NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
647175 | 6yi3 | 34511 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 15.178 -4.608 2.105 2 H2 GLY 1 2H GLY 1 14.290 -3.319 1.582 3 H3 GLY 1 3H GLY 1 14.451 -3.607 3.197 4 HA2 GLY 1 1HA GLY 1 16.804 -3.166 3.105 5 HA3 GLY 1 2HA GLY 1 16.627 -2.857 1.366 6 H ALA 2 H ALA 2 17.702 -0.748 2.369 7 HA ALA 2 HA ALA 2 15.794 1.076 3.616 8 HB1 ALA 2 1HB ALA 2 18.259 1.265 3.996 9 HB2 ALA 2 2HB ALA 2 17.593 2.749 3.276 10 HB3 ALA 2 3HB ALA 2 18.491 1.597 2.260 11 H MET 3 H MET 3 15.122 3.111 2.490 12 HA MET 3 HA MET 3 14.948 2.867 -0.464 13 HB2 MET 3 1HB MET 3 12.686 3.556 1.463 14 HB3 MET 3 2HB MET 3 12.609 3.734 -0.295 15 HG2 MET 3 1HG MET 3 12.938 1.294 -0.551 16 HG3 MET 3 2HG MET 3 12.963 1.117 1.211 17 HE1 MET 3 1HE MET 3 10.895 1.120 2.752 18 HE2 MET 3 2HE MET 3 9.292 1.737 2.289 19 HE3 MET 3 3HE MET 3 10.667 2.856 2.425 20 H GLY 4 H GLY 4 15.542 4.743 -1.362 21 HA2 GLY 4 1HA GLY 4 15.408 7.254 0.194 22 HA3 GLY 4 2HA GLY 4 17.011 6.677 -0.291 23 H LEU 5 H LEU 5 13.843 6.723 -1.973 24 HA LEU 5 HA LEU 5 15.007 7.428 -4.491 25 HB2 LEU 5 1HB LEU 5 12.197 7.456 -3.364 26 HB3 LEU 5 2HB LEU 5 12.535 8.170 -4.934 27 HG LEU 5 HG LEU 5 13.413 5.972 -5.728 28 HD11 LEU 5 1HD1 LEU 5 12.716 3.918 -4.483 29 HD12 LEU 5 2HD1 LEU 5 12.281 4.935 -3.090 30 HD13 LEU 5 3HD1 LEU 5 13.974 4.838 -3.642 31 HD21 LEU 5 1HD2 LEU 5 11.172 4.990 -6.011 32 HD22 LEU 5 2HD2 LEU 5 11.132 6.752 -6.207 33 HD23 LEU 5 3HD2 LEU 5 10.549 6.014 -4.696 34 HA PRO 6 HA PRO 6 15.584 11.733 -3.713 35 HB2 PRO 6 1HB PRO 6 15.944 12.723 -6.210 36 HB3 PRO 6 2HB PRO 6 17.056 11.504 -5.521 37 HG2 PRO 6 1HG PRO 6 14.688 11.074 -7.329 38 HG3 PRO 6 2HG PRO 6 16.381 10.523 -7.544 39 HD2 PRO 6 1HD PRO 6 14.465 8.918 -6.477 40 HD3 PRO 6 2HD PRO 6 16.173 8.859 -5.917 41 H ASN 7 H ASN 7 12.892 11.229 -3.307 42 HA ASN 7 HA ASN 7 11.591 13.552 -4.679 43 HB2 ASN 7 1HB ASN 7 10.756 11.243 -5.383 44 HB3 ASN 7 2HB ASN 7 10.154 11.046 -3.732 45 HD21 ASN 7 1HD2 ASN 7 8.465 13.995 -6.056 46 HD22 ASN 7 2HD2 ASN 7 10.176 13.665 -6.176 47 H ASN 8 H ASN 8 12.087 14.998 -3.056 48 HA ASN 8 HA ASN 8 11.767 14.364 -0.258 49 HB2 ASN 8 1HB ASN 8 13.318 16.100 -1.270 50 HB3 ASN 8 2HB ASN 8 11.907 17.134 -1.517 51 HD21 ASN 8 1HD2 ASN 8 13.774 17.117 1.985 52 HD22 ASN 8 2HD2 ASN 8 14.419 16.470 0.499 53 H THR 9 H THR 9 9.928 16.548 -2.405 54 HA THR 9 HA THR 9 7.913 17.597 -2.100 55 HB THR 9 HB THR 9 6.026 15.927 -1.991 56 HG1 THR 9 HG1 THR 9 7.498 14.355 -0.881 57 HG21 THR 9 1HG2 THR 9 6.543 15.010 -4.229 58 HG22 THR 9 2HG2 THR 9 8.237 15.499 -4.038 59 HG23 THR 9 3HG2 THR 9 6.957 16.736 -4.123 60 H ALA 10 H ALA 10 8.362 18.691 -0.109 61 HA ALA 10 HA ALA 10 7.120 17.513 2.288 62 HB1 ALA 10 1HB ALA 10 8.741 20.060 1.929 63 HB2 ALA 10 2HB ALA 10 9.387 18.481 2.441 64 HB3 ALA 10 3HB ALA 10 8.223 19.342 3.477 65 H SER 11 H SER 11 5.388 18.321 3.281 66 HA SER 11 HA SER 11 3.414 19.815 1.888 67 HB2 SER 11 1HB SER 11 2.425 20.070 4.223 68 HB3 SER 11 2HB SER 11 2.768 18.408 3.716 69 HG SER 11 HG SER 11 4.234 20.046 5.497 70 H TRP 12 H TRP 12 2.818 21.966 1.939 71 HA TRP 12 HA TRP 12 4.896 23.866 2.404 72 HB2 TRP 12 1HB TRP 12 2.145 23.927 1.383 73 HB3 TRP 12 2HB TRP 12 2.660 25.408 2.207 74 HD1 TRP 12 HD1 TRP 12 3.027 23.626 -1.034 75 HE1 TRP 12 HE1 TRP 12 4.683 24.747 -2.580 76 HE3 TRP 12 HE3 TRP 12 5.103 26.799 2.389 77 HZ2 TRP 12 HZ2 TRP 12 6.694 26.752 -2.372 78 HZ3 TRP 12 HZ3 TRP 12 6.970 28.305 1.643 79 HH2 TRP 12 HH2 TRP 12 7.738 28.278 -0.728 80 H PHE 13 H PHE 13 2.554 22.606 4.571 81 HA PHE 13 HA PHE 13 2.901 24.997 6.301 82 HB2 PHE 13 1HB PHE 13 0.537 23.113 6.171 83 HB3 PHE 13 2HB PHE 13 0.651 24.616 7.095 84 HD1 PHE 13 HD1 PHE 13 0.628 26.806 5.933 85 HD2 PHE 13 HD2 PHE 13 0.033 23.108 3.824 86 HE1 PHE 13 HE1 PHE 13 -0.247 28.064 3.973 87 HE2 PHE 13 HE2 PHE 13 -0.864 24.353 1.879 88 HZ PHE 13 HZ PHE 13 -0.993 26.825 1.930 89 H THR 14 H THR 14 2.546 24.709 8.550 90 HA THR 14 HA THR 14 4.093 22.527 9.654 91 HB THR 14 HB THR 14 3.439 23.530 11.832 92 HG1 THR 14 HG1 THR 14 2.012 25.199 11.919 93 HG21 THR 14 1HG2 THR 14 5.342 24.515 10.630 94 HG22 THR 14 2HG2 THR 14 4.441 25.745 11.541 95 HG23 THR 14 3HG2 THR 14 4.239 25.623 9.783 96 H ALA 15 H ALA 15 3.120 21.248 11.568 97 HA ALA 15 HA ALA 15 0.950 19.752 10.372 98 HB1 ALA 15 1HB ALA 15 1.498 18.104 11.872 99 HB2 ALA 15 2HB ALA 15 1.959 19.257 13.150 100 HB3 ALA 15 3HB ALA 15 3.037 18.982 11.770 101 H LEU 16 H LEU 16 -1.048 19.314 11.115 102 HA LEU 16 HA LEU 16 -2.163 21.035 13.292 103 HB2 LEU 16 1HB LEU 16 -3.333 19.067 11.291 104 HB3 LEU 16 2HB LEU 16 -4.207 19.545 12.729 105 HG LEU 16 HG LEU 16 -3.404 21.364 10.486 106 HD11 LEU 16 1HD1 LEU 16 -5.825 21.495 10.097 107 HD12 LEU 16 2HD1 LEU 16 -6.123 20.410 11.477 108 HD13 LEU 16 3HD1 LEU 16 -5.290 19.804 10.028 109 HD21 LEU 16 1HD2 LEU 16 -4.817 23.032 11.736 110 HD22 LEU 16 2HD2 LEU 16 -3.276 22.636 12.504 111 HD23 LEU 16 3HD2 LEU 16 -4.787 21.926 13.126 112 H THR 17 H THR 17 -2.727 20.039 15.267 113 HA THR 17 HA THR 17 -1.766 17.208 15.546 114 HB THR 17 HB THR 17 -1.491 19.458 17.577 115 HG1 THR 17 HG1 THR 17 -0.097 19.650 15.744 116 HG21 THR 17 1HG2 THR 17 0.058 17.815 18.658 117 HG22 THR 17 2HG2 THR 17 -0.518 16.583 17.510 118 HG23 THR 17 3HG2 THR 17 -1.650 17.325 18.675 119 H GLN 18 H GLN 18 -3.138 15.837 16.479 120 HA GLN 18 HA GLN 18 -5.790 16.898 17.277 121 HB2 GLN 18 1HB GLN 18 -5.687 15.095 15.615 122 HB3 GLN 18 2HB GLN 18 -4.741 14.104 16.704 123 HG2 GLN 18 1HG GLN 18 -7.024 13.287 16.625 124 HG3 GLN 18 2HG GLN 18 -6.672 13.892 18.239 125 HE21 GLN 18 1HE2 GLN 18 -9.906 15.171 16.364 126 HE22 GLN 18 2HE2 GLN 18 -8.992 13.720 15.988 127 H HIS 19 H HIS 19 -6.651 16.771 19.243 128 HA HIS 19 HA HIS 19 -5.468 14.882 21.229 129 HB2 HIS 19 1HB HIS 19 -4.623 17.152 21.784 130 HB3 HIS 19 2HB HIS 19 -6.277 17.772 21.762 131 HD1 HIS 19 HD1 HIS 19 -3.921 15.684 23.862 132 HD2 HIS 19 HD2 HIS 19 -7.819 17.149 23.995 133 HE1 HIS 19 HE1 HIS 19 -4.757 15.336 26.226 134 H GLY 20 H GLY 20 -7.162 13.428 21.030 135 HA2 GLY 20 1HA GLY 20 -9.635 13.831 22.224 136 HA3 GLY 20 2HA GLY 20 -9.859 14.318 20.530 137 H LYS 21 H LYS 21 -11.361 12.473 20.415 138 HA LYS 21 HA LYS 21 -9.969 9.833 20.272 139 HB2 LYS 21 1HB LYS 21 -12.903 10.583 20.486 140 HB3 LYS 21 2HB LYS 21 -12.337 8.944 20.172 141 HG2 LYS 21 1HG LYS 21 -11.638 10.563 22.655 142 HG3 LYS 21 2HG LYS 21 -12.915 9.338 22.559 143 HD2 LYS 21 1HD LYS 21 -11.185 7.642 21.910 144 HD3 LYS 21 2HD LYS 21 -9.929 8.872 22.166 145 HE2 LYS 21 1HE LYS 21 -10.659 9.116 24.522 146 HE3 LYS 21 2HE LYS 21 -11.882 7.851 24.263 147 HZ1 LYS 21 1HZ LYS 21 -9.861 6.949 25.246 148 HZ2 LYS 21 2HZ LYS 21 -8.950 7.484 23.979 149 HZ3 LYS 21 3HZ LYS 21 -10.084 6.311 23.741 150 H GLU 22 H GLU 22 -11.548 12.236 18.327 151 HA GLU 22 HA GLU 22 -11.983 10.525 16.014 152 HB2 GLU 22 1HB GLU 22 -11.938 13.509 16.534 153 HB3 GLU 22 2HB GLU 22 -11.981 12.896 14.885 154 HG2 GLU 22 1HG GLU 22 -14.019 12.305 17.030 155 HG3 GLU 22 2HG GLU 22 -14.203 13.449 15.687 156 H ASP 23 H ASP 23 -10.831 11.049 13.925 157 HA ASP 23 HA ASP 23 -7.913 11.206 14.523 158 HB2 ASP 23 1HB ASP 23 -9.260 9.451 12.933 159 HB3 ASP 23 2HB ASP 23 -8.845 10.668 11.737 160 H LEU 24 H LEU 24 -10.069 12.368 11.916 161 HA LEU 24 HA LEU 24 -9.908 15.129 12.327 162 HB2 LEU 24 1HB LEU 24 -7.504 15.048 11.703 163 HB3 LEU 24 2HB LEU 24 -7.903 14.159 10.247 164 HG LEU 24 HG LEU 24 -9.057 16.111 9.326 165 HD11 LEU 24 1HD1 LEU 24 -8.990 18.315 10.330 166 HD12 LEU 24 2HD1 LEU 24 -8.112 17.697 11.744 167 HD13 LEU 24 3HD1 LEU 24 -9.795 17.214 11.458 168 HD21 LEU 24 1HD2 LEU 24 -7.092 17.532 8.969 169 HD22 LEU 24 2HD2 LEU 24 -6.680 15.808 8.891 170 HD23 LEU 24 3HD2 LEU 24 -6.277 16.750 10.346 171 H LYS 25 H LYS 25 -11.549 15.957 11.049 172 HA LYS 25 HA LYS 25 -11.866 14.941 8.343 173 HB2 LYS 25 1HB LYS 25 -13.237 13.335 9.733 174 HB3 LYS 25 2HB LYS 25 -14.196 14.707 10.297 175 HG2 LYS 25 1HG LYS 25 -15.394 13.562 8.520 176 HG3 LYS 25 2HG LYS 25 -14.891 15.156 7.938 177 HD2 LYS 25 1HD LYS 25 -12.928 14.084 6.799 178 HD3 LYS 25 2HD LYS 25 -13.525 12.499 7.327 179 HE2 LYS 25 1HE LYS 25 -15.606 12.864 6.060 180 HE3 LYS 25 2HE LYS 25 -15.037 14.481 5.578 181 HZ1 LYS 25 1HZ LYS 25 -13.675 11.934 4.898 182 HZ2 LYS 25 2HZ LYS 25 -13.201 13.441 4.420 183 HZ3 LYS 25 3HZ LYS 25 -14.618 12.809 3.864 184 H PHE 26 H PHE 26 -12.709 16.513 7.045 185 HA PHE 26 HA PHE 26 -13.687 18.978 8.412 186 HB2 PHE 26 1HB PHE 26 -11.950 18.576 5.973 187 HB3 PHE 26 2HB PHE 26 -12.934 20.030 6.147 188 HD1 PHE 26 HD1 PHE 26 -12.753 20.908 8.837 189 HD2 PHE 26 HD2 PHE 26 -9.660 19.059 6.455 190 HE1 PHE 26 HE1 PHE 26 -11.022 22.020 10.222 191 HE2 PHE 26 HE2 PHE 26 -7.942 20.140 7.880 192 HZ PHE 26 HZ PHE 26 -8.608 21.643 9.741 193 HA PRO 27 HA PRO 27 -17.475 18.245 6.142 194 HB2 PRO 27 1HB PRO 27 -18.437 20.834 6.052 195 HB3 PRO 27 2HB PRO 27 -18.458 19.820 7.530 196 HG2 PRO 27 1HG PRO 27 -16.450 21.877 6.699 197 HG3 PRO 27 2HG PRO 27 -17.313 21.710 8.249 198 HD2 PRO 27 1HD PRO 27 -14.841 20.775 7.975 199 HD3 PRO 27 2HD PRO 27 -16.068 19.827 8.869 200 H ARG 28 H ARG 28 -18.649 18.919 4.178 201 HA ARG 28 HA ARG 28 -16.933 18.957 1.902 202 HB2 ARG 28 1HB ARG 28 -19.154 17.948 1.861 203 HB3 ARG 28 2HB ARG 28 -19.902 19.491 2.265 204 HG2 ARG 28 1HG ARG 28 -20.354 19.146 -0.026 205 HG3 ARG 28 2HG ARG 28 -19.097 20.382 0.026 206 HD2 ARG 28 1HD ARG 28 -17.389 18.625 -0.442 207 HD3 ARG 28 2HD ARG 28 -18.686 17.423 -0.562 208 HE ARG 28 HE ARG 28 -17.993 19.526 -2.502 209 HH11 ARG 28 1HH1 ARG 28 -20.441 17.142 -1.581 210 HH12 ARG 28 2HH1 ARG 28 -21.164 17.147 -3.166 211 HH21 ARG 28 1HH2 ARG 28 -18.987 19.485 -4.483 212 HH22 ARG 28 2HH2 ARG 28 -20.355 18.447 -4.773 213 H GLY 29 H GLY 29 -16.112 20.525 0.668 214 HA2 GLY 29 1HA GLY 29 -15.909 22.587 -0.371 215 HA3 GLY 29 2HA GLY 29 -17.399 23.112 0.430 216 H GLN 30 H GLN 30 -14.987 21.791 2.510 217 HA GLN 30 HA GLN 30 -13.917 24.441 3.224 218 HB2 GLN 30 1HB GLN 30 -16.159 24.056 4.329 219 HB3 GLN 30 2HB GLN 30 -15.498 22.607 5.067 220 HG2 GLN 30 1HG GLN 30 -13.910 24.999 5.579 221 HG3 GLN 30 2HG GLN 30 -15.574 25.123 6.154 222 HE21 GLN 30 1HE2 GLN 30 -14.710 23.452 9.079 223 HE22 GLN 30 2HE2 GLN 30 -15.375 24.872 8.313 224 H GLY 31 H GLY 31 -12.219 24.098 4.970 225 HA2 GLY 31 1HA GLY 31 -10.999 22.513 6.328 226 HA3 GLY 31 2HA GLY 31 -11.209 21.301 5.062 227 H VAL 32 H VAL 32 -10.623 23.464 3.020 228 HA VAL 32 HA VAL 32 -7.826 22.912 2.802 229 HB VAL 32 HB VAL 32 -9.530 25.071 1.437 230 HG11 VAL 32 1HG1 VAL 32 -7.753 25.020 -0.268 231 HG12 VAL 32 2HG1 VAL 32 -6.778 24.016 0.808 232 HG13 VAL 32 3HG1 VAL 32 -7.235 25.674 1.277 233 HG21 VAL 32 1HG2 VAL 32 -9.582 23.511 -0.470 234 HG22 VAL 32 2HG2 VAL 32 -10.341 22.792 0.964 235 HG23 VAL 32 3HG2 VAL 32 -8.696 22.304 0.482 236 HA PRO 33 HA PRO 33 -6.639 26.133 5.645 237 HB2 PRO 33 1HB PRO 33 -3.937 25.862 5.465 238 HB3 PRO 33 2HB PRO 33 -4.968 24.639 6.270 239 HG2 PRO 33 1HG PRO 33 -3.837 24.634 3.515 240 HG3 PRO 33 2HG PRO 33 -3.862 23.338 4.738 241 HD2 PRO 33 1HD PRO 33 -5.622 23.434 2.719 242 HD3 PRO 33 2HD PRO 33 -6.021 22.757 4.329 243 H ILE 34 H ILE 34 -5.212 28.137 5.567 244 HA ILE 34 HA ILE 34 -5.749 29.534 3.100 245 HB ILE 34 HB ILE 34 -3.993 30.305 5.456 246 HG12 ILE 34 1HG1 ILE 34 -6.792 31.159 4.695 247 HG13 ILE 34 2HG1 ILE 34 -6.409 29.948 5.923 248 HG21 ILE 34 1HG2 ILE 34 -3.393 31.541 3.330 249 HG22 ILE 34 2HG2 ILE 34 -4.050 32.597 4.579 250 HG23 ILE 34 3HG2 ILE 34 -5.081 32.089 3.218 251 HD11 ILE 34 1HD1 ILE 34 -5.061 31.686 7.113 252 HD12 ILE 34 2HD1 ILE 34 -6.805 31.966 7.072 253 HD13 ILE 34 3HD1 ILE 34 -5.748 32.878 5.982 254 H ASN 35 H ASN 35 -4.778 29.091 1.339 255 HA ASN 35 HA ASN 35 -1.909 28.306 1.370 256 HB2 ASN 35 1HB ASN 35 -3.935 28.138 -0.839 257 HB3 ASN 35 2HB ASN 35 -2.272 27.620 -0.977 258 HD21 ASN 35 1HD2 ASN 35 -5.020 25.095 0.280 259 HD22 ASN 35 2HD2 ASN 35 -5.355 26.627 -0.496 260 H THR 36 H THR 36 -1.032 30.345 1.736 261 HA THR 36 HA THR 36 -1.696 32.676 0.200 262 HB THR 36 HB THR 36 0.430 33.568 1.144 263 HG1 THR 36 HG1 THR 36 1.780 32.184 2.267 264 HG21 THR 36 1HG2 THR 36 -0.113 33.355 3.476 265 HG22 THR 36 2HG2 THR 36 -0.965 31.821 3.197 266 HG23 THR 36 3HG2 THR 36 -1.645 33.348 2.577 267 H ASN 37 H ASN 37 0.122 29.911 -0.547 268 HA ASN 37 HA ASN 37 1.675 31.312 -2.674 269 HB2 ASN 37 1HB ASN 37 3.159 29.349 -2.605 270 HB3 ASN 37 2HB ASN 37 2.998 30.079 -1.003 271 HD21 ASN 37 1HD2 ASN 37 1.603 27.261 0.506 272 HD22 ASN 37 2HD2 ASN 37 2.095 28.934 0.657 273 H SER 38 H SER 38 -1.259 30.362 -2.852 274 HA SER 38 HA SER 38 -0.830 28.681 -5.277 275 HB2 SER 38 1HB SER 38 -2.883 28.112 -3.127 276 HB3 SER 38 2HB SER 38 -2.571 27.157 -4.576 277 HG SER 38 HG SER 38 -0.261 27.364 -3.421 278 H SER 39 H SER 39 -2.420 28.675 -6.842 279 HA SER 39 HA SER 39 -3.985 31.121 -7.094 280 HB2 SER 39 1HB SER 39 -3.833 28.560 -8.732 281 HB3 SER 39 2HB SER 39 -4.646 30.050 -9.252 282 HG SER 39 HG SER 39 -2.675 31.101 -9.241 283 HA PRO 40 HA PRO 40 -7.684 29.689 -5.350 284 HB2 PRO 40 1HB PRO 40 -9.763 30.239 -7.052 285 HB3 PRO 40 2HB PRO 40 -8.879 31.505 -6.139 286 HG2 PRO 40 1HG PRO 40 -8.435 30.580 -8.971 287 HG3 PRO 40 2HG PRO 40 -8.673 32.248 -8.353 288 HD2 PRO 40 1HD PRO 40 -6.206 31.308 -8.811 289 HD3 PRO 40 2HD PRO 40 -6.536 32.297 -7.346 290 H ASP 41 H ASP 41 -7.101 28.466 -8.647 291 HA ASP 41 HA ASP 41 -8.976 26.270 -8.325 292 HB2 ASP 41 1HB ASP 41 -8.140 25.433 -10.362 293 HB3 ASP 41 2HB ASP 41 -8.226 27.191 -10.545 294 H ASP 42 H ASP 42 -5.690 26.935 -7.445 295 HA ASP 42 HA ASP 42 -4.709 24.223 -7.259 296 HB2 ASP 42 1HB ASP 42 -3.742 26.942 -6.493 297 HB3 ASP 42 2HB ASP 42 -2.971 25.539 -5.777 298 H GLN 43 H GLN 43 -6.790 26.010 -5.274 299 HA GLN 43 HA GLN 43 -5.867 25.441 -2.661 300 HB2 GLN 43 1HB GLN 43 -8.701 25.736 -3.698 301 HB3 GLN 43 2HB GLN 43 -8.215 25.864 -2.014 302 HG2 GLN 43 1HG GLN 43 -7.386 27.705 -4.259 303 HG3 GLN 43 2HG GLN 43 -8.524 28.081 -2.968 304 HE21 GLN 43 1HE2 GLN 43 -4.675 28.907 -2.549 305 HE22 GLN 43 2HE2 GLN 43 -5.498 28.592 -4.058 306 H ILE 44 H ILE 44 -7.575 23.285 -4.864 307 HA ILE 44 HA ILE 44 -8.652 21.491 -2.959 308 HB ILE 44 HB ILE 44 -9.262 21.580 -5.332 309 HG12 ILE 44 1HG1 ILE 44 -8.251 18.801 -4.852 310 HG13 ILE 44 2HG1 ILE 44 -9.509 19.508 -3.835 311 HG21 ILE 44 1HG2 ILE 44 -6.467 20.534 -5.817 312 HG22 ILE 44 2HG2 ILE 44 -7.212 22.020 -6.438 313 HG23 ILE 44 3HG2 ILE 44 -7.753 20.439 -7.009 314 HD11 ILE 44 1HD1 ILE 44 -9.686 19.224 -6.870 315 HD12 ILE 44 2HD1 ILE 44 -10.941 19.904 -5.813 316 HD13 ILE 44 3HD1 ILE 44 -10.502 18.190 -5.686 317 H GLY 45 H GLY 45 -7.957 19.656 -1.923 318 HA2 GLY 45 1HA GLY 45 -5.495 18.341 -2.474 319 HA3 GLY 45 2HA GLY 45 -5.215 19.552 -1.216 320 H TYR 46 H TYR 46 -4.677 17.840 0.224 321 HA TYR 46 HA TYR 46 -7.061 16.865 1.632 322 HB2 TYR 46 1HB TYR 46 -6.433 14.531 1.566 323 HB3 TYR 46 2HB TYR 46 -6.607 15.109 -0.086 324 HD1 TYR 46 HD1 TYR 46 -4.587 15.439 -1.517 325 HD2 TYR 46 HD2 TYR 46 -4.339 13.855 2.474 326 HE1 TYR 46 HE1 TYR 46 -2.287 14.608 -2.010 327 HE2 TYR 46 HE2 TYR 46 -2.033 12.994 1.949 328 HH TYR 46 HH TYR 46 -0.330 12.898 0.422 329 H TYR 47 H TYR 47 -6.283 15.658 3.688 330 HA TYR 47 HA TYR 47 -3.625 16.793 4.516 331 HB2 TYR 47 1HB TYR 47 -6.025 16.093 6.186 332 HB3 TYR 47 2HB TYR 47 -4.436 16.358 6.851 333 HD1 TYR 47 HD1 TYR 47 -3.905 18.440 7.695 334 HD2 TYR 47 HD2 TYR 47 -6.909 18.184 4.616 335 HE1 TYR 47 HE1 TYR 47 -4.401 20.859 7.952 336 HE2 TYR 47 HE2 TYR 47 -7.377 20.593 4.890 337 HH TYR 47 HH TYR 47 -6.990 22.478 6.129 338 H ARG 48 H ARG 48 -2.156 15.453 5.321 339 HA ARG 48 HA ARG 48 -2.730 12.529 5.061 340 HB2 ARG 48 1HB ARG 48 -1.050 13.702 3.531 341 HB3 ARG 48 2HB ARG 48 -0.055 13.972 4.956 342 HG2 ARG 48 1HG ARG 48 0.166 11.583 5.311 343 HG3 ARG 48 2HG ARG 48 -0.951 11.254 3.977 344 HD2 ARG 48 1HD ARG 48 0.607 12.433 2.432 345 HD3 ARG 48 2HD ARG 48 1.758 12.602 3.771 346 HE ARG 48 HE ARG 48 1.187 10.214 2.203 347 HH11 ARG 48 1HH1 ARG 48 2.433 11.295 5.329 348 HH12 ARG 48 2HH1 ARG 48 3.362 9.840 5.559 349 HH21 ARG 48 1HH2 ARG 48 2.397 8.396 2.572 350 HH22 ARG 48 2HH2 ARG 48 3.325 8.223 4.035 351 H ARG 49 H ARG 49 -2.711 11.376 6.852 352 HA ARG 49 HA ARG 49 -2.017 12.424 9.434 353 HB2 ARG 49 1HB ARG 49 -3.566 10.488 8.741 354 HB3 ARG 49 2HB ARG 49 -2.105 9.509 8.611 355 HG2 ARG 49 1HG ARG 49 -1.644 9.897 11.002 356 HG3 ARG 49 2HG ARG 49 -3.130 10.871 11.119 357 HD2 ARG 49 1HD ARG 49 -4.251 8.748 10.031 358 HD3 ARG 49 2HD ARG 49 -2.816 7.903 10.624 359 HE ARG 49 HE ARG 49 -4.989 9.158 12.213 360 HH11 ARG 49 1HH1 ARG 49 -1.928 7.376 12.304 361 HH12 ARG 49 2HH1 ARG 49 -2.120 6.980 13.990 362 HH21 ARG 49 1HH2 ARG 49 -5.149 8.656 14.291 363 HH22 ARG 49 2HH2 ARG 49 -3.942 7.674 15.107 364 H ALA 50 H ALA 50 -0.172 12.226 10.669 365 HA ALA 50 HA ALA 50 2.091 10.611 9.674 366 HB1 ALA 50 1HB ALA 50 2.349 12.796 8.505 367 HB2 ALA 50 2HB ALA 50 3.636 12.554 9.712 368 HB3 ALA 50 3HB ALA 50 2.268 13.636 10.073 369 H THR 51 H THR 51 3.623 10.166 11.267 370 HA THR 51 HA THR 51 3.396 11.409 13.951 371 HB THR 51 HB THR 51 3.626 9.119 15.013 372 HG1 THR 51 HG1 THR 51 2.864 7.361 13.585 373 HG21 THR 51 1HG2 THR 51 1.300 8.419 14.871 374 HG22 THR 51 2HG2 THR 51 1.069 9.381 13.392 375 HG23 THR 51 3HG2 THR 51 1.400 10.189 14.943 376 H ARG 52 H ARG 52 5.506 10.668 15.157 377 HA ARG 52 HA ARG 52 7.504 9.526 13.327 378 HB2 ARG 52 1HB ARG 52 7.430 12.145 13.134 379 HB3 ARG 52 2HB ARG 52 8.271 12.100 14.686 380 HG2 ARG 52 1HG ARG 52 9.968 12.269 13.027 381 HG3 ARG 52 2HG ARG 52 10.001 10.580 13.564 382 HD2 ARG 52 1HD ARG 52 8.633 9.935 11.586 383 HD3 ARG 52 2HD ARG 52 8.610 11.628 11.059 384 HE ARG 52 HE ARG 52 11.314 10.862 11.380 385 HH11 ARG 52 1HH1 ARG 52 8.614 10.058 9.252 386 HH12 ARG 52 2HH1 ARG 52 9.665 9.656 7.919 387 HH21 ARG 52 1HH2 ARG 52 12.592 10.323 9.632 388 HH22 ARG 52 2HH2 ARG 52 11.871 9.803 8.135 389 H ARG 53 H ARG 53 8.856 8.241 14.288 390 HA ARG 53 HA ARG 53 9.508 8.562 17.163 391 HB2 ARG 53 1HB ARG 53 8.277 6.099 15.862 392 HB3 ARG 53 2HB ARG 53 9.304 5.994 17.293 393 HG2 ARG 53 1HG ARG 53 7.668 7.759 18.277 394 HG3 ARG 53 2HG ARG 53 6.558 7.128 17.038 395 HD2 ARG 53 1HD ARG 53 7.285 4.816 17.883 396 HD3 ARG 53 2HD ARG 53 7.958 5.651 19.274 397 HE ARG 53 HE ARG 53 5.380 6.611 19.240 398 HH11 ARG 53 1HH1 ARG 53 6.637 3.291 19.235 399 HH12 ARG 53 2HH1 ARG 53 5.241 2.690 20.085 400 HH21 ARG 53 1HH2 ARG 53 3.709 5.781 20.360 401 HH22 ARG 53 2HH2 ARG 53 3.608 4.064 20.696 402 H ILE 54 H ILE 54 11.233 7.099 17.725 403 HA ILE 54 HA ILE 54 13.054 6.544 15.443 404 HB ILE 54 HB ILE 54 14.891 7.622 16.411 405 HG12 ILE 54 1HG1 ILE 54 14.810 6.870 18.689 406 HG13 ILE 54 2HG1 ILE 54 15.050 8.600 18.636 407 HG21 ILE 54 1HG2 ILE 54 14.319 9.961 16.690 408 HG22 ILE 54 2HG2 ILE 54 12.626 9.541 17.025 409 HG23 ILE 54 3HG2 ILE 54 13.321 9.223 15.419 410 HD11 ILE 54 1HD1 ILE 54 13.601 8.075 20.447 411 HD12 ILE 54 2HD1 ILE 54 12.513 7.168 19.383 412 HD13 ILE 54 3HD1 ILE 54 12.665 8.933 19.212 413 H ARG 55 H ARG 55 14.964 5.193 16.562 414 HA ARG 55 HA ARG 55 13.667 3.357 18.543 415 HB2 ARG 55 1HB ARG 55 13.877 2.345 16.268 416 HB3 ARG 55 2HB ARG 55 15.625 2.586 16.343 417 HG2 ARG 55 1HG ARG 55 14.684 1.178 18.719 418 HG3 ARG 55 2HG ARG 55 14.156 0.346 17.245 419 HD2 ARG 55 1HD ARG 55 16.475 0.308 16.413 420 HD3 ARG 55 2HD ARG 55 17.018 1.183 17.859 421 HE ARG 55 HE ARG 55 15.659 -1.133 18.730 422 HH11 ARG 55 1HH1 ARG 55 18.645 -0.360 17.009 423 HH12 ARG 55 2HH1 ARG 55 19.446 -1.805 17.564 424 HH21 ARG 55 1HH2 ARG 55 16.756 -2.942 19.415 425 HH22 ARG 55 2HH2 ARG 55 18.394 -3.236 18.903 426 H GLY 56 H GLY 56 14.578 4.184 20.407 427 HA2 GLY 56 1HA GLY 56 17.468 4.646 20.542 428 HA3 GLY 56 2HA GLY 56 16.323 4.583 21.915 429 H GLY 57 H GLY 57 18.976 3.130 21.591 430 HA2 GLY 57 1HA GLY 57 18.443 0.407 20.930 431 HA3 GLY 57 2HA GLY 57 19.785 0.987 21.936 432 H ASP 58 H ASP 58 18.143 2.237 23.922 433 HA ASP 58 HA ASP 58 17.383 -0.136 25.483 434 HB2 ASP 58 1HB ASP 58 18.868 1.765 26.291 435 HB3 ASP 58 2HB ASP 58 17.417 2.765 26.323 436 H GLY 59 H GLY 59 15.767 1.243 23.204 437 HA2 GLY 59 1HA GLY 59 13.515 0.872 22.737 438 HA3 GLY 59 2HA GLY 59 13.210 0.592 24.457 439 H LYS 60 H LYS 60 14.944 3.446 23.747 440 HA LYS 60 HA LYS 60 12.862 5.023 24.896 441 HB2 LYS 60 1HB LYS 60 15.338 5.999 23.437 442 HB3 LYS 60 2HB LYS 60 14.351 6.899 24.594 443 HG2 LYS 60 1HG LYS 60 16.284 4.620 25.110 444 HG3 LYS 60 2HG LYS 60 16.274 6.241 25.816 445 HD2 LYS 60 1HD LYS 60 14.084 5.575 26.994 446 HD3 LYS 60 2HD LYS 60 14.393 3.915 26.411 447 HE2 LYS 60 1HE LYS 60 16.654 4.082 27.497 448 HE3 LYS 60 2HE LYS 60 16.089 5.552 28.307 449 HZ1 LYS 60 1HZ LYS 60 15.846 3.356 29.527 450 HZ2 LYS 60 2HZ LYS 60 14.642 2.971 28.480 451 HZ3 LYS 60 3HZ LYS 60 14.474 4.286 29.471 452 H MET 61 H MET 61 11.407 6.251 24.091 453 HA MET 61 HA MET 61 11.000 6.220 21.136 454 HB2 MET 61 1HB MET 61 8.977 6.478 23.391 455 HB3 MET 61 2HB MET 61 8.590 6.400 21.673 456 HG2 MET 61 1HG MET 61 10.093 4.114 22.928 457 HG3 MET 61 2HG MET 61 8.372 4.294 23.259 458 HE1 MET 61 1HE MET 61 10.444 4.785 19.771 459 HE2 MET 61 2HE MET 61 10.218 3.099 19.247 460 HE3 MET 61 3HE MET 61 11.081 3.446 20.764 461 H LYS 62 H LYS 62 10.083 8.053 20.155 462 HA LYS 62 HA LYS 62 10.566 10.634 21.577 463 HB2 LYS 62 1HB LYS 62 10.636 9.721 18.794 464 HB3 LYS 62 2HB LYS 62 9.521 11.072 18.969 465 HG2 LYS 62 1HG LYS 62 12.345 11.065 19.942 466 HG3 LYS 62 2HG LYS 62 11.819 11.714 18.380 467 HD2 LYS 62 1HD LYS 62 10.404 13.374 19.504 468 HD3 LYS 62 2HD LYS 62 10.771 12.657 21.081 469 HE2 LYS 62 1HE LYS 62 12.215 14.470 21.025 470 HE3 LYS 62 2HE LYS 62 13.246 13.114 20.522 471 HZ1 LYS 62 1HZ LYS 62 11.968 15.080 18.703 472 HZ2 LYS 62 2HZ LYS 62 12.927 13.825 18.224 473 HZ3 LYS 62 3HZ LYS 62 13.563 15.055 19.121 474 H ASP 63 H ASP 63 8.348 8.721 19.839 475 HA ASP 63 HA ASP 63 6.101 8.637 19.581 476 HB2 ASP 63 1HB ASP 63 6.736 7.899 21.986 477 HB3 ASP 63 2HB ASP 63 5.797 9.306 22.486 478 H LEU 64 H LEU 64 6.535 10.889 18.435 479 HA LEU 64 HA LEU 64 5.183 13.128 19.656 480 HB2 LEU 64 1HB LEU 64 5.701 12.536 16.719 481 HB3 LEU 64 2HB LEU 64 5.143 14.074 17.370 482 HG LEU 64 HG LEU 64 7.862 12.791 17.804 483 HD11 LEU 64 1HD1 LEU 64 8.677 14.702 16.534 484 HD12 LEU 64 2HD1 LEU 64 7.044 15.402 16.461 485 HD13 LEU 64 3HD1 LEU 64 7.404 13.892 15.599 486 HD21 LEU 64 1HD2 LEU 64 8.437 14.944 18.984 487 HD22 LEU 64 2HD2 LEU 64 7.305 13.916 19.884 488 HD23 LEU 64 3HD2 LEU 64 6.707 15.345 19.005 489 H SER 65 H SER 65 3.112 13.773 19.536 490 HA SER 65 HA SER 65 1.069 11.855 19.412 491 HB2 SER 65 1HB SER 65 -0.267 14.199 19.147 492 HB3 SER 65 2HB SER 65 0.482 13.675 20.673 493 HG SER 65 HG SER 65 1.053 15.835 20.007 494 HA PRO 66 HA PRO 66 -0.122 11.589 15.234 495 HB2 PRO 66 1HB PRO 66 -2.867 11.851 15.187 496 HB3 PRO 66 2HB PRO 66 -2.029 10.378 15.774 497 HG2 PRO 66 1HG PRO 66 -3.070 12.710 17.371 498 HG3 PRO 66 2HG PRO 66 -3.360 10.956 17.616 499 HD2 PRO 66 1HD PRO 66 -1.491 12.229 19.037 500 HD3 PRO 66 2HD PRO 66 -1.150 10.593 18.371 501 H ARG 67 H ARG 67 -0.044 12.878 13.562 502 HA ARG 67 HA ARG 67 -0.981 15.696 13.856 503 HB2 ARG 67 1HB ARG 67 1.720 14.546 13.202 504 HB3 ARG 67 2HB ARG 67 1.231 16.052 12.427 505 HG2 ARG 67 1HG ARG 67 1.166 17.226 14.411 506 HG3 ARG 67 2HG ARG 67 1.008 15.764 15.404 507 HD2 ARG 67 1HD ARG 67 3.275 15.160 15.074 508 HD3 ARG 67 2HD ARG 67 3.476 16.339 13.764 509 HE ARG 67 HE ARG 67 3.123 17.016 16.655 510 HH11 ARG 67 1HH1 ARG 67 4.373 17.912 13.463 511 HH12 ARG 67 2HH1 ARG 67 5.091 19.392 14.075 512 HH21 ARG 67 1HH2 ARG 67 4.093 18.917 17.321 513 HH22 ARG 67 2HH2 ARG 67 4.962 19.917 16.166 514 H TRP 68 H TRP 68 -1.203 16.788 11.814 515 HA TRP 68 HA TRP 68 -1.449 14.966 9.463 516 HB2 TRP 68 1HB TRP 68 -3.467 17.016 10.428 517 HB3 TRP 68 2HB TRP 68 -3.516 16.231 8.847 518 HD1 TRP 68 HD1 TRP 68 -3.780 15.306 12.599 519 HE1 TRP 68 HE1 TRP 68 -5.226 13.230 12.878 520 HE3 TRP 68 HE3 TRP 68 -4.466 14.249 7.638 521 HZ2 TRP 68 HZ2 TRP 68 -6.525 11.397 11.179 522 HZ3 TRP 68 HZ3 TRP 68 -5.893 12.284 7.025 523 HH2 TRP 68 HH2 TRP 68 -6.923 10.865 8.826 524 H TYR 69 H TYR 69 -0.866 15.941 7.535 525 HA TYR 69 HA TYR 69 -0.002 18.823 7.684 526 HB2 TYR 69 1HB TYR 69 1.351 16.433 6.376 527 HB3 TYR 69 2HB TYR 69 1.766 18.109 6.025 528 HD1 TYR 69 HD1 TYR 69 3.210 19.377 7.457 529 HD2 TYR 69 HD2 TYR 69 1.764 15.536 8.761 530 HE1 TYR 69 HE1 TYR 69 4.859 19.384 9.322 531 HE2 TYR 69 HE2 TYR 69 3.423 15.558 10.629 532 HH TYR 69 HH TYR 69 5.686 18.278 11.127 533 H PHE 70 H PHE 70 -0.398 19.948 5.652 534 HA PHE 70 HA PHE 70 -2.573 18.698 4.113 535 HB2 PHE 70 1HB PHE 70 -3.029 20.916 5.020 536 HB3 PHE 70 2HB PHE 70 -1.574 21.558 4.250 537 HD1 PHE 70 HD1 PHE 70 -1.672 22.447 2.071 538 HD2 PHE 70 HD2 PHE 70 -4.841 19.892 3.438 539 HE1 PHE 70 HE1 PHE 70 -2.972 22.970 0.022 540 HE2 PHE 70 HE2 PHE 70 -6.136 20.391 1.370 541 HZ PHE 70 HZ PHE 70 -5.203 21.939 -0.343 542 H TYR 71 H TYR 71 -2.468 18.320 2.020 543 HA TYR 71 HA TYR 71 0.091 18.839 0.577 544 HB2 TYR 71 1HB TYR 71 -1.222 16.350 1.520 545 HB3 TYR 71 2HB TYR 71 -0.512 16.294 -0.126 546 HD1 TYR 71 HD1 TYR 71 0.069 16.078 3.439 547 HD2 TYR 71 HD2 TYR 71 2.019 16.880 -0.313 548 HE1 TYR 71 HE1 TYR 71 2.286 15.632 4.491 549 HE2 TYR 71 HE2 TYR 71 4.237 16.467 0.761 550 HH TYR 71 HH TYR 71 4.533 15.586 4.219 551 H TYR 72 H TYR 72 -0.307 19.118 -1.642 552 HA TYR 72 HA TYR 72 -3.064 19.810 -2.280 553 HB2 TYR 72 1HB TYR 72 -0.517 19.973 -3.922 554 HB3 TYR 72 2HB TYR 72 -2.083 20.655 -4.387 555 HD1 TYR 72 HD1 TYR 72 0.790 20.962 -2.035 556 HD2 TYR 72 HD2 TYR 72 -2.953 22.676 -3.297 557 HE1 TYR 72 HE1 TYR 72 1.275 23.017 -0.718 558 HE2 TYR 72 HE2 TYR 72 -2.426 24.747 -2.011 559 HH TYR 72 HH TYR 72 -0.982 25.740 -0.522 560 H LEU 73 H LEU 73 -4.125 19.122 -4.297 561 HA LEU 73 HA LEU 73 -4.443 16.333 -4.362 562 HB2 LEU 73 1HB LEU 73 -5.802 18.410 -5.364 563 HB3 LEU 73 2HB LEU 73 -4.957 17.960 -6.830 564 HG LEU 73 HG LEU 73 -7.043 16.397 -5.302 565 HD11 LEU 73 1HD1 LEU 73 -8.305 16.599 -7.300 566 HD12 LEU 73 2HD1 LEU 73 -6.890 17.079 -8.244 567 HD13 LEU 73 3HD1 LEU 73 -7.576 18.190 -7.051 568 HD21 LEU 73 1HD2 LEU 73 -6.793 14.609 -7.042 569 HD22 LEU 73 2HD2 LEU 73 -5.457 14.687 -5.888 570 HD23 LEU 73 3HD2 LEU 73 -5.255 15.358 -7.524 571 H GLY 74 H GLY 74 -3.295 14.710 -5.222 572 HA2 GLY 74 1HA GLY 74 -1.955 13.563 -6.694 573 HA3 GLY 74 2HA GLY 74 -2.113 14.923 -7.809 574 H THR 75 H THR 75 -0.626 15.057 -4.520 575 HA THR 75 HA THR 75 1.834 16.036 -5.859 576 HB THR 75 HB THR 75 2.557 16.057 -3.285 577 HG1 THR 75 HG1 THR 75 -0.268 16.363 -3.048 578 HG21 THR 75 