98 13.216 1.253 1.259 674 HB3 CYS 98 2HB CYS 98 12.130 0.913 2.603 675 H LYS 99 H LYS 99 15.661 1.901 1.281 676 HA LYS 99 HA LYS 99 17.636 3.237 2.786 677 HB2 LYS 99 1HB LYS 99 18.112 2.527 0.534 678 HB3 LYS 99 2HB LYS 99 16.805 3.514 -0.105 679 HG2 LYS 99 1HG LYS 99 18.009 5.536 0.605 680 HG3 LYS 99 2HG LYS 99 19.335 4.522 1.180 681 HD2 LYS 99 1HD LYS 99 20.126 5.019 -0.902 682 HD3 LYS 99 2HD LYS 99 19.188 3.575 -1.292 683 HE2 LYS 99 1HE LYS 99 17.393 4.856 -2.140 684 HE3 LYS 99 2HE LYS 99 18.028 6.346 -1.443 685 HZ1 LYS 99 3HZ LYS 99 18.815 4.952 -3.882 686 HZ2 LYS 99 1HZ LYS 99 20.047 5.709 -3.003 687 HZ3 LYS 99 2HZ LYS 99 18.730 6.611 -3.563 688 H ASN 100 H ASN 100 15.158 4.691 0.665 689 HA ASN 100 HA ASN 100 15.402 7.306 1.227 690 HB2 ASN 100 1HB ASN 100 13.693 6.626 -0.285 691 HB3 ASN 100 2HB ASN 100 12.863 5.697 0.960 692 HD21 ASN 100 1HD2 ASN 100 14.111 9.012 0.719 693 HD22 ASN 100 2HD2 ASN 100 12.640 9.780 1.200 694 H CYS 101 H CYS 101 14.352 4.863 3.445 695 HA CYS 101 HA CYS 101 13.494 6.847 5.412 696 HB2 CYS 101 1HB CYS 101 13.276 3.856 5.226 697 HB3 CYS 101 2HB CYS 101 13.042 4.676 6.767 698 H ARG 102 H ARG 102 15.999 4.437 4.862 699 HA ARG 102 HA ARG 102 17.222 4.307 7.314 700 HB2 ARG 102 1HB ARG 102 19.014 3.376 6.234 701 HB3 ARG 102 2HB ARG 102 17.816 3.261 4.951 702 HG2 ARG 102 1HG ARG 102 18.704 5.169 3.842 703 HG3 ARG 102 2HG ARG 102 19.754 5.546 5.210 704 HD2 ARG 102 1HD ARG 102 20.847 4.419 3.219 705 HD3 ARG 102 2HD ARG 102 21.134 3.684 4.796 706 HE ARG 102 HE ARG 102 19.008 2.307 3.889 707 HH11 ARG 102 2HH1 ARG 102 22.079 3.108 2.457 708 HH12 ARG 102 1HH1 ARG 102 22.144 1.678 1.481 709 HH21 ARG 102 2HH2 ARG 102 19.082 0.420 2.608 710 HH22 ARG 102 1HH2 ARG 102 20.439 0.150 1.567 711 H ILE 103 H ILE 103 17.329 6.909 4.972 712 HA ILE 103 HA ILE 103 19.467 8.409 5.678 713 HB ILE 103 HB ILE 103 16.669 9.274 5.012 714 HG12 ILE 103 1HG1 ILE 103 18.212 10.241 3.056 715 HG13 ILE 103 2HG1 ILE 103 19.263 8.935 3.591 716 HG21 ILE 103 1HG2 ILE 103 17.799 11.574 4.667 717 HG22 ILE 103 2HG2 ILE 103 17.294 11.104 6.289 718 HG23 ILE 103 3HG2 ILE 103 18.990 10.978 5.823 719 HD11 ILE 103 3HD1 ILE 103 18.091 7.555 2.328 720 HD12 ILE 103 1HD1 ILE 103 16.701 7.827 3.378 721 HD13 ILE 103 2HD1 ILE 103 16.932 8.827 1.943 722 H CYS 104 H CYS 104 20.223 9.372 7.447 723 HA CYS 104 HA CYS 104 18.823 9.164 9.926 724 HB2 CYS 104 1HB CYS 104 21.307 9.002 9.693 725 HB3 CYS 104 2HB CYS 104 21.344 10.723 9.328 726 HG CYS 104 HG CYS 104 20.042 11.271 11.899 727 H ILE 105 H ILE 105 16.915 10.375 9.578 728 HA ILE 105 HA ILE 105 17.313 13.293 9.471 729 HB ILE 105 HB ILE 105 15.989 12.513 7.599 730 HG12 ILE 105 1HG1 ILE 105 13.709 13.661 8.392 731 HG13 ILE 105 2HG1 ILE 105 14.722 14.135 9.751 732 HG21 ILE 105 1HG2 ILE 105 14.876 10.598 7.939 733 HG22 ILE 105 2HG2 ILE 105 14.710 10.890 9.669 734 HG23 ILE 105 3HG2 ILE 105 13.582 11.636 8.537 735 HD11 ILE 105 3HD1 ILE 105 16.184 14.657 7.397 736 HD12 ILE 105 1HD1 ILE 105 14.552 15.284 7.160 737 HD13 ILE 105 2HD1 ILE 105 15.507 15.809 8.548 738 H SER 106 H SER 106 16.482 14.568 11.052 739 HA SER 106 HA SER 106 14.487 13.729 12.892 740 HB2 SER 106 1HB SER 106 16.312 12.375 13.798 741 HB3 SER 106 2HB SER 106 17.336 13.806 13.914 742 HG SER 106 HG SER 106 15.526 14.635 15.295 743 H GLY 107 H GLY 107 13.858 15.392 14.339 744 HA2 GLY 107 1HA GLY 107 15.256 17.959 14.042 745 HA3 GLY 107 2HA GLY 107 13.550 17.872 13.630 746 HA PRO 108 HA PRO 108 13.435 19.218 17.950 747 HB2 PRO 108 1HB PRO 108 10.940 20.275 17.772 748 HB3 PRO 108 2HB PRO 108 12.389 21.136 17.237 749 HG2 PRO 108 1HG PRO 108 10.391 19.601 15.620 750 HG3 PRO 108 2HG PRO 108 11.149 21.166 15.270 751 HD2 PRO 108 1HD PRO 108 11.985 18.854 14.133 752 HD3 PRO 108 2HD PRO 108 13.092 20.193 14.500 753 H SER 109 H SER 109 11.454 17.067 16.126 754 HA SER 109 HA SER 109 10.095 16.128 18.555 755 HB2 SER 109 1HB SER 109 9.503 15.675 15.625 756 HB3 SER 109 2HB SER 109 8.656 14.841 16.928 757 HG SER 109 HG SER 109 7.914 16.832 17.668 758 H SER 110 H SER 110 11.645 14.863 19.512 759 HA SER 110 HA SER 110 12.757 12.655 17.921 760 HB2 SER 110 1HB SER 110 13.689 14.078 20.394 761 HB3 SER 110 2HB SER 110 14.248 12.440 20.059 762 HG SER 110 HG SER 110 14.715 14.812 18.636 763 H GLY 111 H GLY 111 11.419 10.953 18.013 764 HA2 GLY 111 1HA GLY 111 10.966 9.690 20.568 765 HA3 GLY 111 2HA GLY 111 9.499 10.290 19.809 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -24.365 -6.908 4.957 2 HA2 GLY 1 1HA GLY 1 -25.425 -4.447 3.710 3 HA3 GLY 1 2HA GLY 1 -25.496 -6.033 2.955 4 H SER 2 H SER 2 -26.292 -4.924 6.243 5 HA SER 2 HA SER 2 -28.393 -6.570 6.759 6 HB2 SER 2 1HB SER 2 -27.920 -3.708 7.573 7 HB3 SER 2 2HB SER 2 -29.320 -4.610 8.154 8 HG SER 2 HG SER 2 -26.593 -5.331 8.484 9 H SER 3 H SER 3 -28.791 -3.267 5.465 10 HA SER 3 HA SER 3 -31.397 -4.093 4.383 11 HB2 SER 3 1HB SER 3 -31.929 -1.691 4.287 12 HB3 SER 3 2HB SER 3 -31.464 -2.175 5.918 13 HG SER 3 HG SER 3 -30.487 -0.182 4.840 14 H GLY 4 H GLY 4 -28.554 -2.117 3.529 15 HA2 GLY 4 1HA GLY 4 -27.724 -3.005 1.214 16 HA3 GLY 4 2HA GLY 4 -29.278 -2.368 0.698 17 H SER 5 H SER 5 -26.237 -1.461 2.274 18 HA SER 5 HA SER 5 -26.711 1.339 1.568 19 HB2 SER 5 1HB SER 5 -24.905 -0.069 3.487 20 HB3 SER 5 2HB SER 5 -24.405 1.505 2.869 21 HG SER 5 HG SER 5 -27.020 1.433 3.671 22 H SER 6 H SER 6 -24.766 2.566 0.751 23 HA SER 6 HA SER 6 -23.025 0.971 -0.974 24 HB2 SER 6 1HB SER 6 -23.569 2.162 -2.962 25 HB3 SER 6 2HB SER 6 -25.111 1.692 -2.247 26 HG SER 6 HG SER 6 -24.092 4.177 -2.707 27 H GLY 7 H GLY 7 -20.994 1.661 -0.840 28 HA2 GLY 7 1HA GLY 7 -20.042 4.229 -1.050 29 HA3 GLY 7 2HA GLY 7 -20.341 4.004 0.667 30 H ALA 8 H ALA 8 -17.809 4.539 -0.207 31 HA ALA 8 HA ALA 8 -16.263 2.206 -0.703 32 HB1 ALA 8 3HB ALA 8 -15.064 4.005 -1.371 33 HB2 ALA 8 1HB ALA 8 -15.713 5.048 -0.105 34 HB3 ALA 8 2HB ALA 8 -14.430 3.897 0.271 35 H ASN 9 H ASN 9 -16.543 0.607 0.787 36 HA ASN 9 HA ASN 9 -16.067 1.267 3.611 37 HB2 ASN 9 1HB ASN 9 -17.617 -0.874 2.222 38 HB3 ASN 9 2HB ASN 9 -16.924 -1.238 3.799 39 HD21 ASN 9 1HD2 ASN 9 -19.274 -1.485 4.251 40 HD22 ASN 9 2HD2 ASN 9 -20.136 -0.082 4.774 41 H CYS 10 H CYS 10 -14.910 -0.471 4.870 42 HA CYS 10 HA CYS 10 -12.307 -0.764 4.023 43 HB2 CYS 10 1HB CYS 10 -13.240 -1.110 6.360 44 HB3 CYS 10 2HB CYS 10 -13.684 -2.735 5.849 45 H ALA 11 H ALA 11 -11.374 -1.931 2.489 46 HA ALA 11 HA ALA 11 -12.825 -3.902 1.012 47 HB1 ALA 11 3HB ALA 11 -10.266 -2.508 0.776 48 HB2 ALA 11 1HB ALA 11 -10.238 -4.167 0.179 49 HB3 ALA 11 2HB ALA 11 -11.404 -3.014 -0.473 50 H VAL 12 H VAL 12 -11.574 -4.143 3.970 51 HA VAL 12 HA VAL 12 -10.655 -6.918 3.588 52 HB VAL 12 HB VAL 12 -10.027 -5.205 5.986 53 HG11 VAL 12 1HG1 VAL 12 -8.015 -7.033 5.648 54 HG12 VAL 12 2HG1 VAL 12 -9.389 -7.214 6.742 55 HG13 VAL 12 3HG1 VAL 12 -9.440 -7.936 5.133 56 HG21 VAL 12 3HG2 VAL 12 -7.694 -5.168 4.795 57 HG22 VAL 12 1HG2 VAL 12 -8.666 -5.369 3.337 58 HG23 VAL 12 2HG2 VAL 12 -8.926 -3.974 4.384 59 H CYS 13 H CYS 13 -12.750 -4.769 5.387 60 HA CYS 13 HA CYS 13 -14.127 -7.126 6.485 61 HB2 CYS 13 1HB CYS 13 -14.393 -6.136 8.603 62 HB3 CYS 13 2HB CYS 13 -12.715 -5.811 8.180 63 H ASP 14 H ASP 14 -14.496 -5.150 4.179 64 HA ASP 14 HA ASP 14 -16.133 -3.739 3.331 65 HB2 ASP 14 1HB ASP 14 -17.572 -6.244 4.216 66 HB3 ASP 14 2HB ASP 14 -18.310 -5.020 3.186 67 H SER 15 H SER 15 -15.572 -2.810 5.854 68 HA SER 15 HA SER 15 -18.238 -1.982 6.776 69 HB2 SER 15 1HB SER 15 -16.851 -3.695 8.262 70 HB3 SER 15 2HB SER 15 -16.042 -2.218 8.785 71 HG SER 15 HG SER 15 -17.848 -2.710 10.097 72 HA PRO 16 HA PRO 16 -16.672 2.103 6.310 73 HB2 PRO 16 1HB PRO 16 -18.376 3.414 7.968 74 HB3 PRO 16 2HB PRO 16 -18.863 2.790 6.387 75 HG2 PRO 16 1HG PRO 16 -19.277 1.600 9.102 76 HG3 PRO 16 2HG PRO 16 -20.411 1.709 7.744 77 HD2 PRO 16 1HD PRO 16 -19.050 -0.558 8.325 78 HD3 PRO 16 2HD PRO 16 -19.492 -0.108 6.665 79 H GLY 17 H GLY 17 -17.253 0.926 9.610 80 HA2 GLY 17 1HA GLY 17 -16.279 1.573 11.617 81 HA3 GLY 17 2HA GLY 17 -14.822 1.198 10.709 82 H ASP 18 H ASP 18 -13.348 2.729 10.927 83 HA ASP 18 HA ASP 18 -14.197 5.487 11.402 84 HB2 ASP 18 1HB ASP 18 -11.696 3.936 11.912 85 HB3 ASP 18 2HB ASP 18 -11.574 5.682 11.711 86 H LEU 19 H LEU 19 -13.759 7.156 10.045 87 HA LEU 19 HA LEU 19 -12.829 6.439 7.370 88 HB2 LEU 19 1HB LEU 19 -14.489 8.612 8.524 89 HB3 LEU 19 2HB LEU 19 -13.576 8.969 7.059 90 HG LEU 19 HG LEU 19 -15.895 8.324 6.584 91 HD11 LEU 19 1HD1 LEU 19 -14.113 7.874 4.954 92 HD12 LEU 19 2HD1 LEU 19 -15.412 6.686 4.866 93 HD13 LEU 19 3HD1 LEU 19 -13.891 6.271 5.656 94 HD21 LEU 19 3HD2 LEU 19 -16.278 5.749 6.855 95 HD22 LEU 19 1HD2 LEU 19 -16.604 6.848 8.195 96 HD23 LEU 19 2HD2 LEU 19 -15.105 5.919 8.161 97 H LEU 20 H LEU 20 -11.800 8.103 10.188 98 HA LEU 20 HA LEU 20 -9.755 9.621 8.774 99 HB2 LEU 20 1HB LEU 20 -10.623 9.468 11.644 100 HB3 LEU 20 2HB LEU 20 -9.149 10.304 11.162 101 HG LEU 20 HG LEU 20 -11.802 11.029 9.963 102 HD11 LEU 20 1HD1 LEU 20 -10.691 12.472 12.332 103 HD12 LEU 20 2HD1 LEU 20 -11.732 11.066 12.556 104 HD13 LEU 20 3HD1 LEU 20 -12.331 12.476 11.682 105 HD21 LEU 20 3HD2 LEU 20 -10.627 13.241 9.793 106 HD22 LEU 20 1HD2 LEU 20 -9.930 11.947 8.819 107 HD23 LEU 20 2HD2 LEU 20 -9.159 12.425 10.331 108 H ASP 21 H ASP 21 -10.076 6.827 10.873 109 HA ASP 21 HA ASP 21 -7.305 6.457 11.364 110 HB2 ASP 21 1HB ASP 21 -9.640 4.541 11.493 111 HB3 ASP 21 2HB ASP 21 -8.007 4.127 12.006 112 H GLN 22 H GLN 22 -9.549 5.084 8.985 113 HA GLN 22 HA GLN 22 -7.611 3.398 7.762 114 HB2 GLN 22 1HB GLN 22 -9.288 3.167 5.955 115 HB3 GLN 22 2HB GLN 22 -9.967 2.889 7.553 116 HG2 GLN 22 1HG GLN 22 -11.590 4.203 6.661 117 HG3 GLN 22 2HG GLN 22 -10.564 5.443 7.381 118 HE21 GLN 22 1HE2 GLN 22 -11.930 6.612 5.682 119 HE22 GLN 22 2HE2 GLN 22 -11.201 6.792 4.126 120 H PHE 23 H PHE 23 -6.817 3.611 5.554 121 HA PHE 23 HA PHE 23 -6.078 6.390 4.981 122 HB2 PHE 23 1HB PHE 23 -4.841 3.869 3.862 123 HB3 PHE 23 2HB PHE 23 -4.198 5.505 3.758 124 HD1 PHE 23 HD2 PHE 23 -4.900 2.708 6.058 125 HD2 PHE 23 HD1 PHE 23 -2.908 6.429 5.505 126 HE1 PHE 23 HE2 PHE 23 -3.639 2.339 8.138 127 HE2 PHE 23 HE1 PHE 23 -1.643 6.065 7.584 128 HZ PHE 23 HZ PHE 23 -2.009 4.018 8.904 129 H PHE 24 H PHE 24 -6.130 7.195 2.831 130 HA PHE 24 HA PHE 24 -8.130 5.848 1.141 131 HB2 PHE 24 1HB PHE 24 -9.035 7.927 1.812 132 HB3 PHE 24 2HB PHE 24 -7.506 8.764 1.565 133 HD1 PHE 24 HD1 PHE 24 -10.443 7.316 -0.085 134 HD2 PHE 24 HD2 PHE 24 -6.844 9.528 -0.605 135 HE1 PHE 24 HE1 PHE 24 -11.167 7.954 -2.348 136 HE2 PHE 24 HE2 PHE 24 -7.562 10.170 -2.869 137 HZ PHE 24 HZ PHE 24 -9.726 9.384 -3.743 138 H CYS 25 H CYS 25 -7.332 4.930 -0.618 139 HA CYS 25 HA CYS 25 -4.691 5.399 -1.551 140 HB2 CYS 25 1HB CYS 25 -5.852 3.227 -1.792 141 HB3 CYS 25 2HB CYS 25 -6.971 3.968 -2.933 142 H THR 26 H THR 26 -4.009 6.283 -3.542 143 HA THR 26 HA THR 26 -5.725 8.464 -4.472 144 HB THR 26 HB THR 26 -3.668 9.332 -5.567 145 HG1 THR 26 HG1 THR 26 -1.701 8.163 -4.558 146 HG21 THR 26 3HG2 THR 26 -2.377 9.603 -3.294 147 HG22 THR 26 1HG2 THR 26 -3.814 8.829 -2.628 148 HG23 THR 26 2HG2 THR 26 -3.961 10.344 -3.519 149 H THR 27 H THR 27 -4.360 5.458 -5.499 150 HA THR 27 HA THR 27 -4.702 5.931 -8.316 151 HB THR 27 HB THR 27 -4.210 3.349 -6.819 152 HG1 THR 27 HG1 THR 27 -2.125 4.053 -8.249 153 HG21 THR 27 3HG2 THR 27 -3.900 3.918 -9.768 154 HG22 THR 27 1HG2 THR 27 -5.265 3.056 -9.059 155 HG23 THR 27 2HG2 THR 27 -3.641 2.378 -8.949 156 H CYS 28 H CYS 28 -6.136 3.392 -6.266 157 HA CYS 28 HA CYS 28 -8.438 3.247 -8.008 158 HB2 CYS 28 1HB CYS 28 -9.112 1.353 -6.667 159 HB3 CYS 28 2HB CYS 28 -7.393 1.214 -7.019 160 H GLY 29 H GLY 29 -7.788 4.133 -4.630 161 HA2 GLY 29 1HA GLY 29 -8.887 5.881 -3.486 162 HA3 GLY 29 2HA GLY 29 -10.178 5.818 -4.676 163 H GLN 30 H GLN 30 -8.723 3.355 -2.553 164 HA GLN 30 HA GLN 30 -11.440 2.716 -1.619 165 HB2 GLN 30 1HB GLN 30 -8.988 1.040 -2.035 166 HB3 GLN 30 2HB GLN 30 -10.225 0.523 -0.896 167 HG2 GLN 30 1HG GLN 30 -10.798 1.188 -3.770 168 HG3 GLN 30 2HG GLN 30 -10.402 -0.434 -3.204 169 HE21 GLN 30 1HE2 GLN 30 -11.756 -0.853 -1.025 170 HE22 GLN 30 2HE2 GLN 30 -13.457 -0.644 -1.246 171 H HIS 31 H HIS 31 -11.537 1.828 0.635 172 HA HIS 31 HA HIS 31 -9.735 3.369 2.383 173 HB2 HIS 31 1HB HIS 31 -12.569 2.473 2.948 174 HB3 HIS 31 2HB HIS 31 -11.560 3.456 4.005 175 HD1 HIS 31 HD1 HIS 31 -14.373 4.253 2.655 176 HD2 HIS 31 HD2 HIS 31 -10.586 5.526 1.513 177 HE1 HIS 31 HE1 HIS 31 -14.732 6.425 1.439 178 HE2 HIS 31 HE2 HIS 31 -12.436 7.133 0.683 179 H TYR 32 H TYR 32 -8.635 2.347 3.961 180 HA TYR 32 HA TYR 32 -9.311 -0.443 4.570 181 HB2 TYR 32 1HB TYR 32 -6.590 0.598 3.772 182 HB3 TYR 32 2HB TYR 32 -6.839 -0.958 4.555 183 HD1 TYR 32 HD2 TYR 32 -7.488 0.993 1.491 184 HD2 TYR 32 HD1 TYR 32 -7.648 -2.839 3.332 185 HE1 TYR 32 HE2 TYR 32 -7.899 -0.038 -0.704 186 HE2 TYR 32 HE1 TYR 32 -8.059 -3.881 1.142 187 HH TYR 32 HH TYR 32 -9.086 -2.315 -1.475 188 H HIS 33 H HIS 33 -9.459 -0.760 6.683 189 HA HIS 33 HA HIS 33 -8.888 1.257 8.573 190 HB2 HIS 33 1HB HIS 33 -9.563 -1.669 8.851 191 HB3 HIS 33 2HB HIS 33 -9.292 -0.631 10.248 192 HD2 HIS 33 HD2 HIS 33 -11.032 1.960 8.957 193 HE1 HIS 33 HE1 HIS 33 -14.225 -0.824 9.190 194 HE2 HIS 33 HE2 HIS 33 -13.592 1.594 8.882 195 H GLY 34 H GLY 34 -7.218 1.544 9.994 196 HA2 GLY 34 1HA GLY 34 -4.657 0.646 9.245 197 HA3 GLY 34 2HA GLY 34 -5.054 1.460 10.751 198 H MET 35 H MET 35 -7.065 -0.830 11.196 199 HA MET 35 HA MET 35 -5.139 -2.562 12.539 200 HB2 MET 35 1HB MET 35 -8.123 -2.212 12.785 201 HB3 MET 35 2HB MET 35 -7.262 -3.521 13.583 202 HG2 MET 35 1HG MET 35 -6.653 -0.603 13.978 203 HG3 MET 35 2HG MET 35 -7.698 -1.557 15.027 204 HE1 MET 35 3HE MET 35 -5.209 -4.175 16.517 205 HE2 MET 35 1HE MET 35 -6.843 -3.516 16.605 206 HE3 MET 35 2HE MET 35 -6.302 -4.337 15.141 207 H CYS 36 H CYS 36 -8.000 -2.893 10.439 208 HA CYS 36 HA CYS 36 -7.982 -5.611 10.041 209 HB2 CYS 36 1HB CYS 36 -8.716 -3.343 8.202 210 HB3 CYS 36 2HB CYS 36 -8.896 -5.023 7.706 211 H LEU 37 H LEU 37 -5.792 -3.228 8.776 212 HA LEU 37 HA LEU 37 -4.556 -5.197 6.994 213 HB2 LEU 37 1HB LEU 37 -4.538 -2.237 7.196 214 HB3 LEU 37 2HB LEU 37 -3.094 -3.018 6.554 215 HG LEU 37 HG LEU 37 -5.885 -3.225 5.425 216 HD11 LEU 37 1HD1 LEU 37 -4.956 -1.983 3.541 217 HD12 LEU 37 2HD1 LEU 37 -3.412 -1.850 4.383 218 HD13 LEU 37 3HD1 LEU 37 -4.844 -1.055 5.037 219 HD21 LEU 37 3HD2 LEU 37 -3.297 -4.560 4.701 220 HD22 LEU 37 1HD2 LEU 37 -4.574 -4.310 3.511 221 HD23 LEU 37 2HD2 LEU 37 -4.887 -5.284 4.948 222 H ASP 38 H ASP 38 -4.116 -3.621 10.021 223 HA ASP 38 HA ASP 38 -2.591 -3.972 11.682 224 HB2 ASP 38 1HB ASP 38 -1.041 -5.843 9.913 225 HB3 ASP 38 2HB ASP 38 -1.211 -5.867 11.666 226 H ILE 39 H ILE 39 -2.321 -1.833 9.905 227 HA ILE 39 HA ILE 39 0.580 -1.613 9.495 228 HB ILE 39 HB ILE 39 -1.604 0.178 8.427 229 HG12 ILE 39 1HG1 ILE 39 0.040 -1.816 6.871 230 HG13 ILE 39 2HG1 ILE 39 -1.529 -2.222 7.559 231 HG21 ILE 39 1HG2 ILE 39 0.315 1.486 8.488 232 HG22 ILE 39 2HG2 ILE 39 1.372 0.127 8.109 233 HG23 ILE 39 3HG2 ILE 39 0.340 0.818 6.856 234 HD11 ILE 39 3HD1 ILE 39 -1.592 -1.590 5.164 235 HD12 ILE 39 1HD1 ILE 39 -2.617 -0.593 6.195 236 HD13 ILE 39 2HD1 ILE 39 -1.070 0.031 5.622 237 H ALA 40 H ALA 40 1.767 0.030 10.406 238 HA ALA 40 HA ALA 40 0.691 1.181 12.816 239 HB1 ALA 40 3HB ALA 40 3.213 2.298 12.318 240 HB2 ALA 40 1HB ALA 40 2.818 0.968 13.407 241 HB3 ALA 40 2HB ALA 40 3.294 0.633 11.742 242 H VAL 41 H VAL 41 -0.652 2.864 12.606 243 HA VAL 41 HA VAL 41 -0.731 4.681 10.486 244 HB VAL 41 HB VAL 41 -1.656 5.123 13.329 245 HG11 VAL 41 1HG1 VAL 41 -1.710 7.238 12.399 246 HG12 VAL 41 2HG1 VAL 41 -2.073 6.633 10.782 247 HG13 VAL 41 3HG1 VAL 41 -3.324 6.633 12.026 248 HG21 VAL 41 3HG2 VAL 41 -2.661 3.135 12.384 249 HG22 VAL 41 1HG2 VAL 41 -3.860 4.426 12.461 250 HG23 VAL 41 2HG2 VAL 41 -3.103 4.017 10.922 251 H THR 42 H THR 42 1.083 5.754 9.925 252 HA THR 42 HA THR 42 2.411 7.362 12.009 253 HB THR 42 HB THR 42 4.417 7.345 10.510 254 HG1 THR 42 HG1 THR 42 3.747 6.750 8.534 255 HG21 THR 42 3HG2 THR 42 4.079 4.489 10.920 256 HG22 THR 42 1HG2 THR 42 3.546 5.429 12.313 257 HG23 THR 42 2HG2 THR 42 5.189 5.615 11.700 258 HA PRO 43 HA PRO 43 1.336 11.036 9.855 259 HB2 PRO 43 1HB PRO 43 3.475 12.610 10.417 260 HB3 PRO 43 2HB PRO 43 2.249 12.191 11.619 261 HG2 PRO 43 1HG PRO 43 4.955 10.989 11.176 262 HG3 PRO 43 2HG PRO 43 4.156 11.417 12.700 263 HD2 PRO 43 1HD PRO 43 4.248 8.877 11.767 264 HD3 PRO 43 2HD PRO 43 2.883 9.496 12.719 265 H LEU 44 H LEU 44 3.677 8.991 8.776 266 HA LEU 44 HA LEU 44 4.643 10.752 6.647 267 HB2 LEU 44 1HB LEU 44 6.124 9.167 8.034 268 HB3 LEU 44 2HB LEU 44 5.435 7.886 7.039 269 HG LEU 44 HG LEU 44 7.556 8.467 6.124 270 HD11 LEU 44 1HD1 LEU 44 6.946 8.687 3.938 271 HD12 LEU 44 2HD1 LEU 44 5.783 9.969 4.272 272 HD13 LEU 44 3HD1 LEU 44 5.379 8.293 4.644 273 HD21 LEU 44 3HD2 LEU 44 7.987 10.805 5.325 274 HD22 LEU 44 1HD2 LEU 44 7.948 10.612 7.077 275 HD23 LEU 44 2HD2 LEU 44 6.563 11.309 6.237 276 H LYS 45 H LYS 45 2.765 7.819 7.166 277 HA LYS 45 HA LYS 45 2.384 7.300 4.369 278 HB2 LYS 45 1HB LYS 45 1.049 6.202 6.846 279 HB3 LYS 45 2HB LYS 45 0.661 5.664 5.217 280 HG2 LYS 45 1HG LYS 45 2.684 4.603 4.938 281 HG3 LYS 45 2HG LYS 45 3.493 5.597 6.152 282 HD2 LYS 45 1HD LYS 45 1.807 4.439 7.787 283 HD3 LYS 45 2HD LYS 45 1.720 3.220 6.513 284 HE2 LYS 45 1HE LYS 45 4.336 3.365 6.630 285 HE3 LYS 45 2HE LYS 45 4.021 4.007 8.241 286 HZ1 LYS 45 3HZ LYS 45 2.419 1.787 8.019 287 HZ2 LYS 45 1HZ LYS 45 3.854 1.913 8.907 288 HZ3 LYS 45 2HZ LYS 45 3.889 1.321 7.323 289 H ARG 46 H ARG 46 0.281 8.494 6.985 290 HA ARG 46 HA ARG 46 -2.087 8.877 5.800 291 HB2 ARG 46 1HB ARG 46 -0.558 10.766 7.577 292 HB3 ARG 46 2HB ARG 46 -2.198 11.122 7.050 293 HG2 ARG 46 1HG ARG 46 -2.981 9.052 8.087 294 HG3 ARG 46 2HG ARG 46 -1.336 8.702 8.620 295 HD2 ARG 46 1HD ARG 46 -2.537 9.661 10.457 296 HD3 ARG 46 2HD ARG 46 -1.357 10.841 9.887 297 HE ARG 46 HE ARG 46 -4.242 11.045 9.745 298 HH11 ARG 46 2HH1 ARG 46 -1.169 12.248 8.637 299 HH12 ARG 46 1HH1 ARG 46 -1.801 13.782 8.139 300 HH21 ARG 46 2HH2 ARG 46 -5.087 13.062 9.094 301 HH22 ARG 46 1HH2 ARG 46 -4.030 14.245 8.400 302 H ALA 47 H ALA 47 0.790 10.825 5.195 303 HA ALA 47 HA ALA 47 -0.656 12.406 3.202 304 HB1 ALA 47 3HB ALA 47 1.575 12.896 4.939 305 HB2 ALA 47 1HB ALA 47 2.030 13.208 3.264 306 HB3 ALA 47 2HB ALA 47 0.641 14.035 3.970 307 H GLY 48 H GLY 48 -0.920 10.835 1.581 308 HA2 GLY 48 1HA GLY 48 -0.148 10.258 -0.584 309 HA3 GLY 48 2HA GLY 48 1.505 10.397 -0.004 310 H TRP 49 H TRP 49 -1.268 8.541 1.227 311 HA TRP 49 HA TRP 49 0.423 6.203 1.487 312 HB2 TRP 49 1HB TRP 49 -1.139 6.750 3.288 313 HB3 TRP 49 2HB TRP 49 -2.494 6.624 2.170 314 HD1 TRP 49 HD1 TRP 49 0.217 4.377 3.772 315 HE1 TRP 49 HE1 TRP 49 -0.713 1.981 3.911 316 HE3 TRP 49 HE3 TRP 49 -4.212 5.083 1.318 317 HZ2 TRP 49 HZ2 TRP 49 -3.018 0.576 3.088 318 HZ3 TRP 49 HZ3 TRP 49 -5.722 3.161 1.035 319 HH2 TRP 49 HH2 TRP 49 -5.136 0.955 1.902 320 H GLN 50 H GLN 50 -0.011 4.173 0.532 321 HA GLN 50 HA GLN 50 -1.813 4.214 -1.787 322 HB2 GLN 50 1HB GLN 50 1.111 3.690 -1.731 323 HB3 GLN 50 2HB GLN 50 0.134 2.667 -2.776 324 HG2 GLN 50 1HG GLN 50 -0.840 4.973 -3.573 325 HG3 GLN 50 2HG GLN 50 0.697 5.578 -2.956 326 HE21 GLN 50 1HE2 GLN 50 -0.892 3.850 -5.449 327 HE22 GLN 50 2HE2 GLN 50 0.492 3.566 -6.444 328 H CYS 51 H CYS 51 -3.111 2.500 -1.899 329 HA CYS 51 HA CYS 51 -3.092 0.512 0.117 330 HB2 CYS 51 1HB CYS 51 -5.094 -0.205 -0.776 331 HB3 CYS 51 2HB CYS 51 -5.041 1.442 -1.394 332 HA PRO 52 HA PRO 52 -0.524 -2.647 -1.520 333 HB2 PRO 52 1HB PRO 52 -1.844 -4.888 -0.740 334 HB3 PRO 52 2HB PRO 52 -0.970 -3.845 0.389 335 HG2 PRO 52 1HG PRO 52 -3.901 -3.954 -0.206 336 HG3 PRO 52 2HG PRO 52 -3.082 -3.813 1.360 337 HD2 PRO 52 1HD PRO 52 -4.169 -1.684 0.087 338 HD3 PRO 52 2HD PRO 52 -2.725 -1.549 1.111 339 H GLU 53 H GLU 53 -3.754 -2.292 -2.589 340 HA GLU 53 HA GLU 53 -3.559 -4.385 -4.600 341 HB2 GLU 53 1HB GLU 53 -5.743 -2.387 -3.989 342 HB3 GLU 53 2HB GLU 53 -5.845 -3.619 -5.239 343 HG2 GLU 53 1HG GLU 53 -5.442 -5.314 -3.396 344 HG3 GLU 53 2HG GLU 53 -5.738 -3.994 -2.265 345 H CYS 54 H CYS 54 -2.558 -1.229 -4.288 346 HA CYS 54 HA CYS 54 -2.514 -0.875 -7.212 347 HB2 CYS 54 1HB CYS 54 -2.992 1.191 -5.065 348 HB3 CYS 54 2HB CYS 54 -2.525 1.620 -6.707 349 H LYS 55 H LYS 55 -0.974 0.227 -4.192 350 HA LYS 55 HA LYS 55 1.286 1.391 -4.897 351 HB2 LYS 55 1HB LYS 55 2.334 0.584 -2.968 352 HB3 LYS 55 2HB LYS 55 0.621 0.436 -2.599 353 HG2 LYS 55 1HG LYS 55 0.652 -1.903 -2.945 354 HG3 LYS 55 2HG LYS 55 2.259 -1.842 -3.674 355 HD2 LYS 55 1HD LYS 55 3.002 -0.877 -1.395 356 HD3 LYS 55 2HD LYS 55 1.475 -1.528 -0.797 357 HE2 LYS 55 1HE LYS 55 3.800 -3.006 -1.997 358 HE3 LYS 55 2HE LYS 55 3.082 -3.206 -0.400 359 HZ1 LYS 55 3HZ LYS 55 1.793 -3.904 -2.983 360 HZ2 LYS 55 1HZ LYS 55 1.082 -4.074 -1.457 361 HZ3 LYS 55 2HZ LYS 55 2.436 -5.000 -1.867 362 H VAL 56 H VAL 56 3.288 0.952 -5.775 363 HA VAL 56 HA VAL 56 3.860 -1.744 -6.727 364 HB VAL 56 HB VAL 56 4.267 -1.083 -9.006 365 HG11 VAL 56 1HG1 VAL 56 2.083 -1.013 -9.737 366 HG12 VAL 56 2HG1 VAL 56 1.879 -1.584 -8.080 367 HG13 VAL 56 3HG1 VAL 56 1.583 0.110 -8.474 368 HG21 VAL 56 3HG2 VAL 56 4.101 1.594 -7.881 369 HG22 VAL 56 1HG2 VAL 56 4.882 1.034 -9.360 370 HG23 VAL 56 2HG2 VAL 56 3.160 1.419 -9.362 371 H CYS 57 H CYS 57 6.067 -1.645 -7.983 372 HA CYS 57 HA CYS 57 8.013 -0.775 -6.141 373 HB2 CYS 57 1HB CYS 57 8.283 -2.675 -7.746 374 HB3 CYS 57 2HB CYS 57 8.443 -1.498 -9.046 375 H GLN 58 H GLN 58 9.685 0.796 -6.417 376 HA GLN 58 HA GLN 58 8.787 3.129 -7.964 377 HB2 GLN 58 1HB GLN 58 10.630 2.992 -5.572 378 HB3 GLN 58 2HB GLN 58 10.166 4.464 -6.414 379 HG2 GLN 58 1HG GLN 58 8.277 2.610 -4.981 380 HG3 GLN 58 2HG GLN 58 8.908 4.126 -4.340 381 HE21 GLN 58 1HE2 GLN 58 6.269 2.807 -5.626 382 HE22 GLN 58 2HE2 GLN 58 5.575 4.177 -6.416 383 H ASN 59 H ASN 59 11.263 0.783 -7.680 384 HA ASN 59 HA ASN 59 13.272 2.344 -9.058 385 HB2 ASN 59 1HB ASN 59 13.131 -0.436 -7.948 386 HB3 ASN 59 2HB ASN 59 14.391 -0.031 -9.111 387 HD21 ASN 59 1HD2 ASN 59 13.027 0.786 -5.983 388 HD22 ASN 59 2HD2 ASN 59 14.463 1.495 -5.334 389 H CYS 60 H CYS 60 11.255 -0.495 -9.773 390 HA CYS 60 HA CYS 60 11.926 -0.192 -12.618 391 HB2 CYS 60 1HB CYS 60 11.319 -2.463 -12.929 392 HB3 CYS 60 2HB CYS 60 12.260 -2.422 -11.441 393 H LYS 61 H LYS 61 9.300 -0.156 -10.321 394 HA LYS 61 HA LYS 61 7.146 0.563 -10.474 395 HB2 LYS 61 1HB LYS 61 8.021 1.616 -13.171 396 HB3 LYS 61 2HB LYS 61 6.527 2.040 -12.346 397 HG2 LYS 61 1HG LYS 61 9.107 2.483 -10.935 398 HG3 LYS 61 2HG LYS 61 8.639 3.590 -12.227 399 HD2 LYS 61 1HD LYS 61 6.650 2.906 -10.112 400 HD3 LYS 61 2HD LYS 61 7.939 4.052 -9.737 401 HE2 LYS 61 1HE LYS 61 7.264 5.332 -11.786 402 HE3 LYS 61 2HE LYS 61 5.868 4.263 -11.916 403 HZ1 LYS 61 3HZ LYS 61 5.336 6.337 -10.772 404 HZ2 LYS 61 1HZ LYS 61 6.486 5.992 -9.581 405 HZ3 LYS 61 2HZ LYS 61 5.124 5.003 -9.754 406 H GLN 62 H GLN 62 7.526 -2.067 -11.004 407 HA GLN 62 HA GLN 62 5.505 -2.578 -13.076 408 HB2 GLN 62 1HB GLN 62 8.091 -4.068 -12.640 409 HB3 GLN 62 2HB GLN 62 6.748 -4.737 -13.556 410 HG2 GLN 62 1HG GLN 62 6.888 -2.918 -15.147 411 HG3 GLN 62 2HG GLN 62 8.180 -2.172 -14.208 412 HE21 GLN 62 1HE2 GLN 62 7.548 -3.998 -16.846 413 HE22 GLN 62 2HE2 GLN 62 9.067 -4.801 -17.023 414 H SER 63 H SER 63 3.773 -3.228 -11.978 415 HA SER 63 HA SER 63 3.964 -4.578 -9.454 416 HB2 SER 63 1HB SER 63 1.600 -4.436 -9.368 417 HB3 SER 63 2HB SER 63 2.117 -2.964 -10.189 418 HG SER 63 HG SER 63 0.321 -4.276 -11.140 419 H GLY 64 H GLY 64 4.316 -6.675 -9.197 420 HA2 GLY 64 1HA GLY 64 2.873 -8.675 -10.596 421 HA3 GLY 64 2HA GLY 64 4.502 -8.548 -11.243 422 H GLU 65 H GLU 65 6.208 -8.393 -9.355 423 HA GLU 65 HA GLU 65 5.913 -10.853 -7.879 424 HB2 GLU 65 1HB GLU 65 8.187 -8.859 -7.887 425 HB3 GLU 65 2HB GLU 65 8.236 -10.476 -7.198 426 HG2 GLU 65 1HG GLU 65 9.230 -10.895 -9.189 427 HG3 GLU 65 2HG GLU 65 7.550 -11.160 -9.652 428 H ASP 66 H ASP 66 4.480 -10.632 -6.229 429 HA ASP 66 HA ASP 66 4.529 -8.339 -4.481 430 HB2 ASP 66 1HB ASP 66 2.824 -9.785 -3.189 431 HB3 ASP 66 2HB ASP 66 2.371 -9.201 -4.788 432 H SER 67 H SER 67 5.155 -11.825 -4.088 433 HA SER 67 HA SER 67 5.953 -11.806 -1.438 434 HB2 SER 67 1HB SER 67 7.289 -13.856 -2.037 435 HB3 SER 67 2HB SER 67 5.608 -13.900 -2.567 436 HG SER 67 HG SER 67 6.351 -14.175 -4.501 437 H LYS 68 H LYS 68 7.927 -11.311 -4.345 438 HA LYS 68 HA LYS 68 10.275 -10.727 -2.739 439 HB2 LYS 68 1HB LYS 68 9.921 -10.592 -5.738 440 HB3 LYS 68 2HB LYS 68 11.446 -10.535 -4.865 441 HG2 LYS 68 1HG LYS 68 11.261 -12.799 -4.205 442 HG3 LYS 68 2HG LYS 68 9.577 -12.884 -4.729 443 HD2 LYS 68 1HD LYS 68 10.527 -12.297 -7.065 444 HD3 LYS 68 2HD LYS 68 12.073 -12.810 -6.385 445 HE2 LYS 68 1HE LYS 68 11.280 -14.764 -7.332 446 HE3 LYS 68 2HE LYS 68 10.762 -14.925 -5.655 447 HZ1 LYS 68 3HZ LYS 68 9.092 -15.398 -7.541 448 HZ2 LYS 68 1HZ LYS 68 8.958 -13.714 -7.643 449 HZ3 LYS 68 2HZ LYS 68 8.576 -14.507 -6.199 450 H MET 69 H MET 69 8.305 -8.943 -2.133 451 HA MET 69 HA MET 69 9.382 -6.458 -3.272 452 HB2 MET 69 1HB MET 69 7.213 -6.859 -4.321 453 HB3 MET 69 2HB MET 69 6.463 -7.042 -2.741 454 HG2 MET 69 1HG MET 69 5.903 -4.892 -3.125 455 HG3 MET 69 2HG MET 69 7.488 -4.617 -2.408 456 HE1 MET 69 3HE MET 69 5.646 -2.697 -4.725 457 HE2 MET 69 1HE MET 69 6.041 -3.219 -6.363 458 HE3 MET 69 2HE MET 69 5.176 -4.306 -5.277 459 H LEU 70 H LEU 70 10.576 -5.831 -1.546 460 HA LEU 70 HA LEU 70 9.770 -6.149 1.155 461 HB2 LEU 70 1HB LEU 70 11.917 -4.594 -0.230 462 HB3 LEU 70 2HB LEU 70 11.618 -4.358 1.490 463 HG LEU 70 HG LEU 70 12.202 -7.070 0.332 464 HD11 LEU 70 1HD1 LEU 70 14.211 -6.223 -0.227 465 HD12 LEU 70 2HD1 LEU 70 14.526 -6.367 1.502 466 HD13 LEU 70 3HD1 LEU 70 14.032 -4.816 0.822 467 HD21 LEU 70 3HD2 LEU 70 11.896 -7.734 2.425 468 HD22 LEU 70 1HD2 LEU 70 11.502 -6.082 2.899 469 HD23 LEU 70 2HD2 LEU 70 13.173 -6.643 2.965 470 H VAL 71 H VAL 71 7.834 -5.228 1.644 471 HA VAL 71 HA VAL 71 7.137 -2.571 0.806 472 HB VAL 71 HB VAL 71 5.811 -4.374 2.835 473 HG11 VAL 71 1HG1 VAL 71 4.225 -2.821 3.175 474 HG12 VAL 71 2HG1 VAL 71 5.453 -1.689 2.604 475 HG13 VAL 71 3HG1 VAL 71 4.231 -2.302 1.490 476 HG21 VAL 71 3HG2 VAL 71 4.143 -4.653 0.946 477 HG22 VAL 71 1HG2 VAL 71 5.364 -3.937 -0.106 478 HG23 VAL 71 2HG2 VAL 71 5.702 -5.450 0.735 479 H CYS 72 H CYS 72 8.341 -0.962 1.635 480 HA CYS 72 HA CYS 72 9.693 -0.843 4.015 481 HB2 CYS 72 1HB CYS 72 9.631 0.842 2.058 482 HB3 CYS 72 2HB CYS 72 8.289 1.584 2.922 483 H ASP 73 H ASP 73 9.250 0.346 6.001 484 HA ASP 73 HA ASP 73 6.496 -0.117 6.895 485 HB2 ASP 73 1HB ASP 73 7.878 -1.220 8.390 486 HB3 ASP 73 2HB ASP 73 9.148 -0.005 8.274 487 H THR 74 H THR 74 9.018 2.359 6.833 488 HA THR 74 HA THR 74 7.525 4.349 8.191 489 HB THR 74 HB THR 74 9.874 4.593 6.306 490 HG1 THR 74 HG1 THR 74 10.577 3.664 8.158 491 HG21 THR 74 3HG2 THR 74 8.554 6.676 6.360 492 HG22 THR 74 1HG2 THR 74 10.132 6.870 7.121 493 HG23 THR 74 2HG2 THR 74 8.688 6.699 8.118 494 H CYS 75 H CYS 75 8.517 4.396 4.766 495 HA CYS 75 HA CYS 75 6.377 6.184 4.088 496 HB2 CYS 75 1HB CYS 75 7.287 6.175 1.874 497 HB3 CYS 75 2HB CYS 75 8.643 6.193 2.997 498 H ASP 76 H ASP 76 7.039 2.752 3.700 499 HA ASP 76 HA ASP 76 5.731 0.996 3.083 500 HB2 ASP 76 1HB ASP 76 4.265 1.992 4.866 501 HB3 ASP 76 2HB ASP 76 3.395 2.846 3.594 502 H LYS 77 H LYS 77 6.774 2.110 0.955 503 HA LYS 77 HA LYS 77 4.640 2.739 -0.946 504 HB2 LYS 77 1HB LYS 77 7.608 3.108 -0.923 505 HB3 LYS 77 2HB LYS 77 6.770 3.037 -2.467 506 HG2 LYS 77 1HG LYS 77 5.307 4.886 -1.698 507 HG3 LYS 77 2HG LYS 77 6.293 5.002 -0.238 508 HD2 LYS 77 1HD LYS 77 8.260 5.493 -1.593 509 HD3 LYS 77 2HD LYS 77 7.298 5.337 -3.065 510 HE2 LYS 77 1HE LYS 77 6.417 7.258 -0.965 511 HE3 LYS 77 2HE LYS 77 7.783 7.692 -1.992 512 HZ1 LYS 77 3HZ LYS 77 6.393 7.355 -3.933 513 HZ2 LYS 77 1HZ LYS 77 5.688 8.493 -2.898 514 HZ3 LYS 77 2HZ LYS 77 5.083 6.915 -2.956 515 H GLY 78 H GLY 78 7.664 0.873 -1.249 516 HA2 GLY 78 1HA GLY 78 7.111 -1.647 -1.515 517 HA3 GLY 78 2HA GLY 78 6.193 -1.067 -2.896 518 H TYR 79 H TYR 79 9.005 -2.474 -2.063 519 HA TYR 79 HA TYR 79 10.263 -1.671 -4.565 520 HB2 TYR 79 1HB TYR 79 11.823 -1.640 -1.977 521 HB3 TYR 79 2HB TYR 79 12.401 -1.182 -3.576 522 HD1 TYR 79 HD1 TYR 79 9.953 -0.226 -0.943 523 HD2 TYR 79 HD2 TYR 79 12.245 1.038 -4.298 524 HE1 TYR 79 HE1 TYR 79 9.301 2.105 -0.503 525 HE2 TYR 79 HE2 TYR 79 11.601 3.372 -3.866 526 HH TYR 79 HH TYR 79 10.778 4.766 -2.142 527 H HIS 80 H HIS 80 11.071 -3.377 -5.604 528 HA HIS 80 HA HIS 80 10.908 -5.982 -4.430 529 HB2 HIS 80 1HB HIS 80 12.049 -5.103 -7.091 530 HB3 HIS 80 2HB HIS 80 11.741 -6.771 -6.618 531 HD2 HIS 80 HD2 HIS 80 8.723 -6.684 -5.619 532 HE1 HIS 80 HE1 HIS 80 7.866 -4.608 -9.219 533 HE2 HIS 80 HE2 HIS 80 6.899 -5.853 -7.254 534 H THR 81 H THR 81 12.501 -7.288 -3.688 535 HA THR 81 HA THR 81 14.832 -6.236 -2.628 536 HB THR 81 HB THR 81 15.637 -8.636 -2.515 537 HG1 THR 81 HG1 THR 81 13.513 -8.900 -4.243 538 HG21 THR 81 3HG2 THR 81 13.142 -7.543 -1.365 539 HG22 THR 81 1HG2 THR 81 14.587 -8.157 -0.562 540 HG23 THR 81 2HG2 THR 81 13.383 -9.281 -1.194 541 H PHE 82 H PHE 82 14.321 -7.853 -5.731 542 HA PHE 82 HA PHE 82 17.108 -7.730 -6.444 543 HB2 PHE 82 1HB PHE 82 16.392 -8.654 -8.589 544 HB3 PHE 82 2HB PHE 82 15.658 -9.549 -7.262 545 HD1 PHE 82 HD2 PHE 82 15.040 -7.098 -9.933 546 HD2 PHE 82 HD1 PHE 82 13.303 -9.586 -6.949 547 HE1 PHE 82 HE2 PHE 82 12.816 -6.713 -10.912 548 HE2 PHE 82 HE1 PHE 82 11.076 -9.205 -7.923 549 HZ PHE 82 HZ PHE 82 10.830 -7.766 -9.906 550 H CYS 83 H CYS 83 15.018 -5.348 -6.062 551 HA CYS 83 HA CYS 83 15.845 -3.874 -8.473 552 HB2 CYS 83 1HB CYS 83 13.412 -3.748 -6.743 553 HB3 CYS 83 2HB CYS 83 13.945 -2.279 -7.554 554 H LEU 84 H LEU 84 16.695 -4.290 -5.342 555 HA LEU 84 HA LEU 84 17.250 -1.491 -4.753 556 HB2 LEU 84 1HB LEU 84 17.763 -4.001 -3.166 557 HB3 LEU 84 2HB LEU 84 18.108 -2.366 -2.606 558 HG LEU 84 HG LEU 84 15.334 -3.260 -3.352 559 HD11 LEU 84 1HD1 LEU 84 15.967 -4.760 -1.628 560 HD12 LEU 84 2HD1 LEU 84 14.998 -3.496 -0.873 561 HD13 LEU 84 3HD1 LEU 84 16.753 -3.477 -0.707 562 HD21 LEU 84 3HD2 LEU 84 15.833 -0.832 -3.235 563 HD22 LEU 84 1HD2 LEU 84 16.309 -1.047 -1.551 564 HD23 LEU 84 2HD2 LEU 84 14.645 -1.364 -2.044 565 H GLN 85 H GLN 85 19.385 -0.754 -4.224 566 HA GLN 85 HA GLN 85 21.536 -2.349 -5.449 567 HB2 GLN 85 1HB GLN 85 21.037 -0.608 -7.010 568 HB3 GLN 85 2HB GLN 85 20.992 0.604 -5.737 569 HG2 GLN 85 1HG GLN 85 23.040 1.014 -6.659 570 HG3 GLN 85 2HG GLN 85 23.474 -0.106 -5.369 571 HE21 GLN 85 1HE2 GLN 85 23.878 0.597 -8.562 572 HE22 GLN 85 2HE2 GLN 85 24.409 -0.947 -9.129 573 HA PRO 86 HA PRO 86 22.942 -3.479 -4.920 574 HB2 PRO 86 1HB PRO 86 23.448 -5.304 -2.975 575 HB3 PRO 86 2HB PRO 86 24.692 -4.238 -3.639 576 HG2 PRO 86 1HG PRO 86 23.124 -3.968 -1.103 577 HG3 PRO 86 2HG PRO 86 24.853 -3.692 -1.385 578 HD2 PRO 86 1HD PRO 86 23.059 -1.669 -1.245 579 HD3 PRO 86 2HD PRO 86 24.502 -1.596 -2.276 580 H VAL 87 H VAL 87 21.989 -5.829 -4.602 581 HA VAL 87 HA VAL 87 19.159 -5.449 -3.955 582 HB VAL 87 HB VAL 87 19.041 -6.418 -5.987 583 HG11 VAL 87 1HG1 VAL 87 20.817 -7.926 -6.909 584 HG12 VAL 87 2HG1 VAL 87 21.367 -6.299 -6.502 585 HG13 VAL 87 3HG1 VAL 87 21.732 -7.650 -5.427 586 HG21 VAL 87 3HG2 VAL 87 18.169 -8.103 -4.360 587 HG22 VAL 87 1HG2 VAL 87 18.685 -8.781 -5.904 588 HG23 VAL 87 2HG2 VAL 87 19.716 -8.941 -4.481 589 H MET 88 H MET 88 18.034 -6.771 -2.554 590 HA MET 88 HA MET 88 19.606 -8.005 -0.477 591 HB2 MET 88 1HB MET 88 16.666 -7.516 -0.875 592 HB3 MET 88 2HB MET 88 17.250 -8.522 0.444 593 HG2 MET 88 1HG MET 88 18.404 -5.804 0.082 594 HG3 MET 88 2HG MET 88 16.798 -5.971 0.787 595 HE1 MET 88 3HE MET 88 16.761 -7.017 3.849 596 HE2 MET 88 1HE MET 88 17.708 -5.543 4.055 597 HE3 MET 88 2HE MET 88 16.506 -5.645 2.769 598 H LYS 89 H LYS 89 20.561 -9.810 -1.411 599 HA LYS 89 HA LYS 89 19.619 -11.710 -3.067 600 HB2 LYS 89 1HB LYS 89 21.419 -11.835 -0.701 601 HB3 LYS 89 2HB LYS 89 20.874 -13.362 -1.383 602 HG2 LYS 89 1HG LYS 89 22.042 -13.077 -3.319 603 HG3 LYS 89 2HG LYS 89 21.968 -11.315 -3.235 604 HD2 LYS 89 1HD LYS 89 23.472 -11.693 -1.104 605 HD3 LYS 89 2HD LYS 89 23.859 -13.208 -1.923 606 HE2 LYS 89 1HE LYS 89 24.771 -12.099 -3.777 607 HE3 LYS 89 2HE LYS 89 24.016 -10.567 -3.341 608 HZ1 LYS 89 3HZ LYS 89 26.476 -11.764 -2.365 609 HZ2 LYS 89 1HZ LYS 89 25.528 -10.984 -1.202 610 HZ3 LYS 89 2HZ LYS 89 26.068 -10.135 -2.561 611 H SER 90 H SER 90 18.800 -11.404 0.351 612 HA SER 90 HA SER 90 16.582 -13.283 -0.092 613 HB2 SER 90 1HB SER 90 18.464 -13.230 2.275 614 HB3 SER 90 2HB SER 90 16.937 -14.111 2.259 615 HG SER 90 HG SER 90 18.622 -15.485 1.661 616 H VAL 91 H VAL 91 15.025 -13.142 1.888 617 HA VAL 91 HA VAL 91 14.509 -10.283 2.337 618 HB VAL 91 HB VAL 91 12.609 -12.624 2.549 619 HG11 VAL 91 1HG1 VAL 91 12.194 -9.659 2.874 620 HG12 VAL 91 2HG1 VAL 91 10.878 -10.809 2.631 621 HG13 VAL 91 3HG1 VAL 91 11.902 -10.928 4.063 622 HG21 VAL 91 3HG2 VAL 91 12.813 -12.438 0.288 623 HG22 VAL 91 1HG2 VAL 91 11.606 -11.180 0.556 624 HG23 VAL 91 2HG2 VAL 91 13.304 -10.746 0.358 625 HA PRO 92 HA PRO 92 15.612 -10.893 6.591 626 HB2 PRO 92 1HB PRO 92 14.798 -8.459 7.476 627 HB3 PRO 92 2HB PRO 92 16.291 -8.698 6.560 628 HG2 PRO 92 1HG PRO 92 13.617 -7.748 5.608 629 HG3 PRO 92 2HG PRO 92 15.230 -7.134 5.205 630 HD2 PRO 92 1HD PRO 92 13.844 -8.777 3.559 631 HD3 PRO 92 2HD PRO 92 15.617 -8.800 3.660 632 H THR 93 H THR 93 14.407 -10.159 8.764 633 HA THR 93 HA THR 93 11.804 -11.474 8.641 634 HB THR 93 HB THR 93 13.429 -10.668 11.062 635 HG1 THR 93 HG1 THR 93 13.405 -12.934 9.425 636 HG21 THR 93 3HG2 THR 93 10.743 -11.756 10.717 637 HG22 THR 93 1HG2 THR 93 11.494 -11.029 12.137 638 HG23 THR 93 2HG2 THR 93 11.758 -12.735 11.775 639 H ASN 94 H ASN 94 13.217 -8.559 10.136 640 HA ASN 94 HA ASN 94 11.019 -6.921 9.397 641 HB2 ASN 94 1HB ASN 94 10.171 -6.450 11.681 642 HB3 ASN 94 2HB ASN 94 9.863 -8.108 11.174 643 HD21 ASN 94 1HD2 ASN 94 10.078 -9.445 12.803 644 HD22 ASN 94 2HD2 ASN 94 11.288 -9.371 14.034 645 H GLY 95 H GLY 95 11.418 -4.736 9.758 646 HA2 GLY 95 1HA GLY 95 12.588 -2.943 10.841 647 HA3 GLY 95 2HA GLY 95 13.885 -4.068 11.218 648 H TRP 96 H TRP 96 12.199 -3.182 8.205 649 HA TRP 96 HA TRP 96 14.845 -2.722 6.996 650 HB2 TRP 96 1HB TRP 96 13.458 -4.586 6.039 651 HB3 TRP 96 2HB TRP 96 12.270 -3.380 5.555 652 HD1 TRP 96 HD1 TRP 96 15.851 -4.527 4.756 653 HE1 TRP 96 HE1 TRP 96 16.477 -3.660 2.415 654 HE3 TRP 96 HE3 TRP 96 11.746 -1.621 3.843 655 HZ2 TRP 96 HZ2 TRP 96 15.376 -1.968 0.442 656 HZ3 TRP 96 HZ3 TRP 96 11.610 -0.411 1.705 657 HH2 TRP 96 HH2 TRP 96 13.389 -0.582 0.041 658 H LYS 97 H LYS 97 15.110 -0.957 5.563 659 HA LYS 97 HA LYS 97 12.992 1.054 5.507 660 HB2 LYS 97 1HB LYS 97 14.675 1.357 7.484 661 HB3 LYS 97 2HB LYS 97 15.766 1.932 6.231 662 HG2 LYS 97 1HG LYS 97 14.410 3.769 5.730 663 HG3 LYS 97 2HG LYS 97 13.015 3.076 6.560 664 HD2 LYS 97 1HD LYS 97 13.809 3.636 8.645 665 HD3 LYS 97 2HD LYS 97 15.495 3.631 8.122 666 HE2 LYS 97 1HE LYS 97 15.164 5.880 8.320 667 HE3 LYS 97 2HE LYS 97 14.669 5.659 6.643 668 HZ1 LYS 97 3HZ LYS 97 12.349 5.420 7.517 669 HZ2 LYS 97 1HZ LYS 97 13.021 6.964 7.682 670 HZ3 LYS 97 2HZ LYS 97 12.924 5.936 9.022 671 H CYS 98 H CYS 98 12.799 1.866 3.529 672 HA CYS 98 HA CYS 98 14.635 1.171 1.460 673 HB2 CYS 98 1HB CYS 98 13.109 2.158 -0.031 674 HB3 CYS 98 2HB CYS 98 12.097 1.535 1.269 675 H LYS 99 H LYS 99 15.777 2.649 0.078 676 HA LYS 99 HA LYS 99 17.504 4.363 1.346 677 HB2 LYS 99 1HB LYS 99 17.970 3.571 -0.878 678 HB3 LYS 99 2HB LYS 99 16.555 4.395 -1.521 679 HG2 LYS 99 1HG LYS 99 18.696 5.984 -0.186 680 HG3 LYS 99 2HG LYS 99 18.929 5.411 -1.839 681 HD2 LYS 99 1HD LYS 99 16.584 6.431 -2.261 682 HD3 LYS 99 2HD LYS 99 16.886 7.323 -0.768 683 HE2 LYS 99 1HE LYS 99 17.571 8.676 -2.633 684 HE3 LYS 99 2HE LYS 99 19.006 8.153 -1.753 685 HZ1 LYS 99 3HZ LYS 99 18.530 7.860 -4.441 686 HZ2 LYS 99 1HZ LYS 99 18.322 6.306 -3.804 687 HZ3 LYS 99 2HZ LYS 99 19.774 7.136 -3.552 688 H ASN 100 H ASN 100 14.704 5.378 -0.623 689 HA ASN 100 HA ASN 100 14.782 8.075 -0.233 690 HB2 ASN 100 1HB ASN 100 12.304 6.336 -0.243 691 HB3 ASN 100 2HB ASN 100 12.326 8.075 -0.518 692 HD21 ASN 100 1HD2 ASN 100 11.569 8.054 -2.575 693 HD22 ASN 100 2HD2 ASN 100 12.430 7.371 -3.908 694 H CYS 101 H CYS 101 14.147 5.658 2.125 695 HA CYS 101 HA CYS 101 13.037 7.590 4.018 696 HB2 CYS 101 1HB CYS 101 13.174 4.615 3.872 697 HB3 CYS 101 2HB CYS 101 13.100 5.357 5.467 698 H ARG 102 H ARG 102 15.804 5.406 3.649 699 HA ARG 102 HA ARG 102 17.070 5.843 6.071 700 HB2 ARG 102 1HB ARG 102 18.924 4.837 5.144 701 HB3 ARG 102 2HB ARG 102 17.671 4.300 4.033 702 HG2 ARG 102 1HG ARG 102 18.328 5.854 2.385 703 HG3 ARG 102 2HG ARG 102 19.348 6.738 3.522 704 HD2 ARG 102 1HD ARG 102 19.928 3.860 3.051 705 HD3 ARG 102 2HD ARG 102 20.357 5.012 1.787 706 HE ARG 102 HE ARG 102 21.443 6.161 3.936 707 HH11 ARG 102 2HH1 ARG 102 21.530 2.867 2.812 708 HH12 ARG 102 1HH1 ARG 102 23.093 2.541 3.486 709 HH21 ARG 102 2HH2 ARG 102 23.501 5.744 4.828 710 HH22 ARG 102 1HH2 ARG 102 24.212 4.178 4.633 711 H ILE 103 H ILE 103 16.637 7.998 3.435 712 HA ILE 103 HA ILE 103 18.738 9.704 3.439 713 HB ILE 103 HB ILE 103 15.838 10.548 3.498 714 HG12 ILE 103 1HG1 ILE 103 16.222 8.946 1.730 715 HG13 ILE 103 2HG1 ILE 103 16.088 10.549 1.014 716 HG21 ILE 103 1HG2 ILE 103 18.166 12.116 3.545 717 HG22 ILE 103 2HG2 ILE 103 17.544 12.203 1.898 718 HG23 ILE 103 3HG2 ILE 103 16.511 12.650 3.255 719 HD11 ILE 103 3HD1 ILE 103 17.862 9.427 -0.075 720 HD12 ILE 103 1HD1 ILE 103 18.588 10.637 0.982 721 HD13 ILE 103 2HD1 ILE 103 18.583 8.939 1.459 722 H CYS 104 H CYS 104 19.641 11.213 4.736 723 HA CYS 104 HA CYS 104 18.383 11.659 7.363 724 HB2 CYS 104 1HB CYS 104 20.499 10.232 7.324 725 HB3 CYS 104 2HB CYS 104 21.357 11.697 6.861 726 HG CYS 104 HG CYS 104 21.021 10.683 9.798 727 H ILE 105 H ILE 105 19.860 13.036 4.572 728 HA ILE 105 HA ILE 105 19.914 15.694 5.820 729 HB ILE 105 HB ILE 105 21.988 15.130 4.734 730 HG12 ILE 105 1HG1 ILE 105 20.675 16.972 2.763 731 HG13 ILE 105 2HG1 ILE 105 20.824 17.455 4.449 732 HG21 ILE 105 1HG2 ILE 105 21.927 13.673 3.052 733 HG22 ILE 105 2HG2 ILE 105 20.225 14.002 2.736 734 HG23 ILE 105 3HG2 ILE 105 21.469 15.022 2.013 735 HD11 ILE 105 3HD1 ILE 105 22.889 17.174 2.362 736 HD12 ILE 105 1HD1 ILE 105 22.749 18.339 3.679 737 HD13 ILE 105 2HD1 ILE 105 23.343 16.709 4.001 738 H SER 106 H SER 106 17.597 15.883 5.761 739 HA SER 106 HA SER 106 16.637 16.723 3.114 740 HB2 SER 106 1HB SER 106 15.746 14.446 3.704 741 HB3 SER 106 2HB SER 106 14.942 15.182 5.091 742 HG SER 106 HG SER 106 13.720 16.426 3.687 743 H GLY 107 H GLY 107 17.643 18.533 4.830 744 HA2 GLY 107 1HA GLY 107 15.354 19.687 6.272 745 HA3 GLY 107 2HA GLY 107 17.040 20.121 6.516 746 HA PRO 108 HA PRO 108 14.735 22.788 3.214 747 HB2 PRO 108 1HB PRO 108 13.497 24.650 4.754 748 HB3 PRO 108 2HB PRO 108 12.705 23.162 4.222 749 HG2 PRO 108 1HG PRO 108 13.980 23.791 6.856 750 HG3 PRO 108 2HG PRO 108 12.453 22.954 6.525 751 HD2 PRO 108 1HD PRO 108 14.732 21.632 7.146 752 HD3 PRO 108 2HD PRO 108 13.503 20.956 6.059 753 H SER 109 H SER 109 17.050 22.914 5.504 754 HA SER 109 HA SER 109 17.904 25.289 6.212 755 HB2 SER 109 1HB SER 109 20.177 24.661 5.816 756 HB3 SER 109 2HB SER 109 19.292 23.170 6.137 757 HG SER 109 HG SER 109 19.337 22.681 3.986 758 H SER 110 H SER 110 17.812 27.257 5.381 759 HA SER 110 HA SER 110 18.179 27.582 2.475 760 HB2 SER 110 1HB SER 110 15.925 28.196 3.177 761 HB3 SER 110 2HB SER 110 16.578 29.283 4.403 762 HG SER 110 HG SER 110 15.967 29.926 1.980 763 H GLY 111 H GLY 111 18.810 30.014 2.012 764 HA2 GLY 111 1HA GLY 111 21.268 30.464 3.550 765 HA3 GLY 111 2HA GLY 111 20.932 31.085 1.941 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -35.264 7.670 4.421 2 HA2 GLY 1 1HA GLY 1 -34.322 7.298 7.192 3 HA3 GLY 1 2HA GLY 1 -35.558 6.245 6.518 4 H SER 2 H SER 2 -32.323 6.533 7.126 5 HA SER 2 HA SER 2 -30.414 5.566 6.285 6 HB2 SER 2 1HB SER 2 -30.589 3.134 6.152 7 HB3 SER 2 2HB SER 2 -31.554 3.733 7.501 8 HG SER 2 HG SER 2 -32.896 3.542 5.099 9 H SER 3 H SER 3 -31.639 7.073 4.298 10 HA SER 3 HA SER 3 -32.033 5.623 1.890 11 HB2 SER 3 1HB SER 3 -31.823 7.862 0.799 12 HB3 SER 3 2HB SER 3 -32.980 7.838 2.129 13 HG SER 3 HG SER 3 -31.849 9.402 2.934 14 H GLY 4 H GLY 4 -29.287 7.544 3.102 15 HA2 GLY 4 1HA GLY 4 -27.594 6.955 0.897 16 HA3 GLY 4 2HA GLY 4 -27.084 7.609 2.446 17 H SER 5 H SER 5 -27.187 4.862 0.438 18 HA SER 5 HA SER 5 -26.749 2.895 2.476 19 HB2 SER 5 1HB SER 5 -26.290 1.370 0.608 20 HB3 SER 5 2HB SER 5 -27.755 2.303 0.305 21 HG SER 5 HG SER 5 -25.172 2.815 -0.757 22 H SER 6 H SER 6 -24.804 1.692 2.806 23 HA SER 6 HA SER 6 -22.544 3.197 3.289 24 HB2 SER 6 1HB SER 6 -23.024 0.256 2.988 25 HB3 SER 6 2HB SER 6 -21.369 0.845 3.150 26 HG SER 6 HG SER 6 -21.726 1.153 5.191 27 H GLY 7 H GLY 7 -20.818 3.859 2.145 28 HA2 GLY 7 1HA GLY 7 -20.809 3.236 -0.725 29 HA3 GLY 7 2HA GLY 7 -20.022 4.614 0.029 30 H ALA 8 H ALA 8 -17.890 4.493 -0.037 31 HA ALA 8 HA ALA 8 -16.527 2.034 -0.569 32 HB1 ALA 8 3HB ALA 8 -14.475 3.557 -0.155 33 HB2 ALA 8 1HB ALA 8 -15.500 3.859 -1.559 34 HB3 ALA 8 2HB ALA 8 -15.661 4.862 -0.116 35 H ASN 9 H ASN 9 -16.629 0.574 1.063 36 HA ASN 9 HA ASN 9 -15.819 1.450 3.750 37 HB2 ASN 9 1HB ASN 9 -17.413 -0.923 2.788 38 HB3 ASN 9 2HB ASN 9 -16.758 -0.835 4.420 39 HD21 ASN 9 1HD2 ASN 9 -18.097 -0.089 5.882 40 HD22 ASN 9 2HD2 ASN 9 -19.411 0.998 5.606 41 H CYS 10 H CYS 10 -14.615 -0.297 5.011 42 HA CYS 10 HA CYS 10 -12.112 -0.712 3.932 43 HB2 CYS 10 1HB CYS 10 -12.797 -0.892 6.364 44 HB3 CYS 10 2HB CYS 10 -13.365 -2.519 6.001 45 H ALA 11 H ALA 11 -11.083 -2.352 2.862 46 HA ALA 11 HA ALA 11 -12.817 -4.241 1.474 47 HB1 ALA 11 3HB ALA 11 -11.201 -4.390 -0.158 48 HB2 ALA 11 1HB ALA 11 -10.958 -2.742 0.421 49 HB3 ALA 11 2HB ALA 11 -9.884 -4.034 0.960 50 H VAL 12 H VAL 12 -11.356 -4.284 4.342 51 HA VAL 12 HA VAL 12 -10.485 -7.091 4.125 52 HB VAL 12 HB VAL 12 -9.750 -5.032 6.211 53 HG11 VAL 12 1HG1 VAL 12 -8.230 -6.742 7.085 54 HG12 VAL 12 2HG1 VAL 12 -9.913 -7.263 7.180 55 HG13 VAL 12 3HG1 VAL 12 -8.861 -7.900 5.915 56 HG21 VAL 12 3HG2 VAL 12 -8.749 -5.140 3.737 57 HG22 VAL 12 1HG2 VAL 12 -7.773 -4.711 5.142 58 HG23 VAL 12 2HG2 VAL 12 -7.723 -6.354 4.502 59 H CYS 13 H CYS 13 -12.036 -4.848 6.425 60 HA CYS 13 HA CYS 13 -13.402 -7.111 7.675 61 HB2 CYS 13 1HB CYS 13 -13.954 -5.592 9.470 62 HB3 CYS 13 2HB CYS 13 -12.240 -5.430 9.101 63 H ASP 14 H ASP 14 -14.006 -4.308 5.702 64 HA ASP 14 HA ASP 14 -15.827 -3.742 4.444 65 HB2 ASP 14 1HB ASP 14 -16.134 -6.302 4.375 66 HB3 ASP 14 2HB ASP 14 -17.359 -6.053 5.616 67 H SER 15 H SER 15 -15.401 -2.436 6.781 68 HA SER 15 HA SER 15 -18.140 -1.856 7.657 69 HB2 SER 15 1HB SER 15 -15.777 -2.487 9.403 70 HB3 SER 15 2HB SER 15 -17.057 -1.424 9.987 71 HG SER 15 HG SER 15 -17.817 -3.840 8.823 72 HA PRO 16 HA PRO 16 -17.004 2.320 6.875 73 HB2 PRO 16 1HB PRO 16 -18.811 3.581 8.461 74 HB3 PRO 16 2HB PRO 16 -19.252 2.789 6.943 75 HG2 PRO 16 1HG PRO 16 -19.511 1.782 9.750 76 HG3 PRO 16 2HG PRO 16 -20.667 1.671 8.410 77 HD2 PRO 16 1HD PRO 16 -19.077 -0.397 9.138 78 HD3 PRO 16 2HD PRO 16 -19.583 -0.126 7.457 79 H GLY 17 H GLY 17 -17.575 1.524 10.306 80 HA2 GLY 17 1HA GLY 17 -16.663 2.517 12.206 81 HA3 GLY 17 2HA GLY 17 -15.193 1.956 11.423 82 H ASP 18 H ASP 18 -13.687 3.427 10.997 83 HA ASP 18 HA ASP 18 -14.482 6.263 11.038 84 HB2 ASP 18 1HB ASP 18 -12.030 4.839 12.012 85 HB3 ASP 18 2HB ASP 18 -11.930 6.535 11.549 86 H LEU 19 H LEU 19 -13.715 7.655 9.473 87 HA LEU 19 HA LEU 19 -12.804 6.366 7.022 88 HB2 LEU 19 1HB LEU 19 -13.925 9.075 7.663 89 HB3 LEU 19 2HB LEU 19 -13.182 8.729 6.102 90 HG LEU 19 HG LEU 19 -15.618 8.587 5.998 91 HD11 LEU 19 1HD1 LEU 19 -15.782 6.418 4.936 92 HD12 LEU 19 2HD1 LEU 19 -14.308 5.884 5.742 93 HD13 LEU 19 3HD1 LEU 19 -14.237 7.171 4.539 94 HD21 LEU 19 3HD2 LEU 19 -15.587 6.142 7.705 95 HD22 LEU 19 1HD2 LEU 19 -16.918 7.235 7.324 96 HD23 LEU 19 2HD2 LEU 19 -15.673 7.729 8.471 97 H LEU 20 H LEU 20 -11.880 9.118 9.083 98 HA LEU 20 HA LEU 20 -9.483 9.696 7.698 99 HB2 LEU 20 1HB LEU 20 -10.512 10.365 10.434 100 HB3 LEU 20 2HB LEU 20 -8.894 10.841 9.923 101 HG LEU 20 HG LEU 20 -11.309 11.620 8.324 102 HD11 LEU 20 1HD1 LEU 20 -11.988 12.579 10.291 103 HD12 LEU 20 2HD1 LEU 20 -10.947 13.850 9.652 104 HD13 LEU 20 3HD1 LEU 20 -10.343 12.761 10.900 105 HD21 LEU 20 3HD2 LEU 20 -8.460 12.120 8.260 106 HD22 LEU 20 1HD2 LEU 20 -9.386 13.620 8.324 107 HD23 LEU 20 2HD2 LEU 20 -9.692 12.449 7.041 108 H ASP 21 H ASP 21 -10.239 7.620 10.439 109 HA ASP 21 HA ASP 21 -7.702 7.048 11.375 110 HB2 ASP 21 1HB ASP 21 -10.167 5.318 11.190 111 HB3 ASP 21 2HB ASP 21 -8.695 4.788 12.001 112 H GLN 22 H GLN 22 -9.485 5.441 8.754 113 HA GLN 22 HA GLN 22 -7.174 3.815 8.092 114 HB2 GLN 22 1HB GLN 22 -8.665 2.906 6.307 115 HB3 GLN 22 2HB GLN 22 -9.310 2.733 7.933 116 HG2 GLN 22 1HG GLN 22 -10.736 4.690 7.565 117 HG3 GLN 22 2HG GLN 22 -10.105 4.830 5.926 118 HE21 GLN 22 1HE2 GLN 22 -12.819 4.528 6.557 119 HE22 GLN 22 2HE2 GLN 22 -13.356 3.010 5.930 120 H PHE 23 H PHE 23 -6.231 3.787 5.965 121 HA PHE 23 HA PHE 23 -5.818 6.454 4.947 122 HB2 PHE 23 1HB PHE 23 -4.671 3.812 4.020 123 HB3 PHE 23 2HB PHE 23 -4.127 5.405 3.503 124 HD1 PHE 23 HD2 PHE 23 -4.495 3.251 6.503 125 HD2 PHE 23 HD1 PHE 23 -2.476 6.529 4.689 126 HE1 PHE 23 HE2 PHE 23 -2.917 3.318 8.390 127 HE2 PHE 23 HE1 PHE 23 -0.894 6.601 6.573 128 HZ PHE 23 HZ PHE 23 -1.114 4.995 8.427 129 H PHE 24 H PHE 24 -5.682 6.681 2.471 130 HA PHE 24 HA PHE 24 -7.907 5.287 1.159 131 HB2 PHE 24 1HB PHE 24 -8.952 7.306 1.808 132 HB3 PHE 24 2HB PHE 24 -7.530 8.265 1.407 133 HD1 PHE 24 HD2 PHE 24 -6.981 8.749 -0.936 134 HD2 PHE 24 HD1 PHE 24 -10.552 6.704 0.151 135 HE1 PHE 24 HE2 PHE 24 -7.919 9.210 -3.163 136 HE2 PHE 24 HE1 PHE 24 -11.495 7.160 -2.075 137 HZ PHE 24 HZ PHE 24 -10.179 8.416 -3.735 138 H CYS 25 H CYS 25 -7.197 4.387 -0.647 139 HA CYS 25 HA CYS 25 -4.672 5.002 -1.788 140 HB2 CYS 25 1HB CYS 25 -5.740 2.755 -1.878 141 HB3 CYS 25 2HB CYS 25 -6.934 3.401 -2.998 142 H THR 26 H THR 26 -4.221 5.817 -3.892 143 HA THR 26 HA THR 26 -6.162 7.845 -4.749 144 HB THR 26 HB THR 26 -4.283 8.923 -5.911 145 HG1 THR 26 HG1 THR 26 -3.031 7.031 -6.308 146 HG21 THR 26 3HG2 THR 26 -4.728 8.842 -3.189 147 HG22 THR 26 1HG2 THR 26 -3.715 10.009 -4.036 148 HG23 THR 26 2HG2 THR 26 -2.992 8.567 -3.324 149 H THR 27 H THR 27 -4.521 4.973 -5.782 150 HA THR 27 HA THR 27 -5.024 5.324 -8.585 151 HB THR 27 HB THR 27 -4.265 2.838 -7.039 152 HG1 THR 27 HG1 THR 27 -2.205 3.415 -8.237 153 HG21 THR 27 3HG2 THR 27 -5.080 3.209 -9.780 154 HG22 THR 27 1HG2 THR 27 -4.696 1.719 -8.920 155 HG23 THR 27 2HG2 THR 27 -3.412 2.644 -9.697 156 H CYS 28 H CYS 28 -6.238 2.869 -6.293 157 HA CYS 28 HA CYS 28 -8.560 2.438 -7.987 158 HB2 CYS 28 1HB CYS 28 -9.027 0.536 -6.586 159 HB3 CYS 28 2HB CYS 28 -7.308 0.531 -6.964 160 H GLY 29 H GLY 29 -7.858 3.464 -4.658 161 HA2 GLY 29 1HA GLY 29 -9.058 5.229 -3.596 162 HA3 GLY 29 2HA GLY 29 -10.424 4.892 -4.649 163 H GLN 30 H GLN 30 -8.596 2.494 -2.828 164 HA GLN 30 HA GLN 30 -11.071 1.698 -1.501 165 HB2 GLN 30 1HB GLN 30 -8.442 0.376 -2.029 166 HB3 GLN 30 2HB GLN 30 -9.438 -0.206 -0.702 167 HG2 GLN 30 1HG GLN 30 -10.767 0.151 -3.317 168 HG3 GLN 30 2HG GLN 30 -9.607 -1.169 -3.176 169 HE21 GLN 30 1HE2 GLN 30 -12.284 0.269 -1.340 170 HE22 GLN 30 2HE2 GLN 30 -12.988 -1.234 -0.863 171 H HIS 31 H HIS 31 -10.849 0.941 0.814 172 HA HIS 31 HA HIS 31 -9.118 2.789 2.323 173 HB2 HIS 31 1HB HIS 31 -11.864 1.872 3.187 174 HB3 HIS 31 2HB HIS 31 -10.860 3.102 3.948 175 HD1 HIS 31 HD1 HIS 31 -13.766 3.642 2.932 176 HD2 HIS 31 HD2 HIS 31 -10.291 4.511 0.827 177 HE1 HIS 31 HE1 HIS 31 -14.397 5.461 1.314 178 HE2 HIS 31 HE2 HIS 31 -12.301 5.910 -0.007 179 H TYR 32 H TYR 32 -8.364 2.059 4.365 180 HA TYR 32 HA TYR 32 -8.843 -0.665 5.182 181 HB2 TYR 32 1HB TYR 32 -6.086 0.147 4.234 182 HB3 TYR 32 2HB TYR 32 -6.496 -1.378 5.011 183 HD1 TYR 32 HD2 TYR 32 -6.951 0.643 1.955 184 HD2 TYR 32 HD1 TYR 32 -7.473 -3.167 3.777 185 HE1 TYR 32 HE2 TYR 32 -7.461 -0.333 -0.244 186 HE2 TYR 32 HE1 TYR 32 -7.982 -4.154 1.583 187 HH TYR 32 HH TYR 32 -7.384 -3.524 -0.901 188 H HIS 33 H HIS 33 -8.856 -0.682 7.324 189 HA HIS 33 HA HIS 33 -7.969 1.572 8.837 190 HB2 HIS 33 1HB HIS 33 -8.838 -1.135 9.867 191 HB3 HIS 33 2HB HIS 33 -8.797 0.376 10.771 192 HD2 HIS 33 HD2 HIS 33 -10.634 2.375 9.389 193 HE1 HIS 33 HE1 HIS 33 -13.338 -0.773 8.504 194 HE2 HIS 33 HE2 HIS 33 -13.006 1.722 8.590 195 H GLY 34 H GLY 34 -6.289 1.713 10.327 196 HA2 GLY 34 1HA GLY 34 -3.864 0.519 9.640 197 HA3 GLY 34 2HA GLY 34 -4.186 1.334 11.164 198 H MET 35 H MET 35 -6.440 -0.748 11.512 199 HA MET 35 HA MET 35 -4.744 -2.679 12.881 200 HB2 MET 35 1HB MET 35 -7.700 -2.097 12.966 201 HB3 MET 35 2HB MET 35 -6.992 -3.489 13.775 202 HG2 MET 35 1HG MET 35 -6.034 -0.695 14.285 203 HG3 MET 35 2HG MET 35 -7.390 -1.400 15.162 204 HE1 MET 35 3HE MET 35 -3.763 -1.522 14.208 205 HE2 MET 35 1HE MET 35 -3.694 -0.680 15.756 206 HE3 MET 35 2HE MET 35 -2.955 -2.272 15.585 207 H CYS 36 H CYS 36 -7.295 -2.611 10.423 208 HA CYS 36 HA CYS 36 -7.485 -5.377 10.005 209 HB2 CYS 36 1HB CYS 36 -8.133 -2.963 8.350 210 HB3 CYS 36 2HB CYS 36 -8.229 -4.566 7.627 211 H LEU 37 H LEU 37 -5.124 -3.059 8.987 212 HA LEU 37 HA LEU 37 -3.855 -5.089 7.273 213 HB2 LEU 37 1HB LEU 37 -3.991 -2.124 7.152 214 HB3 LEU 37 2HB LEU 37 -2.519 -2.906 6.580 215 HG LEU 37 HG LEU 37 -5.295 -3.449 5.528 216 HD11 LEU 37 1HD1 LEU 37 -3.163 -2.124 3.934 217 HD12 LEU 37 2HD1 LEU 37 -4.063 -1.160 5.104 218 HD13 LEU 37 3HD1 LEU 37 -4.918 -1.996 3.808 219 HD21 LEU 37 3HD2 LEU 37 -3.143 -4.208 3.800 220 HD22 LEU 37 1HD2 LEU 37 -4.431 -5.203 4.480 221 HD23 LEU 37 2HD2 LEU 37 -2.931 -4.967 5.378 222 H ASP 38 H ASP 38 -3.702 -3.798 10.289 223 HA ASP 38 HA ASP 38 -2.139 -3.765 11.943 224 HB2 ASP 38 1HB ASP 38 -0.654 -5.639 10.088 225 HB3 ASP 38 2HB ASP 38 -0.309 -5.401 11.799 226 H ILE 39 H ILE 39 -2.045 -1.625 10.180 227 HA ILE 39 HA ILE 39 0.822 -1.137 9.763 228 HB ILE 39 HB ILE 39 -1.587 0.328 8.683 229 HG12 ILE 39 1HG1 ILE 39 0.508 -1.406 7.357 230 HG13 ILE 39 2HG1 ILE 39 -1.187 -1.817 7.595 231 HG21 ILE 39 1HG2 ILE 39 1.264 1.057 8.817 232 HG22 ILE 39 2HG2 ILE 39 0.484 1.287 7.253 233 HG23 ILE 39 3HG2 ILE 39 -0.167 2.080 8.688 234 HD11 ILE 39 3HD1 ILE 39 -1.554 -1.012 5.568 235 HD12 ILE 39 1HD1 ILE 39 -1.241 0.594 6.226 236 HD13 ILE 39 2HD1 ILE 39 0.067 -0.322 5.477 237 H ALA 40 H ALA 40 1.865 0.591 10.688 238 HA ALA 40 HA ALA 40 0.645 1.663 13.084 239 HB1 ALA 40 3HB ALA 40 2.972 2.802 13.233 240 HB2 ALA 40 1HB ALA 40 2.841 1.060 13.481 241 HB3 ALA 40 2HB ALA 40 3.404 1.691 11.933 242 H VAL 41 H VAL 41 -0.851 3.194 12.583 243 HA VAL 41 HA VAL 41 -0.838 5.027 10.530 244 HB VAL 41 HB VAL 41 -1.913 5.465 13.320 245 HG11 VAL 41 1HG1 VAL 41 -1.970 7.576 12.373 246 HG12 VAL 41 2HG1 VAL 41 -2.253 6.952 10.747 247 HG13 VAL 41 3HG1 VAL 41 -3.552 6.929 11.940 248 HG21 VAL 41 3HG2 VAL 41 -4.060 4.723 12.310 249 HG22 VAL 41 1HG2 VAL 41 -3.175 4.283 10.849 250 HG23 VAL 41 2HG2 VAL 41 -2.834 3.457 12.370 251 H THR 42 H THR 42 0.626 6.492 9.987 252 HA THR 42 HA THR 42 1.929 8.044 12.125 253 HB THR 42 HB THR 42 4.010 8.083 10.886 254 HG1 THR 42 HG1 THR 42 2.422 7.151 8.879 255 HG21 THR 42 3HG2 THR 42 3.584 5.197 10.706 256 HG22 THR 42 1HG2 THR 42 3.017 5.897 12.221 257 HG23 THR 42 2HG2 THR 42 4.694 6.115 11.722 258 HA PRO 43 HA PRO 43 0.656 11.644 9.951 259 HB2 PRO 43 1HB PRO 43 2.636 13.370 10.640 260 HB3 PRO 43 2HB PRO 43 1.384 12.843 11.771 261 HG2 PRO 43 1HG PRO 43 4.194 11.858 11.461 262 HG3 PRO 43 2HG PRO 43 3.287 12.204 12.945 263 HD2 PRO 43 1HD PRO 43 3.622 9.690 11.996 264 HD3 PRO 43 2HD PRO 43 2.166 10.191 12.880 265 H LEU 44 H LEU 44 3.443 9.936 9.136 266 HA LEU 44 HA LEU 44 4.081 11.718 6.892 267 HB2 LEU 44 1HB LEU 44 6.000 11.145 8.178 268 HB3 LEU 44 2HB LEU 44 5.577 9.435 8.158 269 HG LEU 44 HG LEU 44 5.871 9.828 5.527 270 HD11 LEU 44 1HD1 LEU 44 7.781 11.282 5.112 271 HD12 LEU 44 2HD1 LEU 44 7.786 11.776 6.804 272 HD13 LEU 44 3HD1 LEU 44 6.422 12.195 5.768 273 HD21 LEU 44 3HD2 LEU 44 8.042 8.829 5.733 274 HD22 LEU 44 1HD2 LEU 44 6.999 8.164 6.991 275 HD23 LEU 44 2HD2 LEU 44 8.196 9.394 7.397 276 H LYS 45 H LYS 45 3.479 8.284 7.604 277 HA LYS 45 HA LYS 45 3.440 7.351 4.977 278 HB2 LYS 45 1HB LYS 45 3.368 6.051 7.215 279 HB3 LYS 45 2HB LYS 45 1.624 6.245 7.101 280 HG2 LYS 45 1HG LYS 45 1.783 5.184 4.814 281 HG3 LYS 45 2HG LYS 45 3.450 4.773 5.225 282 HD2 LYS 45 1HD LYS 45 1.043 3.981 6.862 283 HD3 LYS 45 2HD LYS 45 1.824 2.942 5.667 284 HE2 LYS 45 1HE LYS 45 2.828 2.248 7.624 285 HE3 LYS 45 2HE LYS 45 3.978 3.448 7.036 286 HZ1 LYS 45 3HZ LYS 45 2.111 4.800 8.585 287 HZ2 LYS 45 1HZ LYS 45 3.738 4.510 8.947 288 HZ3 LYS 45 2HZ LYS 45 2.550 3.422 9.463 289 H ARG 46 H ARG 46 0.864 8.752 6.948 290 HA ARG 46 HA ARG 46 -1.372 8.254 5.482 291 HB2 ARG 46 1HB ARG 46 -0.499 10.715 6.965 292 HB3 ARG 46 2HB ARG 46 -2.049 10.673 6.135 293 HG2 ARG 46 1HG ARG 46 -2.643 8.662 7.464 294 HG3 ARG 46 2HG ARG 46 -1.139 8.867 8.363 295 HD2 ARG 46 1HD ARG 46 -3.433 10.817 8.204 296 HD3 ARG 46 2HD ARG 46 -2.967 9.847 9.601 297 HE ARG 46 HE ARG 46 -1.187 11.289 9.989 298 HH11 ARG 46 2HH1 ARG 46 -2.846 12.114 7.041 299 HH12 ARG 46 1HH1 ARG 46 -2.085 13.664 6.894 300 HH21 ARG 46 2HH2 ARG 46 -0.179 13.327 9.806 301 HH22 ARG 46 1HH2 ARG 46 -0.568 14.352 8.466 302 H ALA 47 H ALA 47 0.953 10.875 4.869 303 HA ALA 47 HA ALA 47 -0.370 11.817 2.533 304 HB1 ALA 47 3HB ALA 47 0.937 13.497 3.267 305 HB2 ALA 47 1HB ALA 47 2.138 12.405 3.957 306 HB3 ALA 47 2HB ALA 47 2.146 12.744 2.226 307 H GLY 48 H GLY 48 -0.097 11.310 0.419 308 HA2 GLY 48 1HA GLY 48 0.451 10.026 -1.405 309 HA3 GLY 48 2HA GLY 48 2.090 10.090 -0.773 310 H TRP 49 H TRP 49 -0.890 8.516 0.381 311 HA TRP 49 HA TRP 49 0.638 6.077 0.847 312 HB2 TRP 49 1HB TRP 49 -0.863 6.947 2.619 313 HB3 TRP 49 2HB TRP 49 -2.237 6.714 1.543 314 HD1 TRP 49 HD1 TRP 49 0.460 4.625 3.365 315 HE1 TRP 49 HE1 TRP 49 -0.507 2.280 3.800 316 HE3 TRP 49 HE3 TRP 49 -3.993 5.114 0.903 317 HZ2 TRP 49 HZ2 TRP 49 -2.849 0.829 3.182 318 HZ3 TRP 49 HZ3 TRP 49 -5.540 3.201 0.871 319 HH2 TRP 49 HH2 TRP 49 -4.978 1.104 1.987 320 H GLN 50 H GLN 50 0.205 4.112 -0.110 321 HA GLN 50 HA GLN 50 -1.843 4.041 -2.207 322 HB2 GLN 50 1HB GLN 50 1.096 3.655 -2.531 323 HB3 GLN 50 2HB GLN 50 0.017 2.649 -3.488 324 HG2 GLN 50 1HG GLN 50 -1.108 4.925 -4.085 325 HG3 GLN 50 2HG GLN 50 0.443 5.595 -3.582 326 HE21 GLN 50 1HE2 GLN 50 -1.153 3.456 -5.844 327 HE22 GLN 50 2HE2 GLN 50 0.098 3.467 -7.035 328 H CYS 51 H CYS 51 -3.088 2.312 -1.989 329 HA CYS 51 HA CYS 51 -2.735 0.353 -0.045 330 HB2 CYS 51 1HB CYS 51 -4.705 -0.573 -0.808 331 HB3 CYS 51 2HB CYS 51 -4.832 1.051 -1.476 332 HA PRO 52 HA PRO 52 0.014 -2.636 -1.705 333 HB2 PRO 52 1HB PRO 52 -1.070 -4.952 -0.793 334 HB3 PRO 52 2HB PRO 52 -0.239 -3.801 0.259 335 HG2 PRO 52 1HG PRO 52 -3.174 -4.178 -0.190 336 HG3 PRO 52 2HG PRO 52 -2.300 -3.913 1.330 337 HD2 PRO 52 1HD PRO 52 -3.623 -1.930 0.046 338 HD3 PRO 52 2HD PRO 52 -2.151 -1.638 0.994 339 H GLU 53 H GLU 53 -3.287 -2.609 -2.616 340 HA GLU 53 HA GLU 53 -3.020 -4.752 -4.558 341 HB2 GLU 53 1HB GLU 53 -5.321 -2.855 -4.058 342 HB3 GLU 53 2HB GLU 53 -5.363 -4.272 -5.097 343 HG2 GLU 53 1HG GLU 53 -4.701 -5.570 -2.970 344 HG3 GLU 53 2HG GLU 53 -5.238 -4.125 -2.115 345 H CYS 54 H CYS 54 -2.326 -1.473 -4.412 346 HA CYS 54 HA CYS 54 -2.376 -1.270 -7.352 347 HB2 CYS 54 1HB CYS 54 -2.904 0.863 -5.281 348 HB3 CYS 54 2HB CYS 54 -2.562 1.232 -6.968 349 H LYS 55 H LYS 55 -0.788 -0.014 -4.424 350 HA LYS 55 HA LYS 55 1.349 1.307 -5.265 351 HB2 LYS 55 1HB LYS 55 2.511 0.658 -3.351 352 HB3 LYS 55 2HB LYS 55 0.834 0.359 -2.914 353 HG2 LYS 55 1HG LYS 55 1.084 -1.987 -3.268 354 HG3 LYS 55 2HG LYS 55 2.692 -1.762 -3.963 355 HD2 LYS 55 1HD LYS 55 3.365 -0.768 -1.730 356 HD3 LYS 55 2HD LYS 55 1.829 -1.372 -1.105 357 HE2 LYS 55 1HE LYS 55 4.144 -2.944 -2.203 358 HE3 LYS 55 2HE LYS 55 3.443 -3.019 -0.588 359 HZ1 LYS 55 3HZ LYS 55 2.061 -3.855 -3.080 360 HZ2 LYS 55 1HZ LYS 55 1.456 -3.992 -1.506 361 HZ3 LYS 55 2HZ LYS 55 2.797 -4.908 -1.979 362 H VAL 56 H VAL 56 3.412 0.934 -6.105 363 HA VAL 56 HA VAL 56 4.048 -1.738 -7.088 364 HB VAL 56 HB VAL 56 4.481 -0.998 -9.356 365 HG11 VAL 56 1HG1 VAL 56 2.115 -1.667 -8.457 366 HG12 VAL 56 2HG1 VAL 56 1.720 0.008 -8.847 367 HG13 VAL 56 3HG1 VAL 56 2.310 -1.076 -10.107 368 HG21 VAL 56 3HG2 VAL 56 3.305 1.389 -9.794 369 HG22 VAL 56 1HG2 VAL 56 3.963 1.653 -8.180 370 HG23 VAL 56 2HG2 VAL 56 5.032 1.187 -9.502 371 H CYS 57 H CYS 57 6.270 -1.794 -8.069 372 HA CYS 57 HA CYS 57 8.163 -0.802 -6.287 373 HB2 CYS 57 1HB CYS 57 8.510 -2.737 -7.810 374 HB3 CYS 57 2HB CYS 57 8.635 -1.616 -9.162 375 H GLN 58 H GLN 58 9.462 0.969 -6.225 376 HA GLN 58 HA GLN 58 8.705 3.190 -7.951 377 HB2 GLN 58 1HB GLN 58 10.240 2.964 -5.379 378 HB3 GLN 58 2HB GLN 58 10.305 4.436 -6.339 379 HG2 GLN 58 1HG GLN 58 7.892 3.186 -5.058 380 HG3 GLN 58 2HG GLN 58 8.648 4.728 -4.665 381 HE21 GLN 58 1HE2 GLN 58 5.903 4.204 -5.391 382 HE22 GLN 58 2HE2 GLN 58 5.583 5.128 -6.815 383 H ASN 59 H ASN 59 11.164 0.861 -7.692 384 HA ASN 59 HA ASN 59 13.251 2.443 -8.898 385 HB2 ASN 59 1HB ASN 59 12.989 -0.486 -8.224 386 HB3 ASN 59 2HB ASN 59 14.386 0.158 -9.083 387 HD21 ASN 59 1HD2 ASN 59 13.008 -0.442 -6.087 388 HD22 ASN 59 2HD2 ASN 59 14.124 0.442 -5.109 389 H CYS 60 H CYS 60 11.280 -0.338 -9.941 390 HA CYS 60 HA CYS 60 11.990 0.265 -12.723 391 HB2 CYS 60 1HB CYS 60 11.218 -1.968 -13.258 392 HB3 CYS 60 2HB CYS 60 12.343 -2.054 -11.906 393 H LYS 61 H LYS 61 9.813 1.391 -10.741 394 HA LYS 61 HA LYS 61 7.612 2.035 -10.818 395 HB2 LYS 61 1HB LYS 61 8.592 2.508 -13.632 396 HB3 LYS 61 2HB LYS 61 7.024 3.069 -13.065 397 HG2 LYS 61 1HG LYS 61 9.587 3.804 -11.686 398 HG3 LYS 61 2HG LYS 61 8.924 4.741 -13.028 399 HD2 LYS 61 1HD LYS 61 6.781 4.894 -11.693 400 HD3 LYS 61 2HD LYS 61 7.686 4.232 -10.330 401 HE2 LYS 61 1HE LYS 61 7.924 6.476 -9.935 402 HE3 LYS 61 2HE LYS 61 9.358 6.172 -10.915 403 HZ1 LYS 61 3HZ LYS 61 8.554 7.926 -12.054 404 HZ2 LYS 61 1HZ LYS 61 6.955 7.678 -11.559 405 HZ3 LYS 61 2HZ LYS 61 7.606 6.749 -12.814 406 H GLN 62 H GLN 62 7.970 -0.797 -11.171 407 HA GLN 62 HA GLN 62 5.512 -1.365 -12.673 408 HB2 GLN 62 1HB GLN 62 8.137 -2.831 -12.861 409 HB3 GLN 62 2HB GLN 62 6.615 -3.576 -13.328 410 HG2 GLN 62 1HG GLN 62 6.434 -1.313 -14.737 411 HG3 GLN 62 2HG GLN 62 8.189 -1.468 -14.665 412 HE21 GLN 62 1HE2 GLN 62 5.639 -2.109 -16.531 413 HE22 GLN 62 2HE2 GLN 62 6.199 -3.514 -17.365 414 H SER 63 H SER 63 4.820 -3.743 -12.158 415 HA SER 63 HA SER 63 5.380 -4.421 -9.366 416 HB2 SER 63 1HB SER 63 3.332 -2.931 -9.505 417 HB3 SER 63 2HB SER 63 2.548 -4.230 -10.405 418 HG SER 63 HG SER 63 3.088 -5.584 -8.538 419 H GLY 64 H GLY 64 5.427 -6.568 -8.970 420 HA2 GLY 64 1HA GLY 64 4.086 -8.444 -10.722 421 HA3 GLY 64 2HA GLY 64 5.839 -8.466 -10.839 422 H GLU 65 H GLU 65 7.062 -9.291 -9.150 423 HA GLU 65 HA GLU 65 5.863 -11.332 -7.624 424 HB2 GLU 65 1HB GLU 65 8.554 -10.039 -7.150 425 HB3 GLU 65 2HB GLU 65 8.043 -11.632 -6.610 426 HG2 GLU 65 1HG GLU 65 7.965 -11.052 -9.519 427 HG3 GLU 65 2HG GLU 65 9.534 -11.299 -8.756 428 H ASP 66 H ASP 66 4.308 -10.710 -6.211 429 HA ASP 66 HA ASP 66 4.503 -8.414 -4.544 430 HB2 ASP 66 1HB ASP 66 2.647 -10.758 -4.716 431 HB3 ASP 66 2HB ASP 66 2.580 -9.706 -3.305 432 H SER 67 H SER 67 4.752 -11.901 -3.855 433 HA SER 67 HA SER 67 5.278 -11.793 -1.155 434 HB2 SER 67 1HB SER 67 5.028 -13.837 -2.748 435 HB3 SER 67 2HB SER 67 6.780 -13.717 -2.910 436 HG SER 67 HG SER 67 6.187 -15.127 -1.217 437 H LYS 68 H LYS 68 7.685 -11.775 -3.783 438 HA LYS 68 HA LYS 68 9.915 -11.382 -2.094 439 HB2 LYS 68 1HB LYS 68 9.453 -10.967 -5.038 440 HB3 LYS 68 2HB LYS 68 10.991 -10.561 -4.287 441 HG2 LYS 68 1HG LYS 68 11.073 -12.933 -3.441 442 HG3 LYS 68 2HG LYS 68 9.692 -13.263 -4.491 443 HD2 LYS 68 1HD LYS 68 10.946 -12.726 -6.442 444 HD3 LYS 68 2HD LYS 68 12.275 -12.069 -5.483 445 HE2 LYS 68 1HE LYS 68 12.459 -14.423 -4.485 446 HE3 LYS 68 2HE LYS 68 11.444 -14.934 -5.833 447 HZ1 LYS 68 3HZ LYS 68 13.132 -13.884 -7.321 448 HZ2 LYS 68 1HZ LYS 68 13.686 -15.240 -6.476 449 HZ3 LYS 68 2HZ LYS 68 14.132 -13.689 -5.970 450 H MET 69 H MET 69 7.823 -9.148 -3.859 451 HA MET 69 HA MET 69 9.161 -6.782 -3.648 452 HB2 MET 69 1HB MET 69 7.004 -6.944 -4.745 453 HB3 MET 69 2HB MET 69 6.211 -7.270 -3.210 454 HG2 MET 69 1HG MET 69 6.668 -5.056 -2.430 455 HG3 MET 69 2HG MET 69 7.666 -4.716 -3.842 456 HE1 MET 69 3HE MET 69 6.815 -3.945 -6.099 457 HE2 MET 69 1HE MET 69 5.326 -2.998 -6.085 458 HE3 MET 69 2HE MET 69 6.584 -2.681 -4.890 459 H LEU 70 H LEU 70 9.883 -5.519 -2.059 460 HA LEU 70 HA LEU 70 9.306 -6.268 0.692 461 HB2 LEU 70 1HB LEU 70 11.178 -4.132 -0.306 462 HB3 LEU 70 2HB LEU 70 11.143 -4.858 1.299 463 HG LEU 70 HG LEU 70 11.629 -6.710 -0.949 464 HD11 LEU 70 1HD1 LEU 70 12.993 -4.342 -1.051 465 HD12 LEU 70 2HD1 LEU 70 13.558 -5.878 -1.707 466 HD13 LEU 70 3HD1 LEU 70 14.075 -5.362 -0.102 467 HD21 LEU 70 3HD2 LEU 70 13.528 -6.749 1.197 468 HD22 LEU 70 1HD2 LEU 70 12.341 -7.969 0.733 469 HD23 LEU 70 2HD2 LEU 70 11.889 -6.678 1.847 470 H VAL 71 H VAL 71 8.032 -5.159 2.040 471 HA VAL 71 HA VAL 71 6.901 -2.619 1.072 472 HB VAL 71 HB VAL 71 5.719 -4.427 3.179 473 HG11 VAL 71 1HG1 VAL 71 5.105 -1.799 2.243 474 HG12 VAL 71 2HG1 VAL 71 3.780 -2.888 1.827 475 HG13 VAL 71 3HG1 VAL 71 4.311 -2.742 3.504 476 HG21 VAL 71 3HG2 VAL 71 5.870 -5.611 1.034 477 HG22 VAL 71 1HG2 VAL 71 4.199 -5.249 1.465 478 HG23 VAL 71 2HG2 VAL 71 5.024 -4.279 0.245 479 H CYS 72 H CYS 72 7.820 -0.907 1.983 480 HA CYS 72 HA CYS 72 9.403 -0.890 4.268 481 HB2 CYS 72 1HB CYS 72 9.230 0.897 2.465 482 HB3 CYS 72 2HB CYS 72 7.799 1.480 3.309 483 H ASP 73 H ASP 73 8.991 0.244 6.324 484 HA ASP 73 HA ASP 73 6.316 -0.434 7.332 485 HB2 ASP 73 1HB ASP 73 7.252 -0.928 9.375 486 HB3 ASP 73 2HB ASP 73 8.604 -1.323 8.318 487 H THR 74 H THR 74 8.615 2.166 6.981 488 HA THR 74 HA THR 74 7.117 4.000 8.634 489 HB THR 74 HB THR 74 9.513 4.380 6.837 490 HG1 THR 74 HG1 THR 74 9.087 4.239 9.640 491 HG21 THR 74 3HG2 THR 74 9.648 6.652 7.511 492 HG22 THR 74 1HG2 THR 74 8.341 6.458 8.678 493 HG23 THR 74 2HG2 THR 74 7.995 6.404 6.950 494 H CYS 75 H CYS 75 7.987 3.932 5.171 495 HA CYS 75 HA CYS 75 5.687 5.669 4.622 496 HB2 CYS 75 1HB CYS 75 6.748 6.302 2.611 497 HB3 CYS 75 2HB CYS 75 8.043 6.234 3.802 498 H ASP 76 H ASP 76 6.649 2.439 4.464 499 HA ASP 76 HA ASP 76 5.914 0.603 3.291 500 HB2 ASP 76 1HB ASP 76 3.273 2.003 3.758 501 HB3 ASP 76 2HB ASP 76 3.506 0.278 3.489 502 H LYS 77 H LYS 77 6.922 2.247 1.445 503 HA LYS 77 HA LYS 77 5.012 2.922 -0.594 504 HB2 LYS 77 1HB LYS 77 7.982 3.058 -0.314 505 HB3 LYS 77 2HB LYS 77 7.288 3.134 -1.929 506 HG2 LYS 77 1HG LYS 77 6.202 5.141 -1.506 507 HG3 LYS 77 2HG LYS 77 6.297 4.936 0.244 508 HD2 LYS 77 1HD LYS 77 7.975 6.448 -0.007 509 HD3 LYS 77 2HD LYS 77 8.907 4.978 -0.303 510 HE2 LYS 77 1HE LYS 77 9.493 6.448 -2.043 511 HE3 LYS 77 2HE LYS 77 8.358 5.307 -2.761 512 HZ1 LYS 77 3HZ LYS 77 7.874 7.585 -3.415 513 HZ2 LYS 77 1HZ LYS 77 7.678 8.032 -1.795 514 HZ3 LYS 77 2HZ LYS 77 6.602 6.939 -2.507 515 H GLY 78 H GLY 78 7.864 0.778 -0.750 516 HA2 GLY 78 1HA GLY 78 7.275 -1.627 -1.284 517 HA3 GLY 78 2HA GLY 78 6.318 -0.940 -2.588 518 H TYR 79 H TYR 79 9.118 -2.466 -1.969 519 HA TYR 79 HA TYR 79 10.303 -1.522 -4.458 520 HB2 TYR 79 1HB TYR 79 11.900 -1.652 -1.892 521 HB3 TYR 79 2HB TYR 79 12.518 -1.229 -3.485 522 HD1 TYR 79 HD1 TYR 79 10.459 -0.090 -0.660 523 HD2 TYR 79 HD2 TYR 79 12.161 0.962 -4.415 524 HE1 TYR 79 HE1 TYR 79 9.952 2.276 -0.220 525 HE2 TYR 79 HE2 TYR 79 11.660 3.331 -3.985 526 HH TYR 79 HH TYR 79 10.309 4.716 -2.664 527 H HIS 80 H HIS 80 11.185 -3.133 -5.616 528 HA HIS 80 HA HIS 80 10.828 -5.821 -4.794 529 HB2 HIS 80 1HB HIS 80 12.217 -4.555 -7.149 530 HB3 HIS 80 2HB HIS 80 12.193 -6.300 -6.912 531 HD2 HIS 80 HD2 HIS 80 8.978 -6.464 -6.010 532 HE1 HIS 80 HE1 HIS 80 8.355 -4.853 -9.885 533 HE2 HIS 80 HE2 HIS 80 7.282 -5.975 -7.901 534 H THR 81 H THR 81 12.660 -7.452 -4.968 535 HA THR 81 HA THR 81 14.776 -6.591 -3.164 536 HB THR 81 HB THR 81 15.327 -9.188 -3.480 537 HG1 THR 81 HG1 THR 81 12.513 -9.091 -3.896 538 HG21 THR 81 3HG2 THR 81 13.961 -9.633 -1.521 539 HG22 THR 81 1HG2 THR 81 13.011 -8.179 -1.823 540 HG23 THR 81 2HG2 THR 81 14.713 -8.045 -1.378 541 H PHE 82 H PHE 82 14.318 -7.327 -6.495 542 HA PHE 82 HA PHE 82 17.223 -7.480 -6.922 543 HB2 PHE 82 1HB PHE 82 16.371 -8.149 -9.315 544 HB3 PHE 82 2HB PHE 82 16.361 -9.330 -8.010 545 HD1 PHE 82 HD1 PHE 82 14.201 -9.726 -6.764 546 HD2 PHE 82 HD2 PHE 82 14.401 -7.560 -10.423 547 HE1 PHE 82 HE1 PHE 82 11.790 -10.084 -7.103 548 HE2 PHE 82 HE2 PHE 82 11.991 -7.913 -10.767 549 HZ PHE 82 HZ PHE 82 10.682 -9.175 -9.106 550 H CYS 83 H CYS 83 15.374 -5.077 -6.504 551 HA CYS 83 HA CYS 83 16.129 -3.622 -8.954 552 HB2 CYS 83 1HB CYS 83 13.753 -3.326 -7.131 553 HB3 CYS 83 2HB CYS 83 14.270 -2.009 -8.179 554 H LEU 84 H LEU 84 16.564 -3.908 -5.598 555 HA LEU 84 HA LEU 84 17.309 -1.180 -5.090 556 HB2 LEU 84 1HB LEU 84 17.812 -3.677 -3.478 557 HB3 LEU 84 2HB LEU 84 18.071 -2.026 -2.919 558 HG LEU 84 HG LEU 84 15.347 -2.849 -3.823 559 HD11 LEU 84 1HD1 LEU 84 16.626 -4.388 -1.979 560 HD12 LEU 84 2HD1 LEU 84 14.881 -4.140 -2.053 561 HD13 LEU 84 3HD1 LEU 84 15.864 -3.167 -0.958 562 HD21 LEU 84 3HD2 LEU 84 15.705 -1.228 -1.422 563 HD22 LEU 84 1HD2 LEU 84 14.713 -0.938 -2.852 564 HD23 LEU 84 2HD2 LEU 84 16.426 -0.518 -2.868 565 H GLN 85 H GLN 85 19.459 -0.508 -4.439 566 HA GLN 85 HA GLN 85 21.611 -2.115 -5.641 567 HB2 GLN 85 1HB GLN 85 21.132 -0.350 -7.205 568 HB3 GLN 85 2HB GLN 85 21.152 0.856 -5.926 569 HG2 GLN 85 1HG GLN 85 23.469 0.754 -5.699 570 HG3 GLN 85 2HG GLN 85 23.575 -0.787 -6.547 571 HE21 GLN 85 1HE2 GLN 85 24.803 1.938 -6.955 572 HE22 GLN 85 2HE2 GLN 85 24.509 2.290 -8.621 573 HA PRO 86 HA PRO 86 22.944 -3.294 -5.040 574 HB2 PRO 86 1HB PRO 86 23.331 -5.102 -3.052 575 HB3 PRO 86 2HB PRO 86 24.629 -4.090 -3.696 576 HG2 PRO 86 1HG PRO 86 22.998 -3.727 -1.212 577 HG3 PRO 86 2HG PRO 86 24.743 -3.513 -1.446 578 HD2 PRO 86 1HD PRO 86 23.015 -1.429 -1.391 579 HD3 PRO 86 2HD PRO 86 24.489 -1.421 -2.380 580 H VAL 87 H VAL 87 21.819 -5.477 -4.977 581 HA VAL 87 HA VAL 87 19.018 -5.030 -4.350 582 HB VAL 87 HB VAL 87 18.829 -7.376 -5.452 583 HG11 VAL 87 1HG1 VAL 87 18.160 -5.191 -6.444 584 HG12 VAL 87 2HG1 VAL 87 19.777 -5.064 -7.139 585 HG13 VAL 87 3HG1 VAL 87 18.707 -6.378 -7.628 586 HG21 VAL 87 3HG2 VAL 87 21.323 -7.751 -5.250 587 HG22 VAL 87 1HG2 VAL 87 20.618 -8.076 -6.833 588 HG23 VAL 87 2HG2 VAL 87 21.514 -6.583 -6.557 589 H MET 88 H MET 88 17.741 -6.430 -3.094 590 HA MET 88 HA MET 88 19.229 -7.756 -0.959 591 HB2 MET 88 1HB MET 88 16.418 -6.742 -1.234 592 HB3 MET 88 2HB MET 88 16.822 -7.904 0.023 593 HG2 MET 88 1HG MET 88 18.323 -6.409 1.059 594 HG3 MET 88 2HG MET 88 18.303 -5.317 -0.324 595 HE1 MET 88 3HE MET 88 14.888 -5.848 2.726 596 HE2 MET 88 1HE MET 88 15.433 -7.156 1.676 597 HE3 MET 88 2HE MET 88 16.512 -6.510 2.913 598 H LYS 89 H LYS 89 19.823 -9.556 -2.356 599 HA LYS 89 HA LYS 89 18.396 -11.270 -3.806 600 HB2 LYS 89 1HB LYS 89 20.527 -11.717 -1.782 601 HB3 LYS 89 2HB LYS 89 19.679 -13.138 -2.378 602 HG2 LYS 89 1HG LYS 89 21.556 -12.920 -3.755 603 HG3 LYS 89 2HG LYS 89 20.213 -12.290 -4.712 604 HD2 LYS 89 1HD LYS 89 20.871 -9.992 -3.878 605 HD3 LYS 89 2HD LYS 89 22.345 -10.740 -3.258 606 HE2 LYS 89 1HE LYS 89 22.660 -9.717 -5.479 607 HE3 LYS 89 2HE LYS 89 22.964 -11.453 -5.482 608 HZ1 LYS 89 3HZ LYS 89 21.385 -11.748 -6.990 609 HZ2 LYS 89 1HZ LYS 89 21.259 -10.068 -7.141 610 HZ3 LYS 89 2HZ LYS 89 20.244 -10.900 -6.074 611 H SER 90 H SER 90 18.369 -11.300 -0.249 612 HA SER 90 HA SER 90 15.880 -12.875 -0.374 613 HB2 SER 90 1HB SER 90 17.990 -12.823 1.796 614 HB3 SER 90 2HB SER 90 16.466 -13.705 1.895 615 HG SER 90 HG SER 90 17.387 -14.543 -0.304 616 H VAL 91 H VAL 91 14.595 -12.576 1.776 617 HA VAL 91 HA VAL 91 14.362 -9.677 2.235 618 HB VAL 91 HB VAL 91 12.258 -11.831 2.475 619 HG11 VAL 91 1HG1 VAL 91 10.758 -10.282 3.285 620 HG12 VAL 91 2HG1 VAL 91 12.244 -9.778 4.092 621 HG13 VAL 91 3HG1 VAL 91 11.675 -8.910 2.665 622 HG21 VAL 91 3HG2 VAL 91 12.320 -11.479 0.226 623 HG22 VAL 91 1HG2 VAL 91 11.258 -10.146 0.680 624 HG23 VAL 91 2HG2 VAL 91 12.971 -9.848 0.386 625 HA PRO 92 HA PRO 92 15.518 -10.316 6.444 626 HB2 PRO 92 1HB PRO 92 14.525 -8.010 7.478 627 HB3 PRO 92 2HB PRO 92 15.990 -8.068 6.489 628 HG2 PRO 92 1HG PRO 92 13.198 -7.332 5.698 629 HG3 PRO 92 2HG PRO 92 14.728 -6.552 5.257 630 HD2 PRO 92 1HD PRO 92 13.424 -8.245 3.594 631 HD3 PRO 92 2HD PRO 92 15.194 -8.105 3.619 632 H THR 93 H THR 93 14.639 -11.011 8.365 633 HA THR 93 HA THR 93 12.286 -12.326 8.490 634 HB THR 93 HB THR 93 13.438 -10.802 10.835 635 HG1 THR 93 HG1 THR 93 15.092 -12.070 10.370 636 HG21 THR 93 3HG2 THR 93 11.092 -12.090 10.811 637 HG22 THR 93 1HG2 THR 93 12.155 -12.076 12.217 638 HG23 THR 93 2HG2 THR 93 12.158 -13.460 11.123 639 H ASN 94 H ASN 94 12.652 -9.081 9.938 640 HA ASN 94 HA ASN 94 10.236 -8.100 8.810 641 HB2 ASN 94 1HB ASN 94 9.435 -9.710 10.630 642 HB3 ASN 94 2HB ASN 94 10.093 -8.558 11.788 643 HD21 ASN 94 1HD2 ASN 94 7.921 -8.749 9.000 644 HD22 ASN 94 2HD2 ASN 94 6.797 -7.570 9.576 645 H GLY 95 H GLY 95 10.022 -5.893 9.072 646 HA2 GLY 95 1HA GLY 95 10.471 -3.797 10.063 647 HA3 GLY 95 2HA GLY 95 11.768 -4.538 10.988 648 H TRP 96 H TRP 96 10.884 -3.818 7.614 649 HA TRP 96 HA TRP 96 13.733 -3.308 7.076 650 HB2 TRP 96 1HB TRP 96 12.800 -5.058 5.668 651 HB3 TRP 96 2HB TRP 96 11.484 -3.996 5.173 652 HD1 TRP 96 HD1 TRP 96 15.336 -4.233 4.837 653 HE1 TRP 96 HE1 TRP 96 16.009 -3.119 2.617 654 HE3 TRP 96 HE3 TRP 96 10.752 -2.508 3.372 655 HZ2 TRP 96 HZ2 TRP 96 14.762 -1.697 0.521 656 HZ3 TRP 96 HZ3 TRP 96 10.577 -1.281 1.247 657 HH2 TRP 96 HH2 TRP 96 12.542 -0.884 -0.147 658 H LYS 97 H LYS 97 14.397 -1.338 6.436 659 HA LYS 97 HA LYS 97 12.326 0.723 6.047 660 HB2 LYS 97 1HB LYS 97 14.020 0.753 8.072 661 HB3 LYS 97 2HB LYS 97 15.113 1.422 6.868 662 HG2 LYS 97 1HG LYS 97 13.660 3.278 6.479 663 HG3 LYS 97 2HG LYS 97 12.401 2.566 7.490 664 HD2 LYS 97 1HD LYS 97 13.735 4.391 8.582 665 HD3 LYS 97 2HD LYS 97 13.706 2.861 9.461 666 HE2 LYS 97 1HE LYS 97 15.902 2.307 8.716 667 HE3 LYS 97 2HE LYS 97 15.920 3.655 7.580 668 HZ1 LYS 97 3HZ LYS 97 15.641 4.097 10.489 669 HZ2 LYS 97 1HZ LYS 97 16.130 5.193 9.297 670 HZ3 LYS 97 2HZ LYS 97 17.161 3.937 9.765 671 H CYS 98 H CYS 98 12.249 1.672 4.123 672 HA CYS 98 HA CYS 98 14.061 0.975 2.047 673 HB2 CYS 98 1HB CYS 98 12.678 2.215 0.614 674 HB3 CYS 98 2HB CYS 98 11.577 1.629 1.857 675 H LYS 99 H LYS 99 15.199 2.602 0.692 676 HA LYS 99 HA LYS 99 17.058 4.055 2.239 677 HB2 LYS 99 1HB LYS 99 17.799 3.235 0.144 678 HB3 LYS 99 2HB LYS 99 16.455 3.981 -0.712 679 HG2 LYS 99 1HG LYS 99 18.102 5.441 -1.261 680 HG3 LYS 99 2HG LYS 99 17.548 6.193 0.237 681 HD2 LYS 99 1HD LYS 99 19.334 5.111 1.472 682 HD3 LYS 99 2HD LYS 99 19.859 4.264 0.016 683 HE2 LYS 99 1HE LYS 99 19.795 7.263 0.313 684 HE3 LYS 99 2HE LYS 99 21.226 6.269 0.580 685 HZ1 LYS 99 3HZ LYS 99 19.987 7.088 -1.897 686 HZ2 LYS 99 1HZ LYS 99 20.431 5.456 -1.850 687 HZ3 LYS 99 2HZ LYS 99 21.592 6.656 -1.579 688 H ASN 100 H ASN 100 14.244 5.050 0.339 689 HA ASN 100 HA ASN 100 14.586 7.817 0.519 690 HB2 ASN 100 1HB ASN 100 12.252 6.010 0.065 691 HB3 ASN 100 2HB ASN 100 11.937 7.708 0.409 692 HD21 ASN 100 1HD2 ASN 100 11.782 8.952 -1.299 693 HD22 ASN 100 2HD2 ASN 100 12.537 8.687 -2.830 694 H CYS 101 H CYS 101 13.645 5.514 2.893 695 HA CYS 101 HA CYS 101 12.543 7.564 4.660 696 HB2 CYS 101 1HB CYS 101 12.510 4.585 4.600 697 HB3 CYS 101 2HB CYS 101 12.388 5.375 6.169 698 H ARG 102 H ARG 102 15.206 5.235 4.506 699 HA ARG 102 HA ARG 102 16.327 5.791 7.018 700 HB2 ARG 102 1HB ARG 102 18.044 4.416 6.388 701 HB3 ARG 102 2HB ARG 102 16.850 3.944 5.186 702 HG2 ARG 102 1HG ARG 102 17.884 5.335 3.527 703 HG3 ARG 102 2HG ARG 102 18.998 6.000 4.724 704 HD2 ARG 102 1HD ARG 102 18.935 3.052 4.363 705 HD3 ARG 102 2HD ARG 102 19.688 4.021 3.097 706 HE ARG 102 HE ARG 102 20.744 4.906 5.494 707 HH11 ARG 102 2HH1 ARG 102 20.649 1.939 3.675 708 HH12 ARG 102 1HH1 ARG 102 22.174 1.373 4.271 709 HH21 ARG 102 2HH2 ARG 102 22.753 4.172 6.285 710 HH22 ARG 102 1HH2 ARG 102 23.370 2.643 5.756 711 H ILE 103 H ILE 103 16.128 7.713 4.249 712 HA ILE 103 HA ILE 103 18.458 9.124 4.072 713 HB ILE 103 HB ILE 103 15.654 10.239 3.956 714 HG12 ILE 103 1HG1 ILE 103 15.747 8.702 2.226 715 HG13 ILE 103 2HG1 ILE 103 16.340 10.151 1.422 716 HG21 ILE 103 1HG2 ILE 103 16.724 12.040 2.574 717 HG22 ILE 103 2HG2 ILE 103 17.121 12.080 4.291 718 HG23 ILE 103 3HG2 ILE 103 18.287 11.443 3.131 719 HD11 ILE 103 3HD1 ILE 103 17.725 8.327 0.789 720 HD12 ILE 103 1HD1 ILE 103 18.657 9.361 1.872 721 HD13 ILE 103 2HD1 ILE 103 17.965 7.852 2.470 722 H CYS 104 H CYS 104 19.461 10.772 5.149 723 HA CYS 104 HA CYS 104 18.577 11.213 7.899 724 HB2 CYS 104 1HB CYS 104 21.188 11.856 6.514 725 HB3 CYS 104 2HB CYS 104 20.848 12.196 8.206 726 HG CYS 104 HG CYS 104 22.456 9.984 8.247 727 H ILE 105 H ILE 105 17.286 12.894 8.230 728 HA ILE 105 HA ILE 105 16.993 15.061 6.441 729 HB ILE 105 HB ILE 105 15.651 16.116 8.235 730 HG12 ILE 105 1HG1 ILE 105 15.953 13.677 9.923 731 HG13 ILE 105 2HG1 ILE 105 17.217 14.898 10.008 732 HG21 ILE 105 1HG2 ILE 105 15.198 13.540 7.009 733 HG22 ILE 105 2HG2 ILE 105 14.316 13.696 8.528 734 HG23 ILE 105 3HG2 ILE 105 14.083 14.886 7.248 735 HD11 ILE 105 3HD1 ILE 105 14.939 16.392 10.231 736 HD12 ILE 105 1HD1 ILE 105 14.520 14.914 11.096 737 HD13 ILE 105 2HD1 ILE 105 15.945 15.840 11.569 738 H SER 106 H SER 106 17.087 17.400 7.434 739 HA SER 106 HA SER 106 19.564 18.386 7.405 740 HB2 SER 106 1HB SER 106 17.837 19.974 7.566 741 HB3 SER 106 2HB SER 106 17.212 19.276 9.060 742 HG SER 106 HG SER 106 19.809 20.358 8.969 743 H GLY 107 H GLY 107 21.382 17.888 8.423 744 HA2 GLY 107 1HA GLY 107 21.213 17.024 11.243 745 HA3 GLY 107 2HA GLY 107 22.436 16.466 10.111 746 HA PRO 108 HA PRO 108 23.624 20.469 12.503 747 HB2 PRO 108 1HB PRO 108 24.828 19.418 14.698 748 HB3 PRO 108 2HB PRO 108 23.117 19.858 14.660 749 HG2 PRO 108 1HG PRO 108 24.388 17.168 14.336 750 HG3 PRO 108 2HG PRO 108 22.946 17.619 15.263 751 HD2 PRO 108 1HD PRO 108 22.803 16.466 12.817 752 HD3 PRO 108 2HD PRO 108 21.595 17.631 13.396 753 H SER 109 H SER 109 24.954 17.651 11.264 754 HA SER 109 HA SER 109 27.690 17.947 11.820 755 HB2 SER 109 1HB SER 109 26.510 15.941 10.768 756 HB3 SER 109 2HB SER 109 26.585 16.825 9.244 757 HG SER 109 HG SER 109 28.697 16.537 9.159 758 H SER 110 H SER 110 28.894 19.665 11.388 759 HA SER 110 HA SER 110 28.509 21.033 8.805 760 HB2 SER 110 1HB SER 110 27.792 22.334 10.881 761 HB3 SER 110 2HB SER 110 29.500 22.391 11.314 762 HG SER 110 HG SER 110 28.343 24.110 9.857 763 H GLY 111 H GLY 111 30.226 18.884 9.023 764 HA2 GLY 111 1HA GLY 111 32.365 18.851 7.847 765 HA3 GLY 111 2HA GLY 111 32.850 20.226 8.829 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -24.507 -9.754 8.533 2 HA2 GLY 1 1HA GLY 1 -22.196 -9.316 8.319 3 HA3 GLY 1 2HA GLY 1 -22.452 -8.921 6.626 4 H SER 2 H SER 2 -24.242 -6.987 6.553 5 HA SER 2 HA SER 2 -23.658 -4.959 8.543 6 HB2 SER 2 1HB SER 2 -21.778 -4.819 6.893 7 HB3 SER 2 2HB SER 2 -22.965 -4.459 5.639 8 HG SER 2 HG SER 2 -21.802 -2.709 7.075 9 H SER 3 H SER 3 -25.364 -3.668 8.848 10 HA SER 3 HA SER 3 -27.638 -3.961 7.038 11 HB2 SER 3 1HB SER 3 -28.991 -3.088 8.827 12 HB3 SER 3 2HB SER 3 -27.904 -4.292 9.518 13 HG SER 3 HG SER 3 -26.582 -2.085 9.699 14 H GLY 4 H GLY 4 -28.012 -2.490 5.527 15 HA2 GLY 4 1HA GLY 4 -28.502 -0.276 4.826 16 HA3 GLY 4 2HA GLY 4 -27.474 0.331 6.115 17 H SER 5 H SER 5 -26.569 1.711 4.442 18 HA SER 5 HA SER 5 -24.881 0.363 2.474 19 HB2 SER 5 1HB SER 5 -24.726 2.427 1.348 20 HB3 SER 5 2HB SER 5 -26.382 2.393 1.952 21 HG SER 5 HG SER 5 -24.191 3.695 3.206 22 H SER 6 H SER 6 -22.696 1.590 2.115 23 HA SER 6 HA SER 6 -21.434 2.402 4.606 24 HB2 SER 6 1HB SER 6 -20.351 0.066 3.014 25 HB3 SER 6 2HB SER 6 -19.670 0.739 4.495 26 HG SER 6 HG SER 6 -21.871 0.196 5.384 27 H GLY 7 H GLY 7 -19.869 3.883 4.291 28 HA2 GLY 7 1HA GLY 7 -19.323 4.671 1.533 29 HA3 GLY 7 2HA GLY 7 -18.969 5.614 2.973 30 H ALA 8 H ALA 8 -17.622 3.849 0.522 31 HA ALA 8 HA ALA 8 -15.554 2.987 0.106 32 HB1 ALA 8 3HB ALA 8 -13.724 4.217 0.915 33 HB2 ALA 8 1HB ALA 8 -15.059 5.368 0.853 34 HB3 ALA 8 2HB ALA 8 -14.571 4.665 2.395 35 H ASN 9 H ASN 9 -17.123 1.347 1.701 36 HA ASN 9 HA ASN 9 -16.216 0.445 4.102 37 HB2 ASN 9 1HB ASN 9 -16.857 -1.902 3.195 38 HB3 ASN 9 2HB ASN 9 -18.103 -0.660 3.280 39 HD21 ASN 9 1HD2 ASN 9 -16.200 -2.665 1.241 40 HD22 ASN 9 2HD2 ASN 9 -16.957 -2.238 -0.253 41 H CYS 10 H CYS 10 -14.632 -0.931 4.860 42 HA CYS 10 HA CYS 10 -12.123 -0.842 3.652 43 HB2 CYS 10 1HB CYS 10 -12.668 -1.305 6.092 44 HB3 CYS 10 2HB CYS 10 -12.994 -2.967 5.611 45 H ALA 11 H ALA 11 -11.261 -1.919 2.012 46 HA ALA 11 HA ALA 11 -12.698 -3.980 0.660 47 HB1 ALA 11 3HB ALA 11 -10.241 -4.061 -0.476 48 HB2 ALA 11 1HB ALA 11 -11.506 -2.914 -0.918 49 HB3 ALA 11 2HB ALA 11 -10.238 -2.438 0.212 50 H VAL 12 H VAL 12 -11.164 -4.183 3.475 51 HA VAL 12 HA VAL 12 -10.066 -6.866 2.938 52 HB VAL 12 HB VAL 12 -9.334 -4.927 5.136 53 HG11 VAL 12 1HG1 VAL 12 -9.131 -7.778 5.034 54 HG12 VAL 12 2HG1 VAL 12 -7.514 -7.072 5.016 55 HG13 VAL 12 3HG1 VAL 12 -8.638 -6.674 6.316 56 HG21 VAL 12 3HG2 VAL 12 -7.083 -5.054 4.041 57 HG22 VAL 12 1HG2 VAL 12 -7.851 -5.920 2.709 58 HG23 VAL 12 2HG2 VAL 12 -8.329 -4.262 3.076 59 H CYS 13 H CYS 13 -11.850 -4.916 5.309 60 HA CYS 13 HA CYS 13 -12.990 -7.409 6.389 61 HB2 CYS 13 1HB CYS 13 -13.292 -6.308 8.491 62 HB3 CYS 13 2HB CYS 13 -11.640 -5.990 7.973 63 H ASP 14 H ASP 14 -13.649 -4.507 4.728 64 HA ASP 14 HA ASP 14 -15.552 -3.589 3.887 65 HB2 ASP 14 1HB ASP 14 -15.985 -5.867 3.085 66 HB3 ASP 14 2HB ASP 14 -16.750 -6.269 4.620 67 H SER 15 H SER 15 -15.037 -2.595 6.257 68 HA SER 15 HA SER 15 -17.680 -2.338 7.492 69 HB2 SER 15 1HB SER 15 -15.114 -2.977 8.951 70 HB3 SER 15 2HB SER 15 -16.522 -2.290 9.761 71 HG SER 15 HG SER 15 -16.119 -4.840 8.743 72 HA PRO 16 HA PRO 16 -16.726 1.954 7.182 73 HB2 PRO 16 1HB PRO 16 -18.602 2.903 8.900 74 HB3 PRO 16 2HB PRO 16 -18.994 2.302 7.284 75 HG2 PRO 16 1HG PRO 16 -19.221 0.915 9.927 76 HG3 PRO 16 2HG PRO 16 -20.362 0.930 8.570 77 HD2 PRO 16 1HD PRO 16 -18.678 -1.138 9.034 78 HD3 PRO 16 2HD PRO 16 -19.186 -0.668 7.399 79 H GLY 17 H GLY 17 -17.432 0.860 10.513 80 HA2 GLY 17 1HA GLY 17 -16.589 1.743 12.510 81 HA3 GLY 17 2HA GLY 17 -15.128 1.074 11.798 82 H ASP 18 H ASP 18 -13.472 2.410 11.496 83 HA ASP 18 HA ASP 18 -13.975 5.295 11.745 84 HB2 ASP 18 1HB ASP 18 -11.694 3.520 12.485 85 HB3 ASP 18 2HB ASP 18 -11.337 5.188 12.046 86 H LEU 19 H LEU 19 -13.946 6.435 9.935 87 HA LEU 19 HA LEU 19 -12.912 5.367 7.486 88 HB2 LEU 19 1HB LEU 19 -13.990 8.098 8.169 89 HB3 LEU 19 2HB LEU 19 -13.582 7.558 6.542 90 HG LEU 19 HG LEU 19 -15.694 6.267 8.264 91 HD11 LEU 19 1HD1 LEU 19 -15.989 8.750 7.465 92 HD12 LEU 19 2HD1 LEU 19 -17.312 7.591 7.335 93 HD13 LEU 19 3HD1 LEU 19 -16.338 7.980 5.917 94 HD21 LEU 19 3HD2 LEU 19 -15.591 4.673 6.718 95 HD22 LEU 19 1HD2 LEU 19 -14.446 5.601 5.750 96 HD23 LEU 19 2HD2 LEU 19 -16.180 5.856 5.550 97 H LEU 20 H LEU 20 -12.006 8.072 9.607 98 HA LEU 20 HA LEU 20 -9.785 8.922 8.101 99 HB2 LEU 20 1HB LEU 20 -10.707 9.298 10.908 100 HB3 LEU 20 2HB LEU 20 -9.063 9.772 10.485 101 HG LEU 20 HG LEU 20 -11.506 10.814 9.063 102 HD11 LEU 20 1HD1 LEU 20 -10.906 12.918 10.421 103 HD12 LEU 20 2HD1 LEU 20 -10.095 11.797 11.514 104 HD13 LEU 20 3HD1 LEU 20 -11.825 11.636 11.211 105 HD21 LEU 20 3HD2 LEU 20 -8.616 11.668 9.131 106 HD22 LEU 20 1HD2 LEU 20 -9.916 12.598 8.386 107 HD23 LEU 20 2HD2 LEU 20 -9.500 11.003 7.757 108 H ASP 21 H ASP 21 -10.121 6.573 10.711 109 HA ASP 21 HA ASP 21 -7.466 6.084 11.304 110 HB2 ASP 21 1HB ASP 21 -9.233 5.071 12.601 111 HB3 ASP 21 2HB ASP 21 -9.788 4.152 11.204 112 H GLN 22 H GLN 22 -9.454 4.585 8.769 113 HA GLN 22 HA GLN 22 -7.222 3.079 7.740 114 HB2 GLN 22 1HB GLN 22 -8.854 2.466 5.925 115 HB3 GLN 22 2HB GLN 22 -9.362 2.045 7.555 116 HG2 GLN 22 1HG GLN 22 -10.808 3.999 7.625 117 HG3 GLN 22 2HG GLN 22 -10.279 4.457 6.007 118 HE21 GLN 22 1HE2 GLN 22 -12.721 4.361 5.831 119 HE22 GLN 22 2HE2 GLN 22 -13.394 2.858 5.309 120 H PHE 23 H PHE 23 -5.943 3.560 6.041 121 HA PHE 23 HA PHE 23 -5.655 6.216 5.198 122 HB2 PHE 23 1HB PHE 23 -4.642 3.677 3.903 123 HB3 PHE 23 2HB PHE 23 -4.088 5.300 3.508 124 HD1 PHE 23 HD2 PHE 23 -4.195 2.741 6.162 125 HD2 PHE 23 HD1 PHE 23 -2.482 6.405 4.838 126 HE1 PHE 23 HE2 PHE 23 -2.508 2.593 7.946 127 HE2 PHE 23 HE1 PHE 23 -0.792 6.263 6.620 128 HZ PHE 23 HZ PHE 23 -0.804 4.355 8.178 129 H PHE 24 H PHE 24 -5.583 6.780 2.764 130 HA PHE 24 HA PHE 24 -7.923 5.688 1.370 131 HB2 PHE 24 1HB PHE 24 -8.870 7.632 2.284 132 HB3 PHE 24 2HB PHE 24 -7.394 8.566 2.059 133 HD1 PHE 24 HD1 PHE 24 -10.074 6.842 0.142 134 HD2 PHE 24 HD2 PHE 24 -7.186 9.967 0.232 135 HE1 PHE 24 HE1 PHE 24 -10.958 7.715 -1.982 136 HE2 PHE 24 HE2 PHE 24 -8.066 10.846 -1.891 137 HZ PHE 24 HZ PHE 24 -9.955 9.721 -3.000 138 H CYS 25 H CYS 25 -7.269 4.961 -0.533 139 HA CYS 25 HA CYS 25 -4.780 5.705 -1.700 140 HB2 CYS 25 1HB CYS 25 -5.883 3.456 -1.931 141 HB3 CYS 25 2HB CYS 25 -7.048 4.204 -3.018 142 H THR 26 H THR 26 -4.454 6.672 -3.781 143 HA THR 26 HA THR 26 -6.458 8.740 -4.362 144 HB THR 26 HB THR 26 -4.593 9.889 -5.579 145 HG1 THR 26 HG1 THR 26 -2.445 8.978 -4.727 146 HG21 THR 26 3HG2 THR 26 -4.948 9.557 -2.746 147 HG22 THR 26 1HG2 THR 26 -4.484 10.999 -3.649 148 HG23 THR 26 2HG2 THR 26 -3.250 9.858 -3.112 149 H THR 27 H THR 27 -4.594 6.142 -5.796 150 HA THR 27 HA THR 27 -5.255 6.684 -8.500 151 HB THR 27 HB THR 27 -4.532 4.009 -7.291 152 HG1 THR 27 HG1 THR 27 -3.085 6.228 -7.429 153 HG21 THR 27 3HG2 THR 27 -5.438 3.874 -9.563 154 HG22 THR 27 1HG2 THR 27 -3.718 3.488 -9.541 155 HG23 THR 27 2HG2 THR 27 -4.259 5.068 -10.107 156 H CYS 28 H CYS 28 -6.412 4.029 -6.411 157 HA CYS 28 HA CYS 28 -8.749 3.706 -8.105 158 HB2 CYS 28 1HB CYS 28 -9.181 1.700 -6.863 159 HB3 CYS 28 2HB CYS 28 -7.455 1.750 -7.209 160 H GLY 29 H GLY 29 -8.002 4.574 -4.748 161 HA2 GLY 29 1HA GLY 29 -9.213 6.221 -3.543 162 HA3 GLY 29 2HA GLY 29 -10.583 5.958 -4.612 163 H GLN 30 H GLN 30 -8.764 3.409 -3.013 164 HA GLN 30 HA GLN 30 -11.224 2.629 -1.623 165 HB2 GLN 30 1HB GLN 30 -8.746 1.123 -2.421 166 HB3 GLN 30 2HB GLN 30 -9.875 0.469 -1.242 167 HG2 GLN 30 1HG GLN 30 -10.527 1.227 -4.082 168 HG3 GLN 30 2HG GLN 30 -10.298 -0.410 -3.468 169 HE21 GLN 30 1HE2 GLN 30 -11.677 -0.559 -1.237 170 HE22 GLN 30 2HE2 GLN 30 -13.351 -0.209 -1.483 171 H HIS 31 H HIS 31 -11.096 1.862 0.582 172 HA HIS 31 HA HIS 31 -9.044 3.309 2.115 173 HB2 HIS 31 1HB HIS 31 -11.784 2.371 2.993 174 HB3 HIS 31 2HB HIS 31 -10.643 3.276 3.984 175 HD1 HIS 31 HD1 HIS 31 -12.543 5.104 4.193 176 HD2 HIS 31 HD2 HIS 31 -10.995 4.573 0.374 177 HE1 HIS 31 HE1 HIS 31 -13.282 7.119 2.882 178 HE2 HIS 31 HE2 HIS 31 -12.406 6.734 0.552 179 H TYR 32 H TYR 32 -8.226 2.314 4.065 180 HA TYR 32 HA TYR 32 -8.629 -0.510 4.474 181 HB2 TYR 32 1HB TYR 32 -5.920 0.479 3.561 182 HB3 TYR 32 2HB TYR 32 -6.296 -1.157 4.089 183 HD1 TYR 32 HD2 TYR 32 -6.989 1.356 1.454 184 HD2 TYR 32 HD1 TYR 32 -7.189 -2.742 2.584 185 HE1 TYR 32 HE2 TYR 32 -7.575 0.753 -0.857 186 HE2 TYR 32 HE1 TYR 32 -7.774 -3.356 0.275 187 HH TYR 32 HH TYR 32 -8.024 -2.634 -1.816 188 H HIS 33 H HIS 33 -8.612 -0.793 6.594 189 HA HIS 33 HA HIS 33 -7.795 1.183 8.423 190 HB2 HIS 33 1HB HIS 33 -8.362 -1.758 8.846 191 HB3 HIS 33 2HB HIS 33 -8.144 -0.591 10.147 192 HD2 HIS 33 HD2 HIS 33 -10.113 1.763 9.383 193 HE1 HIS 33 HE1 HIS 33 -13.047 -1.224 8.698 194 HE2 HIS 33 HE2 HIS 33 -12.620 1.237 9.022 195 H GLY 34 H GLY 34 -6.145 0.984 10.101 196 HA2 GLY 34 1HA GLY 34 -3.603 0.311 8.957 197 HA3 GLY 34 2HA GLY 34 -3.885 0.948 10.571 198 H MET 35 H MET 35 -5.873 -1.369 10.914 199 HA MET 35 HA MET 35 -3.863 -3.258 11.873 200 HB2 MET 35 1HB MET 35 -5.489 -2.580 13.513 201 HB3 MET 35 2HB MET 35 -6.818 -2.985 12.434 202 HG2 MET 35 1HG MET 35 -6.642 -4.694 14.080 203 HG3 MET 35 2HG MET 35 -6.109 -5.357 12.538 204 HE1 MET 35 3HE MET 35 -5.163 -7.374 14.042 205 HE2 MET 35 1HE MET 35 -4.219 -7.012 12.596 206 HE3 MET 35 2HE MET 35 -3.401 -7.354 14.121 207 H CYS 36 H CYS 36 -6.688 -3.111 9.762 208 HA CYS 36 HA CYS 36 -6.966 -5.805 9.155 209 HB2 CYS 36 1HB CYS 36 -7.635 -3.259 7.767 210 HB3 CYS 36 2HB CYS 36 -7.678 -4.736 6.810 211 H LEU 37 H LEU 37 -4.572 -3.517 8.108 212 HA LEU 37 HA LEU 37 -3.451 -5.522 6.268 213 HB2 LEU 37 1HB LEU 37 -3.283 -2.530 6.342 214 HB3 LEU 37 2HB LEU 37 -2.097 -3.488 5.459 215 HG LEU 37 HG LEU 37 -3.952 -4.431 4.100 216 HD11 LEU 37 1HD1 LEU 37 -6.124 -3.308 4.149 217 HD12 LEU 37 2HD1 LEU 37 -5.601 -2.358 5.539 218 HD13 LEU 37 3HD1 LEU 37 -5.771 -4.108 5.681 219 HD21 LEU 37 3HD2 LEU 37 -4.505 -1.804 3.343 220 HD22 LEU 37 1HD2 LEU 37 -3.229 -2.849 2.718 221 HD23 LEU 37 2HD2 LEU 37 -2.892 -1.751 4.057 222 H ASP 38 H ASP 38 -3.154 -4.639 9.340 223 HA ASP 38 HA ASP 38 -1.531 -4.787 10.928 224 HB2 ASP 38 1HB ASP 38 -1.214 -6.998 9.761 225 HB3 ASP 38 2HB ASP 38 0.077 -6.247 8.827 226 H ILE 39 H ILE 39 -1.575 -2.444 9.325 227 HA ILE 39 HA ILE 39 1.264 -1.775 9.004 228 HB ILE 39 HB ILE 39 -1.166 -0.205 8.137 229 HG12 ILE 39 1HG1 ILE 39 0.776 -1.756 6.419 230 HG13 ILE 39 2HG1 ILE 39 -0.771 -2.402 6.955 231 HG21 ILE 39 1HG2 ILE 39 0.904 0.718 6.655 232 HG22 ILE 39 2HG2 ILE 39 0.333 1.469 8.144 233 HG23 ILE 39 3HG2 ILE 39 1.713 0.371 8.182 234 HD11 ILE 39 3HD1 ILE 39 -0.634 0.187 5.471 235 HD12 ILE 39 1HD1 ILE 39 -0.596 -1.354 4.616 236 HD13 ILE 39 2HD1 ILE 39 -1.980 -0.941 5.629 237 H ALA 40 H ALA 40 2.192 -0.006 10.037 238 HA ALA 40 HA ALA 40 0.891 0.746 12.536 239 HB1 ALA 40 3HB ALA 40 3.552 1.841 12.026 240 HB2 ALA 40 1HB ALA 40 2.945 0.924 13.405 241 HB3 ALA 40 2HB ALA 40 3.475 0.080 11.950 242 H VAL 41 H VAL 41 -0.585 2.321 12.116 243 HA VAL 41 HA VAL 41 -0.561 4.320 10.259 244 HB VAL 41 HB VAL 41 -1.560 4.559 13.101 245 HG11 VAL 41 1HG1 VAL 41 -1.623 6.384 10.812 246 HG12 VAL 41 2HG1 VAL 41 -3.197 6.100 11.559 247 HG13 VAL 41 3HG1 VAL 41 -1.855 6.707 12.530 248 HG21 VAL 41 3HG2 VAL 41 -3.564 3.623 12.419 249 HG22 VAL 41 1HG2 VAL 41 -3.262 3.965 10.715 250 HG23 VAL 41 2HG2 VAL 41 -2.386 2.665 11.522 251 H THR 42 H THR 42 0.833 5.876 9.798 252 HA THR 42 HA THR 42 2.239 7.225 12.001 253 HB THR 42 HB THR 42 4.256 7.397 10.517 254 HG1 THR 42 HG1 THR 42 4.297 5.682 8.851 255 HG21 THR 42 3HG2 THR 42 4.820 5.820 12.014 256 HG22 THR 42 1HG2 THR 42 4.536 4.679 10.700 257 HG23 THR 42 2HG2 THR 42 3.264 5.002 11.878 258 HA PRO 43 HA PRO 43 1.046 10.992 10.084 259 HB2 PRO 43 1HB PRO 43 3.131 12.601 10.744 260 HB3 PRO 43 2HB PRO 43 1.923 12.063 11.917 261 HG2 PRO 43 1HG PRO 43 4.668 10.988 11.397 262 HG3 PRO 43 2HG PRO 43 3.860 11.290 12.946 263 HD2 PRO 43 1HD PRO 43 4.037 8.819 11.854 264 HD3 PRO 43 2HD PRO 43 2.655 9.328 12.844 265 H LEU 44 H LEU 44 3.420 9.091 8.856 266 HA LEU 44 HA LEU 44 4.236 11.022 6.799 267 HB2 LEU 44 1HB LEU 44 5.988 9.769 8.064 268 HB3 LEU 44 2HB LEU 44 5.369 8.284 7.345 269 HG LEU 44 HG LEU 44 5.854 9.610 5.099 270 HD11 LEU 44 1HD1 LEU 44 6.744 11.476 6.848 271 HD12 LEU 44 2HD1 LEU 44 7.319 11.309 5.189 272 HD13 LEU 44 3HD1 LEU 44 8.232 10.589 6.516 273 HD21 LEU 44 3HD2 LEU 44 7.504 7.868 6.823 274 HD22 LEU 44 1HD2 LEU 44 8.333 8.673 5.490 275 HD23 LEU 44 2HD2 LEU 44 6.947 7.631 5.166 276 H LYS 45 H LYS 45 3.042 7.695 7.175 277 HA LYS 45 HA LYS 45 2.663 7.159 4.446 278 HB2 LYS 45 1HB LYS 45 1.713 5.991 7.002 279 HB3 LYS 45 2HB LYS 45 0.774 5.603 5.567 280 HG2 LYS 45 1HG LYS 45 2.659 4.616 4.502 281 HG3 LYS 45 2HG LYS 45 3.749 5.208 5.757 282 HD2 LYS 45 1HD LYS 45 1.490 3.509 6.639 283 HD3 LYS 45 2HD LYS 45 2.777 2.715 5.729 284 HE2 LYS 45 1HE LYS 45 4.346 3.976 7.379 285 HE3 LYS 45 2HE LYS 45 2.898 4.099 8.377 286 HZ1 LYS 45 3HZ LYS 45 4.622 1.961 8.224 287 HZ2 LYS 45 1HZ LYS 45 3.237 1.456 7.395 288 HZ3 LYS 45 2HZ LYS 45 3.116 1.995 8.994 289 H ARG 46 H ARG 46 0.278 8.164 6.901 290 HA ARG 46 HA ARG 46 -2.021 8.335 5.573 291 HB2 ARG 46 1HB ARG 46 -0.803 10.471 7.323 292 HB3 ARG 46 2HB ARG 46 -2.472 10.522 6.771 293 HG2 ARG 46 1HG ARG 46 -3.015 8.541 7.968 294 HG3 ARG 46 2HG ARG 46 -1.317 8.231 8.336 295 HD2 ARG 46 1HD ARG 46 -2.289 9.132 10.302 296 HD3 ARG 46 2HD ARG 46 -1.303 10.409 9.592 297 HE ARG 46 HE ARG 46 -4.199 10.345 9.799 298 HH11 ARG 46 2HH1 ARG 46 -1.374 11.870 8.453 299 HH12 ARG 46 1HH1 ARG 46 -2.187 13.358 8.096 300 HH21 ARG 46 2HH2 ARG 46 -5.281 12.299 9.334 301 HH22 ARG 46 1HH2 ARG 46 -4.409 13.601 8.598 302 H ALA 47 H ALA 47 0.678 10.570 5.113 303 HA ALA 47 HA ALA 47 -0.725 12.166 3.176 304 HB1 ALA 47 3HB ALA 47 1.029 13.586 3.295 305 HB2 ALA 47 1HB ALA 47 1.371 12.683 4.772 306 HB3 ALA 47 2HB ALA 47 2.223 12.288 3.278 307 H GLY 48 H GLY 48 -0.983 11.711 1.093 308 HA2 GLY 48 1HA GLY 48 -0.782 10.653 -0.936 309 HA3 GLY 48 2HA GLY 48 0.948 10.817 -0.673 310 H TRP 49 H TRP 49 -1.634 8.834 0.787 311 HA TRP 49 HA TRP 49 0.150 6.555 0.868 312 HB2 TRP 49 1HB TRP 49 -1.375 7.034 2.752 313 HB3 TRP 49 2HB TRP 49 -2.755 6.780 1.687 314 HD1 TRP 49 HD1 TRP 49 0.233 4.781 3.129 315 HE1 TRP 49 HE1 TRP 49 -0.485 2.318 3.335 316 HE3 TRP 49 HE3 TRP 49 -4.400 5.105 0.992 317 HZ2 TRP 49 HZ2 TRP 49 -2.719 0.723 2.677 318 HZ3 TRP 49 HZ3 TRP 49 -5.763 3.065 0.818 319 HH2 TRP 49 HH2 TRP 49 -4.939 0.920 1.643 320 H GLN 50 H GLN 50 -0.049 4.673 -0.296 321 HA GLN 50 HA GLN 50 -2.075 4.641 -2.430 322 HB2 GLN 50 1HB GLN 50 0.884 4.316 -2.618 323 HB3 GLN 50 2HB GLN 50 -0.129 3.366 -3.697 324 HG2 GLN 50 1HG GLN 50 -1.249 5.621 -4.256 325 HG3 GLN 50 2HG GLN 50 0.196 6.332 -3.541 326 HE21 GLN 50 1HE2 GLN 50 -0.666 3.755 -5.826 327 HE22 GLN 50 2HE2 GLN 50 0.564 4.132 -6.979 328 H CYS 51 H CYS 51 -3.393 2.999 -2.018 329 HA CYS 51 HA CYS 51 -3.040 0.900 -0.305 330 HB2 CYS 51 1HB CYS 51 -4.958 -0.057 -1.219 331 HB3 CYS 51 2HB CYS 51 -5.128 1.637 -1.667 332 HA PRO 52 HA PRO 52 -0.229 -1.982 -2.051 333 HB2 PRO 52 1HB PRO 52 -1.313 -4.346 -1.273 334 HB3 PRO 52 2HB PRO 52 -0.512 -3.241 -0.150 335 HG2 PRO 52 1HG PRO 52 -3.435 -3.618 -0.676 336 HG3 PRO 52 2HG PRO 52 -2.593 -3.420 0.872 337 HD2 PRO 52 1HD PRO 52 -3.907 -1.388 -0.342 338 HD3 PRO 52 2HD PRO 52 -2.457 -1.130 0.649 339 H GLU 53 H GLU 53 -3.353 -1.663 -3.204 340 HA GLU 53 HA GLU 53 -3.104 -3.809 -5.176 341 HB2 GLU 53 1HB GLU 53 -5.401 -1.886 -4.787 342 HB3 GLU 53 2HB GLU 53 -5.407 -3.367 -5.734 343 HG2 GLU 53 1HG GLU 53 -4.752 -3.571 -2.850 344 HG3 GLU 53 2HG GLU 53 -6.425 -3.247 -3.301 345 H CYS 54 H CYS 54 -2.698 -0.417 -4.840 346 HA CYS 54 HA CYS 54 -2.545 -0.101 -7.764 347 HB2 CYS 54 1HB CYS 54 -3.019 1.934 -5.581 348 HB3 CYS 54 2HB CYS 54 -2.703 2.366 -7.258 349 H LYS 55 H LYS 55 -0.841 0.289 -4.738 350 HA LYS 55 HA LYS 55 1.356 1.778 -5.619 351 HB2 LYS 55 1HB LYS 55 1.130 1.529 -3.292 352 HB3 LYS 55 2HB LYS 55 0.986 -0.220 -3.403 353 HG2 LYS 55 1HG LYS 55 3.315 -0.440 -3.921 354 HG3 LYS 55 2HG LYS 55 3.499 1.312 -4.033 355 HD2 LYS 55 1HD LYS 55 4.256 1.007 -1.905 356 HD3 LYS 55 2HD LYS 55 2.534 1.186 -1.561 357 HE2 LYS 55 1HE LYS 55 3.778 -1.499 -2.073 358 HE3 LYS 55 2HE LYS 55 3.778 -0.769 -0.468 359 HZ1 LYS 55 3HZ LYS 55 1.189 -0.618 -1.561 360 HZ2 LYS 55 1HZ LYS 55 1.705 -1.440 -0.175 361 HZ3 LYS 55 2HZ LYS 55 1.736 -2.214 -1.679 362 H VAL 56 H VAL 56 3.270 1.266 -6.577 363 HA VAL 56 HA VAL 56 3.806 -1.545 -7.221 364 HB VAL 56 HB VAL 56 4.311 -1.048 -9.534 365 HG11 VAL 56 1HG1 VAL 56 1.601 0.113 -8.921 366 HG12 VAL 56 2HG1 VAL 56 2.102 -0.762 -10.369 367 HG13 VAL 56 3HG1 VAL 56 1.967 -1.609 -8.828 368 HG21 VAL 56 3HG2 VAL 56 3.227 1.453 -10.049 369 HG22 VAL 56 1HG2 VAL 56 4.194 1.688 -8.593 370 HG23 VAL 56 2HG2 VAL 56 4.938 1.028 -10.049 371 H CYS 57 H CYS 57 6.041 -1.708 -8.323 372 HA CYS 57 HA CYS 57 7.974 -0.732 -6.536 373 HB2 CYS 57 1HB CYS 57 8.209 -2.792 -7.924 374 HB3 CYS 57 2HB CYS 57 8.436 -1.769 -9.339 375 H GLN 58 H GLN 58 8.778 1.242 -6.355 376 HA GLN 58 HA GLN 58 8.398 3.208 -8.419 377 HB2 GLN 58 1HB GLN 58 9.647 3.260 -5.683 378 HB3 GLN 58 2HB GLN 58 9.760 4.640 -6.767 379 HG2 GLN 58 1HG GLN 58 7.095 3.441 -6.171 380 HG3 GLN 58 2HG GLN 58 7.862 4.513 -5.000 381 HE21 GLN 58 1HE2 GLN 58 5.989 4.316 -7.786 382 HE22 GLN 58 2HE2 GLN 58 5.994 5.989 -8.214 383 H ASN 59 H ASN 59 10.451 0.776 -8.360 384 HA ASN 59 HA ASN 59 12.775 2.325 -9.281 385 HB2 ASN 59 1HB ASN 59 12.609 -0.575 -8.430 386 HB3 ASN 59 2HB ASN 59 14.074 0.256 -8.945 387 HD21 ASN 59 1HD2 ASN 59 13.370 -1.046 -6.402 388 HD22 ASN 59 2HD2 ASN 59 13.607 0.158 -5.185 389 H CYS 60 H CYS 60 10.587 -0.306 -10.137 390 HA CYS 60 HA CYS 60 11.537 -0.091 -12.919 391 HB2 CYS 60 1HB CYS 60 11.172 -2.424 -13.248 392 HB3 CYS 60 2HB CYS 60 12.096 -2.265 -11.758 393 H LYS 61 H LYS 61 8.887 -0.043 -10.736 394 HA LYS 61 HA LYS 61 6.678 0.435 -10.992 395 HB2 LYS 61 1HB LYS 61 7.691 1.344 -13.684 396 HB3 LYS 61 2HB LYS 61 6.011 1.521 -13.194 397 HG2 LYS 61 1HG LYS 61 7.202 3.584 -12.830 398 HG3 LYS 61 2HG LYS 61 6.729 2.883 -11.281 399 HD2 LYS 61 1HD LYS 61 8.880 2.412 -10.682 400 HD3 LYS 61 2HD LYS 61 9.407 2.175 -12.350 401 HE2 LYS 61 1HE LYS 61 8.700 4.862 -11.184 402 HE3 LYS 61 2HE LYS 61 10.338 4.210 -11.209 403 HZ1 LYS 61 3HZ LYS 61 8.734 5.275 -13.386 404 HZ2 LYS 61 1HZ LYS 61 9.672 3.918 -13.757 405 HZ3 LYS 61 2HZ LYS 61 10.409 5.315 -13.154 406 H GLN 62 H GLN 62 7.121 -2.165 -11.117 407 HA GLN 62 HA GLN 62 5.298 -3.074 -13.233 408 HB2 GLN 62 1HB GLN 62 7.804 -4.513 -12.344 409 HB3 GLN 62 2HB GLN 62 6.615 -5.142 -13.477 410 HG2 GLN 62 1HG GLN 62 7.107 -3.138 -14.922 411 HG3 GLN 62 2HG GLN 62 8.469 -2.810 -13.852 412 HE21 GLN 62 1HE2 GLN 62 9.130 -3.146 -16.359 413 HE22 GLN 62 2HE2 GLN 62 9.829 -4.698 -16.653 414 H SER 63 H SER 63 3.514 -3.584 -12.131 415 HA SER 63 HA SER 63 3.630 -4.652 -9.456 416 HB2 SER 63 1HB SER 63 1.281 -4.414 -9.411 417 HB3 SER 63 2HB SER 63 1.842 -3.062 -10.394 418 HG SER 63 HG SER 63 0.483 -3.828 -11.803 419 H GLY 64 H GLY 64 3.192 -6.715 -8.792 420 HA2 GLY 64 1HA GLY 64 1.945 -8.777 -10.038 421 HA3 GLY 64 2HA GLY 64 3.545 -8.792 -10.764 422 H GLU 65 H GLU 65 5.308 -8.433 -8.888 423 HA GLU 65 HA GLU 65 4.988 -10.759 -7.191 424 HB2 GLU 65 1HB GLU 65 7.280 -8.953 -7.891 425 HB3 GLU 65 2HB GLU 65 7.401 -10.045 -6.519 426 HG2 GLU 65 1HG GLU 65 8.340 -10.874 -8.706 427 HG3 GLU 65 2HG GLU 65 7.217 -11.949 -7.876 428 H ASP 66 H ASP 66 4.075 -10.597 -5.263 429 HA ASP 66 HA ASP 66 4.118 -8.041 -3.846 430 HB2 ASP 66 1HB ASP 66 2.033 -9.602 -4.235 431 HB3 ASP 66 2HB ASP 66 2.667 -10.452 -2.829 432 H SER 67 H SER 67 4.685 -11.484 -3.106 433 HA SER 67 HA SER 67 5.697 -11.240 -0.563 434 HB2 SER 67 1HB SER 67 5.299 -13.421 -1.490 435 HB3 SER 67 2HB SER 67 6.494 -13.160 -2.761 436 HG SER 67 HG SER 67 7.631 -12.782 -0.364 437 H LYS 68 H LYS 68 7.678 -11.394 -3.529 438 HA LYS 68 HA LYS 68 10.116 -10.774 -2.319 439 HB2 LYS 68 1HB LYS 68 9.180 -10.250 -5.145 440 HB3 LYS 68 2HB LYS 68 10.851 -10.118 -4.611 441 HG2 LYS 68 1HG LYS 68 11.082 -12.403 -4.333 442 HG3 LYS 68 2HG LYS 68 9.340 -12.666 -4.213 443 HD2 LYS 68 1HD LYS 68 9.144 -12.015 -6.611 444 HD3 LYS 68 2HD LYS 68 10.906 -11.946 -6.689 445 HE2 LYS 68 1HE LYS 68 10.790 -14.365 -5.765 446 HE3 LYS 68 2HE LYS 68 9.117 -14.318 -6.318 447 HZ1 LYS 68 3HZ LYS 68 11.505 -13.824 -8.015 448 HZ2 LYS 68 1HZ LYS 68 9.897 -13.805 -8.540 449 HZ3 LYS 68 2HZ LYS 68 10.591 -15.247 -7.995 450 H MET 69 H MET 69 7.681 -8.658 -3.783 451 HA MET 69 HA MET 69 9.035 -6.246 -3.687 452 HB2 MET 69 1HB MET 69 6.886 -6.449 -4.782 453 HB3 MET 69 2HB MET 69 6.097 -6.802 -3.250 454 HG2 MET 69 1HG MET 69 6.555 -4.570 -2.456 455 HG3 MET 69 2HG MET 69 7.459 -4.206 -3.924 456 HE1 MET 69 3HE MET 69 5.006 -2.476 -5.935 457 HE2 MET 69 1HE MET 69 6.618 -2.619 -5.234 458 HE3 MET 69 2HE MET 69 6.077 -3.782 -6.444 459 H LEU 70 H LEU 70 10.136 -5.514 -1.982 460 HA LEU 70 HA LEU 70 9.246 -6.000 0.720 461 HB2 LEU 70 1HB LEU 70 11.632 -4.738 -0.547 462 HB3 LEU 70 2HB LEU 70 11.284 -4.406 1.148 463 HG LEU 70 HG LEU 70 11.483 -7.230 0.172 464 HD11 LEU 70 1HD1 LEU 70 13.505 -6.091 -0.613 465 HD12 LEU 70 2HD1 LEU 70 13.855 -7.232 0.684 466 HD13 LEU 70 3HD1 LEU 70 13.803 -5.503 1.023 467 HD21 LEU 70 3HD2 LEU 70 10.907 -7.468 2.324 468 HD22 LEU 70 1HD2 LEU 70 11.340 -5.806 2.725 469 HD23 LEU 70 2HD2 LEU 70 12.588 -7.051 2.660 470 H VAL 71 H VAL 71 7.670 -4.814 1.565 471 HA VAL 71 HA VAL 71 7.235 -2.079 0.668 472 HB VAL 71 HB VAL 71 5.647 -3.776 2.598 473 HG11 VAL 71 1HG1 VAL 71 5.649 -1.031 2.401 474 HG12 VAL 71 2HG1 VAL 71 4.305 -1.508 1.362 475 HG13 VAL 71 3HG1 VAL 71 4.342 -2.021 3.049 476 HG21 VAL 71 3HG2 VAL 71 5.351 -4.764 0.510 477 HG22 VAL 71 1HG2 VAL 71 3.990 -3.649 0.627 478 HG23 VAL 71 2HG2 VAL 71 5.403 -3.218 -0.337 479 H CYS 72 H CYS 72 8.412 -0.544 1.608 480 HA CYS 72 HA CYS 72 9.790 -0.731 4.012 481 HB2 CYS 72 1HB CYS 72 10.250 0.976 2.297 482 HB3 CYS 72 2HB CYS 72 8.728 1.771 2.682 483 H ASP 73 H ASP 73 9.258 -0.526 6.095 484 HA ASP 73 HA ASP 73 6.479 -0.210 6.803 485 HB2 ASP 73 1HB ASP 73 8.978 -0.989 8.237 486 HB3 ASP 73 2HB ASP 73 7.622 -0.394 9.192 487 H THR 74 H THR 74 8.261 2.058 5.776 488 HA THR 74 HA THR 74 7.633 3.961 7.939 489 HB THR 74 HB THR 74 9.924 4.146 5.972 490 HG1 THR 74 HG1 THR 74 10.768 2.867 7.456 491 HG21 THR 74 3HG2 THR 74 9.015 6.341 6.557 492 HG22 THR 74 1HG2 THR 74 10.604 6.104 7.282 493 HG23 THR 74 2HG2 THR 74 9.152 5.949 8.271 494 H CYS 75 H CYS 75 8.357 3.909 4.442 495 HA CYS 75 HA CYS 75 6.408 6.064 4.060 496 HB2 CYS 75 1HB CYS 75 7.422 6.357 1.857 497 HB3 CYS 75 2HB CYS 75 8.658 6.389 3.110 498 H ASP 76 H ASP 76 7.195 2.808 2.926 499 HA ASP 76 HA ASP 76 5.848 1.155 2.106 500 HB2 ASP 76 1HB ASP 76 4.134 2.357 3.689 501 HB3 ASP 76 2HB ASP 76 3.439 2.934 2.177 502 H LYS 77 H LYS 77 7.297 2.505 0.332 503 HA LYS 77 HA LYS 77 5.595 3.465 -1.822 504 HB2 LYS 77 1HB LYS 77 8.567 3.343 -1.389 505 HB3 LYS 77 2HB LYS 77 7.901 3.679 -2.982 506 HG2 LYS 77 1HG LYS 77 6.524 5.479 -1.585 507 HG3 LYS 77 2HG LYS 77 7.947 5.358 -0.547 508 HD2 LYS 77 1HD LYS 77 9.397 6.001 -2.308 509 HD3 LYS 77 2HD LYS 77 8.129 5.801 -3.519 510 HE2 LYS 77 1HE LYS 77 6.942 7.700 -2.694 511 HE3 LYS 77 2HE LYS 77 7.996 7.818 -1.286 512 HZ1 LYS 77 3HZ LYS 77 8.386 9.381 -3.273 513 HZ2 LYS 77 1HZ LYS 77 9.119 8.041 -4.000 514 HZ3 LYS 77 2HZ LYS 77 9.725 8.649 -2.543 515 H GLY 78 H GLY 78 7.850 0.799 -1.189 516 HA2 GLY 78 1HA GLY 78 7.320 -1.417 -1.988 517 HA3 GLY 78 2HA GLY 78 6.552 -0.677 -3.385 518 H TYR 79 H TYR 79 9.191 -2.357 -2.419 519 HA TYR 79 HA TYR 79 10.651 -1.618 -4.828 520 HB2 TYR 79 1HB TYR 79 12.042 -1.717 -2.147 521 HB3 TYR 79 2HB TYR 79 12.764 -1.318 -3.702 522 HD1 TYR 79 HD2 TYR 79 11.764 0.766 -4.916 523 HD2 TYR 79 HD1 TYR 79 11.309 -0.010 -0.758 524 HE1 TYR 79 HE2 TYR 79 11.286 3.147 -4.530 525 HE2 TYR 79 HE1 TYR 79 10.829 2.369 -0.360 526 HH TYR 79 HH TYR 79 10.567 4.373 -1.272 527 H HIS 80 H HIS 80 11.172 -3.412 -5.873 528 HA HIS 80 HA HIS 80 10.859 -5.987 -4.689 529 HB2 HIS 80 1HB HIS 80 12.058 -5.213 -7.357 530 HB3 HIS 80 2HB HIS 80 11.599 -6.844 -6.877 531 HD2 HIS 80 HD2 HIS 80 8.606 -5.971 -5.648 532 HE1 HIS 80 HE1 HIS 80 7.931 -4.723 -9.646 533 HE2 HIS 80 HE2 HIS 80 6.870 -5.245 -7.422 534 H THR 81 H THR 81 12.353 -7.414 -3.963 535 HA THR 81 HA THR 81 14.692 -6.637 -2.806 536 HB THR 81 HB THR 81 15.445 -9.043 -3.001 537 HG1 THR 81 HG1 THR 81 12.925 -9.712 -3.997 538 HG21 THR 81 3HG2 THR 81 13.661 -7.943 -1.346 539 HG22 THR 81 1HG2 THR 81 14.078 -9.655 -1.284 540 HG23 THR 81 2HG2 THR 81 12.615 -9.133 -2.119 541 H PHE 82 H PHE 82 14.343 -7.997 -6.073 542 HA PHE 82 HA PHE 82 17.112 -7.821 -6.696 543 HB2 PHE 82 1HB PHE 82 16.229 -8.074 -9.096 544 HB3 PHE 82 2HB PHE 82 15.900 -9.386 -7.969 545 HD1 PHE 82 HD2 PHE 82 14.448 -6.571 -9.814 546 HD2 PHE 82 HD1 PHE 82 13.670 -9.877 -7.248 547 HE1 PHE 82 HE2 PHE 82 12.044 -6.376 -10.298 548 HE2 PHE 82 HE1 PHE 82 11.264 -9.688 -7.729 549 HZ PHE 82 HZ PHE 82 10.448 -7.935 -9.255 550 H CYS 83 H CYS 83 14.500 -5.575 -6.744 551 HA CYS 83 HA CYS 83 15.842 -3.729 -8.539 552 HB2 CYS 83 1HB CYS 83 13.228 -3.643 -7.039 553 HB3 CYS 83 2HB CYS 83 13.855 -2.244 -7.904 554 H LEU 84 H LEU 84 16.908 -4.555 -5.824 555 HA LEU 84 HA LEU 84 17.118 -1.867 -4.637 556 HB2 LEU 84 1HB LEU 84 17.408 -4.595 -3.398 557 HB3 LEU 84 2HB LEU 84 17.861 -3.103 -2.577 558 HG LEU 84 HG LEU 84 15.071 -3.699 -3.552 559 HD11 LEU 84 1HD1 LEU 84 15.607 -3.718 -0.670 560 HD12 LEU 84 2HD1 LEU 84 16.307 -5.070 -1.559 561 HD13 LEU 84 3HD1 LEU 84 14.572 -4.764 -1.644 562 HD21 LEU 84 3HD2 LEU 84 15.477 -1.837 -1.345 563 HD22 LEU 84 1HD2 LEU 84 14.502 -1.672 -2.806 564 HD23 LEU 84 2HD2 LEU 84 16.228 -1.311 -2.852 565 H GLN 85 H GLN 85 19.088 -0.950 -4.361 566 HA GLN 85 HA GLN 85 21.425 -2.519 -5.232 567 HB2 GLN 85 1HB GLN 85 20.483 -0.482 -6.645 568 HB3 GLN 85 2HB GLN 85 21.410 0.452 -5.479 569 HG2 GLN 85 1HG GLN 85 23.328 -1.194 -6.104 570 HG3 GLN 85 2HG GLN 85 22.358 -1.468 -7.550 571 HE21 GLN 85 1HE2 GLN 85 24.044 -0.571 -8.798 572 HE22 GLN 85 2HE2 GLN 85 24.279 1.139 -8.881 573 HA PRO 86 HA PRO 86 22.889 -3.506 -4.576 574 HB2 PRO 86 1HB PRO 86 23.378 -5.226 -2.533 575 HB3 PRO 86 2HB PRO 86 24.586 -4.089 -3.141 576 HG2 PRO 86 1HG PRO 86 22.812 -3.864 -0.741 577 HG3 PRO 86 2HG PRO 86 24.532 -3.464 -0.902 578 HD2 PRO 86 1HD PRO 86 22.587 -1.582 -0.970 579 HD3 PRO 86 2HD PRO 86 24.096 -1.429 -1.893 580 H VAL 87 H VAL 87 22.023 -5.821 -4.467 581 HA VAL 87 HA VAL 87 19.158 -5.670 -4.073 582 HB VAL 87 HB VAL 87 20.989 -7.662 -5.362 583 HG11 VAL 87 1HG1 VAL 87 18.071 -8.118 -4.746 584 HG12 VAL 87 2HG1 VAL 87 19.092 -9.152 -5.748 585 HG13 VAL 87 3HG1 VAL 87 19.429 -8.983 -4.025 586 HG21 VAL 87 3HG2 VAL 87 19.769 -7.168 -7.327 587 HG22 VAL 87 1HG2 VAL 87 18.480 -6.381 -6.417 588 HG23 VAL 87 2HG2 VAL 87 20.065 -5.619 -6.539 589 H MET 88 H MET 88 17.932 -7.096 -2.796 590 HA MET 88 HA MET 88 19.287 -7.941 -0.375 591 HB2 MET 88 1HB MET 88 16.404 -7.695 -1.190 592 HB3 MET 88 2HB MET 88 16.860 -8.542 0.282 593 HG2 MET 88 1HG MET 88 17.702 -5.720 -0.298 594 HG3 MET 88 2HG MET 88 16.202 -6.124 0.532 595 HE1 MET 88 3HE MET 88 17.195 -5.686 3.901 596 HE2 MET 88 1HE MET 88 16.027 -5.644 2.580 597 HE3 MET 88 2HE MET 88 16.372 -7.165 3.403 598 H LYS 89 H LYS 89 19.560 -10.009 0.313 599 HA LYS 89 HA LYS 89 19.203 -12.099 -1.677 600 HB2 LYS 89 1HB LYS 89 20.520 -12.214 1.043 601 HB3 LYS 89 2HB LYS 89 20.583 -13.468 -0.189 602 HG2 LYS 89 1HG LYS 89 21.622 -10.689 -0.657 603 HG3 LYS 89 2HG LYS 89 22.614 -11.982 0.020 604 HD2 LYS 89 1HD LYS 89 22.678 -13.149 -1.947 605 HD3 LYS 89 2HD LYS 89 21.112 -12.537 -2.486 606 HE2 LYS 89 1HE LYS 89 22.704 -11.528 -3.898 607 HE3 LYS 89 2HE LYS 89 22.246 -10.281 -2.739 608 HZ1 LYS 89 3HZ LYS 89 24.435 -10.058 -2.450 609 HZ2 LYS 89 1HZ LYS 89 24.796 -11.552 -3.156 610 HZ3 LYS 89 2HZ LYS 89 24.342 -11.473 -1.529 611 H SER 90 H SER 90 18.120 -11.301 1.588 612 HA SER 90 HA SER 90 15.968 -13.276 1.275 613 HB2 SER 90 1HB SER 90 16.184 -13.866 3.675 614 HB3 SER 90 2HB SER 90 17.621 -14.295 2.748 615 HG SER 90 HG SER 90 18.379 -12.105 3.487 616 H VAL 91 H VAL 91 14.302 -12.907 3.143 617 HA VAL 91 HA VAL 91 13.684 -10.039 3.126 618 HB VAL 91 HB VAL 91 11.870 -12.377 3.738 619 HG11 VAL 91 1HG1 VAL 91 11.592 -9.535 4.133 620 HG12 VAL 91 2HG1 VAL 91 10.370 -10.140 3.013 621 HG13 VAL 91 3HG1 VAL 91 10.521 -10.847 4.623 622 HG21 VAL 91 3HG2 VAL 91 12.477 -12.456 1.427 623 HG22 VAL 91 1HG2 VAL 91 10.849 -11.787 1.532 624 HG23 VAL 91 2HG2 VAL 91 12.223 -10.720 1.245 625 HA PRO 92 HA PRO 92 14.843 -10.010 7.439 626 HB2 PRO 92 1HB PRO 92 14.337 -7.371 7.826 627 HB3 PRO 92 2HB PRO 92 15.793 -7.962 7.015 628 HG2 PRO 92 1HG PRO 92 13.265 -6.889 5.824 629 HG3 PRO 92 2HG PRO 92 14.945 -6.566 5.360 630 HD2 PRO 92 1HD PRO 92 13.372 -8.309 4.012 631 HD3 PRO 92 2HD PRO 92 15.126 -8.530 4.168 632 H THR 93 H THR 93 13.643 -10.510 9.161 633 HA THR 93 HA THR 93 10.791 -9.774 9.136 634 HB THR 93 HB THR 93 10.418 -11.686 10.641 635 HG1 THR 93 HG1 THR 93 13.202 -11.751 10.558 636 HG21 THR 93 3HG2 THR 93 10.148 -13.036 8.876 637 HG22 THR 93 1HG2 THR 93 11.882 -13.104 8.563 638 HG23 THR 93 2HG2 THR 93 10.922 -11.769 7.924 639 H ASN 94 H ASN 94 12.588 -7.862 10.017 640 HA ASN 94 HA ASN 94 11.956 -7.777 12.887 641 HB2 ASN 94 1HB ASN 94 14.104 -6.791 13.391 642 HB3 ASN 94 2HB ASN 94 14.369 -8.307 12.535 643 HD21 ASN 94 1HD2 ASN 94 14.577 -8.056 10.116 644 HD22 ASN 94 2HD2 ASN 94 15.533 -6.729 9.558 645 H GLY 95 H GLY 95 13.087 -5.804 10.138 646 HA2 GLY 95 1HA GLY 95 11.001 -4.019 10.047 647 HA3 GLY 95 2HA GLY 95 12.092 -3.367 11.261 648 H TRP 96 H TRP 96 11.722 -4.190 7.875 649 HA TRP 96 HA TRP 96 14.298 -3.217 7.094 650 HB2 TRP 96 1HB TRP 96 12.952 -4.918 5.817 651 HB3 TRP 96 2HB TRP 96 11.868 -3.614 5.339 652 HD1 TRP 96 HD1 TRP 96 15.544 -4.716 4.895 653 HE1 TRP 96 HE1 TRP 96 16.423 -3.703 2.699 654 HE3 TRP 96 HE3 TRP 96 11.498 -1.851 3.646 655 HZ2 TRP 96 HZ2 TRP 96 15.522 -1.925 0.701 656 HZ3 TRP 96 HZ3 TRP 96 11.587 -0.524 1.576 657 HH2 TRP 96 HH2 TRP 96 13.559 -0.560 0.136 658 H LYS 97 H LYS 97 14.809 -1.296 6.035 659 HA LYS 97 HA LYS 97 12.747 0.780 5.920 660 HB2 LYS 97 1HB LYS 97 14.166 0.807 8.104 661 HB3 LYS 97 2HB LYS 97 15.439 1.442 7.071 662 HG2 LYS 97 1HG LYS 97 14.264 3.401 6.619 663 HG3 LYS 97 2HG LYS 97 12.725 2.706 7.133 664 HD2 LYS 97 1HD LYS 97 13.649 4.325 8.761 665 HD3 LYS 97 2HD LYS 97 13.447 2.707 9.438 666 HE2 LYS 97 1HE LYS 97 15.832 2.269 9.069 667 HE3 LYS 97 2HE LYS 97 16.026 3.894 8.414 668 HZ1 LYS 97 3HZ LYS 97 15.103 4.654 10.650 669 HZ2 LYS 97 1HZ LYS 97 16.693 4.076 10.617 670 HZ3 LYS 97 2HZ LYS 97 15.447 3.090 11.196 671 H CYS 98 H CYS 98 12.824 1.851 4.058 672 HA CYS 98 HA CYS 98 14.924 1.333 2.172 673 HB2 CYS 98 1HB CYS 98 13.557 2.330 0.584 674 HB3 CYS 98 2HB CYS 98 12.377 1.734 1.747 675 H LYS 99 H LYS 99 16.485 2.705 1.415 676 HA LYS 99 HA LYS 99 17.787 4.438 3.033 677 HB2 LYS 99 1HB LYS 99 18.530 3.599 0.768 678 HB3 LYS 99 2HB LYS 99 17.567 4.886 0.055 679 HG2 LYS 99 1HG LYS 99 18.979 6.404 1.662 680 HG3 LYS 99 2HG LYS 99 20.105 5.045 1.598 681 HD2 LYS 99 1HD LYS 99 20.383 5.249 -0.729 682 HD3 LYS 99 2HD LYS 99 18.961 6.283 -0.891 683 HE2 LYS 99 1HE LYS 99 20.669 7.821 -1.046 684 HE3 LYS 99 2HE LYS 99 20.294 7.884 0.675 685 HZ1 LYS 99 3HZ LYS 99 22.207 6.767 1.225 686 HZ2 LYS 99 1HZ LYS 99 22.739 7.667 -0.105 687 HZ3 LYS 99 2HZ LYS 99 22.361 6.029 -0.289 688 H ASN 100 H ASN 100 15.612 5.565 0.434 689 HA ASN 100 HA ASN 100 15.509 8.202 0.804 690 HB2 ASN 100 1HB ASN 100 13.174 6.329 0.423 691 HB3 ASN 100 2HB ASN 100 13.004 8.080 0.352 692 HD21 ASN 100 1HD2 ASN 100 13.841 9.202 -1.379 693 HD22 ASN 100 2HD2 ASN 100 14.386 8.420 -2.821 694 H CYS 101 H CYS 101 14.089 5.840 2.990 695 HA CYS 101 HA CYS 101 12.973 7.895 4.704 696 HB2 CYS 101 1HB CYS 101 12.986 4.892 4.736 697 HB3 CYS 101 2HB CYS 101 12.513 5.793 6.172 698 H ARG 102 H ARG 102 15.522 5.426 4.904 699 HA ARG 102 HA ARG 102 16.428 5.789 7.453 700 HB2 ARG 102 1HB ARG 102 18.263 5.500 5.072 701 HB3 ARG 102 2HB ARG 102 18.571 4.982 6.724 702 HG2 ARG 102 1HG ARG 102 16.582 3.429 6.450 703 HG3 ARG 102 2HG ARG 102 16.673 3.798 4.726 704 HD2 ARG 102 1HD ARG 102 17.932 1.848 4.947 705 HD3 ARG 102 2HD ARG 102 19.142 3.130 4.917 706 HE ARG 102 HE ARG 102 18.258 2.314 7.550 707 HH11 ARG 102 2HH1 ARG 102 20.590 1.911 4.996 708 HH12 ARG 102 1HH1 ARG 102 21.801 1.232 6.032 709 HH21 ARG 102 2HH2 ARG 102 19.845 1.422 8.924 710 HH22 ARG 102 1HH2 ARG 102 21.376 0.954 8.266 711 H ILE 103 H ILE 103 16.978 7.867 4.673 712 HA ILE 103 HA ILE 103 18.990 9.494 5.232 713 HB ILE 103 HB ILE 103 16.212 10.509 4.616 714 HG12 ILE 103 1HG1 ILE 103 16.854 8.933 2.940 715 HG13 ILE 103 2HG1 ILE 103 17.125 10.532 2.258 716 HG21 ILE 103 1HG2 ILE 103 18.727 11.904 3.817 717 HG22 ILE 103 2HG2 ILE 103 17.103 12.554 4.039 718 HG23 ILE 103 3HG2 ILE 103 18.081 12.128 5.443 719 HD11 ILE 103 3HD1 ILE 103 19.517 10.323 2.812 720 HD12 ILE 103 1HD1 ILE 103 19.212 8.684 3.388 721 HD13 ILE 103 2HD1 ILE 103 18.954 9.085 1.690 722 H CYS 104 H CYS 104 19.746 10.672 6.864 723 HA CYS 104 HA CYS 104 18.147 10.962 9.263 724 HB2 CYS 104 1HB CYS 104 20.688 10.338 9.061 725 HB3 CYS 104 2HB CYS 104 20.911 12.081 8.973 726 HG CYS 104 HG CYS 104 21.407 11.727 11.560 727 H ILE 105 H ILE 105 17.434 12.854 10.149 728 HA ILE 105 HA ILE 105 17.191 15.100 8.346 729 HB ILE 105 HB ILE 105 15.294 14.320 9.766 730 HG12 ILE 105 1HG1 ILE 105 15.918 17.131 10.586 731 HG13 ILE 105 2HG1 ILE 105 15.752 16.755 8.875 732 HG21 ILE 105 1HG2 ILE 105 16.467 13.770 11.792 733 HG22 ILE 105 2HG2 ILE 105 16.989 15.443 11.990 734 HG23 ILE 105 3HG2 ILE 105 15.282 15.028 12.143 735 HD11 ILE 105 3HD1 ILE 105 13.531 16.563 9.012 736 HD12 ILE 105 1HD1 ILE 105 13.595 15.719 10.559 737 HD13 ILE 105 2HD1 ILE 105 13.720 17.478 10.508 738 H SER 106 H SER 106 17.682 17.301 8.985 739 HA SER 106 HA SER 106 20.092 17.431 10.672 740 HB2 SER 106 1HB SER 106 20.603 18.022 8.391 741 HB3 SER 106 2HB SER 106 19.240 19.139 8.325 742 HG SER 106 HG SER 106 21.352 19.444 10.180 743 H GLY 107 H GLY 107 17.148 19.204 9.776 744 HA2 GLY 107 1HA GLY 107 17.498 21.041 12.004 745 HA3 GLY 107 2HA GLY 107 16.211 21.083 10.808 746 HA PRO 108 HA PRO 108 15.048 18.844 14.917 747 HB2 PRO 108 1HB PRO 108 14.216 20.924 16.450 748 HB3 PRO 108 2HB PRO 108 15.870 20.304 16.489 749 HG2 PRO 108 1HG PRO 108 14.773 22.684 15.042 750 HG3 PRO 108 2HG PRO 108 16.284 22.530 15.958 751 HD2 PRO 108 1HD PRO 108 16.200 22.408 13.254 752 HD3 PRO 108 2HD PRO 108 17.382 21.496 14.215 753 H SER 109 H SER 109 13.282 18.014 13.861 754 HA SER 109 HA SER 109 11.101 19.738 13.048 755 HB2 SER 109 1HB SER 109 10.079 17.701 12.173 756 HB3 SER 109 2HB SER 109 11.765 17.792 11.666 757 HG SER 109 HG SER 109 12.022 15.938 12.596 758 H SER 110 H SER 110 11.573 17.068 15.351 759 HA SER 110 HA SER 110 9.015 17.707 16.612 760 HB2 SER 110 1HB SER 110 9.351 15.618 17.874 761 HB3 SER 110 2HB SER 110 9.480 15.344 16.137 762 HG SER 110 HG SER 110 11.889 15.850 16.790 763 H GLY 111 H GLY 111 12.472 17.625 17.307 764 HA2 GLY 111 1HA GLY 111 13.621 18.977 18.819 765 HA3 GLY 111 2HA GLY 111 12.080 19.529 19.459 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -34.814 2.947 -8.374 2 HA2 GLY 1 1HA GLY 1 -34.425 5.657 -9.033 3 HA3 GLY 1 2HA GLY 1 -33.990 5.420 -7.347 4 H SER 2 H SER 2 -31.822 5.974 -7.860 5 HA SER 2 HA SER 2 -30.180 4.945 -9.778 6 HB2 SER 2 1HB SER 2 -28.320 5.458 -8.357 7 HB3 SER 2 2HB SER 2 -29.578 6.644 -8.006 8 HG SER 2 HG SER 2 -30.169 5.012 -6.282 9 H SER 3 H SER 3 -28.581 3.239 -9.764 10 HA SER 3 HA SER 3 -29.383 0.906 -8.153 11 HB2 SER 3 1HB SER 3 -30.169 0.603 -10.447 12 HB3 SER 3 2HB SER 3 -28.549 0.926 -11.064 13 HG SER 3 HG SER 3 -28.403 -1.179 -10.921 14 H GLY 4 H GLY 4 -27.739 -0.519 -7.524 15 HA2 GLY 4 1HA GLY 4 -25.624 -1.113 -6.858 16 HA3 GLY 4 2HA GLY 4 -25.047 -0.335 -8.324 17 H SER 5 H SER 5 -26.234 0.456 -5.064 18 HA SER 5 HA SER 5 -24.338 2.713 -5.035 19 HB2 SER 5 1HB SER 5 -26.716 3.394 -4.891 20 HB3 SER 5 2HB SER 5 -26.894 2.411 -3.438 21 HG SER 5 HG SER 5 -25.120 4.606 -3.751 22 H SER 6 H SER 6 -22.559 1.993 -4.032 23 HA SER 6 HA SER 6 -22.864 0.951 -1.312 24 HB2 SER 6 1HB SER 6 -21.489 -0.404 -3.595 25 HB3 SER 6 2HB SER 6 -20.800 -0.564 -1.980 26 HG SER 6 HG SER 6 -23.510 -0.949 -2.054 27 H GLY 7 H GLY 7 -21.773 2.244 0.002 28 HA2 GLY 7 1HA GLY 7 -19.915 4.179 -0.893 29 HA3 GLY 7 2HA GLY 7 -20.223 3.748 0.782 30 H ALA 8 H ALA 8 -17.693 4.418 -0.005 31 HA ALA 8 HA ALA 8 -16.148 2.097 -0.676 32 HB1 ALA 8 3HB ALA 8 -14.630 4.229 0.559 33 HB2 ALA 8 1HB ALA 8 -14.531 3.573 -1.075 34 HB3 ALA 8 2HB ALA 8 -15.707 4.834 -0.700 35 H ASN 9 H ASN 9 -16.385 0.489 0.817 36 HA ASN 9 HA ASN 9 -15.806 1.129 3.625 37 HB2 ASN 9 1HB ASN 9 -17.272 -1.137 2.298 38 HB3 ASN 9 2HB ASN 9 -16.673 -1.290 3.947 39 HD21 ASN 9 1HD2 ASN 9 -17.820 -0.437 5.564 40 HD22 ASN 9 2HD2 ASN 9 -19.242 0.525 5.368 41 H CYS 10 H CYS 10 -14.744 -0.877 4.770 42 HA CYS 10 HA CYS 10 -12.124 -1.106 3.712 43 HB2 CYS 10 1HB CYS 10 -12.854 -1.182 6.169 44 HB3 CYS 10 2HB CYS 10 -13.269 -2.867 5.872 45 H ALA 11 H ALA 11 -11.227 -2.600 2.435 46 HA ALA 11 HA ALA 11 -12.915 -4.686 1.340 47 HB1 ALA 11 3HB ALA 11 -10.201 -4.770 0.391 48 HB2 ALA 11 1HB ALA 11 -11.687 -4.413 -0.489 49 HB3 ALA 11 2HB ALA 11 -10.824 -3.121 0.346 50 H VAL 12 H VAL 12 -11.293 -4.542 4.094 51 HA VAL 12 HA VAL 12 -10.225 -7.282 3.911 52 HB VAL 12 HB VAL 12 -9.544 -5.087 5.872 53 HG11 VAL 12 1HG1 VAL 12 -9.333 -6.975 7.180 54 HG12 VAL 12 2HG1 VAL 12 -8.885 -8.000 5.816 55 HG13 VAL 12 3HG1 VAL 12 -7.722 -6.850 6.475 56 HG21 VAL 12 3HG2 VAL 12 -8.608 -5.442 3.331 57 HG22 VAL 12 1HG2 VAL 12 -7.734 -4.631 4.630 58 HG23 VAL 12 2HG2 VAL 12 -7.422 -6.332 4.284 59 H CYS 13 H CYS 13 -12.187 -5.090 5.869 60 HA CYS 13 HA CYS 13 -13.257 -7.432 7.303 61 HB2 CYS 13 1HB CYS 13 -13.757 -5.985 9.169 62 HB3 CYS 13 2HB CYS 13 -12.066 -5.767 8.727 63 H ASP 14 H ASP 14 -13.993 -4.607 5.419 64 HA ASP 14 HA ASP 14 -15.878 -4.054 4.250 65 HB2 ASP 14 1HB ASP 14 -16.169 -6.599 4.137 66 HB3 ASP 14 2HB ASP 14 -17.294 -6.414 5.480 67 H SER 15 H SER 15 -15.362 -2.739 6.548 68 HA SER 15 HA SER 15 -18.058 -2.206 7.571 69 HB2 SER 15 1HB SER 15 -16.423 -3.617 9.127 70 HB3 SER 15 2HB SER 15 -15.793 -2.014 9.504 71 HG SER 15 HG SER 15 -18.548 -2.662 9.628 72 HA PRO 16 HA PRO 16 -16.991 1.975 6.703 73 HB2 PRO 16 1HB PRO 16 -18.817 3.217 8.281 74 HB3 PRO 16 2HB PRO 16 -19.247 2.405 6.771 75 HG2 PRO 16 1HG PRO 16 -19.482 1.416 9.587 76 HG3 PRO 16 2HG PRO 16 -20.639 1.272 8.250 77 HD2 PRO 16 1HD PRO 16 -19.010 -0.760 8.991 78 HD3 PRO 16 2HD PRO 16 -19.523 -0.512 7.310 79 H GLY 17 H GLY 17 -17.682 1.379 10.161 80 HA2 GLY 17 1HA GLY 17 -16.750 2.371 12.037 81 HA3 GLY 17 2HA GLY 17 -15.271 1.788 11.289 82 H ASP 18 H ASP 18 -13.749 3.265 11.023 83 HA ASP 18 HA ASP 18 -14.569 6.085 10.781 84 HB2 ASP 18 1HB ASP 18 -13.125 5.142 12.801 85 HB3 ASP 18 2HB ASP 18 -11.810 5.351 11.647 86 H LEU 19 H LEU 19 -14.274 6.919 8.833 87 HA LEU 19 HA LEU 19 -12.632 5.607 6.871 88 HB2 LEU 19 1HB LEU 19 -14.427 7.994 6.891 89 HB3 LEU 19 2HB LEU 19 -13.309 7.754 5.550 90 HG LEU 19 HG LEU 19 -14.368 5.617 5.035 91 HD11 LEU 19 1HD1 LEU 19 -16.651 5.281 6.248 92 HD12 LEU 19 2HD1 LEU 19 -15.888 6.217 7.532 93 HD13 LEU 19 3HD1 LEU 19 -15.160 4.704 6.993 94 HD21 LEU 19 3HD2 LEU 19 -15.799 8.181 5.029 95 HD22 LEU 19 1HD2 LEU 19 -16.817 6.759 4.800 96 HD23 LEU 19 2HD2 LEU 19 -15.465 7.060 3.708 97 H LEU 20 H LEU 20 -12.543 8.707 8.595 98 HA LEU 20 HA LEU 20 -10.201 9.687 7.369 99 HB2 LEU 20 1HB LEU 20 -11.689 10.313 9.878 100 HB3 LEU 20 2HB LEU 20 -10.090 11.011 9.627 101 HG LEU 20 HG LEU 20 -12.333 11.345 7.648 102 HD11 LEU 20 1HD1 LEU 20 -12.066 12.511 10.267 103 HD12 LEU 20 2HD1 LEU 20 -13.365 12.681 9.088 104 HD13 LEU 20 3HD1 LEU 20 -11.963 13.747 9.014 105 HD21 LEU 20 3HD2 LEU 20 -9.835 11.733 7.106 106 HD22 LEU 20 1HD2 LEU 20 -10.011 13.178 8.103 107 HD23 LEU 20 2HD2 LEU 20 -11.009 12.974 6.663 108 H ASP 21 H ASP 21 -10.735 7.768 10.286 109 HA ASP 21 HA ASP 21 -8.151 7.814 11.327 110 HB2 ASP 21 1HB ASP 21 -10.357 6.789 12.274 111 HB3 ASP 21 2HB ASP 21 -9.824 5.326 11.450 112 H GLN 22 H GLN 22 -9.609 5.448 9.099 113 HA GLN 22 HA GLN 22 -7.109 4.090 8.699 114 HB2 GLN 22 1HB GLN 22 -8.332 2.721 7.099 115 HB3 GLN 22 2HB GLN 22 -9.255 2.893 8.586 116 HG2 GLN 22 1HG GLN 22 -10.574 4.690 7.484 117 HG3 GLN 22 2HG GLN 22 -9.723 4.324 5.983 118 HE21 GLN 22 1HE2 GLN 22 -12.510 3.837 7.553 119 HE22 GLN 22 2HE2 GLN 22 -12.986 2.317 6.883 120 H PHE 23 H PHE 23 -6.300 3.720 6.423 121 HA PHE 23 HA PHE 23 -5.757 6.287 5.237 122 HB2 PHE 23 1HB PHE 23 -4.882 3.526 4.361 123 HB3 PHE 23 2HB PHE 23 -4.230 5.051 3.771 124 HD1 PHE 23 HD2 PHE 23 -4.526 2.885 6.747 125 HD2 PHE 23 HD1 PHE 23 -2.542 6.192 4.946 126 HE1 PHE 23 HE2 PHE 23 -2.858 2.865 8.556 127 HE2 PHE 23 HE1 PHE 23 -0.870 6.177 6.751 128 HZ PHE 23 HZ PHE 23 -1.027 4.513 8.560 129 H PHE 24 H PHE 24 -5.919 6.636 2.880 130 HA PHE 24 HA PHE 24 -8.148 5.197 1.629 131 HB2 PHE 24 1HB PHE 24 -9.400 7.017 2.235 132 HB3 PHE 24 2HB PHE 24 -8.006 8.091 2.291 133 HD1 PHE 24 HD1 PHE 24 -10.152 6.233 -0.114 134 HD2 PHE 24 HD2 PHE 24 -7.667 9.617 0.590 135 HE1 PHE 24 HE1 PHE 24 -10.772 7.142 -2.315 136 HE2 PHE 24 HE2 PHE 24 -8.283 10.531 -1.609 137 HZ PHE 24 HZ PHE 24 -9.838 9.294 -3.065 138 H CYS 25 H CYS 25 -7.300 4.325 -0.140 139 HA CYS 25 HA CYS 25 -4.963 5.197 -1.425 140 HB2 CYS 25 1HB CYS 25 -5.996 2.895 -1.554 141 HB3 CYS 25 2HB CYS 25 -7.165 3.561 -2.691 142 H THR 26 H THR 26 -4.704 6.072 -3.565 143 HA THR 26 HA THR 26 -6.777 8.059 -4.185 144 HB THR 26 HB THR 26 -4.956 9.162 -5.538 145 HG1 THR 26 HG1 THR 26 -3.568 7.359 -5.749 146 HG21 THR 26 3HG2 THR 26 -4.097 8.858 -2.678 147 HG22 THR 26 1HG2 THR 26 -5.606 9.670 -3.095 148 HG23 THR 26 2HG2 THR 26 -4.071 10.298 -3.696 149 H THR 27 H THR 27 -4.857 5.470 -5.580 150 HA THR 27 HA THR 27 -5.646 5.866 -8.273 151 HB THR 27 HB THR 27 -4.720 3.311 -6.944 152 HG1 THR 27 HG1 THR 27 -2.945 4.481 -6.798 153 HG21 THR 27 3HG2 THR 27 -4.828 4.134 -9.848 154 HG22 THR 27 1HG2 THR 27 -5.771 2.858 -9.078 155 HG23 THR 27 2HG2 THR 27 -4.023 2.687 -9.240 156 H CYS 28 H CYS 28 -6.561 3.166 -6.127 157 HA CYS 28 HA CYS 28 -8.943 2.684 -7.688 158 HB2 CYS 28 1HB CYS 28 -9.262 0.749 -6.291 159 HB3 CYS 28 2HB CYS 28 -7.557 0.840 -6.722 160 H GLY 29 H GLY 29 -8.110 4.066 -4.570 161 HA2 GLY 29 1HA GLY 29 -9.373 5.596 -3.346 162 HA3 GLY 29 2HA GLY 29 -10.733 5.290 -4.415 163 H GLN 30 H GLN 30 -8.903 2.837 -2.673 164 HA GLN 30 HA GLN 30 -11.381 2.017 -1.355 165 HB2 GLN 30 1HB GLN 30 -8.798 0.659 -2.007 166 HB3 GLN 30 2HB GLN 30 -9.777 0.038 -0.685 167 HG2 GLN 30 1HG GLN 30 -10.797 0.450 -3.484 168 HG3 GLN 30 2HG GLN 30 -10.159 -1.076 -2.874 169 HE21 GLN 30 1HE2 GLN 30 -11.193 -1.319 -0.434 170 HE22 GLN 30 2HE2 GLN 30 -12.919 -1.360 -0.485 171 H HIS 31 H HIS 31 -11.132 1.145 0.915 172 HA HIS 31 HA HIS 31 -9.283 2.828 2.473 173 HB2 HIS 31 1HB HIS 31 -12.130 2.135 3.224 174 HB3 HIS 31 2HB HIS 31 -11.016 3.119 4.169 175 HD1 HIS 31 HD1 HIS 31 -13.800 4.114 3.075 176 HD2 HIS 31 HD2 HIS 31 -10.100 4.858 1.337 177 HE1 HIS 31 HE1 HIS 31 -14.109 6.197 1.700 178 HE2 HIS 31 HE2 HIS 31 -11.881 6.579 0.591 179 H TYR 32 H TYR 32 -8.394 1.926 4.321 180 HA TYR 32 HA TYR 32 -9.151 -0.754 5.129 181 HB2 TYR 32 1HB TYR 32 -6.307 -0.241 4.255 182 HB3 TYR 32 2HB TYR 32 -7.021 -1.774 4.743 183 HD1 TYR 32 HD2 TYR 32 -7.217 0.858 2.118 184 HD2 TYR 32 HD1 TYR 32 -7.933 -3.210 3.141 185 HE1 TYR 32 HE2 TYR 32 -7.754 0.368 -0.231 186 HE2 TYR 32 HE1 TYR 32 -8.472 -3.711 0.794 187 HH TYR 32 HH TYR 32 -7.635 -2.011 -1.687 188 H HIS 33 H HIS 33 -9.139 -0.779 7.268 189 HA HIS 33 HA HIS 33 -8.067 1.311 8.833 190 HB2 HIS 33 1HB HIS 33 -8.857 -1.446 9.789 191 HB3 HIS 33 2HB HIS 33 -8.779 0.028 10.749 192 HD2 HIS 33 HD2 HIS 33 -10.777 2.021 9.811 193 HE1 HIS 33 HE1 HIS 33 -13.388 -1.064 8.522 194 HE2 HIS 33 HE2 HIS 33 -13.151 1.398 8.995 195 H GLY 34 H GLY 34 -6.488 1.031 10.611 196 HA2 GLY 34 1HA GLY 34 -4.031 -0.006 9.579 197 HA3 GLY 34 2HA GLY 34 -4.269 0.730 11.157 198 H MET 35 H MET 35 -6.385 -1.134 11.922 199 HA MET 35 HA MET 35 -4.694 -3.218 12.945 200 HB2 MET 35 1HB MET 35 -6.701 -3.966 14.141 201 HB3 MET 35 2HB MET 35 -6.440 -2.239 14.346 202 HG2 MET 35 1HG MET 35 -8.265 -1.670 13.080 203 HG3 MET 35 2HG MET 35 -8.241 -3.180 12.173 204 HE1 MET 35 3HE MET 35 -8.227 -5.325 13.419 205 HE2 MET 35 1HE MET 35 -8.887 -5.611 15.030 206 HE3 MET 35 2HE MET 35 -9.951 -5.639 13.624 207 H CYS 36 H CYS 36 -6.976 -2.872 10.353 208 HA CYS 36 HA CYS 36 -7.491 -5.641 9.947 209 HB2 CYS 36 1HB CYS 36 -7.984 -3.123 8.438 210 HB3 CYS 36 2HB CYS 36 -8.022 -4.631 7.530 211 H LEU 37 H LEU 37 -4.908 -3.522 9.083 212 HA LEU 37 HA LEU 37 -3.707 -5.674 7.468 213 HB2 LEU 37 1HB LEU 37 -3.781 -2.724 7.046 214 HB3 LEU 37 2HB LEU 37 -2.376 -3.632 6.492 215 HG LEU 37 HG LEU 37 -4.171 -5.105 5.286 216 HD11 LEU 37 1HD1 LEU 37 -6.009 -3.479 4.482 217 HD12 LEU 37 2HD1 LEU 37 -5.656 -2.598 5.968 218 HD13 LEU 37 3HD1 LEU 37 -6.197 -4.275 6.044 219 HD21 LEU 37 3HD2 LEU 37 -2.496 -3.029 4.534 220 HD22 LEU 37 1HD2 LEU 37 -4.055 -2.607 3.826 221 HD23 LEU 37 2HD2 LEU 37 -3.314 -4.164 3.459 222 H ASP 38 H ASP 38 -3.512 -3.863 10.265 223 HA ASP 38 HA ASP 38 -1.973 -3.816 11.947 224 HB2 ASP 38 1HB ASP 38 -1.522 -6.197 11.096 225 HB3 ASP 38 2HB ASP 38 -0.132 -5.506 10.265 226 H ILE 39 H ILE 39 -2.056 -1.754 10.080 227 HA ILE 39 HA ILE 39 0.759 -1.058 9.620 228 HB ILE 39 HB ILE 39 -1.744 0.255 8.555 229 HG12 ILE 39 1HG1 ILE 39 0.313 -1.497 7.193 230 HG13 ILE 39 2HG1 ILE 39 -1.335 -1.968 7.595 231 HG21 ILE 39 1HG2 ILE 39 -0.334 1.647 7.237 232 HG22 ILE 39 2HG2 ILE 39 0.229 1.762 8.904 233 HG23 ILE 39 3HG2 ILE 39 1.109 0.768 7.743 234 HD11 ILE 39 3HD1 ILE 39 -1.676 0.323 6.114 235 HD12 ILE 39 1HD1 ILE 39 -0.323 -0.484 5.321 236 HD13 ILE 39 2HD1 ILE 39 -1.855 -1.333 5.534 237 H ALA 40 H ALA 40 1.694 0.735 10.512 238 HA ALA 40 HA ALA 40 0.334 1.866 12.822 239 HB1 ALA 40 3HB ALA 40 3.156 2.387 11.910 240 HB2 ALA 40 1HB ALA 40 2.465 2.679 13.507 241 HB3 ALA 40 2HB ALA 40 2.691 1.027 12.932 242 H VAL 41 H VAL 41 -0.825 3.658 12.627 243 HA VAL 41 HA VAL 41 -0.928 5.291 10.369 244 HB VAL 41 HB VAL 41 -1.678 6.031 13.201 245 HG11 VAL 41 1HG1 VAL 41 -1.926 7.411 10.617 246 HG12 VAL 41 2HG1 VAL 41 -3.394 7.375 11.595 247 HG13 VAL 41 3HG1 VAL 41 -1.909 8.061 12.256 248 HG21 VAL 41 3HG2 VAL 41 -3.264 4.727 10.993 249 HG22 VAL 41 1HG2 VAL 41 -2.832 4.030 12.554 250 HG23 VAL 41 2HG2 VAL 41 -3.968 5.376 12.473 251 H THR 42 H THR 42 1.121 5.953 9.735 252 HA THR 42 HA THR 42 2.618 7.675 11.577 253 HB THR 42 HB THR 42 4.115 6.131 10.680 254 HG1 THR 42 HG1 THR 42 5.262 7.425 8.974 255 HG21 THR 42 3HG2 THR 42 3.297 4.902 8.985 256 HG22 THR 42 1HG2 THR 42 4.052 6.109 7.945 257 HG23 THR 42 2HG2 THR 42 2.341 6.241 8.351 258 HA PRO 43 HA PRO 43 1.435 11.373 9.516 259 HB2 PRO 43 1HB PRO 43 3.631 12.902 9.978 260 HB3 PRO 43 2HB PRO 43 2.458 12.498 11.238 261 HG2 PRO 43 1HG PRO 43 5.114 11.247 10.652 262 HG3 PRO 43 2HG PRO 43 4.403 11.681 12.217 263 HD2 PRO 43 1HD PRO 43 4.397 9.145 11.266 264 HD3 PRO 43 2HD PRO 43 3.095 9.784 12.289 265 H LEU 44 H LEU 44 3.614 9.272 8.278 266 HA LEU 44 HA LEU 44 4.471 11.037 6.095 267 HB2 LEU 44 1HB LEU 44 6.106 9.577 7.403 268 HB3 LEU 44 2HB LEU 44 5.380 8.212 6.558 269 HG LEU 44 HG LEU 44 6.757 10.535 5.213 270 HD11 LEU 44 1HD1 LEU 44 7.735 7.902 6.194 271 HD12 LEU 44 2HD1 LEU 44 8.541 9.470 6.168 272 HD13 LEU 44 3HD1 LEU 44 8.379 8.537 4.680 273 HD21 LEU 44 3HD2 LEU 44 6.700 9.016 3.248 274 HD22 LEU 44 1HD2 LEU 44 5.105 9.549 3.778 275 HD23 LEU 44 2HD2 LEU 44 5.667 7.924 4.171 276 H LYS 45 H LYS 45 3.221 7.728 6.553 277 HA LYS 45 HA LYS 45 2.573 7.216 3.895 278 HB2 LYS 45 1HB LYS 45 1.385 6.194 6.471 279 HB3 LYS 45 2HB LYS 45 0.873 5.600 4.897 280 HG2 LYS 45 1HG LYS 45 3.053 4.746 4.430 281 HG3 LYS 45 2HG LYS 45 3.718 5.518 5.872 282 HD2 LYS 45 1HD LYS 45 1.900 4.089 7.103 283 HD3 LYS 45 2HD LYS 45 1.971 3.107 5.638 284 HE2 LYS 45 1HE LYS 45 4.594 3.371 6.127 285 HE3 LYS 45 2HE LYS 45 3.980 3.490 7.775 286 HZ1 LYS 45 3HZ LYS 45 2.887 1.381 7.519 287 HZ2 LYS 45 1HZ LYS 45 4.521 1.203 7.116 288 HZ3 LYS 45 2HZ LYS 45 3.352 1.279 5.896 289 H ARG 46 H ARG 46 0.440 8.411 6.490 290 HA ARG 46 HA ARG 46 -1.934 8.679 5.256 291 HB2 ARG 46 1HB ARG 46 -0.578 10.743 6.997 292 HB3 ARG 46 2HB ARG 46 -2.284 10.783 6.572 293 HG2 ARG 46 1HG ARG 46 -2.479 8.498 7.616 294 HG3 ARG 46 2HG ARG 46 -0.844 8.738 8.236 295 HD2 ARG 46 1HD ARG 46 -2.477 9.350 9.920 296 HD3 ARG 46 2HD ARG 46 -1.594 10.778 9.380 297 HE ARG 46 HE ARG 46 -3.749 10.871 7.812 298 HH11 ARG 46 2HH1 ARG 46 -3.436 10.325 11.236 299 HH12 ARG 46 1HH1 ARG 46 -4.973 11.027 11.620 300 HH21 ARG 46 2HH2 ARG 46 -5.774 11.798 8.305 301 HH22 ARG 46 1HH2 ARG 46 -6.302 11.864 9.952 302 H ALA 47 H ALA 47 0.761 10.969 4.907 303 HA ALA 47 HA ALA 47 -0.639 12.577 2.983 304 HB1 ALA 47 3HB ALA 47 0.855 13.925 4.013 305 HB2 ALA 47 1HB ALA 47 2.011 12.621 4.286 306 HB3 ALA 47 2HB ALA 47 1.900 13.385 2.699 307 H GLY 48 H GLY 48 -1.202 11.259 1.258 308 HA2 GLY 48 1HA GLY 48 -0.802 10.570 -0.927 309 HA3 GLY 48 2HA GLY 48 0.920 10.787 -0.651 310 H TRP 49 H TRP 49 -1.549 8.761 0.927 311 HA TRP 49 HA TRP 49 0.267 6.543 1.067 312 HB2 TRP 49 1HB TRP 49 -1.395 6.955 2.834 313 HB3 TRP 49 2HB TRP 49 -2.694 6.679 1.678 314 HD1 TRP 49 HD1 TRP 49 0.366 4.670 3.001 315 HE1 TRP 49 HE1 TRP 49 -0.365 2.217 3.270 316 HE3 TRP 49 HE3 TRP 49 -4.439 5.063 1.298 317 HZ2 TRP 49 HZ2 TRP 49 -2.673 0.655 2.819 318 HZ3 TRP 49 HZ3 TRP 49 -5.841 3.042 1.248 319 HH2 TRP 49 HH2 TRP 49 -4.975 0.884 1.993 320 H GLN 50 H GLN 50 -0.433 4.341 0.301 321 HA GLN 50 HA GLN 50 -2.091 4.286 -2.071 322 HB2 GLN 50 1HB GLN 50 0.887 4.089 -2.164 323 HB3 GLN 50 2HB GLN 50 -0.058 3.089 -3.259 324 HG2 GLN 50 1HG GLN 50 -1.252 5.359 -3.797 325 HG3 GLN 50 2HG GLN 50 0.247 6.045 -3.173 326 HE21 GLN 50 1HE2 GLN 50 -0.813 3.457 -5.361 327 HE22 GLN 50 2HE2 GLN 50 0.368 3.772 -6.581 328 H CYS 51 H CYS 51 -3.328 2.578 -1.687 329 HA CYS 51 HA CYS 51 -2.873 0.533 0.100 330 HB2 CYS 51 1HB CYS 51 -4.775 -0.494 -0.752 331 HB3 CYS 51 2HB CYS 51 -5.007 1.178 -1.253 332 HA PRO 52 HA PRO 52 0.032 -2.241 -1.665 333 HB2 PRO 52 1HB PRO 52 -0.913 -4.635 -0.799 334 HB3 PRO 52 2HB PRO 52 -0.132 -3.465 0.273 335 HG2 PRO 52 1HG PRO 52 -3.048 -3.992 -0.153 336 HG3 PRO 52 2HG PRO 52 -2.171 -3.717 1.363 337 HD2 PRO 52 1HD PRO 52 -3.616 -1.779 0.144 338 HD3 PRO 52 2HD PRO 52 -2.150 -1.429 1.082 339 H GLU 53 H GLU 53 -3.171 -2.154 -2.686 340 HA GLU 53 HA GLU 53 -2.849 -4.304 -4.640 341 HB2 GLU 53 1HB GLU 53 -5.226 -2.565 -3.963 342 HB3 GLU 53 2HB GLU 53 -5.232 -3.826 -5.188 343 HG2 GLU 53 1HG GLU 53 -4.490 -5.380 -3.270 344 HG3 GLU 53 2HG GLU 53 -5.064 -4.089 -2.216 345 H CYS 54 H CYS 54 -2.528 -0.926 -4.372 346 HA CYS 54 HA CYS 54 -2.549 -0.644 -7.305 347 HB2 CYS 54 1HB CYS 54 -3.146 1.373 -5.139 348 HB3 CYS 54 2HB CYS 54 -2.851 1.829 -6.814 349 H LYS 55 H LYS 55 -0.724 -0.329 -4.395 350 HA LYS 55 HA LYS 55 1.311 1.401 -5.307 351 HB2 LYS 55 1HB LYS 55 1.177 1.072 -2.974 352 HB3 LYS 55 2HB LYS 55 1.186 -0.680 -3.136 353 HG2 LYS 55 1HG LYS 55 3.496 -0.696 -3.704 354 HG3 LYS 55 2HG LYS 55 3.531 1.063 -3.850 355 HD2 LYS 55 1HD LYS 55 4.398 0.855 -1.751 356 HD3 LYS 55 2HD LYS 55 2.683 0.909 -1.339 357 HE2 LYS 55 1HE LYS 55 3.960 -1.724 -1.917 358 HE3 LYS 55 2HE LYS 55 4.248 -0.955 -0.356 359 HZ1 LYS 55 3HZ LYS 55 1.480 -0.995 -1.162 360 HZ2 LYS 55 1HZ LYS 55 2.181 -1.395 0.325 361 HZ3 LYS 55 2HZ LYS 55 2.145 -2.532 -0.927 362 H VAL 56 H VAL 56 3.258 1.025 -6.291 363 HA VAL 56 HA VAL 56 3.964 -1.717 -7.020 364 HB VAL 56 HB VAL 56 4.251 -1.229 -9.351 365 HG11 VAL 56 1HG1 VAL 56 1.997 -1.069 -10.046 366 HG12 VAL 56 2HG1 VAL 56 1.963 -1.830 -8.455 367 HG13 VAL 56 3HG1 VAL 56 1.549 -0.124 -8.626 368 HG21 VAL 56 3HG2 VAL 56 4.864 0.892 -9.791 369 HG22 VAL 56 1HG2 VAL 56 3.130 1.165 -9.961 370 HG23 VAL 56 2HG2 VAL 56 3.938 1.548 -8.441 371 H CYS 57 H CYS 57 6.129 -1.627 -8.328 372 HA CYS 57 HA CYS 57 8.076 -0.507 -6.627 373 HB2 CYS 57 1HB CYS 57 8.444 -2.525 -8.016 374 HB3 CYS 57 2HB CYS 57 8.421 -1.516 -9.459 375 H GLN 58 H GLN 58 9.646 1.119 -7.068 376 HA GLN 58 HA GLN 58 8.619 3.242 -8.825 377 HB2 GLN 58 1HB GLN 58 10.462 3.446 -6.438 378 HB3 GLN 58 2HB GLN 58 9.906 4.799 -7.413 379 HG2 GLN 58 1HG GLN 58 7.987 2.978 -6.006 380 HG3 GLN 58 2HG GLN 58 8.728 4.358 -5.197 381 HE21 GLN 58 1HE2 GLN 58 6.053 3.378 -6.767 382 HE22 GLN 58 2HE2 GLN 58 5.481 4.893 -7.371 383 H ASN 59 H ASN 59 11.235 1.091 -8.295 384 HA ASN 59 HA ASN 59 13.202 2.600 -9.747 385 HB2 ASN 59 1HB ASN 59 13.156 -0.312 -8.923 386 HB3 ASN 59 2HB ASN 59 14.549 0.524 -9.606 387 HD21 ASN 59 1HD2 ASN 59 13.135 -0.463 -6.812 388 HD22 ASN 59 2HD2 ASN 59 13.908 0.612 -5.702 389 H CYS 60 H CYS 60 11.299 -0.332 -10.427 390 HA CYS 60 HA CYS 60 11.968 -0.050 -13.271 391 HB2 CYS 60 1HB CYS 60 11.377 -2.342 -13.541 392 HB3 CYS 60 2HB CYS 60 12.352 -2.248 -12.078 393 H LYS 61 H LYS 61 9.322 -0.001 -11.002 394 HA LYS 61 HA LYS 61 7.167 0.705 -11.195 395 HB2 LYS 61 1HB LYS 61 7.947 1.579 -13.982 396 HB3 LYS 61 2HB LYS 61 6.531 2.105 -13.080 397 HG2 LYS 61 1HG LYS 61 9.181 2.545 -11.831 398 HG3 LYS 61 2HG LYS 61 8.752 3.547 -13.220 399 HD2 LYS 61 1HD LYS 61 6.480 3.774 -11.851 400 HD3 LYS 61 2HD LYS 61 7.568 3.450 -10.499 401 HE2 LYS 61 1HE LYS 61 8.978 5.318 -11.167 402 HE3 LYS 61 2HE LYS 61 7.943 5.621 -12.561 403 HZ1 LYS 61 3HZ LYS 61 7.235 5.927 -9.698 404 HZ2 LYS 61 1HZ LYS 61 6.099 5.992 -10.949 405 HZ3 LYS 61 2HZ LYS 61 7.335 7.143 -10.869 406 H GLN 62 H GLN 62 7.589 -1.949 -11.569 407 HA GLN 62 HA GLN 62 5.510 -2.612 -13.527 408 HB2 GLN 62 1HB GLN 62 8.140 -4.071 -13.221 409 HB3 GLN 62 2HB GLN 62 6.780 -4.652 -14.172 410 HG2 GLN 62 1HG GLN 62 6.950 -2.519 -15.501 411 HG3 GLN 62 2HG GLN 62 8.475 -2.224 -14.668 412 HE21 GLN 62 1HE2 GLN 62 6.861 -4.938 -16.298 413 HE22 GLN 62 2HE2 GLN 62 8.237 -5.420 -17.225 414 H SER 63 H SER 63 3.915 -3.210 -12.187 415 HA SER 63 HA SER 63 4.381 -4.570 -9.715 416 HB2 SER 63 1HB SER 63 2.057 -4.436 -9.369 417 HB3 SER 63 2HB SER 63 2.426 -2.997 -10.320 418 HG SER 63 HG SER 63 0.577 -4.265 -11.044 419 H GLY 64 H GLY 64 4.051 -6.702 -9.186 420 HA2 GLY 64 1HA GLY 64 2.771 -8.703 -10.490 421 HA3 GLY 64 2HA GLY 64 4.292 -8.584 -11.362 422 H GLU 65 H GLU 65 6.261 -8.467 -9.794 423 HA GLU 65 HA GLU 65 6.211 -10.900 -8.281 424 HB2 GLU 65 1HB GLU 65 8.293 -8.866 -8.971 425 HB3 GLU 65 2HB GLU 65 8.614 -10.017 -7.682 426 HG2 GLU 65 1HG GLU 65 7.825 -10.784 -10.481 427 HG3 GLU 65 2HG GLU 65 9.487 -10.701 -9.897 428 H ASP 66 H ASP 66 4.356 -9.560 -7.031 429 HA ASP 66 HA ASP 66 4.958 -7.716 -5.070 430 HB2 ASP 66 1HB ASP 66 3.025 -9.988 -4.630 431 HB3 ASP 66 2HB ASP 66 2.938 -8.349 -3.992 432 H SER 67 H SER 67 5.108 -11.258 -4.845 433 HA SER 67 HA SER 67 5.766 -11.579 -2.204 434 HB2 SER 67 1HB SER 67 6.813 -13.095 -4.604 435 HB3 SER 67 2HB SER 67 7.034 -13.622 -2.935 436 HG SER 67 HG SER 67 4.887 -13.904 -4.534 437 H LYS 68 H LYS 68 8.042 -11.025 -4.885 438 HA LYS 68 HA LYS 68 10.243 -10.672 -3.034 439 HB2 LYS 68 1HB LYS 68 10.231 -10.253 -6.025 440 HB3 LYS 68 2HB LYS 68 11.636 -10.472 -4.990 441 HG2 LYS 68 1HG LYS 68 11.154 -12.748 -4.640 442 HG3 LYS 68 2HG LYS 68 9.521 -12.582 -5.289 443 HD2 LYS 68 1HD LYS 68 10.447 -12.128 -7.507 444 HD3 LYS 68 2HD LYS 68 12.082 -12.277 -6.858 445 HE2 LYS 68 1HE LYS 68 11.426 -14.330 -7.972 446 HE3 LYS 68 2HE LYS 68 11.610 -14.605 -6.240 447 HZ1 LYS 68 3HZ LYS 68 9.295 -14.908 -7.884 448 HZ2 LYS 68 1HZ LYS 68 8.984 -13.923 -6.544 449 HZ3 LYS 68 2HZ LYS 68 9.588 -15.487 -6.322 450 H MET 69 H MET 69 8.151 -8.807 -2.690 451 HA MET 69 HA MET 69 9.498 -6.319 -3.516 452 HB2 MET 69 1HB MET 69 7.312 -6.654 -4.648 453 HB3 MET 69 2HB MET 69 6.532 -6.703 -3.073 454 HG2 MET 69 1HG MET 69 7.264 -4.414 -2.639 455 HG3 MET 69 2HG MET 69 8.039 -4.366 -4.221 456 HE1 MET 69 3HE MET 69 6.434 -3.891 -6.623 457 HE2 MET 69 1HE MET 69 5.547 -2.494 -6.010 458 HE3 MET 69 2HE MET 69 7.206 -2.785 -5.485 459 H LEU 70 H LEU 70 10.559 -5.630 -1.765 460 HA LEU 70 HA LEU 70 9.640 -6.123 0.903 461 HB2 LEU 70 1HB LEU 70 11.922 -4.602 -0.297 462 HB3 LEU 70 2HB LEU 70 11.553 -4.458 1.421 463 HG LEU 70 HG LEU 70 12.049 -7.128 0.138 464 HD11 LEU 70 1HD1 LEU 70 13.970 -4.992 0.710 465 HD12 LEU 70 2HD1 LEU 70 14.126 -6.421 -0.311 466 HD13 LEU 70 3HD1 LEU 70 14.370 -6.551 1.431 467 HD21 LEU 70 3HD2 LEU 70 11.104 -6.487 2.591 468 HD22 LEU 70 1HD2 LEU 70 12.838 -6.534 2.908 469 HD23 LEU 70 2HD2 LEU 70 12.027 -7.948 2.233 470 H VAL 71 H VAL 71 7.794 -5.116 1.468 471 HA VAL 71 HA VAL 71 7.272 -2.377 0.698 472 HB VAL 71 HB VAL 71 5.711 -4.293 2.433 473 HG11 VAL 71 1HG1 VAL 71 5.348 -1.938 3.085 474 HG12 VAL 71 2HG1 VAL 71 4.870 -1.577 1.425 475 HG13 VAL 71 3HG1 VAL 71 3.907 -2.688 2.400 476 HG21 VAL 71 3HG2 VAL 71 4.537 -4.887 0.593 477 HG22 VAL 71 1HG2 VAL 71 4.653 -3.283 -0.131 478 HG23 VAL 71 2HG2 VAL 71 6.015 -4.399 -0.237 479 H CYS 72 H CYS 72 8.389 -0.844 1.732 480 HA CYS 72 HA CYS 72 9.633 -0.965 4.176 481 HB2 CYS 72 1HB CYS 72 9.678 0.883 2.356 482 HB3 CYS 72 2HB CYS 72 8.336 1.585 3.254 483 H ASP 73 H ASP 73 9.099 0.178 6.207 484 HA ASP 73 HA ASP 73 6.286 -0.299 6.916 485 HB2 ASP 73 1HB ASP 73 8.859 -0.577 8.378 486 HB3 ASP 73 2HB ASP 73 7.459 -0.059 9.315 487 H THR 74 H THR 74 8.870 2.068 7.012 488 HA THR 74 HA THR 74 7.386 3.988 8.546 489 HB THR 74 HB THR 74 9.914 4.272 6.914 490 HG1 THR 74 HG1 THR 74 9.994 2.990 8.874 491 HG21 THR 74 3HG2 THR 74 10.209 6.437 7.943 492 HG22 THR 74 1HG2 THR 74 8.714 6.248 8.857 493 HG23 THR 74 2HG2 THR 74 8.660 6.409 7.102 494 H CYS 75 H CYS 75 8.749 4.379 5.281 495 HA CYS 75 HA CYS 75 6.674 6.256 4.591 496 HB2 CYS 75 1HB CYS 75 7.903 6.671 2.614 497 HB3 CYS 75 2HB CYS 75 9.115 6.387 3.859 498 H ASP 76 H ASP 76 7.316 2.888 4.108 499 HA ASP 76 HA ASP 76 6.063 1.211 3.214 500 HB2 ASP 76 1HB ASP 76 4.203 2.617 4.339 501 HB3 ASP 76 2HB ASP 76 3.829 3.158 2.705 502 H LYS 77 H LYS 77 7.861 2.112 1.535 503 HA LYS 77 HA LYS 77 6.495 2.641 -1.015 504 HB2 LYS 77 1HB LYS 77 9.231 3.256 0.022 505 HB3 LYS 77 2HB LYS 77 9.005 3.055 -1.711 506 HG2 LYS 77 1HG LYS 77 7.223 4.796 -1.606 507 HG3 LYS 77 2HG LYS 77 7.669 5.069 0.080 508 HD2 LYS 77 1HD LYS 77 10.073 5.350 -0.906 509 HD3 LYS 77 2HD LYS 77 9.208 5.657 -2.414 510 HE2 LYS 77 1HE LYS 77 8.644 7.113 0.162 511 HE3 LYS 77 2HE LYS 77 9.770 7.699 -1.061 512 HZ1 LYS 77 3HZ LYS 77 8.083 8.117 -2.542 513 HZ2 LYS 77 1HZ LYS 77 7.324 8.498 -1.079 514 HZ3 LYS 77 2HZ LYS 77 7.016 7.015 -1.831 515 H GLY 78 H GLY 78 6.215 0.967 -2.325 516 HA2 GLY 78 1HA GLY 78 7.293 -1.592 -1.857 517 HA3 GLY 78 2HA GLY 78 6.481 -1.080 -3.329 518 H TYR 79 H TYR 79 9.154 -2.518 -2.399 519 HA TYR 79 HA TYR 79 10.665 -1.531 -4.686 520 HB2 TYR 79 1HB TYR 79 11.726 -1.562 -1.860 521 HB3 TYR 79 2HB TYR 79 12.771 -1.503 -3.275 522 HD1 TYR 79 HD2 TYR 79 12.038 0.412 -5.023 523 HD2 TYR 79 HD1 TYR 79 11.240 0.445 -0.844 524 HE1 TYR 79 HE2 TYR 79 11.816 2.860 -5.091 525 HE2 TYR 79 HE1 TYR 79 11.014 2.894 -0.901 526 HH TYR 79 HH TYR 79 10.505 4.632 -3.559 527 H HIS 80 H HIS 80 11.030 -3.286 -5.857 528 HA HIS 80 HA HIS 80 10.866 -5.923 -4.900 529 HB2 HIS 80 1HB HIS 80 12.159 -4.864 -7.421 530 HB3 HIS 80 2HB HIS 80 11.810 -6.561 -7.106 531 HD2 HIS 80 HD2 HIS 80 8.731 -6.368 -6.138 532 HE1 HIS 80 HE1 HIS 80 8.097 -4.232 -9.748 533 HE2 HIS 80 HE2 HIS 80 7.005 -5.445 -7.830 534 H THR 81 H THR 81 12.362 -7.373 -4.214 535 HA THR 81 HA THR 81 14.645 -6.569 -2.904 536 HB THR 81 HB THR 81 15.402 -9.000 -3.153 537 HG1 THR 81 HG1 THR 81 13.797 -9.030 -5.139 538 HG21 THR 81 3HG2 THR 81 14.351 -8.813 -1.162 539 HG22 THR 81 1HG2 THR 81 13.067 -9.706 -1.975 540 HG23 THR 81 2HG2 THR 81 12.977 -7.949 -1.851 541 H PHE 82 H PHE 82 14.286 -7.586 -6.257 542 HA PHE 82 HA PHE 82 17.110 -7.566 -6.785 543 HB2 PHE 82 1HB PHE 82 16.233 -7.645 -9.227 544 HB3 PHE 82 2HB PHE 82 15.952 -9.034 -8.182 545 HD1 PHE 82 HD1 PHE 82 13.730 -9.543 -7.357 546 HD2 PHE 82 HD2 PHE 82 14.419 -6.230 -9.938 547 HE1 PHE 82 HE1 PHE 82 11.314 -9.387 -7.796 548 HE2 PHE 82 HE2 PHE 82 12.004 -6.067 -10.380 549 HZ PHE 82 HZ PHE 82 10.448 -7.647 -9.308 550 H CYS 83 H CYS 83 14.499 -5.282 -6.939 551 HA CYS 83 HA CYS 83 15.976 -3.388 -8.556 552 HB2 CYS 83 1HB CYS 83 13.304 -3.252 -7.155 553 HB3 CYS 83 2HB CYS 83 13.995 -1.895 -8.039 554 H LEU 84 H LEU 84 16.835 -4.338 -5.785 555 HA LEU 84 HA LEU 84 16.921 -1.754 -4.400 556 HB2 LEU 84 1HB LEU 84 17.407 -4.580 -3.522 557 HB3 LEU 84 2HB LEU 84 17.945 -3.210 -2.552 558 HG LEU 84 HG LEU 84 15.086 -3.798 -3.319 559 HD11 LEU 84 1HD1 LEU 84 16.310 -3.974 -0.583 560 HD12 LEU 84 2HD1 LEU 84 16.223 -5.361 -1.668 561 HD13 LEU 84 3HD1 LEU 84 14.742 -4.570 -1.129 562 HD21 LEU 84 3HD2 LEU 84 15.151 -2.047 -1.175 563 HD22 LEU 84 1HD2 LEU 84 14.762 -1.646 -2.848 564 HD23 LEU 84 2HD2 LEU 84 16.411 -1.449 -2.256 565 H GLN 85 H GLN 85 18.891 -0.871 -3.675 566 HA GLN 85 HA GLN 85 21.308 -1.978 -4.936 567 HB2 GLN 85 1HB GLN 85 20.710 -0.130 -6.311 568 HB3 GLN 85 2HB GLN 85 20.357 0.882 -4.917 569 HG2 GLN 85 1HG GLN 85 22.479 1.438 -6.072 570 HG3 GLN 85 2HG GLN 85 22.666 1.055 -4.361 571 HE21 GLN 85 1HE2 GLN 85 24.919 0.753 -5.028 572 HE22 GLN 85 2HE2 GLN 85 25.399 -0.788 -5.643 573 HA PRO 86 HA PRO 86 22.762 -3.039 -4.399 574 HB2 PRO 86 1HB PRO 86 23.316 -5.020 -2.627 575 HB3 PRO 86 2HB PRO 86 24.484 -3.766 -3.063 576 HG2 PRO 86 1HG PRO 86 22.712 -3.952 -0.657 577 HG3 PRO 86 2HG PRO 86 24.417 -3.475 -0.757 578 HD2 PRO 86 1HD PRO 86 22.409 -1.670 -0.552 579 HD3 PRO 86 2HD PRO 86 23.908 -1.333 -1.441 580 H VAL 87 H VAL 87 22.021 -5.448 -4.505 581 HA VAL 87 HA VAL 87 19.139 -5.428 -4.194 582 HB VAL 87 HB VAL 87 21.084 -7.179 -5.641 583 HG11 VAL 87 1HG1 VAL 87 18.911 -8.525 -6.235 584 HG12 VAL 87 2HG1 VAL 87 19.858 -8.931 -4.802 585 HG13 VAL 87 3HG1 VAL 87 18.387 -7.969 -4.646 586 HG21 VAL 87 3HG2 VAL 87 18.786 -5.409 -6.302 587 HG22 VAL 87 1HG2 VAL 87 20.368 -5.542 -7.069 588 HG23 VAL 87 2HG2 VAL 87 19.135 -6.765 -7.373 589 H MET 88 H MET 88 17.932 -6.920 -3.025 590 HA MET 88 HA MET 88 19.345 -8.103 -0.763 591 HB2 MET 88 1HB MET 88 16.448 -7.508 -1.320 592 HB3 MET 88 2HB MET 88 16.938 -8.518 0.034 593 HG2 MET 88 1HG MET 88 18.003 -5.743 -0.379 594 HG3 MET 88 2HG MET 88 16.522 -6.073 0.518 595 HE1 MET 88 3HE MET 88 17.096 -7.577 3.499 596 HE2 MET 88 1HE MET 88 17.502 -5.869 3.667 597 HE3 MET 88 2HE MET 88 16.262 -6.371 2.518 598 H LYS 89 H LYS 89 19.630 -10.230 -0.489 599 HA LYS 89 HA LYS 89 18.944 -12.025 -2.621 600 HB2 LYS 89 1HB LYS 89 20.181 -12.628 0.072 601 HB3 LYS 89 2HB LYS 89 20.143 -13.708 -1.316 602 HG2 LYS 89 1HG LYS 89 21.391 -11.030 -1.642 603 HG3 LYS 89 2HG LYS 89 22.270 -12.273 -0.748 604 HD2 LYS 89 1HD LYS 89 23.024 -12.786 -2.825 605 HD3 LYS 89 2HD LYS 89 21.526 -13.719 -2.873 606 HE2 LYS 89 1HE LYS 89 20.418 -11.732 -3.907 607 HE3 LYS 89 2HE LYS 89 22.002 -10.965 -4.002 608 HZ1 LYS 89 3HZ LYS 89 21.192 -13.494 -5.332 609 HZ2 LYS 89 1HZ LYS 89 22.752 -12.839 -5.371 610 HZ3 LYS 89 2HZ LYS 89 21.466 -12.005 -6.088 611 H SER 90 H SER 90 17.904 -11.538 0.721 612 HA SER 90 HA SER 90 15.508 -13.122 0.137 613 HB2 SER 90 1HB SER 90 15.659 -14.157 2.411 614 HB3 SER 90 2HB SER 90 16.943 -14.669 1.317 615 HG SER 90 HG SER 90 18.183 -14.067 2.909 616 H VAL 91 H VAL 91 13.860 -12.839 1.963 617 HA VAL 91 HA VAL 91 13.715 -9.980 2.566 618 HB VAL 91 HB VAL 91 11.590 -12.124 2.693 619 HG11 VAL 91 1HG1 VAL 91 11.695 -9.448 3.808 620 HG12 VAL 91 2HG1 VAL 91 10.347 -9.654 2.687 621 HG13 VAL 91 3HG1 VAL 91 10.519 -10.735 4.070 622 HG21 VAL 91 3HG2 VAL 91 12.163 -11.630 0.421 623 HG22 VAL 91 1HG2 VAL 91 10.628 -10.841 0.781 624 HG23 VAL 91 2HG2 VAL 91 12.115 -9.895 0.733 625 HA PRO 92 HA PRO 92 14.893 -11.015 6.760 626 HB2 PRO 92 1HB PRO 92 14.950 -8.447 7.639 627 HB3 PRO 92 2HB PRO 92 16.253 -9.165 6.684 628 HG2 PRO 92 1HG PRO 92 14.010 -7.391 5.797 629 HG3 PRO 92 2HG PRO 92 15.723 -7.341 5.341 630 HD2 PRO 92 1HD PRO 92 13.825 -8.441 3.755 631 HD3 PRO 92 2HD PRO 92 15.493 -9.045 3.805 632 H THR 93 H THR 93 13.864 -11.043 8.764 633 HA THR 93 HA THR 93 11.093 -10.036 8.784 634 HB THR 93 HB THR 93 10.464 -11.940 10.189 635 HG1 THR 93 HG1 THR 93 12.048 -12.926 11.178 636 HG21 THR 93 3HG2 THR 93 9.958 -13.016 8.307 637 HG22 THR 93 1HG2 THR 93 11.619 -13.591 8.163 638 HG23 THR 93 2HG2 THR 93 11.155 -12.047 7.448 639 H ASN 94 H ASN 94 13.282 -8.520 9.701 640 HA ASN 94 HA ASN 94 12.632 -8.376 12.562 641 HB2 ASN 94 1HB ASN 94 14.987 -9.379 11.867 642 HB3 ASN 94 2HB ASN 94 15.401 -7.676 11.693 643 HD21 ASN 94 1HD2 ASN 94 16.775 -7.544 13.398 644 HD22 ASN 94 2HD2 ASN 94 16.281 -7.725 15.044 645 H GLY 95 H GLY 95 11.618 -6.896 10.270 646 HA2 GLY 95 1HA GLY 95 10.886 -4.683 10.128 647 HA3 GLY 95 2HA GLY 95 12.109 -4.227 11.305 648 H TRP 96 H TRP 96 11.222 -4.104 8.083 649 HA TRP 96 HA TRP 96 13.965 -3.751 7.124 650 HB2 TRP 96 1HB TRP 96 12.224 -5.133 5.863 651 HB3 TRP 96 2HB TRP 96 11.453 -3.601 5.462 652 HD1 TRP 96 HD1 TRP 96 14.894 -5.332 5.001 653 HE1 TRP 96 HE1 TRP 96 15.906 -4.501 2.785 654 HE3 TRP 96 HE3 TRP 96 11.311 -1.925 3.699 655 HZ2 TRP 96 HZ2 TRP 96 15.271 -2.646 0.755 656 HZ3 TRP 96 HZ3 TRP 96 11.589 -0.663 1.605 657 HH2 TRP 96 HH2 TRP 96 13.529 -1.017 0.165 658 H LYS 97 H LYS 97 14.560 -1.862 5.918 659 HA LYS 97 HA LYS 97 12.852 0.481 6.162 660 HB2 LYS 97 1HB LYS 97 14.489 0.112 8.216 661 HB3 LYS 97 2HB LYS 97 15.663 0.814 7.110 662 HG2 LYS 97 1HG LYS 97 13.873 2.671 6.803 663 HG3 LYS 97 2HG LYS 97 13.236 2.052 8.328 664 HD2 LYS 97 1HD LYS 97 16.147 2.692 8.065 665 HD3 LYS 97 2HD LYS 97 14.978 3.984 8.350 666 HE2 LYS 97 1HE LYS 97 15.541 3.434 10.505 667 HE3 LYS 97 2HE LYS 97 14.148 2.383 10.255 668 HZ1 LYS 97 3HZ LYS 97 15.547 0.534 9.905 669 HZ2 LYS 97 1HZ LYS 97 16.150 1.312 11.281 670 HZ3 LYS 97 2HZ LYS 97 16.936 1.492 9.795 671 H CYS 98 H CYS 98 12.853 1.387 4.222 672 HA CYS 98 HA CYS 98 14.801 0.802 2.239 673 HB2 CYS 98 1HB CYS 98 13.481 2.047 0.775 674 HB3 CYS 98 2HB CYS 98 12.310 1.478 1.959 675 H LYS 99 H LYS 99 15.864 2.634 0.973 676 HA LYS 99 HA LYS 99 17.757 3.900 2.611 677 HB2 LYS 99 1HB LYS 99 18.229 3.356 0.287 678 HB3 LYS 99 2HB LYS 99 16.983 4.472 -0.255 679 HG2 LYS 99 1HG LYS 99 19.191 5.530 1.430 680 HG3 LYS 99 2HG LYS 99 19.524 5.140 -0.260 681 HD2 LYS 99 1HD LYS 99 17.319 6.517 -0.669 682 HD3 LYS 99 2HD LYS 99 17.728 7.220 0.897 683 HE2 LYS 99 1HE LYS 99 19.929 7.846 0.046 684 HE3 LYS 99 2HE LYS 99 19.540 7.121 -1.513 685 HZ1 LYS 99 3HZ LYS 99 18.733 9.668 -0.412 686 HZ2 LYS 99 1HZ LYS 99 17.487 8.808 -1.167 687 HZ3 LYS 99 2HZ LYS 99 18.893 9.187 -2.026 688 H ASN 100 H ASN 100 15.333 5.512 0.545 689 HA ASN 100 HA ASN 100 15.528 8.067 1.351 690 HB2 ASN 100 1HB ASN 100 13.868 7.770 -0.224 691 HB3 ASN 100 2HB ASN 100 13.159 6.401 0.626 692 HD21 ASN 100 1HD2 ASN 100 11.116 6.986 0.929 693 HD22 ASN 100 2HD2 ASN 100 10.599 8.437 1.713 694 H CYS 101 H CYS 101 14.429 5.425 3.297 695 HA CYS 101 HA CYS 101 13.455 7.210 5.395 696 HB2 CYS 101 1HB CYS 101 13.295 4.254 4.912 697 HB3 CYS 101 2HB CYS 101 13.032 4.894 6.530 698 H ARG 102 H ARG 102 16.005 4.853 4.775 699 HA ARG 102 HA ARG 102 17.150 4.529 7.225 700 HB2 ARG 102 1HB ARG 102 19.030 3.795 6.136 701 HB3 ARG 102 2HB ARG 102 17.881 3.758 4.805 702 HG2 ARG 102 1HG ARG 102 18.756 5.694 3.839 703 HG3 ARG 102 2HG ARG 102 19.591 6.162 5.321 704 HD2 ARG 102 1HD ARG 102 20.920 3.980 5.007 705 HD3 ARG 102 2HD ARG 102 20.299 4.009 3.357 706 HE ARG 102 HE ARG 102 21.705 5.767 2.883 707 HH11 ARG 102 2HH1 ARG 102 21.623 5.218 6.320 708 HH12 ARG 102 1HH1 ARG 102 22.948 6.284 6.654 709 HH21 ARG 102 2HH2 ARG 102 23.450 7.173 3.309 710 HH22 ARG 102 1HH2 ARG 102 23.986 7.396 4.940 711 H ILE 103 H ILE 103 17.399 7.344 5.123 712 HA ILE 103 HA ILE 103 19.397 8.837 6.072 713 HB ILE 103 HB ILE 103 16.571 9.704 5.520 714 HG12 ILE 103 1HG1 ILE 103 18.087 10.899 3.660 715 HG13 ILE 103 2HG1 ILE 103 19.139 9.536 4.028 716 HG21 ILE 103 1HG2 ILE 103 16.958 11.598 6.627 717 HG22 ILE 103 2HG2 ILE 103 18.660 11.203 6.857 718 HG23 ILE 103 3HG2 ILE 103 18.130 11.983 5.367 719 HD11 ILE 103 3HD1 ILE 103 17.949 8.387 2.556 720 HD12 ILE 103 1HD1 ILE 103 16.641 8.392 3.740 721 HD13 ILE 103 2HD1 ILE 103 16.700 9.630 2.485 722 H CYS 104 H CYS 104 20.156 9.314 8.015 723 HA CYS 104 HA CYS 104 18.458 9.090 10.352 724 HB2 CYS 104 1HB CYS 104 21.389 9.313 9.852 725 HB3 CYS 104 2HB CYS 104 20.781 9.833 11.419 726 HG CYS 104 HG CYS 104 20.302 6.713 10.096 727 H ILE 105 H ILE 105 18.053 10.736 11.841 728 HA ILE 105 HA ILE 105 17.441 13.246 10.825 729 HB ILE 105 HB ILE 105 16.440 12.364 12.880 730 HG12 ILE 105 1HG1 ILE 105 17.815 14.865 13.763 731 HG13 ILE 105 2HG1 ILE 105 16.823 14.921 12.311 732 HG21 ILE 105 1HG2 ILE 105 18.557 13.159 14.694 733 HG22 ILE 105 2HG2 ILE 105 17.614 11.671 14.641 734 HG23 ILE 105 3HG2 ILE 105 19.048 11.841 13.630 735 HD11 ILE 105 3HD1 ILE 105 14.875 14.402 13.487 736 HD12 ILE 105 1HD1 ILE 105 15.772 13.829 14.894 737 HD13 ILE 105 2HD1 ILE 105 15.729 15.552 14.516 738 H SER 106 H SER 106 18.520 15.110 10.565 739 HA SER 106 HA SER 106 20.275 16.544 10.355 740 HB2 SER 106 1HB SER 106 20.651 15.466 13.138 741 HB3 SER 106 2HB SER 106 21.782 16.639 12.464 742 HG SER 106 HG SER 106 19.580 17.210 13.651 743 H GLY 107 H GLY 107 20.664 14.203 8.988 744 HA2 GLY 107 1HA GLY 107 23.273 13.117 9.610 745 HA3 GLY 107 2HA GLY 107 22.261 12.687 8.240 746 HA PRO 108 HA PRO 108 25.763 15.813 7.205 747 HB2 PRO 108 1HB PRO 108 27.748 14.112 6.473 748 HB3 PRO 108 2HB PRO 108 27.575 14.736 8.118 749 HG2 PRO 108 1HG PRO 108 26.734 12.091 6.996 750 HG3 PRO 108 2HG PRO 108 27.524 12.450 8.543 751 HD2 PRO 108 1HD PRO 108 24.865 11.978 8.339 752 HD3 PRO 108 2HD PRO 108 25.549 13.085 9.547 753 H SER 109 H SER 109 25.001 12.658 5.773 754 HA SER 109 HA SER 109 25.284 13.807 3.092 755 HB2 SER 109 1HB SER 109 26.277 11.507 3.887 756 HB3 SER 109 2HB SER 109 24.642 10.921 3.584 757 HG SER 109 HG SER 109 25.317 12.387 1.507 758 H SER 110 H SER 110 23.373 15.070 3.154 759 HA SER 110 HA SER 110 20.930 13.479 2.761 760 HB2 SER 110 1HB SER 110 21.158 14.825 5.007 761 HB3 SER 110 2HB SER 110 20.758 16.208 3.989 762 HG SER 110 HG SER 110 18.847 15.142 3.392 763 H GLY 111 H GLY 111 19.234 14.682 1.541 764 HA2 GLY 111 1HA GLY 111 20.510 16.413 -0.484 765 HA3 GLY 111 2HA GLY 111 19.197 15.296 -0.827 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -23.128 -13.212 2.671 2 HA2 GLY 1 1HA GLY 1 -22.565 -13.427 0.431 3 HA3 GLY 1 2HA GLY 1 -24.234 -13.074 0.010 4 H SER 2 H SER 2 -21.536 -12.053 -0.940 5 HA SER 2 HA SER 2 -21.065 -9.436 -0.212 6 HB2 SER 2 1HB SER 2 -19.538 -10.529 -1.697 7 HB3 SER 2 2HB SER 2 -20.796 -10.777 -2.908 8 HG SER 2 HG SER 2 -19.949 -8.213 -2.048 9 H SER 3 H SER 3 -21.862 -7.451 -0.775 10 HA SER 3 HA SER 3 -23.742 -6.984 -2.829 11 HB2 SER 3 1HB SER 3 -25.061 -8.299 -0.995 12 HB3 SER 3 2HB SER 3 -25.039 -6.762 -0.131 13 HG SER 3 HG SER 3 -26.471 -7.514 -2.348 14 H GLY 4 H GLY 4 -23.728 -4.870 -3.305 15 HA2 GLY 4 1HA GLY 4 -22.263 -3.088 -1.532 16 HA3 GLY 4 2HA GLY 4 -22.759 -2.743 -3.182 17 H SER 5 H SER 5 -23.295 -2.006 0.003 18 HA SER 5 HA SER 5 -25.993 -0.978 -0.595 19 HB2 SER 5 1HB SER 5 -25.847 -2.804 1.173 20 HB3 SER 5 2HB SER 5 -24.977 -1.639 2.172 21 HG SER 5 HG SER 5 -27.299 -0.656 1.096 22 H SER 6 H SER 6 -23.311 -0.416 1.693 23 HA SER 6 HA SER 6 -23.939 2.342 2.014 24 HB2 SER 6 1HB SER 6 -22.798 1.135 3.789 25 HB3 SER 6 2HB SER 6 -21.440 0.785 2.720 26 HG SER 6 HG SER 6 -21.448 2.726 4.284 27 H GLY 7 H GLY 7 -21.033 0.818 0.600 28 HA2 GLY 7 1HA GLY 7 -20.603 1.589 -1.780 29 HA3 GLY 7 2HA GLY 7 -20.758 3.207 -1.112 30 H ALA 8 H ALA 8 -19.129 4.004 0.278 31 HA ALA 8 HA ALA 8 -16.510 2.975 -0.344 32 HB1 ALA 8 3HB ALA 8 -17.069 5.413 -0.259 33 HB2 ALA 8 1HB ALA 8 -17.196 5.260 1.493 34 HB3 ALA 8 2HB ALA 8 -15.658 4.947 0.689 35 H ASN 9 H ASN 9 -16.196 1.046 0.702 36 HA ASN 9 HA ASN 9 -15.971 1.213 3.623 37 HB2 ASN 9 1HB ASN 9 -17.468 -0.840 2.026 38 HB3 ASN 9 2HB ASN 9 -16.746 -1.279 3.571 39 HD21 ASN 9 1HD2 ASN 9 -19.482 -1.371 3.063 40 HD22 ASN 9 2HD2 ASN 9 -20.267 -0.194 4.055 41 H CYS 10 H CYS 10 -14.781 -0.856 4.437 42 HA CYS 10 HA CYS 10 -12.209 -0.849 3.281 43 HB2 CYS 10 1HB CYS 10 -12.794 -1.349 5.694 44 HB3 CYS 10 2HB CYS 10 -13.298 -2.948 5.159 45 H ALA 11 H ALA 11 -11.123 -2.346 2.042 46 HA ALA 11 HA ALA 11 -12.826 -4.135 0.482 47 HB1 ALA 11 3HB ALA 11 -11.549 -3.524 -1.225 48 HB2 ALA 11 1HB ALA 11 -10.633 -2.478 -0.140 49 HB3 ALA 11 2HB ALA 11 -10.112 -4.141 -0.410 50 H VAL 12 H VAL 12 -11.250 -4.424 3.273 51 HA VAL 12 HA VAL 12 -10.271 -7.145 2.703 52 HB VAL 12 HB VAL 12 -9.434 -5.167 4.816 53 HG11 VAL 12 1HG1 VAL 12 -7.894 -7.535 4.994 54 HG12 VAL 12 2HG1 VAL 12 -8.947 -6.819 6.216 55 HG13 VAL 12 3HG1 VAL 12 -9.594 -7.998 5.074 56 HG21 VAL 12 3HG2 VAL 12 -8.343 -6.134 2.300 57 HG22 VAL 12 1HG2 VAL 12 -7.905 -4.716 3.253 58 HG23 VAL 12 2HG2 VAL 12 -7.205 -6.289 3.638 59 H CYS 13 H CYS 13 -11.993 -5.169 5.099 60 HA CYS 13 HA CYS 13 -13.133 -7.627 6.238 61 HB2 CYS 13 1HB CYS 13 -13.628 -6.353 8.221 62 HB3 CYS 13 2HB CYS 13 -11.947 -6.062 7.784 63 H ASP 14 H ASP 14 -13.902 -4.655 4.606 64 HA ASP 14 HA ASP 14 -15.797 -3.998 3.515 65 HB2 ASP 14 1HB ASP 14 -16.032 -6.509 3.093 66 HB3 ASP 14 2HB ASP 14 -17.149 -6.524 4.455 67 H SER 15 H SER 15 -15.310 -2.980 5.984 68 HA SER 15 HA SER 15 -18.027 -2.586 7.012 69 HB2 SER 15 1HB SER 15 -15.648 -3.531 8.548 70 HB3 SER 15 2HB SER 15 -16.765 -2.423 9.343 71 HG SER 15 HG SER 15 -18.189 -4.295 8.106 72 HA PRO 16 HA PRO 16 -16.985 1.679 6.830 73 HB2 PRO 16 1HB PRO 16 -18.694 2.660 8.698 74 HB3 PRO 16 2HB PRO 16 -19.227 2.094 7.110 75 HG2 PRO 16 1HG PRO 16 -19.294 0.678 9.747 76 HG3 PRO 16 2HG PRO 16 -20.535 0.746 8.481 77 HD2 PRO 16 1HD PRO 16 -18.885 -1.378 8.790 78 HD3 PRO 16 2HD PRO 16 -19.501 -0.871 7.205 79 H GLY 17 H GLY 17 -17.366 0.425 10.152 80 HA2 GLY 17 1HA GLY 17 -16.327 1.126 12.111 81 HA3 GLY 17 2HA GLY 17 -14.906 0.711 11.165 82 H ASP 18 H ASP 18 -13.410 2.232 11.270 83 HA ASP 18 HA ASP 18 -14.251 5.029 11.585 84 HB2 ASP 18 1HB ASP 18 -12.602 3.789 13.198 85 HB3 ASP 18 2HB ASP 18 -11.420 4.103 11.929 86 H LEU 19 H LEU 19 -13.665 6.589 10.152 87 HA LEU 19 HA LEU 19 -12.577 5.663 7.609 88 HB2 LEU 19 1HB LEU 19 -14.088 8.089 8.492 89 HB3 LEU 19 2HB LEU 19 -13.200 8.100 6.969 90 HG LEU 19 HG LEU 19 -15.576 7.623 6.640 91 HD11 LEU 19 1HD1 LEU 19 -15.198 6.129 4.988 92 HD12 LEU 19 2HD1 LEU 19 -14.347 5.004 6.046 93 HD13 LEU 19 3HD1 LEU 19 -13.514 6.427 5.420 94 HD21 LEU 19 3HD2 LEU 19 -15.530 4.918 7.692 95 HD22 LEU 19 1HD2 LEU 19 -16.742 6.186 7.880 96 HD23 LEU 19 2HD2 LEU 19 -15.346 6.134 8.957 97 H LEU 20 H LEU 20 -11.818 7.806 10.267 98 HA LEU 20 HA LEU 20 -9.645 9.135 8.990 99 HB2 LEU 20 1HB LEU 20 -10.547 8.852 11.834 100 HB3 LEU 20 2HB LEU 20 -9.026 9.648 11.437 101 HG LEU 20 HG LEU 20 -10.375 11.220 9.985 102 HD11 LEU 20 1HD1 LEU 20 -12.377 9.854 9.767 103 HD12 LEU 20 2HD1 LEU 20 -12.758 11.414 10.496 104 HD13 LEU 20 3HD1 LEU 20 -12.660 9.970 11.504 105 HD21 LEU 20 3HD2 LEU 20 -10.580 11.086 12.968 106 HD22 LEU 20 1HD2 LEU 20 -11.343 12.400 12.073 107 HD23 LEU 20 2HD2 LEU 20 -9.600 12.153 11.961 108 H ASP 21 H ASP 21 -9.753 6.607 11.503 109 HA ASP 21 HA ASP 21 -7.069 6.102 11.772 110 HB2 ASP 21 1HB ASP 21 -9.428 4.227 11.887 111 HB3 ASP 21 2HB ASP 21 -7.791 3.702 12.270 112 H GLN 22 H GLN 22 -9.277 4.743 9.351 113 HA GLN 22 HA GLN 22 -7.275 3.149 8.093 114 HB2 GLN 22 1HB GLN 22 -8.955 2.839 6.314 115 HB3 GLN 22 2HB GLN 22 -9.620 2.544 7.915 116 HG2 GLN 22 1HG GLN 22 -10.614 4.789 7.898 117 HG3 GLN 22 2HG GLN 22 -9.984 5.038 6.270 118 HE21 GLN 22 1HE2 GLN 22 -11.928 5.246 5.259 119 HE22 GLN 22 2HE2 GLN 22 -13.069 3.959 5.106 120 H PHE 23 H PHE 23 -6.771 3.434 5.717 121 HA PHE 23 HA PHE 23 -6.040 6.243 5.251 122 HB2 PHE 23 1HB PHE 23 -4.835 3.774 3.988 123 HB3 PHE 23 2HB PHE 23 -4.232 5.424 3.866 124 HD1 PHE 23 HD2 PHE 23 -4.719 2.579 6.161 125 HD2 PHE 23 HD1 PHE 23 -2.850 6.352 5.540 126 HE1 PHE 23 HE2 PHE 23 -3.315 2.206 8.146 127 HE2 PHE 23 HE1 PHE 23 -1.442 5.985 7.524 128 HZ PHE 23 HZ PHE 23 -1.674 3.910 8.831 129 H PHE 24 H PHE 24 -6.029 6.991 3.000 130 HA PHE 24 HA PHE 24 -8.100 5.673 1.372 131 HB2 PHE 24 1HB PHE 24 -9.234 7.560 2.135 132 HB3 PHE 24 2HB PHE 24 -7.786 8.562 2.113 133 HD1 PHE 24 HD1 PHE 24 -10.514 7.168 0.122 134 HD2 PHE 24 HD2 PHE 24 -7.029 9.611 0.075 135 HE1 PHE 24 HE1 PHE 24 -11.167 8.052 -2.080 136 HE2 PHE 24 HE2 PHE 24 -7.677 10.499 -2.127 137 HZ PHE 24 HZ PHE 24 -9.748 9.720 -3.206 138 H CYS 25 H CYS 25 -7.071 4.827 -0.319 139 HA CYS 25 HA CYS 25 -4.598 5.600 -1.330 140 HB2 CYS 25 1HB CYS 25 -5.703 3.427 -1.796 141 HB3 CYS 25 2HB CYS 25 -6.842 4.258 -2.851 142 H THR 26 H THR 26 -4.023 6.658 -3.304 143 HA THR 26 HA THR 26 -5.826 8.886 -3.929 144 HB THR 26 HB THR 26 -3.757 9.859 -5.044 145 HG1 THR 26 HG1 THR 26 -2.214 8.152 -3.452 146 HG21 THR 26 3HG2 THR 26 -4.394 9.589 -2.225 147 HG22 THR 26 1HG2 THR 26 -3.873 11.010 -3.130 148 HG23 THR 26 2HG2 THR 26 -2.676 9.884 -2.488 149 H THR 27 H THR 27 -4.137 6.181 -5.368 150 HA THR 27 HA THR 27 -4.602 6.907 -8.081 151 HB THR 27 HB THR 27 -4.039 4.179 -6.901 152 HG1 THR 27 HG1 THR 27 -2.320 6.151 -8.038 153 HG21 THR 27 3HG2 THR 27 -4.855 3.726 -9.034 154 HG22 THR 27 1HG2 THR 27 -3.117 3.853 -9.300 155 HG23 THR 27 2HG2 THR 27 -4.174 5.202 -9.716 156 H CYS 28 H CYS 28 -6.005 4.207 -6.212 157 HA CYS 28 HA CYS 28 -8.280 4.131 -8.011 158 HB2 CYS 28 1HB CYS 28 -8.891 2.094 -6.899 159 HB3 CYS 28 2HB CYS 28 -7.152 2.054 -7.168 160 H GLY 29 H GLY 29 -7.655 4.741 -4.570 161 HA2 GLY 29 1HA GLY 29 -8.807 6.361 -3.291 162 HA3 GLY 29 2HA GLY 29 -10.107 6.336 -4.474 163 H GLN 30 H GLN 30 -8.608 3.582 -2.834 164 HA GLN 30 HA GLN 30 -11.256 2.767 -1.914 165 HB2 GLN 30 1HB GLN 30 -8.665 1.382 -2.395 166 HB3 GLN 30 2HB GLN 30 -9.737 0.707 -1.175 167 HG2 GLN 30 1HG GLN 30 -10.940 1.380 -3.789 168 HG3 GLN 30 2HG GLN 30 -9.833 0.009 -3.740 169 HE21 GLN 30 1HE2 GLN 30 -12.480 1.342 -1.783 170 HE22 GLN 30 2HE2 GLN 30 -13.278 -0.169 -1.526 171 H HIS 31 H HIS 31 -11.086 1.482 0.293 172 HA HIS 31 HA HIS 31 -9.669 3.213 2.212 173 HB2 HIS 31 1HB HIS 31 -12.348 1.898 2.687 174 HB3 HIS 31 2HB HIS 31 -11.532 3.062 3.728 175 HD1 HIS 31 HD1 HIS 31 -12.890 5.126 3.645 176 HD2 HIS 31 HD2 HIS 31 -12.442 3.418 -0.116 177 HE1 HIS 31 HE1 HIS 31 -13.992 6.723 2.045 178 HE2 HIS 31 HE2 HIS 31 -13.784 5.627 -0.213 179 H TYR 32 H TYR 32 -8.683 2.243 3.946 180 HA TYR 32 HA TYR 32 -9.037 -0.585 4.450 181 HB2 TYR 32 1HB TYR 32 -6.389 0.506 3.479 182 HB3 TYR 32 2HB TYR 32 -6.623 -1.099 4.162 183 HD1 TYR 32 HD1 TYR 32 -7.969 -2.781 2.929 184 HD2 TYR 32 HD2 TYR 32 -6.979 0.987 1.218 185 HE1 TYR 32 HE1 TYR 32 -8.528 -3.653 0.698 186 HE2 TYR 32 HE2 TYR 32 -7.537 0.125 -1.017 187 HH TYR 32 HH TYR 32 -7.969 -1.748 -2.213 188 H HIS 33 H HIS 33 -8.939 -0.905 6.569 189 HA HIS 33 HA HIS 33 -8.191 1.181 8.355 190 HB2 HIS 33 1HB HIS 33 -8.760 -1.730 8.952 191 HB3 HIS 33 2HB HIS 33 -8.716 -0.422 10.131 192 HD2 HIS 33 HD2 HIS 33 -10.774 1.671 9.338 193 HE1 HIS 33 HE1 HIS 33 -13.375 -1.417 8.033 194 HE2 HIS 33 HE2 HIS 33 -13.170 1.028 8.606 195 H GLY 34 H GLY 34 -6.573 1.025 10.051 196 HA2 GLY 34 1HA GLY 34 -4.019 0.352 9.025 197 HA3 GLY 34 2HA GLY 34 -4.368 0.849 10.674 198 H MET 35 H MET 35 -6.253 -1.335 11.138 199 HA MET 35 HA MET 35 -4.325 -3.326 11.917 200 HB2 MET 35 1HB MET 35 -6.043 -2.852 13.497 201 HB3 MET 35 2HB MET 35 -7.306 -3.078 12.295 202 HG2 MET 35 1HG MET 35 -7.220 -5.351 12.422 203 HG3 MET 35 2HG MET 35 -5.523 -5.371 12.897 204 HE1 MET 35 3HE MET 35 -4.810 -4.053 14.868 205 HE2 MET 35 1HE MET 35 -5.858 -3.492 16.171 206 HE3 MET 35 2HE MET 35 -5.109 -5.086 16.267 207 H CYS 36 H CYS 36 -7.263 -3.342 9.897 208 HA CYS 36 HA CYS 36 -7.359 -5.890 9.014 209 HB2 CYS 36 1HB CYS 36 -7.931 -3.281 7.703 210 HB3 CYS 36 2HB CYS 36 -7.889 -4.708 6.672 211 H LEU 37 H LEU 37 -5.120 -3.408 7.859 212 HA LEU 37 HA LEU 37 -3.808 -5.351 6.118 213 HB2 LEU 37 1HB LEU 37 -3.802 -2.395 6.381 214 HB3 LEU 37 2HB LEU 37 -2.344 -3.161 5.753 215 HG LEU 37 HG LEU 37 -3.778 -4.230 3.992 216 HD11 LEU 37 1HD1 LEU 37 -5.953 -2.905 3.608 217 HD12 LEU 37 2HD1 LEU 37 -5.832 -2.504 5.320 218 HD13 LEU 37 3HD1 LEU 37 -5.948 -4.190 4.817 219 HD21 LEU 37 3HD2 LEU 37 -2.883 -1.510 4.228 220 HD22 LEU 37 1HD2 LEU 37 -4.313 -1.598 3.199 221 HD23 LEU 37 2HD2 LEU 37 -2.891 -2.569 2.817 222 H ASP 38 H ASP 38 -3.504 -3.997 9.228 223 HA ASP 38 HA ASP 38 -2.006 -4.372 10.904 224 HB2 ASP 38 1HB ASP 38 -0.338 -6.086 9.088 225 HB3 ASP 38 2HB ASP 38 -0.587 -6.230 10.826 226 H ILE 39 H ILE 39 -1.746 -2.097 9.374 227 HA ILE 39 HA ILE 39 1.158 -1.783 9.023 228 HB ILE 39 HB ILE 39 -1.058 0.003 8.013 229 HG12 ILE 39 1HG1 ILE 39 0.728 -1.839 6.418 230 HG13 ILE 39 2HG1 ILE 39 -0.887 -2.290 6.956 231 HG21 ILE 39 1HG2 ILE 39 0.882 0.875 6.582 232 HG22 ILE 39 2HG2 ILE 39 0.816 1.370 8.273 233 HG23 ILE 39 3HG2 ILE 39 1.929 0.098 7.770 234 HD11 ILE 39 3HD1 ILE 39 -0.901 -1.542 4.649 235 HD12 ILE 39 1HD1 ILE 39 -1.829 -0.445 5.671 236 HD13 ILE 39 2HD1 ILE 39 -0.211 0.007 5.134 237 H ALA 40 H ALA 40 2.243 -0.043 9.969 238 HA ALA 40 HA ALA 40 1.060 0.886 12.449 239 HB1 ALA 40 3HB ALA 40 3.828 1.195 11.298 240 HB2 ALA 40 1HB ALA 40 3.327 1.829 12.866 241 HB3 ALA 40 2HB ALA 40 3.315 0.090 12.573 242 H VAL 41 H VAL 41 -0.213 2.620 12.374 243 HA VAL 41 HA VAL 41 -0.337 4.515 10.342 244 HB VAL 41 HB VAL 41 -1.102 4.885 13.242 245 HG11 VAL 41 1HG1 VAL 41 -1.454 6.549 10.816 246 HG12 VAL 41 2HG1 VAL 41 -2.819 6.439 11.928 247 HG13 VAL 41 3HG1 VAL 41 -1.258 7.028 12.501 248 HG21 VAL 41 3HG2 VAL 41 -3.394 4.333 12.374 249 HG22 VAL 41 1HG2 VAL 41 -2.625 3.822 10.872 250 HG23 VAL 41 2HG2 VAL 41 -2.255 2.987 12.380 251 H THR 42 H THR 42 1.151 5.921 9.717 252 HA THR 42 HA THR 42 2.718 7.329 11.772 253 HB THR 42 HB THR 42 4.604 7.361 10.020 254 HG1 THR 42 HG1 THR 42 2.774 5.860 8.743 255 HG21 THR 42 3HG2 THR 42 3.904 4.750 11.368 256 HG22 THR 42 1HG2 THR 42 4.713 6.115 12.137 257 HG23 THR 42 2HG2 THR 42 5.508 5.243 10.826 258 HA PRO 43 HA PRO 43 1.613 11.053 9.726 259 HB2 PRO 43 1HB PRO 43 3.826 12.571 10.135 260 HB3 PRO 43 2HB PRO 43 2.685 12.170 11.424 261 HG2 PRO 43 1HG PRO 43 5.319 10.909 10.766 262 HG3 PRO 43 2HG PRO 43 4.650 11.341 12.351 263 HD2 PRO 43 1HD PRO 43 4.609 8.808 11.394 264 HD3 PRO 43 2HD PRO 43 3.336 9.451 12.453 265 H LEU 44 H LEU 44 3.810 8.963 8.455 266 HA LEU 44 HA LEU 44 4.570 10.724 6.234 267 HB2 LEU 44 1HB LEU 44 6.246 9.274 7.542 268 HB3 LEU 44 2HB LEU 44 5.555 7.922 6.647 269 HG LEU 44 HG LEU 44 6.867 10.327 5.382 270 HD11 LEU 44 1HD1 LEU 44 8.840 9.177 5.230 271 HD12 LEU 44 2HD1 LEU 44 8.062 7.601 5.371 272 HD13 LEU 44 3HD1 LEU 44 8.263 8.615 6.799 273 HD21 LEU 44 3HD2 LEU 44 5.328 8.064 4.365 274 HD22 LEU 44 1HD2 LEU 44 6.903 8.251 3.593 275 HD23 LEU 44 2HD2 LEU 44 5.754 9.590 3.588 276 H LYS 45 H LYS 45 3.225 7.490 6.854 277 HA LYS 45 HA LYS 45 2.584 6.889 4.184 278 HB2 LYS 45 1HB LYS 45 1.487 5.903 6.812 279 HB3 LYS 45 2HB LYS 45 0.907 5.290 5.268 280 HG2 LYS 45 1HG LYS 45 2.920 4.258 4.774 281 HG3 LYS 45 2HG LYS 45 3.828 5.265 5.904 282 HD2 LYS 45 1HD LYS 45 2.287 4.107 7.684 283 HD3 LYS 45 2HD LYS 45 2.120 2.875 6.432 284 HE2 LYS 45 1HE LYS 45 4.852 3.843 7.091 285 HE3 LYS 45 2HE LYS 45 4.048 2.782 8.248 286 HZ1 LYS 45 3HZ LYS 45 3.600 1.490 5.954 287 HZ2 LYS 45 1HZ LYS 45 4.920 1.180 6.967 288 HZ3 LYS 45 2HZ LYS 45 5.106 2.186 5.620 289 H ARG 46 H ARG 46 0.590 8.251 6.797 290 HA ARG 46 HA ARG 46 -1.855 8.439 5.670 291 HB2 ARG 46 1HB ARG 46 -0.347 10.444 7.329 292 HB3 ARG 46 2HB ARG 46 -2.001 10.748 6.814 293 HG2 ARG 46 1HG ARG 46 -2.547 8.483 7.874 294 HG3 ARG 46 2HG ARG 46 -0.971 8.623 8.656 295 HD2 ARG 46 1HD ARG 46 -2.288 9.598 10.248 296 HD3 ARG 46 2HD ARG 46 -1.878 11.016 9.284 297 HE ARG 46 HE ARG 46 -4.231 9.892 8.264 298 HH11 ARG 46 2HH1 ARG 46 -3.084 11.546 11.104 299 HH12 ARG 46 1HH1 ARG 46 -4.622 12.254 11.473 300 HH21 ARG 46 2HH2 ARG 46 -6.262 10.817 8.739 301 HH22 ARG 46 1HH2 ARG 46 -6.429 11.838 10.127 302 H ALA 47 H ALA 47 0.890 10.559 4.963 303 HA ALA 47 HA ALA 47 -0.439 12.353 3.266 304 HB1 ALA 47 3HB ALA 47 1.735 12.885 4.132 305 HB2 ALA 47 1HB ALA 47 2.450 11.497 3.311 306 HB3 ALA 47 2HB ALA 47 1.824 12.852 2.371 307 H GLY 48 H GLY 48 -1.729 11.511 1.701 308 HA2 GLY 48 1HA GLY 48 -2.348 10.403 -0.214 309 HA3 GLY 48 2HA GLY 48 -0.709 10.748 -0.747 310 H TRP 49 H TRP 49 -1.910 8.623 1.836 311 HA TRP 49 HA TRP 49 -0.111 6.594 1.568 312 HB2 TRP 49 1HB TRP 49 -1.701 6.598 3.379 313 HB3 TRP 49 2HB TRP 49 -3.047 6.402 2.260 314 HD1 TRP 49 HD1 TRP 49 0.030 4.410 3.513 315 HE1 TRP 49 HE1 TRP 49 -0.545 1.904 3.395 316 HE3 TRP 49 HE3 TRP 49 -4.579 4.737 1.324 317 HZ2 TRP 49 HZ2 TRP 49 -2.671 0.281 2.494 318 HZ3 TRP 49 HZ3 TRP 49 -5.817 2.661 0.868 319 HH2 TRP 49 HH2 TRP 49 -4.882 0.480 1.441 320 H GLN 50 H GLN 50 -0.193 4.492 0.571 321 HA GLN 50 HA GLN 50 -1.761 4.433 -1.921 322 HB2 GLN 50 1HB GLN 50 1.148 4.069 -1.477 323 HB3 GLN 50 2HB GLN 50 0.386 2.972 -2.620 324 HG2 GLN 50 1HG GLN 50 -0.621 5.254 -3.535 325 HG3 GLN 50 2HG GLN 50 0.854 5.886 -2.805 326 HE21 GLN 50 1HE2 GLN 50 -0.394 3.541 -5.110 327 HE22 GLN 50 2HE2 GLN 50 1.025 3.477 -6.094 328 H CYS 51 H CYS 51 -3.010 2.701 -2.143 329 HA CYS 51 HA CYS 51 -3.028 0.634 -0.180 330 HB2 CYS 51 1HB CYS 51 -4.976 -0.132 -1.207 331 HB3 CYS 51 2HB CYS 51 -4.997 1.590 -1.576 332 HA PRO 52 HA PRO 52 -0.408 -2.412 -1.942 333 HB2 PRO 52 1HB PRO 52 -1.733 -4.704 -1.341 334 HB3 PRO 52 2HB PRO 52 -0.897 -3.731 -0.126 335 HG2 PRO 52 1HG PRO 52 -3.811 -3.818 -0.807 336 HG3 PRO 52 2HG PRO 52 -3.036 -3.771 0.787 337 HD2 PRO 52 1HD PRO 52 -4.103 -1.572 -0.379 338 HD3 PRO 52 2HD PRO 52 -2.688 -1.494 0.691 339 H GLU 53 H GLU 53 -3.485 -1.825 -3.180 340 HA GLU 53 HA GLU 53 -3.270 -3.849 -5.279 341 HB2 GLU 53 1HB GLU 53 -5.470 -1.880 -4.632 342 HB3 GLU 53 2HB GLU 53 -5.528 -3.046 -5.947 343 HG2 GLU 53 1HG GLU 53 -4.993 -4.074 -3.220 344 HG3 GLU 53 2HG GLU 53 -6.625 -3.518 -3.588 345 H CYS 54 H CYS 54 -2.605 -0.553 -4.706 346 HA CYS 54 HA CYS 54 -2.377 -0.042 -7.599 347 HB2 CYS 54 1HB CYS 54 -2.842 1.837 -5.284 348 HB3 CYS 54 2HB CYS 54 -2.348 2.403 -6.877 349 H LYS 55 H LYS 55 -0.732 -0.034 -4.527 350 HA LYS 55 HA LYS 55 1.569 1.399 -5.184 351 HB2 LYS 55 1HB LYS 55 1.295 0.875 -2.913 352 HB3 LYS 55 2HB LYS 55 1.024 -0.831 -3.245 353 HG2 LYS 55 1HG LYS 55 3.493 -0.719 -4.132 354 HG3 LYS 55 2HG LYS 55 3.573 0.688 -3.069 355 HD2 LYS 55 1HD LYS 55 2.554 -1.989 -2.148 356 HD3 LYS 55 2HD LYS 55 4.258 -1.536 -2.057 357 HE2 LYS 55 1HE LYS 55 3.479 -0.955 0.042 358 HE3 LYS 55 2HE LYS 55 3.373 0.571 -0.834 359 HZ1 LYS 55 3HZ LYS 55 1.351 0.339 0.304 360 HZ2 LYS 55 1HZ LYS 55 1.176 -1.286 -0.135 361 HZ3 LYS 55 2HZ LYS 55 0.992 -0.071 -1.298 362 H VAL 56 H VAL 56 3.597 0.795 -5.958 363 HA VAL 56 HA VAL 56 4.089 -1.894 -6.875 364 HB VAL 56 HB VAL 56 4.338 -1.413 -9.214 365 HG11 VAL 56 1HG1 VAL 56 1.687 -0.365 -8.228 366 HG12 VAL 56 2HG1 VAL 56 2.020 -0.974 -9.850 367 HG13 VAL 56 3HG1 VAL 56 2.106 -2.061 -8.464 368 HG21 VAL 56 3HG2 VAL 56 4.989 0.690 -9.675 369 HG22 VAL 56 1HG2 VAL 56 3.259 1.011 -9.792 370 HG23 VAL 56 2HG2 VAL 56 4.124 1.369 -8.296 371 H CYS 57 H CYS 57 6.245 -2.023 -8.019 372 HA CYS 57 HA CYS 57 8.250 -0.920 -6.438 373 HB2 CYS 57 1HB CYS 57 8.421 -2.949 -7.938 374 HB3 CYS 57 2HB CYS 57 8.618 -1.840 -9.291 375 H GLN 58 H GLN 58 9.868 0.651 -6.889 376 HA GLN 58 HA GLN 58 8.903 2.813 -8.635 377 HB2 GLN 58 1HB GLN 58 10.787 2.970 -6.276 378 HB3 GLN 58 2HB GLN 58 10.212 4.333 -7.227 379 HG2 GLN 58 1HG GLN 58 8.624 2.562 -5.394 380 HG3 GLN 58 2HG GLN 58 8.949 4.287 -5.229 381 HE21 GLN 58 1HE2 GLN 58 6.485 2.467 -5.592 382 HE22 GLN 58 2HE2 GLN 58 5.556 3.303 -6.785 383 H ASN 59 H ASN 59 11.408 0.540 -8.172 384 HA ASN 59 HA ASN 59 13.402 2.006 -9.667 385 HB2 ASN 59 1HB ASN 59 13.279 -0.705 -8.387 386 HB3 ASN 59 2HB ASN 59 14.549 -0.342 -9.552 387 HD21 ASN 59 1HD2 ASN 59 13.379 0.133 -6.371 388 HD22 ASN 59 2HD2 ASN 59 14.696 1.089 -5.788 389 H CYS 60 H CYS 60 11.341 -0.838 -10.182 390 HA CYS 60 HA CYS 60 12.013 -0.738 -13.044 391 HB2 CYS 60 1HB CYS 60 11.434 -3.033 -13.201 392 HB3 CYS 60 2HB CYS 60 12.392 -2.882 -11.731 393 H LYS 61 H LYS 61 9.410 -0.584 -10.727 394 HA LYS 61 HA LYS 61 7.255 0.130 -10.908 395 HB2 LYS 61 1HB LYS 61 7.978 0.882 -13.745 396 HB3 LYS 61 2HB LYS 61 6.592 1.461 -12.830 397 HG2 LYS 61 1HG LYS 61 9.294 1.922 -11.693 398 HG3 LYS 61 2HG LYS 61 8.800 2.887 -13.087 399 HD2 LYS 61 1HD LYS 61 6.602 3.185 -11.645 400 HD3 LYS 61 2HD LYS 61 7.712 2.841 -10.317 401 HE2 LYS 61 1HE LYS 61 8.383 4.891 -12.397 402 HE3 LYS 61 2HE LYS 61 7.341 5.295 -11.034 403 HZ1 LYS 61 3HZ LYS 61 10.027 4.092 -10.697 404 HZ2 LYS 61 1HZ LYS 61 9.061 4.822 -9.516 405 HZ3 LYS 61 2HZ LYS 61 9.771 5.764 -10.728 406 H GLN 62 H GLN 62 7.579 -2.520 -11.122 407 HA GLN 62 HA GLN 62 5.540 -3.258 -13.099 408 HB2 GLN 62 1HB GLN 62 8.144 -4.693 -12.584 409 HB3 GLN 62 2HB GLN 62 6.783 -5.440 -13.411 410 HG2 GLN 62 1HG GLN 62 6.975 -3.257 -14.899 411 HG3 GLN 62 2HG GLN 62 8.643 -3.329 -14.334 412 HE21 GLN 62 1HE2 GLN 62 6.122 -5.406 -15.711 413 HE22 GLN 62 2HE2 GLN 62 7.184 -6.318 -16.724 414 H SER 63 H SER 63 3.842 -3.882 -11.946 415 HA SER 63 HA SER 63 4.135 -4.978 -9.294 416 HB2 SER 63 1HB SER 63 1.773 -4.803 -9.120 417 HB3 SER 63 2HB SER 63 2.281 -3.394 -10.051 418 HG SER 63 HG SER 63 1.848 -5.328 -11.781 419 H GLY 64 H GLY 64 4.188 -7.063 -8.753 420 HA2 GLY 64 1HA GLY 64 2.767 -9.112 -10.078 421 HA3 GLY 64 2HA GLY 64 4.433 -9.114 -10.635 422 H GLU 65 H GLU 65 5.946 -8.679 -8.515 423 HA GLU 65 HA GLU 65 5.397 -11.008 -6.839 424 HB2 GLU 65 1HB GLU 65 7.915 -9.346 -7.025 425 HB3 GLU 65 2HB GLU 65 7.739 -10.891 -6.204 426 HG2 GLU 65 1HG GLU 65 8.847 -11.252 -8.285 427 HG3 GLU 65 2HG GLU 65 7.227 -11.940 -8.386 428 H ASP 66 H ASP 66 3.820 -10.115 -5.467 429 HA ASP 66 HA ASP 66 4.280 -7.725 -3.974 430 HB2 ASP 66 1HB ASP 66 2.279 -9.963 -3.611 431 HB3 ASP 66 2HB ASP 66 2.283 -8.478 -2.662 432 H SER 67 H SER 67 4.242 -11.173 -3.071 433 HA SER 67 HA SER 67 4.919 -10.978 -0.421 434 HB2 SER 67 1HB SER 67 4.435 -13.076 -1.849 435 HB3 SER 67 2HB SER 67 6.168 -13.084 -2.176 436 HG SER 67 HG SER 67 4.810 -13.780 0.097 437 H LYS 68 H LYS 68 7.254 -11.432 -3.081 438 HA LYS 68 HA LYS 68 9.558 -11.081 -1.533 439 HB2 LYS 68 1HB LYS 68 9.060 -10.624 -4.475 440 HB3 LYS 68 2HB LYS 68 10.655 -10.530 -3.742 441 HG2 LYS 68 1HG LYS 68 10.135 -12.914 -2.881 442 HG3 LYS 68 2HG LYS 68 8.896 -12.912 -4.139 443 HD2 LYS 68 1HD LYS 68 10.578 -12.453 -5.829 444 HD3 LYS 68 2HD LYS 68 11.829 -12.355 -4.588 445 HE2 LYS 68 1HE LYS 68 10.177 -14.799 -5.217 446 HE3 LYS 68 2HE LYS 68 11.831 -14.521 -5.758 447 HZ1 LYS 68 3HZ LYS 68 10.880 -14.899 -2.976 448 HZ2 LYS 68 1HZ LYS 68 12.434 -14.343 -3.351 449 HZ3 LYS 68 2HZ LYS 68 11.944 -15.883 -3.850 450 H MET 69 H MET 69 7.606 -8.747 -3.339 451 HA MET 69 HA MET 69 9.169 -6.500 -3.208 452 HB2 MET 69 1HB MET 69 7.023 -6.531 -4.354 453 HB3 MET 69 2HB MET 69 6.177 -6.692 -2.820 454 HG2 MET 69 1HG MET 69 6.890 -4.489 -2.149 455 HG3 MET 69 2HG MET 69 7.861 -4.328 -3.610 456 HE1 MET 69 3HE MET 69 7.332 -2.927 -5.127 457 HE2 MET 69 1HE MET 69 6.417 -3.915 -6.267 458 HE3 MET 69 2HE MET 69 5.763 -2.373 -5.714 459 H LEU 70 H LEU 70 10.043 -5.350 -1.622 460 HA LEU 70 HA LEU 70 9.282 -5.892 1.127 461 HB2 LEU 70 1HB LEU 70 11.539 -4.443 -0.197 462 HB3 LEU 70 2HB LEU 70 11.211 -4.197 1.517 463 HG LEU 70 HG LEU 70 11.524 -6.990 0.541 464 HD11 LEU 70 1HD1 LEU 70 13.443 -6.337 -0.496 465 HD12 LEU 70 2HD1 LEU 70 14.056 -6.525 1.147 466 HD13 LEU 70 3HD1 LEU 70 13.654 -4.921 0.535 467 HD21 LEU 70 3HD2 LEU 70 12.397 -5.538 3.037 468 HD22 LEU 70 1HD2 LEU 70 12.527 -7.273 2.743 469 HD23 LEU 70 2HD2 LEU 70 10.938 -6.516 2.869 470 H VAL 71 H VAL 71 7.640 -4.795 1.969 471 HA VAL 71 HA VAL 71 6.949 -2.153 0.989 472 HB VAL 71 HB VAL 71 5.644 -3.852 3.120 473 HG11 VAL 71 1HG1 VAL 71 5.182 -1.100 2.202 474 HG12 VAL 71 2HG1 VAL 71 3.739 -2.113 2.290 475 HG13 VAL 71 3HG1 VAL 71 4.744 -1.880 3.721 476 HG21 VAL 71 3HG2 VAL 71 3.923 -3.592 0.968 477 HG22 VAL 71 1HG2 VAL 71 5.502 -3.843 0.223 478 HG23 VAL 71 2HG2 VAL 71 4.876 -5.018 1.380 479 H CYS 72 H CYS 72 8.357 -0.640 1.708 480 HA CYS 72 HA CYS 72 9.769 -0.538 4.053 481 HB2 CYS 72 1HB CYS 72 10.074 1.046 2.191 482 HB3 CYS 72 2HB CYS 72 8.544 1.816 2.598 483 H ASP 73 H ASP 73 9.280 -0.345 6.134 484 HA ASP 73 HA ASP 73 6.529 0.128 6.914 485 HB2 ASP 73 1HB ASP 73 8.976 -0.928 8.237 486 HB3 ASP 73 2HB ASP 73 7.757 -0.185 9.269 487 H THR 74 H THR 74 8.221 2.312 5.815 488 HA THR 74 HA THR 74 7.897 4.193 8.057 489 HB THR 74 HB THR 74 10.127 4.268 6.014 490 HG1 THR 74 HG1 THR 74 9.942 3.337 8.658 491 HG21 THR 74 3HG2 THR 74 9.711 6.017 8.437 492 HG22 THR 74 1HG2 THR 74 9.279 6.491 6.795 493 HG23 THR 74 2HG2 THR 74 10.964 6.172 7.206 494 H CYS 75 H CYS 75 8.266 3.941 4.524 495 HA CYS 75 HA CYS 75 6.457 6.251 4.258 496 HB2 CYS 75 1HB CYS 75 7.496 6.728 2.130 497 HB3 CYS 75 2HB CYS 75 8.755 6.579 3.351 498 H ASP 76 H ASP 76 7.065 2.948 3.372 499 HA ASP 76 HA ASP 76 5.775 1.364 2.370 500 HB2 ASP 76 1HB ASP 76 4.030 2.143 3.907 501 HB3 ASP 76 2HB ASP 76 3.568 3.397 2.759 502 H LYS 77 H LYS 77 7.294 2.615 0.623 503 HA LYS 77 HA LYS 77 5.698 3.701 -1.548 504 HB2 LYS 77 1HB LYS 77 8.638 3.371 -1.047 505 HB3 LYS 77 2HB LYS 77 8.051 3.701 -2.672 506 HG2 LYS 77 1HG LYS 77 7.145 5.445 -0.437 507 HG3 LYS 77 2HG LYS 77 8.778 5.644 -1.075 508 HD2 LYS 77 1HD LYS 77 6.526 5.484 -3.011 509 HD3 LYS 77 2HD LYS 77 6.716 6.970 -2.077 510 HE2 LYS 77 1HE LYS 77 8.988 7.218 -2.875 511 HE3 LYS 77 2HE LYS 77 8.885 5.679 -3.729 512 HZ1 LYS 77 3HZ LYS 77 6.864 6.846 -4.864 513 HZ2 LYS 77 1HZ LYS 77 8.440 7.141 -5.406 514 HZ3 LYS 77 2HZ LYS 77 7.668 8.261 -4.401 515 H GLY 78 H GLY 78 8.096 1.067 -1.252 516 HA2 GLY 78 1HA GLY 78 7.270 -1.180 -1.963 517 HA3 GLY 78 2HA GLY 78 6.598 -0.359 -3.364 518 H TYR 79 H TYR 79 9.174 -2.132 -2.235 519 HA TYR 79 HA TYR 79 10.694 -1.563 -4.655 520 HB2 TYR 79 1HB TYR 79 12.038 -1.574 -1.948 521 HB3 TYR 79 2HB TYR 79 12.791 -1.257 -3.507 522 HD1 TYR 79 HD2 TYR 79 12.073 0.829 -4.779 523 HD2 TYR 79 HD1 TYR 79 11.112 0.175 -0.686 524 HE1 TYR 79 HE2 TYR 79 11.648 3.235 -4.500 525 HE2 TYR 79 HE1 TYR 79 10.683 2.579 -0.396 526 HH TYR 79 HH TYR 79 10.416 4.543 -1.456 527 H HIS 80 H HIS 80 11.114 -3.434 -5.602 528 HA HIS 80 HA HIS 80 10.633 -5.936 -4.431 529 HB2 HIS 80 1HB HIS 80 12.195 -5.162 -6.898 530 HB3 HIS 80 2HB HIS 80 11.864 -6.832 -6.449 531 HD2 HIS 80 HD2 HIS 80 8.646 -6.158 -5.600 532 HE1 HIS 80 HE1 HIS 80 8.384 -5.263 -9.739 533 HE2 HIS 80 HE2 HIS 80 7.095 -5.717 -7.623 534 H THR 81 H THR 81 12.475 -7.706 -4.652 535 HA THR 81 HA THR 81 14.524 -6.889 -2.754 536 HB THR 81 HB THR 81 15.081 -9.407 -2.848 537 HG1 THR 81 HG1 THR 81 13.964 -10.479 -4.280 538 HG21 THR 81 3HG2 THR 81 12.445 -8.370 -1.811 539 HG22 THR 81 1HG2 THR 81 13.974 -8.478 -0.939 540 HG23 THR 81 2HG2 THR 81 13.111 -9.948 -1.393 541 H PHE 82 H PHE 82 14.203 -7.724 -6.101 542 HA PHE 82 HA PHE 82 17.129 -7.781 -6.398 543 HB2 PHE 82 1HB PHE 82 16.441 -8.635 -8.771 544 HB3 PHE 82 2HB PHE 82 16.372 -9.734 -7.397 545 HD1 PHE 82 HD1 PHE 82 14.232 -10.404 -6.446 546 HD2 PHE 82 HD2 PHE 82 14.447 -7.880 -9.866 547 HE1 PHE 82 HE1 PHE 82 11.858 -10.849 -6.919 548 HE2 PHE 82 HE2 PHE 82 12.074 -8.320 -10.344 549 HZ PHE 82 HZ PHE 82 10.776 -9.806 -8.870 550 H CYS 83 H CYS 83 15.313 -5.406 -6.124 551 HA CYS 83 HA CYS 83 16.039 -4.074 -8.652 552 HB2 CYS 83 1HB CYS 83 13.596 -3.796 -6.924 553 HB3 CYS 83 2HB CYS 83 14.110 -2.473 -7.967 554 H LEU 84 H LEU 84 16.367 -4.155 -5.267 555 HA LEU 84 HA LEU 84 17.023 -1.387 -4.889 556 HB2 LEU 84 1HB LEU 84 17.455 -3.818 -3.164 557 HB3 LEU 84 2HB LEU 84 17.847 -2.174 -2.667 558 HG LEU 84 HG LEU 84 15.059 -2.913 -3.489 559 HD11 LEU 84 1HD1 LEU 84 16.260 -3.205 -0.739 560 HD12 LEU 84 2HD1 LEU 84 15.691 -4.515 -1.773 561 HD13 LEU 84 3HD1 LEU 84 14.546 -3.336 -1.134 562 HD21 LEU 84 3HD2 LEU 84 15.036 -0.662 -3.250 563 HD22 LEU 84 1HD2 LEU 84 16.428 -0.650 -2.168 564 HD23 LEU 84 2HD2 LEU 84 14.835 -1.083 -1.549 565 H GLN 85 H GLN 85 19.149 -0.653 -4.142 566 HA GLN 85 HA GLN 85 21.371 -2.223 -5.259 567 HB2 GLN 85 1HB GLN 85 22.369 0.036 -5.926 568 HB3 GLN 85 2HB GLN 85 21.051 -0.583 -6.911 569 HG2 GLN 85 1HG GLN 85 19.487 0.891 -5.826 570 HG3 GLN 85 2HG GLN 85 20.735 1.445 -4.712 571 HE21 GLN 85 1HE2 GLN 85 22.857 1.836 -6.357 572 HE22 GLN 85 2HE2 GLN 85 22.509 3.091 -7.492 573 HA PRO 86 HA PRO 86 22.678 -3.379 -4.564 574 HB2 PRO 86 1HB PRO 86 23.016 -5.112 -2.503 575 HB3 PRO 86 2HB PRO 86 24.326 -4.112 -3.142 576 HG2 PRO 86 1HG PRO 86 22.616 -3.675 -0.724 577 HG3 PRO 86 2HG PRO 86 24.366 -3.455 -0.911 578 HD2 PRO 86 1HD PRO 86 22.621 -1.386 -0.983 579 HD3 PRO 86 2HD PRO 86 24.125 -1.400 -1.926 580 H VAL 87 H VAL 87 21.640 -5.680 -4.207 581 HA VAL 87 HA VAL 87 18.787 -5.206 -3.836 582 HB VAL 87 HB VAL 87 18.719 -7.674 -4.686 583 HG11 VAL 87 1HG1 VAL 87 18.791 -6.877 -7.008 584 HG12 VAL 87 2HG1 VAL 87 17.914 -5.764 -5.956 585 HG13 VAL 87 3HG1 VAL 87 19.561 -5.387 -6.463 586 HG21 VAL 87 3HG2 VAL 87 20.577 -8.498 -5.819 587 HG22 VAL 87 1HG2 VAL 87 21.356 -6.917 -5.889 588 HG23 VAL 87 2HG2 VAL 87 21.278 -7.795 -4.362 589 H MET 88 H MET 88 17.459 -6.750 -2.666 590 HA MET 88 HA MET 88 18.841 -7.727 -0.267 591 HB2 MET 88 1HB MET 88 16.009 -6.880 -0.810 592 HB3 MET 88 2HB MET 88 16.404 -7.859 0.596 593 HG2 MET 88 1HG MET 88 17.977 -5.387 0.125 594 HG3 MET 88 2HG MET 88 16.320 -5.229 0.704 595 HE1 MET 88 3HE MET 88 16.426 -5.793 4.273 596 HE2 MET 88 1HE MET 88 15.622 -5.242 2.803 597 HE3 MET 88 2HE MET 88 15.640 -6.959 3.208 598 H LYS 89 H LYS 89 19.582 -9.632 -1.420 599 HA LYS 89 HA LYS 89 18.335 -11.521 -2.809 600 HB2 LYS 89 1HB LYS 89 19.935 -12.159 -0.323 601 HB3 LYS 89 2HB LYS 89 19.666 -13.233 -1.690 602 HG2 LYS 89 1HG LYS 89 21.201 -10.643 -1.736 603 HG3 LYS 89 2HG LYS 89 21.883 -12.270 -1.785 604 HD2 LYS 89 1HD LYS 89 20.717 -12.678 -3.911 605 HD3 LYS 89 2HD LYS 89 20.073 -11.035 -3.862 606 HE2 LYS 89 1HE LYS 89 22.936 -11.907 -4.167 607 HE3 LYS 89 2HE LYS 89 21.955 -10.977 -5.298 608 HZ1 LYS 89 3HZ LYS 89 23.450 -10.088 -2.998 609 HZ2 LYS 89 1HZ LYS 89 21.889 -9.444 -3.090 610 HZ3 LYS 89 2HZ LYS 89 22.968 -9.230 -4.374 611 H SER 90 H SER 90 17.813 -10.978 0.643 612 HA SER 90 HA SER 90 15.316 -12.501 0.437 613 HB2 SER 90 1HB SER 90 17.491 -12.915 2.487 614 HB3 SER 90 2HB SER 90 15.822 -13.407 2.777 615 HG SER 90 HG SER 90 17.647 -14.786 1.546 616 H VAL 91 H VAL 91 14.145 -12.229 2.723 617 HA VAL 91 HA VAL 91 14.194 -9.340 3.303 618 HB VAL 91 HB VAL 91 11.856 -11.228 3.607 619 HG11 VAL 91 1HG1 VAL 91 12.375 -8.581 4.578 620 HG12 VAL 91 2HG1 VAL 91 11.028 -8.551 3.437 621 HG13 VAL 91 3HG1 VAL 91 10.969 -9.612 4.845 622 HG21 VAL 91 3HG2 VAL 91 11.729 -11.071 1.375 623 HG22 VAL 91 1HG2 VAL 91 11.170 -9.424 1.671 624 HG23 VAL 91 2HG2 VAL 91 12.870 -9.727 1.310 625 HA PRO 92 HA PRO 92 15.506 -10.621 7.365 626 HB2 PRO 92 1HB PRO 92 15.577 -8.126 8.431 627 HB3 PRO 92 2HB PRO 92 16.835 -8.747 7.356 628 HG2 PRO 92 1HG PRO 92 14.524 -6.951 6.728 629 HG3 PRO 92 2HG PRO 92 16.209 -6.838 6.186 630 HD2 PRO 92 1HD PRO 92 14.241 -7.848 4.624 631 HD3 PRO 92 2HD PRO 92 15.918 -8.425 4.540 632 H THR 93 H THR 93 12.533 -9.451 6.397 633 HA THR 93 HA THR 93 10.560 -8.932 7.498 634 HB THR 93 HB THR 93 9.714 -10.862 8.752 635 HG1 THR 93 HG1 THR 93 11.886 -11.244 9.755 636 HG21 THR 93 3HG2 THR 93 11.207 -11.274 6.198 637 HG22 THR 93 1HG2 THR 93 9.469 -11.275 6.496 638 HG23 THR 93 2HG2 THR 93 10.448 -12.658 6.985 639 H ASN 94 H ASN 94 12.770 -7.612 8.756 640 HA ASN 94 HA ASN 94 11.781 -7.553 11.528 641 HB2 ASN 94 1HB ASN 94 14.577 -7.693 10.506 642 HB3 ASN 94 2HB ASN 94 14.275 -6.698 11.928 643 HD21 ASN 94 1HD2 ASN 94 13.594 -7.671 13.834 644 HD22 ASN 94 2HD2 ASN 94 13.740 -9.372 14.099 645 H GLY 95 H GLY 95 10.668 -5.949 9.612 646 HA2 GLY 95 1HA GLY 95 10.080 -3.751 9.296 647 HA3 GLY 95 2HA GLY 95 11.052 -3.368 10.709 648 H TRP 96 H TRP 96 11.409 -4.235 7.276 649 HA TRP 96 HA TRP 96 14.023 -3.137 7.056 650 HB2 TRP 96 1HB TRP 96 13.293 -4.859 5.514 651 HB3 TRP 96 2HB TRP 96 11.977 -3.838 4.942 652 HD1 TRP 96 HD1 TRP 96 15.852 -3.886 4.933 653 HE1 TRP 96 HE1 TRP 96 16.656 -2.682 2.805 654 HE3 TRP 96 HE3 TRP 96 11.328 -2.349 3.114 655 HZ2 TRP 96 HZ2 TRP 96 15.522 -1.267 0.642 656 HZ3 TRP 96 HZ3 TRP 96 11.275 -1.075 1.010 657 HH2 TRP 96 HH2 TRP 96 13.329 -0.545 -0.199 658 H LYS 97 H LYS 97 14.689 -1.242 5.973 659 HA LYS 97 HA LYS 97 12.613 0.822 5.661 660 HB2 LYS 97 1HB LYS 97 14.044 0.961 7.805 661 HB3 LYS 97 2HB LYS 97 15.353 1.446 6.735 662 HG2 LYS 97 1HG LYS 97 13.967 3.325 5.941 663 HG3 LYS 97 2HG LYS 97 12.718 2.859 7.099 664 HD2 LYS 97 1HD LYS 97 15.482 3.281 8.112 665 HD3 LYS 97 2HD LYS 97 14.534 4.702 7.667 666 HE2 LYS 97 1HE LYS 97 12.709 3.849 9.142 667 HE3 LYS 97 2HE LYS 97 13.804 2.574 9.674 668 HZ1 LYS 97 3HZ LYS 97 13.887 5.450 10.240 669 HZ2 LYS 97 1HZ LYS 97 15.349 4.601 10.175 670 HZ3 LYS 97 2HZ LYS 97 14.152 4.140 11.277 671 H CYS 98 H CYS 98 12.676 1.875 3.781 672 HA CYS 98 HA CYS 98 14.601 1.172 1.797 673 HB2 CYS 98 1HB CYS 98 13.276 2.355 0.294 674 HB3 CYS 98 2HB CYS 98 12.106 1.865 1.516 675 H LYS 99 H LYS 99 16.224 2.395 0.882 676 HA LYS 99 HA LYS 99 17.875 3.905 2.393 677 HB2 LYS 99 1HB LYS 99 18.565 3.182 0.214 678 HB3 LYS 99 2HB LYS 99 17.327 4.158 -0.565 679 HG2 LYS 99 1HG LYS 99 19.409 5.482 1.111 680 HG3 LYS 99 2HG LYS 99 19.798 4.962 -0.530 681 HD2 LYS 99 1HD LYS 99 17.641 6.220 -1.193 682 HD3 LYS 99 2HD LYS 99 17.798 7.000 0.382 683 HE2 LYS 99 1HE LYS 99 18.956 8.474 -0.941 684 HE3 LYS 99 2HE LYS 99 20.261 7.411 -0.415 685 HZ1 LYS 99 3HZ LYS 99 20.024 8.005 -2.904 686 HZ2 LYS 99 1HZ LYS 99 18.814 6.822 -2.908 687 HZ3 LYS 99 2HZ LYS 99 20.395 6.413 -2.467 688 H ASN 100 H ASN 100 15.585 5.382 0.084 689 HA ASN 100 HA ASN 100 15.843 7.999 0.572 690 HB2 ASN 100 1HB ASN 100 14.008 6.644 -0.762 691 HB3 ASN 100 2HB ASN 100 13.041 6.961 0.676 692 HD21 ASN 100 1HD2 ASN 100 14.532 8.304 -2.127 693 HD22 ASN 100 2HD2 ASN 100 13.843 9.883 -1.999 694 H CYS 101 H CYS 101 14.261 5.708 2.737 695 HA CYS 101 HA CYS 101 13.513 7.754 4.629 696 HB2 CYS 101 1HB CYS 101 13.294 4.762 4.544 697 HB3 CYS 101 2HB CYS 101 13.025 5.624 6.055 698 H ARG 102 H ARG 102 15.844 5.066 4.565 699 HA ARG 102 HA ARG 102 16.988 5.291 7.032 700 HB2 ARG 102 1HB ARG 102 18.607 4.901 4.515 701 HB3 ARG 102 2HB ARG 102 18.967 4.294 6.126 702 HG2 ARG 102 1HG ARG 102 16.793 2.973 5.925 703 HG3 ARG 102 2HG ARG 102 16.860 3.368 4.206 704 HD2 ARG 102 1HD ARG 102 17.934 1.322 4.280 705 HD3 ARG 102 2HD ARG 102 19.283 2.455 4.353 706 HE ARG 102 HE ARG 102 18.309 0.753 6.507 707 HH11 ARG 102 2HH1 ARG 102 20.453 3.289 5.463 708 HH12 ARG 102 1HH1 ARG 102 21.518 3.126 6.820 709 HH21 ARG 102 2HH2 ARG 102 19.704 0.528 8.298 710 HH22 ARG 102 1HH2 ARG 102 21.092 1.554 8.431 711 H ILE 103 H ILE 103 17.459 7.393 4.262 712 HA ILE 103 HA ILE 103 19.660 8.816 4.662 713 HB ILE 103 HB ILE 103 16.934 10.067 4.308 714 HG12 ILE 103 1HG1 ILE 103 17.388 8.471 2.558 715 HG13 ILE 103 2HG1 ILE 103 17.600 10.088 1.898 716 HG21 ILE 103 1HG2 ILE 103 18.117 11.946 4.739 717 HG22 ILE 103 2HG2 ILE 103 19.662 11.195 4.344 718 HG23 ILE 103 3HG2 ILE 103 18.597 11.751 3.053 719 HD11 ILE 103 3HD1 ILE 103 19.746 8.146 2.701 720 HD12 ILE 103 1HD1 ILE 103 19.359 8.720 1.079 721 HD13 ILE 103 2HD1 ILE 103 20.052 9.827 2.264 722 H CYS 104 H CYS 104 20.680 9.702 6.322 723 HA CYS 104 HA CYS 104 19.196 10.303 8.762 724 HB2 CYS 104 1HB CYS 104 21.471 8.980 8.538 725 HB3 CYS 104 2HB CYS 104 22.164 10.597 8.554 726 HG CYS 104 HG CYS 104 20.702 8.867 11.050 727 H ILE 105 H ILE 105 19.662 12.292 9.953 728 HA ILE 105 HA ILE 105 19.856 14.562 8.112 729 HB ILE 105 HB ILE 105 18.888 14.471 10.972 730 HG12 ILE 105 1HG1 ILE 105 17.382 13.307 9.436 731 HG13 ILE 105 2HG1 ILE 105 16.658 14.816 9.981 732 HG21 ILE 105 1HG2 ILE 105 18.370 16.749 9.126 733 HG22 ILE 105 2HG2 ILE 105 18.463 16.722 10.886 734 HG23 ILE 105 3HG2 ILE 105 19.938 16.636 9.924 735 HD11 ILE 105 3HD1 ILE 105 18.052 15.430 7.632 736 HD12 ILE 105 1HD1 ILE 105 17.198 13.919 7.322 737 HD13 ILE 105 2HD1 ILE 105 16.306 15.341 7.866 738 H SER 106 H SER 106 21.923 15.169 7.858 739 HA SER 106 HA SER 106 23.650 15.337 10.227 740 HB2 SER 106 1HB SER 106 24.370 14.075 8.112 741 HB3 SER 106 2HB SER 106 24.546 15.662 7.365 742 HG SER 106 HG SER 106 25.770 15.795 9.683 743 H GLY 107 H GLY 107 22.646 17.271 11.009 744 HA2 GLY 107 1HA GLY 107 23.291 19.669 9.408 745 HA3 GLY 107 2HA GLY 107 21.962 19.579 10.555 746 HA PRO 108 HA PRO 108 25.668 21.557 12.590 747 HB2 PRO 108 1HB PRO 108 24.350 23.777 13.429 748 HB3 PRO 108 2HB PRO 108 25.119 23.659 11.842 749 HG2 PRO 108 1HG PRO 108 22.239 23.313 12.583 750 HG3 PRO 108 2HG PRO 108 22.944 24.174 11.201 751 HD2 PRO 108 1HD PRO 108 21.898 21.685 10.988 752 HD3 PRO 108 2HD PRO 108 23.264 22.235 9.996 753 H SER 109 H SER 109 25.966 20.486 14.445 754 HA SER 109 HA SER 109 23.772 20.428 16.408 755 HB2 SER 109 1HB SER 109 26.105 18.557 15.973 756 HB3 SER 109 2HB SER 109 25.079 18.495 17.406 757 HG SER 109 HG SER 109 24.615 17.525 14.930 758 H SER 110 H SER 110 23.986 21.593 18.194 759 HA SER 110 HA SER 110 25.969 23.387 18.732 760 HB2 SER 110 1HB SER 110 25.097 23.567 20.962 761 HB3 SER 110 2HB SER 110 23.739 23.202 19.897 762 HG SER 110 HG SER 110 23.643 21.883 21.716 763 H GLY 111 H GLY 111 27.427 23.376 20.741 764 HA2 GLY 111 1HA GLY 111 29.527 21.612 20.367 765 HA3 GLY 111 2HA GLY 111 29.259 22.533 21.840 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -33.924 16.312 -4.390 2 HA2 GLY 1 1HA GLY 1 -32.002 16.149 -6.161 3 HA3 GLY 1 2HA GLY 1 -31.041 15.889 -4.713 4 H SER 2 H SER 2 -30.442 13.810 -5.384 5 HA SER 2 HA SER 2 -32.415 11.776 -4.753 6 HB2 SER 2 1HB SER 2 -32.195 10.546 -6.795 7 HB3 SER 2 2HB SER 2 -32.580 12.209 -7.240 8 HG SER 2 HG SER 2 -30.675 12.415 -8.132 9 H SER 3 H SER 3 -31.466 10.435 -3.385 10 HA SER 3 HA SER 3 -28.619 10.380 -3.063 11 HB2 SER 3 1HB SER 3 -29.147 8.625 -1.327 12 HB3 SER 3 2HB SER 3 -29.956 10.173 -1.083 13 HG SER 3 HG SER 3 -31.775 9.151 -1.208 14 H GLY 4 H GLY 4 -27.664 8.027 -2.684 15 HA2 GLY 4 1HA GLY 4 -28.168 5.717 -3.791 16 HA3 GLY 4 2HA GLY 4 -28.006 6.666 -5.262 17 H SER 5 H SER 5 -26.226 6.236 -2.199 18 HA SER 5 HA SER 5 -23.767 5.961 -3.801 19 HB2 SER 5 1HB SER 5 -22.525 7.158 -2.112 20 HB3 SER 5 2HB SER 5 -23.906 8.147 -2.583 21 HG SER 5 HG SER 5 -24.750 7.908 -0.652 22 H SER 6 H SER 6 -22.115 4.620 -2.895 23 HA SER 6 HA SER 6 -23.222 2.504 -1.188 24 HB2 SER 6 1HB SER 6 -21.435 1.081 -2.085 25 HB3 SER 6 2HB SER 6 -22.373 1.802 -3.394 26 HG SER 6 HG SER 6 -20.676 3.444 -3.455 27 H GLY 7 H GLY 7 -20.209 4.349 -1.665 28 HA2 GLY 7 1HA GLY 7 -19.046 5.394 0.133 29 HA3 GLY 7 2HA GLY 7 -19.788 4.249 1.239 30 H ALA 8 H ALA 8 -16.952 5.004 0.814 31 HA ALA 8 HA ALA 8 -15.777 2.551 -0.235 32 HB1 ALA 8 3HB ALA 8 -14.737 5.244 0.486 33 HB2 ALA 8 1HB ALA 8 -13.625 3.875 0.504 34 HB3 ALA 8 2HB ALA 8 -14.490 4.290 -0.977 35 H ASN 9 H ASN 9 -16.249 0.980 1.273 36 HA ASN 9 HA ASN 9 -15.523 1.434 4.061 37 HB2 ASN 9 1HB ASN 9 -16.395 -1.072 4.131 38 HB3 ASN 9 2HB ASN 9 -17.514 0.287 4.082 39 HD21 ASN 9 1HD2 ASN 9 -19.186 -0.553 3.004 40 HD22 ASN 9 2HD2 ASN 9 -19.103 -1.209 1.408 41 H CYS 10 H CYS 10 -14.356 -0.392 5.188 42 HA CYS 10 HA CYS 10 -11.792 -0.696 4.116 43 HB2 CYS 10 1HB CYS 10 -12.391 -0.839 6.542 44 HB3 CYS 10 2HB CYS 10 -13.070 -2.434 6.234 45 H ALA 11 H ALA 11 -11.045 -1.983 2.577 46 HA ALA 11 HA ALA 11 -12.677 -4.020 1.404 47 HB1 ALA 11 3HB ALA 11 -11.419 -3.248 -0.282 48 HB2 ALA 11 1HB ALA 11 -10.135 -2.701 0.797 49 HB3 ALA 11 2HB ALA 11 -10.212 -4.393 0.303 50 H VAL 12 H VAL 12 -11.138 -4.091 4.222 51 HA VAL 12 HA VAL 12 -10.238 -6.882 3.928 52 HB VAL 12 HB VAL 12 -9.435 -4.883 6.048 53 HG11 VAL 12 1HG1 VAL 12 -8.743 -6.627 7.232 54 HG12 VAL 12 2HG1 VAL 12 -9.305 -7.733 5.977 55 HG13 VAL 12 3HG1 VAL 12 -7.667 -7.080 5.910 56 HG21 VAL 12 3HG2 VAL 12 -7.375 -4.640 4.955 57 HG22 VAL 12 1HG2 VAL 12 -7.660 -6.038 3.919 58 HG23 VAL 12 2HG2 VAL 12 -8.571 -4.550 3.663 59 H CYS 13 H CYS 13 -12.053 -4.633 5.961 60 HA CYS 13 HA CYS 13 -13.346 -6.952 7.242 61 HB2 CYS 13 1HB CYS 13 -13.551 -5.745 9.272 62 HB3 CYS 13 2HB CYS 13 -11.894 -5.488 8.733 63 H ASP 14 H ASP 14 -13.730 -4.031 5.478 64 HA ASP 14 HA ASP 14 -15.536 -3.015 4.539 65 HB2 ASP 14 1HB ASP 14 -16.083 -5.311 3.802 66 HB3 ASP 14 2HB ASP 14 -16.984 -5.562 5.295 67 H SER 15 H SER 15 -14.995 -2.122 7.004 68 HA SER 15 HA SER 15 -17.666 -1.721 8.175 69 HB2 SER 15 1HB SER 15 -15.058 -2.034 9.682 70 HB3 SER 15 2HB SER 15 -16.601 -1.590 10.412 71 HG SER 15 HG SER 15 -16.757 -3.689 10.624 72 HA PRO 16 HA PRO 16 -16.546 2.492 7.205 73 HB2 PRO 16 1HB PRO 16 -18.906 3.574 7.998 74 HB3 PRO 16 2HB PRO 16 -18.705 2.735 6.455 75 HG2 PRO 16 1HG PRO 16 -19.851 1.719 9.027 76 HG3 PRO 16 2HG PRO 16 -20.440 1.487 7.371 77 HD2 PRO 16 1HD PRO 16 -19.030 -0.408 8.695 78 HD3 PRO 16 2HD PRO 16 -18.927 -0.197 6.935 79 H GLY 17 H GLY 17 -17.095 1.047 10.213 80 HA2 GLY 17 1HA GLY 17 -17.440 2.763 12.177 81 HA3 GLY 17 2HA GLY 17 -16.046 1.693 12.214 82 H ASP 18 H ASP 18 -14.002 2.496 11.683 83 HA ASP 18 HA ASP 18 -13.759 5.378 12.030 84 HB2 ASP 18 1HB ASP 18 -11.644 3.214 11.996 85 HB3 ASP 18 2HB ASP 18 -11.360 4.912 12.371 86 H LEU 19 H LEU 19 -13.332 6.741 10.424 87 HA LEU 19 HA LEU 19 -12.749 5.649 7.779 88 HB2 LEU 19 1HB LEU 19 -13.617 8.377 8.710 89 HB3 LEU 19 2HB LEU 19 -13.212 8.004 7.035 90 HG LEU 19 HG LEU 19 -15.658 8.057 7.546 91 HD11 LEU 19 1HD1 LEU 19 -14.411 6.643 5.736 92 HD12 LEU 19 2HD1 LEU 19 -16.132 6.397 6.031 93 HD13 LEU 19 3HD1 LEU 19 -14.952 5.281 6.718 94 HD21 LEU 19 3HD2 LEU 19 -15.505 7.049 9.793 95 HD22 LEU 19 1HD2 LEU 19 -15.061 5.512 9.050 96 HD23 LEU 19 2HD2 LEU 19 -16.652 6.210 8.747 97 H LEU 20 H LEU 20 -11.465 7.990 10.104 98 HA LEU 20 HA LEU 20 -9.278 8.843 8.539 99 HB2 LEU 20 1HB LEU 20 -10.039 8.983 11.402 100 HB3 LEU 20 2HB LEU 20 -8.347 9.265 10.998 101 HG LEU 20 HG LEU 20 -9.188 11.042 9.384 102 HD11 LEU 20 1HD1 LEU 20 -11.574 10.118 9.542 103 HD12 LEU 20 2HD1 LEU 20 -11.360 11.868 9.562 104 HD13 LEU 20 3HD1 LEU 20 -11.668 11.000 11.067 105 HD21 LEU 20 3HD2 LEU 20 -9.708 12.620 11.372 106 HD22 LEU 20 1HD2 LEU 20 -8.119 11.862 11.267 107 HD23 LEU 20 2HD2 LEU 20 -9.334 11.212 12.368 108 H ASP 21 H ASP 21 -9.426 6.497 11.220 109 HA ASP 21 HA ASP 21 -6.893 5.640 11.441 110 HB2 ASP 21 1HB ASP 21 -9.428 4.015 11.362 111 HB3 ASP 21 2HB ASP 21 -7.868 3.276 11.711 112 H GLN 22 H GLN 22 -9.133 4.435 8.946 113 HA GLN 22 HA GLN 22 -7.070 2.956 7.609 114 HB2 GLN 22 1HB GLN 22 -8.820 2.589 5.872 115 HB3 GLN 22 2HB GLN 22 -9.323 2.124 7.492 116 HG2 GLN 22 1HG GLN 22 -10.528 4.265 7.698 117 HG3 GLN 22 2HG GLN 22 -10.080 4.647 6.036 118 HE21 GLN 22 1HE2 GLN 22 -10.378 1.548 5.713 119 HE22 GLN 22 2HE2 GLN 22 -12.068 1.373 5.400 120 H PHE 23 H PHE 23 -5.815 3.555 5.943 121 HA PHE 23 HA PHE 23 -5.555 6.303 5.294 122 HB2 PHE 23 1HB PHE 23 -4.396 4.034 3.683 123 HB3 PHE 23 2HB PHE 23 -3.748 5.656 3.904 124 HD1 PHE 23 HD1 PHE 23 -2.569 6.262 5.930 125 HD2 PHE 23 HD2 PHE 23 -4.112 2.335 5.370 126 HE1 PHE 23 HE1 PHE 23 -1.186 5.455 7.798 127 HE2 PHE 23 HE2 PHE 23 -2.732 1.522 7.237 128 HZ PHE 23 HZ PHE 23 -1.267 3.083 8.455 129 H PHE 24 H PHE 24 -5.290 6.807 2.784 130 HA PHE 24 HA PHE 24 -7.660 5.800 1.368 131 HB2 PHE 24 1HB PHE 24 -8.502 7.845 2.098 132 HB3 PHE 24 2HB PHE 24 -6.937 8.645 1.978 133 HD1 PHE 24 HD1 PHE 24 -9.901 7.537 0.142 134 HD2 PHE 24 HD2 PHE 24 -6.154 9.542 -0.116 135 HE1 PHE 24 HE1 PHE 24 -10.532 8.428 -2.064 136 HE2 PHE 24 HE2 PHE 24 -6.780 10.436 -2.321 137 HZ PHE 24 HZ PHE 24 -8.972 9.880 -3.297 138 H CYS 25 H CYS 25 -7.181 5.094 -0.598 139 HA CYS 25 HA CYS 25 -4.563 5.610 -1.718 140 HB2 CYS 25 1HB CYS 25 -5.631 3.343 -1.746 141 HB3 CYS 25 2HB CYS 25 -6.822 3.971 -2.881 142 H THR 26 H THR 26 -4.221 6.372 -3.879 143 HA THR 26 HA THR 26 -6.229 8.364 -4.678 144 HB THR 26 HB THR 26 -4.422 9.501 -5.880 145 HG1 THR 26 HG1 THR 26 -3.128 7.670 -6.359 146 HG21 THR 26 3HG2 THR 26 -4.862 9.856 -3.395 147 HG22 THR 26 1HG2 THR 26 -3.296 10.389 -4.005 148 HG23 THR 26 2HG2 THR 26 -3.425 8.875 -3.110 149 H THR 27 H THR 27 -4.362 5.633 -5.815 150 HA THR 27 HA THR 27 -4.979 5.915 -8.574 151 HB THR 27 HB THR 27 -4.180 3.437 -7.034 152 HG1 THR 27 HG1 THR 27 -2.126 4.061 -8.236 153 HG21 THR 27 3HG2 THR 27 -3.509 2.544 -9.215 154 HG22 THR 27 1HG2 THR 27 -4.140 3.989 -10.004 155 HG23 THR 27 2HG2 THR 27 -5.238 2.887 -9.172 156 H CYS 28 H CYS 28 -6.105 3.387 -6.320 157 HA CYS 28 HA CYS 28 -8.427 2.907 -7.979 158 HB2 CYS 28 1HB CYS 28 -8.866 1.034 -6.537 159 HB3 CYS 28 2HB CYS 28 -7.140 1.059 -6.884 160 H GLY 29 H GLY 29 -7.741 4.126 -4.721 161 HA2 GLY 29 1HA GLY 29 -8.980 5.833 -3.661 162 HA3 GLY 29 2HA GLY 29 -10.309 5.524 -4.769 163 H GLN 30 H GLN 30 -8.601 3.084 -2.890 164 HA GLN 30 HA GLN 30 -11.139 2.452 -1.558 165 HB2 GLN 30 1HB GLN 30 -8.692 0.826 -2.193 166 HB3 GLN 30 2HB GLN 30 -9.854 0.286 -0.989 167 HG2 GLN 30 1HG GLN 30 -10.499 0.896 -3.864 168 HG3 GLN 30 2HG GLN 30 -10.230 -0.714 -3.198 169 HE21 GLN 30 1HE2 GLN 30 -11.600 -0.960 -1.042 170 HE22 GLN 30 2HE2 GLN 30 -13.276 -0.597 -1.246 171 H HIS 31 H HIS 31 -10.947 1.590 0.697 172 HA HIS 31 HA HIS 31 -8.937 3.134 2.201 173 HB2 HIS 31 1HB HIS 31 -11.721 2.374 3.110 174 HB3 HIS 31 2HB HIS 31 -10.565 3.364 3.996 175 HD1 HIS 31 HD1 HIS 31 -13.410 4.364 3.178 176 HD2 HIS 31 HD2 HIS 31 -9.906 5.131 1.081 177 HE1 HIS 31 HE1 HIS 31 -13.862 6.454 1.854 178 HE2 HIS 31 HE2 HIS 31 -11.758 6.850 0.528 179 H TYR 32 H TYR 32 -8.043 2.195 4.071 180 HA TYR 32 HA TYR 32 -8.674 -0.566 4.702 181 HB2 TYR 32 1HB TYR 32 -5.948 0.250 3.678 182 HB3 TYR 32 2HB TYR 32 -6.310 -1.297 4.434 183 HD1 TYR 32 HD2 TYR 32 -6.996 0.824 1.484 184 HD2 TYR 32 HD1 TYR 32 -7.323 -3.055 3.201 185 HE1 TYR 32 HE2 TYR 32 -7.646 -0.085 -0.707 186 HE2 TYR 32 HE1 TYR 32 -7.973 -3.975 1.015 187 HH TYR 32 HH TYR 32 -8.721 -1.941 -1.686 188 H HIS 33 H HIS 33 -8.700 -0.717 6.835 189 HA HIS 33 HA HIS 33 -7.771 1.318 8.549 190 HB2 HIS 33 1HB HIS 33 -8.655 -1.519 9.072 191 HB3 HIS 33 2HB HIS 33 -8.208 -0.410 10.364 192 HD2 HIS 33 HD2 HIS 33 -9.834 2.239 9.434 193 HE1 HIS 33 HE1 HIS 33 -13.218 -0.319 9.345 194 HE2 HIS 33 HE2 HIS 33 -12.413 2.068 9.332 195 H GLY 34 H GLY 34 -5.953 1.527 9.783 196 HA2 GLY 34 1HA GLY 34 -3.561 0.369 8.877 197 HA3 GLY 34 2HA GLY 34 -3.753 1.262 10.379 198 H MET 35 H MET 35 -5.863 -0.737 11.215 199 HA MET 35 HA MET 35 -3.999 -2.611 12.419 200 HB2 MET 35 1HB MET 35 -5.647 -1.550 13.860 201 HB3 MET 35 2HB MET 35 -6.956 -2.166 12.861 202 HG2 MET 35 1HG MET 35 -5.979 -4.489 13.440 203 HG3 MET 35 2HG MET 35 -5.175 -3.633 14.754 204 HE1 MET 35 3HE MET 35 -9.508 -3.062 13.921 205 HE2 MET 35 1HE MET 35 -8.300 -3.720 12.818 206 HE3 MET 35 2HE MET 35 -9.252 -4.805 13.831 207 H CYS 36 H CYS 36 -6.924 -2.712 10.409 208 HA CYS 36 HA CYS 36 -7.234 -5.450 10.180 209 HB2 CYS 36 1HB CYS 36 -7.841 -3.170 8.322 210 HB3 CYS 36 2HB CYS 36 -8.136 -4.831 7.816 211 H LEU 37 H LEU 37 -4.915 -3.345 8.638 212 HA LEU 37 HA LEU 37 -3.922 -5.563 6.999 213 HB2 LEU 37 1HB LEU 37 -3.731 -2.606 6.859 214 HB3 LEU 37 2HB LEU 37 -2.377 -3.541 6.226 215 HG LEU 37 HG LEU 37 -5.242 -3.768 5.305 216 HD11 LEU 37 1HD1 LEU 37 -2.928 -2.643 3.761 217 HD12 LEU 37 2HD1 LEU 37 -3.970 -1.630 4.759 218 HD13 LEU 37 3HD1 LEU 37 -4.651 -2.531 3.405 219 HD21 LEU 37 3HD2 LEU 37 -3.405 -4.826 3.447 220 HD22 LEU 37 1HD2 LEU 37 -4.630 -5.688 4.379 221 HD23 LEU 37 2HD2 LEU 37 -2.997 -5.510 5.022 222 H ASP 38 H ASP 38 -3.465 -4.437 10.009 223 HA ASP 38 HA ASP 38 -1.831 -4.663 11.575 224 HB2 ASP 38 1HB ASP 38 -0.598 -6.451 9.468 225 HB3 ASP 38 2HB ASP 38 -0.051 -6.341 11.139 226 H ILE 39 H ILE 39 -1.713 -2.489 9.648 227 HA ILE 39 HA ILE 39 1.188 -2.027 9.490 228 HB ILE 39 HB ILE 39 -1.011 -0.544 8.047 229 HG12 ILE 39 1HG1 ILE 39 0.951 -2.531 6.895 230 HG13 ILE 39 2HG1 ILE 39 -0.685 -2.963 7.379 231 HG21 ILE 39 1HG2 ILE 39 1.910 -0.199 8.268 232 HG22 ILE 39 2HG2 ILE 39 1.228 -0.045 6.649 233 HG23 ILE 39 3HG2 ILE 39 0.644 0.989 7.954 234 HD11 ILE 39 3HD1 ILE 39 -0.227 -0.734 5.448 235 HD12 ILE 39 1HD1 ILE 39 -0.191 -2.412 4.908 236 HD13 ILE 39 2HD1 ILE 39 -1.646 -1.759 5.661 237 H ALA 40 H ALA 40 2.121 -0.347 10.533 238 HA ALA 40 HA ALA 40 0.585 0.973 12.585 239 HB1 ALA 40 3HB ALA 40 2.775 0.224 13.176 240 HB2 ALA 40 1HB ALA 40 3.499 1.115 11.837 241 HB3 ALA 40 2HB ALA 40 2.784 1.988 13.193 242 H VAL 41 H VAL 41 -0.742 2.539 11.850 243 HA VAL 41 HA VAL 41 -0.257 4.220 9.654 244 HB VAL 41 HB VAL 41 -2.505 3.915 10.492 245 HG11 VAL 41 1HG1 VAL 41 -1.914 5.595 12.895 246 HG12 VAL 41 2HG1 VAL 41 -3.250 4.477 12.610 247 HG13 VAL 41 3HG1 VAL 41 -1.632 3.855 12.937 248 HG21 VAL 41 3HG2 VAL 41 -1.299 6.509 10.071 249 HG22 VAL 41 1HG2 VAL 41 -2.843 5.878 9.498 250 HG23 VAL 41 2HG2 VAL 41 -2.731 6.621 11.093 251 H THR 42 H THR 42 1.460 5.520 9.531 252 HA THR 42 HA THR 42 2.244 7.065 11.907 253 HB THR 42 HB THR 42 4.363 7.512 10.594 254 HG1 THR 42 HG1 THR 42 3.691 5.266 9.033 255 HG21 THR 42 3HG2 THR 42 3.668 5.409 12.216 256 HG22 THR 42 1HG2 THR 42 5.304 5.787 11.679 257 HG23 THR 42 2HG2 THR 42 4.342 4.596 10.804 258 HA PRO 43 HA PRO 43 1.012 10.893 10.149 259 HB2 PRO 43 1HB PRO 43 2.986 12.557 10.989 260 HB3 PRO 43 2HB PRO 43 1.758 11.898 12.076 261 HG2 PRO 43 1HG PRO 43 4.572 10.983 11.619 262 HG3 PRO 43 2HG PRO 43 3.687 11.158 13.145 263 HD2 PRO 43 1HD PRO 43 4.030 8.765 11.926 264 HD3 PRO 43 2HD PRO 43 2.584 9.151 12.881 265 H LEU 44 H LEU 44 3.751 9.284 9.077 266 HA LEU 44 HA LEU 44 4.338 11.310 7.030 267 HB2 LEU 44 1HB LEU 44 6.324 10.720 8.122 268 HB3 LEU 44 2HB LEU 44 5.904 9.008 8.144 269 HG LEU 44 HG LEU 44 6.294 8.883 5.730 270 HD11 LEU 44 1HD1 LEU 44 5.961 11.625 5.784 271 HD12 LEU 44 2HD1 LEU 44 6.499 10.661 4.409 272 HD13 LEU 44 3HD1 LEU 44 7.684 11.414 5.476 273 HD21 LEU 44 3HD2 LEU 44 8.448 9.869 7.553 274 HD22 LEU 44 1HD2 LEU 44 8.806 9.536 5.859 275 HD23 LEU 44 2HD2 LEU 44 8.185 8.252 6.897 276 H LYS 45 H LYS 45 2.918 8.236 7.546 277 HA LYS 45 HA LYS 45 3.180 7.301 4.837 278 HB2 LYS 45 1HB LYS 45 2.699 6.040 7.182 279 HB3 LYS 45 2HB LYS 45 1.058 6.172 6.564 280 HG2 LYS 45 1HG LYS 45 1.545 4.883 4.671 281 HG3 LYS 45 2HG LYS 45 3.287 5.061 4.894 282 HD2 LYS 45 1HD LYS 45 1.645 3.728 7.007 283 HD3 LYS 45 2HD LYS 45 2.107 2.831 5.559 284 HE2 LYS 45 1HE LYS 45 4.198 4.352 7.040 285 HE3 LYS 45 2HE LYS 45 3.623 2.827 7.712 286 HZ1 LYS 45 3HZ LYS 45 4.705 3.169 4.967 287 HZ2 LYS 45 1HZ LYS 45 4.234 1.711 5.685 288 HZ3 LYS 45 2HZ LYS 45 5.575 2.552 6.280 289 H ARG 46 H ARG 46 0.458 8.464 6.825 290 HA ARG 46 HA ARG 46 -1.645 8.384 5.187 291 HB2 ARG 46 1HB ARG 46 -0.795 10.831 6.747 292 HB3 ARG 46 2HB ARG 46 -2.413 10.549 6.118 293 HG2 ARG 46 1HG ARG 46 -2.674 8.620 7.550 294 HG3 ARG 46 2HG ARG 46 -1.015 8.795 8.127 295 HD2 ARG 46 1HD ARG 46 -2.431 9.734 9.787 296 HD3 ARG 46 2HD ARG 46 -1.652 11.079 8.954 297 HE ARG 46 HE ARG 46 -4.112 10.554 7.716 298 HH11 ARG 46 2HH1 ARG 46 -2.840 11.777 10.717 299 HH12 ARG 46 1HH1 ARG 46 -4.208 12.791 11.035 300 HH21 ARG 46 2HH2 ARG 46 -5.919 11.884 8.123 301 HH22 ARG 46 1HH2 ARG 46 -5.960 12.850 9.559 302 H ALA 47 H ALA 47 0.790 10.981 5.014 303 HA ALA 47 HA ALA 47 -0.257 12.336 2.819 304 HB1 ALA 47 3HB ALA 47 2.190 12.356 4.328 305 HB2 ALA 47 1HB ALA 47 2.522 12.564 2.608 306 HB3 ALA 47 2HB ALA 47 1.414 13.662 3.432 307 H GLY 48 H GLY 48 -0.483 11.803 0.749 308 HA2 GLY 48 1HA GLY 48 -0.384 10.527 -1.169 309 HA3 GLY 48 2HA GLY 48 1.350 10.724 -0.960 310 H TRP 49 H TRP 49 -1.262 8.794 0.519 311 HA TRP 49 HA TRP 49 0.574 6.547 0.777 312 HB2 TRP 49 1HB TRP 49 -0.810 7.030 2.702 313 HB3 TRP 49 2HB TRP 49 -2.271 6.946 1.721 314 HD1 TRP 49 HD1 TRP 49 0.554 4.614 2.975 315 HE1 TRP 49 HE1 TRP 49 -0.414 2.239 3.193 316 HE3 TRP 49 HE3 TRP 49 -4.119 5.465 1.086 317 HZ2 TRP 49 HZ2 TRP 49 -2.837 0.903 2.637 318 HZ3 TRP 49 HZ3 TRP 49 -5.702 3.586 0.962 319 HH2 TRP 49 HH2 TRP 49 -5.072 1.352 1.722 320 H GLN 50 H GLN 50 0.368 4.606 -0.274 321 HA GLN 50 HA GLN 50 -1.712 4.443 -2.352 322 HB2 GLN 50 1HB GLN 50 1.239 4.041 -2.552 323 HB3 GLN 50 2HB GLN 50 0.188 3.047 -3.553 324 HG2 GLN 50 1HG GLN 50 -0.878 5.407 -4.113 325 HG3 GLN 50 2HG GLN 50 0.740 5.953 -3.677 326 HE21 GLN 50 1HE2 GLN 50 -0.908 3.526 -5.662 327 HE22 GLN 50 2HE2 GLN 50 0.214 3.584 -6.974 328 H CYS 51 H CYS 51 -3.062 2.888 -1.733 329 HA CYS 51 HA CYS 51 -2.733 0.909 0.099 330 HB2 CYS 51 1HB CYS 51 -4.684 -0.047 -0.702 331 HB3 CYS 51 2HB CYS 51 -4.800 1.581 -1.364 332 HA PRO 52 HA PRO 52 0.029 -2.144 -1.418 333 HB2 PRO 52 1HB PRO 52 -1.086 -4.422 -0.450 334 HB3 PRO 52 2HB PRO 52 -0.265 -3.243 0.579 335 HG2 PRO 52 1HG PRO 52 -3.195 -3.616 0.093 336 HG3 PRO 52 2HG PRO 52 -2.344 -3.307 1.618 337 HD2 PRO 52 1HD PRO 52 -3.633 -1.359 0.248 338 HD3 PRO 52 2HD PRO 52 -2.174 -1.045 1.211 339 H GLU 53 H GLU 53 -3.222 -2.061 -2.433 340 HA GLU 53 HA GLU 53 -2.957 -4.292 -4.280 341 HB2 GLU 53 1HB GLU 53 -5.241 -2.342 -3.932 342 HB3 GLU 53 2HB GLU 53 -5.276 -3.825 -4.874 343 HG2 GLU 53 1HG GLU 53 -4.570 -4.017 -2.000 344 HG3 GLU 53 2HG GLU 53 -6.250 -3.700 -2.428 345 H CYS 54 H CYS 54 -2.333 -0.965 -4.226 346 HA CYS 54 HA CYS 54 -2.328 -0.855 -7.171 347 HB2 CYS 54 1HB CYS 54 -2.744 1.316 -5.119 348 HB3 CYS 54 2HB CYS 54 -2.347 1.672 -6.797 349 H LYS 55 H LYS 55 -0.640 0.446 -4.314 350 HA LYS 55 HA LYS 55 1.557 1.597 -5.245 351 HB2 LYS 55 1HB LYS 55 2.654 1.062 -3.284 352 HB3 LYS 55 2HB LYS 55 0.983 0.745 -2.837 353 HG2 LYS 55 1HG LYS 55 1.328 -1.642 -3.276 354 HG3 LYS 55 2HG LYS 55 3.012 -1.312 -3.690 355 HD2 LYS 55 1HD LYS 55 3.352 -0.403 -1.414 356 HD3 LYS 55 2HD LYS 55 1.691 -0.847 -1.016 357 HE2 LYS 55 1HE LYS 55 2.913 -2.639 -0.195 358 HE3 LYS 55 2HE LYS 55 2.391 -3.216 -1.777 359 HZ1 LYS 55 3HZ LYS 55 4.619 -3.751 -1.741 360 HZ2 LYS 55 1HZ LYS 55 5.070 -2.342 -0.919 361 HZ3 LYS 55 2HZ LYS 55 4.640 -2.267 -2.553 362 H VAL 56 H VAL 56 3.420 1.149 -6.323 363 HA VAL 56 HA VAL 56 4.015 -1.631 -7.025 364 HB VAL 56 HB VAL 56 4.222 -1.213 -9.355 365 HG11 VAL 56 1HG1 VAL 56 1.688 0.261 -8.875 366 HG12 VAL 56 2HG1 VAL 56 2.013 -1.124 -9.919 367 HG13 VAL 56 3HG1 VAL 56 1.856 -1.349 -8.176 368 HG21 VAL 56 3HG2 VAL 56 5.076 0.839 -9.792 369 HG22 VAL 56 1HG2 VAL 56 3.378 1.234 -10.057 370 HG23 VAL 56 2HG2 VAL 56 4.142 1.620 -8.516 371 H CYS 57 H CYS 57 6.140 -1.557 -8.474 372 HA CYS 57 HA CYS 57 8.169 -0.497 -6.791 373 HB2 CYS 57 1HB CYS 57 8.375 -2.589 -8.157 374 HB3 CYS 57 2HB CYS 57 8.481 -1.580 -9.596 375 H GLN 58 H GLN 58 9.790 1.049 -7.323 376 HA GLN 58 HA GLN 58 8.829 3.117 -9.184 377 HB2 GLN 58 1HB GLN 58 10.498 3.322 -6.678 378 HB3 GLN 58 2HB GLN 58 10.293 4.656 -7.805 379 HG2 GLN 58 1HG GLN 58 8.003 3.260 -6.447 380 HG3 GLN 58 2HG GLN 58 8.793 4.701 -5.808 381 HE21 GLN 58 1HE2 GLN 58 6.201 3.675 -7.478 382 HE22 GLN 58 2HE2 GLN 58 5.850 5.092 -8.401 383 H ASN 59 H ASN 59 11.283 0.846 -8.629 384 HA ASN 59 HA ASN 59 13.342 2.264 -10.089 385 HB2 ASN 59 1HB ASN 59 13.212 -0.558 -9.007 386 HB3 ASN 59 2HB ASN 59 14.618 0.126 -9.817 387 HD21 ASN 59 1HD2 ASN 59 12.672 0.129 -6.952 388 HD22 ASN 59 2HD2 ASN 59 13.759 1.042 -5.966 389 H CYS 60 H CYS 60 11.152 -0.464 -10.619 390 HA CYS 60 HA CYS 60 11.909 -0.434 -13.467 391 HB2 CYS 60 1HB CYS 60 11.287 -2.742 -13.607 392 HB3 CYS 60 2HB CYS 60 12.333 -2.567 -12.202 393 H LYS 61 H LYS 61 9.315 -0.193 -11.172 394 HA LYS 61 HA LYS 61 7.161 0.516 -11.380 395 HB2 LYS 61 1HB LYS 61 7.889 1.104 -14.255 396 HB3 LYS 61 2HB LYS 61 6.484 1.716 -13.392 397 HG2 LYS 61 1HG LYS 61 9.167 2.279 -12.256 398 HG3 LYS 61 2HG LYS 61 8.672 3.157 -13.704 399 HD2 LYS 61 1HD LYS 61 6.454 3.490 -12.288 400 HD3 LYS 61 2HD LYS 61 7.574 3.258 -10.943 401 HE2 LYS 61 1HE LYS 61 8.842 5.136 -11.528 402 HE3 LYS 61 2HE LYS 61 8.169 5.194 -13.156 403 HZ1 LYS 61 3HZ LYS 61 6.662 6.617 -12.422 404 HZ2 LYS 61 1HZ LYS 61 7.268 6.510 -10.846 405 HZ3 LYS 61 2HZ LYS 61 6.055 5.449 -11.359 406 H GLN 62 H GLN 62 7.348 -2.096 -11.349 407 HA GLN 62 HA GLN 62 5.334 -2.958 -13.290 408 HB2 GLN 62 1HB GLN 62 6.525 -4.690 -14.150 409 HB3 GLN 62 2HB GLN 62 7.884 -3.650 -13.746 410 HG2 GLN 62 1HG GLN 62 8.196 -4.848 -11.651 411 HG3 GLN 62 2HG GLN 62 6.814 -5.877 -12.027 412 HE21 GLN 62 1HE2 GLN 62 9.916 -4.832 -13.385 413 HE22 GLN 62 2HE2 GLN 62 10.322 -6.359 -14.083 414 H SER 63 H SER 63 3.676 -3.872 -12.285 415 HA SER 63 HA SER 63 4.001 -4.721 -9.508 416 HB2 SER 63 1HB SER 63 1.626 -4.534 -9.306 417 HB3 SER 63 2HB SER 63 2.165 -3.123 -10.217 418 HG SER 63 HG SER 63 0.276 -4.489 -10.998 419 H GLY 64 H GLY 64 4.438 -6.789 -9.143 420 HA2 GLY 64 1HA GLY 64 2.791 -8.884 -10.107 421 HA3 GLY 64 2HA GLY 64 4.304 -8.855 -11.001 422 H GLU 65 H GLU 65 6.239 -8.424 -9.304 423 HA GLU 65 HA GLU 65 6.246 -10.797 -7.671 424 HB2 GLU 65 1HB GLU 65 8.361 -8.666 -8.034 425 HB3 GLU 65 2HB GLU 65 8.593 -10.206 -7.219 426 HG2 GLU 65 1HG GLU 65 7.790 -9.946 -10.104 427 HG3 GLU 65 2HG GLU 65 9.457 -10.108 -9.554 428 H ASP 66 H ASP 66 4.315 -9.172 -6.679 429 HA ASP 66 HA ASP 66 4.862 -7.281 -4.790 430 HB2 ASP 66 1HB ASP 66 2.877 -9.489 -4.265 431 HB3 ASP 66 2HB ASP 66 2.785 -7.801 -3.770 432 H SER 67 H SER 67 4.542 -10.755 -4.031 433 HA SER 67 HA SER 67 5.265 -10.811 -1.432 434 HB2 SER 67 1HB SER 67 6.361 -12.756 -3.476 435 HB3 SER 67 2HB SER 67 6.097 -13.062 -1.760 436 HG SER 67 HG SER 67 4.200 -13.711 -2.374 437 H LYS 68 H LYS 68 7.622 -11.004 -4.102 438 HA LYS 68 HA LYS 68 9.912 -10.857 -2.482 439 HB2 LYS 68 1HB LYS 68 9.641 -9.928 -5.346 440 HB3 LYS 68 2HB LYS 68 11.131 -10.377 -4.526 441 HG2 LYS 68 1HG LYS 68 8.967 -12.400 -4.648 442 HG3 LYS 68 2HG LYS 68 9.846 -12.037 -6.136 443 HD2 LYS 68 1HD LYS 68 11.973 -12.426 -4.856 444 HD3 LYS 68 2HD LYS 68 10.981 -13.011 -3.518 445 HE2 LYS 68 1HE LYS 68 10.065 -14.759 -4.938 446 HE3 LYS 68 2HE LYS 68 10.990 -14.152 -6.311 447 HZ1 LYS 68 3HZ LYS 68 11.796 -16.026 -4.446 448 HZ2 LYS 68 1HZ LYS 68 12.702 -14.636 -4.111 449 HZ3 LYS 68 2HZ LYS 68 12.740 -15.318 -5.658 450 H MET 69 H MET 69 7.877 -8.375 -3.902 451 HA MET 69 HA MET 69 9.593 -6.179 -3.466 452 HB2 MET 69 1HB MET 69 7.736 -5.952 -4.974 453 HB3 MET 69 2HB MET 69 6.588 -6.353 -3.704 454 HG2 MET 69 1HG MET 69 7.402 -4.268 -2.514 455 HG3 MET 69 2HG MET 69 8.202 -3.848 -4.026 456 HE1 MET 69 3HE MET 69 5.701 -2.233 -6.085 457 HE2 MET 69 1HE MET 69 7.372 -2.631 -5.683 458 HE3 MET 69 2HE MET 69 6.363 -3.809 -6.523 459 H LEU 70 H LEU 70 10.154 -5.160 -1.658 460 HA LEU 70 HA LEU 70 9.011 -5.985 0.864 461 HB2 LEU 70 1HB LEU 70 11.216 -4.055 0.170 462 HB3 LEU 70 2HB LEU 70 10.721 -4.432 1.819 463 HG LEU 70 HG LEU 70 11.232 -6.917 0.849 464 HD11 LEU 70 1HD1 LEU 70 12.200 -6.584 -1.174 465 HD12 LEU 70 2HD1 LEU 70 13.634 -6.384 -0.167 466 HD13 LEU 70 3HD1 LEU 70 12.771 -4.966 -0.762 467 HD21 LEU 70 3HD2 LEU 70 13.423 -5.199 1.969 468 HD22 LEU 70 1HD2 LEU 70 13.092 -6.906 2.264 469 HD23 LEU 70 2HD2 LEU 70 12.028 -5.673 2.941 470 H VAL 71 H VAL 71 7.902 -4.699 2.316 471 HA VAL 71 HA VAL 71 6.792 -2.212 1.191 472 HB VAL 71 HB VAL 71 5.553 -3.961 3.318 473 HG11 VAL 71 1HG1 VAL 71 5.035 -1.309 2.508 474 HG12 VAL 71 2HG1 VAL 71 3.713 -2.304 1.895 475 HG13 VAL 71 3HG1 VAL 71 4.098 -2.311 3.616 476 HG21 VAL 71 3HG2 VAL 71 5.499 -4.119 0.385 477 HG22 VAL 71 1HG2 VAL 71 5.156 -5.353 1.598 478 HG23 VAL 71 2HG2 VAL 71 3.917 -4.175 1.163 479 H CYS 72 H CYS 72 8.035 -0.610 1.994 480 HA CYS 72 HA CYS 72 9.385 -0.532 4.404 481 HB2 CYS 72 1HB CYS 72 9.787 1.095 2.638 482 HB3 CYS 72 2HB CYS 72 8.174 1.766 2.853 483 H ASP 73 H ASP 73 8.829 -0.258 6.471 484 HA ASP 73 HA ASP 73 6.027 -0.028 7.147 485 HB2 ASP 73 1HB ASP 73 8.465 -0.318 8.916 486 HB3 ASP 73 2HB ASP 73 6.793 -0.408 9.464 487 H THR 74 H THR 74 7.548 2.272 5.992 488 HA THR 74 HA THR 74 6.886 4.220 8.096 489 HB THR 74 HB THR 74 9.215 4.502 6.190 490 HG1 THR 74 HG1 THR 74 10.498 4.046 8.000 491 HG21 THR 74 3HG2 THR 74 9.220 6.127 8.593 492 HG22 THR 74 1HG2 THR 74 7.796 6.431 7.598 493 HG23 THR 74 2HG2 THR 74 9.409 6.610 6.908 494 H CYS 75 H CYS 75 7.395 3.684 4.628 495 HA CYS 75 HA CYS 75 5.470 5.852 4.094 496 HB2 CYS 75 1HB CYS 75 6.571 6.209 1.956 497 HB3 CYS 75 2HB CYS 75 7.752 6.324 3.257 498 H ASP 76 H ASP 76 6.541 2.617 3.201 499 HA ASP 76 HA ASP 76 5.374 0.841 2.365 500 HB2 ASP 76 1HB ASP 76 3.462 2.044 3.728 501 HB3 ASP 76 2HB ASP 76 2.854 2.432 2.120 502 H LYS 77 H LYS 77 6.884 2.067 0.614 503 HA LYS 77 HA LYS 77 5.357 2.933 -1.695 504 HB2 LYS 77 1HB LYS 77 8.290 2.707 -1.077 505 HB3 LYS 77 2HB LYS 77 7.732 2.986 -2.722 506 HG2 LYS 77 1HG LYS 77 6.843 4.750 -0.473 507 HG3 LYS 77 2HG LYS 77 8.388 5.008 -1.286 508 HD2 LYS 77 1HD LYS 77 7.212 5.181 -3.436 509 HD3 LYS 77 2HD LYS 77 5.672 4.951 -2.604 510 HE2 LYS 77 1HE LYS 77 7.529 7.150 -1.782 511 HE3 LYS 77 2HE LYS 77 6.471 7.353 -3.178 512 HZ1 LYS 77 3HZ LYS 77 5.104 8.123 -1.563 513 HZ2 LYS 77 1HZ LYS 77 5.796 7.176 -0.343 514 HZ3 LYS 77 2HZ LYS 77 4.707 6.483 -1.437 515 H GLY 78 H GLY 78 7.981 0.536 -1.350 516 HA2 GLY 78 1HA GLY 78 7.465 -1.820 -1.866 517 HA3 GLY 78 2HA GLY 78 6.447 -1.219 -3.167 518 H TYR 79 H TYR 79 9.378 -2.562 -2.475 519 HA TYR 79 HA TYR 79 10.399 -1.868 -5.115 520 HB2 TYR 79 1HB TYR 79 12.224 -1.697 -2.722 521 HB3 TYR 79 2HB TYR 79 12.550 -1.187 -4.375 522 HD1 TYR 79 HD2 TYR 79 11.523 0.877 -5.259 523 HD2 TYR 79 HD1 TYR 79 11.052 -0.274 -1.190 524 HE1 TYR 79 HE2 TYR 79 10.792 3.159 -4.704 525 HE2 TYR 79 HE1 TYR 79 10.318 2.004 -0.624 526 HH TYR 79 HH TYR 79 10.190 4.137 -1.372 527 H HIS 80 H HIS 80 10.942 -3.680 -6.116 528 HA HIS 80 HA HIS 80 10.938 -6.203 -4.912 529 HB2 HIS 80 1HB HIS 80 12.267 -5.393 -7.507 530 HB3 HIS 80 2HB HIS 80 11.837 -7.034 -7.034 531 HD2 HIS 80 HD2 HIS 80 8.848 -7.170 -6.547 532 HE1 HIS 80 HE1 HIS 80 8.215 -4.422 -9.717 533 HE2 HIS 80 HE2 HIS 80 7.139 -6.073 -8.149 534 H THR 81 H THR 81 12.492 -7.504 -4.078 535 HA THR 81 HA THR 81 14.686 -6.535 -2.790 536 HB THR 81 HB THR 81 15.649 -8.925 -3.056 537 HG1 THR 81 HG1 THR 81 14.624 -9.793 -4.757 538 HG21 THR 81 3HG2 THR 81 12.884 -8.577 -1.892 539 HG22 THR 81 1HG2 THR 81 14.385 -8.108 -1.095 540 HG23 THR 81 2HG2 THR 81 14.065 -9.807 -1.443 541 H PHE 82 H PHE 82 14.646 -7.941 -6.056 542 HA PHE 82 HA PHE 82 17.428 -7.550 -6.509 543 HB2 PHE 82 1HB PHE 82 16.704 -7.887 -8.960 544 HB3 PHE 82 2HB PHE 82 16.449 -9.219 -7.837 545 HD1 PHE 82 HD2 PHE 82 14.830 -6.591 -9.806 546 HD2 PHE 82 HD1 PHE 82 14.236 -9.900 -7.196 547 HE1 PHE 82 HE2 PHE 82 12.446 -6.635 -10.410 548 HE2 PHE 82 HE1 PHE 82 11.850 -9.950 -7.796 549 HZ PHE 82 HZ PHE 82 10.952 -8.315 -9.404 550 H CYS 83 H CYS 83 14.644 -5.532 -6.768 551 HA CYS 83 HA CYS 83 15.892 -3.613 -8.535 552 HB2 CYS 83 1HB CYS 83 13.265 -3.730 -7.074 553 HB3 CYS 83 2HB CYS 83 13.801 -2.249 -7.861 554 H LEU 84 H LEU 84 17.023 -4.320 -5.823 555 HA LEU 84 HA LEU 84 17.104 -1.588 -4.721 556 HB2 LEU 84 1HB LEU 84 17.400 -4.241 -3.328 557 HB3 LEU 84 2HB LEU 84 17.763 -2.691 -2.572 558 HG LEU 84 HG LEU 84 15.050 -3.512 -3.608 559 HD11 LEU 84 1HD1 LEU 84 14.735 -3.310 -0.957 560 HD12 LEU 84 2HD1 LEU 84 16.401 -3.887 -1.009 561 HD13 LEU 84 3HD1 LEU 84 15.118 -4.826 -1.772 562 HD21 LEU 84 3HD2 LEU 84 15.234 -1.367 -1.647 563 HD22 LEU 84 1HD2 LEU 84 14.342 -1.442 -3.167 564 HD23 LEU 84 2HD2 LEU 84 16.046 -0.986 -3.167 565 H GLN 85 H GLN 85 19.076 -0.683 -4.251 566 HA GLN 85 HA GLN 85 21.452 -2.248 -5.017 567 HB2 GLN 85 1HB GLN 85 22.429 -0.110 -5.861 568 HB3 GLN 85 2HB GLN 85 21.040 -0.673 -6.781 569 HG2 GLN 85 1HG GLN 85 20.472 1.506 -6.596 570 HG3 GLN 85 2HG GLN 85 19.755 0.917 -5.097 571 HE21 GLN 85 1HE2 GLN 85 19.984 3.270 -4.622 572 HE22 GLN 85 2HE2 GLN 85 21.461 3.794 -3.895 573 HA PRO 86 HA PRO 86 22.925 -3.168 -4.283 574 HB2 PRO 86 1HB PRO 86 23.372 -4.808 -2.167 575 HB3 PRO 86 2HB PRO 86 24.577 -3.662 -2.765 576 HG2 PRO 86 1HG PRO 86 22.704 -3.403 -0.444 577 HG3 PRO 86 2HG PRO 86 24.420 -2.967 -0.551 578 HD2 PRO 86 1HD PRO 86 22.436 -1.136 -0.757 579 HD3 PRO 86 2HD PRO 86 23.976 -0.976 -1.625 580 H VAL 87 H VAL 87 22.067 -5.439 -4.257 581 HA VAL 87 HA VAL 87 19.201 -5.360 -3.915 582 HB VAL 87 HB VAL 87 21.118 -7.296 -5.152 583 HG11 VAL 87 1HG1 VAL 87 19.668 -8.726 -3.855 584 HG12 VAL 87 2HG1 VAL 87 18.241 -7.891 -4.471 585 HG13 VAL 87 3HG1 VAL 87 19.242 -8.850 -5.562 586 HG21 VAL 87 3HG2 VAL 87 19.630 -6.989 -7.089 587 HG22 VAL 87 1HG2 VAL 87 18.620 -5.912 -6.125 588 HG23 VAL 87 2HG2 VAL 87 20.281 -5.459 -6.503 589 H MET 88 H MET 88 17.975 -6.903 -2.725 590 HA MET 88 HA MET 88 19.367 -7.824 -0.312 591 HB2 MET 88 1HB MET 88 16.442 -7.310 -0.866 592 HB3 MET 88 2HB MET 88 17.044 -8.008 0.632 593 HG2 MET 88 1HG MET 88 18.316 -5.996 1.088 594 HG3 MET 88 2HG MET 88 17.789 -5.299 -0.442 595 HE1 MET 88 3HE MET 88 15.650 -5.870 3.453 596 HE2 MET 88 1HE MET 88 15.060 -7.110 2.345 597 HE3 MET 88 2HE MET 88 16.787 -6.977 2.681 598 H LYS 89 H LYS 89 20.143 -9.823 -0.729 599 HA LYS 89 HA LYS 89 19.181 -11.767 -2.396 600 HB2 LYS 89 1HB LYS 89 20.616 -12.010 0.243 601 HB3 LYS 89 2HB LYS 89 20.253 -13.410 -0.757 602 HG2 LYS 89 1HG LYS 89 21.823 -11.039 -1.734 603 HG3 LYS 89 2HG LYS 89 22.558 -12.475 -1.018 604 HD2 LYS 89 1HD LYS 89 22.064 -13.792 -2.821 605 HD3 LYS 89 2HD LYS 89 20.627 -12.860 -3.245 606 HE2 LYS 89 1HE LYS 89 22.168 -12.395 -4.950 607 HE3 LYS 89 2HE LYS 89 22.236 -10.990 -3.887 608 HZ1 LYS 89 3HZ LYS 89 24.128 -12.586 -2.839 609 HZ2 LYS 89 1HZ LYS 89 24.428 -11.348 -3.953 610 HZ3 LYS 89 2HZ LYS 89 24.271 -12.945 -4.486 611 H SER 90 H SER 90 18.233 -11.175 0.965 612 HA SER 90 HA SER 90 15.835 -12.807 0.488 613 HB2 SER 90 1HB SER 90 16.000 -13.553 2.897 614 HB3 SER 90 2HB SER 90 17.242 -14.209 1.831 615 HG SER 90 HG SER 90 17.609 -11.897 3.430 616 H VAL 91 H VAL 91 14.280 -12.424 2.489 617 HA VAL 91 HA VAL 91 14.066 -9.503 2.788 618 HB VAL 91 HB VAL 91 11.913 -11.620 2.870 619 HG11 VAL 91 1HG1 VAL 91 11.524 -8.642 3.067 620 HG12 VAL 91 2HG1 VAL 91 10.321 -9.915 3.287 621 HG13 VAL 91 3HG1 VAL 91 11.605 -9.698 4.477 622 HG21 VAL 91 3HG2 VAL 91 12.878 -9.699 0.826 623 HG22 VAL 91 1HG2 VAL 91 12.221 -11.325 0.635 624 HG23 VAL 91 2HG2 VAL 91 11.138 -9.966 0.936 625 HA PRO 92 HA PRO 92 14.771 -9.984 7.122 626 HB2 PRO 92 1HB PRO 92 13.847 -7.558 7.917 627 HB3 PRO 92 2HB PRO 92 15.400 -7.774 7.099 628 HG2 PRO 92 1HG PRO 92 12.769 -6.901 5.969 629 HG3 PRO 92 2HG PRO 92 14.390 -6.254 5.657 630 HD2 PRO 92 1HD PRO 92 13.148 -7.953 3.953 631 HD3 PRO 92 2HD PRO 92 14.910 -7.932 4.165 632 H THR 93 H THR 93 13.548 -9.719 9.206 633 HA THR 93 HA THR 93 10.676 -10.254 8.811 634 HB THR 93 HB THR 93 11.758 -12.335 9.403 635 HG1 THR 93 HG1 THR 93 10.200 -12.765 10.776 636 HG21 THR 93 3HG2 THR 93 13.743 -11.957 10.470 637 HG22 THR 93 1HG2 THR 93 12.735 -12.302 11.875 638 HG23 THR 93 2HG2 THR 93 13.097 -10.632 11.438 639 H ASN 94 H ASN 94 13.072 -8.440 10.421 640 HA ASN 94 HA ASN 94 11.232 -7.570 12.522 641 HB2 ASN 94 1HB ASN 94 14.187 -7.206 12.076 642 HB3 ASN 94 2HB ASN 94 13.312 -6.239 13.259 643 HD21 ASN 94 1HD2 ASN 94 15.428 -8.078 13.774 644 HD22 ASN 94 2HD2 ASN 94 14.793 -9.317 14.797 645 H GLY 95 H GLY 95 10.240 -6.773 10.189 646 HA2 GLY 95 1HA GLY 95 9.457 -4.908 9.102 647 HA3 GLY 95 2HA GLY 95 10.125 -3.964 10.425 648 H TRP 96 H TRP 96 10.098 -3.852 7.321 649 HA TRP 96 HA TRP 96 12.995 -3.477 6.959 650 HB2 TRP 96 1HB TRP 96 11.944 -5.055 5.387 651 HB3 TRP 96 2HB TRP 96 10.831 -3.793 4.867 652 HD1 TRP 96 HD1 TRP 96 14.669 -4.391 4.934 653 HE1 TRP 96 HE1 TRP 96 15.674 -3.294 2.833 654 HE3 TRP 96 HE3 TRP 96 10.422 -2.304 2.999 655 HZ2 TRP 96 HZ2 TRP 96 14.784 -1.748 0.646 656 HZ3 TRP 96 HZ3 TRP 96 10.585 -1.031 0.899 657 HH2 TRP 96 HH2 TRP 96 12.721 -0.760 -0.251 658 H LYS 97 H LYS 97 13.800 -1.555 6.143 659 HA LYS 97 HA LYS 97 11.883 0.671 5.931 660 HB2 LYS 97 1HB LYS 97 13.456 0.456 8.056 661 HB3 LYS 97 2HB LYS 97 14.635 1.175 6.968 662 HG2 LYS 97 1HG LYS 97 12.874 2.971 6.530 663 HG3 LYS 97 2HG LYS 97 12.051 2.330 7.954 664 HD2 LYS 97 1HD LYS 97 14.952 2.994 8.137 665 HD3 LYS 97 2HD LYS 97 13.772 4.306 8.164 666 HE2 LYS 97 1HE LYS 97 12.910 3.672 10.181 667 HE3 LYS 97 2HE LYS 97 13.290 1.969 9.932 668 HZ1 LYS 97 3HZ LYS 97 15.279 2.199 10.892 669 HZ2 LYS 97 1HZ LYS 97 14.663 3.635 11.540 670 HZ3 LYS 97 2HZ LYS 97 15.604 3.676 10.135 671 H CYS 98 H CYS 98 11.986 1.716 4.060 672 HA CYS 98 HA CYS 98 13.943 1.060 2.095 673 HB2 CYS 98 1HB CYS 98 12.670 2.317 0.611 674 HB3 CYS 98 2HB CYS 98 11.466 1.819 1.795 675 H LYS 99 H LYS 99 15.124 2.819 0.875 676 HA LYS 99 HA LYS 99 16.916 4.125 2.638 677 HB2 LYS 99 1HB LYS 99 17.626 3.330 0.442 678 HB3 LYS 99 2HB LYS 99 16.520 4.450 -0.343 679 HG2 LYS 99 1HG LYS 99 17.883 6.244 0.999 680 HG3 LYS 99 2HG LYS 99 19.114 4.979 1.014 681 HD2 LYS 99 1HD LYS 99 19.216 4.920 -1.349 682 HD3 LYS 99 2HD LYS 99 17.741 5.877 -1.509 683 HE2 LYS 99 1HE LYS 99 19.152 7.646 -0.157 684 HE3 LYS 99 2HE LYS 99 20.509 6.738 -0.822 685 HZ1 LYS 99 3HZ LYS 99 20.026 7.382 -2.937 686 HZ2 LYS 99 1HZ LYS 99 19.459 8.744 -2.109 687 HZ3 LYS 99 2HZ LYS 99 18.370 7.565 -2.643 688 H ASN 100 H ASN 100 14.658 5.501 0.238 689 HA ASN 100 HA ASN 100 14.887 8.148 0.718 690 HB2 ASN 100 1HB ASN 100 12.546 6.432 0.032 691 HB3 ASN 100 2HB ASN 100 12.240 8.116 0.448 692 HD21 ASN 100 1HD2 ASN 100 14.369 6.137 -1.580 693 HD22 ASN 100 2HD2 ASN 100 14.382 7.224 -2.924 694 H CYS 101 H CYS 101 13.629 5.786 2.906 695 HA CYS 101 HA CYS 101 12.564 7.834 4.699 696 HB2 CYS 101 1HB CYS 101 12.322 4.858 4.520 697 HB3 CYS 101 2HB CYS 101 12.058 5.640 6.075 698 H ARG 102 H ARG 102 15.212 5.580 4.387 699 HA ARG 102 HA ARG 102 16.174 5.437 6.965 700 HB2 ARG 102 1HB ARG 102 18.096 4.596 6.058 701 HB3 ARG 102 2HB ARG 102 17.052 4.474 4.649 702 HG2 ARG 102 1HG ARG 102 17.946 6.571 3.790 703 HG3 ARG 102 2HG ARG 102 18.979 6.717 5.214 704 HD2 ARG 102 1HD ARG 102 19.084 4.326 3.398 705 HD3 ARG 102 2HD ARG 102 20.032 5.779 3.086 706 HE ARG 102 HE ARG 102 20.440 4.899 5.739 707 HH11 ARG 102 2HH1 ARG 102 21.230 4.097 2.445 708 HH12 ARG 102 1HH1 ARG 102 22.719 3.312 2.855 709 HH21 ARG 102 2HH2 ARG 102 22.399 3.868 6.292 710 HH22 ARG 102 1HH2 ARG 102 23.382 3.182 5.044 711 H ILE 103 H ILE 103 16.410 8.077 4.671 712 HA ILE 103 HA ILE 103 18.391 9.653 5.652 713 HB ILE 103 HB ILE 103 15.664 10.456 4.661 714 HG12 ILE 103 1HG1 ILE 103 17.441 11.366 2.849 715 HG13 ILE 103 2HG1 ILE 103 18.350 10.001 3.489 716 HG21 ILE 103 1HG2 ILE 103 17.424 12.634 4.415 717 HG22 ILE 103 2HG2 ILE 103 15.975 12.520 5.413 718 HG23 ILE 103 3HG2 ILE 103 17.545 12.077 6.084 719 HD11 ILE 103 3HD1 ILE 103 16.972 9.518 1.465 720 HD12 ILE 103 1HD1 ILE 103 16.656 8.472 2.849 721 HD13 ILE 103 2HD1 ILE 103 15.538 9.780 2.457 722 H CYS 104 H CYS 104 18.844 10.697 7.484 723 HA CYS 104 HA CYS 104 17.144 10.399 9.762 724 HB2 CYS 104 1HB CYS 104 18.898 11.655 10.956 725 HB3 CYS 104 2HB CYS 104 19.569 10.334 10.008 726 HG CYS 104 HG CYS 104 21.101 12.843 10.048 727 H ILE 105 H ILE 105 16.603 12.290 11.180 728 HA ILE 105 HA ILE 105 15.918 14.686 9.621 729 HB ILE 105 HB ILE 105 13.914 13.254 9.778 730 HG12 ILE 105 1HG1 ILE 105 13.555 15.650 11.572 731 HG13 ILE 105 2HG1 ILE 105 13.884 15.817 9.851 732 HG21 ILE 105 1HG2 ILE 105 14.449 13.495 12.722 733 HG22 ILE 105 2HG2 ILE 105 12.848 13.113 12.090 734 HG23 ILE 105 3HG2 ILE 105 14.206 12.036 11.762 735 HD11 ILE 105 3HD1 ILE 105 11.854 14.371 9.459 736 HD12 ILE 105 1HD1 ILE 105 11.488 14.586 11.170 737 HD13 ILE 105 2HD1 ILE 105 11.554 15.987 10.100 738 H SER 106 H SER 106 15.895 16.617 10.753 739 HA SER 106 HA SER 106 17.682 16.996 12.797 740 HB2 SER 106 1HB SER 106 16.372 18.707 11.292 741 HB3 SER 106 2HB SER 106 15.265 18.764 12.664 742 HG SER 106 HG SER 106 16.783 20.325 13.016 743 H GLY 107 H GLY 107 17.614 15.772 14.604 744 HA2 GLY 107 1HA GLY 107 15.479 16.316 16.494 745 HA3 GLY 107 2HA GLY 107 15.606 14.641 15.977 746 HA PRO 108 HA PRO 108 18.778 15.930 19.368 747 HB2 PRO 108 1HB PRO 108 17.351 15.468 21.631 748 HB3 PRO 108 2HB PRO 108 17.427 17.052 20.850 749 HG2 PRO 108 1HG PRO 108 15.291 14.960 20.688 750 HG3 PRO 108 2HG PRO 108 15.126 16.717 20.865 751 HD2 PRO 108 1HD PRO 108 14.802 15.455 18.491 752 HD3 PRO 108 2HD PRO 108 15.456 17.101 18.616 753 H SER 109 H SER 109 19.286 14.421 21.386 754 HA SER 109 HA SER 109 18.961 11.653 20.434 755 HB2 SER 109 1HB SER 109 21.280 12.386 20.372 756 HB3 SER 109 2HB SER 109 21.194 12.896 22.058 757 HG SER 109 HG SER 109 20.636 10.598 22.466 758 H SER 110 H SER 110 19.151 13.655 23.355 759 HA SER 110 HA SER 110 17.853 11.484 24.859 760 HB2 SER 110 1HB SER 110 19.666 13.734 25.692 761 HB3 SER 110 2HB SER 110 18.612 12.947 26.867 762 HG SER 110 HG SER 110 20.450 11.785 26.939 763 H GLY 111 H GLY 111 17.912 15.057 24.830 764 HA2 GLY 111 1HA GLY 111 15.479 15.415 26.166 765 HA3 GLY 111 2HA GLY 111 16.233 16.597 25.106 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -28.671 -1.978 -4.421 2 HA2 GLY 1 1HA GLY 1 -28.992 -3.078 -1.775 3 HA3 GLY 1 2HA GLY 1 -27.355 -3.222 -2.397 4 H SER 2 H SER 2 -26.147 -1.322 -2.816 5 HA SER 2 HA SER 2 -27.246 1.114 -1.577 6 HB2 SER 2 1HB SER 2 -24.899 1.571 -0.762 7 HB3 SER 2 2HB SER 2 -25.700 0.206 0.016 8 HG SER 2 HG SER 2 -24.389 -1.167 -0.992 9 H SER 3 H SER 3 -27.769 1.830 -3.707 10 HA SER 3 HA SER 3 -25.464 2.467 -5.415 11 HB2 SER 3 1HB SER 3 -28.389 2.084 -5.960 12 HB3 SER 3 2HB SER 3 -27.409 3.044 -7.069 13 HG SER 3 HG SER 3 -27.307 0.971 -7.800 14 H GLY 4 H GLY 4 -24.712 4.475 -5.411 15 HA2 GLY 4 1HA GLY 4 -25.866 6.829 -5.840 16 HA3 GLY 4 2HA GLY 4 -26.280 6.585 -4.150 17 H SER 5 H SER 5 -24.310 5.935 -2.761 18 HA SER 5 HA SER 5 -22.199 7.879 -3.354 19 HB2 SER 5 1HB SER 5 -22.784 6.458 -0.747 20 HB3 SER 5 2HB SER 5 -21.673 7.806 -0.985 21 HG SER 5 HG SER 5 -23.499 8.753 -0.285 22 H SER 6 H SER 6 -20.246 7.242 -3.969 23 HA SER 6 HA SER 6 -19.505 4.736 -4.701 24 HB2 SER 6 1HB SER 6 -17.595 6.758 -3.508 25 HB3 SER 6 2HB SER 6 -17.196 5.474 -4.649 26 HG SER 6 HG SER 6 -18.678 7.834 -5.086 27 H GLY 7 H GLY 7 -18.156 3.093 -3.799 28 HA2 GLY 7 1HA GLY 7 -18.827 2.487 -1.076 29 HA3 GLY 7 2HA GLY 7 -17.842 1.506 -2.150 30 H ALA 8 H ALA 8 -17.781 4.374 -0.079 31 HA ALA 8 HA ALA 8 -14.882 4.394 -0.034 32 HB1 ALA 8 3HB ALA 8 -16.303 6.476 -0.024 33 HB2 ALA 8 1HB ALA 8 -16.733 6.077 1.639 34 HB3 ALA 8 2HB ALA 8 -15.051 6.400 1.216 35 H ASN 9 H ASN 9 -16.377 2.076 1.037 36 HA ASN 9 HA ASN 9 -15.803 2.225 3.898 37 HB2 ASN 9 1HB ASN 9 -17.393 0.379 2.163 38 HB3 ASN 9 2HB ASN 9 -16.787 -0.216 3.705 39 HD21 ASN 9 1HD2 ASN 9 -19.384 -0.244 3.509 40 HD22 ASN 9 2HD2 ASN 9 -20.127 1.053 4.376 41 H CYS 10 H CYS 10 -14.684 0.365 4.914 42 HA CYS 10 HA CYS 10 -12.120 0.015 3.888 43 HB2 CYS 10 1HB CYS 10 -12.948 -0.322 6.288 44 HB3 CYS 10 2HB CYS 10 -13.433 -1.935 5.775 45 H ALA 11 H ALA 11 -11.408 -1.141 2.235 46 HA ALA 11 HA ALA 11 -13.060 -3.025 0.872 47 HB1 ALA 11 3HB ALA 11 -10.186 -2.210 0.524 48 HB2 ALA 11 1HB ALA 11 -10.979 -3.405 -0.502 49 HB3 ALA 11 2HB ALA 11 -11.577 -1.746 -0.456 50 H VAL 12 H VAL 12 -11.663 -3.395 3.727 51 HA VAL 12 HA VAL 12 -10.831 -6.180 3.235 52 HB VAL 12 HB VAL 12 -10.082 -4.408 5.565 53 HG11 VAL 12 1HG1 VAL 12 -8.404 -6.269 5.953 54 HG12 VAL 12 2HG1 VAL 12 -10.088 -6.641 6.327 55 HG13 VAL 12 3HG1 VAL 12 -9.363 -7.234 4.832 56 HG21 VAL 12 3HG2 VAL 12 -7.813 -5.191 4.100 57 HG22 VAL 12 1HG2 VAL 12 -8.993 -4.613 2.924 58 HG23 VAL 12 2HG2 VAL 12 -8.493 -3.571 4.256 59 H CYS 13 H CYS 13 -12.382 -4.122 5.699 60 HA CYS 13 HA CYS 13 -13.844 -6.476 6.667 61 HB2 CYS 13 1HB CYS 13 -14.235 -5.263 8.698 62 HB3 CYS 13 2HB CYS 13 -12.531 -5.083 8.295 63 H ASP 14 H ASP 14 -14.240 -3.952 4.572 64 HA ASP 14 HA ASP 14 -16.023 -2.870 3.646 65 HB2 ASP 14 1HB ASP 14 -17.909 -4.259 3.119 66 HB3 ASP 14 2HB ASP 14 -16.467 -5.269 3.062 67 H SER 15 H SER 15 -15.552 -2.082 6.271 68 HA SER 15 HA SER 15 -18.269 -1.351 7.096 69 HB2 SER 15 1HB SER 15 -16.220 -2.770 8.728 70 HB3 SER 15 2HB SER 15 -17.177 -1.523 9.529 71 HG SER 15 HG SER 15 -18.493 -3.428 7.954 72 HA PRO 16 HA PRO 16 -16.553 2.701 7.230 73 HB2 PRO 16 1HB PRO 16 -18.413 3.892 8.809 74 HB3 PRO 16 2HB PRO 16 -18.721 3.455 7.124 75 HG2 PRO 16 1HG PRO 16 -19.486 2.004 9.628 76 HG3 PRO 16 2HG PRO 16 -20.446 2.296 8.166 77 HD2 PRO 16 1HD PRO 16 -19.218 -0.068 8.654 78 HD3 PRO 16 2HD PRO 16 -19.447 0.568 7.013 79 H GLY 17 H GLY 17 -17.812 1.589 10.388 80 HA2 GLY 17 1HA GLY 17 -17.054 2.160 12.519 81 HA3 GLY 17 2HA GLY 17 -15.634 1.335 11.893 82 H ASP 18 H ASP 18 -13.914 2.447 12.548 83 HA ASP 18 HA ASP 18 -13.993 5.324 12.808 84 HB2 ASP 18 1HB ASP 18 -11.853 3.260 13.324 85 HB3 ASP 18 2HB ASP 18 -11.563 4.989 13.491 86 H LEU 19 H LEU 19 -13.645 6.642 11.159 87 HA LEU 19 HA LEU 19 -12.184 5.677 8.820 88 HB2 LEU 19 1HB LEU 19 -14.165 7.817 9.346 89 HB3 LEU 19 2HB LEU 19 -12.989 8.106 8.065 90 HG LEU 19 HG LEU 19 -14.468 5.534 8.004 91 HD11 LEU 19 1HD1 LEU 19 -15.713 8.203 7.380 92 HD12 LEU 19 2HD1 LEU 19 -16.284 6.990 8.525 93 HD13 LEU 19 3HD1 LEU 19 -16.337 6.661 6.794 94 HD21 LEU 19 3HD2 LEU 19 -12.877 7.168 6.261 95 HD22 LEU 19 1HD2 LEU 19 -14.457 6.867 5.538 96 HD23 LEU 19 2HD2 LEU 19 -13.443 5.512 6.035 97 H LEU 20 H LEU 20 -11.945 7.980 11.421 98 HA LEU 20 HA LEU 20 -10.067 9.763 10.489 99 HB2 LEU 20 1HB LEU 20 -10.716 8.640 13.159 100 HB3 LEU 20 2HB LEU 20 -9.214 9.549 12.996 101 HG LEU 20 HG LEU 20 -10.974 10.982 13.830 102 HD11 LEU 20 1HD1 LEU 20 -10.908 12.074 11.134 103 HD12 LEU 20 2HD1 LEU 20 -9.328 11.535 11.700 104 HD13 LEU 20 3HD1 LEU 20 -10.244 12.717 12.636 105 HD21 LEU 20 3HD2 LEU 20 -12.867 11.515 12.168 106 HD22 LEU 20 1HD2 LEU 20 -12.981 10.038 13.125 107 HD23 LEU 20 2HD2 LEU 20 -12.466 9.960 11.439 108 H ASP 21 H ASP 21 -9.651 6.425 11.374 109 HA ASP 21 HA ASP 21 -6.748 6.671 10.946 110 HB2 ASP 21 1HB ASP 21 -8.308 4.500 12.365 111 HB3 ASP 21 2HB ASP 21 -6.562 4.507 12.132 112 H GLN 22 H GLN 22 -8.605 6.623 8.780 113 HA GLN 22 HA GLN 22 -8.047 3.979 7.606 114 HB2 GLN 22 1HB GLN 22 -10.335 5.879 7.288 115 HB3 GLN 22 2HB GLN 22 -9.912 4.817 5.951 116 HG2 GLN 22 1HG GLN 22 -10.051 2.919 7.657 117 HG3 GLN 22 2HG GLN 22 -10.874 4.087 8.691 118 HE21 GLN 22 1HE2 GLN 22 -10.972 2.719 5.428 119 HE22 GLN 22 2HE2 GLN 22 -12.693 2.739 5.282 120 H PHE 23 H PHE 23 -6.596 3.915 6.031 121 HA PHE 23 HA PHE 23 -5.373 6.284 5.030 122 HB2 PHE 23 1HB PHE 23 -5.096 3.365 4.327 123 HB3 PHE 23 2HB PHE 23 -4.193 4.622 3.488 124 HD1 PHE 23 HD1 PHE 23 -2.584 6.033 4.763 125 HD2 PHE 23 HD2 PHE 23 -4.441 2.597 6.455 126 HE1 PHE 23 HE1 PHE 23 -0.866 5.975 6.523 127 HE2 PHE 23 HE2 PHE 23 -2.726 2.534 8.218 128 HZ PHE 23 HZ PHE 23 -0.936 4.225 8.255 129 H PHE 24 H PHE 24 -5.122 6.747 2.693 130 HA PHE 24 HA PHE 24 -7.464 5.996 1.095 131 HB2 PHE 24 1HB PHE 24 -8.129 8.109 1.947 132 HB3 PHE 24 2HB PHE 24 -6.525 8.795 1.706 133 HD1 PHE 24 HD1 PHE 24 -9.557 7.606 -0.032 134 HD2 PHE 24 HD2 PHE 24 -5.917 9.790 -0.341 135 HE1 PHE 24 HE1 PHE 24 -10.261 8.462 -2.229 136 HE2 PHE 24 HE2 PHE 24 -6.615 10.650 -2.538 137 HZ PHE 24 HZ PHE 24 -8.790 9.987 -3.485 138 H CYS 25 H CYS 25 -6.739 5.099 -0.707 139 HA CYS 25 HA CYS 25 -4.066 5.430 -1.635 140 HB2 CYS 25 1HB CYS 25 -5.321 3.334 -1.947 141 HB3 CYS 25 2HB CYS 25 -6.446 4.168 -3.014 142 H THR 26 H THR 26 -3.388 6.282 -3.669 143 HA THR 26 HA THR 26 -4.953 8.626 -4.465 144 HB THR 26 HB THR 26 -2.850 9.322 -5.646 145 HG1 THR 26 HG1 THR 26 -2.062 7.017 -5.622 146 HG21 THR 26 3HG2 THR 26 -1.718 9.052 -3.037 147 HG22 THR 26 1HG2 THR 26 -3.451 9.333 -2.882 148 HG23 THR 26 2HG2 THR 26 -2.450 10.472 -3.782 149 H THR 27 H THR 27 -3.783 5.580 -5.653 150 HA THR 27 HA THR 27 -4.211 6.164 -8.431 151 HB THR 27 HB THR 27 -3.883 3.486 -7.063 152 HG1 THR 27 HG1 THR 27 -1.954 5.033 -8.478 153 HG21 THR 27 3HG2 THR 27 -2.944 3.270 -9.642 154 HG22 THR 27 1HG2 THR 27 -4.387 4.266 -9.830 155 HG23 THR 27 2HG2 THR 27 -4.502 2.682 -9.063 156 H CYS 28 H CYS 28 -5.787 3.775 -6.296 157 HA CYS 28 HA CYS 28 -8.137 3.791 -7.999 158 HB2 CYS 28 1HB CYS 28 -8.904 1.927 -6.673 159 HB3 CYS 28 2HB CYS 28 -7.206 1.672 -7.065 160 H GLY 29 H GLY 29 -7.306 4.582 -4.639 161 HA2 GLY 29 1HA GLY 29 -8.235 6.398 -3.445 162 HA3 GLY 29 2HA GLY 29 -9.577 6.426 -4.579 163 H GLN 30 H GLN 30 -8.299 3.658 -2.781 164 HA GLN 30 HA GLN 30 -10.979 3.203 -1.709 165 HB2 GLN 30 1HB GLN 30 -8.536 1.475 -1.999 166 HB3 GLN 30 2HB GLN 30 -9.872 0.996 -0.960 167 HG2 GLN 30 1HG GLN 30 -10.531 1.794 -3.732 168 HG3 GLN 30 2HG GLN 30 -9.693 0.261 -3.503 169 HE21 GLN 30 1HE2 GLN 30 -12.429 2.105 -2.207 170 HE22 GLN 30 2HE2 GLN 30 -13.470 0.743 -1.997 171 H HIS 31 H HIS 31 -10.895 2.099 0.570 172 HA HIS 31 HA HIS 31 -9.113 3.673 2.307 173 HB2 HIS 31 1HB HIS 31 -12.007 3.015 2.890 174 HB3 HIS 31 2HB HIS 31 -10.928 3.981 3.891 175 HD1 HIS 31 HD1 HIS 31 -11.707 6.319 3.745 176 HD2 HIS 31 HD2 HIS 31 -11.827 4.420 0.052 177 HE1 HIS 31 HE1 HIS 31 -12.433 8.082 2.106 178 HE2 HIS 31 HE2 HIS 31 -12.581 6.890 -0.107 179 H TYR 32 H TYR 32 -8.488 2.702 4.268 180 HA TYR 32 HA TYR 32 -9.309 -0.010 4.847 181 HB2 TYR 32 1HB TYR 32 -6.389 0.511 4.289 182 HB3 TYR 32 2HB TYR 32 -7.162 -1.036 4.618 183 HD1 TYR 32 HD2 TYR 32 -7.209 1.761 2.148 184 HD2 TYR 32 HD1 TYR 32 -7.773 -2.399 2.843 185 HE1 TYR 32 HE2 TYR 32 -7.507 1.404 -0.267 186 HE2 TYR 32 HE1 TYR 32 -8.071 -2.768 0.429 187 HH TYR 32 HH TYR 32 -7.180 -0.629 -1.881 188 H HIS 33 H HIS 33 -8.743 -0.695 6.931 189 HA HIS 33 HA HIS 33 -8.104 1.487 8.746 190 HB2 HIS 33 1HB HIS 33 -9.093 -1.331 9.201 191 HB3 HIS 33 2HB HIS 33 -8.695 -0.224 10.513 192 HD2 HIS 33 HD2 HIS 33 -10.249 2.417 9.813 193 HE1 HIS 33 HE1 HIS 33 -13.619 -0.023 8.983 194 HE2 HIS 33 HE2 HIS 33 -12.801 2.322 9.401 195 H GLY 34 H GLY 34 -6.524 1.269 10.440 196 HA2 GLY 34 1HA GLY 34 -4.029 0.310 9.500 197 HA3 GLY 34 2HA GLY 34 -4.357 0.917 11.117 198 H MET 35 H MET 35 -6.487 -1.099 11.541 199 HA MET 35 HA MET 35 -4.740 -3.233 12.435 200 HB2 MET 35 1HB MET 35 -6.342 -2.483 14.036 201 HB3 MET 35 2HB MET 35 -7.662 -2.637 12.885 202 HG2 MET 35 1HG MET 35 -7.830 -4.884 13.159 203 HG3 MET 35 2HG MET 35 -6.119 -5.079 13.532 204 HE1 MET 35 3HE MET 35 -5.439 -4.447 16.834 205 HE2 MET 35 1HE MET 35 -5.250 -3.485 15.368 206 HE3 MET 35 2HE MET 35 -6.216 -2.868 16.708 207 H CYS 36 H CYS 36 -7.542 -2.841 10.299 208 HA CYS 36 HA CYS 36 -7.987 -5.472 9.592 209 HB2 CYS 36 1HB CYS 36 -8.335 -2.876 8.134 210 HB3 CYS 36 2HB CYS 36 -8.641 -4.393 7.296 211 H LEU 37 H LEU 37 -5.503 -3.265 8.461 212 HA LEU 37 HA LEU 37 -4.412 -5.408 6.763 213 HB2 LEU 37 1HB LEU 37 -4.234 -2.421 6.620 214 HB3 LEU 37 2HB LEU 37 -3.037 -3.437 5.820 215 HG LEU 37 HG LEU 37 -5.998 -3.588 5.273 216 HD11 LEU 37 1HD1 LEU 37 -5.812 -2.069 3.585 217 HD12 LEU 37 2HD1 LEU 37 -4.091 -2.371 3.349 218 HD13 LEU 37 3HD1 LEU 37 -4.635 -1.394 4.712 219 HD21 LEU 37 3HD2 LEU 37 -5.530 -5.261 3.871 220 HD22 LEU 37 1HD2 LEU 37 -3.980 -5.374 4.706 221 HD23 LEU 37 2HD2 LEU 37 -4.114 -4.432 3.221 222 H ASP 38 H ASP 38 -4.069 -4.186 9.752 223 HA ASP 38 HA ASP 38 -2.419 -4.147 11.320 224 HB2 ASP 38 1HB ASP 38 -1.202 -6.175 9.432 225 HB3 ASP 38 2HB ASP 38 -0.649 -5.877 11.078 226 H ILE 39 H ILE 39 -2.281 -2.031 9.576 227 HA ILE 39 HA ILE 39 0.566 -1.740 8.922 228 HB ILE 39 HB ILE 39 -1.788 -0.026 8.120 229 HG12 ILE 39 1HG1 ILE 39 -0.076 -1.931 6.508 230 HG13 ILE 39 2HG1 ILE 39 -1.732 -2.230 7.022 231 HG21 ILE 39 1HG2 ILE 39 1.038 0.506 8.133 