1HG2 THR 75 1.493 18.298 -3.024 579 HG22 THR 75 2HG2 THR 75 0.541 17.985 -4.495 580 HG23 THR 75 3HG2 THR 75 2.316 18.090 -4.584 581 H GLY 76 H GLY 76 3.809 14.932 -5.664 582 HA2 GLY 76 1HA GLY 76 5.148 13.009 -5.281 583 HA3 GLY 76 2HA GLY 76 3.708 12.108 -4.739 584 HA PRO 77 HA PRO 77 4.207 12.455 -9.539 585 HB2 PRO 77 1HB PRO 77 6.080 10.624 -10.369 586 HB3 PRO 77 2HB PRO 77 6.462 12.308 -9.940 587 HG2 PRO 77 1HG PRO 77 6.708 9.873 -8.212 588 HG3 PRO 77 2HG PRO 77 7.931 11.139 -8.556 589 HD2 PRO 77 1HD PRO 77 6.440 11.232 -6.323 590 HD3 PRO 77 2HD PRO 77 6.819 12.734 -7.238 591 H GLU 78 H GLU 78 4.710 9.431 -7.790 592 HA GLU 78 HA GLU 78 2.717 8.093 -9.581 593 HB2 GLU 78 1HB GLU 78 5.023 6.912 -7.990 594 HB3 GLU 78 2HB GLU 78 3.859 5.983 -8.955 595 HG2 GLU 78 1HG GLU 78 4.610 7.168 -10.997 596 HG3 GLU 78 2HG GLU 78 5.789 8.075 -10.036 597 H ALA 79 H ALA 79 2.042 9.789 -7.379 598 HA ALA 79 HA ALA 79 1.620 8.288 -4.986 599 HB1 ALA 79 1HB ALA 79 1.607 10.721 -5.031 600 HB2 ALA 79 2HB ALA 79 0.054 10.124 -4.408 601 HB3 ALA 79 3HB ALA 79 0.173 10.730 -6.079 602 H GLY 80 H GLY 80 -0.197 8.554 -7.972 603 HA2 GLY 80 1HA GLY 80 -2.009 7.380 -8.752 604 HA3 GLY 80 2HA GLY 80 -1.667 6.192 -7.490 605 H LEU 81 H LEU 81 -2.536 9.550 -6.680 606 HA LEU 81 HA LEU 81 -5.076 8.467 -5.619 607 HB2 LEU 81 1HB LEU 81 -3.047 10.429 -4.596 608 HB3 LEU 81 2HB LEU 81 -4.714 10.548 -4.108 609 HG LEU 81 HG LEU 81 -2.935 8.163 -3.605 610 HD11 LEU 81 1HD1 LEU 81 -2.327 10.184 -2.321 611 HD12 LEU 81 2HD1 LEU 81 -3.034 8.954 -1.261 612 HD13 LEU 81 3HD1 LEU 81 -4.009 10.346 -1.764 613 HD21 LEU 81 1HD2 LEU 81 -4.806 7.410 -2.129 614 HD22 LEU 81 2HD2 LEU 81 -5.280 7.460 -3.841 615 HD23 LEU 81 3HD2 LEU 81 -5.796 8.746 -2.725 616 HA PRO 82 HA PRO 82 -6.848 11.830 -8.096 617 HB2 PRO 82 1HB PRO 82 -9.220 10.573 -8.540 618 HB3 PRO 82 2HB PRO 82 -7.756 10.153 -9.491 619 HG2 PRO 82 1HG PRO 82 -8.960 8.752 -7.124 620 HG3 PRO 82 2HG PRO 82 -8.314 8.061 -8.634 621 HD2 PRO 82 1HD PRO 82 -6.935 8.142 -6.312 622 HD3 PRO 82 2HD PRO 82 -6.168 8.117 -7.915 623 H TYR 83 H TYR 83 -8.840 13.116 -7.459 624 HA TYR 83 HA TYR 83 -8.934 13.447 -4.636 625 HB2 TYR 83 1HB TYR 83 -9.483 15.169 -6.357 626 HB3 TYR 83 2HB TYR 83 -10.986 14.312 -6.692 627 HD1 TYR 83 HD1 TYR 83 -9.114 16.332 -4.208 628 HD2 TYR 83 HD2 TYR 83 -12.869 14.441 -5.111 629 HE1 TYR 83 HE1 TYR 83 -10.193 17.592 -2.363 630 HE2 TYR 83 HE2 TYR 83 -13.942 15.697 -3.239 631 HH TYR 83 HH TYR 83 -13.645 17.183 -1.537 632 H GLY 84 H GLY 84 -10.144 12.539 -3.080 633 HA2 GLY 84 1HA GLY 84 -12.067 11.551 -2.174 634 HA3 GLY 84 2HA GLY 84 -12.648 11.163 -3.795 635 H ALA 85 H ALA 85 -9.528 10.077 -3.914 636 HA ALA 85 HA ALA 85 -10.324 7.346 -3.699 637 HB1 ALA 85 1HB ALA 85 -7.796 6.959 -3.695 638 HB2 ALA 85 2HB ALA 85 -7.660 8.728 -3.872 639 HB3 ALA 85 3HB ALA 85 -8.525 7.771 -5.091 640 H ASN 86 H ASN 86 -10.385 5.924 -2.100 641 HA ASN 86 HA ASN 86 -10.047 6.883 0.629 642 HB2 ASN 86 1HB ASN 86 -11.856 5.289 -0.219 643 HB3 ASN 86 2HB ASN 86 -10.601 4.044 -0.323 644 HD21 ASN 86 1HD2 ASN 86 -12.518 4.243 3.019 645 HD22 ASN 86 2HD2 ASN 86 -13.092 4.515 1.391 646 H LYS 87 H LYS 87 -8.275 6.708 1.858 647 HA LYS 87 HA LYS 87 -6.419 4.470 1.565 648 HB2 LYS 87 1HB LYS 87 -5.623 6.104 -0.142 649 HB3 LYS 87 2HB LYS 87 -5.512 7.329 1.091 650 HG2 LYS 87 1HG LYS 87 -3.660 6.336 2.146 651 HG3 LYS 87 2HG LYS 87 -3.975 4.742 1.414 652 HD2 LYS 87 1HD LYS 87 -3.147 7.173 -0.162 653 HD3 LYS 87 2HD LYS 87 -1.987 6.023 0.504 654 HE2 LYS 87 1HE LYS 87 -2.999 4.195 -0.827 655 HE3 LYS 87 2HE LYS 87 -4.204 5.315 -1.481 656 HZ1 LYS 87 1HZ LYS 87 -2.385 4.972 -3.042 657 HZ2 LYS 87 2HZ LYS 87 -1.274 5.510 -1.952 658 HZ3 LYS 87 3HZ LYS 87 -2.403 6.546 -2.560 659 H ASP 88 H ASP 88 -5.112 4.360 3.498 660 HA ASP 88 HA ASP 88 -6.513 5.284 5.814 661 HB2 ASP 88 1HB ASP 88 -5.099 3.234 5.771 662 HB3 ASP 88 2HB ASP 88 -3.661 4.257 5.604 663 H GLY 89 H GLY 89 -6.336 7.046 7.015 664 HA2 GLY 89 1HA GLY 89 -5.520 9.020 7.857 665 HA3 GLY 89 2HA GLY 89 -3.922 8.544 7.274 666 H ILE 90 H ILE 90 -6.621 8.843 5.025 667 HA ILE 90 HA ILE 90 -5.458 11.434 4.094 668 HB ILE 90 HB ILE 90 -6.534 9.156 2.346 669 HG12 ILE 90 1HG1 ILE 90 -4.304 8.664 3.235 670 HG13 ILE 90 2HG1 ILE 90 -4.274 8.935 1.501 671 HG21 ILE 90 1HG2 ILE 90 -7.104 11.257 1.286 672 HG22 ILE 90 2HG2 ILE 90 -5.653 10.668 0.456 673 HG23 ILE 90 3HG2 ILE 90 -5.524 11.968 1.664 674 HD11 ILE 90 1HD1 ILE 90 -2.384 9.876 2.869 675 HD12 ILE 90 2HD1 ILE 90 -3.532 11.131 3.410 676 HD13 ILE 90 3HD1 ILE 90 -3.155 10.946 1.680 677 H ILE 91 H ILE 91 -6.803 13.037 4.131 678 HA ILE 91 HA ILE 91 -9.708 12.455 3.666 679 HB ILE 91 HB ILE 91 -10.266 14.378 5.188 680 HG12 ILE 91 1HG1 ILE 91 -7.852 14.148 6.816 681 HG13 ILE 91 2HG1 ILE 91 -7.478 14.754 5.226 682 HG21 ILE 91 1HG2 ILE 91 -10.191 13.076 7.225 683 HG22 ILE 91 2HG2 ILE 91 -8.866 12.066 6.596 684 HG23 ILE 91 3HG2 ILE 91 -10.482 11.969 5.865 685 HD11 ILE 91 1HD1 ILE 91 -7.990 16.578 6.804 686 HD12 ILE 91 2HD1 ILE 91 -9.633 15.937 6.998 687 HD13 ILE 91 3HD1 ILE 91 -9.083 16.548 5.413 688 H TRP 92 H TRP 92 -10.277 13.259 1.797 689 HA TRP 92 HA TRP 92 -8.790 15.399 0.541 690 HB2 TRP 92 1HB TRP 92 -11.325 13.924 -0.222 691 HB3 TRP 92 2HB TRP 92 -10.462 15.063 -1.258 692 HD1 TRP 92 HD1 TRP 92 -10.282 11.508 0.028 693 HE1 TRP 92 HE1 TRP 92 -8.398 10.227 -1.079 694 HE3 TRP 92 HE3 TRP 92 -8.052 15.477 -2.303 695 HZ2 TRP 92 HZ2 TRP 92 -6.178 10.853 -2.737 696 HZ3 TRP 92 HZ3 TRP 92 -6.005 15.054 -3.668 697 HH2 TRP 92 HH2 TRP 92 -5.079 12.745 -3.890 698 H VAL 93 H VAL 93 -9.255 17.486 0.241 699 HA VAL 93 HA VAL 93 -11.901 18.535 1.114 700 HB VAL 93 HB VAL 93 -10.714 20.468 2.239 701 HG11 VAL 93 1HG1 VAL 93 -10.250 19.298 4.331 702 HG12 VAL 93 2HG1 VAL 93 -10.157 17.744 3.472 703 HG13 VAL 93 3HG1 VAL 93 -11.698 18.634 3.550 704 HG21 VAL 93 1HG2 VAL 93 -8.392 20.266 2.927 705 HG22 VAL 93 2HG2 VAL 93 -8.463 20.101 1.163 706 HG23 VAL 93 3HG2 VAL 93 -8.256 18.660 2.181 707 H ALA 94 H ALA 94 -12.447 20.548 0.137 708 HA ALA 94 HA ALA 94 -10.636 21.770 -1.805 709 HB1 ALA 94 1HB ALA 94 -11.631 19.803 -3.076 710 HB2 ALA 94 2HB ALA 94 -12.039 21.391 -3.760 711 HB3 ALA 94 3HB ALA 94 -13.240 20.502 -2.788 712 H THR 95 H THR 95 -11.845 23.679 -2.774 713 HA THR 95 HA THR 95 -14.089 24.598 -1.041 714 HB THR 95 HB THR 95 -11.878 25.649 -0.311 715 HG1 THR 95 HG1 THR 95 -12.771 27.815 -0.482 716 HG21 THR 95 1HG2 THR 95 -10.825 27.307 -1.728 717 HG22 THR 95 2HG2 THR 95 -12.022 27.050 -3.015 718 HG23 THR 95 3HG2 THR 95 -10.857 25.768 -2.607 719 H GLU 96 H GLU 96 -14.972 26.716 -2.296 720 HA GLU 96 HA GLU 96 -15.859 25.705 -4.829 721 HB2 GLU 96 1HB GLU 96 -17.127 27.206 -3.268 722 HB3 GLU 96 2HB GLU 96 -16.068 28.537 -3.750 723 HG2 GLU 96 1HG GLU 96 -16.857 28.414 -6.033 724 HG3 GLU 96 2HG GLU 96 -17.757 26.927 -5.688 725 H GLY 97 H GLY 97 -15.161 26.073 -6.852 726 HA2 GLY 97 1HA GLY 97 -14.121 27.276 -8.586 727 HA3 GLY 97 2HA GLY 97 -13.255 28.256 -7.396 728 H ALA 98 H ALA 98 -12.747 25.354 -6.146 729 HA ALA 98 HA ALA 98 -10.091 25.161 -7.251 730 HB1 ALA 98 1HB ALA 98 -10.855 24.668 -4.880 731 HB2 ALA 98 2HB ALA 98 -9.739 23.517 -5.631 732 HB3 ALA 98 3HB ALA 98 -11.475 23.124 -5.517 733 H LEU 99 H LEU 99 -9.249 23.714 -8.752 734 HA LEU 99 HA LEU 99 -11.289 22.257 -10.345 735 HB2 LEU 99 1HB LEU 99 -8.425 23.063 -10.845 736 HB3 LEU 99 2HB LEU 99 -9.268 21.930 -11.884 737 HG LEU 99 HG LEU 99 -10.061 24.825 -11.450 738 HD11 LEU 99 1HD1 LEU 99 -9.270 25.034 -13.792 739 HD12 LEU 99 2HD1 LEU 99 -8.772 23.322 -13.766 740 HD13 LEU 99 3HD1 LEU 99 -7.972 24.507 -12.701 741 HD21 LEU 99 1HD2 LEU 99 -11.590 24.407 -13.387 742 HD22 LEU 99 2HD2 LEU 99 -12.057 23.510 -11.934 743 HD23 LEU 99 3HD2 LEU 99 -11.226 22.670 -13.269 744 H ASN 100 H ASN 100 -11.321 20.144 -10.759 745 HA ASN 100 HA ASN 100 -9.744 18.415 -8.977 746 HB2 ASN 100 1HB ASN 100 -12.182 18.036 -9.351 747 HB3 ASN 100 2HB ASN 100 -11.842 17.680 -11.051 748 HD21 ASN 100 1HD2 ASN 100 -11.771 14.334 -10.027 749 HD22 ASN 100 2HD2 ASN 100 -12.638 15.583 -10.883 750 H THR 101 H THR 101 -7.719 19.087 -10.019 751 HA THR 101 HA THR 101 -6.960 17.127 -12.113 752 HB THR 101 HB THR 101 -7.591 19.584 -13.059 753 HG1 THR 101 HG1 THR 101 -6.782 18.100 -14.427 754 HG21 THR 101 1HG2 THR 101 -5.695 21.079 -13.163 755 HG22 THR 101 2HG2 THR 101 -4.691 19.942 -12.232 756 HG23 THR 101 3HG2 THR 101 -6.081 20.760 -11.458 757 HA PRO 102 HA PRO 102 -3.666 17.116 -9.139 758 HB2 PRO 102 1HB PRO 102 -1.441 16.525 -10.596 759 HB3 PRO 102 2HB PRO 102 -2.733 15.316 -10.287 760 HG2 PRO 102 1HG PRO 102 -2.266 17.051 -12.705 761 HG3 PRO 102 2HG PRO 102 -2.619 15.297 -12.627 762 HD2 PRO 102 1HD PRO 102 -4.515 17.133 -13.157 763 HD3 PRO 102 2HD PRO 102 -4.863 15.642 -12.219 764 H LYS 103 H LYS 103 -2.052 18.421 -8.188 765 HA LYS 103 HA LYS 103 -0.742 20.457 -9.891 766 HB2 LYS 103 1HB LYS 103 -1.205 22.156 -7.912 767 HB3 LYS 103 2HB LYS 103 -2.225 22.029 -9.320 768 HG2 LYS 103 1HG LYS 103 -2.928 20.501 -6.817 769 HG3 LYS 103 2HG LYS 103 -3.305 22.223 -6.961 770 HD2 LYS 103 1HD LYS 103 -4.108 20.436 -9.221 771 HD3 LYS 103 2HD LYS 103 -5.009 20.296 -7.725 772 HE2 LYS 103 1HE LYS 103 -6.199 21.736 -9.190 773 HE3 LYS 103 2HE LYS 103 -5.549 22.715 -7.886 774 HZ1 LYS 103 1HZ LYS 103 -5.317 23.759 -10.083 775 HZ2 LYS 103 2HZ LYS 103 -4.346 22.521 -10.583 776 HZ3 LYS 103 3HZ LYS 103 -3.850 23.527 -9.370 777 H ASP 104 H ASP 104 0.593 18.463 -9.321 778 HA ASP 104 HA ASP 104 1.854 18.245 -6.777 779 HB2 ASP 104 1HB ASP 104 3.487 16.905 -7.914 780 HB3 ASP 104 2HB ASP 104 1.927 16.567 -8.676 781 H HIS 105 H HIS 105 2.216 20.458 -9.410 782 HA HIS 105 HA HIS 105 4.876 21.283 -9.177 783 HB2 HIS 105 1HB HIS 105 4.248 23.213 -10.417 784 HB3 HIS 105 2HB HIS 105 3.201 21.901 -10.968 785 HD1 HIS 105 HD1 HIS 105 3.156 25.239 -9.186 786 HD2 HIS 105 HD2 HIS 105 0.432 22.246 -10.287 787 HE1 HIS 105 HE1 HIS 105 0.807 26.216 -8.893 788 H ILE 106 H ILE 106 2.359 21.836 -6.880 789 HA ILE 106 HA ILE 106 3.676 24.228 -5.769 790 HB ILE 106 HB ILE 106 1.385 22.632 -4.551 791 HG12 ILE 106 1HG1 ILE 106 1.134 25.023 -6.406 792 HG13 ILE 106 2HG1 ILE 106 0.918 23.354 -6.938 793 HG21 ILE 106 1HG2 ILE 106 0.861 24.864 -3.509 794 HG22 ILE 106 2HG2 ILE 106 2.305 25.548 -4.283 795 HG23 ILE 106 3HG2 ILE 106 2.457 24.276 -3.057 796 HD11 ILE 106 1HD1 ILE 106 -1.203 24.141 -6.572 797 HD12 ILE 106 2HD1 ILE 106 -0.779 24.899 -5.027 798 HD13 ILE 106 3HD1 ILE 106 -0.848 23.123 -5.178 799 H GLY 107 H GLY 107 3.263 20.760 -5.097 800 HA2 GLY 107 1HA GLY 107 4.336 20.923 -2.422 801 HA3 GLY 107 2HA GLY 107 3.957 19.462 -3.326 802 H THR 108 H THR 108 6.165 21.573 -4.943 803 HA THR 108 HA THR 108 8.307 19.608 -4.536 804 HB THR 108 HB THR 108 7.840 20.588 -6.785 805 HG1 THR 108 HG1 THR 108 10.369 21.172 -5.618 806 HG21 THR 108 1HG2 THR 108 7.231 22.896 -6.101 807 HG22 THR 108 2HG2 THR 108 8.535 22.884 -7.301 808 HG23 THR 108 3HG2 THR 108 8.913 23.185 -5.593 809 H ARG 109 H ARG 109 7.297 21.620 -2.383 810 HA ARG 109 HA ARG 109 9.380 23.495 -1.859 811 HB2 ARG 109 1HB ARG 109 7.048 23.402 -0.844 812 HB3 ARG 109 2HB ARG 109 7.626 22.080 0.177 813 HG2 ARG 109 1HG ARG 109 9.396 23.640 1.069 814 HG3 ARG 109 2HG ARG 109 8.629 24.938 0.135 815 HD2 ARG 109 1HD ARG 109 7.679 25.168 2.257 816 HD3 ARG 109 2HD ARG 109 6.479 24.279 1.332 817 HE ARG 109 HE ARG 109 6.772 22.409 2.657 818 HH11 ARG 109 1HH1 ARG 109 9.344 24.711 3.436 819 HH12 ARG 109 2HH1 ARG 109 9.833 23.810 4.849 820 HH21 ARG 109 1HH2 ARG 109 7.395 21.377 4.468 821 HH22 ARG 109 2HH2 ARG 109 8.749 21.943 5.420 822 H ASN 110 H ASN 110 11.282 23.374 -0.746 823 HA ASN 110 HA ASN 110 12.087 20.663 0.222 824 HB2 ASN 110 1HB ASN 110 13.458 22.679 -1.375 825 HB3 ASN 110 2HB ASN 110 14.334 22.349 0.127 826 HD21 ASN 110 1HD2 ASN 110 15.083 19.923 -2.759 827 HD22 ASN 110 2HD2 ASN 110 14.702 21.624 -2.837 828 HA PRO 111 HA PRO 111 11.664 22.865 4.073 829 HB2 PRO 111 1HB PRO 111 12.330 20.899 5.825 830 HB3 PRO 111 2HB PRO 111 10.804 20.847 4.882 831 HG2 PRO 111 1HG PRO 111 13.426 19.494 4.317 832 HG3 PRO 111 2HG PRO 111 11.777 18.792 4.346 833 HD2 PRO 111 1HD PRO 111 12.999 19.558 2.043 834 HD3 PRO 111 2HD PRO 111 11.231 19.722 2.272 835 H ALA 112 H ALA 112 14.576 21.589 2.809 836 HA ALA 112 HA ALA 112 16.330 22.460 4.961 837 HB1 ALA 112 1HB ALA 112 18.113 21.958 3.305 838 HB2 ALA 112 2HB ALA 112 16.883 21.737 2.037 839 HB3 ALA 112 3HB ALA 112 16.953 20.613 3.422 840 H ASN 113 H ASN 113 14.764 23.877 2.202 841 HA ASN 113 HA ASN 113 16.685 26.147 2.153 842 HB2 ASN 113 1HB ASN 113 14.528 25.291 0.188 843 HB3 ASN 113 2HB ASN 113 15.627 26.655 -0.031 844 HD21 ASN 113 1HD2 ASN 113 16.875 23.608 -1.813 845 HD22 ASN 113 2HD2 ASN 113 15.336 24.435 -1.772 846 H ASN 114 H ASN 114 13.313 25.408 2.938 847 HA ASN 114 HA ASN 114 12.880 28.238 3.573 848 HB2 ASN 114 1HB ASN 114 11.684 28.330 1.623 849 HB3 ASN 114 2HB ASN 114 11.681 26.586 1.478 850 HD21 ASN 114 1HD2 ASN 114 8.625 28.407 3.251 851 HD22 ASN 114 2HD2 ASN 114 10.119 29.214 2.829 852 H ALA 115 H ALA 115 11.217 28.516 5.067 853 HA ALA 115 HA ALA 115 10.818 26.228 6.900 854 HB1 ALA 115 1HB ALA 115 11.666 28.364 7.833 855 HB2 ALA 115 2HB ALA 115 10.070 27.955 8.505 856 HB3 ALA 115 3HB ALA 115 10.206 29.199 7.243 857 H ALA 116 H ALA 116 8.805 25.446 7.466 858 HA ALA 116 HA ALA 116 6.699 25.695 5.531 859 HB1 ALA 116 1HB ALA 116 6.627 24.473 8.325 860 HB2 ALA 116 2HB ALA 116 7.124 23.621 6.841 861 HB3 ALA 116 3HB ALA 116 5.455 24.197 7.017 862 H ILE 117 H ILE 117 4.674 26.584 5.711 863 HA ILE 117 HA ILE 117 4.529 29.076 7.244 864 HB ILE 117 HB ILE 117 2.533 27.696 5.395 865 HG12 ILE 117 1HG1 ILE 117 4.174 30.104 4.635 866 HG13 ILE 117 2HG1 ILE 117 4.888 28.502 4.523 867 HG21 ILE 117 1HG2 ILE 117 1.515 29.974 5.165 868 HG22 ILE 117 2HG2 ILE 117 2.634 30.580 6.405 869 HG23 ILE 117 3HG2 ILE 117 1.402 29.364 6.820 870 HD11 ILE 117 1HD1 ILE 117 3.965 29.136 2.388 871 HD12 ILE 117 2HD1 ILE 117 2.366 29.391 3.123 872 HD13 ILE 117 3HD1 ILE 117 3.071 27.753 3.062 873 H VAL 118 H VAL 118 3.217 29.405 9.106 874 HA VAL 118 HA VAL 118 2.251 27.146 10.589 875 HB VAL 118 HB VAL 118 1.466 30.103 10.750 876 HG11 VAL 118 1HG1 VAL 118 0.692 29.545 13.053 877 HG12 VAL 118 2HG1 VAL 118 0.953 27.822 12.701 878 HG13 VAL 118 3HG1 VAL 118 -0.270 28.744 11.796 879 HG21 VAL 118 1HG2 VAL 118 3.016 30.123 12.716 880 HG22 VAL 118 2HG2 VAL 118 3.855 29.758 11.196 881 HG23 VAL 118 3HG2 VAL 118 3.481 28.448 12.339 882 H LEU 119 H LEU 119 0.493 25.928 10.226 883 HA LEU 119 HA LEU 119 -1.211 26.485 7.985 884 HB2 LEU 119 1HB LEU 119 -0.559 24.237 9.005 885 HB3 LEU 119 2HB LEU 119 -1.780 24.529 10.236 886 HG LEU 119 HG LEU 119 -2.555 24.690 7.320 887 HD11 LEU 119 1HD1 LEU 119 -2.241 22.101 8.879 888 HD12 LEU 119 2HD1 LEU 119 -1.220 22.628 7.532 889 HD13 LEU 119 3HD1 LEU 119 -2.935 22.284 7.250 890 HD21 LEU 119 1HD2 LEU 119 -4.663 23.625 8.275 891 HD22 LEU 119 2HD2 LEU 119 -4.308 25.251 8.879 892 HD23 LEU 119 3HD2 LEU 119 -3.951 23.837 9.885 893 H GLN 120 H GLN 120 -3.049 27.589 7.845 894 HA GLN 120 HA GLN 120 -4.506 28.406 10.323 895 HB2 GLN 120 1HB GLN 120 -3.639 30.132 7.990 896 HB3 GLN 120 2HB GLN 120 -4.807 30.636 9.217 897 HG2 GLN 120 1HG GLN 120 -3.190 30.809 10.875 898 HG3 GLN 120 2HG GLN 120 -2.065 29.753 10.022 899 HE21 GLN 120 1HE2 GLN 120 -0.572 32.283 8.148 900 HE22 GLN 120 2HE2 GLN 120 -0.707 30.564 8.470 901 H LEU 121 H LEU 121 -6.731 28.939 9.854 902 HA LEU 121 HA LEU 121 -7.694 27.808 7.252 903 HB2 LEU 121 1HB LEU 121 -8.808 27.755 10.055 904 HB3 LEU 121 2HB LEU 121 -9.921 27.783 8.695 905 HG LEU 121 HG LEU 121 -7.776 25.671 9.056 906 HD11 LEU 121 1HD1 LEU 121 -9.660 24.237 9.791 907 HD12 LEU 121 2HD1 LEU 121 -10.726 25.653 9.766 908 HD13 LEU 121 3HD1 LEU 121 -9.361 25.598 10.891 909 HD21 LEU 121 1HD2 LEU 121 -10.275 25.681 7.294 910 HD22 LEU 121 2HD2 LEU 121 -9.069 24.382 7.415 911 HD23 LEU 121 3HD2 LEU 121 -8.618 25.942 6.705 912 HA PRO 122 HA PRO 122 -8.830 31.909 6.452 913 HB2 PRO 122 1HB PRO 122 -10.982 31.702 4.804 914 HB3 PRO 122 2HB PRO 122 -9.318 31.177 4.320 915 HG2 PRO 122 1HG PRO 122 -11.591 29.527 5.408 916 HG3 PRO 122 2HG PRO 122 -10.608 29.248 3.938 917 HD2 PRO 122 1HD PRO 122 -10.057 28.003 6.251 918 HD3 PRO 122 2HD PRO 122 -8.744 28.579 5.163 919 H GLN 123 H GLN 123 -10.569 33.580 6.548 920 HA GLN 123 HA GLN 123 -11.697 33.641 9.118 921 HB2 GLN 123 1HB GLN 123 -11.210 35.591 7.592 922 HB3 GLN 123 2HB GLN 123 -12.660 35.171 6.671 923 HG2 GLN 123 1HG GLN 123 -14.052 35.571 8.661 924 HG3 GLN 123 2HG GLN 123 -12.602 35.934 9.613 925 HE21 GLN 123 1HE2 GLN 123 -12.732 39.296 8.786 926 HE22 GLN 123 2HE2 GLN 123 -12.339 38.039 9.934 927 H GLY 124 H GLY 124 -13.567 32.985 10.005 928 HA2 GLY 124 1HA GLY 124 -15.822 32.337 10.054 929 HA3 GLY 124 2HA GLY 124 -15.832 32.216 8.288 930 H THR 125 H THR 125 -13.114 30.605 8.789 931 HA THR 125 HA THR 125 -14.569 28.025 9.176 932 HB THR 125 HB THR 125 -11.858 28.476 7.877 933 HG1 THR 125 HG1 THR 125 -13.624 29.546 6.786 934 HG21 THR 125 1HG2 THR 125 -12.362 26.307 6.848 935 HG22 THR 125 2HG2 THR 125 -13.887 26.243 7.749 936 HG23 THR 125 3HG2 THR 125 -12.345 26.171 8.617 937 H THR 126 H THR 126 -14.123 26.782 10.884 938 HA THR 126 HA THR 126 -11.742 27.468 12.544 939 HB THR 126 HB THR 126 -13.208 26.624 14.472 940 HG1 THR 126 HG1 THR 126 -15.464 26.809 14.023 941 HG21 THR 126 1HG2 THR 126 -14.299 28.778 14.757 942 HG22 THR 126 2HG2 THR 126 -14.126 29.133 13.022 943 HG23 THR 126 3HG2 THR 126 -12.681 29.016 14.059 944 H LEU 127 H LEU 127 -10.669 25.860 13.600 945 HA LEU 127 HA LEU 127 -10.617 23.264 12.327 946 HB2 LEU 127 1HB LEU 127 -9.462 24.246 14.945 947 HB3 LEU 127 2HB LEU 127 -9.127 22.676 14.283 948 HG LEU 127 HG LEU 127 -8.358 25.242 12.879 949 HD11 LEU 127 1HD1 LEU 127 -7.210 25.075 15.053 950 HD12 LEU 127 2HD1 LEU 127 -6.081 24.804 13.707 951 HD13 LEU 127 3HD1 LEU 127 -6.685 23.423 14.655 952 HD21 LEU 127 1HD2 LEU 127 -6.934 23.780 11.552 953 HD22 LEU 127 2HD2 LEU 127 -8.590 23.163 11.485 954 HD23 LEU 127 3HD2 LEU 127 -7.398 22.368 12.532 955 HA PRO 128 HA PRO 128 -13.681 21.399 14.850 956 HB2 PRO 128 1HB PRO 128 -12.928 18.775 14.984 957 HB3 PRO 128 2HB PRO 128 -13.540 19.535 13.485 958 HG2 PRO 128 1HG PRO 128 -10.738 18.958 14.317 959 HG3 PRO 128 2HG PRO 128 -11.515 18.724 12.728 960 HD2 PRO 128 1HD PRO 128 -9.902 20.859 13.382 961 HD3 PRO 128 2HD PRO 128 -11.182 20.954 12.145 962 H LYS 129 H LYS 129 -14.036 20.283 16.938 963 HA LYS 129 HA LYS 129 -12.448 21.492 18.952 964 HB2 LYS 129 1HB LYS 129 -14.846 20.738 19.147 965 HB3 LYS 129 2HB LYS 129 -14.264 19.071 19.267 966 HG2 LYS 129 1HG LYS 129 -13.061 19.612 21.332 967 HG3 LYS 129 2HG LYS 129 -13.530 21.318 21.179 968 HD2 LYS 129 1HD LYS 129 -15.918 20.655 21.330 969 HD3 LYS 129 2HD LYS 129 -15.418 18.964 21.555 970 HE2 LYS 129 1HE LYS 129 -14.181 19.604 23.603 971 HE3 LYS 129 2HE LYS 129 -14.670 21.295 23.372 972 HZ1 LYS 129 1HZ LYS 129 -16.977 20.600 23.627 973 HZ2 LYS 129 2HZ LYS 129 -16.103 20.165 24.956 974 HZ3 LYS 129 3HZ LYS 129 -16.525 19.028 23.839 975 H GLY 130 H GLY 130 -10.641 20.924 19.963 976 HA2 GLY 130 1HA GLY 130 -9.148 19.405 20.981 977 HA3 GLY 130 2HA GLY 130 -9.780 18.099 19.980 978 H PHE 131 H PHE 131 -9.285 20.558 17.802 979 HA PHE 131 HA PHE 131 -6.563 19.554 17.219 980 HB2 PHE 131 1HB PHE 131 -8.934 20.163 15.616 981 HB3 PHE 131 2HB PHE 131 -7.489 20.993 15.033 982 HD1 PHE 131 HD1 PHE 131 -9.240 17.843 15.248 983 HD2 PHE 131 HD2 PHE 131 -5.410 19.643 14.538 984 HE1 PHE 131 HE1 PHE 131 -8.478 15.776 14.126 985 HE2 PHE 131 HE2 PHE 131 -4.631 17.546 13.434 986 HZ PHE 131 HZ PHE 131 -6.175 15.626 13.225 987 H TYR 132 H TYR 132 -4.956 20.867 16.919 988 HA TYR 132 HA TYR 132 -5.380 23.790 16.806 989 HB2 TYR 132 1HB TYR 132 -3.683 24.241 18.489 990 HB3 TYR 132 2HB TYR 132 -5.016 23.324 19.190 991 HD1 TYR 132 HD1 TYR 132 -1.426 23.375 18.480 992 HD2 TYR 132 HD2 TYR 132 -4.686 20.845 19.725 993 HE1 TYR 132 HE1 TYR 132 0.194 21.732 19.432 994 HE2 TYR 132 HE2 TYR 132 -3.060 19.222 20.670 995 HH TYR 132 HH TYR 132 -0.877 18.761 21.097 996 H ALA 133 H ALA 133 -3.363 24.889 16.078 997 HA ALA 133 HA ALA 133 -1.954 23.104 14.163 998 HB1 ALA 133 1HB ALA 133 -2.436 26.108 14.101 999 HB2 ALA 133 2HB ALA 133 -3.265 24.892 13.118 1000 HB3 ALA 133 3HB ALA 133 -1.531 25.194 12.877 1001 H GLU 134 H GLU 134 0.221 23.190 13.845 1002 HA GLU 134 HA GLU 134 1.796 23.802 16.216 1003 HB2 GLU 134 1HB GLU 134 2.287 21.870 14.842 1004 HB3 GLU 134 2HB GLU 134 2.435 22.870 13.408 1005 HG2 GLU 134 1HG GLU 134 4.481 23.863 14.232 1006 HG3 GLU 134 2HG GLU 134 4.306 22.996 15.773 1007 H GLY 135 H GLY 135 2.809 25.657 16.678 1008 HA2 GLY 135 1HA GLY 135 4.005 27.624 16.243 1009 HA3 GLY 135 2HA GLY 135 3.615 27.487 14.524 1010 H SER 136 H SER 136 0.697 27.013 15.943 1011 HA SER 136 HA SER 136 -0.015 29.862 15.631 1012 HB2 SER 136 1HB SER 136 -1.281 28.123 14.375 1013 HB3 SER 136 2HB SER 136 -1.748 27.379 15.917 1014 HG SER 136 HG SER 136 -2.531 29.849 14.805 1015 H ARG 137 H ARG 137 -1.126 30.958 17.187 1016 HA ARG 137 HA ARG 137 -1.593 29.777 19.856 1017 HB2 ARG 137 1HB ARG 137 0.112 32.241 19.256 1018 HB3 ARG 137 2HB ARG 137 -0.581 31.901 20.836 1019 HG2 ARG 137 1HG ARG 137 1.429 30.127 19.410 1020 HG3 ARG 137 2HG ARG 137 1.804 31.279 20.704 1021 HD2 ARG 137 1HD ARG 137 0.287 30.031 22.239 1022 HD3 ARG 137 2HD ARG 137 -0.046 28.871 20.944 1023 HE ARG 137 HE ARG 137 2.055 27.921 21.200 1024 HH11 ARG 137 1HH1 ARG 137 1.817 30.742 23.319 1025 HH12 ARG 137 2HH1 ARG 137 3.242 30.299 24.219 1026 HH21 ARG 137 1HH2 ARG 137 3.863 27.430 22.391 1027 HH22 ARG 137 2HH2 ARG 137 4.374 28.458 23.702 1028 H GLY 138 H GLY 138 -2.980 31.339 21.086 1029 HA2 GLY 138 1HA GLY 138 -4.567 33.072 19.238 1030 HA3 GLY 138 2HA GLY 138 -5.286 32.125 20.567 1031 H GLY 139 H GLY 139 -5.536 34.966 20.412 1032 HA2 GLY 139 1HA GLY 139 -5.420 36.654 22.037 1033 HA3 GLY 139 2HA GLY 139 -4.219 35.696 22.936 1034 H SER 140 H SER 140 -3.015 37.713 23.103 1035 HA SER 140 HA SER 140 -1.372 39.184 22.536 1036 HB2 SER 140 1HB SER 140 -0.714 37.341 20.223 1037 HB3 SER 140 2HB SER 140 0.374 38.465 21.064 1038 HG SER 140 HG SER 140 -0.903 36.176 22.173 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 14.831 -0.514 8.533 2 H2 GLY 1 2H GLY 1 15.817 -0.747 7.229 3 H3 GLY 1 3H GLY 1 14.623 -1.833 7.564 4 HA2 GLY 1 1HA GLY 1 12.925 -0.210 7.113 5 HA3 GLY 1 2HA GLY 1 14.207 0.969 6.767 6 H ALA 2 H ALA 2 12.380 0.571 4.759 7 HA ALA 2 HA ALA 2 14.041 -0.680 2.683 8 HB1 ALA 2 1HB ALA 2 12.649 -2.600 3.515 9 HB2 ALA 2 2HB ALA 2 12.177 -2.117 1.872 10 HB3 ALA 2 3HB ALA 2 11.178 -1.628 3.262 11 H MET 3 H MET 3 12.812 -0.239 0.534 12 HA MET 3 HA MET 3 11.996 1.312 -0.927 13 HB2 MET 3 1HB MET 3 9.913 1.741 1.239 14 HB3 MET 3 2HB MET 3 9.767 2.218 -0.458 15 HG2 MET 3 1HG MET 3 9.904 -0.132 -1.153 16 HG3 MET 3 2HG MET 3 10.069 -0.633 0.542 17 HE1 MET 3 1HE MET 3 6.398 -1.775 -0.439 18 HE2 MET 3 2HE MET 3 7.980 -2.318 0.166 19 HE3 MET 3 3HE MET 3 7.814 -1.751 -1.515 20 H GLY 4 H GLY 4 14.149 2.345 0.424 21 HA2 GLY 4 1HA GLY 4 13.520 5.033 1.392 22 HA3 GLY 4 2HA GLY 4 15.129 4.324 1.158 23 H LEU 5 H LEU 5 12.363 4.861 -1.034 24 HA LEU 5 HA LEU 5 14.111 5.640 -3.216 25 HB2 LEU 5 1HB LEU 5 11.091 5.764 -2.864 26 HB3 LEU 5 2HB LEU 5 11.934 6.021 -4.387 27 HG LEU 5 HG LEU 5 11.968 3.416 -2.820 28 HD11 LEU 5 1HD1 LEU 5 10.435 2.594 -4.563 29 HD12 LEU 5 2HD1 LEU 5 10.387 4.213 -5.297 30 HD13 LEU 5 3HD1 LEU 5 9.723 3.950 -3.667 31 HD21 LEU 5 1HD2 LEU 5 12.849 2.466 -4.950 32 HD22 LEU 5 2HD2 LEU 5 13.957 3.652 -4.236 33 HD23 LEU 5 3HD2 LEU 5 12.944 4.108 -5.627 34 HA PRO 6 HA PRO 6 14.088 9.974 -2.460 35 HB2 PRO 6 1HB PRO 6 14.065 11.101 -4.952 36 HB3 PRO 6 2HB PRO 6 15.495 10.225 -4.314 37 HG2 PRO 6 1HG PRO 6 13.297 9.197 -6.098 38 HG3 PRO 6 2HG PRO 6 15.074 9.111 -6.336 39 HD2 PRO 6 1HD PRO 6 13.708 7.035 -5.310 40 HD3 PRO 6 2HD PRO 6 15.327 7.474 -4.665 41 H ASN 7 H ASN 7 12.719 11.866 -2.515 42 HA ASN 7 HA ASN 7 10.011 11.503 -3.671 43 HB2 ASN 7 1HB ASN 7 9.744 10.482 -1.522 44 HB3 ASN 7 2HB ASN 7 10.659 11.763 -0.717 45 HD21 ASN 7 1HD2 ASN 7 6.777 12.437 -1.800 46 HD22 ASN 7 2HD2 ASN 7 7.697 11.169 -2.582 47 H ASN 8 H ASN 8 11.689 13.629 -1.332 48 HA ASN 8 HA ASN 8 11.997 15.871 -1.224 49 HB2 ASN 8 1HB ASN 8 13.189 15.233 -3.416 50 HB3 ASN 8 2HB ASN 8 11.830 16.014 -4.233 51 HD21 ASN 8 1HD2 ASN 8 13.041 19.232 -3.661 52 HD22 ASN 8 2HD2 ASN 8 11.900 18.179 -4.476 53 H THR 9 H THR 9 9.402 15.343 -0.628 54 HA THR 9 HA THR 9 8.065 17.698 -1.751 55 HB THR 9 HB THR 9 5.913 16.573 -1.805 56 HG1 THR 9 HG1 THR 9 7.360 14.408 -0.662 57 HG21 THR 9 1HG2 THR 9 7.901 14.667 -3.094 58 HG22 THR 9 2HG2 THR 9 7.376 16.210 -3.810 59 HG23 THR 9 3HG2 THR 9 6.196 14.906 -3.546 60 H ALA 10 H ALA 10 7.244 18.852 -0.179 61 HA ALA 10 HA ALA 10 7.016 17.750 2.564 62 HB1 ALA 10 1HB ALA 10 9.302 18.805 2.323 63 HB2 ALA 10 2HB ALA 10 8.271 19.590 3.541 64 HB3 ALA 10 3HB ALA 10 8.495 20.344 1.945 65 H SER 11 H SER 11 5.355 18.657 3.725 66 HA SER 11 HA SER 11 3.284 20.011 2.315 67 HB2 SER 11 1HB SER 11 2.917 18.714 4.407 68 HB3 SER 11 2HB SER 11 3.821 19.942 5.316 69 HG SER 11 HG SER 11 1.356 20.230 3.913 70 H TRP 12 H TRP 12 2.767 22.153 2.148 71 HA TRP 12 HA TRP 12 4.862 24.087 2.443 72 HB2 TRP 12 1HB TRP 12 2.109 24.022 1.415 73 HB3 TRP 12 2HB TRP 12 2.577 25.563 2.156 74 HD1 TRP 12 HD1 TRP 12 3.153 23.488 -0.919 75 HE1 TRP 12 HE1 TRP 12 4.732 24.625 -2.533 76 HE3 TRP 12 HE3 TRP 12 4.742 27.197 2.203 77 HZ2 TRP 12 HZ2 TRP 12 6.494 26.880 -2.486 78 HZ3 TRP 12 HZ3 TRP 12 6.397 28.859 1.345 79 HH2 TRP 12 HH2 TRP 12 7.280 28.676 -0.984 80 H PHE 13 H PHE 13 2.491 22.854 4.591 81 HA PHE 13 HA PHE 13 2.773 25.260 6.312 82 HB2 PHE 13 1HB PHE 13 0.420 23.371 6.140 83 HB3 PHE 13 2HB PHE 13 0.492 24.926 6.983 84 HD1 PHE 13 HD1 PHE 13 -0.082 23.219 3.822 85 HD2 PHE 13 HD2 PHE 13 0.617 27.043 5.648 86 HE1 PHE 13 HE1 PHE 13 -0.832 24.345 1.739 87 HE2 PHE 13 HE2 PHE 13 -0.103 28.177 3.556 88 HZ PHE 13 HZ PHE 13 -0.796 26.812 1.586 89 H THR 14 H THR 14 2.401 24.902 8.599 90 HA THR 14 HA THR 14 3.983 22.675 9.555 91 HB THR 14 HB THR 14 3.406 23.518 11.791 92 HG1 THR 14 HG1 THR 14 1.973 25.183 12.049 93 HG21 THR 14 1HG2 THR 14 4.360 25.767 11.629 94 HG22 THR 14 2HG2 THR 14 4.093 25.767 9.875 95 HG23 THR 14 3HG2 THR 14 5.245 24.621 10.596 96 H ALA 15 H ALA 15 3.155 21.192 11.274 97 HA ALA 15 HA ALA 15 0.883 19.800 10.163 98 HB1 ALA 15 1HB ALA 15 2.250 19.119 12.770 99 HB2 ALA 15 2HB ALA 15 3.053 18.849 11.212 100 HB3 ALA 15 3HB ALA 15 1.518 18.030 11.561 101 H LEU 16 H LEU 16 -1.156 19.603 10.884 102 HA LEU 16 HA LEU 16 -2.042 21.225 13.203 103 HB2 LEU 16 