232 HG22 ILE 39 2HG2 ILE 39 0.414 0.511 6.484 233 HG23 ILE 39 3HG2 ILE 39 -0.300 1.570 7.700 234 HD11 ILE 39 3HD1 ILE 39 -2.209 -1.485 4.963 235 HD12 ILE 39 1HD1 ILE 39 -2.054 0.100 5.720 236 HD13 ILE 39 2HD1 ILE 39 -0.700 -0.585 4.820 237 H ALA 40 H ALA 40 1.830 -0.159 9.811 238 HA ALA 40 HA ALA 40 0.985 0.896 12.346 239 HB1 ALA 40 3HB ALA 40 3.163 0.726 12.725 240 HB2 ALA 40 1HB ALA 40 3.467 0.402 11.018 241 HB3 ALA 40 2HB ALA 40 3.439 2.064 11.608 242 H VAL 41 H VAL 41 -0.483 2.507 12.225 243 HA VAL 41 HA VAL 41 -0.667 4.448 10.219 244 HB VAL 41 HB VAL 41 -1.585 4.646 13.091 245 HG11 VAL 41 1HG1 VAL 41 -1.665 6.831 12.287 246 HG12 VAL 41 2HG1 VAL 41 -2.130 6.318 10.663 247 HG13 VAL 41 3HG1 VAL 41 -3.292 6.221 11.987 248 HG21 VAL 41 3HG2 VAL 41 -2.454 2.694 11.803 249 HG22 VAL 41 1HG2 VAL 41 -3.702 3.826 12.325 250 HG23 VAL 41 2HG2 VAL 41 -3.154 3.829 10.649 251 H THR 42 H THR 42 0.577 6.127 9.754 252 HA THR 42 HA THR 42 1.975 7.534 11.909 253 HB THR 42 HB THR 42 3.759 6.198 11.207 254 HG1 THR 42 HG1 THR 42 4.862 7.989 10.987 255 HG21 THR 42 3HG2 THR 42 2.323 5.611 9.021 256 HG22 THR 42 1HG2 THR 42 4.047 5.266 9.154 257 HG23 THR 42 2HG2 THR 42 3.500 6.710 8.302 258 HA PRO 43 HA PRO 43 0.630 11.131 9.766 259 HB2 PRO 43 1HB PRO 43 2.484 12.912 10.637 260 HB3 PRO 43 2HB PRO 43 1.184 12.298 11.665 261 HG2 PRO 43 1HG PRO 43 4.048 11.439 11.516 262 HG3 PRO 43 2HG PRO 43 3.031 11.699 12.946 263 HD2 PRO 43 1HD PRO 43 3.535 9.234 11.947 264 HD3 PRO 43 2HD PRO 43 2.004 9.646 12.745 265 H LEU 44 H LEU 44 3.323 9.430 8.924 266 HA LEU 44 HA LEU 44 4.219 11.380 6.920 267 HB2 LEU 44 1HB LEU 44 6.003 10.494 8.246 268 HB3 LEU 44 2HB LEU 44 5.463 8.841 7.958 269 HG LEU 44 HG LEU 44 5.970 9.407 5.462 270 HD11 LEU 44 1HD1 LEU 44 8.190 11.059 6.325 271 HD12 LEU 44 2HD1 LEU 44 6.632 11.841 6.591 272 HD13 LEU 44 3HD1 LEU 44 7.072 11.278 4.978 273 HD21 LEU 44 3HD2 LEU 44 7.551 8.380 7.649 274 HD22 LEU 44 1HD2 LEU 44 8.570 9.105 6.405 275 HD23 LEU 44 2HD2 LEU 44 7.439 7.820 5.980 276 H LYS 45 H LYS 45 2.796 8.208 7.315 277 HA LYS 45 HA LYS 45 2.907 7.600 4.491 278 HB2 LYS 45 1HB LYS 45 2.951 5.950 6.518 279 HB3 LYS 45 2HB LYS 45 1.201 6.113 6.457 280 HG2 LYS 45 1HG LYS 45 1.232 5.367 4.115 281 HG3 LYS 45 2HG LYS 45 2.980 5.150 4.227 282 HD2 LYS 45 1HD LYS 45 1.120 3.790 6.148 283 HD3 LYS 45 2HD LYS 45 1.463 3.094 4.563 284 HE2 LYS 45 1HE LYS 45 3.919 3.316 5.159 285 HE3 LYS 45 2HE LYS 45 3.388 3.660 6.805 286 HZ1 LYS 45 3HZ LYS 45 3.772 1.385 6.797 287 HZ2 LYS 45 1HZ LYS 45 3.098 1.160 5.262 288 HZ3 LYS 45 2HZ LYS 45 2.097 1.483 6.586 289 H ARG 46 H ARG 46 0.357 8.322 6.867 290 HA ARG 46 HA ARG 46 -1.932 8.164 5.533 291 HB2 ARG 46 1HB ARG 46 -0.975 10.510 7.169 292 HB3 ARG 46 2HB ARG 46 -2.633 10.360 6.600 293 HG2 ARG 46 1HG ARG 46 -2.844 8.241 7.824 294 HG3 ARG 46 2HG ARG 46 -1.198 8.445 8.426 295 HD2 ARG 46 1HD ARG 46 -2.718 9.189 10.121 296 HD3 ARG 46 2HD ARG 46 -1.904 10.600 9.447 297 HE ARG 46 HE ARG 46 -4.713 9.928 9.223 298 HH11 ARG 46 2HH1 ARG 46 -2.068 11.874 8.065 299 HH12 ARG 46 1HH1 ARG 46 -3.093 13.098 7.391 300 HH21 ARG 46 2HH2 ARG 46 -6.072 11.534 8.340 301 HH22 ARG 46 1HH2 ARG 46 -5.370 12.904 7.549 302 H ALA 47 H ALA 47 0.543 10.583 4.886 303 HA ALA 47 HA ALA 47 -1.006 12.019 2.955 304 HB1 ALA 47 3HB ALA 47 0.833 13.056 4.227 305 HB2 ALA 47 1HB ALA 47 1.982 12.028 3.369 306 HB3 ALA 47 2HB ALA 47 1.038 13.226 2.483 307 H GLY 48 H GLY 48 -1.416 11.447 0.927 308 HA2 GLY 48 1HA GLY 48 -1.393 10.186 -1.004 309 HA3 GLY 48 2HA GLY 48 0.316 10.596 -1.000 310 H TRP 49 H TRP 49 -1.846 8.359 0.749 311 HA TRP 49 HA TRP 49 0.243 6.393 0.971 312 HB2 TRP 49 1HB TRP 49 -1.295 6.502 2.790 313 HB3 TRP 49 2HB TRP 49 -2.683 6.389 1.711 314 HD1 TRP 49 HD1 TRP 49 0.300 4.168 2.823 315 HE1 TRP 49 HE1 TRP 49 -0.501 1.722 2.839 316 HE3 TRP 49 HE3 TRP 49 -4.437 4.854 1.028 317 HZ2 TRP 49 HZ2 TRP 49 -2.832 0.274 2.177 318 HZ3 TRP 49 HZ3 TRP 49 -5.889 2.886 0.748 319 HH2 TRP 49 HH2 TRP 49 -5.101 0.645 1.310 320 H GLN 50 H GLN 50 0.307 4.354 -0.004 321 HA GLN 50 HA GLN 50 -1.340 4.098 -2.434 322 HB2 GLN 50 1HB GLN 50 1.572 3.645 -1.961 323 HB3 GLN 50 2HB GLN 50 0.747 2.630 -3.137 324 HG2 GLN 50 1HG GLN 50 -0.117 4.995 -3.985 325 HG3 GLN 50 2HG GLN 50 1.392 5.514 -3.236 326 HE21 GLN 50 1HE2 GLN 50 -0.018 3.414 -5.662 327 HE22 GLN 50 2HE2 GLN 50 1.407 3.256 -6.626 328 H CYS 51 H CYS 51 -2.794 2.543 -2.180 329 HA CYS 51 HA CYS 51 -2.666 0.527 -0.220 330 HB2 CYS 51 1HB CYS 51 -4.716 -0.212 -1.040 331 HB3 CYS 51 2HB CYS 51 -4.707 1.482 -1.520 332 HA PRO 52 HA PRO 52 -0.274 -2.680 -2.021 333 HB2 PRO 52 1HB PRO 52 -1.590 -4.895 -1.167 334 HB3 PRO 52 2HB PRO 52 -0.626 -3.877 -0.091 335 HG2 PRO 52 1HG PRO 52 -3.591 -3.921 -0.505 336 HG3 PRO 52 2HG PRO 52 -2.674 -3.803 1.009 337 HD2 PRO 52 1HD PRO 52 -3.792 -1.647 -0.189 338 HD3 PRO 52 2HD PRO 52 -2.285 -1.547 0.744 339 H GLU 53 H GLU 53 -3.358 -1.991 -3.087 340 HA GLU 53 HA GLU 53 -3.433 -4.180 -5.030 341 HB2 GLU 53 1HB GLU 53 -5.497 -2.016 -4.623 342 HB3 GLU 53 2HB GLU 53 -5.695 -3.536 -5.484 343 HG2 GLU 53 1HG GLU 53 -5.249 -4.682 -3.267 344 HG3 GLU 53 2HG GLU 53 -5.449 -3.094 -2.528 345 H CYS 54 H CYS 54 -2.544 -0.901 -4.745 346 HA CYS 54 HA CYS 54 -2.438 -0.644 -7.680 347 HB2 CYS 54 1HB CYS 54 -2.744 1.524 -5.593 348 HB3 CYS 54 2HB CYS 54 -2.503 1.820 -7.311 349 H LYS 55 H LYS 55 -0.732 -0.397 -4.665 350 HA LYS 55 HA LYS 55 1.533 1.020 -5.394 351 HB2 LYS 55 1HB LYS 55 2.576 0.117 -3.502 352 HB3 LYS 55 2HB LYS 55 0.864 0.062 -3.102 353 HG2 LYS 55 1HG LYS 55 0.793 -2.302 -3.687 354 HG3 LYS 55 2HG LYS 55 2.504 -2.252 -4.119 355 HD2 LYS 55 1HD LYS 55 1.713 -1.324 -1.406 356 HD3 LYS 55 2HD LYS 55 1.688 -3.059 -1.731 357 HE2 LYS 55 1HE LYS 55 3.838 -2.674 -0.913 358 HE3 LYS 55 2HE LYS 55 4.054 -2.716 -2.662 359 HZ1 LYS 55 3HZ LYS 55 4.632 -0.565 -2.724 360 HZ2 LYS 55 1HZ LYS 55 4.978 -0.769 -1.081 361 HZ3 LYS 55 2HZ LYS 55 3.500 -0.099 -1.557 362 H VAL 56 H VAL 56 3.593 0.407 -6.145 363 HA VAL 56 HA VAL 56 4.087 -2.252 -7.113 364 HB VAL 56 HB VAL 56 4.333 -1.696 -9.469 365 HG11 VAL 56 1HG1 VAL 56 2.000 -1.558 -10.069 366 HG12 VAL 56 2HG1 VAL 56 2.172 -2.558 -8.626 367 HG13 VAL 56 3HG1 VAL 56 1.597 -0.896 -8.485 368 HG21 VAL 56 3HG2 VAL 56 2.905 0.700 -9.754 369 HG22 VAL 56 1HG2 VAL 56 4.098 0.993 -8.488 370 HG23 VAL 56 2HG2 VAL 56 4.616 0.425 -10.075 371 H CYS 57 H CYS 57 6.231 -2.430 -8.156 372 HA CYS 57 HA CYS 57 8.182 -0.997 -6.688 373 HB2 CYS 57 1HB CYS 57 8.513 -3.312 -7.484 374 HB3 CYS 57 2HB CYS 57 8.542 -2.727 -9.145 375 H GLN 58 H GLN 58 8.793 1.026 -7.031 376 HA GLN 58 HA GLN 58 8.271 2.384 -9.496 377 HB2 GLN 58 1HB GLN 58 9.895 3.288 -7.111 378 HB3 GLN 58 2HB GLN 58 9.313 4.316 -8.414 379 HG2 GLN 58 1HG GLN 58 7.825 3.085 -6.157 380 HG3 GLN 58 2HG GLN 58 7.746 4.723 -6.805 381 HE21 GLN 58 1HE2 GLN 58 5.919 5.172 -7.779 382 HE22 GLN 58 2HE2 GLN 58 4.910 4.059 -8.632 383 H ASN 59 H ASN 59 10.856 0.519 -8.284 384 HA ASN 59 HA ASN 59 13.012 1.739 -9.658 385 HB2 ASN 59 1HB ASN 59 12.880 -1.194 -8.991 386 HB3 ASN 59 2HB ASN 59 14.291 -0.140 -9.031 387 HD21 ASN 59 1HD2 ASN 59 14.175 1.720 -7.445 388 HD22 ASN 59 2HD2 ASN 59 13.599 1.341 -5.860 389 H CYS 60 H CYS 60 11.095 -1.171 -10.414 390 HA CYS 60 HA CYS 60 12.061 -1.017 -13.182 391 HB2 CYS 60 1HB CYS 60 11.278 -3.329 -13.405 392 HB3 CYS 60 2HB CYS 60 12.390 -3.169 -12.049 393 H LYS 61 H LYS 61 9.397 -0.261 -11.274 394 HA LYS 61 HA LYS 61 7.316 0.525 -11.753 395 HB2 LYS 61 1HB LYS 61 8.225 0.444 -14.636 396 HB3 LYS 61 2HB LYS 61 6.846 1.333 -14.003 397 HG2 LYS 61 1HG LYS 61 9.651 1.848 -13.068 398 HG3 LYS 61 2HG LYS 61 8.952 2.658 -14.472 399 HD2 LYS 61 1HD LYS 61 7.049 3.354 -12.948 400 HD3 LYS 61 2HD LYS 61 8.048 2.795 -11.604 401 HE2 LYS 61 1HE LYS 61 8.519 5.072 -11.725 402 HE3 LYS 61 2HE LYS 61 9.862 4.327 -12.591 403 HZ1 LYS 61 3HZ LYS 61 7.870 6.138 -13.549 404 HZ2 LYS 61 1HZ LYS 61 7.974 4.752 -14.514 405 HZ3 LYS 61 2HZ LYS 61 9.349 5.700 -14.243 406 H GLN 62 H GLN 62 7.442 -2.128 -11.278 407 HA GLN 62 HA GLN 62 5.317 -3.152 -13.007 408 HB2 GLN 62 1HB GLN 62 7.866 -4.623 -12.335 409 HB3 GLN 62 2HB GLN 62 6.425 -5.419 -12.954 410 HG2 GLN 62 1HG GLN 62 7.545 -3.117 -14.466 411 HG3 GLN 62 2HG GLN 62 8.367 -4.674 -14.550 412 HE21 GLN 62 1HE2 GLN 62 6.514 -2.899 -16.326 413 HE22 GLN 62 2HE2 GLN 62 5.450 -4.063 -17.030 414 H SER 63 H SER 63 3.749 -4.232 -11.938 415 HA SER 63 HA SER 63 3.867 -4.233 -9.050 416 HB2 SER 63 1HB SER 63 1.520 -4.777 -9.124 417 HB3 SER 63 2HB SER 63 1.827 -3.535 -10.338 418 HG SER 63 HG SER 63 2.087 -5.474 -11.795 419 H GLY 64 H GLY 64 5.167 -6.253 -11.154 420 HA2 GLY 64 1HA GLY 64 4.167 -8.796 -10.302 421 HA3 GLY 64 2HA GLY 64 5.627 -8.512 -11.238 422 H GLU 65 H GLU 65 6.109 -10.415 -9.660 423 HA GLU 65 HA GLU 65 7.119 -11.217 -7.763 424 HB2 GLU 65 1HB GLU 65 8.666 -8.645 -8.126 425 HB3 GLU 65 2HB GLU 65 9.206 -10.048 -7.215 426 HG2 GLU 65 1HG GLU 65 10.314 -10.206 -9.257 427 HG3 GLU 65 2HG GLU 65 8.977 -11.348 -9.388 428 H ASP 66 H ASP 66 4.814 -10.273 -6.915 429 HA ASP 66 HA ASP 66 4.887 -8.143 -5.067 430 HB2 ASP 66 1HB ASP 66 2.729 -8.699 -5.696 431 HB3 ASP 66 2HB ASP 66 3.030 -10.431 -5.580 432 H SER 67 H SER 67 5.125 -11.661 -4.599 433 HA SER 67 HA SER 67 5.292 -11.796 -1.867 434 HB2 SER 67 1HB SER 67 6.874 -13.410 -3.882 435 HB3 SER 67 2HB SER 67 6.662 -13.842 -2.186 436 HG SER 67 HG SER 67 4.631 -14.390 -2.558 437 H LYS 68 H LYS 68 8.144 -11.673 -4.009 438 HA LYS 68 HA LYS 68 10.023 -11.220 -1.995 439 HB2 LYS 68 1HB LYS 68 10.123 -10.358 -4.892 440 HB3 LYS 68 2HB LYS 68 11.504 -10.427 -3.805 441 HG2 LYS 68 1HG LYS 68 11.343 -12.806 -3.642 442 HG3 LYS 68 2HG LYS 68 9.818 -12.812 -4.530 443 HD2 LYS 68 1HD LYS 68 10.940 -12.028 -6.527 444 HD3 LYS 68 2HD LYS 68 12.465 -11.887 -5.648 445 HE2 LYS 68 1HE LYS 68 10.965 -14.481 -5.937 446 HE3 LYS 68 2HE LYS 68 12.193 -13.949 -7.085 447 HZ1 LYS 68 3HZ LYS 68 12.621 -14.395 -4.180 448 HZ2 LYS 68 1HZ LYS 68 13.799 -13.887 -5.282 449 HZ3 LYS 68 2HZ LYS 68 13.121 -15.430 -5.421 450 H MET 69 H MET 69 8.146 -8.940 -3.939 451 HA MET 69 HA MET 69 9.199 -6.535 -3.538 452 HB2 MET 69 1HB MET 69 6.901 -7.061 -4.463 453 HB3 MET 69 2HB MET 69 6.314 -7.035 -2.805 454 HG2 MET 69 1HG MET 69 7.049 -4.714 -2.584 455 HG3 MET 69 2HG MET 69 7.623 -4.743 -4.250 456 HE1 MET 69 3HE MET 69 6.733 -3.611 -5.670 457 HE2 MET 69 1HE MET 69 5.286 -4.219 -6.474 458 HE3 MET 69 2HE MET 69 5.210 -2.732 -5.530 459 H LEU 70 H LEU 70 9.793 -5.205 -1.932 460 HA LEU 70 HA LEU 70 9.265 -6.087 0.819 461 HB2 LEU 70 1HB LEU 70 11.411 -4.328 -0.349 462 HB3 LEU 70 2HB LEU 70 11.173 -4.553 1.383 463 HG LEU 70 HG LEU 70 11.606 -6.949 -0.344 464 HD11 LEU 70 1HD1 LEU 70 13.331 -5.074 -0.813 465 HD12 LEU 70 2HD1 LEU 70 13.901 -6.706 -0.462 466 HD13 LEU 70 3HD1 LEU 70 13.941 -5.469 0.794 467 HD21 LEU 70 3HD2 LEU 70 11.063 -6.808 2.219 468 HD22 LEU 70 1HD2 LEU 70 12.788 -6.463 2.349 469 HD23 LEU 70 2HD2 LEU 70 12.243 -7.970 1.609 470 H VAL 71 H VAL 71 7.522 -5.109 1.631 471 HA VAL 71 HA VAL 71 6.784 -2.427 0.846 472 HB VAL 71 HB VAL 71 5.539 -4.253 2.907 473 HG11 VAL 71 1HG1 VAL 71 3.853 -2.739 3.205 474 HG12 VAL 71 2HG1 VAL 71 5.197 -1.634 2.913 475 HG13 VAL 71 3HG1 VAL 71 4.069 -2.016 1.611 476 HG21 VAL 71 3HG2 VAL 71 5.076 -5.390 0.988 477 HG22 VAL 71 1HG2 VAL 71 3.755 -4.222 0.938 478 HG23 VAL 71 2HG2 VAL 71 5.206 -3.954 -0.027 479 H CYS 72 H CYS 72 7.729 -0.716 1.724 480 HA CYS 72 HA CYS 72 9.269 -0.776 4.085 481 HB2 CYS 72 1HB CYS 72 9.665 0.870 2.323 482 HB3 CYS 72 2HB CYS 72 8.080 1.583 2.610 483 H ASP 73 H ASP 73 8.714 -0.620 6.155 484 HA ASP 73 HA ASP 73 5.933 -0.272 6.862 485 HB2 ASP 73 1HB ASP 73 6.460 -1.232 8.881 486 HB3 ASP 73 2HB ASP 73 7.771 -1.880 7.899 487 H THR 74 H THR 74 7.504 2.005 5.789 488 HA THR 74 HA THR 74 6.980 3.880 7.994 489 HB THR 74 HB THR 74 9.308 4.115 6.079 490 HG1 THR 74 HG1 THR 74 10.454 3.801 8.202 491 HG21 THR 74 3HG2 THR 74 8.740 6.293 6.698 492 HG22 THR 74 1HG2 THR 74 9.978 5.849 7.872 493 HG23 THR 74 2HG2 THR 74 8.276 5.810 8.330 494 H CYS 75 H CYS 75 7.523 3.563 4.494 495 HA CYS 75 HA CYS 75 5.644 5.797 4.087 496 HB2 CYS 75 1HB CYS 75 6.778 6.301 2.020 497 HB3 CYS 75 2HB CYS 75 7.979 6.211 3.304 498 H ASP 76 H ASP 76 6.547 2.548 3.151 499 HA ASP 76 HA ASP 76 5.397 0.887 2.103 500 HB2 ASP 76 1HB ASP 76 3.534 2.015 3.622 501 HB3 ASP 76 2HB ASP 76 2.869 2.469 2.055 502 H LYS 77 H LYS 77 6.851 2.247 0.409 503 HA LYS 77 HA LYS 77 5.228 3.281 -1.770 504 HB2 LYS 77 1HB LYS 77 8.151 3.191 -1.153 505 HB3 LYS 77 2HB LYS 77 7.645 3.397 -2.825 506 HG2 LYS 77 1HG LYS 77 6.592 5.159 -0.641 507 HG3 LYS 77 2HG LYS 77 8.125 5.493 -1.450 508 HD2 LYS 77 1HD LYS 77 7.084 5.822 -3.526 509 HD3 LYS 77 2HD LYS 77 5.593 5.036 -3.000 510 HE2 LYS 77 1HE LYS 77 5.373 6.936 -1.322 511 HE3 LYS 77 2HE LYS 77 6.652 7.743 -2.228 512 HZ1 LYS 77 3HZ LYS 77 5.268 8.227 -3.905 513 HZ2 LYS 77 1HZ LYS 77 4.042 7.980 -2.767 514 HZ3 LYS 77 2HZ LYS 77 4.466 6.740 -3.835 515 H GLY 78 H GLY 78 7.648 0.697 -1.320 516 HA2 GLY 78 1HA GLY 78 7.039 -1.539 -2.142 517 HA3 GLY 78 2HA GLY 78 6.335 -0.743 -3.542 518 H TYR 79 H TYR 79 9.025 -2.332 -2.366 519 HA TYR 79 HA TYR 79 10.527 -1.664 -4.773 520 HB2 TYR 79 1HB TYR 79 11.766 -1.500 -2.018 521 HB3 TYR 79 2HB TYR 79 12.605 -1.274 -3.549 522 HD1 TYR 79 HD2 TYR 79 11.629 0.631 -5.081 523 HD2 TYR 79 HD1 TYR 79 10.992 0.363 -0.883 524 HE1 TYR 79 HE2 TYR 79 11.118 3.036 -5.011 525 HE2 TYR 79 HE1 TYR 79 10.478 2.766 -0.801 526 HH TYR 79 HH TYR 79 10.444 4.739 -3.754 527 H HIS 80 H HIS 80 11.156 -3.488 -5.700 528 HA HIS 80 HA HIS 80 10.863 -6.015 -4.469 529 HB2 HIS 80 1HB HIS 80 12.280 -5.196 -7.010 530 HB3 HIS 80 2HB HIS 80 12.025 -6.869 -6.522 531 HD2 HIS 80 HD2 HIS 80 8.804 -6.165 -5.555 532 HE1 HIS 80 HE1 HIS 80 8.391 -5.580 -9.736 533 HE2 HIS 80 HE2 HIS 80 7.181 -5.884 -7.549 534 H THR 81 H THR 81 12.684 -7.655 -4.438 535 HA THR 81 HA THR 81 14.787 -6.617 -2.762 536 HB THR 81 HB THR 81 15.522 -9.037 -2.681 537 HG1 THR 81 HG1 THR 81 13.828 -10.503 -3.474 538 HG21 THR 81 3HG2 THR 81 13.124 -9.680 -1.629 539 HG22 THR 81 1HG2 THR 81 12.956 -7.928 -1.727 540 HG23 THR 81 2HG2 THR 81 14.293 -8.637 -0.820 541 H PHE 82 H PHE 82 14.462 -7.824 -6.034 542 HA PHE 82 HA PHE 82 17.356 -7.624 -6.442 543 HB2 PHE 82 1HB PHE 82 17.064 -8.896 -8.427 544 HB3 PHE 82 2HB PHE 82 16.041 -9.655 -7.213 545 HD1 PHE 82 HD1 PHE 82 13.562 -9.021 -7.202 546 HD2 PHE 82 HD2 PHE 82 16.178 -8.232 -10.466 547 HE1 PHE 82 HE1 PHE 82 11.622 -8.807 -8.700 548 HE2 PHE 82 HE2 PHE 82 14.242 -8.017 -11.969 549 HZ PHE 82 HZ PHE 82 11.961 -8.304 -11.087 550 H CYS 83 H CYS 83 15.478 -5.321 -6.145 551 HA CYS 83 HA CYS 83 16.096 -4.000 -8.705 552 HB2 CYS 83 1HB CYS 83 13.616 -3.819 -7.007 553 HB3 CYS 83 2HB CYS 83 14.052 -2.537 -8.133 554 H LEU 84 H LEU 84 16.210 -3.937 -5.270 555 HA LEU 84 HA LEU 84 16.678 -1.158 -4.915 556 HB2 LEU 84 1HB LEU 84 17.224 -3.581 -3.228 557 HB3 LEU 84 2HB LEU 84 17.698 -1.963 -2.714 558 HG LEU 84 HG LEU 84 14.852 -2.573 -3.434 559 HD11 LEU 84 1HD1 LEU 84 15.969 -4.127 -1.621 560 HD12 LEU 84 2HD1 LEU 84 14.352 -3.461 -1.393 561 HD13 LEU 84 3HD1 LEU 84 15.735 -2.708 -0.599 562 HD21 LEU 84 3HD2 LEU 84 14.994 -0.799 -1.317 563 HD22 LEU 84 1HD2 LEU 84 14.727 -0.389 -3.012 564 HD23 LEU 84 2HD2 LEU 84 16.358 -0.347 -2.341 565 H GLN 85 H GLN 85 18.759 -0.291 -4.037 566 HA GLN 85 HA GLN 85 21.121 -1.608 -5.170 567 HB2 GLN 85 1HB GLN 85 20.287 1.252 -5.658 568 HB3 GLN 85 2HB GLN 85 21.902 0.641 -5.988 569 HG2 GLN 85 1HG GLN 85 20.863 -1.039 -7.518 570 HG3 GLN 85 2HG GLN 85 19.328 -0.202 -7.290 571 HE21 GLN 85 1HE2 GLN 85 19.630 -0.091 -9.695 572 HE22 GLN 85 2HE2 GLN 85 20.454 1.293 -10.319 573 HA PRO 86 HA PRO 86 22.553 -2.578 -4.437 574 HB2 PRO 86 1HB PRO 86 23.072 -4.192 -2.318 575 HB3 PRO 86 2HB PRO 86 24.264 -3.071 -2.986 576 HG2 PRO 86 1HG PRO 86 22.498 -2.752 -0.589 577 HG3 PRO 86 2HG PRO 86 24.213 -2.340 -0.779 578 HD2 PRO 86 1HD PRO 86 22.244 -0.487 -0.926 579 HD3 PRO 86 2HD PRO 86 23.747 -0.360 -1.863 580 H VAL 87 H VAL 87 21.710 -4.888 -4.231 581 HA VAL 87 HA VAL 87 18.848 -4.747 -3.718 582 HB VAL 87 HB VAL 87 18.997 -7.160 -4.698 583 HG11 VAL 87 1HG1 VAL 87 18.053 -5.115 -5.787 584 HG12 VAL 87 2HG1 VAL 87 19.641 -4.834 -6.501 585 HG13 VAL 87 3HG1 VAL 87 18.737 -6.293 -6.906 586 HG21 VAL 87 3HG2 VAL 87 21.565 -6.036 -5.796 587 HG22 VAL 87 1HG2 VAL 87 21.505 -7.189 -4.464 588 HG23 VAL 87 2HG2 VAL 87 20.888 -7.644 -6.052 589 H MET 88 H MET 88 17.743 -6.526 -2.618 590 HA MET 88 HA MET 88 19.321 -7.479 -0.329 591 HB2 MET 88 1HB MET 88 16.378 -6.919 -0.662 592 HB3 MET 88 2HB MET 88 17.013 -7.820 0.709 593 HG2 MET 88 1HG MET 88 18.236 -5.189 0.106 594 HG3 MET 88 2HG MET 88 16.611 -5.207 0.788 595 HE1 MET 88 3HE MET 88 16.045 -5.167 2.756 596 HE2 MET 88 1HE MET 88 16.444 -6.504 3.835 597 HE3 MET 88 2HE MET 88 17.125 -4.903 4.126 598 H LYS 89 H LYS 89 20.136 -9.240 -1.667 599 HA LYS 89 HA LYS 89 18.909 -11.145 -3.075 600 HB2 LYS 89 1HB LYS 89 21.335 -11.031 -2.045 601 HB3 LYS 89 2HB LYS 89 20.653 -12.133 -0.856 602 HG2 LYS 89 1HG LYS 89 21.378 -13.686 -2.312 603 HG3 LYS 89 2HG LYS 89 19.837 -13.346 -3.102 604 HD2 LYS 89 1HD LYS 89 22.140 -11.632 -3.837 605 HD3 LYS 89 2HD LYS 89 22.169 -13.303 -4.404 606 HE2 LYS 89 1HE LYS 89 19.823 -11.456 -4.796 607 HE3 LYS 89 2HE LYS 89 21.122 -11.635 -5.974 608 HZ1 LYS 89 3HZ LYS 89 18.861 -13.208 -5.717 609 HZ2 LYS 89 1HZ LYS 89 20.150 -14.175 -5.203 610 HZ3 LYS 89 2HZ LYS 89 20.181 -13.471 -6.741 611 H SER 90 H SER 90 18.677 -10.810 0.426 612 HA SER 90 HA SER 90 16.511 -12.810 0.396 613 HB2 SER 90 1HB SER 90 17.153 -13.288 2.790 614 HB3 SER 90 2HB SER 90 18.347 -13.789 1.593 615 HG SER 90 HG SER 90 18.452 -11.719 3.465 616 H VAL 91 H VAL 91 15.123 -12.540 2.479 617 HA VAL 91 HA VAL 91 14.461 -9.680 2.703 618 HB VAL 91 HB VAL 91 12.686 -12.094 3.089 619 HG11 VAL 91 1HG1 VAL 91 12.308 -9.972 4.535 620 HG12 VAL 91 2HG1 VAL 91 11.715 -9.266 3.030 621 HG13 VAL 91 3HG1 VAL 91 10.940 -10.704 3.697 622 HG21 VAL 91 3HG2 VAL 91 12.534 -9.943 0.984 623 HG22 VAL 91 1HG2 VAL 91 13.319 -11.503 0.739 624 HG23 VAL 91 2HG2 VAL 91 11.589 -11.429 1.075 625 HA PRO 92 HA PRO 92 15.578 -9.811 6.969 626 HB2 PRO 92 1HB PRO 92 14.234 -7.601 7.793 627 HB3 PRO 92 2HB PRO 92 15.719 -7.521 6.838 628 HG2 PRO 92 1HG PRO 92 12.875 -7.266 5.941 629 HG3 PRO 92 2HG PRO 92 14.288 -6.308 5.464 630 HD2 PRO 92 1HD PRO 92 13.290 -8.298 3.923 631 HD3 PRO 92 2HD PRO 92 15.020 -7.900 3.967 632 H THR 93 H THR 93 14.431 -9.550 9.165 633 HA THR 93 HA THR 93 11.749 -10.762 9.047 634 HB THR 93 HB THR 93 13.979 -11.516 10.946 635 HG1 THR 93 HG1 THR 93 13.632 -13.596 9.862 636 HG21 THR 93 3HG2 THR 93 11.200 -12.676 10.746 637 HG22 THR 93 1HG2 THR 93 11.701 -11.510 11.970 638 HG23 THR 93 2HG2 THR 93 12.453 -13.104 11.910 639 H ASN 94 H ASN 94 14.061 -9.253 11.310 640 HA ASN 94 HA ASN 94 12.256 -8.449 13.247 641 HB2 ASN 94 1HB ASN 94 14.640 -8.301 13.624 642 HB3 ASN 94 2HB ASN 94 14.810 -7.107 12.341 643 HD21 ASN 94 1HD2 ASN 94 15.827 -6.468 14.706 644 HD22 ASN 94 2HD2 ASN 94 14.856 -5.288 15.512 645 H GLY 95 H GLY 95 13.471 -6.511 10.506 646 HA2 GLY 95 1HA GLY 95 11.001 -5.373 9.855 647 HA3 GLY 95 2HA GLY 95 11.800 -4.288 10.983 648 H TRP 96 H TRP 96 11.114 -4.175 8.020 649 HA TRP 96 HA TRP 96 13.821 -3.585 7.020 650 HB2 TRP 96 1HB TRP 96 12.586 -5.300 5.732 651 HB3 TRP 96 2HB TRP 96 11.305 -4.129 5.428 652 HD1 TRP 96 HD1 TRP 96 15.122 -4.425 4.753 653 HE1 TRP 96 HE1 TRP 96 15.602 -3.341 2.468 654 HE3 TRP 96 HE3 TRP 96 10.413 -2.785 3.627 655 HZ2 TRP 96 HZ2 TRP 96 14.174 -1.970 0.456 656 HZ3 TRP 96 HZ3 TRP 96 10.054 -1.595 1.504 657 HH2 TRP 96 HH2 TRP 96 11.897 -1.197 -0.047 658 H LYS 97 H LYS 97 14.046 -1.706 5.622 659 HA LYS 97 HA LYS 97 11.969 0.307 5.708 660 HB2 LYS 97 1HB LYS 97 13.525 0.335 7.866 661 HB3 LYS 97 2HB LYS 97 14.595 1.218 6.785 662 HG2 LYS 97 1HG LYS 97 12.475 2.653 6.307 663 HG3 LYS 97 2HG LYS 97 11.915 1.986 7.843 664 HD2 LYS 97 1HD LYS 97 14.244 2.733 8.719 665 HD3 LYS 97 2HD LYS 97 14.256 3.770 7.290 666 HE2 LYS 97 1HE LYS 97 12.198 4.825 7.998 667 HE3 LYS 97 2HE LYS 97 12.072 3.727 9.371 668 HZ1 LYS 97 3HZ LYS 97 13.530 4.919 10.552 669 HZ2 LYS 97 1HZ LYS 97 13.200 6.165 9.456 670 HZ3 LYS 97 2HZ LYS 97 14.559 5.183 9.236 671 H CYS 98 H CYS 98 12.031 1.538 3.930 672 HA CYS 98 HA CYS 98 13.946 1.019 1.898 673 HB2 CYS 98 1HB CYS 98 12.622 2.320 0.518 674 HB3 CYS 98 2HB CYS 98 11.453 1.823 1.737 675 H LYS 99 H LYS 99 15.067 2.874 0.735 676 HA LYS 99 HA LYS 99 16.872 4.113 2.572 677 HB2 LYS 99 1HB LYS 99 17.719 3.347 0.455 678 HB3 LYS 99 2HB LYS 99 16.559 4.334 -0.424 679 HG2 LYS 99 1HG LYS 99 17.665 6.337 0.185 680 HG3 LYS 99 2HG LYS 99 18.676 5.498 1.364 681 HD2 LYS 99 1HD LYS 99 19.425 4.118 -0.745 682 HD3 LYS 99 2HD LYS 99 18.862 5.549 -1.613 683 HE2 LYS 99 1HE LYS 99 20.390 6.952 -0.439 684 HE3 LYS 99 2HE LYS 99 20.812 5.657 0.680 685 HZ1 LYS 99 3HZ LYS 99 21.553 5.940 -2.165 686 HZ2 LYS 99 1HZ LYS 99 21.613 4.437 -1.390 687 HZ3 LYS 99 2HZ LYS 99 22.563 5.717 -0.827 688 H ASN 100 H ASN 100 14.432 5.356 0.300 689 HA ASN 100 HA ASN 100 14.724 8.056 0.675 690 HB2 ASN 100 1HB ASN 100 12.327 6.340 0.125 691 HB3 ASN 100 2HB ASN 100 12.123 8.071 0.376 692 HD21 ASN 100 1HD2 ASN 100 12.473 5.787 -1.910 693 HD22 ASN 100 2HD2 ASN 100 13.159 6.733 -3.183 694 H CYS 101 H CYS 101 13.582 5.717 2.930 695 HA CYS 101 HA CYS 101 12.470 7.764 4.697 696 HB2 CYS 101 1HB CYS 101 12.352 4.773 4.605 697 HB3 CYS 101 2HB CYS 101 12.062 5.598 6.133 698 H ARG 102 H ARG 102 14.962 5.233 4.699 699 HA ARG 102 HA ARG 102 15.993 5.501 7.219 700 HB2 ARG 102 1HB ARG 102 17.857 4.383 6.463 701 HB3 ARG 102 2HB ARG 102 16.722 4.021 5.170 702 HG2 ARG 102 1HG ARG 102 17.735 5.513 3.696 703 HG3 ARG 102 2HG ARG 102 18.568 6.371 4.994 704 HD2 ARG 102 1HD ARG 102 19.179 3.490 4.637 705 HD3 ARG 102 2HD ARG 102 19.797 4.608 3.422 706 HE ARG 102 HE ARG 102 20.795 4.246 6.046 707 HH11 ARG 102 2HH1 ARG 102 20.197 6.698 3.649 708 HH12 ARG 102 1HH1 ARG 102 21.453 7.747 4.220 709 HH21 ARG 102 2HH2 ARG 102 22.451 5.618 6.807 710 HH22 ARG 102 1HH2 ARG 102 22.734 7.131 6.016 711 H ILE 103 H ILE 103 16.298 7.705 4.536 712 HA ILE 103 HA ILE 103 18.435 9.243 4.973 713 HB ILE 103 HB ILE 103 15.636 10.314 4.600 714 HG12 ILE 103 1HG1 ILE 103 16.248 8.781 2.832 715 HG13 ILE 103 2HG1 ILE 103 16.319 10.424 2.205 716 HG21 ILE 103 1HG2 ILE 103 17.990 11.721 5.169 717 HG22 ILE 103 2HG2 ILE 103 17.710 11.925 3.441 718 HG23 ILE 103 3HG2 ILE 103 16.457 12.378 4.596 719 HD11 ILE 103 3HD1 ILE 103 18.776 10.383 2.573 720 HD12 ILE 103 1HD1 ILE 103 18.632 8.680 3.006 721 HD13 ILE 103 2HD1 ILE 103 18.199 9.218 1.382 722 H CYS 104 H CYS 104 19.262 10.612 6.459 723 HA CYS 104 HA CYS 104 19.592 11.645 8.457 724 HB2 CYS 104 1HB CYS 104 16.611 11.993 8.168 725 HB3 CYS 104 2HB CYS 104 17.505 12.659 9.529 726 HG CYS 104 HG CYS 104 18.608 13.425 6.424 727 H ILE 105 H ILE 105 19.608 8.914 8.582 728 HA ILE 105 HA ILE 105 17.982 7.515 10.232 729 HB ILE 105 HB ILE 105 19.970 6.526 9.234 730 HG12 ILE 105 1HG1 ILE 105 20.776 5.235 11.253 731 HG13 ILE 105 2HG1 ILE 105 19.809 6.320 12.245 732 HG21 ILE 105 1HG2 ILE 105 21.505 8.107 11.293 733 HG22 ILE 105 2HG2 ILE 105 22.188 6.881 10.226 734 HG23 ILE 105 3HG2 ILE 105 21.522 8.367 9.549 735 HD11 ILE 105 3HD1 ILE 105 18.128 5.346 10.205 736 HD12 ILE 105 1HD1 ILE 105 19.013 3.969 10.861 737 HD13 ILE 105 2HD1 ILE 105 18.067 5.002 11.934 738 H SER 106 H SER 106 20.470 9.817 11.255 739 HA SER 106 HA SER 106 19.081 10.152 13.791 740 HB2 SER 106 1HB SER 106 20.982 8.347 13.920 741 HB3 SER 106 2HB SER 106 22.050 9.750 13.923 742 HG SER 106 HG SER 106 20.362 8.810 15.884 743 H GLY 107 H GLY 107 18.769 12.267 13.944 744 HA2 GLY 107 1HA GLY 107 19.209 14.524 14.013 745 HA3 GLY 107 2HA GLY 107 20.918 14.126 13.925 746 HA PRO 108 HA PRO 108 19.139 15.911 9.857 747 HB2 PRO 108 1HB PRO 108 19.908 18.500 10.134 748 HB3 PRO 108 2HB PRO 108 18.326 17.906 10.654 749 HG2 PRO 108 1HG PRO 108 20.788 18.411 12.281 750 HG3 PRO 108 2HG PRO 108 19.100 18.804 12.655 751 HD2 PRO 108 1HD PRO 108 20.359 16.647 13.700 752 HD3 PRO 108 2HD PRO 108 18.620 16.657 13.342 753 H SER 109 H SER 109 20.430 16.292 8.064 754 HA SER 109 HA SER 109 23.332 16.217 8.566 755 HB2 SER 109 1HB SER 109 21.755 15.138 6.218 756 HB3 SER 109 2HB SER 109 23.514 15.118 6.344 757 HG SER 109 HG SER 109 21.616 13.563 7.640 758 H SER 110 H SER 110 24.698 17.269 6.951 759 HA SER 110 HA SER 110 23.375 19.625 5.771 760 HB2 SER 110 1HB SER 110 24.732 20.439 7.536 761 HB3 SER 110 2HB SER 110 26.060 19.356 7.120 762 HG SER 110 HG SER 110 25.593 21.837 6.245 763 H GLY 111 H GLY 111 23.102 18.838 3.709 764 HA2 GLY 111 1HA GLY 111 24.759 19.243 1.700 765 HA3 GLY 111 2HA GLY 111 25.423 17.735 2.310 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -30.236 -7.334 -7.707 2 HA2 GLY 1 1HA GLY 1 -30.671 -5.322 -6.693 3 HA3 GLY 1 2HA GLY 1 -29.294 -5.672 -5.659 4 H SER 2 H SER 2 -27.985 -3.977 -5.620 5 HA SER 2 HA SER 2 -27.884 -2.000 -7.636 6 HB2 SER 2 1HB SER 2 -27.302 -1.624 -5.233 7 HB3 SER 2 2HB SER 2 -25.817 -2.540 -5.492 8 HG SER 2 HG SER 2 -26.048 -0.660 -7.384 9 H SER 3 H SER 3 -26.283 -1.513 -9.147 10 HA SER 3 HA SER 3 -25.081 -3.766 -10.406 11 HB2 SER 3 1HB SER 3 -25.796 -2.006 -11.836 12 HB3 SER 3 2HB SER 3 -24.912 -0.794 -10.908 13 HG SER 3 HG SER 3 -22.970 -1.877 -11.596 14 H GLY 4 H GLY 4 -23.010 -4.483 -10.399 15 HA2 GLY 4 1HA GLY 4 -20.826 -4.738 -9.736 16 HA3 GLY 4 2HA GLY 4 -20.772 -2.992 -9.544 17 H SER 5 H SER 5 -19.434 -4.820 -7.863 18 HA SER 5 HA SER 5 -20.881 -4.371 -5.336 19 HB2 SER 5 1HB SER 5 -20.876 -6.752 -5.785 20 HB3 SER 5 2HB SER 5 -19.141 -6.729 -6.096 21 HG SER 5 HG SER 5 -18.930 -5.995 -3.866 22 H SER 6 H SER 6 -19.782 -2.380 -5.084 23 HA SER 6 HA SER 6 -17.318 -2.586 -3.678 24 HB2 SER 6 1HB SER 6 -16.812 -2.573 -6.295 25 HB3 SER 6 2HB SER 6 -16.998 -0.834 -6.070 26 HG SER 6 HG SER 6 -15.418 -1.027 -4.365 27 H GLY 7 H GLY 7 -16.662 -0.571 -2.718 28 HA2 GLY 7 1HA GLY 7 -18.283 1.782 -3.130 29 HA3 GLY 7 2HA GLY 7 -18.607 0.957 -1.613 30 H ALA 8 H ALA 8 -17.861 2.654 -0.345 31 HA ALA 8 HA ALA 8 -14.983 3.245 -0.559 32 HB1 ALA 8 3HB ALA 8 -17.023 4.900 0.908 33 HB2 ALA 8 1HB ALA 8 -15.380 5.350 0.451 34 HB3 ALA 8 2HB ALA 8 -16.617 5.149 -0.790 35 H ASN 9 H ASN 9 -16.268 0.924 0.779 36 HA ASN 9 HA ASN 9 -15.657 1.467 3.593 37 HB2 ASN 9 1HB ASN 9 -17.161 -0.719 2.180 38 HB3 ASN 9 2HB ASN 9 -16.583 -0.947 3.828 39 HD21 ASN 9 1HD2 ASN 9 -19.124 -1.179 3.708 40 HD22 ASN 9 2HD2 ASN 9 -19.975 0.237 4.215 41 H CYS 10 H CYS 10 -14.679 -0.614 4.698 42 HA CYS 10 HA CYS 10 -12.041 -0.877 3.676 43 HB2 CYS 10 1HB CYS 10 -12.846 -0.990 6.125 44 HB3 CYS 10 2HB CYS 10 -13.230 -2.673 5.778 45 H ALA 11 H ALA 11 -11.139 -2.402 2.429 46 HA ALA 11 HA ALA 11 -12.873 -4.410 1.252 47 HB1 ALA 11 3HB ALA 11 -10.704 -4.872 -0.089 48 HB2 ALA 11 1HB ALA 11 -11.599 -3.380 -0.382 49 HB3 ALA 11 2HB ALA 11 -10.147 -3.356 0.619 50 H VAL 12 H VAL 12 -11.309 -4.358 4.043 51 HA VAL 12 HA VAL 12 -10.355 -7.139 3.844 52 HB VAL 12 HB VAL 12 -9.548 -4.963 5.775 53 HG11 VAL 12 1HG1 VAL 12 -9.096 -6.576 7.239 54 HG12 VAL 12 2HG1 VAL 12 -9.489 -7.835 6.067 55 HG13 VAL 12 3HG1 VAL 12 -7.864 -7.152 6.117 56 HG21 VAL 12 3HG2 VAL 12 -7.641 -4.729 4.591 57 HG22 VAL 12 1HG2 VAL 12 -7.556 -6.444 4.188 58 HG23 VAL 12 2HG2 VAL 12 -8.623 -5.376 3.276 59 H CYS 13 H CYS 13 -12.121 -4.851 5.897 60 HA CYS 13 HA CYS 13 -13.303 -7.135 7.329 61 HB2 CYS 13 1HB CYS 13 -13.741 -5.658 9.168 62 HB3 CYS 13 2HB CYS 13 -12.064 -5.425 8.687 63 H ASP 14 H ASP 14 -13.970 -4.361 5.353 64 HA ASP 14 HA ASP 14 -15.841 -3.771 4.186 65 HB2 ASP 14 1HB ASP 14 -16.161 -6.315 4.091 66 HB3 ASP 14 2HB ASP 14 -17.301 -6.103 5.417 67 H SER 15 H SER 15 -15.319 -2.474 6.510 68 HA SER 15 HA SER 15 -18.020 -1.883 7.488 69 HB2 SER 15 1HB SER 15 -15.585 -2.441 9.178 70 HB3 SER 15 2HB SER 15 -16.956 -1.517 9.791 71 HG SER 15 HG SER 15 -16.699 -4.140 9.673 72 HA PRO 16 HA PRO 16 -16.832 2.267 6.612 73 HB2 PRO 16 1HB PRO 16 -18.712 3.551 8.091 74 HB3 PRO 16 2HB PRO 16 -19.081 2.735 6.567 75 HG2 PRO 16 1HG PRO 16 -19.471 1.771 9.374 76 HG3 PRO 16 2HG PRO 16 -20.563 1.638 7.983 77 HD2 PRO 16 1HD PRO 16 -19.008 -0.416 8.816 78 HD3 PRO 16 2HD PRO 16 -19.434 -0.172 7.110 79 H GLY 17 H GLY 17 -17.697 1.701 10.035 80 HA2 GLY 17 1HA GLY 17 -16.857 2.738 11.939 81 HA3 GLY 17 2HA GLY 17 -15.368 2.052 11.306 82 H ASP 18 H ASP 18 -13.751 3.431 11.069 83 HA ASP 18 HA ASP 18 -14.388 6.292 10.788 84 HB2 ASP 18 1HB ASP 18 -12.248 4.814 12.237 85 HB3 ASP 18 2HB ASP 18 -11.826 6.375 11.538 86 H LEU 19 H LEU 19 -13.801 7.326 8.992 87 HA LEU 19 HA LEU 19 -12.271 5.858 6.985 88 HB2 LEU 19 1HB LEU 19 -14.109 8.211 6.931 89 HB3 LEU 19 2HB LEU 19 -12.967 7.968 5.611 90 HG LEU 19 HG LEU 19 -13.977 5.726 5.229 91 HD11 LEU 19 1HD1 LEU 19 -16.410 5.685 6.270 92 HD12 LEU 19 2HD1 LEU 19 -15.609 6.596 7.550 93 HD13 LEU 19 3HD1 LEU 19 -15.024 4.992 7.111 94 HD21 LEU 19 3HD2 LEU 19 -15.172 8.323 4.742 95 HD22 LEU 19 1HD2 LEU 19 -16.370 7.028 4.745 96 HD23 LEU 19 2HD2 LEU 19 -14.983 6.943 3.658 97 H LEU 20 H LEU 20 -12.201 8.898 8.782 98 HA LEU 20 HA LEU 20 -9.932 9.999 7.524 99 HB2 LEU 20 1HB LEU 20 -11.075 10.421 10.278 100 HB3 LEU 20 2HB LEU 20 -9.757 11.378 9.604 101 HG LEU 20 HG LEU 20 -12.373 11.220 8.162 102 HD11 LEU 20 1HD1 LEU 20 -13.234 11.873 10.205 103 HD12 LEU 20 2HD1 LEU 20 -12.854 13.419 9.448 104 HD13 LEU 20 3HD1 LEU 20 -11.770 12.743 10.664 105 HD21 LEU 20 3HD2 LEU 20 -11.370 13.766 8.013 106 HD22 LEU 20 1HD2 LEU 20 -11.131 12.497 6.812 107 HD23 LEU 20 2HD2 LEU 20 -9.908 12.779 8.050 108 H ASP 21 H ASP 21 -10.302 7.907 10.345 109 HA ASP 21 HA ASP 21 -7.597 7.958 11.156 110 HB2 ASP 21 1HB ASP 21 -9.821 5.972 11.620 111 HB3 ASP 21 2HB ASP 21 -8.217 5.781 12.321 112 H GLN 22 H GLN 22 -9.419 5.710 9.099 113 HA GLN 22 HA GLN 22 -7.102 4.098 8.549 114 HB2 GLN 22 1HB GLN 22 -8.533 2.779 7.178 115 HB3 GLN 22 2HB GLN 22 -9.473 3.242 8.591 116 HG2 GLN 22 1HG GLN 22 -10.425 5.113 7.208 117 HG3 GLN 22 2HG GLN 22 -9.650 4.366 5.811 118 HE21 GLN 22 1HE2 GLN 22 -10.073 1.806 5.961 119 HE22 GLN 22 2HE2 GLN 22 -11.751 1.411 6.056 120 H PHE 23 H PHE 23 -5.980 3.932 6.601 121 HA PHE 23 HA PHE 23 -5.538 6.367 5.231 122 HB2 PHE 23 1HB PHE 23 -4.678 3.553 4.523 123 HB3 PHE 23 2HB PHE 23 -4.059 5.017 3.766 124 HD1 PHE 23 HD2 PHE 23 -4.138 3.036 6.857 125 HD2 PHE 23 HD1 PHE 23 -2.450 6.395 4.861 126 HE1 PHE 23 HE2 PHE 23 -2.414 3.204 8.604 127 HE2 PHE 23 HE1 PHE 23 -0.723 6.568 6.604 128 HZ PHE 23 HZ PHE 23 -0.704 4.972 8.480 129 H PHE 24 H PHE 24 -5.726 6.702 2.898 130 HA PHE 24 HA PHE 24 -7.926 5.218 1.646 131 HB2 PHE 24 1HB PHE 24 -9.030 7.150 2.504 132 HB3 PHE 24 2HB PHE 24 -7.734 8.212 1.965 133 HD1 PHE 24 HD1 PHE 24 -10.462 6.015 0.770 134 HD2 PHE 24 HD2 PHE 24 -7.781 9.185 -0.162 135 HE1 PHE 24 HE1 PHE 24 -11.677 6.419 -1.331 136 HE2 PHE 24 HE2 PHE 24 -8.991 9.596 -2.264 137 HZ PHE 24 HZ PHE 24 -10.943 8.213 -2.851 138 H CYS 25 H CYS 25 -7.288 4.476 -0.256 139 HA CYS 25 HA CYS 25 -4.871 5.270 -1.496 140 HB2 CYS 25 1HB CYS 25 -6.048 3.011 -1.669 141 HB3 CYS 25 2HB CYS 25 -7.111 3.770 -2.850 142 H THR 26 H THR 26 -4.603 6.185 -3.623 143 HA THR 26 HA THR 26 -6.642 8.225 -4.199 144 HB THR 26 HB THR 26 -4.819 9.430 -5.399 145 HG1 THR 26 HG1 THR 26 -3.158 7.433 -4.219 146 HG21 THR 26 3HG2 THR 26 -3.841 8.890 -2.625 147 HG22 THR 26 1HG2 THR 26 -5.424 9.630 -2.865 148 HG23 THR 26 2HG2 THR 26 -3.976 10.423 -3.486 149 H THR 27 H THR 27 -4.775 5.615 -5.576 150 HA THR 27 HA THR 27 -5.431 6.134 -8.298 151 HB THR 27 HB THR 27 -4.593 3.514 -7.042 152 HG1 THR 27 HG1 THR 27 -2.722 4.930 -8.463 153 HG21 THR 27 3HG2 THR 27 -4.696 4.495 -9.886 154 HG22 THR 27 1HG2 THR 27 -5.451 3.057 -9.200 155 HG23 THR 27 2HG2 THR 27 -3.699 3.128 -9.389 156 H CYS 28 H CYS 28 -6.504 3.483 -6.159 157 HA CYS 28 HA CYS 28 -8.814 3.027 -7.852 158 HB2 CYS 28 1HB CYS 28 -9.212 1.074 -6.501 159 HB3 CYS 28 2HB CYS 28 -7.492 1.146 -6.871 160 H GLY 29 H GLY 29 -8.120 4.136 -4.563 161 HA2 GLY 29 1HA GLY 29 -9.397 5.760 -3.423 162 HA3 GLY 29 2HA GLY 29 -10.737 5.439 -4.513 163 H GLN 30 H GLN 30 -8.867 3.075 -2.668 164 HA GLN 30 HA GLN 30 -11.362 2.165 -1.441 165 HB2 GLN 30 1HB GLN 30 -8.705 0.905 -1.977 166 HB3 GLN 30 2HB GLN 30 -9.701 0.266 -0.677 167 HG2 GLN 30 1HG GLN 30 -10.593 0.565 -3.536 168 HG3 GLN 30 2HG GLN 30 -9.988 -0.926 -2.816 169 HE21 GLN 30 1HE2 GLN 30 -11.160 -1.284 -0.555 170 HE22 GLN 30 2HE2 GLN 30 -12.884 -1.253 -0.664 171 H HIS 31 H HIS 31 -10.902 1.134 0.850 172 HA HIS 31 HA HIS 31 -9.284 2.996 2.445 173 HB2 HIS 31 1HB HIS 31 -12.087 2.128 3.178 174 HB3 HIS 31 2HB HIS 31 -11.055 3.230 4.087 175 HD1 HIS 31 HD1 HIS 31 -11.717 5.578 3.771 176 HD2 HIS 31 HD2 HIS 31 -12.461 3.309 0.371 177 HE1 HIS 31 HE1 HIS 31 -12.737 7.168 2.110 178 HE2 HIS 31 HE2 HIS 31 -13.256 5.754 0.092 179 H TYR 32 H TYR 32 -8.360 2.143 4.290 180 HA TYR 32 HA TYR 32 -8.983 -0.579 5.087 181 HB2 TYR 32 1HB TYR 32 -6.203 0.173 4.162 182 HB3 TYR 32 2HB TYR 32 -6.685 -1.377 4.842 183 HD1 TYR 32 HD2 TYR 32 -7.083 0.861 1.925 184 HD2 TYR 32 HD1 TYR 32 -7.687 -3.050 3.490 185 HE1 TYR 32 HE2 TYR 32 -7.627 0.048 -0.332 186 HE2 TYR 32 HE1 TYR 32 -8.231 -3.874 1.237 187 HH TYR 32 HH TYR 32 -7.655 -2.037 -1.579 188 H HIS 33 H HIS 33 -9.035 -0.607 7.225 189 HA HIS 33 HA HIS 33 -8.095 1.545 8.811 190 HB2 HIS 33 1HB HIS 33 -8.930 -1.224 9.698 191 HB3 HIS 33 2HB HIS 33 -8.810 0.203 10.723 192 HD2 HIS 33 HD2 HIS 33 -10.721 2.309 9.834 193 HE1 HIS 33 HE1 HIS 33 -13.437 -0.633 8.430 194 HE2 HIS 33 HE2 HIS 33 -13.111 1.803 8.984 195 H GLY 34 H GLY 34 -6.321 1.739 10.126 196 HA2 GLY 34 1HA GLY 34 -3.907 0.660 9.387 197 HA3 GLY 34 2HA GLY 34 -4.232 1.306 10.988 198 H MET 35 H MET 35 -6.228 -0.657 11.683 199 HA MET 35 HA MET 35 -4.473 -2.712 12.629 200 HB2 MET 35 1HB MET 35 -7.338 -1.997 13.001 201 HB3 MET 35 2HB MET 35 -6.864 -3.655 13.348 202 HG2 MET 35 1HG MET 35 -6.687 -2.588 15.396 203 HG3 MET 35 2HG MET 35 -5.029 -2.627 14.801 204 HE1 MET 35 3HE MET 35 -3.975 -0.607 13.444 205 HE2 MET 35 1HE MET 35 -4.013 0.930 14.309 206 HE3 MET 35 2HE MET 35 -3.558 -0.547 15.157 207 H CYS 36 H CYS 36 -7.287 -2.673 10.447 208 HA CYS 36 HA CYS 36 -7.413 -5.342 9.791 209 HB2 CYS 36 1HB CYS 36 -8.036 -2.839 8.263 210 HB3 CYS 36 2HB CYS 36 -8.159 -4.402 7.461 211 H LEU 37 H LEU 37 -5.157 -2.914 8.654 212 HA LEU 37 HA LEU 37 -3.932 -4.833 6.815 213 HB2 LEU 37 1HB LEU 37 -3.908 -1.890 7.119 214 HB3 LEU 37 2HB LEU 37 -2.432 -2.636 6.509 215 HG LEU 37 HG LEU 37 -5.174 -2.844 5.264 216 HD11 LEU 37 1HD1 LEU 37 -2.787 -1.135 4.749 217 HD12 LEU 37 2HD1 LEU 37 -4.500 -0.722 4.707 218 HD13 LEU 37 3HD1 LEU 37 -3.786 -1.655 3.392 219 HD21 LEU 37 3HD2 LEU 37 -3.750 -3.813 3.360 220 HD22 LEU 37 1HD2 LEU 37 -4.119 -4.855 4.734 221 HD23 LEU 37 2HD2 LEU 37 -2.531 -4.099 4.603 222 H ASP 38 H ASP 38 -3.488 -3.402 9.909 223 HA ASP 38 HA ASP 38 -1.980 -3.857 11.562 224 HB2 ASP 38 1HB ASP 38 -0.404 -5.635 9.728 225 HB3 ASP 38 2HB ASP 38 -0.642 -5.768 11.468 226 H ILE 39 H ILE 39 -1.682 -1.609 9.977 227 HA ILE 39 HA ILE 39 1.242 -1.380 9.685 228 HB ILE 39 HB ILE 39 -0.867 0.361 8.404 229 HG12 ILE 39 1HG1 ILE 39 0.883 -1.719 7.082 230 HG13 ILE 39 2HG1 ILE 39 -0.780 -2.020 7.573 231 HG21 ILE 39 1HG2 ILE 39 1.527 0.590 7.020 232 HG22 ILE 39 2HG2 ILE 39 0.828 1.775 8.122 233 HG23 ILE 39 3HG2 ILE 39 1.998 0.598 8.719 234 HD11 ILE 39 3HD1 ILE 39 -1.471 -0.136 6.094 235 HD12 ILE 39 1HD1 ILE 39 0.190 -0.068 5.506 236 HD13 ILE 39 2HD1 ILE 39 -0.777 -1.521 5.253 237 H ALA 40 H ALA 40 2.325 0.227 10.731 238 HA ALA 40 HA ALA 40 1.024 1.432 12.987 239 HB1 ALA 40 3HB ALA 40 3.178 0.847 13.519 240 HB2 ALA 40 1HB ALA 40 3.816 1.335 11.949 241 HB3 ALA 40 2HB ALA 40 3.387 2.558 13.146 242 H VAL 41 H VAL 41 -0.362 3.049 12.547 243 HA VAL 41 HA VAL 41 -0.266 4.837 10.425 244 HB VAL 41 HB VAL 41 -1.439 5.301 13.171 245 HG11 VAL 41 1HG1 VAL 41 -2.991 6.754 11.563 246 HG12 VAL 41 2HG1 VAL 41 -1.551 7.412 12.341 247 HG13 VAL 41 3HG1 VAL 41 -1.480 6.875 10.663 248 HG21 VAL 41 3HG2 VAL 41 -2.584 4.114 10.651 249 HG22 VAL 41 1HG2 VAL 41 -2.409 3.343 12.227 250 HG23 VAL 41 2HG2 VAL 41 -3.570 4.652 12.010 251 H THR 42 H THR 42 0.920 6.574 9.969 252 HA THR 42 HA THR 42 2.285 8.003 12.131 253 HB THR 42 HB THR 42 4.138 6.790 11.533 254 HG1 THR 42 HG1 THR 42 5.339 8.098 9.970 255 HG21 THR 42 3HG2 THR 42 3.077 6.742 8.708 256 HG22 THR 42 1HG2 THR 42 3.128 5.398 9.848 257 HG23 THR 42 2HG2 THR 42 4.628 6.062 9.200 258 HA PRO 43 HA PRO 43 1.048 11.605 9.938 259 HB2 PRO 43 1HB PRO 43 2.986 13.343 10.709 260 HB3 PRO 43 2HB PRO 43 1.700 12.797 11.791 261 HG2 PRO 43 1HG PRO 43 4.527 11.839 11.575 262 HG3 PRO 43 2HG PRO 43 3.565 12.167 13.028 263 HD2 PRO 43 1HD PRO 43 3.957 9.663 12.075 264 HD3 PRO 43 2HD PRO 43 2.466 10.144 12.909 265 H LEU 44 H LEU 44 3.689 9.811 9.078 266 HA LEU 44 HA LEU 44 4.566 11.676 6.989 267 HB2 LEU 44 1HB LEU 44 6.401 10.832 8.209 268 HB3 LEU 44 2HB LEU 44 5.777 9.185 8.152 269 HG LEU 44 HG LEU 44 6.159 9.356 5.609 270 HD11 LEU 44 1HD1 LEU 44 6.884 11.952 6.316 271 HD12 LEU 44 2HD1 LEU 44 7.122 11.165 4.756 272 HD13 LEU 44 3HD1 LEU 44 8.404 11.128 5.967 273 HD21 LEU 44 3HD2 LEU 44 7.664 8.389 7.692 274 HD22 LEU 44 1HD2 LEU 44 8.816 9.392 6.810 275 HD23 LEU 44 2HD2 LEU 44 7.963 8.091 5.979 276 H LYS 45 H LYS 45 3.456 8.339 7.452 277 HA LYS 45 HA LYS 45 3.365 7.709 4.683 278 HB2 LYS 45 1HB LYS 45 3.387 6.139 6.765 279 HB3 LYS 45 2HB LYS 45 1.642 6.352 6.730 280 HG2 LYS 45 1HG LYS 45 1.776 5.621 4.289 281 HG3 LYS 45 2HG LYS 45 3.412 5.081 4.672 282 HD2 LYS 45 1HD LYS 45 1.073 4.237 6.349 283 HD3 LYS 45 2HD LYS 45 1.475 3.386 4.856 284 HE2 LYS 45 1HE LYS 45 2.617 2.175 6.475 285 HE3 LYS 45 2HE LYS 45 3.857 3.255 5.841 286 HZ1 LYS 45 3HZ LYS 45 2.275 4.075 8.181 287 HZ2 LYS 45 1HZ LYS 45 3.843 4.529 7.735 288 HZ3 LYS 45 2HZ LYS 45 3.559 2.993 8.383 289 H ARG 46 H ARG 46 0.805 8.499 7.033 290 HA ARG 46 HA ARG 46 -1.461 8.366 5.639 291 HB2 ARG 46 1HB ARG 46 -0.531 10.658 7.365 292 HB3 ARG 46 2HB ARG 46 -2.172 10.544 6.744 293 HG2 ARG 46 1HG ARG 46 -2.329 8.301 7.867 294 HG3 ARG 46 2HG ARG 46 -0.791 8.675 8.648 295 HD2 ARG 46 1HD ARG 46 -2.650 9.228 10.112 296 HD3 ARG 46 2HD ARG 46 -1.785 10.686 9.629 297 HE ARG 46 HE ARG 46 -4.477 9.905 8.833 298 HH11 ARG 46 2HH1 ARG 46 -1.806 12.115 8.512 299 HH12 ARG 46 1HH1 ARG 46 -2.761 13.369 7.793 300 HH21 ARG 46 2HH2 ARG 46 -5.745 11.549 7.888 301 HH22 ARG 46 1HH2 ARG 46 -5.001 13.046 7.439 302 H ALA 47 H ALA 47 0.901 10.988 5.260 303 HA ALA 47 HA ALA 47 -0.582 12.325 3.217 304 HB1 ALA 47 3HB ALA 47 1.459 13.060 4.840 305 HB2 ALA 47 1HB ALA 47 2.316 12.798 3.320 306 HB3 ALA 47 2HB ALA 47 0.973 13.940 3.390 307 H GLY 48 H GLY 48 -1.005 11.155 1.419 308 HA2 GLY 48 1HA GLY 48 -0.491 10.405 -0.719 309 HA3 GLY 48 2HA GLY 48 1.217 10.544 -0.326 310 H TRP 49 H TRP 49 -1.437 8.665 1.125 311 HA TRP 49 HA TRP 49 0.280 6.343 1.279 312 HB2 TRP 49 1HB TRP 49 -1.241 6.895 3.135 313 HB3 TRP 49 2HB TRP 49 -2.623 6.685 2.064 314 HD1 TRP 49 HD1 TRP 49 0.083 4.664 3.885 315 HE1 TRP 49 HE1 TRP 49 -0.671 2.206 3.996 316 HE3 TRP 49 HE3 TRP 49 -4.079 4.957 0.930 317 HZ2 TRP 49 HZ2 TRP 49 -2.753 0.602 2.966 318 HZ3 TRP 49 HZ3 TRP 49 -5.396 2.915 0.543 319 HH2 TRP 49 HH2 TRP 49 -4.745 0.784 1.540 320 H GLN 50 H GLN 50 -0.212 4.293 0.361 321 HA GLN 50 HA GLN 50 -2.136 4.291 -1.848 322 HB2 GLN 50 1HB GLN 50 0.812 3.960 -2.045 323 HB3 GLN 50 2HB GLN 50 -0.184 2.908 -3.041 324 HG2 GLN 50 1HG GLN 50 -1.354 5.069 -3.788 325 HG3 GLN 50 2HG GLN 50 0.050 5.889 -3.107 326 HE21 GLN 50 1HE2 GLN 50 -0.882 3.350 -5.381 327 HE22 GLN 50 2HE2 GLN 50 0.434 3.599 -6.473 328 H CYS 51 H CYS 51 -3.221 2.418 -2.074 329 HA CYS 51 HA CYS 51 -2.969 0.422 -0.059 330 HB2 CYS 51 1HB CYS 51 -4.928 -0.484 -0.909 331 HB3 CYS 51 2HB CYS 51 -5.071 1.201 -1.401 332 HA PRO 52 HA PRO 52 -0.245 -2.493 -1.883 333 HB2 PRO 52 1HB PRO 52 -1.363 -4.850 -1.131 334 HB3 PRO 52 2HB PRO 52 -0.529 -3.778 0.000 335 HG2 PRO 52 1HG PRO 52 -3.464 -4.093 -0.497 336 HG3 PRO 52 2HG PRO 52 -2.601 -3.935 1.044 337 HD2 PRO 52 1HD PRO 52 -3.891 -1.860 -0.122 338 HD3 PRO 52 2HD PRO 52 -2.425 -1.645 0.855 339 H GLU 53 H GLU 53 -3.490 -2.277 -2.876 340 HA GLU 53 HA GLU 53 -3.283 -4.345 -4.906 341 HB2 GLU 53 1HB GLU 53 -5.507 -2.341 -4.514 342 HB3 GLU 53 2HB GLU 53 -5.574 -3.839 -5.430 343 HG2 GLU 53 1HG GLU 53 -4.918 -3.963 -2.533 344 HG3 GLU 53 2HG GLU 53 -6.586 -3.670 -3.020 345 H CYS 54 H CYS 54 -2.772 -0.962 -4.584 346 HA CYS 54 HA CYS 54 -2.629 -0.663 -7.510 347 HB2 CYS 54 1HB CYS 54 -3.013 1.403 -5.337 348 HB3 CYS 54 2HB CYS 54 -2.723 1.805 -7.026 349 H LYS 55 H LYS 55 -0.880 -0.388 -4.511 350 HA LYS 55 HA LYS 55 1.329 1.098 -5.278 351 HB2 LYS 55 1HB LYS 55 1.239 0.588 -3.008 352 HB3 LYS 55 2HB LYS 55 0.927 -1.117 -3.300 353 HG2 LYS 55 1HG LYS 55 3.315 -1.151 -4.279 354 HG3 LYS 55 2HG LYS 55 3.517 0.371 -3.407 355 HD2 LYS 55 1HD LYS 55 2.626 -2.231 -2.165 356 HD3 LYS 55 2HD LYS 55 4.271 -1.594 -2.107 357 HE2 LYS 55 1HE LYS 55 3.295 -0.972 -0.061 358 HE3 LYS 55 2HE LYS 55 3.262 0.486 -1.051 359 HZ1 LYS 55 3HZ LYS 55 1.132 -0.662 0.232 360 HZ2 LYS 55 1HZ LYS 55 0.901 -1.069 -1.394 361 HZ3 LYS 55 2HZ LYS 55 1.060 0.553 -0.942 362 H VAL 56 H VAL 56 3.154 0.719 -6.422 363 HA VAL 56 HA VAL 56 3.737 -1.997 -7.334 364 HB VAL 56 HB VAL 56 3.899 -1.426 -9.636 365 HG11 VAL 56 1HG1 VAL 56 1.365 -0.003 -9.064 366 HG12 VAL 56 2HG1 VAL 56 1.683 -1.371 -10.133 367 HG13 VAL 56 3HG1 VAL 56 1.547 -1.623 -8.392 368 HG21 VAL 56 3HG2 VAL 56 3.714 1.365 -8.628 369 HG22 VAL 56 1HG2 VAL 56 4.766 0.675 -9.864 370 HG23 VAL 56 2HG2 VAL 56 3.075 1.015 -10.234 371 H CYS 57 H CYS 57 5.895 -2.312 -8.028 372 HA CYS 57 HA CYS 57 7.839 -0.933 -6.581 373 HB2 CYS 57 1HB CYS 57 8.176 -3.209 -7.414 374 HB3 CYS 57 2HB CYS 57 8.176 -2.616 -9.072 375 H GLN 58 H GLN 58 8.490 1.092 -6.827 376 HA GLN 58 HA GLN 58 8.059 2.579 -9.218 377 HB2 GLN 58 1HB GLN 58 9.653 3.222 -6.733 378 HB3 GLN 58 2HB GLN 58 9.341 4.366 -8.032 379 HG2 GLN 58 1HG GLN 58 7.058 2.996 -6.690 380 HG3 GLN 58 2HG GLN 58 7.852 4.359 -5.904 381 HE21 GLN 58 1HE2 GLN 58 5.171 3.817 -7.322 382 HE22 GLN 58 2HE2 GLN 58 4.978 5.202 -8.336 383 H ASN 59 H ASN 59 10.578 0.553 -8.108 384 HA ASN 59 HA ASN 59 12.767 1.728 -9.464 385 HB2 ASN 59 1HB ASN 59 12.488 -1.218 -8.892 386 HB3 ASN 59 2HB ASN 59 13.961 -0.255 -8.959 387 HD21 ASN 59 1HD2 ASN 59 13.863 1.670 -7.350 388 HD22 ASN 59 2HD2 ASN 59 13.382 1.247 -5.746 389 H CYS 60 H CYS 60 10.775 -1.109 -10.308 390 HA CYS 60 HA CYS 60 11.607 -0.753 -13.109 391 HB2 CYS 60 1HB CYS 60 11.080 -3.095 -13.450 392 HB3 CYS 60 2HB CYS 60 12.162 -2.939 -12.070 393 H LYS 61 H LYS 61 9.290 0.389 -11.353 394 HA LYS 61 HA LYS 61 7.071 0.888 -11.575 395 HB2 LYS 61 1HB LYS 61 7.916 0.774 -14.475 396 HB3 LYS 61 2HB LYS 61 6.402 1.468 -13.911 397 HG2 LYS 61 1HG LYS 61 9.147 2.426 -13.126 398 HG3 LYS 61 2HG LYS 61 8.116 3.166 -14.353 399 HD2 LYS 61 1HD LYS 61 6.367 3.263 -12.418 400 HD3 LYS 61 2HD LYS 61 7.786 3.100 -11.382 401 HE2 LYS 61 1HE LYS 61 7.378 5.226 -13.484 402 HE3 LYS 61 2HE LYS 61 7.172 5.450 -11.747 403 HZ1 LYS 61 3HZ LYS 61 9.566 5.465 -13.303 404 HZ2 LYS 61 1HZ LYS 61 9.674 4.387 -12.003 405 HZ3 LYS 61 2HZ LYS 61 9.306 6.014 -11.725 406 H GLN 62 H GLN 62 7.167 -1.670 -10.933 407 HA GLN 62 HA GLN 62 4.958 -2.809 -12.442 408 HB2 GLN 62 1HB GLN 62 7.620 -4.183 -12.098 409 HB3 GLN 62 2HB GLN 62 6.139 -5.061 -12.456 410 HG2 GLN 62 1HG GLN 62 7.030 -2.794 -14.190 411 HG3 GLN 62 2HG GLN 62 7.708 -4.409 -14.387 412 HE21 GLN 62 1HE2 GLN 62 5.929 -2.692 -16.082 413 HE22 GLN 62 2HE2 GLN 62 4.587 -3.708 -16.471 414 H SER 63 H SER 63 3.731 -4.318 -11.274 415 HA SER 63 HA SER 63 4.143 -4.160 -8.382 416 HB2 SER 63 1HB SER 63 1.953 -3.490 -8.932 417 HB3 SER 63 2HB SER 63 1.756 -4.790 -10.108 418 HG SER 63 HG SER 63 0.782 -5.728 -8.488 419 H GLY 64 H GLY 64 4.677 -6.281 -10.929 420 HA2 GLY 64 1HA GLY 64 4.015 -8.786 -9.924 421 HA3 GLY 64 2HA GLY 64 5.365 -8.469 -11.003 422 H GLU 65 H GLU 65 6.168 -10.358 -9.658 423 HA GLU 65 HA GLU 65 7.382 -11.233 -7.915 424 HB2 GLU 65 1HB GLU 65 8.675 -8.685 -8.753 425 HB3 GLU 65 2HB GLU 65 9.301 -9.485 -7.319 426 HG2 GLU 65 1HG GLU 65 10.609 -10.259 -9.102 427 HG3 GLU 65 2HG GLU 65 9.497 -11.573 -8.723 428 H ASP 66 H ASP 66 5.086 -10.381 -6.836 429 HA ASP 66 HA ASP 66 5.206 -8.413 -4.857 430 HB2 ASP 66 1HB ASP 66 3.548 -10.927 -5.072 431 HB3 ASP 66 2HB ASP 66 3.329 -9.746 -3.783 432 H SER 67 H SER 67 5.536 -11.943 -4.446 433 HA SER 67 HA SER 67 6.097 -12.142 -1.811 434 HB2 SER 67 1HB SER 67 7.389 -13.594 -4.121 435 HB3 SER 67 2HB SER 67 7.686 -14.034 -2.440 436 HG SER 67 HG SER 67 5.935 -15.184 -3.559 437 H LYS 68 H LYS 68 8.643 -11.673 -4.268 438 HA LYS 68 HA LYS 68 10.707 -11.178 -2.424 439 HB2 LYS 68 1HB LYS 68 10.416 -10.389 -5.326 440 HB3 LYS 68 2HB LYS 68 11.897 -10.181 -4.401 441 HG2 LYS 68 1HG LYS 68 12.368 -12.409 -4.383 442 HG3 LYS 68 2HG LYS 68 10.669 -12.882 -4.466 443 HD2 LYS 68 1HD LYS 68 10.674 -11.986 -6.834 444 HD3 LYS 68 2HD LYS 68 12.431 -11.882 -6.695 445 HE2 LYS 68 1HE LYS 68 10.998 -14.436 -6.068 446 HE3 LYS 68 2HE LYS 68 11.362 -14.001 -7.737 447 HZ1 LYS 68 3HZ LYS 68 13.180 -14.745 -5.573 448 HZ2 LYS 68 1HZ LYS 68 13.732 -13.611 -6.701 449 HZ3 LYS 68 2HZ LYS 68 13.236 -15.144 -7.216 450 H MET 69 H MET 69 8.490 -9.013 -4.120 451 HA MET 69 HA MET 69 9.530 -6.551 -3.673 452 HB2 MET 69 1HB MET 69 7.323 -7.076 -4.752 453 HB3 MET 69 2HB MET 69 6.634 -7.225 -3.141 454 HG2 MET 69 1HG MET 69 7.303 -4.883 -2.693 455 HG3 MET 69 2HG MET 69 7.841 -4.759 -4.366 456 HE1 MET 69 3HE MET 69 6.118 -4.277 -6.429 457 HE2 MET 69 1HE MET 69 4.900 -3.157 -5.817 458 HE3 MET 69 2HE MET 69 6.577 -3.010 -5.290 459 H LEU 70 H LEU 70 9.994 -5.265 -1.990 460 HA LEU 70 HA LEU 70 9.334 -6.259 0.695 461 HB2 LEU 70 1HB LEU 70 11.494 -4.361 -0.208 462 HB3 LEU 70 2HB LEU 70 11.201 -4.840 1.462 463 HG LEU 70 HG LEU 70 11.753 -6.969 -0.545 464 HD11 LEU 70 1HD1 LEU 70 13.472 -5.386 -1.086 465 HD12 LEU 70 2HD1 LEU 70 14.184 -6.685 -0.129 466 HD13 LEU 70 3HD1 LEU 70 13.834 -5.128 0.621 467 HD21 LEU 70 3HD2 LEU 70 13.086 -6.993 2.046 468 HD22 LEU 70 1HD2 LEU 70 12.089 -8.224 1.271 469 HD23 LEU 70 2HD2 LEU 70 11.328 -6.910 2.167 470 H VAL 71 H VAL 71 7.608 -5.302 1.541 471 HA VAL 71 HA VAL 71 6.888 -2.591 0.784 472 HB VAL 71 HB VAL 71 5.503 -4.601 2.561 473 HG11 VAL 71 1HG1 VAL 71 5.007 -1.731 2.087 474 HG12 VAL 71 2HG1 VAL 71 3.596 -2.788 2.015 475 HG13 VAL 71 3HG1 VAL 71 4.592 -2.744 3.470 476 HG21 VAL 71 3HG2 VAL 71 4.648 -3.542 -0.125 477 HG22 VAL 71 1HG2 VAL 71 5.590 -5.019 0.077 478 HG23 VAL 71 2HG2 VAL 71 3.972 -4.903 0.771 479 H CYS 72 H CYS 72 7.756 -0.931 1.827 480 HA CYS 72 HA CYS 72 9.191 -1.064 4.213 481 HB2 CYS 72 1HB CYS 72 9.209 0.785 2.453 482 HB3 CYS 72 2HB CYS 72 7.765 1.410 3.242 483 H ASP 73 H ASP 73 8.662 0.120 6.249 484 HA ASP 73 HA ASP 73 5.922 -0.547 7.072 485 HB2 ASP 73 1HB ASP 73 6.714 -0.922 9.232 486 HB3 ASP 73 2HB ASP 73 8.043 -1.501 8.232 487 H THR 74 H THR 74 8.269 2.046 6.939 488 HA THR 74 HA THR 74 6.601 3.885 8.420 489 HB THR 74 HB THR 74 9.214 4.225 6.951 490 HG1 THR 74 HG1 THR 74 8.806 4.792 9.668 491 HG21 THR 74 3HG2 THR 74 8.761 6.404 6.756 492 HG22 THR 74 1HG2 THR 74 8.805 6.488 8.517 493 HG23 THR 74 2HG2 THR 74 7.270 6.244 7.683 494 H CYS 75 H CYS 75 8.006 4.065 5.143 495 HA CYS 75 HA CYS 75 5.839 5.812 4.311 496 HB2 CYS 75 1HB CYS 75 7.130 6.297 2.400 497 HB3 CYS 75 2HB CYS 75 8.306 6.134 3.700 498 H ASP 76 H ASP 76 6.596 2.501 4.240 499 HA ASP 76 HA ASP 76 5.781 0.703 3.075 500 HB2 ASP 76 1HB ASP 76 3.353 2.430 3.538 501 HB3 ASP 76 2HB ASP 76 3.236 0.819 2.836 502 H LYS 77 H LYS 77 7.124 2.046 1.278 503 HA LYS 77 HA LYS 77 5.500 2.899 -0.946 504 HB2 LYS 77 1HB LYS 77 8.423 2.705 -0.379 505 HB3 LYS 77 2HB LYS 77 7.905 2.776 -2.059 506 HG2 LYS 77 1HG LYS 77 6.928 4.788 -0.072 507 HG3 LYS 77 2HG LYS 77 8.506 4.962 -0.844 508 HD2 LYS 77 1HD LYS 77 7.219 6.131 -2.328 509 HD3 LYS 77 2HD LYS 77 7.089 4.517 -3.031 510 HE2 LYS 77 1HE LYS 77 4.915 4.261 -2.381 511 HE3 LYS 77 2HE LYS 77 5.102 5.295 -0.965 512 HZ1 LYS 77 3HZ LYS 77 4.622 7.143 -2.139 513 HZ2 LYS 77 1HZ LYS 77 3.811 6.052 -3.146 514 HZ3 LYS 77 2HZ LYS 77 5.360 6.591 -3.558 515 H GLY 78 H GLY 78 8.172 0.552 -0.991 516 HA2 GLY 78 1HA GLY 78 7.558 -1.829 -1.444 517 HA3 GLY 78 2HA GLY 78 6.457 -1.188 -2.655 518 H TYR 79 H TYR 79 9.486 -2.478 -2.135 519 HA TYR 79 HA TYR 79 10.279 -1.839 -4.865 520 HB2 TYR 79 1HB TYR 79 12.217 -1.473 -2.577 521 HB3 TYR 79 2HB TYR 79 12.495 -1.120 -4.279 522 HD1 TYR 79 HD2 TYR 79 11.350 0.817 -5.338 523 HD2 TYR 79 HD1 TYR 79 11.130 0.096 -1.151 524 HE1 TYR 79 HE2 TYR 79 10.599 3.132 -4.985 525 HE2 TYR 79 HE1 TYR 79 10.377 2.409 -0.786 526 HH TYR 79 HH TYR 79 9.065 4.246 -2.740 527 H HIS 80 H HIS 80 11.145 -3.545 -5.878 528 HA HIS 80 HA HIS 80 11.240 -6.072 -4.574 529 HB2 HIS 80 1HB HIS 80 12.307 -5.316 -7.302 530 HB3 HIS 80 2HB HIS 80 11.964 -6.947 -6.732 531 HD2 HIS 80 HD2 HIS 80 8.930 -6.038 -5.480 532 HE1 HIS 80 HE1 HIS 80 8.138 -5.356 -9.592 533 HE2 HIS 80 HE2 HIS 80 7.137 -5.617 -7.296 534 H THR 81 H THR 81 13.062 -7.465 -4.334 535 HA THR 81 HA THR 81 15.287 -6.260 -3.126 536 HB THR 81 HB THR 81 16.330 -8.574 -3.313 537 HG1 THR 81 HG1 THR 81 14.533 -10.151 -3.871 538 HG21 THR 81 3HG2 THR 81 15.159 -7.956 -1.313 539 HG22 THR 81 1HG2 THR 81 14.661 -9.590 -1.749 540 HG23 THR 81 2HG2 THR 81 13.596 -8.225 -2.084 541 H PHE 82 H PHE 82 15.135 -8.057 -6.207 542 HA PHE 82 HA PHE 82 17.763 -7.412 -7.001 543 HB2 PHE 82 1HB PHE 82 17.205 -8.364 -9.115 544 HB3 PHE 82 2HB PHE 82 16.325 -9.289 -7.903 545 HD1 PHE 82 HD1 PHE 82 13.913 -9.115 -7.711 546 HD2 PHE 82 HD2 PHE 82 16.054 -6.946 -10.682 547 HE1 PHE 82 HE1 PHE 82 11.807 -8.679 -8.905 548 HE2 PHE 82 HE2 PHE 82 13.951 -6.505 -11.880 549 HZ PHE 82 HZ PHE 82 11.824 -7.372 -10.992 550 H CYS 83 H CYS 83 15.181 -5.407 -6.628 551 HA CYS 83 HA CYS 83 15.916 -3.645 -8.855 552 HB2 CYS 83 1HB CYS 83 13.502 -3.839 -7.079 553 HB3 CYS 83 2HB CYS 83 13.841 -2.355 -7.963 554 H LEU 84 H LEU 84 16.638 -4.132 -5.648 555 HA LEU 84 HA LEU 84 16.892 -1.342 -4.906 556 HB2 LEU 84 1HB LEU 84 17.597 -3.917 -3.520 557 HB3 LEU 84 2HB LEU 84 17.965 -2.332 -2.842 558 HG LEU 84 HG LEU 84 15.209 -3.412 -3.431 559 HD11 LEU 84 1HD1 LEU 84 14.947 -3.786 -1.162 560 HD12 LEU 84 2HD1 LEU 84 16.303 -2.746 -0.728 561 HD13 LEU 84 3HD1 LEU 84 16.601 -4.325 -1.454 562 HD21 LEU 84 3HD2 LEU 84 16.160 -0.736 -3.097 563 HD22 LEU 84 1HD2 LEU 84 15.140 -1.172 -1.726 564 HD23 LEU 84 2HD2 LEU 84 14.513 -1.306 -3.369 565 H GLN 85 H GLN 85 18.813 -0.232 -4.599 566 HA GLN 85 HA GLN 85 21.224 -1.515 -5.703 567 HB2 GLN 85 1HB GLN 85 21.860 0.782 -6.519 568 HB3 GLN 85 2HB GLN 85 20.493 0.047 -7.344 569 HG2 GLN 85 1HG GLN 85 18.983 1.371 -5.871 570 HG3 GLN 85 2HG GLN 85 20.409 2.197 -5.245 571 HE21 GLN 85 1HE2 GLN 85 21.229 3.865 -6.349 572 HE22 GLN 85 2HE2 GLN 85 20.666 4.402 -7.892 573 HA PRO 86 HA PRO 86 22.755 -2.412 -5.086 574 HB2 PRO 86 1HB PRO 86 23.485 -4.040 -3.040 575 HB3 PRO 86 2HB PRO 86 24.573 -2.840 -3.748 576 HG2 PRO 86 1HG PRO 86 22.937 -2.671 -1.247 577 HG3 PRO 86 2HG PRO 86 24.613 -2.160 -1.525 578 HD2 PRO 86 1HD PRO 86 22.541 -0.416 -1.513 579 HD3 PRO 86 2HD PRO 86 23.977 -0.187 -2.531 580 H VAL 87 H VAL 87 22.087 -4.803 -4.807 581 HA VAL 87 HA VAL 87 19.245 -4.822 -4.144 582 HB VAL 87 HB VAL 87 19.371 -5.815 -6.187 583 HG11 VAL 87 1HG1 VAL 87 21.690 -5.599 -6.601 584 HG12 VAL 87 2HG1 VAL 87 22.095 -6.805 -5.377 585 HG13 VAL 87 3HG1 VAL 87 21.300 -7.297 -6.873 586 HG21 VAL 87 3HG2 VAL 87 18.412 -7.473 -4.666 587 HG22 VAL 87 1HG2 VAL 87 19.273 -8.247 -5.997 588 HG23 VAL 87 2HG2 VAL 87 20.014 -8.160 -4.399 589 H MET 88 H MET 88 18.303 -6.216 -2.688 590 HA MET 88 HA MET 88 19.940 -7.079 -0.512 591 HB2 MET 88 1HB MET 88 17.009 -7.231 -1.135 592 HB3 MET 88 2HB MET 88 17.672 -8.115 0.233 593 HG2 MET 88 1HG MET 88 18.253 -5.206 -0.068 594 HG3 MET 88 2HG MET 88 16.691 -5.731 0.557 595 HE1 MET 88 3HE MET 88 16.830 -7.386 3.361 596 HE2 MET 88 1HE MET 88 17.113 -5.759 3.980 597 HE3 MET 88 2HE MET 88 16.136 -5.993 2.530 598 H LYS 89 H LYS 89 20.798 -9.021 -0.120 599 HA LYS 89 HA LYS 89 20.794 -11.035 -2.117 600 HB2 LYS 89 1HB LYS 89 21.712 -11.229 0.758 601 HB3 LYS 89 2HB LYS 89 22.144 -12.329 -0.544 602 HG2 LYS 89 1HG LYS 89 22.752 -9.458 -0.938 603 HG3 LYS 89 2HG LYS 89 23.724 -10.346 0.238 604 HD2 LYS 89 1HD LYS 89 24.965 -10.829 -1.592 605 HD3 LYS 89 2HD LYS 89 23.757 -12.101 -1.797 606 HE2 LYS 89 1HE LYS 89 22.488 -10.151 -3.078 607 HE3 LYS 89 2HE LYS 89 24.136 -9.567 -3.301 608 HZ1 LYS 89 3HZ LYS 89 22.805 -11.795 -4.531 609 HZ2 LYS 89 1HZ LYS 89 24.329 -12.195 -3.914 610 HZ3 LYS 89 2HZ LYS 89 24.174 -10.940 -5.038 611 H SER 90 H SER 90 18.991 -10.553 0.842 612 HA SER 90 HA SER 90 17.221 -12.743 0.090 613 HB2 SER 90 1HB SER 90 18.702 -12.593 2.716 614 HB3 SER 90 2HB SER 90 17.222 -13.532 2.517 615 HG SER 90 HG SER 90 18.268 -14.959 1.336 616 H VAL 91 H VAL 91 15.301 -12.802 1.694 617 HA VAL 91 HA VAL 91 14.424 -10.027 2.066 618 HB VAL 91 HB VAL 91 12.824 -12.584 1.898 619 HG11 VAL 91 1HG1 VAL 91 11.305 -10.144 1.648 620 HG12 VAL 91 2HG1 VAL 91 11.046 -11.525 2.715 621 HG13 VAL 91 3HG1 VAL 91 12.130 -10.222 3.205 622 HG21 VAL 91 3HG2 VAL 91 13.325 -10.318 -0.010 623 HG22 VAL 91 1HG2 VAL 91 13.555 -12.048 -0.266 624 HG23 VAL 91 2HG2 VAL 91 11.926 -11.380 -0.168 625 HA PRO 92 HA PRO 92 14.819 -10.536 6.453 626 HB2 PRO 92 1HB PRO 92 13.541 -8.247 7.158 627 HB3 PRO 92 2HB PRO 92 15.188 -8.269 6.517 628 HG2 PRO 92 1HG PRO 92 12.615 -7.677 5.106 629 HG3 PRO 92 2HG PRO 92 14.176 -6.845 4.983 630 HD2 PRO 92 1HD PRO 92 13.332 -8.638 3.138 631 HD3 PRO 92 2HD PRO 92 15.046 -8.422 3.545 632 H THR 93 H THR 93 13.545 -11.128 8.202 633 HA THR 93 HA THR 93 10.998 -12.245 7.589 634 HB THR 93 HB THR 93 12.476 -13.296 9.235 635 HG1 THR 93 HG1 THR 93 10.068 -13.374 9.380 636 HG21 THR 93 3HG2 THR 93 13.056 -12.340 11.290 637 HG22 THR 93 1HG2 THR 93 11.816 -11.093 11.166 638 HG23 THR 93 2HG2 THR 93 13.251 -11.015 10.143 639 H ASN 94 H ASN 94 12.062 -9.448 9.489 640 HA ASN 94 HA ASN 94 9.680 -8.004 8.975 641 HB2 ASN 94 1HB ASN 94 8.594 -9.386 10.573 642 HB3 ASN 94 2HB ASN 94 9.962 -9.308 11.680 643 HD21 ASN 94 1HD2 ASN 94 9.773 -7.963 13.313 644 HD22 ASN 94 2HD2 ASN 94 8.721 -6.595 13.389 645 H GLY 95 H GLY 95 9.711 -5.863 9.897 646 HA2 GLY 95 1HA GLY 95 10.710 -4.007 10.875 647 HA3 GLY 95 2HA GLY 95 12.005 -5.044 11.453 648 H TRP 96 H TRP 96 10.790 -4.344 8.182 649 HA TRP 96 HA TRP 96 13.552 -3.770 7.377 650 HB2 TRP 96 1HB TRP 96 12.391 -5.514 6.099 651 HB3 TRP 96 2HB TRP 96 11.115 -4.372 5.687 652 HD1 TRP 96 HD1 TRP 96 14.872 -4.971 5.017 653 HE1 TRP 96 HE1 TRP 96 15.467 -3.881 2.762 654 HE3 TRP 96 HE3 TRP 96 10.402 -2.707 4.007 655 HZ2 TRP 96 HZ2 TRP 96 14.207 -2.273 0.814 656 HZ3 TRP 96 HZ3 TRP 96 10.179 -1.411 1.927 657 HH2 TRP 96 HH2 TRP 96 12.044 -1.199 0.365 658 H LYS 97 H LYS 97 14.151 -1.848 6.480 659 HA LYS 97 HA LYS 97 12.081 0.214 6.156 660 HB2 LYS 97 1HB LYS 97 13.467 0.313 8.355 661 HB3 LYS 97 2HB LYS 97 14.766 0.890 7.319 662 HG2 LYS 97 1HG LYS 97 13.425 2.772 6.620 663 HG3 LYS 97 2HG LYS 97 12.050 2.171 7.550 664 HD2 LYS 97 1HD LYS 97 13.160 3.934 8.780 665 HD3 LYS 97 2HD LYS 97 13.388 2.395 9.613 666 HE2 LYS 97 1HE LYS 97 15.450 3.225 7.644 667 HE3 LYS 97 2HE LYS 97 15.391 4.087 9.181 668 HZ1 LYS 97 3HZ LYS 97 15.838 2.151 10.367 669 HZ2 LYS 97 1HZ LYS 97 16.868 2.039 9.030 670 HZ3 LYS 97 2HZ LYS 97 15.439 1.135 9.075 671 H CYS 98 H CYS 98 12.202 1.259 4.278 672 HA CYS 98 HA CYS 98 14.182 0.594 2.354 673 HB2 CYS 98 1HB CYS 98 12.957 1.905 0.845 674 HB3 CYS 98 2HB CYS 98 11.737 1.313 1.968 675 H LYS 99 H LYS 99 15.292 2.420 1.080 676 HA LYS 99 HA LYS 99 17.186 3.644 2.767 677 HB2 LYS 99 1HB LYS 99 17.851 3.096 0.549 678 HB3 LYS 99 2HB LYS 99 16.523 4.011 -0.151 679 HG2 LYS 99 1HG LYS 99 17.538 6.089 0.543 680 HG3 LYS 99 2HG LYS 99 18.830 5.213 1.366 681 HD2 LYS 99 1HD LYS 99 19.612 4.317 -0.743 682 HD3 LYS 99 2HD LYS 99 18.265 5.076 -1.596 683 HE2 LYS 99 1HE LYS 99 20.273 6.393 -1.890 684 HE3 LYS 99 2HE LYS 99 19.111 7.285 -0.911 685 HZ1 LYS 99 3HZ LYS 99 20.430 6.190 1.034 686 HZ2 LYS 99 1HZ LYS 99 21.019 7.586 0.282 687 HZ3 LYS 99 2HZ LYS 99 21.663 6.074 -0.119 688 H ASN 100 H ASN 100 15.011 5.346 0.512 689 HA ASN 100 HA ASN 100 15.214 7.883 1.290 690 HB2 ASN 100 1HB ASN 100 13.611 7.578 -0.351 691 HB3 ASN 100 2HB ASN 100 12.801 6.287 0.532 692 HD21 ASN 100 1HD2 ASN 100 13.281 9.748 0.331 693 HD22 ASN 100 2HD2 ASN 100 11.843 10.188 1.182 694 H CYS 101 H CYS 101 13.540 5.387 3.127 695 HA CYS 101 HA CYS 101 12.575 7.186 5.138 696 HB2 CYS 101 1HB CYS 101 12.586 4.239 4.717 697 HB3 CYS 101 2HB CYS 101 12.386 4.820 6.367 698 H ARG 102 H ARG 102 15.201 4.794 4.988 699 HA ARG 102 HA ARG 102 16.180 5.124 7.575 700 HB2 ARG 102 1HB ARG 102 17.948 3.825 6.919 701 HB3 ARG 102 2HB ARG 102 16.829 3.472 5.609 702 HG2 ARG 102 1HG ARG 102 17.965 4.900 4.118 703 HG3 ARG 102 2HG ARG 102 18.898 5.639 5.421 704 HD2 ARG 102 1HD ARG 102 20.370 3.913 5.529 705 HD3 ARG 102 2HD ARG 102 19.157 2.711 5.090 706 HE ARG 102 HE ARG 102 19.539 4.180 2.815 707 HH11 ARG 102 2HH1 ARG 102 21.584 2.341 4.951 708 HH12 ARG 102 1HH1 ARG 102 22.707 1.901 3.708 709 HH21 ARG 102 2HH2 ARG 102 21.012 3.606 1.170 710 HH22 ARG 102 1HH2 ARG 102 22.382 2.622 1.558 711 H ILE 103 H ILE 103 16.579 7.094 4.729 712 HA ILE 103 HA ILE 103 18.793 8.551 5.034 713 HB ILE 103 HB ILE 103 16.052 9.748 4.611 714 HG12 ILE 103 1HG1 ILE 103 16.444 8.095 2.937 715 HG13 ILE 103 2HG1 ILE 103 16.785 9.651 2.188 716 HG21 ILE 103 1HG2 ILE 103 18.603 10.938 3.605 717 HG22 ILE 103 2HG2 ILE 103 17.038 11.705 3.868 718 HG23 ILE 103 3HG2 ILE 103 18.050 11.272 5.246 719 HD11 ILE 103 3HD1 ILE 103 18.774 7.629 3.181 720 HD12 ILE 103 1HD1 ILE 103 18.463 8.106 1.512 721 HD13 ILE 103 2HD1 ILE 103 19.200 9.251 2.634 722 H CYS 104 H CYS 104 19.757 9.806 6.502 723 HA CYS 104 HA CYS 104 18.567 10.131 9.091 724 HB2 CYS 104 1HB CYS 104 20.977 9.680 8.810 725 HB3 CYS 104 2HB CYS 104 21.166 11.231 8.000 726 HG CYS 104 HG CYS 104 20.362 10.729 11.286 727 H ILE 105 H ILE 105 16.851 11.514 9.029 728 HA ILE 105 HA ILE 105 17.206 14.157 7.830 729 HB ILE 105 HB ILE 105 14.733 12.898 9.025 730 HG12 ILE 105 1HG1 ILE 105 15.218 13.452 6.109 731 HG13 ILE 105 2HG1 ILE 105 15.762 11.949 6.844 732 HG21 ILE 105 1HG2 ILE 105 14.013 14.955 7.295 733 HG22 ILE 105 2HG2 ILE 105 13.925 14.969 9.055 734 HG23 ILE 105 3HG2 ILE 105 15.353 15.605 8.239 735 HD11 ILE 105 3HD1 ILE 105 13.529 11.890 5.683 736 HD12 ILE 105 1HD1 ILE 105 13.561 11.281 7.337 737 HD13 ILE 105 2HD1 ILE 105 12.918 12.889 7.001 738 H SER 106 H SER 106 17.553 15.941 8.989 739 HA SER 106 HA SER 106 17.439 15.721 11.919 740 HB2 SER 106 1HB SER 106 19.653 16.260 11.000 741 HB3 SER 106 2HB SER 106 18.979 17.672 10.187 742 HG SER 106 HG SER 106 18.997 17.243 12.995 743 H GLY 107 H GLY 107 16.880 17.757 13.091 744 HA2 GLY 107 1HA GLY 107 14.447 18.857 11.932 745 HA3 GLY 107 2HA GLY 107 14.986 19.040 13.594 746 HA PRO 108 HA PRO 108 16.530 22.547 10.589 747 HB2 PRO 108 1HB PRO 108 14.297 23.851 9.761 748 HB3 PRO 108 2HB PRO 108 15.054 22.553 8.829 749 HG2 PRO 108 1HG PRO 108 12.679 22.442 10.648 750 HG3 PRO 108 2HG PRO 108 12.908 21.688 9.059 751 HD2 PRO 108 1HD PRO 108 13.184 20.314 11.376 752 HD3 PRO 108 2HD PRO 108 14.135 19.940 9.925 753 H SER 109 H SER 109 16.607 24.778 11.173 754 HA SER 109 HA SER 109 16.625 26.482 12.682 755 HB2 SER 109 1HB SER 109 13.772 25.534 12.987 756 HB3 SER 109 2HB SER 109 14.394 26.979 13.784 757 HG SER 109 HG SER 109 13.916 27.932 11.978 758 H SER 110 H SER 110 17.762 24.121 13.592 759 HA SER 110 HA SER 110 16.798 23.417 16.188 760 HB2 SER 110 1HB SER 110 19.195 22.751 14.542 761 HB3 SER 110 2HB SER 110 19.280 22.464 16.280 762 HG SER 110 HG SER 110 17.540 21.327 14.376 763 H GLY 111 H GLY 111 18.131 23.651 18.171 764 HA2 GLY 111 1HA GLY 111 18.438 26.195 19.032 765 HA3 GLY 111 2HA GLY 111 19.415 24.875 19.657 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -33.933 -5.035 -2.447 2 HA2 GLY 1 1HA GLY 1 -36.354 -3.657 -1.464 3 HA3 GLY 1 2HA GLY 1 -35.054 -4.125 -0.377 4 H SER 2 H SER 2 -33.778 -2.505 0.179 5 HA SER 2 HA SER 2 -33.845 0.027 -1.035 6 HB2 SER 2 1HB SER 2 -33.189 -0.090 1.252 7 HB3 SER 2 2HB SER 2 -31.898 -1.237 0.897 8 HG SER 2 HG SER 2 -32.003 1.529 0.454 9 H SER 3 H SER 3 -33.314 0.161 -3.149 10 HA SER 3 HA SER 3 -31.174 -1.281 -4.344 11 HB2 SER 3 1HB SER 3 -31.631 0.067 -6.331 12 HB3 SER 3 2HB SER 3 -33.145 -0.491 -5.618 13 HG SER 3 HG SER 3 -33.022 1.800 -6.243 14 H GLY 4 H GLY 4 -29.151 -0.917 -3.649 15 HA2 GLY 4 1HA GLY 4 -27.136 0.290 -3.807 16 HA3 GLY 4 2HA GLY 4 -28.064 1.768 -4.015 17 H SER 5 H SER 5 -27.206 -0.695 -1.612 18 HA SER 5 HA SER 5 -27.563 1.336 0.489 19 HB2 SER 5 1HB SER 5 -28.944 -0.576 0.925 20 HB3 SER 5 2HB SER 5 -27.608 -1.685 0.616 21 HG SER 5 HG SER 5 -27.965 -1.374 2.855 22 H SER 6 H SER 6 -25.474 -1.450 -0.288 23 HA SER 6 HA SER 6 -23.388 -0.600 1.458 24 HB2 SER 6 1HB SER 6 -23.222 -2.565 -0.839 25 HB3 SER 6 2HB SER 6 -22.100 -2.431 0.515 26 HG SER 6 HG SER 6 -24.343 -3.849 0.370 27 H GLY 7 H GLY 7 -21.839 0.852 1.121 28 HA2 GLY 7 1HA GLY 7 -21.188 1.577 -1.667 29 HA3 GLY 7 2HA GLY 7 -21.444 2.809 -0.439 30 H ALA 8 H ALA 8 -19.490 3.724 -0.213 31 HA ALA 8 HA ALA 8 -17.037 2.304 -0.380 32 HB1 ALA 8 3HB ALA 8 -16.600 4.464 -0.857 33 HB2 ALA 8 1HB ALA 8 -17.873 5.068 0.202 34 HB3 ALA 8 2HB ALA 8 -16.322 4.572 0.881 35 H ASN 9 H ASN 9 -16.717 0.702 1.068 36 HA ASN 9 HA ASN 9 -16.580 1.478 3.891 37 HB2 ASN 9 1HB ASN 9 -18.189 -0.752 2.715 38 HB3 ASN 9 2HB ASN 9 -17.452 -0.980 4.298 39 HD21 ASN 9 1HD2 ASN 9 -20.261 -0.815 3.552 40 HD22 ASN 9 2HD2 ASN 9 -20.926 0.488 4.472 41 H CYS 10 H CYS 10 -15.296 -0.058 5.197 42 HA CYS 10 HA CYS 10 -12.780 -0.500 4.165 43 HB2 CYS 10 1HB CYS 10 -13.416 -0.496 6.592 44 HB3 CYS 10 2HB CYS 10 -14.046 -2.126 6.377 45 H ALA 11 H ALA 11 -12.008 -1.868 2.711 46 HA ALA 11 HA ALA 11 -13.584 -3.966 1.610 47 HB1 ALA 11 3HB ALA 11 -11.440 -4.508 0.373 48 HB2 ALA 11 1HB ALA 11 -12.094 -2.887 0.137 49 HB3 ALA 11 2HB ALA 11 -10.722 -3.136 1.217 50 H VAL 12 H VAL 12 -12.073 -3.857 4.491 51 HA VAL 12 HA VAL 12 -11.291 -6.696 4.434 52 HB VAL 12 HB VAL 12 -10.546 -4.651 6.526 53 HG11 VAL 12 1HG1 VAL 12 -10.418 -6.816 7.457 54 HG12 VAL 12 2HG1 VAL 12 -9.700 -7.487 5.991 55 HG13 VAL 12 3HG1 VAL 12 -8.767 -6.389 7.009 56 HG21 VAL 12 3HG2 VAL 12 -8.894 -3.912 5.234 57 HG22 VAL 12 1HG2 VAL 12 -8.351 -5.558 4.906 58 HG23 VAL 12 2HG2 VAL 12 -9.596 -4.822 3.896 59 H CYS 13 H CYS 13 -13.109 -4.265 6.245 60 HA CYS 13 HA CYS 13 -14.552 -6.457 7.587 61 HB2 CYS 13 1HB CYS 13 -14.771 -5.147 9.556 62 HB3 CYS 13 2HB CYS 13 -13.081 -5.024 9.078 63 H ASP 14 H ASP 14 -15.013 -4.840 5.055 64 HA ASP 14 HA ASP 14 -16.665 -3.539 4.076 65 HB2 ASP 14 1HB ASP 14 -18.887 -4.754 4.285 66 HB3 ASP 14 2HB ASP 14 -17.524 -5.728 3.739 67 H SER 15 H SER 15 -15.927 -2.304 6.459 68 HA SER 15 HA SER 15 -18.505 -1.167 7.295 69 HB2 SER 15 1HB SER 15 -17.254 -2.790 8.982 70 HB3 SER 15 2HB SER 15 -16.305 -1.341 9.309 71 HG SER 15 HG SER 15 -18.035 -0.366 10.132 72 HA PRO 16 HA PRO 16 -16.617 2.685 6.317 73 HB2 PRO 16 1HB PRO 16 -18.188 4.328 7.802 74 HB3 PRO 16 2HB PRO 16 -18.744 3.554 6.313 75 HG2 PRO 16 1HG PRO 16 -19.219 2.749 9.157 76 HG3 PRO 16 2HG PRO 16 -20.358 2.782 7.798 77 HD2 PRO 16 1HD PRO 16 -19.178 0.501 8.656 78 HD3 PRO 16 2HD PRO 16 -19.603 0.775 6.954 79 H GLY 17 H GLY 17 -17.361 2.160 9.766 80 HA2 GLY 17 1HA GLY 17 -16.296 2.982 11.655 81 HA3 GLY 17 2HA GLY 17 -14.903 2.264 10.859 82 H ASP 18 H ASP 18 -13.370 3.725 11.462 83 HA ASP 18 HA ASP 18 -13.777 6.549 11.319 84 HB2 ASP 18 1HB ASP 18 -11.236 4.931 11.604 85 HB3 ASP 18 2HB ASP 18 -11.341 6.680 11.787 86 H LEU 19 H LEU 19 -13.459 7.908 9.671 87 HA LEU 19 HA LEU 19 -12.615 6.797 7.115 88 HB2 LEU 19 1HB LEU 19 -14.075 9.233 8.000 89 HB3 LEU 19 2HB LEU 19 -13.225 9.284 6.457 90 HG LEU 19 HG LEU 19 -15.600 8.754 6.185 91 HD11 LEU 19 1HD1 LEU 19 -13.398 7.076 5.283 92 HD12 LEU 19 2HD1 LEU 19 -14.732 7.785 4.374 93 HD13 LEU 19 3HD1 LEU 19 -14.961 6.260 5.231 94 HD21 LEU 19 3HD2 LEU 19 -16.179 7.651 8.184 95 HD22 LEU 19 1HD2 LEU 19 -14.912 6.441 7.978 96 HD23 LEU 19 2HD2 LEU 19 -16.320 6.433 6.915 97 H LEU 20 H LEU 20 -11.486 8.954 9.590 98 HA LEU 20 HA LEU 20 -9.373 10.058 7.944 99 HB2 LEU 20 1HB LEU 20 -10.126 10.365 10.837 100 HB3 LEU 20 2HB LEU 20 -8.660 11.073 10.163 101 HG LEU 20 HG LEU 20 -11.357 11.695 9.004 102 HD11 LEU 20 1HD1 LEU 20 -11.943 12.652 10.929 103 HD12 LEU 20 2HD1 LEU 20 -10.695 13.849 10.584 104 HD13 LEU 20 3HD1 LEU 20 -10.328 12.465 11.612 105 HD21 LEU 20 3HD2 LEU 20 -9.229 13.706 9.131 106 HD22 LEU 20 1HD2 LEU 20 -10.273 13.236 7.789 107 HD23 LEU 20 2HD2 LEU 20 -8.837 12.283 8.165 108 H ASP 21 H ASP 21 -9.514 8.098 10.921 109 HA ASP 21 HA ASP 21 -6.844 7.519 11.211 110 HB2 ASP 21 1HB ASP 21 -9.300 5.882 11.814 111 HB3 ASP 21 2HB ASP 21 -7.684 5.298 12.202 112 H GLN 22 H GLN 22 -9.205 5.888 9.140 113 HA GLN 22 HA GLN 22 -7.417 3.875 8.230 114 HB2 GLN 22 1HB GLN 22 -9.122 3.440 6.506 115 HB3 GLN 22 2HB GLN 22 -9.825 3.553 8.114 116 HG2 GLN 22 1HG GLN 22 -11.294 4.731 6.748 117 HG3 GLN 22 2HG GLN 22 -10.335 5.980 7.540 118 HE21 GLN 22 1HE2 GLN 22 -10.986 4.320 4.558 119 HE22 GLN 22 2HE2 GLN 22 -10.172 5.438 3.522 120 H PHE 23 H PHE 23 -7.004 3.657 5.782 121 HA PHE 23 HA PHE 23 -5.870 6.206 4.844 122 HB2 PHE 23 1HB PHE 23 -5.015 3.379 4.185 123 HB3 PHE 23 2HB PHE 23 -4.255 4.846 3.578 124 HD1 PHE 23 HD2 PHE 23 -5.013 2.992 6.700 125 HD2 PHE 23 HD1 PHE 23 -2.551 5.883 4.776 126 HE1 PHE 23 HE2 PHE 23 -3.530 3.030 8.662 127 HE2 PHE 23 HE1 PHE 23 -1.064 5.925 6.736 128 HZ PHE 23 HZ PHE 23 -1.553 4.498 8.683 129 H PHE 24 H PHE 24 -6.009 6.746 2.633 130 HA PHE 24 HA PHE 24 -8.095 5.288 1.148 131 HB2 PHE 24 1HB PHE 24 -9.110 7.327 1.792 132 HB3 PHE 24 2HB PHE 24 -7.654 8.254 1.443 133 HD1 PHE 24 HD2 PHE 24 -7.006 8.701 -0.896 134 HD2 PHE 24 HD1 PHE 24 -10.693 6.823 0.100 135 HE1 PHE 24 HE2 PHE 24 -7.866 9.204 -3.145 136 HE2 PHE 24 HE1 PHE 24 -11.559 7.323 -2.148 137 HZ PHE 24 HZ PHE 24 -10.146 8.516 -3.774 138 H CYS 25 H CYS 25 -7.226 4.304 -0.544 139 HA CYS 25 HA CYS 25 -4.690 4.914 -1.617 140 HB2 CYS 25 1HB CYS 25 -5.775 2.682 -1.756 141 HB3 CYS 25 2HB CYS 25 -6.929 3.343 -2.910 142 H THR 26 H THR 26 -4.159 5.689 -3.732 143 HA THR 26 HA THR 26 -5.998 7.789 -4.629 144 HB THR 26 HB THR 26 -3.983 8.639 -5.895 145 HG1 THR 26 HG1 THR 26 -2.321 7.342 -5.940 146 HG21 THR 26 3HG2 THR 26 -4.772 9.151 -3.386 147 HG22 THR 26 1HG2 THR 26 -3.364 9.918 -4.119 148 HG23 THR 26 2HG2 THR 26 -3.156 8.529 -3.052 149 H THR 27 H THR 27 -4.410 4.870 -5.667 150 HA THR 27 HA THR 27 -4.919 5.217 -8.461 151 HB THR 27 HB THR 27 -4.310 2.670 -6.948 152 HG1 THR 27 HG1 THR 27 -2.164 3.242 -8.055 153 HG21 THR 27 3HG2 THR 27 -4.158 3.350 -9.886 154 HG22 THR 27 1HG2 THR 27 -5.248 2.192 -9.125 155 HG23 THR 27 2HG2 THR 27 -3.513 1.877 -9.161 156 H CYS 28 H CYS 28 -6.253 2.866 -6.127 157 HA CYS 28 HA CYS 28 -8.570 2.480 -7.842 158 HB2 CYS 28 1HB CYS 28 -9.128 0.632 -6.403 159 HB3 CYS 28 2HB CYS 28 -7.405 0.551 -6.756 160 H GLY 29 H GLY 29 -7.854 3.577 -4.540 161 HA2 GLY 29 1HA GLY 29 -8.977 5.316 -3.425 162 HA3 GLY 29 2HA GLY 29 -10.272 5.210 -4.609 163 H GLN 30 H GLN 30 -8.860 2.622 -2.646 164 HA GLN 30 HA GLN 30 -11.535 1.931 -1.721 165 HB2 GLN 30 1HB GLN 30 -8.893 0.527 -1.784 166 HB3 GLN 30 2HB GLN 30 -10.131 -0.019 -0.660 167 HG2 GLN 30 1HG GLN 30 -10.834 0.354 -3.530 168 HG3 GLN 30 2HG GLN 30 -9.923 -1.073 -3.037 169 HE21 GLN 30 1HE2 GLN 30 -12.889 0.734 -2.480 170 HE22 GLN 30 2HE2 GLN 30 -13.827 -0.613 -1.942 171 H HIS 31 H HIS 31 -11.425 0.935 0.653 172 HA HIS 31 HA HIS 31 -10.131 2.942 2.379 173 HB2 HIS 31 1HB HIS 31 -12.828 1.669 2.876 174 HB3 HIS 31 2HB HIS 31 -12.067 2.940 3.828 175 HD1 HIS 31 HD1 HIS 31 -13.167 5.099 3.401 176 HD2 HIS 31 HD2 HIS 31 -13.008 2.758 -0.028 177 HE1 HIS 31 HE1 HIS 31 -14.236 6.482 1.593 178 HE2 HIS 31 HE2 HIS 31 -14.205 5.012 -0.452 179 H TYR 32 H TYR 32 -8.945 2.174 4.017 180 HA TYR 32 HA TYR 32 -9.384 -0.551 4.974 181 HB2 TYR 32 1HB TYR 32 -6.701 0.453 4.002 182 HB3 TYR 32 2HB TYR 32 -6.983 -1.086 4.806 183 HD1 TYR 32 HD1 TYR 32 -8.293 -2.858 3.655 184 HD2 TYR 32 HD2 TYR 32 -7.160 0.737 1.680 185 HE1 TYR 32 HE1 TYR 32 -8.746 -3.916 1.482 186 HE2 TYR 32 HE2 TYR 32 -7.612 -0.311 -0.498 187 HH TYR 32 HH TYR 32 -9.309 -3.211 -0.827 188 H HIS 33 H HIS 33 -9.426 -0.542 7.114 189 HA HIS 33 HA HIS 33 -8.722 1.753 8.634 190 HB2 HIS 33 1HB HIS 33 -9.547 -1.045 9.396 191 HB3 HIS 33 2HB HIS 33 -9.161 0.181 10.601 192 HD2 HIS 33 HD2 HIS 33 -10.818 2.706 9.619 193 HE1 HIS 33 HE1 HIS 33 -14.128 0.077 9.262 194 HE2 HIS 33 HE2 HIS 33 -13.379 2.480 9.336 195 H GLY 34 H GLY 34 -7.274 1.602 10.591 196 HA2 GLY 34 1HA GLY 34 -4.653 0.785 9.706 197 HA3 GLY 34 2HA GLY 34 -5.038 1.622 11.203 198 H MET 35 H MET 35 -7.110 -0.532 11.749 199 HA MET 35 HA MET 35 -5.234 -2.383 13.010 200 HB2 MET 35 1HB MET 35 -8.176 -1.858 13.439 201 HB3 MET 35 2HB MET 35 -7.296 -3.144 14.255 202 HG2 MET 35 1HG MET 35 -6.298 -0.340 14.415 203 HG3 MET 35 2HG MET 35 -7.652 -0.851 15.420 204 HE1 MET 35 3HE MET 35 -4.151 -0.185 15.360 205 HE2 MET 35 1HE MET 35 -3.286 -1.484 16.180 206 HE3 MET 35 2HE MET 35 -3.830 -1.701 14.517 207 H CYS 36 H CYS 36 -7.978 -2.352 10.793 208 HA CYS 36 HA CYS 36 -8.393 -5.091 10.533 209 HB2 CYS 36 1HB CYS 36 -8.829 -2.753 8.708 210 HB3 CYS 36 2HB CYS 36 -9.103 -4.387 8.115 211 H LEU 37 H LEU 37 -6.002 -3.000 9.031 212 HA LEU 37 HA LEU 37 -4.927 -5.270 7.521 213 HB2 LEU 37 1HB LEU 37 -4.742 -2.316 7.286 214 HB3 LEU 37 2HB LEU 37 -3.370 -3.270 6.725 215 HG LEU 37 HG LEU 37 -6.207 -3.525 5.727 216 HD11 LEU 37 1HD1 LEU 37 -3.915 -2.562 4.083 217 HD12 LEU 37 2HD1 LEU 37 -4.731 -1.438 5.169 218 HD13 LEU 37 3HD1 LEU 37 -5.643 -2.256 3.901 219 HD21 LEU 37 3HD2 LEU 37 -4.900 -4.812 3.893 220 HD22 LEU 37 1HD2 LEU 37 -5.296 -5.627 5.407 221 HD23 LEU 37 2HD2 LEU 37 -3.669 -4.997 5.144 222 H ASP 38 H ASP 38 -4.575 -3.973 10.495 223 HA ASP 38 HA ASP 38 -2.993 -4.108 12.124 224 HB2 ASP 38 1HB ASP 38 -1.428 -5.941 10.315 225 HB3 ASP 38 2HB ASP 38 -1.483 -5.929 12.075 226 H ILE 39 H ILE 39 -2.793 -1.957 10.352 227 HA ILE 39 HA ILE 39 0.107 -1.628 9.986 228 HB ILE 39 HB ILE 39 -2.156 -0.010 8.809 229 HG12 ILE 39 1HG1 ILE 39 -0.248 -1.919 7.445 230 HG13 ILE 39 2HG1 ILE 39 -1.892 -2.336 7.916 231 HG21 ILE 39 1HG2 ILE 39 0.326 0.355 7.466 232 HG22 ILE 39 2HG2 ILE 39 -0.661 1.549 8.307 233 HG23 ILE 39 3HG2 ILE 39 0.569 0.645 9.189 234 HD11 ILE 39 3HD1 ILE 39 -2.779 -0.671 6.411 235 HD12 ILE 39 1HD1 ILE 39 -1.148 -0.147 5.991 236 HD13 ILE 39 2HD1 ILE 39 -1.699 -1.761 5.542 237 H ALA 40 H ALA 40 1.206 0.037 10.938 238 HA ALA 40 HA ALA 40 -0.064 1.262 13.232 239 HB1 ALA 40 3HB ALA 40 2.109 0.430 13.637 240 HB2 ALA 40 1HB ALA 40 2.766 1.242 12.215 241 HB3 ALA 40 2HB ALA 40 2.258 2.187 13.616 242 H VAL 41 H VAL 41 -1.317 2.978 12.822 243 HA VAL 41 HA VAL 41 -1.212 4.697 10.663 244 HB VAL 41 HB VAL 41 -2.120 5.380 13.463 245 HG11 VAL 41 1HG1 VAL 41 -2.456 7.427 12.662 246 HG12 VAL 41 2HG1 VAL 41 -2.000 6.926 11.033 247 HG13 VAL 41 3HG1 VAL 41 -3.666 6.738 11.580 248 HG21 VAL 41 3HG2 VAL 41 -4.209 4.511 12.951 249 HG22 VAL 41 1HG2 VAL 41 -3.912 4.555 11.213 250 HG23 VAL 41 2HG2 VAL 41 -3.117 3.340 12.213 251 H THR 42 H THR 42 0.159 6.220 10.029 252 HA THR 42 HA THR 42 1.735 7.672 12.027 253 HB THR 42 HB THR 42 3.368 6.117 11.426 254 HG1 THR 42 HG1 THR 42 4.564 7.835 11.050 255 HG21 THR 42 3HG2 THR 42 3.792 5.377 9.122 256 HG22 THR 42 1HG2 THR 42 2.459 6.383 8.557 257 HG23 THR 42 2HG2 THR 42 2.140 5.016 9.624 258 HA PRO 43 HA PRO 43 0.685 11.178 9.587 259 HB2 PRO 43 1HB PRO 43 2.707 12.848 10.289 260 HB3 PRO 43 2HB PRO 43 1.370 12.448 11.375 261 HG2 PRO 43 1HG PRO 43 4.140 11.317 11.285 262 HG3 PRO 43 2HG PRO 43 3.171 11.793 12.692 263 HD2 PRO 43 1HD PRO 43 3.433 9.214 11.909 264 HD3 PRO 43 2HD PRO 43 1.957 9.834 12.677 265 H LEU 44 H LEU 44 3.234 9.185 8.906 266 HA LEU 44 HA LEU 44 4.271 10.857 6.731 267 HB2 LEU 44 1HB LEU 44 5.908 9.832 8.239 268 HB3 LEU 44 2HB LEU 44 5.284 8.236 7.825 269 HG LEU 44 HG LEU 44 5.950 8.970 5.386 270 HD11 LEU 44 1HD1 LEU 44 6.610 11.271 6.397 271 HD12 LEU 44 2HD1 LEU 44 7.640 10.526 5.174 272 HD13 LEU 44 3HD1 LEU 44 8.085 10.433 6.878 273 HD21 LEU 44 3HD2 LEU 44 8.125 7.908 5.720 274 HD22 LEU 44 1HD2 LEU 44 6.853 7.050 6.590 275 HD23 LEU 44 2HD2 LEU 44 7.960 8.108 7.465 276 H LYS 45 H LYS 45 2.576 7.865 7.394 277 HA LYS 45 HA LYS 45 2.590 7.020 4.632 278 HB2 LYS 45 1HB LYS 45 1.159 5.966 7.075 279 HB3 LYS 45 2HB LYS 45 1.027 5.239 5.479 280 HG2 LYS 45 1HG LYS 45 3.429 4.805 5.472 281 HG3 LYS 45 2HG LYS 45 3.567 5.540 7.071 282 HD2 LYS 45 1HD LYS 45 2.019 3.827 7.953 283 HD3 LYS 45 2HD LYS 45 1.984 3.071 6.359 284 HE2 LYS 45 1HE LYS 45 3.633 1.813 7.272 285 HE3 LYS 45 2HE LYS 45 4.628 3.160 6.722 286 HZ1 LYS 45 3HZ LYS 45 4.962 3.893 8.824 287 HZ2 LYS 45 1HZ LYS 45 4.722 2.259 9.188 288 HZ3 LYS 45 2HZ LYS 45 3.458 3.364 9.388 289 H ARG 46 H ARG 46 0.052 8.004 6.939 290 HA ARG 46 HA ARG 46 -2.190 8.010 5.509 291 HB2 ARG 46 1HB ARG 46 -1.120 10.184 7.290 292 HB3 ARG 46 2HB ARG 46 -2.717 10.306 6.564 293 HG2 ARG 46 1HG ARG 46 -3.433 8.299 7.680 294 HG3 ARG 46 2HG ARG 46 -1.807 8.031 8.312 295 HD2 ARG 46 1HD ARG 46 -3.169 8.982 10.048 296 HD3 ARG 46 2HD ARG 46 -1.982 10.181 9.534 297 HE ARG 46 HE ARG 46 -4.214 10.699 8.032 298 HH11 ARG 46 2HH1 ARG 46 -3.487 10.506 11.431 299 HH12 ARG 46 1HH1 ARG 46 -4.688 11.668 11.887 300 HH21 ARG 46 2HH2 ARG 46 -5.799 12.230 8.619 301 HH22 ARG 46 1HH2 ARG 46 -6.003 12.648 10.287 302 H ALA 47 H ALA 47 0.125 10.718 5.303 303 HA ALA 47 HA ALA 47 -1.181 12.014 3.163 304 HB1 ALA 47 3HB ALA 47 1.133 12.445 4.766 305 HB2 ALA 47 1HB ALA 47 1.571 12.648 3.070 306 HB3 ALA 47 2HB ALA 47 0.253 13.595 3.760 307 H GLY 48 H GLY 48 -1.522 11.037 1.263 308 HA2 GLY 48 1HA GLY 48 -1.055 10.092 -0.779 309 HA3 GLY 48 2HA GLY 48 0.642 10.413 -0.458 310 H TRP 49 H TRP 49 -1.755 8.319 1.139 311 HA TRP 49 HA TRP 49 0.191 6.193 1.314 312 HB2 TRP 49 1HB TRP 49 -1.289 6.545 3.198 313 HB3 TRP 49 2HB TRP 49 -2.706 6.352 2.169 314 HD1 TRP 49 HD1 TRP 49 0.149 4.291 3.724 315 HE1 TRP 49 HE1 TRP 49 -0.585 1.825 3.804 316 HE3 TRP 49 HE3 TRP 49 -4.252 4.670 1.150 317 HZ2 TRP 49 HZ2 TRP 49 -2.744 0.250 2.896 318 HZ3 TRP 49 HZ3 TRP 49 -5.592 2.636 0.799 319 HH2 TRP 49 HH2 TRP 49 -4.851 0.473 1.654 320 H GLN 50 H GLN 50 -0.313 3.981 0.605 321 HA GLN 50 HA GLN 50 -2.085 3.839 -1.724 322 HB2 GLN 50 1HB GLN 50 0.863 3.361 -1.673 323 HB3 GLN 50 2HB GLN 50 -0.135 2.373 -2.731 324 HG2 GLN 50 1HG GLN 50 -1.083 4.662 -3.523 325 HG3 GLN 50 2HG GLN 50 0.408 5.301 -2.833 326 HE21 GLN 50 1HE2 GLN 50 -0.926 3.109 -5.218 327 HE22 GLN 50 2HE2 GLN 50 0.466 3.070 -6.240 328 H CYS 51 H CYS 51 -3.119 1.920 -1.976 329 HA CYS 51 HA CYS 51 -3.018 0.070 0.222 330 HB2 CYS 51 1HB CYS 51 -4.985 -0.834 -0.625 331 HB3 CYS 51 2HB CYS 51 -5.078 0.834 -1.181 332 HA PRO 52 HA PRO 52 -0.335 -2.999 -1.400 333 HB2 PRO 52 1HB PRO 52 -1.499 -5.277 -0.492 334 HB3 PRO 52 2HB PRO 52 -0.644 -4.148 0.565 335 HG2 PRO 52 1HG PRO 52 -3.585 -4.438 0.087 336 HG3 PRO 52 2HG PRO 52 -2.718 -4.194 1.615 337 HD2 PRO 52 1HD PRO 52 -3.967 -2.176 0.310 338 HD3 PRO 52 2HD PRO 52 -2.497 -1.925 1.273 339 H GLU 53 H GLU 53 -3.468 -2.632 -2.528 340 HA GLU 53 HA