1HB LEU 16 -3.373 19.373 11.197 104 HB3 LEU 16 2HB LEU 16 -4.185 19.849 12.670 105 HG LEU 16 HG LEU 16 -3.347 21.710 10.472 106 HD11 LEU 16 1HD1 LEU 16 -5.765 21.934 10.123 107 HD12 LEU 16 2HD1 LEU 16 -6.081 20.808 11.467 108 HD13 LEU 16 3HD1 LEU 16 -5.286 20.231 9.986 109 HD21 LEU 16 1HD2 LEU 16 -4.688 23.380 11.821 110 HD22 LEU 16 2HD2 LEU 16 -3.143 22.906 12.540 111 HD23 LEU 16 3HD2 LEU 16 -4.663 22.219 13.165 112 H THR 17 H THR 17 -2.682 20.240 15.200 113 HA THR 17 HA THR 17 -1.955 17.345 15.407 114 HB THR 17 HB THR 17 -1.470 19.474 17.505 115 HG1 THR 17 HG1 THR 17 -0.201 19.714 15.574 116 HG21 THR 17 1HG2 THR 17 0.059 17.692 18.398 117 HG22 THR 17 2HG2 THR 17 -0.616 16.569 17.192 118 HG23 THR 17 3HG2 THR 17 -1.662 17.262 18.455 119 H GLN 18 H GLN 18 -3.375 16.096 16.384 120 HA GLN 18 HA GLN 18 -5.890 17.296 17.332 121 HB2 GLN 18 1HB GLN 18 -5.887 15.364 15.791 122 HB3 GLN 18 2HB GLN 18 -4.920 14.439 16.919 123 HG2 GLN 18 1HG GLN 18 -7.220 13.691 16.952 124 HG3 GLN 18 2HG GLN 18 -6.786 14.362 18.514 125 HE21 GLN 18 1HE2 GLN 18 -10.050 15.665 16.690 126 HE22 GLN 18 2HE2 GLN 18 -9.193 14.174 16.329 127 H HIS 19 H HIS 19 -6.727 17.030 19.380 128 HA HIS 19 HA HIS 19 -5.226 15.322 21.306 129 HB2 HIS 19 1HB HIS 19 -4.651 17.694 21.835 130 HB3 HIS 19 2HB HIS 19 -6.372 18.084 21.911 131 HD1 HIS 19 HD1 HIS 19 -3.684 16.173 23.805 132 HD2 HIS 19 HD2 HIS 19 -7.651 17.363 24.247 133 HE1 HIS 19 HE1 HIS 19 -4.323 15.722 26.213 134 H GLY 20 H GLY 20 -6.724 13.691 21.134 135 HA2 GLY 20 1HA GLY 20 -9.200 13.702 22.336 136 HA3 GLY 20 2HA GLY 20 -9.529 14.272 20.684 137 H LYS 21 H LYS 21 -10.791 12.104 20.849 138 HA LYS 21 HA LYS 21 -9.053 9.731 20.526 139 HB2 LYS 21 1HB LYS 21 -12.072 10.012 20.660 140 HB3 LYS 21 2HB LYS 21 -11.188 8.484 20.564 141 HG2 LYS 21 1HG LYS 21 -10.005 9.158 22.715 142 HG3 LYS 21 2HG LYS 21 -11.175 10.484 22.851 143 HD2 LYS 21 1HD LYS 21 -11.902 7.530 22.650 144 HD3 LYS 21 2HD LYS 21 -11.795 8.443 24.167 145 HE2 LYS 21 1HE LYS 21 -13.567 9.996 23.325 146 HE3 LYS 21 2HE LYS 21 -13.720 8.994 21.865 147 HZ1 LYS 21 1HZ LYS 21 -15.370 8.395 23.522 148 HZ2 LYS 21 2HZ LYS 21 -14.202 8.061 24.638 149 HZ3 LYS 21 3HZ LYS 21 -14.338 7.131 23.283 150 H GLU 22 H GLU 22 -11.143 11.748 18.518 151 HA GLU 22 HA GLU 22 -11.105 9.777 16.322 152 HB2 GLU 22 1HB GLU 22 -12.160 12.620 16.478 153 HB3 GLU 22 2HB GLU 22 -12.385 11.523 15.114 154 HG2 GLU 22 1HG GLU 22 -13.684 9.992 16.510 155 HG3 GLU 22 2HG GLU 22 -13.396 11.005 17.935 156 H ASP 23 H ASP 23 -10.128 10.438 14.191 157 HA ASP 23 HA ASP 23 -7.507 11.579 14.804 158 HB2 ASP 23 1HB ASP 23 -8.566 9.738 12.886 159 HB3 ASP 23 2HB ASP 23 -7.769 11.039 12.029 160 H LEU 24 H LEU 24 -9.759 12.301 12.070 161 HA LEU 24 HA LEU 24 -9.847 15.119 12.414 162 HB2 LEU 24 1HB LEU 24 -7.435 15.100 11.772 163 HB3 LEU 24 2HB LEU 24 -7.817 14.158 10.345 164 HG LEU 24 HG LEU 24 -9.038 16.052 9.379 165 HD11 LEU 24 1HD1 LEU 24 -8.123 17.725 11.750 166 HD12 LEU 24 2HD1 LEU 24 -9.789 17.178 11.500 167 HD13 LEU 24 3HD1 LEU 24 -9.039 18.278 10.335 168 HD21 LEU 24 1HD2 LEU 24 -7.125 17.530 8.979 169 HD22 LEU 24 2HD2 LEU 24 -6.659 15.818 8.930 170 HD23 LEU 24 3HD2 LEU 24 -6.274 16.800 10.362 171 H LYS 25 H LYS 25 -11.369 15.947 10.997 172 HA LYS 25 HA LYS 25 -11.809 14.702 8.411 173 HB2 LYS 25 1HB LYS 25 -13.170 13.422 10.310 174 HB3 LYS 25 2HB LYS 25 -14.218 14.834 10.232 175 HG2 LYS 25 1HG LYS 25 -15.111 13.055 8.845 176 HG3 LYS 25 2HG LYS 25 -14.575 14.375 7.788 177 HD2 LYS 25 1HD LYS 25 -12.622 13.185 7.106 178 HD3 LYS 25 2HD LYS 25 -12.752 12.027 8.441 179 HE2 LYS 25 1HE LYS 25 -14.798 12.241 6.202 180 HE3 LYS 25 2HE LYS 25 -13.402 11.142 6.163 181 HZ1 LYS 25 1HZ LYS 25 -15.520 11.121 8.238 182 HZ2 LYS 25 2HZ LYS 25 -14.219 10.109 8.191 183 HZ3 LYS 25 3HZ LYS 25 -15.370 10.026 7.011 184 H PHE 26 H PHE 26 -12.704 16.269 7.032 185 HA PHE 26 HA PHE 26 -13.623 18.791 8.340 186 HB2 PHE 26 1HB PHE 26 -11.805 18.349 5.961 187 HB3 PHE 26 2HB PHE 26 -12.807 19.799 6.065 188 HD1 PHE 26 HD1 PHE 26 -9.544 19.004 6.387 189 HD2 PHE 26 HD2 PHE 26 -12.702 20.630 8.845 190 HE1 PHE 26 HE1 PHE 26 -7.864 20.114 7.834 191 HE2 PHE 26 HE2 PHE 26 -11.007 21.774 10.256 192 HZ PHE 26 HZ PHE 26 -8.577 21.513 9.753 193 HA PRO 27 HA PRO 27 -17.310 17.934 5.960 194 HB2 PRO 27 1HB PRO 27 -18.277 20.529 5.716 195 HB3 PRO 27 2HB PRO 27 -18.434 19.535 7.199 196 HG2 PRO 27 1HG PRO 27 -16.379 21.601 6.536 197 HG3 PRO 27 2HG PRO 27 -17.364 21.424 8.010 198 HD2 PRO 27 1HD PRO 27 -14.863 20.529 7.949 199 HD3 PRO 27 2HD PRO 27 -16.146 19.553 8.730 200 H ARG 28 H ARG 28 -18.164 18.210 3.836 201 HA ARG 28 HA ARG 28 -16.167 18.461 1.813 202 HB2 ARG 28 1HB ARG 28 -18.340 17.104 1.781 203 HB3 ARG 28 2HB ARG 28 -19.191 18.620 1.486 204 HG2 ARG 28 1HG ARG 28 -19.003 17.689 -0.634 205 HG3 ARG 28 2HG ARG 28 -17.659 18.843 -0.610 206 HD2 ARG 28 1HD ARG 28 -16.066 17.055 -0.177 207 HD3 ARG 28 2HD ARG 28 -17.385 15.891 0.075 208 HE ARG 28 HE ARG 28 -17.618 17.049 -2.527 209 HH11 ARG 28 1HH1 ARG 28 -15.603 14.721 -0.791 210 HH12 ARG 28 2HH1 ARG 28 -15.238 13.821 -2.239 211 HH21 ARG 28 1HH2 ARG 28 -17.094 15.856 -4.330 212 HH22 ARG 28 2HH2 ARG 28 -16.060 14.459 -4.204 213 H GLY 29 H GLY 29 -15.548 20.147 0.513 214 HA2 GLY 29 1HA GLY 29 -15.723 22.196 -0.591 215 HA3 GLY 29 2HA GLY 29 -17.265 22.500 0.227 216 H GLN 30 H GLN 30 -14.841 21.495 2.393 217 HA GLN 30 HA GLN 30 -13.925 24.221 3.025 218 HB2 GLN 30 1HB GLN 30 -16.149 23.853 4.105 219 HB3 GLN 30 2HB GLN 30 -15.539 22.383 4.844 220 HG2 GLN 30 1HG GLN 30 -13.965 24.781 5.437 221 HG3 GLN 30 2HG GLN 30 -15.636 24.843 6.000 222 HE21 GLN 30 1HE2 GLN 30 -14.700 23.145 8.892 223 HE22 GLN 30 2HE2 GLN 30 -15.339 24.598 8.167 224 H GLY 31 H GLY 31 -12.247 23.989 4.844 225 HA2 GLY 31 1HA GLY 31 -11.009 22.490 6.274 226 HA3 GLY 31 2HA GLY 31 -11.156 21.229 5.050 227 H VAL 32 H VAL 32 -10.579 23.443 3.000 228 HA VAL 32 HA VAL 32 -7.776 22.913 2.782 229 HB VAL 32 HB VAL 32 -9.504 25.089 1.483 230 HG11 VAL 32 1HG1 VAL 32 -7.699 25.075 -0.246 231 HG12 VAL 32 2HG1 VAL 32 -6.711 24.109 0.849 232 HG13 VAL 32 3HG1 VAL 32 -7.223 25.753 1.298 233 HG21 VAL 32 1HG2 VAL 32 -9.529 23.580 -0.469 234 HG22 VAL 32 2HG2 VAL 32 -10.278 22.816 0.945 235 HG23 VAL 32 3HG2 VAL 32 -8.627 22.361 0.453 236 HA PRO 33 HA PRO 33 -6.590 26.084 5.683 237 HB2 PRO 33 1HB PRO 33 -3.884 25.868 5.429 238 HB3 PRO 33 2HB PRO 33 -4.876 24.624 6.247 239 HG2 PRO 33 1HG PRO 33 -3.787 24.645 3.490 240 HG3 PRO 33 2HG PRO 33 -3.803 23.338 4.694 241 HD2 PRO 33 1HD PRO 33 -5.574 23.468 2.681 242 HD3 PRO 33 2HD PRO 33 -5.950 22.742 4.275 243 H ILE 34 H ILE 34 -5.183 28.110 5.618 244 HA ILE 34 HA ILE 34 -5.799 29.534 3.179 245 HB ILE 34 HB ILE 34 -4.039 30.334 5.522 246 HG12 ILE 34 1HG1 ILE 34 -6.886 31.076 4.802 247 HG13 ILE 34 2HG1 ILE 34 -6.428 29.894 6.031 248 HG21 ILE 34 1HG2 ILE 34 -4.179 32.621 4.653 249 HG22 ILE 34 2HG2 ILE 34 -5.228 32.087 3.312 250 HG23 ILE 34 3HG2 ILE 34 -3.523 31.588 3.381 251 HD11 ILE 34 1HD1 ILE 34 -5.918 32.845 6.047 252 HD12 ILE 34 2HD1 ILE 34 -5.142 31.705 7.173 253 HD13 ILE 34 3HD1 ILE 34 -6.902 31.886 7.167 254 H ASN 35 H ASN 35 -4.856 29.077 1.418 255 HA ASN 35 HA ASN 35 -1.992 28.301 1.418 256 HB2 ASN 35 1HB ASN 35 -4.050 28.090 -0.789 257 HB3 ASN 35 2HB ASN 35 -2.378 27.549 -0.895 258 HD21 ASN 35 1HD2 ASN 35 -4.747 24.749 -0.051 259 HD22 ASN 35 2HD2 ASN 35 -4.820 26.032 -1.227 260 H THR 36 H THR 36 -1.169 30.373 1.781 261 HA THR 36 HA THR 36 -1.807 32.675 0.199 262 HB THR 36 HB THR 36 0.306 33.577 1.154 263 HG1 THR 36 HG1 THR 36 1.651 32.211 2.299 264 HG21 THR 36 1HG2 THR 36 -0.254 33.387 3.486 265 HG22 THR 36 2HG2 THR 36 -1.104 31.849 3.213 266 HG23 THR 36 3HG2 THR 36 -1.779 33.371 2.574 267 H ASN 37 H ASN 37 -0.022 29.905 -0.505 268 HA ASN 37 HA ASN 37 1.594 31.248 -2.627 269 HB2 ASN 37 1HB ASN 37 3.000 29.196 -2.489 270 HB3 ASN 37 2HB ASN 37 2.879 30.041 -0.940 271 HD21 ASN 37 1HD2 ASN 37 1.693 27.287 0.756 272 HD22 ASN 37 2HD2 ASN 37 2.478 28.850 0.766 273 H SER 38 H SER 38 -1.370 30.259 -2.775 274 HA SER 38 HA SER 38 -0.929 28.613 -5.225 275 HB2 SER 38 1HB SER 38 -2.922 27.984 -3.027 276 HB3 SER 38 2HB SER 38 -2.715 27.085 -4.530 277 HG SER 38 HG SER 38 -0.359 27.371 -3.207 278 H SER 39 H SER 39 -2.446 28.748 -6.824 279 HA SER 39 HA SER 39 -4.108 31.122 -6.961 280 HB2 SER 39 1HB SER 39 -4.549 28.815 -8.807 281 HB3 SER 39 2HB SER 39 -4.245 30.525 -9.187 282 HG SER 39 HG SER 39 -2.488 28.407 -8.925 283 HA PRO 40 HA PRO 40 -7.768 29.402 -5.325 284 HB2 PRO 40 1HB PRO 40 -9.835 29.881 -7.057 285 HB3 PRO 40 2HB PRO 40 -9.048 31.169 -6.082 286 HG2 PRO 40 1HG PRO 40 -8.491 30.388 -8.932 287 HG3 PRO 40 2HG PRO 40 -8.856 32.009 -8.256 288 HD2 PRO 40 1HD PRO 40 -6.317 31.248 -8.686 289 HD3 PRO 40 2HD PRO 40 -6.749 32.170 -7.202 290 H ASP 41 H ASP 41 -7.048 28.575 -8.673 291 HA ASP 41 HA ASP 41 -8.554 26.200 -8.979 292 HB2 ASP 41 1HB ASP 41 -5.742 26.737 -10.010 293 HB3 ASP 41 2HB ASP 41 -6.985 25.738 -10.768 294 H ASP 42 H ASP 42 -5.621 26.928 -7.249 295 HA ASP 42 HA ASP 42 -4.751 24.130 -7.123 296 HB2 ASP 42 1HB ASP 42 -3.485 26.751 -6.408 297 HB3 ASP 42 2HB ASP 42 -2.746 25.198 -6.023 298 H GLN 43 H GLN 43 -6.791 25.967 -5.256 299 HA GLN 43 HA GLN 43 -5.859 25.498 -2.618 300 HB2 GLN 43 1HB GLN 43 -8.686 25.668 -3.705 301 HB3 GLN 43 2HB GLN 43 -8.254 25.782 -2.007 302 HG2 GLN 43 1HG GLN 43 -7.481 27.692 -4.194 303 HG3 GLN 43 2HG GLN 43 -8.619 27.998 -2.885 304 HE21 GLN 43 1HE2 GLN 43 -4.796 28.913 -2.480 305 HE22 GLN 43 2HE2 GLN 43 -5.616 28.615 -3.988 306 H ILE 44 H ILE 44 -7.500 23.304 -4.822 307 HA ILE 44 HA ILE 44 -8.541 21.469 -2.948 308 HB ILE 44 HB ILE 44 -9.109 21.595 -5.351 309 HG12 ILE 44 1HG1 ILE 44 -8.122 18.827 -4.675 310 HG13 ILE 44 2HG1 ILE 44 -9.546 19.565 -3.939 311 HG21 ILE 44 1HG2 ILE 44 -6.413 20.303 -5.810 312 HG22 ILE 44 2HG2 ILE 44 -6.872 21.960 -6.259 313 HG23 ILE 44 3HG2 ILE 44 -7.646 20.579 -7.034 314 HD11 ILE 44 1HD1 ILE 44 -10.265 18.183 -5.777 315 HD12 ILE 44 2HD1 ILE 44 -9.106 18.947 -6.876 316 HD13 ILE 44 3HD1 ILE 44 -10.500 19.885 -6.248 317 H GLY 45 H GLY 45 -7.862 19.638 -1.943 318 HA2 GLY 45 1HA GLY 45 -5.416 18.303 -2.487 319 HA3 GLY 45 2HA GLY 45 -5.121 19.498 -1.219 320 H TYR 46 H TYR 46 -4.614 17.794 0.216 321 HA TYR 46 HA TYR 46 -7.004 16.829 1.615 322 HB2 TYR 46 1HB TYR 46 -6.381 14.493 1.553 323 HB3 TYR 46 2HB TYR 46 -6.553 15.068 -0.099 324 HD1 TYR 46 HD1 TYR 46 -4.548 15.342 -1.547 325 HD2 TYR 46 HD2 TYR 46 -4.275 13.850 2.478 326 HE1 TYR 46 HE1 TYR 46 -2.251 14.492 -2.034 327 HE2 TYR 46 HE2 TYR 46 -1.975 12.977 1.960 328 HH TYR 46 HH TYR 46 -0.298 12.814 0.434 329 H TYR 47 H TYR 47 -6.228 15.664 3.694 330 HA TYR 47 HA TYR 47 -3.531 16.746 4.475 331 HB2 TYR 47 1HB TYR 47 -5.923 16.119 6.195 332 HB3 TYR 47 2HB TYR 47 -4.319 16.392 6.819 333 HD1 TYR 47 HD1 TYR 47 -6.790 18.207 4.570 334 HD2 TYR 47 HD2 TYR 47 -3.813 18.465 7.675 335 HE1 TYR 47 HE1 TYR 47 -7.264 20.614 4.844 336 HE2 TYR 47 HE2 TYR 47 -4.313 20.881 7.930 337 HH TYR 47 HH TYR 47 -6.901 22.493 6.094 338 H ARG 48 H ARG 48 -2.104 15.336 5.361 339 HA ARG 48 HA ARG 48 -2.848 12.449 5.149 340 HB2 ARG 48 1HB ARG 48 -1.058 13.488 3.632 341 HB3 ARG 48 2HB ARG 48 -0.056 13.651 5.071 342 HG2 ARG 48 1HG ARG 48 -0.033 11.260 5.421 343 HG3 ARG 48 2HG ARG 48 -1.259 11.023 4.170 344 HD2 ARG 48 1HD ARG 48 0.367 12.012 2.510 345 HD3 ARG 48 2HD ARG 48 1.600 11.927 3.788 346 HE ARG 48 HE ARG 48 0.319 9.388 3.552 347 HH11 ARG 48 1HH1 ARG 48 2.551 11.410 1.702 348 HH12 ARG 48 2HH1 ARG 48 3.278 10.038 0.910 349 HH21 ARG 48 1HH2 ARG 48 1.314 7.692 2.528 350 HH22 ARG 48 2HH2 ARG 48 2.587 7.971 1.369 351 H ARG 49 H ARG 49 -2.786 11.247 6.905 352 HA ARG 49 HA ARG 49 -2.177 12.263 9.531 353 HB2 ARG 49 1HB ARG 49 -3.734 10.378 8.771 354 HB3 ARG 49 2HB ARG 49 -2.301 9.378 8.575 355 HG2 ARG 49 1HG ARG 49 -1.847 9.587 11.004 356 HG3 ARG 49 2HG ARG 49 -3.324 10.575 11.163 357 HD2 ARG 49 1HD ARG 49 -4.572 8.666 10.029 358 HD3 ARG 49 2HD ARG 49 -3.110 7.693 10.213 359 HE ARG 49 HE ARG 49 -4.576 8.902 12.540 360 HH11 ARG 49 1HH1 ARG 49 -3.070 6.054 11.041 361 HH12 ARG 49 2HH1 ARG 49 -3.347 5.069 12.451 362 HH21 ARG 49 1HH2 ARG 49 -4.944 7.578 14.232 363 HH22 ARG 49 2HH2 ARG 49 -4.362 5.923 14.245 364 H ALA 50 H ALA 50 -0.298 12.177 10.726 365 HA ALA 50 HA ALA 50 1.871 10.350 9.896 366 HB1 ALA 50 1HB ALA 50 2.292 12.380 8.542 367 HB2 ALA 50 2HB ALA 50 3.531 12.212 9.810 368 HB3 ALA 50 3HB ALA 50 2.203 13.384 10.010 369 H THR 51 H THR 51 3.204 9.774 11.635 370 HA THR 51 HA THR 51 3.121 11.424 14.068 371 HB THR 51 HB THR 51 1.220 9.894 14.455 372 HG1 THR 51 HG1 THR 51 1.882 9.412 16.461 373 HG21 THR 51 1HG2 THR 51 1.566 7.480 14.708 374 HG22 THR 51 2HG2 THR 51 3.254 7.646 14.184 375 HG23 THR 51 3HG2 THR 51 1.927 7.983 13.046 376 H ARG 52 H ARG 52 4.843 10.989 15.482 377 HA ARG 52 HA ARG 52 6.835 8.971 14.843 378 HB2 ARG 52 1HB ARG 52 7.038 11.044 13.143 379 HB3 ARG 52 2HB ARG 52 7.832 11.801 14.519 380 HG2 ARG 52 1HG ARG 52 9.600 10.904 13.310 381 HG3 ARG 52 2HG ARG 52 9.326 9.661 14.549 382 HD2 ARG 52 1HD ARG 52 8.063 8.303 12.967 383 HD3 ARG 52 2HD ARG 52 8.102 9.605 11.763 384 HE ARG 52 HE ARG 52 10.772 8.901 12.477 385 HH11 ARG 52 1HH1 ARG 52 8.050 7.613 10.634 386 HH12 ARG 52 2HH1 ARG 52 9.084 6.711 9.558 387 HH21 ARG 52 1HH2 ARG 52 12.030 7.726 11.062 388 HH22 ARG 52 2HH2 ARG 52 11.295 6.775 9.801 389 H ARG 53 H ARG 53 7.697 8.484 16.825 390 HA ARG 53 HA ARG 53 7.799 10.712 18.813 391 HB2 ARG 53 1HB ARG 53 7.773 9.157 20.576 392 HB3 ARG 53 2HB ARG 53 6.443 8.724 19.506 393 HG2 ARG 53 1HG ARG 53 7.355 6.699 18.986 394 HG3 ARG 53 2HG ARG 53 9.029 7.297 19.066 395 HD2 ARG 53 1HD ARG 53 9.025 7.295 21.452 396 HD3 ARG 53 2HD ARG 53 7.282 7.048 21.508 397 HE ARG 53 HE ARG 53 7.559 4.768 21.116 398 HH11 ARG 53 1HH1 ARG 53 10.702 6.354 20.773 399 HH12 ARG 53 2HH1 ARG 53 11.564 4.839 20.764 400 HH21 ARG 53 1HH2 ARG 53 8.734 2.886 21.126 401 HH22 ARG 53 2HH2 ARG 53 10.468 2.915 20.969 402 H ILE 54 H ILE 54 9.637 10.711 20.208 403 HA ILE 54 HA ILE 54 12.142 9.668 19.059 404 HB ILE 54 HB ILE 54 13.192 11.814 18.834 405 HG12 ILE 54 1HG1 ILE 54 12.459 12.975 20.812 406 HG13 ILE 54 2HG1 ILE 54 12.174 13.970 19.404 407 HG21 ILE 54 1HG2 ILE 54 11.929 13.031 17.146 408 HG22 ILE 54 2HG2 ILE 54 10.396 12.317 17.696 409 HG23 ILE 54 3HG2 ILE 54 11.640 11.292 16.936 410 HD11 ILE 54 1HD1 ILE 54 9.756 13.395 19.487 411 HD12 ILE 54 2HD1 ILE 54 10.361 14.233 20.932 412 HD13 ILE 54 3HD1 ILE 54 10.090 12.482 20.986 413 H ARG 55 H ARG 55 13.906 10.667 20.755 414 HA ARG 55 HA ARG 55 12.727 10.827 23.487 415 HB2 ARG 55 1HB ARG 55 14.321 8.604 22.426 416 HB3 ARG 55 2HB ARG 55 15.169 9.432 23.736 417 HG2 ARG 55 1HG ARG 55 13.116 9.159 25.159 418 HG3 ARG 55 2HG ARG 55 12.423 8.151 23.870 419 HD2 ARG 55 1HD ARG 55 14.410 6.647 24.027 420 HD3 ARG 55 2HD ARG 55 15.039 7.632 25.356 421 HE ARG 55 HE ARG 55 12.831 5.698 25.451 422 HH11 ARG 55 1HH1 ARG 55 14.452 8.319 27.188 423 HH12 ARG 55 2HH1 ARG 55 13.780 7.831 28.720 424 HH21 ARG 55 1HH2 ARG 55 12.043 5.130 27.447 425 HH22 ARG 55 2HH2 ARG 55 12.450 6.064 28.859 426 H GLY 56 H GLY 56 13.553 12.639 24.399 427 HA2 GLY 56 1HA GLY 56 15.946 13.871 23.192 428 HA3 GLY 56 2HA GLY 56 14.921 14.542 24.488 429 H GLY 57 H GLY 57 17.626 14.676 24.883 430 HA2 GLY 57 1HA GLY 57 18.583 12.310 26.329 431 HA3 GLY 57 2HA GLY 57 19.397 13.892 26.211 432 H ASP 58 H ASP 58 16.985 15.298 26.862 433 HA ASP 58 HA ASP 58 17.111 15.403 29.761 434 HB2 ASP 58 1HB ASP 58 16.841 17.277 28.009 435 HB3 ASP 58 2HB ASP 58 15.178 16.717 27.804 436 H GLY 59 H GLY 59 15.604 13.428 27.540 437 HA2 GLY 59 1HA GLY 59 14.295 11.571 28.049 438 HA3 GLY 59 2HA GLY 59 13.805 12.328 29.570 439 H LYS 60 H LYS 60 13.294 14.784 27.571 440 HA LYS 60 HA LYS 60 10.460 14.293 27.552 441 HB2 LYS 60 1HB LYS 60 12.195 16.551 26.515 442 HB3 LYS 60 2HB LYS 60 10.446 16.498 26.239 443 HG2 LYS 60 1HG LYS 60 10.198 17.494 28.234 444 HG3 LYS 60 2HG LYS 60 10.660 15.939 28.944 445 HD2 LYS 60 1HD LYS 60 13.113 16.872 28.541 446 HD3 LYS 60 2HD LYS 60 12.269 18.437 28.621 447 HE2 LYS 60 1HE LYS 60 11.149 17.284 30.768 448 HE3 LYS 60 2HE LYS 60 12.629 16.298 30.711 449 HZ1 LYS 60 1HZ LYS 60 12.924 18.218 32.135 450 HZ2 LYS 60 2HZ LYS 60 12.540 19.262 30.915 451 HZ3 LYS 60 3HZ LYS 60 13.918 18.360 30.826 452 H MET 61 H MET 61 9.150 13.812 26.011 453 HA MET 61 HA MET 61 10.215 13.215 23.309 454 HB2 MET 61 1HB MET 61 9.024 11.121 23.310 455 HB3 MET 61 2HB MET 61 10.157 11.166 24.659 456 HG2 MET 61 1HG MET 61 8.337 11.631 26.217 457 HG3 MET 61 2HG MET 61 7.166 11.633 24.880 458 HE1 MET 61 1HE MET 61 7.721 9.381 22.987 459 HE2 MET 61 2HE MET 61 6.144 9.498 23.813 460 HE3 MET 61 3HE MET 61 6.997 7.944 23.760 461 H LYS 62 H LYS 62 8.385 12.807 21.770 462 HA LYS 62 HA LYS 62 6.605 15.085 21.823 463 HB2 LYS 62 1HB LYS 62 7.400 13.001 19.919 464 HB3 LYS 62 2HB LYS 62 5.784 13.686 19.725 465 HG2 LYS 62 1HG LYS 62 6.758 15.948 19.863 466 HG3 LYS 62 2HG LYS 62 8.376 15.200 19.855 467 HD2 LYS 62 1HD LYS 62 7.987 14.227 17.766 468 HD3 LYS 62 2HD LYS 62 6.272 14.664 17.830 469 HE2 LYS 62 1HE LYS 62 7.633 16.142 16.330 470 HE3 LYS 62 2HE LYS 62 6.745 16.991 17.603 471 HZ1 LYS 62 1HZ LYS 62 8.970 17.854 17.377 472 HZ2 LYS 62 2HZ LYS 62 9.637 16.374 17.672 473 HZ3 LYS 62 3HZ LYS 62 8.796 17.154 18.858 474 H ASP 63 H ASP 63 6.016 11.611 21.556 475 HA ASP 63 HA ASP 63 4.170 10.315 21.927 476 HB2 ASP 63 1HB ASP 63 4.824 11.256 24.263 477 HB3 ASP 63 2HB ASP 63 3.338 12.200 24.127 478 H LEU 64 H LEU 64 1.645 11.632 23.158 479 HA LEU 64 HA LEU 64 -0.325 12.442 22.499 480 HB2 LEU 64 1HB LEU 64 1.641 14.230 21.213 481 HB3 LEU 64 2HB LEU 64 -0.026 14.413 20.681 482 HG LEU 64 HG LEU 64 0.713 14.393 23.616 483 HD11 LEU 64 1HD1 LEU 64 0.816 16.854 23.498 484 HD12 LEU 64 2HD1 LEU 64 0.691 16.765 21.723 485 HD13 LEU 64 3HD1 LEU 64 2.103 16.070 22.558 486 HD21 LEU 64 1HD2 LEU 64 -1.357 15.753 23.808 487 HD22 LEU 64 2HD2 LEU 64 -1.676 14.158 23.098 488 HD23 LEU 64 3HD2 LEU 64 -1.616 15.600 22.051 489 H SER 65 H SER 65 -1.816 13.099 20.657 490 HA SER 65 HA SER 65 -2.214 10.784 19.022 491 HB2 SER 65 1HB SER 65 -3.463 13.557 18.871 492 HB3 SER 65 2HB SER 65 -4.131 12.080 18.156 493 HG SER 65 HG SER 65 -5.089 11.850 20.015 494 HA PRO 66 HA PRO 66 0.049 11.800 15.427 495 HB2 PRO 66 1HB PRO 66 -1.640 11.342 13.298 496 HB3 PRO 66 2HB PRO 66 -0.919 10.025 14.278 497 HG2 PRO 66 1HG PRO 66 -3.598 11.332 14.579 498 HG3 PRO 66 2HG PRO 66 -3.204 9.588 14.418 499 HD2 PRO 66 1HD PRO 66 -3.613 10.627 16.816 500 HD3 PRO 66 2HD PRO 66 -2.226 9.510 16.568 501 H ARG 67 H ARG 67 0.345 13.201 13.641 502 HA ARG 67 HA ARG 67 -1.229 15.728 13.903 503 HB2 ARG 67 1HB ARG 67 1.452 15.576 12.554 504 HB3 ARG 67 2HB ARG 67 0.718 16.912 13.446 505 HG2 ARG 67 1HG ARG 67 1.074 15.482 15.556 506 HG3 ARG 67 2HG ARG 67 2.094 14.453 14.526 507 HD2 ARG 67 1HD ARG 67 3.654 15.901 15.428 508 HD3 ARG 67 2HD ARG 67 3.272 16.697 13.887 509 HE ARG 67 HE ARG 67 1.524 17.663 15.949 510 HH11 ARG 67 1HH1 ARG 67 4.880 17.978 14.892 511 HH12 ARG 67 2HH1 ARG 67 5.060 19.559 15.633 512 HH21 ARG 67 1HH2 ARG 67 1.841 19.629 16.885 513 HH22 ARG 67 2HH2 ARG 67 3.386 20.459 16.770 514 H TRP 68 H TRP 68 -1.517 16.898 11.832 515 HA TRP 68 HA TRP 68 -1.545 15.021 9.503 516 HB2 TRP 68 1HB TRP 68 -3.701 16.908 10.471 517 HB3 TRP 68 2HB TRP 68 -3.669 16.231 8.840 518 HD1 TRP 68 HD1 TRP 68 -3.755 14.892 12.512 519 HE1 TRP 68 HE1 TRP 68 -5.029 12.686 12.603 520 HE3 TRP 68 HE3 TRP 68 -4.654 14.373 7.499 521 HZ2 TRP 68 HZ2 TRP 68 -6.297 10.957 10.745 522 HZ3 TRP 68 HZ3 TRP 68 -5.982 12.400 6.718 523 HH2 TRP 68 HH2 TRP 68 -6.814 10.714 8.378 524 H TYR 69 H TYR 69 -0.767 15.787 7.657 525 HA TYR 69 HA TYR 69 0.148 18.658 7.609 526 HB2 TYR 69 1HB TYR 69 1.263 16.120 6.346 527 HB3 TYR 69 2HB TYR 69 1.830 17.739 5.956 528 HD1 TYR 69 HD1 TYR 69 1.515 15.325 8.847 529 HD2 TYR 69 HD2 TYR 69 3.537 18.781 7.244 530 HE1 TYR 69 HE1 TYR 69 3.191 15.212 10.683 531 HE2 TYR 69 HE2 TYR 69 5.219 18.633 9.080 532 HH TYR 69 HH TYR 69 5.084 16.067 11.568 533 H PHE 70 H PHE 70 -0.365 19.839 5.696 534 HA PHE 70 HA PHE 70 -2.510 18.633 4.078 535 HB2 PHE 70 1HB PHE 70 -2.902 20.865 4.963 536 HB3 PHE 70 2HB PHE 70 -1.411 21.455 4.219 537 HD1 PHE 70 HD1 PHE 70 -1.419 22.315 2.023 538 HD2 PHE 70 HD2 PHE 70 -4.742 19.945 3.364 539 HE1 PHE 70 HE1 PHE 70 -2.659 22.892 -0.054 540 HE2 PHE 70 HE2 PHE 70 -5.978 20.496 1.273 541 HZ PHE 70 HZ PHE 70 -4.941 21.978 -0.440 542 H TYR 71 H TYR 71 -2.364 18.105 2.010 543 HA TYR 71 HA TYR 71 0.137 18.745 0.514 544 HB2 TYR 71 1HB TYR 71 -0.875 16.199 1.572 545 HB3 TYR 71 2HB TYR 71 -0.478 16.141 -0.169 546 HD1 TYR 71 HD1 TYR 71 0.884 16.897 3.234 547 HD2 TYR 71 HD2 TYR 71 1.830 16.057 -0.875 548 HE1 TYR 71 HE1 TYR 71 3.285 16.641 3.834 549 HE2 TYR 71 HE2 TYR 71 4.236 15.794 -0.262 550 HH TYR 71 HH TYR 71 5.792 15.792 1.445 551 H TYR 72 H TYR 72 -0.242 18.800 -1.752 552 HA TYR 72 HA TYR 72 -2.981 19.578 -2.364 553 HB2 TYR 72 1HB TYR 72 -0.430 19.601 -4.007 554 HB3 TYR 72 2HB TYR 72 -1.978 20.277 -4.527 555 HD1 TYR 72 HD1 TYR 72 -2.765 22.409 -3.701 556 HD2 TYR 72 HD2 TYR 72 0.789 20.639 -2.029 557 HE1 TYR 72 HE1 TYR 72 -2.250 24.538 -2.517 558 HE2 TYR 72 HE2 TYR 72 1.265 22.761 -0.818 559 HH TYR 72 HH TYR 72 -0.649 25.689 -1.274 560 H LEU 73 H LEU 73 -4.116 18.916 -4.325 561 HA LEU 73 HA LEU 73 -4.441 16.091 -4.452 562 HB2 LEU 73 1HB LEU 73 -6.234 17.595 -5.055 563 HB3 LEU 73 2HB LEU 73 -5.264 18.339 -6.311 564 HG LEU 73 HG LEU 73 -5.520 16.491 -7.755 565 HD11 LEU 73 1HD1 LEU 73 -5.425 14.595 -6.125 566 HD12 LEU 73 2HD1 LEU 73 -6.754 14.450 -7.271 567 HD13 LEU 73 3HD1 LEU 73 -7.070 15.012 -5.617 568 HD21 LEU 73 1HD2 LEU 73 -8.162 16.973 -6.535 569 HD22 LEU 73 2HD2 LEU 73 -7.816 16.425 -8.187 570 HD23 LEU 73 3HD2 LEU 73 -7.319 18.048 -7.678 571 H GLY 74 H GLY 74 -3.421 14.542 -5.496 572 HA2 GLY 74 1HA GLY 74 -2.218 13.481 -7.143 573 HA3 GLY 74 2HA GLY 74 -2.133 14.995 -8.039 574 H THR 75 H THR 75 -0.884 14.831 -4.699 575 HA THR 75 HA THR 75 1.793 15.390 -5.843 576 HB THR 75 HB THR 75 2.370 15.495 -3.290 577 HG1 THR 75 HG1 THR 75 -0.430 15.942 -3.073 578 HG21 THR 75 1HG2 THR 75 2.253 17.516 -4.588 579 HG22 THR 75 2HG2 THR 75 1.357 17.772 -3.079 580 HG23 THR 75 3HG2 THR 75 0.472 17.474 -4.594 581 H GLY 76 H GLY 76 3.596 14.123 -5.492 582 HA2 GLY 76 1HA GLY 76 4.733 12.201 -4.630 583 HA3 GLY 76 2HA GLY 76 3.171 11.401 -4.344 584 HA PRO 77 HA PRO 77 4.836 11.121 -8.862 585 HB2 PRO 77 1HB PRO 77 6.557 8.982 -8.960 586 HB3 PRO 77 2HB PRO 77 7.076 10.653 -8.613 587 HG2 PRO 77 1HG PRO 77 6.487 8.452 -6.657 588 HG3 PRO 77 2HG PRO 77 7.929 9.513 -6.762 589 HD2 PRO 77 1HD PRO 77 5.919 10.056 -5.051 590 HD3 PRO 77 2HD PRO 77 6.763 11.375 -5.937 591 H GLU 78 H GLU 78 4.472 8.236 -6.812 592 HA GLU 78 HA GLU 78 2.750 6.997 -8.926 593 HB2 GLU 78 1HB GLU 78 4.372 5.714 -6.696 594 HB3 GLU 78 2HB GLU 78 3.353 4.843 -7.852 595 HG2 GLU 78 1HG GLU 78 4.773 5.610 -9.707 596 HG3 GLU 78 2HG GLU 78 5.793 6.506 -8.567 597 H ALA 79 H ALA 79 1.842 9.015 -7.143 598 HA ALA 79 HA ALA 79 0.684 7.925 -4.771 599 HB1 ALA 79 1HB ALA 79 -0.652 9.998 -4.759 600 HB2 ALA 79 2HB ALA 79 -0.163 10.328 -6.439 601 HB3 ALA 79 3HB ALA 79 1.052 10.321 -5.149 602 H GLY 80 H GLY 80 -0.607 8.383 -8.065 603 HA2 GLY 80 1HA GLY 80 -2.458 7.493 -9.103 604 HA3 GLY 80 2HA GLY 80 -2.305 6.141 -7.972 605 H LEU 81 H LEU 81 -2.953 9.471 -6.882 606 HA LEU 81 HA LEU 81 -5.547 8.463 -5.895 607 HB2 LEU 81 1HB LEU 81 -3.490 10.398 -4.868 608 HB3 LEU 81 2HB LEU 81 -5.146 10.483 -4.335 609 HG LEU 81 HG LEU 81 -3.344 8.096 -3.958 610 HD11 LEU 81 1HD1 LEU 81 -2.702 10.101 -2.650 611 HD12 LEU 81 2HD1 LEU 81 -3.322 8.813 -1.608 612 HD13 LEU 81 3HD1 LEU 81 -4.355 10.198 -2.000 613 HD21 LEU 81 1HD2 LEU 81 -5.160 7.288 -2.453 614 HD22 LEU 81 2HD2 LEU 81 -5.696 7.403 -4.142 615 HD23 LEU 81 3HD2 LEU 81 -6.172 8.645 -2.961 616 HA PRO 82 HA PRO 82 -7.282 11.886 -8.288 617 HB2 PRO 82 1HB PRO 82 -9.717 10.717 -8.653 618 HB3 PRO 82 2HB PRO 82 -8.304 10.261 -9.661 619 HG2 PRO 82 1HG PRO 82 -9.466 8.872 -7.269 620 HG3 PRO 82 2HG PRO 82 -8.892 8.180 -8.806 621 HD2 PRO 82 1HD PRO 82 -7.439 8.190 -6.533 622 HD3 PRO 82 2HD PRO 82 -6.727 8.161 -8.160 623 H TYR 83 H TYR 83 -9.219 13.235 -7.566 624 HA TYR 83 HA TYR 83 -9.138 13.558 -4.744 625 HB2 TYR 83 1HB TYR 83 -9.677 15.326 -6.416 626 HB3 TYR 83 2HB TYR 83 -11.235 14.547 -6.701 627 HD1 TYR 83 HD1 TYR 83 -9.144 16.211 -4.076 628 HD2 TYR 83 HD2 TYR 83 -13.094 15.002 -5.267 629 HE1 TYR 83 HE1 TYR 83 -10.111 17.498 -2.184 630 HE2 TYR 83 HE2 TYR 83 -14.051 16.309 -3.369 631 HH TYR 83 HH TYR 83 -13.637 17.672 -1.610 632 H GLY 84 H GLY 84 -10.233 12.629 -3.131 633 HA2 GLY 84 1HA GLY 84 -12.159 11.758 -2.097 634 HA3 GLY 84 2HA GLY 84 -12.870 11.417 -3.675 635 H ALA 85 H ALA 85 -9.818 10.173 -3.997 636 HA ALA 85 HA ALA 85 -10.753 7.476 -3.717 637 HB1 ALA 85 1HB ALA 85 -9.072 7.826 -5.279 638 HB2 ALA 85 2HB ALA 85 -8.277 6.942 -3.964 639 HB3 ALA 85 3HB ALA 85 -8.037 8.701 -4.132 640 H ASN 86 H ASN 86 -10.824 6.111 -2.163 641 HA ASN 86 HA ASN 86 -10.287 6.923 0.544 642 HB2 ASN 86 1HB ASN 86 -11.096 4.324 -0.787 643 HB3 ASN 86 2HB ASN 86 -10.846 4.446 0.965 644 HD21 ASN 86 1HD2 ASN 86 -14.395 5.300 -0.420 645 HD22 ASN 86 2HD2 ASN 86 -13.214 4.232 -1.136 646 H LYS 87 H LYS 87 -8.499 6.725 1.726 647 HA LYS 87 HA LYS 87 -6.654 4.483 1.346 648 HB2 LYS 87 1HB LYS 87 -5.881 6.189 -0.312 649 HB3 LYS 87 2HB LYS 87 -5.723 7.347 0.979 650 HG2 LYS 87 1HG LYS 87 -3.834 6.331 1.896 651 HG3 LYS 87 2HG LYS 87 -4.230 4.735 1.208 652 HD2 LYS 87 1HD LYS 87 -3.411 7.109 -0.456 653 HD3 LYS 87 2HD LYS 87 -2.247 5.951 0.182 654 HE2 LYS 87 1HE LYS 87 -3.360 4.112 -1.062 655 HE3 LYS 87 2HE LYS 87 -4.578 5.238 -1.676 656 HZ1 LYS 87 1HZ LYS 87 -2.857 4.812 -3.330 657 HZ2 LYS 87 2HZ LYS 87 -1.676 5.364 -2.323 658 HZ3 LYS 87 3HZ LYS 87 -2.822 6.400 -2.900 659 H ASP 88 H ASP 88 -5.284 4.328 3.279 660 HA ASP 88 HA ASP 88 -6.671 5.268 5.622 661 HB2 ASP 88 1HB ASP 88 -5.373 3.164 5.638 662 HB3 ASP 88 2HB ASP 88 -3.883 4.087 5.377 663 H GLY 89 H GLY 89 -6.342 6.967 6.894 664 HA2 GLY 89 1HA GLY 89 -5.393 8.874 7.750 665 HA3 GLY 89 2HA GLY 89 -3.852 8.356 7.059 666 H ILE 90 H ILE 90 -6.639 8.803 4.958 667 HA ILE 90 HA ILE 90 -5.461 11.398 4.058 668 HB ILE 90 HB ILE 90 -6.645 9.188 2.285 669 HG12 ILE 90 1HG1 ILE 90 -4.384 8.637 3.082 670 HG13 ILE 90 2HG1 ILE 90 -4.427 8.936 1.354 671 HG21 ILE 90 1HG2 ILE 90 -5.814 10.724 0.407 672 HG22 ILE 90 2HG2 ILE 90 -5.570 11.983 1.644 673 HG23 ILE 90 3HG2 ILE 90 -7.198 11.348 1.323 674 HD11 ILE 90 1HD1 ILE 90 -3.274 10.933 1.517 675 HD12 ILE 90 2HD1 ILE 90 -2.462 9.829 2.644 676 HD13 ILE 90 3HD1 ILE 90 -3.565 11.088 3.267 677 H ILE 91 H ILE 91 -6.801 13.026 4.063 678 HA ILE 91 HA ILE 91 -9.724 12.462 3.751 679 HB ILE 91 HB ILE 91 -10.222 14.330 5.328 680 HG12 ILE 91 1HG1 ILE 91 -7.752 14.247 6.837 681 HG13 ILE 91 2HG1 ILE 91 -7.415 14.762 5.211 682 HG21 ILE 91 1HG2 ILE 91 -9.893 13.051 7.389 683 HG22 ILE 91 2HG2 ILE 91 -8.631 12.064 6.613 684 HG23 ILE 91 3HG2 ILE 91 -10.315 11.945 6.060 685 HD11 ILE 91 1HD1 ILE 91 -7.912 16.664 6.709 686 HD12 ILE 91 2HD1 ILE 91 -9.549 16.022 6.957 687 HD13 ILE 91 3HD1 ILE 91 -9.026 16.557 5.336 688 H TRP 92 H TRP 92 -10.449 13.368 1.963 689 HA TRP 92 HA TRP 92 -8.828 15.366 0.596 690 HB2 TRP 92 1HB TRP 92 -11.431 13.973 -0.085 691 HB3 TRP 92 2HB TRP 92 -10.577 15.081 -1.161 692 HD1 TRP 92 HD1 TRP 92 -10.487 11.526 0.095 693 HE1 TRP 92 HE1 TRP 92 -8.655 10.193 -1.046 694 HE3 TRP 92 HE3 TRP 92 -8.113 15.443 -2.182 695 HZ2 TRP 92 HZ2 TRP 92 -6.449 10.754 -2.737 696 HZ3 TRP 92 HZ3 TRP 92 -6.085 14.966 -3.558 697 HH2 TRP 92 HH2 TRP 92 -5.269 12.621 -3.850 698 H VAL 93 H VAL 93 -9.161 17.473 0.289 699 HA VAL 93 HA VAL 93 -11.764 18.653 1.127 700 HB VAL 93 HB VAL 93 -10.510 20.549 2.215 701 HG11 VAL 93 1HG1 VAL 93 -10.059 19.384 4.314 702 HG12 VAL 93 2HG1 VAL 93 -10.017 17.821 3.470 703 HG13 VAL 93 3HG1 VAL 93 -11.532 18.752 3.554 704 HG21 VAL 93 1HG2 VAL 93 -8.284 20.121 1.126 705 HG22 VAL 93 2HG2 VAL 93 -8.105 18.673 2.141 706 HG23 VAL 93 3HG2 VAL 93 -8.190 20.282 2.889 707 H ALA 94 H ALA 94 -12.271 20.623 0.114 708 HA ALA 94 HA ALA 94 -10.492 21.782 -1.897 709 HB1 ALA 94 1HB ALA 94 -11.534 19.802 -3.119 710 HB2 ALA 94 2HB ALA 94 -11.967 21.380 -3.804 711 HB3 ALA 94 3HB ALA 94 -13.132 20.504 -2.778 712 H THR 95 H THR 95 -11.757 23.704 -2.829 713 HA THR 95 HA THR 95 -14.008 24.549 -1.087 714 HB THR 95 HB THR 95 -11.820 25.533 -0.188 715 HG1 THR 95 HG1 THR 95 -12.726 27.736 -0.299 716 HG21 THR 95 1HG2 THR 95 -10.701 27.263 -1.421 717 HG22 THR 95 2HG2 THR 95 -11.888 27.186 -2.741 718 HG23 THR 95 3HG2 THR 95 -10.764 25.835 -2.471 719 H GLU 96 H GLU 96 -14.874 26.692 -2.222 720 HA GLU 96 HA GLU 96 -15.625 25.898 -4.860 721 HB2 GLU 96 1HB GLU 96 -16.945 27.301 -3.246 722 HB3 GLU 96 2HB GLU 96 -15.849 28.646 -3.579 723 HG2 GLU 96 1HG GLU 96 -16.537 28.685 -5.911 724 HG3 GLU 96 2HG GLU 96 -17.515 27.224 -5.679 725 H GLY 97 H GLY 97 -14.811 26.390 -6.816 726 HA2 GLY 97 1HA GLY 97 -13.683 27.738 -8.392 727 HA3 GLY 97 2HA GLY 97 -12.841 28.573 -7.084 728 H ALA 98 H ALA 98 -12.530 25.432 -6.212 729 HA ALA 98 HA ALA 98 -9.820 25.336 -7.291 730 HB1 ALA 98 1HB ALA 98 -11.259 23.276 -5.609 731 HB2 ALA 98 2HB ALA 98 -10.515 24.745 -4.932 732 HB3 ALA 98 3HB ALA 98 -9.505 23.553 -5.774 733 H LEU 99 H LEU 99 -9.026 23.934 -8.838 734 HA LEU 99 HA LEU 99 -11.078 22.642 -10.522 735 HB2 LEU 99 1HB LEU 99 -8.084 23.005 -10.837 736 HB3 LEU 99 2HB LEU 99 -9.106 22.169 -11.992 737 HG LEU 99 HG LEU 99 -9.213 25.117 -11.320 738 HD11 LEU 99 1HD1 LEU 99 -8.405 25.337 -13.631 739 HD12 LEU 99 2HD1 LEU 99 -8.418 23.564 -13.818 740 HD13 LEU 99 3HD1 LEU 99 -7.294 24.341 -12.676 741 HD21 LEU 99 1HD2 LEU 99 -10.822 25.269 -13.218 742 HD22 LEU 99 2HD2 LEU 99 -11.486 24.391 -11.832 743 HD23 LEU 99 3HD2 LEU 99 -10.912 23.492 -13.263 744 H ASN 100 H ASN 100 -11.254 20.511 -10.949 745 HA ASN 100 HA ASN 100 -10.067 18.694 -8.966 746 HB2 ASN 100 1HB ASN 100 -12.476 18.596 -9.696 747 HB3 ASN 100 2HB ASN 100 -11.920 18.051 -11.286 748 HD21 ASN 100 1HD2 ASN 100 -12.235 14.789 -10.132 749 HD22 ASN 100 2HD2 ASN 100 -12.686 16.007 -11.298 750 H THR 101 H THR 101 -7.921 19.501 -10.112 751 HA THR 101 HA THR 101 -7.092 17.300 -11.949 752 HB THR 101 HB THR 101 -7.659 19.742 -13.021 753 HG1 THR 101 HG1 THR 101 -6.293 19.136 -14.693 754 HG21 THR 101 1HG2 THR 101 -5.681 21.088 -13.316 755 HG22 THR 101 2HG2 THR 101 -4.691 19.927 -12.399 756 HG23 THR 101 3HG2 THR 101 -5.954 20.886 -11.573 757 HA PRO 102 HA PRO 102 -3.759 17.304 -9.047 758 HB2 PRO 102 1HB PRO 102 -1.598 16.516 -10.493 759 HB3 PRO 102 2HB PRO 102 -2.971 15.412 -10.152 760 HG2 PRO 102 1HG PRO 102 -2.420 17.072 -12.596 761 HG3 PRO 102 2HG PRO 102 -2.823 15.329 -12.483 762 HD2 PRO 102 1HD PRO 102 -4.689 17.181 -13.038 763 HD3 PRO 102 2HD PRO 102 -5.064 15.756 -12.012 764 H LYS 103 H LYS 103 -1.838 18.331 -8.269 765 HA LYS 103 HA LYS 103 -0.447 20.276 -9.958 766 HB2 LYS 103 1HB LYS 103 -0.792 22.164 -8.314 767 HB3 LYS 103 2HB LYS 103 -2.084 21.822 -9.429 768 HG2 LYS 103 1HG LYS 103 -2.135 20.788 -6.586 769 HG3 LYS 103 2HG LYS 103 -2.681 22.413 -6.975 770 HD2 LYS 103 1HD LYS 103 -3.887 19.935 -8.242 771 HD3 LYS 103 2HD LYS 103 -4.451 20.598 -6.738 772 HE2 LYS 103 1HE LYS 103 -5.836 21.220 -8.705 773 HE3 LYS 103 2HE LYS 103 -5.260 22.571 -7.773 774 HZ1 LYS 103 1HZ LYS 103 -3.720 23.117 -9.470 775 HZ2 LYS 103 2HZ LYS 103 -5.208 22.931 -10.156 776 HZ3 LYS 103 3HZ LYS 103 -4.073 21.742 -10.330 777 H ASP 104 H ASP 104 0.697 18.204 -9.240 778 HA ASP 104 HA ASP 104 1.785 17.868 -6.671 779 HB2 ASP 104 1HB ASP 104 3.411 16.456 -7.767 780 HB3 ASP 104 2HB ASP 104 1.854 16.232 -8.574 781 H HIS 105 H HIS 105 2.680 19.979 -9.306 782 HA HIS 105 HA HIS 105 5.350 20.548 -8.658 783 HB2 HIS 105 1HB HIS 105 5.146 22.407 -10.119 784 HB3 HIS 105 2HB HIS 105 4.068 21.155 -10.750 785 HD1 HIS 105 HD1 HIS 105 4.095 24.616 -9.235 786 HD2 HIS 105 HD2 HIS 105 1.280 21.801 -10.551 787 HE1 HIS 105 HE1 HIS 105 1.848 25.823 -9.391 788 H ILE 106 H ILE 106 2.635 21.408 -6.756 789 HA ILE 106 HA ILE 106 3.989 23.804 -5.661 790 HB ILE 106 HB ILE 106 1.387 22.519 -4.712 791 HG12 ILE 106 1HG1 ILE 106 1.750 24.776 -6.721 792 HG13 ILE 106 2HG1 ILE 106 1.308 23.122 -7.145 793 HG21 ILE 106 1HG2 ILE 106 0.950 24.813 -3.791 794 HG22 ILE 106 2HG2 ILE 106 2.527 25.359 -4.400 795 HG23 ILE 106 3HG2 ILE 106 2.429 24.132 -3.120 796 HD11 ILE 106 1HD1 ILE 106 -0.665 24.375 -7.157 797 HD12 ILE 106 2HD1 ILE 106 -0.326 25.094 -5.572 798 HD13 ILE 106 3HD1 ILE 106 -0.718 23.360 -5.702 799 H GLY 107 H GLY 107 3.361 20.386 -4.942 800 HA2 GLY 107 1HA GLY 107 3.933 20.602 -2.125 801 HA3 GLY 107 2HA GLY 107 3.840 19.120 -3.072 802 H THR 108 H THR 108 6.120 20.919 -4.631 803 HA THR 108 HA THR 108 8.274 19.315 -3.471 804 HB THR 108 HB THR 108 7.975 19.601 -5.934 805 HG1 THR 108 HG1 THR 108 10.372 20.552 -4.737 806 HG21 THR 108 1HG2 THR 108 8.507 21.651 -7.057 807 HG22 THR 108 2HG2 THR 108 8.999 22.437 -5.544 808 HG23 THR 108 3HG2 THR 108 7.292 22.046 -5.827 809 H ARG 109 H ARG 109 7.143 21.601 -1.812 810 HA ARG 109 HA ARG 109 8.999 23.757 -1.707 811 HB2 ARG 109 1HB ARG 109 6.856 23.662 -0.393 812 HB3 ARG 109 2HB ARG 109 7.588 22.433 0.645 813 HG2 ARG 109 1HG ARG 109 9.397 24.107 1.233 814 HG3 ARG 109 2HG ARG 109 8.497 25.324 0.321 815 HD2 ARG 109 1HD ARG 109 8.000 25.553 2.685 816 HD3 ARG 109 2HD ARG 109 6.563 24.987 1.836 817 HE ARG 109 HE ARG 109 6.651 22.975 2.984 818 HH11 ARG 109 1HH1 ARG 109 9.668 24.733 3.668 819 HH12 ARG 109 2HH1 ARG 109 10.082 23.641 4.953 820 HH21 ARG 109 1HH2 ARG 109 7.244 21.697 4.621 821 HH22 ARG 109 2HH2 ARG 109 8.755 21.938 5.476 822 H ASN 110 H ASN 110 11.125 23.794 -1.249 823 HA ASN 110 HA ASN 110 12.351 21.337 -0.151 824 HB2 ASN 110 1HB ASN 110 13.398 23.833 -1.493 825 HB3 ASN 110 2HB ASN 110 14.479 22.819 -0.531 826 HD21 ASN 110 1HD2 ASN 110 14.749 21.636 -3.994 827 HD22 ASN 110 2HD2 ASN 110 15.110 23.097 -3.112 828 HA PRO 111 HA PRO 111 11.992 23.486 3.720 829 HB2 PRO 111 1HB PRO 111 13.100 21.660 5.412 830 HB3 PRO 111 2HB PRO 111 11.487 21.420 4.665 831 HG2 PRO 111 1HG PRO 111 14.154 20.357 3.765 832 HG3 PRO 111 2HG PRO 111 12.621 19.468 4.041 833 HD2 PRO 111 1HD PRO 111 13.361 20.272 1.569 834 HD3 PRO 111 2HD PRO 111 11.641 20.326 2.084 835 H ALA 112 H ALA 112 14.978 22.475 2.264 836 HA ALA 112 HA ALA 112 16.707 23.752 4.226 837 HB1 ALA 112 1HB ALA 112 18.466 23.331 2.541 838 HB2 ALA 112 2HB ALA 112 17.235 22.868 1.345 839 HB3 ALA 112 3HB ALA 112 17.486 21.869 2.801 840 H ASN 113 H ASN 113 14.863 24.722 1.431 841 HA ASN 113 HA ASN 113 16.436 27.231 1.160 842 HB2 ASN 113 1HB ASN 113 14.327 25.980 -0.635 843 HB3 ASN 113 2HB ASN 113 15.203 27.477 -0.973 844 HD21 ASN 113 1HD2 ASN 113 16.776 24.504 -2.660 845 HD22 ASN 113 2HD2 ASN 113 15.118 25.052 -2.528 846 H ASN 114 H ASN 114 13.294 26.038 2.198 847 HA ASN 114 HA ASN 114 12.540 28.814 2.876 848 HB2 ASN 114 1HB ASN 114 11.574 28.632 0.699 849 HB3 ASN 114 2HB ASN 114 10.940 27.004 1.031 850 HD21 ASN 114 1HD2 ASN 114 8.029 28.146 2.491 851 HD22 ASN 114 2HD2 ASN 114 8.940 26.872 1.717 852 H ALA 115 H ALA 115 11.059 29.020 4.503 853 HA ALA 115 HA ALA 115 10.756 26.640 6.213 854 HB1 ALA 115 1HB ALA 115 11.576 28.767 7.171 855 HB2 ALA 115 2HB ALA 115 10.034 28.278 7.915 856 HB3 ALA 115 3HB ALA 115 10.058 29.569 6.692 857 H ALA 116 H ALA 116 8.792 25.940 7.092 858 HA ALA 116 HA ALA 116 6.505 26.062 5.323 859 HB1 ALA 116 1HB ALA 116 7.124 24.006 6.604 860 HB2 ALA 116 2HB ALA 116 5.463 24.536 6.930 861 HB3 ALA 116 3HB ALA 116 6.746 24.861 8.118 862 H ILE 117 H ILE 117 4.453 26.863 5.785 863 HA ILE 117 HA ILE 117 4.444 29.331 7.416 864 HB ILE 117 HB ILE 117 2.334 28.094 5.604 865 HG12 ILE 117 1HG1 ILE 117 3.841 30.512 4.743 866 HG13 ILE 117 2HG1 ILE 117 4.726 28.989 4.701 867 HG21 ILE 117 1HG2 ILE 117 1.379 30.415 5.521 868 HG22 ILE 117 2HG2 ILE 117 2.569 30.922 6.742 869 HG23 ILE 117 3HG2 ILE 117 1.321 29.720 7.147 870 HD11 ILE 117 1HD1 ILE 117 3.680 29.415 2.558 871 HD12 ILE 117 2HD1 ILE 117 2.082 29.519 3.332 872 HD13 ILE 117 3HD1 ILE 117 2.968 27.971 3.323 873 H VAL 118 H VAL 118 3.164 29.537 9.354 874 HA VAL 118 HA VAL 118 2.247 27.176 10.717 875 HB VAL 118 HB VAL 118 1.426 30.112 11.069 876 HG11 VAL 118 1HG1 VAL 118 0.706 29.408 13.350 877 HG12 VAL 118 2HG1 VAL 118 0.995 27.713 12.900 878 HG13 VAL 118 3HG1 VAL 118 -0.264 28.655 12.069 879 HG21 VAL 118 1HG2 VAL 118 3.016 30.038 13.003 880 HG22 VAL 118 2HG2 VAL 118 3.827 29.789 11.445 881 HG23 VAL 118 3HG2 VAL 118 3.503 28.400 12.508 882 H LEU 119 H LEU 119 0.463 25.977 10.310 883 HA LEU 119 HA LEU 119 -1.209 26.639 8.077 884 HB2 LEU 119 1HB LEU 119 -0.573 24.353 8.970 885 HB3 LEU 119 2HB LEU 119 -1.787 24.572 10.222 886 HG LEU 119 HG LEU 119 -2.560 24.857 7.309 887 HD11 LEU 119 1HD1 LEU 119 -2.980 22.454 7.172 888 HD12 LEU 119 2HD1 LEU 119 -2.262 22.219 8.784 889 HD13 LEU 119 3HD1 LEU 119 -1.259 22.779 7.442 890 HD21 LEU 119 1HD2 LEU 119 -3.968 24.038 9.871 891 HD22 LEU 119 2HD2 LEU 119 -4.669 23.709 8.277 892 HD23 LEU 119 3HD2 LEU 119 -4.359 25.375 8.780 893 H GLN 120 H GLN 120 -3.086 27.664 7.927 894 HA GLN 120 HA GLN 120 -4.592 28.414 10.395 895 HB2 GLN 120 1HB GLN 120 -3.758 30.177 8.076 896 HB3 GLN 120 2HB GLN 120 -4.953 30.640 9.292 897 HG2 GLN 120 1HG GLN 120 -3.363 30.885 10.955 898 HG3 GLN 120 2HG GLN 120 -2.203 29.835 10.143 899 HE21 GLN 120 1HE2 GLN 120 -0.736 32.358 8.232 900 HE22 GLN 120 2HE2 GLN 120 -0.856 30.641 8.565 901 H LEU 121 H LEU 121 -6.836 28.873 9.886 902 HA LEU 121 HA LEU 121 -7.712 27.694 7.275 903 HB2 LEU 121 1HB LEU 121 -8.883 27.647 10.056 904 HB3 LEU 121 2HB LEU 121 -9.968 27.631 8.674 905 HG LEU 121 HG LEU 121 -7.791 25.570 9.120 906 HD11 LEU 121 1HD1 LEU 121 -9.661 24.109 9.825 907 HD12 LEU 121 2HD1 LEU 121 -10.764 25.496 9.730 908 HD13 LEU 121 3HD1 LEU 121 -9.440 25.500 10.906 909 HD21 LEU 121 1HD2 LEU 121 -9.024 24.234 7.463 910 HD22 LEU 121 2HD2 LEU 121 -8.553 25.786 6.744 911 HD23 LEU 121 3HD2 LEU 121 -10.231 25.524 7.277 912 HA PRO 122 HA PRO 122 -8.950 31.750 6.390 913 HB2 PRO 122 1HB PRO 122 -11.056 31.444 4.694 914 HB3 PRO 122 2HB PRO 122 -9.363 30.981 4.255 915 HG2 PRO 122 1HG PRO 122 -11.594 29.257 5.302 916 HG3 PRO 122 2HG PRO 122 -10.560 29.001 3.865 917 HD2 PRO 122 1HD PRO 122 -10.029 27.802 6.203 918 HD3 PRO 122 2HD PRO 122 -8.708 28.419 5.148 919 H GLN 123 H GLN 123 -10.745 33.356 6.387 920 HA GLN 123 HA GLN 123 -11.956 33.472 8.913 921 HB2 GLN 123 1HB GLN 123 -11.508 35.395 7.386 922 HB3 GLN 123 2HB GLN 123 -12.830 34.854 6.346 923 HG2 GLN 123 1HG GLN 123 -14.435 35.220 8.175 924 HG3 GLN 123 2HG GLN 123 -13.115 35.736 9.239 925 HE21 GLN 123 1HE2 GLN 123 -14.915 38.406 6.910 926 HE22 GLN 123 2HE2 GLN 123 -15.546 36.821 7.285 927 H GLY 124 H GLY 124 -13.765 32.700 9.789 928 HA2 GLY 124 1HA GLY 124 -16.004 32.000 9.837 929 HA3 GLY 124 2HA GLY 124 -16.011 31.874 8.072 930 H THR 125 H THR 125 -13.240 30.331 8.645 931 HA THR 125 HA THR 125 -14.651 27.721 8.985 932 HB THR 125 HB THR 125 -11.910 28.226 7.773 933 HG1 THR 125 HG1 THR 125 -13.663 29.266 6.629 934 HG21 THR 125 1HG2 THR 125 -12.346 26.054 6.724 935 HG22 THR 125 2HG2 THR 125 -13.897 25.962 7.576 936 HG23 THR 125 3HG2 THR 125 -12.381 25.914 8.492 937 H THR 126 H THR 126 -14.271 26.527 10.740 938 HA THR 126 HA THR 126 -11.968 27.288 12.482 939 HB THR 126 HB THR 126 -13.419 26.366 14.348 940 HG1 THR 126 HG1 THR 126 -14.909 25.234 13.070 941 HG21 THR 126 1HG2 THR 126 -14.747 28.383 14.555 942 HG22 THR 126 2HG2 THR 126 -14.547 28.735 12.824 943 HG23 THR 126 3HG2 THR 126 -13.135 28.777 13.913 944 H LEU 127 H LEU 127 -10.854 25.767 13.574 945 HA LEU 127 HA LEU 127 -10.596 23.159 12.343 946 HB2 LEU 127 1HB LEU 127 -9.617 24.234 14.998 947 HB3 LEU 127 2HB LEU 127 -9.153 22.685 14.360 948 HG LEU 127 HG LEU 127 -8.490 25.289 12.971 949 HD11 LEU 127 1HD1 LEU 127 -6.226 25.014 13.912 950 HD12 LEU 127 2HD1 LEU 127 -6.779 23.608 14.852 951 HD13 LEU 127 3HD1 LEU 127 -7.431 25.224 15.199 952 HD21 LEU 127 1HD2 LEU 127 -6.904 23.915 11.738 953 HD22 LEU 127 2HD2 LEU 127 -8.511 23.190 11.594 954 HD23 LEU 127 3HD2 LEU 127 -7.325 22.485 12.710 955 HA PRO 128 HA PRO 128 -13.643 21.186 14.836 956 HB2 PRO 128 1HB PRO 128 -12.788 18.595 14.983 957 HB3 PRO 128 2HB PRO 128 -13.423 19.324 13.480 958 HG2 PRO 128 1HG PRO 128 -10.618 18.829 14.315 959 HG3 PRO 128 2HG PRO 128 -11.378 18.609 12.719 960 HD2 PRO 128 1HD PRO 128 -9.819 20.778 13.458 961 HD3 PRO 128 2HD PRO 128 -11.047 20.838 12.165 962 H LYS 129 H LYS 129 -13.924 20.015 16.942 963 HA LYS 129 HA LYS 129 -12.452 21.374 18.936 964 HB2 LYS 129 1HB LYS 129 -14.765 20.405 19.143 965 HB3 LYS 129 2HB LYS 129 -14.030 18.800 19.294 966 HG2 LYS 129 1HG LYS 129 -12.863 19.511 21.339 967 HG3 LYS 129 2HG LYS 129 -13.525 21.149 21.158 968 HD2 LYS 129 1HD LYS 129 -15.818 20.219 21.340 969 HD3 LYS 129 2HD LYS 129 -15.124 18.604 21.604 970 HE2 LYS 129 1HE LYS 129 -13.955 19.435 23.621 971 HE3 LYS 129 2HE LYS 129 -14.630 21.055 23.348 972 HZ1 LYS 129 1HZ LYS 129 -15.914 19.824 24.980 973 HZ2 LYS 129 2HZ LYS 129 -16.219 18.613 23.901 974 HZ3 LYS 129 3HZ LYS 129 -16.843 20.120 23.649 975 H GLY 130 H GLY 130 -10.626 21.008 19.978 976 HA2 GLY 130 1HA GLY 130 -9.017 19.673 21.064 977 HA3 GLY 130 2HA GLY 130 -9.491 18.287 20.082 978 H PHE 131 H PHE 131 -9.194 20.564 17.744 979 HA PHE 131 HA PHE 131 -6.432 19.752 17.256 980 HB2 PHE 131 1HB PHE 131 -8.765 20.466 15.633 981 HB3 PHE 131 2HB PHE 131 -7.272 21.242 15.100 982 HD1 PHE 131 HD1 PHE 131 -9.070 18.085 15.427 983 HD2 PHE 131 HD2 PHE 131 -5.324 19.906 14.420 984 HE1 PHE 131 HE1 PHE 131 -8.379 16.011 14.289 985 HE2 PHE 131 HE2 PHE 131 -4.599 17.797 13.290 986 HZ PHE 131 HZ PHE 131 -6.128 15.854 13.218 987 H TYR 132 H TYR 132 -4.851 21.018 16.954 988 HA TYR 132 HA TYR 132 -5.162 23.957 16.980 989 HB2 TYR 132 1HB TYR 132 -3.403 24.263 18.637 990 HB3 TYR 132 2HB TYR 132 -4.757 23.373 19.331 991 HD1 TYR 132 HD1 TYR 132 -1.183 23.321 18.571 992 HD2 TYR 132 HD2 TYR 132 -4.522 20.841 19.714 993 HE1 TYR 132 HE1 TYR 132 0.385 21.570 19.412 994 HE2 TYR 132 HE2 TYR 132 -2.945 19.110 20.548 995 HH TYR 132 HH TYR 132 -0.772 18.536 20.900 996 H ALA 133 H ALA 133 -3.053 24.988 16.297 997 HA ALA 133 HA ALA 133 -1.815 23.243 14.227 998 HB1 ALA 133 1HB ALA 133 -3.082 25.220 13.396 999 HB2 ALA 133 2HB ALA 133 -1.352 25.328 13.005 1000 HB3 ALA 133 3HB ALA 133 -2.021 26.283 14.344 1001 H GLU 134 H GLU 134 0.368 23.123 13.940 1002 HA GLU 134 HA GLU 134 2.036 23.640 16.264 1003 HB2 GLU 134 1HB GLU 134 2.522 21.784 14.752 1004 HB3 GLU 134 2HB GLU 134 2.603 22.873 13.390 1005 HG2 GLU 134 1HG GLU 134 4.825 22.636 13.685 1006 HG3 GLU 134 2HG GLU 134 4.600 23.946 14.847 1007 H GLY 135 H GLY 135 3.131 25.483 16.742 1008 HA2 GLY 135 1HA GLY 135 4.341 27.445 16.235 1009 HA3 GLY 135 2HA GLY 135 3.688 27.434 14.592 1010 H SER 136 H SER 136 1.006 26.876 16.370 1011 HA SER 136 HA SER 136 0.464 29.806 16.718 1012 HB2 SER 136 1HB SER 136 -0.928 28.667 15.007 1013 HB3 SER 136 2HB SER 136 -1.481 27.517 16.242 1014 HG SER 136 HG SER 136 -2.846 29.434 15.804 1015 H ARG 137 H ARG 137 -0.216 30.526 18.701 1016 HA ARG 137 HA ARG 137 -0.954 28.539 20.765 1017 HB2 ARG 137 1HB ARG 137 1.644 29.365 20.558 1018 HB3 ARG 137 2HB ARG 137 1.010 30.614 21.628 1019 HG2 ARG 137 1HG ARG 137 0.725 27.639 22.134 1020 HG3 ARG 137 2HG ARG 137 2.051 28.634 22.763 1021 HD2 ARG 137 1HD ARG 137 0.330 30.109 23.860 1022 HD3 ARG 137 2HD ARG 137 -0.906 28.935 23.374 1023 HE ARG 137 HE ARG 137 1.175 27.593 24.786 1024 HH11 ARG 137 1HH1 ARG 137 -1.521 29.802 25.413 1025 HH12 ARG 137 2HH1 ARG 137 -1.679 29.266 27.070 1026 HH21 ARG 137 1HH2 ARG 137 0.891 26.964 26.903 1027 HH22 ARG 137 2HH2 ARG 137 -0.354 27.688 27.885 1028 H GLY 138 H GLY 138 -2.865 29.283 21.537 1029 HA2 GLY 138 1HA GLY 138 -3.541 32.118 21.425 1030 HA3 GLY 138 2HA GLY 138 -4.511 30.818 22.158 1031 H GLY 139 H GLY 139 -3.781 33.517 23.283 1032 HA2 GLY 139 1HA GLY 139 -2.577 32.501 25.805 1033 HA3 GLY 139 2HA GLY 139 -1.842 33.897 25.002 1034 H SER 140 H SER 140 -5.281 33.022 25.352 1035 HA SER 140 HA SER 140 -5.711 35.546 26.892 1036 HB2 SER 140 1HB SER 140 -7.619 34.186 24.946 1037 HB3 SER 140 2HB SER 140 -7.862 35.740 25.775 1038 HG SER 140 HG SER 140 -5.854 36.386 24.655 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 13.399 -5.295 5.475 2 H2 GLY 1 2H GLY 1 13.473 -3.931 6.401 3 H3 GLY 1 3H GLY 1 14.838 -4.515 5.684 4 HA2 GLY 1 1HA GLY 1 13.965 -4.062 3.505 5 HA3 GLY 1 2HA GLY 1 12.489 -3.445 4.274 6 H ALA 2 H ALA 2 13.739 -1.721 2.587 7 HA ALA 2 HA ALA 2 15.753 -0.117 3.879 8 HB1 ALA 2 1HB ALA 2 15.402 -0.142 1.412 9 HB2 ALA 2 2HB ALA 2 15.247 1.501 2.071 10 HB3 ALA 2 3HB ALA 2 13.788 0.580 1.639 11 H MET 3 H MET 3 15.445 2.094 4.678 12 HA MET 3 HA MET 3 12.773 2.988 5.387 13 HB2 MET 3 1HB MET 3 13.194 3.066 7.786 14 HB3 MET 3 2HB MET 3 13.339 1.390 7.247 15 HG2 MET 3 1HG MET 3 15.831 1.665 7.209 16 HG3 MET 3 2HG MET 3 15.623 3.296 7.870 17 HE1 MET 3 1HE MET 3 15.090 -0.719 10.087 18 HE2 MET 3 2HE MET 3 16.009 -0.441 8.588 19 HE3 MET 3 3HE MET 3 14.229 -0.411 8.559 20 H GLY 4 H GLY 4 13.031 5.220 6.158 21 HA2 GLY 4 1HA GLY 4 14.152 7.260 6.355 22 HA3 GLY 4 2HA GLY 4 15.690 6.405 6.147 23 H LEU 5 H LEU 5 13.029 6.130 3.885 24 HA LEU 5 HA LEU 5 14.654 6.711 1.634 25 HB2 LEU 5 1HB LEU 5 11.660 6.625 2.075 26 HB3 LEU 5 2HB LEU 5 12.336 7.121 0.534 27 HG LEU 5 HG LEU 5 13.462 4.907 0.328 28 HD11 LEU 5 1HD1 LEU 5 12.573 3.012 1.698 29 HD12 LEU 5 2HD1 LEU 5 11.791 4.186 2.777 30 HD13 LEU 5 3HD1 LEU 5 13.570 4.134 2.639 31 HD21 LEU 5 1HD2 LEU 5 11.387 3.727 -0.288 32 HD22 LEU 5 2HD2 LEU 5 11.322 5.434 -0.765 33 HD23 LEU 5 3HD2 LEU 5 10.434 4.881 0.675 34 HA PRO 6 HA PRO 6 14.687 11.094 1.988 35 HB2 PRO 6 1HB PRO 6 15.466 11.873 -0.504 36 HB3 PRO 6 2HB PRO 6 16.571 10.990 0.600 37 HG2 PRO 6 1HG PRO 6 14.851 9.898 -1.620 38 HG3 PRO 6 2HG PRO 6 16.604 9.652 -1.329 39 HD2 PRO 6 1HD PRO 6 14.758 7.844 -0.521 40 HD3 PRO 6 2HD PRO 6 16.218 8.198 0.469 41 H ASN 7 H ASN 7 13.504 12.988 1.462 42 HA ASN 7 HA ASN 7 11.506 12.957 -0.655 43 HB2 ASN 7 1HB ASN 7 10.434 11.667 1.249 44 HB3 ASN 7 2HB ASN 7 10.590 13.120 2.246 45 HD21 ASN 7 1HD2 ASN 7 7.391 12.700 0.015 46 HD22 ASN 7 2HD2 ASN 7 8.448 11.414 0.554 47 H ASN 8 H ASN 8 11.874 14.946 -1.453 48 HA ASN 8 HA ASN 8 12.559 17.146 0.443 49 HB2 ASN 8 1HB ASN 8 13.463 18.294 -1.455 50 HB3 ASN 8 2HB ASN 8 14.086 16.640 -1.506 51 HD21 ASN 8 1HD2 ASN 8 12.150 18.117 -4.648 52 HD22 ASN 8 2HD2 ASN 8 12.777 19.078 -3.320 53 H THR 9 H THR 9 9.889 15.893 -1.201 54 HA THR 9 HA THR 9 8.705 18.499 -1.908 55 HB THR 9 HB THR 9 6.740 17.053 -2.538 56 HG1 THR 9 HG1 THR 9 7.503 15.327 -1.052 57 HG21 THR 9 1HG2 THR 9 8.501 17.678 -4.203 58 HG22 THR 9 2HG2 THR 9 7.791 16.084 -4.531 59 HG23 THR 9 3HG2 THR 9 9.396 16.200 -3.777 60 H ALA 10 H ALA 10 8.675 19.433 0.147 61 HA ALA 10 HA ALA 10 7.210 18.032 2.268 62 HB1 ALA 10 1HB ALA 10 8.123 19.763 3.719 63 HB2 ALA 10 2HB ALA 10 8.704 20.686 2.307 64 HB3 ALA 10 3HB ALA 10 9.423 19.105 2.698 65 H SER 11 H SER 11 5.478 18.782 3.292 66 HA SER 11 HA SER 11 3.407 20.176 1.969 67 HB2 SER 11 1HB SER 11 2.801 18.879 3.876 68 HB3 SER 11 2HB SER 11 4.047 19.640 4.886 69 HG SER 11 HG SER 11 2.677 21.119 5.421 70 H TRP 12 H TRP 12 2.871 22.312 1.788 71 HA TRP 12 HA TRP 12 4.851 24.318 2.217 72 HB2 TRP 12 1HB TRP 12 2.048 24.217 1.283 73 HB3 TRP 12 2HB TRP 12 2.565 25.752 1.994 74 HD1 TRP 12 HD1 TRP 12 2.844 23.778 -1.163 75 HE1 TRP 12 HE1 TRP 12 4.333 24.894 -2.864 76 HE3 TRP 12 HE3 TRP 12 4.823 27.326 1.927 77 HZ2 TRP 12 HZ2 TRP 12 6.192 27.054 -2.895 78 HZ3 TRP 12 HZ3 TRP 12 6.488 28.939 0.977 79 HH2 TRP 12 HH2 TRP 12 7.184 28.773 -1.412 80 H PHE 13 H PHE 13 2.508 22.931 4.323 81 HA PHE 13 HA PHE 13 2.730 25.285 6.133 82 HB2 PHE 13 1HB PHE 13 0.452 23.303 5.919 83 HB3 PHE 13 2HB PHE 13 0.485 24.800 6.860 84 HD1 PHE 13 HD1 PHE 13 -0.215 23.282 3.650 85 HD2 PHE 13 HD2 PHE 13 0.585 27.008 5.635 86 HE1 PHE 13 HE1 PHE 13 -1.126 24.514 1.694 87 HE2 PHE 13 HE2 PHE 13 -0.287 28.248 3.671 88 HZ PHE 13 HZ PHE 13 -1.137 26.995 1.702 89 H THR 14 H THR 14 2.496 24.901 8.380 90 HA THR 14 HA THR 14 4.090 22.680 9.303 91 HB THR 14 HB THR 14 3.516 23.486 11.559 92 HG1 THR 14 HG1 THR 14 2.078 25.160 11.840 93 HG21 THR 14 1HG2 THR 14 4.424 25.761 11.423 94 HG22 THR 14 2HG2 THR 14 4.168 25.765 9.667 95 HG23 THR 14 3HG2 THR 14 5.333 24.635 10.391 96 H ALA 15 H ALA 15 3.297 21.187 11.036 97 HA ALA 15 HA ALA 15 0.977 19.824 9.946 98 HB1 ALA 15 1HB ALA 15 3.143 18.746 10.708 99 HB2 ALA 15 2HB ALA 15 1.650 18.000 11.309 100 HB3 ALA 15 3HB ALA 15 2.615 19.056 12.376 101 H LEU 16 H LEU 16 -0.986 19.495 10.825 102 HA LEU 16 HA LEU 16 -1.812 21.040 13.202 103 HB2 LEU 16 1HB LEU 16 -3.143 18.943 11.448 104 HB3 LEU 16 2HB LEU 16 -3.884 19.565 12.903 105 HG LEU 16 HG LEU 16 -3.250 21.180 10.437 106 HD11 LEU 16 1HD1 LEU 16 -5.699 21.250 10.182 107 HD12 LEU 16 2HD1 LEU 16 -5.889 20.231 11.629 108 HD13 LEU 16 3HD1 LEU 16 -5.114 19.574 10.169 109 HD21 LEU 16 1HD2 LEU 16 -3.052 22.619 12.337 110 HD22 LEU 16 2HD2 LEU 16 -4.504 21.922 13.102 111 HD23 LEU 16 3HD2 LEU 16 -4.653 22.913 11.636 112 H THR 17 H THR 17 -2.321 20.028 15.215 113 HA THR 17 HA THR 17 -1.075 17.314 15.516 114 HB THR 17 HB THR 17 -1.458 19.464 17.628 115 HG1 THR 17 HG1 THR 17 0.056 20.129 16.114 116 HG21 THR 17 1HG2 THR 17 0.023 16.805 17.574 117 HG22 THR 17 2HG2 THR 17 -1.312 17.296 18.651 118 HG23 THR 17 3HG2 THR 17 0.284 18.061 18.807 119 H GLN 18 H GLN 18 -2.356 15.699 16.117 120 HA GLN 18 HA GLN 18 -5.191 16.308 16.719 121 HB2 GLN 18 1HB GLN 18 -4.481 14.627 14.988 122 HB3 GLN 18 2HB GLN 18 -3.731 13.673 16.257 123 HG2 GLN 18 1HG GLN 18 -6.637 14.348 16.591 124 HG3 GLN 18 2HG GLN 18 -6.212 13.208 15.315 125 HE21 GLN 18 1HE2 GLN 18 -6.831 10.889 17.925 126 HE22 GLN 18 2HE2 GLN 18 -7.572 11.763 16.592 127 H HIS 19 H HIS 19 -6.046 16.115 18.716 128 HA HIS 19 HA HIS 19 -4.797 14.150 20.565 129 HB2 HIS 19 1HB HIS 19 -3.992 16.375 21.293 130 HB3 HIS 19 2HB HIS 19 -5.654 16.973 21.320 131 HD1 HIS 19 HD1 HIS 19 -3.357 14.568 23.186 132 HD2 HIS 19 HD2 HIS 19 -7.106 16.341 23.566 133 HE1 HIS 19 HE1 HIS 19 -4.168 14.075 25.531 134 H GLY 20 H GLY 20 -6.476 12.663 20.267 135 HA2 GLY 20 1HA GLY 20 -8.918 13.027 21.579 136 HA3 GLY 20 2HA GLY 20 -9.188 13.554 19.909 137 H LYS 21 H LYS 21 -10.766 11.741 20.023 138 HA LYS 21 HA LYS 21 -9.488 9.064 19.710 139 HB2 LYS 21 1HB LYS 21 -12.363 9.934 20.157 140 HB3 LYS 21 2HB LYS 21 -11.873 8.272 19.818 141 HG2 LYS 21 1HG LYS 21 -10.397 8.351 21.848 142 HG3 LYS 21 2HG LYS 21 -11.085 9.944 22.226 143 HD2 LYS 21 1HD LYS 21 -13.347 8.936 22.308 144 HD3 LYS 21 2HD LYS 21 -12.640 7.345 21.947 145 HE2 LYS 21 1HE LYS 21 -11.260 7.513 24.014 146 HE3 LYS 21 2HE LYS 21 -12.042 9.062 24.392 147 HZ1 LYS 21 1HZ LYS 21 -14.164 7.890 24.493 148 HZ2 LYS 21 2HZ LYS 21 -13.094 7.223 25.559 149 HZ3 LYS 21 3HZ LYS 21 -13.433 6.452 24.141 150 H GLU 22 H GLU 22 -11.154 11.540 17.900 151 HA GLU 22 HA GLU 22 -11.662 9.714 15.638 152 HB2 GLU 22 1HB GLU 22 -12.145 12.687 15.963 153 HB3 GLU 22 2HB GLU 22 -12.673 11.705 14.602 154 HG2 GLU 22 1HG GLU 22 -14.145 10.403 16.063 155 HG3 GLU 22 2HG GLU 22 -13.573 11.305 17.478 156 H ASP 23 H ASP 23 -10.725 10.172 13.549 157 HA ASP 23 HA ASP 23 -7.911 10.696 13.832 158 HB2 ASP 23 1HB ASP 23 -9.454 9.194 12.141 159 HB3 ASP 23 2HB ASP 23 -9.051 10.550 11.083 160 H LEU 24 H LEU 24 -10.278 12.259 11.628 161 HA LEU 24 HA LEU 24 -9.920 14.944 12.356 162 HB2 LEU 24 1HB LEU 24 -7.592 14.800 11.511 163 HB3 LEU 24 2HB LEU 24 -8.166 14.118 10.002 164 HG LEU 24 HG LEU 24 -9.188 16.238 9.378 165 HD11 LEU 24 1HD1 LEU 24 -8.866 18.294 10.666 166 HD12 LEU 24 2HD1 LEU 24 -8.090 17.380 11.973 167 HD13 LEU 24 3HD1 LEU 24 -9.802 17.129 11.607 168 HD21 LEU 24 1HD2 LEU 24 -7.142 17.551 9.092 169 HD22 LEU 24 2HD2 LEU 24 -6.830 15.822 8.834 170 HD23 LEU 24 3HD2 LEU 24 -6.338 16.592 10.360 171 H LYS 25 H LYS 25 -11.447 16.167 11.106 172 HA LYS 25 HA LYS 25 -12.287 15.127 8.514 173 HB2 LYS 25 1HB LYS 25 -13.656 13.822 10.203 174 HB3 LYS 25 2HB LYS 25 -14.317 15.355 10.777 175 HG2 LYS 25 1HG LYS 25 -15.920 14.333 9.296 176 HG3 LYS 25 2HG LYS 25 -15.254 15.757 8.480 177 HD2 LYS 25 1HD LYS 25 -13.691 14.264 7.219 178 HD3 LYS 25 2HD LYS 25 -14.434 12.860 8.013 179 HE2 LYS 25 1HE LYS 25 -16.619 13.484 7.030 180 HE3 LYS 25 2HE LYS 25 -15.852 14.878 6.229 181 HZ1 LYS 25 1HZ LYS 25 -16.017 12.955 4.756 182 HZ2 LYS 25 2HZ LYS 25 -15.113 12.038 5.787 183 HZ3 LYS 25 3HZ LYS 25 -14.435 13.337 5.028 184 H PHE 26 H PHE 26 -13.008 16.768 7.220 185 HA PHE 26 HA PHE 26 -13.757 19.338 8.542 186 HB2 PHE 26 1HB PHE 26 -12.058 18.864 6.065 187 HB3 PHE 26 2HB PHE 26 -12.850 20.405 6.397 188 HD1 PHE 26 HD1 PHE 26 -9.714 19.189 6.397 189 HD2 PHE 26 HD2 PHE 26 -12.501 20.859 9.243 190 HE1 PHE 26 HE1 PHE 26 -7.835 19.868 7.866 191 HE2 PHE 26 HE2 PHE 26 -10.612 21.572 10.670 192 HZ PHE 26 HZ PHE 26 -8.269 21.065 9.992 193 HA PRO 27 HA PRO 27 -17.444 18.793 6.184 194 HB2 PRO 27 1HB PRO 27 -18.271 21.380 5.751 195 HB3 PRO 27 2HB PRO 27 -18.336 20.596 7.358 196 HG2 PRO 27 1HG PRO 27 -16.315 22.444 6.260 197 HG3 PRO 27 2HG PRO 27 -17.109 22.453 7.846 198 HD2 PRO 27 1HD PRO 27 -14.613 21.476 7.445 199 HD3 PRO 27 2HD PRO 27 -15.736 20.778 8.662 200 H ARG 28 H ARG 28 -18.451 19.143 4.055 201 HA ARG 28 HA ARG 28 -16.482 18.986 1.955 202 HB2 ARG 28 1HB ARG 28 -18.750 17.817 2.079 203 HB3 ARG 28 2HB ARG 28 -19.493 19.374 1.715 204 HG2 ARG 28 1HG ARG 28 -19.446 18.223 -0.331 205 HG3 ARG 28 2HG ARG 28 -18.104 19.371 -0.450 206 HD2 ARG 28 1HD ARG 28 -16.489 17.622 0.031 207 HD3 ARG 28 2HD ARG 28 -17.788 16.477 0.431 208 HE ARG 28 HE ARG 28 -18.195 17.403 -2.220 209 HH11 ARG 28 1HH1 ARG 28 -15.914 15.353 -0.467 210 HH12 ARG 28 2HH1 ARG 28 -15.578 14.371 -1.868 211 HH21 ARG 28 1HH2 ARG 28 -17.704 16.116 -3.966 212 HH22 ARG 28 2HH2 ARG 28 -16.573 14.799 -3.812 213 H GLY 29 H GLY 29 -15.765 20.529 0.525 214 HA2 GLY 29 1HA GLY 29 -15.774 22.529 -0.678 215 HA3 GLY 29 2HA GLY 29 -17.281 22.999 0.130 216 H GLN 30 H GLN 30 -14.899 21.891 2.287 217 HA GLN 30 HA GLN 30 -13.785 24.564 2.863 218 HB2 GLN 30 1HB GLN 30 -15.940 23.151 4.328 219 HB3 GLN 30 2HB GLN 30 -14.609 23.707 5.339 220 HG2 GLN 30 1HG GLN 30 -14.954 25.995 4.533 221 HG3 GLN 30 2HG GLN 30 -16.312 25.428 3.537 222 HE21 GLN 30 1HE2 GLN 30 -16.718 25.859 7.571 223 HE22 GLN 30 2HE2 GLN 30 -15.138 25.990 6.802 224 H GLY 31 H GLY 31 -12.259 24.322 4.785 225 HA2 GLY 31 1HA GLY 31 -11.076 22.832 6.271 226 HA3 GLY 31 2HA GLY 31 -11.292 21.520 5.110 227 H VAL 32 H VAL 32 -10.593 23.708 2.993 228 HA VAL 32 HA VAL 32 -7.805 23.006 2.789 229 HB VAL 32 HB VAL 32 -9.352 25.290 1.446 230 HG11 VAL 32 1HG1 VAL 32 -6.722 23.926 0.735 231 HG12 VAL 32 2HG1 VAL 32 -6.946 25.611 1.267 232 HG13 VAL 32 3HG1 VAL 32 -7.572 25.086 -0.284 233 HG21 VAL 32 1HG2 VAL 32 -9.577 23.740 -0.478 234 HG22 VAL 32 2HG2 VAL 32 -10.430 23.140 0.958 235 HG23 VAL 32 3HG2 VAL 32 -8.858 22.439 0.491 236 HA PRO 33 HA PRO 33 -6.547 26.169 5.636 237 HB2 PRO 33 1HB PRO 33 -3.857 25.886 5.434 238 HB3 PRO 33 2HB PRO 33 -4.887 24.643 6.212 239 HG2 PRO 33 1HG PRO 33 -3.836 24.755 3.439 240 HG3 PRO 33 2HG PRO 33 -3.770 23.412 4.613 241 HD2 PRO 33 1HD PRO 33 -5.613 23.461 2.699 242 HD3 PRO 33 2HD PRO 33 -5.963 22.827 4.337 243 H ILE 34 H ILE 34 -5.314 28.183 5.606 244 HA ILE 34 HA ILE 34 -5.857 29.659 3.196 245 HB ILE 34 HB ILE 34 -4.192 30.419 5.647 246 HG12 ILE 34 1HG1 ILE 34 -7.042 31.146 4.901 247 HG13 ILE 34 2HG1 ILE 34 -6.591 29.906 6.070 248 HG21 ILE 34 1HG2 ILE 34 -3.610 31.813 3.651 249 HG22 ILE 34 2HG2 ILE 34 -4.417 32.757 4.902 250 HG23 ILE 34 3HG2 ILE 34 -5.330 32.235 3.466 251 HD11 ILE 34 1HD1 ILE 34 -5.422 31.679 7.422 252 HD12 ILE 34 2HD1 ILE 34 -7.177 31.885 7.295 253 HD13 ILE 34 3HD1 ILE 34 -6.103 32.890 6.310 254 H ASN 35 H ASN 35 -4.698 29.803 1.417 255 HA ASN 35 HA ASN 35 -1.747 29.370 1.599 256 HB2 ASN 35 1HB ASN 35 -3.057 27.462 0.559 257 HB3 ASN 35 2HB ASN 35 -3.475 28.563 -0.755 258 HD21 ASN 35 1HD2 ASN 35 -0.540 26.777 -1.934 259 HD22 ASN 35 2HD2 ASN 35 -2.251 26.514 -1.671 260 H THR 36 H THR 36 -1.180 31.492 1.627 261 HA THR 36 HA THR 36 -2.431 33.508 -0.020 262 HB THR 36 HB THR 36 -0.641 34.957 0.905 263 HG1 THR 36 HG1 THR 36 1.159 33.768 1.029 264 HG21 THR 36 1HG2 THR 36 -1.160 34.760 3.236 265 HG22 THR 36 2HG2 THR 36 -1.534 33.032 3.075 266 HG23 THR 36 3HG2 THR 36 -2.618 34.252 2.353 267 H ASN 37 H ASN 37 0.046 31.233 -0.524 268 HA ASN 37 HA ASN 37 1.405 32.914 -2.577 269 HB2 ASN 37 1HB ASN 37 2.237 30.294 -1.280 270 HB3 ASN 37 2HB ASN 37 3.229 31.283 -2.364 271 HD21 ASN 37 1HD2 ASN 37 3.285 31.956 1.541 272 HD22 ASN 37 2HD2 ASN 37 2.641 30.523 0.780 273 H SER 38 H SER 38 -1.222 31.727 -3.044 274 HA SER 38 HA SER 38 -0.480 29.954 -5.326 275 HB2 SER 38 1HB SER 38 -2.083 28.304 -4.693 276 HB3 SER 38 2HB SER 38 -0.996 28.586 -3.325 277 HG SER 38 HG SER 38 -2.653 30.064 -2.522 278 H SER 39 H SER 39 -2.612 29.201 -6.430 279 HA SER 39 HA SER 39 -4.232 31.636 -6.997 280 HB2 SER 39 1HB SER 39 -3.645 29.095 -8.559 281 HB3 SER 39 2HB SER 39 -4.632 30.440 -9.138 282 HG SER 39 HG SER 39 -2.695 31.762 -8.724 283 HA PRO 40 HA PRO 40 -7.703 29.622 -5.285 284 HB2 PRO 40 1HB PRO 40 -9.820 29.906 -6.986 285 HB3 PRO 40 2HB PRO 40 -9.094 31.296 -6.113 286 HG2 PRO 40 1HG PRO 40 -8.523 30.333 -8.912 287 HG3 PRO 40 2HG PRO 40 -8.992 31.970 -8.365 288 HD2 PRO 40 1HD PRO 40 -6.421 31.372 -8.772 289 HD3 PRO 40 2HD PRO 40 -6.899 32.358 -7.346 290 H ASP 41 H ASP 41 -6.774 28.478 -8.482 291 HA ASP 41 HA ASP 41 -8.516 26.174 -8.446 292 HB2 ASP 41 1HB ASP 41 -7.344 25.443 -10.361 293 HB3 ASP 41 2HB ASP 41 -7.478 27.201 -10.508 294 H ASP 42 H ASP 42 -5.525 26.962 -6.950 295 HA ASP 42 HA ASP 42 -4.314 24.352 -6.860 296 HB2 ASP 42 1HB ASP 42 -2.661 25.832 -6.593 297 HB3 ASP 42 2HB ASP 42 -3.743 27.096 -6.056 298 H GLN 43 H GLN 43 -6.672 25.919 -4.966 299 HA GLN 43 HA GLN 43 -6.091 25.162 -2.366 300 HB2 GLN 43 1HB GLN 43 -8.790 25.451 -3.721 301 HB3 GLN 43 2HB GLN 43 -8.511 25.566 -1.989 302 HG2 GLN 43 1HG GLN 43 -7.382 27.445 -4.100 303 HG3 GLN 43 2HG GLN 43 -8.745 27.793 -3.043 304 HE21 GLN 43 1HE2 GLN 43 -5.092 28.753 -1.904 305 HE22 GLN 43 2HE2 GLN 43 -5.565 28.374 -3.535 306 H ILE 44 H ILE 44 -7.412 23.088 -4.841 307 HA ILE 44 HA ILE 44 -8.660 21.187 -3.121 308 HB ILE 44 HB ILE 44 -9.118 21.388 -5.506 309 HG12 ILE 44 1HG1 ILE 44 -8.070 18.612 -5.135 310 HG13 ILE 44 2HG1 ILE 44 -9.361 19.234 -4.100 311 HG21 ILE 44 1HG2 ILE 44 -7.024 21.932 -6.481 312 HG22 ILE 44 2HG2 ILE 44 -7.478 20.355 -7.145 313 HG23 ILE 44 3HG2 ILE 44 -6.264 20.444 -5.879 314 HD11 ILE 44 1HD1 ILE 44 -10.771 19.703 -6.031 315 HD12 ILE 44 2HD1 ILE 44 -10.245 18.006 -6.068 316 HD13 ILE 44 3HD1 ILE 44 -9.475 19.193 -7.135 317 H GLY 45 H GLY 45 -7.974 19.403 -2.048 318 HA2 GLY 45 1HA GLY 45 -5.537 18.046 -2.496 319 HA3 GLY 45 2HA GLY 45 -5.212 19.321 -1.309 320 H TYR 46 H TYR 46 -4.708 17.651 0.205 321 HA TYR 46 HA TYR 46 -7.111 16.819 1.671 322 HB2 TYR 46 1HB TYR 46 -6.553 14.462 1.674 323 HB3 TYR 46 2HB TYR 46 -6.720 14.992 0.006 324 HD1 TYR 46 HD1 TYR 46 -4.499 13.710 2.575 325 HD2 TYR 46 HD2 TYR 46 -4.662 15.260 -1.430 326 HE1 TYR 46 HE1 TYR 46 -2.222 12.755 2.072 327 HE2 TYR 46 HE2 TYR 46 -2.385 14.342 -1.902 328 HH TYR 46 HH TYR 46 -0.563 13.197 -1.051 329 H TYR 47 H TYR 47 -6.378 15.692 3.765 330 HA TYR 47 HA TYR 47 -3.704 16.801 4.567 331 HB2 TYR 47 1HB TYR 47 -6.131 16.131 6.215 332 HB3 TYR 47 2HB TYR 47 -4.548 16.394 6.903 333 HD1 TYR 47 HD1 TYR 47 -6.967 18.224 4.610 334 HD2 TYR 47 HD2 TYR 47 -4.004 18.479 7.729 335 HE1 TYR 47 HE1 TYR 47 -7.408 20.645 4.849 336 HE2 TYR 47 HE2 TYR 47 -4.470 20.911 7.951 337 HH TYR 47 HH TYR 47 -7.014 22.540 6.077 338 H ARG 48 H ARG 48 -2.231 15.441 5.378 339 HA ARG 48 HA ARG 48 -2.826 12.518 5.094 340 HB2 ARG 48 1HB ARG 48 -1.211 13.754 3.527 341 HB3 ARG 48 2HB ARG 48 -0.140 13.941 4.905 342 HG2 ARG 48 1HG ARG 48 0.180 11.568 5.082 343 HG3 ARG 48 2HG ARG 48 -1.133 11.258 3.927 344 HD2 ARG 48 1HD ARG 48 0.157 12.541 2.199 345 HD3 ARG 48 2HD ARG 48 1.518 12.618 3.329 346 HE ARG 48 HE ARG 48 0.550 10.290 1.815 347 HH11 ARG 48 1HH1 ARG 48 2.680 11.361 4.417 348 HH12 ARG 48 2HH1 ARG 48 3.665 9.926 4.324 349 HH21 ARG 48 1HH2 ARG 48 1.842 8.483 1.769 350 HH22 ARG 48 2HH2 ARG 48 3.196 8.326 2.852 351 H ARG 49 H ARG 49 -2.842 11.404 6.947 352 HA ARG 49 HA ARG 49 -1.859 12.515 9.433 353 HB2 ARG 49 1HB ARG 49 -3.724 10.857 9.166 354 HB3 ARG 49 2HB ARG 49 -2.529 9.623 8.758 355 HG2 ARG 49 1HG ARG 49 -1.658 9.577 10.948 356 HG3 ARG 49 2HG ARG 49 -2.339 11.168 11.343 357 HD2 ARG 49 1HD ARG 49 -3.645 9.495 12.480 358 HD3 ARG 49 2HD ARG 49 -4.615 10.227 11.210 359 HE ARG 49 HE ARG 49 -4.553 8.222 9.957 360 HH11 ARG 49 1HH1 ARG 49 -2.961 7.841 13.077 361 HH12 ARG 49 2HH1 ARG 49 -3.021 6.101 12.996 362 HH21 ARG 49 1HH2 ARG 49 -4.611 5.986 9.932 363 HH22 ARG 49 2HH2 ARG 49 -3.936 5.085 11.253 364 H ALA 50 H ALA 50 0.008 12.160 10.540 365 HA ALA 50 HA ALA 50 2.014 10.263 9.445 366 HB1 ALA 50 1HB ALA 50 2.538 12.407 8.352 367 HB2 ALA 50 2HB ALA 50 3.768 12.041 9.591 368 HB3 ALA 50 3HB ALA 50 2.494 13.240 9.927 369 H THR 51 H THR 51 3.521 9.565 10.990 370 HA THR 51 HA THR 51 3.570 10.792 13.644 371 HB THR 51 HB THR 51 1.602 9.204 13.807 372 HG1 THR 51 HG1 THR 51 2.236 8.752 15.781 373 HG21 THR 51 1HG2 THR 51 1.991 6.797 13.800 374 HG22 THR 51 2HG2 THR 51 3.700 7.033 13.385 375 HG23 THR 51 3HG2 THR 51 2.427 7.467 12.216 376 H ARG 52 H ARG 52 5.276 9.598 14.964 377 HA ARG 52 HA ARG 52 7.172 8.014 13.336 378 HB2 ARG 52 1HB ARG 52 7.675 10.548 13.100 379 HB3 ARG 52 2HB ARG 52 8.139 10.492 14.801 380 HG2 ARG 52 1HG ARG 52 10.171 10.260 13.663 381 HG3 ARG 52 2HG ARG 52 9.765 8.584 14.079 382 HD2 ARG 52 1HD ARG 52 8.879 8.216 11.812 383 HD3 ARG 52 2HD ARG 52 9.149 9.923 11.411 384 HE ARG 52 HE ARG 52 11.603 8.713 12.265 385 HH11 ARG 52 1HH1 ARG 52 9.443 8.796 9.470 386 HH12 ARG 52 2HH1 ARG 52 10.734 8.456 8.349 387 HH21 ARG 52 1HH2 ARG 52 13.194 8.264 10.773 388 HH22 ARG 52 2HH2 ARG 52 12.813 8.158 9.077 389 H ARG 53 H ARG 53 8.042 6.437 14.587 390 HA ARG 53 HA ARG 53 8.079 6.818 17.546 391 HB2 ARG 53 1HB ARG 53 6.053 5.543 16.793 392 HB3 ARG 53 2HB ARG 53 7.103 4.360 16.027 393 HG2 ARG 53 1HG ARG 53 6.438 3.365 18.048 394 HG3 ARG 53 2HG ARG 53 8.076 3.953 18.369 395 HD2 ARG 53 1HD ARG 53 6.739 4.519 20.263 396 HD3 ARG 53 2HD ARG 53 7.045 6.021 19.389 397 HE ARG 53 HE ARG 53 4.729 5.788 18.444 398 HH11 ARG 53 1HH1 ARG 53 5.441 4.061 21.455 399 HH12 ARG 53 2HH1 ARG 53 3.792 4.182 22.008 400 HH21 ARG 53 1HH2 ARG 53 2.630 5.807 19.205 401 HH22 ARG 53 2HH2 ARG 53 2.259 5.132 20.774 402 H ILE 54 H ILE 54 9.786 6.009 18.529 403 HA ILE 54 HA ILE 54 11.711 4.403 16.976 404 HB ILE 54 HB ILE 54 13.514 5.839 17.358 405 HG12 ILE 54 1HG1 ILE 54 13.306 6.289 19.705 406 HG13 ILE 54 2HG1 ILE 54 13.591 7.778 18.836 407 HG21 ILE 54 1HG2 ILE 54 12.992 8.023 16.433 408 HG22 ILE 54 2HG2 ILE 54 11.279 7.845 16.869 409 HG23 ILE 54 3HG2 ILE 54 12.004 6.779 15.637 410 HD11 ILE 54 1HD1 ILE 54 12.051 8.179 20.602 411 HD12 ILE 54 2HD1 ILE 54 10.997 6.866 20.054 412 HD13 ILE 54 3HD1 ILE 54 11.188 8.331 19.058 413 H ARG 55 H ARG 55 13.520 3.775 18.598 414 HA ARG 55 HA ARG 55 12.388 3.251 21.330 415 HB2 ARG 55 1HB ARG 55 12.499 1.170 19.938 416 HB3 ARG 55 2HB ARG 55 14.201 1.494 19.608 417 HG2 ARG 55 1HG ARG 55 13.951 1.468 22.450 418 HG3 ARG 55 2HG ARG 55 13.008 0.094 21.842 419 HD2 ARG 55 1HD ARG 55 15.055 -0.435 20.357 420 HD3 ARG 55 2HD ARG 55 15.953 0.703 21.368 421 HE ARG 55 HE ARG 55 14.867 -1.948 22.152 422 HH11 ARG 55 1HH1 ARG 55 16.665 0.914 23.187 423 HH12 ARG 55 2HH1 ARG 55 17.350 0.091 24.569 424 HH21 ARG 55 1HH2 ARG 55 15.760 -2.909 23.946 425 HH22 ARG 55 2HH2 ARG 55 16.820 -2.009 24.997 426 H GLY 56 H GLY 56 13.580 4.468 22.748 427 HA2 GLY 56 1HA GLY 56 16.112 5.638 21.936 428 HA3 GLY 56 2HA GLY 56 15.387 5.686 23.561 429 H GLY 57 H GLY 57 18.099 5.296 23.515 430 HA2 GLY 57 1HA GLY 57 18.848 2.526 23.247 431 HA3 GLY 57 2HA GLY 57 19.781 3.787 24.082 432 H ASP 58 H ASP 58 17.791 4.585 25.876 433 HA ASP 58 HA ASP 58 18.015 2.619 27.999 434 HB2 ASP 58 1HB ASP 58 18.133 5.064 28.327 435 HB3 ASP 58 2HB ASP 58 16.494 5.223 27.704 436 H GLY 59 H GLY 59 15.863 3.142 25.391 437 HA2 GLY 59 1HA GLY 59 14.370 1.374 24.801 438 HA3 GLY 59 2HA GLY 59 14.057 1.076 26.515 439 H LYS 60 H LYS 60 14.006 4.320 26.388 440 HA LYS 60 HA LYS 60 11.214 4.328 26.628 441 HB2 LYS 60 1HB LYS 60 11.267 6.589 27.133 442 HB3 LYS 60 2HB LYS 60 12.674 5.816 27.856 443 HG2 LYS 60 1HG LYS 60 13.079 7.138 25.211 444 HG3 LYS 60 2HG LYS 60 12.777 8.187 26.603 445 HD2 LYS 60 1HD LYS 60 14.763 5.943 26.660 446 HD3 LYS 60 2HD LYS 60 15.208 7.563 26.084 447 HE2 LYS 60 1HE LYS 60 14.170 6.844 28.875 448 HE3 LYS 60 2HE LYS 60 15.836 7.238 28.469 449 HZ1 LYS 60 1HZ LYS 60 14.712 9.081 29.488 450 HZ2 LYS 60 2HZ LYS 60 13.558 9.112 28.311 451 HZ3 LYS 60 3HZ LYS 60 15.124 9.481 27.942 452 H MET 61 H MET 61 9.613 5.016 25.474 453 HA MET 61 HA MET 61 10.025 5.022 22.545 454 HB2 MET 61 1HB MET 61 7.466 4.923 24.189 455 HB3 MET 61 2HB MET 61 7.604 4.648 22.451 456 HG2 MET 61 1HG MET 61 8.740 2.915 24.675 457 HG3 MET 61 2HG MET 61 7.389 2.519 23.605 458 HE1 MET 61 1HE MET 61 8.447 3.358 20.684 459 HE2 MET 61 2HE MET 61 7.609 1.851 21.153 460 HE3 MET 61 3HE MET 61 9.127 1.782 20.223 461 H LYS 62 H LYS 62 8.619 6.516 21.241 462 HA LYS 62 HA LYS 62 8.926 9.259 22.214 463 HB2 LYS 62 1HB LYS 62 8.960 8.155 19.719 464 HB3 LYS 62 2HB LYS 62 7.350 8.881 19.780 465 HG2 LYS 62 1HG LYS 62 8.752 10.867 20.899 466 HG3 LYS 62 2HG LYS 62 10.027 10.172 19.877 467 HD2 LYS 62 1HD LYS 62 8.522 10.335 17.956 468 HD3 LYS 62 2HD LYS 62 7.284 11.020 19.023 469 HE2 LYS 62 1HE LYS 62 8.931 12.851 19.610 470 HE3 LYS 62 2HE LYS 62 9.983 12.224 18.323 471 HZ1 LYS 62 1HZ LYS 62 7.217 13.241 17.953 472 HZ2 LYS 62 2HZ LYS 62 8.185 12.663 16.748 473 HZ3 LYS 62 3HZ LYS 62 8.597 14.049 17.545 474 H ASP 63 H ASP 63 6.223 7.221 21.265 475 HA ASP 63 HA ASP 63 3.977 7.445 21.407 476 HB2 ASP 63 1HB ASP 63 5.168 7.357 23.990 477 HB3 ASP 63 2HB ASP 63 3.650 8.251 24.101 478 H LEU 64 H LEU 64 5.192 10.084 20.590 479 HA LEU 64 HA LEU 64 3.392 12.059 21.723 480 HB2 LEU 64 1HB LEU 64 5.660 12.011 19.923 481 HB3 LEU 64 2HB LEU 64 4.347 12.955 19.224 482 HG LEU 64 HG LEU 64 4.243 14.305 21.319 483 HD11 LEU 64 1HD1 LEU 64 6.175 14.213 22.887 484 HD12 LEU 64 2HD1 LEU 64 6.762 12.748 22.063 485 HD13 LEU 64 3HD1 LEU 64 5.214 12.724 22.931 486 HD21 LEU 64 1HD2 LEU 64 6.236 15.608 20.833 487 HD22 LEU 64 2HD2 LEU 64 5.537 15.001 19.319 488 HD23 LEU 64 3HD2 LEU 64 6.983 14.222 20.016 489 H SER 65 H SER 65 1.736 13.151 20.637 490 HA SER 65 HA SER 65 -0.182 11.500 19.449 491 HB2 SER 65 1HB SER 65 -0.777 14.135 18.714 492 HB3 SER 65 2HB SER 65 -1.279 13.310 20.208 493 HG SER 65 HG SER 65 -0.134 15.288 20.579 494 HA PRO 66 HA PRO 66 0.895 11.638 15.184 495 HB2 PRO 66 1HB PRO 66 -1.488 11.244 13.922 496 HB3 PRO 66 2HB PRO 66 -0.689 9.945 14.868 497 HG2 PRO 66 1HG PRO 66 -2.884 11.809 15.693 498 HG3 PRO 66 2HG PRO 66 -2.794 10.032 15.859 499 HD2 PRO 66 1HD PRO 66 -2.183 11.721 17.904 500 HD3 PRO 66 2HD PRO 66 -1.322 10.158 17.669 501 H ARG 67 H ARG 67 0.713 12.975 13.277 502 HA ARG 67 HA ARG 67 -0.671 15.578 13.794 503 HB2 ARG 67 1HB ARG 67 1.884 15.406 12.227 504 HB3 ARG 67 2HB ARG 67 1.208 16.760 13.138 505 HG2 ARG 67 1HG ARG 67 1.684 15.307 15.235 506 HG3 ARG 67 2HG ARG 67 2.712 14.357 14.136 507 HD2 ARG 67 1HD ARG 67 4.193 15.875 14.997 508 HD3 ARG 67 2HD ARG 67 3.695 16.656 13.483 509 HE ARG 67 HE ARG 67 1.968 17.498 15.600 510 HH11 ARG 67 1HH1 ARG 67 5.295 18.002 14.526 511 HH12 ARG 67 2HH1 ARG 67 5.397 19.578 15.288 512 HH21 ARG 67 1HH2 ARG 67 2.190 19.472 16.567 513 HH22 ARG 67 2HH2 ARG 67 3.698 20.371 16.448 514 H TRP 68 H TRP 68 -1.085 16.804 11.794 515 HA TRP 68 HA TRP 68 -1.390 14.996 9.420 516 HB2 TRP 68 1HB TRP 68 -3.304 17.058 10.539 517 HB3 TRP 68 2HB TRP 68 -3.442 16.375 8.921 518 HD1 TRP 68 HD1 TRP 68 -3.608 15.234 12.618 519 HE1 TRP 68 HE1 TRP 68 -5.129 13.198 12.806 520 HE3 TRP 68 HE3 TRP 68 -4.404 14.473 7.630 521 HZ2 TRP 68 HZ2 TRP 68 -6.557 11.534 11.036 522 HZ3 TRP 68 HZ3 TRP 68 -5.922 12.623 6.926 523 HH2 TRP 68 HH2 TRP 68 -7.003 11.169 8.639 524 H TYR 69 H TYR 69 -0.569 15.797 7.580 525 HA TYR 69 HA TYR 69 0.294 18.688 7.574 526 HB2 TYR 69 1HB TYR 69 1.308 16.215 6.118 527 HB3 TYR 69 2HB TYR 69 1.812 17.858 5.720 528 HD1 TYR 69 HD1 TYR 69 3.547 18.958 6.939 529 HD2 TYR 69 HD2 TYR 69 1.886 15.286 8.475 530 HE1 TYR 69 HE1 TYR 69 5.404 18.799 8.595 531 HE2 TYR 69 HE2 TYR 69 3.741 15.156 10.132 532 HH TYR 69 HH TYR 69 5.665 16.088 10.902 533 H PHE 70 H PHE 70 -0.245 19.857 5.576 534 HA PHE 70 HA PHE 70 -2.569 18.662 4.183 535 HB2 PHE 70 1HB PHE 70 -2.882 20.945 5.005 536 HB3 PHE 70 2HB PHE 70 -1.427 21.475 4.151 537 HD1 PHE 70 HD1 PHE 70 -4.770 19.878 3.518 538 HD2 PHE 70 HD2 PHE 70 -1.602 22.330 1.960 539 HE1 PHE 70 HE1 PHE 70 -6.123 20.322 1.476 540 HE2 PHE 70 HE2 PHE 70 -2.966 22.801 -0.072 541 HZ PHE 70 HZ PHE 70 -5.228 21.796 -0.321 542 H TYR 71 H TYR 71 -2.470 18.063 2.109 543 HA TYR 71 HA TYR 71 0.034 18.629 0.615 544 HB2 TYR 71 1HB TYR 71 -1.035 16.059 1.635 545 HB3 TYR 71 2HB TYR 71 -0.390 16.044 -0.029 546 HD1 TYR 71 HD1 TYR 71 0.409 15.847 3.469 547 HD2 TYR 71 HD2 TYR 71 2.034 17.060 -0.327 548 HE1 TYR 71 HE1 TYR 71 2.722 15.722 4.408 549 HE2 TYR 71 HE2 TYR 71 4.342 16.956 0.633 550 HH TYR 71 HH TYR 71 4.935 15.958 4.021 551 H TYR 72 H TYR 72 -0.340 19.150 -1.370 552 HA TYR 72 HA TYR 72 -2.964 19.706 -2.304 553 HB2 TYR 72 1HB TYR 72 -0.364 19.616 -3.828 554 HB3 TYR 72 2HB TYR 72 -1.862 20.447 -4.280 555 HD1 TYR 72 HD1 TYR 72 1.041 20.501 -1.973 556 HD2 TYR 72 HD2 TYR 72 -2.565 22.505 -3.214 557 HE1 TYR 72 HE1 TYR 72 1.686 22.501 -0.654 558 HE2 TYR 72 HE2 TYR 72 -1.889 24.498 -1.931 559 HH TYR 72 HH TYR 72 -0.333 25.455 -0.595 560 H LEU 73 H LEU 73 -3.935 18.961 -4.324 561 HA LEU 73 HA LEU 73 -4.369 16.193 -4.376 562 HB2 LEU 73 1HB LEU 73 -5.406 18.365 -5.643 563 HB3 LEU 73 2HB LEU 73 -4.516 17.649 -6.970 564 HG LEU 73 HG LEU 73 -6.880 16.525 -5.464 565 HD11 LEU 73 1HD1 LEU 73 -7.889 16.528 -7.662 566 HD12 LEU 73 2HD1 LEU 73 -6.344 16.957 -8.423 567 HD13 LEU 73 3HD1 LEU 73 -7.174 18.120 -7.369 568 HD21 LEU 73 1HD2 LEU 73 -6.690 14.535 -7.005 569 HD22 LEU 73 2HD2 LEU 73 -5.525 14.578 -5.678 570 HD23 LEU 73 3HD2 LEU 73 -5.017 15.024 -7.331 571 H GLY 74 H GLY 74 -3.279 14.460 -5.127 572 HA2 GLY 74 1HA GLY 74 -1.885 13.198 -6.439 573 HA3 GLY 74 2HA GLY 74 -1.691 14.581 -7.513 574 H THR 75 H THR 75 -0.766 14.878 -4.092 575 HA THR 75 HA THR 75 2.066 14.862 -5.044 576 HB THR 75 HB THR 75 2.597 16.226 -3.034 577 HG1 THR 75 HG1 THR 75 -0.230 16.518 -2.762 578 HG21 THR 75 1HG2 THR 75 1.585 18.315 -3.820 579 HG22 THR 75 2HG2 THR 75 0.416 17.401 -4.799 580 HG23 THR 75 3HG2 THR 75 2.153 17.330 -5.181 581 H GLY 76 H GLY 76 3.665 13.927 -3.862 582 HA2 GLY 76 1HA GLY 76 4.351 12.639 -1.876 583 HA3 GLY 76 2HA GLY 76 2.783 11.803 -1.939 584 HA PRO 77 HA PRO 77 6.058 10.341 -5.170 585 HB2 PRO 77 1HB PRO 77 7.582 8.413 -3.937 586 HB3 PRO 77 2HB PRO 77 7.998 10.149 -3.940 587 HG2 PRO 77 1HG PRO 77 6.584 8.584 -1.799 588 HG3 PRO 77 2HG PRO 77 7.997 9.679 -1.651 589 HD2 PRO 77 1HD PRO 77 5.503 10.544 -1.110 590 HD3 PRO 77 2HD PRO 77 6.685 11.604 -1.959 591 H GLU 78 H GLU 78 4.766 8.201 -2.650 592 HA GLU 78 HA GLU 78 3.959 6.230 -4.750 593 HB2 GLU 78 1HB GLU 78 4.014 4.573 -2.942 594 HB3 GLU 78 2HB GLU 78 5.560 5.417 -3.071 595 HG2 GLU 78 1HG GLU 78 4.615 6.972 -1.194 596 HG3 GLU 78 2HG GLU 78 3.459 5.664 -0.916 597 H ALA 79 H ALA 79 2.602 8.779 -3.862 598 HA ALA 79 HA ALA 79 0.481 8.132 -2.083 599 HB1 ALA 79 1HB ALA 79 1.072 10.449 -2.520 600 HB2 ALA 79 2HB ALA 79 -0.611 10.197 -3.021 601 HB3 ALA 79 3HB ALA 79 0.680 10.281 -4.245 602 H GLY 80 H GLY 80 0.413 8.365 -5.688 603 HA2 GLY 80 1HA GLY 80 -1.081 7.452 -7.205 604 HA3 GLY 80 2HA GLY 80 -1.235 6.106 -6.061 605 H LEU 81 H LEU 81 -2.118 9.501 -5.431 606 HA LEU 81 HA LEU 81 -4.851 8.530 -4.866 607 HB2 LEU 81 1HB LEU 81 -3.005 10.524 -3.595 608 HB3 LEU 81 2HB LEU 81 -4.726 10.696 -3.414 609 HG LEU 81 HG LEU 81 -3.132 8.309 -2.495 610 HD11 LEU 81 1HD1 LEU 81 -4.406 10.618 -0.984 611 HD12 LEU 81 2HD1 LEU 81 -2.664 10.340 -1.212 612 HD13 LEU 81 3HD1 LEU 81 -3.623 9.204 -0.243 613 HD21 LEU 81 1HD2 LEU 81 -5.426 7.655 -3.095 614 HD22 LEU 81 2HD2 LEU 81 -6.072 8.981 -2.099 615 HD23 LEU 81 3HD2 LEU 81 -5.208 7.641 -1.333 616 HA PRO 82 HA PRO 82 -6.207 11.784 -7.735 617 HB2 PRO 82 1HB PRO 82 -8.447 10.471 -8.540 618 HB3 PRO 82 2HB PRO 82 -6.836 10.050 -9.210 619 HG2 PRO 82 1HG PRO 82 -8.418 8.696 -7.050 620 HG3 PRO 82 2HG PRO 82 -7.502 7.975 -8.397 621 HD2 PRO 82 1HD PRO 82 -6.568 8.163 -5.860 622 HD3 PRO 82 2HD PRO 82 -5.528 8.076 -7.302 623 H TYR 83 H TYR 83 -8.309 13.056 -7.463 624 HA TYR 83 HA TYR 83 -8.780 13.483 -4.700 625 HB2 TYR 83 1HB TYR 83 -9.092 15.179 -6.473 626 HB3 TYR 83 2HB TYR 83 -10.504 14.299 -7.057 627 HD1 TYR 83 HD1 TYR 83 -9.113 16.199 -4.155 628 HD2 TYR 83 HD2 TYR 83 -12.655 14.586 -5.985 629 HE1 TYR 83 HE1 TYR 83 -10.522 17.443 -2.521 630 HE2 TYR 83 HE2 TYR 83 -14.062 15.856 -4.356 631 HH TYR 83 HH TYR 83 -14.079 17.392 -2.652 632 H GLY 84 H GLY 84 -10.137 12.655 -3.264 633 HA2 GLY 84 1HA GLY 84 -12.154 11.736 -2.514 634 HA3 GLY 84 2HA GLY 84 -12.588 11.303 -4.170 635 H ALA 85 H ALA 85 -9.501 10.143 -3.953 636 HA ALA 85 HA ALA 85 -10.397 7.439 -3.711 637 HB1 ALA 85 1HB ALA 85 -8.454 7.797 -4.962 638 HB2 ALA 85 2HB ALA 85 -7.907 6.961 -3.496 639 HB3 ALA 85 3HB ALA 85 -7.665 8.719 -3.666 640 H ASN 86 H ASN 86 -10.663 6.109 -2.061 641 HA ASN 86 HA ASN 86 -10.468 7.179 0.648 642 HB2 ASN 86 1HB ASN 86 -12.346 5.719 -0.143 643 HB3 ASN 86 2HB ASN 86 -11.191 4.386 -0.316 644 HD21 ASN 86 1HD2 ASN 86 -11.953 3.418 2.929 645 HD22 ASN 86 2HD2 ASN 86 -11.874 3.010 1.232 646 H LYS 87 H LYS 87 -8.818 6.935 2.031 647 HA LYS 87 HA LYS 87 -7.107 4.555 1.944 648 HB2 LYS 87 1HB LYS 87 -6.122 6.055 0.227 649 HB3 LYS 87 2HB LYS 87 -5.985 7.324 1.409 650 HG2 LYS 87 1HG LYS 87 -4.241 6.270 2.581 651 HG3 LYS 87 2HG LYS 87 -4.629 4.667 1.908 652 HD2 LYS 87 1HD LYS 87 -3.538 6.973 0.279 653 HD3 LYS 87 2HD LYS 87 -2.524 5.729 1.019 654 HE2 LYS 87 1HE LYS 87 -3.774 3.981 -0.286 655 HE3 LYS 87 2HE LYS 87 -4.670 5.271 -1.108 656 HZ1 LYS 87 1HZ LYS 87 -2.789 4.510 -2.430 657 HZ2 LYS 87 2HZ LYS 87 -1.723 4.890 -1.235 658 HZ3 LYS 87 3HZ LYS 87 -2.555 6.084 -2.010 659 H ASP 88 H ASP 88 -5.869 4.417 3.922 660 HA ASP 88 HA ASP 88 -7.228 5.533 6.195 661 HB2 ASP 88 1HB ASP 88 -6.059 3.379 6.325 662 HB3 ASP 88 2HB ASP 88 -4.521 4.174 5.947 663 H GLY 89 H GLY 89 -6.811 7.290 7.428 664 HA2 GLY 89 1HA GLY 89 -5.789 9.210 8.161 665 HA3 GLY 89 2HA GLY 89 -4.263 8.570 7.534 666 H ILE 90 H ILE 90 -7.021 9.022 5.392 667 HA ILE 90 HA ILE 90 -5.749 11.500 4.319 668 HB ILE 90 HB ILE 90 -6.905 9.181 2.669 669 HG12 ILE 90 1HG1 ILE 90 -4.688 8.654 3.566 670 HG13 ILE 90 2HG1 ILE 90 -4.665 8.840 1.824 671 HG21 ILE 90 1HG2 ILE 90 -7.427 11.255 1.542 672 HG22 ILE 90 2HG2 ILE 90 -6.028 10.561 0.708 673 HG23 ILE 90 3HG2 ILE 90 -5.806 11.913 1.846 674 HD11 ILE 90 1HD1 ILE 90 -3.827 11.101 3.608 675 HD12 ILE 90 2HD1 ILE 90 -3.458 10.800 1.894 676 HD13 ILE 90 3HD1 ILE 90 -2.730 9.772 3.144 677 H ILE 91 H ILE 91 -7.075 13.133 4.124 678 HA ILE 91 HA ILE 91 -9.992 12.583 3.750 679 HB ILE 91 HB ILE 91 -10.486 14.592 5.213 680 HG12 ILE 91 1HG1 ILE 91 -8.076 14.276 6.851 681 HG13 ILE 91 2HG1 ILE 91 -7.687 14.853 5.254 682 HG21 ILE 91 1HG2 ILE 91 -10.469 13.343 7.294 683 HG22 ILE 91 2HG2 ILE 91 -9.208 12.245 6.684 684 HG23 ILE 91 3HG2 ILE 91 -10.831 12.225 5.962 685 HD11 ILE 91 1HD1 ILE 91 -8.100 16.705 6.814 686 HD12 ILE 91 2HD1 ILE 91 -9.769 16.141 7.030 687 HD13 ILE 91 3HD1 ILE 91 -9.209 16.712 5.434 688 H TRP 92 H TRP 92 -10.654 13.468 1.918 689 HA TRP 92 HA TRP 92 -9.021 15.500 0.617 690 HB2 TRP 92 1HB TRP 92 -11.599 14.116 -0.173 691 HB3 TRP 92 2HB TRP 92 -10.707 15.253 -1.198 692 HD1 TRP 92 HD1 TRP 92 -10.618 11.690 0.063 693 HE1 TRP 92 HE1 TRP 92 -8.727 10.385 -1.006 694 HE3 TRP 92 HE3 TRP 92 -8.282 15.626 -2.242 695 HZ2 TRP 92 HZ2 TRP 92 -6.477 10.984 -2.605 696 HZ3 TRP 92 HZ3 TRP 92 -6.202 15.180 -3.525 697 HH2 TRP 92 HH2 TRP 92 -5.303 12.863 -3.706 698 H VAL 93 H VAL 93 -9.372 17.569 0.280 699 HA VAL 93 HA VAL 93 -11.988 18.757 1.058 700 HB VAL 93 HB VAL 93 -10.732 20.679 2.124 701 HG11 VAL 93 1HG1 VAL 93 -10.328 19.565 4.276 702 HG12 VAL 93 2HG1 VAL 93 -10.300 17.977 3.477 703 HG13 VAL 93 3HG1 VAL 93 -11.800 18.934 3.515 704 HG21 VAL 93 1HG2 VAL 93 -8.423 20.399 2.844 705 HG22 VAL 93 2HG2 VAL 93 -8.495 20.195 1.082 706 HG23 VAL 93 3HG2 VAL 93 -8.349 18.770 2.136 707 H ALA 94 H ALA 94 -12.324 20.835 0.036 708 HA ALA 94 HA ALA 94 -10.522 21.834 -2.007 709 HB1 ALA 94 1HB ALA 94 -11.483 19.852 -3.241 710 HB2 ALA 94 2HB ALA 94 -12.059 21.389 -3.924 711 HB3 ALA 94 3HB ALA 94 -13.122 20.433 -2.864 712 H THR 95 H THR 95 -11.762 23.752 -3.020 713 HA THR 95 HA THR 95 -14.099 24.601 -1.399 714 HB THR 95 HB THR 95 -11.953 25.616 -0.418 715 HG1 THR 95 HG1 THR 95 -12.904 27.755 -0.457 716 HG21 THR 95 1HG2 THR 95 -10.784 27.311 -1.596 717 HG22 THR 95 2HG2 THR 95 -11.978 27.343 -2.913 718 HG23 THR 95 3HG2 THR 95 -10.892 25.952 -2.731 719 H GLU 96 H GLU 96 -14.772 26.873 -2.594 720 HA GLU 96 HA GLU 96 -15.554 26.064 -5.220 721 HB2 GLU 96 1HB GLU 96 -16.775 27.623 -3.686 722 HB3 GLU 96 2HB GLU 96 -15.545 28.851 -4.009 723 HG2 GLU 96 1HG GLU 96 -16.154 28.882 -6.373 724 HG3 GLU 96 2HG GLU 96 -17.309 27.562 -6.115 725 H GLY 97 H GLY 97 -14.684 26.417 -7.176 726 HA2 GLY 97 1HA GLY 97 -13.453 27.587 -8.803 727 HA3 GLY 97 2HA GLY 97 -12.596 28.464 -7.532 728 H ALA 98 H ALA 98 -12.371 25.448 -6.404 729 HA ALA 98 HA ALA 98 -9.653 25.171 -7.290 730 HB1 ALA 98 1HB ALA 98 -10.613 24.540 -5.051 731 HB2 ALA 98 2HB ALA 98 -9.563 23.337 -5.817 732 HB3 ALA 98 3HB ALA 98 -11.332 23.120 -5.850 733 H LEU 99 H LEU 99 -8.764 23.910 -8.896 734 HA LEU 99 HA LEU 99 -10.676 22.520 -10.697 735 HB2 LEU 99 1HB LEU 99 -7.760 23.259 -10.920 736 HB3 LEU 99 2HB LEU 99 -8.525 22.157 -12.038 737 HG LEU 99 HG LEU 99 -9.226 25.082 -11.703 738 HD11 LEU 99 1HD1 LEU 99 -8.217 25.179 -13.982 739 HD12 LEU 99 2HD1 LEU 99 -7.803 23.448 -13.850 740 HD13 LEU 99 3HD1 LEU 99 -7.056 24.639 -12.753 741 HD21 LEU 99 1HD2 LEU 99 -11.235 23.850 -12.343 742 HD22 LEU 99 2HD2 LEU 99 -10.331 22.955 -13.592 743 HD23 LEU 99 3HD2 LEU 99 -10.600 24.706 -13.758 744 H ASN 100 H ASN 100 -10.734 20.413 -11.052 745 HA ASN 100 HA ASN 100 -9.364 18.664 -9.148 746 HB2 ASN 100 1HB ASN 100 -11.759 18.375 -9.840 747 HB3 ASN 100 2HB ASN 100 -11.197 17.938 -11.460 748 HD21 ASN 100 1HD2 ASN 100 -11.421 14.640 -10.291 749 HD22 ASN 100 2HD2 ASN 100 -12.131 15.883 -11.291 750 H THR 101 H THR 101 -7.210 19.402 -10.049 751 HA THR 101 HA THR 101 -6.304 17.344 -11.974 752 HB THR 101 HB THR 101 -6.830 19.622 -13.179 753 HG1 THR 101 HG1 THR 101 -5.001 19.319 -14.493 754 HG21 THR 101 1HG2 THR 101 -5.105 21.290 -13.106 755 HG22 THR 101 2HG2 THR 101 -4.133 20.302 -11.988 756 HG23 THR 101 3HG2 THR 101 -5.679 21.013 -11.447 757 HA PRO 102 HA PRO 102 -3.107 17.058 -8.956 758 HB2 PRO 102 1HB PRO 102 -1.060 16.959 -11.152 759 HB3 PRO 102 2HB PRO 102 -1.387 15.769 -9.852 760 HG2 PRO 102 1HG PRO 102 -2.128 15.259 -12.336 761 HG3 PRO 102 2HG PRO 102 -3.237 14.897 -10.975 762 HD2 PRO 102 1HD PRO 102 -3.237 17.259 -12.837 763 HD3 PRO 102 2HD PRO 102 -4.597 16.193 -12.348 764 H LYS 103 H LYS 103 -1.456 18.145 -7.854 765 HA LYS 103 HA LYS 103 -0.612 20.790 -9.003 766 HB2 LYS 103 1HB LYS 103 -1.188 20.104 -6.131 767 HB3 LYS 103 2HB LYS 103 -0.809 21.693 -6.759 768 HG2 LYS 103 1HG LYS 103 -3.321 20.098 -7.246 769 HG3 LYS 103 2HG LYS 103 -3.174 21.493 -6.186 770 HD2 LYS 103 1HD LYS 103 -2.732 22.949 -8.103 771 HD3 LYS 103 2HD LYS 103 -2.772 