GLU 53 -3.318 -4.878 -4.394 341 HB2 GLU 53 1HB GLU 53 -5.539 -2.857 -4.066 342 HB3 GLU 53 2HB GLU 53 -5.611 -4.373 -4.953 343 HG2 GLU 53 1HG GLU 53 -4.938 -4.463 -2.063 344 HG3 GLU 53 2HG GLU 53 -6.606 -4.138 -2.531 345 H CYS 54 H CYS 54 -2.582 -1.576 -4.227 346 HA CYS 54 HA CYS 54 -2.460 -1.414 -7.168 347 HB2 CYS 54 1HB CYS 54 -2.974 0.800 -5.173 348 HB3 CYS 54 2HB CYS 54 -2.682 1.061 -6.889 349 H LYS 55 H LYS 55 -0.964 -0.345 -4.134 350 HA LYS 55 HA LYS 55 1.205 1.020 -4.760 351 HB2 LYS 55 1HB LYS 55 2.333 0.122 -2.921 352 HB3 LYS 55 2HB LYS 55 0.640 -0.177 -2.548 353 HG2 LYS 55 1HG LYS 55 0.894 -2.485 -3.372 354 HG3 LYS 55 2HG LYS 55 2.608 -2.172 -3.652 355 HD2 LYS 55 1HD LYS 55 1.329 -1.775 -0.960 356 HD3 LYS 55 2HD LYS 55 1.974 -3.337 -1.471 357 HE2 LYS 55 1HE LYS 55 4.153 -2.186 -1.922 358 HE3 LYS 55 2HE LYS 55 3.474 -0.739 -1.176 359 HZ1 LYS 55 3HZ LYS 55 3.226 -3.143 0.407 360 HZ2 LYS 55 1HZ LYS 55 3.708 -1.588 0.867 361 HZ3 LYS 55 2HZ LYS 55 4.820 -2.641 0.149 362 H VAL 56 H VAL 56 3.213 0.792 -5.700 363 HA VAL 56 HA VAL 56 3.909 -1.768 -6.921 364 HB VAL 56 HB VAL 56 4.300 -0.830 -9.108 365 HG11 VAL 56 1HG1 VAL 56 2.094 -0.681 -9.850 366 HG12 VAL 56 2HG1 VAL 56 1.966 -1.595 -8.346 367 HG13 VAL 56 3HG1 VAL 56 1.552 0.119 -8.375 368 HG21 VAL 56 3HG2 VAL 56 2.991 1.753 -8.474 369 HG22 VAL 56 1HG2 VAL 56 4.660 1.538 -7.946 370 HG23 VAL 56 2HG2 VAL 56 4.248 1.377 -9.653 371 H CYS 57 H CYS 57 6.114 -1.450 -8.138 372 HA CYS 57 HA CYS 57 7.997 -0.622 -6.180 373 HB2 CYS 57 1HB CYS 57 8.316 -2.481 -7.859 374 HB3 CYS 57 2HB CYS 57 8.561 -1.240 -9.083 375 H GLN 58 H GLN 58 9.577 1.027 -6.322 376 HA GLN 58 HA GLN 58 8.675 3.350 -7.876 377 HB2 GLN 58 1HB GLN 58 10.258 3.101 -5.326 378 HB3 GLN 58 2HB GLN 58 10.189 4.605 -6.235 379 HG2 GLN 58 1HG GLN 58 7.785 3.145 -5.164 380 HG3 GLN 58 2HG GLN 58 8.584 4.495 -4.360 381 HE21 GLN 58 1HE2 GLN 58 5.938 3.826 -5.966 382 HE22 GLN 58 2HE2 GLN 58 5.690 5.288 -6.851 383 H ASN 59 H ASN 59 11.099 1.006 -7.735 384 HA ASN 59 HA ASN 59 13.165 2.665 -8.926 385 HB2 ASN 59 1HB ASN 59 13.037 -0.242 -8.132 386 HB3 ASN 59 2HB ASN 59 14.400 0.426 -9.024 387 HD21 ASN 59 1HD2 ASN 59 13.350 -0.358 -6.044 388 HD22 ASN 59 2HD2 ASN 59 14.317 0.712 -5.092 389 H CYS 60 H CYS 60 11.142 -0.105 -9.850 390 HA CYS 60 HA CYS 60 11.928 0.305 -12.650 391 HB2 CYS 60 1HB CYS 60 11.092 -1.925 -13.076 392 HB3 CYS 60 2HB CYS 60 12.179 -1.979 -11.692 393 H LYS 61 H LYS 61 9.202 0.332 -10.464 394 HA LYS 61 HA LYS 61 7.104 1.193 -10.669 395 HB2 LYS 61 1HB LYS 61 8.021 2.216 -13.362 396 HB3 LYS 61 2HB LYS 61 6.620 2.768 -12.454 397 HG2 LYS 61 1HG LYS 61 9.341 2.951 -11.242 398 HG3 LYS 61 2HG LYS 61 8.814 4.151 -12.424 399 HD2 LYS 61 1HD LYS 61 7.079 3.455 -10.083 400 HD3 LYS 61 2HD LYS 61 8.413 4.597 -9.902 401 HE2 LYS 61 1HE LYS 61 7.465 6.118 -11.405 402 HE3 LYS 61 2HE LYS 61 6.383 4.906 -12.089 403 HZ1 LYS 61 3HZ LYS 61 5.277 6.524 -10.598 404 HZ2 LYS 61 1HZ LYS 61 6.186 5.918 -9.306 405 HZ3 LYS 61 2HZ LYS 61 5.083 4.916 -10.107 406 H GLN 62 H GLN 62 7.466 -1.462 -11.292 407 HA GLN 62 HA GLN 62 5.353 -1.857 -13.282 408 HB2 GLN 62 1HB GLN 62 8.009 -3.283 -13.210 409 HB3 GLN 62 2HB GLN 62 6.608 -3.927 -14.056 410 HG2 GLN 62 1HG GLN 62 7.471 -1.148 -14.654 411 HG3 GLN 62 2HG GLN 62 8.421 -2.488 -15.294 412 HE21 GLN 62 1HE2 GLN 62 7.875 -2.021 -17.413 413 HE22 GLN 62 2HE2 GLN 62 6.298 -2.322 -18.051 414 H SER 63 H SER 63 3.733 -2.738 -12.188 415 HA SER 63 HA SER 63 4.112 -4.196 -9.761 416 HB2 SER 63 1HB SER 63 1.753 -4.287 -9.619 417 HB3 SER 63 2HB SER 63 2.095 -2.749 -10.411 418 HG SER 63 HG SER 63 1.907 -4.548 -12.317 419 H GLY 64 H GLY 64 4.350 -6.320 -9.456 420 HA2 GLY 64 1HA GLY 64 3.217 -8.331 -11.077 421 HA3 GLY 64 2HA GLY 64 4.888 -8.084 -11.560 422 H GLU 65 H GLU 65 6.347 -7.834 -9.433 423 HA GLU 65 HA GLU 65 5.926 -10.341 -7.989 424 HB2 GLU 65 1HB GLU 65 8.327 -8.578 -8.421 425 HB3 GLU 65 2HB GLU 65 8.327 -9.852 -7.209 426 HG2 GLU 65 1HG GLU 65 9.358 -10.634 -9.243 427 HG3 GLU 65 2HG GLU 65 7.852 -11.503 -8.953 428 H ASP 66 H ASP 66 4.792 -10.147 -6.172 429 HA ASP 66 HA ASP 66 5.007 -7.719 -4.566 430 HB2 ASP 66 1HB ASP 66 3.190 -10.108 -4.185 431 HB3 ASP 66 2HB ASP 66 3.075 -8.561 -3.350 432 H SER 67 H SER 67 5.168 -11.243 -4.045 433 HA SER 67 HA SER 67 5.970 -11.317 -1.433 434 HB2 SER 67 1HB SER 67 6.977 -13.082 -3.677 435 HB3 SER 67 2HB SER 67 7.089 -13.459 -1.958 436 HG SER 67 HG SER 67 4.908 -13.548 -3.662 437 H LYS 68 H LYS 68 8.252 -11.429 -4.175 438 HA LYS 68 HA LYS 68 10.572 -11.058 -2.676 439 HB2 LYS 68 1HB LYS 68 9.925 -10.413 -5.550 440 HB3 LYS 68 2HB LYS 68 11.534 -10.197 -4.874 441 HG2 LYS 68 1HG LYS 68 11.671 -12.560 -4.364 442 HG3 LYS 68 2HG LYS 68 10.024 -12.801 -4.952 443 HD2 LYS 68 1HD LYS 68 11.260 -13.435 -6.791 444 HD3 LYS 68 2HD LYS 68 10.964 -11.731 -7.145 445 HE2 LYS 68 1HE LYS 68 13.135 -11.126 -6.716 446 HE3 LYS 68 2HE LYS 68 13.403 -12.468 -5.604 447 HZ1 LYS 68 3HZ LYS 68 13.046 -12.869 -8.515 448 HZ2 LYS 68 1HZ LYS 68 13.659 -13.962 -7.378 449 HZ3 LYS 68 2HZ LYS 68 14.564 -12.602 -7.818 450 H MET 69 H MET 69 8.412 -8.690 -4.167 451 HA MET 69 HA MET 69 9.918 -6.388 -3.787 452 HB2 MET 69 1HB MET 69 7.903 -6.322 -5.098 453 HB3 MET 69 2HB MET 69 6.926 -6.792 -3.713 454 HG2 MET 69 1HG MET 69 7.787 -4.620 -2.640 455 HG3 MET 69 2HG MET 69 8.247 -4.171 -4.280 456 HE1 MET 69 3HE MET 69 6.019 -2.376 -5.495 457 HE2 MET 69 1HE MET 69 7.040 -3.713 -6.026 458 HE3 MET 69 2HE MET 69 5.295 -3.784 -6.274 459 H LEU 70 H LEU 70 10.782 -5.621 -1.983 460 HA LEU 70 HA LEU 70 9.929 -6.425 0.611 461 HB2 LEU 70 1HB LEU 70 11.801 -4.217 -0.232 462 HB3 LEU 70 2HB LEU 70 11.600 -4.805 1.417 463 HG LEU 70 HG LEU 70 12.546 -6.569 -0.830 464 HD11 LEU 70 1HD1 LEU 70 14.736 -6.020 0.745 465 HD12 LEU 70 2HD1 LEU 70 13.960 -4.446 0.563 466 HD13 LEU 70 3HD1 LEU 70 14.424 -5.371 -0.865 467 HD21 LEU 70 3HD2 LEU 70 13.602 -7.335 1.638 468 HD22 LEU 70 1HD2 LEU 70 12.319 -8.135 0.729 469 HD23 LEU 70 2HD2 LEU 70 11.913 -6.935 1.957 470 H VAL 71 H VAL 71 8.764 -5.347 2.143 471 HA VAL 71 HA VAL 71 7.404 -2.889 1.249 472 HB VAL 71 HB VAL 71 6.429 -5.022 3.154 473 HG11 VAL 71 1HG1 VAL 71 4.581 -3.746 3.656 474 HG12 VAL 71 2HG1 VAL 71 5.835 -2.508 3.565 475 HG13 VAL 71 3HG1 VAL 71 4.738 -2.754 2.207 476 HG21 VAL 71 3HG2 VAL 71 5.593 -5.999 1.343 477 HG22 VAL 71 1HG2 VAL 71 4.635 -4.553 1.028 478 HG23 VAL 71 2HG2 VAL 71 6.241 -4.718 0.319 479 H CYS 72 H CYS 72 8.594 -1.274 2.121 480 HA CYS 72 HA CYS 72 10.052 -1.240 4.443 481 HB2 CYS 72 1HB CYS 72 9.639 0.579 2.558 482 HB3 CYS 72 2HB CYS 72 8.509 1.219 3.747 483 H ASP 73 H ASP 73 9.600 -0.057 6.488 484 HA ASP 73 HA ASP 73 6.909 -0.746 7.458 485 HB2 ASP 73 1HB ASP 73 8.738 -1.932 8.584 486 HB3 ASP 73 2HB ASP 73 9.485 -0.394 9.006 487 H THR 74 H THR 74 9.180 1.828 7.033 488 HA THR 74 HA THR 74 7.734 3.661 8.757 489 HB THR 74 HB THR 74 10.027 4.249 6.875 490 HG1 THR 74 HG1 THR 74 11.152 4.244 9.034 491 HG21 THR 74 3HG2 THR 74 10.257 6.310 7.967 492 HG22 THR 74 1HG2 THR 74 9.230 5.816 9.312 493 HG23 THR 74 2HG2 THR 74 8.517 6.144 7.733 494 H CYS 75 H CYS 75 8.642 3.653 5.303 495 HA CYS 75 HA CYS 75 6.572 5.589 4.711 496 HB2 CYS 75 1HB CYS 75 7.481 5.645 2.492 497 HB3 CYS 75 2HB CYS 75 8.834 5.624 3.619 498 H ASP 76 H ASP 76 7.064 2.161 4.491 499 HA ASP 76 HA ASP 76 5.669 0.447 3.947 500 HB2 ASP 76 1HB ASP 76 4.026 1.687 5.321 501 HB3 ASP 76 2HB ASP 76 3.522 2.578 3.888 502 H LYS 77 H LYS 77 7.151 1.193 1.911 503 HA LYS 77 HA LYS 77 5.314 1.342 -0.390 504 HB2 LYS 77 1HB LYS 77 8.007 2.548 0.084 505 HB3 LYS 77 2HB LYS 77 7.554 2.107 -1.557 506 HG2 LYS 77 1HG LYS 77 5.437 3.479 -1.147 507 HG3 LYS 77 2HG LYS 77 6.288 4.129 0.256 508 HD2 LYS 77 1HD LYS 77 8.166 4.743 -1.302 509 HD3 LYS 77 2HD LYS 77 7.101 4.308 -2.640 510 HE2 LYS 77 1HE LYS 77 6.062 6.191 -0.592 511 HE3 LYS 77 2HE LYS 77 7.278 6.792 -1.718 512 HZ1 LYS 77 3HZ LYS 77 5.811 6.829 -3.376 513 HZ2 LYS 77 1HZ LYS 77 4.612 6.669 -2.192 514 HZ3 LYS 77 2HZ LYS 77 5.189 5.301 -3.002 515 H GLY 78 H GLY 78 6.444 0.400 -2.435 516 HA2 GLY 78 1HA GLY 78 7.441 -2.264 -1.666 517 HA3 GLY 78 2HA GLY 78 6.597 -1.890 -3.161 518 H TYR 79 H TYR 79 9.375 -2.999 -2.306 519 HA TYR 79 HA TYR 79 10.804 -1.654 -4.461 520 HB2 TYR 79 1HB TYR 79 11.921 -1.912 -1.661 521 HB3 TYR 79 2HB TYR 79 12.847 -1.411 -3.072 522 HD1 TYR 79 HD2 TYR 79 12.249 0.740 -4.222 523 HD2 TYR 79 HD1 TYR 79 10.570 -0.373 -0.474 524 HE1 TYR 79 HE2 TYR 79 11.587 3.076 -3.831 525 HE2 TYR 79 HE1 TYR 79 9.902 1.960 -0.074 526 HH TYR 79 HH TYR 79 9.965 4.048 -0.825 527 H HIS 80 H HIS 80 11.341 -3.259 -5.774 528 HA HIS 80 HA HIS 80 11.538 -5.968 -4.964 529 HB2 HIS 80 1HB HIS 80 12.379 -4.581 -7.515 530 HB3 HIS 80 2HB HIS 80 12.416 -6.328 -7.289 531 HD2 HIS 80 HD2 HIS 80 9.505 -6.914 -6.096 532 HE1 HIS 80 HE1 HIS 80 8.033 -4.634 -9.358 533 HE2 HIS 80 HE2 HIS 80 7.447 -6.247 -7.514 534 H THR 81 H THR 81 13.337 -7.314 -4.796 535 HA THR 81 HA THR 81 15.613 -6.206 -3.572 536 HB THR 81 HB THR 81 16.607 -8.500 -3.836 537 HG1 THR 81 HG1 THR 81 14.076 -9.187 -4.938 538 HG21 THR 81 3HG2 THR 81 14.578 -7.629 -2.186 539 HG22 THR 81 1HG2 THR 81 15.506 -9.115 -1.983 540 HG23 THR 81 2HG2 THR 81 13.953 -9.152 -2.818 541 H PHE 82 H PHE 82 15.269 -7.741 -6.773 542 HA PHE 82 HA PHE 82 17.887 -7.254 -7.641 543 HB2 PHE 82 1HB PHE 82 16.874 -7.500 -9.961 544 HB3 PHE 82 2HB PHE 82 16.606 -8.842 -8.853 545 HD1 PHE 82 HD2 PHE 82 15.056 -6.035 -10.612 546 HD2 PHE 82 HD1 PHE 82 14.408 -9.329 -7.996 547 HE1 PHE 82 HE2 PHE 82 12.631 -5.849 -10.984 548 HE2 PHE 82 HE1 PHE 82 11.982 -9.150 -8.365 549 HZ PHE 82 HZ PHE 82 11.091 -7.407 -9.859 550 H CYS 83 H CYS 83 15.058 -5.222 -7.574 551 HA CYS 83 HA CYS 83 15.980 -3.248 -9.394 552 HB2 CYS 83 1HB CYS 83 13.832 -3.369 -7.309 553 HB3 CYS 83 2HB CYS 83 14.257 -1.817 -8.023 554 H LEU 84 H LEU 84 16.637 -3.928 -6.074 555 HA LEU 84 HA LEU 84 17.576 -1.311 -5.381 556 HB2 LEU 84 1HB LEU 84 17.955 -4.000 -4.077 557 HB3 LEU 84 2HB LEU 84 18.527 -2.481 -3.391 558 HG LEU 84 HG LEU 84 15.624 -2.993 -3.994 559 HD11 LEU 84 1HD1 LEU 84 15.263 -3.848 -1.878 560 HD12 LEU 84 2HD1 LEU 84 16.799 -3.244 -1.257 561 HD13 LEU 84 3HD1 LEU 84 16.773 -4.631 -2.346 562 HD21 LEU 84 3HD2 LEU 84 16.623 -1.181 -1.865 563 HD22 LEU 84 1HD2 LEU 84 15.195 -1.047 -2.892 564 HD23 LEU 84 2HD2 LEU 84 16.788 -0.657 -3.541 565 H GLN 85 H GLN 85 19.674 -0.569 -5.231 566 HA GLN 85 HA GLN 85 21.747 -2.271 -6.448 567 HB2 GLN 85 1HB GLN 85 22.707 -0.079 -7.340 568 HB3 GLN 85 2HB GLN 85 21.263 -0.698 -8.131 569 HG2 GLN 85 1HG GLN 85 19.890 0.916 -7.143 570 HG3 GLN 85 2HG GLN 85 21.104 1.334 -5.935 571 HE21 GLN 85 1HE2 GLN 85 23.333 1.731 -7.370 572 HE22 GLN 85 2HE2 GLN 85 23.126 3.038 -8.480 573 HA PRO 86 HA PRO 86 23.171 -3.374 -5.912 574 HB2 PRO 86 1HB PRO 86 23.779 -5.049 -3.864 575 HB3 PRO 86 2HB PRO 86 24.988 -4.052 -4.681 576 HG2 PRO 86 1HG PRO 86 23.575 -3.569 -2.086 577 HG3 PRO 86 2HG PRO 86 25.286 -3.335 -2.488 578 HD2 PRO 86 1HD PRO 86 23.516 -1.287 -2.402 579 HD3 PRO 86 2HD PRO 86 24.897 -1.310 -3.518 580 H VAL 87 H VAL 87 22.205 -5.666 -5.403 581 HA VAL 87 HA VAL 87 19.434 -5.210 -4.572 582 HB VAL 87 HB VAL 87 19.230 -6.230 -6.594 583 HG11 VAL 87 1HG1 VAL 87 21.782 -7.728 -6.014 584 HG12 VAL 87 2HG1 VAL 87 20.828 -7.904 -7.488 585 HG13 VAL 87 3HG1 VAL 87 21.579 -6.355 -7.102 586 HG21 VAL 87 3HG2 VAL 87 18.662 -8.542 -6.347 587 HG22 VAL 87 1HG2 VAL 87 19.702 -8.699 -4.932 588 HG23 VAL 87 2HG2 VAL 87 18.240 -7.716 -4.847 589 H MET 88 H MET 88 18.426 -6.388 -2.988 590 HA MET 88 HA MET 88 19.996 -7.379 -0.873 591 HB2 MET 88 1HB MET 88 17.059 -7.490 -1.498 592 HB3 MET 88 2HB MET 88 17.713 -8.309 -0.086 593 HG2 MET 88 1HG MET 88 18.290 -5.417 -0.563 594 HG3 MET 88 2HG MET 88 16.763 -5.924 0.155 595 HE1 MET 88 3HE MET 88 17.451 -5.455 3.520 596 HE2 MET 88 1HE MET 88 16.359 -5.712 2.159 597 HE3 MET 88 2HE MET 88 16.916 -7.086 3.114 598 H LYS 89 H LYS 89 19.716 -9.591 0.087 599 HA LYS 89 HA LYS 89 19.895 -11.609 -2.050 600 HB2 LYS 89 1HB LYS 89 21.300 -11.290 0.576 601 HB3 LYS 89 2HB LYS 89 21.103 -12.899 -0.107 602 HG2 LYS 89 1HG LYS 89 22.357 -10.610 -1.600 603 HG3 LYS 89 2HG LYS 89 23.272 -11.766 -0.630 604 HD2 LYS 89 1HD LYS 89 22.890 -13.500 -2.090 605 HD3 LYS 89 2HD LYS 89 21.387 -12.799 -2.696 606 HE2 LYS 89 1HE LYS 89 24.038 -11.495 -3.216 607 HE3 LYS 89 2HE LYS 89 23.452 -12.808 -4.236 608 HZ1 LYS 89 3HZ LYS 89 22.544 -11.097 -5.361 609 HZ2 LYS 89 1HZ LYS 89 22.511 -10.065 -4.021 610 HZ3 LYS 89 2HZ LYS 89 21.314 -11.245 -4.208 611 H SER 90 H SER 90 18.646 -10.992 1.201 612 HA SER 90 HA SER 90 16.655 -13.107 0.750 613 HB2 SER 90 1HB SER 90 18.251 -12.631 3.274 614 HB3 SER 90 2HB SER 90 16.809 -13.644 3.207 615 HG SER 90 HG SER 90 18.959 -14.687 2.928 616 H VAL 91 H VAL 91 14.924 -12.904 2.622 617 HA VAL 91 HA VAL 91 14.115 -10.075 2.659 618 HB VAL 91 HB VAL 91 12.405 -12.553 2.914 619 HG11 VAL 91 1HG1 VAL 91 11.381 -10.834 4.189 620 HG12 VAL 91 2HG1 VAL 91 11.712 -9.624 2.948 621 HG13 VAL 91 3HG1 VAL 91 10.528 -10.896 2.647 622 HG21 VAL 91 3HG2 VAL 91 13.315 -10.971 0.637 623 HG22 VAL 91 1HG2 VAL 91 12.602 -12.584 0.686 624 HG23 VAL 91 2HG2 VAL 91 11.563 -11.159 0.704 625 HA PRO 92 HA PRO 92 14.882 -10.264 7.047 626 HB2 PRO 92 1HB PRO 92 14.098 -7.717 7.569 627 HB3 PRO 92 2HB PRO 92 15.663 -8.112 6.847 628 HG2 PRO 92 1HG PRO 92 13.145 -7.182 5.521 629 HG3 PRO 92 2HG PRO 92 14.819 -6.676 5.225 630 HD2 PRO 92 1HD PRO 92 13.529 -8.446 3.632 631 HD3 PRO 92 2HD PRO 92 15.279 -8.520 3.921 632 H THR 93 H THR 93 13.493 -9.218 8.982 633 HA THR 93 HA THR 93 10.718 -10.123 8.567 634 HB THR 93 HB THR 93 11.887 -11.649 10.046 635 HG1 THR 93 HG1 THR 93 9.805 -10.058 10.904 636 HG21 THR 93 3HG2 THR 93 12.339 -9.407 11.993 637 HG22 THR 93 1HG2 THR 93 13.551 -9.832 10.785 638 HG23 THR 93 2HG2 THR 93 13.045 -11.022 11.984 639 H ASN 94 H ASN 94 9.569 -8.292 8.309 640 HA ASN 94 HA ASN 94 8.947 -6.077 8.599 641 HB2 ASN 94 1HB ASN 94 8.566 -7.435 11.266 642 HB3 ASN 94 2HB ASN 94 7.962 -5.813 10.940 643 HD21 ASN 94 1HD2 ASN 94 7.176 -9.000 10.954 644 HD22 ASN 94 2HD2 ASN 94 5.828 -8.971 9.874 645 H GLY 95 H GLY 95 11.707 -6.127 8.634 646 HA2 GLY 95 1HA GLY 95 12.240 -3.892 10.434 647 HA3 GLY 95 2HA GLY 95 13.260 -5.311 10.619 648 H TRP 96 H TRP 96 11.962 -3.809 7.677 649 HA TRP 96 HA TRP 96 14.736 -3.510 6.735 650 HB2 TRP 96 1HB TRP 96 13.394 -5.078 5.405 651 HB3 TRP 96 2HB TRP 96 12.194 -3.820 5.122 652 HD1 TRP 96 HD1 TRP 96 15.949 -4.455 4.373 653 HE1 TRP 96 HE1 TRP 96 16.503 -3.342 2.120 654 HE3 TRP 96 HE3 TRP 96 11.428 -2.270 3.414 655 HZ2 TRP 96 HZ2 TRP 96 15.197 -1.747 0.191 656 HZ3 TRP 96 HZ3 TRP 96 11.164 -0.967 1.343 657 HH2 TRP 96 HH2 TRP 96 13.011 -0.712 -0.233 658 H LYS 97 H LYS 97 15.244 -1.654 5.431 659 HA LYS 97 HA LYS 97 13.392 0.604 5.657 660 HB2 LYS 97 1HB LYS 97 16.083 0.371 6.895 661 HB3 LYS 97 2HB LYS 97 15.679 1.913 6.153 662 HG2 LYS 97 1HG LYS 97 13.501 1.721 7.555 663 HG3 LYS 97 2HG LYS 97 14.434 0.562 8.504 664 HD2 LYS 97 1HD LYS 97 16.215 2.325 8.713 665 HD3 LYS 97 2HD LYS 97 15.077 3.461 7.985 666 HE2 LYS 97 1HE LYS 97 13.468 2.702 9.848 667 HE3 LYS 97 2HE LYS 97 14.909 2.053 10.628 668 HZ1 LYS 97 3HZ LYS 97 15.725 4.516 10.024 669 HZ2 LYS 97 1HZ LYS 97 15.008 4.105 11.501 670 HZ3 LYS 97 2HZ LYS 97 14.078 4.808 10.275 671 H CYS 98 H CYS 98 13.126 1.457 3.712 672 HA CYS 98 HA CYS 98 14.831 0.822 1.520 673 HB2 CYS 98 1HB CYS 98 13.322 2.077 0.178 674 HB3 CYS 98 2HB CYS 98 12.340 1.282 1.404 675 H LYS 99 H LYS 99 16.200 2.159 0.338 676 HA LYS 99 HA LYS 99 17.941 3.792 1.663 677 HB2 LYS 99 1HB LYS 99 18.431 2.963 -0.554 678 HB3 LYS 99 2HB LYS 99 17.119 3.910 -1.242 679 HG2 LYS 99 1HG LYS 99 18.294 5.970 -0.660 680 HG3 LYS 99 2HG LYS 99 19.610 5.021 0.036 681 HD2 LYS 99 1HD LYS 99 20.136 4.075 -2.111 682 HD3 LYS 99 2HD LYS 99 18.717 4.830 -2.839 683 HE2 LYS 99 1HE LYS 99 19.677 6.904 -2.889 684 HE3 LYS 99 2HE LYS 99 20.693 6.587 -1.484 685 HZ1 LYS 99 3HZ LYS 99 21.114 5.437 -4.189 686 HZ2 LYS 99 1HZ LYS 99 22.108 5.201 -2.841 687 HZ3 LYS 99 2HZ LYS 99 21.979 6.736 -3.537 688 H ASN 100 H ASN 100 14.839 4.644 0.294 689 HA ASN 100 HA ASN 100 15.156 7.460 0.420 690 HB2 ASN 100 1HB ASN 100 13.401 6.910 -0.960 691 HB3 ASN 100 2HB ASN 100 12.870 5.580 0.065 692 HD21 ASN 100 1HD2 ASN 100 10.924 5.939 0.820 693 HD22 ASN 100 2HD2 ASN 100 10.303 7.454 1.371 694 H CYS 101 H CYS 101 14.136 5.026 2.717 695 HA CYS 101 HA CYS 101 13.294 7.020 4.658 696 HB2 CYS 101 1HB CYS 101 13.213 4.032 4.513 697 HB3 CYS 101 2HB CYS 101 13.088 4.817 6.084 698 H ARG 102 H ARG 102 15.761 4.466 4.416 699 HA ARG 102 HA ARG 102 17.075 4.711 6.775 700 HB2 ARG 102 1HB ARG 102 18.862 3.656 5.789 701 HB3 ARG 102 2HB ARG 102 17.613 3.330 4.595 702 HG2 ARG 102 1HG ARG 102 18.423 5.053 3.164 703 HG3 ARG 102 2HG ARG 102 19.532 5.637 4.407 704 HD2 ARG 102 1HD ARG 102 20.797 3.572 4.285 705 HD3 ARG 102 2HD ARG 102 19.653 2.914 3.116 706 HE ARG 102 HE ARG 102 20.605 5.270 2.032 707 HH11 ARG 102 2HH1 ARG 102 21.917 2.212 3.053 708 HH12 ARG 102 1HH1 ARG 102 23.216 2.239 1.908 709 HH21 ARG 102 2HH2 ARG 102 22.311 5.317 0.519 710 HH22 ARG 102 1HH2 ARG 102 23.440 4.006 0.467 711 H ILE 103 H ILE 103 17.076 7.001 4.140 712 HA ILE 103 HA ILE 103 19.207 8.578 4.418 713 HB ILE 103 HB ILE 103 16.362 9.589 4.358 714 HG12 ILE 103 1HG1 ILE 103 16.731 8.201 2.462 715 HG13 ILE 103 2HG1 ILE 103 16.920 9.856 1.894 716 HG21 ILE 103 1HG2 ILE 103 18.718 11.113 3.329 717 HG22 ILE 103 2HG2 ILE 103 17.125 11.700 3.805 718 HG23 ILE 103 3HG2 ILE 103 18.283 11.196 5.036 719 HD11 ILE 103 3HD1 ILE 103 19.116 7.902 2.525 720 HD12 ILE 103 1HD1 ILE 103 18.630 8.483 0.933 721 HD13 ILE 103 2HD1 ILE 103 19.369 9.591 2.089 722 H CYS 104 H CYS 104 20.178 9.857 5.882 723 HA CYS 104 HA CYS 104 19.439 9.682 8.612 724 HB2 CYS 104 1HB CYS 104 21.429 11.504 7.245 725 HB3 CYS 104 2HB CYS 104 21.299 11.279 8.985 726 HG CYS 104 HG CYS 104 23.059 9.573 6.848 727 H ILE 105 H ILE 105 17.716 10.673 9.428 728 HA ILE 105 HA ILE 105 16.752 13.166 8.311 729 HB ILE 105 HB ILE 105 15.703 11.550 10.638 730 HG12 ILE 105 1HG1 ILE 105 15.585 10.343 8.501 731 HG13 ILE 105 2HG1 ILE 105 13.979 10.798 9.062 732 HG21 ILE 105 1HG2 ILE 105 15.059 14.184 9.674 733 HG22 ILE 105 2HG2 ILE 105 13.668 13.110 9.533 734 HG23 ILE 105 3HG2 ILE 105 14.456 13.332 11.095 735 HD11 ILE 105 3HD1 ILE 105 15.167 11.317 6.569 736 HD12 ILE 105 1HD1 ILE 105 13.587 11.837 7.155 737 HD13 ILE 105 2HD1 ILE 105 14.999 12.868 7.392 738 H SER 106 H SER 106 18.067 12.018 11.399 739 HA SER 106 HA SER 106 17.835 14.224 12.980 740 HB2 SER 106 1HB SER 106 18.850 12.148 13.771 741 HB3 SER 106 2HB SER 106 20.258 12.422 12.745 742 HG SER 106 HG SER 106 19.626 14.499 14.449 743 H GLY 107 H GLY 107 18.188 16.284 12.475 744 HA2 GLY 107 1HA GLY 107 20.641 17.453 12.135 745 HA3 GLY 107 2HA GLY 107 20.111 17.080 10.502 746 HA PRO 108 HA PRO 108 18.479 21.255 11.113 747 HB2 PRO 108 1HB PRO 108 18.265 21.787 8.459 748 HB3 PRO 108 2HB PRO 108 19.785 21.932 9.348 749 HG2 PRO 108 1HG PRO 108 18.817 19.700 7.605 750 HG3 PRO 108 2HG PRO 108 20.428 20.435 7.688 751 HD2 PRO 108 1HD PRO 108 19.835 18.086 8.896 752 HD3 PRO 108 2HD PRO 108 21.020 19.229 9.561 753 H SER 109 H SER 109 16.510 20.347 11.973 754 HA SER 109 HA SER 109 14.507 19.055 10.605 755 HB2 SER 109 1HB SER 109 12.963 19.904 12.284 756 HB3 SER 109 2HB SER 109 14.501 19.505 13.050 757 HG SER 109 HG SER 109 14.876 21.924 12.485 758 H SER 110 H SER 110 15.452 22.392 10.418 759 HA SER 110 HA SER 110 13.057 23.274 9.093 760 HB2 SER 110 1HB SER 110 15.757 24.589 9.463 761 HB3 SER 110 2HB SER 110 14.370 25.373 8.708 762 HG SER 110 HG SER 110 14.769 24.640 11.385 763 H GLY 111 H GLY 111 13.281 24.416 6.918 764 HA2 GLY 111 1HA GLY 111 15.236 23.236 5.119 765 HA3 GLY 111 2HA GLY 111 13.570 22.750 4.847 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -34.155 4.976 -8.447 2 HA2 GLY 1 1HA GLY 1 -32.292 4.454 -7.001 3 HA3 GLY 1 2HA GLY 1 -33.392 5.468 -6.079 4 H SER 2 H SER 2 -32.238 4.371 -4.274 5 HA SER 2 HA SER 2 -33.857 2.175 -3.322 6 HB2 SER 2 1HB SER 2 -31.012 1.820 -4.141 7 HB3 SER 2 2HB SER 2 -31.554 1.000 -2.677 8 HG SER 2 HG SER 2 -32.474 -0.407 -3.918 9 H SER 3 H SER 3 -34.113 2.267 -1.166 10 HA SER 3 HA SER 3 -32.976 4.473 0.262 11 HB2 SER 3 1HB SER 3 -34.821 2.225 1.075 12 HB3 SER 3 2HB SER 3 -34.269 3.458 2.208 13 HG SER 3 HG SER 3 -36.201 4.148 1.361 14 H GLY 4 H GLY 4 -31.009 4.461 1.115 15 HA2 GLY 4 1HA GLY 4 -29.349 3.751 2.600 16 HA3 GLY 4 2HA GLY 4 -30.146 2.188 2.709 17 H SER 5 H SER 5 -27.324 3.360 1.972 18 HA SER 5 HA SER 5 -26.711 1.236 0.110 19 HB2 SER 5 1HB SER 5 -25.685 2.665 -1.576 20 HB3 SER 5 2HB SER 5 -27.382 3.105 -1.380 21 HG SER 5 HG SER 5 -25.533 4.788 -1.357 22 H SER 6 H SER 6 -24.310 1.174 -0.346 23 HA SER 6 HA SER 6 -22.789 2.261 1.930 24 HB2 SER 6 1HB SER 6 -23.229 -0.128 2.302 25 HB3 SER 6 2HB SER 6 -22.518 -0.508 0.733 26 HG SER 6 HG SER 6 -20.623 0.738 1.737 27 H GLY 7 H GLY 7 -20.635 2.814 1.543 28 HA2 GLY 7 1HA GLY 7 -19.256 2.304 -0.867 29 HA3 GLY 7 2HA GLY 7 -20.040 3.873 -0.974 30 H ALA 8 H ALA 8 -17.169 3.081 -0.863 31 HA ALA 8 HA ALA 8 -15.244 3.982 -0.041 32 HB1 ALA 8 3HB ALA 8 -15.291 6.080 1.056 33 HB2 ALA 8 1HB ALA 8 -16.625 6.090 -0.097 34 HB3 ALA 8 2HB ALA 8 -16.944 5.829 1.618 35 H ASN 9 H ASN 9 -16.714 1.789 1.304 36 HA ASN 9 HA ASN 9 -15.930 2.139 4.099 37 HB2 ASN 9 1HB ASN 9 -17.647 0.152 2.641 38 HB3 ASN 9 2HB ASN 9 -17.012 -0.227 4.239 39 HD21 ASN 9 1HD2 ASN 9 -18.458 0.109 5.748 40 HD22 ASN 9 2HD2 ASN 9 -19.603 1.402 5.800 41 H CYS 10 H CYS 10 -15.047 -0.026 5.087 42 HA CYS 10 HA CYS 10 -12.452 -0.391 4.117 43 HB2 CYS 10 1HB CYS 10 -13.594 -0.948 6.447 44 HB3 CYS 10 2HB CYS 10 -13.725 -2.553 5.733 45 H ALA 11 H ALA 11 -11.475 -1.938 2.875 46 HA ALA 11 HA ALA 11 -13.259 -3.519 1.185 47 HB1 ALA 11 3HB ALA 11 -10.358 -3.518 0.648 48 HB2 ALA 11 1HB ALA 11 -11.721 -3.343 -0.458 49 HB3 ALA 11 2HB ALA 11 -11.180 -1.965 0.500 50 H VAL 12 H VAL 12 -11.907 -4.028 4.044 51 HA VAL 12 HA VAL 12 -11.245 -6.841 3.456 52 HB VAL 12 HB VAL 12 -10.010 -6.592 5.777 53 HG11 VAL 12 1HG1 VAL 12 -9.062 -5.886 3.032 54 HG12 VAL 12 2HG1 VAL 12 -7.954 -5.796 4.402 55 HG13 VAL 12 3HG1 VAL 12 -8.732 -7.326 3.995 56 HG21 VAL 12 3HG2 VAL 12 -10.538 -4.362 6.331 57 HG22 VAL 12 1HG2 VAL 12 -8.858 -4.327 5.795 58 HG23 VAL 12 2HG2 VAL 12 -10.141 -3.782 4.714 59 H CYS 13 H CYS 13 -12.869 -4.583 5.592 60 HA CYS 13 HA CYS 13 -14.214 -6.858 6.898 61 HB2 CYS 13 1HB CYS 13 -14.367 -5.643 8.903 62 HB3 CYS 13 2HB CYS 13 -12.739 -5.305 8.322 63 H ASP 14 H ASP 14 -14.573 -4.068 4.970 64 HA ASP 14 HA ASP 14 -16.368 -3.060 4.002 65 HB2 ASP 14 1HB ASP 14 -16.897 -5.605 3.697 66 HB3 ASP 14 2HB ASP 14 -18.143 -5.302 4.905 67 H SER 15 H SER 15 -15.765 -2.188 6.537 68 HA SER 15 HA SER 15 -18.435 -1.519 7.576 69 HB2 SER 15 1HB SER 15 -16.894 -3.181 8.963 70 HB3 SER 15 2HB SER 15 -16.144 -1.672 9.485 71 HG SER 15 HG SER 15 -18.940 -2.108 9.585 72 HA PRO 16 HA PRO 16 -17.123 2.659 7.142 73 HB2 PRO 16 1HB PRO 16 -18.824 3.833 8.902 74 HB3 PRO 16 2HB PRO 16 -19.344 3.217 7.329 75 HG2 PRO 16 1HG PRO 16 -19.571 1.947 10.030 76 HG3 PRO 16 2HG PRO 16 -20.768 2.021 8.724 77 HD2 PRO 16 1HD PRO 16 -19.257 -0.177 9.193 78 HD3 PRO 16 2HD PRO 16 -19.796 0.282 7.565 79 H GLY 17 H GLY 17 -17.716 1.665 10.524 80 HA2 GLY 17 1HA GLY 17 -16.697 2.446 12.467 81 HA3 GLY 17 2HA GLY 17 -15.291 1.803 11.631 82 H ASP 18 H ASP 18 -13.643 3.159 11.538 83 HA ASP 18 HA ASP 18 -14.187 6.045 11.654 84 HB2 ASP 18 1HB ASP 18 -11.874 4.355 12.550 85 HB3 ASP 18 2HB ASP 18 -11.642 6.070 12.224 86 H LEU 19 H LEU 19 -14.107 7.046 9.762 87 HA LEU 19 HA LEU 19 -12.808 5.914 7.477 88 HB2 LEU 19 1HB LEU 19 -14.370 8.383 8.047 89 HB3 LEU 19 2HB LEU 19 -13.381 8.330 6.589 90 HG LEU 19 HG LEU 19 -14.633 6.215 5.978 91 HD11 LEU 19 1HD1 LEU 19 -15.708 6.618 8.567 92 HD12 LEU 19 2HD1 LEU 19 -16.069 5.334 7.414 93 HD13 LEU 19 3HD1 LEU 19 -17.014 6.822 7.400 94 HD21 LEU 19 3HD2 LEU 19 -15.909 7.500 4.672 95 HD22 LEU 19 1HD2 LEU 19 -15.176 8.868 5.509 96 HD23 LEU 19 2HD2 LEU 19 -16.731 8.236 6.049 97 H LEU 20 H LEU 20 -12.160 8.652 9.627 98 HA LEU 20 HA LEU 20 -9.897 9.616 8.239 99 HB2 LEU 20 1HB LEU 20 -10.611 9.871 11.157 100 HB3 LEU 20 2HB LEU 20 -9.388 10.822 10.316 101 HG LEU 20 HG LEU 20 -12.336 10.875 9.676 102 HD11 LEU 20 1HD1 LEU 20 -11.947 13.274 10.668 103 HD12 LEU 20 2HD1 LEU 20 -10.659 12.461 11.555 104 HD13 LEU 20 3HD1 LEU 20 -12.326 11.909 11.718 105 HD21 LEU 20 3HD2 LEU 20 -10.208 11.603 8.105 106 HD22 LEU 20 1HD2 LEU 20 -10.649 13.119 8.891 107 HD23 LEU 20 2HD2 LEU 20 -11.853 12.225 7.963 108 H ASP 21 H ASP 21 -10.336 7.139 10.672 109 HA ASP 21 HA ASP 21 -7.584 6.831 11.326 110 HB2 ASP 21 1HB ASP 21 -9.936 4.957 11.648 111 HB3 ASP 21 2HB ASP 21 -8.330 4.647 12.302 112 H GLN 22 H GLN 22 -9.773 5.138 9.107 113 HA GLN 22 HA GLN 22 -7.733 3.344 8.184 114 HB2 GLN 22 1HB GLN 22 -9.414 2.638 6.531 115 HB3 GLN 22 2HB GLN 22 -10.067 2.654 8.164 116 HG2 GLN 22 1HG GLN 22 -11.032 4.910 7.651 117 HG3 GLN 22 2HG GLN 22 -10.551 4.653 5.974 118 HE21 GLN 22 1HE2 GLN 22 -12.904 4.950 5.682 119 HE22 GLN 22 2HE2 GLN 22 -13.918 3.557 5.800 120 H PHE 23 H PHE 23 -6.427 3.519 6.450 121 HA PHE 23 HA PHE 23 -5.899 6.047 5.334 122 HB2 PHE 23 1HB PHE 23 -5.088 3.361 4.205 123 HB3 PHE 23 2HB PHE 23 -4.306 4.911 3.910 124 HD1 PHE 23 HD2 PHE 23 -4.950 2.320 6.453 125 HD2 PHE 23 HD1 PHE 23 -2.710 5.788 5.416 126 HE1 PHE 23 HE2 PHE 23 -3.458 1.925 8.369 127 HE2 PHE 23 HE1 PHE 23 -1.214 5.398 7.329 128 HZ PHE 23 HZ PHE 23 -1.587 3.466 8.810 129 H PHE 24 H PHE 24 -5.949 6.597 3.019 130 HA PHE 24 HA PHE 24 -8.184 5.356 1.573 131 HB2 PHE 24 1HB PHE 24 -9.295 7.241 2.336 132 HB3 PHE 24 2HB PHE 24 -7.841 8.233 2.319 133 HD1 PHE 24 HD1 PHE 24 -10.231 6.514 0.050 134 HD2 PHE 24 HD2 PHE 24 -7.463 9.705 0.574 135 HE1 PHE 24 HE1 PHE 24 -10.898 7.446 -2.127 136 HE2 PHE 24 HE2 PHE 24 -8.127 10.643 -1.602 137 HZ PHE 24 HZ PHE 24 -9.847 9.514 -2.955 138 H CYS 25 H CYS 25 -7.116 4.429 -0.073 139 HA CYS 25 HA CYS 25 -4.747 5.323 -1.245 140 HB2 CYS 25 1HB CYS 25 -5.791 3.031 -1.467 141 HB3 CYS 25 2HB CYS 25 -6.889 3.726 -2.655 142 H THR 26 H THR 26 -4.320 6.358 -3.232 143 HA THR 26 HA THR 26 -6.384 8.299 -3.988 144 HB THR 26 HB THR 26 -4.562 9.575 -5.040 145 HG1 THR 26 HG1 THR 26 -2.415 8.841 -4.769 146 HG21 THR 26 3HG2 THR 26 -3.656 10.431 -3.068 147 HG22 THR 26 1HG2 THR 26 -3.622 8.853 -2.284 148 HG23 THR 26 2HG2 THR 26 -5.159 9.683 -2.528 149 H THR 27 H THR 27 -4.452 5.682 -5.233 150 HA THR 27 HA THR 27 -4.930 6.180 -7.996 151 HB THR 27 HB THR 27 -4.159 3.603 -6.614 152 HG1 THR 27 HG1 THR 27 -2.539 5.495 -8.000 153 HG21 THR 27 3HG2 THR 27 -4.379 4.384 -9.497 154 HG22 THR 27 1HG2 THR 27 -4.912 2.905 -8.699 155 HG23 THR 27 2HG2 THR 27 -3.195 3.181 -8.988 156 H CYS 28 H CYS 28 -6.144 3.520 -5.946 157 HA CYS 28 HA CYS 28 -8.354 3.089 -7.765 158 HB2 CYS 28 1HB CYS 28 -8.870 1.162 -6.404 159 HB3 CYS 28 2HB CYS 28 -7.133 1.199 -6.691 160 H GLY 29 H GLY 29 -7.846 4.300 -4.488 161 HA2 GLY 29 1HA GLY 29 -9.186 5.934 -3.451 162 HA3 GLY 29 2HA GLY 29 -10.460 5.595 -4.614 163 H GLN 30 H GLN 30 -8.744 3.203 -2.676 164 HA GLN 30 HA GLN 30 -11.314 2.437 -1.491 165 HB2 GLN 30 1HB GLN 30 -8.706 0.945 -1.788 166 HB3 GLN 30 2HB GLN 30 -10.075 0.329 -0.872 167 HG2 GLN 30 1HG GLN 30 -10.115 1.015 -3.802 168 HG3 GLN 30 2HG GLN 30 -9.946 -0.608 -3.134 169 HE21 GLN 30 1HE2 GLN 30 -11.729 -1.120 -1.471 170 HE22 GLN 30 2HE2 GLN 30 -13.336 -0.726 -1.966 171 H HIS 31 H HIS 31 -11.095 1.470 0.782 172 HA HIS 31 HA HIS 31 -9.236 3.068 2.407 173 HB2 HIS 31 1HB HIS 31 -12.112 2.555 3.174 174 HB3 HIS 31 2HB HIS 31 -10.957 3.606 3.988 175 HD1 HIS 31 HD1 HIS 31 -11.636 5.945 3.618 176 HD2 HIS 31 HD2 HIS 31 -12.210 3.624 0.220 177 HE1 HIS 31 HE1 HIS 31 -12.483 7.528 1.857 178 HE2 HIS 31 HE2 HIS 31 -12.905 6.086 -0.164 179 H TYR 32 H TYR 32 -8.649 2.155 4.423 180 HA TYR 32 HA TYR 32 -9.560 -0.513 5.083 181 HB2 TYR 32 1HB TYR 32 -6.618 -0.099 4.554 182 HB3 TYR 32 2HB TYR 32 -7.453 -1.611 4.891 183 HD1 TYR 32 HD2 TYR 32 -7.339 1.144 2.378 184 HD2 TYR 32 HD1 TYR 32 -8.094 -2.976 3.126 185 HE1 TYR 32 HE2 TYR 32 -7.605 0.760 -0.037 186 HE2 TYR 32 HE1 TYR 32 -8.361 -3.371 0.713 187 HH TYR 32 HH TYR 32 -7.324 -1.343 -1.607 188 H HIS 33 H HIS 33 -9.498 -0.853 7.223 189 HA HIS 33 HA HIS 33 -8.690 1.265 8.956 190 HB2 HIS 33 1HB HIS 33 -9.701 -1.531 9.488 191 HB3 HIS 33 2HB HIS 33 -9.326 -0.384 10.771 192 HD2 HIS 33 HD2 HIS 33 -10.845 2.243 9.946 193 HE1 HIS 33 HE1 HIS 33 -14.212 -0.203 9.127 194 HE2 HIS 33 HE2 HIS 33 -13.388 2.150 9.481 195 H GLY 34 H GLY 34 -6.926 1.452 10.254 196 HA2 GLY 34 1HA GLY 34 -4.522 0.259 9.548 197 HA3 GLY 34 2HA GLY 34 -4.821 1.062 11.082 198 H MET 35 H MET 35 -7.052 -1.021 11.482 199 HA MET 35 HA MET 35 -5.303 -2.986 12.745 200 HB2 MET 35 1HB MET 35 -7.316 -3.693 13.960 201 HB3 MET 35 2HB MET 35 -7.032 -1.967 14.132 202 HG2 MET 35 1HG MET 35 -9.274 -1.976 13.742 203 HG3 MET 35 2HG MET 35 -8.670 -1.810 12.095 204 HE1 MET 35 3HE MET 35 -9.511 -4.208 14.844 205 HE2 MET 35 1HE MET 35 -10.421 -5.517 14.089 206 HE3 MET 35 2HE MET 35 -8.659 -5.513 14.017 207 H CYS 36 H CYS 36 -8.023 -2.835 10.480 208 HA CYS 36 HA CYS 36 -8.391 -5.558 10.056 209 HB2 CYS 36 1HB CYS 36 -8.810 -3.158 8.289 210 HB3 CYS 36 2HB CYS 36 -9.174 -4.785 7.724 211 H LEU 37 H LEU 37 -6.014 -3.354 8.710 212 HA LEU 37 HA LEU 37 -4.871 -5.556 7.135 213 HB2 LEU 37 1HB LEU 37 -4.863 -2.598 6.867 214 HB3 LEU 37 2HB LEU 37 -3.453 -3.481 6.286 215 HG LEU 37 HG LEU 37 -6.285 -3.958 5.361 216 HD11 LEU 37 1HD1 LEU 37 -6.006 -2.473 3.699 217 HD12 LEU 37 2HD1 LEU 37 -4.292 -2.846 3.511 218 HD13 LEU 37 3HD1 LEU 37 -4.822 -1.754 4.791 219 HD21 LEU 37 3HD2 LEU 37 -4.025 -4.833 3.721 220 HD22 LEU 37 1HD2 LEU 37 -5.522 -5.669 4.134 221 HD23 LEU 37 2HD2 LEU 37 -4.168 -5.675 5.265 222 H ASP 38 H ASP 38 -4.471 -3.861 10.004 223 HA ASP 38 HA ASP 38 -2.881 -3.979 11.633 224 HB2 ASP 38 1HB ASP 38 -2.645 -6.363 10.710 225 HB3 ASP 38 2HB ASP 38 -1.235 -5.759 9.844 226 H ILE 39 H ILE 39 -2.861 -1.908 9.708 227 HA ILE 39 HA ILE 39 -0.010 -1.401 9.242 228 HB ILE 39 HB ILE 39 -2.399 0.140 8.224 229 HG12 ILE 39 1HG1 ILE 39 -0.593 -1.749 6.705 230 HG13 ILE 39 2HG1 ILE 39 -2.164 -2.211 7.353 231 HG21 ILE 39 1HG2 ILE 39 -0.042 0.505 6.673 232 HG22 ILE 39 2HG2 ILE 39 -0.965 1.703 7.580 233 HG23 ILE 39 3HG2 ILE 39 0.343 0.818 8.366 234 HD11 ILE 39 3HD1 ILE 39 -2.018 -1.549 4.893 235 HD12 ILE 39 1HD1 ILE 39 -3.310 -0.842 5.863 236 HD13 ILE 39 2HD1 ILE 39 -1.872 0.106 5.483 237 H ALA 40 H ALA 40 1.080 0.229 10.216 238 HA ALA 40 HA ALA 40 -0.160 1.454 12.527 239 HB1 ALA 40 3HB ALA 40 2.284 2.497 12.581 240 HB2 ALA 40 1HB ALA 40 1.947 0.856 13.132 241 HB3 ALA 40 2HB ALA 40 2.608 1.127 11.519 242 H VAL 41 H VAL 41 -1.163 3.345 12.458 243 HA VAL 41 HA VAL 41 -1.216 5.012 10.186 244 HB VAL 41 HB VAL 41 -2.010 5.685 13.022 245 HG11 VAL 41 1HG1 VAL 41 -2.124 7.754 12.137 246 HG12 VAL 41 2HG1 VAL 41 -2.156 7.157 10.476 247 HG13 VAL 41 3HG1 VAL 41 -3.631 7.156 11.443 248 HG21 VAL 41 3HG2 VAL 41 -3.094 3.782 11.305 249 HG22 VAL 41 1HG2 VAL 41 -3.850 4.462 12.746 250 HG23 VAL 41 2HG2 VAL 41 -4.165 5.176 11.164 251 H THR 42 H THR 42 0.355 6.281 9.476 252 HA THR 42 HA THR 42 2.024 7.698 11.450 253 HB THR 42 HB THR 42 3.839 7.615 9.637 254 HG1 THR 42 HG1 THR 42 2.070 6.576 8.184 255 HG21 THR 42 3HG2 THR 42 3.700 6.264 11.812 256 HG22 THR 42 1HG2 THR 42 4.765 5.658 10.545 257 HG23 THR 42 2HG2 THR 42 3.183 4.920 10.794 258 HA PRO 43 HA PRO 43 0.986 11.442 9.404 259 HB2 PRO 43 1HB PRO 43 3.264 12.879 9.748 260 HB3 PRO 43 2HB PRO 43 2.140 12.531 11.066 261 HG2 PRO 43 1HG PRO 43 4.709 11.167 10.357 262 HG3 PRO 43 2HG PRO 43 4.095 11.637 11.953 263 HD2 PRO 43 1HD PRO 43 3.936 9.100 11.019 264 HD3 PRO 43 2HD PRO 43 2.714 9.797 12.102 265 H LEU 44 H LEU 44 3.491 9.435 8.270 266 HA LEU 44 HA LEU 44 4.086 11.096 5.953 267 HB2 LEU 44 1HB LEU 44 5.775 9.676 7.279 268 HB3 LEU 44 2HB LEU 44 5.087 8.306 6.410 269 HG LEU 44 HG LEU 44 5.738 9.385 4.278 270 HD11 LEU 44 1HD1 LEU 44 6.321 11.584 6.069 271 HD12 LEU 44 2HD1 LEU 44 6.142 11.571 4.315 272 HD13 LEU 44 3HD1 LEU 44 7.699 11.181 5.045 273 HD21 LEU 44 3HD2 LEU 44 7.973 8.956 6.258 274 HD22 LEU 44 1HD2 LEU 44 8.142 8.959 4.503 275 HD23 LEU 44 2HD2 LEU 44 7.179 7.711 5.294 276 H LYS 45 H LYS 45 2.815 7.835 6.608 277 HA LYS 45 HA LYS 45 2.167 7.154 3.983 278 HB2 LYS 45 1HB LYS 45 0.893 6.324 6.593 279 HB3 LYS 45 2HB LYS 45 0.500 5.591 5.044 280 HG2 LYS 45 1HG LYS 45 2.835 4.889 4.793 281 HG3 LYS 45 2HG LYS 45 3.207 5.601 6.365 282 HD2 LYS 45 1HD LYS 45 1.236 4.062 7.171 283 HD3 LYS 45 2HD LYS 45 1.627 3.156 5.707 284 HE2 LYS 45 1HE LYS 45 4.082 3.373 6.625 285 HE3 LYS 45 2HE LYS 45 3.255 3.602 8.165 286 HZ1 LYS 45 3HZ LYS 45 3.867 1.258 7.625 287 HZ2 LYS 45 1HZ LYS 45 2.733 1.301 6.370 288 HZ3 LYS 45 2HZ LYS 45 2.229 1.493 7.973 289 H ARG 46 H ARG 46 -0.086 8.317 6.498 290 HA ARG 46 HA ARG 46 -2.390 8.607 5.185 291 HB2 ARG 46 1HB ARG 46 -1.086 10.650 6.985 292 HB3 ARG 46 2HB ARG 46 -2.759 10.762 6.455 293 HG2 ARG 46 1HG ARG 46 -3.376 8.828 7.642 294 HG3 ARG 46 2HG ARG 46 -1.695 8.353 7.893 295 HD2 ARG 46 1HD ARG 46 -2.483 9.234 9.954 296 HD3 ARG 46 2HD ARG 46 -1.410 10.445 9.251 297 HE ARG 46 HE ARG 46 -3.180 11.879 9.160 298 HH11 ARG 46 2HH1 ARG 46 -4.396 8.628 9.415 299 HH12 ARG 46 1HH1 ARG 46 -6.050 9.119 9.571 300 HH21 ARG 46 2HH2 ARG 46 -5.353 12.540 9.365 301 HH22 ARG 46 1HH2 ARG 46 -6.594 11.345 9.542 302 H ALA 47 H ALA 47 0.382 10.770 4.800 303 HA ALA 47 HA ALA 47 -0.858 12.613 3.063 304 HB1 ALA 47 3HB ALA 47 1.118 13.351 4.065 305 HB2 ALA 47 1HB ALA 47 2.005 11.900 3.600 306 HB3 ALA 47 2HB ALA 47 1.564 13.094 2.379 307 H GLY 48 H GLY 48 -2.039 10.987 1.739 308 HA2 GLY 48 1HA GLY 48 -2.326 10.268 -0.451 309 HA3 GLY 48 2HA GLY 48 -0.624 10.585 -0.748 310 H TRP 49 H TRP 49 -1.936 8.554 1.816 311 HA TRP 49 HA TRP 49 -0.215 6.484 1.679 312 HB2 TRP 49 1HB TRP 49 -1.964 6.581 3.361 313 HB3 TRP 49 2HB TRP 49 -3.199 6.294 2.139 314 HD1 TRP 49 HD1 TRP 49 -0.088 4.425 3.534 315 HE1 TRP 49 HE1 TRP 49 -0.639 1.911 3.584 316 HE3 TRP 49 HE3 TRP 49 -4.763 4.578 1.471 317 HZ2 TRP 49 HZ2 TRP 49 -2.773 0.218 2.846 318 HZ3 TRP 49 HZ3 TRP 49 -5.992 2.467 1.177 319 HH2 TRP 49 HH2 TRP 49 -5.016 0.333 1.850 320 H GLN 50 H GLN 50 -0.371 4.299 0.779 321 HA GLN 50 HA GLN 50 -1.794 4.164 -1.785 322 HB2 GLN 50 1HB GLN 50 1.137 3.943 -1.308 323 HB3 GLN 50 2HB GLN 50 0.420 2.873 -2.505 324 HG2 GLN 50 1HG GLN 50 -0.657 5.156 -3.328 325 HG3 GLN 50 2HG GLN 50 0.787 5.808 -2.555 326 HE21 GLN 50 1HE2 GLN 50 -0.323 3.457 -4.936 327 HE22 GLN 50 2HE2 GLN 50 1.095 3.515 -5.921 328 H CYS 51 H CYS 51 -3.172 2.535 -1.513 329 HA CYS 51 HA CYS 51 -2.974 0.462 0.323 330 HB2 CYS 51 1HB CYS 51 -4.877 -0.436 -0.664 331 HB3 CYS 51 2HB CYS 51 -4.978 1.256 -1.141 332 HA PRO 52 HA PRO 52 -0.147 -2.470 -1.310 333 HB2 PRO 52 1HB PRO 52 -1.299 -4.811 -0.559 334 HB3 PRO 52 2HB PRO 52 -0.518 -3.714 0.586 335 HG2 PRO 52 1HG PRO 52 -3.427 -4.042 -0.040 336 HG3 PRO 52 2HG PRO 52 -2.636 -3.851 1.535 337 HD2 PRO 52 1HD PRO 52 -3.870 -1.801 0.267 338 HD3 PRO 52 2HD PRO 52 -2.451 -1.565 1.307 339 H GLU 53 H GLU 53 -3.248 -2.136 -2.549 340 HA GLU 53 HA GLU 53 -2.958 -4.283 -4.509 341 HB2 GLU 53 1HB GLU 53 -5.238 -2.324 -4.222 342 HB3 GLU 53 2HB GLU 53 -5.234 -3.826 -5.136 343 HG2 GLU 53 1HG GLU 53 -4.673 -3.981 -2.231 344 HG3 GLU 53 2HG GLU 53 -6.326 -3.633 -2.736 345 H CYS 54 H CYS 54 -2.455 -0.916 -4.172 346 HA CYS 54 HA CYS 54 -2.215 -0.615 -7.094 347 HB2 CYS 54 1HB CYS 54 -2.763 1.434 -4.943 348 HB3 CYS 54 2HB CYS 54 -2.353 1.862 -6.601 349 H LYS 55 H LYS 55 -0.589 -0.404 -4.040 350 HA LYS 55 HA LYS 55 1.610 1.165 -4.637 351 HB2 LYS 55 1HB LYS 55 1.467 0.518 -2.410 352 HB3 LYS 55 2HB LYS 55 1.185 -1.171 -2.812 353 HG2 LYS 55 1HG LYS 55 3.488 -1.473 -3.413 354 HG3 LYS 55 2HG LYS 55 3.807 0.252 -3.213 355 HD2 LYS 55 1HD LYS 55 4.584 -0.609 -1.215 356 HD3 LYS 55 2HD LYS 55 2.934 -0.147 -0.790 357 HE2 LYS 55 1HE LYS 55 2.475 -2.646 -1.616 358 HE3 LYS 55 2HE LYS 55 4.146 -2.834 -1.086 359 HZ1 LYS 55 3HZ LYS 55 2.660 -3.330 0.717 360 HZ2 LYS 55 1HZ LYS 55 1.880 -1.838 0.554 361 HZ3 LYS 55 2HZ LYS 55 3.489 -1.899 1.072 362 H VAL 56 H VAL 56 3.514 0.880 -5.693 363 HA VAL 56 HA VAL 56 4.182 -1.753 -6.764 364 HB VAL 56 HB VAL 56 4.474 -0.978 -9.023 365 HG11 VAL 56 1HG1 VAL 56 1.781 0.128 -8.453 366 HG12 VAL 56 2HG1 VAL 56 2.286 -1.071 -9.645 367 HG13 VAL 56 3HG1 VAL 56 2.107 -1.531 -7.951 368 HG21 VAL 56 3HG2 VAL 56 3.406 1.424 -9.435 369 HG22 VAL 56 1HG2 VAL 56 4.001 1.678 -7.794 370 HG23 VAL 56 2HG2 VAL 56 5.118 1.204 -9.073 371 H CYS 57 H CYS 57 6.339 -1.512 -8.077 372 HA CYS 57 HA CYS 57 8.283 -0.535 -6.251 373 HB2 CYS 57 1HB CYS 57 8.688 -2.501 -7.664 374 HB3 CYS 57 2HB CYS 57 8.612 -1.490 -9.103 375 H GLN 58 H GLN 58 9.813 1.126 -6.533 376 HA GLN 58 HA GLN 58 8.870 3.302 -8.268 377 HB2 GLN 58 1HB GLN 58 10.601 3.386 -5.792 378 HB3 GLN 58 2HB GLN 58 10.165 4.789 -6.759 379 HG2 GLN 58 1HG GLN 58 8.180 3.000 -5.377 380 HG3 GLN 58 2HG GLN 58 8.809 4.503 -4.704 381 HE21 GLN 58 1HE2 GLN 58 7.084 3.166 -7.476 382 HE22 GLN 58 2HE2 GLN 58 6.148 4.580 -7.804 383 H ASN 59 H ASN 59 11.476 1.136 -7.706 384 HA ASN 59 HA ASN 59 13.518 2.664 -8.993 385 HB2 ASN 59 1HB ASN 59 13.255 -0.216 -8.165 386 HB3 ASN 59 2HB ASN 59 14.629 0.326 -9.125 387 HD21 ASN 59 1HD2 ASN 59 13.496 -0.154 -6.059 388 HD22 ASN 59 2HD2 ASN 59 14.619 0.830 -5.189 389 H CYS 60 H CYS 60 11.483 -0.073 -10.004 390 HA CYS 60 HA CYS 60 12.311 0.396 -12.782 391 HB2 CYS 60 1HB CYS 60 11.553 -1.826 -13.272 392 HB3 CYS 60 2HB CYS 60 12.537 -1.909 -11.815 393 H LYS 61 H LYS 61 9.791 1.002 -10.636 394 HA LYS 61 HA LYS 61 7.670 1.793 -10.860 395 HB2 LYS 61 1HB LYS 61 8.741 2.512 -13.592 396 HB3 LYS 61 2HB LYS 61 7.188 3.059 -12.973 397 HG2 LYS 61 1HG LYS 61 9.780 3.602 -11.556 398 HG3 LYS 61 2HG LYS 61 9.110 4.681 -12.781 399 HD2 LYS 61 1HD LYS 61 7.335 3.821 -10.557 400 HD3 LYS 61 2HD LYS 61 8.599 5.000 -10.198 401 HE2 LYS 61 1HE LYS 61 6.912 6.414 -10.806 402 HE3 LYS 61 2HE LYS 61 7.659 6.149 -12.380 403 HZ1 LYS 61 3HZ LYS 61 5.866 5.073 -13.130 404 HZ2 LYS 61 1HZ LYS 61 5.048 5.797 -11.838 405 HZ3 LYS 61 2HZ LYS 61 5.632 4.217 -11.690 406 H GLN 62 H GLN 62 7.586 -0.820 -10.982 407 HA GLN 62 HA GLN 62 5.433 -1.345 -12.838 408 HB2 GLN 62 1HB GLN 62 7.962 -3.000 -12.905 409 HB3 GLN 62 2HB GLN 62 6.467 -3.399 -13.741 410 HG2 GLN 62 1HG GLN 62 8.195 -0.986 -14.240 411 HG3 GLN 62 2HG GLN 62 8.073 -2.417 -15.262 412 HE21 GLN 62 1HE2 GLN 62 7.544 0.358 -15.923 413 HE22 GLN 62 2HE2 GLN 62 5.903 0.427 -16.457 414 H SER 63 H SER 63 4.315 -3.363 -12.374 415 HA SER 63 HA SER 63 4.714 -4.197 -9.577 416 HB2 SER 63 1HB SER 63 2.368 -4.522 -9.373 417 HB3 SER 63 2HB SER 63 2.562 -2.974 -10.195 418 HG SER 63 HG SER 63 2.179 -4.075 -12.170 419 H GLY 64 H GLY 64 5.432 -6.197 -9.303 420 HA2 GLY 64 1HA GLY 64 4.431 -8.351 -10.985 421 HA3 GLY 64 2HA GLY 64 6.159 -8.048 -11.082 422 H GLU 65 H GLU 65 7.363 -9.273 -9.807 423 HA GLU 65 HA GLU 65 6.459 -11.169 -8.050 424 HB2 GLU 65 1HB GLU 65 9.064 -9.757 -8.379 425 HB3 GLU 65 2HB GLU 65 8.841 -10.753 -6.948 426 HG2 GLU 65 1HG GLU 65 8.791 -12.697 -8.131 427 HG3 GLU 65 2HG GLU 65 8.147 -11.929 -9.581 428 H ASP 66 H ASP 66 5.140 -10.848 -6.381 429 HA ASP 66 HA ASP 66 5.382 -8.460 -4.739 430 HB2 ASP 66 1HB ASP 66 3.344 -9.440 -3.587 431 HB3 ASP 66 2HB ASP 66 3.139 -9.024 -5.287 432 H SER 67 H SER 67 5.426 -11.988 -4.271 433 HA SER 67 HA SER 67 5.923 -12.115 -1.574 434 HB2 SER 67 1HB SER 67 6.840 -13.858 -3.851 435 HB3 SER 67 2HB SER 67 7.280 -14.231 -2.184 436 HG SER 67 HG SER 67 4.635 -13.910 -3.169 437 H LYS 68 H LYS 68 8.276 -11.653 -4.182 438 HA LYS 68 HA LYS 68 10.402 -11.254 -2.214 439 HB2 LYS 68 1HB LYS 68 10.496 -11.436 -5.230 440 HB3 LYS 68 2HB LYS 68 11.901 -11.218 -4.196 441 HG2 LYS 68 1HG LYS 68 11.589 -13.371 -3.205 442 HG3 LYS 68 2HG LYS 68 10.043 -13.579 -4.031 443 HD2 LYS 68 1HD LYS 68 12.460 -13.063 -5.686 444 HD3 LYS 68 2HD LYS 68 12.278 -14.660 -4.956 445 HE2 LYS 68 1HE LYS 68 9.978 -13.442 -6.417 446 HE3 LYS 68 2HE LYS 68 11.302 -14.156 -7.336 447 HZ1 LYS 68 3HZ LYS 68 10.945 -16.242 -6.248 448 HZ2 LYS 68 1HZ LYS 68 9.466 -15.715 -6.877 449 HZ3 LYS 68 2HZ LYS 68 9.778 -15.576 -5.221 450 H MET 69 H MET 69 8.365 -9.296 -2.306 451 HA MET 69 HA MET 69 9.838 -7.000 -3.421 452 HB2 MET 69 1HB MET 69 7.394 -7.713 -4.230 453 HB3 MET 69 2HB MET 69 6.934 -6.757 -2.827 454 HG2 MET 69 1HG MET 69 7.843 -4.801 -3.712 455 HG3 MET 69 2HG MET 69 8.808 -5.679 -4.896 456 HE1 MET 69 3HE MET 69 6.833 -3.091 -5.845 457 HE2 MET 69 1HE MET 69 5.128 -3.536 -5.749 458 HE3 MET 69 2HE MET 69 6.115 -3.506 -4.287 459 H LEU 70 H LEU 70 10.922 -6.127 -1.763 460 HA LEU 70 HA LEU 70 10.124 -6.248 0.940 461 HB2 LEU 70 1HB LEU 70 12.073 -4.447 -0.483 462 HB3 LEU 70 2HB LEU 70 11.869 -4.479 1.267 463 HG LEU 70 HG LEU 70 12.719 -6.865 -0.368 464 HD11 LEU 70 1HD1 LEU 70 14.288 -4.835 -0.373 465 HD12 LEU 70 2HD1 LEU 70 14.951 -6.396 0.107 466 HD13 LEU 70 3HD1 LEU 70 14.538 -5.199 1.335 467 HD21 LEU 70 3HD2 LEU 70 11.621 -7.173 1.903 468 HD22 LEU 70 1HD2 LEU 70 13.047 -6.387 2.581 469 HD23 LEU 70 2HD2 LEU 70 13.215 -7.899 1.687 470 H VAL 71 H VAL 71 8.811 -5.006 2.122 471 HA VAL 71 HA VAL 71 7.736 -2.563 0.872 472 HB VAL 71 HB VAL 71 6.416 -4.394 2.880 473 HG11 VAL 71 1HG1 VAL 71 5.324 -1.927 1.530 474 HG12 VAL 71 2HG1 VAL 71 4.457 -2.980 2.650 475 HG13 VAL 71 3HG1 VAL 71 5.830 -2.028 3.216 476 HG21 VAL 71 3HG2 VAL 71 5.165 -3.892 0.268 477 HG22 VAL 71 1HG2 VAL 71 6.668 -4.814 0.215 478 HG23 VAL 71 2HG2 VAL 71 5.314 -5.389 1.188 479 H CYS 72 H CYS 72 8.639 -0.814 1.734 480 HA CYS 72 HA CYS 72 10.056 -0.628 4.095 481 HB2 CYS 72 1HB CYS 72 9.888 1.066 2.183 482 HB3 CYS 72 2HB CYS 72 8.440 1.664 2.988 483 H ASP 73 H ASP 73 9.526 0.562 6.081 484 HA ASP 73 HA ASP 73 6.828 -0.143 7.000 485 HB2 ASP 73 1HB ASP 73 9.109 -0.882 8.130 486 HB3 ASP 73 2HB ASP 73 8.980 0.703 8.888 487 H THR 74 H THR 74 9.105 2.516 6.753 488 HA THR 74 HA THR 74 7.488 4.377 8.211 489 HB THR 74 HB THR 74 9.848 4.794 6.372 490 HG1 THR 74 HG1 THR 74 9.480 4.485 9.141 491 HG21 THR 74 3HG2 THR 74 9.344 6.980 8.169 492 HG22 THR 74 1HG2 THR 74 7.934 6.699 7.148 493 HG23 THR 74 2HG2 THR 74 9.510 6.997 6.414 494 H CYS 75 H CYS 75 8.540 4.570 4.812 495 HA CYS 75 HA CYS 75 6.260 6.176 4.123 496 HB2 CYS 75 1HB CYS 75 7.229 6.335 1.945 497 HB3 CYS 75 2HB CYS 75 8.554 6.416 3.101 498 H ASP 76 H ASP 76 7.189 2.821 3.810 499 HA ASP 76 HA ASP 76 5.967 0.964 3.302 500 HB2 ASP 76 1HB ASP 76 4.144 2.283 4.541 501 HB3 ASP 76 2HB ASP 76 3.535 2.707 2.944 502 H LYS 77 H LYS 77 7.454 1.808 1.322 503 HA LYS 77 HA LYS 77 5.724 1.870 -1.061 504 HB2 LYS 77 1HB LYS 77 8.470 2.974 -0.537 505 HB3 LYS 77 2HB LYS 77 7.928 2.654 -2.179 506 HG2 LYS 77 1HG LYS 77 5.849 4.080 -1.395 507 HG3 LYS 77 2HG LYS 77 7.029 4.721 -0.249 508 HD2 LYS 77 1HD LYS 77 8.529 4.965 -2.373 509 HD3 LYS 77 2HD LYS 77 6.990 4.892 -3.233 510 HE2 LYS 77 1HE LYS 77 7.341 6.758 -0.921 511 HE3 LYS 77 2HE LYS 77 7.959 7.195 -2.513 512 HZ1 LYS 77 3HZ LYS 77 5.282 7.235 -1.551 513 HZ2 LYS 77 1HZ LYS 77 5.403 6.299 -2.956 514 HZ3 LYS 77 2HZ LYS 77 5.922 7.909 -2.965 515 H GLY 78 H GLY 78 5.972 0.356 -2.646 516 HA2 GLY 78 1HA GLY 78 7.220 -2.107 -1.931 517 HA3 GLY 78 2HA GLY 78 6.448 -1.742 -3.467 518 H TYR 79 H TYR 79 9.107 -3.001 -2.545 519 HA TYR 79 HA TYR 79 10.688 -1.756 -4.650 520 HB2 TYR 79 1HB TYR 79 11.725 -2.090 -1.827 521 HB3 TYR 79 2HB TYR 79 12.692 -1.605 -3.215 522 HD1 TYR 79 HD2 TYR 79 11.953 0.547 -4.448 523 HD2 TYR 79 HD1 TYR 79 10.675 -0.474 -0.520 524 HE1 TYR 79 HE2 TYR 79 11.385 2.903 -4.027 525 HE2 TYR 79 HE1 TYR 79 10.102 1.879 -0.088 526 HH TYR 79 HH TYR 79 10.416 4.020 -0.849 527 H HIS 80 H HIS 80 11.182 -3.393 -5.939 528 HA HIS 80 HA HIS 80 11.167 -6.108 -5.124 529 HB2 HIS 80 1HB HIS 80 12.295 -4.850 -7.634 530 HB3 HIS 80 2HB HIS 80 12.018 -6.573 -7.396 531 HD2 HIS 80 HD2 HIS 80 9.024 -6.809 -6.523 532 HE1 HIS 80 HE1 HIS 80 8.088 -4.052 -9.608 533 HE2 HIS 80 HE2 HIS 80 7.171 -5.732 -7.971 534 H THR 81 H THR 81 12.883 -7.581 -4.948 535 HA THR 81 HA THR 81 15.174 -6.611 -3.612 536 HB THR 81 HB THR 81 16.017 -8.998 -3.897 537 HG1 THR 81 HG1 THR 81 14.003 -10.343 -4.507 538 HG21 THR 81 3HG2 THR 81 14.057 -7.910 -2.229 539 HG22 THR 81 1HG2 THR 81 14.992 -9.379 -1.953 540 HG23 THR 81 2HG2 THR 81 13.416 -9.472 -2.739 541 H PHE 82 H PHE 82 14.769 -8.037 -6.849 542 HA PHE 82 HA PHE 82 17.488 -7.719 -7.595 543 HB2 PHE 82 1HB PHE 82 16.347 -7.902 -9.981 544 HB3 PHE 82 2HB PHE 82 16.474 -9.300 -8.918 545 HD1 PHE 82 HD1 PHE 82 14.518 -10.161 -7.754 546 HD2 PHE 82 HD2 PHE 82 14.229 -6.873 -10.442 547 HE1 PHE 82 HE1 PHE 82 12.076 -10.449 -7.838 548 HE2 PHE 82 HE2 PHE 82 11.787 -7.155 -10.529 549 HZ PHE 82 HZ PHE 82 10.707 -8.944 -9.226 550 H CYS 83 H CYS 83 15.232 -5.427 -6.978 551 HA CYS 83 HA CYS 83 16.122 -3.593 -9.084 552 HB2 CYS 83 1HB CYS 83 13.778 -3.663 -7.226 553 HB3 CYS 83 2HB CYS 83 14.315 -2.111 -7.860 554 H LEU 84 H LEU 84 16.734 -4.396 -5.857 555 HA LEU 84 HA LEU 84 17.634 -1.739 -5.091 556 HB2 LEU 84 1HB LEU 84 17.707 -4.373 -3.627 557 HB3 LEU 84 2HB LEU 84 18.229 -2.831 -2.952 558 HG LEU 84 HG LEU 84 15.413 -3.437 -3.848 559 HD11 LEU 84 1HD1 LEU 84 16.813 -3.811 -1.254 560 HD12 LEU 84 2HD1 LEU 84 15.537 -4.770 -2.001 561 HD13 LEU 84 3HD1 LEU 84 15.148 -3.232 -1.233 562 HD21 LEU 84 3HD2 LEU 84 16.616 -1.008 -3.535 563 HD22 LEU 84 1HD2 LEU 84 15.933 -1.286 -1.933 564 HD23 LEU 84 2HD2 LEU 84 14.888 -1.316 -3.353 565 H GLN 85 H GLN 85 19.741 -1.120 -4.828 566 HA GLN 85 HA GLN 85 21.785 -3.023 -5.769 567 HB2 GLN 85 1HB GLN 85 21.445 -1.269 -7.411 568 HB3 GLN 85 2HB GLN 85 21.645 -0.032 -6.177 569 HG2 GLN 85 1HG GLN 85 23.967 -0.735 -5.858 570 HG3 GLN 85 2HG GLN 85 23.763 -1.953 -7.115 571 HE21 GLN 85 1HE2 GLN 85 25.455 0.538 -6.808 572 HE22 GLN 85 2HE2 GLN 85 25.201 1.402 -8.282 573 HA PRO 86 HA PRO 86 23.156 -4.190 -5.203 574 HB2 PRO 86 1HB PRO 86 23.501 -5.996 -3.205 575 HB3 PRO 86 2HB PRO 86 24.820 -5.011 -3.848 576 HG2 PRO 86 1HG PRO 86 23.186 -4.606 -1.373 577 HG3 PRO 86 2HG PRO 86 24.935 -4.426 -1.601 578 HD2 PRO 86 1HD PRO 86 23.246 -2.310 -1.562 579 HD3 PRO 86 2HD PRO 86 24.724 -2.334 -2.545 580 H VAL 87 H VAL 87 22.012 -6.389 -5.067 581 HA VAL 87 HA VAL 87 19.211 -5.878 -4.437 582 HB VAL 87 HB VAL 87 19.187 -6.794 -6.519 583 HG11 VAL 87 1HG1 VAL 87 21.635 -8.351 -5.716 584 HG12 VAL 87 2HG1 VAL 87 20.802 -8.584 -7.254 585 HG13 VAL 87 3HG1 VAL 87 21.522 -7.021 -6.868 586 HG21 VAL 87 3HG2 VAL 87 19.367 -9.358 -4.944 587 HG22 VAL 87 1HG2 VAL 87 17.951 -8.306 -4.959 588 HG23 VAL 87 2HG2 VAL 87 18.490 -9.082 -6.448 589 H MET 88 H MET 88 18.059 -6.930 -2.910 590 HA MET 88 HA MET 88 19.485 -8.363 -0.882 591 HB2 MET 88 1HB MET 88 16.596 -7.612 -1.266 592 HB3 MET 88 2HB MET 88 17.109 -8.637 0.067 593 HG2 MET 88 1HG MET 88 18.524 -6.062 -0.341 594 HG3 MET 88 2HG MET 88 16.890 -6.025 0.318 595 HE1 MET 88 3HE MET 88 16.423 -7.122 3.106 596 HE2 MET 88 1HE MET 88 17.592 -5.998 3.800 597 HE3 MET 88 2HE MET 88 16.664 -5.535 2.374 598 H LYS 89 H LYS 89 19.344 -10.514 -0.320 599 HA LYS 89 HA LYS 89 18.563 -12.308 -2.466 600 HB2 LYS 89 1HB LYS 89 20.042 -12.692 0.131 601 HB3 LYS 89 2HB LYS 89 19.552 -14.050 -0.873 602 HG2 LYS 89 1HG LYS 89 21.082 -11.850 -2.150 603 HG3 LYS 89 2HG LYS 89 21.941 -12.959 -1.079 604 HD2 LYS 89 1HD LYS 89 22.175 -14.098 -3.039 605 HD3 LYS 89 2HD LYS 89 20.624 -14.761 -2.518 606 HE2 LYS 89 1HE LYS 89 19.442 -13.591 -4.089 607 HE3 LYS 89 2HE LYS 89 20.610 -12.272 -4.143 608 HZ1 LYS 89 3HZ LYS 89 20.382 -14.094 -6.055 609 HZ2 LYS 89 1HZ LYS 89 21.551 -14.852 -5.094 610 HZ3 LYS 89 2HZ LYS 89 21.836 -13.301 -5.707 611 H SER 90 H SER 90 17.622 -11.542 0.837 612 HA SER 90 HA SER 90 15.119 -12.992 0.408 613 HB2 SER 90 1HB SER 90 16.967 -13.411 2.765 614 HB3 SER 90 2HB SER 90 15.278 -13.918 2.751 615 HG SER 90 HG SER 90 16.140 -14.921 0.587 616 H VAL 91 H VAL 91 13.565 -12.520 2.283 617 HA VAL 91 HA VAL 91 13.652 -9.637 2.769 618 HB VAL 91 HB VAL 91 11.380 -11.600 3.109 619 HG11 VAL 91 1HG1 VAL 91 10.338 -10.034 4.285 620 HG12 VAL 91 2HG1 VAL 91 11.741 -8.972 4.150 621 HG13 VAL 91 3HG1 VAL 91 10.477 -8.926 2.920 622 HG21 VAL 91 3HG2 VAL 91 11.173 -9.465 1.112 623 HG22 VAL 91 1HG2 VAL 91 12.418 -10.666 0.770 624 HG23 VAL 91 2HG2 VAL 91 10.744 -11.172 0.998 625 HA PRO 92 HA PRO 92 14.906 -10.508 6.965 626 HB2 PRO 92 1HB PRO 92 15.003 -7.912 7.753 627 HB3 PRO 92 2HB PRO 92 16.270 -8.669 6.779 628 HG2 PRO 92 1HG PRO 92 14.005 -6.914 5.911 629 HG3 PRO 92 2HG PRO 92 15.701 -6.889 5.395 630 HD2 PRO 92 1HD PRO 92 13.745 -8.032 3.912 631 HD3 PRO 92 2HD PRO 92 15.412 -8.642 3.926 632 H THR 93 H THR 93 13.551 -11.158 8.502 633 HA THR 93 HA THR 93 10.908 -9.949 8.721 634 HB THR 93 HB THR 93 10.395 -11.812 10.252 635 HG1 THR 93 HG1 THR 93 12.661 -13.250 9.703 636 HG21 THR 93 3HG2 THR 93 10.498 -13.609 8.614 637 HG22 THR 93 1HG2 THR 93 11.727 -12.735 7.702 638 HG23 THR 93 2HG2 THR 93 10.090 -12.088 7.821 639 H ASN 94 H ASN 94 12.981 -8.267 9.549 640 HA ASN 94 HA ASN 94 12.445 -8.118 12.440 641 HB2 ASN 94 1HB ASN 94 15.046 -7.345 11.102 642 HB3 ASN 94 2HB ASN 94 14.695 -7.289 12.827 643 HD21 ASN 94 1HD2 ASN 94 16.278 -8.688 13.447 644 HD22 ASN 94 2HD2 ASN 94 16.272 -10.370 13.051 645 H GLY 95 H GLY 95 13.748 -6.181 9.735 646 HA2 GLY 95 1HA GLY 95 11.768 -4.233 9.730 647 HA3 GLY 95 2HA GLY 95 12.990 -3.694 10.873 648 H TRP 96 H TRP 96 12.048 -3.740 7.650 649 HA TRP 96 HA TRP 96 14.760 -3.074 6.724 650 HB2 TRP 96 1HB TRP 96 13.643 -4.911 5.514 651 HB3 TRP 96 2HB TRP 96 12.319 -3.826 5.102 652 HD1 TRP 96 HD1 TRP 96 16.047 -4.398 4.327 653 HE1 TRP 96 HE1 TRP 96 16.583 -3.284 2.069 654 HE3 TRP 96 HE3 TRP 96 11.573 -2.072 3.488 655 HZ2 TRP 96 HZ2 TRP 96 15.281 -1.636 0.183 656 HZ3 TRP 96 HZ3 TRP 96 11.300 -0.745 1.434 657 HH2 TRP 96 HH2 TRP 96 13.117 -0.532 -0.183 658 H LYS 97 H LYS 97 15.193 -1.133 5.759 659 HA LYS 97 HA LYS 97 12.982 0.803 5.589 660 HB2 LYS 97 1HB LYS 97 14.735 0.968 7.575 661 HB3 LYS 97 2HB LYS 97 15.712 1.747 6.338 662 HG2 LYS 97 1HG LYS 97 13.697 3.258 5.939 663 HG3 LYS 97 2HG LYS 97 13.075 2.624 7.464 664 HD2 LYS 97 1HD LYS 97 15.818 3.835 7.211 665 HD3 LYS 97 2HD LYS 97 14.385 4.796 7.585 666 HE2 LYS 97 1HE LYS 97 15.251 2.392 9.181 667 HE3 LYS 97 2HE LYS 97 15.722 4.044 9.574 668 HZ1 LYS 97 3HZ LYS 97 13.439 4.629 9.899 669 HZ2 LYS 97 1HZ LYS 97 13.768 3.252 10.825 670 HZ3 LYS 97 2HZ LYS 97 12.912 3.110 9.373 671 H CYS 98 H CYS 98 12.829 1.821 3.697 672 HA CYS 98 HA CYS 98 14.669 1.227 1.589 673 HB2 CYS 98 1HB CYS 98 13.125 2.192 0.158 674 HB3 CYS 98 2HB CYS 98 12.093 1.687 1.492 675 H LYS 99 H LYS 99 16.016 2.640 0.462 676 HA LYS 99 HA LYS 99 17.638 4.328 1.842 677 HB2 LYS 99 1HB LYS 99 18.208 3.607 -0.386 678 HB3 LYS 99 2HB LYS 99 16.845 4.483 -1.069 679 HG2 LYS 99 1HG LYS 99 18.808 5.735 -1.529 680 HG3 LYS 99 2HG LYS 99 17.911 6.600 -0.278 681 HD2 LYS 99 1HD LYS 99 19.380 5.629 1.432 682 HD3 LYS 99 2HD LYS 99 20.283 4.786 0.170 683 HE2 LYS 99 1HE LYS 99 20.484 7.235 -0.811 684 HE3 LYS 99 2HE LYS 99 20.236 7.675 0.878 685 HZ1 LYS 99 3HZ LYS 99 22.496 6.314 -0.376 686 HZ2 LYS 99 1HZ LYS 99 22.089 5.848 1.199 687 HZ3 LYS 99 2HZ LYS 99 22.480 7.460 0.868 688 H ASN 100 H ASN 100 15.083 5.531 -0.344 689 HA ASN 100 HA ASN 100 15.114 8.170 0.144 690 HB2 ASN 100 1HB ASN 100 12.504 6.656 0.208 691 HB3 ASN 100 2HB ASN 100 12.802 8.277 -0.415 692 HD21 ASN 100 1HD2 ASN 100 13.307 4.862 -0.968 693 HD22 ASN 100 2HD2 ASN 100 13.616 4.986 -2.663 694 H CYS 101 H CYS 101 14.218 5.715 2.423 695 HA CYS 101 HA CYS 101 13.203 7.682 4.329 696 HB2 CYS 101 1HB CYS 101 13.173 4.693 4.166 697 HB3 CYS 101 2HB CYS 101 12.980 5.469 5.735 698 H ARG 102 H ARG 102 15.771 5.243 4.067 699 HA ARG 102 HA ARG 102 17.008 5.362 6.459 700 HB2 ARG 102 1HB ARG 102 18.454 5.528 3.809 701 HB3 ARG 102 2HB ARG 102 19.130 4.947 5.325 702 HG2 ARG 102 1HG ARG 102 17.308 3.177 5.282 703 HG3 ARG 102 2HG ARG 102 17.033 3.663 3.608 704 HD2 ARG 102 1HD ARG 102 18.521 1.868 3.447 705 HD3 ARG 102 2HD ARG 102 19.545 3.295 3.285 706 HE ARG 102 HE ARG 102 19.287 2.211 5.964 707 HH11 ARG 102 2HH1 ARG 102 21.133 2.345 3.015 708 HH12 ARG 102 1HH1 ARG 102 22.601 1.800 3.755 709 HH21 ARG 102 2HH2 ARG 102 21.215 1.493 6.950 710 HH22 ARG 102 1HH2 ARG 102 22.646 1.315 5.994 711 H ILE 103 H ILE 103 17.283 7.796 3.901 712 HA ILE 103 HA ILE 103 19.203 9.472 4.618 713 HB ILE 103 HB ILE 103 16.356 10.274 4.030 714 HG12 ILE 103 1HG1 ILE 103 17.758 10.963 1.852 715 HG13 ILE 103 2HG1 ILE 103 18.780 9.649 2.424 716 HG21 ILE 103 1HG2 ILE 103 18.795 12.042 3.964 717 HG22 ILE 103 2HG2 ILE 103 17.133 12.507 3.603 718 HG23 ILE 103 3HG2 ILE 103 17.585 12.055 5.247 719 HD11 ILE 103 3HD1 ILE 103 16.202 8.638 2.567 720 HD12 ILE 103 1HD1 ILE 103 16.244 9.554 1.061 721 HD13 ILE 103 2HD1 ILE 103 17.422 8.273 1.348 722 H CYS 104 H CYS 104 19.913 10.486 6.374 723 HA CYS 104 HA CYS 104 18.402 10.376 8.819 724 HB2 CYS 104 1HB CYS 104 21.134 11.432 8.107 725 HB3 CYS 104 2HB CYS 104 20.446 11.635 9.714 726 HG CYS 104 HG CYS 104 20.103 8.778 9.996 727 H ILE 105 H ILE 105 18.622 12.505 10.232 728 HA ILE 105 HA ILE 105 17.813 14.592 10.639 729 HB ILE 105 HB ILE 105 18.543 15.228 7.781 730 HG12 ILE 105 1HG1 ILE 105 20.515 14.303 8.741 731 HG13 ILE 105 2HG1 ILE 105 20.704 16.051 8.830 732 HG21 ILE 105 1HG2 ILE 105 17.233 16.753 9.642 733 HG22 ILE 105 2HG2 ILE 105 18.910 17.256 9.847 734 HG23 ILE 105 3HG2 ILE 105 18.141 17.375 8.264 735 HD11 ILE 105 3HD1 ILE 105 19.657 15.685 11.222 736 HD12 ILE 105 1HD1 ILE 105 20.321 14.067 10.997 737 HD13 ILE 105 2HD1 ILE 105 21.381 15.474 10.918 738 H SER 106 H SER 106 15.838 12.888 10.224 739 HA SER 106 HA SER 106 13.860 14.497 8.796 740 HB2 SER 106 1HB SER 106 12.896 12.538 7.688 741 HB3 SER 106 2HB SER 106 14.578 12.751 7.202 742 HG SER 106 HG SER 106 13.403 10.674 8.499 743 H GLY 107 H GLY 107 11.586 13.471 9.209 744 HA2 GLY 107 1HA GLY 107 9.974 12.792 10.708 745 HA3 GLY 107 2HA GLY 107 11.237 11.965 11.606 746 HA PRO 108 HA PRO 108 9.654 15.755 13.923 747 HB2 PRO 108 1HB PRO 108 8.613 14.419 16.045 748 HB3 PRO 108 2HB PRO 108 7.678 14.792 14.592 749 HG2 PRO 108 1HG PRO 108 9.033 12.238 15.368 750 HG3 PRO 108 2HG PRO 108 7.429 12.481 14.652 751 HD2 PRO 108 1HD PRO 108 9.579 11.723 13.190 752 HD3 PRO 108 2HD PRO 108 8.280 12.734 12.524 753 H SER 109 H SER 109 11.848 13.252 14.235 754 HA SER 109 HA SER 109 12.769 13.562 16.878 755 HB2 SER 109 1HB SER 109 14.038 12.522 14.354 756 HB3 SER 109 2HB SER 109 14.957 12.634 15.855 757 HG SER 109 HG SER 109 13.252 11.351 16.817 758 H SER 110 H SER 110 14.218 14.802 13.861 759 HA SER 110 HA SER 110 15.421 16.973 15.448 760 HB2 SER 110 1HB SER 110 16.405 15.412 13.094 761 HB3 SER 110 2HB SER 110 16.942 17.081 13.290 762 HG SER 110 HG SER 110 17.243 14.949 15.137 763 H GLY 111 H GLY 111 15.078 19.060 14.874 764 HA2 GLY 111 1HA GLY 111 13.795 19.644 12.310 765 HA3 GLY 111 2HA GLY 111 12.915 20.074 13.770 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -36.140 -2.131 4.361 2 HA2 GLY 1 1HA GLY 1 -34.733 -2.102 2.260 3 HA3 GLY 1 2HA GLY 1 -36.022 -1.112 1.591 4 H SER 2 H SER 2 -33.013 -0.856 2.574 5 HA SER 2 HA SER 2 -33.420 1.832 3.705 6 HB2 SER 2 1HB SER 2 -32.626 0.517 5.531 7 HB3 SER 2 2HB SER 2 -31.403 -0.261 4.527 8 HG SER 2 HG SER 2 -31.307 2.513 4.720 9 H SER 3 H SER 3 -32.838 3.238 2.192 10 HA SER 3 HA SER 3 -31.498 2.922 -0.112 11 HB2 SER 3 1HB SER 3 -30.914 5.282 -0.060 12 HB3 SER 3 2HB SER 3 -32.508 5.061 0.661 13 HG SER 3 HG SER 3 -31.649 5.367 2.663 14 H GLY 4 H GLY 4 -29.324 3.325 -0.852 15 HA2 GLY 4 1HA GLY 4 -26.989 3.470 -0.559 16 HA3 GLY 4 2HA GLY 4 -27.205 3.129 1.151 17 H SER 5 H SER 5 -26.188 1.883 -1.763 18 HA SER 5 HA SER 5 -26.438 -0.878 -0.762 19 HB2 SER 5 1HB SER 5 -26.241 -1.560 -3.188 20 HB3 SER 5 2HB SER 5 -27.732 -0.715 -2.772 21 HG SER 5 HG SER 5 -27.199 0.794 -4.123 22 H SER 6 H SER 6 -24.400 1.385 -2.572 23 HA SER 6 HA SER 6 -22.048 -0.109 -1.634 24 HB2 SER 6 1HB SER 6 -20.953 0.139 -3.778 25 HB3 SER 6 2HB SER 6 -22.515 -0.639 -4.033 26 HG SER 6 HG SER 6 -22.200 2.158 -4.257 27 H GLY 7 H GLY 7 -20.914 1.189 -0.360 28 HA2 GLY 7 1HA GLY 7 -20.607 4.012 -1.163 29 HA3 GLY 7 2HA GLY 7 -20.978 3.584 0.500 30 H ALA 8 H ALA 8 -18.851 5.057 0.333 31 HA ALA 8 HA ALA 8 -16.429 3.619 -0.184 32 HB1 ALA 8 3HB ALA 8 -16.471 6.013 -0.466 33 HB2 ALA 8 1HB ALA 8 -16.914 6.240 1.226 34 HB3 ALA 8 2HB ALA 8 -15.325 5.597 0.808 35 H ASN 9 H ASN 9 -16.354 1.788 1.084 36 HA ASN 9 HA ASN 9 -16.020 2.270 3.967 37 HB2 ASN 9 1HB ASN 9 -17.645 0.164 2.583 38 HB3 ASN 9 2HB ASN 9 -16.929 -0.177 4.155 39 HD21 ASN 9 1HD2 ASN 9 -19.633 -0.223 3.823 40 HD22 ASN 9 2HD2 ASN 9 -20.349 1.111 4.656 41 H CYS 10 H CYS 10 -15.023 0.115 4.953 42 HA CYS 10 HA CYS 10 -12.413 -0.083 3.913 43 HB2 CYS 10 1HB CYS 10 -13.121 -0.470 6.308 44 HB3 CYS 10 2HB CYS 10 -13.724 -2.044 5.799 45 H ALA 11 H ALA 11 -11.366 -1.697 2.784 46 HA ALA 11 HA ALA 11 -13.107 -3.404 1.176 47 HB1 ALA 11 3HB ALA 11 -11.336 -3.579 -0.367 48 HB2 ALA 11 1HB ALA 11 -11.330 -1.899 0.172 49 HB3 ALA 11 2HB ALA 11 -10.145 -3.037 0.816 50 H VAL 12 H VAL 12 -11.747 -3.731 4.065 51 HA VAL 12 HA VAL 12 -10.973 -6.543 3.626 52 HB VAL 12 HB VAL 12 -10.093 -4.711 5.862 53 HG11 VAL 12 1HG1 VAL 12 -8.578 -6.553 6.464 54 HG12 VAL 12 2HG1 VAL 12 -10.276 -7.013 6.607 55 HG13 VAL 12 3HG1 VAL 12 -9.327 -7.557 5.223 56 HG21 VAL 12 3HG2 VAL 12 -8.346 -4.115 4.618 57 HG22 VAL 12 1HG2 VAL 12 -7.996 -5.793 4.204 58 HG23 VAL 12 2HG2 VAL 12 -9.150 -4.869 3.241 59 H CYS 13 H CYS 13 -12.477 -4.337 5.980 60 HA CYS 13 HA CYS 13 -13.894 -6.621 7.157 61 HB2 CYS 13 1HB CYS 13 -14.295 -5.245 9.075 62 HB3 CYS 13 2HB CYS 13 -12.601 -5.050 8.638 63 H ASP 14 H ASP 14 -14.343 -3.897 5.138 64 HA ASP 14 HA ASP 14 -16.154 -3.071 4.037 65 HB2 ASP 14 1HB ASP 14 -17.047 -5.790 4.841 66 HB3 ASP 14 2HB ASP 14 -18.293 -4.661 4.317 67 H SER 15 H SER 15 -15.671 -1.943 6.455 68 HA SER 15 HA SER 15 -18.369 -1.216 7.313 69 HB2 SER 15 1HB SER 15 -16.240 -2.394 9.057 70 HB3 SER 15 2HB SER 15 -17.314 -1.169 9.733 71 HG SER 15 HG SER 15 -17.808 -3.727 9.442 72 HA PRO 16 HA PRO 16 -16.763 2.870 7.167 73 HB2 PRO 16 1HB PRO 16 -18.426 4.103 8.923 74 HB3 PRO 16 2HB PRO 16 -18.941 3.584 7.314 75 HG2 PRO 16 1HG PRO 16 -19.343 2.237 9.957 76 HG3 PRO 16 2HG PRO 16 -20.491 2.446 8.622 77 HD2 PRO 16 1HD PRO 16 -19.159 0.128 9.047 78 HD3 PRO 16 2HD PRO 16 -19.613 0.684 7.423 79 H GLY 17 H GLY 17 -17.543 1.825 10.496 80 HA2 GLY 17 1HA GLY 17 -16.493 2.308 12.494 81 HA3 GLY 17 2HA GLY 17 -15.059 1.825 11.600 82 H ASP 18 H ASP 18 -13.494 3.234 12.006 83 HA ASP 18 HA ASP 18 -14.170 6.083 12.231 84 HB2 ASP 18 1HB ASP 18 -12.764 4.652 13.975 85 HB3 ASP 18 2HB ASP 18 -11.446 5.057 12.880 86 H LEU 19 H LEU 19 -14.137 6.959 10.241 87 HA LEU 19 HA LEU 19 -12.428 6.138 8.144 88 HB2 LEU 19 1HB LEU 19 -14.295 8.392 8.622 89 HB3 LEU 19 2HB LEU 19 -13.107 8.579 7.334 90 HG LEU 19 HG LEU 19 -15.306 7.784 6.535 91 HD11 LEU 19 1HD1 LEU 19 -13.560 7.255 5.094 92 HD12 LEU 19 2HD1 LEU 19 -14.359 5.705 5.357 93 HD13 LEU 19 3HD1 LEU 19 -12.863 6.081 6.211 94 HD21 LEU 19 3HD2 LEU 19 -15.184 5.063 7.240 95 HD22 LEU 19 1HD2 LEU 19 -16.410 6.248 7.693 96 HD23 LEU 19 2HD2 LEU 19 -15.013 5.981 8.737 97 H LEU 20 H LEU 20 -12.014 8.297 10.799 98 HA LEU 20 HA LEU 20 -9.981 9.948 9.753 99 HB2 LEU 20 1HB LEU 20 -10.562 9.105 12.586 100 HB3 LEU 20 2HB LEU 20 -9.411 10.362 12.137 101 HG LEU 20 HG LEU 20 -12.355 10.487 11.500 102 HD11 LEU 20 1HD1 LEU 20 -11.851 12.381 13.421 103 HD12 LEU 20 2HD1 LEU 20 -10.930 10.989 13.989 104 HD13 LEU 20 3HD1 LEU 20 -12.659 10.835 13.682 105 HD21 LEU 20 3HD2 LEU 20 -11.853 12.887 11.195 106 HD22 LEU 20 1HD2 LEU 20 -10.994 11.854 10.052 107 HD23 LEU 20 2HD2 LEU 20 -10.141 12.535 11.438 108 H ASP 21 H ASP 21 -9.970 6.715 11.023 109 HA ASP 21 HA ASP 21 -7.030 6.663 10.903 110 HB2 ASP 21 1HB ASP 21 -8.761 4.548 12.172 111 HB3 ASP 21 2HB ASP 21 -7.045 4.852 12.426 112 H GLN 22 H GLN 22 -8.778 6.532 8.581 113 HA GLN 22 HA GLN 22 -8.154 3.805 7.657 114 HB2 GLN 22 1HB GLN 22 -10.485 5.601 7.082 115 HB3 GLN 22 2HB GLN 22 -10.001 4.385 5.907 116 HG2 GLN 22 1HG GLN 22 -10.093 2.829 8.052 117 HG3 GLN 22 2HG GLN 22 -11.236 4.064 8.578 118 HE21 GLN 22 1HE2 GLN 22 -13.252 4.025 7.804 119 HE22 GLN 22 2HE2 GLN 22 -13.824 2.946 6.583 120 H PHE 23 H PHE 23 -6.896 3.584 5.903 121 HA PHE 23 HA PHE 23 -5.681 5.959 4.790 122 HB2 PHE 23 1HB PHE 23 -5.191 3.007 4.444 123 HB3 PHE 23 2HB PHE 23 -4.368 4.206 3.451 124 HD1 PHE 23 HD1 PHE 23 -2.878 5.881 4.538 125 HD2 PHE 23 HD2 PHE 23 -4.507 2.566 6.654 126 HE1 PHE 23 HE1 PHE 23 -1.180 6.172 6.294 127 HE2 PHE 23 HE2 PHE 23 -2.812 2.853 8.414 128 HZ PHE 23 HZ PHE 23 -1.146 4.658 8.236 129 H PHE 24 H PHE 24 -5.912 6.750 2.754 130 HA PHE 24 HA PHE 24 -7.990 5.489 1.089 131 HB2 PHE 24 1HB PHE 24 -8.796 7.612 1.764 132 HB3 PHE 24 2HB PHE 24 -7.237 8.380 1.484 133 HD1 PHE 24 HD1 PHE 24 -9.994 6.639 -0.305 134 HD2 PHE 24 HD2 PHE 24 -6.843 9.494 -0.504 135 HE1 PHE 24 HE1 PHE 24 -10.725 7.284 -2.565 136 HE2 PHE 24 HE2 PHE 24 -7.569 10.144 -2.763 137 HZ PHE 24 HZ PHE 24 -9.513 9.039 -3.796 138 H CYS 25 H CYS 25 -7.601 5.097 -1.041 139 HA CYS 25 HA CYS 25 -4.819 5.333 -1.903 140 HB2 CYS 25 1HB CYS 25 -5.956 3.131 -2.047 141 HB3 CYS 25 2HB CYS 25 -7.108 3.825 -3.183 142 H THR 26 H THR 26 -4.228 6.216 -3.913 143 HA THR 26 HA THR 26 -6.045 8.316 -4.834 144 HB THR 26 HB THR 26 -4.062 9.249 -5.989 145 HG1 THR 26 HG1 THR 26 -2.233 7.721 -4.650 146 HG21 THR 26 3HG2 THR 26 -3.110 8.767 -3.216 147 HG22 THR 26 1HG2 THR 26 -4.693 9.517 -3.419 148 HG23 THR 26 2HG2 THR 26 -3.261 10.277 -4.113 149 H THR 27 H THR 27 -4.671 5.317 -5.822 150 HA THR 27 HA THR 27 -5.077 5.728 -8.646 151 HB THR 27 HB THR 27 -4.446 3.219 -7.081 152 HG1 THR 27 HG1 THR 27 -2.586 4.281 -7.084 153 HG21 THR 27 3HG2 THR 27 -4.812 3.711 -10.017 154 HG22 THR 27 1HG2 THR 27 -5.441 2.397 -9.024 155 HG23 THR 27 2HG2 THR 27 -3.728 2.445 -9.441 156 H CYS 28 H CYS 28 -6.388 3.184 -6.521 157 HA CYS 28 HA CYS 28 -8.735 2.960 -8.193 158 HB2 CYS 28 1HB CYS 28 -9.306 1.052 -6.854 159 HB3 CYS 28 2HB CYS 28 -7.576 0.981 -7.173 160 H GLY 29 H GLY 29 -8.027 3.874 -4.831 161 HA2 GLY 29 1HA GLY 29 -9.142 5.666 -3.730 162 HA3 GLY 29 2HA GLY 29 -10.497 5.460 -4.830 163 H GLN 30 H GLN 30 -8.792 3.072 -2.829 164 HA GLN 30 HA GLN 30 -11.383 2.307 -1.689 165 HB2 GLN 30 1HB GLN 30 -8.776 0.878 -2.066 166 HB3 GLN 30 2HB GLN 30 -9.916 0.314 -0.852 167 HG2 GLN 30 1HG GLN 30 -10.932 0.796 -3.597 168 HG3 GLN 30 2HG GLN 30 -9.917 -0.619 -3.320 169 HE21 GLN 30 1HE2 GLN 30 -12.851 1.020 -2.286 170 HE22 GLN 30 2HE2 GLN 30 -13.663 -0.396 -1.720 171 H HIS 31 H HIS 31 -11.170 1.405 0.634 172 HA HIS 31 HA HIS 31 -9.483 3.216 2.230 173 HB2 HIS 31 1HB HIS 31 -12.272 2.353 3.005 174 HB3 HIS 31 2HB HIS 31 -11.265 3.563 3.795 175 HD1 HIS 31 HD1 HIS 31 -12.266 5.777 3.380 176 HD2 HIS 31 HD2 HIS 31 -12.470 3.343 0.019 177 HE1 HIS 31 HE1 HIS 31 -13.299 7.200 1.582 178 HE2 HIS 31 HE2 HIS 31 -13.491 5.680 -0.418 179 H TYR 32 H TYR 32 -8.746 2.420 4.230 180 HA TYR 32 HA TYR 32 -9.338 -0.311 4.985 181 HB2 TYR 32 1HB TYR 32 -6.506 0.456 4.250 182 HB3 TYR 32 2HB TYR 32 -7.050 -1.109 4.844 183 HD1 TYR 32 HD2 TYR 32 -7.540 1.266 2.013 184 HD2 TYR 32 HD1 TYR 32 -7.630 -2.779 3.331 185 HE1 TYR 32 HE2 TYR 32 -7.918 0.526 -0.302 186 HE2 TYR 32 HE1 TYR 32 -8.007 -3.530 1.020 187 HH TYR 32 HH TYR 32 -8.838 -2.678 -1.081 188 H HIS 33 H HIS 33 -9.019 -0.677 7.126 189 HA HIS 33 HA HIS 33 -8.373 1.615 8.763 190 HB2 HIS 33 1HB HIS 33 -9.282 -1.184 9.449 191 HB3 HIS 33 2HB HIS 33 -8.971 0.063 10.653 192 HD2 HIS 33 HD2 HIS 33 -10.721 2.422 10.236 193 HE1 HIS 33 HE1 HIS 33 -13.763 -0.003 8.544 194 HE2 HIS 33 HE2 HIS 33 -13.185 2.270 9.462 195 H GLY 34 H GLY 34 -6.755 1.673 10.377 196 HA2 GLY 34 1HA GLY 34 -4.247 0.691 9.593 197 HA3 GLY 34 2HA GLY 34 -4.621 1.378 11.167 198 H MET 35 H MET 35 -6.712 -0.719 11.602 199 HA MET 35 HA MET 35 -4.895 -2.737 12.648 200 HB2 MET 35 1HB MET 35 -7.808 -2.123 13.100 201 HB3 MET 35 2HB MET 35 -7.070 -3.600 13.705 202 HG2 MET 35 1HG MET 35 -5.811 -0.976 14.338 203 HG3 MET 35 2HG MET 35 -7.254 -1.481 15.214 204 HE1 MET 35 3HE MET 35 -3.056 -3.149 15.310 205 HE2 MET 35 1HE MET 35 -3.760 -1.915 14.264 206 HE3 MET 35 2HE MET 35 -3.404 -1.542 15.951 207 H CYS 36 H CYS 36 -7.568 -2.446 10.371 208 HA CYS 36 HA CYS 36 -8.006 -5.151 9.845 209 HB2 CYS 36 1HB CYS 36 -8.445 -2.621 8.317 210 HB3 CYS 36 2HB CYS 36 -8.627 -4.156 7.474 211 H LEU 37 H LEU 37 -5.570 -2.941 8.620 212 HA LEU 37 HA LEU 37 -4.438 -5.115 6.994 213 HB2 LEU 37 1HB LEU 37 -4.397 -2.147 6.777 214 HB3 LEU 37 2HB LEU 37 -3.019 -3.052 6.155 215 HG LEU 37 HG LEU 37 -5.874 -3.476 5.277 216 HD11 LEU 37 1HD1 LEU 37 -5.640 -1.928 3.671 217 HD12 LEU 37 2HD1 LEU 37 -3.939 -2.309 3.406 218 HD13 LEU 37 3HD1 LEU 37 -4.409 -1.257 4.740 219 HD21 LEU 37 3HD2 LEU 37 -4.678 -4.610 3.357 220 HD22 LEU 37 1HD2 LEU 37 -4.641 -5.455 4.905 221 HD23 LEU 37 2HD2 LEU 37 -3.224 -4.560 4.354 222 H ASP 38 H ASP 38 -4.059 -3.500 9.899 223 HA ASP 38 HA ASP 38 -2.474 -3.651 11.532 224 HB2 ASP 38 1HB ASP 38 -2.203 -5.999 10.622 225 HB3 ASP 38 2HB ASP 38 -0.868 -5.384 9.652 226 H ILE 39 H ILE 39 -2.473 -1.509 9.700 227 HA ILE 39 HA ILE 39 0.373 -0.955 9.250 228 HB ILE 39 HB ILE 39 -2.053 0.556 8.273 229 HG12 ILE 39 1HG1 ILE 39 -0.146 -1.279 6.806 230 HG13 ILE 39 2HG1 ILE 39 -1.810 -1.661 7.234 231 HG21 ILE 39 1HG2 ILE 39 -0.708 2.142 7.428 232 HG22 ILE 39 2HG2 ILE 39 0.440 1.569 8.637 233 HG23 ILE 39 3HG2 ILE 39 0.542 0.982 6.977 234 HD11 ILE 39 3HD1 ILE 39 -1.824 -1.066 4.960 235 HD12 ILE 39 1HD1 ILE 39 -2.492 0.316 5.829 236 HD13 ILE 39 2HD1 ILE 39 -0.826 0.360 5.248 237 H ALA 40 H ALA 40 1.439 0.667 10.271 238 HA ALA 40 HA ALA 40 0.158 1.812 12.610 239 HB1 ALA 40 3HB ALA 40 2.863 2.714 12.160 240 HB2 ALA 40 1HB ALA 40 2.195 1.777 13.497 241 HB3 ALA 40 2HB ALA 40 2.742 0.959 12.033 242 H VAL 41 H VAL 41 -1.075 3.549 12.232 243 HA VAL 41 HA VAL 41 -0.959 5.319 10.125 244 HB VAL 41 HB VAL 41 -1.822 5.933 12.955 245 HG11 VAL 41 1HG1 VAL 41 -1.948 8.033 12.187 246 HG12 VAL 41 2HG1 VAL 41 -1.785 7.528 10.504 247 HG13 VAL 41 3HG1 VAL 41 -3.360 7.465 11.296 248 HG21 VAL 41 3HG2 VAL 41 -3.019 4.035 12.046 249 HG22 VAL 41 1HG2 VAL 41 -4.085 5.439 12.103 250 HG23 VAL 41 2HG2 VAL 41 -3.376 4.931 10.570 251 H THR 42 H THR 42 0.489 6.760 9.484 252 HA THR 42 HA THR 42 2.088 8.185 11.486 253 HB THR 42 HB THR 42 4.099 7.957 9.982 254 HG1 THR 42 HG1 THR 42 4.010 6.086 8.571 255 HG21 THR 42 3HG2 THR 42 4.666 5.680 10.773 256 HG22 THR 42 1HG2 THR 42 2.983 5.450 11.242 257 HG23 THR 42 2HG2 THR 42 3.959 6.684 12.038 258 HA PRO 43 HA PRO 43 1.277 11.752 9.057 259 HB2 PRO 43 1HB PRO 43 3.525 13.212 9.490 260 HB3 PRO 43 2HB PRO 43 2.282 12.972 10.724 261 HG2 PRO 43 1HG PRO 43 4.895 11.555 10.366 262 HG3 PRO 43 2HG PRO 43 4.141 12.153 11.856 263 HD2 PRO 43 1HD PRO 43 4.050 9.548 11.120 264 HD3 PRO 43 2HD PRO 43 2.739 10.331 12.026 265 H LEU 44 H LEU 44 3.448 9.469 8.124 266 HA LEU 44 HA LEU 44 4.448 10.997 5.826 267 HB2 LEU 44 1HB LEU 44 5.943 9.573 7.371 268 HB3 LEU 44 2HB LEU 44 5.250 8.194 6.521 269 HG LEU 44 HG LEU 44 6.096 9.258 4.383 270 HD11 LEU 44 1HD1 LEU 44 8.167 10.740 4.933 271 HD12 LEU 44 2HD1 LEU 44 7.280 11.095 6.415 272 HD13 LEU 44 3HD1 LEU 44 6.561 11.464 4.848 273 HD21 LEU 44 3HD2 LEU 44 7.173 7.337 5.473 274 HD22 LEU 44 1HD2 LEU 44 8.148 8.445 6.438 275 HD23 LEU 44 2HD2 LEU 44 8.344 8.396 4.686 276 H LYS 45 H LYS 45 2.947 7.858 6.585 277 HA LYS 45 HA LYS 45 2.432 7.097 3.933 278 HB2 LYS 45 1HB LYS 45 1.455 6.273 6.613 279 HB3 LYS 45 2HB LYS 45 0.465 5.815 5.234 280 HG2 LYS 45 1HG LYS 45 2.225 4.559 4.271 281 HG3 LYS 45 2HG LYS 45 3.406 5.221 5.403 282 HD2 LYS 45 1HD LYS 45 1.072 3.799 6.553 283 HD3 LYS 45 2HD LYS 45 2.287 2.820 5.727 284 HE2 LYS 45 1HE LYS 45 3.960 4.213 7.177 285 HE3 LYS 45 2HE LYS 45 2.543 4.497 8.186 286 HZ1 LYS 45 3HZ LYS 45 3.622 1.835 7.428 287 HZ2 LYS 45 1HZ LYS 45 2.258 2.105 8.391 288 HZ3 LYS 45 2HZ LYS 45 3.787 2.574 8.941 289 H ARG 46 H ARG 46 0.165 8.448 6.338 290 HA ARG 46 HA ARG 46 -2.120 8.714 4.994 291 HB2 ARG 46 1HB ARG 46 -0.777 10.888 6.606 292 HB3 ARG 46 2HB ARG 46 -2.464 10.930 6.113 293 HG2 ARG 46 1HG ARG 46 -3.050 9.176 7.521 294 HG3 ARG 46 2HG ARG 46 -1.382 8.623 7.680 295 HD2 ARG 46 1HD ARG 46 -0.838 10.281 9.192 296 HD3 ARG 46 2HD ARG 46 -2.132 11.347 8.645 297 HE ARG 46 HE ARG 46 -3.384 9.153 9.735 298 HH11 ARG 46 2HH1 ARG 46 -1.148 11.587 10.828 299 HH12 ARG 46 1HH1 ARG 46 -1.706 11.549 12.468 300 HH21 ARG 46 2HH2 ARG 46 -4.128 9.094 11.891 301 HH22 ARG 46 1HH2 ARG 46 -3.400 10.130 13.071 302 H ALA 47 H ALA 47 0.685 10.827 4.507 303 HA ALA 47 HA ALA 47 -0.653 12.120 2.253 304 HB1 ALA 47 3HB ALA 47 0.402 13.687 3.653 305 HB2 ALA 47 1HB ALA 47 1.876 12.723 3.760 306 HB3 ALA 47 2HB ALA 47 1.460 13.534 2.250 307 H GLY 48 H GLY 48 -0.635 10.329 0.811 308 HA2 GLY 48 1HA GLY 48 0.505 9.838 -1.277 309 HA3 GLY 48 2HA GLY 48 2.021 9.866 -0.388 310 H TRP 49 H TRP 49 -0.963 8.273 0.614 311 HA TRP 49 HA TRP 49 0.495 5.774 0.875 312 HB2 TRP 49 1HB TRP 49 -1.036 6.613 2.672 313 HB3 TRP 49 2HB TRP 49 -2.389 6.359 1.573 314 HD1 TRP 49 HD1 TRP 49 0.305 4.351 3.471 315 HE1 TRP 49 HE1 TRP 49 -0.569 1.954 3.807 316 HE3 TRP 49 HE3 TRP 49 -4.012 4.673 0.751 317 HZ2 TRP 49 HZ2 TRP 49 -2.794 0.404 3.022 318 HZ3 TRP 49 HZ3 TRP 49 -5.457 2.688 0.593 319 HH2 TRP 49 HH2 TRP 49 -4.858 0.598 1.705 320 H GLN 50 H GLN 50 0.087 3.910 -0.248 321 HA GLN 50 HA GLN 50 -1.927 4.040 -2.386 322 HB2 GLN 50 1HB GLN 50 0.989 3.448 -2.593 323 HB3 GLN 50 2HB GLN 50 -0.115 2.574 -3.646 324 HG2 GLN 50 1HG GLN 50 -1.035 4.940 -4.200 325 HG3 GLN 50 2HG GLN 50 0.516 5.487 -3.566 326 HE21 GLN 50 1HE2 GLN 50 -1.010 3.447 -5.985 327 HE22 GLN 50 2HE2 GLN 50 0.301 3.479 -7.109 328 H CYS 51 H CYS 51 -3.392 2.561 -1.837 329 HA CYS 51 HA CYS 51 -3.255 0.482 -0.118 330 HB2 CYS 51 1HB CYS 51 -5.224 -0.322 -1.037 331 HB3 CYS 51 2HB CYS 51 -5.216 1.337 -1.629 332 HA PRO 52 HA PRO 52 -0.628 -2.679 -1.652 333 HB2 PRO 52 1HB PRO 52 -1.930 -4.921 -0.845 334 HB3 PRO 52 2HB PRO 52 -1.086 -3.844 0.275 335 HG2 PRO 52 1HG PRO 52 -4.007 -4.004 -0.362 336 HG3 PRO 52 2HG PRO 52 -3.214 -3.820 1.213 337 HD2 PRO 52 1HD PRO 52 -4.309 -1.733 -0.119 338 HD3 PRO 52 2HD PRO 52 -2.882 -1.558 0.923 339 H GLU 53 H GLU 53 -3.747 -2.246 -2.874 340 HA GLU 53 HA GLU 53 -3.518 -4.419 -4.817 341 HB2 GLU 53 1HB GLU 53 -5.763 -2.439 -4.394 342 HB3 GLU 53 2HB GLU 53 -5.803 -3.835 -5.461 343 HG2 GLU 53 1HG GLU 53 -5.501 -5.294 -3.482 344 HG3 GLU 53 2HG GLU 53 -5.615 -3.864 -2.459 345 H CYS 54 H CYS 54 -2.669 -1.195 -4.510 346 HA CYS 54 HA CYS 54 -2.517 -0.898 -7.437 347 HB2 CYS 54 1HB CYS 54 -3.147 1.210 -5.367 348 HB3 CYS 54 2HB CYS 54 -2.711 1.586 -7.031 349 H LYS 55 H LYS 55 -0.966 -0.672 -4.367 350 HA LYS 55 HA LYS 55 1.208 0.954 -4.862 351 HB2 LYS 55 1HB LYS 55 2.283 -0.097 -3.048 352 HB3 LYS 55 2HB LYS 55 0.565 -0.241 -2.700 353 HG2 LYS 55 1HG LYS 55 0.603 -2.545 -3.550 354 HG3 LYS 55 2HG LYS 55 2.338 -2.393 -3.839 355 HD2 LYS 55 1HD LYS 55 1.129 -1.913 -1.130 356 HD3 LYS 55 2HD LYS 55 1.595 -3.528 -1.670 357 HE2 LYS 55 1HE LYS 55 3.880 -2.798 -1.987 358 HE3 LYS 55 2HE LYS 55 3.438 -1.142 -1.575 359 HZ1 LYS 55 3HZ LYS 55 2.924 -3.307 0.350 360 HZ2 LYS 55 1HZ LYS 55 3.197 -1.662 0.636 361 HZ3 LYS 55 2HZ LYS 55 4.485 -2.670 0.209 362 H VAL 56 H VAL 56 3.363 0.543 -5.532 363 HA VAL 56 HA VAL 56 4.032 -1.950 -6.812 364 HB VAL 56 HB VAL 56 4.479 -0.976 -9.031 365 HG11 VAL 56 1HG1 VAL 56 1.601 -0.638 -8.194 366 HG12 VAL 56 2HG1 VAL 56 2.198 -0.966 -9.822 367 HG13 VAL 56 3HG1 VAL 56 2.373 -2.182 -8.556 368 HG21 VAL 56 3HG2 VAL 56 4.729 1.281 -8.915 369 HG22 VAL 56 1HG2 VAL 56 3.025 1.232 -9.366 370 HG23 VAL 56 2HG2 VAL 56 3.485 1.468 -7.679 371 H CYS 57 H CYS 57 6.245 -1.805 -7.851 372 HA CYS 57 HA CYS 57 8.116 -0.881 -6.014 373 HB2 CYS 57 1HB CYS 57 8.462 -2.631 -7.806 374 HB3 CYS 57 2HB CYS 57 8.658 -1.311 -8.955 375 H GLN 58 H GLN 58 9.661 0.816 -6.115 376 HA GLN 58 HA GLN 58 8.641 3.199 -7.496 377 HB2 GLN 58 1HB GLN 58 10.273 2.820 -5.000 378 HB3 GLN 58 2HB GLN 58 10.232 4.371 -5.829 379 HG2 GLN 58 1HG GLN 58 7.775 2.924 -4.874 380 HG3 GLN 58 2HG GLN 58 8.633 4.139 -3.927 381 HE21 GLN 58 1HE2 GLN 58 6.034 3.708 -5.790 382 HE22 GLN 58 2HE2 GLN 58 5.847 5.294 -6.447 383 H ASN 59 H ASN 59 11.147 0.930 -7.559 384 HA ASN 59 HA ASN 59 13.116 2.714 -8.724 385 HB2 ASN 59 1HB ASN 59 13.089 -0.229 -8.076 386 HB3 ASN 59 2HB ASN 59 14.390 0.499 -9.014 387 HD21 ASN 59 1HD2 ASN 59 13.219 -0.170 -5.941 388 HD22 ASN 59 2HD2 ASN 59 14.340 0.778 -5.030 389 H CYS 60 H CYS 60 11.415 -0.243 -9.772 390 HA CYS 60 HA CYS 60 11.984 0.444 -12.555 391 HB2 CYS 60 1HB CYS 60 11.293 -1.803 -13.095 392 HB3 CYS 60 2HB CYS 60 12.401 -1.873 -11.728 393 H LYS 61 H LYS 61 9.396 0.384 -10.263 394 HA LYS 61 HA LYS 61 7.239 1.100 -10.361 395 HB2 LYS 61 1HB LYS 61 8.159 2.249 -13.001 396 HB3 LYS 61 2HB LYS 61 6.594 2.581 -12.272 397 HG2 LYS 61 1HG LYS 61 9.165 3.142 -10.833 398 HG3 LYS 61 2HG LYS 61 8.432 4.305 -11.941 399 HD2 LYS 61 1HD LYS 61 6.726 3.107 -9.817 400 HD3 LYS 61 2HD LYS 61 7.905 4.336 -9.350 401 HE2 LYS 61 1HE LYS 61 6.206 5.739 -9.850 402 HE3 LYS 61 2HE LYS 61 6.821 5.540 -11.490 403 HZ1 LYS 61 3HZ LYS 61 4.722 4.959 -11.938 404 HZ2 LYS 61 1HZ LYS 61 4.345 4.615 -10.325 405 HZ3 LYS 61 2HZ LYS 61 5.140 3.461 -11.272 406 H GLN 62 H GLN 62 7.590 -1.514 -10.958 407 HA GLN 62 HA GLN 62 5.496 -1.967 -12.961 408 HB2 GLN 62 1HB GLN 62 6.694 -3.439 -14.206 409 HB3 GLN 62 2HB GLN 62 8.051 -2.500 -13.598 410 HG2 GLN 62 1HG GLN 62 8.334 -4.144 -11.783 411 HG3 GLN 62 2HG GLN 62 7.032 -5.103 -12.486 412 HE21 GLN 62 1HE2 GLN 62 10.012 -5.494 -12.066 413 HE22 GLN 62 2HE2 GLN 62 10.580 -6.040 -13.603 414 H SER 63 H SER 63 3.891 -3.170 -12.192 415 HA SER 63 HA SER 63 4.207 -4.456 -9.604 416 HB2 SER 63 1HB SER 63 1.909 -4.344 -9.394 417 HB3 SER 63 2HB SER 63 2.191 -2.983 -10.480 418 HG SER 63 HG SER 63 0.514 -4.714 -11.003 419 H GLY 64 H GLY 64 4.437 -6.578 -9.300 420 HA2 GLY 64 1HA GLY 64 3.308 -8.558 -11.000 421 HA3 GLY 64 2HA GLY 64 5.022 -8.365 -11.337 422 H GLU 65 H GLU 65 6.513 -8.617 -9.497 423 HA GLU 65 HA GLU 65 5.775 -10.939 -7.959 424 HB2 GLU 65 1HB GLU 65 8.319 -9.341 -8.204 425 HB3 GLU 65 2HB GLU 65 8.156 -10.680 -7.078 426 HG2 GLU 65 1HG GLU 65 7.510 -11.087 -9.960 427 HG3 GLU 65 2HG GLU 65 9.191 -11.063 -9.429 428 H ASP 66 H ASP 66 4.865 -10.886 -6.025 429 HA ASP 66 HA ASP 66 4.950 -8.408 -4.471 430 HB2 ASP 66 1HB ASP 66 3.159 -9.563 -3.104 431 HB3 ASP 66 2HB ASP 66 2.731 -9.218 -4.778 432 H SER 67 H SER 67 5.113 -11.903 -3.759 433 HA SER 67 HA SER 67 5.992 -11.943 -1.226 434 HB2 SER 67 1HB SER 67 7.155 -13.606 -3.474 435 HB3 SER 67 2HB SER 67 7.283 -13.987 -1.757 436 HG SER 67 HG SER 67 4.795 -13.712 -1.994 437 H LYS 68 H LYS 68 8.311 -11.857 -3.938 438 HA LYS 68 HA LYS 68 10.578 -11.326 -2.409 439 HB2 LYS 68 1HB LYS 68 9.996 -10.524 -5.266 440 HB3 LYS 68 2HB LYS 68 11.589 -10.517 -4.521 441 HG2 LYS 68 1HG LYS 68 11.326 -12.968 -4.122 442 HG3 LYS 68 2HG LYS 68 9.844 -12.903 -5.079 443 HD2 LYS 68 1HD LYS 68 11.100 -12.102 -7.003 444 HD3 LYS 68 2HD LYS 68 12.585 -12.090 -6.049 445 HE2 LYS 68 1HE LYS 68 12.343 -14.529 -5.720 446 HE3 LYS 68 2HE LYS 68 10.924 -14.504 -6.765 447 HZ1 LYS 68 3HZ LYS 68 12.268 -14.717 -8.493 448 