21.554 -9.201 772 HE2 LYS 103 1HE LYS 103 -5.084 21.074 -8.461 773 HE3 LYS 103 2HE LYS 103 -5.046 22.542 -7.478 774 HZ1 LYS 103 1HZ LYS 103 -6.096 22.953 -9.561 775 HZ2 LYS 103 2HZ LYS 103 -4.787 22.420 -10.412 776 HZ3 LYS 103 3HZ LYS 103 -4.690 23.806 -9.522 777 H ASP 104 H ASP 104 0.865 18.437 -9.318 778 HA ASP 104 HA ASP 104 2.658 17.724 -7.294 779 HB2 ASP 104 1HB ASP 104 4.054 16.843 -9.074 780 HB3 ASP 104 2HB ASP 104 2.353 16.551 -9.473 781 H HIS 105 H HIS 105 2.960 20.328 -9.703 782 HA HIS 105 HA HIS 105 5.623 21.069 -8.932 783 HB2 HIS 105 1HB HIS 105 5.360 22.892 -10.425 784 HB3 HIS 105 2HB HIS 105 4.484 21.526 -11.131 785 HD1 HIS 105 HD1 HIS 105 4.013 24.981 -9.694 786 HD2 HIS 105 HD2 HIS 105 1.630 21.849 -11.144 787 HE1 HIS 105 HE1 HIS 105 1.676 25.939 -10.079 788 H ILE 106 H ILE 106 2.751 21.550 -7.174 789 HA ILE 106 HA ILE 106 3.735 24.116 -6.048 790 HB ILE 106 HB ILE 106 1.165 22.603 -5.352 791 HG12 ILE 106 1HG1 ILE 106 1.663 24.874 -7.323 792 HG13 ILE 106 2HG1 ILE 106 1.191 23.222 -7.725 793 HG21 ILE 106 1HG2 ILE 106 0.505 24.757 -4.316 794 HG22 ILE 106 2HG2 ILE 106 2.003 25.535 -4.866 795 HG23 ILE 106 3HG2 ILE 106 2.050 24.259 -3.628 796 HD11 ILE 106 1HD1 ILE 106 -0.816 24.309 -7.869 797 HD12 ILE 106 2HD1 ILE 106 -0.448 25.423 -6.526 798 HD13 ILE 106 3HD1 ILE 106 -0.875 23.716 -6.186 799 H GLY 107 H GLY 107 2.976 20.737 -5.096 800 HA2 GLY 107 1HA GLY 107 3.672 21.156 -2.337 801 HA3 GLY 107 2HA GLY 107 3.437 19.608 -3.142 802 H THR 108 H THR 108 5.847 21.605 -4.565 803 HA THR 108 HA THR 108 7.912 19.732 -3.599 804 HB THR 108 HB THR 108 7.591 20.090 -6.046 805 HG1 THR 108 HG1 THR 108 10.052 20.971 -4.915 806 HG21 THR 108 1HG2 THR 108 8.679 22.894 -5.552 807 HG22 THR 108 2HG2 THR 108 6.983 22.528 -5.932 808 HG23 THR 108 3HG2 THR 108 8.255 22.163 -7.113 809 H ARG 109 H ARG 109 6.875 22.019 -1.870 810 HA ARG 109 HA ARG 109 8.854 24.074 -1.737 811 HB2 ARG 109 1HB ARG 109 6.712 24.104 -0.408 812 HB3 ARG 109 2HB ARG 109 7.376 22.818 0.607 813 HG2 ARG 109 1HG ARG 109 9.320 24.388 1.143 814 HG3 ARG 109 2HG ARG 109 8.415 25.664 0.328 815 HD2 ARG 109 1HD ARG 109 8.079 25.797 2.739 816 HD3 ARG 109 2HD ARG 109 6.570 25.365 1.938 817 HE ARG 109 HE ARG 109 6.586 23.290 2.969 818 HH11 ARG 109 1HH1 ARG 109 9.727 24.833 3.617 819 HH12 ARG 109 2HH1 ARG 109 10.113 23.662 4.842 820 HH21 ARG 109 1HH2 ARG 109 7.152 21.915 4.531 821 HH22 ARG 109 2HH2 ARG 109 8.700 22.033 5.347 822 H ASN 110 H ASN 110 10.961 23.942 -1.323 823 HA ASN 110 HA ASN 110 12.032 21.377 -0.337 824 HB2 ASN 110 1HB ASN 110 12.994 23.560 -1.998 825 HB3 ASN 110 2HB ASN 110 14.093 23.293 -0.636 826 HD21 ASN 110 1HD2 ASN 110 15.665 20.933 -2.663 827 HD22 ASN 110 2HD2 ASN 110 15.750 22.509 -1.915 828 HA PRO 111 HA PRO 111 11.988 23.351 3.619 829 HB2 PRO 111 1HB PRO 111 13.212 21.486 5.169 830 HB3 PRO 111 2HB PRO 111 11.568 21.237 4.494 831 HG2 PRO 111 1HG PRO 111 14.212 20.252 3.439 832 HG3 PRO 111 2HG PRO 111 12.697 19.333 3.720 833 HD2 PRO 111 1HD PRO 111 13.381 20.290 1.268 834 HD3 PRO 111 2HD PRO 111 11.674 20.229 1.805 835 H ALA 112 H ALA 112 14.887 22.496 1.924 836 HA ALA 112 HA ALA 112 16.698 23.721 3.869 837 HB1 ALA 112 1HB ALA 112 17.127 22.881 0.964 838 HB2 ALA 112 2HB ALA 112 17.428 21.855 2.394 839 HB3 ALA 112 3HB ALA 112 18.396 23.323 2.128 840 H ASN 113 H ASN 113 14.713 24.691 1.198 841 HA ASN 113 HA ASN 113 16.278 27.183 0.796 842 HB2 ASN 113 1HB ASN 113 14.011 25.958 -0.822 843 HB3 ASN 113 2HB ASN 113 14.892 27.433 -1.235 844 HD21 ASN 113 1HD2 ASN 113 16.280 24.499 -3.087 845 HD22 ASN 113 2HD2 ASN 113 14.664 25.124 -2.853 846 H ASN 114 H ASN 114 13.201 26.044 2.081 847 HA ASN 114 HA ASN 114 12.543 28.828 2.800 848 HB2 ASN 114 1HB ASN 114 11.495 28.673 0.643 849 HB3 ASN 114 2HB ASN 114 10.768 27.100 1.044 850 HD21 ASN 114 1HD2 ASN 114 8.008 28.491 2.568 851 HD22 ASN 114 2HD2 ASN 114 8.771 27.182 1.699 852 H ALA 115 H ALA 115 11.051 29.060 4.456 853 HA ALA 115 HA ALA 115 10.767 26.674 6.169 854 HB1 ALA 115 1HB ALA 115 10.112 29.609 6.672 855 HB2 ALA 115 2HB ALA 115 11.625 28.786 7.128 856 HB3 ALA 115 3HB ALA 115 10.087 28.312 7.888 857 H ALA 116 H ALA 116 8.819 25.932 6.989 858 HA ALA 116 HA ALA 116 6.533 26.068 5.253 859 HB1 ALA 116 1HB ALA 116 7.173 24.038 6.583 860 HB2 ALA 116 2HB ALA 116 5.493 24.545 6.850 861 HB3 ALA 116 3HB ALA 116 6.735 24.913 8.069 862 H ILE 117 H ILE 117 4.515 26.903 5.613 863 HA ILE 117 HA ILE 117 4.413 29.369 7.219 864 HB ILE 117 HB ILE 117 2.357 28.018 5.418 865 HG12 ILE 117 1HG1 ILE 117 3.910 30.459 4.605 866 HG13 ILE 117 2HG1 ILE 117 4.671 28.880 4.454 867 HG21 ILE 117 1HG2 ILE 117 1.312 30.290 5.291 868 HG22 ILE 117 2HG2 ILE 117 2.485 30.878 6.489 869 HG23 ILE 117 3HG2 ILE 117 1.285 29.640 6.935 870 HD11 ILE 117 1HD1 ILE 117 2.086 29.737 3.157 871 HD12 ILE 117 2HD1 ILE 117 2.753 28.087 3.104 872 HD13 ILE 117 3HD1 ILE 117 3.651 29.431 2.369 873 H VAL 118 H VAL 118 3.128 29.577 9.146 874 HA VAL 118 HA VAL 118 2.275 27.205 10.536 875 HB VAL 118 HB VAL 118 1.433 30.133 10.893 876 HG11 VAL 118 1HG1 VAL 118 0.717 29.422 13.179 877 HG12 VAL 118 2HG1 VAL 118 0.996 27.729 12.717 878 HG13 VAL 118 3HG1 VAL 118 -0.259 28.684 11.895 879 HG21 VAL 118 1HG2 VAL 118 3.026 30.077 12.814 880 HG22 VAL 118 2HG2 VAL 118 3.841 29.788 11.265 881 HG23 VAL 118 3HG2 VAL 118 3.500 28.424 12.356 882 H LEU 119 H LEU 119 0.526 25.974 10.150 883 HA LEU 119 HA LEU 119 -1.219 26.591 7.962 884 HB2 LEU 119 1HB LEU 119 -0.503 24.326 8.863 885 HB3 LEU 119 2HB LEU 119 -1.685 24.531 10.143 886 HG LEU 119 HG LEU 119 -2.534 24.717 7.242 887 HD11 LEU 119 1HD1 LEU 119 -2.893 22.298 7.205 888 HD12 LEU 119 2HD1 LEU 119 -2.164 22.145 8.823 889 HD13 LEU 119 3HD1 LEU 119 -1.177 22.670 7.448 890 HD21 LEU 119 1HD2 LEU 119 -3.888 23.872 9.837 891 HD22 LEU 119 2HD2 LEU 119 -4.617 23.628 8.238 892 HD23 LEU 119 3HD2 LEU 119 -4.278 25.267 8.815 893 H GLN 120 H GLN 120 -3.050 27.701 7.879 894 HA GLN 120 HA GLN 120 -4.553 28.300 10.396 895 HB2 GLN 120 1HB GLN 120 -3.778 30.199 8.159 896 HB3 GLN 120 2HB GLN 120 -4.954 30.577 9.423 897 HG2 GLN 120 1HG GLN 120 -3.334 30.739 11.071 898 HG3 GLN 120 2HG GLN 120 -2.183 29.751 10.176 899 HE21 GLN 120 1HE2 GLN 120 -0.767 32.398 8.393 900 HE22 GLN 120 2HE2 GLN 120 -0.859 30.663 8.633 901 H LEU 121 H LEU 121 -6.812 28.742 9.943 902 HA LEU 121 HA LEU 121 -7.699 27.595 7.325 903 HB2 LEU 121 1HB LEU 121 -8.828 27.505 10.118 904 HB3 LEU 121 2HB LEU 121 -9.929 27.476 8.754 905 HG LEU 121 HG LEU 121 -7.773 25.414 9.286 906 HD11 LEU 121 1HD1 LEU 121 -9.777 23.984 9.788 907 HD12 LEU 121 2HD1 LEU 121 -10.796 25.432 9.649 908 HD13 LEU 121 3HD1 LEU 121 -9.568 25.333 10.925 909 HD21 LEU 121 1HD2 LEU 121 -9.009 24.098 7.532 910 HD22 LEU 121 2HD2 LEU 121 -8.224 25.545 6.881 911 HD23 LEU 121 3HD2 LEU 121 -9.976 25.548 7.169 912 HA PRO 122 HA PRO 122 -9.310 31.589 6.577 913 HB2 PRO 122 1HB PRO 122 -11.277 31.120 4.761 914 HB3 PRO 122 2HB PRO 122 -9.533 30.864 4.368 915 HG2 PRO 122 1HG PRO 122 -11.593 28.857 5.264 916 HG3 PRO 122 2HG PRO 122 -10.500 28.788 3.845 917 HD2 PRO 122 1HD PRO 122 -9.895 27.549 6.151 918 HD3 PRO 122 2HD PRO 122 -8.625 28.347 5.161 919 H GLN 123 H GLN 123 -11.250 32.938 6.761 920 HA GLN 123 HA GLN 123 -12.665 32.487 9.148 921 HB2 GLN 123 1HB GLN 123 -12.315 34.679 7.950 922 HB3 GLN 123 2HB GLN 123 -13.541 34.185 6.778 923 HG2 GLN 123 1HG GLN 123 -15.241 34.132 8.540 924 HG3 GLN 123 2HG GLN 123 -14.014 34.514 9.760 925 HE21 GLN 123 1HE2 GLN 123 -14.644 37.906 9.409 926 HE22 GLN 123 2HE2 GLN 123 -14.350 36.531 10.444 927 H GLY 124 H GLY 124 -14.513 31.438 9.655 928 HA2 GLY 124 1HA GLY 124 -16.677 30.560 9.156 929 HA3 GLY 124 2HA GLY 124 -16.227 30.425 7.451 930 H THR 125 H THR 125 -13.507 29.210 8.366 931 HA THR 125 HA THR 125 -14.661 26.494 8.863 932 HB THR 125 HB THR 125 -11.874 27.049 7.809 933 HG1 THR 125 HG1 THR 125 -13.419 28.003 6.407 934 HG21 THR 125 1HG2 THR 125 -12.531 24.736 8.665 935 HG22 THR 125 2HG2 THR 125 -12.062 24.791 6.959 936 HG23 THR 125 3HG2 THR 125 -13.774 24.698 7.403 937 H THR 126 H THR 126 -14.249 25.476 10.699 938 HA THR 126 HA THR 126 -12.107 26.564 12.469 939 HB THR 126 HB THR 126 -13.626 25.623 14.327 940 HG1 THR 126 HG1 THR 126 -15.830 25.502 13.703 941 HG21 THR 126 1HG2 THR 126 -14.668 27.959 12.685 942 HG22 THR 126 2HG2 THR 126 -13.328 28.037 13.856 943 HG23 THR 126 3HG2 THR 126 -14.973 27.651 14.410 944 H LEU 127 H LEU 127 -10.925 25.122 13.681 945 HA LEU 127 HA LEU 127 -10.610 22.472 12.527 946 HB2 LEU 127 1HB LEU 127 -9.509 23.661 15.078 947 HB3 LEU 127 2HB LEU 127 -9.008 22.135 14.406 948 HG LEU 127 HG LEU 127 -8.582 24.796 13.019 949 HD11 LEU 127 1HD1 LEU 127 -6.646 23.106 14.646 950 HD12 LEU 127 2HD1 LEU 127 -7.331 24.670 15.142 951 HD13 LEU 127 3HD1 LEU 127 -6.243 24.585 13.739 952 HD21 LEU 127 1HD2 LEU 127 -7.000 23.508 11.634 953 HD22 LEU 127 2HD2 LEU 127 -8.636 22.842 11.507 954 HD23 LEU 127 3HD2 LEU 127 -7.425 22.021 12.515 955 HA PRO 128 HA PRO 128 -13.530 20.581 15.224 956 HB2 PRO 128 1HB PRO 128 -12.709 17.990 15.338 957 HB3 PRO 128 2HB PRO 128 -13.334 18.722 13.826 958 HG2 PRO 128 1HG PRO 128 -10.518 18.270 14.695 959 HG3 PRO 128 2HG PRO 128 -11.287 17.935 13.117 960 HD2 PRO 128 1HD PRO 128 -9.775 20.173 13.653 961 HD3 PRO 128 2HD PRO 128 -11.089 20.163 12.445 962 H LYS 129 H LYS 129 -13.687 19.280 17.327 963 HA LYS 129 HA LYS 129 -12.124 20.571 19.315 964 HB2 LYS 129 1HB LYS 129 -14.411 19.552 19.629 965 HB3 LYS 129 2HB LYS 129 -13.671 17.953 19.516 966 HG2 LYS 129 1HG LYS 129 -14.035 18.404 21.825 967 HG3 LYS 129 2HG LYS 129 -12.290 18.521 21.552 968 HD2 LYS 129 1HD LYS 129 -12.488 21.004 21.445 969 HD3 LYS 129 2HD LYS 129 -14.231 20.871 21.744 970 HE2 LYS 129 1HE LYS 129 -12.038 19.902 23.631 971 HE3 LYS 129 2HE LYS 129 -12.921 21.433 23.794 972 HZ1 LYS 129 1HZ LYS 129 -13.866 19.717 25.203 973 HZ2 LYS 129 2HZ LYS 129 -14.152 18.737 23.907 974 HZ3 LYS 129 3HZ LYS 129 -14.966 20.165 24.056 975 H GLY 130 H GLY 130 -10.153 20.137 20.130 976 HA2 GLY 130 1HA GLY 130 -8.426 18.741 20.903 977 HA3 GLY 130 2HA GLY 130 -9.114 17.392 20.002 978 H PHE 131 H PHE 131 -8.695 20.354 18.204 979 HA PHE 131 HA PHE 131 -6.113 19.314 17.138 980 HB2 PHE 131 1HB PHE 131 -8.657 19.937 15.775 981 HB3 PHE 131 2HB PHE 131 -7.219 20.642 15.037 982 HD1 PHE 131 HD1 PHE 131 -8.868 17.453 15.974 983 HD2 PHE 131 HD2 PHE 131 -5.565 19.322 13.974 984 HE1 PHE 131 HE1 PHE 131 -8.319 15.290 14.873 985 HE2 PHE 131 HE2 PHE 131 -4.986 17.165 12.883 986 HZ PHE 131 HZ PHE 131 -6.374 15.150 13.333 987 H TYR 132 H TYR 132 -4.565 20.745 16.710 988 HA TYR 132 HA TYR 132 -5.164 23.623 16.587 989 HB2 TYR 132 1HB TYR 132 -3.485 24.225 18.268 990 HB3 TYR 132 2HB TYR 132 -4.817 23.320 18.985 991 HD1 TYR 132 HD1 TYR 132 -1.205 23.350 18.286 992 HD2 TYR 132 HD2 TYR 132 -4.464 20.937 19.742 993 HE1 TYR 132 HE1 TYR 132 0.417 21.794 19.369 994 HE2 TYR 132 HE2 TYR 132 -2.837 19.395 20.818 995 HH TYR 132 HH TYR 132 -0.652 18.981 21.295 996 H ALA 133 H ALA 133 -3.135 24.816 15.871 997 HA ALA 133 HA ALA 133 -1.690 23.027 13.992 998 HB1 ALA 133 1HB ALA 133 -1.228 25.088 12.721 999 HB2 ALA 133 2HB ALA 133 -2.035 26.051 13.975 1000 HB3 ALA 133 3HB ALA 133 -2.972 24.898 13.006 1001 H GLU 134 H GLU 134 0.511 23.067 13.718 1002 HA GLU 134 HA GLU 134 2.087 23.636 16.090 1003 HB2 GLU 134 1HB GLU 134 2.717 21.839 14.578 1004 HB3 GLU 134 2HB GLU 134 2.771 22.945 13.227 1005 HG2 GLU 134 1HG GLU 134 4.982 22.981 13.549 1006 HG3 GLU 134 2HG GLU 134 4.645 24.070 14.899 1007 H GLY 135 H GLY 135 3.045 25.508 16.654 1008 HA2 GLY 135 1HA GLY 135 4.191 27.522 16.300 1009 HA3 GLY 135 2HA GLY 135 3.733 27.493 14.594 1010 H SER 136 H SER 136 0.872 26.878 16.034 1011 HA SER 136 HA SER 136 0.025 29.648 15.749 1012 HB2 SER 136 1HB SER 136 -1.379 27.755 14.998 1013 HB3 SER 136 2HB SER 136 -1.508 27.192 16.677 1014 HG SER 136 HG SER 136 -2.531 29.567 15.516 1015 H ARG 137 H ARG 137 -0.110 31.109 17.257 1016 HA ARG 137 HA ARG 137 -0.679 30.376 20.069 1017 HB2 ARG 137 1HB ARG 137 1.738 31.942 19.089 1018 HB3 ARG 137 2HB ARG 137 1.036 32.255 20.679 1019 HG2 ARG 137 1HG ARG 137 2.088 29.542 19.793 1020 HG3 ARG 137 2HG ARG 137 3.003 30.727 20.743 1021 HD2 ARG 137 1HD ARG 137 1.200 30.671 22.481 1022 HD3 ARG 137 2HD ARG 137 0.399 29.378 21.565 1023 HE ARG 137 HE ARG 137 3.076 28.595 22.032 1024 HH11 ARG 137 1HH1 ARG 137 0.141 29.152 23.915 1025 HH12 ARG 137 2HH1 ARG 137 0.599 28.006 25.145 1026 HH21 ARG 137 1HH2 ARG 137 3.594 27.144 23.644 1027 HH22 ARG 137 2HH2 ARG 137 2.519 26.892 24.992 1028 H GLY 138 H GLY 138 -1.782 32.067 21.136 1029 HA2 GLY 138 1HA GLY 138 -2.286 34.622 20.724 1030 HA3 GLY 138 2HA GLY 138 -3.086 33.952 19.268 1031 H GLY 139 H GLY 139 -5.031 34.939 20.680 1032 HA2 GLY 139 1HA GLY 139 -7.018 34.261 21.678 1033 HA3 GLY 139 2HA GLY 139 -6.374 32.612 21.760 1034 H SER 140 H SER 140 -5.282 35.730 23.170 1035 HA SER 140 HA SER 140 -5.825 34.764 25.902 1036 HB2 SER 140 1HB SER 140 -3.068 35.678 24.966 1037 HB3 SER 140 2HB SER 140 -3.532 35.234 26.625 1038 HG SER 140 HG SER 140 -4.253 33.233 25.072 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 4.415 -2.981 9.130 2 H2 GLY 1 2H GLY 1 5.253 -2.138 7.984 3 H3 GLY 1 3H GLY 1 3.631 -1.899 8.161 4 HA2 GLY 1 1HA GLY 1 3.937 -0.967 10.347 5 HA3 GLY 1 2HA GLY 1 5.682 -1.241 10.172 6 H ALA 2 H ALA 2 4.887 1.352 10.714 7 HA ALA 2 HA ALA 2 4.366 2.825 8.286 8 HB1 ALA 2 1HB ALA 2 3.768 3.692 10.539 9 HB2 ALA 2 2HB ALA 2 4.852 4.810 9.683 10 HB3 ALA 2 3HB ALA 2 5.499 3.764 10.967 11 H MET 3 H MET 3 5.744 3.360 6.721 12 HA MET 3 HA MET 3 8.677 3.494 7.311 13 HB2 MET 3 1HB MET 3 7.312 2.254 4.889 14 HB3 MET 3 2HB MET 3 9.054 2.526 5.044 15 HG2 MET 3 1HG MET 3 9.147 0.999 6.961 16 HG3 MET 3 2HG MET 3 7.398 0.733 6.851 17 HE1 MET 3 1HE MET 3 8.936 -2.682 5.542 18 HE2 MET 3 2HE MET 3 7.860 -1.935 6.745 19 HE3 MET 3 3HE MET 3 9.615 -1.643 6.816 20 H GLY 4 H GLY 4 6.938 5.649 7.447 21 HA2 GLY 4 1HA GLY 4 6.767 7.018 4.892 22 HA3 GLY 4 2HA GLY 4 6.305 7.653 6.475 23 H LEU 5 H LEU 5 9.238 6.679 4.689 24 HA LEU 5 HA LEU 5 10.964 8.523 6.110 25 HB2 LEU 5 1HB LEU 5 11.191 6.826 3.623 26 HB3 LEU 5 2HB LEU 5 12.398 8.060 3.950 27 HG LEU 5 HG LEU 5 12.910 6.966 6.129 28 HD11 LEU 5 1HD1 LEU 5 12.241 4.578 6.430 29 HD12 LEU 5 2HD1 LEU 5 11.101 4.748 5.073 30 HD13 LEU 5 3HD1 LEU 5 10.870 5.694 6.565 31 HD21 LEU 5 1HD2 LEU 5 14.202 5.138 5.102 32 HD22 LEU 5 2HD2 LEU 5 14.246 6.599 4.093 33 HD23 LEU 5 3HD2 LEU 5 13.193 5.238 3.639 34 HA PRO 6 HA PRO 6 9.931 12.080 3.654 35 HB2 PRO 6 1HB PRO 6 12.015 13.744 4.142 36 HB3 PRO 6 2HB PRO 6 10.872 13.288 5.448 37 HG2 PRO 6 1HG PRO 6 13.564 12.103 4.786 38 HG3 PRO 6 2HG PRO 6 12.956 12.697 6.365 39 HD2 PRO 6 1HD PRO 6 12.895 10.064 5.672 40 HD3 PRO 6 2HD PRO 6 11.612 10.812 6.686 41 H ASN 7 H ASN 7 10.731 13.375 1.734 42 HA ASN 7 HA ASN 7 13.077 12.309 0.341 43 HB2 ASN 7 1HB ASN 7 10.175 12.254 -0.592 44 HB3 ASN 7 2HB ASN 7 11.492 12.408 -1.760 45 HD21 ASN 7 1HD2 ASN 7 10.615 8.814 -0.229 46 HD22 ASN 7 2HD2 ASN 7 9.696 10.242 0.175 47 H ASN 8 H ASN 8 12.127 13.990 -1.859 48 HA ASN 8 HA ASN 8 12.818 16.639 -0.700 49 HB2 ASN 8 1HB ASN 8 14.130 15.482 -2.621 50 HB3 ASN 8 2HB ASN 8 12.767 15.936 -3.653 51 HD21 ASN 8 1HD2 ASN 8 13.722 19.299 -3.901 52 HD22 ASN 8 2HD2 ASN 8 12.515 18.083 -4.242 53 H THR 9 H THR 9 10.248 15.819 -0.190 54 HA THR 9 HA THR 9 8.623 17.752 -1.723 55 HB THR 9 HB THR 9 6.706 16.074 -1.624 56 HG1 THR 9 HG1 THR 9 7.893 14.739 -0.051 57 HG21 THR 9 1HG2 THR 9 7.327 14.777 -3.580 58 HG22 THR 9 2HG2 THR 9 9.053 15.072 -3.279 59 HG23 THR 9 3HG2 THR 9 7.987 16.418 -3.745 60 H ALA 10 H ALA 10 7.571 18.949 -0.223 61 HA ALA 10 HA ALA 10 7.026 17.770 2.436 62 HB1 ALA 10 1HB ALA 10 9.318 18.830 2.549 63 HB2 ALA 10 2HB ALA 10 8.133 19.576 3.646 64 HB3 ALA 10 3HB ALA 10 8.568 20.385 2.123 65 H SER 11 H SER 11 5.425 18.792 3.608 66 HA SER 11 HA SER 11 3.365 20.104 2.113 67 HB2 SER 11 1HB SER 11 2.903 18.798 4.163 68 HB3 SER 11 2HB SER 11 3.861 19.948 5.120 69 HG SER 11 HG SER 11 1.359 20.308 3.845 70 H TRP 12 H TRP 12 2.771 22.266 2.056 71 HA TRP 12 HA TRP 12 4.829 24.234 2.327 72 HB2 TRP 12 1HB TRP 12 2.005 24.141 1.485 73 HB3 TRP 12 2HB TRP 12 2.546 25.682 2.177 74 HD1 TRP 12 HD1 TRP 12 2.948 23.527 -0.897 75 HE1 TRP 12 HE1 TRP 12 4.389 24.665 -2.632 76 HE3 TRP 12 HE3 TRP 12 4.619 27.351 2.030 77 HZ2 TRP 12 HZ2 TRP 12 6.096 26.962 -2.747 78 HZ3 TRP 12 HZ3 TRP 12 6.181 29.019 1.044 79 HH2 TRP 12 HH2 TRP 12 6.926 28.812 -1.331 80 H PHE 13 H PHE 13 2.600 22.884 4.579 81 HA PHE 13 HA PHE 13 2.890 25.279 6.318 82 HB2 PHE 13 1HB PHE 13 0.602 23.304 6.226 83 HB3 PHE 13 2HB PHE 13 0.666 24.825 7.126 84 HD1 PHE 13 HD1 PHE 13 0.549 26.988 5.933 85 HD2 PHE 13 HD2 PHE 13 0.068 23.236 3.894 86 HE1 PHE 13 HE1 PHE 13 -0.354 28.182 3.951 87 HE2 PHE 13 HE2 PHE 13 -0.855 24.419 1.924 88 HZ PHE 13 HZ PHE 13 -1.043 26.884 1.931 89 H THR 14 H THR 14 2.523 24.923 8.593 90 HA THR 14 HA THR 14 4.200 22.791 9.601 91 HB THR 14 HB THR 14 3.547 23.680 11.821 92 HG1 THR 14 HG1 THR 14 2.031 25.253 12.004 93 HG21 THR 14 1HG2 THR 14 4.444 25.942 11.593 94 HG22 THR 14 2HG2 THR 14 4.183 25.891 9.839 95 HG23 THR 14 3HG2 THR 14 5.368 24.802 10.592 96 H ALA 15 H ALA 15 3.413 21.310 11.337 97 HA ALA 15 HA ALA 15 1.251 19.768 10.238 98 HB1 ALA 15 1HB ALA 15 2.631 19.345 12.907 99 HB2 ALA 15 2HB ALA 15 3.382 18.915 11.356 100 HB3 ALA 15 3HB ALA 15 1.865 18.133 11.849 101 H LEU 16 H LEU 16 -0.772 19.408 10.947 102 HA LEU 16 HA LEU 16 -1.818 21.062 13.191 103 HB2 LEU 16 1HB LEU 16 -3.003 19.128 11.177 104 HB3 LEU 16 2HB LEU 16 -3.851 19.499 12.662 105 HG LEU 16 HG LEU 16 -3.190 21.449 10.468 106 HD11 LEU 16 1HD1 LEU 16 -5.619 21.516 10.176 107 HD12 LEU 16 2HD1 LEU 16 -5.839 20.386 11.533 108 HD13 LEU 16 3HD1 LEU 16 -5.045 19.842 10.039 109 HD21 LEU 16 1HD2 LEU 16 -4.470 21.875 13.194 110 HD22 LEU 16 2HD2 LEU 16 -4.612 23.027 11.848 111 HD23 LEU 16 3HD2 LEU 16 -3.017 22.666 12.529 112 H THR 17 H THR 17 -2.377 20.081 15.181 113 HA THR 17 HA THR 17 -1.382 17.271 15.494 114 HB THR 17 HB THR 17 -1.156 19.531 17.518 115 HG1 THR 17 HG1 THR 17 0.157 19.922 15.700 116 HG21 THR 17 1HG2 THR 17 -1.122 17.363 18.557 117 HG22 THR 17 2HG2 THR 17 0.543 17.979 18.501 118 HG23 THR 17 3HG2 THR 17 0.019 16.739 17.337 119 H GLN 18 H GLN 18 -2.694 15.923 16.656 120 HA GLN 18 HA GLN 18 -5.314 17.101 17.504 121 HB2 GLN 18 1HB GLN 18 -5.538 15.670 15.593 122 HB3 GLN 18 2HB GLN 18 -4.529 14.438 16.299 123 HG2 GLN 18 1HG GLN 18 -6.825 13.669 16.308 124 HG3 GLN 18 2HG GLN 18 -6.305 13.915 17.972 125 HE21 GLN 18 1HE2 GLN 18 -9.752 15.394 17.043 126 HE22 GLN 18 2HE2 GLN 18 -8.976 13.925 16.463 127 H HIS 19 H HIS 19 -6.154 16.711 19.420 128 HA HIS 19 HA HIS 19 -5.105 14.420 21.029 129 HB2 HIS 19 1HB HIS 19 -4.098 16.473 21.979 130 HB3 HIS 19 2HB HIS 19 -5.693 17.231 22.049 131 HD1 HIS 19 HD1 HIS 19 -3.612 14.555 23.761 132 HD2 HIS 19 HD2 HIS 19 -7.299 16.452 24.164 133 HE1 HIS 19 HE1 HIS 19 -4.523 13.915 26.032 134 H GLY 20 H GLY 20 -6.892 13.141 20.612 135 HA2 GLY 20 1HA GLY 20 -9.369 13.679 21.867 136 HA3 GLY 20 2HA GLY 20 -9.499 14.160 20.159 137 H LYS 21 H LYS 21 -11.144 12.303 20.291 138 HA LYS 21 HA LYS 21 -9.814 9.637 20.120 139 HB2 LYS 21 1HB LYS 21 -12.736 10.443 20.341 140 HB3 LYS 21 2HB LYS 21 -12.170 8.784 20.121 141 HG2 LYS 21 1HG LYS 21 -10.875 8.966 22.240 142 HG3 LYS 21 2HG LYS 21 -11.562 10.584 22.490 143 HD2 LYS 21 1HD LYS 21 -13.835 9.624 22.515 144 HD3 LYS 21 2HD LYS 21 -13.165 8.012 22.200 145 HE2 LYS 21 1HE LYS 21 -13.648 8.187 24.563 146 HE3 LYS 21 2HE LYS 21 -11.888 8.148 24.340 147 HZ1 LYS 21 1HZ LYS 21 -12.551 9.840 25.933 148 HZ2 LYS 21 2HZ LYS 21 -13.500 10.593 24.815 149 HZ3 LYS 21 3HZ LYS 21 -11.862 10.554 24.616 150 H GLU 22 H GLU 22 -11.474 12.016 18.145 151 HA GLU 22 HA GLU 22 -11.782 10.143 15.900 152 HB2 GLU 22 1HB GLU 22 -12.196 13.146 16.126 153 HB3 GLU 22 2HB GLU 22 -12.559 12.178 14.693 154 HG2 GLU 22 1HG GLU 22 -14.216 10.886 15.975 155 HG3 GLU 22 2HG GLU 22 -13.855 11.850 17.418 156 H ASP 23 H ASP 23 -10.681 10.598 13.824 157 HA ASP 23 HA ASP 23 -7.879 11.186 14.379 158 HB2 ASP 23 1HB ASP 23 -9.204 9.448 12.683 159 HB3 ASP 23 2HB ASP 23 -8.669 10.698 11.565 160 H LEU 24 H LEU 24 -10.097 12.335 11.789 161 HA LEU 24 HA LEU 24 -9.870 15.110 12.295 162 HB2 LEU 24 1HB LEU 24 -7.528 14.914 11.489 163 HB3 LEU 24 2HB LEU 24 -8.078 14.095 10.048 164 HG LEU 24 HG LEU 24 -9.119 16.117 9.217 165 HD11 LEU 24 1HD1 LEU 24 -8.079 17.623 11.644 166 HD12 LEU 24 2HD1 LEU 24 -9.775 17.177 11.409 167 HD13 LEU 24 3HD1 LEU 24 -8.991 18.278 10.274 168 HD21 LEU 24 1HD2 LEU 24 -7.101 17.471 8.872 169 HD22 LEU 24 2HD2 LEU 24 -6.747 15.735 8.758 170 HD23 LEU 24 3HD2 LEU 24 -6.305 16.635 10.227 171 H LYS 25 H LYS 25 -11.452 16.124 11.003 172 HA LYS 25 HA LYS 25 -12.164 14.975 8.421 173 HB2 LYS 25 1HB LYS 25 -13.471 13.707 10.298 174 HB3 LYS 25 2HB LYS 25 -14.396 15.200 10.470 175 HG2 LYS 25 1HG LYS 25 -14.089 14.141 7.702 176 HG3 LYS 25 2HG LYS 25 -15.049 13.152 8.813 177 HD2 LYS 25 1HD LYS 25 -16.551 15.007 9.268 178 HD3 LYS 25 2HD LYS 25 -15.536 16.111 8.323 179 HE2 LYS 25 1HE LYS 25 -17.429 15.444 6.967 180 HE3 LYS 25 2HE LYS 25 -15.944 14.738 6.294 181 HZ1 LYS 25 1HZ LYS 25 -16.518 12.651 7.389 182 HZ2 LYS 25 2HZ LYS 25 -17.740 13.117 6.383 183 HZ3 LYS 25 3HZ LYS 25 -17.896 13.307 8.016 184 H PHE 26 H PHE 26 -12.973 16.620 7.113 185 HA PHE 26 HA PHE 26 -13.696 19.178 8.485 186 HB2 PHE 26 1HB PHE 26 -12.006 18.688 6.020 187 HB3 PHE 26 2HB PHE 26 -12.856 20.215 6.261 188 HD1 PHE 26 HD1 PHE 26 -12.571 20.863 9.065 189 HD2 PHE 26 HD2 PHE 26 -9.679 19.072 6.404 190 HE1 PHE 26 HE1 PHE 26 -10.731 21.736 10.474 191 HE2 PHE 26 HE2 PHE 26 -7.849 19.915 7.850 192 HZ PHE 26 HZ PHE 26 -8.360 21.255 9.875 193 HA PRO 27 HA PRO 27 -17.417 18.749 6.151 194 HB2 PRO 27 1HB PRO 27 -18.319 21.337 6.009 195 HB3 PRO 27 2HB PRO 27 -18.311 20.390 7.527 196 HG2 PRO 27 1HG PRO 27 -16.433 22.455 6.599 197 HG3 PRO 27 2HG PRO 27 -17.114 22.181 8.209 198 HD2 PRO 27 1HD PRO 27 -14.587 21.410 7.429 199 HD3 PRO 27 2HD PRO 27 -15.529 20.608 8.733 200 H ARG 28 H ARG 28 -18.538 19.424 4.112 201 HA ARG 28 HA ARG 28 -16.682 19.377 1.920 202 HB2 ARG 28 1HB ARG 28 -18.953 18.341 1.905 203 HB3 ARG 28 2HB ARG 28 -19.674 19.948 1.989 204 HG2 ARG 28 1HG ARG 28 -19.881 19.306 -0.264 205 HG3 ARG 28 2HG ARG 28 -18.531 20.445 -0.250 206 HD2 ARG 28 1HD ARG 28 -16.939 18.536 -0.250 207 HD3 ARG 28 2HD ARG 28 -18.314 17.411 -0.279 208 HE ARG 28 HE ARG 28 -18.479 19.324 -2.431 209 HH11 ARG 28 1HH1 ARG 28 -16.828 16.331 -1.531 210 HH12 ARG 28 2HH1 ARG 28 -16.566 15.871 -3.192 211 HH21 ARG 28 1HH2 ARG 28 -18.082 18.683 -4.520 212 HH22 ARG 28 2HH2 ARG 28 -17.268 17.179 -4.852 213 H GLY 29 H GLY 29 -15.887 20.970 0.628 214 HA2 GLY 29 1HA GLY 29 -15.773 23.054 -0.415 215 HA3 GLY 29 2HA GLY 29 -17.189 23.585 0.507 216 H GLN 30 H GLN 30 -15.018 22.140 2.582 217 HA GLN 30 HA GLN 30 -13.639 24.676 3.290 218 HB2 GLN 30 1HB GLN 30 -15.570 23.019 4.890 219 HB3 GLN 30 2HB GLN 30 -14.336 23.975 5.695 220 HG2 GLN 30 1HG GLN 30 -15.236 26.011 4.728 221 HG3 GLN 30 2HG GLN 30 -16.474 25.068 3.870 222 HE21 GLN 30 1HE2 GLN 30 -16.763 25.662 7.910 223 HE22 GLN 30 2HE2 GLN 30 -15.226 25.921 7.083 224 H GLY 31 H GLY 31 -12.095 24.240 5.110 225 HA2 GLY 31 1HA GLY 31 -10.876 22.643 6.429 226 HA3 GLY 31 2HA GLY 31 -11.184 21.408 5.200 227 H VAL 32 H VAL 32 -10.591 23.484 3.073 228 HA VAL 32 HA VAL 32 -7.794 22.905 2.782 229 HB VAL 32 HB VAL 32 -9.510 25.083 1.445 230 HG11 VAL 32 1HG1 VAL 32 -7.769 25.029 -0.287 231 HG12 VAL 32 2HG1 VAL 32 -6.786 24.002 0.765 232 HG13 VAL 32 3HG1 VAL 32 -7.216 25.660 1.258 233 HG21 VAL 32 1HG2 VAL 32 -9.603 23.544 -0.473 234 HG22 VAL 32 2HG2 VAL 32 -10.357 22.826 0.965 235 HG23 VAL 32 3HG2 VAL 32 -8.724 22.318 0.460 236 HA PRO 33 HA PRO 33 -6.640 26.098 5.649 237 HB2 PRO 33 1HB PRO 33 -3.933 25.870 5.461 238 HB3 PRO 33 2HB PRO 33 -4.948 24.636 6.268 239 HG2 PRO 33 1HG PRO 33 -3.817 24.645 3.523 240 HG3 PRO 33 2HG PRO 33 -3.841 23.342 4.736 241 HD2 PRO 33 1HD PRO 33 -5.597 23.424 2.716 242 HD3 PRO 33 2HD PRO 33 -5.993 22.749 4.326 243 H ILE 34 H ILE 34 -5.272 28.130 5.584 244 HA ILE 34 HA ILE 34 -5.861 29.530 3.129 245 HB ILE 34 HB ILE 34 -4.162 30.338 5.515 246 HG12 ILE 34 1HG1 ILE 34 -6.985 31.098 4.712 247 HG13 ILE 34 2HG1 ILE 34 -6.572 29.900 5.940 248 HG21 ILE 34 1HG2 ILE 34 -3.558 31.603 3.420 249 HG22 ILE 34 2HG2 ILE 34 -4.281 32.629 4.659 250 HG23 ILE 34 3HG2 ILE 34 -5.261 32.095 3.270 251 HD11 ILE 34 1HD1 ILE 34 -7.107 31.925 7.040 252 HD12 ILE 34 2HD1 ILE 34 -5.996 32.844 6.012 253 HD13 ILE 34 3HD1 ILE 34 -5.361 31.665 7.185 254 H ASN 35 H ASN 35 -4.865 29.134 1.366 255 HA ASN 35 HA ASN 35 -2.002 28.358 1.428 256 HB2 ASN 35 1HB ASN 35 -3.991 28.192 -0.819 257 HB3 ASN 35 2HB ASN 35 -2.327 27.662 -0.914 258 HD21 ASN 35 1HD2 ASN 35 -5.088 25.132 0.238 259 HD22 ASN 35 2HD2 ASN 35 -5.388 26.647 -0.586 260 H THR 36 H THR 36 -1.123 30.390 1.801 261 HA THR 36 HA THR 36 -1.680 32.696 0.176 262 HB THR 36 HB THR 36 0.426 33.556 1.183 263 HG1 THR 36 HG1 THR 36 1.716 32.183 2.354 264 HG21 THR 36 1HG2 THR 36 -0.219 33.422 3.501 265 HG22 THR 36 2HG2 THR 36 -1.098 31.901 3.226 266 HG23 THR 36 3HG2 THR 36 -1.714 33.428 2.540 267 H ASN 37 H ASN 37 0.037 29.858 -0.410 268 HA ASN 37 HA ASN 37 1.801 31.086 -2.474 269 HB2 ASN 37 1HB ASN 37 3.114 29.023 -2.267 270 HB3 ASN 37 2HB ASN 37 2.878 29.760 -0.677 271 HD21 ASN 37 1HD2 ASN 37 1.077 27.080 0.667 272 HD22 ASN 37 2HD2 ASN 37 1.662 28.717 0.873 273 H SER 38 H SER 38 -1.224 30.218 -2.758 274 HA SER 38 HA SER 38 -0.710 28.511 -5.150 275 HB2 SER 38 1HB SER 38 -2.905 27.995 -3.132 276 HB3 SER 38 2HB SER 38 -2.487 27.007 -4.534 277 HG SER 38 HG SER 38 -0.272 27.200 -3.223 278 H SER 39 H SER 39 -2.218 28.487 -6.776 279 HA SER 39 HA SER 39 -3.688 30.938 -7.229 280 HB2 SER 39 1HB SER 39 -4.015 28.331 -8.721 281 HB3 SER 39 2HB SER 39 -4.088 29.984 -9.366 282 HG SER 39 HG SER 39 -1.959 28.306 -8.982 283 HA PRO 40 HA PRO 40 -7.497 29.701 -5.517 284 HB2 PRO 40 1HB PRO 40 -9.498 30.266 -7.302 285 HB3 PRO 40 2HB PRO 40 -8.596 31.533 -6.408 286 HG2 PRO 40 1HG PRO 40 -8.105 30.494 -9.193 287 HG3 PRO 40 2HG PRO 40 -8.295 32.191 -8.638 288 HD2 PRO 40 1HD PRO 40 -5.853 31.129 -8.992 289 HD3 PRO 40 2HD PRO 40 -6.183 32.200 -7.587 290 H ASP 41 H ASP 41 -6.895 28.413 -8.801 291 HA ASP 41 HA ASP 41 -8.791 26.248 -8.459 292 HB2 ASP 41 1HB ASP 41 -8.054 25.426 -10.490 293 HB3 ASP 41 2HB ASP 41 -7.897 27.176 -10.675 294 H ASP 42 H ASP 42 -5.572 26.903 -7.433 295 HA ASP 42 HA ASP 42 -4.686 24.142 -7.201 296 HB2 ASP 42 1HB ASP 42 -3.555 26.818 -6.455 297 HB3 ASP 42 2HB ASP 42 -2.804 25.339 -5.886 298 H GLN 43 H GLN 43 -6.720 26.019 -5.291 299 HA GLN 43 HA GLN 43 -5.840 25.486 -2.646 300 HB2 GLN 43 1HB GLN 43 -8.654 25.754 -3.743 301 HB3 GLN 43 2HB GLN 43 -8.198 25.904 -2.049 302 HG2 GLN 43 1HG GLN 43 -7.334 27.726 -4.304 303 HG3 GLN 43 2HG GLN 43 -8.499 28.113 -3.041 304 HE21 GLN 43 1HE2 GLN 43 -4.653 28.931 -2.544 305 HE22 GLN 43 2HE2 GLN 43 -5.442 28.609 -4.070 306 H ILE 44 H ILE 44 -7.457 23.320 -4.894 307 HA ILE 44 HA ILE 44 -8.573 21.500 -3.050 308 HB ILE 44 HB ILE 44 -9.049 21.606 -5.474 309 HG12 ILE 44 1HG1 ILE 44 -8.138 18.812 -4.914 310 HG13 ILE 44 2HG1 ILE 44 -9.403 19.562 -3.937 311 HG21 ILE 44 1HG2 ILE 44 -6.896 21.961 -6.445 312 HG22 ILE 44 2HG2 ILE 44 -7.498 20.419 -7.056 313 HG23 ILE 44 3HG2 ILE 44 -6.275 20.433 -5.796 314 HD11 ILE 44 1HD1 ILE 44 -10.772 19.977 -5.944 315 HD12 ILE 44 2HD1 ILE 44 -10.371 18.254 -5.806 316 HD13 ILE 44 3HD1 ILE 44 -9.504 19.271 -6.970 317 H GLY 45 H GLY 45 -7.907 19.689 -1.974 318 HA2 GLY 45 1HA GLY 45 -5.441 18.359 -2.443 319 HA3 GLY 45 2HA GLY 45 -5.180 19.576 -1.189 320 H TYR 46 H TYR 46 -4.673 17.822 0.232 321 HA TYR 46 HA TYR 46 -7.077 16.882 1.625 322 HB2 TYR 46 1HB TYR 46 -6.537 14.541 1.494 323 HB3 TYR 46 2HB TYR 46 -6.615 15.156 -0.148 324 HD1 TYR 46 HD1 TYR 46 -4.496 15.456 -1.470 325 HD2 TYR 46 HD2 TYR 46 -4.544 13.728 2.469 326 HE1 TYR 46 HE1 TYR 46 -2.212 14.524 -1.866 327 HE2 TYR 46 HE2 TYR 46 -2.269 12.771 2.044 328 HH TYR 46 HH TYR 46 -0.559 12.518 0.585 329 H TYR 47 H TYR 47 -6.306 15.638 3.678 330 HA TYR 47 HA TYR 47 -3.621 16.726 4.496 331 HB2 TYR 47 1HB TYR 47 -6.039 16.074 6.172 332 HB3 TYR 47 2HB TYR 47 -4.442 16.309 6.836 333 HD1 TYR 47 HD1 TYR 47 -3.855 18.382 7.669 334 HD2 TYR 47 HD2 TYR 47 -6.889 18.184 4.615 335 HE1 TYR 47 HE1 TYR 47 -4.301 20.813 7.930 336 HE2 TYR 47 HE2 TYR 47 -7.309 20.601 4.894 337 HH TYR 47 HH TYR 47 -6.880 22.477 6.131 338 H ARG 48 H ARG 48 -2.158 15.340 5.238 339 HA ARG 48 HA ARG 48 -2.823 12.432 4.998 340 HB2 ARG 48 1HB ARG 48 -1.093 13.621 3.491 341 HB3 ARG 48 2HB ARG 48 -0.077 13.750 4.920 342 HG2 ARG 48 1HG ARG 48 0.120 11.361 5.093 343 HG3 ARG 48 2HG ARG 48 -1.167 11.121 3.896 344 HD2 ARG 48 1HD ARG 48 0.276 12.371 2.234 345 HD3 ARG 48 2HD ARG 48 1.596 12.266 3.413 346 HE ARG 48 HE ARG 48 0.594 9.659 3.076 347 HH11 ARG 48 1HH1 ARG 48 2.160 12.068 1.007 348 HH12 ARG 48 2HH1 ARG 48 2.867 10.854 -0.023 349 HH21 ARG 48 1HH2 ARG 48 1.548 8.172 1.718 350 HH22 ARG 48 2HH2 ARG 48 2.526 8.694 0.373 351 H ARG 49 H ARG 49 -2.769 11.242 6.800 352 HA ARG 49 HA ARG 49 -2.104 12.356 9.371 353 HB2 ARG 49 1HB ARG 49 -3.654 10.399 8.752 354 HB3 ARG 49 2HB ARG 49 -2.194 9.415 8.623 355 HG2 ARG 49 1HG ARG 49 -1.693 9.989 11.024 356 HG3 ARG 49 2HG ARG 49 -3.261 10.825 11.081 357 HD2 ARG 49 1HD ARG 49 -4.200 8.580 10.131 358 HD3 ARG 49 2HD ARG 49 -2.691 7.876 10.737 359 HE ARG 49 HE ARG 49 -4.962 8.986 12.275 360 HH11 ARG 49 1HH1 ARG 49 -1.667 7.696 12.480 361 HH12 ARG 49 2HH1 ARG 49 -1.793 7.432 14.198 362 HH21 ARG 49 1HH2 ARG 49 -5.036 8.664 14.399 363 HH22 ARG 49 2HH2 ARG 49 -3.694 7.951 15.280 364 H ALA 50 H ALA 50 -0.255 12.189 10.611 365 HA ALA 50 HA ALA 50 2.002 10.567 9.596 366 HB1 ALA 50 1HB ALA 50 2.252 12.783 8.503 367 HB2 ALA 50 2HB ALA 50 3.544 12.497 9.693 368 HB3 ALA 50 3HB ALA 50 2.183 13.569 10.100 369 H THR 51 H THR 51 3.460 9.974 11.143 370 HA THR 51 HA THR 51 3.303 11.113 13.883 371 HB THR 51 HB THR 51 3.486 8.736 14.798 372 HG1 THR 51 HG1 THR 51 3.947 7.898 12.590 373 HG21 THR 51 1HG2 THR 51 1.111 8.204 14.724 374 HG22 THR 51 2HG2 THR 51 0.882 9.280 13.327 375 HG23 THR 51 3HG2 THR 51 1.332 9.957 14.911 376 H ARG 52 H ARG 52 5.404 10.595 14.989 377 HA ARG 52 HA ARG 52 7.417 9.319 13.242 378 HB2 ARG 52 1HB ARG 52 7.317 11.832 12.749 379 HB3 ARG 52 2HB ARG 52 7.893 12.087 14.391 380 HG2 ARG 52 1HG ARG 52 9.785 12.240 12.940 381 HG3 ARG 52 2HG ARG 52 9.932 10.713 13.822 382 HD2 ARG 52 1HD ARG 52 10.509 10.371 11.466 383 HD3 ARG 52 2HD ARG 52 9.031 9.489 11.858 384 HE ARG 52 HE ARG 52 7.781 10.904 10.488 385 HH11 ARG 52 1HH1 ARG 52 11.111 12.096 10.620 386 HH12 ARG 52 2HH1 ARG 52 10.872 13.168 9.269 387 HH21 ARG 52 1HH2 ARG 52 7.574 12.280 8.761 388 HH22 ARG 52 2HH2 ARG 52 8.909 13.268 8.240 389 H ARG 53 H ARG 53 8.646 7.995 14.433 390 HA ARG 53 HA ARG 53 9.362 8.767 17.187 391 HB2 ARG 53 1HB ARG 53 7.180 7.451 17.287 392 HB3 ARG 53 2HB ARG 53 8.043 6.084 16.579 393 HG2 ARG 53 1HG ARG 53 9.460 7.149 18.893 394 HG3 ARG 53 2HG ARG 53 7.787 6.753 19.302 395 HD2 ARG 53 1HD ARG 53 9.576 4.801 17.829 396 HD3 ARG 53 2HD ARG 53 9.552 4.916 19.600 397 HE ARG 53 HE ARG 53 6.876 4.668 18.648 398 HH11 ARG 53 1HH1 ARG 53 9.777 2.693 19.034 399 HH12 ARG 53 2HH1 ARG 53 8.864 1.217 19.197 400 HH21 ARG 53 1HH2 ARG 53 5.778 2.744 18.875 401 HH22 ARG 53 2HH2 ARG 53 6.643 1.250 19.111 402 H ILE 54 H ILE 54 11.237 8.021 17.780 403 HA ILE 54 HA ILE 54 12.648 6.147 15.957 404 HB ILE 54 HB ILE 54 14.543 7.516 15.767 405 HG12 ILE 54 1HG1 ILE 54 14.935 8.189 18.045 406 HG13 ILE 54 2HG1 ILE 54 15.047 9.575 16.983 407 HG21 ILE 54 1HG2 ILE 54 13.862 9.659 14.825 408 HG22 ILE 54 2HG2 ILE 54 12.296 9.554 15.648 409 HG23 ILE 54 3HG2 ILE 54 12.710 8.380 14.376 410 HD11 ILE 54 1HD1 ILE 54 12.738 8.923 18.832 411 HD12 ILE 54 2HD1 ILE 54 12.807 10.308 17.717 412 HD13 ILE 54 3HD1 ILE 54 13.967 10.181 19.047 413 H ARG 55 H ARG 55 14.840 5.631 17.246 414 HA ARG 55 HA ARG 55 14.194 5.474 20.164 415 HB2 ARG 55 1HB ARG 55 14.143 3.221 19.096 416 HB3 ARG 55 2HB ARG 55 15.800 3.482 18.518 417 HG2 ARG 55 1HG ARG 55 16.596 3.679 20.842 418 HG3 ARG 55 2HG ARG 55 14.934 3.490 21.431 419 HD2 ARG 55 1HD ARG 55 15.992 1.404 21.655 420 HD3 ARG 55 2HD ARG 55 14.864 1.282 20.289 421 HE ARG 55 HE ARG 55 17.406 2.006 19.271 422 HH11 ARG 55 1HH1 ARG 55 15.942 -0.805 20.836 423 HH12 ARG 55 2HH1 ARG 55 17.031 -1.919 20.055 424 HH21 ARG 55 1HH2 ARG 55 18.763 0.518 18.319 425 HH22 ARG 55 2HH2 ARG 55 18.594 -1.182 18.660 426 H GLY 56 H GLY 56 15.436 6.909 21.142 427 HA2 GLY 56 1HA GLY 56 18.100 7.553 19.964 428 HA3 GLY 56 2HA GLY 56 17.246 8.476 21.234 429 H GLY 57 H GLY 57 20.023 7.166 21.245 430 HA2 GLY 57 1HA GLY 57 19.883 4.836 22.886 431 HA3 GLY 57 2HA GLY 57 21.279 5.919 22.733 432 H ASP 58 H ASP 58 19.825 8.276 23.613 433 HA ASP 58 HA ASP 58 19.971 7.800 26.512 434 HB2 ASP 58 1HB ASP 58 21.139 9.673 25.236 435 HB3 ASP 58 2HB ASP 58 19.548 10.407 25.027 436 H GLY 59 H GLY 59 17.632 7.089 24.559 437 HA2 GLY 59 1HA GLY 59 15.461 6.519 25.144 438 HA3 GLY 59 2HA GLY 59 15.627 7.469 26.626 439 H LYS 60 H LYS 60 16.343 8.928 23.553 440 HA LYS 60 HA LYS 60 14.268 10.880 24.115 441 HB2 LYS 60 1HB LYS 60 16.313 10.831 21.880 442 HB3 LYS 60 2HB LYS 60 15.353 12.217 22.421 443 HG2 LYS 60 1HG LYS 60 17.692 10.863 23.786 444 HG3 LYS 60 2HG LYS 60 17.512 12.562 23.343 445 HD2 LYS 60 1HD LYS 60 15.702 12.740 25.144 446 HD3 LYS 60 2HD LYS 60 16.124 11.073 25.620 447 HE2 LYS 60 1HE LYS 60 18.569 12.119 25.594 448 HE3 LYS 60 2HE LYS 60 17.670 13.594 25.975 449 HZ1 LYS 60 1HZ LYS 60 18.444 12.269 27.925 450 HZ2 LYS 60 2HZ LYS 60 17.430 11.046 27.493 451 HZ3 LYS 60 3HZ LYS 60 16.804 12.515 27.934 452 H MET 61 H MET 61 12.776 11.602 22.747 453 HA MET 61 HA MET 61 11.730 9.612 20.779 454 HB2 MET 61 1HB MET 61 10.238 11.537 22.595 455 HB3 MET 61 2HB MET 61 9.499 10.454 21.413 456 HG2 MET 61 1HG MET 61 10.956 8.650 22.785 457 HG3 MET 61 2HG MET 61 10.702 9.844 24.070 458 HE1 MET 61 1HE MET 61 7.514 7.336 21.903 459 HE2 MET 61 2HE MET 61 9.275 7.331 21.611 460 HE3 MET 61 3HE MET 61 8.274 8.680 21.020 461 H LYS 62 H LYS 62 9.889 10.897 19.374 462 HA LYS 62 HA LYS 62 11.301 13.308 18.321 463 HB2 LYS 62 1HB LYS 62 10.860 10.855 17.032 464 HB3 LYS 62 2HB LYS 62 9.682 11.938 16.324 465 HG2 LYS 62 1HG LYS 62 12.643 12.513 16.490 466 HG3 LYS 62 2HG LYS 62 11.807 11.834 15.090 467 HD2 LYS 62 1HD LYS 62 11.653 13.983 14.403 468 HD3 LYS 62 2HD LYS 62 10.287 14.044 15.517 469 HE2 LYS 62 1HE LYS 62 12.479 14.534 17.158 470 HE3 LYS 62 2HE LYS 62 12.883 15.390 15.657 471 HZ1 LYS 62 1HZ LYS 62 11.584 16.814 17.135 472 HZ2 LYS 62 2HZ LYS 62 10.358 15.709 17.218 473 HZ3 LYS 62 3HZ LYS 62 10.680 16.478 15.795 474 H ASP 63 H ASP 63 8.128 11.731 17.840 475 HA ASP 63 HA ASP 63 6.782 14.333 18.477 476 HB2 ASP 63 1HB ASP 63 6.159 12.370 16.212 477 HB3 ASP 63 2HB ASP 63 5.025 13.594 16.788 478 H LEU 64 H LEU 64 4.576 13.837 19.353 479 HA LEU 64 HA LEU 64 4.458 11.084 20.527 480 HB2 LEU 64 1HB LEU 64 3.630 13.724 21.781 481 HB3 LEU 64 2HB LEU 64 3.357 12.134 22.488 482 HG LEU 64 HG LEU 64 6.095 13.335 21.929 483 HD11 LEU 64 1HD1 LEU 64 6.195 13.690 24.362 484 HD12 LEU 64 2HD1 LEU 64 4.529 13.087 24.528 485 HD13 LEU 64 3HD1 LEU 64 4.851 14.594 23.638 486 HD21 LEU 64 1HD2 LEU 64 6.892 11.525 23.445 487 HD22 LEU 64 2HD2 LEU 64 6.175 10.893 21.953 488 HD23 LEU 64 3HD2 LEU 64 5.250 10.846 23.472 489 H SER 65 H SER 65 2.238 13.899 20.359 490 HA SER 65 HA SER 65 -0.073 12.259 20.022 491 HB2 SER 65 1HB SER 65 0.305 15.194 19.321 492 HB3 SER 65 2HB SER 65 -1.228 14.374 19.677 493 HG SER 65 HG SER 65 -0.581 15.366 21.543 494 HA PRO 66 HA PRO 66 0.073 11.659 15.665 495 HB2 PRO 66 1HB PRO 66 -2.558 11.627 14.896 496 HB3 PRO 66 2HB PRO 66 -1.814 10.294 15.838 497 HG2 PRO 66 1HG PRO 66 -3.425 12.633 16.832 498 HG3 PRO 66 2HG PRO 66 -3.640 10.890 17.185 499 HD2 PRO 66 1HD PRO 66 -2.329 12.514 18.885 500 HD3 PRO 66 2HD PRO 66 -1.763 10.833 18.595 501 H ARG 67 H ARG 67 0.117 12.836 13.743 502 HA ARG 67 HA ARG 67 -0.969 15.610 13.891 503 HB2 ARG 67 1HB ARG 67 1.792 14.597 13.208 504 HB3 ARG 67 2HB ARG 67 1.200 16.142 12.571 505 HG2 ARG 67 1HG ARG 67 0.803 16.981 14.743 506 HG3 ARG 67 2HG ARG 67 1.179 15.429 15.494 507 HD2 ARG 67 1HD ARG 67 3.393 15.736 15.342 508 HD3 ARG 67 2HD ARG 67 3.275 16.620 13.799 509 HE ARG 67 HE ARG 67 1.999 18.185 15.782 510 HH11 ARG 67 1HH1 ARG 67 5.336 17.141 15.122 511 HH12 ARG 67 2HH1 ARG 67 5.983 18.628 15.794 512 HH21 ARG 67 1HH2 ARG 67 2.915 19.948 16.649 513 HH22 ARG 67 2HH2 ARG 67 4.651 20.187 16.646 514 H TRP 68 H TRP 68 -1.077 16.706 11.836 515 HA TRP 68 HA TRP 68 -1.414 14.867 9.504 516 HB2 TRP 68 1HB TRP 68 -3.345 16.980 10.511 517 HB3 TRP 68 2HB TRP 68 -3.423 16.263 8.898 518 HD1 TRP 68 HD1 TRP 68 -3.792 15.225 12.607 519 HE1 TRP 68 HE1 TRP 68 -5.296 13.179 12.783 520 HE3 TRP 68 HE3 TRP 68 -4.339 14.318 7.605 521 HZ2 TRP 68 HZ2 TRP 68 -6.582 11.415 10.985 522 HZ3 TRP 68 HZ3 TRP 68 -5.786 12.409 6.885 523 HH2 TRP 68 HH2 TRP 68 -6.907 10.968 8.597 524 H TYR 69 H TYR 69 -0.896 15.820 7.538 525 HA TYR 69 HA TYR 69 0.156 18.640 7.646 526 HB2 TYR 69 1HB TYR 69 1.332 16.154 6.339 527 HB3 TYR 69 2HB TYR 69 1.832 17.794 5.934 528 HD1 TYR 69 HD1 TYR 69 3.696 18.708 7.007 529 HD2 TYR 69 HD2 TYR 69 1.525 15.570 9.024 530 HE1 TYR 69 HE1 TYR 69 5.436 18.629 8.790 531 HE2 TYR 69 HE2 TYR 69 3.272 15.512 10.789 532 HH TYR 69 HH TYR 69 5.222 16.404 11.573 533 H PHE 70 H PHE 70 -0.409 19.835 5.756 534 HA PHE 70 HA PHE 70 -2.586 18.635 4.184 535 HB2 PHE 70 1HB PHE 70 -2.947 20.880 5.080 536 HB3 PHE 70 2HB PHE 70 -1.472 21.459 4.296 537 HD1 PHE 70 HD1 PHE 70 -4.759 19.824 3.455 538 HD2 PHE 70 HD2 PHE 70 -1.609 22.451 2.178 539 HE1 PHE 70 HE1 PHE 70 -6.049 20.366 1.396 540 HE2 PHE 70 HE2 PHE 70 -2.906 23.019 0.137 541 HZ PHE 70 HZ PHE 70 -5.126 21.975 -0.269 542 H TYR 71 H TYR 71 -2.468 18.179 2.073 543 HA TYR 71 HA TYR 71 0.069 18.765 0.637 544 HB2 TYR 71 1HB TYR 71 -1.027 16.203 1.633 545 HB3 TYR 71 2HB TYR 71 -0.392 16.176 -0.041 546 HD1 TYR 71 HD1 TYR 71 0.398 16.030 3.479 547 HD2 TYR 71 HD2 TYR 71 2.060 17.053 -0.360 548 HE1 TYR 71 HE1 TYR 71 2.701 15.837 4.418 549 HE2 TYR 71 HE2 TYR 71 4.364 16.887 0.602 550 HH TYR 71 HH TYR 71 4.927 15.930 4.006 551 H TYR 72 H TYR 72 -0.308 19.167 -1.475 552 HA TYR 72 HA TYR 72 -3.029 19.733 -2.211 553 HB2 TYR 72 1HB TYR 72 -0.439 19.901 -3.778 554 HB3 TYR 72 2HB TYR 72 -1.997 20.556 -4.299 555 HD1 TYR 72 HD1 TYR 72 0.707 20.876 -1.725 556 HD2 TYR 72 HD2 TYR 72 -2.856 22.625 -3.393 557 HE1 TYR 72 HE1 TYR 72 1.102 22.956 -0.412 558 HE2 TYR 72 HE2 TYR 72 -2.421 24.715 -2.106 559 HH TYR 72 HH TYR 72 -1.047 25.770 -0.609 560 H LEU 73 H LEU 73 -4.045 19.050 -4.244 561 HA LEU 73 HA LEU 73 -4.434 16.279 -4.290 562 HB2 LEU 73 1HB LEU 73 -5.678 18.381 -5.367 563 HB3 LEU 73 2HB LEU 73 -4.799 17.886 -6.796 564 HG LEU 73 HG LEU 73 -7.018 16.457 -5.343 565 HD11 LEU 73 1HD1 LEU 73 -8.101 16.593 -7.478 566 HD12 LEU 73 2HD1 LEU 73 -6.605 17.101 -8.273 567 HD13 LEU 73 3HD1 LEU 73 -7.417 18.184 -7.133 568 HD21 LEU 73 1HD2 LEU 73 -5.503 14.645 -5.757 569 HD22 LEU 73 2HD2 LEU 73 -5.158 15.234 -7.403 570 HD23 LEU 73 3HD2 LEU 73 -6.763 14.593 -6.992 571 H GLY 74 H GLY 74 -3.308 14.596 -5.068 572 HA2 GLY 74 1HA GLY 74 -1.948 13.373 -6.460 573 HA3 GLY 74 2HA GLY 74 -2.052 14.696 -7.626 574 H THR 75 H THR 75 -0.687 15.022 -4.314 575 HA THR 75 HA THR 75 1.866 15.781 -5.604 576 HB THR 75 HB THR 75 2.536 16.041 -3.071 577 HG1 THR 75 HG1 THR 75 -0.291 16.301 -2.825 578 HG21 THR 75 1HG2 THR 75 1.372 18.265 -2.950 579 HG22 THR 75 2HG2 THR 75 0.511 17.834 -4.447 580 HG23 THR 75 3HG2 THR 75 2.286 17.982 -4.443 581 H GLY 76 H GLY 76 3.794 14.654 -5.253 582 HA2 GLY 76 1HA GLY 76 5.062 12.774 -4.606 583 HA3 GLY 76 2HA GLY 76 3.612 11.987 -3.949 584 HA PRO 77 HA PRO 77 4.216 11.397 -8.720 585 HB2 PRO 77 1HB PRO 77 6.196 9.536 -9.112 586 HB3 PRO 77 2HB PRO 77 6.483 11.285 -9.027 587 HG2 PRO 77 1HG PRO 77 6.794 9.283 -6.833 588 HG3 PRO 77 2HG PRO 77 7.968 10.504 -7.417 589 HD2 PRO 77 1HD PRO 77 6.420 10.995 -5.281 590 HD3 PRO 77 2HD PRO 77 6.752 12.287 -6.491 591 H GLU 78 H GLU 78 4.767 8.885 -6.326 592 HA GLU 78 HA GLU 78 3.174 6.933 -7.929 593 HB2 GLU 78 1HB GLU 78 5.028 6.548 -5.549 594 HB3 GLU 78 2HB GLU 78 4.185 5.252 -6.411 595 HG2 GLU 78 1HG GLU 78 5.424 5.818 -8.471 596 HG3 GLU 78 2HG GLU 78 6.289 7.093 -7.594 597 H ALA 79 H ALA 79 2.185 9.261 -6.282 598 HA ALA 79 HA ALA 79 1.291 8.283 -3.793 599 HB1 ALA 79 1HB ALA 79 -0.303 10.201 -3.863 600 HB2 ALA 79 2HB ALA 79 0.151 10.472 -5.563 601 HB3 ALA 79 3HB ALA 79 1.363 10.647 -4.278 602 H GLY 80 H GLY 80 -0.137 8.176 -7.023 603 HA2 GLY 80 1HA GLY 80 -1.899 6.962 -7.873 604 HA3 GLY 80 2HA GLY 80 -1.698 5.885 -6.486 605 H LEU 81 H LEU 81 -2.579 9.344 -6.190 606 HA LEU 81 HA LEU 81 -5.217 8.428 -5.227 607 HB2 LEU 81 1HB LEU 81 -3.159 10.304 -4.121 608 HB3 LEU 81 2HB LEU 81 -4.844 10.586 -3.809 609 HG LEU 81 HG LEU 81 -3.290 8.143 -2.970 610 HD11 LEU 81 1HD1 LEU 81 -3.694 9.087 -0.695 611 HD12 LEU 81 2HD1 LEU 81 -4.463 10.502 -1.434 612 HD13 LEU 81 3HD1 LEU 81 -2.738 10.177 -1.716 613 HD21 LEU 81 1HD2 LEU 81 -5.607 7.496 -3.453 614 HD22 LEU 81 2HD2 LEU 81 -6.213 8.866 -2.500 615 HD23 LEU 81 3HD2 LEU 81 -5.356 7.552 -1.694 616 HA PRO 82 HA PRO 82 -6.654 11.774 -7.942 617 HB2 PRO 82 1HB PRO 82 -9.008 10.560 -8.558 618 HB3 PRO 82 2HB PRO 82 -7.484 10.095 -9.383 619 HG2 PRO 82 1HG PRO 82 -8.916 8.748 -7.119 620 HG3 PRO 82 2HG PRO 82 -8.136 8.027 -8.549 621 HD2 PRO 82 1HD PRO 82 -7.001 8.139 -6.091 622 HD3 PRO 82 2HD PRO 82 -6.083 8.029 -7.609 623 H TYR 83 H TYR 83 -8.636 13.135 -7.448 624 HA TYR 83 HA TYR 83 -8.885 13.482 -4.640 625 HB2 TYR 83 1HB TYR 83 -9.259 15.222 -6.383 626 HB3 TYR 83 2HB TYR 83 -10.771 14.427 -6.812 627 HD1 TYR 83 HD1 TYR 83 -8.978 16.387 -4.228 628 HD2 TYR 83 HD2 TYR 83 -12.739 14.612 -5.322 629 HE1 TYR 83 HE1 TYR 83 -10.106 17.670 -2.428 630 HE2 TYR 83 HE2 TYR 83 -13.863 15.903 -3.502 631 HH TYR 83 HH TYR 83 -13.593 17.365 -1.758 632 H GLY 84 H GLY 84 -10.212 12.653 -3.147 633 HA2 GLY 84 1HA GLY 84 -12.214 11.759 -2.331 634 HA3 GLY 84 2HA GLY 84 -12.739 11.395 -3.976 635 H ALA 85 H ALA 85 -9.665 10.151 -3.940 636 HA ALA 85 HA ALA 85 -10.653 7.467 -3.703 637 HB1 ALA 85 1HB ALA 85 -8.816 7.729 -5.094 638 HB2 ALA 85 2HB ALA 85 -8.158 6.914 -3.662 639 HB3 ALA 85 3HB ALA 85 -7.901 8.663 -3.891 640 H ASN 86 H ASN 86 -10.843 6.127 -2.062 641 HA ASN 86 HA ASN 86 -10.438 7.124 0.641 642 HB2 ASN 86 1HB ASN 86 -12.361 5.668 -0.043 643 HB3 ASN 86 2HB ASN 86 -11.216 4.346 -0.329 644 HD21 ASN 86 1HD2 ASN 86 -11.891 3.328 2.936 645 HD22 ASN 86 2HD2 ASN 86 -12.029 2.984 1.229 646 H LYS 87 H LYS 87 -8.713 6.842 1.919 647 HA LYS 87 HA LYS 87 -6.977 4.494 1.639 648 HB2 LYS 87 1HB LYS 87 -6.107 6.074 -0.074 649 HB3 LYS 87 2HB LYS 87 -5.931 7.301 1.144 650 HG2 LYS 87 1HG LYS 87 -4.116 6.227 2.201 651 HG3 LYS 87 2HG LYS 87 -4.500 4.650 1.463 652 HD2 LYS 87 1HD LYS 87 -3.531 7.063 -0.082 653 HD3 LYS 87 2HD LYS 87 -2.456 5.814 0.543 654 HE2 LYS 87 1HE LYS 87 -3.620 4.103 -0.837 655 HE3 LYS 87 2HE LYS 87 -4.716 5.342 -1.467 656 HZ1 LYS 87 1HZ LYS 87 -2.938 4.904 -3.034 657 HZ2 LYS 87 2HZ LYS 87 -1.777 5.265 -1.923 658 HZ3 LYS 87 3HZ LYS 87 -2.783 6.445 -2.482 659 H ASP 88 H ASP 88 -5.648 4.303 3.539 660 HA ASP 88 HA ASP 88 -6.933 5.285 5.897 661 HB2 ASP 88 1HB ASP 88 -5.631 3.155 5.771 662 HB3 ASP 88 2HB ASP 88 -4.146 4.105 5.592 663 H GLY 89 H GLY 89 -6.604 7.033 7.114 664 HA2 GLY 89 1HA GLY 89 -5.657 8.967 7.912 665 HA3 GLY 89 2HA GLY 89 -4.108 8.410 7.271 666 H ILE 90 H ILE 90 -6.910 8.875 5.158 667 HA ILE 90 HA ILE 90 -5.663 11.400 4.160 668 HB ILE 90 HB ILE 90 -6.854 9.140 2.451 669 HG12 ILE 90 1HG1 ILE 90 -4.620 8.582 3.289 670 HG13 ILE 90 2HG1 ILE 90 -4.631 8.831 1.553 671 HG21 ILE 90 1HG2 ILE 90 -6.002 10.590 0.524 672 HG22 ILE 90 2HG2 ILE 90 -5.760 11.899 1.705 673 HG23 ILE 90 3HG2 ILE 90 -7.388 11.256 1.403 674 HD11 ILE 90 1HD1 ILE 90 -2.680 9.718 2.878 675 HD12 ILE 90 2HD1 ILE 90 -3.773 11.035 3.387 676 HD13 ILE 90 3HD1 ILE 90 -3.425 10.776 1.661 677 H ILE 91 H ILE 91 -6.978 13.048 4.086 678 HA ILE 91 HA ILE 91 -9.905 12.536 3.692 679 HB ILE 91 HB ILE 91 -10.393 14.510 5.176 680 HG12 ILE 91 1HG1 ILE 91 -8.002 14.258 6.823 681 HG13 ILE 91 2HG1 ILE 91 -7.582 14.777 5.216 682 HG21 ILE 91 1HG2 ILE 91 -10.344 13.264 7.258 683 HG22 ILE 91 2HG2 ILE 91 -9.089 12.167 6.625 684 HG23 ILE 91 3HG2 ILE 91 -10.724 12.156 5.924 685 HD11 ILE 91 1HD1 ILE 91 -8.036 16.696 6.694 686 HD12 ILE 91 2HD1 ILE 91 -9.702 16.126 6.912 687 HD13 ILE 91 3HD1 ILE 91 -9.130 16.641 5.303 688 H TRP 92 H TRP 92 -10.611 13.494 1.912 689 HA TRP 92 HA TRP 92 -8.920 15.492 0.605 690 HB2 TRP 92 1HB TRP 92 -11.504 14.127 -0.191 691 HB3 TRP 92 2HB TRP 92 -10.594 15.240 -1.214 692 HD1 TRP 92 HD1 TRP 92 -10.556 11.680 0.053 693 HE1 TRP 92 HE1 TRP 92 -8.711 10.335 -1.051 694 HE3 TRP 92 HE3 TRP 92 -8.158 15.576 -2.249 695 HZ2 TRP 92 HZ2 TRP 92 -6.474 10.890 -2.699 696 HZ3 TRP 92 HZ3 TRP 92 -6.110 15.086 -3.582 697 HH2 TRP 92 HH2 TRP 92 -5.277 12.741 -3.817 698 H VAL 93 H VAL 93 -9.284 17.595 0.258 699 HA VAL 93 HA VAL 93 -11.906 18.753 1.066 700 HB VAL 93 HB VAL 93 -10.645 20.669 2.161 701 HG11 VAL 93 1HG1 VAL 93 -10.281 19.516 4.295 702 HG12 VAL 93 2HG1 VAL 93 -10.279 17.942 3.468 703 HG13 VAL 93 3HG1 VAL 93 -11.758 18.933 3.505 704 HG21 VAL 93 1HG2 VAL 93 -8.391 20.140 1.139 705 HG22 VAL 93 2HG2 VAL 93 -8.288 18.727 2.211 706 HG23 VAL 93 3HG2 VAL 93 -8.348 20.363 2.897 707 H ALA 94 H ALA 94 -12.409 20.715 0.012 708 HA ALA 94 HA ALA 94 -10.568 21.880 -1.934 709 HB1 ALA 94 1HB ALA 94 -11.507 19.881 -3.182 710 HB2 ALA 94 2HB ALA 94 -11.959 21.442 -3.899 711 HB3 ALA 94 3HB ALA 94 -13.137 20.539 -2.915 712 H THR 95 H THR 95 -11.772 23.762 -2.967 713 HA THR 95 HA THR 95 -14.079 24.684 -1.321 714 HB THR 95 HB THR 95 -11.922 25.770 -0.516 715 HG1 THR 95 HG1 THR 95 -12.823 27.895 -0.685 716 HG21 THR 95 1HG2 THR 95 -10.818 27.413 -1.915 717 HG22 THR 95 2HG2 THR 95 -11.951 27.118 -3.251 718 HG23 THR 95 3HG2 THR 95 -10.798 25.855 -2.763 719 H GLU 96 H GLU 96 -14.850 26.853 -2.643 720 HA GLU 96 HA GLU 96 -15.720 25.827 -5.176 721 HB2 GLU 96 1HB GLU 96 -16.954 27.421 -3.683 722 HB3 GLU 96 2HB GLU 96 -15.809 28.687 -4.157 723 HG2 GLU 96 1HG GLU 96 -16.525 28.485 -6.494 724 HG3 GLU 96 2HG GLU 96 -17.594 27.138 -6.067 725 H GLY 97 H GLY 97 -14.955 26.118 -7.187 726 HA2 GLY 97 1HA GLY 97 -13.835 27.216 -8.931 727 HA3 GLY 97 2HA GLY 97 -13.000 28.239 -7.757 728 H ALA 98 H ALA 98 -12.573 25.361 -6.402 729 HA ALA 98 HA ALA 98 -9.868 25.132 -7.363 730 HB1 ALA 98 1HB ALA 98 -11.353 23.115 -5.687 731 HB2 ALA 98 2HB ALA 98 -10.783 24.670 -5.032 732 HB3 ALA 98 3HB ALA 98 -9.615 23.518 -5.695 733 H LEU 99 H LEU 99 -9.011 23.797 -8.928 734 HA LEU 99 HA LEU 99 -10.964 22.250 -10.524 735 HB2 LEU 99 1HB LEU 99 -8.111 23.122 -10.949 736 HB3 LEU 99 2HB LEU 99 -8.847 21.898 -11.964 737 HG LEU 99 HG LEU 99 -9.820 24.758 -11.717 738 HD11 LEU 99 1HD1 LEU 99 -8.901 24.933 -14.008 739 HD12 LEU 99 2HD1 LEU 99 -8.311 23.254 -13.896 740 HD13 LEU 99 3HD1 LEU 99 -7.639 24.513 -12.831 741 HD21 LEU 99 1HD2 LEU 99 -11.200 24.156 -13.719 742 HD22 LEU 99 2HD2 LEU 99 -11.697 23.298 -12.252 743 HD23 LEU 99 3HD2 LEU 99 -10.734 22.452 -13.494 744 H ASN 100 H ASN 100 -10.959 20.151 -10.896 745 HA ASN 100 HA ASN 100 -9.486 18.454 -9.007 746 HB2 ASN 100 1HB ASN 100 -11.902 18.085 -9.491 747 HB3 ASN 100 2HB ASN 100 -11.495 17.727 -11.175 748 HD21 ASN 100 1HD2 ASN 100 -11.522 14.379 -10.157 749 HD22 ASN 100 2HD2 ASN 100 -12.336 15.644 -11.041 750 H THR 101 H THR 101 -7.387 19.115 -10.003 751 HA THR 101 HA THR 101 -6.678 17.102 -12.064 752 HB THR 101 HB THR 101 -7.102 19.535 -13.052 753 HG1 THR 101 HG1 THR 101 -5.391 19.161 -14.520 754 HG21 THR 101 1HG2 THR 101 -5.163 20.983 -13.019 755 HG22 THR 101 2HG2 THR 101 -4.256 19.815 -12.017 756 HG23 THR 101 3HG2 THR 101 -5.681 20.679 -11.348 757 HA PRO 102 HA PRO 102 -3.344 16.642 -9.174 758 HB2 PRO 102 1HB PRO 102 -1.239 16.008 -10.810 759 HB3 PRO 102 2HB PRO 102 -2.525 14.828 -10.377 760 HG2 PRO 102 1HG PRO 102 -2.218 16.543 -12.834 761 HG3 PRO 102 2HG PRO 102 -2.605 14.795 -12.718 762 HD2 PRO 102 1HD PRO 102 -4.524 16.615 -13.103 763 HD3 PRO 102 2HD PRO 102 -4.793 15.218 -12.009 764 H LYS 103 H LYS 103 -1.624 17.780 -8.259 765 HA LYS 103 HA LYS 103 -0.210 19.768 -9.916 766 HB2 LYS 103 1HB LYS 103 -0.733 21.596 -8.231 767 HB3 LYS 103 2HB LYS 103 -1.962 21.151 -9.391 768 HG2 LYS 103 1HG LYS 103 -2.874 19.616 -7.412 769 HG3 LYS 103 2HG LYS 103 -1.915 20.695 -6.417 770 HD2 LYS 103 1HD LYS 103 -4.164 21.562 -6.504 771 HD3 LYS 103 2HD LYS 103 -3.116 22.624 -7.440 772 HE2 LYS 103 1HE LYS 103 -3.946 20.963 -9.440 773 HE3 LYS 103 2HE LYS 103 -5.342 20.840 -8.372 774 HZ1 LYS 103 1HZ LYS 103 -5.411 22.655 -10.106 775 HZ2 LYS 103 2HZ LYS 103 -4.244 23.455 -9.260 776 HZ3 LYS 103 3HZ LYS 103 -5.716 23.162 -8.571 777 H ASP 104 H ASP 104 1.088 17.695 -9.125 778 HA ASP 104 HA ASP 104 2.267 17.735 -6.542 779 HB2 ASP 104 1HB ASP 104 2.434 15.963 -8.431 780 HB3 ASP 104 2HB ASP 104 3.760 16.951 -9.054 781 H HIS 105 H HIS 105 2.629 19.837 -9.250 782 HA HIS 105 HA HIS 105 5.261 20.799 -8.861 783 HB2 HIS 105 1HB HIS 105 4.697 22.580 -10.289 784 HB3 HIS 105 2HB HIS 105 3.694 21.234 -10.835 785 HD1 HIS 105 HD1 HIS 105 3.522 24.616 -9.091 786 HD2 HIS 105 HD2 HIS 105 0.896 21.688 -10.557 787 HE1 HIS 105 HE1 HIS 105 1.179 25.644 -9.097 788 H ILE 106 H ILE 106 2.612 21.127 -6.735 789 HA ILE 106 HA ILE 106 3.661 23.666 -5.618 790 HB ILE 106 HB ILE 106 1.212 22.056 -4.712 791 HG12 ILE 106 1HG1 ILE 106 1.346 24.458 -6.576 792 HG13 ILE 106 2HG1 ILE 106 1.058 22.794 -7.096 793 HG21 ILE 106 1HG2 ILE 106 2.108 23.704 -3.041 794 HG22 ILE 106 2HG2 ILE 106 0.562 24.258 -3.679 795 HG23 ILE 106 3HG2 ILE 106 2.069 24.988 -4.266 796 HD11 ILE 106 1HD1 ILE 106 -0.742 24.557 -5.461 797 HD12 ILE 106 2HD1 ILE 106 -0.961 22.791 -5.561 798 HD13 ILE 106 3HD1 ILE 106 -1.041 23.783 -7.028 799 H GLY 107 H GLY 107 3.571 20.177 -4.966 800 HA2 GLY 107 1HA GLY 107 4.178 20.448 -2.149 801 HA3 GLY 107 2HA GLY 107 4.226 18.970 -3.111 802 H THR 108 H THR 108 6.126 21.281 -4.599 803 HA THR 108 HA THR 108 8.554 19.873 -3.812 804 HB THR 108 HB THR 108 8.026 20.480 -6.185 805 HG1 THR 108 HG1 THR 108 10.367 21.538 -4.978 806 HG21 THR 108 1HG2 THR 108 8.311 22.760 -6.978 807 HG22 THR 108 2HG2 THR 108 8.653 23.340 -5.337 808 HG23 THR 108 3HG2 THR 108 7.030 22.738 -5.753 809 H ARG 109 H ARG 109 7.106 22.018 -1.936 810 HA ARG 109 HA ARG 109 9.057 24.122 -1.638 811 HB2 ARG 109 1HB ARG 109 6.776 24.153 -0.528 812 HB3 ARG 109 2HB ARG 109 7.351 22.883 0.560 813 HG2 ARG 109 1HG ARG 109 9.273 24.514 1.177 814 HG3 ARG 109 2HG ARG 109 8.339 25.758 0.346 815 HD2 ARG 109 1HD ARG 109 7.912 25.866 2.730 816 HD3 ARG 109 2HD ARG 109 6.454 25.325 1.898 817 HE ARG 109 HE ARG 109 6.606 23.253 2.933 818 HH11 ARG 109 1HH1 ARG 109 9.609 25.030 3.641 819 HH12 ARG 109 2HH1 ARG 109 10.068 23.878 4.857 820 HH21 ARG 109 1HH2 ARG 109 7.261 21.900 4.478 821 HH22 ARG 109 2HH2 ARG 109 8.785 22.127 5.314 822 H ASN 110 H ASN 110 11.099 24.016 -0.849 823 HA ASN 110 HA ASN 110 11.834 21.466 0.505 824 HB2 ASN 110 1HB ASN 110 13.072 22.928 -1.647 825 HB3 ASN 110 2HB ASN 110 14.155 22.966 -0.251 826 HD21 ASN 110 1HD2 ASN 110 15.203 19.934 -1.907 827 HD22 ASN 110 2HD2 ASN 110 15.390 21.677 -2.000 828 HA PRO 111 HA PRO 111 12.068 24.001 4.039 829 HB2 PRO 111 1HB PRO 111 13.508 22.463 5.772 830 HB3 PRO 111 2HB PRO 111 11.840 22.041 5.266 831 HG2 PRO 111 1HG PRO 111 14.450 21.049 4.134 832 HG3 PRO 111 2HG PRO 111 13.047 20.100 4.727 833 HD2 PRO 111 1HD PRO 111 13.349 20.616 2.108 834 HD3 PRO 111 2HD PRO 111 11.723 20.688 2.871 835 H ALA 112 H ALA 112 15.001 23.002 2.421 836 HA ALA 112 HA ALA 112 16.770 24.666 4.029 837 HB1 ALA 112 1HB ALA 112 17.128 23.450 1.250 838 HB2 ALA 112 2HB ALA 112 17.578 22.667 2.788 839 HB3 ALA 112 3HB ALA 112 18.412 24.148 2.262 840 H ASN 113 H ASN 113 14.596 25.098 1.366 841 HA ASN 113 HA ASN 113 15.915 27.617 0.521 842 HB2 ASN 113 1HB ASN 113 13.643 26.000 -0.701 843 HB3 ASN 113 2HB ASN 113 14.321 27.476 -1.390 844 HD21 ASN 113 1HD2 ASN 113 15.855 24.420 -2.928 845 HD22 ASN 113 2HD2 ASN 113 14.204 24.901 -2.619 846 H ASN 114 H ASN 114 12.987 26.432 2.120 847 HA ASN 114 HA ASN 114 12.261 29.205 2.762 848 HB2 ASN 114 1HB ASN 114 11.139 29.036 0.663 849 HB3 ASN 114 2HB ASN 114 10.510 27.419 1.051 850 HD21 ASN 114 1HD2 ASN 114 7.715 28.614 2.671 851 HD22 ASN 114 2HD2 ASN 114 8.551 27.344 1.813 852 H ALA 115 H ALA 115 10.895 29.424 4.495 853 HA ALA 115 HA ALA 115 10.727 27.075 6.248 854 HB1 ALA 115 1HB ALA 115 9.968 28.718 7.933 855 HB2 ALA 115 2HB ALA 115 9.890 29.976 6.678 856 HB3 ALA 115 3HB ALA 115 11.460 29.264 7.132 857 H ALA 116 H ALA 116 8.854 26.168 7.066 858 HA ALA 116 HA ALA 116 6.535 26.173 5.375 859 HB1 ALA 116 1HB ALA 116 7.278 24.184 6.687 860 HB2 ALA 116 2HB ALA 116 5.591 24.626 7.021 861 HB3 ALA 116 3HB ALA 116 6.865 25.045 8.190 862 H ILE 117 H ILE 117 4.495 26.947 5.739 863 HA ILE 117 HA ILE 117 4.342 29.419 7.328 864 HB ILE 117 HB ILE 117 2.303 28.031 5.546 865 HG12 ILE 117 1HG1 ILE 117 3.826 30.482 4.713 866 HG13 ILE 117 2HG1 ILE 117 4.602 28.910 