HZ2 LYS 68 1HZ LYS 68 13.633 -14.661 -7.495 449 HZ3 LYS 68 2HZ LYS 68 12.990 -13.231 -8.129 450 H MET 69 H MET 69 8.265 -9.108 -3.901 451 HA MET 69 HA MET 69 9.545 -6.697 -3.538 452 HB2 MET 69 1HB MET 69 7.338 -7.062 -4.670 453 HB3 MET 69 2HB MET 69 6.596 -7.166 -3.079 454 HG2 MET 69 1HG MET 69 7.411 -4.875 -2.607 455 HG3 MET 69 2HG MET 69 8.001 -4.786 -4.265 456 HE1 MET 69 3HE MET 69 5.154 -3.437 -6.140 457 HE2 MET 69 1HE MET 69 6.603 -2.847 -5.326 458 HE3 MET 69 2HE MET 69 6.669 -4.332 -6.275 459 H LEU 70 H LEU 70 10.433 -5.840 -1.788 460 HA LEU 70 HA LEU 70 9.599 -6.670 0.857 461 HB2 LEU 70 1HB LEU 70 11.738 -4.742 -0.034 462 HB3 LEU 70 2HB LEU 70 11.473 -5.268 1.627 463 HG LEU 70 HG LEU 70 12.049 -7.293 -0.496 464 HD11 LEU 70 1HD1 LEU 70 14.229 -6.808 -0.683 465 HD12 LEU 70 2HD1 LEU 70 14.368 -6.310 1.003 466 HD13 LEU 70 3HD1 LEU 70 13.736 -5.185 -0.198 467 HD21 LEU 70 3HD2 LEU 70 12.676 -8.648 1.266 468 HD22 LEU 70 1HD2 LEU 70 11.354 -7.718 1.972 469 HD23 LEU 70 2HD2 LEU 70 13.026 -7.284 2.329 470 H VAL 71 H VAL 71 7.746 -5.769 1.538 471 HA VAL 71 HA VAL 71 6.992 -3.081 0.878 472 HB VAL 71 HB VAL 71 5.779 -5.003 2.869 473 HG11 VAL 71 1HG1 VAL 71 4.779 -3.121 3.599 474 HG12 VAL 71 2HG1 VAL 71 5.148 -2.226 2.124 475 HG13 VAL 71 3HG1 VAL 71 3.776 -3.333 2.165 476 HG21 VAL 71 3HG2 VAL 71 5.194 -4.414 -0.022 477 HG22 VAL 71 1HG2 VAL 71 5.575 -5.966 0.726 478 HG23 VAL 71 2HG2 VAL 71 4.023 -5.190 1.045 479 H CYS 72 H CYS 72 7.831 -1.348 1.817 480 HA CYS 72 HA CYS 72 9.366 -1.416 4.187 481 HB2 CYS 72 1HB CYS 72 9.463 0.288 2.272 482 HB3 CYS 72 2HB CYS 72 8.089 1.065 3.050 483 H ASP 73 H ASP 73 8.909 -0.077 6.131 484 HA ASP 73 HA ASP 73 6.122 -0.480 6.971 485 HB2 ASP 73 1HB ASP 73 8.243 -1.482 8.186 486 HB3 ASP 73 2HB ASP 73 8.312 0.121 8.915 487 H THR 74 H THR 74 8.733 1.883 6.884 488 HA THR 74 HA THR 74 7.272 3.935 8.232 489 HB THR 74 HB THR 74 9.758 4.052 6.518 490 HG1 THR 74 HG1 THR 74 9.289 4.130 9.328 491 HG21 THR 74 3HG2 THR 74 8.409 6.191 6.550 492 HG22 THR 74 1HG2 THR 74 10.056 6.319 7.164 493 HG23 THR 74 2HG2 THR 74 8.699 6.249 8.288 494 H CYS 75 H CYS 75 8.332 3.652 4.832 495 HA CYS 75 HA CYS 75 6.330 5.613 4.045 496 HB2 CYS 75 1HB CYS 75 7.440 5.712 1.950 497 HB3 CYS 75 2HB CYS 75 8.712 5.599 3.161 498 H ASP 76 H ASP 76 6.883 2.190 3.934 499 HA ASP 76 HA ASP 76 5.694 0.441 3.082 500 HB2 ASP 76 1HB ASP 76 3.689 2.405 4.051 501 HB3 ASP 76 2HB ASP 76 3.086 1.091 3.045 502 H LYS 77 H LYS 77 6.856 1.986 1.102 503 HA LYS 77 HA LYS 77 4.882 2.501 -0.955 504 HB2 LYS 77 1HB LYS 77 7.792 2.963 -0.612 505 HB3 LYS 77 2HB LYS 77 7.221 2.744 -2.261 506 HG2 LYS 77 1HG LYS 77 7.345 5.116 -1.456 507 HG3 LYS 77 2HG LYS 77 5.785 4.616 -2.114 508 HD2 LYS 77 1HD LYS 77 4.799 4.505 0.008 509 HD3 LYS 77 2HD LYS 77 6.361 4.480 0.830 510 HE2 LYS 77 1HE LYS 77 6.733 6.810 -0.039 511 HE3 LYS 77 2HE LYS 77 5.056 6.800 -0.580 512 HZ1 LYS 77 3HZ LYS 77 5.224 5.980 2.123 513 HZ2 LYS 77 1HZ LYS 77 4.384 7.289 1.458 514 HZ3 LYS 77 2HZ LYS 77 5.999 7.470 1.927 515 H GLY 78 H GLY 78 7.867 0.537 -0.921 516 HA2 GLY 78 1HA GLY 78 7.440 -1.921 -1.347 517 HA3 GLY 78 2HA GLY 78 6.491 -1.361 -2.716 518 H TYR 79 H TYR 79 9.303 -2.750 -1.995 519 HA TYR 79 HA TYR 79 10.547 -1.795 -4.450 520 HB2 TYR 79 1HB TYR 79 12.088 -1.892 -1.851 521 HB3 TYR 79 2HB TYR 79 12.705 -1.402 -3.425 522 HD1 TYR 79 HD1 TYR 79 10.383 -0.453 -0.702 523 HD2 TYR 79 HD2 TYR 79 12.444 0.820 -4.200 524 HE1 TYR 79 HE1 TYR 79 9.766 1.877 -0.211 525 HE2 TYR 79 HE2 TYR 79 11.833 3.153 -3.718 526 HH TYR 79 HH TYR 79 10.762 4.532 -2.354 527 H HIS 80 H HIS 80 11.226 -3.468 -5.608 528 HA HIS 80 HA HIS 80 11.033 -6.125 -4.697 529 HB2 HIS 80 1HB HIS 80 12.499 -5.033 -7.108 530 HB3 HIS 80 2HB HIS 80 12.099 -6.727 -6.841 531 HD2 HIS 80 HD2 HIS 80 8.948 -6.401 -6.047 532 HE1 HIS 80 HE1 HIS 80 8.639 -4.365 -9.757 533 HE2 HIS 80 HE2 HIS 80 7.377 -5.472 -7.879 534 H THR 81 H THR 81 12.935 -7.700 -4.973 535 HA THR 81 HA THR 81 14.991 -6.872 -3.129 536 HB THR 81 HB THR 81 15.834 -9.248 -3.491 537 HG1 THR 81 HG1 THR 81 13.321 -9.562 -4.793 538 HG21 THR 81 3HG2 THR 81 14.527 -8.770 -1.553 539 HG22 THR 81 1HG2 THR 81 13.881 -10.250 -2.259 540 HG23 THR 81 2HG2 THR 81 13.037 -8.719 -2.495 541 H PHE 82 H PHE 82 14.680 -7.365 -6.558 542 HA PHE 82 HA PHE 82 17.576 -7.028 -6.909 543 HB2 PHE 82 1HB PHE 82 16.802 -7.546 -9.394 544 HB3 PHE 82 2HB PHE 82 17.062 -8.837 -8.226 545 HD1 PHE 82 HD1 PHE 82 15.051 -9.745 -6.981 546 HD2 PHE 82 HD2 PHE 82 14.727 -7.252 -10.415 547 HE1 PHE 82 HE1 PHE 82 12.740 -10.517 -7.319 548 HE2 PHE 82 HE2 PHE 82 12.415 -8.019 -10.759 549 HZ PHE 82 HZ PHE 82 11.418 -9.654 -9.209 550 H CYS 83 H CYS 83 15.624 -4.894 -6.216 551 HA CYS 83 HA CYS 83 16.129 -3.136 -8.527 552 HB2 CYS 83 1HB CYS 83 13.678 -3.478 -6.853 553 HB3 CYS 83 2HB CYS 83 14.049 -1.876 -7.484 554 H LEU 84 H LEU 84 16.510 -3.701 -5.193 555 HA LEU 84 HA LEU 84 16.906 -0.962 -4.413 556 HB2 LEU 84 1HB LEU 84 17.448 -3.591 -3.058 557 HB3 LEU 84 2HB LEU 84 17.846 -2.040 -2.324 558 HG LEU 84 HG LEU 84 15.045 -2.637 -3.208 559 HD11 LEU 84 1HD1 LEU 84 16.219 -3.345 -0.523 560 HD12 LEU 84 2HD1 LEU 84 15.783 -4.505 -1.778 561 HD13 LEU 84 3HD1 LEU 84 14.535 -3.516 -1.020 562 HD21 LEU 84 3HD2 LEU 84 15.025 -0.464 -2.582 563 HD22 LEU 84 1HD2 LEU 84 16.448 -0.632 -1.553 564 HD23 LEU 84 2HD2 LEU 84 14.871 -1.167 -0.971 565 H GLN 85 H GLN 85 18.895 -0.016 -3.774 566 HA GLN 85 HA GLN 85 21.277 -1.288 -4.951 567 HB2 GLN 85 1HB GLN 85 22.063 1.086 -5.402 568 HB3 GLN 85 2HB GLN 85 20.755 0.492 -6.417 569 HG2 GLN 85 1HG GLN 85 19.153 1.668 -4.915 570 HG3 GLN 85 2HG GLN 85 20.537 2.374 -4.082 571 HE21 GLN 85 1HE2 GLN 85 18.437 3.741 -5.492 572 HE22 GLN 85 2HE2 GLN 85 19.187 4.631 -6.769 573 HA PRO 86 HA PRO 86 22.704 -2.366 -4.380 574 HB2 PRO 86 1HB PRO 86 23.227 -4.272 -2.518 575 HB3 PRO 86 2HB PRO 86 24.424 -3.078 -3.033 576 HG2 PRO 86 1HG PRO 86 22.686 -3.088 -0.596 577 HG3 PRO 86 2HG PRO 86 24.402 -2.669 -0.744 578 HD2 PRO 86 1HD PRO 86 22.453 -0.795 -0.603 579 HD3 PRO 86 2HD PRO 86 23.948 -0.550 -1.529 580 H VAL 87 H VAL 87 21.852 -4.696 -4.459 581 HA VAL 87 HA VAL 87 18.990 -4.589 -4.017 582 HB VAL 87 HB VAL 87 19.198 -6.961 -5.116 583 HG11 VAL 87 1HG1 VAL 87 19.735 -4.401 -6.620 584 HG12 VAL 87 2HG1 VAL 87 19.167 -5.908 -7.341 585 HG13 VAL 87 3HG1 VAL 87 18.155 -5.048 -6.180 586 HG21 VAL 87 3HG2 VAL 87 21.711 -6.929 -4.810 587 HG22 VAL 87 1HG2 VAL 87 21.132 -7.343 -6.424 588 HG23 VAL 87 2HG2 VAL 87 21.761 -5.727 -6.100 589 H MET 88 H MET 88 17.821 -6.417 -3.076 590 HA MET 88 HA MET 88 19.259 -7.477 -0.746 591 HB2 MET 88 1HB MET 88 16.385 -6.828 -1.285 592 HB3 MET 88 2HB MET 88 16.793 -8.000 -0.039 593 HG2 MET 88 1HG MET 88 18.074 -5.300 -0.068 594 HG3 MET 88 2HG MET 88 16.463 -5.529 0.609 595 HE1 MET 88 3HE MET 88 16.800 -7.107 3.834 596 HE2 MET 88 1HE MET 88 16.836 -5.372 3.519 597 HE3 MET 88 2HE MET 88 15.834 -6.428 2.523 598 H LYS 89 H LYS 89 20.195 -9.056 -2.343 599 HA LYS 89 HA LYS 89 19.027 -10.948 -3.823 600 HB2 LYS 89 1HB LYS 89 21.492 -10.718 -2.864 601 HB3 LYS 89 2HB LYS 89 20.936 -11.988 -1.781 602 HG2 LYS 89 1HG LYS 89 21.999 -13.050 -3.604 603 HG3 LYS 89 2HG LYS 89 20.264 -13.293 -3.815 604 HD2 LYS 89 1HD LYS 89 21.084 -12.707 -5.946 605 HD3 LYS 89 2HD LYS 89 20.311 -11.248 -5.322 606 HE2 LYS 89 1HE LYS 89 22.269 -10.348 -6.071 607 HE3 LYS 89 2HE LYS 89 22.753 -10.771 -4.429 608 HZ1 LYS 89 3HZ LYS 89 24.454 -11.617 -5.718 609 HZ2 LYS 89 1HZ LYS 89 23.422 -12.126 -6.958 610 HZ3 LYS 89 2HZ LYS 89 23.472 -12.977 -5.498 611 H SER 90 H SER 90 18.868 -10.778 -0.321 612 HA SER 90 HA SER 90 16.889 -12.960 -0.373 613 HB2 SER 90 1HB SER 90 19.032 -12.420 1.689 614 HB3 SER 90 2HB SER 90 17.667 -13.499 1.974 615 HG SER 90 HG SER 90 18.988 -14.912 1.123 616 H VAL 91 H VAL 91 15.595 -12.910 1.799 617 HA VAL 91 HA VAL 91 14.721 -10.126 2.198 618 HB VAL 91 HB VAL 91 13.153 -12.686 2.541 619 HG11 VAL 91 1HG1 VAL 91 11.293 -11.406 3.179 620 HG12 VAL 91 2HG1 VAL 91 12.634 -10.751 4.122 621 HG13 VAL 91 3HG1 VAL 91 12.058 -9.894 2.692 622 HG21 VAL 91 3HG2 VAL 91 12.119 -12.264 0.534 623 HG22 VAL 91 1HG2 VAL 91 12.456 -10.534 0.601 624 HG23 VAL 91 2HG2 VAL 91 13.743 -11.667 0.193 625 HA PRO 92 HA PRO 92 16.069 -10.402 6.393 626 HB2 PRO 92 1HB PRO 92 14.656 -8.306 7.383 627 HB3 PRO 92 2HB PRO 92 16.089 -8.105 6.369 628 HG2 PRO 92 1HG PRO 92 13.196 -7.956 5.612 629 HG3 PRO 92 2HG PRO 92 14.537 -6.904 5.121 630 HD2 PRO 92 1HD PRO 92 13.568 -8.870 3.530 631 HD3 PRO 92 2HD PRO 92 15.276 -8.385 3.516 632 H THR 93 H THR 93 15.061 -10.387 8.638 633 HA THR 93 HA THR 93 12.830 -12.239 8.628 634 HB THR 93 HB THR 93 14.445 -11.180 10.955 635 HG1 THR 93 HG1 THR 93 14.859 -13.202 9.110 636 HG21 THR 93 3HG2 THR 93 13.355 -13.690 11.546 637 HG22 THR 93 1HG2 THR 93 12.041 -12.766 10.819 638 HG23 THR 93 2HG2 THR 93 12.886 -12.135 12.233 639 H ASN 94 H ASN 94 13.565 -9.306 10.528 640 HA ASN 94 HA ASN 94 10.933 -8.238 10.041 641 HB2 ASN 94 1HB ASN 94 10.608 -8.047 12.635 642 HB3 ASN 94 2HB ASN 94 10.143 -9.526 11.800 643 HD21 ASN 94 1HD2 ASN 94 10.344 -10.508 13.903 644 HD22 ASN 94 2HD2 ASN 94 11.899 -11.010 14.464 645 H GLY 95 H GLY 95 10.838 -6.048 10.353 646 HA2 GLY 95 1HA GLY 95 11.519 -3.950 11.132 647 HA3 GLY 95 2HA GLY 95 12.922 -4.705 11.873 648 H TRP 96 H TRP 96 11.573 -4.110 8.627 649 HA TRP 96 HA TRP 96 14.318 -3.650 7.673 650 HB2 TRP 96 1HB TRP 96 13.159 -5.422 6.473 651 HB3 TRP 96 2HB TRP 96 11.805 -4.346 6.139 652 HD1 TRP 96 HD1 TRP 96 15.583 -4.607 5.294 653 HE1 TRP 96 HE1 TRP 96 15.939 -3.603 2.951 654 HE3 TRP 96 HE3 TRP 96 10.819 -2.998 4.366 655 HZ2 TRP 96 HZ2 TRP 96 14.405 -2.301 0.971 656 HZ3 TRP 96 HZ3 TRP 96 10.348 -1.882 2.224 657 HH2 TRP 96 HH2 TRP 96 12.105 -1.542 0.563 658 H LYS 97 H LYS 97 14.656 -1.918 6.124 659 HA LYS 97 HA LYS 97 12.649 0.186 6.043 660 HB2 LYS 97 1HB LYS 97 14.309 0.362 8.101 661 HB3 LYS 97 2HB LYS 97 15.387 1.030 6.882 662 HG2 LYS 97 1HG LYS 97 13.524 2.644 6.312 663 HG3 LYS 97 2HG LYS 97 12.726 2.088 7.785 664 HD2 LYS 97 1HD LYS 97 15.570 3.007 7.888 665 HD3 LYS 97 2HD LYS 97 14.264 4.195 7.850 666 HE2 LYS 97 1HE LYS 97 14.317 1.925 9.820 667 HE3 LYS 97 2HE LYS 97 15.111 3.466 10.141 668 HZ1 LYS 97 3HZ LYS 97 12.295 3.457 9.306 669 HZ2 LYS 97 1HZ LYS 97 13.125 4.568 10.276 670 HZ3 LYS 97 2HZ LYS 97 12.676 3.064 10.907 671 H CYS 98 H CYS 98 12.592 1.026 4.069 672 HA CYS 98 HA CYS 98 14.517 0.297 2.095 673 HB2 CYS 98 1HB CYS 98 13.080 1.252 0.542 674 HB3 CYS 98 2HB CYS 98 11.971 0.813 1.838 675 H LYS 99 H LYS 99 15.759 1.772 0.783 676 HA LYS 99 HA LYS 99 17.444 3.439 2.206 677 HB2 LYS 99 1HB LYS 99 17.990 2.527 -0.004 678 HB3 LYS 99 2HB LYS 99 16.776 3.564 -0.741 679 HG2 LYS 99 1HG LYS 99 18.200 5.455 0.438 680 HG3 LYS 99 2HG LYS 99 19.468 4.235 0.305 681 HD2 LYS 99 1HD LYS 99 19.454 4.277 -1.996 682 HD3 LYS 99 2HD LYS 99 17.781 4.833 -2.081 683 HE2 LYS 99 1HE LYS 99 18.995 6.707 -2.723 684 HE3 LYS 99 2HE LYS 99 18.681 7.000 -1.013 685 HZ1 LYS 99 3HZ LYS 99 20.852 6.661 -0.460 686 HZ2 LYS 99 1HZ LYS 99 21.064 7.288 -2.017 687 HZ3 LYS 99 2HZ LYS 99 21.156 5.620 -1.757 688 H ASN 100 H ASN 100 14.943 4.524 -0.101 689 HA ASN 100 HA ASN 100 15.019 7.199 0.216 690 HB2 ASN 100 1HB ASN 100 13.414 6.211 -1.275 691 HB3 ASN 100 2HB ASN 100 12.564 5.444 0.063 692 HD21 ASN 100 1HD2 ASN 100 10.810 6.428 0.742 693 HD22 ASN 100 2HD2 ASN 100 10.435 8.101 0.535 694 H CYS 101 H CYS 101 14.115 4.907 2.631 695 HA CYS 101 HA CYS 101 13.018 6.983 4.374 696 HB2 CYS 101 1HB CYS 101 13.014 3.990 4.406 697 HB3 CYS 101 2HB CYS 101 12.782 4.863 5.917 698 H ARG 102 H ARG 102 15.786 4.865 4.034 699 HA ARG 102 HA ARG 102 16.925 5.069 6.553 700 HB2 ARG 102 1HB ARG 102 18.852 4.221 5.615 701 HB3 ARG 102 2HB ARG 102 17.666 3.763 4.400 702 HG2 ARG 102 1HG ARG 102 18.379 5.392 2.907 703 HG3 ARG 102 2HG ARG 102 19.180 6.332 4.168 704 HD2 ARG 102 1HD ARG 102 20.735 5.099 2.654 705 HD3 ARG 102 2HD ARG 102 20.924 4.714 4.365 706 HE ARG 102 HE ARG 102 19.169 2.847 3.321 707 HH11 ARG 102 2HH1 ARG 102 22.474 3.822 2.831 708 HH12 ARG 102 1HH1 ARG 102 23.002 2.248 2.335 709 HH21 ARG 102 2HH2 ARG 102 19.851 0.770 2.670 710 HH22 ARG 102 1HH2 ARG 102 21.509 0.513 2.243 711 H ILE 103 H ILE 103 16.674 7.440 4.041 712 HA ILE 103 HA ILE 103 18.750 9.168 4.607 713 HB ILE 103 HB ILE 103 15.960 9.654 3.621 714 HG12 ILE 103 1HG1 ILE 103 17.580 10.575 1.706 715 HG13 ILE 103 2HG1 ILE 103 18.706 9.468 2.484 716 HG21 ILE 103 1HG2 ILE 103 18.021 11.712 4.345 717 HG22 ILE 103 2HG2 ILE 103 16.790 12.017 3.121 718 HG23 ILE 103 3HG2 ILE 103 16.313 11.659 4.780 719 HD11 ILE 103 3HD1 ILE 103 15.993 8.481 1.785 720 HD12 ILE 103 1HD1 ILE 103 17.183 8.692 0.502 721 HD13 ILE 103 2HD1 ILE 103 17.528 7.617 1.857 722 H CYS 104 H CYS 104 19.212 10.618 6.164 723 HA CYS 104 HA CYS 104 17.694 10.530 8.603 724 HB2 CYS 104 1HB CYS 104 20.120 10.610 8.712 725 HB3 CYS 104 2HB CYS 104 20.140 12.129 7.825 726 HG CYS 104 HG CYS 104 18.688 13.463 9.931 727 H ILE 105 H ILE 105 18.216 12.834 6.001 728 HA ILE 105 HA ILE 105 17.363 15.204 6.918 729 HB ILE 105 HB ILE 105 16.359 13.917 4.377 730 HG12 ILE 105 1HG1 ILE 105 18.679 15.816 4.748 731 HG13 ILE 105 2HG1 ILE 105 18.864 14.066 4.719 732 HG21 ILE 105 1HG2 ILE 105 16.682 16.854 4.661 733 HG22 ILE 105 2HG2 ILE 105 15.552 15.929 3.673 734 HG23 ILE 105 3HG2 ILE 105 15.272 16.101 5.406 735 HD11 ILE 105 3HD1 ILE 105 17.544 15.531 2.468 736 HD12 ILE 105 1HD1 ILE 105 19.296 15.363 2.564 737 HD13 ILE 105 2HD1 ILE 105 18.276 13.927 2.471 738 H SER 106 H SER 106 15.060 12.751 5.722 739 HA SER 106 HA SER 106 12.993 14.011 7.398 740 HB2 SER 106 1HB SER 106 12.560 13.977 4.940 741 HB3 SER 106 2HB SER 106 12.592 12.215 4.994 742 HG SER 106 HG SER 106 10.718 12.191 6.050 743 H GLY 107 H GLY 107 13.344 12.920 9.313 744 HA2 GLY 107 1HA GLY 107 12.000 10.676 9.948 745 HA3 GLY 107 2HA GLY 107 13.515 10.026 9.338 746 HA PRO 108 HA PRO 108 14.417 10.430 13.741 747 HB2 PRO 108 1HB PRO 108 16.534 8.732 13.682 748 HB3 PRO 108 2HB PRO 108 14.858 8.175 13.755 749 HG2 PRO 108 1HG PRO 108 16.683 8.384 11.392 750 HG3 PRO 108 2HG PRO 108 15.566 7.079 11.830 751 HD2 PRO 108 1HD PRO 108 14.966 8.943 9.961 752 HD3 PRO 108 2HD PRO 108 13.732 8.199 10.997 753 H SER 109 H SER 109 16.651 10.735 14.864 754 HA SER 109 HA SER 109 18.193 12.675 13.269 755 HB2 SER 109 1HB SER 109 16.898 13.634 15.186 756 HB3 SER 109 2HB SER 109 17.862 12.640 16.278 757 HG SER 109 HG SER 109 19.685 13.774 15.004 758 H SER 110 H SER 110 18.839 9.990 13.106 759 HA SER 110 HA SER 110 21.249 9.749 14.779 760 HB2 SER 110 1HB SER 110 19.354 7.924 14.688 761 HB3 SER 110 2HB SER 110 20.158 7.456 13.190 762 HG SER 110 HG SER 110 21.972 6.962 14.304 763 H GLY 111 H GLY 111 21.331 11.472 12.595 764 HA2 GLY 111 1HA GLY 111 22.364 10.178 10.264 765 HA3 GLY 111 2HA GLY 111 22.438 11.898 10.618 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -30.980 -5.748 -7.785 2 HA2 GLY 1 1HA GLY 1 -30.900 -8.466 -6.627 3 HA3 GLY 1 2HA GLY 1 -29.516 -7.385 -6.569 4 H SER 2 H SER 2 -29.370 -5.893 -4.970 5 HA SER 2 HA SER 2 -31.624 -5.056 -3.420 6 HB2 SER 2 1HB SER 2 -30.908 -6.035 -1.277 7 HB3 SER 2 2HB SER 2 -31.307 -7.290 -2.450 8 HG SER 2 HG SER 2 -29.354 -7.759 -1.390 9 H SER 3 H SER 3 -31.128 -2.972 -3.274 10 HA SER 3 HA SER 3 -28.552 -1.887 -3.408 11 HB2 SER 3 1HB SER 3 -29.646 0.214 -2.559 12 HB3 SER 3 2HB SER 3 -30.452 -0.513 -3.949 13 HG SER 3 HG SER 3 -32.168 -0.609 -2.761 14 H GLY 4 H GLY 4 -26.964 -1.787 -1.968 15 HA2 GLY 4 1HA GLY 4 -27.625 -2.284 0.862 16 HA3 GLY 4 2HA GLY 4 -26.077 -2.642 0.111 17 H SER 5 H SER 5 -27.143 -0.847 2.411 18 HA SER 5 HA SER 5 -26.498 1.819 1.708 19 HB2 SER 5 1HB SER 5 -27.878 1.113 3.695 20 HB3 SER 5 2HB SER 5 -26.382 0.604 4.476 21 HG SER 5 HG SER 5 -25.650 2.750 4.334 22 H SER 6 H SER 6 -24.517 1.943 0.705 23 HA SER 6 HA SER 6 -22.178 1.178 2.325 24 HB2 SER 6 1HB SER 6 -22.515 1.406 -0.669 25 HB3 SER 6 2HB SER 6 -20.940 1.255 0.111 26 HG SER 6 HG SER 6 -21.858 -0.702 1.105 27 H GLY 7 H GLY 7 -20.180 2.582 1.597 28 HA2 GLY 7 1HA GLY 7 -20.219 5.112 0.654 29 HA3 GLY 7 2HA GLY 7 -20.890 5.306 2.267 30 H ALA 8 H ALA 8 -18.053 4.318 0.441 31 HA ALA 8 HA ALA 8 -15.838 4.279 0.959 32 HB1 ALA 8 3HB ALA 8 -16.454 6.636 1.663 33 HB2 ALA 8 1HB ALA 8 -16.488 6.026 3.318 34 HB3 ALA 8 2HB ALA 8 -14.993 5.957 2.382 35 H ASN 9 H ASN 9 -17.644 2.284 2.116 36 HA ASN 9 HA ASN 9 -16.847 1.713 4.784 37 HB2 ASN 9 1HB ASN 9 -18.314 0.237 2.637 38 HB3 ASN 9 2HB ASN 9 -17.717 -0.665 4.027 39 HD21 ASN 9 1HD2 ASN 9 -20.437 -0.282 3.297 40 HD22 ASN 9 2HD2 ASN 9 -21.201 0.583 4.583 41 H CYS 10 H CYS 10 -15.366 0.227 5.566 42 HA CYS 10 HA CYS 10 -12.912 0.019 4.331 43 HB2 CYS 10 1HB CYS 10 -13.323 -0.408 6.736 44 HB3 CYS 10 2HB CYS 10 -14.083 -1.940 6.317 45 H ALA 11 H ALA 11 -12.127 -1.135 2.700 46 HA ALA 11 HA ALA 11 -13.778 -2.997 1.291 47 HB1 ALA 11 3HB ALA 11 -10.894 -2.212 0.901 48 HB2 ALA 11 1HB ALA 11 -11.812 -3.243 -0.196 49 HB3 ALA 11 2HB ALA 11 -12.296 -1.565 0.050 50 H VAL 12 H VAL 12 -12.278 -3.416 4.099 51 HA VAL 12 HA VAL 12 -11.468 -6.187 3.502 52 HB VAL 12 HB VAL 12 -10.559 -4.575 5.884 53 HG11 VAL 12 1HG1 VAL 12 -9.751 -6.523 6.577 54 HG12 VAL 12 2HG1 VAL 12 -10.324 -7.319 5.110 55 HG13 VAL 12 3HG1 VAL 12 -8.723 -6.579 5.145 56 HG21 VAL 12 3HG2 VAL 12 -8.350 -4.792 4.330 57 HG22 VAL 12 1HG2 VAL 12 -9.599 -4.573 3.105 58 HG23 VAL 12 2HG2 VAL 12 -9.393 -3.371 4.379 59 H CYS 13 H CYS 13 -13.188 -4.073 5.736 60 HA CYS 13 HA CYS 13 -14.553 -6.450 6.819 61 HB2 CYS 13 1HB CYS 13 -14.627 -5.483 8.984 62 HB3 CYS 13 2HB CYS 13 -12.970 -5.276 8.426 63 H ASP 14 H ASP 14 -15.126 -4.405 4.627 64 HA ASP 14 HA ASP 14 -16.816 -2.952 3.984 65 HB2 ASP 14 1HB ASP 14 -17.622 -5.196 3.434 66 HB3 ASP 14 2HB ASP 14 -18.322 -5.354 5.042 67 H SER 15 H SER 15 -15.943 -2.136 6.487 68 HA SER 15 HA SER 15 -18.470 -1.243 7.702 69 HB2 SER 15 1HB SER 15 -16.947 -3.011 8.987 70 HB3 SER 15 2HB SER 15 -16.071 -1.552 9.448 71 HG SER 15 HG SER 15 -18.874 -1.827 9.742 72 HA PRO 16 HA PRO 16 -16.859 2.808 7.088 73 HB2 PRO 16 1HB PRO 16 -18.392 4.144 8.886 74 HB3 PRO 16 2HB PRO 16 -19.021 3.540 7.349 75 HG2 PRO 16 1HG PRO 16 -19.234 2.343 10.085 76 HG3 PRO 16 2HG PRO 16 -20.475 2.484 8.825 77 HD2 PRO 16 1HD PRO 16 -19.117 0.186 9.283 78 HD3 PRO 16 2HD PRO 16 -19.686 0.653 7.668 79 H GLY 17 H GLY 17 -17.430 2.009 10.527 80 HA2 GLY 17 1HA GLY 17 -16.239 2.611 12.411 81 HA3 GLY 17 2HA GLY 17 -14.880 2.019 11.467 82 H ASP 18 H ASP 18 -13.257 3.396 11.280 83 HA ASP 18 HA ASP 18 -13.823 6.272 11.543 84 HB2 ASP 18 1HB ASP 18 -11.400 4.618 12.227 85 HB3 ASP 18 2HB ASP 18 -11.304 6.369 12.060 86 H LEU 19 H LEU 19 -13.544 7.535 9.831 87 HA LEU 19 HA LEU 19 -12.383 6.419 7.414 88 HB2 LEU 19 1HB LEU 19 -13.862 8.967 8.012 89 HB3 LEU 19 2HB LEU 19 -13.135 8.637 6.441 90 HG LEU 19 HG LEU 19 -15.159 6.780 7.657 91 HD11 LEU 19 1HD1 LEU 19 -16.933 7.986 6.881 92 HD12 LEU 19 2HD1 LEU 19 -15.978 8.814 5.650 93 HD13 LEU 19 3HD1 LEU 19 -15.855 9.305 7.340 94 HD21 LEU 19 3HD2 LEU 19 -14.907 5.644 5.766 95 HD22 LEU 19 1HD2 LEU 19 -13.559 6.706 5.361 96 HD23 LEU 19 2HD2 LEU 19 -15.186 7.093 4.799 97 H LEU 20 H LEU 20 -11.898 9.270 9.485 98 HA LEU 20 HA LEU 20 -9.645 10.259 8.113 99 HB2 LEU 20 1HB LEU 20 -10.821 10.675 10.820 100 HB3 LEU 20 2HB LEU 20 -9.206 11.296 10.486 101 HG LEU 20 HG LEU 20 -10.812 13.058 10.189 102 HD11 LEU 20 1HD1 LEU 20 -8.988 12.231 8.252 103 HD12 LEU 20 2HD1 LEU 20 -9.684 13.839 8.445 104 HD13 LEU 20 3HD1 LEU 20 -10.442 12.676 7.358 105 HD21 LEU 20 3HD2 LEU 20 -12.652 12.937 8.659 106 HD22 LEU 20 1HD2 LEU 20 -12.755 11.562 9.759 107 HD23 LEU 20 2HD2 LEU 20 -12.158 11.333 8.115 108 H ASP 21 H ASP 21 -10.037 7.719 10.424 109 HA ASP 21 HA ASP 21 -7.261 7.607 11.184 110 HB2 ASP 21 1HB ASP 21 -8.987 6.864 12.748 111 HB3 ASP 21 2HB ASP 21 -9.509 5.628 11.608 112 H GLN 22 H GLN 22 -9.371 5.966 8.900 113 HA GLN 22 HA GLN 22 -7.308 4.096 8.112 114 HB2 GLN 22 1HB GLN 22 -8.926 3.060 6.783 115 HB3 GLN 22 2HB GLN 22 -9.846 3.656 8.158 116 HG2 GLN 22 1HG GLN 22 -10.745 5.442 6.908 117 HG3 GLN 22 2HG GLN 22 -9.604 5.188 5.588 118 HE21 GLN 22 1HE2 GLN 22 -12.703 4.943 6.257 119 HE22 GLN 22 2HE2 GLN 22 -13.146 3.561 5.320 120 H PHE 23 H PHE 23 -6.315 4.014 6.075 121 HA PHE 23 HA PHE 23 -5.713 6.580 4.955 122 HB2 PHE 23 1HB PHE 23 -4.923 3.858 3.903 123 HB3 PHE 23 2HB PHE 23 -4.153 5.398 3.537 124 HD1 PHE 23 HD2 PHE 23 -4.768 2.934 6.221 125 HD2 PHE 23 HD1 PHE 23 -2.480 6.283 4.931 126 HE1 PHE 23 HE2 PHE 23 -3.226 2.605 8.110 127 HE2 PHE 23 HE1 PHE 23 -0.934 5.958 6.817 128 HZ PHE 23 HZ PHE 23 -1.307 4.118 8.411 129 H PHE 24 H PHE 24 -5.908 7.124 2.685 130 HA PHE 24 HA PHE 24 -8.152 5.788 1.331 131 HB2 PHE 24 1HB PHE 24 -9.302 7.662 1.977 132 HB3 PHE 24 2HB PHE 24 -7.850 8.653 2.067 133 HD1 PHE 24 HD1 PHE 24 -9.941 6.890 -0.469 134 HD2 PHE 24 HD2 PHE 24 -7.549 10.282 0.478 135 HE1 PHE 24 HE1 PHE 24 -10.490 7.882 -2.652 136 HE2 PHE 24 HE2 PHE 24 -8.096 11.280 -1.704 137 HZ PHE 24 HZ PHE 24 -9.568 10.080 -3.272 138 H CYS 25 H CYS 25 -7.182 4.836 -0.352 139 HA CYS 25 HA CYS 25 -4.834 5.550 -1.607 140 HB2 CYS 25 1HB CYS 25 -6.180 3.414 -1.899 141 HB3 CYS 25 2HB CYS 25 -7.172 4.301 -3.051 142 H THR 26 H THR 26 -4.300 6.716 -3.454 143 HA THR 26 HA THR 26 -6.212 8.835 -4.137 144 HB THR 26 HB THR 26 -4.284 10.081 -5.009 145 HG1 THR 26 HG1 THR 26 -3.019 7.637 -4.535 146 HG21 THR 26 3HG2 THR 26 -3.668 10.845 -2.967 147 HG22 THR 26 1HG2 THR 26 -3.255 9.238 -2.372 148 HG23 THR 26 2HG2 THR 26 -4.940 9.756 -2.415 149 H THR 27 H THR 27 -4.759 6.023 -5.387 150 HA THR 27 HA THR 27 -4.954 6.788 -8.168 151 HB THR 27 HB THR 27 -4.417 4.076 -6.940 152 HG1 THR 27 HG1 THR 27 -2.477 5.651 -8.233 153 HG21 THR 27 3HG2 THR 27 -3.304 3.966 -9.382 154 HG22 THR 27 1HG2 THR 27 -4.661 5.037 -9.728 155 HG23 THR 27 2HG2 THR 27 -4.952 3.435 -9.051 156 H CYS 28 H CYS 28 -6.390 4.072 -6.350 157 HA CYS 28 HA CYS 28 -8.579 3.929 -8.238 158 HB2 CYS 28 1HB CYS 28 -9.251 1.941 -7.040 159 HB3 CYS 28 2HB CYS 28 -7.510 1.886 -7.297 160 H GLY 29 H GLY 29 -8.081 4.830 -4.858 161 HA2 GLY 29 1HA GLY 29 -9.355 6.536 -3.799 162 HA3 GLY 29 2HA GLY 29 -10.663 6.222 -4.930 163 H GLN 30 H GLN 30 -8.983 3.666 -3.237 164 HA GLN 30 HA GLN 30 -11.495 2.952 -1.928 165 HB2 GLN 30 1HB GLN 30 -8.977 1.466 -2.582 166 HB3 GLN 30 2HB GLN 30 -10.058 0.852 -1.338 167 HG2 GLN 30 1HG GLN 30 -11.222 1.572 -3.971 168 HG3 GLN 30 2HG GLN 30 -10.256 0.102 -3.856 169 HE21 GLN 30 1HE2 GLN 30 -13.181 1.694 -2.915 170 HE22 GLN 30 2HE2 GLN 30 -13.968 0.309 -2.246 171 H HIS 31 H HIS 31 -11.463 2.209 0.314 172 HA HIS 31 HA HIS 31 -9.433 3.619 1.920 173 HB2 HIS 31 1HB HIS 31 -12.181 3.137 2.993 174 HB3 HIS 31 2HB HIS 31 -11.035 4.416 3.386 175 HD1 HIS 31 HD1 HIS 31 -14.007 3.739 1.418 176 HD2 HIS 31 HD2 HIS 31 -10.842 6.424 1.247 177 HE1 HIS 31 HE1 HIS 31 -14.773 5.585 -0.108 178 HE2 HIS 31 HE2 HIS 31 -12.810 7.155 -0.264 179 H TYR 32 H TYR 32 -8.443 2.500 3.504 180 HA TYR 32 HA TYR 32 -9.537 -0.111 4.279 181 HB2 TYR 32 1HB TYR 32 -6.674 0.401 3.446 182 HB3 TYR 32 2HB TYR 32 -7.268 -1.099 4.149 183 HD1 TYR 32 HD2 TYR 32 -7.569 1.131 1.203 184 HD2 TYR 32 HD1 TYR 32 -8.294 -2.744 2.804 185 HE1 TYR 32 HE2 TYR 32 -8.153 0.318 -1.044 186 HE2 TYR 32 HE1 TYR 32 -8.878 -3.568 0.561 187 HH TYR 32 HH TYR 32 -9.414 -1.476 -2.083 188 H HIS 33 H HIS 33 -9.505 -0.448 6.408 189 HA HIS 33 HA HIS 33 -8.752 1.549 8.222 190 HB2 HIS 33 1HB HIS 33 -9.525 -1.333 8.490 191 HB3 HIS 33 2HB HIS 33 -8.915 -0.466 9.897 192 HD2 HIS 33 HD2 HIS 33 -10.555 2.368 9.349 193 HE1 HIS 33 HE1 HIS 33 -13.972 -0.133 9.596 194 HE2 HIS 33 HE2 HIS 33 -13.125 2.238 9.607 195 H GLY 34 H GLY 34 -7.172 1.320 10.009 196 HA2 GLY 34 1HA GLY 34 -4.578 0.662 8.915 197 HA3 GLY 34 2HA GLY 34 -4.897 1.413 10.471 198 H MET 35 H MET 35 -6.868 -0.849 11.008 199 HA MET 35 HA MET 35 -4.860 -2.684 12.075 200 HB2 MET 35 1HB MET 35 -6.548 -1.731 13.610 201 HB3 MET 35 2HB MET 35 -7.819 -2.496 12.667 202 HG2 MET 35 1HG MET 35 -6.548 -4.687 13.169 203 HG3 MET 35 2HG MET 35 -5.778 -3.751 14.448 204 HE1 MET 35 3HE MET 35 -8.301 -5.830 13.251 205 HE2 MET 35 1HE MET 35 -9.389 -6.094 14.615 206 HE3 MET 35 2HE MET 35 -9.778 -4.877 13.399 207 H CYS 36 H CYS 36 -7.832 -2.715 10.143 208 HA CYS 36 HA CYS 36 -8.108 -5.433 9.731 209 HB2 CYS 36 1HB CYS 36 -8.747 -3.063 7.990 210 HB3 CYS 36 2HB CYS 36 -9.090 -4.705 7.458 211 H LEU 37 H LEU 37 -5.792 -3.225 8.373 212 HA LEU 37 HA LEU 37 -4.782 -5.340 6.597 213 HB2 LEU 37 1HB LEU 37 -4.670 -2.363 6.529 214 HB3 LEU 37 2HB LEU 37 -3.370 -3.280 5.769 215 HG LEU 37 HG LEU 37 -6.300 -3.418 5.058 216 HD11 LEU 37 1HD1 LEU 37 -4.088 -2.473 3.281 217 HD12 LEU 37 2HD1 LEU 37 -4.863 -1.370 4.417 218 HD13 LEU 37 3HD1 LEU 37 -5.821 -2.167 3.169 219 HD21 LEU 37 3HD2 LEU 37 -5.103 -4.656 3.039 220 HD22 LEU 37 1HD2 LEU 37 -5.645 -5.518 4.479 221 HD23 LEU 37 2HD2 LEU 37 -3.949 -5.065 4.308 222 H ASP 38 H ASP 38 -4.256 -4.001 9.581 223 HA ASP 38 HA ASP 38 -2.594 -4.284 11.116 224 HB2 ASP 38 1HB ASP 38 -1.002 -5.769 9.030 225 HB3 ASP 38 2HB ASP 38 -0.912 -5.925 10.782 226 H ILE 39 H ILE 39 -2.704 -2.017 9.343 227 HA ILE 39 HA ILE 39 0.132 -1.346 8.989 228 HB ILE 39 HB ILE 39 -2.288 0.159 7.991 229 HG12 ILE 39 1HG1 ILE 39 -0.396 -1.620 6.441 230 HG13 ILE 39 2HG1 ILE 39 -1.996 -2.114 6.983 231 HG21 ILE 39 1HG2 ILE 39 0.264 0.569 6.650 232 HG22 ILE 39 2HG2 ILE 39 -0.910 1.745 7.237 233 HG23 ILE 39 3HG2 ILE 39 0.281 1.063 8.343 234 HD11 ILE 39 3HD1 ILE 39 -2.187 -1.497 4.713 235 HD12 ILE 39 1HD1 ILE 39 -2.921 -0.200 5.654 236 HD13 ILE 39 2HD1 ILE 39 -1.306 0.008 4.976 237 H ALA 40 H ALA 40 1.105 0.249 10.123 238 HA ALA 40 HA ALA 40 -0.310 1.295 12.428 239 HB1 ALA 40 3HB ALA 40 2.065 0.361 12.448 240 HB2 ALA 40 1HB ALA 40 2.543 1.888 11.706 241 HB3 ALA 40 2HB ALA 40 1.786 1.880 13.299 242 H VAL 41 H VAL 41 -1.360 3.160 12.378 243 HA VAL 41 HA VAL 41 -1.299 4.958 10.219 244 HB VAL 41 HB VAL 41 -2.264 5.428 13.044 245 HG11 VAL 41 1HG1 VAL 41 -2.009 7.559 12.087 246 HG12 VAL 41 2HG1 VAL 41 -2.593 7.014 10.513 247 HG13 VAL 41 3HG1 VAL 41 -3.713 7.160 11.868 248 HG21 VAL 41 3HG2 VAL 41 -3.277 3.530 11.653 249 HG22 VAL 41 1HG2 VAL 41 -4.384 4.714 12.349 250 HG23 VAL 41 2HG2 VAL 41 -3.955 4.805 10.641 251 H THR 42 H THR 42 0.678 5.794 9.727 252 HA THR 42 HA THR 42 2.016 7.378 11.823 253 HB THR 42 HB THR 42 4.078 7.155 10.389 254 HG1 THR 42 HG1 THR 42 2.501 6.263 8.606 255 HG21 THR 42 3HG2 THR 42 4.461 5.705 12.053 256 HG22 THR 42 1HG2 THR 42 3.979 4.448 10.915 257 HG23 THR 42 2HG2 THR 42 2.798 5.121 12.038 258 HA PRO 43 HA PRO 43 1.393 11.054 9.504 259 HB2 PRO 43 1HB PRO 43 3.664 12.431 10.065 260 HB3 PRO 43 2HB PRO 43 2.374 12.182 11.248 261 HG2 PRO 43 1HG PRO 43 4.957 10.705 10.922 262 HG3 PRO 43 2HG PRO 43 4.171 11.269 12.408 263 HD2 PRO 43 1HD PRO 43 4.032 8.697 11.572 264 HD3 PRO 43 2HD PRO 43 2.714 9.484 12.464 265 H LEU 44 H LEU 44 3.519 8.742 8.551 266 HA LEU 44 HA LEU 44 4.656 10.323 6.357 267 HB2 LEU 44 1HB LEU 44 6.135 8.893 7.786 268 HB3 LEU 44 2HB LEU 44 5.299 7.485 7.135 269 HG LEU 44 HG LEU 44 6.960 9.450 5.557 270 HD11 LEU 44 1HD1 LEU 44 8.604 7.769 5.412 271 HD12 LEU 44 2HD1 LEU 44 7.532 6.550 6.100 272 HD13 LEU 44 3HD1 LEU 44 8.154 7.851 7.115 273 HD21 LEU 44 3HD2 LEU 44 5.189 7.183 4.782 274 HD22 LEU 44 1HD2 LEU 44 6.670 7.464 3.865 275 HD23 LEU 44 2HD2 LEU 44 5.453 8.735 3.985 276 H LYS 45 H LYS 45 2.967 7.244 6.933 277 HA LYS 45 HA LYS 45 2.523 6.620 4.226 278 HB2 LYS 45 1HB LYS 45 1.520 5.680 6.835 279 HB3 LYS 45 2HB LYS 45 0.429 5.417 5.481 280 HG2 LYS 45 1HG LYS 45 1.973 4.056 4.357 281 HG3 LYS 45 2HG LYS 45 3.310 4.587 5.380 282 HD2 LYS 45 1HD LYS 45 1.035 3.313 6.767 283 HD3 LYS 45 2HD LYS 45 1.999 2.262 5.727 284 HE2 LYS 45 1HE LYS 45 4.028 3.276 6.934 285 HE3 LYS 45 2HE LYS 45 2.862 3.843 8.128 286 HZ1 LYS 45 3HZ LYS 45 3.833 1.163 7.621 287 HZ2 LYS 45 1HZ LYS 45 2.167 1.275 7.892 288 HZ3 LYS 45 2HZ LYS 45 3.253 1.853 9.052 289 H ARG 46 H ARG 46 0.271 8.000 6.626 290 HA ARG 46 HA ARG 46 -1.954 8.417 5.165 291 HB2 ARG 46 1HB ARG 46 -0.672 10.411 7.041 292 HB3 ARG 46 2HB ARG 46 -2.339 10.489 6.486 293 HG2 ARG 46 1HG ARG 46 -2.922 8.522 7.653 294 HG3 ARG 46 2HG ARG 46 -1.232 8.120 7.962 295 HD2 ARG 46 1HD ARG 46 -1.974 8.984 9.995 296 HD3 ARG 46 2HD ARG 46 -1.149 10.347 9.238 297 HE ARG 46 HE ARG 46 -3.991 10.086 9.744 298 HH11 ARG 46 2HH1 ARG 46 -1.454 11.801 8.087 299 HH12 ARG 46 1HH1 ARG 46 -2.405 13.228 7.836 300 HH21 ARG 46 2HH2 ARG 46 -5.252 11.958 9.420 301 HH22 ARG 46 1HH2 ARG 46 -4.565 13.316 8.595 302 H ALA 47 H ALA 47 1.049 10.213 4.884 303 HA ALA 47 HA ALA 47 0.077 12.277 3.208 304 HB1 ALA 47 3HB ALA 47 2.341 12.001 4.538 305 HB2 ALA 47 1HB ALA 47 2.902 11.378 2.986 306 HB3 ALA 47 2HB ALA 47 2.237 13.008 3.093 307 H GLY 48 H GLY 48 -1.249 11.076 1.706 308 HA2 GLY 48 1HA GLY 48 -1.589 10.381 -0.468 309 HA3 GLY 48 2HA GLY 48 0.144 10.507 -0.730 310 H TRP 49 H TRP 49 -1.625 8.527 1.620 311 HA TRP 49 HA TRP 49 -0.051 6.241 1.157 312 HB2 TRP 49 1HB TRP 49 -1.223 6.522 3.254 313 HB3 TRP 49 2HB TRP 49 -2.779 6.526 2.429 314 HD1 TRP 49 HD1 TRP 49 0.021 4.152 3.525 315 HE1 TRP 49 HE1 TRP 49 -0.877 1.741 3.461 316 HE3 TRP 49 HE3 TRP 49 -4.507 5.031 1.321 317 HZ2 TRP 49 HZ2 TRP 49 -3.198 0.390 2.591 318 HZ3 TRP 49 HZ3 TRP 49 -6.007 3.125 0.907 319 HH2 TRP 49 HH2 TRP 49 -5.364 0.853 1.529 320 H GLN 50 H GLN 50 -0.241 4.553 -0.206 321 HA GLN 50 HA GLN 50 -2.543 4.562 -2.045 322 HB2 GLN 50 1HB GLN 50 0.004 4.966 -2.786 323 HB3 GLN 50 2HB GLN 50 -0.025 3.209 -2.843 324 HG2 GLN 50 1HG GLN 50 -1.873 3.257 -4.401 325 HG3 GLN 50 2HG GLN 50 -1.944 5.015 -4.296 326 HE21 GLN 50 1HE2 GLN 50 -1.028 2.626 -6.238 327 HE22 GLN 50 2HE2 GLN 50 0.293 3.370 -7.067 328 H CYS 51 H CYS 51 -3.838 2.858 -1.950 329 HA CYS 51 HA CYS 51 -3.620 0.781 -0.156 330 HB2 CYS 51 1HB CYS 51 -5.501 -0.148 -1.162 331 HB3 CYS 51 2HB CYS 51 -5.616 1.540 -1.648 332 HA PRO 52 HA PRO 52 -0.785 -2.174 -1.729 333 HB2 PRO 52 1HB PRO 52 -1.991 -4.520 -1.087 334 HB3 PRO 52 2HB PRO 52 -1.255 -3.458 0.118 335 HG2 PRO 52 1HG PRO 52 -4.134 -3.742 -0.649 336 HG3 PRO 52 2HG PRO 52 -3.416 -3.595 0.966 337 HD2 PRO 52 1HD PRO 52 -4.572 -1.506 -0.310 338 HD3 PRO 52 2HD PRO 52 -3.200 -1.307 0.799 339 H GLU 53 H GLU 53 -3.939 -1.953 -3.000 340 HA GLU 53 HA GLU 53 -3.529 -3.997 -5.027 341 HB2 GLU 53 1HB GLU 53 -5.820 -2.060 -4.652 342 HB3 GLU 53 2HB GLU 53 -5.787 -3.407 -5.782 343 HG2 GLU 53 1HG GLU 53 -5.326 -3.991 -2.912 344 HG3 GLU 53 2HG GLU 53 -6.961 -3.580 -3.426 345 H CYS 54 H CYS 54 -2.947 -0.676 -4.601 346 HA CYS 54 HA CYS 54 -2.663 -0.293 -7.509 347 HB2 CYS 54 1HB CYS 54 -3.229 1.690 -5.306 348 HB3 CYS 54 2HB CYS 54 -2.730 2.180 -6.921 349 H LYS 55 H LYS 55 -1.076 -0.269 -4.441 350 HA LYS 55 HA LYS 55 1.223 1.222 -5.174 351 HB2 LYS 55 1HB LYS 55 1.138 1.082 -2.903 352 HB3 LYS 55 2HB LYS 55 0.418 -0.523 -2.922 353 HG2 LYS 55 1HG LYS 55 2.682 -1.399 -3.606 354 HG3 LYS 55 2HG LYS 55 3.315 0.207 -3.237 355 HD2 LYS 55 1HD LYS 55 2.995 -0.036 -0.983 356 HD3 LYS 55 2HD LYS 55 1.639 -1.147 -1.185 357 HE2 LYS 55 1HE LYS 55 2.993 -2.976 -1.394 358 HE3 LYS 55 2HE LYS 55 4.323 -2.048 -2.085 359 HZ1 LYS 55 3HZ LYS 55 4.161 -2.935 0.481 360 HZ2 LYS 55 1HZ LYS 55 3.744 -1.301 0.618 361 HZ3 LYS 55 2HZ LYS 55 5.217 -1.742 -0.086 362 H VAL 56 H VAL 56 3.172 0.595 -5.995 363 HA VAL 56 HA VAL 56 3.816 -2.189 -6.389 364 HB VAL 56 HB VAL 56 3.950 -2.175 -8.779 365 HG11 VAL 56 1HG1 VAL 56 1.278 -1.022 -7.985 366 HG12 VAL 56 2HG1 VAL 56 1.616 -2.034 -9.390 367 HG13 VAL 56 3HG1 VAL 56 1.760 -2.704 -7.765 368 HG21 VAL 56 3HG2 VAL 56 3.454 0.738 -8.453 369 HG22 VAL 56 1HG2 VAL 56 4.569 -0.108 -9.526 370 HG23 VAL 56 2HG2 VAL 56 2.849 -0.052 -9.909 371 H CYS 57 H CYS 57 5.934 -2.394 -7.627 372 HA CYS 57 HA CYS 57 7.924 -0.933 -6.354 373 HB2 CYS 57 1HB CYS 57 8.265 -3.134 -7.442 374 HB3 CYS 57 2HB CYS 57 8.136 -2.355 -9.016 375 H GLN 58 H GLN 58 8.733 1.037 -6.635 376 HA GLN 58 HA GLN 58 7.802 2.651 -8.856 377 HB2 GLN 58 1HB GLN 58 9.456 3.301 -6.415 378 HB3 GLN 58 2HB GLN 58 9.042 4.483 -7.650 379 HG2 GLN 58 1HG GLN 58 7.116 2.969 -5.902 380 HG3 GLN 58 2HG GLN 58 7.546 4.674 -5.768 381 HE21 GLN 58 1HE2 GLN 58 4.934 3.504 -6.144 382 HE22 GLN 58 2HE2 GLN 58 4.315 4.140 -7.626 383 H ASN 59 H ASN 59 10.278 0.544 -8.455 384 HA ASN 59 HA ASN 59 12.317 2.097 -9.828 385 HB2 ASN 59 1HB ASN 59 12.464 -0.841 -9.169 386 HB3 ASN 59 2HB ASN 59 13.791 0.292 -9.409 387 HD21 ASN 59 1HD2 ASN 59 14.287 1.777 -7.774 388 HD22 ASN 59 2HD2 ASN 59 13.768 1.532 -6.145 389 H CYS 60 H CYS 60 10.531 -0.935 -10.401 390 HA CYS 60 HA CYS 60 11.131 -0.667 -13.266 391 HB2 CYS 60 1HB CYS 60 10.646 -3.032 -13.464 392 HB3 CYS 60 2HB CYS 60 11.804 -2.788 -12.160 393 H LYS 61 H LYS 61 8.803 0.221 -11.204 394 HA LYS 61 HA LYS 61 6.561 0.629 -11.317 395 HB2 LYS 61 1HB LYS 61 7.349 0.837 -14.224 396 HB3 LYS 61 2HB LYS 61 5.758 1.288 -13.623 397 HG2 LYS 61 1HG LYS 61 8.327 2.496 -12.626 398 HG3 LYS 61 2HG LYS 61 7.345 3.187 -13.920 399 HD2 LYS 61 1HD LYS 61 5.967 2.520 -11.381 400 HD3 LYS 61 2HD LYS 61 7.069 3.899 -11.362 401 HE2 LYS 61 1HE LYS 61 5.051 4.877 -11.938 402 HE3 LYS 61 2HE LYS 61 5.810 4.619 -13.508 403 HZ1 LYS 61 3HZ LYS 61 4.107 3.365 -14.114 404 HZ2 LYS 61 1HZ LYS 61 3.339 3.690 -12.642 405 HZ3 LYS 61 2HZ LYS 61 4.333 2.331 -12.794 406 H GLN 62 H GLN 62 6.796 -1.940 -10.864 407 HA GLN 62 HA GLN 62 4.636 -3.107 -12.427 408 HB2 GLN 62 1HB GLN 62 7.375 -4.334 -12.162 409 HB3 GLN 62 2HB GLN 62 5.950 -5.293 -12.534 410 HG2 GLN 62 1HG GLN 62 5.648 -3.501 -14.433 411 HG3 GLN 62 2HG GLN 62 7.383 -3.295 -14.200 412 HE21 GLN 62 1HE2 GLN 62 6.137 -4.255 -16.551 413 HE22 GLN 62 2HE2 GLN 62 6.664 -5.881 -16.802 414 H SER 63 H SER 63 3.718 -5.036 -11.404 415 HA SER 63 HA SER 63 4.184 -5.045 -8.493 416 HB2 SER 63 1HB SER 63 1.851 -5.396 -8.126 417 HB3 SER 63 2HB SER 63 1.977 -4.073 -9.285 418 HG SER 63 HG SER 63 1.869 -6.098 -10.811 419 H GLY 64 H GLY 64 5.256 -6.734 -10.780 420 HA2 GLY 64 1HA GLY 64 4.181 -9.287 -10.808 421 HA3 GLY 64 2HA GLY 64 5.885 -8.927 -11.037 422 H GLU 65 H GLU 65 7.295 -9.592 -9.535 423 HA GLU 65 HA GLU 65 6.731 -11.452 -7.628 424 HB2 GLU 65 1HB GLU 65 8.946 -9.434 -7.819 425 HB3 GLU 65 2HB GLU 65 8.868 -10.550 -6.463 426 HG2 GLU 65 1HG GLU 65 9.103 -11.254 -9.378 427 HG3 GLU 65 2HG GLU 65 10.337 -11.438 -8.132 428 H ASP 66 H ASP 66 5.392 -11.380 -5.959 429 HA ASP 66 HA ASP 66 4.956 -8.843 -4.564 430 HB2 ASP 66 1HB ASP 66 3.090 -10.240 -3.444 431 HB3 ASP 66 2HB ASP 66 2.887 -9.779 -5.132 432 H SER 67 H SER 67 5.778 -12.230 -3.899 433 HA SER 67 HA SER 67 6.061 -12.020 -1.127 434 HB2 SER 67 1HB SER 67 5.998 -14.200 -2.088 435 HB3 SER 67 2HB SER 67 7.369 -13.852 -3.141 436 HG SER 67 HG SER 67 8.646 -14.435 -1.588 437 H LYS 68 H LYS 68 8.669 -12.033 -3.564 438 HA LYS 68 HA LYS 68 10.732 -11.313 -1.828 439 HB2 LYS 68 1HB LYS 68 10.387 -10.925 -4.799 440 HB3 LYS 68 2HB LYS 68 11.866 -10.483 -3.955 441 HG2 LYS 68 1HG LYS 68 11.697 -12.968 -3.083 442 HG3 LYS 68 2HG LYS 68 10.752 -13.167 -4.560 443 HD2 LYS 68 1HD LYS 68 12.746 -11.922 -5.680 444 HD3 LYS 68 2HD LYS 68 13.630 -12.415 -4.233 445 HE2 LYS 68 1HE LYS 68 12.798 -14.768 -4.719 446 HE3 LYS 68 2HE LYS 68 12.305 -14.157 -6.297 447 HZ1 LYS 68 3HZ LYS 68 14.369 -14.443 -6.999 448 HZ2 LYS 68 1HZ LYS 68 14.851 -14.992 -5.473 449 HZ3 LYS 68 2HZ LYS 68 14.937 -13.344 -5.845 450 H MET 69 H MET 69 8.497 -9.319 -3.692 451 HA MET 69 HA MET 69 9.558 -6.835 -3.567 452 HB2 MET 69 1HB MET 69 7.392 -7.206 -4.554 453 HB3 MET 69 2HB MET 69 6.702 -7.637 -2.995 454 HG2 MET 69 1HG MET 69 7.031 -5.363 -2.203 455 HG3 MET 69 2HG MET 69 7.766 -4.924 -3.743 456 HE1 MET 69 3HE MET 69 5.767 -4.351 -6.135 457 HE2 MET 69 1HE MET 69 5.133 -3.095 -5.070 458 HE3 MET 69 2HE MET 69 6.830 -3.567 -4.965 459 H LEU 70 H LEU 70 10.751 -6.109 -1.901 460 HA LEU 70 HA LEU 70 10.159 -6.611 0.828 461 HB2 LEU 70 1HB LEU 70 12.068 -4.848 -0.639 462 HB3 LEU 70 2HB LEU 70 11.831 -4.613 1.092 463 HG LEU 70 HG LEU 70 12.602 -7.281 -0.056 464 HD11 LEU 70 1HD1 LEU 70 14.166 -5.169 -0.506 465 HD12 LEU 70 2HD1 LEU 70 14.806 -6.767 -0.124 466 HD13 LEU 70 3HD1 LEU 70 14.676 -5.544 1.140 467 HD21 LEU 70 3HD2 LEU 70 13.606 -6.550 2.554 468 HD22 LEU 70 1HD2 LEU 70 12.652 -7.950 2.064 469 HD23 LEU 70 2HD2 LEU 70 11.847 -6.437 2.481 470 H VAL 71 H VAL 71 8.323 -5.857 1.688 471 HA VAL 71 HA VAL 71 7.319 -3.223 0.971 472 HB VAL 71 HB VAL 71 6.178 -5.294 2.853 473 HG11 VAL 71 1HG1 VAL 71 5.204 -3.337 3.585 474 HG12 VAL 71 2HG1 VAL 71 5.247 -2.592 1.986 475 HG13 VAL 71 3HG1 VAL 71 4.065 -3.852 2.341 476 HG21 VAL 71 3HG2 VAL 71 4.805 -6.026 1.123 477 HG22 VAL 71 1HG2 VAL 71 5.083 -4.576 0.159 478 HG23 VAL 71 2HG2 VAL 71 6.358 -5.783 0.324 479 H CYS 72 H CYS 72 8.269 -1.553 1.951 480 HA CYS 72 HA CYS 72 9.665 -1.616 4.366 481 HB2 CYS 72 1HB CYS 72 9.761 0.173 2.573 482 HB3 CYS 72 2HB CYS 72 8.267 0.815 3.247 483 H ASP 73 H ASP 73 9.133 -0.562 6.402 484 HA ASP 73 HA ASP 73 6.332 -1.051 7.136 485 HB2 ASP 73 1HB ASP 73 8.133 -2.295 8.356 486 HB3 ASP 73 2HB ASP 73 8.717 -0.751 8.970 487 H THR 74 H THR 74 8.926 1.330 7.388 488 HA THR 74 HA THR 74 7.508 3.235 8.910 489 HB THR 74 HB THR 74 9.830 3.557 7.006 490 HG1 THR 74 HG1 THR 74 9.512 3.064 9.740 491 HG21 THR 74 3HG2 THR 74 8.276 5.570 8.546 492 HG22 THR 74 1HG2 THR 74 9.107 5.727 6.999 493 HG23 THR 74 2HG2 THR 74 10.030 5.743 8.502 494 H CYS 75 H CYS 75 8.349 3.432 5.445 495 HA CYS 75 HA CYS 75 6.186 5.314 5.011 496 HB2 CYS 75 1HB CYS 75 7.096 5.600 2.804 497 HB3 CYS 75 2HB CYS 75 8.437 5.583 3.945 498 H ASP 76 H ASP 76 7.063 2.031 4.031 499 HA ASP 76 HA ASP 76 5.764 0.278 3.358 500 HB2 ASP 76 1HB ASP 76 4.109 1.385 5.024 501 HB3 ASP 76 2HB ASP 76 3.294 1.973 3.578 502 H LYS 77 H LYS 77 7.003 1.674 1.438 503 HA LYS 77 HA LYS 77 5.108 2.439 -0.624 504 HB2 LYS 77 1HB LYS 77 8.119 2.401 -0.486 505 HB3 LYS 77 2HB LYS 77 7.252 2.773 -1.969 506 HG2 LYS 77 1HG LYS 77 6.835 4.283 0.596 507 HG3 LYS 77 2HG LYS 77 8.025 4.748 -0.623 508 HD2 LYS 77 1HD LYS 77 5.188 4.290 -1.438 509 HD3 LYS 77 2HD LYS 77 5.628 5.801 -0.640 510 HE2 LYS 77 1HE LYS 77 7.298 6.242 -2.347 511 HE3 LYS 77 2HE LYS 77 6.942 4.699 -3.122 512 HZ1 LYS 77 3HZ LYS 77 5.873 6.746 -4.113 513 HZ2 LYS 77 1HZ LYS 77 4.874 6.782 -2.748 514 HZ3 LYS 77 2HZ LYS 77 4.840 5.447 -3.786 515 H GLY 78 H GLY 78 7.972 0.318 -0.771 516 HA2 GLY 78 1HA GLY 78 7.505 -2.100 -1.225 517 HA3 GLY 78 2HA GLY 78 6.365 -1.524 -2.433 518 H TYR 79 H TYR 79 9.423 -2.698 -1.969 519 HA TYR 79 HA TYR 79 10.197 -1.929 -4.670 520 HB2 TYR 79 1HB TYR 79 12.127 -1.599 -2.370 521 HB3 TYR 79 2HB TYR 79 12.388 -1.164 -4.055 522 HD1 TYR 79 HD2 TYR 79 11.095 0.751 -5.036 523 HD2 TYR 79 HD1 TYR 79 11.085 -0.097 -0.866 524 HE1 TYR 79 HE2 TYR 79 10.274 3.024 -4.581 525 HE2 TYR 79 HE1 TYR 79 10.263 2.174 -0.400 526 HH TYR 79 HH TYR 79 10.077 4.606 -2.886 527 H HIS 80 H HIS 80 11.129 -3.561 -5.747 528 HA HIS 80 HA HIS 80 11.320 -6.129 -4.514 529 HB2 HIS 80 1HB HIS 80 12.290 -5.296 -7.254 530 HB3 HIS 80 2HB HIS 80 11.956 -6.937 -6.709 531 HD2 HIS 80 HD2 HIS 80 8.955 -6.362 -5.446 532 HE1 HIS 80 HE1 HIS 80 8.066 -5.044 -9.379 533 HE2 HIS 80 HE2 HIS 80 7.115 -5.734 -7.152 534 H THR 81 H THR 81 13.122 -7.357 -4.055 535 HA THR 81 HA THR 81 15.353 -6.146 -2.994 536 HB THR 81 HB THR 81 16.474 -8.356 -3.125 537 HG1 THR 81 HG1 THR 81 14.146 -9.411 -4.312 538 HG21 THR 81 3HG2 THR 81 15.259 -8.454 -1.226 539 HG22 THR 81 1HG2 THR 81 14.267 -9.590 -2.140 540 HG23 THR 81 2HG2 THR 81 13.785 -7.898 -2.019 541 H PHE 82 H PHE 82 15.091 -7.692 -6.194 542 HA PHE 82 HA PHE 82 17.714 -7.003 -7.014 543 HB2 PHE 82 1HB PHE 82 16.856 -7.559 -9.312 544 HB3 PHE 82 2HB PHE 82 16.610 -8.824 -8.113 545 HD1 PHE 82 HD2 PHE 82 14.960 -6.200 -10.090 546 HD2 PHE 82 HD1 PHE 82 14.426 -9.505 -7.461 547 HE1 PHE 82 HE2 PHE 82 12.559 -6.233 -10.624 548 HE2 PHE 82 HE1 PHE 82 12.024 -9.543 -7.992 549 HZ PHE 82 HZ PHE 82 11.087 -7.905 -9.574 550 H CYS 83 H CYS 83 14.855 -5.190 -6.730 551 HA CYS 83 HA CYS 83 15.705 -3.196 -8.692 552 HB2 CYS 83 1HB CYS 83 13.183 -3.533 -7.070 553 HB3 CYS 83 2HB CYS 83 13.510 -2.093 -8.029 554 H LEU 84 H LEU 84 16.947 -3.798 -5.961 555 HA LEU 84 HA LEU 84 16.759 -1.074 -4.856 556 HB2 LEU 84 1HB LEU 84 17.357 -3.717 -3.564 557 HB3 LEU 84 2HB LEU 84 17.773 -2.189 -2.790 558 HG LEU 84 HG LEU 84 14.995 -3.111 -3.525 559 HD11 LEU 84 1HD1 LEU 84 14.640 -3.291 -1.140 560 HD12 LEU 84 2HD1 LEU 84 16.292 -2.763 -0.827 561 HD13 LEU 84 3HD1 LEU 84 15.997 -4.308 -1.622 562 HD21 LEU 84 3HD2 LEU 84 15.112 -0.728 -3.731 563 HD22 LEU 84 1HD2 LEU 84 15.984 -0.589 -2.205 564 HD23 LEU 84 2HD2 LEU 84 14.300 -1.111 -2.213 565 H GLN 85 H GLN 85 18.700 -0.068 -4.122 566 HA GLN 85 HA GLN 85 21.171 -1.207 -5.240 567 HB2 GLN 85 1HB GLN 85 21.856 1.085 -5.899 568 HB3 GLN 85 2HB GLN 85 20.442 0.511 -6.774 569 HG2 GLN 85 1HG GLN 85 19.080 1.768 -5.006 570 HG3 GLN 85 2HG GLN 85 20.599 2.568 -4.605 571 HE21 GLN 85 1HE2 GLN 85 21.459 4.055 -6.000 572 HE22 GLN 85 2HE2 GLN 85 20.612 4.659 -7.379 573 HA PRO 86 HA PRO 86 22.709 -2.100 -4.630 574 HB2 PRO 86 1HB PRO 86 23.370 -3.895 -2.704 575 HB3 PRO 86 2HB PRO 86 24.458 -2.604 -3.228 576 HG2 PRO 86 1HG PRO 86 22.672 -2.718 -0.828 577 HG3 PRO 86 2HG PRO 86 24.344 -2.139 -0.952 578 HD2 PRO 86 1HD PRO 86 22.220 -0.460 -0.906 579 HD3 PRO 86 2HD PRO 86 23.705 -0.096 -1.808 580 H VAL 87 H VAL 87 22.120 -4.544 -4.574 581 HA VAL 87 HA VAL 87 19.242 -4.692 -4.277 582 HB VAL 87 HB VAL 87 21.314 -6.409 -5.579 583 HG11 VAL 87 1HG1 VAL 87 20.045 -8.024 -4.326 584 HG12 VAL 87 2HG1 VAL 87 18.525 -7.302 -4.859 585 HG13 VAL 87 3HG1 VAL 87 19.571 -8.118 -6.022 586 HG21 VAL 87 3HG2 VAL 87 19.847 -6.168 -7.505 587 HG22 VAL 87 1HG2 VAL 87 18.660 -5.321 -6.513 588 HG23 VAL 87 2HG2 VAL 87 20.234 -4.588 -6.823 589 H MET 88 H MET 88 18.161 -6.421 -3.170 590 HA MET 88 HA MET 88 19.611 -7.259 -0.760 591 HB2 MET 88 1HB MET 88 16.682 -6.906 -1.365 592 HB3 MET 88 2HB MET 88 17.237 -7.772 0.061 593 HG2 MET 88 1HG MET 88 18.037 -4.947 -0.581 594 HG3 MET 88 2HG MET 88 16.647 -5.368 0.417 595 HE1 MET 88 3HE MET 88 16.571 -5.319 2.469 596 HE2 MET 88 1HE MET 88 17.351 -6.668 3.296 597 HE3 MET 88 2HE MET 88 17.876 -5.014 3.616 598 H LYS 89 H LYS 89 20.617 -8.898 -2.277 599 HA LYS 89 HA LYS 89 19.472 -10.950 -3.582 600 HB2 LYS 89 1HB LYS 89 21.976 -10.490 -2.761 601 HB3 LYS 89 2HB LYS 89 21.557 -11.764 -1.624 602 HG2 LYS 89 1HG LYS 89 22.615 -12.773 -3.498 603 HG3 LYS 89 2HG LYS 89 20.899 -13.183 -3.565 604 HD2 LYS 89 1HD LYS 89 21.634 -12.590 -5.774 605 HD3 LYS 89 2HD LYS 89 20.575 -11.313 -5.172 606 HE2 LYS 89 1HE LYS 89 23.538 -11.112 -4.809 607 HE3 LYS 89 2HE LYS 89 22.806 -10.692 -6.357 608 HZ1 LYS 89 3HZ LYS 89 22.913 -9.172 -3.979 609 HZ2 LYS 89 1HZ LYS 89 21.296 -9.440 -4.402 610 HZ3 LYS 89 2HZ LYS 89 22.351 -8.714 -5.508 611 H SER 90 H SER 90 19.326 -10.402 -0.155 612 HA SER 90 HA SER 90 17.623 -12.789 0.110 613 HB2 SER 90 1HB SER 90 19.668 -11.769 2.095 614 HB3 SER 90 2HB SER 90 18.484 -13.029 2.445 615 HG SER 90 HG SER 90 19.470 -14.364 1.009 616 H VAL 91 H VAL 91 16.335 -12.623 2.265 617 HA VAL 91 HA VAL 91 15.160 -9.927 2.346 618 HB VAL 91 HB VAL 91 13.915 -12.559 3.153 619 HG11 VAL 91 1HG1 VAL 91 11.956 -11.422 3.658 620 HG12 VAL 91 2HG1 VAL 91 13.204 -10.354 4.306 621 HG13 VAL 91 3HG1 VAL 91 12.440 -9.984 2.759 622 HG21 VAL 91 3HG2 VAL 91 13.986 -12.665 0.839 623 HG22 VAL 91 1HG2 VAL 91 12.416 -11.918 1.134 624 HG23 VAL 91 2HG2 VAL 91 13.789 -10.923 0.651 625 HA PRO 92 HA PRO 92 16.679 -9.470 6.471 626 HB2 PRO 92 1HB PRO 92 15.129 -7.362 7.194 627 HB3 PRO 92 2HB PRO 92 16.515 -7.207 6.107 628 HG2 PRO 92 1HG PRO 92 13.601 -7.393 5.447 629 HG3 PRO 92 2HG PRO 92 14.839 -6.329 4.755 630 HD2 PRO 92 1HD PRO 92 13.990 -8.578 3.510 631 HD3 PRO 92 2HD PRO 92 15.652 -7.973 3.360 632 H THR 93 H THR 93 16.138 -10.939 7.960 633 HA THR 93 HA THR 93 13.899 -12.286 8.461 634 HB THR 93 HB THR 93 14.481 -12.405 10.861 635 HG1 THR 93 HG1 THR 93 16.539 -10.532 10.267 636 HG21 THR 93 3HG2 THR 93 15.712 -13.735 9.155 637 HG22 THR 93 1HG2 THR 93 16.671 -13.377 10.591 638 HG23 THR 93 2HG2 THR 93 16.935 -12.466 9.104 639 H ASN 94 H ASN 94 14.534 -9.090 9.905 640 HA ASN 94 HA ASN 94 11.846 -8.248 9.668 641 HB2 ASN 94 1HB ASN 94 12.713 -9.413 12.291 642 HB3 ASN 94 2HB ASN 94 11.571 -8.072 12.269 643 HD21 ASN 94 1HD2 ASN 94 9.819 -8.452 10.467 644 HD22 ASN 94 2HD2 ASN 94 9.050 -9.997 10.551 645 H GLY 95 H GLY 95 11.471 -6.149 10.856 646 HA2 GLY 95 1HA GLY 95 12.128 -4.008 11.361 647 HA3 GLY 95 2HA GLY 95 13.600 -4.710 12.015 648 H TRP 96 H TRP 96 12.140 -4.239 8.794 649 HA TRP 96 HA TRP 96 14.795 -3.433 7.820 650 HB2 TRP 96 1HB TRP 96 13.805 -5.363 6.665 651 HB3 TRP 96 2HB TRP 96 12.386 -4.399 6.265 652 HD1 TRP 96 HD1 TRP 96 16.177 -4.505 5.493 653 HE1 TRP 96 HE1 TRP 96 16.543 -3.478 3.161 654 HE3 TRP 96 HE3 TRP 96 11.390 -3.005 4.505 655 HZ2 TRP 96 HZ2 TRP 96 15.007 -2.201 1.168 656 HZ3 TRP 96 HZ3 TRP 96 10.923 -1.888 2.363 657 HH2 TRP 96 HH2 TRP 96 12.695 -1.494 0.731 658 H LYS 97 H LYS 97 15.013 -1.592 6.497 659 HA LYS 97 HA LYS 97 12.716 0.206 6.308 660 HB2 LYS 97 1HB LYS 97 14.279 0.572 8.411 661 HB3 LYS 97 2HB LYS 97 15.303 1.380 7.231 662 HG2 LYS 97 1HG LYS 97 13.284 2.765 6.614 663 HG3 LYS 97 2HG LYS 97 12.500 2.090 8.044 664 HD2 LYS 97 1HD LYS 97 15.208 3.277 8.361 665 HD3 LYS 97 2HD LYS 97 13.844 4.373 8.130 666 HE2 LYS 97 1HE LYS 97 12.775 3.628 10.079 667 HE3 LYS 97 2HE LYS 97 13.770 2.176 10.175 668 HZ1 LYS 97 3HZ LYS 97 14.601 3.612 11.804 669 HZ2 LYS 97 1HZ LYS 97 14.542 4.965 10.789 670 HZ3 LYS 97 2HZ LYS 97 15.696 3.758 10.523 671 H CYS 98 H CYS 98 12.614 1.139 4.371 672 HA CYS 98 HA CYS 98 14.596 0.633 2.395 673 HB2 CYS 98 1HB CYS 98 13.127 1.620 0.869 674 HB3 CYS 98 2HB CYS 98 12.047 0.977 2.101 675 H LYS 99 H LYS 99 15.935 2.094 1.298 676 HA LYS 99 HA LYS 99 17.410 3.861 2.791 677 HB2 LYS 99 1HB LYS 99 18.211 3.052 0.664 678 HB3 LYS 99 2HB LYS 99 16.905 3.865 -0.188 679 HG2 LYS 99 1HG LYS 99 17.853 6.037 0.641 680 HG3 LYS 99 2HG LYS 99 19.249 5.121 1.215 681 HD2 LYS 99 1HD LYS 99 18.314 4.922 -1.630 682 HD3 LYS 99 2HD LYS 99 19.385 6.224 -1.106 683 HE2 LYS 99 1HE LYS 99 21.114 4.748 -0.580 684 HE3 LYS 99 2HE LYS 99 20.032 3.358 -0.510 685 HZ1 LYS 99 3HZ LYS 99 20.300 2.982 -2.671 686 HZ2 LYS 99 1HZ LYS 99 21.585 4.082 -2.631 687 HZ3 LYS 99 2HZ LYS 99 20.040 4.602 -3.084 688 H ASN 100 H ASN 100 14.780 4.701 0.537 689 HA ASN 100 HA ASN 100 14.760 7.427 0.797 690 HB2 ASN 100 1HB ASN 100 13.244 5.901 -0.623 691 HB3 ASN 100 2HB ASN 100 12.191 5.857 0.787 692 HD21 ASN 100 1HD2 ASN 100 13.871 8.122 -1.349 693 HD22 ASN 100 2HD2 ASN 100 12.641 9.335 -1.315 694 H CYS 101 H CYS 101 13.975 5.082 3.184 695 HA CYS 101 HA CYS 101 12.622 7.038 4.880 696 HB2 CYS 101 1HB CYS 101 12.891 4.072 4.872 697 HB3 CYS 101 2HB CYS 101 12.658 4.864 6.427 698 H ARG 102 H ARG 102 15.452 4.888 4.961 699 HA ARG 102 HA ARG 102 16.473 5.525 7.436 700 HB2 ARG 102 1HB ARG 102 18.439 4.539 6.753 701 HB3 ARG 102 2HB ARG 102 17.323 3.903 5.551 702 HG2 ARG 102 1HG ARG 102 18.096 5.398 3.898 703 HG3 ARG 102 2HG ARG 102 18.970 6.369 5.084 704 HD2 ARG 102 1HD ARG 102 19.641 3.479 4.675 705 HD3 ARG 102 2HD ARG 102 20.286 4.714 3.593 706 HE ARG 102 HE ARG 102 20.687 5.159 6.434 707 HH11 ARG 102 2HH1 ARG 102 21.986 3.980 3.427 708 HH12 ARG 102 1HH1 ARG 102 23.635 4.082 3.949 709 HH21 ARG 102 2HH2 ARG 102 22.853 5.298 7.133 710 HH22 ARG 102 1HH2 ARG 102 24.127 4.831 6.058 711 H ILE 103 H ILE 103 16.546 7.404 4.490 712 HA ILE 103 HA ILE 103 18.492 9.206 4.699 713 HB ILE 103 HB ILE 103 15.597 9.974 4.306 714 HG12 ILE 103 1HG1 ILE 103 16.041 8.367 2.661 715 HG13 ILE 103 2HG1 ILE 103 16.391 9.886 1.844 716 HG21 ILE 103 1HG2 ILE 103 16.243 12.033 3.621 717 HG22 ILE 103 2HG2 ILE 103 17.579 11.716 4.726 718 HG23 ILE 103 3HG2 ILE 103 17.789 11.461 2.994 719 HD11 ILE 103 3HD1 ILE 103 18.788 9.543 2.337 720 HD12 ILE 103 1HD1 ILE 103 18.386 7.968 3.022 721 HD13 ILE 103 2HD1 ILE 103 18.092 8.288 1.312 722 H CYS 104 H CYS 104 19.369 10.319 6.303 723 HA CYS 104 HA CYS 104 17.824 10.900 8.695 724 HB2 CYS 104 1HB CYS 104 20.755 11.229 8.035 725 HB3 CYS 104 2HB CYS 104 20.045 11.698 9.575 726 HG CYS 104 HG CYS 104 19.169 8.609 8.957 727 H ILE 105 H ILE 105 16.425 12.515 7.892 728 HA ILE 105 HA ILE 105 17.519 14.942 6.775 729 HB ILE 105 HB ILE 105 15.266 13.976 6.151 730 HG12 ILE 105 1HG1 ILE 105 14.912 16.784 7.134 731 HG13 ILE 105 2HG1 ILE 105 16.136 16.441 5.917 732 HG21 ILE 105 1HG2 ILE 105 14.563 15.057 8.873 733 HG22 ILE 105 2HG2 ILE 105 13.375 14.656 7.634 734 HG23 ILE 105 3HG2 ILE 105 14.409 13.395 8.305 735 HD11 ILE 105 3HD1 ILE 105 13.165 16.180 5.724 736 HD12 ILE 105 1HD1 ILE 105 14.278 17.068 4.683 737 HD13 ILE 105 2HD1 ILE 105 14.233 15.306 4.626 738 H SER 106 H SER 106 17.057 17.069 7.715 739 HA SER 106 HA SER 106 17.616 17.044 10.575 740 HB2 SER 106 1HB SER 106 18.427 19.240 10.320 741 HB3 SER 106 2HB SER 106 18.906 18.435 8.826 742 HG SER 106 HG SER 106 16.992 19.346 7.873 743 H GLY 107 H GLY 107 16.626 19.153 11.690 744 HA2 GLY 107 1HA GLY 107 13.850 19.585 10.934 745 HA3 GLY 107 2HA GLY 107 14.101 18.736 12.452 746 HA PRO 108 HA PRO 108 14.489 23.506 12.790 747 HB2 PRO 108 1HB PRO 108 11.954 24.139 13.527 748 HB3 PRO 108 2HB PRO 108 12.493 24.140 11.844 749 HG2 PRO 108 1HG PRO 108 10.968 22.045 13.344 750 HG3 PRO 108 2HG PRO 108 10.711 22.654 11.698 751 HD2 PRO 108 1HD PRO 108 11.982 20.318 12.205 752 HD3 PRO 108 2HD PRO 108 12.391 21.345 10.816 753 H SER 109 H SER 109 13.482 20.815 14.573 754 HA SER 109 HA SER 109 12.866 21.899 17.073 755 HB2 SER 109 1HB SER 109 14.223 19.277 16.400 756 HB3 SER 109 2HB SER 109 13.558 19.687 17.982 757 HG SER 109 HG SER 109 11.604 19.352 17.251 758 H SER 110 H SER 110 14.050 23.170 18.320 759 HA SER 110 HA SER 110 16.792 23.669 17.929 760 HB2 SER 110 1HB SER 110 14.924 24.301 20.216 761 HB3 SER 110 2HB SER 110 16.609 24.820 20.196 762 HG SER 110 HG SER 110 16.184 26.211 18.626 763 H GLY 111 H GLY 111 15.174 22.028 20.659 764 HA2 GLY 111 1HA GLY 111 17.700 20.560 21.109 765 HA3 GLY 111 2HA GLY 111 16.644 21.079 22.414 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -19.085 17.082 -3.245 2 HA2 GLY 1 1HA GLY 1 -19.991 14.674 -2.751 3 HA3 GLY 1 2HA GLY 1 -21.017 16.051 -2.380 4 H SER 2 H SER 2 -21.910 13.416 -3.018 5 HA SER 2 HA SER 2 -23.332 13.964 -5.541 6 HB2 SER 2 1HB SER 2 -21.726 12.103 -5.796 7 HB3 SER 2 2HB SER 2 -22.516 11.252 -4.468 8 HG SER 2 HG SER 2 -23.292 10.533 -6.482 9 H SER 3 H SER 3 -25.515 13.428 -5.639 10 HA SER 3 HA SER 3 -27.048 13.838 -3.376 11 HB2 SER 3 1HB SER 3 -27.736 13.904 -5.864 12 HB3 SER 3 2HB SER 3 -28.050 12.178 -5.682 13 HG SER 3 HG SER 3 -29.887 13.586 -5.287 14 H GLY 4 H GLY 4 -26.289 10.737 -4.958 15 HA2 GLY 4 1HA GLY 4 -27.394 9.317 -2.644 16 HA3 GLY 4 2HA GLY 4 -26.968 8.598 -4.190 17 H SER 5 H SER 5 -26.187 7.363 -1.895 18 HA SER 5 HA SER 5 -23.354 8.066 -1.557 19 HB2 SER 5 1HB SER 5 -24.463 7.943 0.554 20 HB3 SER 5 2HB SER 5 -25.242 6.418 0.131 21 HG SER 5 HG SER 5 -22.879 6.805 1.301 22 H SER 6 H SER 6 -22.235 7.086 -3.145 23 HA SER 6 HA SER 6 -22.806 4.767 -4.498 24 HB2 SER 6 1HB SER 6 -20.095 5.896 -3.770 25 HB3 SER 6 2HB SER 6 -20.348 4.616 -4.956 26 HG SER 6 HG SER 6 -20.230 6.857 -5.765 27 H GLY 7 H GLY 7 -20.463 4.976 -1.808 28 HA2 GLY 7 1HA GLY 7 -21.067 3.223 -0.012 29 HA3 GLY 7 2HA GLY 7 -20.875 2.098 -1.348 30 H ALA 8 H ALA 8 -19.260 4.155 0.930 31 HA ALA 8 HA ALA 8 -16.652 3.209 -0.056 32 HB1 ALA 8 3HB ALA 8 -17.365 5.618 1.605 33 HB2 ALA 8 1HB ALA 8 -15.711 5.085 1.305 34 HB3 ALA 8 2HB ALA 8 -16.732 5.592 -0.041 35 H ASN 9 H ASN 9 -16.359 1.286 0.966 36 HA ASN 9 HA ASN 9 -16.246 1.375 3.902 37 HB2 ASN 9 1HB ASN 9 -17.601 -0.660 2.157 38 HB3 ASN 9 2HB ASN 9 -16.960 -1.127 3.730 39 HD21 ASN 9 1HD2 ASN 9 -19.666 -1.245 3.024 40 HD22 ASN 9 2HD2 ASN 9 -20.534 -0.125 4.013 41 H CYS 10 H CYS 10 -15.094 -0.769 4.670 42 HA CYS 10 HA CYS 10 -12.455 -0.655 3.613 43 HB2 CYS 10 1HB CYS 10 -13.025 -1.113 6.011 44 HB3 CYS 10 2HB CYS 10 -13.593 -2.705 5.521 45 H ALA 11 H ALA 11 -11.385 -2.008 2.267 46 HA ALA 11 HA ALA 11 -12.984 -3.878 0.728 47 HB1 ALA 11 3HB ALA 11 -10.066 -3.333 0.298 48 HB2 ALA 11 1HB ALA 11 -11.284 -3.838 -0.873 49 HB3 ALA 11 2HB ALA 11 -11.306 -2.195 -0.230 50 H VAL 12 H VAL 12 -11.545 -4.165 3.582 51 HA VAL 12 HA VAL 12 -10.524 -6.880 3.057 52 HB VAL 12 HB VAL 12 -9.835 -4.992 5.312 53 HG11 VAL 12 1HG1 VAL 12 -9.199 -6.749 6.508 54 HG12 VAL 12 2HG1 VAL 12 -9.768 -7.832 5.237 55 HG13 VAL 12 3HG1 VAL 12 -8.107 -7.238 5.213 56 HG21 VAL 12 3HG2 VAL 12 -8.847 -4.925 2.815 57 HG22 VAL 12 1HG2 VAL 12 -7.900 -4.512 4.244 58 HG23 VAL 12 2HG2 VAL 12 -7.766 -6.120 3.531 59 H CYS 13 H CYS 13 -12.112 -4.970 5.619 60 HA CYS 13 HA CYS 13 -13.384 -7.414 6.606 61 HB2 CYS 13 1HB CYS 13 -13.878 -6.196 8.610 62 HB3 CYS 13 2HB CYS 13 -12.202 -5.860 8.187 63 H ASP 14 H ASP 14 -14.079 -4.467 4.933 64 HA ASP 14 HA ASP 14 -15.950 -3.761 3.838 65 HB2 ASP 14 1HB ASP 14 -17.256 -6.334 4.740 66 HB3 ASP 14 2HB ASP 14 -17.761 -5.293 3.412 67 H SER 15 H SER 15 -15.500 -2.745 6.307 68 HA SER 15 HA SER 15 -18.229 -2.346 7.303 69 HB2 SER 15 1HB SER 15 -15.804 -2.968 8.998 70 HB3 SER 15 2HB SER 15 -17.298 -2.296 9.650 71 HG SER 15 HG SER 15 -17.138 -4.626 9.754 72 HA PRO 16 HA PRO 16 -17.213 1.924 7.132 73 HB2 PRO 16 1HB PRO 16 -18.888 2.897 9.033 74 HB3 PRO 16 2HB PRO 16 -19.451 2.330 7.456 75 HG2 PRO 16 1HG PRO 16 -19.460 0.913 10.093 76 HG3 PRO 16 2HG PRO 16 -20.726 0.976 8.852 77 HD2 PRO 16 1HD PRO 16 -19.061 -1.142 9.128 78 HD3 PRO 16 2HD PRO 16 -19.711 -0.636 7.555 79 H GLY 17 H GLY 17 -17.624 0.801 10.503 80 HA2 GLY 17 1HA GLY 17 -16.568 1.625 12.420 81 HA3 GLY 17 2HA GLY 17 -15.198 0.943 11.556 82 H ASP 18 H ASP 18 -13.535 2.255 11.244 83 HA ASP 18 HA ASP 18 -13.908 5.121 11.660 84 HB2 ASP 18 1HB ASP 18 -11.581 3.254 11.772 85 HB3 ASP 18 2HB ASP 18 -11.273 4.954 11.428 86 H LEU 19 H LEU 19 -13.721 6.617 10.099 87 HA LEU 19 HA LEU 19 -13.302 5.667 7.367 88 HB2 LEU 19 1HB LEU 19 -14.557 8.097 8.577 89 HB3 LEU 19 2HB LEU 19 -14.044 8.113 6.891 90 HG LEU 19 HG LEU 19 -16.449 7.636 7.176 91 HD11 LEU 19 1HD1 LEU 19 -14.756 5.430 6.020 92 HD12 LEU 19 2HD1 LEU 19 -15.375 6.853 5.184 93 HD13 LEU 19 3HD1 LEU 19 -16.489 5.606 5.744 94 HD21 LEU 19 3HD2 LEU 19 -16.554 6.467 9.223 95 HD22 LEU 19 1HD2 LEU 19 -15.391 5.257 8.681 96 HD23 LEU 19 2HD2 LEU 19 -17.010 5.300 7.981 97 H LEU 20 H LEU 20 -12.146 8.202 9.568 98 HA LEU 20 HA LEU 20 -10.162 9.171 7.761 99 HB2 LEU 20 1HB LEU 20 -10.794 9.595 10.649 100 HB3 LEU 20 2HB LEU 20 -9.256 10.162 10.002 101 HG LEU 20 HG LEU 20 -10.569 11.488 8.317 102 HD11 LEU 20 1HD1 LEU 20 -12.873 11.798 8.535 103 HD12 LEU 20 2HD1 LEU 20 -12.916 11.054 10.133 104 HD13 LEU 20 3HD1 LEU 20 -12.654 10.056 8.702 105 HD21 LEU 20 3HD2 LEU 20 -11.402 12.382 11.030 106 HD22 LEU 20 1HD2 LEU 20 -10.668 13.296 9.712 107 HD23 LEU 20 2HD2 LEU 20 -9.679 12.211 10.690 108 H ASP 21 H ASP 21 -9.956 7.264 10.766 109 HA ASP 21 HA ASP 21 -7.295 6.796 10.955 110 HB2 ASP 21 1HB ASP 21 -9.157 5.872 12.424 111 HB3 ASP 21 2HB ASP 21 -9.298 4.559 11.258 112 H GLN 22 H GLN 22 -9.539 5.038 8.839 113 HA GLN 22 HA GLN 22 -7.540 3.337 7.739 114 HB2 GLN 22 1HB GLN 22 -9.288 2.851 6.007 115 HB3 GLN 22 2HB GLN 22 -9.813 2.599 7.666 116 HG2 GLN 22 1HG GLN 22 -10.991 4.716 7.643 117 HG3 GLN 22 2HG GLN 22 -10.418 5.036 6.007 118 HE21 GLN 22 1HE2 GLN 22 -12.741 5.259 5.603 119 HE22 GLN 22 2HE2 GLN 22 -13.656 3.841 5.233 120 H PHE 23 H PHE 23 -6.140 3.687 6.139 121 HA PHE 23 HA PHE 23 -5.764 6.270 5.059 122 HB2 PHE 23 1HB PHE 23 -4.626 3.682 3.989 123 HB3 PHE 23 2HB PHE 23 -3.967 5.301 3.779 124 HD1 PHE 23 HD2 PHE 23 -4.563 2.605 6.220 125 HD2 PHE 23 HD1 PHE 23 -2.587 6.290 5.425 126 HE1 PHE 23 HE2 PHE 23 -3.195 2.304 8.243 127 HE2 PHE 23 HE1 PHE 23 -1.215 5.994 7.446 128 HZ PHE 23 HZ PHE 23 -1.519 4.000 8.858 129 H PHE 24 H PHE 24 -5.927 6.974 2.880 130 HA PHE 24 HA PHE 24 -7.944 5.509 1.308 131 HB2 PHE 24 1HB PHE 24 -9.016 7.479 2.062 132 HB3 PHE 24 2HB PHE 24 -7.591 8.467 1.755 133 HD1 PHE 24 HD1 PHE 24 -9.894 6.221 -0.140 134 HD2 PHE 24 HD2 PHE 24 -7.672 9.850 -0.066 135 HE1 PHE 24 HE1 PHE 24 -10.788 6.809 -2.356 136 HE2 PHE 24 HE2 PHE 24 -8.562 10.444 -2.281 137 HZ PHE 24 HZ PHE 24 -10.123 8.924 -3.429 138 H CYS 25 H CYS 25 -7.216 4.764 -0.561 139 HA CYS 25 HA CYS 25 -4.651 5.473 -1.582 140 HB2 CYS 25 1HB CYS 25 -5.811 3.217 -1.798 141 HB3 CYS 25 2HB CYS 25 -6.794 3.949 -3.061 142 H THR 26 H THR 26 -4.214 6.318 -3.717 143 HA THR 26 HA THR 26 -6.129 8.420 -4.448 144 HB THR 26 HB THR 26 -4.195 9.424 -5.691 145 HG1 THR 26 HG1 THR 26 -3.056 7.272 -5.682 146 HG21 THR 26 3HG2 THR 26 -2.863 9.856 -3.456 147 HG22 THR 26 1HG2 THR 26 -4.238 9.019 -2.737 148 HG23 THR 26 2HG2 THR 26 -4.494 10.489 -3.677 149 H THR 27 H THR 27 -4.413 5.644 -5.696 150 HA THR 27 HA THR 27 -5.038 6.102 -8.444 151 HB THR 27 HB THR 27 -4.244 3.533 -7.059 152 HG1 THR 27 HG1 THR 27 -2.823 5.718 -8.084 153 HG21 THR 27 3HG2 THR 27 -4.623 4.277 -9.933 154 HG22 THR 27 1HG2 THR 27 -5.113 2.812 -9.084 155 HG23 THR 27 2HG2 THR 27 -3.416 3.073 -9.486 156 H CYS 28 H CYS 28 -6.202 3.580 -6.198 157 HA CYS 28 HA CYS 28 -8.513 3.107 -7.878 158 HB2 CYS 28 1HB CYS 28 -9.012 1.281 -6.362 159 HB3 CYS 28 2HB CYS 28 -7.303 1.235 -6.785 160 H GLY 29 H GLY 29 -7.870 4.280 -4.586 161 HA2 GLY 29 1HA GLY 29 -9.073 6.000 -3.519 162 HA3 GLY 29 2HA GLY 29 -10.361 5.800 -4.698 163 H GLN 30 H GLN 30 -8.831 3.309 -2.705 164 HA GLN 30 HA GLN 30 -11.482 2.655 -1.637 165 HB2 GLN 30 1HB GLN 30 -8.938 1.083 -1.949 166 HB3 GLN 30 2HB GLN 30 -10.218 0.535 -0.875 167 HG2 GLN 30 1HG GLN 30 -11.012 1.248 -3.628 168 HG3 GLN 30 2HG GLN 30 -10.033 -0.205 -3.429 169 HE21 GLN 30 1HE2 GLN 30 -12.830 1.379 -1.921 170 HE22 GLN 30 2HE2 GLN 30 -13.757 -0.066 -1.724 171 H HIS 31 H HIS 31 -11.173 1.492 0.654 172 HA HIS 31 HA HIS 31 -9.528 3.259 2.338 173 HB2 HIS 31 1HB HIS 31 -12.218 2.289 3.254 174 HB3 HIS 31 2HB HIS 31 -11.273 3.654 3.844 175 HD1 HIS 31 HD1 HIS 31 -12.278 5.806 3.202 176 HD2 HIS 31 HD2 HIS 31 -12.972 2.879 0.337 177 HE1 HIS 31 HE1 HIS 31 -13.636 6.930 1.409 178 HE2 HIS 31 HE2 HIS 31 -14.116 5.117 -0.273 179 H TYR 32 H TYR 32 -8.501 2.314 4.043 180 HA TYR 32 HA TYR 32 -9.131 -0.456 4.726 181 HB2 TYR 32 1HB TYR 32 -6.373 0.459 3.884 182 HB3 TYR 32 2HB TYR 32 -6.759 -1.122 4.552 183 HD1 TYR 32 HD2 TYR 32 -7.209 1.090 1.634 184 HD2 TYR 32 HD1 TYR 32 -7.718 -2.835 3.195 185 HE1 TYR 32 HE2 TYR 32 -7.687 0.258 -0.630 186 HE2 TYR 32 HE1 TYR 32 -8.196 -3.678 0.935 187 HH TYR 32 HH TYR 32 -7.951 -1.581 -1.898 188 H HIS 33 H HIS 33 -9.170 -0.686 6.856 189 HA HIS 33 HA HIS 33 -8.388 1.419 8.603 190 HB2 HIS 33 1HB HIS 33 -9.098 -1.428 9.333 191 HB3 HIS 33 2HB HIS 33 -9.141 -0.024 10.396 192 HD2 HIS 33 HD2 HIS 33 -11.055 2.021 9.109 193 HE1 HIS 33 HE1 HIS 33 -13.638 -1.185 8.085 194 HE2 HIS 33 HE2 HIS 33 -13.407 1.314 8.296 195 H GLY 34 H GLY 34 -6.751 1.451 10.174 196 HA2 GLY 34 1HA GLY 34 -4.243 0.517 9.367 197 HA3 GLY 34 2HA GLY 34 -4.627 1.115 10.974 198 H MET 35 H MET 35 -6.628 -0.934 11.497 199 HA MET 35 HA MET 35 -4.853 -2.964 12.475 200 HB2 MET 35 1HB MET 35 -7.054 -2.002 13.526 201 HB3 MET 35 2HB MET 35 -7.835 -3.232 12.541 202 HG2 MET 35 1HG MET 35 -5.801 -3.651 14.713 203 HG3 MET 35 2HG MET 35 -7.501 -4.116 14.725 204 HE1 MET 35 3HE MET 35 -3.833 -5.275 13.280 205 HE2 MET 35 1HE MET 35 -4.397 -5.317 14.951 206 HE3 MET 35 2HE MET 35 -4.239 -6.817 14.035 207 H CYS 36 H CYS 36 -7.516 -2.879 10.121 208 HA CYS 36 HA CYS 36 -7.567 -5.549 9.402 209 HB2 CYS 36 1HB CYS 36 -8.253 -3.004 8.005 210 HB3 CYS 36 2HB CYS 36 -8.184 -4.480 7.048 211 H LEU 37 H LEU 37 -5.380 -3.001 8.358 212 HA LEU 37 HA LEU 37 -4.011 -4.838 6.547 213 HB2 LEU 37 1HB LEU 37 -4.099 -1.906 6.924 214 HB3 LEU 37 2HB LEU 37 -2.574 -2.585 6.358 215 HG LEU 37 HG LEU 37 -5.242 -2.929 4.991 216 HD11 LEU 37 1HD1 LEU 37 -3.657 -0.666 5.064 217 HD12 LEU 37 2HD1 LEU 37 -4.876 -1.055 3.851 218 HD13 LEU 37 3HD1 LEU 37 -3.185 -1.467 3.566 219 HD21 LEU 37 3HD2 LEU 37 -3.059 -4.556 4.824 220 HD22 LEU 37 1HD2 LEU 37 -2.758 -3.409 3.518 221 HD23 LEU 37 2HD2 LEU 37 -4.259 -4.335 3.549 222 H ASP 38 H ASP 38 -3.725 -3.473 9.690 223 HA ASP 38 HA ASP 38 -2.271 -3.952 11.387 224 HB2 ASP 38 1HB ASP 38 -0.549 -5.568 9.530 225 HB3 ASP 38 2HB ASP 38 -0.818 -5.782 11.258 226 H ILE 39 H ILE 39 -2.025 -1.621 9.920 227 HA ILE 39 HA ILE 39 0.888 -1.240 9.716 228 HB ILE 39 HB ILE 39 -1.290 0.488 8.535 229 HG12 ILE 39 1HG1 ILE 39 0.599 -1.380 7.094 230 HG13 ILE 39 2HG1 ILE 39 -1.051 -1.814 7.528 231 HG21 ILE 39 1HG2 ILE 39 1.712 0.567 8.322 232 HG22 ILE 39 2HG2 ILE 39 0.632 1.454 7.249 233 HG23 ILE 39 3HG2 ILE 39 0.643 1.807 8.977 234 HD11 ILE 39 3HD1 ILE 39 -0.063 0.077 5.466 235 HD12 ILE 39 1HD1 ILE 39 -1.347 -1.129 5.377 236 HD13 ILE 39 2HD1 ILE 39 -1.622 0.392 6.227 237 H ALA 40 H ALA 40 1.847 0.570 10.687 238 HA ALA 40 HA ALA 40 0.470 1.491 13.071 239 HB1 ALA 40 3HB ALA 40 3.279 2.127 12.187 240 HB2 ALA 40 1HB ALA 40 2.594 2.305 13.803 241 HB3 ALA 40 2HB ALA 40 2.835 0.697 13.119 242 H VAL 41 H VAL 41 -1.018 3.018 12.511 243 HA VAL 41 HA VAL 41 -0.939 4.927 10.558 244 HB VAL 41 HB VAL 41 -2.066 5.292 13.338 245 HG11 VAL 41 1HG1 VAL 41 -3.607 6.890 12.191 246 HG12 VAL 41 2HG1 VAL 41 -1.927 7.425 12.267 247 HG13 VAL 41 3HG1 VAL 41 -2.579 6.771 10.763 248 HG21 VAL 41 3HG2 VAL 41 -3.970 4.206 12.676 249 HG22 VAL 41 1HG2 VAL 41 -3.721 4.580 10.970 250 HG23 VAL 41 2HG2 VAL 41 -2.770 3.311 11.743 251 H THR 42 H THR 42 0.649 6.292 10.085 252 HA THR 42 HA THR 42 1.875 7.823 12.285 253 HB THR 42 HB THR 42 3.950 7.940 10.870 254 HG1 THR 42 HG1 THR 42 2.417 6.850 9.063 255 HG21 THR 42 3HG2 THR 42 4.741 6.280 12.135 256 HG22 THR 42 1HG2 THR 42 3.799 5.078 11.254 257 HG23 THR 42 2HG2 THR 42 3.076 5.942 12.610 258 HA PRO 43 HA PRO 43 0.754 11.497 10.156 259 HB2 PRO 43 1HB PRO 43 2.800 13.144 10.841 260 HB3 PRO 43 2HB PRO 43 1.541 12.651 11.980 261 HG2 PRO 43 1HG PRO 43 4.311 11.570 11.633 262 HG3 PRO 43 2HG PRO 43 3.431 11.933 13.129 263 HD2 PRO 43 1HD PRO 43 3.668 9.419 12.152 264 HD3 PRO 43 2HD PRO 43 2.239 9.962 13.055 265 H LEU 44 H LEU 44 3.193 9.561 9.124 266 HA LEU 44 HA LEU 44 4.099 11.406 7.026 267 HB2 LEU 44 1HB LEU 44 5.845 10.299 8.335 268 HB3 LEU 44 2HB LEU 44 5.199 8.728 7.867 269 HG LEU 44 HG LEU 44 5.685 9.599 5.439 270 HD11 LEU 44 1HD1 LEU 44 7.051 11.541 7.174 271 HD12 LEU 44 2HD1 LEU 44 6.508 11.690 5.503 272 HD13 LEU 44 3HD1 LEU 44 8.027 10.870 5.867 273 HD21 LEU 44 3HD2 LEU 44 7.713 8.566 7.407 274 HD22 LEU 44 1HD2 LEU 44 8.025 8.690 5.676 275 HD23 LEU 44 2HD2 LEU 44 6.734 7.644 6.266 276 H LYS 45 H LYS 45 2.794 8.145 7.513 277 HA LYS 45 HA LYS 45 2.569 7.480 4.780 278 HB2 LYS 45 1HB LYS 45 1.019 6.468 7.170 279 HB3 LYS 45 2HB LYS 45 0.975 5.739 5.570 280 HG2 LYS 45 1HG LYS 45 3.307 5.171 5.707 281 HG3 LYS 45 2HG LYS 45 3.463 6.032 7.240 282 HD2 LYS 45 1HD LYS 45 1.483 4.373 7.904 283 HD3 LYS 45 2HD LYS 45 2.247 3.391 6.651 284 HE2 LYS 45 1HE LYS 45 4.009 4.644 8.684 285 HE3 LYS 45 2HE LYS 45 2.999 3.296 9.203 286 HZ1 LYS 45 3HZ LYS 45 4.286 1.854 8.131 287 HZ2 LYS 45 1HZ LYS 45 5.417 3.101 7.966 288 HZ3 LYS 45 2HZ LYS 45 4.321 2.783 6.718 289 H ARG 46 H ARG 46 0.106 8.622 7.092 290 HA ARG 46 HA ARG 46 -2.156 8.734 5.717 291 HB2 ARG 46 1HB ARG 46 -0.890 10.852 7.421 292 HB3 ARG 46 2HB ARG 46 -2.449 11.150 6.663 293 HG2 ARG 46 1HG ARG 46 -3.465 9.364 7.843 294 HG3 ARG 46 2HG ARG 46 -1.903 8.764 8.406 295 HD2 ARG 46 1HD ARG 46 -2.734 9.882 10.263 296 HD3 ARG 46 2HD ARG 46 -1.670 11.077 9.521 297 HE ARG 46 HE ARG 46 -3.544 12.310 8.859 298 HH11 ARG 46 2HH1 ARG 46 -4.431 9.385 10.524 299 HH12 ARG 46 1HH1 ARG 46 -6.066 9.886 10.804 300 HH21 ARG 46 2HH2 ARG 46 -5.694 12.981 9.221 301 HH22 ARG 46 1HH2 ARG 46 -6.783 11.931 10.062 302 H ALA 47 H ALA 47 0.328 11.265 5.329 303 HA ALA 47 HA ALA 47 -0.988 12.390 3.040 304 HB1 ALA 47 3HB ALA 47 1.841 12.940 3.893 305 HB2 ALA 47 1HB ALA 47 0.737 13.993 3.006 306 HB3 ALA 47 2HB ALA 47 0.447 13.647 4.711 307 H GLY 48 H GLY 48 -0.840 11.709 1.008 308 HA2 GLY 48 1HA GLY 48 -0.067 10.680 -0.893 309 HA3 GLY 48 2HA GLY 48 1.551 10.920 -0.249 310 H TRP 49 H TRP 49 -1.249 8.919 0.689 311 HA TRP 49 HA TRP 49 0.575 6.678 1.125 312 HB2 TRP 49 1HB TRP 49 -0.983 7.177 2.930 313 HB3 TRP 49 2HB TRP 49 -2.347 7.030 1.826 314 HD1 TRP 49 HD1 TRP 49 0.454 4.804 3.317 315 HE1 TRP 49 HE1 TRP 49 -0.455 2.404 3.502 316 HE3 TRP 49 HE3 TRP 49 -4.108 5.492 1.114 317 HZ2 TRP 49 HZ2 TRP 49 -2.796 0.988 2.806 318 HZ3 TRP 49 HZ3 TRP 49 -5.622 3.563 0.912 319 HH2 TRP 49 HH2 TRP 49 -4.978 1.359 1.740 320 H GLN 50 H GLN 50 -0.173 4.492 0.432 321 HA GLN 50 HA GLN 50 -1.896 4.432 -1.906 322 HB2 GLN 50 1HB GLN 50 1.060 4.103 -2.005 323 HB3 GLN 50 2HB GLN 50 0.090 3.027 -3.001 324 HG2 GLN 50 1HG GLN 50 -1.058 5.219 -3.787 325 HG3 GLN 50 2HG GLN 50 0.401 5.988 -3.164 326 HE21 GLN 50 1HE2 GLN 50 -0.612 3.301 -5.242 327 HE22 GLN 50 2HE2 GLN 50 0.652 3.496 -6.403 328 H CYS 51 H CYS 51 -2.906 2.506 -2.168 329 HA CYS 51 HA CYS 51 -2.670 0.581 -0.053 330 HB2 CYS 51 1HB CYS 51 -4.630 -0.369 -0.885 331 HB3 CYS 51 2HB CYS 51 -4.801 1.324 -1.336 332 HA PRO 52 HA PRO 52 0.035 -2.362 -1.864 333 HB2 PRO 52 1HB PRO 52 -1.048 -4.701 -1.011 334 HB3 PRO 52 2HB PRO 52 -0.190 -3.591 0.065 335 HG2 PRO 52 1HG PRO 52 -3.136 -3.936 -0.344 336 HG3 PRO 52 2HG PRO 52 -2.233 -3.728 1.168 337 HD2 PRO 52 1HD PRO 52 -3.567 -1.695 -0.024 338 HD3 PRO 52 2HD PRO 52 -2.076 -1.443 0.906 339 H GLU 53 H GLU 53 -3.098 -1.980 -2.930 340 HA GLU 53 HA GLU 53 -2.969 -4.172 -4.866 341 HB2 GLU 53 1HB GLU 53 -5.215 -2.195 -4.465 342 HB3 GLU 53 2HB GLU 53 -5.277 -3.721 -5.337 343 HG2 GLU 53 1HG GLU 53 -4.523 -3.809 -2.474 344 HG3 GLU 53 2HG GLU 53 -6.203 -3.452 -2.872 345 H CYS 54 H CYS 54 -2.464 -0.790 -4.599 346 HA CYS 54 HA CYS 54 -2.386 -0.533 -7.532 347 HB2 CYS 54 1HB CYS 54 -2.782 1.578 -5.404 348 HB3 CYS 54 2HB CYS 54 -2.561 1.931 -7.115 349 H LYS 55 H LYS 55 -0.653 0.021 -4.532 350 HA LYS 55 HA LYS 55 1.518 1.483 -5.392 351 HB2 LYS 55 1HB LYS 55 1.406 1.082 -3.089 352 HB3 LYS 55 2HB LYS 55 1.218 -0.653 -3.304 353 HG2 LYS 55 1HG LYS 55 3.508 -0.922 -3.856 354 HG3 LYS 55 2HG LYS 55 3.745 0.822 -3.991 355 HD2 LYS 55 1HD LYS 55 4.537 0.609 -1.888 356 HD3 LYS 55 2HD LYS 55 2.825 0.653 -1.459 357 HE2 LYS 55 1HE LYS 55 4.316 -1.898 -2.036 358 HE3 LYS 55 2HE LYS 55 4.180 -1.208 -0.420 359 HZ1 LYS 55 3HZ LYS 55 2.492 -2.910 -0.876 360 HZ2 LYS 55 1HZ LYS 55 1.876 -1.962 -2.134 361 HZ3 LYS 55 2HZ LYS 55 1.801 -1.403 -0.539 362 H VAL 56 H VAL 56 3.306 1.110 -6.576 363 HA VAL 56 HA VAL 56 3.958 -1.645 -7.339 364 HB VAL 56 HB VAL 56 4.104 -1.186 -9.649 365 HG11 VAL 56 1HG1 VAL 56 1.671 0.355 -9.489 366 HG12 VAL 56 2HG1 VAL 56 1.909 -1.323 -9.981 367 HG13 VAL 56 3HG1 VAL 56 1.693 -0.924 -8.276 368 HG21 VAL 56 3HG2 VAL 56 3.812 1.700 -8.863 369 HG22 VAL 56 1HG2 VAL 56 5.132 0.927 -9.742 370 HG23 VAL 56 2HG2 VAL 56 3.564 1.146 -10.519 371 H CYS 57 H CYS 57 6.115 -1.752 -8.464 372 HA CYS 57 HA CYS 57 8.109 -0.643 -6.866 373 HB2 CYS 57 1HB CYS 57 8.382 -2.675 -8.265 374 HB3 CYS 57 2HB CYS 57 8.398 -1.657 -9.702 375 H GLN 58 H GLN 58 9.741 0.918 -7.335 376 HA GLN 58 HA GLN 58 8.752 3.099 -9.037 377 HB2 GLN 58 1HB GLN 58 10.767 3.206 -6.787 378 HB3 GLN 58 2HB GLN 58 10.139 4.584 -7.681 379 HG2 GLN 58 1HG GLN 58 8.422 2.737 -6.045 380 HG3 GLN 58 2HG GLN 58 9.132 4.227 -5.425 381 HE21 GLN 58 1HE2 GLN 58 6.536 2.841 -7.066 382 HE22 GLN 58 2HE2 GLN 58 5.742 4.296 -7.553 383 H ASN 59 H ASN 59 11.292 0.820 -8.655 384 HA ASN 59 HA ASN 59 13.238 2.244 -10.220 385 HB2 ASN 59 1HB ASN 59 13.163 -0.695 -9.503 386 HB3 ASN 59 2HB ASN 59 14.562 0.211 -10.074 387 HD21 ASN 59 1HD2 ASN 59 12.831 -0.833 -7.393 388 HD22 ASN 59 2HD2 ASN 59 13.648 0.095 -6.187 389 H CYS 60 H CYS 60 11.379 -0.750 -10.788 390 HA CYS 60 HA CYS 60 11.803 -0.414 -13.666 391 HB2 CYS 60 1HB CYS 60 11.232 -2.708 -13.910 392 HB3 CYS 60 2HB CYS 60 12.278 -2.615 -12.497 393 H LYS 61 H LYS 61 9.315 -0.395 -11.225 394 HA LYS 61 HA LYS 61 7.145 0.290 -11.270 395 HB2 LYS 61 1HB LYS 61 7.721 1.185 -14.100 396 HB3 LYS 61 2HB LYS 61 6.376 1.702 -13.091 397 HG2 LYS 61 1HG LYS 61 9.083 2.143 -11.999 398 HG3 LYS 61 2HG LYS 61 8.618 3.122 -13.392 399 HD2 LYS 61 1HD LYS 61 6.523 3.724 -12.149 400 HD3 LYS 61 2HD LYS 61 7.208 2.919 -10.735 401 HE2 LYS 61 1HE LYS 61 9.149 4.442 -10.854 402 HE3 LYS 61 2HE LYS 61 8.385 5.275 -12.207 403 HZ1 LYS 61 3HZ LYS 61 7.798 6.557 -10.394 404 HZ2 LYS 61 1HZ LYS 61 7.575 5.226 -9.374 405 HZ3 LYS 61 2HZ LYS 61 6.438 5.567 -10.579 406 H GLN 62 H GLN 62 7.526 -2.350 -11.657 407 HA GLN 62 HA GLN 62 5.416 -3.021 -13.591 408 HB2 GLN 62 1HB GLN 62 8.065 -4.396 -13.195 409 HB3 GLN 62 2HB GLN 62 6.689 -5.224 -13.912 410 HG2 GLN 62 1HG GLN 62 7.457 -2.600 -15.052 411 HG3 GLN 62 2HG GLN 62 8.513 -3.976 -15.367 412 HE21 GLN 62 1HE2 GLN 62 5.125 -2.974 -15.509 413 HE22 GLN 62 2HE2 GLN 62 4.725 -3.905 -16.908 414 H SER 63 H SER 63 3.742 -3.596 -12.366 415 HA SER 63 HA SER 63 4.063 -4.775 -9.770 416 HB2 SER 63 1HB SER 63 1.719 -4.601 -9.560 417 HB3 SER 63 2HB SER 63 2.171 -3.214 -10.551 418 HG SER 63 HG SER 63 1.745 -5.198 -12.213 419 H GLY 64 H GLY 64 4.165 -6.865 -9.260 420 HA2 GLY 64 1HA GLY 64 2.762 -8.929 -10.559 421 HA3 GLY 64 2HA GLY 64 4.399 -8.881 -11.196 422 H GLU 65 H GLU 65 6.055 -8.543 -9.236 423 HA GLU 65 HA GLU 65 5.684 -10.902 -7.592 424 HB2 GLU 65 1HB GLU 65 8.031 -9.017 -7.865 425 HB3 GLU 65 2HB GLU 65 8.033 -10.491 -6.908 426 HG2 GLU 65 1HG GLU 65 9.091 -11.063 -8.908 427 HG3 GLU 65 2HG GLU 65 7.459 -11.712 -9.054 428 H ASP 66 H ASP 66 4.147 -10.341 -6.070 429 HA ASP 66 HA ASP 66 4.320 -7.950 -4.514 430 HB2 ASP 66 1HB ASP 66 2.191 -9.186 -4.986 431 HB3 ASP 66 2HB ASP 66 2.745 -10.457 -3.899 432 H SER 67 H SER 67 4.714 -11.388 -3.640 433 HA SER 67 HA SER 67 5.570 -11.115 -1.055 434 HB2 SER 67 1HB SER 67 6.237 -13.110 -3.195 435 HB3 SER 67 2HB SER 67 7.034 -13.210 -1.625 436 HG SER 67 HG SER 67 5.107 -13.578 -0.658 437 H LYS 68 H LYS 68 7.834 -11.548 -3.779 438 HA LYS 68 HA LYS 68 10.179 -10.968 -2.492 439 HB2 LYS 68 1HB LYS 68 9.334 -10.348 -5.321 440 HB3 LYS 68 2HB LYS 68 10.979 -10.107 -4.746 441 HG2 LYS 68 1HG LYS 68 11.181 -12.469 -4.246 442 HG3 LYS 68 2HG LYS 68 9.506 -12.734 -4.735 443 HD2 LYS 68 1HD LYS 68 10.334 -11.616 -6.972 444 HD3 LYS 68 2HD LYS 68 11.910 -12.169 -6.403 445 HE2 LYS 68 1HE LYS 68 10.951 -13.853 -7.832 446 HE3 LYS 68 2HE LYS 68 10.978 -14.450 -6.173 447 HZ1 LYS 68 3HZ LYS 68 8.817 -14.430 -7.818 448 HZ2 LYS 68 1HZ LYS 68 8.544 -13.085 -6.828 449 HZ3 LYS 68 2HZ LYS 68 8.771 -14.612 -6.137 450 H MET 69 H MET 69 8.002 -8.636 -4.064 451 HA MET 69 HA MET 69 9.380 -6.306 -3.770 452 HB2 MET 69 1HB MET 69 7.142 -6.504 -4.806 453 HB3 MET 69 2HB MET 69 6.431 -6.663 -3.206 454 HG2 MET 69 1HG MET 69 6.089 -4.452 -3.510 455 HG3 MET 69 2HG MET 69 7.712 -4.374 -2.827 456 HE1 MET 69 3HE MET 69 5.342 -3.658 -5.275 457 HE2 MET 69 1HE MET 69 6.154 -2.130 -5.618 458 HE3 MET 69 2HE MET 69 6.103 -3.396 -6.845 459 H LEU 70 H LEU 70 10.486 -5.599 -2.069 460 HA LEU 70 HA LEU 70 9.724 -6.264 0.626 461 HB2 LEU 70 1HB LEU 70 11.982 -4.795 -0.654 462 HB3 LEU 70 2HB LEU 70 11.688 -4.584 1.071 463 HG LEU 70 HG LEU 70 12.126 -7.276 -0.207 464 HD11 LEU 70 1HD1 LEU 70 14.389 -6.712 1.226 465 HD12 LEU 70 2HD1 LEU 70 14.038 -5.171 0.445 466 HD13 LEU 70 3HD1 LEU 70 14.238 -6.627 -0.529 467 HD21 LEU 70 3HD2 LEU 70 11.639 -8.060 1.808 468 HD22 LEU 70 1HD2 LEU 70 11.310 -6.422 2.373 469 HD23 LEU 70 2HD2 LEU 70 12.937 -7.090 2.508 470 H VAL 71 H VAL 71 8.266 -5.182 1.758 471 HA VAL 71 HA VAL 71 7.567 -2.452 0.987 472 HB VAL 71 HB VAL 71 6.230 -4.326 2.945 473 HG11 VAL 71 1HG1 VAL 71 4.544 -2.219 2.014 474 HG12 VAL 71 2HG1 VAL 71 5.031 -2.603 3.667 475 HG13 VAL 71 3HG1 VAL 71 6.020 -1.523 2.683 476 HG21 VAL 71 3HG2 VAL 71 5.095 -5.187 1.235 477 HG22 VAL 71 1HG2 VAL 71 4.690 -3.583 0.623 478 HG23 VAL 71 2HG2 VAL 71 6.209 -4.347 0.155 479 H CYS 72 H CYS 72 8.096 -0.706 2.142 480 HA CYS 72 HA CYS 72 9.922 -0.912 4.312 481 HB2 CYS 72 1HB CYS 72 9.614 0.988 2.547 482 HB3 CYS 72 2HB CYS 72 8.416 1.605 3.680 483 H ASP 73 H ASP 73 9.586 0.188 6.422 484 HA ASP 73 HA ASP 73 6.950 -0.533 7.489 485 HB2 ASP 73 1HB ASP 73 9.703 -0.449 8.614 486 HB3 ASP 73 2HB ASP 73 8.372 -0.094 9.711 487 H THR 74 H THR 74 9.071 2.142 6.939 488 HA THR 74 HA THR 74 7.531 3.919 8.663 489 HB THR 74 HB THR 74 9.964 4.438 6.945 490 HG1 THR 74 HG1 THR 74 10.595 4.880 9.375 491 HG21 THR 74 3HG2 THR 74 8.350 6.394 7.286 492 HG22 THR 74 1HG2 THR 74 10.030 6.645 7.758 493 HG23 THR 74 2HG2 THR 74 8.808 6.319 8.987 494 H CYS 75 H CYS 75 8.719 4.238 5.315 495 HA CYS 75 HA CYS 75 6.511 5.959 4.636 496 HB2 CYS 75 1HB CYS 75 7.587 6.254 2.531 497 HB3 CYS 75 2HB CYS 75 8.864 6.208 3.742 498 H ASP 76 H ASP 76 7.127 2.609 4.566 499 HA ASP 76 HA ASP 76 5.966 0.816 3.783 500 HB2 ASP 76 1HB ASP 76 4.122 2.102 4.964 501 HB3 ASP 76 2HB ASP 76 3.654 2.714 3.380 502 H LYS 77 H LYS 77 7.597 1.949 1.921 503 HA LYS 77 HA LYS 77 6.072 2.230 -0.550 504 HB2 LYS 77 1HB LYS 77 8.910 2.743 0.251 505 HB3 LYS 77 2HB LYS 77 8.527 2.506 -1.449 506 HG2 LYS 77 1HG LYS 77 6.987 4.486 0.173 507 HG3 LYS 77 2HG LYS 77 8.578 4.899 -0.470 508 HD2 LYS 77 1HD LYS 77 7.313 5.590 -2.228 509 HD3 LYS 77 2HD LYS 77 7.494 3.895 -2.689 510 HE2 LYS 77 1HE LYS 77 5.334 3.362 -2.079 511 HE3 LYS 77 2HE LYS 77 5.211 4.706 -0.945 512 HZ1 LYS 77 3HZ LYS 77 4.363 5.997 -2.519 513 HZ2 LYS 77 1HZ LYS 77 4.239 4.630 -3.509 514 HZ3 LYS 77 2HZ LYS 77 5.602 5.626 -3.610 515 H GLY 78 H GLY 78 6.877 1.047 -2.501 516 HA2 GLY 78 1HA GLY 78 7.515 -1.737 -1.753 517 HA3 GLY 78 2HA GLY 78 6.542 -1.279 -3.143 518 H TYR 79 H TYR 79 9.348 -2.611 -2.447 519 HA TYR 79 HA TYR 79 10.577 -1.670 -4.914 520 HB2 TYR 79 1HB TYR 79 12.026 -1.641 -2.259 521 HB3 TYR 79 2HB TYR 79 12.786 -1.389 -3.826 522 HD1 TYR 79 HD2 TYR 79 12.135 0.629 -5.182 523 HD2 TYR 79 HD1 TYR 79 10.949 0.131 -1.127 524 HE1 TYR 79 HE2 TYR 79 11.655 3.037 -5.033 525 HE2 TYR 79 HE1 TYR 79 10.464 2.537 -0.967 526 HH TYR 79 HH TYR 79 11.353 4.762 -3.485 527 H HIS 80 H HIS 80 10.905 -3.455 -6.048 528 HA HIS 80 HA HIS 80 10.883 -6.056 -5.043 529 HB2 HIS 80 1HB HIS 80 12.154 -5.067 -7.604 530 HB3 HIS 80 2HB HIS 80 11.728 -6.738 -7.247 531 HD2 HIS 80 HD2 HIS 80 8.660 -6.163 -6.153 532 HE1 HIS 80 HE1 HIS 80 8.114 -4.456 -9.999 533 HE2 HIS 80 HE2 HIS 80 6.975 -5.309 -7.920 534 H THR 81 H THR 81 12.403 -7.418 -4.279 535 HA THR 81 HA THR 81 14.698 -6.551 -3.062 536 HB THR 81 HB THR 81 15.493 -8.931 -3.150 537 HG1 THR 81 HG1 THR 81 13.041 -9.416 -4.511 538 HG21 THR 81 3HG2 THR 81 14.250 -9.026 -1.302 539 HG22 THR 81 1HG2 THR 81 12.909 -9.600 -2.292 540 HG23 THR 81 2HG2 THR 81 13.090 -7.876 -1.966 541 H PHE 82 H PHE 82 14.343 -7.778 -6.359 542 HA PHE 82 HA PHE 82 17.143 -7.662 -6.939 543 HB2 PHE 82 1HB PHE 82 16.234 -7.853 -9.362 544 HB3 PHE 82 2HB PHE 82 16.004 -9.209 -8.264 545 HD1 PHE 82 HD1 PHE 82 13.804 -9.720 -7.358 546 HD2 PHE 82 HD2 PHE 82 14.378 -6.537 -10.125 547 HE1 PHE 82 HE1 PHE 82 11.379 -9.641 -7.765 548 HE2 PHE 82 HE2 PHE 82 11.954 -6.453 -10.536 549 HZ PHE 82 HZ PHE 82 10.451 -8.005 -9.355 550 H CYS 83 H CYS 83 14.494 -5.438 -7.081 551 HA CYS 83 HA CYS 83 15.898 -3.569 -8.800 552 HB2 CYS 83 1HB CYS 83 13.236 -3.435 -7.377 553 HB3 CYS 83 2HB CYS 83 13.884 -2.116 -8.346 554 H LEU 84 H LEU 84 16.955 -4.361 -6.123 555 HA LEU 84 HA LEU 84 16.946 -1.732 -4.804 556 HB2 LEU 84 1HB LEU 84 17.518 -4.496 -3.772 557 HB3 LEU 84 2HB LEU 84 17.931 -3.042 -2.866 558 HG LEU 84 HG LEU 84 15.145 -3.855 -3.692 559 HD11 LEU 84 1HD1 LEU 84 16.413 -5.198 -1.879 560 HD12 LEU 84 2HD1 LEU 84 14.780 -4.624 -1.542 561 HD13 LEU 84 3HD1 LEU 84 16.170 -3.761 -0.885 562 HD21 LEU 84 3HD2 LEU 84 16.292 -1.384 -2.650 563 HD22 LEU 84 1HD2 LEU 84 14.959 -2.004 -1.676 564 HD23 LEU 84 2HD2 LEU 84 14.720 -1.682 -3.394 565 H GLN 85 H GLN 85 18.920 -0.822 -4.101 566 HA GLN 85 HA GLN 85 21.333 -1.963 -5.340 567 HB2 GLN 85 1HB GLN 85 20.627 -0.122 -6.735 568 HB3 GLN 85 2HB GLN 85 20.461 0.929 -5.335 569 HG2 GLN 85 1HG GLN 85 22.931 0.623 -4.957 570 HG3 GLN 85 2HG GLN 85 22.989 -0.155 -6.539 571 HE21 GLN 85 1HE2 GLN 85 23.802 1.188 -7.969 572 HE22 GLN 85 2HE2 GLN 85 23.436 2.870 -8.116 573 HA PRO 86 HA PRO 86 22.795 -3.003 -4.786 574 HB2 PRO 86 1HB PRO 86 23.367 -4.936 -2.967 575 HB3 PRO 86 2HB PRO 86 24.527 -3.690 -3.442 576 HG2 PRO 86 1HG PRO 86 22.771 -3.819 -1.021 577 HG3 PRO 86 2HG PRO 86 24.474 -3.339 -1.144 578 HD2 PRO 86 1HD PRO 86 22.461 -1.536 -0.974 579 HD3 PRO 86 2HD PRO 86 23.954 -1.218 -1.881 580 H VAL 87 H VAL 87 22.094 -5.468 -4.723 581 HA VAL 87 HA VAL 87 19.208 -5.438 -4.521 582 HB VAL 87 HB VAL 87 21.203 -7.367 -5.657 583 HG11 VAL 87 1HG1 VAL 87 19.569 -8.715 -4.417 584 HG12 VAL 87 2HG1 VAL 87 18.259 -7.923 -5.296 585 HG13 VAL 87 3HG1 VAL 87 19.416 -8.936 -6.160 586 HG21 VAL 87 3HG2 VAL 87 19.773 -5.255 -6.706 587 HG22 VAL 87 1HG2 VAL 87 20.550 -6.542 -7.627 588 HG23 VAL 87 2HG2 VAL 87 18.842 -6.666 -7.207 589 H MET 88 H MET 88 17.957 -6.923 -3.332 590 HA MET 88 HA MET 88 19.266 -7.835 -0.879 591 HB2 MET 88 1HB MET 88 16.446 -7.164 -1.624 592 HB3 MET 88 2HB MET 88 16.745 -8.231 -0.259 593 HG2 MET 88 1HG MET 88 17.941 -5.487 -0.540 594 HG3 MET 88 2HG MET 88 16.450 -5.834 0.333 595 HE1 MET 88 3HE MET 88 16.830 -5.510 2.926 596 HE2 MET 88 1HE MET 88 16.226 -7.095 2.443 597 HE3 MET 88 2HE MET 88 17.474 -6.968 3.682 598 H LYS 89 H LYS 89 19.252 -9.939 -0.198 599 HA LYS 89 HA LYS 89 18.626 -11.928 -2.241 600 HB2 LYS 89 1HB LYS 89 20.333 -11.886 0.215 601 HB3 LYS 89 2HB LYS 89 19.765 -13.432 -0.402 602 HG2 LYS 89 1HG LYS 89 21.869 -13.145 -1.366 603 HG3 LYS 89 2HG LYS 89 20.733 -12.705 -2.644 604 HD2 LYS 89 1HD LYS 89 21.022 -10.301 -1.845 605 HD3 LYS 89 2HD LYS 89 22.404 -10.893 -0.920 606 HE2 LYS 89 1HE LYS 89 22.091 -11.318 -3.885 607 HE3 LYS 89 2HE LYS 89 22.931 -9.931 -3.192 608 HZ1 LYS 89 3HZ LYS 89 24.733 -11.160 -2.890 609 HZ2 LYS 89 1HZ LYS 89 23.983 -12.430 -3.718 610 HZ3 LYS 89 2HZ LYS 89 23.872 -12.337 -2.033 611 H SER 90 H SER 90 17.854 -11.157 1.126 612 HA SER 90 HA SER 90 15.440 -12.808 0.871 613 HB2 SER 90 1HB SER 90 15.770 -13.548 3.253 614 HB3 SER 90 2HB SER 90 16.955 -14.199 2.121 615 HG SER 90 HG SER 90 18.436 -12.673 2.848 616 H VAL 91 H VAL 91 13.995 -12.373 2.905 617 HA VAL 91 HA VAL 91 13.818 -9.452 3.170 618 HB VAL 91 HB VAL 91 11.690 -11.540 3.664 619 HG11 VAL 91 1HG1 VAL 91 11.648 -8.533 3.760 620 HG12 VAL 91 2HG1 VAL 91 10.186 -9.510 3.614 621 HG13 VAL 91 3HG1 VAL 91 11.216 -9.671 5.036 622 HG21 VAL 91 3HG2 VAL 91 11.946 -11.550 1.362 623 HG22 VAL 91 1HG2 VAL 91 10.699 -10.324 1.595 624 HG23 VAL 91 2HG2 VAL 91 12.368 -9.838 1.298 625 HA PRO 92 HA PRO 92 15.120 -9.949 7.395 626 HB2 PRO 92 1HB PRO 92 14.800 -7.348 8.102 627 HB3 PRO 92 2HB PRO 92 16.170 -7.921 7.143 628 HG2 PRO 92 1HG PRO 92 13.650 -6.582 6.237 629 HG3 PRO 92 2HG PRO 92 15.320 -6.301 5.708 630 HD2 PRO 92 1HD PRO 92 13.569 -7.789 4.276 631 HD3 PRO 92 2HD PRO 92 15.313 -8.123 4.297 632 H THR 93 H THR 93 13.603 -11.089 8.503 633 HA THR 93 HA THR 93 10.896 -10.454 8.769 634 HB THR 93 HB THR 93 10.931 -11.969 10.767 635 HG1 THR 93 HG1 THR 93 13.208 -11.375 11.267 636 HG21 THR 93 3HG2 THR 93 12.137 -12.800 8.146 637 HG22 THR 93 1HG2 THR 93 10.501 -13.067 8.746 638 HG23 THR 93 2HG2 THR 93 11.850 -13.973 9.431 639 H ASN 94 H ASN 94 13.693 -9.385 10.574 640 HA ASN 94 HA ASN 94 12.348 -8.346 12.825 641 HB2 ASN 94 1HB ASN 94 14.387 -7.319 13.400 642 HB3 ASN 94 2HB ASN 94 14.865 -8.762 12.510 643 HD21 ASN 94 1HD2 ASN 94 15.261 -8.443 10.166 644 HD22 ASN 94 2HD2 ASN 94 16.037 -6.979 9.677 645 H GLY 95 H GLY 95 13.443 -6.792 9.814 646 HA2 GLY 95 1HA GLY 95 11.310 -5.173 9.340 647 HA3 GLY 95 2HA GLY 95 12.243 -4.271 10.525 648 H TRP 96 H TRP 96 11.609 -3.867 7.593 649 HA TRP 96 HA TRP 96 14.377 -3.651 6.609 650 HB2 TRP 96 1HB TRP 96 12.808 -5.056 5.252 651 HB3 TRP 96 2HB TRP 96 11.837 -3.613 4.968 652 HD1 TRP 96 HD1 TRP 96 15.390 -4.957 4.233 653 HE1 TRP 96 HE1 TRP 96 16.233 -3.840 2.072 654 HE3 TRP 96 HE3 TRP 96 11.504 -1.738 3.414 655 HZ2 TRP 96 HZ2 TRP 96 15.365 -1.857 0.261 656 HZ3 TRP 96 HZ3 TRP 96 11.587 -0.265 1.445 657 HH2 TRP 96 HH2 TRP 96 13.479 -0.324 -0.097 658 H LYS 97 H LYS 97 14.995 -1.732 5.497 659 HA LYS 97 HA LYS 97 13.246 0.591 5.855 660 HB2 LYS 97 1HB LYS 97 15.004 0.249 7.750 661 HB3 LYS 97 2HB LYS 97 16.157 0.814 6.548 662 HG2 LYS 97 1HG LYS 97 15.369 2.942 6.586 663 HG3 LYS 97 2HG LYS 97 13.719 2.444 6.963 664 HD2 LYS 97 1HD LYS 97 14.793 3.636 8.834 665 HD3 LYS 97 2HD LYS 97 14.350 1.980 9.258 666 HE2 LYS 97 1HE LYS 97 16.463 1.947 10.068 667 HE3 LYS 97 2HE LYS 97 16.849 1.557 8.393 668 HZ1 LYS 97 3HZ LYS 97 16.732 4.335 8.615 669 HZ2 LYS 97 1HZ LYS 97 18.089 3.370 8.311 670 HZ3 LYS 97 2HZ LYS 97 17.677 3.773 9.901 671 H CYS 98 H CYS 98 13.042 1.545 3.950 672 HA CYS 98 HA CYS 98 14.761 1.003 1.754 673 HB2 CYS 98 1HB CYS 98 13.318 2.344 0.474 674 HB3 CYS 98 2HB CYS 98 12.273 1.654 1.712 675 H LYS 99 H LYS 99 15.767 2.787 0.442 676 HA LYS 99 HA LYS 99 17.716 4.122 2.009 677 HB2 LYS 99 1HB LYS 99 18.257 3.377 -0.225 678 HB3 LYS 99 2HB LYS 99 16.986 4.379 -0.912 679 HG2 LYS 99 1HG LYS 99 18.169 6.380 -0.352 680 HG3 LYS 99 2HG LYS 99 19.373 5.469 0.562 681 HD2 LYS 99 1HD LYS 99 18.956 4.760 -2.295 682 HD3 LYS 99 2HD LYS 99 19.811 6.261 -1.929 683 HE2 LYS 99 1HE LYS 99 21.113 4.655 -0.262 684 HE3 LYS 99 2HE LYS 99 20.606 3.442 -1.436 685 HZ1 LYS 99 3HZ LYS 99 21.628 5.706 -2.776 686 HZ2 LYS 99 1HZ LYS 99 22.188 4.110 -2.810 687 HZ3 LYS 99 2HZ LYS 99 22.754 5.180 -1.629 688 H ASN 100 H ASN 100 14.760 5.172 0.402 689 HA ASN 100 HA ASN 100 15.090 7.937 0.669 690 HB2 ASN 100 1HB ASN 100 13.332 6.841 -0.709 691 HB3 ASN 100 2HB ASN 100 12.492 6.389 0.771 692 HD21 ASN 100 1HD2 ASN 100 11.860 8.197 -1.560 693 HD22 ASN 100 2HD2 ASN 100 11.359 9.677 -0.823 694 H CYS 101 H CYS 101 14.246 5.503 2.987 695 HA CYS 101 HA CYS 101 13.355 7.473 4.944 696 HB2 CYS 101 1HB CYS 101 13.366 4.477 4.822 697 HB3 CYS 101 2HB CYS 101 13.204 5.288 6.376 698 H ARG 102 H ARG 102 15.830 4.918 4.718 699 HA ARG 102 HA ARG 102 17.196 5.257 7.034 700 HB2 ARG 102 1HB ARG 102 18.987 4.189 6.045 701 HB3 ARG 102 2HB ARG 102 17.689 3.766 4.936 702 HG2 ARG 102 1HG ARG 102 18.396 5.418 3.365 703 HG3 ARG 102 2HG ARG 102 19.566 6.076 4.510 704 HD2 ARG 102 1HD ARG 102 20.504 4.576 2.708 705 HD3 ARG 102 2HD ARG 102 20.932 4.154 4.365 706 HE ARG 102 HE ARG 102 19.184 2.664 2.577 707 HH11 ARG 102 2HH1 ARG 102 20.514 3.065 5.769 708 HH12 ARG 102 1HH1 ARG 102 20.135 1.451 6.271 709 HH21 ARG 102 2HH2 ARG 102 18.680 0.536 3.226 710 HH22 ARG 102 1HH2 ARG 102 19.093 0.013 4.824 711 H ILE 103 H ILE 103 17.102 7.458 4.337 712 HA ILE 103 HA ILE 103 19.235 9.041 4.451 713 HB ILE 103 HB ILE 103 16.397 10.068 4.568 714 HG12 ILE 103 1HG1 ILE 103 16.602 8.637 2.686 715 HG13 ILE 103 2HG1 ILE 103 16.787 10.272 2.060 716 HG21 ILE 103 1HG2 ILE 103 17.205 12.128 3.665 717 HG22 ILE 103 2HG2 ILE 103 18.144 11.764 5.112 718 HG23 ILE 103 3HG2 ILE 103 18.840 11.482 3.517 719 HD11 ILE 103 3HD1 ILE 103 19.228 9.965 2.069 720 HD12 ILE 103 1HD1 ILE 103 18.994 8.304 2.611 721 HD13 ILE 103 2HD1 ILE 103 18.394 8.809 1.031 722 H CYS 104 H CYS 104 20.216 10.520 5.757 723 HA CYS 104 HA CYS 104 20.856 11.541 7.684 724 HB2 CYS 104 1HB CYS 104 17.872 11.769 7.790 725 HB3 CYS 104 2HB CYS 104 18.825 12.280 9.177 726 HG CYS 104 HG CYS 104 20.408 14.033 7.479 727 H ILE 105 H ILE 105 21.167 8.874 7.797 728 HA ILE 105 HA ILE 105 19.955 7.868 10.244 729 HB ILE 105 HB ILE 105 20.150 6.317 8.385 730 HG12 ILE 105 1HG1 ILE 105 22.192 5.452 10.423 731 HG13 ILE 105 2HG1 ILE 105 20.488 5.612 10.837 732 HG21 ILE 105 1HG2 ILE 105 22.668 7.524 8.033 733 HG22 ILE 105 2HG2 ILE 105 22.966 5.823 8.388 734 HG23 ILE 105 3HG2 ILE 105 21.917 6.273 7.043 735 HD11 ILE 105 3HD1 ILE 105 20.583 4.093 8.483 736 HD12 ILE 105 1HD1 ILE 105 21.842 3.458 9.541 737 HD13 ILE 105 2HD1 ILE 105 20.175 3.551 10.111 738 H SER 106 H SER 106 20.836 8.314 12.143 739 HA SER 106 HA SER 106 23.672 8.000 12.567 740 HB2 SER 106 1HB SER 106 23.647 10.309 11.810 741 HB3 SER 106 2HB SER 106 22.361 10.702 12.950 742 HG SER 106 HG SER 106 24.230 9.655 14.408 743 H GLY 107 H GLY 107 24.157 7.481 14.658 744 HA2 GLY 107 1HA GLY 107 22.231 6.431 16.328 745 HA3 GLY 107 2HA GLY 107 23.825 6.938 16.866 746 HA PRO 108 HA PRO 108 20.254 9.708 18.465 747 HB2 PRO 108 1HB PRO 108 19.834 8.568 20.893 748 HB3 PRO 108 2HB PRO 108 18.929 8.108 19.446 749 HG2 PRO 108 1HG PRO 108 21.277 6.758 20.721 750 HG3 PRO 108 2HG PRO 108 19.798 6.039 20.056 751 HD2 PRO 108 1HD PRO 108 22.140 6.077 18.696 752 HD3 PRO 108 2HD PRO 108 20.563 6.167 17.885 753 H SER 109 H SER 109 20.564 11.333 20.013 754 HA SER 109 HA SER 109 23.157 11.258 21.412 755 HB2 SER 109 1HB SER 109 23.122 12.802 19.437 756 HB3 SER 109 2HB SER 109 21.847 13.720 20.237 757 HG SER 109 HG SER 109 24.534 13.736 20.675 758 H SER 110 H SER 110 22.858 11.181 23.530 759 HA SER 110 HA SER 110 20.444 12.383 24.683 760 HB2 SER 110 1HB SER 110 22.331 10.233 25.605 761 HB3 SER 110 2HB SER 110 21.293 11.065 26.762 762 HG SER 110 HG SER 110 19.960 9.531 26.140 763 H GLY 111 H GLY 111 20.735 14.441 25.262 764 HA2 GLY 111 1HA GLY 111 21.509 16.124 26.678 765 HA3 GLY 111 2HA GLY 111 22.827 15.071 27.169 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -25.083 21.518 0.780 2 HA2 GLY 1 1HA GLY 1 -24.801 19.800 3.004 3 HA3 GLY 1 2HA GLY 1 -26.270 19.383 2.134 4 H SER 2 H SER 2 -23.206 20.550 0.803 5 HA SER 2 HA SER 2 -23.149 18.732 -1.308 6 HB2 SER 2 1HB SER 2 -20.898 20.250 0.024 7 HB3 SER 2 2HB SER 2 -20.712 19.343 -1.477 8 HG SER 2 HG SER 2 -22.043 20.745 -2.502 9 H SER 3 H SER 3 -23.183 16.592 -1.054 10 HA SER 3 HA SER 3 -20.990 15.310 0.335 11 HB2 SER 3 1HB SER 3 -23.797 15.252 1.339 12 HB3 SER 3 2HB SER 3 -22.867 13.756 1.420 13 HG SER 3 HG SER 3 -22.700 15.951 2.976 14 H GLY 4 H GLY 4 -20.915 12.972 -0.078 15 HA2 GLY 4 1HA GLY 4 -22.347 12.275 -2.569 16 HA3 GLY 4 2HA GLY 4 -20.665 11.853 -2.286 17 H SER 5 H SER 5 -20.528 10.750 0.095 18 HA SER 5 HA SER 5 -20.736 8.670 1.034 19 HB2 SER 5 1HB SER 5 -22.976 8.249 1.982 20 HB3 SER 5 2HB SER 5 -22.479 9.925 2.213 21 HG SER 5 HG SER 5 -24.473 8.861 0.578 22 H SER 6 H SER 6 -20.511 8.478 -1.729 23 HA SER 6 HA SER 6 -22.483 6.448 -2.504 24 HB2 SER 6 1HB SER 6 -20.478 8.023 -4.131 25 HB3 SER 6 2HB SER 6 -21.474 6.727 -4.795 26 HG SER 6 HG SER 6 -23.122 8.305 -3.523 27 H GLY 7 H GLY 7 -20.647 5.674 -0.567 28 HA2 GLY 7 1HA GLY 7 -19.751 3.392 -0.566 29 HA3 GLY 7 2HA GLY 7 -18.981 3.774 -2.099 30 H ALA 8 H ALA 8 -16.861 3.612 -1.684 31 HA ALA 8 HA ALA 8 -14.796 4.132 -0.878 32 HB1 ALA 8 3HB ALA 8 -16.064 6.468 0.529 33 HB2 ALA 8 1HB ALA 8 -14.397 6.300 -0.023 34 HB3 ALA 8 2HB ALA 8 -15.703 6.467 -1.197 35 H ASN 9 H ASN 9 -16.713 2.466 0.651 36 HA ASN 9 HA ASN 9 -15.959 2.964 3.422 37 HB2 ASN 9 1HB ASN 9 -17.899 1.114 2.069 38 HB3 ASN 9 2HB ASN 9 -17.400 0.813 3.731 39 HD21 ASN 9 1HD2 ASN 9 -20.015 1.291 3.129 40 HD22 ASN 9 2HD2 ASN 9 -20.489 2.830 3.757 41 H CYS 10 H CYS 10 -15.394 0.888 4.700 42 HA CYS 10 HA CYS 10 -12.896 -0.038 3.774 43 HB2 CYS 10 1HB CYS 10 -13.774 0.154 6.194 44 HB3 CYS 10 2HB CYS 10 -14.501 -1.424 5.909 45 H ALA 11 H ALA 11 -12.333 -1.745 2.578 46 HA ALA 11 HA ALA 11 -14.425 -3.415 1.465 47 HB1 ALA 11 3HB ALA 11 -12.712 -4.229 -0.048 48 HB2 ALA 11 1HB ALA 11 -12.688 -2.467 0.011 49 HB3 ALA 11 2HB ALA 11 -11.467 -3.395 0.881 50 H VAL 12 H VAL 12 -12.903 -3.552 4.280 51 HA VAL 12 HA VAL 12 -12.535 -6.476 4.222 52 HB VAL 12 HB VAL 12 -11.321 -4.404 6.049 53 HG11 VAL 12 1HG1 VAL 12 -12.044 -6.461 7.267 54 HG12 VAL 12 2HG1 VAL 12 -10.972 -7.393 6.220 55 HG13 VAL 12 3HG1 VAL 12 -10.306 -6.169 7.302 56 HG21 VAL 12 3HG2 VAL 12 -10.481 -5.537 3.610 57 HG22 VAL 12 1HG2 VAL 12 -9.561 -4.497 4.697 58 HG23 VAL 12 2HG2 VAL 12 -9.477 -6.250 4.872 59 H CYS 13 H CYS 13 -13.866 -3.785 6.100 60 HA CYS 13 HA CYS 13 -15.494 -5.718 7.610 61 HB2 CYS 13 1HB CYS 13 -15.642 -4.121 9.381 62 HB3 CYS 13 2HB CYS 13 -13.948 -4.207 8.909 63 H ASP 14 H ASP 14 -15.556 -2.951 5.512 64 HA ASP 14 HA ASP 14 -17.247 -2.032 4.288 65 HB2 ASP 14 1HB ASP 14 -18.035 -4.518 4.320 66 HB3 ASP 14 2HB ASP 14 -19.230 -3.944 5.479 67 H SER 15 H SER 15 -16.577 -0.729 6.519 68 HA SER 15 HA SER 15 -19.141 0.359 7.416 69 HB2 SER 15 1HB SER 15 -16.897 -0.492 9.258 70 HB3 SER 15 2HB SER 15 -18.251 0.522 9.757 71 HG SER 15 HG SER 15 -18.844 -1.879 8.473 72 HA PRO 16 HA PRO 16 -17.112 4.163 6.496 73 HB2 PRO 16 1HB PRO 16 -18.813 5.837 7.790 74 HB3 PRO 16 2HB PRO 16 -19.220 5.046 6.262 75 HG2 PRO 16 1HG PRO 16 -19.991 4.285 9.053 76 HG3 PRO 16 2HG PRO 16 -20.984 4.306 7.584 77 HD2 PRO 16 1HD PRO 16 -19.916 2.029 8.588 78 HD3 PRO 16 2HD PRO 16 -20.163 2.282 6.848 79 H GLY 17 H GLY 17 -18.300 3.873 9.855 80 HA2 GLY 17 1HA GLY 17 -17.420 4.788 11.801 81 HA3 GLY 17 2HA GLY 17 -16.028 3.851 11.277 82 H ASP 18 H ASP 18 -14.228 4.996 11.406 83 HA ASP 18 HA ASP 18 -14.340 7.899 11.079 84 HB2 ASP 18 1HB ASP 18 -12.402 5.996 12.333 85 HB3 ASP 18 2HB ASP 18 -11.826 7.573 11.799 86 H LEU 19 H LEU 19 -13.417 8.975 9.424 87 HA LEU 19 HA LEU 19 -12.484 7.410 7.167 88 HB2 LEU 19 1HB LEU 19 -13.296 10.246 7.605 89 HB3 LEU 19 2HB LEU 19 -12.305 9.845 6.203 90 HG LEU 19 HG LEU 19 -14.724 9.973 5.702 91 HD11 LEU 19 1HD1 LEU 19 -13.393 8.669 4.233 92 HD12 LEU 19 2HD1 LEU 19 -14.853 7.737 4.566 93 HD13 LEU 19 3HD1 LEU 19 -13.339 7.322 5.370 94 HD21 LEU 19 3HD2 LEU 19 -15.385 7.393 6.855 95 HD22 LEU 19 1HD2 LEU 19 -16.279 8.912 6.893 96 HD23 LEU 19 2HD2 LEU 19 -15.017 8.603 8.085 97 H LEU 20 H LEU 20 -11.246 9.994 9.264 98 HA LEU 20 HA LEU 20 -8.718 10.225 8.058 99 HB2 LEU 20 1HB LEU 20 -9.849 10.929 10.727 100 HB3 LEU 20 2HB LEU 20 -8.107 11.027 10.478 101 HG LEU 20 HG LEU 20 -8.595 12.570 8.538 102 HD11 LEU 20 1HD1 LEU 20 -10.811 13.738 8.701 103 HD12 LEU 20 2HD1 LEU 20 -11.346 12.424 9.749 104 HD13 LEU 20 3HD1 LEU 20 -10.874 12.087 8.083 105 HD21 LEU 20 3HD2 LEU 20 -9.704 13.940 10.889 106 HD22 LEU 20 1HD2 LEU 20 -8.283 14.319 9.915 107 HD23 LEU 20 2HD2 LEU 20 -8.188 13.081 11.167 108 H ASP 21 H ASP 21 -9.924 8.130 10.621 109 HA ASP 21 HA ASP 21 -7.511 7.083 11.535 110 HB2 ASP 21 1HB ASP 21 -10.332 6.113 11.483 111 HB3 ASP 21 2HB ASP 21 -9.066 4.960 11.896 112 H GLN 22 H GLN 22 -9.630 5.888 8.939 113 HA GLN 22 HA GLN 22 -7.681 3.884 8.176 114 HB2 GLN 22 1HB GLN 22 -9.344 3.296 6.428 115 HB3 GLN 22 2HB GLN 22 -10.007 3.259 8.056 116 HG2 GLN 22 1HG GLN 22 -10.952 5.519 7.663 117 HG3 GLN 22 2HG GLN 22 -10.394 5.415 5.994 118 HE21 GLN 22 1HE2 GLN 22 -13.104 5.638 7.125 119 HE22 GLN 22 2HE2 GLN 22 -13.986 4.299 6.483 120 H PHE 23 H PHE 23 -6.657 3.777 6.142 121 HA PHE 23 HA PHE 23 -5.889 6.358 5.109 122 HB2 PHE 23 1HB PHE 23 -5.058 3.579 4.247 123 HB3 PHE 23 2HB PHE 23 -4.309 5.082 3.718 124 HD1 PHE 23 HD2 PHE 23 -4.879 2.890 6.631 125 HD2 PHE 23 HD1 PHE 23 -2.689 6.175 5.038 126 HE1 PHE 23 HE2 PHE 23 -3.348 2.798 8.554 127 HE2 PHE 23 HE1 PHE 23 -1.154 6.087 6.959 128 HZ PHE 23 HZ PHE 23 -1.483 4.398 8.721 129 H PHE 24 H PHE 24 -5.714 6.623 2.676 130 HA PHE 24 HA PHE 24 -7.997 5.433 1.271 131 HB2 PHE 24 1HB PHE 24 -8.925 7.498 1.941 132 HB3 PHE 24 2HB PHE 24 -7.427 8.368 1.626 133 HD1 PHE 24 HD1 PHE 24 -10.073 6.419 -0.121 134 HD2 PHE 24 HD2 PHE 24 -7.181 9.534 -0.350 135 HE1 PHE 24 HE1 PHE 24 -10.896 7.013 -2.362 136 HE2 PHE 24 HE2 PHE 24 -8.000 10.133 -2.591 137 HZ PHE 24 HZ PHE 24 -9.860 8.873 -3.600 138 H CYS 25 H CYS 25 -7.124 4.395 -0.392 139 HA CYS 25 HA CYS 25 -4.593 4.925 -1.489 140 HB2 CYS 25 1HB CYS 25 -5.846 2.752 -1.637 141 HB3 CYS 25 2HB CYS 25 -6.877 3.493 -2.857 142 H THR 26 H THR 26 -4.072 5.635 -3.658 143 HA THR 26 HA THR 26 -5.817 7.841 -4.508 144 HB THR 26 HB THR 26 -3.852 8.774 -5.635 145 HG1 THR 26 HG1 THR 26 -1.943 7.716 -5.677 146 HG21 THR 26 3HG2 THR 26 -4.343 9.122 -3.141 147 HG22 THR 26 1HG2 THR 26 -2.733 9.545 -3.722 148 HG23 THR 26 2HG2 THR 26 -2.988 8.030 -2.855 149 H THR 27 H THR 27 -4.069 5.017 -5.688 150 HA THR 27 HA THR 27 -4.648 5.372 -8.432 151 HB THR 27 HB THR 27 -4.050 2.822 -6.920 152 HG1 THR 27 HG1 THR 27 -2.440 4.623 -7.008 153 HG21 THR 27 3HG2 THR 27 -3.281 2.903 -9.715 154 HG22 THR 27 1HG2 THR 27 -5.022 3.088 -9.510 155 HG23 THR 27 2HG2 THR 27 -4.199 1.681 -8.836 156 H CYS 28 H CYS 28 -6.043 2.994 -6.162 157 HA CYS 28 HA CYS 28 -8.345 2.670 -7.903 158 HB2 CYS 28 1HB CYS 28 -8.936 0.807 -6.536 159 HB3 CYS 28 2HB CYS 28 -7.190 0.738 -6.754 160 H GLY 29 H GLY 29 -7.619 3.847 -4.643 161 HA2 GLY 29 1HA GLY 29 -8.744 5.605 -3.565 162 HA3 GLY 29 2HA GLY 29 -10.052 5.453 -4.729 163 H GLN 30 H GLN 30 -8.643 2.850 -2.808 164 HA GLN 30 HA GLN 30 -11.296 2.280 -1.736 165 HB2 GLN 30 1HB GLN 30 -8.740 0.725 -1.953 166 HB3 GLN 30 2HB GLN 30 -9.991 0.216 -0.826 167 HG2 GLN 30 1HG GLN 30 -10.402 0.603 -3.781 168 HG3 GLN 30 2HG GLN 30 -10.087 -0.945 -2.999 169 HE21 GLN 30 1HE2 GLN 30 -11.618 -1.267 -1.018 170 HE22 GLN 30 2HE2 GLN 30 -13.291 -0.994 -1.353 171 H HIS 31 H HIS 31 -11.423 1.553 0.571 172 HA HIS 31 HA HIS 31 -9.684 3.220 2.270 173 HB2 HIS 31 1HB HIS 31 -12.637 2.641 2.518 174 HB3 HIS 31 2HB HIS 31 -11.683 3.341 3.822 175 HD1 HIS 31 HD1 HIS 31 -12.825 5.607 3.825 176 HD2 HIS 31 HD2 HIS 31 -11.292 4.554 0.110 177 HE1 HIS 31 HE1 HIS 31 -12.980 7.687 2.419 178 HE2 HIS 31 HE2 HIS 31 -12.126 7.001 0.151 179 H TYR 32 H TYR 32 -9.046 2.392 4.266 180 HA TYR 32 HA TYR 32 -9.887 -0.237 5.103 181 HB2 TYR 32 1HB TYR 32 -7.028 0.212 4.219 182 HB3 TYR 32 2HB TYR 32 -7.638 -1.235 5.015 183 HD1 TYR 32 HD1 TYR 32 -9.078 -2.803 3.815 184 HD2 TYR 32 HD2 TYR 32 -7.491 0.641 1.886 185 HE1 TYR 32 HE1 TYR 32 -9.653 -3.770 1.628 186 HE2 TYR 32 HE2 TYR 32 -8.063 -0.315 -0.306 187 HH TYR 32 HH TYR 32 -9.897 -3.303 -0.585 188 H HIS 33 H HIS 33 -9.879 -0.308 7.251 189 HA HIS 33 HA HIS 33 -8.797 1.872 8.767 190 HB2 HIS 33 1HB HIS 33 -10.114 -0.701 9.660 191 HB3 HIS 33 2HB HIS 33 -9.712 0.645 10.723 192 HD2 HIS 33 HD2 HIS 33 -11.091 3.147 9.713 193 HE1 HIS 33 HE1 HIS 33 -14.432 0.818 8.524 194 HE2 HIS 33 HE2 HIS 33 -13.558 3.144 8.933 195 H GLY 34 H GLY 34 -7.225 1.751 10.427 196 HA2 GLY 34 1HA GLY 34 -4.903 0.320 9.761 197 HA3 GLY 34 2HA GLY 34 -5.180 1.156 11.282 198 H MET 35 H MET 35 -7.561 -0.479 11.886 199 HA MET 35 HA MET 35 -6.147 -2.697 13.093 200 HB2 MET 35 1HB MET 35 -8.257 -3.117 14.275 201 HB3 MET 35 2HB MET 35 -7.757 -1.438 14.429 202 HG2 MET 35 1HG MET 35 -9.476 -0.660 13.140 203 HG3 MET 35 2HG MET 35 -9.632 -2.169 12.243 204 HE1 MET 35 3HE MET 35 -9.838 -4.294 13.647 205 HE2 MET 35 1HE MET 35 -10.799 -4.467 15.116 206 HE3 MET 35 2HE MET 35 -11.598 -4.360 13.548 207 H CYS 36 H CYS 36 -8.535 -2.163 10.580 208 HA CYS 36 HA CYS 36 -9.310 -4.861 10.232 209 HB2 CYS 36 1HB CYS 36 -9.494 -2.379 8.563 210 HB3 CYS 36 2HB CYS 36 -9.880 -3.938 7.842 211 H LEU 37 H LEU 37 -6.737 -2.897 8.841 212 HA LEU 37 HA LEU 37 -5.835 -5.160 7.222 213 HB2 LEU 37 1HB LEU 37 -5.371 -2.232 7.204 214 HB3 LEU 37 2HB LEU 37 -4.062 -3.261 6.627 215 HG LEU 37 HG LEU 37 -6.866 -3.247 5.514 216 HD11 LEU 37 1HD1 LEU 37 -5.409 -1.166 5.171 217 HD12 LEU 37 2HD1 LEU 37 -6.110 -1.931 3.745 218 HD13 LEU 37 3HD1 LEU 37 -4.414 -2.200 4.145 219 HD21 LEU 37 3HD2 LEU 37 -6.295 -4.992 4.244 220 HD22 LEU 37 1HD2 LEU 37 -4.978 -5.236 5.392 221 HD23 LEU 37 2HD2 LEU 37 -4.694 -4.333 3.903 222 H ASP 38 H ASP 38 -5.170 -3.564 10.167 223 HA ASP 38 HA ASP 38 -3.707 -4.084 11.844 224 HB2 ASP 38 1HB ASP 38 -3.920 -6.443 10.862 225 HB3 ASP 38 2HB ASP 38 -2.402 -6.110 10.033 226 H ILE 39 H ILE 39 -3.216 -1.948 10.173 227 HA ILE 39 HA ILE 39 -0.295 -2.010 9.804 228 HB ILE 39 HB ILE 39 -2.270 -0.090 8.566 229 HG12 ILE 39 1HG1 ILE 39 -0.738 -2.268 7.152 230 HG13 ILE 39 2HG1 ILE 39 -2.352 -2.533 7.803 231 HG21 ILE 39 1HG2 ILE 39 0.682 -0.298 8.582 232 HG22 ILE 39 2HG2 ILE 39 -0.084 0.126 7.052 233 HG23 ILE 39 3HG2 ILE 39 -0.356 1.124 8.480 234 HD11 ILE 39 3HD1 ILE 39 -2.824 -1.999 5.633 235 HD12 ILE 39 1HD1 ILE 39 -2.940 -0.414 6.396 236 HD13 ILE 39 2HD1 ILE 39 -1.485 -0.859 5.505 237 H ALA 40 H ALA 40 0.971 -0.341 10.620 238 HA ALA 40 HA ALA 40 -0.104 0.957 12.966 239 HB1 ALA 40 3HB ALA 40 2.500 0.204 12.001 240 HB2 ALA 40 1HB ALA 40 2.499 1.880 12.552 241 HB3 ALA 40 2HB ALA 40 1.980 0.592 13.640 242 H VAL 41 H VAL 41 -1.016 2.895 12.950 243 HA VAL 41 HA VAL 41 -1.035 4.570 10.657 244 HB VAL 41 HB VAL 41 -1.902 5.167 13.489 245 HG11 VAL 41 1HG1 VAL 41 -2.719 6.631 10.991 246 HG12 VAL 41 2HG1 VAL 41 -3.033 7.077 12.669 247 HG13 VAL 41 3HG1 VAL 41 -1.393 7.163 12.024 248 HG21 VAL 41 3HG2 VAL 41 -4.129 4.648 12.738 249 HG22 VAL 41 1HG2 VAL 41 -3.556 4.392 11.090 250 HG23 VAL 41 2HG2 VAL 41 -3.074 3.283 12.374 251 H THR 42 H THR 42 0.501 5.913 10.011 252 HA THR 42 HA THR 42 2.121 7.303 12.030 253 HB THR 42 HB THR 42 4.156 6.941 10.871 254 HG1 THR 42 HG1 THR 42 2.582 5.741 8.816 255 HG21 THR 42 3HG2 THR 42 4.496 4.682 11.221 256 HG22 THR 42 1HG2 THR 42 2.927 4.234 10.555 257 HG23 THR 42 2HG2 THR 42 3.029 4.963 12.158 258 HA PRO 43 HA PRO 43 1.277 10.949 9.730 259 HB2 PRO 43 1HB PRO 43 3.509 12.405 10.246 260 HB3 PRO 43 2HB PRO 43 2.253 12.112 11.454 261 HG2 PRO 43 1HG PRO 43 4.879 10.724 11.078 262 HG3 PRO 43 2HG PRO 43 4.102 11.262 12.579 263 HD2 PRO 43 1HD PRO 43 4.036 8.686 11.745 264 HD3 PRO 43 2HD PRO 43 2.709 9.427 12.663 265 H LEU 44 H LEU 44 3.623 8.768 8.819 266 HA LEU 44 HA LEU 44 4.576 10.369 6.560 267 HB2 LEU 44 1HB LEU 44 5.982 8.790 8.163 268 HB3 LEU 44 2HB LEU 44 5.470 7.571 6.999 269 HG LEU 44 HG LEU 44 7.691 8.414 6.473 270 HD11 LEU 44 1HD1 LEU 44 5.432 8.997 4.606 271 HD12 LEU 44 2HD1 LEU 44 6.630 7.705 4.548 272 HD13 LEU 44 3HD1 LEU 44 7.092 9.355 4.132 273 HD21 LEU 44 3HD2 LEU 44 7.321 10.953 5.467 274 HD22 LEU 44 1HD2 LEU 44 8.117 10.542 6.986 275 HD23 LEU 44 2HD2 LEU 44 6.408 10.975 6.976 276 H LYS 45 H LYS 45 3.218 7.129 7.167 277 HA LYS 45 HA LYS 45 2.752 6.442 4.501 278 HB2 LYS 45 1HB LYS 45 1.454 5.587 7.079 279 HB3 LYS 45 2HB LYS 45 0.933 4.937 5.530 280 HG2 LYS 45 1HG LYS 45 3.072 3.972 5.128 281 HG3 LYS 45 2HG LYS 45 3.771 4.806 6.517 282 HD2 LYS 45 1HD LYS 45 1.977 3.531 7.881 283 HD3 LYS 45 2HD LYS 45 1.870 2.489 6.460 284 HE2 LYS 45 1HE LYS 45 3.469 1.375 7.659 285 HE3 LYS 45 2HE LYS 45 4.490 2.450 6.705 286 HZ1 LYS 45 3HZ LYS 45 4.135 2.334 9.532 287 HZ2 LYS 45 1HZ LYS 45 3.856 3.894 8.941 288 HZ3 LYS 45 2HZ LYS 45 5.329 3.124 8.632 289 H ARG 46 H ARG 46 0.481 7.824 6.877 290 HA ARG 46 HA ARG 46 -1.830 8.029 5.579 291 HB2 ARG 46 1HB ARG 46 -0.461 10.323 6.995 292 HB3 ARG 46 2HB ARG 46 -2.173 10.275 6.594 293 HG2 ARG 46 1HG ARG 46 -2.619 8.606 8.148 294 HG3 ARG 46 2HG ARG 46 -0.926 8.117 8.249 295 HD2 ARG 46 1HD ARG 46 -0.371 9.841 9.655 296 HD3 ARG 46 2HD ARG 46 -1.654 10.888 9.052 297 HE ARG 46 HE ARG 46 -3.068 8.998 10.284 298 HH11 ARG 46 2HH1 ARG 46 -0.241 10.754 11.305 299 HH12 ARG 46 1HH1 ARG 46 -0.644 10.683 12.989 300 HH21 ARG 46 2HH2 ARG 46 -3.610 8.897 12.498 301 HH22 ARG 46 1HH2 ARG 46 -2.561 9.625 13.666 302 H ALA 47 H ALA 47 0.987 10.050 4.866 303 HA ALA 47 HA ALA 47 -0.243 11.667 2.910 304 HB1 ALA 47 3HB ALA 47 1.698 12.664 3.446 305 HB2 ALA 47 1HB ALA 47 2.495 11.138 3.830 306 HB3 ALA 47 2HB ALA 47 2.360 11.665 2.152 307 H GLY 48 H GLY 48 -1.044 11.062 1.014 308 HA2 GLY 48 1HA GLY 48 -1.500 9.717 -0.811 309 HA3 GLY 48 2HA GLY 48 0.227 9.902 -1.076 310 H TRP 49 H TRP 49 -1.663 8.090 1.339 311 HA TRP 49 HA TRP 49 0.100 5.860 1.229 312 HB2 TRP 49 1HB TRP 49 -1.037 6.222 3.283 313 HB3 TRP 49 2HB TRP 49 -2.607 6.287 2.487 314 HD1 TRP 49 HD1 TRP 49 -0.011 3.819 3.794 315 HE1 TRP 49 HE1 TRP 49 -1.054 1.466 3.844 316 HE3 TRP 49 HE3 TRP 49 -4.381 4.816 1.335 317 HZ2 TRP 49 HZ2 TRP 49 -3.416 0.200 2.957 318 HZ3 TRP 49 HZ3 TRP 49 -5.978 2.978 0.976 319 HH2 TRP 49 HH2 TRP 49 -5.503 0.719 1.771 320 H GLN 50 H GLN 50 0.106 4.171 -0.104 321 HA GLN 50 HA GLN 50 -2.173 3.840 -1.929 322 HB2 GLN 50 1HB GLN 50 0.392 4.170 -2.609 323 HB3 GLN 50 2HB GLN 50 0.396 2.423 -2.410 324 HG2 GLN 50 1HG GLN 50 -1.269 2.145 -4.080 325 HG3 GLN 50 2HG GLN 50 -1.572 3.880 -4.150 326 HE21 GLN 50 1HE2 GLN 50 -0.889 2.156 -6.326 327 HE22 GLN 50 2HE2 GLN 50 0.607 2.722 -6.977 328 H CYS 51 H CYS 51 -3.440 2.112 -1.766 329 HA CYS 51 HA CYS 51 -3.240 0.265 0.318 330 HB2 CYS 51 1HB CYS 51 -5.160 -0.735 -0.552 331 HB3 CYS 51 2HB CYS 51 -5.272 0.913 -1.161 332 HA PRO 52 HA PRO 52 -0.505 -2.886 -1.037 333 HB2 PRO 52 1HB PRO 52 -1.726 -5.131 -0.121 334 HB3 PRO 52 2HB PRO 52 -0.932 -3.966 0.945 335 HG2 PRO 52 1HG PRO 52 -3.840 -4.270 0.305 336 HG3 PRO 52 2HG PRO 52 -3.064 -3.975 1.872 337 HD2 PRO 52 1HD PRO 52 -4.229 -2.002 0.428 338 HD3 PRO 52 2HD PRO 52 -2.817 -1.719 1.466 339 H GLU 53 H GLU 53 -3.554 -2.543 -2.369 340 HA GLU 53 HA GLU 53 -3.288 -4.849 -4.153 341 HB2 GLU 53 1HB GLU 53 -5.556 -2.862 -4.077 342 HB3 GLU 53 2HB GLU 53 -5.553 -4.465 -4.799 343 HG2 GLU 53 1HG GLU 53 -5.104 -5.285 -2.388 344 HG3 GLU 53 2HG GLU 53 -5.695 -3.693 -1.918 345 H CYS 54 H CYS 54 -2.488 -1.592 -4.028 346 HA CYS 54 HA CYS 54 -2.324 -1.451 -6.968 347 HB2 CYS 54 1HB CYS 54 -2.807 0.764 -4.970 348 HB3 CYS 54 2HB CYS 54 -2.400 1.052 -6.658 349 H LYS 55 H LYS 55 -0.796 -0.535 -3.911 350 HA LYS 55 HA LYS 55 1.443 0.756 -4.552 351 HB2 LYS 55 1HB LYS 55 2.403 -0.036 -2.620 352 HB3 LYS 55 2HB LYS 55 0.725 -0.479 -2.336 353 HG2 LYS 55 1HG LYS 55 1.142 -2.746 -2.938 354 HG3 LYS 55 2HG LYS 55 2.766 -2.353 -3.506 355 HD2 LYS 55 1HD LYS 55 3.105 -1.505 -1.060 356 HD3 LYS 55 2HD LYS 55 1.725 -2.548 -0.711 357 HE2 LYS 55 1HE LYS 55 4.404 -3.316 -1.843 358 HE3 LYS 55 2HE LYS 55 3.661 -3.856 -0.337 359 HZ1 LYS 55 3HZ LYS 55 2.331 -5.330 -1.411 360 HZ2 LYS 55 1HZ LYS 55 3.628 -5.329 -2.498 361 HZ3 LYS 55 2HZ LYS 55 2.244 -4.417 -2.832 362 H VAL 56 H VAL 56 3.298 0.487 -5.669 363 HA VAL 56 HA VAL 56 3.982 -2.175 -6.680 364 HB VAL 56 HB VAL 56 4.360 -1.341 -8.941 365 HG11 VAL 56 1HG1 VAL 56 1.913 -1.886 -7.777 366 HG12 VAL 56 2HG1 VAL 56 1.619 -0.418 -8.711 367 HG13 VAL 56 3HG1 VAL 56 2.265 -1.855 -9.504 368 HG21 VAL 56 3HG2 VAL 56 3.160 0.964 -9.383 369 HG22 VAL 56 1HG2 VAL 56 3.585 1.247 -7.695 370 HG23 VAL 56 2HG2 VAL 56 4.848 0.896 -8.875 371 H CYS 57 H CYS 57 6.161 -2.049 -7.885 372 HA CYS 57 HA CYS 57 8.088 -1.029 -6.078 373 HB2 CYS 57 1HB CYS 57 8.425 -3.048 -7.488 374 HB3 CYS 57 2HB CYS 57 8.510 -2.011 -8.908 375 H GLN 58 H GLN 58 8.430 1.084 -5.842 376 HA GLN 58 HA GLN 58 7.948 3.023 -7.841 377 HB2 GLN 58 1HB GLN 58 9.369 3.082 -5.193 378 HB3 GLN 58 2HB GLN 58 9.344 4.494 -6.241 379 HG2 GLN 58 1HG GLN 58 6.813 3.112 -5.439 380 HG3 GLN 58 2HG GLN 58 7.580 4.308 -4.395 381 HE21 GLN 58 1HE2 GLN 58 5.704 3.766 -7.207 382 HE22 GLN 58 2HE2 GLN 58 5.454 5.421 -7.634 383 H ASN 59 H ASN 59 10.627 0.986 -7.184 384 HA ASN 59 HA ASN 59 12.682 2.587 -8.311 385 HB2 ASN 59 1HB ASN 59 12.843 0.455 -6.814 386 HB3 ASN 59 2HB ASN 59 12.756 -0.414 -8.344 387 HD21 ASN 59 1HD2 ASN 59 14.642 1.701 -6.348 388 HD22 ASN 59 2HD2 ASN 59 16.115 1.565 -7.241 389 H CYS 60 H CYS 60 10.936 -0.237 -9.621 390 HA CYS 60 HA CYS 60 11.697 0.641 -12.322 391 HB2 CYS 60 1HB CYS 60 11.292 -1.631 -13.048 392 HB3 CYS 60 2HB CYS 60 12.355 -1.662 -11.644 393 H LYS 61 H LYS 61 9.371 1.449 -10.454 394 HA LYS 61 HA LYS 61 7.096 1.772 -10.562 395 HB2 LYS 61 1HB LYS 61 7.913 2.372 -13.411 396 HB3 LYS 61 2HB LYS 61 6.424 2.910 -12.645 397 HG2 LYS 61 1HG LYS 61 9.124 3.622 -11.548 398 HG3 LYS 61 2HG LYS 61 8.329 4.582 -12.799 399 HD2 LYS 61 1HD LYS 61 6.541 5.146 -11.377 400 HD3 LYS 61 2HD LYS 61 6.961 3.886 -10.214 401 HE2 LYS 61 1HE LYS 61 7.675 5.896 -9.229 402 HE3 LYS 61 2HE LYS 61 9.139 5.150 -9.868 403 HZ1 LYS 61 3HZ LYS 61 9.465 6.841 -11.259 404 HZ2 LYS 61 1HZ LYS 61 8.325 7.693 -10.343 405 HZ3 LYS 61 2HZ LYS 61 7.847 6.887 -11.751 406 H GLN 62 H GLN 62 7.488 -0.905 -10.654 407 HA GLN 62 HA GLN 62 5.289 -1.759 -12.362 408 HB2 GLN 62 1HB GLN 62 8.043 -2.991 -12.435 409 HB3 GLN 62 2HB GLN 62 6.608 -3.807 -13.040 410 HG2 GLN 62 1HG GLN 62 7.257 -1.078 -14.040 411 HG3 GLN 62 2HG GLN 62 8.164 -2.462 -14.647 412 HE21 GLN 62 1HE2 GLN 62 6.128 -0.586 -15.841 413 HE22 GLN 62 2HE2 GLN 62 4.963 -1.632 -16.572 414 H SER 63 H SER 63 4.518 -3.954 -11.789 415 HA SER 63 HA SER 63 5.167 -4.675 -9.010 416 HB2 SER 63 1HB SER 63 2.688 -5.234 -8.769 417 HB3 SER 63 2HB SER 63 3.101 -3.520 -8.812 418 HG SER 63 HG SER 63 1.307 -4.147 -10.181 419 H GLY 64 H GLY 64 5.533 -6.781 -8.673 420 HA2 GLY 64 1HA GLY 64 4.338 -8.804 -10.368 421 HA3 GLY 64 2HA GLY 64 6.077 -8.630 -10.555 422 H GLU 65 H GLU 65 7.233 -10.000 -9.390 423 HA GLU 65 HA GLU 65 6.388 -11.906 -7.690 424 HB2 GLU 65 1HB GLU 65 8.970 -10.348 -7.538 425 HB3 GLU 65 2HB GLU 65 8.667 -11.811 -6.611 426 HG2 GLU 65 1HG GLU 65 8.311 -11.861 -9.567 427 HG3 GLU 65 2HG GLU 65 9.937 -11.910 -8.887 428 H ASP 66 H ASP 66 4.948 -11.626 -6.100 429 HA ASP 66 HA ASP 66 4.859 -9.329 -4.423 430 HB2 ASP 66 1HB ASP 66 2.901 -10.813 -5.003 431 HB3 ASP 66 2HB ASP 66 3.567 -12.007 -3.893 432 H SER 67 H SER 67 6.099 -12.613 -4.026 433 HA SER 67 HA SER 67 6.770 -12.347 -1.283 434 HB2 SER 67 1HB SER 67 7.397 -14.291 -3.455 435 HB3 SER 67 2HB SER 67 8.421 -14.304 -2.019 436 HG SER 67 HG SER 67 6.481 -15.690 -1.996 437 H LYS 68 H LYS 68 8.742 -12.179 -4.242 438 HA LYS 68 HA LYS 68 11.179 -11.583 -3.009 439 HB2 LYS 68 1HB LYS 68 10.165 -10.807 -5.749 440 HB3 LYS 68 2HB LYS 68 11.839 -10.661 -5.228 441 HG2 LYS 68 1HG LYS 68 10.396 -13.287 -5.152 442 HG3 LYS 68 2HG LYS 68 11.191 -12.702 -6.615 443 HD2 LYS 68 1HD LYS 68 13.202 -12.332 -4.928 444 HD3 LYS 68 2HD LYS 68 12.367 -13.607 -4.038 445 HE2 LYS 68 1HE LYS 68 12.402 -14.993 -6.095 446 HE3 LYS 68 2HE LYS 68 13.349 -13.735 -6.887 447 HZ1 LYS 68 3HZ LYS 68 14.847 -14.099 -4.768 448 HZ2 LYS 68 1HZ LYS 68 15.016 -15.060 -6.150 449 HZ3 LYS 68 2HZ LYS 68 14.147 -15.638 -4.819 450 H MET 69 H MET 69 8.655 -9.428 -4.265 451 HA MET 69 HA MET 69 9.864 -6.982 -3.944 452 HB2 MET 69 1HB MET 69 7.615 -7.343 -4.921 453 HB3 MET 69 2HB MET 69 6.980 -7.624 -3.306 454 HG2 MET 69 1HG MET 69 6.453 -5.447 -3.445 455 HG3 MET 69 2HG MET 69 8.121 -5.237 -2.917 456 HE1 MET 69 3HE MET 69 5.468 -4.538 -5.152 457 HE2 MET 69 1HE MET 69 6.217 -2.948 -4.997 458 HE3 MET 69 2HE MET 69 6.132 -3.733 -6.574 459 H LEU 70 H LEU 70 10.037 -5.474 -2.282 460 HA LEU 70 HA LEU 70 9.765 -6.596 0.428 461 HB2 LEU 70 1HB LEU 70 11.725 -4.642 -0.738 462 HB3 LEU 70 2HB LEU 70 11.494 -4.809 1.001 463 HG LEU 70 HG LEU 70 12.125 -7.256 -0.570 464 HD11 LEU 70 1HD1 LEU 70 13.842 -4.898 -0.423 465 HD12 LEU 70 2HD1 LEU 70 13.948 -6.320 -1.461 466 HD13 LEU 70 3HD1 LEU 70 14.601 -6.373 0.176 467 HD21 LEU 70 3HD2 LEU 70 12.356 -8.068 1.480 468 HD22 LEU 70 1HD2 LEU 70 11.940 -6.490 2.149 469 HD23 LEU 70 2HD2 LEU 70 13.626 -6.891 1.821 470 H VAL 71 H VAL 71 9.034 -5.236 2.110 471 HA VAL 71 HA VAL 71 7.560 -2.854 1.186 472 HB VAL 71 HB VAL 71 6.754 -4.761 3.387 473 HG11 VAL 71 1HG1 VAL 71 6.194 -2.228 3.533 474 HG12 VAL 71 2HG1 VAL 71 5.018 -2.599 2.270 475 HG13 VAL 71 3HG1 VAL 71 4.927 -3.417 3.830 476 HG21 VAL 71 3HG2 VAL 71 5.521 -5.892 1.908 477 HG22 VAL 71 1HG2 VAL 71 4.914 -4.411 1.167 478 HG23 VAL 71 2HG2 VAL 71 6.464 -5.081 0.658 479 H CYS 72 H CYS 72 7.691 -1.011 2.388 480 HA CYS 72 HA CYS 72 9.808 -0.920 4.377 481 HB2 CYS 72 1HB CYS 72 9.459 0.769 2.457 482 HB3 CYS 72 2HB CYS 72 8.170 1.431 3.458 483 H ASP 73 H ASP 73 9.550 -0.530 6.513 484 HA ASP 73 HA ASP 73 6.852 -0.742 7.574 485 HB2 ASP 73 1HB ASP 73 7.812 -1.407 9.580 486 HB3 ASP 73 2HB ASP 73 8.990 -1.992 8.408 487 H THR 74 H THR 74 8.434 1.752 6.408 488 HA THR 74 HA THR 74 7.587 3.596 8.548 489 HB THR 74 HB THR 74 9.772 4.010 6.498 490 HG1 THR 74 HG1 THR 74 10.500 4.211 9.097 491 HG21 THR 74 3HG2 THR 74 9.034 5.805 8.804 492 HG22 THR 74 1HG2 THR 74 8.450 6.058 7.160 493 HG23 THR 74 2HG2 THR 74 10.179 6.128 7.502 494 H CYS 75 H CYS 75 8.224 3.653 5.033 495 HA CYS 75 HA CYS 75 6.063 5.574 4.684 496 HB2 CYS 75 1HB CYS 75 6.893 5.864 2.443 497 HB3 CYS 75 2HB CYS 75 8.268 5.875 3.542 498 H ASP 76 H ASP 76 6.677 2.213 4.309 499 HA ASP 76 HA ASP 76 5.324 0.476 3.724 500 HB2 ASP 76 1HB ASP 76 3.595 2.037 4.891 501 HB3 ASP 76 2HB ASP 76 3.036 2.362 3.253 502 H LYS 77 H LYS 77 6.942 1.275 1.791 503 HA LYS 77 HA LYS 77 5.284 1.444 -0.638 504 HB2 LYS 77 1HB LYS 77 8.024 2.453 0.020 505 HB3 LYS 77 2HB LYS 77 7.629 2.067 -1.649 506 HG2 LYS 77 1HG LYS 77 5.927 3.904 0.003 507 HG3 LYS 77 2HG LYS 77 7.329 4.476 -0.905 508 HD2 LYS 77 1HD LYS 77 6.350 3.624 -2.971 509 HD3 LYS 77 2HD LYS 77 4.961 3.010 -2.071 510 HE2 LYS 77 1HE LYS 77 4.634 5.425 -1.292 511 HE3 LYS 77 2HE LYS 77 5.758 5.861 -2.579 512 HZ1 LYS 77 3HZ LYS 77 3.600 4.109 -3.381 513 HZ2 LYS 77 1HZ LYS 77 4.231 5.475 -4.154 514 HZ3 LYS 77 2HZ LYS 77 3.111 5.655 -2.899 515 H GLY 78 H GLY 78 6.463 0.405 -2.592 516 HA2 GLY 78 1HA GLY 78 7.341 -2.279 -1.732 517 HA3 GLY 78 2HA GLY 78 6.475 -1.943 -3.224 518 H TYR 79 H TYR 79 9.244 -3.085 -2.380 519 HA TYR 79 HA TYR 79 10.655 -1.876 -4.622 520 HB2 TYR 79 1HB TYR 79 11.647 -1.838 -1.781 521 HB3 TYR 79 2HB TYR 79 12.762 -1.790 -3.142 522 HD1 TYR 79 HD1 TYR 79 9.899 -0.007 -1.590 523 HD2 TYR 79 HD2 TYR 79 13.200 0.230 -4.263 524 HE1 TYR 79 HE1 TYR 79 9.591 2.428 -1.746 525 HE2 TYR 79 HE2 TYR 79 12.902 2.665 -4.426 526 HH TYR 79 HH TYR 79 10.132 4.273 -3.052 527 H HIS 80 H HIS 80 11.318 -3.493 -5.853 528 HA HIS 80 HA HIS 80 11.342 -6.190 -5.017 529 HB2 HIS 80 1HB HIS 80 12.507 -4.851 -7.463 530 HB3 HIS 80 2HB HIS 80 12.467 -6.597 -7.231 531 HD2 HIS 80 HD2 HIS 80 9.332 -6.776 -6.157 532 HE1 HIS 80 HE1 HIS 80 8.457 -5.016 -9.917 533 HE2 HIS 80 HE2 HIS 80 7.516 -6.213 -7.911 534 H THR 81 H THR 81 13.082 -7.629 -4.740 535 HA THR 81 HA THR 81 15.271 -6.573 -3.277 536 HB THR 81 HB THR 81 16.143 -9.016 -3.561 537 HG1 THR 81 HG1 THR 81 14.875 -10.333 -4.632 538 HG21 THR 81 3HG2 THR 81 14.758 -9.748 -1.748 539 HG22 THR 81 1HG2 THR 81 13.500 -8.586 -2.170 540 HG23 THR 81 2HG2 THR 81 15.048 -8.021 -1.540 541 H PHE 82 H PHE 82 14.759 -7.171 -6.613 542 HA PHE 82 HA PHE 82 17.645 -6.953 -7.148 543 HB2 PHE 82 1HB PHE 82 16.739 -7.671 -9.538 544 HB3 PHE 82 2HB PHE 82 17.071 -8.863 -8.285 545 HD1 PHE 82 HD1 PHE 82 15.111 -9.600 -6.816 546 HD2 PHE 82 HD2 PHE 82 14.637 -7.536 -10.508 547 HE1 PHE 82 HE1 PHE 82 12.789 -10.401 -6.962 548 HE2 PHE 82 HE2 PHE 82 12.314 -8.333 -10.660 549 HZ PHE 82 HZ PHE 82 11.387 -9.767 -8.885 550 H CYS 83 H CYS 83 15.769 -4.759 -6.511 551 HA CYS 83 HA CYS 83 16.122 -3.198 -8.984 552 HB2 CYS 83 1HB CYS 83 13.770 -3.389 -7.147 553 HB3 CYS 83 2HB CYS 83 14.099 -1.855 -7.946 554 H LEU 84 H LEU 84 16.664 -3.486 -5.632 555 HA LEU 84 HA LEU 84 17.103 -0.697 -5.102 556 HB2 LEU 84 1HB LEU 84 17.857 -3.164 -3.543 557 HB3 LEU 84 2HB LEU 84 18.047 -1.511 -2.962 558 HG LEU 84 HG LEU 84 15.335 -2.425 -3.791 559 HD11 LEU 84 1HD1 LEU 84 16.376 -4.217 -2.343 560 HD12 LEU 84 2HD1 LEU 84 14.885 -3.497 -1.739 561 HD13 LEU 84 3HD1 LEU 84 16.438 -3.012 -1.057 562 HD21 LEU 84 3HD2 LEU 84 16.103 -0.072 -2.983 563 HD22 LEU 84 1HD2 LEU 84 16.049 -0.809 -1.382 564 HD23 LEU 84 2HD2 LEU 84 14.595 -0.758 -2.378 565 H GLN 85 H GLN 85 19.094 0.329 -4.735 566 HA GLN 85 HA GLN 85 21.428 -1.055 -5.885 567 HB2 GLN 85 1HB GLN 85 20.414 1.735 -6.313 568 HB3 GLN 85 2HB GLN 85 22.128 1.382 -6.493 569 HG2 GLN 85 1HG GLN 85 21.657 -0.232 -8.221 570 HG3 GLN 85 2HG GLN 85 19.923 -0.014 -7.992 571 HE21 GLN 85 1HE2 GLN 85 18.956 1.923 -8.668 572 HE22 GLN 85 2HE2 GLN 85 19.717 2.955 -9.825 573 HA PRO 86 HA PRO 86 22.907 -2.053 -5.300 574 HB2 PRO 86 1HB PRO 86 23.562 -3.765 -3.297 575 HB3 PRO 86 2HB PRO 86 24.710 -2.613 -3.990 576 HG2 PRO 86 1HG PRO 86 23.108 -2.408 -1.469 577 HG3 PRO 86 2HG PRO 86 24.807 -1.987 -1.753 578 HD2 PRO 86 1HD PRO 86 22.839 -0.129 -1.682 579 HD3 PRO 86 2HD PRO 86 24.276 0.041 -2.710 580 H VAL 87 H VAL 87 22.097 -4.398 -5.090 581 HA VAL 87 HA VAL 87 19.262 -4.274 -4.462 582 HB VAL 87 HB VAL 87 19.399 -6.697 -5.432 583 HG11 VAL 87 1HG1 VAL 87 18.313 -4.798 -6.525 584 HG12 VAL 87 2HG1 VAL 87 19.871 -4.277 -7.170 585 HG13 VAL 87 3HG1 VAL 87 19.167 -5.808 -7.691 586 HG21 VAL 87 3HG2 VAL 87 21.239 -7.177 -6.840 587 HG22 VAL 87 1HG2 VAL 87 21.891 -5.548 -6.663 588 HG23 VAL 87 2HG2 VAL 87 21.927 -6.664 -5.299 589 H MET 88 H MET 88 18.228 -6.174 -3.401 590 HA MET 88 HA MET 88 19.797 -6.939 -1.046 591 HB2 MET 88 1HB MET 88 16.861 -6.673 -1.591 592 HB3 MET 88 2HB MET 88 17.419 -7.677 -0.260 593 HG2 MET 88 1HG MET 88 18.354 -4.852 -0.537 594 HG3 MET 88 2HG MET 88 16.795 -5.223 0.194 595 HE1 MET 88 3HE MET 88 17.959 -4.681 3.469 596 HE2 MET 88 1HE MET 88 16.748 -4.597 2.189 597 HE3 MET 88 2HE MET 88 16.873 -6.044 3.190 598 H LYS 89 H LYS 89 20.949 -8.698 -1.786 599 HA LYS 89 HA LYS 89 20.182 -10.744 -3.423 600 HB2 LYS 89 1HB LYS 89 21.854 -11.007 -0.917 601 HB3 LYS 89 2HB LYS 89 21.818 -12.157 -2.247 602 HG2 LYS 89 1HG LYS 89 22.660 -9.285 -2.548 603 HG3 LYS 89 2HG LYS 89 23.779 -10.614 -2.235 604 HD2 LYS 89 1HD LYS 89 23.420 -11.574 -4.317 605 HD3 LYS 89 2HD LYS 89 21.867 -10.764 -4.533 606 HE2 LYS 89 1HE LYS 89 23.507 -9.770 -5.999 607 HE3 LYS 89 2HE LYS 89 23.058 -8.612 -4.748 608 HZ1 LYS 89 3HZ LYS 89 25.523 -10.267 -4.812 609 HZ2 LYS 89 1HZ LYS 89 25.081 -9.247 -3.537 610 HZ3 LYS 89 2HZ LYS 89 25.426 -8.597 -5.059 611 H SER 90 H SER 90 19.484 -10.397 0.022 612 HA SER 90 HA SER 90 17.487 -12.541 -0.250 613 HB2 SER 90 1HB SER 90 19.311 -12.089 2.124 614 HB3 SER 90 2HB SER 90 18.003 -13.269 2.055 615 HG SER 90 HG SER 90 19.834 -14.359 1.510 616 H VAL 91 H VAL 91 16.021 -12.475 1.836 617 HA VAL 91 HA VAL 91 15.151 -9.679 2.124 618 HB VAL 91 HB VAL 91 13.625 -12.270 2.255 619 HG11 VAL 91 1HG1 VAL 91 12.312 -11.389 3.823 620 HG12 VAL 91 2HG1 VAL 91 13.109 -9.819 3.707 621 HG13 VAL 91 3HG1 VAL 91 11.789 -10.221 2.609 622 HG21 VAL 91 3HG2 VAL 91 14.101 -11.001 0.077 623 HG22 VAL 91 1HG2 VAL 91 12.432 -11.464 0.412 624 HG23 VAL 91 2HG2 VAL 91 12.958 -9.802 0.682 625 HA PRO 92 HA PRO 92 16.393 -9.917 6.374 626 HB2 PRO 92 1HB PRO 92 15.255 -7.584 7.171 627 HB3 PRO 92 2HB PRO 92 16.748 -7.652 6.227 628 HG2 PRO 92 1HG PRO 92 13.946 -7.139 5.306 629 HG3 PRO 92 2HG PRO 92 15.446 -6.321 4.833 630 HD2 PRO 92 1HD PRO 92 14.277 -8.222 3.300 631 HD3 PRO 92 2HD PRO 92 16.036 -7.988 3.354 632 H THR 93 H THR 93 15.484 -10.380 8.376 633 HA THR 93 HA THR 93 12.859 -11.505 8.327 634 HB THR 93 HB THR 93 13.248 -11.998 10.724 635 HG1 THR 93 HG1 THR 93 15.230 -11.375 11.646 636 HG21 THR 93 3HG2 THR 93 15.469 -12.663 8.795 637 HG22 THR 93 1HG2 THR 93 14.041 -13.627 9.171 638 HG23 THR 93 2HG2 THR 93 15.305 -13.412 10.383 639 H ASN 94 H ASN 94 11.337 -9.915 7.998 640 HA ASN 94 HA ASN 94 10.047 -8.065 8.407 641 HB2 ASN 94 1HB ASN 94 10.365 -9.462 11.038 642 HB3 ASN 94 2HB ASN 94 9.457 -7.955 10.964 643 HD21 ASN 94 1HD2 ASN 94 7.457 -7.929 10.064 644 HD22 ASN 94 2HD2 ASN 94 6.636 -9.345 9.511 645 H GLY 95 H GLY 95 12.679 -7.299 8.083 646 HA2 GLY 95 1HA GLY 95 12.724 -4.896 9.738 647 HA3 GLY 95 2HA GLY 95 14.134 -5.939 9.833 648 H TRP 96 H TRP 96 12.056 -4.545 7.289 649 HA TRP 96 HA TRP 96 14.504 -3.962 5.760 650 HB2 TRP 96 1HB TRP 96 12.786 -5.503 4.728 651 HB3 TRP 96 2HB TRP 96 11.690 -4.125 4.673 652 HD1 TRP 96 HD1 TRP 96 15.019 -5.335 3.154 653 HE1 TRP 96 HE1 TRP 96 15.387 -4.094 0.929 654 HE3 TRP 96 HE3 TRP 96 11.067 -2.099 3.365 655 HZ2 TRP 96 HZ2 TRP 96 14.164 -2.019 -0.542 656 HZ3 TRP 96 HZ3 TRP 96 10.736 -0.518 1.509 657 HH2 TRP 96 HH2 TRP 96 12.254 -0.480 -0.403 658 H LYS 97 H LYS 97 14.718 -1.945 4.723 659 HA LYS 97 HA LYS 97 12.774 0.136 5.276 660 HB2 LYS 97 1HB LYS 97 14.588 -0.159 7.198 661 HB3 LYS 97 2HB LYS 97 15.568 0.789 6.086 662 HG2 LYS 97 1HG LYS 97 13.562 2.406 6.046 663 HG3 LYS 97 2HG LYS 97 13.053 1.561 7.510 664 HD2 LYS 97 1HD LYS 97 15.820 2.695 7.205 665 HD3 LYS 97 2HD LYS 97 14.472 3.667 7.799 666 HE2 LYS 97 1HE LYS 97 14.124 1.694 9.454 667 HE3 LYS 97 2HE LYS 97 15.790 1.287 9.045 668 HZ1 LYS 97 3HZ LYS 97 14.781 3.404 10.698 669 HZ2 LYS 97 1HZ LYS 97 15.900 3.948 9.551 670 HZ3 LYS 97 2HZ LYS 97 16.329 2.726 10.638 671 H CYS 98 H CYS 98 12.571 1.292 3.484 672 HA CYS 98 HA CYS 98 14.365 1.037 1.299 673 HB2 CYS 98 1HB CYS 98 12.844 2.304 0.085 674 HB3 CYS 98 2HB CYS 98 11.816 1.597 1.327 675 H LYS 99 H LYS 99 15.156 3.098 0.143 676 HA LYS 99 HA LYS 99 17.051 4.361 1.858 677 HB2 LYS 99 1HB LYS 99 17.655 3.875 -0.428 678 HB3 LYS 99 2HB LYS 99 16.317 4.844 -1.033 679 HG2 LYS 99 1HG LYS 99 18.270 6.220 0.705 680 HG3 LYS 99 2HG LYS 99 18.826 5.739 -0.900 681 HD2 LYS 99 1HD LYS 99 16.198 7.119 -0.653 682 HD3 LYS 99 2HD LYS 99 17.673 8.075 -0.493 683 HE2 LYS 99 1HE LYS 99 17.360 8.224 -2.750 684 HE3 LYS 99 2HE LYS 99 18.340 6.761 -2.684 685 HZ1 LYS 99 3HZ LYS 99 16.572 5.441 -3.196 686 HZ2 LYS 99 1HZ LYS 99 16.117 6.838 -4.034 687 HZ3 LYS 99 2HZ LYS 99 15.427 6.492 -2.529 688 H ASN 100 H ASN 100 14.390 5.687 -0.119 689 HA ASN 100 HA ASN 100 14.440 8.302 0.561 690 HB2 ASN 100 1HB ASN 100 12.738 7.735 -0.920 691 HB3 ASN 100 2HB ASN 100 12.146 6.428 0.101 692 HD21 ASN 100 1HD2 ASN 100 12.637 9.940 0.292 693 HD22 ASN 100 2HD2 ASN 100 11.115 10.281 1.034 694 H CYS 101 H CYS 101 13.704 5.660 2.666 695 HA CYS 101 HA CYS 101 12.706 7.446 4.755 696 HB2 CYS 101 1HB CYS 101 12.752 4.466 4.396 697 HB3 CYS 101 2HB CYS 101 12.509 5.162 5.994 698 H ARG 102 H ARG 102 15.390 5.270 4.050 699 HA ARG 102 HA ARG 102 16.683 5.172 6.469 700 HB2 ARG 102 1HB ARG 102 18.563 4.478 5.320 701 HB3 ARG 102 2HB ARG 102 17.303 4.172 4.132 702 HG2 ARG 102 1HG ARG 102 17.980 5.873 2.766 703 HG3 ARG 102 2HG ARG 102 18.676 6.807 4.091 704 HD2 ARG 102 1HD ARG 102 20.629 5.565 4.113 705 HD3 ARG 102 2HD ARG 102 19.875 4.180 3.323 706 HE ARG 102 HE ARG 102 19.956 6.486 1.638 707 HH11 ARG 102 2HH1 ARG 102 21.823 3.801 2.832 708 HH12 ARG 102 1HH1 ARG 102 22.888 3.766 1.466 709 HH21 ARG 102 2HH2 ARG 102 21.352 6.449 -0.166 710 HH22 ARG 102 1HH2 ARG 102 22.620 5.273 -0.238 711 H ILE 103 H ILE 103 16.433 7.853 4.256 712 HA ILE 103 HA ILE 103 18.505 9.490 4.937 713 HB ILE 103 HB ILE 103 15.629 10.192 4.393 714 HG12 ILE 103 1HG1 ILE 103 16.972 11.181 2.324 715 HG13 ILE 103 2HG1 ILE 103 18.150 9.967 2.812 716 HG21 ILE 103 1HG2 ILE 103 16.627 11.943 5.801 717 HG22 ILE 103 2HG2 ILE 103 17.940 12.113 4.637 718 HG23 ILE 103 3HG2 ILE 103 16.288 12.515 4.168 719 HD11 ILE 103 3HD1 ILE 103 15.582 8.757 2.769 720 HD12 ILE 103 1HD1 ILE 103 15.821 9.633 1.257 721 HD13 ILE 103 2HD1 ILE 103 16.988 8.412 1.763 722 H CYS 104 H CYS 104 19.149 10.645 6.658 723 HA CYS 104 HA CYS 104 18.142 10.113 9.217 724 HB2 CYS 104 1HB CYS 104 19.680 11.805 10.010 725 HB3 CYS 104 2HB CYS 104 20.458 10.874 8.735 726 HG CYS 104 HG CYS 104 19.065 13.351 7.218 727 H ILE 105 H ILE 105 16.573 10.996 10.410 728 HA ILE 105 HA ILE 105 15.215 13.378 9.335 729 HB ILE 105 HB ILE 105 13.802 11.374 9.362 730 HG12 ILE 105 1HG1 ILE 105 12.881 13.246 11.543 731 HG13 ILE 105 2HG1 ILE 105 12.919 13.715 9.847 732 HG21 ILE 105 1HG2 ILE 105 13.104 10.795 11.887 733 HG22 ILE 105 2HG2 ILE 105 14.365 9.932 11.007 734 HG23 ILE 105 3HG2 ILE 105 14.798 11.216 12.136 735 HD11 ILE 105 3HD1 ILE 105 10.792 12.613 11.104 736 HD12 ILE 105 1HD1 ILE 105 11.072 12.554 9.364 737 HD13 ILE 105 2HD1 ILE 105 11.540 11.190 10.380 738 H SER 106 H SER 106 14.624 15.044 10.713 739 HA SER 106 HA SER 106 15.307 14.885 13.531 740 HB2 SER 106 1HB SER 106 17.416 15.571 12.359 741 HB3 SER 106 2HB SER 106 16.571 17.008 11.783 742 HG SER 106 HG SER 106 16.177 16.851 14.392 743 H GLY 107 H GLY 107 13.557 15.648 14.507 744 HA2 GLY 107 1HA GLY 107 12.626 18.212 14.463 745 HA3 GLY 107 2HA GLY 107 11.728 17.423 13.175 746 HA PRO 108 HA PRO 108 9.463 16.858 17.209 747 HB2 PRO 108 1HB PRO 108 7.074 17.758 16.286 748 HB3 PRO 108 2HB PRO 108 8.305 18.828 16.968 749 HG2 PRO 108 1HG PRO 108 7.671 18.256 14.099 750 HG3 PRO 108 2HG PRO 108 8.028 19.809 14.878 751 HD2 PRO 108 1HD PRO 108 9.874 18.437 13.449 752 HD3 PRO 108 2HD PRO 108 10.304 19.443 14.846 753 H SER 109 H SER 109 9.391 14.652 17.180 754 HA SER 109 HA SER 109 7.448 13.411 15.342 755 HB2 SER 109 1HB SER 109 8.811 11.320 15.582 756 HB3 SER 109 2HB SER 109 9.664 12.636 14.777 757 HG SER 109 HG SER 109 11.122 12.137 16.235 758 H SER 110 H SER 110 6.659 11.235 16.245 759 HA SER 110 HA SER 110 6.469 11.115 19.134 760 HB2 SER 110 1HB SER 110 4.044 11.639 17.402 761 HB3 SER 110 2HB SER 110 3.962 11.110 19.083 762 HG SER 110 HG SER 110 5.416 13.071 19.394 763 H GLY 111 H GLY 111 4.891 9.241 19.738 764 HA2 GLY 111 1HA GLY 111 5.890 6.899 18.469 765 HA3 GLY 111 2HA GLY 111 4.655 6.953 19.718 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -20.917 7.807 -12.964 2 HA2 GLY 1 1HA GLY 1 -22.782 9.643 -13.714 3 HA3 GLY 1 2HA GLY 1 -22.753 8.518 -15.064 4 H SER 2 H SER 2 -24.861 9.145 -13.068 5 HA SER 2 HA SER 2 -26.477 8.054 -11.895 6 HB2 SER 2 1HB SER 2 -25.262 5.756 -13.423 7 HB3 SER 2 2HB SER 2 -26.634 5.532 -12.338 8 HG SER 2 HG SER 2 -26.856 6.140 -14.779 9 H SER 3 H SER 3 -24.174 8.678 -10.480 10 HA SER 3 HA SER 3 -23.470 6.351 -8.883 11 HB2 SER 3 1HB SER 3 -21.962 7.975 -7.697 12 HB3 SER 3 2HB SER 3 -21.650 7.834 -9.427 13 HG SER 3 HG SER 3 -21.887 9.918 -9.429 14 H GLY 4 H GLY 4 -24.948 9.552 -8.384 15 HA2 GLY 4 1HA GLY 4 -26.412 10.306 -6.785 16 HA3 GLY 4 2HA GLY 4 -26.901 8.629 -6.591 17 H SER 5 H SER 5 -26.965 8.310 -4.454 18 HA SER 5 HA SER 5 -24.949 9.465 -2.720 19 HB2 SER 5 1HB SER 5 -27.502 9.172 -2.235 20 HB3 SER 5 2HB SER 5 -27.045 7.529 -1.787 21 HG SER 5 HG SER 5 -25.310 9.082 -0.610 22 H SER 6 H SER 6 -23.058 8.389 -3.303 23 HA SER 6 HA SER 6 -23.001 5.481 -2.932 24 HB2 SER 6 1HB SER 6 -21.207 7.434 -4.339 25 HB3 SER 6 2HB SER 6 -20.580 5.861 -3.845 26 HG SER 6 HG SER 6 -22.933 6.198 -5.391 27 H GLY 7 H GLY 7 -21.687 4.484 -1.437 28 HA2 GLY 7 1HA GLY 7 -20.367 6.281 0.505 29 HA3 GLY 7 2HA GLY 7 -21.281 4.862 0.996 30 H ALA 8 H ALA 8 -18.244 6.018 0.531 31 HA ALA 8 HA ALA 8 -17.083 3.504 -0.387 32 HB1 ALA 8 3HB ALA 8 -16.151 5.492 -1.358 33 HB2 ALA 8 1HB ALA 8 -15.832 6.174 0.237 34 HB3 ALA 8 2HB ALA 8 -14.939 4.755 -0.311 35 H ASN 9 H ASN 9 -17.078 2.001 1.187 36 HA ASN 9 HA ASN 9 -16.076 2.785 3.842 37 HB2 ASN 9 1HB ASN 9 -18.073 0.764 2.933 38 HB3 ASN 9 2HB ASN 9 -17.118 0.393 4.366 39 HD21 ASN 9 1HD2 ASN 9 -19.561 0.475 4.997 40 HD22 ASN 9 2HD2 ASN 9 -20.068 1.972 5.695 41 H CYS 10 H CYS 10 -15.055 0.764 4.988 42 HA CYS 10 HA CYS 10 -12.602 0.249 3.850 43 HB2 CYS 10 1HB CYS 10 -13.318 -0.141 6.253 44 HB3 CYS 10 2HB CYS 10 -14.003 -1.671 5.712 45 H ALA 11 H ALA 11 -11.669 -1.556 2.823 46 HA ALA 11 HA ALA 11 -13.548 -3.016 1.121 47 HB1 ALA 11 3HB ALA 11 -10.549 -2.851 0.877 48 HB2 ALA 11 1HB ALA 11 -11.686 -3.461 -0.325 49 HB3 ALA 11 2HB ALA 11 -11.676 -1.747 0.090 50 H VAL 12 H VAL 12 -11.710 -3.469 3.910 51 HA VAL 12 HA VAL 12 -11.383 -6.345 3.493 52 HB VAL 12 HB VAL 12 -10.484 -4.574 5.769 53 HG11 VAL 12 1HG1 VAL 12 -9.826 -6.373 6.939 54 HG12 VAL 12 2HG1 VAL 12 -11.013 -7.237 5.960 55 HG13 VAL 12 3HG1 VAL 12 -9.311 -7.246 5.496 56 HG21 VAL 12 3HG2 VAL 12 -9.081 -4.047 4.006 57 HG22 VAL 12 1HG2 VAL 12 -8.207 -5.361 4.795 58 HG23 VAL 12 2HG2 VAL 12 -9.143 -5.677 3.334 59 H CYS 13 H CYS 13 -12.720 -4.186 6.002 60 HA CYS 13 HA CYS 13 -14.348 -6.377 7.022 61 HB2 CYS 13 1HB CYS 13 -14.822 -4.957 8.897 62 HB3 CYS 13 2HB CYS 13 -13.098 -4.835 8.558 63 H ASP 14 H ASP 14 -14.667 -3.383 5.253 64 HA ASP 14 HA ASP 14 -16.386 -2.602 3.964 65 HB2 ASP 14 1HB ASP 14 -16.858 -5.134 3.698 66 HB3 ASP 14 2HB ASP 14 -18.138 -4.868 4.878 67 H SER 15 H SER 15 -15.983 -1.505 6.405 68 HA SER 15 HA SER 15 -18.709 -0.782 7.199 69 HB2 SER 15 1HB SER 15 -16.582 -1.920 8.952 70 HB3 SER 15 2HB SER 15 -17.596 -0.639 9.616 71 HG SER 15 HG SER 15 -19.339 -2.129 8.589 72 HA PRO 16 HA PRO 16 -17.220 3.343 6.988 73 HB2 PRO 16 1HB PRO 16 -18.859 4.557 8.781 74 HB3 PRO 16 2HB PRO 16 -19.411 4.005 7.194 75 HG2 PRO 16 1HG PRO 16 -19.696 2.682 9.865 76 HG3 PRO 16 2HG PRO 16 -20.890 2.846 8.564 77 HD2 PRO 16 1HD PRO 16 -19.487 0.567 8.975 78 HD3 PRO 16 2HD PRO 16 -20.005 1.091 7.360 79 H GLY 17 H GLY 17 -17.902 2.378 10.364 80 HA2 GLY 17 1HA GLY 17 -16.843 3.110 12.310 81 HA3 GLY 17 2HA GLY 17 -15.504 2.301 11.509 82 H ASP 18 H ASP 18 -13.727 3.486 11.602 83 HA ASP 18 HA ASP 18 -13.922 6.392 11.728 84 HB2 ASP 18 1HB ASP 18 -12.395 4.793 13.181 85 HB3 ASP 18 2HB ASP 18 -11.307 4.948 11.805 86 H LEU 19 H LEU 19 -13.438 7.718 10.094 87 HA LEU 19 HA LEU 19 -12.569 6.523 7.571 88 HB2 LEU 19 1HB LEU 19 -13.726 9.229 8.214 89 HB3 LEU 19 2HB LEU 19 -13.238 8.713 6.601 90 HG LEU 19 HG LEU 19 -15.406 7.400 8.238 91 HD11 LEU 19 1HD1 LEU 19 -16.222 8.775 5.823 92 HD12 LEU 19 2HD1 LEU 19 -15.512 9.874 7.005 93 HD13 LEU 19 3HD1 LEU 19 -16.886 8.863 7.454 94 HD21 LEU 19 3HD2 LEU 19 -14.829 5.750 6.783 95 HD22 LEU 19 1HD2 LEU 19 -14.164 6.873 5.597 96 HD23 LEU 19 2HD2 LEU 19 -15.911 6.669 5.735 97 H LEU 20 H LEU 20 -11.661 9.031 9.878 98 HA LEU 20 HA LEU 20 -9.477 10.056 8.393 99 HB2 LEU 20 1HB LEU 20 -10.177 10.135 11.316 100 HB3 LEU 20 2HB LEU 20 -8.740 10.919 10.662 101 HG LEU 20 HG LEU 20 -11.384 11.598 9.472 102 HD11 LEU 20 1HD1 LEU 20 -12.260 12.440 11.323 103 HD12 LEU 20 2HD1 LEU 20 -10.818 13.420 11.583 104 HD13 LEU 20 3HD1 LEU 20 -10.909 11.792 12.252 105 HD21 LEU 20 3HD2 LEU 20 -8.733 12.503 9.263 106 HD22 LEU 20 1HD2 LEU 20 -9.628 13.777 10.093 107 HD23 LEU 20 2HD2 LEU 20 -10.175 13.197 8.519 108 H ASP 21 H ASP 21 -9.587 7.831 11.176 109 HA ASP 21 HA ASP 21 -6.901 7.270 11.407 110 HB2 ASP 21 1HB ASP 21 -8.845 6.459 12.864 111 HB3 ASP 21 2HB ASP 21 -9.017 5.144 11.704 112 H GLN 22 H GLN 22 -9.275 5.691 9.293 113 HA GLN 22 HA GLN 22 -7.428 3.847 8.172 114 HB2 GLN 22 1HB GLN 22 -9.174 3.420 6.505 115 HB3 GLN 22 2HB GLN 22 -9.837 3.437 8.133 116 HG2 GLN 22 1HG GLN 22 -10.863 5.519 7.815 117 HG3 GLN 22 2HG GLN 22 -9.915 5.857 6.368 118 HE21 GLN 22 1HE2 GLN 22 -11.865 3.089 7.429 119 HE22 GLN 22 2HE2 GLN 22 -12.867 3.037 6.022 120 H PHE 23 H PHE 23 -6.658 3.811 5.969 121 HA PHE 23 HA PHE 23 -5.805 6.463 5.106 122 HB2 PHE 23 1HB PHE 23 -4.925 3.718 4.185 123 HB3 PHE 23 2HB PHE 23 -4.216 5.243 3.665 124 HD1 PHE 23 HD2 PHE 23 -4.926 3.288 6.753 125 HD2 PHE 23 HD1 PHE 23 -2.381 6.074 4.784 126 HE1 PHE 23 HE2 PHE 23 -3.371 3.207 8.657 127 HE2 PHE 23 HE1 PHE 23 -0.821 5.997 6.685 128 HZ PHE 23 HZ PHE 23 -1.315 4.564 8.626 129 H PHE 24 H PHE 24 -5.627 6.767 2.666 130 HA PHE 24 HA PHE 24 -7.922 5.599 1.259 131 HB2 PHE 24 1HB PHE 24 -8.784 7.692 2.005 132 HB3 PHE 24 2HB PHE 24 -7.303 8.536 1.565 133 HD1 PHE 24 HD2 PHE 24 -6.816 9.066 -0.760 134 HD2 PHE 24 HD1 PHE 24 -10.446 7.147 0.362 135 HE1 PHE 24 HE2 PHE 24 -7.779 9.612 -2.957 136 HE2 PHE 24 HE1 PHE 24 -11.415 7.689 -1.834 137 HZ PHE 24 HZ PHE 24 -10.081 8.924 -3.496 138 H CYS 25 H CYS 25 -7.064 4.564 -0.415 139 HA CYS 25 HA CYS 25 -4.535 5.126 -1.530 140 HB2 CYS 25 1HB CYS 25 -5.690 2.915 -1.634 141 HB3 CYS 25 2HB CYS 25 -6.810 3.597 -2.808 142 H THR 26 H THR 26 -4.048 5.833 -3.699 143 HA THR 26 HA THR 26 -5.839 7.993 -4.553 144 HB THR 26 HB THR 26 -3.893 8.854 -5.817 145 HG1 THR 26 HG1 THR 26 -2.880 6.401 -5.100 146 HG21 THR 26 3HG2 THR 26 -4.350 9.015 -3.125 147 HG22 THR 26 1HG2 THR 26 -3.162 9.972 -4.008 148 HG23 THR 26 2HG2 THR 26 -2.666 8.495 -3.180 149 H THR 27 H THR 27 -4.292 5.055 -5.661 150 HA THR 27 HA THR 27 -4.934 5.385 -8.419 151 HB THR 27 HB THR 27 -4.220 2.901 -6.850 152 HG1 THR 27 HG1 THR 27 -2.231 3.311 -8.214 153 HG21 THR 27 3HG2 THR 27 -5.029 3.293 -9.655 154 HG22 THR 27 1HG2 THR 27 -5.074 1.842 -8.655 155 HG23 THR 27 2HG2 THR 27 -3.565 2.341 -9.418 156 H CYS 28 H CYS 28 -6.196 3.010 -6.070 157 HA CYS 28 HA CYS 28 -8.587 2.670 -7.676 158 HB2 CYS 28 1HB CYS 28 -9.130 0.858 -6.176 159 HB3 CYS 28 2HB CYS 28 -7.430 0.731 -6.618 160 H GLY 29 H GLY 29 -7.722 3.851 -4.446 161 HA2 GLY 29 1HA GLY 29 -8.785 5.584 -3.287 162 HA3 GLY 29 2HA GLY 29 -10.102 5.523 -4.449 163 H GLN 30 H GLN 30 -8.763 2.856 -2.549 164 HA GLN 30 HA GLN 30 -11.442 2.309 -1.534 165 HB2 GLN 30 1HB GLN 30 -8.888 0.699 -1.455 166 HB3 GLN 30 2HB GLN 30 -10.402 0.175 -0.731 167 HG2 GLN 30 1HG GLN 30 -10.481 0.959 -3.579 168 HG3 GLN 30 2HG GLN 30 -9.640 -0.537 -3.178 169 HE21 GLN 30 1HE2 GLN 30 -12.658 1.159 -2.396 170 HE22 GLN 30 2HE2 GLN 30 -13.662 -0.247 -2.449 171 H HIS 31 H HIS 31 -11.480 1.406 0.788 172 HA HIS 31 HA HIS 31 -9.965 3.260 2.504 173 HB2 HIS 31 1HB HIS 31 -12.707 2.049 2.893 174 HB3 HIS 31 2HB HIS 31 -11.858 2.979 4.124 175 HD1 HIS 31 HD1 HIS 31 -13.867 4.682 4.023 176 HD2 HIS 31 HD2 HIS 31 -11.610 4.403 0.546 177 HE1 HIS 31 HE1 HIS 31 -14.488 6.698 2.654 178 HE2 HIS 31 HE2 HIS 31 -13.174 6.463 0.519 179 H TYR 32 H TYR 32 -8.871 2.489 4.250 180 HA TYR 32 HA TYR 32 -9.164 -0.313 5.005 181 HB2 TYR 32 1HB TYR 32 -6.591 0.909 4.003 182 HB3 TYR 32 2HB TYR 32 -6.648 -0.583 4.934 183 HD1 TYR 32 HD1 TYR 32 -7.761 -2.591 3.978 184 HD2 TYR 32 HD2 TYR 32 -7.152 0.943 1.688 185 HE1 TYR 32 HE1 TYR 32 -8.146 -3.870 1.912 186 HE2 TYR 32 HE2 TYR 32 -7.536 -0.326 -0.384 187 HH TYR 32 HH TYR 32 -8.555 -3.695 -0.313 188 H HIS 33 H HIS 33 -9.289 -0.410 7.138 189 HA HIS 33 HA HIS 33 -8.576 1.831 8.781 190 HB2 HIS 33 1HB HIS 33 -9.555 -0.934 9.520 191 HB3 HIS 33 2HB HIS 33 -9.381 0.407 10.648 192 HD2 HIS 33 HD2 HIS 33 -11.030 2.754 9.582 193 HE1 HIS 33 HE1 HIS 33 -14.022 0.014 8.342 194 HE2 HIS 33 HE2 HIS 33 -13.460 2.434 8.756 195 H GLY 34 H GLY 34 -7.076 1.824 10.525 196 HA2 GLY 34 1HA GLY 34 -4.546 0.799 9.891 197 HA3 GLY 34 2HA GLY 34 -5.010 1.458 11.453 198 H MET 35 H MET 35 -7.164 -0.592 11.716 199 HA MET 35 HA MET 35 -5.474 -2.664 12.849 200 HB2 MET 35 1HB MET 35 -8.468 -2.266 12.984 201 HB3 MET 35 2HB MET 35 -7.566 -3.488 13.871 202 HG2 MET 35 1HG MET 35 -6.851 -0.609 14.178 203 HG3 MET 35 2HG MET 35 -8.250 -1.265 15.026 204 HE1 MET 35 3HE MET 35 -4.652 -0.864 14.619 205 HE2 MET 35 1HE MET 35 -3.877 -1.702 15.964 206 HE3 MET 35 2HE MET 35 -4.309 -2.591 14.504 207 H CYS 36 H CYS 36 -8.122 -2.397 10.501 208 HA CYS 36 HA CYS 36 -8.461 -5.050 9.841 209 HB2 CYS 36 1HB CYS 36 -8.801 -2.485 8.362 210 HB3 CYS 36 2HB CYS 36 -8.868 -3.981 7.436 211 H LEU 37 H LEU 37 -5.949 -2.825 8.792 212 HA LEU 37 HA LEU 37 -4.722 -4.965 7.198 213 HB2 LEU 37 1HB LEU 37 -4.638 -2.001 7.116 214 HB3 LEU 37 2HB LEU 37 -3.184 -2.868 6.626 215 HG LEU 37 HG LEU 37 -5.917 -3.202 5.390 216 HD11 LEU 37 1HD1 LEU 37 -4.276 -1.065 5.077 217 HD12 LEU 37 2HD1 LEU 37 -5.396 -1.658 3.851 218 HD13 LEU 37 3HD1 LEU 37 -3.698 -2.134 3.799 219 HD21 LEU 37 3HD2 LEU 37 -3.281 -4.538 4.985 220 HD22 LEU 37 1HD2 LEU 37 -4.349 -4.293 3.603 221 HD23 LEU 37 2HD2 LEU 37 -4.906 -5.226 4.992 222 H ASP 38 H ASP 38 -4.623 -3.833 10.252 223 HA ASP 38 HA ASP 38 -3.134 -3.929 11.970 224 HB2 ASP 38 1HB ASP 38 -2.998 -6.294 10.910 225 HB3 ASP 38 2HB ASP 38 -1.431 -5.763 10.308 226 H ILE 39 H ILE 39 -2.789 -1.768 10.253 227 HA ILE 39 HA ILE 39 0.123 -1.499 9.989 228 HB ILE 39 HB ILE 39 -2.085 0.220 8.853 229 HG12 ILE 39 1HG1 ILE 39 -0.127 -1.538 7.374 230 HG13 ILE 39 2HG1 ILE 39 -1.719 -2.099 7.873 231 HG21 ILE 39 1HG2 ILE 39 -0.345 1.716 9.111 232 HG22 ILE 39 2HG2 ILE 39 0.890 0.486 8.850 233 HG23 ILE 39 3HG2 ILE 39 -0.052 1.092 7.488 234 HD11 ILE 39 3HD1 ILE 39 -1.241 0.278 6.095 235 HD12 ILE 39 1HD1 ILE 39 -1.602 -1.349 5.519 236 HD13 ILE 39 2HD1 ILE 39 -2.789 -0.471 6.484 237 H ALA 40 H ALA 40 1.195 0.350 10.805 238 HA ALA 40 HA ALA 40 -0.090 1.454 13.193 239 HB1 ALA 40 3HB ALA 40 2.444 0.427 12.760 240 HB2 ALA 40 1HB ALA 40 2.694 2.172 12.834 241 HB3 ALA 40 2HB ALA 40 1.906 1.335 14.173 242 H VAL 41 H VAL 41 -1.277 3.194 12.600 243 HA VAL 41 HA VAL 41 -1.002 4.956 10.569 244 HB VAL 41 HB VAL 41 -1.764 5.685 13.401 245 HG11 VAL 41 1HG1 VAL 41 -3.129 7.456 12.139 246 HG12 VAL 41 2HG1 VAL 41 -1.396 7.731 12.336 247 HG13 VAL 41 3HG1 VAL 41 -2.029 7.147 10.796 248 HG21 VAL 41 3HG2 VAL 41 -3.655 5.113 11.146 249 HG22 VAL 41 1HG2 VAL 41 -3.013 3.813 12.150 250 HG23 VAL 41 2HG2 VAL 41 -3.962 5.107 12.882 251 H THR 42 H THR 42 0.365 6.506 9.938 252 HA THR 42 HA THR 42 2.230 7.666 11.875 253 HB THR 42 HB THR 42 3.608 5.966 10.983 254 HG1 THR 42 HG1 THR 42 4.889 7.396 9.340 255 HG21 THR 42 3HG2 THR 42 3.101 4.970 9.058 256 HG22 THR 42 1HG2 THR 42 3.644 6.405 8.189 257 HG23 THR 42 2HG2 THR 42 1.954 6.253 8.671 258 HA PRO 43 HA PRO 43 1.260 11.412 9.780 259 HB2 PRO 43 1HB PRO 43 3.448 12.878 10.442 260 HB3 PRO 43 2HB PRO 43 2.166 12.491 11.596 261 HG2 PRO 43 1HG PRO 43 4.828 11.178 11.213 262 HG3 PRO 43 2HG PRO 43 4.001 11.613 12.720 263 HD2 PRO 43 1HD PRO 43 4.010 9.089 11.739 264 HD3 PRO 43 2HD PRO 43 2.644 9.751 12.660 265 H LEU 44 H LEU 44 3.492 9.271 8.706 266 HA LEU 44 HA LEU 44 4.556 11.037 6.615 267 HB2 LEU 44 1HB LEU 44 6.243 9.797 7.793 268 HB3 LEU 44 2HB LEU 44 5.378 8.285 7.525 269 HG LEU 44 HG LEU 44 5.779 8.863 4.997 270 HD11 LEU 44 1HD1 LEU 44 7.660 10.159 4.504 271 HD12 LEU 44 2HD1 LEU 44 8.195 10.188 6.184 272 HD13 LEU 44 3HD1 LEU 44 6.774 11.112 5.695 273 HD21 LEU 44 3HD2 LEU 44 7.961 7.657 5.138 274 HD22 LEU 44 1HD2 LEU 44 6.641 6.879 6.011 275 HD23 LEU 44 2HD2 LEU 44 7.862 7.795 6.894 276 H LYS 45 H LYS 45 3.022 7.856 7.033 277 HA LYS 45 HA LYS 45 2.643 7.339 4.288 278 HB2 LYS 45 1HB LYS 45 1.329 6.293 6.785 279 HB3 LYS 45 2HB LYS 45 0.806 5.771 5.189 280 HG2 LYS 45 1HG LYS 45 2.897 4.781 4.721 281 HG3 LYS 45 2HG LYS 45 3.657 5.559 6.111 282 HD2 LYS 45 1HD LYS 45 1.790 4.234 7.429 283 HD3 LYS 45 2HD LYS 45 1.847 3.196 6.002 284 HE2 LYS 45 1HE LYS 45 4.153 2.730 6.332 285 HE3 LYS 45 2HE LYS 45 4.299 3.989 7.558 286 HZ1 LYS 45 3HZ LYS 45 4.025 1.469 8.198 287 HZ2 LYS 45 1HZ LYS 45 2.381 1.835 8.037 288 HZ3 LYS 45 2HZ LYS 45 3.335 2.695 9.137 289 H ARG 46 H ARG 46 0.419 8.633 6.749 290 HA ARG 46 HA ARG 46 -1.916 8.925 5.523 291 HB2 ARG 46 1HB ARG 46 -0.391 10.988 7.094 292 HB3 ARG 46 2HB ARG 46 -2.021 11.303 6.513 293 HG2 ARG 46 1HG ARG 46 -2.714 9.185 7.711 294 HG3 ARG 46 2HG ARG 46 -1.123 9.217 8.475 295 HD2 ARG 46 1HD ARG 46 -2.793 10.259 9.907 296 HD3 ARG 46 2HD ARG 46 -1.599 11.441 9.372 297 HE ARG 46 HE ARG 46 -4.407 11.336 8.638 298 HH11 ARG 46 2HH1 ARG 46 -1.262 12.716 8.068 299 HH12 ARG 46 1HH1 ARG 46 -1.879 14.113 7.251 300 HH21 ARG 46 2HH2 ARG 46 -5.232 13.171 7.564 301 HH22 ARG 46 1HH2 ARG 46 -4.138 14.372 6.966 302 H ALA 47 H ALA 47 0.919 10.911 4.777 303 HA ALA 47 HA ALA 47 -0.506 12.267 2.633 304 HB1 ALA 47 3HB ALA 47 2.191 12.600 3.888 305 HB2 ALA 47 1HB ALA 47 1.817 13.354 2.338 306 HB3 ALA 47 2HB ALA 47 0.865 13.756 3.768 307 H GLY 48 H GLY 48 -0.843 10.866 0.969 308 HA2 GLY 48 1HA GLY 48 -0.199 9.932 -1.063 309 HA3 GLY 48 2HA GLY 48 1.482 10.114 -0.584 310 H TRP 49 H TRP 49 -1.274 8.369 0.848 311 HA TRP 49 HA TRP 49 0.435 6.073 1.316 312 HB2 TRP 49 1HB TRP 49 -1.118 6.773 3.072 313 HB3 TRP 49 2HB TRP 49 -2.480 6.542 1.979 314 HD1 TRP 49 HD1 TRP 49 0.237 4.468 3.784 315 HE1 TRP 49 HE1 TRP 49 -0.675 2.087 4.132 316 HE3 TRP 49 HE3 TRP 49 -4.176 4.911 1.242 317 HZ2 TRP 49 HZ2 TRP 49 -2.963 0.593 3.422 318 HZ3 TRP 49 HZ3 TRP 49 -5.669 2.959 1.123 319 HH2 TRP 49 HH2 TRP 49 -5.074 0.846 2.190 320 H GLN 50 H GLN 50 0.292 4.108 0.326 321 HA GLN 50 HA GLN 50 -1.629 3.879 -1.895 322 HB2 GLN 50 1HB GLN 50 1.306 3.375 -1.804 323 HB3 GLN 50 2HB GLN 50 0.321 2.323 -2.811 324 HG2 GLN 50 1HG GLN 50 -0.631 4.573 -3.726 325 HG3 GLN 50 2HG GLN 50 0.870 5.237 -3.082 326 HE21 GLN 50 1HE2 GLN 50 -0.584 3.770 -5.701 327 HE22 GLN 50 2HE2 GLN 50 0.835 3.333 -6.583 328 H CYS 51 H CYS 51 -2.763 2.023 -2.054 329 HA CYS 51 HA CYS 51 -2.657 0.186 0.158 330 HB2 CYS 51 1HB CYS 51 -4.697 -0.639 -0.604 331 HB3 CYS 51 2HB CYS 51 -4.743 1.036 -1.142 332 HA PRO 52 HA PRO 52 -0.211 -3.025 -1.562 333 HB2 PRO 52 1HB PRO 52 -1.468 -5.243 -0.627 334 HB3 PRO 52 2HB PRO 52 -0.520 -4.168 0.408 335 HG2 PRO 52 1HG PRO 52 -3.486 -4.295 0.022 336 HG3 PRO 52 2HG PRO 52 -2.560 -4.108 1.523 337 HD2 PRO 52 1HD PRO 52 -3.738 -2.018 0.268 338 HD3 PRO 52 2HD PRO 52 -2.226 -1.853 1.184 339 H GLU 53 H GLU 53 -3.358 -2.487 -2.583 340 HA GLU 53 HA GLU 53 -3.366 -4.716 -4.480 341 HB2 GLU 53 1HB GLU 53 -5.491 -2.642 -3.911 342 HB3 GLU 53 2HB GLU 53 -5.667 -4.023 -4.984 343 HG2 GLU 53 1HG GLU 53 -4.889 -4.529 -2.165 344 HG3 GLU 53 2HG GLU 53 -6.555 -4.063 -2.505 345 H CYS 54 H CYS 54 -2.577 -1.414 -4.286 346 HA CYS 54 HA CYS 54 -2.551 -1.212 -7.227 347 HB2 CYS 54 1HB CYS 54 -2.925 0.971 -5.169 348 HB3 CYS 54 2HB CYS 54 -2.677 1.267 -6.886 349 H LYS 55 H LYS 55 -0.929 -0.043 -4.282 350 HA LYS 55 HA LYS 55 1.267 1.188 -5.061 351 HB2 LYS 55 1HB LYS 55 2.373 0.446 -3.164 352 HB3 LYS 55 2HB LYS 55 0.695 0.117 -2.756 353 HG2 LYS 55 1HG LYS 55 0.961 -2.208 -3.271 354 HG3 LYS 55 2HG LYS 55 2.590 -1.927 -3.891 355 HD2 LYS 55 1HD LYS 55 3.091 -1.009 -1.534 356 HD3 LYS 55 2HD LYS 55 1.606 -1.836 -1.058 357 HE2 LYS 55 1HE LYS 55 4.108 -3.039 -2.220 358 HE3 LYS 55 2HE LYS 55 3.406 -3.327 -0.629 359 HZ1 LYS 55 3HZ LYS 55 1.672 -3.926 -2.871 360 HZ2 LYS 55 1HZ LYS 55 1.946 -4.799 -1.448 361 HZ3 LYS 55 2HZ LYS 55 3.033 -4.921 -2.737 362 H VAL 56 H VAL 56 3.220 0.833 -6.059 363 HA VAL 56 HA VAL 56 3.833 -1.838 -7.064 364 HB VAL 56 HB VAL 56 4.180 -1.073 -9.349 365 HG11 VAL 56 1HG1 VAL 56 2.012 -1.319 -9.985 366 HG12 VAL 56 2HG1 VAL 56 1.833 -1.746 -8.282 367 HG13 VAL 56 3HG1 VAL 56 1.421 -0.121 -8.834 368 HG21 VAL 56 3HG2 VAL 56 3.802 1.536 -8.126 369 HG22 VAL 56 1HG2 VAL 56 4.573 1.102 -9.652 370 HG23 VAL 56 2HG2 VAL 56 2.825 1.323 -9.579 371 H CYS 57 H CYS 57 5.983 -1.652 -8.416 372 HA CYS 57 HA CYS 57 7.948 -0.623 -6.622 373 HB2 CYS 57 1HB CYS 57 8.251 -2.697 -7.965 374 HB3 CYS 57 2HB CYS 57 8.329 -1.708 -9.420 375 H GLN 58 H GLN 58 8.648 1.396 -6.524 376 HA GLN 58 HA GLN 58 8.106 3.249 -8.679 377 HB2 GLN 58 1HB GLN 58 9.214 3.528 -5.899 378 HB3 GLN 58 2HB GLN 58 9.287 4.862 -7.042 379 HG2 GLN 58 1HG GLN 58 6.673 3.524 -6.598 380 HG3 GLN 58 2HG GLN 58 7.295 4.601 -5.349 381 HE21 GLN 58 1HE2 GLN 58 5.499 4.420 -8.127 382 HE22 GLN 58 2HE2 GLN 58 5.506 6.089 -8.570 383 H ASN 59 H ASN 59 10.306 1.006 -8.539 384 HA ASN 59 HA ASN 59 12.573 2.700 -9.338 385 HB2 ASN 59 1HB ASN 59 12.490 -0.205 -8.495 386 HB3 ASN 59 2HB ASN 59 13.940 0.634 -9.040 387 HD21 ASN 59 1HD2 ASN 59 13.217 -0.624 -6.457 388 HD22 ASN 59 2HD2 ASN 59 13.473 0.605 -5.269 389 H CYS 60 H CYS 60 10.436 0.132 -10.389 390 HA CYS 60 HA CYS 60 11.480 0.464 -13.118 391 HB2 CYS 60 1HB CYS 60 11.290 -1.903 -13.544 392 HB3 CYS 60 2HB CYS 60 12.296 -1.671 -12.117 393 H LYS 61 H LYS 61 8.922 0.821 -11.117 394 HA LYS 61 HA LYS 61 6.668 1.036 -11.369 395 HB2 LYS 61 1HB LYS 61 7.835 1.835 -13.983 396 HB3 LYS 61 2HB LYS 61 6.094 1.588 -13.927 397 HG2 LYS 61 1HG LYS 61 6.579 3.906 -13.550 398 HG3 LYS 61 2HG LYS 61 5.962 3.195 -12.057 399 HD2 LYS 61 1HD LYS 61 7.746 4.203 -11.123 400 HD3 LYS 61 2HD LYS 61 8.627 2.805 -11.746 401 HE2 LYS 61 1HE LYS 61 8.231 5.255 -13.427 402 HE3 LYS 61 2HE LYS 61 9.531 5.175 -12.239 403 HZ1 LYS 61 3HZ LYS 61 9.416 2.839 -13.883 404 HZ2 LYS 61 1HZ LYS 61 10.722 3.865 -13.560 405 HZ3 LYS 61 2HZ LYS 61 9.635 4.244 -14.799 406 H GLN 62 H GLN 62 7.185 -1.530 -11.138 407 HA GLN 62 HA GLN 62 5.276 -2.769 -12.961 408 HB2 GLN 62 1HB GLN 62 8.111 -3.701 -12.560 409 HB3 GLN 62 2HB GLN 62 6.842 -4.795 -13.093 410 HG2 GLN 62 1HG GLN 62 6.456 -2.892 -14.886 411 HG3 GLN 62 2HG GLN 62 8.149 -2.557 -14.530 412 HE21 GLN 62 1HE2 GLN 62 7.622 -3.267 -17.018 413 HE22 GLN 62 2HE2 GLN 62 8.115 -4.890 -17.340 414 H SER 63 H SER 63 3.896 -4.053 -11.912 415 HA SER 63 HA SER 63 4.623 -4.923 -9.190 416 HB2 SER 63 1HB SER 63 2.862 -3.212 -9.168 417 HB3 SER 63 2HB SER 63 1.882 -4.195 -10.256 418 HG SER 63 HG SER 63 2.786 -5.279 -7.827 419 H GLY 64 H GLY 64 4.772 -7.045 -8.929 420 HA2 GLY 64 1HA GLY 64 2.870 -8.891 -9.941 421 HA3 GLY 64 2HA GLY 64 4.328 -8.931 -10.921 422 H GLU 65 H GLU 65 6.407 -8.985 -9.478 423 HA GLU 65 HA GLU 65 6.282 -11.426 -8.015 424 HB2 GLU 65 1HB GLU 65 8.553 -9.438 -8.188 425 HB3 GLU 65 2HB GLU 65 8.673 -11.108 -7.652 426 HG2 GLU 65 1HG GLU 65 7.769 -10.320 -10.407 427 HG3 GLU 65 2HG GLU 65 9.448 -10.656 -9.992 428 H ASP 66 H ASP 66 4.732 -10.854 -6.373 429 HA ASP 66 HA ASP 66 5.048 -8.813 -4.498 430 HB2 ASP 66 1HB ASP 66 3.568 -10.169 -3.046 431 HB3 ASP 66 2HB ASP 66 2.966 -10.050 -4.697 432 H SER 67 H SER 67 5.924 -12.254 -4.145 433 HA SER 67 HA SER 67 7.098 -12.222 -1.687 434 HB2 SER 67 1HB SER 67 8.599 -14.053 -2.538 435 HB3 SER 67 2HB SER 67 6.890 -14.290 -2.904 436 HG SER 67 HG SER 67 8.908 -14.224 -4.599 437 H LYS 68 H LYS 68 8.939 -11.796 -4.715 438 HA LYS 68 HA LYS 68 11.344 -11.033 -3.539 439 HB2 LYS 68 1HB LYS 68 10.229 -10.188 -6.221 440 HB3 LYS 68 2HB LYS 68 11.914 -10.065 -5.734 441 HG2 LYS 68 1HG LYS 68 12.031 -12.499 -5.528 442 HG3 LYS 68 2HG LYS 68 10.342 -12.618 -6.028 443 HD2 LYS 68 1HD LYS 68 11.411 -12.986 -8.029 444 HD3 LYS 68 2HD LYS 68 11.184 -11.237 -8.095 445 HE2 LYS 68 1HE LYS 68 13.466 -10.923 -7.248 446 HE3 LYS 68 2HE LYS 68 13.687 -12.671 -7.209 447 HZ1 LYS 68 3HZ LYS 68 13.347 -10.933 -9.581 448 HZ2 LYS 68 1HZ LYS 68 13.173 -12.614 -9.660 449 HZ3 LYS 68 2HZ LYS 68 14.654 -11.938 -9.202 450 H MET 69 H MET 69 8.551 -9.090 -4.479 451 HA MET 69 HA MET 69 9.660 -6.550 -4.134 452 HB2 MET 69 1HB MET 69 7.491 -6.901 -5.195 453 HB3 MET 69 2HB MET 69 6.817 -7.467 -3.672 454 HG2 MET 69 1HG MET 69 7.135 -5.272 -2.689 455 HG3 MET 69 2HG MET 69 7.877 -4.697 -4.181 456 HE1 MET 69 3HE MET 69 6.501 -4.147 -6.421 457 HE2 MET 69 1HE MET 69 5.061 -3.219 -5.999 458 HE3 MET 69 2HE MET 69 6.579 -2.927 -5.149 459 H LEU 70 H LEU 70 10.144 -5.333 -2.404 460 HA LEU 70 HA LEU 70 9.705 -6.516 0.243 461 HB2 LEU 70 1HB LEU 70 11.588 -4.349 -0.675 462 HB3 LEU 70 2HB LEU 70 11.437 -4.907 0.990 463 HG LEU 70 HG LEU 70 12.376 -6.577 -1.341 464 HD11 LEU 70 1HD1 LEU 70 14.557 -6.305 -0.576 465 HD12 LEU 70 2HD1 LEU 70 14.034 -5.676 0.986 466 HD13 LEU 70 3HD1 LEU 70 13.871 -4.684 -0.462 467 HD21 LEU 70 3HD2 LEU 70 11.352 -7.303 1.213 468 HD22 LEU 70 1HD2 LEU 70 13.079 -7.660 1.177 469 HD23 LEU 70 2HD2 LEU 70 12.012 -8.343 -0.051 470 H VAL 71 H VAL 71 8.109 -5.751 1.444 471 HA VAL 71 HA VAL 71 6.942 -3.151 0.821 472 HB VAL 71 HB VAL 71 6.000 -5.296 2.730 473 HG11 VAL 71 1HG1 VAL 71 3.812 -3.862 2.314 474 HG12 VAL 71 2HG1 VAL 71 4.958 -3.460 3.595 475 HG13 VAL 71 3HG1 VAL 71 4.998 -2.580 2.067 476 HG21 VAL 71 3HG2 VAL 71 4.253 -5.683 1.014 477 HG22 VAL 71 1HG2 VAL 71 5.101 -4.564 -0.054 478 HG23 VAL 71 2HG2 VAL 71 5.879 -6.065 0.448 479 H CYS 72 H CYS 72 7.961 -1.489 1.757 480 HA CYS 72 HA CYS 72 9.397 -1.650 4.191 481 HB2 CYS 72 1HB CYS 72 9.779 0.032 2.355 482 HB3 CYS 72 2HB CYS 72 8.317 0.854 2.889 483 H ASP 73 H ASP 73 8.932 -0.440 6.161 484 HA ASP 73 HA ASP 73 6.084 -0.621 6.841 485 HB2 ASP 73 1HB ASP 73 7.854 -1.886 8.168 486 HB3 ASP 73 2HB ASP 73 8.380 -0.318 8.775 487 H THR 74 H THR 74 8.868 1.549 7.052 488 HA THR 74 HA THR 74 7.583 3.663 8.388 489 HB THR 74 HB THR 74 9.909 3.769 6.458 490 HG1 THR 74 HG1 THR 74 10.246 4.064 9.206 491 HG21 THR 74 3HG2 THR 74 10.359 5.872 7.977 492 HG22 THR 74 1HG2 THR 74 8.608 5.830 8.178 493 HG23 THR 74 2HG2 THR 74 9.307 5.987 6.567 494 H CYS 75 H CYS 75 8.397 3.427 4.919 495 HA CYS 75 HA CYS 75 6.441 5.495 4.318 496 HB2 CYS 75 1HB CYS 75 7.388 5.544 2.119 497 HB3 CYS 75 2HB CYS 75 8.724 5.453 3.262 498 H ASP 76 H ASP 76 7.063 2.099 3.500 499 HA ASP 76 HA ASP 76 5.636 0.413 2.927 500 HB2 ASP 76 1HB ASP 76 4.121 1.567 4.630 501 HB3 ASP 76 2HB ASP 76 3.333 2.332 3.253 502 H LYS 77 H LYS 77 6.876 1.489 0.892 503 HA LYS 77 HA LYS 77 4.868 2.186 -1.134 504 HB2 LYS 77 1HB LYS 77 7.839 2.600 -0.954 505 HB3 LYS 77 2HB LYS 77 7.009 2.692 -2.502 506 HG2 LYS 77 1HG LYS 77 6.004 4.303 -0.203 507 HG3 LYS 77 2HG LYS 77 7.427 4.844 -1.097 508 HD2 LYS 77 1HD LYS 77 6.217 5.022 -3.113 509 HD3 LYS 77 2HD LYS 77 4.858 4.097 -2.470 510 HE2 LYS 77 1HE LYS 77 4.615 5.995 -0.770 511 HE3 LYS 77 2HE LYS 77 5.689 6.911 -1.826 512 HZ1 LYS 77 3HZ LYS 77 4.055 7.263 -3.279 513 HZ2 LYS 77 1HZ LYS 77 2.992 6.757 -2.064 514 HZ3 LYS 77 2HZ LYS 77 3.525 5.657 -3.233 515 H GLY 78 H GLY 78 7.955 0.390 -1.154 516 HA2 GLY 78 1HA GLY 78 7.737 -2.075 -1.566 517 HA3 GLY 78 2HA GLY 78 6.619 -1.632 -2.847 518 H TYR 79 H TYR 79 9.641 -2.684 -2.326 519 HA TYR 79 HA TYR 79 10.540 -1.720 -4.924 520 HB2 TYR 79 1HB TYR 79 12.337 -1.522 -2.504 521 HB3 TYR 79 2HB TYR 79 12.693 -0.986 -4.142 522 HD1 TYR 79 HD2 TYR 79 11.499 0.996 -5.073 523 HD2 TYR 79 HD1 TYR 79 11.132 -0.141 -0.989 524 HE1 TYR 79 HE2 TYR 79 10.630 3.233 -4.534 525 HE2 TYR 79 HE1 TYR 79 10.261 2.093 -0.439 526 HH TYR 79 HH TYR 79 10.591 4.562 -1.716 527 H HIS 80 H HIS 80 11.093 -3.454 -6.046 528 HA HIS 80 HA HIS 80 11.366 -6.026 -5.023 529 HB2 HIS 80 1HB HIS 80 12.586 -4.980 -7.586 530 HB3 HIS 80 2HB HIS 80 12.205 -6.659 -7.213 531 HD2 HIS 80 HD2 HIS 80 9.102 -6.128 -6.158 532 HE1 HIS 80 HE1 HIS 80 8.568 -4.547 -10.059 533 HE2 HIS 80 HE2 HIS 80 7.422 -5.365 -7.971 534 H THR 81 H THR 81 13.084 -7.308 -4.457 535 HA THR 81 HA THR 81 15.227 -6.241 -3.116 536 HB THR 81 HB THR 81 16.349 -8.481 -3.429 537 HG1 THR 81 HG1 THR 81 14.140 -8.771 -5.165 538 HG21 THR 81 3HG2 THR 81 15.103 -9.288 -1.740 539 HG22 THR 81 1HG2 THR 81 13.614 -9.226 -2.683 540 HG23 THR 81 2HG2 THR 81 14.209 -7.774 -1.878 541 H PHE 82 H PHE 82 15.223 -7.480 -6.455 542 HA PHE 82 HA PHE 82 17.928 -6.820 -6.973 543 HB2 PHE 82 1HB PHE 82 17.174 -7.045 -9.410 544 HB3 PHE 82 2HB PHE 82 16.981 -8.459 -8.380 545 HD1 PHE 82 HD2 PHE 82 15.247 -5.772 -10.159 546 HD2 PHE 82 HD1 PHE 82 14.800 -9.260 -7.760 547 HE1 PHE 82 HE2 PHE 82 12.859 -5.865 -10.745 548 HE2 PHE 82 HE1 PHE 82 12.411 -9.359 -8.343 549 HZ PHE 82 HZ PHE 82 11.438 -7.660 -9.836 550 H CYS 83 H CYS 83 14.985 -5.005 -7.037 551 HA CYS 83 HA CYS 83 16.065 -2.863 -8.653 552 HB2 CYS 83 1HB CYS 83 13.466 -3.278 -7.190 553 HB3 CYS 83 2HB CYS 83 13.881 -1.723 -7.903 554 H LEU 84 H LEU 84 17.306 -3.666 -6.039 555 HA LEU 84 HA LEU 84 17.143 -1.047 -4.699 556 HB2 LEU 84 1HB LEU 84 17.756 -3.761 -3.545 557 HB3 LEU 84 2HB LEU 84 17.939 -2.247 -2.662 558 HG LEU 84 HG LEU 84 15.329 -3.291 -3.759 559 HD11 LEU 84 1HD1 LEU 84 16.794 -4.099 -1.464 560 HD12 LEU 84 2HD1 LEU 84 15.183 -4.598 -1.978 561 HD13 LEU 84 3HD1 LEU 84 15.377 -3.194 -0.929 562 HD21 LEU 84 3HD2 LEU 84 14.390 -1.370 -3.118 563 HD22 LEU 84 1HD2 LEU 84 16.028 -0.720 -3.077 564 HD23 LEU 84 2HD2 LEU 84 15.288 -1.337 -1.599 565 H GLN 85 H GLN 85 18.992 0.071 -4.352 566 HA GLN 85 HA GLN 85 21.513 -1.210 -5.181 567 HB2 GLN 85 1HB GLN 85 20.340 1.434 -5.897 568 HB3 GLN 85 2HB GLN 85 22.085 1.335 -5.703 569 HG2 GLN 85 1HG GLN 85 22.268 -0.289 -7.427 570 HG3 GLN 85 2HG GLN 85 20.518 -0.489 -7.505 571 HE21 GLN 85 1HE2 GLN 85 19.292 1.512 -8.075 572 HE22 GLN 85 2HE2 GLN 85 19.971 2.539 -9.287 573 HA PRO 86 HA PRO 86 23.053 -2.027 -4.471 574 HB2 PRO 86 1HB PRO 86 23.669 -3.669 -2.399 575 HB3 PRO 86 2HB PRO 86 24.761 -2.408 -2.983 576 HG2 PRO 86 1HG PRO 86 22.902 -2.366 -0.637 577 HG3 PRO 86 2HG PRO 86 24.572 -1.779 -0.752 578 HD2 PRO 86 1HD PRO 86 22.432 -0.125 -0.894 579 HD3 PRO 86 2HD PRO 86 23.942 0.188 -1.774 580 H VAL 87 H VAL 87 22.432 -4.406 -4.404 581 HA VAL 87 HA VAL 87 19.562 -4.575 -4.063 582 HB VAL 87 HB VAL 87 21.624 -6.353 -5.320 583 HG11 VAL 87 1HG1 VAL 87 18.741 -7.117 -4.877 584 HG12 VAL 87 2HG1 VAL 87 19.969 -8.058 -5.726 585 HG13 VAL 87 3HG1 VAL 87 20.108 -7.788 -3.988 586 HG21 VAL 87 3HG2 VAL 87 20.839 -4.668 -6.771 587 HG22 VAL 87 1HG2 VAL 87 19.966 -6.129 -7.231 588 HG23 VAL 87 2HG2 VAL 87 19.167 -4.895 -6.258 589 H MET 88 H MET 88 18.473 -6.113 -2.804 590 HA MET 88 HA MET 88 19.878 -6.846 -0.374 591 HB2 MET 88 1HB MET 88 16.986 -6.916 -1.210 592 HB3 MET 88 2HB MET 88 17.536 -7.652 0.290 593 HG2 MET 88 1HG MET 88 18.241 -4.816 -0.283 594 HG3 MET 88 2HG MET 88 16.611 -5.214 0.256 595 HE1 MET 88 3HE MET 88 16.778 -7.414 2.470 596 HE2 MET 88 1HE MET 88 16.953 -6.320 3.843 597 HE3 MET 88 2HE MET 88 15.918 -5.874 2.486 598 H LYS 89 H LYS 89 21.218 -8.540 -0.958 599 HA LYS 89 HA LYS 89 20.744 -10.696 -2.556 600 HB2 LYS 89 1HB LYS 89 22.793 -10.028 -1.015 601 HB3 LYS 89 2HB LYS 89 22.076 -11.216 0.065 602 HG2 LYS 89 1HG LYS 89 23.523 -12.538 -1.098 603 HG3 LYS 89 2HG LYS 89 22.077 -12.708 -2.096 604 HD2 LYS 89 1HD LYS 89 24.225 -10.662 -2.622 605 HD3 LYS 89 2HD LYS 89 24.214 -12.269 -3.352 606 HE2 LYS 89 1HE LYS 89 21.832 -11.670 -4.119 607 HE3 LYS 89 2HE LYS 89 22.280 -10.008 -3.739 608 HZ1 LYS 89 3HZ LYS 89 22.979 -11.584 -6.001 609 HZ2 LYS 89 1HZ LYS 89 24.364 -10.992 -5.230 610 HZ3 LYS 89 2HZ LYS 89 23.165 -9.921 -5.756 611 H SER 90 H SER 90 19.652 -10.233 0.764 612 HA SER 90 HA SER 90 17.947 -12.617 0.453 613 HB2 SER 90 1HB SER 90 19.534 -11.689 2.835 614 HB3 SER 90 2HB SER 90 18.112 -12.713 3.037 615 HG SER 90 HG SER 90 20.341 -13.335 1.392 616 H VAL 91 H VAL 91 16.144 -12.518 2.246 617 HA VAL 91 HA VAL 91 14.934 -9.839 2.057 618 HB VAL 91 HB VAL 91 13.587 -12.531 2.318 619 HG11 VAL 91 1HG1 VAL 91 11.552 -11.502 2.533 620 HG12 VAL 91 2HG1 VAL 91 12.570 -10.366 3.420 621 HG13 VAL 91 3HG1 VAL 91 12.097 -10.016 1.756 622 HG21 VAL 91 3HG2 VAL 91 14.451 -12.178 0.094 623 HG22 VAL 91 1HG2 VAL 91 12.697 -11.991 0.070 624 HG23 VAL 91 2HG2 VAL 91 13.737 -10.567 0.033 625 HA PRO 92 HA PRO 92 15.180 -9.530 6.454 626 HB2 PRO 92 1HB PRO 92 13.369 -7.537 6.796 627 HB3 PRO 92 2HB PRO 92 14.989 -7.262 6.144 628 HG2 PRO 92 1HG PRO 92 12.386 -7.547 4.692 629 HG3 PRO 92 2HG PRO 92 13.702 -6.392 4.413 630 HD2 PRO 92 1HD PRO 92 13.364 -8.609 2.897 631 HD3 PRO 92 2HD PRO 92 14.965 -7.921 3.239 632 H THR 93 H THR 93 14.017 -10.071 8.310 633 HA THR 93 HA THR 93 11.306 -11.138 7.864 634 HB THR 93 HB THR 93 11.815 -12.914 9.525 635 HG1 THR 93 HG1 THR 93 14.560 -12.442 9.187 636 HG21 THR 93 3HG2 THR 93 12.280 -14.215 7.777 637 HG22 THR 93 1HG2 THR 93 13.921 -13.577 7.691 638 HG23 THR 93 2HG2 THR 93 12.613 -12.765 6.830 639 H ASN 94 H ASN 94 12.167 -8.535 8.906 640 HA ASN 94 HA ASN 94 10.412 -8.351 11.106 641 HB2 ASN 94 1HB ASN 94 12.358 -9.441 12.241 642 HB3 ASN 94 2HB ASN 94 13.332 -8.032 11.828 643 HD21 ASN 94 1HD2 ASN 94 13.636 -7.898 14.147 644 HD22 ASN 94 2HD2 ASN 94 12.446 -7.094 15.107 645 H GLY 95 H GLY 95 9.503 -6.503 10.460 646 HA2 GLY 95 1HA GLY 95 9.359 -4.405 9.444 647 HA3 GLY 95 2HA GLY 95 10.319 -4.008 10.861 648 H TRP 96 H TRP 96 10.342 -4.531 7.430 649 HA TRP 96 HA TRP 96 13.199 -4.226 7.172 650 HB2 TRP 96 1HB TRP 96 12.126 -5.607 5.539 651 HB3 TRP 96 2HB TRP 96 10.954 -4.350 5.155 652 HD1 TRP 96 HD1 TRP 96 14.843 -4.554 5.076 653 HE1 TRP 96 HE1 TRP 96 15.637 -3.492 2.870 654 HE3 TRP 96 HE3 TRP 96 10.302 -3.251 3.124 655 HZ2 TRP 96 HZ2 TRP 96 14.489 -2.264 0.602 656 HZ3 TRP 96 HZ3 TRP 96 10.237 -2.136 0.932 657 HH2 TRP 96 HH2 TRP 96 12.288 -1.653 -0.301 658 H LYS 97 H LYS 97 14.188 -2.496 5.918 659 HA LYS 97 HA LYS 97 12.691 0.033 5.998 660 HB2 LYS 97 1HB LYS 97 15.249 -0.653 7.332 661 HB3 LYS 97 2HB LYS 97 15.171 0.922 6.554 662 HG2 LYS 97 1HG LYS 97 13.050 0.013 8.467 663 HG3 LYS 97 2HG LYS 97 14.544 0.770 9.024 664 HD2 LYS 97 1HD LYS 97 13.902 2.571 7.205 665 HD3 LYS 97 2HD LYS 97 12.279 1.934 7.481 666 HE2 LYS 97 1HE LYS 97 14.131 2.981 9.620 667 HE3 LYS 97 2HE LYS 97 12.791 3.878 8.907 668 HZ1 LYS 97 3HZ LYS 97 12.392 1.265 10.235 669 HZ2 LYS 97 1HZ LYS 97 11.234 2.441 9.863 670 HZ3 LYS 97 2HZ LYS 97 12.357 2.720 11.096 671 H CYS 98 H CYS 98 12.503 0.637 3.943 672 HA CYS 98 HA CYS 98 14.328 -0.154 1.902 673 HB2 CYS 98 1HB CYS 98 12.875 0.865 0.403 674 HB3 CYS 98 2HB CYS 98 11.798 0.455 1.734 675 H LYS 99 H LYS 99 15.778 1.104 0.719 676 HA LYS 99 HA LYS 99 17.530 2.716 1.994 677 HB2 LYS 99 1HB LYS 99 18.110 2.005 -0.176 678 HB3 LYS 99 2HB LYS 99 16.666 2.714 -0.887 679 HG2 LYS 99 1HG LYS 99 17.551 4.825 -0.927 680 HG3 LYS 99 2HG LYS 99 18.644 4.510 0.423 681 HD2 LYS 99 1HD LYS 99 19.053 2.977 -2.091 682 HD3 LYS 99 2HD LYS 99 19.514 4.681 -2.076 683 HE2 LYS 99 1HE LYS 99 20.387 2.939 0.177 684 HE3 LYS 99 2HE LYS 99 21.214 2.793 -1.373 685 HZ1 LYS 99 3HZ LYS 99 21.207 5.005 0.528 686 HZ2 LYS 99 1HZ LYS 99 21.250 5.409 -1.114 687 HZ3 LYS 99 2HZ LYS 99 22.457 4.426 -0.454 688 H ASN 100 H ASN 100 15.057 4.096 -0.180 689 HA ASN 100 HA ASN 100 15.275 6.720 0.272 690 HB2 ASN 100 1HB ASN 100 13.520 5.767 -1.142 691 HB3 ASN 100 2HB ASN 100 12.657 5.203 0.286 692 HD21 ASN 100 1HD2 ASN 100 12.559 7.443 -2.004 693 HD22 ASN 100 2HD2 ASN 100 11.821 8.751 -1.151 694 H CYS 101 H CYS 101 14.194 4.381 2.611 695 HA CYS 101 HA CYS 101 13.454 6.472 4.513 696 HB2 CYS 101 1HB CYS 101 13.122 3.485 4.458 697 HB3 CYS 101 2HB CYS 101 12.930 4.384 5.960 698 H ARG 102 H ARG 102 15.734 3.776 4.184 699 HA ARG 102 HA ARG 102 17.022 3.736 6.557 700 HB2 ARG 102 1HB ARG 102 18.761 2.697 5.493 701 HB3 ARG 102 2HB ARG 102 17.555 2.607 4.216 702 HG2 ARG 102 1HG ARG 102 18.516 4.533 3.119 703 HG3 ARG 102 2HG ARG 102 19.672 4.736 4.437 704 HD2 ARG 102 1HD ARG 102 19.528 2.159 2.921 705 HD3 ARG 102 2HD ARG 102 20.417 3.533 2.265 706 HE ARG 102 HE ARG 102 21.457 3.364 4.712 707 HH11 ARG 102 2HH1 ARG 102 20.816 0.904 2.333 708 HH12 ARG 102 1HH1 ARG 102 22.123 -0.113 2.843 709 HH21 ARG 102 2HH2 ARG 102 23.180 2.033 5.393 710 HH22 ARG 102 1HH2 ARG 102 23.466 0.529 4.584 711 H ILE 103 H ILE 103 17.361 6.210 4.071 712 HA ILE 103 HA ILE 103 19.523 7.643 4.769 713 HB ILE 103 HB ILE 103 16.781 8.725 4.140 714 HG12 ILE 103 1HG1 ILE 103 18.241 9.274 1.980 715 HG13 ILE 103 2HG1 ILE 103 19.180 7.907 2.570 716 HG21 ILE 103 1HG2 ILE 103 17.743 10.877 3.771 717 HG22 ILE 103 2HG2 ILE 103 18.199 10.359 5.393 718 HG23 ILE 103 3HG2 ILE 103 19.368 10.264 4.077 719 HD11 ILE 103 3HD1 ILE 103 16.749 7.910 1.100 720 HD12 ILE 103 1HD1 ILE 103 17.739 6.542 1.607 721 HD13 ILE 103 2HD1 ILE 103 16.468 7.152 2.667 722 H CYS 104 H CYS 104 20.147 9.141 6.300 723 HA CYS 104 HA CYS 104 18.610 9.072 8.796 724 HB2 CYS 104 1HB CYS 104 20.694 9.783 9.885 725 HB3 CYS 104 2HB CYS 104 20.932 8.313 8.947 726 HG CYS 104 HG CYS 104 21.633 11.204 7.363 727 H ILE 105 H ILE 105 19.711 11.187 6.292 728 HA ILE 105 HA ILE 105 18.474 13.453 7.709 729 HB ILE 105 HB ILE 105 20.852 13.841 7.737 730 HG12 ILE 105 1HG1 ILE 105 19.809 15.539 5.478 731 HG13 ILE 105 2HG1 ILE 105 19.180 15.697 7.114 732 HG21 ILE 105 1HG2 ILE 105 21.706 14.193 5.156 733 HG22 ILE 105 2HG2 ILE 105 22.045 12.789 6.167 734 HG23 ILE 105 3HG2 ILE 105 20.693 12.755 5.034 735 HD11 ILE 105 3HD1 ILE 105 21.872 16.379 6.044 736 HD12 ILE 105 1HD1 ILE 105 20.792 17.324 7.069 737 HD13 ILE 105 2HD1 ILE 105 21.690 15.967 7.748 738 H SER 106 H SER 106 16.541 12.887 6.542 739 HA SER 106 HA SER 106 16.643 13.473 3.662 740 HB2 SER 106 1HB SER 106 14.537 12.290 3.464 741 HB3 SER 106 2HB SER 106 15.677 11.276 4.348 742 HG SER 106 HG SER 106 13.954 12.984 5.762 743 H GLY 107 H GLY 107 15.745 15.277 2.888 744 HA2 GLY 107 1HA GLY 107 14.535 17.140 4.751 745 HA3 GLY 107 2HA GLY 107 14.950 17.460 3.073 746 HA PRO 108 HA PRO 108 10.312 16.444 3.792 747 HB2 PRO 108 1HB PRO 108 9.311 18.948 4.111 748 HB3 PRO 108 2HB PRO 108 9.820 17.937 5.468 749 HG2 PRO 108 1HG PRO 108 11.293 20.157 4.104 750 HG3 PRO 108 2HG PRO 108 11.149 19.809 5.837 751 HD2 PRO 108 1HD PRO 108 13.340 19.140 4.393 752 HD3 PRO 108 2HD PRO 108 12.774 18.175 5.771 753 H SER 109 H SER 109 8.829 16.603 2.131 754 HA SER 109 HA SER 109 9.828 17.523 -0.384 755 HB2 SER 109 1HB SER 109 7.576 16.775 -1.229 756 HB3 SER 109 2HB SER 109 8.481 15.532 -0.365 757 HG SER 109 HG SER 109 6.254 15.685 0.268 758 H SER 110 H SER 110 7.172 18.531 1.746 759 HA SER 110 HA SER 110 5.819 20.380 1.706 760 HB2 SER 110 1HB SER 110 7.005 22.423 1.961 761 HB3 SER 110 2HB SER 110 8.085 21.172 2.577 762 HG SER 110 HG SER 110 8.182 22.256 -0.045 763 H GLY 111 H GLY 111 5.673 19.029 -0.712 764 HA2 GLY 111 1HA GLY 111 6.100 20.734 -2.953 765 HA3 GLY 111 2HA GLY 111 5.112 19.280 -2.930 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -10.393 -2.050 -13.707 2 HA2 GLY 1 1HA GLY 1 -10.413 -1.373 -16.469 3 HA3 GLY 1 2HA GLY 1 -11.231 -2.906 -16.205 4 H SER 2 H SER 2 -13.017 -1.546 -17.148 5 HA SER 2 HA SER 2 -14.253 0.610 -16.142 6 HB2 SER 2 1HB SER 2 -15.647 -1.975 -16.880 7 HB3 SER 2 2HB SER 2 -16.423 -0.396 -16.774 8 HG SER 2 HG SER 2 -14.405 -1.223 -18.584 9 H SER 3 H SER 3 -15.246 1.261 -14.329 10 HA SER 3 HA SER 3 -15.142 -0.461 -12.014 11 HB2 SER 3 1HB SER 3 -15.808 2.432 -12.472 12 HB3 SER 3 2HB SER 3 -16.197 1.664 -10.932 13 HG SER 3 HG SER 3 -14.194 2.289 -10.549 14 H GLY 4 H GLY 4 -16.811 -1.425 -10.984 15 HA2 GLY 4 1HA GLY 4 -19.469 -1.135 -12.237 16 HA3 GLY 4 2HA GLY 4 -18.882 -2.609 -11.480 17 H SER 5 H SER 5 -18.588 -2.599 -9.148 18 HA SER 5 HA SER 5 -20.342 -0.644 -7.810 19 HB2 SER 5 1HB SER 5 -21.226 -2.354 -6.407 20 HB3 SER 5 2HB SER 5 -21.286 -2.995 -8.049 21 HG SER 5 HG SER 5 -18.925 -3.615 -6.996 22 H SER 6 H SER 6 -19.524 0.382 -6.092 23 HA SER 6 HA SER 6 -17.566 -0.713 -4.354 24 HB2 SER 6 1HB SER 6 -15.642 0.586 -4.918 25 HB3 SER 6 2HB SER 6 -16.189 -0.172 -6.413 26 HG SER 6 HG SER 6 -15.906 1.902 -6.974 27 H GLY 7 H GLY 7 -17.097 0.654 -2.569 28 HA2 GLY 7 1HA GLY 7 -18.674 3.145 -2.471 29 HA3 GLY 7 2HA GLY 7 -18.807 1.952 -1.187 30 H ALA 8 H ALA 8 -18.185 3.951 0.057 31 HA ALA 8 HA ALA 8 -15.303 4.482 -0.028 32 HB1 ALA 8 3HB ALA 8 -15.722 6.467 1.185 33 HB2 ALA 8 1HB ALA 8 -16.984 6.367 -0.043 34 HB3 ALA 8 2HB ALA 8 -17.345 5.940 1.630 35 H ASN 9 H ASN 9 -16.527 2.011 1.067 36 HA ASN 9 HA ASN 9 -15.815 2.271 3.905 37 HB2 ASN 9 1HB ASN 9 -17.509 0.305 2.386 38 HB3 ASN 9 2HB ASN 9 -16.865 -0.100 3.975 39 HD21 ASN 9 1HD2 ASN 9 -19.020 -0.239 4.727 40 HD22 ASN 9 2HD2 ASN 9 -19.918 1.187 5.107 41 H CYS 10 H CYS 10 -14.916 0.028 4.750 42 HA CYS 10 HA CYS 10 -12.339 -0.258 3.608 43 HB2 CYS 10 1HB CYS 10 -13.039 -0.632 6.044 44 HB3 CYS 10 2HB CYS 10 -13.607 -2.214 5.520 45 H ALA 11 H ALA 11 -11.465 -1.826 2.330 46 HA ALA 11 HA ALA 11 -13.361 -3.495 0.872 47 HB1 ALA 11 3HB ALA 11 -10.543 -3.607 0.079 48 HB2 ALA 11 1HB ALA 11 -11.987 -3.316 -0.890 49 HB3 ALA 11 2HB ALA 11 -11.256 -1.995 0.022 50 H VAL 12 H VAL 12 -11.811 -3.884 3.646 51 HA VAL 12 HA VAL 12 -11.109 -6.700 3.125 52 HB VAL 12 HB VAL 12 -10.055 -4.858 5.275 53 HG11 VAL 12 1HG1 VAL 12 -10.404 -7.578 5.476 54 HG12 VAL 12 2HG1 VAL 12 -8.731 -7.430 4.934 55 HG13 VAL 12 3HG1 VAL 12 -9.259 -6.612 6.406 56 HG21 VAL 12 3HG2 VAL 12 -9.260 -5.008 2.681 57 HG22 VAL 12 1HG2 VAL 12 -8.214 -4.543 4.023 58 HG23 VAL 12 2HG2 VAL 12 -8.207 -6.205 3.433 59 H CYS 13 H CYS 13 -12.624 -4.473 5.423 60 HA CYS 13 HA CYS 13 -13.962 -6.772 6.686 61 HB2 CYS 13 1HB CYS 13 -14.218 -5.449 8.665 62 HB3 CYS 13 2HB CYS 13 -12.542 -5.296 8.148 63 H ASP 14 H ASP 14 -14.423 -3.831 4.927 64 HA ASP 14 HA ASP 14 -16.260 -2.934 3.921 65 HB2 ASP 14 1HB ASP 14 -17.747 -5.386 4.882 66 HB3 ASP 14 2HB ASP 14 -18.233 -4.293 3.589 67 H SER 15 H SER 15 -15.647 -1.900 6.316 68 HA SER 15 HA SER 15 -18.285 -1.267 7.422 69 HB2 SER 15 1HB SER 15 -15.876 -2.156 9.011 70 HB3 SER 15 2HB SER 15 -17.209 -1.256 9.735 71 HG SER 15 HG SER 15 -18.235 -3.258 8.324 72 HA PRO 16 HA PRO 16 -16.857 2.879 7.093 73 HB2 PRO 16 1HB PRO 16 -18.494 4.062 8.907 74 HB3 PRO 16 2HB PRO 16 -19.056 3.499 7.328 75 HG2 PRO 16 1HG PRO 16 -19.281 2.172 10.002 76 HG3 PRO 16 2HG PRO 16 -20.495 2.313 8.717 77 HD2 PRO 16 1HD PRO 16 -19.045 0.061 9.110 78 HD3 PRO 16 2HD PRO 16 -19.594 0.574 7.502 79 H GLY 17 H GLY 17 -17.463 1.880 10.473 80 HA2 GLY 17 1HA GLY 17 -16.378 2.550 12.414 81 HA3 GLY 17 2HA GLY 17 -14.998 1.908 11.534 82 H ASP 18 H ASP 18 -13.343 3.239 11.235 83 HA ASP 18 HA ASP 18 -13.812 6.124 11.574 84 HB2 ASP 18 1HB ASP 18 -11.446 4.369 12.180 85 HB3 ASP 18 2HB ASP 18 -11.257 6.110 11.989 86 H LEU 19 H LEU 19 -13.248 7.532 10.008 87 HA LEU 19 HA LEU 19 -12.489 6.433 7.435 88 HB2 LEU 19 1HB LEU 19 -13.453 9.095 8.399 89 HB3 LEU 19 2HB LEU 19 -12.720 8.941 6.803 90 HG LEU 19 HG LEU 19 -15.142 8.893 6.650 91 HD11 LEU 19 1HD1 LEU 19 -15.148 7.330 5.038 92 HD12 LEU 19 2HD1 LEU 19 -14.584 6.059 6.121 93 HD13 LEU 19 3HD1 LEU 19 -13.431 7.193 5.418 94 HD21 LEU 19 3HD2 LEU 19 -16.507 7.657 7.944 95 HD22 LEU 19 1HD2 LEU 19 -15.126 7.636 9.041 96 HD23 LEU 19 2HD2 LEU 19 -15.414 6.272 7.960 97 H LEU 20 H LEU 20 -11.221 8.784 9.768 98 HA LEU 20 HA LEU 20 -8.902 9.437 8.275 99 HB2 LEU 20 1HB LEU 20 -9.235 11.046 9.823 100 HB3 LEU 20 2HB LEU 20 -9.922 9.923 10.995 101 HG LEU 20 HG LEU 20 -7.732 9.240 11.708 102 HD11 LEU 20 1HD1 LEU 20 -6.250 11.202 10.106 103 HD12 LEU 20 2HD1 LEU 20 -6.894 9.833 9.201 104 HD13 LEU 20 3HD1 LEU 20 -5.822 9.556 10.574 105 HD21 LEU 20 3HD2 LEU 20 -8.825 11.657 12.220 106 HD22 LEU 20 1HD2 LEU 20 -7.245 12.139 11.605 107 HD23 LEU 20 2HD2 LEU 20 -7.357 11.052 12.989 108 H ASP 21 H ASP 21 -9.368 7.327 11.108 109 HA ASP 21 HA ASP 21 -6.835 6.397 11.493 110 HB2 ASP 21 1HB ASP 21 -9.019 5.777 12.717 111 HB3 ASP 21 2HB ASP 21 -9.167 4.495 11.519 112 H GLN 22 H GLN 22 -9.143 5.295 9.050 113 HA GLN 22 HA GLN 22 -7.287 3.341 8.001 114 HB2 GLN 22 1HB GLN 22 -9.048 2.909 6.327 115 HB3 GLN 22 2HB GLN 22 -9.657 2.818 7.974 116 HG2 GLN 22 1HG GLN 22 -10.504 5.144 7.716 117 HG3 GLN 22 2HG GLN 22 -10.029 5.073 6.020 118 HE21 GLN 22 1HE2 GLN 22 -12.257 5.457 5.538 119 HE22 GLN 22 2HE2 GLN 22 -13.390 4.154 5.571 120 H PHE 23 H PHE 23 -6.188 3.449 6.069 121 HA PHE 23 HA PHE 23 -5.494 6.077 5.163 122 HB2 PHE 23 1HB PHE 23 -4.703 3.366 4.074 123 HB3 PHE 23 2HB PHE 23 -3.966 4.901 3.627 124 HD1 PHE 23 HD2 PHE 23 -4.525 2.599 6.474 125 HD2 PHE 23 HD1 PHE 23 -2.223 5.810 4.890 126 HE1 PHE 23 HE2 PHE 23 -2.932 2.371 8.335 127 HE2 PHE 23 HE1 PHE 23 -0.626 5.586 6.748 128 HZ PHE 23 HZ PHE 23 -0.980 3.866 8.475 129 H PHE 24 H PHE 24 -5.361 6.484 2.728 130 HA PHE 24 HA PHE 24 -7.721 5.443 1.329 131 HB2 PHE 24 1HB PHE 24 -8.567 7.491 2.138 132 HB3 PHE 24 2HB PHE 24 -7.049 8.332 1.842 133 HD1 PHE 24 HD1 PHE 24 -10.066 6.937 0.274 134 HD2 PHE 24 HD2 PHE 24 -6.539 9.252 -0.296 135 HE1 PHE 24 HE1 PHE 24 -10.920 7.695 -1.905 136 HE2 PHE 24 HE2 PHE 24 -7.388 10.014 -2.476 137 HZ PHE 24 HZ PHE 24 -9.581 9.236 -3.283 138 H CYS 25 H CYS 25 -7.227 4.762 -0.643 139 HA CYS 25 HA CYS 25 -4.611 5.210 -1.734 140 HB2 CYS 25 1HB CYS 25 -5.917 3.059 -1.932 141 HB3 CYS 25 2HB CYS 25 -6.962 3.880 -3.086 142 H THR 26 H THR 26 -4.168 6.087 -3.836 143 HA THR 26 HA THR 26 -5.944 8.332 -4.481 144 HB THR 26 HB THR 26 -4.025 9.300 -5.674 145 HG1 THR 26 HG1 THR 26 -2.452 8.011 -6.224 146 HG21 THR 26 3HG2 THR 26 -2.464 9.445 -3.614 147 HG22 THR 26 1HG2 THR 26 -3.693 8.468 -2.811 148 HG23 THR 26 2HG2 THR 26 -4.115 10.050 -3.469 149 H THR 27 H THR 27 -4.453 5.473 -5.839 150 HA THR 27 HA THR 27 -5.126 6.023 -8.554 151 HB THR 27 HB THR 27 -4.416 3.429 -7.175 152 HG1 THR 27 HG1 THR 27 -2.837 4.838 -9.048 153 HG21 THR 27 3HG2 THR 27 -3.891 2.818 -9.668 154 HG22 THR 27 1HG2 THR 27 -5.113 4.040 -10.016 155 HG23 THR 27 2HG2 THR 27 -5.527 2.634 -9.036 156 H CYS 28 H CYS 28 -6.392 3.468 -6.406 157 HA CYS 28 HA CYS 28 -8.798 3.274 -7.998 158 HB2 CYS 28 1HB CYS 28 -9.365 1.393 -6.609 159 HB3 CYS 28 2HB CYS 28 -7.656 1.276 -7.016 160 H GLY 29 H GLY 29 -7.898 4.338 -4.743 161 HA2 GLY 29 1HA GLY 29 -8.945 6.048 -3.530 162 HA3 GLY 29 2HA GLY 29 -10.293 5.990 -4.655 163 H GLN 30 H GLN 30 -8.839 3.355 -2.784 164 HA GLN 30 HA GLN 30 -11.491 2.795 -1.670 165 HB2 GLN 30 1HB GLN 30 -9.079 1.150 -2.255 166 HB3 GLN 30 2HB GLN 30 -10.108 0.648 -0.921 167 HG2 GLN 30 1HG GLN 30 -11.430 1.280 -3.493 168 HG3 GLN 30 2HG GLN 30 -10.470 -0.197 -3.409 169 HE21 GLN 30 1HE2 GLN 30 -12.908 1.562 -1.524 170 HE22 GLN 30 2HE2 GLN 30 -13.805 0.162 -1.057 171 H HIS 31 H HIS 31 -11.233 1.616 0.595 172 HA HIS 31 HA HIS 31 -9.511 3.313 2.279 173 HB2 HIS 31 1HB HIS 31 -12.242 2.302 3.079 174 HB3 HIS 31 2HB HIS 31 -11.240 3.474 3.929 175 HD1 HIS 31 HD1 HIS 31 -11.784 5.848 3.489 176 HD2 HIS 31 HD2 HIS 31 -13.125 3.360 0.444 177 HE1 HIS 31 HE1 HIS 31 -13.064 7.338 1.918 178 HE2 HIS 31 HE2 HIS 31 -13.938 5.795 0.129 179 H TYR 32 H TYR 32 -8.640 2.369 4.144 180 HA TYR 32 HA TYR 32 -9.161 -0.403 4.754 181 HB2 TYR 32 1HB TYR 32 -6.436 0.423 3.732 182 HB3 TYR 32 2HB TYR 32 -6.846 -1.153 4.399 183 HD1 TYR 32 HD2 TYR 32 -7.354 1.121 1.543 184 HD2 TYR 32 HD1 TYR 32 -7.984 -2.795 3.083 185 HE1 TYR 32 HE2 TYR 32 -8.003 0.350 -0.700 186 HE2 TYR 32 HE1 TYR 32 -8.633 -3.577 0.844 187 HH TYR 32 HH TYR 32 -7.984 -2.564 -1.719 188 H HIS 33 H HIS 33 -9.101 -0.575 6.886 189 HA HIS 33 HA HIS 33 -8.120 1.501 8.553 190 HB2 HIS 33 1HB HIS 33 -8.923 -1.321 9.291 191 HB3 HIS 33 2HB HIS 33 -8.725 0.020 10.415 192 HD2 HIS 33 HD2 HIS 33 -10.616 2.253 9.641 193 HE1 HIS 33 HE1 HIS 33 -13.508 -0.611 8.444 194 HE2 HIS 33 HE2 HIS 33 -13.076 1.813 8.972 195 H GLY 34 H GLY 34 -6.605 1.017 10.426 196 HA2 GLY 34 1HA GLY 34 -4.087 0.177 9.324 197 HA3 GLY 34 2HA GLY 34 -4.366 0.778 10.951 198 H MET 35 H MET 35 -6.514 -1.275 11.344 199 HA MET 35 HA MET 35 -4.734 -3.397 12.222 200 HB2 MET 35 1HB MET 35 -6.655 -4.229 13.470 201 HB3 MET 35 2HB MET 35 -6.425 -2.512 13.771 202 HG2 MET 35 1HG MET 35 -8.290 -1.915 12.509 203 HG3 MET 35 2HG MET 35 -8.345 -3.473 11.688 204 HE1 MET 35 3HE MET 35 -8.315 -5.439 14.933 205 HE2 MET 35 1HE MET 35 -9.704 -5.929 13.961 206 HE3 MET 35 2HE MET 35 -8.171 -5.544 13.178 207 H CYS 36 H CYS 36 -7.355 -2.885 9.941 208 HA CYS 36 HA CYS 36 -7.872 -5.557 9.272 209 HB2 CYS 36 1HB CYS 36 -8.319 -2.919 7.967 210 HB3 CYS 36 2HB CYS 36 -8.453 -4.356 6.958 211 H LEU 37 H LEU 37 -5.393 -3.325 8.195 212 HA LEU 37 HA LEU 37 -4.300 -5.424 6.445 213 HB2 LEU 37 1HB LEU 37 -4.276 -2.451 6.324 214 HB3 LEU 37 2HB LEU 37 -2.902 -3.328 5.653 215 HG LEU 37 HG LEU 37 -5.757 -3.789 4.804 216 HD11 LEU 37 1HD1 LEU 37 -3.810 -2.350 3.086 217 HD12 LEU 37 2HD1 LEU 37 -4.591 -1.454 4.387 218 HD13 LEU 37 3HD1 LEU 37 -5.569 -2.238 3.147 219 HD21 LEU 37 3HD2 LEU 37 -4.526 -4.734 2.789 220 HD22 LEU 37 1HD2 LEU 37 -4.467 -5.682 4.275 221 HD23 LEU 37 2HD2 LEU 37 -3.078 -4.706 3.797 222 H ASP 38 H ASP 38 -3.940 -4.154 9.446 223 HA ASP 38 HA ASP 38 -2.309 -4.243 11.028 224 HB2 ASP 38 1HB ASP 38 -1.089 -6.117 8.997 225 HB3 ASP 38 2HB ASP 38 -0.399 -5.836 10.593 226 H ILE 39 H ILE 39 -2.278 -2.023 9.381 227 HA ILE 39 HA ILE 39 0.555 -1.545 8.786 228 HB ILE 39 HB ILE 39 -1.893 0.064 8.049 229 HG12 ILE 39 1HG1 ILE 39 -0.007 -1.607 6.372 230 HG13 ILE 39 2HG1 ILE 39 -1.659 -2.038 6.800 231 HG21 ILE 39 1HG2 ILE 39 1.032 0.582 7.689 232 HG22 ILE 39 2HG2 ILE 39 -0.141 1.216 6.536 233 HG23 ILE 39 3HG2 ILE 39 -0.237 1.677 8.236 234 HD11 ILE 39 3HD1 ILE 39 -0.678 0.028 4.888 235 HD12 ILE 39 1HD1 ILE 39 -1.885 -1.236 4.656 236 HD13 ILE 39 2HD1 ILE 39 -2.271 0.186 5.626 237 H ALA 40 H ALA 40 1.714 0.092 9.742 238 HA ALA 40 HA ALA 40 0.764 0.966 12.326 239 HB1 ALA 40 3HB ALA 40 2.926 0.914 12.815 240 HB2 ALA 40 1HB ALA 40 3.288 0.504 11.138 241 HB3 ALA 40 2HB ALA 40 3.241 2.193 11.643 242 H VAL 41 H VAL 41 -0.575 2.649 12.425 243 HA VAL 41 HA VAL 41 -0.801 4.646 10.436 244 HB VAL 41 HB VAL 41 -1.755 4.716 13.303 245 HG11 VAL 41 1HG1 VAL 41 -2.196 6.510 10.959 246 HG12 VAL 41 2HG1 VAL 41 -3.487 6.290 12.142 247 HG13 VAL 41 3HG1 VAL 41 -1.919 6.919 12.651 248 HG21 VAL 41 3HG2 VAL 41 -2.742 2.837 12.252 249 HG22 VAL 41 1HG2 VAL 41 -3.956 4.117 12.212 250 HG23 VAL 41 2HG2 VAL 41 -3.031 3.732 10.760 251 H THR 42 H THR 42 0.836 5.987 10.001 252 HA THR 42 HA THR 42 2.086 7.409 12.260 253 HB THR 42 HB THR 42 4.176 7.531 11.024 254 HG1 THR 42 HG1 THR 42 4.379 6.735 8.997 255 HG21 THR 42 3HG2 THR 42 3.614 5.520 12.461 256 HG22 THR 42 1HG2 THR 42 4.892 5.284 11.269 257 HG23 THR 42 2HG2 THR 42 3.272 4.659 10.960 258 HA PRO 43 HA PRO 43 0.882 11.177 10.351 259 HB2 PRO 43 1HB PRO 43 2.893 12.817 11.149 260 HB3 PRO 43 2HB PRO 43 1.637 12.233 12.247 261 HG2 PRO 43 1HG PRO 43 4.429 11.225 11.854 262 HG3 PRO 43 2HG PRO 43 3.534 11.481 13.363 263 HD2 PRO 43 1HD PRO 43 3.823 9.035 12.238 264 HD3 PRO 43 2HD PRO 43 2.379 9.496 13.162 265 H LEU 44 H LEU 44 3.564 9.443 9.354 266 HA LEU 44 HA LEU 44 4.248 11.382 7.254 267 HB2 LEU 44 1HB LEU 44 6.164 10.678 8.485 268 HB3 LEU 44 2HB LEU 44 5.709 8.983 8.334 269 HG LEU 44 HG LEU 44 6.007 9.493 5.759 270 HD11 LEU 44 1HD1 LEU 44 6.447 11.881 6.078 271 HD12 LEU 44 2HD1 LEU 44 7.822 11.055 5.346 272 HD13 LEU 44 3HD1 LEU 44 7.861 11.486 7.055 273 HD21 LEU 44 3HD2 LEU 44 8.077 8.860 7.830 274 HD22 LEU 44 1HD2 LEU 44 8.495 8.922 6.117 275 HD23 LEU 44 2HD2 LEU 44 7.276 7.781 6.686 276 H LYS 45 H LYS 45 3.269 8.038 7.809 277 HA LYS 45 HA LYS 45 3.300 7.216 5.107 278 HB2 LYS 45 1HB LYS 45 3.143 5.794 7.261 279 HB3 LYS 45 2HB LYS 45 1.413 6.099 7.165 280 HG2 LYS 45 1HG LYS 45 1.324 5.055 4.978 281 HG3 LYS 45 2HG LYS 45 3.071 4.801 5.011 282 HD2 LYS 45 1HD LYS 45 1.106 3.630 6.980 283 HD3 LYS 45 2HD LYS 45 1.803 2.769 5.606 284 HE2 LYS 45 1HE LYS 45 4.052 3.156 6.550 285 HE3 LYS 45 2HE LYS 45 3.308 3.932 7.948 286 HZ1 LYS 45 3HZ LYS 45 2.195 1.862 8.473 287 HZ2 LYS 45 1HZ LYS 45 3.867 1.616 8.386 288 HZ3 LYS 45 2HZ LYS 45 2.871 1.115 7.114 289 H ARG 46 H ARG 46 0.646 8.357 7.187 290 HA ARG 46 HA ARG 46 -1.551 8.158 5.702 291 HB2 ARG 46 1HB ARG 46 -0.576 10.613 7.158 292 HB3 ARG 46 2HB ARG 46 -2.189 10.501 6.468 293 HG2 ARG 46 1HG ARG 46 -2.804 8.760 7.935 294 HG3 ARG 46 2HG ARG 46 -1.134 8.500 8.442 295 HD2 ARG 46 1HD ARG 46 -2.263 9.679 10.188 296 HD3 ARG 46 2HD ARG 46 -1.145 10.797 9.408 297 HE ARG 46 HE ARG 46 -3.857 10.860 8.404 298 HH11 ARG 46 2HH1 ARG 46 -1.548 12.186 10.648 299 HH12 ARG 46 1HH1 ARG 46 -2.407 13.677 10.852 300 HH21 ARG 46 2HH2 ARG 46 -4.997 12.819 8.665 301 HH22 ARG 46 1HH2 ARG 46 -4.369 14.035 9.725 302 H ALA 47 H ALA 47 0.949 10.613 5.117 303 HA ALA 47 HA ALA 47 -0.381 11.563 2.733 304 HB1 ALA 47 3HB ALA 47 0.879 13.378 3.004 305 HB2 ALA 47 1HB ALA 47 1.440 12.657 4.513 306 HB3 ALA 47 2HB ALA 47 2.366 12.430 3.029 307 H GLY 48 H GLY 48 0.022 10.979 0.679 308 HA2 GLY 48 1HA GLY 48 0.976 9.926 -1.128 309 HA3 GLY 48 2HA GLY 48 2.482 9.889 -0.223 310 H TRP 49 H TRP 49 -0.600 8.418 0.686 311 HA TRP 49 HA TRP 49 0.756 5.858 0.976 312 HB2 TRP 49 1HB TRP 49 -0.689 6.649 2.800 313 HB3 TRP 49 2HB TRP 49 -2.065 6.680 1.701 314 HD1 TRP 49 HD1 TRP 49 0.232 4.216 3.543 315 HE1 TRP 49 HE1 TRP 49 -0.940 1.926 3.637 316 HE3 TRP 49 HE3 TRP 49 -3.792 5.240 0.561 317 HZ2 TRP 49 HZ2 TRP 49 -3.262 0.714 2.585 318 HZ3 TRP 49 HZ3 TRP 49 -5.442 3.461 0.154 319 HH2 TRP 49 HH2 TRP 49 -5.181 1.245 1.146 320 H GLN 50 H GLN 50 -0.354 3.868 0.227 321 HA GLN 50 HA GLN 50 -2.199 4.094 -1.971 322 HB2 GLN 50 1HB GLN 50 0.704 3.695 -2.416 323 HB3 GLN 50 2HB GLN 50 -0.376 2.656 -3.336 324 HG2 GLN 50 1HG GLN 50 -1.579 4.799 -4.014 325 HG3 GLN 50 2HG GLN 50 -0.166 5.644 -3.386 326 HE21 GLN 50 1HE2 GLN 50 -1.088 3.048 -5.607 327 HE22 GLN 50 2HE2 GLN 50 0.153 3.362 -6.767 328 H CYS 51 H CYS 51 -3.341 2.248 -2.265 329 HA CYS 51 HA CYS 51 -3.132 0.199 -0.313 330 HB2 CYS 51 1HB CYS 51 -5.087 -0.685 -1.233 331 HB3 CYS 51 2HB CYS 51 -5.218 1.030 -1.608 332 HA PRO 52 HA PRO 52 -0.447 -2.734 -2.168 333 HB2 PRO 52 1HB PRO 52 -1.603 -5.079 -1.440 334 HB3 PRO 52 2HB PRO 52 -0.752 -4.033 -0.298 335 HG2 PRO 52 1HG PRO 52 -3.692 -4.294 -0.799 336 HG3 PRO 52 2HG PRO 52 -2.826 -4.167 0.744 337 HD2 PRO 52 1HD PRO 52 -4.082 -2.059 -0.400 338 HD3 PRO 52 2HD PRO 52 -2.612 -1.878 0.579 339 H GLU 53 H GLU 53 -3.545 -2.244 -3.298 340 HA GLU 53 HA GLU 53 -3.399 -4.352 -5.323 341 HB2 GLU 53 1HB GLU 53 -5.629 -2.369 -4.864 342 HB3 GLU 53 2HB GLU 53 -5.692 -3.832 -5.836 343 HG2 GLU 53 1HG GLU 53 -5.037 -4.064 -2.945 344 HG3 GLU 53 2HG GLU 53 -6.706 -3.756 -3.422 345 H CYS 54 H CYS 54 -2.899 -0.980 -4.894 346 HA CYS 54 HA CYS 54 -2.725 -0.601 -7.810 347 HB2 CYS 54 1HB CYS 54 -3.187 1.417 -5.606 348 HB3 CYS 54 2HB CYS 54 -2.907 1.845 -7.291 349 H LYS 55 H LYS 55 -1.075 -0.220 -4.744 350 HA LYS 55 HA LYS 55 1.137 1.265 -5.542 351 HB2 LYS 55 1HB LYS 55 0.932 0.932 -3.237 352 HB3 LYS 55 2HB LYS 55 0.709 -0.804 -3.411 353 HG2 LYS 55 1HG LYS 55 3.027 -1.116 -3.920 354 HG3 LYS 55 2HG LYS 55 3.295 0.627 -3.981 355 HD2 LYS 55 1HD LYS 55 4.038 0.192 -1.862 356 HD3 LYS 55 2HD LYS 55 2.335 0.505 -1.522 357 HE2 LYS 55 1HE LYS 55 2.938 -1.470 -0.343 358 HE3 LYS 55 2HE LYS 55 1.942 -1.964 -1.710 359 HZ1 LYS 55 3HZ LYS 55 4.291 -2.190 -2.835 360 HZ2 LYS 55 1HZ LYS 55 3.638 -3.442 -1.902 361 HZ3 LYS 55 2HZ LYS 55 4.793 -2.403 -1.234 362 H VAL 56 H VAL 56 3.190 0.725 -6.288 363 HA VAL 56 HA VAL 56 3.833 -2.001 -6.987 364 HB VAL 56 HB VAL 56 4.092 -1.651 -9.365 365 HG11 VAL 56 1HG1 VAL 56 1.893 -2.399 -8.438 366 HG12 VAL 56 2HG1 VAL 56 1.332 -0.733 -8.582 367 HG13 VAL 56 3HG1 VAL 56 1.798 -1.636 -10.024 368 HG21 VAL 56 3HG2 VAL 56 3.155 1.141 -8.758 369 HG22 VAL 56 1HG2 VAL 56 4.650 0.635 -9.545 370 HG23 VAL 56 2HG2 VAL 56 3.108 0.454 -10.381 371 H CYS 57 H CYS 57 5.988 -2.064 -8.193 372 HA CYS 57 HA CYS 57 7.943 -0.783 -6.685 373 HB2 CYS 57 1HB CYS 57 8.265 -2.856 -8.048 374 HB3 CYS 57 2HB CYS 57 8.279 -1.851 -9.494 375 H GLN 58 H GLN 58 9.472 0.851 -7.234 376 HA GLN 58 HA GLN 58 8.363 2.878 -9.053 377 HB2 GLN 58 1HB GLN 58 10.203 3.198 -6.677 378 HB3 GLN 58 2HB GLN 58 9.685 4.510 -7.727 379 HG2 GLN 58 1HG GLN 58 7.810 2.786 -6.126 380 HG3 GLN 58 2HG GLN 58 8.435 4.345 -5.589 381 HE21 GLN 58 1HE2 GLN 58 5.707 3.234 -6.381 382 HE22 GLN 58 2HE2 GLN 58 5.078 4.429 -7.458 383 H ASN 59 H ASN 59 10.962 0.740 -8.576 384 HA ASN 59 HA ASN 59 12.887 2.256 -10.112 385 HB2 ASN 59 1HB ASN 59 13.131 -0.663 -9.423 386 HB3 ASN 59 2HB ASN 59 14.413 0.521 -9.662 387 HD21 ASN 59 1HD2 ASN 59 15.164 1.628 -7.961 388 HD22 ASN 59 2HD2 ASN 59 14.538 1.508 -6.355 389 H CYS 60 H CYS 60 10.927 -0.669 -10.567 390 HA CYS 60 HA CYS 60 11.536 -0.550 -13.445 391 HB2 CYS 60 1HB CYS 60 11.116 -2.883 -13.582 392 HB3 CYS 60 2HB CYS 60 12.110 -2.657 -12.147 393 H LYS 61 H LYS 61 9.012 -0.497 -11.057 394 HA LYS 61 HA LYS 61 6.807 0.055 -11.180 395 HB2 LYS 61 1HB LYS 61 7.430 0.795 -14.045 396 HB3 LYS 61 2HB LYS 61 5.991 1.259 -13.147 397 HG2 LYS 61 1HG LYS 61 8.650 1.997 -12.041 398 HG3 LYS 61 2HG LYS 61 8.023 2.899 -13.423 399 HD2 LYS 61 1HD LYS 61 5.991 3.416 -12.177 400 HD3 LYS 61 2HD LYS 61 6.583 2.481 -10.802 401 HE2 LYS 61 1HE LYS 61 7.176 4.602 -10.161 402 HE3 LYS 61 2HE LYS 61 8.643 4.092 -10.996 403 HZ1 LYS 61 3HZ LYS 61 6.942 6.258 -11.590 404 HZ2 LYS 61 1HZ LYS 61 6.960 5.198 -12.908 405 HZ3 LYS 61 2HZ LYS 61 8.411 5.836 -12.316 406 H GLN 62 H GLN 62 7.229 -2.556 -11.291 407 HA GLN 62 HA GLN 62 5.228 -3.482 -13.226 408 HB2 GLN 62 1HB GLN 62 7.936 -4.687 -12.703 409 HB3 GLN 62 2HB GLN 62 6.613 -5.638 -13.366 410 HG2 GLN 62 1HG GLN 62 6.454 -3.842 -15.169 411 HG3 GLN 62 2HG GLN 62 8.028 -3.298 -14.590 412 HE21 GLN 62 1HE2 GLN 62 9.543 -5.322 -14.224 413 HE22 GLN 62 2HE2 GLN 62 9.655 -6.365 -15.597 414 H SER 63 H SER 63 3.566 -4.050 -11.982 415 HA SER 63 HA SER 63 3.903 -5.011 -9.301 416 HB2 SER 63 1HB SER 63 1.542 -4.972 -9.147 417 HB3 SER 63 2HB SER 63 1.947 -3.619 -10.202 418 HG SER 63 HG SER 63 0.552 -5.914 -10.746 419 H GLY 64 H GLY 64 2.773 -7.046 -8.577 420 HA2 GLY 64 1HA GLY 64 1.934 -9.239 -9.555 421 HA3 GLY 64 2HA GLY 64 3.434 -9.211 -10.470 422 H GLU 65 H GLU 65 5.435 -9.442 -9.338 423 HA GLU 65 HA GLU 65 5.396 -11.425 -7.360 424 HB2 GLU 65 1HB GLU 65 7.839 -10.899 -7.113 425 HB3 GLU 65 2HB GLU 65 7.320 -11.224 -8.761 426 HG2 GLU 65 1HG GLU 65 7.045 -8.573 -8.757 427 HG3 GLU 65 2HG GLU 65 8.310 -8.725 -7.539 428 H ASP 66 H ASP 66 3.988 -10.614 -5.729 429 HA ASP 66 HA ASP 66 4.615 -8.246 -4.257 430 HB2 ASP 66 1HB ASP 66 2.900 -9.156 -2.638 431 HB3 ASP 66 2HB ASP 66 2.329 -8.932 -4.290 432 H SER 67 H SER 67 4.830 -11.718 -3.478 433 HA SER 67 HA SER 67 5.857 -11.692 -0.981 434 HB2 SER 67 1HB SER 67 6.502 -13.434 -3.341 435 HB3 SER 67 2HB SER 67 7.336 -13.680 -1.807 436 HG SER 67 HG SER 67 4.555 -13.453 -1.758 437 H LYS 68 H LYS 68 8.020 -11.785 -3.816 438 HA LYS 68 HA LYS 68 10.368 -11.179 -2.463 439 HB2 LYS 68 1HB LYS 68 9.730 -10.358 -5.299 440 HB3 LYS 68 2HB LYS 68 11.322 -10.649 -4.612 441 HG2 LYS 68 1HG LYS 68 10.645 -13.027 -4.255 442 HG3 LYS 68 2HG LYS 68 9.169 -12.677 -5.158 443 HD2 LYS 68 1HD LYS 68 10.810 -11.787 -6.972 444 HD3 LYS 68 2HD LYS 68 12.004 -12.764 -6.114 445 HE2 LYS 68 1HE LYS 68 11.225 -14.256 -7.689 446 HE3 LYS 68 2HE LYS 68 10.201 -14.635 -6.305 447 HZ1 LYS 68 3HZ LYS 68 8.387 -13.985 -7.394 448 HZ2 LYS 68 1HZ LYS 68 9.326 -14.033 -8.801 449 HZ3 LYS 68 2HZ LYS 68 9.114 -12.572 -7.976 450 H MET 69 H MET 69 8.013 -9.005 -3.969 451 HA MET 69 HA MET 69 9.357 -6.600 -3.733 452 HB2 MET 69 1HB MET 69 7.204 -6.862 -4.893 453 HB3 MET 69 2HB MET 69 6.398 -7.091 -3.347 454 HG2 MET 69 1HG MET 69 5.962 -4.896 -3.622 455 HG3 MET 69 2HG MET 69 7.539 -4.746 -2.851 456 HE1 MET 69 3HE MET 69 6.103 -2.389 -5.375 457 HE2 MET 69 1HE MET 69 6.115 -3.403 -6.818 458 HE3 MET 69 2HE MET 69 5.276 -3.947 -5.365 459 H LEU 70 H LEU 70 9.782 -5.186 -2.122 460 HA LEU 70 HA LEU 70 9.247 -6.093 0.603 461 HB2 LEU 70 1HB LEU 70 10.962 -3.778 -0.262 462 HB3 LEU 70 2HB LEU 70 10.963 -4.595 1.299 463 HG LEU 70 HG LEU 70 11.664 -6.200 -1.102 464 HD11 LEU 70 1HD1 LEU 70 12.858 -3.925 -1.196 465 HD12 LEU 70 2HD1 LEU 70 13.834 -5.389 -1.308 466 HD13 LEU 70 3HD1 LEU 70 13.751 -4.499 0.213 467 HD21 LEU 70 3HD2 LEU 70 12.113 -7.619 0.547 468 HD22 LEU 70 1HD2 LEU 70 11.868 -6.366 1.764 469 HD23 LEU 70 2HD2 LEU 70 13.452 -6.570 1.015 470 H VAL 71 H VAL 71 8.365 -4.721 2.200 471 HA VAL 71 HA VAL 71 6.936 -2.355 1.190 472 HB VAL 71 HB VAL 71 5.762 -4.399 3.081 473 HG11 VAL 71 1HG1 VAL 71 4.649 -1.868 1.884 474 HG12 VAL 71 2HG1 VAL 71 3.671 -3.085 2.706 475 HG13 VAL 71 3HG1 VAL 71 4.927 -2.216 3.590 476 HG21 VAL 71 3HG2 VAL 71 4.116 -4.582 1.062 477 HG22 VAL 71 1HG2 VAL 71 5.491 -3.979 0.138 478 HG23 VAL 71 2HG2 VAL 71 5.632 -5.482 1.049 479 H CYS 72 H CYS 72 8.176 -0.824 2.159 480 HA CYS 72 HA CYS 72 9.473 -0.887 4.569 481 HB2 CYS 72 1HB CYS 72 9.419 0.957 2.756 482 HB3 CYS 72 2HB CYS 72 8.058 1.608 3.663 483 H ASP 73 H ASP 73 8.941 0.305 6.597 484 HA ASP 73 HA ASP 73 6.201 -0.360 7.420 485 HB2 ASP 73 1HB ASP 73 8.052 -1.433 8.670 486 HB3 ASP 73 2HB ASP 73 8.638 0.161 9.136 487 H THR 74 H THR 74 8.529 2.246 7.251 488 HA THR 74 HA THR 74 6.839 4.092 8.705 489 HB THR 74 HB THR 74 9.455 4.463 7.243 490 HG1 THR 74 HG1 THR 74 8.730 4.524 10.002 491 HG21 THR 74 3HG2 THR 74 7.508 6.443 8.174 492 HG22 THR 74 1HG2 THR 74 8.864 6.624 7.061 493 HG23 THR 74 2HG2 THR 74 9.137 6.690 8.802 494 H CYS 75 H CYS 75 8.341 4.379 5.485 495 HA CYS 75 HA CYS 75 6.235 6.122 4.589 496 HB2 CYS 75 1HB CYS 75 7.507 6.394 2.604 497 HB3 CYS 75 2HB CYS 75 8.681 6.279 3.911 498 H ASP 76 H ASP 76 6.831 2.752 4.550 499 HA ASP 76 HA ASP 76 5.740 0.974 3.639 500 HB2 ASP 76 1HB ASP 76 3.650 3.063 3.945 501 HB3 ASP 76 2HB ASP 76 3.243 1.673 2.943 502 H LYS 77 H LYS 77 7.428 1.936 1.864 503 HA LYS 77 HA LYS 77 6.034 2.507 -0.631 504 HB2 LYS 77 1HB LYS 77 8.890 2.594 0.263 505 HB3 LYS 77 2HB LYS 77 8.529 2.492 -1.455 506 HG2 LYS 77 1HG LYS 77 7.129 4.568 0.138 507 HG3 LYS 77 2HG LYS 77 8.840 4.806 -0.226 508 HD2 LYS 77 1HD LYS 77 8.080 5.707 -2.140 509 HD3 LYS 77 2HD LYS 77 7.875 4.030 -2.650 510 HE2 LYS 77 1HE LYS 77 5.821 5.058 -3.123 511 HE3 LYS 77 2HE LYS 77 5.548 4.175 -1.622 512 HZ1 LYS 77 3HZ LYS 77 5.100 6.858 -2.080 513 HZ2 LYS 77 1HZ LYS 77 6.465 6.801 -1.081 514 HZ3 LYS 77 2HZ LYS 77 5.029 6.052 -0.594 515 H GLY 78 H GLY 78 7.463 1.344 -2.556 516 HA2 GLY 78 1HA GLY 78 7.517 -1.535 -1.935 517 HA3 GLY 78 2HA GLY 78 6.573 -0.948 -3.297 518 H TYR 79 H TYR 79 9.449 -2.301 -2.445 519 HA TYR 79 HA TYR 79 10.626 -1.596 -5.020 520 HB2 TYR 79 1HB TYR 79 12.267 -1.457 -2.489 521 HB3 TYR 79 2HB TYR 79 12.768 -1.017 -4.117 522 HD1 TYR 79 HD2 TYR 79 11.573 0.964 -5.225 523 HD2 TYR 79 HD1 TYR 79 11.359 0.151 -1.054 524 HE1 TYR 79 HE2 TYR 79 10.886 3.290 -4.812 525 HE2 TYR 79 HE1 TYR 79 10.670 2.473 -0.630 526 HH TYR 79 HH TYR 79 10.735 4.894 -3.131 527 H HIS 80 H HIS 80 11.069 -3.441 -6.006 528 HA HIS 80 HA HIS 80 11.053 -5.955 -4.761 529 HB2 HIS 80 1HB HIS 80 12.228 -5.147 -7.429 530 HB3 HIS 80 2HB HIS 80 11.933 -6.806 -6.916 531 HD2 HIS 80 HD2 HIS 80 8.901 -6.707 -5.939 532 HE1 HIS 80 HE1 HIS 80 8.065 -4.768 -9.619 533 HE2 HIS 80 HE2 HIS 80 7.087 -5.948 -7.620 534 H THR 81 H THR 81 12.614 -7.238 -3.930 535 HA THR 81 HA THR 81 14.905 -6.233 -2.813 536 HB THR 81 HB THR 81 15.754 -8.625 -2.793 537 HG1 THR 81 HG1 THR 81 13.554 -9.886 -3.420 538 HG21 THR 81 3HG2 THR 81 14.628 -8.124 -0.857 539 HG22 THR 81 1HG2 THR 81 13.590 -9.400 -1.493 540 HG23 THR 81 2HG2 THR 81 13.137 -7.708 -1.702 541 H PHE 82 H PHE 82 14.471 -7.540 -6.046 542 HA PHE 82 HA PHE 82 17.289 -7.454 -6.658 543 HB2 PHE 82 1HB PHE 82 16.440 -7.952 -9.011 544 HB3 PHE 82 2HB PHE 82 16.093 -9.161 -7.780 545 HD1 PHE 82 HD2 PHE 82 14.624 -6.331 -9.659 546 HD2 PHE 82 HD1 PHE 82 13.894 -9.802 -7.307 547 HE1 PHE 82 HE2 PHE 82 12.230 -6.197 -10.210 548 HE2 PHE 82 HE1 PHE 82 11.499 -9.675 -7.855 549 HZ PHE 82 HZ PHE 82 10.664 -7.870 -9.307 550 H CYS 83 H CYS 83 14.633 -5.293 -6.773 551 HA CYS 83 HA CYS 83 15.862 -3.547 -8.748 552 HB2 CYS 83 1HB CYS 83 13.273 -3.469 -7.213 553 HB3 CYS 83 2HB CYS 83 13.836 -2.080 -8.137 554 H LEU 84 H LEU 84 17.120 -4.114 -6.105 555 HA LEU 84 HA LEU 84 17.184 -1.370 -5.036 556 HB2 LEU 84 1HB LEU 84 17.753 -4.016 -3.721 557 HB3 LEU 84 2HB LEU 84 18.169 -2.468 -2.990 558 HG LEU 84 HG LEU 84 15.378 -3.390 -3.676 559 HD11 LEU 84 1HD1 LEU 84 16.227 -4.670 -1.834 560 HD12 LEU 84 2HD1 LEU 84 15.106 -3.461 -1.209 561 HD13 LEU 84 3HD1 LEU 84 16.844 -3.216 -1.049 562 HD21 LEU 84 3HD2 LEU 84 14.677 -1.413 -2.403 563 HD22 LEU 84 1HD2 LEU 84 15.610 -0.977 -3.835 564 HD23 LEU 84 2HD2 LEU 84 16.365 -0.926 -2.242 565 H GLN 85 H GLN 85 19.118 -0.323 -4.807 566 HA GLN 85 HA GLN 85 21.496 -1.720 -5.845 567 HB2 GLN 85 1HB GLN 85 22.227 0.588 -6.624 568 HB3 GLN 85 2HB GLN 85 20.909 -0.160 -7.517 569 HG2 GLN 85 1HG GLN 85 20.278 1.675 -5.258 570 HG3 GLN 85 2HG GLN 85 20.789 2.347 -6.805 571 HE21 GLN 85 1HE2 GLN 85 19.559 1.684 -8.707 572 HE22 GLN 85 2HE2 GLN 85 17.866 1.382 -8.539 573 HA PRO 86 HA PRO 86 23.046 -2.615 -5.263 574 HB2 PRO 86 1HB PRO 86 23.762 -4.276 -3.239 575 HB3 PRO 86 2HB PRO 86 24.859 -3.075 -3.930 576 HG2 PRO 86 1HG PRO 86 23.223 -2.928 -1.428 577 HG3 PRO 86 2HG PRO 86 24.902 -2.426 -1.697 578 HD2 PRO 86 1HD PRO 86 22.845 -0.667 -1.663 579 HD3 PRO 86 2HD PRO 86 24.283 -0.434 -2.677 580 H VAL 87 H VAL 87 22.305 -4.948 -5.140 581 HA VAL 87 HA VAL 87 19.475 -4.983 -4.633 582 HB VAL 87 HB VAL 87 21.421 -6.901 -5.846 583 HG11 VAL 87 1HG1 VAL 87 20.093 -8.292 -4.356 584 HG12 VAL 87 2HG1 VAL 87 18.607 -7.609 -5.018 585 HG13 VAL 87 3HG1 VAL 87 19.658 -8.594 -6.038 586 HG21 VAL 87 3HG2 VAL 87 19.186 -6.777 -7.417 587 HG22 VAL 87 1HG2 VAL 87 19.230 -5.165 -6.703 588 HG23 VAL 87 2HG2 VAL 87 20.620 -5.767 -7.606 589 H MET 88 H MET 88 18.367 -6.505 -3.304 590 HA MET 88 HA MET 88 19.752 -7.004 -0.804 591 HB2 MET 88 1HB MET 88 16.915 -6.958 -1.703 592 HB3 MET 88 2HB MET 88 17.308 -7.953 -0.307 593 HG2 MET 88 1HG MET 88 18.336 -5.960 0.753 594 HG3 MET 88 2HG MET 88 17.767 -4.997 -0.608 595 HE1 MET 88 3HE MET 88 17.198 -4.868 2.696 596 HE2 MET 88 1HE MET 88 15.611 -5.484 3.159 597 HE3 MET 88 2HE MET 88 16.917 -6.608 2.783 598 H LYS 89 H LYS 89 20.950 -8.791 -0.697 599 HA LYS 89 HA LYS 89 20.648 -11.073 -2.293 600 HB2 LYS 89 1HB LYS 89 22.149 -10.434 0.207 601 HB3 LYS 89 2HB LYS 89 22.013 -12.119 -0.279 602 HG2 LYS 89 1HG LYS 89 24.002 -11.475 -1.248 603 HG3 LYS 89 2HG LYS 89 22.854 -11.277 -2.574 604 HD2 LYS 89 1HD LYS 89 22.658 -8.838 -1.654 605 HD3 LYS 89 2HD LYS 89 24.222 -9.200 -0.918 606 HE2 LYS 89 1HE LYS 89 23.819 -9.822 -3.802 607 HE3 LYS 89 2HE LYS 89 24.044 -8.140 -3.327 608 HZ1 LYS 89 3HZ LYS 89 26.073 -9.011 -2.077 609 HZ2 LYS 89 1HZ LYS 89 26.179 -8.903 -3.762 610 HZ3 LYS 89 2HZ LYS 89 25.916 -10.403 -3.025 611 H SER 90 H SER 90 19.233 -10.188 0.776 612 HA SER 90 HA SER 90 17.551 -12.586 0.634 613 HB2 SER 90 1HB SER 90 17.717 -12.765 3.150 614 HB3 SER 90 2HB SER 90 19.188 -13.192 2.276 615 HG SER 90 HG SER 90 20.173 -11.619 3.247 616 H VAL 91 H VAL 91 15.727 -12.363 2.361 617 HA VAL 91 HA VAL 91 14.658 -9.631 2.116 618 HB VAL 91 HB VAL 91 13.184 -12.247 2.457 619 HG11 VAL 91 1HG1 VAL 91 12.090 -10.346 3.602 620 HG12 VAL 91 2HG1 VAL 91 12.055 -9.478 2.066 621 HG13 VAL 91 3HG1 VAL 91 11.143 -10.976 2.255 622 HG21 VAL 91 3HG2 VAL 91 13.720 -12.287 0.240 623 HG22 VAL 91 1HG2 VAL 91 12.261 -11.299 0.159 624 HG23 VAL 91 2HG2 VAL 91 13.849 -10.532 0.125 625 HA PRO 92 HA PRO 92 15.029 -9.278 6.516 626 HB2 PRO 92 1HB PRO 92 13.573 -7.003 6.788 627 HB3 PRO 92 2HB PRO 92 15.222 -7.017 6.153 628 HG2 PRO 92 1HG PRO 92 12.624 -6.900 4.672 629 HG3 PRO 92 2HG PRO 92 14.117 -5.987 4.386 630 HD2 PRO 92 1HD PRO 92 13.429 -8.154 2.914 631 HD3 PRO 92 2HD PRO 92 15.118 -7.734 3.264 632 H THR 93 H THR 93 13.581 -9.037 8.418 633 HA THR 93 HA THR 93 10.832 -9.940 7.906 634 HB THR 93 HB THR 93 12.581 -11.136 10.060 635 HG1 THR 93 HG1 THR 93 11.718 -12.628 7.851 636 HG21 THR 93 3HG2 THR 93 10.113 -12.432 9.038 637 HG22 THR 93 1HG2 THR 93 9.917 -11.013 10.067 638 HG23 THR 93 2HG2 THR 93 10.795 -12.421 10.664 639 H ASN 94 H ASN 94 13.150 -8.457 10.096 640 HA ASN 94 HA ASN 94 11.074 -7.617 11.939 641 HB2 ASN 94 1HB ASN 94 13.156 -6.330 12.913 642 HB3 ASN 94 2HB ASN 94 12.999 -8.070 13.134 643 HD21 ASN 94 1HD2 ASN 94 14.784 -5.527 11.684 644 HD22 ASN 94 2HD2 ASN 94 16.036 -6.499 10.997 645 H GLY 95 H GLY 95 9.789 -6.279 10.620 646 HA2 GLY 95 1HA GLY 95 9.301 -4.401 9.318 647 HA3 GLY 95 2HA GLY 95 9.931 -3.633 10.767 648 H TRP 96 H TRP 96 10.591 -4.532 7.471 649 HA TRP 96 HA TRP 96 13.306 -3.736 7.394 650 HB2 TRP 96 1HB TRP 96 12.454 -5.164 5.657 651 HB3 TRP 96 2HB TRP 96 11.224 -3.983 5.217 652 HD1 TRP 96 HD1 TRP 96 15.094 -4.273 5.206 653 HE1 TRP 96 HE1 TRP 96 15.980 -2.938 3.191 654 HE3 TRP 96 HE3 TRP 96 10.675 -2.353 3.499 655 HZ2 TRP 96 HZ2 TRP 96 14.942 -1.288 1.149 656 HZ3 TRP 96 HZ3 TRP 96 10.708 -0.905 1.509 657 HH2 TRP 96 HH2 TRP 96 12.798 -0.384 0.361 658 H LYS 97 H LYS 97 14.261 -1.826 6.717 659 HA LYS 97 HA LYS 97 12.475 0.513 6.558 660 HB2 LYS 97 1HB LYS 97 14.042 0.100 8.665 661 HB3 LYS 97 2HB LYS 97 15.251 0.814 7.606 662 HG2 LYS 97 1HG LYS 97 13.670 2.746 7.288 663 HG3 LYS 97 2HG LYS 97 12.693 2.053 8.584 664 HD2 LYS 97 1HD LYS 97 15.620 2.601 8.957 665 HD3 LYS 97 2HD LYS 97 14.413 3.867 9.192 666 HE2 LYS 97 1HE LYS 97 14.332 1.197 10.585 667 HE3 LYS 97 2HE LYS 97 15.090 2.633 11.271 668 HZ1 LYS 97 3HZ LYS 97 12.967 2.655 12.159 669 HZ2 LYS 97 1HZ LYS 97 12.234 2.136 10.724 670 HZ3 LYS 97 2HZ LYS 97 12.823 3.717 10.850 671 H CYS 98 H CYS 98 12.567 1.454 4.638 672 HA CYS 98 HA CYS 98 14.611 0.860 2.739 673 HB2 CYS 98 1HB CYS 98 13.336 2.057 1.202 674 HB3 CYS 98 2HB CYS 98 12.118 1.491 2.341 675 H LYS 99 H LYS 99 15.747 2.660 1.536 676 HA LYS 99 HA LYS 99 17.484 4.011 3.281 677 HB2 LYS 99 1HB LYS 99 18.110 3.366 0.996 678 HB3 LYS 99 2HB LYS 99 16.955 4.524 0.348 679 HG2 LYS 99 1HG LYS 99 18.858 5.752 0.181 680 HG3 LYS 99 2HG LYS 99 18.361 6.213 1.811 681 HD2 LYS 99 1HD LYS 99 19.860 4.529 2.751 682 HD3 LYS 99 2HD LYS 99 20.341 4.040 1.125 683 HE2 LYS 99 1HE LYS 99 20.711 6.814 2.245 684 HE3 LYS 99 2HE LYS 99 21.955 5.566 2.260 685 HZ1 LYS 99 3HZ LYS 99 20.790 6.978 -0.054 686 HZ2 LYS 99 1HZ LYS 99 21.548 5.478 -0.249 687 HZ3 LYS 99 2HZ LYS 99 22.418 6.791 0.365 688 H ASN 100 H ASN 100 15.157 5.462 0.994 689 HA ASN 100 HA ASN 100 15.257 8.063 1.665 690 HB2 ASN 100 1HB ASN 100 13.717 7.282 -0.022 691 HB3 ASN 100 2HB ASN 100 12.759 6.427 1.184 692 HD21 ASN 100 1HD2 ASN 100 11.680 7.730 2.813 693 HD22 ASN 100 2HD2 ASN 100 11.129 9.312 2.391 694 H CYS 101 H CYS 101 14.129 5.504 3.699 695 HA CYS 101 HA CYS 101 12.981 7.362 5.636 696 HB2 CYS 101 1HB CYS 101 12.971 4.383 5.313 697 HB3 CYS 101 2HB CYS 101 12.626 5.086 6.890 698 H ARG 102 H ARG 102 15.695 5.153 5.254 699 HA ARG 102 HA ARG 102 16.712 5.041 7.798 700 HB2 ARG 102 1HB ARG 102 18.750 4.412 6.860 701 HB3 ARG 102 2HB ARG 102 17.594 4.004 5.600 702 HG2 ARG 102 1HG ARG 102 18.380 5.572 4.178 703 HG3 ARG 102 2HG ARG 102 18.771 6.706 5.471 704 HD2 ARG 102 1HD ARG 102 20.336 4.178 5.068 705 HD3 ARG 102 2HD ARG 102 20.708 5.646 4.165 706 HE ARG 102 HE ARG 102 21.265 5.127 6.933 707 HH11 ARG 102 2HH1 ARG 102 20.699 7.600 4.550 708 HH12 ARG 102 1HH1 ARG 102 21.551 8.826 5.429 709 HH21 ARG 102 2HH2 ARG 102 22.390 6.732 8.100 710 HH22 ARG 102 1HH2 ARG 102 22.514 8.330 7.448 711 H ILE 103 H ILE 103 16.569 7.766 5.678 712 HA ILE 103 HA ILE 103 18.602 9.398 6.533 713 HB ILE 103 HB ILE 103 15.793 10.019 5.684 714 HG12 ILE 103 1HG1 ILE 103 17.427 11.289 3.960 715 HG13 ILE 103 2HG1 ILE 103 18.510 10.007 4.490 716 HG21 ILE 103 1HG2 ILE 103 16.603 12.442 5.589 717 HG22 ILE 103 2HG2 ILE 103 16.140 11.798 7.163 718 HG23 ILE 103 3HG2 ILE 103 17.845 11.939 6.734 719 HD11 ILE 103 3HD1 ILE 103 15.867 9.756 3.100 720 HD12 ILE 103 1HD1 ILE 103 17.451 9.193 2.568 721 HD13 ILE 103 2HD1 ILE 103 16.639 8.398 3.917 722 H CYS 104 H CYS 104 18.850 10.954 8.156 723 HA CYS 104 HA CYS 104 17.866 10.215 10.706 724 HB2 CYS 104 1HB CYS 104 19.052 12.211 11.518 725 HB3 CYS 104 2HB CYS 104 20.055 11.266 10.424 726 HG CYS 104 HG CYS 104 20.780 13.524 9.366 727 H ILE 105 H ILE 105 15.978 10.676 11.602 728 HA ILE 105 HA ILE 105 14.351 12.828 10.468 729 HB ILE 105 HB ILE 105 13.361 10.556 10.689 730 HG12 ILE 105 1HG1 ILE 105 11.278 11.385 11.968 731 HG13 ILE 105 2HG1 ILE 105 12.163 12.894 12.160 732 HG21 ILE 105 1HG2 ILE 105 12.679 9.805 12.946 733 HG22 ILE 105 2HG2 ILE 105 14.427 9.824 12.721 734 HG23 ILE 105 3HG2 ILE 105 13.642 11.110 13.638 735 HD11 ILE 105 3HD1 ILE 105 10.630 12.964 10.267 736 HD12 ILE 105 1HD1 ILE 105 12.307 13.135 9.752 737 HD13 ILE 105 2HD1 ILE 105 11.471 11.597 9.535 738 H SER 106 H SER 106 13.482 14.480 11.699 739 HA SER 106 HA SER 106 14.995 15.664 13.643 740 HB2 SER 106 1HB SER 106 13.054 16.689 12.392 741 HB3 SER 106 2HB SER 106 11.980 15.885 13.536 742 HG SER 106 HG SER 106 13.882 17.173 14.894 743 H GLY 107 H GLY 107 15.408 15.323 15.729 744 HA2 GLY 107 1HA GLY 107 13.455 13.935 17.398 745 HA3 GLY 107 2HA GLY 107 15.016 13.154 17.197 746 HA PRO 108 HA PRO 108 15.047 16.238 20.770 747 HB2 PRO 108 1HB PRO 108 15.442 14.429 22.755 748 HB3 PRO 108 2HB PRO 108 13.834 14.924 22.213 749 HG2 PRO 108 1HG PRO 108 15.401 12.473 21.505 750 HG3 PRO 108 2HG PRO 108 13.678 12.625 21.898 751 HD2 PRO 108 1HD PRO 108 14.579 12.420 19.353 752 HD3 PRO 108 2HD PRO 108 13.131 13.353 19.781 753 H SER 109 H SER 109 16.850 16.320 22.500 754 HA SER 109 HA SER 109 19.275 14.904 21.941 755 HB2 SER 109 1HB SER 109 19.388 16.450 20.074 756 HB3 SER 109 2HB SER 109 19.076 17.818 21.143 757 HG SER 109 HG SER 109 21.073 17.157 22.240 758 H SER 110 H SER 110 20.897 15.284 23.490 759 HA SER 110 HA SER 110 20.198 15.648 26.069 760 HB2 SER 110 1HB SER 110 22.543 16.170 26.570 761 HB3 SER 110 2HB SER 110 22.434 14.897 25.355 762 HG SER 110 HG SER 110 22.498 17.044 23.953 763 H GLY 111 H GLY 111 20.305 17.343 27.611 764 HA2 GLY 111 1HA GLY 111 20.726 20.062 26.810 765 HA3 GLY 111 2HA GLY 111 19.019 19.682 26.984 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -31.981 -0.648 18.430 2 HA2 GLY 1 1HA GLY 1 -32.147 -2.443 16.650 3 HA3 GLY 1 2HA GLY 1 -32.543 -1.115 15.569 4 H SER 2 H SER 2 -30.690 -1.947 14.345 5 HA SER 2 HA SER 2 -28.096 -1.200 15.506 6 HB2 SER 2 1HB SER 2 -27.075 -2.597 13.810 7 HB3 SER 2 2HB SER 2 -28.349 -3.517 14.610 8 HG SER 2 HG SER 2 -29.056 -2.072 12.339 9 H SER 3 H SER 3 -27.047 0.543 14.808 10 HA SER 3 HA SER 3 -27.870 1.744 12.247 11 HB2 SER 3 1HB SER 3 -28.717 2.973 14.297 12 HB3 SER 3 2HB SER 3 -27.033 3.331 14.679 13 HG SER 3 HG SER 3 -27.958 3.916 12.108 14 H GLY 4 H GLY 4 -26.122 0.848 11.140 15 HA2 GLY 4 1HA GLY 4 -23.660 2.325 11.402 16 HA3 GLY 4 2HA GLY 4 -23.503 0.627 11.828 17 H SER 5 H SER 5 -23.742 2.913 9.285 18 HA SER 5 HA SER 5 -22.926 0.963 7.352 19 HB2 SER 5 1HB SER 5 -25.401 0.618 7.412 20 HB3 SER 5 2HB SER 5 -25.607 2.298 6.916 21 HG SER 5 HG SER 5 -25.129 1.757 4.943 22 H SER 6 H SER 6 -21.712 1.903 5.821 23 HA SER 6 HA SER 6 -22.082 4.738 5.216 24 HB2 SER 6 1HB SER 6 -19.453 3.548 6.132 25 HB3 SER 6 2HB SER 6 -19.650 5.171 5.472 26 HG SER 6 HG SER 6 -19.732 5.360 7.673 27 H GLY 7 H GLY 7 -20.479 5.388 3.406 28 HA2 GLY 7 1HA GLY 7 -20.900 3.543 1.242 29 HA3 GLY 7 2HA GLY 7 -20.133 5.121 1.135 30 H ALA 8 H ALA 8 -17.913 5.162 2.326 31 HA ALA 8 HA ALA 8 -16.265 3.231 1.004 32 HB1 ALA 8 3HB ALA 8 -15.820 5.671 2.622 33 HB2 ALA 8 1HB ALA 8 -14.501 4.503 2.544 34 HB3 ALA 8 2HB ALA 8 -15.147 5.205 1.061 35 H ASN 9 H ASN 9 -16.631 1.203 1.844 36 HA ASN 9 HA ASN 9 -16.238 0.811 4.721 37 HB2 ASN 9 1HB ASN 9 -16.909 -1.632 3.946 38 HB3 ASN 9 2HB ASN 9 -18.130 -0.386 4.188 39 HD21 ASN 9 1HD2 ASN 9 -16.502 -2.392 1.921 40 HD22 ASN 9 2HD2 ASN 9 -17.444 -1.966 0.537 41 H CYS 10 H CYS 10 -14.807 -0.822 5.502 42 HA CYS 10 HA CYS 10 -12.262 -0.787 4.330 43 HB2 CYS 10 1HB CYS 10 -12.815 -1.221 6.759 44 HB3 CYS 10 2HB CYS 10 -13.262 -2.857 6.289 45 H ALA 11 H ALA 11 -11.436 -1.886 2.687 46 HA ALA 11 HA ALA 11 -12.941 -3.897 1.330 47 HB1 ALA 11 3HB ALA 11 -10.539 -2.340 0.840 48 HB2 ALA 11 1HB ALA 11 -10.390 -4.007 0.281 49 HB3 ALA 11 2HB ALA 11 -11.715 -2.996 -0.299 50 H VAL 12 H VAL 12 -11.433 -4.160 4.145 51 HA VAL 12 HA VAL 12 -10.400 -6.867 3.601 52 HB VAL 12 HB VAL 12 -9.649 -5.027 5.877 53 HG11 VAL 12 1HG1 VAL 12 -9.633 -7.538 6.283 54 HG12 VAL 12 2HG1 VAL 12 -8.315 -7.609 5.110 55 HG13 VAL 12 3HG1 VAL 12 -8.129 -6.672 6.593 56 HG21 VAL 12 3HG2 VAL 12 -7.675 -5.907 3.851 57 HG22 VAL 12 1HG2 VAL 12 -8.843 -4.681 3.359 58 HG23 VAL 12 2HG2 VAL 12 -7.787 -4.389 4.741 59 H CYS 13 H CYS 13 -12.047 -4.897 6.066 60 HA CYS 13 HA CYS 13 -13.260 -7.358 7.128 61 HB2 CYS 13 1HB CYS 13 -13.586 -6.211 9.199 62 HB3 CYS 13 2HB CYS 13 -11.931 -5.892 8.690 63 H ASP 14 H ASP 14 -13.910 -4.411 5.488 64 HA ASP 14 HA ASP 14 -15.805 -3.541 4.577 65 HB2 ASP 14 1HB ASP 14 -17.092 -6.166 5.357 66 HB3 ASP 14 2HB ASP 14 -17.701 -5.010 4.176 67 H SER 15 H SER 15 -15.300 -2.548 6.969 68 HA SER 15 HA SER 15 -17.962 -2.200 8.124 69 HB2 SER 15 1HB SER 15 -15.548 -3.215 9.575 70 HB3 SER 15 2HB SER 15 -16.690 -2.181 10.433 71 HG SER 15 HG SER 15 -17.071 -4.741 9.342 72 HA PRO 16 HA PRO 16 -16.752 2.035 7.947 73 HB2 PRO 16 1HB PRO 16 -18.659 3.058 9.587 74 HB3 PRO 16 2HB PRO 16 -19.000 2.512 7.941 75 HG2 PRO 16 1HG PRO 16 -19.442 1.090 10.538 76 HG3 PRO 16 2HG PRO 16 -20.508 1.196 9.125 77 HD2 PRO 16 1HD PRO 16 -18.969 -0.974 9.629 78 HD3 PRO 16 2HD PRO 16 -19.363 -0.445 7.981 79 H GLY 17 H GLY 17 -17.710 0.948 11.218 80 HA2 GLY 17 1HA GLY 17 -16.910 1.692 13.276 81 HA3 GLY 17 2HA GLY 17 -15.432 1.021 12.601 82 H ASP 18 H ASP 18 -13.741 2.335 12.376 83 HA ASP 18 HA ASP 18 -14.181 5.207 12.796 84 HB2 ASP 18 1HB ASP 18 -11.962 3.328 13.427 85 HB3 ASP 18 2HB ASP 18 -11.525 4.989 13.034 86 H LEU 19 H LEU 19 -13.800 6.643 11.231 87 HA LEU 19 HA LEU 19 -12.781 5.654 8.677 88 HB2 LEU 19 1HB LEU 19 -14.419 7.999 9.527 89 HB3 LEU 19 2HB LEU 19 -13.532 8.071 8.005 90 HG LEU 19 HG LEU 19 -15.792 7.429 7.548 91 HD11 LEU 19 1HD1 LEU 19 -14.227 4.874 7.388 92 HD12 LEU 19 2HD1 LEU 19 -13.841 6.271 6.385 93 HD13 LEU 19 3HD1 LEU 19 -15.426 5.508 6.261 94 HD21 LEU 19 3HD2 LEU 19 -16.892 6.468 9.245 95 HD22 LEU 19 1HD2 LEU 19 -15.422 5.776 9.932 96 HD23 LEU 19 2HD2 LEU 19 -16.248 4.953 8.609 97 H LEU 20 H LEU 20 -12.011 7.882 11.247 98 HA LEU 20 HA LEU 20 -10.090 9.460 9.972 99 HB2 LEU 20 1HB LEU 20 -10.680 8.695 12.775 100 HB3 LEU 20 2HB LEU 20 -9.100 9.401 12.444 101 HG LEU 20 HG LEU 20 -11.640 10.764 11.600 102 HD11 LEU 20 1HD1 LEU 20 -10.987 12.135 13.790 103 HD12 LEU 20 2HD1 LEU 20 -10.456 10.533 14.302 104 HD13 LEU 20 3HD1 LEU 20 -12.130 10.792 13.812 105 HD21 LEU 20 3HD2 LEU 20 -8.827 11.301 11.405 106 HD22 LEU 20 1HD2 LEU 20 -9.620 12.555 12.358 107 HD23 LEU 20 2HD2 LEU 20 -10.187 12.197 10.726 108 H ASP 21 H ASP 21 -9.913 6.221 11.262 109 HA ASP 21 HA ASP 21 -7.026 6.127 10.765 110 HB2 ASP 21 1HB ASP 21 -8.632 3.874 11.939 111 HB3 ASP 21 2HB ASP 21 -6.923 4.242 12.153 112 H GLN 22 H GLN 22 -8.780 6.288 8.539 113 HA GLN 22 HA GLN 22 -8.453 3.604 7.368 114 HB2 GLN 22 1HB GLN 22 -10.574 5.691 6.973 115 HB3 GLN 22 2HB GLN 22 -10.248 4.504 5.717 116 HG2 GLN 22 1HG GLN 22 -10.532 2.784 7.645 117 HG3 GLN 22 2HG GLN 22 -11.373 4.108 8.449 118 HE21 GLN 22 1HE2 GLN 22 -12.709 1.817 7.891 119 HE22 GLN 22 2HE2 GLN 22 -13.857 2.087 6.628 120 H PHE 23 H PHE 23 -6.832 3.509 5.976 121 HA PHE 23 HA PHE 23 -5.517 5.784 4.938 122 HB2 PHE 23 1HB PHE 23 -5.357 2.839 4.352 123 HB3 PHE 23 2HB PHE 23 -4.439 4.000 3.397 124 HD1 PHE 23 HD1 PHE 23 -2.645 5.306 4.418 125 HD2 PHE 23 HD2 PHE 23 -4.758 2.332 6.610 126 HE1 PHE 23 HE1 PHE 23 -0.872 5.309 6.125 127 HE2 PHE 23 HE2 PHE 23 -2.990 2.331 8.321 128 HZ PHE 23 HZ PHE 23 -1.044 3.822 8.080 129 H PHE 24 H PHE 24 -5.368 6.530 2.784 130 HA PHE 24 HA PHE 24 -7.638 5.782 1.063 131 HB2 PHE 24 1HB PHE 24 -8.167 7.931 1.981 132 HB3 PHE 24 2HB PHE 24 -6.547 8.536 1.651 133 HD1 PHE 24 HD2 PHE 24 -5.866 9.072 -0.642 134 HD2 PHE 24 HD1 PHE 24 -9.842 7.865 0.285 135 HE1 PHE 24 HE2 PHE 24 -6.631 9.930 -2.817 136 HE2 PHE 24 HE1 PHE 24 -10.612 8.721 -1.889 137 HZ PHE 24 HZ PHE 24 -9.006 9.756 -3.443 138 H CYS 25 H CYS 25 -6.911 4.845 -0.718 139 HA CYS 25 HA CYS 25 -4.206 5.163 -1.618 140 HB2 CYS 25 1HB CYS 25 -5.370 3.012 -1.824 141 HB3 CYS 25 2HB CYS 25 -6.547 3.745 -2.910 142 H THR 26 H THR 26 -3.581 5.870 -3.747 143 HA THR 26 HA THR 26 -5.182 8.156 -4.634 144 HB THR 26 HB THR 26 -3.150 8.868 -5.847 145 HG1 THR 26 HG1 THR 26 -1.595 6.972 -4.511 146 HG21 THR 26 3HG2 THR 26 -3.657 9.200 -3.258 147 HG22 THR 26 1HG2 THR 26 -2.177 9.802 -4.003 148 HG23 THR 26 2HG2 THR 26 -2.159 8.283 -3.108 149 H THR 27 H THR 27 -3.856 5.113 -5.746 150 HA THR 27 HA THR 27 -4.429 5.522 -8.512 151 HB THR 27 HB THR 27 -3.973 2.940 -7.004 152 HG1 THR 27 HG1 THR 27 -1.904 3.364 -7.242 153 HG21 THR 27 3HG2 THR 27 -3.612 1.894 -9.113 154 HG22 THR 27 1HG2 THR 27 -3.708 3.433 -9.966 155 HG23 THR 27 2HG2 THR 27 -5.152 2.744 -9.225 156 H CYS 28 H CYS 28 -5.871 3.160 -6.258 157 HA CYS 28 HA CYS 28 -8.264 3.037 -7.882 158 HB2 CYS 28 1HB CYS 28 -8.943 1.227 -6.452 159 HB3 CYS 28 2HB CYS 28 -7.237 1.010 -6.829 160 H GLY 29 H GLY 29 -7.402 4.017 -4.576 161 HA2 GLY 29 1HA GLY 29 -8.346 5.824 -3.409 162 HA3 GLY 29 2HA GLY 29 -9.650 5.875 -4.586 163 H GLN 30 H GLN 30 -8.470 3.155 -2.637 164 HA GLN 30 HA GLN 30 -11.207 2.763 -1.673 165 HB2 GLN 30 1HB GLN 30 -8.797 0.945 -1.705 166 HB3 GLN 30 2HB GLN 30 -10.319 0.526 -0.929 167 HG2 GLN 30 1HG GLN 30 -10.249 1.324 -3.808 168 HG3 GLN 30 2HG GLN 30 -9.844 -0.319 -3.316 169 HE21 GLN 30 1HE2 GLN 30 -11.507 -1.223 -1.680 170 HE22 GLN 30 2HE2 GLN 30 -13.162 -1.016 -2.129 171 H HIS 31 H HIS 31 -11.136 1.609 0.628 172 HA HIS 31 HA HIS 31 -9.477 3.294 2.386 173 HB2 HIS 31 1HB HIS 31 -12.297 2.358 2.951 174 HB3 HIS 31 2HB HIS 31 -11.318 3.415 3.964 175 HD1 HIS 31 HD1 HIS 31 -12.069 5.750 3.776 176 HD2 HIS 31 HD2 HIS 31 -12.491 3.714 0.179 177 HE1 HIS 31 HE1 HIS 31 -13.018 7.428 2.161 178 HE2 HIS 31 HE2 HIS 31 -13.344 6.150 0.015 179 H TYR 32 H TYR 32 -8.553 2.340 4.160 180 HA TYR 32 HA TYR 32 -9.186 -0.434 4.785 181 HB2 TYR 32 1HB TYR 32 -6.411 0.465 3.982 182 HB3 TYR 32 2HB TYR 32 -6.806 -1.110 4.661 183 HD1 TYR 32 HD1 TYR 32 -8.050 -2.757 3.341 184 HD2 TYR 32 HD2 TYR 32 -6.923 0.998 1.687 185 HE1 TYR 32 HE1 TYR 32 -8.504 -3.622 1.083 186 HE2 TYR 32 HE2 TYR 32 -7.375 0.144 -0.575 187 HH TYR 32 HH TYR 32 -8.764 -3.060 -1.086 188 H HIS 33 H HIS 33 -8.665 -1.037 6.873 189 HA HIS 33 HA HIS 33 -8.241 1.141 8.716 190 HB2 HIS 33 1HB HIS 33 -8.854 -1.787 9.029 191 HB3 HIS 33 2HB HIS 33 -8.414 -0.798 10.418 192 HD2 HIS 33 HD2 HIS 33 -10.243 1.846 9.663 193 HE1 HIS 33 HE1 HIS 33 -13.454 -0.926 9.748 194 HE2 HIS 33 HE2 HIS 33 -12.806 1.508 9.741 195 H GLY 34 H GLY 34 -6.661 0.975 10.499 196 HA2 GLY 34 1HA GLY 34 -4.041 0.467 9.437 197 HA3 GLY 34 2HA GLY 34 -4.417 1.070 11.045 198 H MET 35 H MET 35 -6.227 -1.221 11.571 199 HA MET 35 HA MET 35 -4.162 -3.064 12.453 200 HB2 MET 35 1HB MET 35 -5.963 -2.293 13.992 201 HB3 MET 35 2HB MET 35 -7.137 -3.130 12.985 202 HG2 MET 35 1HG MET 35 -5.716 -5.221 13.425 203 HG3 MET 35 2HG MET 35 -4.999 -4.281 14.731 204 HE1 MET 35 3HE MET 35 -8.744 -6.547 14.440 205 HE2 MET 35 1HE MET 35 -7.177 -6.637 13.634 206 HE3 MET 35 2HE MET 35 -7.349 -7.209 15.293 207 H CYS 36 H CYS 36 -7.108 -3.129 10.477 208 HA CYS 36 HA CYS 36 -7.247 -5.805 9.861 209 HB2 CYS 36 1HB CYS 36 -7.925 -3.339 8.284 210 HB3 CYS 36 2HB CYS 36 -8.138 -4.938 7.578 211 H LEU 37 H LEU 37 -5.166 -3.340 8.434 212 HA LEU 37 HA LEU 37 -3.907 -5.380 6.744 213 HB2 LEU 37 1HB LEU 37 -3.990 -2.391 6.681 214 HB3 LEU 37 2HB LEU 37 -2.697 -3.258 5.855 215 HG LEU 37 HG LEU 37 -5.634 -3.663 5.300 216 HD11 LEU 37 1HD1 LEU 37 -5.524 -2.168 3.556 217 HD12 LEU 37 2HD1 LEU 37 -3.766 -2.247 3.454 218 HD13 LEU 37 3HD1 LEU 37 -4.533 -1.360 4.771 219 HD21 LEU 37 3HD2 LEU 37 -3.161 -4.951 4.414 220 HD22 LEU 37 1HD2 LEU 37 -4.217 -4.437 3.099 221 HD23 LEU 37 2HD2 LEU 37 -4.829 -5.522 4.347 222 H ASP 38 H ASP 38 -3.567 -4.500 9.767 223 HA ASP 38 HA ASP 38 -1.882 -4.405 11.297 224 HB2 ASP 38 1HB ASP 38 -0.668 -6.122 9.137 225 HB3 ASP 38 2HB ASP 38 0.177 -5.789 10.647 226 H ILE 39 H ILE 39 -2.074 -2.165 9.565 227 HA ILE 39 HA ILE 39 0.721 -1.412 9.089 228 HB ILE 39 HB ILE 39 -1.831 -0.047 8.225 229 HG12 ILE 39 1HG1 ILE 39 0.248 -1.548 6.617 230 HG13 ILE 39 2HG1 ILE 39 -1.336 -2.176 7.059 231 HG21 ILE 39 1HG2 ILE 39 -0.424 1.742 8.303 232 HG22 ILE 39 2HG2 ILE 39 1.023 0.754 8.103 233 HG23 ILE 39 3HG2 ILE 39 0.005 1.119 6.710 234 HD11 ILE 39 3HD1 ILE 39 -2.140 0.031 5.848 235 HD12 ILE 39 1HD1 ILE 39 -0.591 -0.158 5.026 236 HD13 ILE 39 2HD1 ILE 39 -1.789 -1.452 4.961 237 H ALA 40 H ALA 40 1.631 0.432 9.992 238 HA ALA 40 HA ALA 40 0.333 1.338 12.456 239 HB1 ALA 40 3HB ALA 40 2.455 0.662 13.026 240 HB2 ALA 40 1HB ALA 40 3.159 1.227 11.511 241 HB3 ALA 40 2HB ALA 40 2.710 2.387 12.761 242 H VAL 41 H VAL 41 -1.064 2.940 11.879 243 HA VAL 41 HA VAL 41 -0.856 4.823 9.902 244 HB VAL 41 HB VAL 41 -2.025 5.261 12.654 245 HG11 VAL 41 1HG1 VAL 41 -2.790 7.253 11.992 246 HG12 VAL 41 2HG1 VAL 41 -1.588 7.148 10.704 247 HG13 VAL 41 3HG1 VAL 41 -3.252 6.645 10.403 248 HG21 VAL 41 3HG2 VAL 41 -3.320 4.287 10.108 249 HG22 VAL 41 1HG2 VAL 41 -2.951 3.301 11.522 250 HG23 VAL 41 2HG2 VAL 41 -4.144 4.595 11.636 251 H THR 42 H THR 42 0.519 6.407 9.469 252 HA THR 42 HA THR 42 1.822 7.832 11.673 253 HB THR 42 HB THR 42 3.980 7.812 10.368 254 HG1 THR 42 HG1 THR 42 3.994 5.746 8.993 255 HG21 THR 42 3HG2 THR 42 3.450 4.972 10.999 256 HG22 THR 42 1HG2 THR 42 3.114 6.131 12.284 257 HG23 THR 42 2HG2 THR 42 4.727 6.043 11.576 258 HA PRO 43 HA PRO 43 0.996 11.448 9.323 259 HB2 PRO 43 1HB PRO 43 3.085 13.031 10.029 260 HB3 PRO 43 2HB PRO 43 1.754 12.652 11.128 261 HG2 PRO 43 1HG PRO 43 4.481 11.429 10.964 262 HG3 PRO 43 2HG PRO 43 3.553 11.905 12.398 263 HD2 PRO 43 1HD PRO 43 3.712 9.338 11.552 264 HD3 PRO 43 2HD PRO 43 2.272 9.989 12.359 265 H LEU 44 H LEU 44 3.223 9.306 8.398 266 HA LEU 44 HA LEU 44 4.469 11.016 6.364 267 HB2 LEU 44 1HB LEU 44 5.803 9.438 7.884 268 HB3 LEU 44 2HB LEU 44 5.142 8.139 6.892 269 HG LEU 44 HG LEU 44 7.359 8.654 6.134 270 HD11 LEU 44 1HD1 LEU 44 6.943 8.878 3.856 271 HD12 LEU 44 2HD1 LEU 44 5.575 9.960 4.112 272 HD13 LEU 44 3HD1 LEU 44 5.425 8.244 4.492 273 HD21 LEU 44 3HD2 LEU 44 8.206 10.739 5.752 274 HD22 LEU 44 1HD2 LEU 44 7.049 11.122 7.027 275 HD23 LEU 44 2HD2 LEU 44 6.634 11.426 5.340 276 H LYS 45 H LYS 45 2.735 7.934 6.710 277 HA LYS 45 HA LYS 45 2.472 7.488 3.915 278 HB2 LYS 45 1HB LYS 45 1.229 6.310 6.373 279 HB3 LYS 45 2HB LYS 45 0.560 5.924 4.793 280 HG2 LYS 45 1HG LYS 45 2.576 4.913 4.082 281 HG3 LYS 45 2HG LYS 45 3.464 5.550 5.468 282 HD2 LYS 45 1HD LYS 45 1.111 3.765 5.921 283 HD3 LYS 45 2HD LYS 45 2.658 3.060 5.443 284 HE2 LYS 45 1HE LYS 45 2.985 3.027 7.683 285 HE3 LYS 45 2HE LYS 45 3.506 4.686 7.392 286 HZ1 LYS 45 3HZ LYS 45 1.115 3.699 8.718 287 HZ2 LYS 45 1HZ LYS 45 0.906 5.060 7.736 288 HZ3 LYS 45 2HZ LYS 45 2.016 5.100 9.011 289 H ARG 46 H ARG 46 0.153 8.591 6.387 290 HA ARG 46 HA ARG 46 -2.144 8.947 5.135 291 HB2 ARG 46 1HB ARG 46 -0.701 11.058 6.741 292 HB3 ARG 46 2HB ARG 46 -2.390 11.189 6.269 293 HG2 ARG 46 1HG ARG 46 -3.037 9.424 7.645 294 HG3 ARG 46 2HG ARG 46 -1.387 8.815 7.793 295 HD2 ARG 46 1HD ARG 46 -0.767 10.515 9.270 296 HD3 ARG 46 2HD ARG 46 -2.138 11.529 8.820 297 HE ARG 46 HE ARG 46 -2.141 9.314 10.700 298 HH11 ARG 46 2HH1 ARG 46 -3.990 11.603 8.839 299 HH12 ARG 46 1HH1 ARG 46 -5.411 11.449 9.818 300 HH21 ARG 46 2HH2 ARG 46 -4.006 9.103 11.996 301 HH22 ARG 46 1HH2 ARG 46 -5.419 10.027 11.614 302 H ALA 47 H ALA 47 0.714 10.916 4.482 303 HA ALA 47 HA ALA 47 -0.612 12.585 2.562 304 HB1 ALA 47 3HB ALA 47 2.213 12.250 3.474 305 HB2 ALA 47 1HB ALA 47 1.863 13.162 2.005 306 HB3 ALA 47 2HB ALA 47 1.170 13.670 3.546 307 H GLY 48 H GLY 48 -1.463 11.421 0.890 308 HA2 GLY 48 1HA GLY 48 -1.498 10.277 -1.100 309 HA3 GLY 48 2HA GLY 48 0.207 10.677 -1.239 310 H TRP 49 H TRP 49 -1.674 8.585 0.951 311 HA TRP 49 HA TRP 49 0.372 6.602 1.013 312 HB2 TRP 49 1HB TRP 49 -1.009 6.779 2.942 313 HB3 TRP 49 2HB TRP 49 -2.483 6.647 1.987 314 HD1 TRP 49 HD1 TRP 49 0.358 4.505 3.414 315 HE1 TRP 49 HE1 TRP 49 -0.387 2.041 3.395 316 HE3 TRP 49 HE3 TRP 49 -4.026 5.002 0.831 317 HZ2 TRP 49 HZ2 TRP 49 -2.546 0.511 2.414 318 HZ3 TRP 49 HZ3 TRP 49 -5.372 2.989 0.394 319 HH2 TRP 49 HH2 TRP 49 -4.645 0.791 1.169 320 H GLN 50 H GLN 50 0.091 4.352 0.352 321 HA GLN 50 HA GLN 50 -1.628 4.056 -2.018 322 HB2 GLN 50 1HB GLN 50 1.296 3.550 -1.719 323 HB3 GLN 50 2HB GLN 50 0.368 2.479 -2.761 324 HG2 GLN 50 1HG GLN 50 -0.503 4.776 -3.736 325 HG3 GLN 50 2HG GLN 50 1.037 5.347 -3.095 326 HE21 GLN 50 1HE2 GLN 50 -0.467 3.055 -5.283 327 HE22 GLN 50 2HE2 GLN 50 0.911 2.836 -6.302 328 H CYS 51 H CYS 51 -2.627 2.103 -2.287 329 HA CYS 51 HA CYS 51 -2.645 0.357 0.033 330 HB2 CYS 51 1HB CYS 51 -4.681 -0.463 -0.744 331 HB3 CYS 51 2HB CYS 51 -4.706 1.204 -1.308 332 HA PRO 52 HA PRO 52 -0.202 -2.898 -1.605 333 HB2 PRO 52 1HB PRO 52 -1.490 -5.092 -0.655 334 HB3 PRO 52 2HB PRO 52 -0.547 -4.010 0.376 335 HG2 PRO 52 1HG PRO 52 -3.508 -4.119 -0.049 336 HG3 PRO 52 2HG PRO 52 -2.602 -3.917 1.462 337 HD2 PRO 52 1HD PRO 52 -3.746 -1.836 0.160 338 HD3 PRO 52 2HD PRO 52 -2.245 -1.670 1.094 339 H GLU 53 H GLU 53 -3.304 -2.322 -2.703 340 HA GLU 53 HA GLU 53 -3.329 -4.594 -4.548 341 HB2 GLU 53 1HB GLU 53 -5.425 -2.448 -4.193 342 HB3 GLU 53 2HB GLU 53 -5.600 -3.964 -5.067 343 HG2 GLU 53 1HG GLU 53 -5.093 -5.080 -2.808 344 HG3 GLU 53 2HG GLU 53 -5.457 -3.501 -2.116 345 H CYS 54 H CYS 54 -2.509 -1.285 -4.413 346 HA CYS 54 HA CYS 54 -2.383 -1.168 -7.356 347 HB2 CYS 54 1HB CYS 54 -2.756 1.097 -5.386 348 HB3 CYS 54 2HB CYS 54 -2.524 1.304 -7.119 349 H LYS 55 H LYS 55 -0.802 -0.190 -4.340 350 HA LYS 55 HA LYS 55 1.408 1.103 -4.983 351 HB2 LYS 55 1HB LYS 55 2.556 0.095 -3.193 352 HB3 LYS 55 2HB LYS 55 0.855 -0.050 -2.769 353 HG2 LYS 55 1HG LYS 55 0.875 -2.371 -3.595 354 HG3 LYS 55 2HG LYS 55 2.603 -2.214 -3.923 355 HD2 LYS 55 1HD LYS 55 1.514 -1.629 -1.195 356 HD3 LYS 55 2HD LYS 55 1.827 -3.292 -1.695 357 HE2 LYS 55 1HE LYS 55 3.887 -1.108 -1.893 358 HE3 LYS 55 2HE LYS 55 3.699 -2.116 -0.459 359 HZ1 LYS 55 3HZ LYS 55 5.120 -2.694 -2.787 360 HZ2 LYS 55 1HZ LYS 55 3.817 -3.771 -2.722 361 HZ3 LYS 55 2HZ LYS 55 4.903 -3.679 -1.429 362 H VAL 56 H VAL 56 3.378 0.820 -5.976 363 HA VAL 56 HA VAL 56 4.003 -1.756 -7.191 364 HB VAL 56 HB VAL 56 4.343 -0.829 -9.412 365 HG11 VAL 56 1HG1 VAL 56 2.165 -0.983 -10.076 366 HG12 VAL 56 2HG1 VAL 56 2.009 -1.599 -8.430 367 HG13 VAL 56 3HG1 VAL 56 1.582 0.074 -8.792 368 HG21 VAL 56 3HG2 VAL 56 3.224 1.508 -9.771 369 HG22 VAL 56 1HG2 VAL 56 3.590 1.721 -8.059 370 HG23 VAL 56 2HG2 VAL 56 4.891 1.399 -9.205 371 H CYS 57 H CYS 57 6.160 -1.483 -8.490 372 HA CYS 57 HA CYS 57 8.103 -0.545 -6.625 373 HB2 CYS 57 1HB CYS 57 8.409 -2.540 -8.100 374 HB3 CYS 57 2HB CYS 57 8.537 -1.451 -9.477 375 H GLN 58 H GLN 58 9.642 1.102 -6.893 376 HA GLN 58 HA GLN 58 8.790 3.238 -8.728 377 HB2 GLN 58 1HB GLN 58 10.328 3.425 -6.132 378 HB3 GLN 58 2HB GLN 58 9.924 4.788 -7.167 379 HG2 GLN 58 1HG GLN 58 7.788 3.001 -6.075 380 HG3 GLN 58 2HG GLN 58 8.463 4.312 -5.109 381 HE21 GLN 58 1HE2 GLN 58 6.532 3.474 -7.859 382 HE22 GLN 58 2HE2 GLN 58 5.897 5.053 -8.156 383 H ASN 59 H ASN 59 11.208 0.972 -8.168 384 HA ASN 59 HA ASN 59 13.379 2.537 -9.280 385 HB2 ASN 59 1HB ASN 59 13.435 0.550 -7.511 386 HB3 ASN 59 2HB ASN 59 13.577 -0.423 -8.973 387 HD21 ASN 59 1HD2 ASN 59 15.244 1.270 -6.666 388 HD22 ASN 59 2HD2 ASN 59 16.753 1.445 -7.489 389 H CYS 60 H CYS 60 11.094 0.094 -10.311 390 HA CYS 60 HA CYS 60 12.171 0.319 -13.046 391 HB2 CYS 60 1HB CYS 60 11.570 -1.966 -13.476 392 HB3 CYS 60 2HB CYS 60 12.525 -1.931 -11.997 393 H LYS 61 H LYS 61 9.448 0.508 -10.960 394 HA LYS 61 HA LYS 61 7.301 1.190 -11.278 395 HB2 LYS 61 1HB LYS 61 8.478 2.084 -13.909 396 HB3 LYS 61 2HB LYS 61 6.810 2.404 -13.452 397 HG2 LYS 61 1HG LYS 61 9.064 3.227 -11.667 398 HG3 LYS 61 2HG LYS 61 8.588 4.219 -13.047 399 HD2 LYS 61 1HD LYS 61 6.242 4.168 -12.137 400 HD3 LYS 61 2HD LYS 61 6.901 3.418 -10.682 401 HE2 LYS 61 1HE LYS 61 6.822 5.684 -10.146 402 HE3 LYS 61 2HE LYS 61 8.501 5.427 -10.618 403 HZ1 LYS 61 3HZ LYS 61 6.471 7.047 -11.864 404 HZ2 LYS 61 1HZ LYS 61 7.327 6.078 -12.956 405 HZ3 LYS 61 2HZ LYS 61 8.157 7.163 -11.957 406 H GLN 62 H GLN 62 7.474 -1.418 -11.444 407 HA GLN 62 HA GLN 62 5.536 -2.099 -13.506 408 HB2 GLN 62 1HB GLN 62 6.770 -3.639 -14.625 409 HB3 GLN 62 2HB GLN 62 8.106 -2.632 -14.082 410 HG2 GLN 62 1HG GLN 62 8.311 -4.144 -12.094 411 HG3 GLN 62 2HG GLN 62 7.139 -5.207 -12.871 412 HE21 GLN 62 1HE2 GLN 62 9.870 -5.783 -12.161 413 HE22 GLN 62 2HE2 GLN 62 10.690 -6.193 -13.625 414 H SER 63 H SER 63 3.966 -3.333 -12.699 415 HA SER 63 HA SER 63 4.352 -4.487 -10.035 416 HB2 SER 63 1HB SER 63 1.934 -4.529 -9.866 417 HB3 SER 63 2HB SER 63 2.436 -2.933 -10.424 418 HG SER 63 HG SER 63 1.574 -5.031 -12.129 419 H GLY 64 H GLY 64 4.589 -6.604 -9.761 420 HA2 GLY 64 1HA GLY 64 3.191 -8.543 -11.325 421 HA3 GLY 64 2HA GLY 64 4.884 -8.449 -11.786 422 H GLU 65 H GLU 65 6.459 -8.602 -9.920 423 HA GLU 65 HA GLU 65 5.781 -10.951 -8.388 424 HB2 GLU 65 1HB GLU 65 8.316 -9.312 -8.536 425 HB3 GLU 65 2HB GLU 65 8.149 -10.798 -7.611 426 HG2 GLU 65 1HG GLU 65 7.740 -10.599 -10.584 427 HG3 GLU 65 2HG GLU 65 9.249 -11.086 -9.813 428 H ASP 66 H ASP 66 4.493 -10.607 -6.678 429 HA ASP 66 HA ASP 66 4.743 -8.241 -5.042 430 HB2 ASP 66 1HB ASP 66 2.843 -9.097 -3.821 431 HB3 ASP 66 2HB ASP 66 2.540 -9.294 -5.545 432 H SER 67 H SER 67 5.178 -11.740 -4.558 433 HA SER 67 HA SER 67 5.985 -11.709 -1.911 434 HB2 SER 67 1HB SER 67 7.048 -13.860 -2.348 435 HB3 SER 67 2HB SER 67 5.517 -13.766 -3.218 436 HG SER 67 HG SER 67 6.899 -13.012 -5.040 437 H LYS 68 H LYS 68 7.950 -11.307 -4.833 438 HA LYS 68 HA LYS 68 10.366 -10.903 -3.297 439 HB2 LYS 68 1HB LYS 68 9.882 -10.525 -6.258 440 HB3 LYS 68 2HB LYS 68 11.449 -10.586 -5.461 441 HG2 LYS 68 1HG LYS 68 11.186 -12.886 -4.936 442 HG3 LYS 68 2HG LYS 68 9.490 -12.867 -5.425 443 HD2 LYS 68 1HD LYS 68 10.034 -12.688 -7.701 444 HD3 LYS 68 2HD LYS 68 11.695 -12.200 -7.353 445 HE2 LYS 68 1HE LYS 68 12.049 -14.382 -7.922 446 HE3 LYS 68 2HE LYS 68 11.770 -14.572 -6.191 447 HZ1 LYS 68 3HZ LYS 68 9.568 -14.791 -8.153 448 HZ2 LYS 68 1HZ LYS 68 9.612 -15.344 -6.555 449 HZ3 LYS 68 2HZ LYS 68 10.529 -16.122 -7.744 450 H MET 69 H MET 69 8.362 -9.076 -2.600 451 HA MET 69 HA MET 69 9.624 -6.567 -3.463 452 HB2 MET 69 1HB MET 69 7.471 -6.829 -4.643 453 HB3 MET 69 2HB MET 69 6.652 -6.983 -3.095 454 HG2 MET 69 1HG MET 69 6.280 -4.789 -3.419 455 HG3 MET 69 2HG MET 69 7.877 -4.651 -2.687 456 HE1 MET 69 3HE MET 69 5.570 -4.030 -5.236 457 HE2 MET 69 1HE MET 69 6.355 -2.465 -5.451 458 HE3 MET 69 2HE MET 69 6.391 -3.655 -6.752 459 H LEU 70 H LEU 70 9.957 -5.071 -1.879 460 HA LEU 70 HA LEU 70 9.231 -5.897 0.849 461 HB2 LEU 70 1HB LEU 70 11.514 -4.262 -0.220 462 HB3 LEU 70 2HB LEU 70 11.101 -4.301 1.493 463 HG LEU 70 HG LEU 70 11.831 -6.751 -0.105 464 HD11 LEU 70 1HD1 LEU 70 13.531 -4.827 1.439 465 HD12 LEU 70 2HD1 LEU 70 13.797 -5.507 -0.166 466 HD13 LEU 70 3HD1 LEU 70 13.991 -6.521 1.264 467 HD21 LEU 70 3HD2 LEU 70 10.476 -6.769 2.140 468 HD22 LEU 70 1HD2 LEU 70 12.061 -6.471 2.854 469 HD23 LEU 70 2HD2 LEU 70 11.793 -7.913 1.874 470 H VAL 71 H VAL 71 8.162 -4.530 2.197 471 HA VAL 71 HA VAL 71 7.241 -1.991 1.022 472 HB VAL 71 HB VAL 71 5.910 -3.684 3.141 473 HG11 VAL 71 1HG1 VAL 71 5.089 -1.646 3.701 474 HG12 VAL 71 2HG1 VAL 71 5.401 -0.958 2.106 475 HG13 VAL 71 3HG1 VAL 71 3.996 -1.994 2.362 476 HG21 VAL 71 3HG2 VAL 71 5.784 -3.679 0.234 477 HG22 VAL 71 1HG2 VAL 71 5.191 -4.870 1.391 478 HG23 VAL 71 2HG2 VAL 71 4.204 -3.466 0.987 479 H CYS 72 H CYS 72 8.084 -0.219 1.876 480 HA CYS 72 HA CYS 72 9.646 -0.241 4.248 481 HB2 CYS 72 1HB CYS 72 10.017 1.306 2.325 482 HB3 CYS 72 2HB CYS 72 8.538 2.152 2.768 483 H ASP 73 H ASP 73 9.073 0.059 6.300 484 HA ASP 73 HA ASP 73 6.291 0.476 6.951 485 HB2 ASP 73 1HB ASP 73 8.743 -0.328 8.431 486 HB3 ASP 73 2HB ASP 73 7.448 0.419 9.362 487 H THR 74 H THR 74 7.956 2.662 5.758 488 HA THR 74 HA THR 74 7.347 4.698 7.792 489 HB THR 74 HB THR 74 9.773 4.776 5.989 490 HG1 THR 74 HG1 THR 74 10.613 4.700 8.410 491 HG21 THR 74 3HG2 THR 74 10.126 6.878 6.689 492 HG22 THR 74 1HG2 THR 74 9.682 6.495 8.351 493 HG23 THR 74 2HG2 THR 74 8.429 6.862 7.166 494 H CYS 75 H CYS 75 8.213 4.254 4.360 495 HA CYS 75 HA CYS 75 6.404 6.472 3.689 496 HB2 CYS 75 1HB CYS 75 7.609 6.656 1.593 497 HB3 CYS 75 2HB CYS 75 8.759 6.670 2.926 498 H ASP 76 H ASP 76 6.962 3.076 3.274 499 HA ASP 76 HA ASP 76 5.593 1.422 2.497 500 HB2 ASP 76 1HB ASP 76 3.763 2.946 3.415 501 HB3 ASP 76 2HB ASP 76 3.563 3.529 1.765 502 H LYS 77 H LYS 77 7.570 2.427 0.872 503 HA LYS 77 HA LYS 77 6.350 2.596 -1.796 504 HB2 LYS 77 1HB LYS 77 9.059 3.369 -0.733 505 HB3 LYS 77 2HB LYS 77 8.759 3.208 -2.458 506 HG2 LYS 77 1HG LYS 77 6.838 4.850 -2.100 507 HG3 LYS 77 2HG LYS 77 7.577 5.175 -0.530 508 HD2 LYS 77 1HD LYS 77 9.194 5.303 -3.052 509 HD3 LYS 77 2HD LYS 77 8.211 6.675 -2.534 510 HE2 LYS 77 1HE LYS 77 9.401 6.435 -0.280 511 HE3 LYS 77 2HE LYS 77 10.546 5.403 -1.137 512 HZ1 LYS 77 3HZ LYS 77 9.950 8.257 -1.677 513 HZ2 LYS 77 1HZ LYS 77 10.876 7.286 -2.708 514 HZ3 LYS 77 2HZ LYS 77 11.409 7.596 -1.133 515 H GLY 78 H GLY 78 5.997 0.564 -2.507 516 HA2 GLY 78 1HA GLY 78 7.408 -1.735 -1.870 517 HA3 GLY 78 2HA GLY 78 6.486 -1.515 -3.350 518 H TYR 79 H TYR 79 9.238 -2.692 -2.531 519 HA TYR 79 HA TYR 79 10.594 -1.743 -4.929 520 HB2 TYR 79 1HB TYR 79 11.674 -1.473 -2.141 521 HB3 TYR 79 2HB TYR 79 12.771 -1.694 -3.499 522 HD1 TYR 79 HD2 TYR 79 12.099 -0.072 -5.586 523 HD2 TYR 79 HD1 TYR 79 11.353 0.702 -1.469 524 HE1 TYR 79 HE2 TYR 79 12.001 2.339 -6.063 525 HE2 TYR 79 HE1 TYR 79 11.252 3.115 -1.935 526 HH TYR 79 HH TYR 79 10.652 4.481 -4.439 527 H HIS 80 H HIS 80 10.964 -3.534 -6.043 528 HA HIS 80 HA HIS 80 10.920 -6.133 -5.031 529 HB2 HIS 80 1HB HIS 80 12.335 -5.193 -7.535 530 HB3 HIS 80 2HB HIS 80 11.786 -6.832 -7.193 531 HD2 HIS 80 HD2 HIS 80 8.709 -6.291 -6.386 532 HE1 HIS 80 HE1 HIS 80 8.472 -4.179 -10.057 533 HE2 HIS 80 HE2 HIS 80 7.171 -5.228 -8.173 534 H THR 81 H THR 81 12.433 -7.507 -4.252 535 HA THR 81 HA THR 81 14.650 -6.639 -2.907 536 HB THR 81 HB THR 81 15.519 -9.042 -3.180 537 HG1 THR 81 HG1 THR 81 13.769 -9.050 -5.128 538 HG21 THR 81 3HG2 THR 81 13.517 -9.947 -1.855 539 HG22 THR 81 1HG2 THR 81 12.834 -8.331 -2.033 540 HG23 THR 81 2HG2 THR 81 14.369 -8.552 -1.194 541 H PHE 82 H PHE 82 14.465 -7.718 -6.264 542 HA PHE 82 HA PHE 82 17.291 -7.539 -6.704 543 HB2 PHE 82 1HB PHE 82 16.525 -7.680 -9.165 544 HB3 PHE 82 2HB PHE 82 16.218 -9.065 -8.122 545 HD1 PHE 82 HD2 PHE 82 14.697 -6.206 -9.849 546 HD2 PHE 82 HD1 PHE 82 13.994 -9.712 -7.541 547 HE1 PHE 82 HE2 PHE 82 12.306 -6.096 -10.416 548 HE2 PHE 82 HE1 PHE 82 11.601 -9.608 -8.105 549 HZ PHE 82 HZ PHE 82 10.754 -7.797 -9.543 550 H CYS 83 H CYS 83 14.622 -5.354 -6.837 551 HA CYS 83 HA CYS 83 16.005 -3.405 -8.473 552 HB2 CYS 83 1HB CYS 83 13.322 -3.529 -7.137 553 HB3 CYS 83 2HB CYS 83 13.947 -1.987 -7.713 554 H LEU 84 H LEU 84 17.097 -4.297 -5.841 555 HA LEU 84 HA LEU 84 17.269 -1.643 -4.572 556 HB2 LEU 84 1HB LEU 84 17.336 -4.366 -3.286 557 HB3 LEU 84 2HB LEU 84 17.752 -2.871 -2.450 558 HG LEU 84 HG LEU 84 15.047 -3.474 -3.643 559 HD11 LEU 84 1HD1 LEU 84 14.350 -4.331 -1.680 560 HD12 LEU 84 2HD1 LEU 84 15.405 -3.290 -0.724 561 HD13 LEU 84 3HD1 LEU 84 16.056 -4.737 -1.494 562 HD21 LEU 84 3HD2 LEU 84 15.477 -1.109 -3.546 563 HD22 LEU 84 1HD2 LEU 84 16.054 -1.241 -1.885 564 HD23 LEU 84 2HD2 LEU 84 14.355 -1.540 -2.255 565 H GLN 85 H GLN 85 19.275 -0.887 -4.025 566 HA GLN 85 HA GLN 85 21.563 -2.568 -4.816 567 HB2 GLN 85 1HB GLN 85 21.307 0.436 -5.048 568 HB3 GLN 85 2HB GLN 85 22.724 -0.509 -5.485 569 HG2 GLN 85 1HG GLN 85 20.049 -0.978 -6.755 570 HG3 GLN 85 2HG GLN 85 21.180 0.231 -7.361 571 HE21 GLN 85 1HE2 GLN 85 20.574 -3.163 -6.912 572 HE22 GLN 85 2HE2 GLN 85 21.807 -3.732 -7.980 573 HA PRO 86 HA PRO 86 22.980 -3.633 -4.162 574 HB2 PRO 86 1HB PRO 86 23.274 -5.520 -2.233 575 HB3 PRO 86 2HB PRO 86 24.556 -4.383 -2.668 576 HG2 PRO 86 1HG PRO 86 22.628 -4.279 -0.381 577 HG3 PRO 86 2HG PRO 86 24.366 -3.929 -0.395 578 HD2 PRO 86 1HD PRO 86 22.488 -1.980 -0.444 579 HD3 PRO 86 2HD PRO 86 24.061 -1.811 -1.250 580 H VAL 87 H VAL 87 22.020 -5.877 -4.360 581 HA VAL 87 HA VAL 87 19.153 -5.667 -4.161 582 HB VAL 87 HB VAL 87 21.041 -7.613 -5.418 583 HG11 VAL 87 1HG1 VAL 87 18.102 -8.136 -4.981 584 HG12 VAL 87 2HG1 VAL 87 19.190 -9.106 -5.975 585 HG13 VAL 87 3HG1 VAL 87 19.432 -9.017 -4.230 586 HG21 VAL 87 3HG2 VAL 87 20.520 -6.042 -6.982 587 HG22 VAL 87 1HG2 VAL 87 19.168 -7.142 -7.248 588 HG23 VAL 87 2HG2 VAL 87 18.946 -5.692 -6.269 589 H MET 88 H MET 88 17.768 -7.066 -3.047 590 HA MET 88 HA MET 88 18.896 -8.132 -0.591 591 HB2 MET 88 1HB MET 88 16.120 -7.543 -1.558 592 HB3 MET 88 2HB MET 88 16.362 -8.591 -0.167 593 HG2 MET 88 1HG MET 88 17.453 -5.798 -0.384 594 HG3 MET 88 2HG MET 88 15.927 -6.212 0.393 595 HE1 MET 88 3HE MET 88 16.401 -5.395 2.860 596 HE2 MET 88 1HE MET 88 15.634 -6.972 2.678 597 HE3 MET 88 2HE MET 88 16.901 -6.743 3.882 598 H LYS 89 H LYS 89 18.653 -10.265 0.116 599 HA LYS 89 HA LYS 89 18.301 -12.205 -2.057 600 HB2 LYS 89 1HB LYS 89 19.639 -12.486 0.639 601 HB3 LYS 89 2HB LYS 89 19.499 -13.775 -0.549 602 HG2 LYS 89 1HG LYS 89 20.857 -11.166 -1.152 603 HG3 LYS 89 2HG LYS 89 21.706 -12.548 -0.457 604 HD2 LYS 89 1HD LYS 89 21.524 -13.796 -2.376 605 HD3 LYS 89 2HD LYS 89 20.060 -12.965 -2.906 606 HE2 LYS 89 1HE LYS 89 21.611 -12.127 -4.384 607 HE3 LYS 89 2HE LYS 89 21.657 -10.907 -3.113 608 HZ1 LYS 89 3HZ LYS 89 23.559 -12.269 -2.165 609 HZ2 LYS 89 1HZ LYS 89 23.878 -11.388 -3.573 610 HZ3 LYS 89 2HZ LYS 89 23.612 -13.056 -3.662 611 H SER 90 H SER 90 17.319 -11.542 1.278 612 HA SER 90 HA SER 90 14.988 -13.283 0.850 613 HB2 SER 90 1HB SER 90 15.161 -13.918 3.290 614 HB3 SER 90 2HB SER 90 16.437 -14.569 2.262 615 HG SER 90 HG SER 90 16.871 -13.340 4.420 616 H VAL 91 H VAL 91 13.292 -12.857 2.614 617 HA VAL 91 HA VAL 91 12.923 -9.960 2.765 618 HB VAL 91 HB VAL 91 10.960 -12.199 3.280 619 HG11 VAL 91 1HG1 VAL 91 10.334 -10.289 4.582 620 HG12 VAL 91 2HG1 VAL 91 10.594 -9.208 3.212 621 HG13 VAL 91 3HG1 VAL 91 9.268 -10.372 3.180 622 HG21 VAL 91 3HG2 VAL 91 11.898 -10.975 0.862 623 HG22 VAL 91 1HG2 VAL 91 10.747 -12.294 1.071 624 HG23 VAL 91 2HG2 VAL 91 10.185 -10.622 1.088 625 HA PRO 92 HA PRO 92 14.055 -10.055 7.065 626 HB2 PRO 92 1HB PRO 92 13.476 -7.452 7.575 627 HB3 PRO 92 2HB PRO 92 14.934 -7.962 6.715 628 HG2 PRO 92 1HG PRO 92 12.354 -6.918 5.614 629 HG3 PRO 92 2HG PRO 92 14.015 -6.523 5.137 630 HD2 PRO 92 1HD PRO 92 12.471 -8.255 3.741 631 HD3 PRO 92 2HD PRO 92 14.234 -8.428 3.858 632 H THR 93 H THR 93 13.029 -9.660 9.142 633 HA THR 93 HA THR 93 10.085 -9.671 8.984 634 HB THR 93 HB THR 93 11.741 -11.158 11.029 635 HG1 THR 93 HG1 THR 93 11.377 -12.973 9.815 636 HG21 THR 93 3HG2 THR 93 8.850 -11.615 10.371 637 HG22 THR 93 1HG2 THR 93 9.331 -10.371 11.525 638 HG23 THR 93 2HG2 THR 93 9.741 -12.059 11.826 639 H ASN 94 H ASN 94 12.867 -8.963 11.079 640 HA ASN 94 HA ASN 94 11.618 -7.714 13.179 641 HB2 ASN 94 1HB ASN 94 14.160 -6.630 11.976 642 HB3 ASN 94 2HB ASN 94 13.686 -6.666 13.671 643 HD21 ASN 94 1HD2 ASN 94 13.271 -8.947 14.509 644 HD22 ASN 94 2HD2 ASN 94 14.443 -10.137 14.067 645 H GLY 95 H GLY 95 12.753 -6.156 10.179 646 HA2 GLY 95 1HA GLY 95 10.608 -4.531 9.700 647 HA3 GLY 95 2HA GLY 95 11.564 -3.635 10.871 648 H TRP 96 H TRP 96 10.934 -3.746 7.734 649 HA TRP 96 HA TRP 96 13.699 -3.295 6.854 650 HB2 TRP 96 1HB TRP 96 12.346 -4.926 5.567 651 HB3 TRP 96 2HB TRP 96 11.199 -3.645 5.185 652 HD1 TRP 96 HD1 TRP 96 14.879 -4.611 4.508 653 HE1 TRP 96 HE1 TRP 96 15.592 -3.532 2.283 654 HE3 TRP 96 HE3 TRP 96 10.665 -1.882 3.542 655 HZ2 TRP 96 HZ2 TRP 96 14.511 -1.760 0.370 656 HZ3 TRP 96 HZ3 TRP 96 10.585 -0.522 1.493 657 HH2 TRP 96 HH2 TRP 96 12.470 -0.462 -0.058 658 H LYS 97 H LYS 97 14.297 -1.406 5.780 659 HA LYS 97 HA LYS 97 12.352 0.763 5.609 660 HB2 LYS 97 1HB LYS 97 13.629 0.731 7.876 661 HB3 LYS 97 2HB LYS 97 14.993 1.308 6.927 662 HG2 LYS 97 1HG LYS 97 13.302 3.104 6.095 663 HG3 LYS 97 2HG LYS 97 12.414 2.665 7.556 664 HD2 LYS 97 1HD LYS 97 15.315 3.164 7.863 665 HD3 LYS 97 2HD LYS 97 14.305 4.566 7.502 666 HE2 LYS 97 1HE LYS 97 14.432 4.404 9.865 667 HE3 LYS 97 2HE LYS 97 12.822 3.851 9.405 668 HZ1 LYS 97 3HZ LYS 97 13.604 1.565 9.596 669 HZ2 LYS 97 1HZ LYS 97 13.794 2.397 11.057 670 HZ3 LYS 97 2HZ LYS 97 15.135 2.109 10.067 671 H CYS 98 H CYS 98 12.626 1.942 3.820 672 HA CYS 98 HA CYS 98 14.746 1.285 2.003 673 HB2 CYS 98 1HB CYS 98 13.566 2.497 0.404 674 HB3 CYS 98 2HB CYS 98 12.284 1.939 1.474 675 H LYS 99 H LYS 99 16.436 2.557 1.313 676 HA LYS 99 HA LYS 99 17.870 4.060 3.045 677 HB2 LYS 99 1HB LYS 99 18.780 3.357 0.912 678 HB3 LYS 99 2HB LYS 99 17.685 4.431 0.051 679 HG2 LYS 99 1HG LYS 99 18.810 6.362 0.877 680 HG3 LYS 99 2HG LYS 99 19.782 5.390 1.983 681 HD2 LYS 99 1HD LYS 99 19.897 4.824 -0.946 682 HD3 LYS 99 2HD LYS 99 20.777 6.212 -0.300 683 HE2 LYS 99 1HE LYS 99 21.042 3.417 0.791 684 HE3 LYS 99 2HE LYS 99 22.093 4.074 -0.462 685 HZ1 LYS 99 3HZ LYS 99 21.773 5.110 2.302 686 HZ2 LYS 99 1HZ LYS 99 22.691 5.865 1.098 687 HZ3 LYS 99 2HZ LYS 99 23.134 4.334 1.664 688 H ASN 100 H ASN 100 15.817 5.522 0.515 689 HA ASN 100 HA ASN 100 15.964 8.136 1.021 690 HB2 ASN 100 1HB ASN 100 14.300 6.798 -0.486 691 HB3 ASN 100 2HB ASN 100 13.202 6.973 0.880 692 HD21 ASN 100 1HD2 ASN 100 11.803 8.505 0.423 693 HD22 ASN 100 2HD2 ASN 100 12.173 10.051 -0.255 694 H CYS 101 H CYS 101 14.331 5.804 3.086 695 HA CYS 101 HA CYS 101 13.457 7.881 4.924 696 HB2 CYS 101 1HB CYS 101 13.087 4.891 4.839 697 HB3 CYS 101 2HB CYS 101 12.606 5.852 6.234 698 H ARG 102 H ARG 102 15.721 5.160 4.850 699 HA ARG 102 HA ARG 102 16.617 5.143 7.446 700 HB2 ARG 102 1HB ARG 102 18.409 4.855 5.031 701 HB3 ARG 102 2HB ARG 102 18.666 4.171 6.630 702 HG2 ARG 102 1HG ARG 102 16.426 2.948 6.204 703 HG3 ARG 102 2HG ARG 102 16.734 3.339 4.511 704 HD2 ARG 102 1HD ARG 102 17.617 1.162 4.927 705 HD3 ARG 102 2HD ARG 102 18.978 2.270 4.754 706 HE ARG 102 HE ARG 102 18.686 2.262 7.389 707 HH11 ARG 102 2HH1 ARG 102 18.653 -0.379 5.121 708 HH12 ARG 102 1HH1 ARG 102 19.283 -1.530 6.253 709 HH21 ARG 102 2HH2 ARG 102 19.516 0.757 8.888 710 HH22 ARG 102 1HH2 ARG 102 19.772 -0.883 8.395 711 H ILE 103 H ILE 103 17.470 7.374 4.861 712 HA ILE 103 HA ILE 103 19.652 8.685 5.605 713 HB ILE 103 HB ILE 103 17.048 10.090 5.000 714 HG12 ILE 103 1HG1 ILE 103 17.531 8.570 3.223 715 HG13 ILE 103 2HG1 ILE 103 18.033 10.165 2.671 716 HG21 ILE 103 1HG2 ILE 103 18.200 12.040 4.636 717 HG22 ILE 103 2HG2 ILE 103 19.114 11.366 5.984 718 HG23 ILE 103 3HG2 ILE 103 19.727 11.211 4.338 719 HD11 ILE 103 3HD1 ILE 103 20.359 9.586 3.296 720 HD12 ILE 103 1HD1 ILE 103 19.806 7.956 3.678 721 HD13 ILE 103 2HD1 ILE 103 19.683 8.565 2.027 722 H CYS 104 H CYS 104 20.483 9.456 7.421 723 HA CYS 104 HA CYS 104 18.880 9.763 9.780 724 HB2 CYS 104 1HB CYS 104 21.260 8.908 9.729 725 HB3 CYS 104 2HB CYS 104 21.770 10.563 9.419 726 HG CYS 104 HG CYS 104 19.782 10.371 12.071 727 H ILE 105 H ILE 105 17.490 11.456 9.660 728 HA ILE 105 HA ILE 105 18.667 14.116 9.178 729 HB ILE 105 HB ILE 105 17.022 13.532 7.465 730 HG12 ILE 105 1HG1 ILE 105 15.651 15.541 9.221 731 HG13 ILE 105 2HG1 ILE 105 17.254 15.886 8.583 732 HG21 ILE 105 1HG2 ILE 105 15.709 11.971 8.881 733 HG22 ILE 105 2HG2 ILE 105 15.010 13.366 9.702 734 HG23 ILE 105 3HG2 ILE 105 14.713 13.115 7.982 735 HD11 ILE 105 3HD1 ILE 105 15.243 16.744 7.282 736 HD12 ILE 105 1HD1 ILE 105 16.497 15.896 6.378 737 HD13 ILE 105 2HD1 ILE 105 14.997 15.067 6.795 738 H SER 106 H SER 106 18.018 15.834 10.509 739 HA SER 106 HA SER 106 17.944 15.525 13.173 740 HB2 SER 106 1HB SER 106 17.845 17.693 11.691 741 HB3 SER 106 2HB SER 106 16.118 17.615 12.040 742 HG SER 106 HG SER 106 16.640 17.642 14.260 743 H GLY 107 H GLY 107 15.052 15.570 11.105 744 HA2 GLY 107 1HA GLY 107 12.893 14.892 11.503 745 HA3 GLY 107 2HA GLY 107 13.637 13.629 12.473 746 HA PRO 108 HA PRO 108 11.071 16.622 15.092 747 HB2 PRO 108 1HB PRO 108 9.098 14.883 15.766 748 HB3 PRO 108 2HB PRO 108 9.017 15.920 14.337 749 HG2 PRO 108 1HG PRO 108 9.782 13.033 14.541 750 HG3 PRO 108 2HG PRO 108 8.753 13.836 13.341 751 HD2 PRO 108 1HD PRO 108 11.340 13.200 12.851 752 HD3 PRO 108 2HD PRO 108 10.555 14.625 12.139 753 H SER 109 H SER 109 11.765 16.779 17.124 754 HA SER 109 HA SER 109 13.313 14.838 18.402 755 HB2 SER 109 1HB SER 109 11.936 17.336 19.334 756 HB3 SER 109 2HB SER 109 12.717 16.276 20.506 757 HG SER 109 HG SER 109 14.330 16.700 18.389 758 H SER 110 H SER 110 10.001 15.876 19.235 759 HA SER 110 HA SER 110 9.648 13.413 20.769 760 HB2 SER 110 1HB SER 110 8.958 15.384 21.946 761 HB3 SER 110 2HB SER 110 8.007 15.945 20.571 762 HG SER 110 HG SER 110 6.410 14.800 21.289 763 H GLY 111 H GLY 111 7.850 12.026 20.446 764 HA2 GLY 111 1HA GLY 111 7.113 11.795 17.642 765 HA3 GLY 111 2HA GLY 111 6.814 10.607 18.902
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