4.566 867 HG21 ILE 117 1HG2 ILE 117 1.227 29.659 7.057 868 HG22 ILE 117 2HG2 ILE 117 1.236 30.291 5.406 869 HG23 ILE 117 3HG2 ILE 117 2.415 30.900 6.590 870 HD11 ILE 117 1HD1 ILE 117 2.768 28.076 3.193 871 HD12 ILE 117 2HD1 ILE 117 3.519 29.528 2.485 872 HD13 ILE 117 3HD1 ILE 117 1.957 29.656 3.323 873 H VAL 118 H VAL 118 3.100 29.611 9.278 874 HA VAL 118 HA VAL 118 2.242 27.250 10.681 875 HB VAL 118 HB VAL 118 1.374 30.174 11.012 876 HG11 VAL 118 1HG1 VAL 118 1.045 27.804 12.902 877 HG12 VAL 118 2HG1 VAL 118 -0.259 28.669 12.057 878 HG13 VAL 118 3HG1 VAL 118 0.696 29.496 13.302 879 HG21 VAL 118 1HG2 VAL 118 3.518 28.524 12.425 880 HG22 VAL 118 2HG2 VAL 118 2.998 30.151 12.924 881 HG23 VAL 118 3HG2 VAL 118 3.784 29.916 11.350 882 H LEU 119 H LEU 119 0.471 26.021 10.297 883 HA LEU 119 HA LEU 119 -1.213 26.629 8.064 884 HB2 LEU 119 1HB LEU 119 -0.563 24.360 9.004 885 HB3 LEU 119 2HB LEU 119 -1.782 24.601 10.247 886 HG LEU 119 HG LEU 119 -2.591 24.849 7.345 887 HD11 LEU 119 1HD1 LEU 119 -2.144 22.216 8.799 888 HD12 LEU 119 2HD1 LEU 119 -1.219 22.821 7.417 889 HD13 LEU 119 3HD1 LEU 119 -2.931 22.420 7.215 890 HD21 LEU 119 1HD2 LEU 119 -3.929 23.839 9.890 891 HD22 LEU 119 2HD2 LEU 119 -4.662 23.711 8.281 892 HD23 LEU 119 3HD2 LEU 119 -4.324 25.304 8.975 893 H GLN 120 H GLN 120 -3.055 27.703 7.901 894 HA GLN 120 HA GLN 120 -4.590 28.449 10.356 895 HB2 GLN 120 1HB GLN 120 -3.739 30.214 8.042 896 HB3 GLN 120 2HB GLN 120 -4.950 30.671 9.246 897 HG2 GLN 120 1HG GLN 120 -3.382 30.923 10.929 898 HG3 GLN 120 2HG GLN 120 -2.212 29.873 10.134 899 HE21 GLN 120 1HE2 GLN 120 -0.731 32.390 8.217 900 HE22 GLN 120 2HE2 GLN 120 -0.864 30.671 8.540 901 H LEU 121 H LEU 121 -6.830 28.847 9.860 902 HA LEU 121 HA LEU 121 -7.683 27.624 7.265 903 HB2 LEU 121 1HB LEU 121 -8.830 27.622 10.051 904 HB3 LEU 121 2HB LEU 121 -9.931 27.572 8.687 905 HG LEU 121 HG LEU 121 -7.769 25.514 9.208 906 HD11 LEU 121 1HD1 LEU 121 -9.444 25.452 10.945 907 HD12 LEU 121 2HD1 LEU 121 -9.771 24.107 9.831 908 HD13 LEU 121 3HD1 LEU 121 -10.757 25.582 9.760 909 HD21 LEU 121 1HD2 LEU 121 -8.361 25.604 6.826 910 HD22 LEU 121 2HD2 LEU 121 -10.094 25.589 7.218 911 HD23 LEU 121 3HD2 LEU 121 -9.084 24.160 7.551 912 HA PRO 122 HA PRO 122 -9.234 31.602 6.383 913 HB2 PRO 122 1HB PRO 122 -11.230 31.117 4.605 914 HB3 PRO 122 2HB PRO 122 -9.493 30.816 4.204 915 HG2 PRO 122 1HG PRO 122 -11.588 28.880 5.177 916 HG3 PRO 122 2HG PRO 122 -10.508 28.745 3.752 917 HD2 PRO 122 1HD PRO 122 -9.911 27.565 6.093 918 HD3 PRO 122 2HD PRO 122 -8.633 28.304 5.070 919 H GLN 123 H GLN 123 -11.126 33.008 6.542 920 HA GLN 123 HA GLN 123 -12.543 32.676 8.947 921 HB2 GLN 123 1HB GLN 123 -12.141 34.817 7.687 922 HB3 GLN 123 2HB GLN 123 -13.364 34.314 6.513 923 HG2 GLN 123 1HG GLN 123 -15.084 34.339 8.267 924 HG3 GLN 123 2HG GLN 123 -13.864 34.778 9.475 925 HE21 GLN 123 1HE2 GLN 123 -15.513 37.914 8.560 926 HE22 GLN 123 2HE2 GLN 123 -15.906 36.432 9.396 927 H GLY 124 H GLY 124 -14.356 31.621 9.497 928 HA2 GLY 124 1HA GLY 124 -16.571 30.818 9.022 929 HA3 GLY 124 2HA GLY 124 -16.115 30.587 7.330 930 H THR 125 H THR 125 -13.429 29.341 8.296 931 HA THR 125 HA THR 125 -14.668 26.703 8.978 932 HB THR 125 HB THR 125 -11.907 27.121 7.790 933 HG1 THR 125 HG1 THR 125 -13.542 27.953 6.394 934 HG21 THR 125 1HG2 THR 125 -13.833 24.755 7.741 935 HG22 THR 125 2HG2 THR 125 -12.480 24.899 8.864 936 HG23 THR 125 3HG2 THR 125 -12.174 24.788 7.126 937 H THR 126 H THR 126 -14.234 25.750 10.830 938 HA THR 126 HA THR 126 -11.965 26.771 12.479 939 HB THR 126 HB THR 126 -13.444 25.880 14.411 940 HG1 THR 126 HG1 THR 126 -15.659 25.856 13.909 941 HG21 THR 126 1HG2 THR 126 -14.664 27.987 14.575 942 HG22 THR 126 2HG2 THR 126 -14.396 28.304 12.845 943 HG23 THR 126 3HG2 THR 126 -13.016 28.277 13.971 944 H LEU 127 H LEU 127 -10.792 25.260 13.637 945 HA LEU 127 HA LEU 127 -10.566 22.644 12.418 946 HB2 LEU 127 1HB LEU 127 -9.486 23.707 15.039 947 HB3 LEU 127 2HB LEU 127 -8.999 22.204 14.307 948 HG LEU 127 HG LEU 127 -8.515 24.902 13.023 949 HD11 LEU 127 1HD1 LEU 127 -7.324 24.724 15.183 950 HD12 LEU 127 2HD1 LEU 127 -6.200 24.681 13.809 951 HD13 LEU 127 3HD1 LEU 127 -6.616 23.179 14.664 952 HD21 LEU 127 1HD2 LEU 127 -7.336 22.141 12.495 953 HD22 LEU 127 2HD2 LEU 127 -6.911 23.646 11.645 954 HD23 LEU 127 3HD2 LEU 127 -8.536 22.965 11.476 955 HA PRO 128 HA PRO 128 -13.509 20.712 15.096 956 HB2 PRO 128 1HB PRO 128 -12.722 18.102 15.141 957 HB3 PRO 128 2HB PRO 128 -13.418 18.875 13.686 958 HG2 PRO 128 1HG PRO 128 -10.589 18.284 14.353 959 HG3 PRO 128 2HG PRO 128 -11.446 18.117 12.802 960 HD2 PRO 128 1HD PRO 128 -9.784 20.237 13.495 961 HD3 PRO 128 2HD PRO 128 -11.068 20.340 12.257 962 H LYS 129 H LYS 129 -13.637 19.426 17.200 963 HA LYS 129 HA LYS 129 -12.088 20.768 19.130 964 HB2 LYS 129 1HB LYS 129 -14.365 19.345 19.180 965 HB3 LYS 129 2HB LYS 129 -13.288 18.117 19.848 966 HG2 LYS 129 1HG LYS 129 -13.351 20.928 20.965 967 HG3 LYS 129 2HG LYS 129 -14.568 19.745 21.445 968 HD2 LYS 129 1HD LYS 129 -12.870 18.248 22.324 969 HD3 LYS 129 2HD LYS 129 -11.575 19.299 21.740 970 HE2 LYS 129 1HE LYS 129 -13.664 20.215 23.738 971 HE3 LYS 129 2HE LYS 129 -12.104 19.505 24.205 972 HZ1 LYS 129 1HZ LYS 129 -12.453 21.979 22.591 973 HZ2 LYS 129 2HZ LYS 129 -11.007 21.301 22.969 974 HZ3 LYS 129 3HZ LYS 129 -11.966 21.909 24.168 975 H GLY 130 H GLY 130 -10.201 20.490 20.055 976 HA2 GLY 130 1HA GLY 130 -8.489 19.200 21.043 977 HA3 GLY 130 2HA GLY 130 -8.960 17.801 20.078 978 H PHE 131 H PHE 131 -8.877 20.162 17.815 979 HA PHE 131 HA PHE 131 -6.127 19.457 17.086 980 HB2 PHE 131 1HB PHE 131 -8.592 20.228 15.654 981 HB3 PHE 131 2HB PHE 131 -7.110 20.952 15.038 982 HD1 PHE 131 HD1 PHE 131 -5.335 19.619 14.094 983 HD2 PHE 131 HD2 PHE 131 -8.950 17.818 15.527 984 HE1 PHE 131 HE1 PHE 131 -4.776 17.528 12.856 985 HE2 PHE 131 HE2 PHE 131 -8.419 15.742 14.283 986 HZ PHE 131 HZ PHE 131 -6.324 15.597 12.955 987 H TYR 132 H TYR 132 -4.590 20.788 16.900 988 HA TYR 132 HA TYR 132 -5.041 23.711 16.893 989 HB2 TYR 132 1HB TYR 132 -3.287 24.099 18.553 990 HB3 TYR 132 2HB TYR 132 -4.652 23.228 19.245 991 HD1 TYR 132 HD1 TYR 132 -1.064 23.162 18.555 992 HD2 TYR 132 HD2 TYR 132 -4.421 20.740 19.757 993 HE1 TYR 132 HE1 TYR 132 0.490 21.466 19.523 994 HE2 TYR 132 HE2 TYR 132 -2.861 19.059 20.714 995 HH TYR 132 HH TYR 132 -0.700 18.532 21.177 996 H ALA 133 H ALA 133 -3.060 24.850 16.148 997 HA ALA 133 HA ALA 133 -1.679 23.131 14.153 998 HB1 ALA 133 1HB ALA 133 -2.998 25.023 13.253 999 HB2 ALA 133 2HB ALA 133 -1.262 25.240 12.933 1000 HB3 ALA 133 3HB ALA 133 -2.047 26.154 14.236 1001 H GLU 134 H GLU 134 0.506 23.115 13.881 1002 HA GLU 134 HA GLU 134 2.112 23.736 16.238 1003 HB2 GLU 134 1HB GLU 134 2.710 21.840 14.852 1004 HB3 GLU 134 2HB GLU 134 2.761 22.841 13.414 1005 HG2 GLU 134 1HG GLU 134 5.006 22.391 13.966 1006 HG3 GLU 134 2HG GLU 134 4.728 24.074 14.428 1007 H GLY 135 H GLY 135 3.374 25.524 16.597 1008 HA2 GLY 135 1HA GLY 135 4.401 27.572 16.092 1009 HA3 GLY 135 2HA GLY 135 3.763 27.493 14.444 1010 H SER 136 H SER 136 1.164 26.800 16.318 1011 HA SER 136 HA SER 136 0.400 29.677 16.652 1012 HB2 SER 136 1HB SER 136 -0.790 28.326 14.823 1013 HB3 SER 136 2HB SER 136 -1.500 27.369 16.137 1014 HG SER 136 HG SER 136 -2.761 29.224 15.381 1015 H ARG 137 H ARG 137 -1.756 29.533 18.215 1016 HA ARG 137 HA ARG 137 -1.149 27.699 20.462 1017 HB2 ARG 137 1HB ARG 137 0.047 29.950 20.737 1018 HB3 ARG 137 2HB ARG 137 -1.552 30.695 20.818 1019 HG2 ARG 137 1HG ARG 137 -0.824 30.425 23.050 1020 HG3 ARG 137 2HG ARG 137 -2.037 29.161 22.779 1021 HD2 ARG 137 1HD ARG 137 -0.226 27.518 22.369 1022 HD3 ARG 137 2HD ARG 137 0.983 28.790 22.629 1023 HE ARG 137 HE ARG 137 -0.662 28.729 24.914 1024 HH11 ARG 137 1HH1 ARG 137 1.648 26.579 23.331 1025 HH12 ARG 137 2HH1 ARG 137 2.084 25.792 24.824 1026 HH21 ARG 137 1HH2 ARG 137 -0.050 27.684 26.786 1027 HH22 ARG 137 2HH2 ARG 137 1.139 26.412 26.744 1028 H GLY 138 H GLY 138 -2.975 27.046 21.526 1029 HA2 GLY 138 1HA GLY 138 -5.235 27.174 22.207 1030 HA3 GLY 138 2HA GLY 138 -5.522 28.465 21.021 1031 H GLY 139 H GLY 139 -7.355 26.433 21.132 1032 HA2 GLY 139 1HA GLY 139 -7.309 25.381 18.480 1033 HA3 GLY 139 2HA GLY 139 -6.871 24.105 19.648 1034 H SER 140 H SER 140 -9.217 23.674 18.385 1035 HA SER 140 HA SER 140 -11.434 25.003 19.734 1036 HB2 SER 140 1HB SER 140 -11.421 22.552 17.956 1037 HB3 SER 140 2HB SER 140 -12.828 23.549 18.373 1038 HG SER 140 HG SER 140 -11.851 24.021 16.302 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 15.864 -2.797 5.628 2 H2 GLY 1 2H GLY 1 14.677 -2.077 4.736 3 H3 GLY 1 3H GLY 1 14.501 -2.232 6.368 4 HA2 GLY 1 1HA GLY 1 16.353 -0.759 6.763 5 HA3 GLY 1 2HA GLY 1 16.517 -0.575 5.004 6 H ALA 2 H ALA 2 16.183 1.758 5.334 7 HA ALA 2 HA ALA 2 13.392 2.494 6.063 8 HB1 ALA 2 1HB ALA 2 15.259 3.794 7.102 9 HB2 ALA 2 2HB ALA 2 14.270 4.811 6.031 10 HB3 ALA 2 3HB ALA 2 15.853 4.219 5.476 11 H MET 3 H MET 3 12.228 3.906 4.528 12 HA MET 3 HA MET 3 13.143 3.600 1.697 13 HB2 MET 3 1HB MET 3 10.313 3.347 2.804 14 HB3 MET 3 2HB MET 3 10.726 3.443 1.089 15 HG2 MET 3 1HG MET 3 10.468 1.173 1.370 16 HG3 MET 3 2HG MET 3 12.217 1.351 1.579 17 HE1 MET 3 1HE MET 3 10.474 -1.219 2.540 18 HE2 MET 3 2HE MET 3 11.253 -1.538 4.108 19 HE3 MET 3 3HE MET 3 12.242 -1.085 2.697 20 H GLY 4 H GLY 4 13.624 5.591 0.979 21 HA2 GLY 4 1HA GLY 4 11.732 7.741 1.113 22 HA3 GLY 4 2HA GLY 4 13.006 7.970 2.323 23 H LEU 5 H LEU 5 12.461 7.454 -1.181 24 HA LEU 5 HA LEU 5 15.175 8.211 -1.877 25 HB2 LEU 5 1HB LEU 5 12.608 8.141 -3.513 26 HB3 LEU 5 2HB LEU 5 14.214 8.413 -4.183 27 HG LEU 5 HG LEU 5 13.339 5.863 -2.779 28 HD11 LEU 5 1HD1 LEU 5 13.295 4.893 -5.044 29 HD12 LEU 5 2HD1 LEU 5 13.676 6.485 -5.741 30 HD13 LEU 5 3HD1 LEU 5 12.133 6.225 -4.895 31 HD21 LEU 5 1HD2 LEU 5 15.409 4.917 -3.804 32 HD22 LEU 5 2HD2 LEU 5 15.765 6.192 -2.623 33 HD23 LEU 5 3HD2 LEU 5 15.856 6.544 -4.366 34 HA PRO 6 HA PRO 6 14.471 12.523 -1.511 35 HB2 PRO 6 1HB PRO 6 16.162 13.649 -3.354 36 HB3 PRO 6 2HB PRO 6 16.758 12.881 -1.845 37 HG2 PRO 6 1HG PRO 6 16.558 11.704 -4.615 38 HG3 PRO 6 2HG PRO 6 17.956 11.710 -3.492 39 HD2 PRO 6 1HD PRO 6 16.311 9.573 -3.705 40 HD3 PRO 6 2HD PRO 6 17.003 10.066 -2.118 41 H ASN 7 H ASN 7 12.953 13.911 -2.318 42 HA ASN 7 HA ASN 7 12.280 13.792 -5.205 43 HB2 ASN 7 1HB ASN 7 10.898 12.175 -3.648 44 HB3 ASN 7 2HB ASN 7 10.041 13.654 -3.191 45 HD21 ASN 7 1HD2 ASN 7 7.917 13.032 -5.885 46 HD22 ASN 7 2HD2 ASN 7 8.111 13.223 -4.157 47 H ASN 8 H ASN 8 12.723 15.593 -2.407 48 HA ASN 8 HA ASN 8 12.462 17.765 -1.792 49 HB2 ASN 8 1HB ASN 8 13.648 18.022 -4.030 50 HB3 ASN 8 2HB ASN 8 12.065 18.405 -4.724 51 HD21 ASN 8 1HD2 ASN 8 12.488 21.759 -3.947 52 HD22 ASN 8 2HD2 ASN 8 12.009 20.515 -5.082 53 H THR 9 H THR 9 10.156 16.286 -1.491 54 HA THR 9 HA THR 9 8.043 18.211 -2.234 55 HB THR 9 HB THR 9 6.456 16.295 -1.996 56 HG1 THR 9 HG1 THR 9 8.002 15.049 -0.696 57 HG21 THR 9 1HG2 THR 9 6.979 15.272 -4.115 58 HG22 THR 9 2HG2 THR 9 8.692 15.737 -3.965 59 HG23 THR 9 3HG2 THR 9 7.445 16.985 -4.204 60 H ALA 10 H ALA 10 7.614 19.418 -0.612 61 HA ALA 10 HA ALA 10 7.462 18.197 2.111 62 HB1 ALA 10 1HB ALA 10 8.523 20.220 3.046 63 HB2 ALA 10 2HB ALA 10 8.678 20.917 1.412 64 HB3 ALA 10 3HB ALA 10 9.604 19.463 1.853 65 H SER 11 H SER 11 5.830 18.896 3.406 66 HA SER 11 HA SER 11 3.494 20.083 2.279 67 HB2 SER 11 1HB SER 11 3.354 18.737 4.317 68 HB3 SER 11 2HB SER 11 4.461 19.837 5.162 69 HG SER 11 HG SER 11 2.805 20.994 5.685 70 H TRP 12 H TRP 12 2.858 22.196 2.113 71 HA TRP 12 HA TRP 12 4.830 24.270 2.384 72 HB2 TRP 12 1HB TRP 12 2.056 24.017 1.420 73 HB3 TRP 12 2HB TRP 12 2.449 25.583 2.145 74 HD1 TRP 12 HD1 TRP 12 2.922 23.630 -1.006 75 HE1 TRP 12 HE1 TRP 12 4.325 24.891 -2.696 76 HE3 TRP 12 HE3 TRP 12 4.611 27.294 2.127 77 HZ2 TRP 12 HZ2 TRP 12 5.984 27.221 -2.699 78 HZ3 TRP 12 HZ3 TRP 12 6.137 29.053 1.204 79 HH2 TRP 12 HH2 TRP 12 6.802 29.009 -1.201 80 H PHE 13 H PHE 13 2.529 22.858 4.496 81 HA PHE 13 HA PHE 13 2.673 25.237 6.267 82 HB2 PHE 13 1HB PHE 13 0.414 23.241 6.059 83 HB3 PHE 13 2HB PHE 13 0.406 24.797 6.902 84 HD1 PHE 13 HD1 PHE 13 -0.070 23.064 3.742 85 HD2 PHE 13 HD2 PHE 13 0.474 26.917 5.560 86 HE1 PHE 13 HE1 PHE 13 -0.823 24.157 1.644 87 HE2 PHE 13 HE2 PHE 13 -0.249 28.015 3.454 88 HZ PHE 13 HZ PHE 13 -0.868 26.621 1.485 89 H THR 14 H THR 14 2.423 24.903 8.511 90 HA THR 14 HA THR 14 4.055 22.738 9.492 91 HB THR 14 HB THR 14 3.473 23.619 11.721 92 HG1 THR 14 HG1 THR 14 1.984 25.234 11.954 93 HG21 THR 14 1HG2 THR 14 4.076 25.831 9.738 94 HG22 THR 14 2HG2 THR 14 5.264 24.746 10.492 95 HG23 THR 14 3HG2 THR 14 4.346 25.893 11.492 96 H ALA 15 H ALA 15 3.289 21.267 11.264 97 HA ALA 15 HA ALA 15 1.117 19.732 10.181 98 HB1 ALA 15 1HB ALA 15 2.522 19.271 12.830 99 HB2 ALA 15 2HB ALA 15 3.270 18.876 11.269 100 HB3 ALA 15 3HB ALA 15 1.763 18.073 11.751 101 H LEU 16 H LEU 16 -0.861 19.262 10.976 102 HA LEU 16 HA LEU 16 -1.938 20.933 13.193 103 HB2 LEU 16 1HB LEU 16 -3.101 18.790 11.380 104 HB3 LEU 16 2HB LEU 16 -3.940 19.357 12.803 105 HG LEU 16 HG LEU 16 -3.294 20.982 10.354 106 HD11 LEU 16 1HD1 LEU 16 -5.746 21.037 10.113 107 HD12 LEU 16 2HD1 LEU 16 -5.923 20.042 11.578 108 HD13 LEU 16 3HD1 LEU 16 -5.154 19.364 10.124 109 HD21 LEU 16 1HD2 LEU 16 -4.698 22.725 11.524 110 HD22 LEU 16 2HD2 LEU 16 -3.095 22.454 12.227 111 HD23 LEU 16 3HD2 LEU 16 -4.541 21.763 13.009 112 H THR 17 H THR 17 -2.544 19.959 15.193 113 HA THR 17 HA THR 17 -1.423 17.208 15.583 114 HB THR 17 HB THR 17 -1.383 19.495 17.579 115 HG1 THR 17 HG1 THR 17 0.047 19.849 15.854 116 HG21 THR 17 1HG2 THR 17 0.257 17.974 18.720 117 HG22 THR 17 2HG2 THR 17 -0.193 16.698 17.564 118 HG23 THR 17 3HG2 THR 17 -1.409 17.358 18.690 119 H GLN 18 H GLN 18 -2.797 15.784 16.374 120 HA GLN 18 HA GLN 18 -5.514 16.651 17.025 121 HB2 GLN 18 1HB GLN 18 -4.854 14.591 15.686 122 HB3 GLN 18 2HB GLN 18 -4.255 13.880 17.180 123 HG2 GLN 18 1HG GLN 18 -7.043 14.889 17.317 124 HG3 GLN 18 2HG GLN 18 -6.783 13.578 16.163 125 HE21 GLN 18 1HE2 GLN 18 -7.247 11.289 18.723 126 HE22 GLN 18 2HE2 GLN 18 -7.719 11.897 17.142 127 H HIS 19 H HIS 19 -6.389 16.829 19.022 128 HA HIS 19 HA HIS 19 -5.108 15.336 21.261 129 HB2 HIS 19 1HB HIS 19 -4.320 17.692 21.437 130 HB3 HIS 19 2HB HIS 19 -5.991 18.257 21.338 131 HD1 HIS 19 HD1 HIS 19 -3.593 16.503 23.706 132 HD2 HIS 19 HD2 HIS 19 -7.448 18.082 23.679 133 HE1 HIS 19 HE1 HIS 19 -4.367 16.596 26.115 134 H GLY 20 H GLY 20 -6.800 13.819 21.093 135 HA2 GLY 20 1HA GLY 20 -9.271 14.268 22.275 136 HA3 GLY 20 2HA GLY 20 -9.505 14.716 20.575 137 H LYS 21 H LYS 21 -10.835 13.037 19.943 138 HA LYS 21 HA LYS 21 -9.714 10.283 20.285 139 HB2 LYS 21 1HB LYS 21 -12.590 11.236 20.246 140 HB3 LYS 21 2HB LYS 21 -12.087 9.550 20.214 141 HG2 LYS 21 1HG LYS 21 -10.920 9.894 22.411 142 HG3 LYS 21 2HG LYS 21 -11.555 11.549 22.441 143 HD2 LYS 21 1HD LYS 21 -13.022 10.260 23.794 144 HD3 LYS 21 2HD LYS 21 -13.888 10.544 22.272 145 HE2 LYS 21 1HE LYS 21 -13.235 8.274 21.488 146 HE3 LYS 21 2HE LYS 21 -12.352 8.007 23.005 147 HZ1 LYS 21 1HZ LYS 21 -14.551 7.016 23.070 148 HZ2 LYS 21 2HZ LYS 21 -15.273 8.471 22.776 149 HZ3 LYS 21 3HZ LYS 21 -14.454 8.223 24.189 150 H GLU 22 H GLU 22 -11.109 12.482 17.907 151 HA GLU 22 HA GLU 22 -11.492 10.247 16.010 152 HB2 GLU 22 1HB GLU 22 -12.099 13.216 15.825 153 HB3 GLU 22 2HB GLU 22 -12.450 12.030 14.561 154 HG2 GLU 22 1HG GLU 22 -13.946 10.820 16.098 155 HG3 GLU 22 2HG GLU 22 -13.594 11.999 17.374 156 H ASP 23 H ASP 23 -10.624 10.416 13.813 157 HA ASP 23 HA ASP 23 -7.807 10.796 13.838 158 HB2 ASP 23 1HB ASP 23 -9.871 9.857 12.034 159 HB3 ASP 23 2HB ASP 23 -8.750 10.898 11.148 160 H LEU 24 H LEU 24 -10.211 12.545 11.888 161 HA LEU 24 HA LEU 24 -9.767 15.212 12.426 162 HB2 LEU 24 1HB LEU 24 -7.400 15.027 11.677 163 HB3 LEU 24 2HB LEU 24 -7.918 14.247 10.193 164 HG LEU 24 HG LEU 24 -8.980 16.339 9.447 165 HD11 LEU 24 1HD1 LEU 24 -7.792 17.594 11.950 166 HD12 LEU 24 2HD1 LEU 24 -9.521 17.357 11.634 167 HD13 LEU 24 3HD1 LEU 24 -8.585 18.456 10.612 168 HD21 LEU 24 1HD2 LEU 24 -6.925 17.595 9.033 169 HD22 LEU 24 2HD2 LEU 24 -6.652 15.850 8.863 170 HD23 LEU 24 3HD2 LEU 24 -6.101 16.694 10.329 171 H LYS 25 H LYS 25 -11.329 16.299 11.100 172 HA LYS 25 HA LYS 25 -11.997 15.145 8.508 173 HB2 LYS 25 1HB LYS 25 -13.336 13.785 10.177 174 HB3 LYS 25 2HB LYS 25 -14.136 15.277 10.674 175 HG2 LYS 25 1HG LYS 25 -15.578 14.075 9.160 176 HG3 LYS 25 2HG LYS 25 -15.013 15.540 8.343 177 HD2 LYS 25 1HD LYS 25 -13.280 14.184 7.152 178 HD3 LYS 25 2HD LYS 25 -13.897 12.724 7.945 179 HE2 LYS 25 1HE LYS 25 -15.486 14.558 6.098 180 HE3 LYS 25 2HE LYS 25 -14.754 13.007 5.630 181 HZ1 LYS 25 1HZ LYS 25 -16.854 13.347 7.695 182 HZ2 LYS 25 2HZ LYS 25 -16.169 11.912 7.260 183 HZ3 LYS 25 3HZ LYS 25 -17.091 12.747 6.176 184 H PHE 26 H PHE 26 -12.849 16.660 7.155 185 HA PHE 26 HA PHE 26 -13.752 19.234 8.361 186 HB2 PHE 26 1HB PHE 26 -11.972 18.759 5.945 187 HB3 PHE 26 2HB PHE 26 -12.848 20.270 6.209 188 HD1 PHE 26 HD1 PHE 26 -12.582 20.991 8.932 189 HD2 PHE 26 HD2 PHE 26 -9.646 19.050 6.422 190 HE1 PHE 26 HE1 PHE 26 -10.767 21.874 10.366 191 HE2 PHE 26 HE2 PHE 26 -7.845 19.897 7.903 192 HZ PHE 26 HZ PHE 26 -8.391 21.316 9.864 193 HA PRO 27 HA PRO 27 -17.249 18.340 5.767 194 HB2 PRO 27 1HB PRO 27 -18.441 20.793 5.587 195 HB3 PRO 27 2HB PRO 27 -18.389 19.864 7.117 196 HG2 PRO 27 1HG PRO 27 -16.726 22.121 6.223 197 HG3 PRO 27 2HG PRO 27 -17.456 21.808 7.807 198 HD2 PRO 27 1HD PRO 27 -14.818 21.311 7.168 199 HD3 PRO 27 2HD PRO 27 -15.727 20.446 8.456 200 H ARG 28 H ARG 28 -18.267 18.911 3.634 201 HA ARG 28 HA ARG 28 -16.266 19.203 1.589 202 HB2 ARG 28 1HB ARG 28 -18.340 17.895 1.347 203 HB3 ARG 28 2HB ARG 28 -19.275 19.399 1.368 204 HG2 ARG 28 1HG ARG 28 -18.276 20.139 -0.692 205 HG3 ARG 28 2HG ARG 28 -17.109 18.796 -0.675 206 HD2 ARG 28 1HD ARG 28 -18.864 17.192 -0.923 207 HD3 ARG 28 2HD ARG 28 -20.095 18.458 -0.750 208 HE ARG 28 HE ARG 28 -18.418 19.165 -2.921 209 HH11 ARG 28 1HH1 ARG 28 -20.839 16.700 -2.182 210 HH12 ARG 28 2HH1 ARG 28 -21.296 16.519 -3.855 211 HH21 ARG 28 1HH2 ARG 28 -19.057 18.877 -5.031 212 HH22 ARG 28 2HH2 ARG 28 -20.302 17.728 -5.434 213 H GLY 29 H GLY 29 -15.598 20.975 0.421 214 HA2 GLY 29 1HA GLY 29 -15.736 23.119 -0.497 215 HA3 GLY 29 2HA GLY 29 -17.220 23.421 0.426 216 H GLN 30 H GLN 30 -14.873 22.058 2.401 217 HA GLN 30 HA GLN 30 -13.748 24.650 3.302 218 HB2 GLN 30 1HB GLN 30 -15.735 22.880 4.655 219 HB3 GLN 30 2HB GLN 30 -14.459 23.555 5.660 220 HG2 GLN 30 1HG GLN 30 -15.149 25.821 4.997 221 HG3 GLN 30 2HG GLN 30 -16.455 25.124 4.017 222 HE21 GLN 30 1HE2 GLN 30 -16.689 25.002 8.119 223 HE22 GLN 30 2HE2 GLN 30 -15.129 25.152 7.332 224 H GLY 31 H GLY 31 -12.186 24.212 5.114 225 HA2 GLY 31 1HA GLY 31 -10.916 22.654 6.404 226 HA3 GLY 31 2HA GLY 31 -11.183 21.422 5.170 227 H VAL 32 H VAL 32 -10.530 23.554 3.076 228 HA VAL 32 HA VAL 32 -7.738 22.921 2.845 229 HB VAL 32 HB VAL 32 -9.379 25.154 1.526 230 HG11 VAL 32 1HG1 VAL 32 -7.574 25.035 -0.206 231 HG12 VAL 32 2HG1 VAL 32 -6.640 24.015 0.885 232 HG13 VAL 32 3HG1 VAL 32 -7.052 25.686 1.334 233 HG21 VAL 32 1HG2 VAL 32 -9.482 23.635 -0.420 234 HG22 VAL 32 2HG2 VAL 32 -10.277 22.925 0.999 235 HG23 VAL 32 3HG2 VAL 32 -8.653 22.374 0.515 236 HA PRO 33 HA PRO 33 -6.503 26.073 5.754 237 HB2 PRO 33 1HB PRO 33 -3.800 25.850 5.462 238 HB3 PRO 33 2HB PRO 33 -4.789 24.618 6.303 239 HG2 PRO 33 1HG PRO 33 -3.743 24.615 3.532 240 HG3 PRO 33 2HG PRO 33 -3.742 23.314 4.736 241 HD2 PRO 33 1HD PRO 33 -5.557 23.423 2.764 242 HD3 PRO 33 2HD PRO 33 -5.919 22.739 4.380 243 H ILE 34 H ILE 34 -5.073 28.102 5.673 244 HA ILE 34 HA ILE 34 -5.761 29.517 3.236 245 HB ILE 34 HB ILE 34 -4.006 30.367 5.566 246 HG12 ILE 34 1HG1 ILE 34 -6.866 31.071 4.823 247 HG13 ILE 34 2HG1 ILE 34 -6.402 29.903 6.059 248 HG21 ILE 34 1HG2 ILE 34 -3.490 31.591 3.408 249 HG22 ILE 34 2HG2 ILE 34 -4.168 32.644 4.656 250 HG23 ILE 34 3HG2 ILE 34 -5.197 32.074 3.316 251 HD11 ILE 34 1HD1 ILE 34 -6.951 31.917 7.143 252 HD12 ILE 34 2HD1 ILE 34 -5.900 32.857 6.068 253 HD13 ILE 34 3HD1 ILE 34 -5.194 31.716 7.238 254 H ASN 35 H ASN 35 -4.829 29.034 1.470 255 HA ASN 35 HA ASN 35 -1.973 28.263 1.457 256 HB2 ASN 35 1HB ASN 35 -4.065 28.105 -0.732 257 HB3 ASN 35 2HB ASN 35 -2.397 27.566 -0.884 258 HD21 ASN 35 1HD2 ASN 35 -4.527 24.636 -0.167 259 HD22 ASN 35 2HD2 ASN 35 -4.466 25.866 -1.401 260 H THR 36 H THR 36 -1.137 30.331 1.852 261 HA THR 36 HA THR 36 -1.741 32.647 0.272 262 HB THR 36 HB THR 36 0.364 33.530 1.250 263 HG1 THR 36 HG1 THR 36 1.705 32.160 2.380 264 HG21 THR 36 1HG2 THR 36 -1.726 33.337 2.660 265 HG22 THR 36 2HG2 THR 36 -0.209 33.323 3.584 266 HG23 THR 36 3HG2 THR 36 -1.078 31.800 3.289 267 H ASN 37 H ASN 37 0.022 29.861 -0.421 268 HA ASN 37 HA ASN 37 1.700 31.174 -2.503 269 HB2 ASN 37 1HB ASN 37 3.026 29.101 -2.417 270 HB3 ASN 37 2HB ASN 37 2.861 29.800 -0.801 271 HD21 ASN 37 1HD2 ASN 37 1.133 27.090 0.562 272 HD22 ASN 37 2HD2 ASN 37 1.728 28.722 0.776 273 H SER 38 H SER 38 -1.317 30.357 -2.702 274 HA SER 38 HA SER 38 -0.943 28.727 -5.170 275 HB2 SER 38 1HB SER 38 -2.998 28.144 -3.022 276 HB3 SER 38 2HB SER 38 -2.715 27.218 -4.497 277 HG SER 38 HG SER 38 -0.395 27.349 -3.341 278 H SER 39 H SER 39 -2.515 28.824 -6.731 279 HA SER 39 HA SER 39 -4.052 31.268 -6.937 280 HB2 SER 39 1HB SER 39 -4.376 28.760 -8.593 281 HB3 SER 39 2HB SER 39 -4.555 30.448 -9.114 282 HG SER 39 HG SER 39 -2.328 28.848 -8.927 283 HA PRO 40 HA PRO 40 -7.752 29.842 -5.145 284 HB2 PRO 40 1HB PRO 40 -9.847 30.427 -6.812 285 HB3 PRO 40 2HB PRO 40 -8.939 31.679 -5.902 286 HG2 PRO 40 1HG PRO 40 -8.545 30.777 -8.749 287 HG3 PRO 40 2HG PRO 40 -8.761 32.441 -8.113 288 HD2 PRO 40 1HD PRO 40 -6.309 31.476 -8.618 289 HD3 PRO 40 2HD PRO 40 -6.607 32.470 -7.150 290 H ASP 41 H ASP 41 -7.230 28.684 -8.487 291 HA ASP 41 HA ASP 41 -9.091 26.476 -8.146 292 HB2 ASP 41 1HB ASP 41 -8.421 25.727 -10.241 293 HB3 ASP 41 2HB ASP 41 -8.381 27.489 -10.372 294 H ASP 42 H ASP 42 -5.856 27.163 -7.258 295 HA ASP 42 HA ASP 42 -4.869 24.440 -7.208 296 HB2 ASP 42 1HB ASP 42 -3.798 27.096 -6.322 297 HB3 ASP 42 2HB ASP 42 -2.958 25.602 -5.945 298 H GLN 43 H GLN 43 -6.870 26.142 -5.146 299 HA GLN 43 HA GLN 43 -5.855 25.544 -2.588 300 HB2 GLN 43 1HB GLN 43 -8.716 25.766 -3.573 301 HB3 GLN 43 2HB GLN 43 -8.231 25.828 -1.886 302 HG2 GLN 43 1HG GLN 43 -7.484 27.806 -4.042 303 HG3 GLN 43 2HG GLN 43 -8.601 28.081 -2.708 304 HE21 GLN 43 1HE2 GLN 43 -4.758 28.960 -2.326 305 HE22 GLN 43 2HE2 GLN 43 -5.611 28.723 -3.833 306 H ILE 44 H ILE 44 -7.431 23.377 -4.840 307 HA ILE 44 HA ILE 44 -8.476 21.488 -3.028 308 HB ILE 44 HB ILE 44 -8.988 21.614 -5.435 309 HG12 ILE 44 1HG1 ILE 44 -7.960 18.845 -4.936 310 HG13 ILE 44 2HG1 ILE 44 -9.240 19.531 -3.928 311 HG21 ILE 44 1HG2 ILE 44 -6.174 20.539 -5.836 312 HG22 ILE 44 2HG2 ILE 44 -6.844 22.080 -6.422 313 HG23 ILE 44 3HG2 ILE 44 -7.418 20.540 -7.082 314 HD11 ILE 44 1HD1 ILE 44 -9.368 19.282 -6.955 315 HD12 ILE 44 2HD1 ILE 44 -10.650 19.920 -5.903 316 HD13 ILE 44 3HD1 ILE 44 -10.176 18.212 -5.797 317 H GLY 45 H GLY 45 -7.768 19.706 -1.959 318 HA2 GLY 45 1HA GLY 45 -5.306 18.383 -2.483 319 HA3 GLY 45 2HA GLY 45 -5.033 19.587 -1.213 320 H TYR 46 H TYR 46 -4.541 17.819 0.213 321 HA TYR 46 HA TYR 46 -6.964 16.908 1.597 322 HB2 TYR 46 1HB TYR 46 -6.445 14.559 1.490 323 HB3 TYR 46 2HB TYR 46 -6.533 15.166 -0.158 324 HD1 TYR 46 HD1 TYR 46 -4.421 15.470 -1.488 325 HD2 TYR 46 HD2 TYR 46 -4.446 13.724 2.445 326 HE1 TYR 46 HE1 TYR 46 -2.140 14.554 -1.905 327 HE2 TYR 46 HE2 TYR 46 -2.158 12.766 1.988 328 HH TYR 46 HH TYR 46 -0.398 13.354 -1.070 329 H TYR 47 H TYR 47 -6.242 15.675 3.652 330 HA TYR 47 HA TYR 47 -3.539 16.690 4.508 331 HB2 TYR 47 1HB TYR 47 -5.976 16.064 6.165 332 HB3 TYR 47 2HB TYR 47 -4.385 16.320 6.829 333 HD1 TYR 47 HD1 TYR 47 -6.870 18.158 4.621 334 HD2 TYR 47 HD2 TYR 47 -3.822 18.396 7.658 335 HE1 TYR 47 HE1 TYR 47 -7.336 20.571 4.921 336 HE2 TYR 47 HE2 TYR 47 -4.314 20.813 7.942 337 HH TYR 47 HH TYR 47 -6.919 22.453 6.159 338 H ARG 48 H ARG 48 -2.164 15.247 5.386 339 HA ARG 48 HA ARG 48 -2.952 12.363 5.175 340 HB2 ARG 48 1HB ARG 48 -1.207 13.408 3.604 341 HB3 ARG 48 2HB ARG 48 -0.162 13.571 5.005 342 HG2 ARG 48 1HG ARG 48 -0.008 11.204 5.283 343 HG3 ARG 48 2HG ARG 48 -1.356 10.927 4.168 344 HD2 ARG 48 1HD ARG 48 0.027 12.027 2.359 345 HD3 ARG 48 2HD ARG 48 1.401 11.974 3.480 346 HE ARG 48 HE ARG 48 0.276 9.371 3.318 347 HH11 ARG 48 1HH1 ARG 48 2.005 11.611 1.203 348 HH12 ARG 48 2HH1 ARG 48 2.714 10.326 0.263 349 HH21 ARG 48 1HH2 ARG 48 1.222 7.784 2.075 350 HH22 ARG 48 2HH2 ARG 48 2.264 8.198 0.742 351 H ARG 49 H ARG 49 -2.934 11.227 7.047 352 HA ARG 49 HA ARG 49 -1.968 12.434 9.514 353 HB2 ARG 49 1HB ARG 49 -3.659 10.917 9.943 354 HB3 ARG 49 2HB ARG 49 -3.130 9.789 8.703 355 HG2 ARG 49 1HG ARG 49 -1.616 8.731 10.089 356 HG3 ARG 49 2HG ARG 49 -1.378 10.151 11.112 357 HD2 ARG 49 1HD ARG 49 -2.576 8.260 12.232 358 HD3 ARG 49 2HD ARG 49 -3.396 9.819 12.285 359 HE ARG 49 HE ARG 49 -5.193 8.938 11.177 360 HH11 ARG 49 1HH1 ARG 49 -2.503 6.682 10.584 361 HH12 ARG 49 2HH1 ARG 49 -3.583 5.511 9.843 362 HH21 ARG 49 1HH2 ARG 49 -6.421 7.410 10.352 363 HH22 ARG 49 2HH2 ARG 49 -5.754 5.902 9.718 364 H ALA 50 H ALA 50 -0.034 12.342 10.419 365 HA ALA 50 HA ALA 50 2.023 10.555 9.181 366 HB1 ALA 50 1HB ALA 50 2.535 12.930 8.825 367 HB2 ALA 50 2HB ALA 50 3.669 12.203 9.989 368 HB3 ALA 50 3HB ALA 50 2.345 13.244 10.570 369 H THR 51 H THR 51 2.665 9.008 10.442 370 HA THR 51 HA THR 51 2.856 9.308 13.365 371 HB THR 51 HB THR 51 1.690 6.827 13.265 372 HG1 THR 51 HG1 THR 51 1.054 7.034 11.107 373 HG21 THR 51 1HG2 THR 51 -0.338 7.843 14.162 374 HG22 THR 51 2HG2 THR 51 0.169 9.429 13.543 375 HG23 THR 51 3HG2 THR 51 1.108 8.637 14.832 376 H ARG 52 H ARG 52 4.418 7.931 14.206 377 HA ARG 52 HA ARG 52 5.302 5.615 12.597 378 HB2 ARG 52 1HB ARG 52 6.604 7.675 11.772 379 HB3 ARG 52 2HB ARG 52 7.303 7.772 13.386 380 HG2 ARG 52 1HG ARG 52 8.914 6.635 12.084 381 HG3 ARG 52 2HG ARG 52 8.122 5.363 13.029 382 HD2 ARG 52 1HD ARG 52 8.378 4.590 10.745 383 HD3 ARG 52 2HD ARG 52 6.654 4.873 11.048 384 HE ARG 52 HE ARG 52 7.755 7.244 9.959 385 HH11 ARG 52 1HH1 ARG 52 7.031 3.956 8.893 386 HH12 ARG 52 2HH1 ARG 52 6.834 4.441 7.232 387 HH21 ARG 52 1HH2 ARG 52 7.473 7.786 7.820 388 HH22 ARG 52 2HH2 ARG 52 7.086 6.567 6.638 389 H ARG 53 H ARG 53 5.581 4.000 14.080 390 HA ARG 53 HA ARG 53 6.436 4.828 16.827 391 HB2 ARG 53 1HB ARG 53 4.013 3.671 16.119 392 HB3 ARG 53 2HB ARG 53 4.972 2.299 16.648 393 HG2 ARG 53 1HG ARG 53 3.986 2.937 18.629 394 HG3 ARG 53 2HG ARG 53 5.500 3.854 18.712 395 HD2 ARG 53 1HD ARG 53 4.311 5.752 18.896 396 HD3 ARG 53 2HD ARG 53 3.637 5.469 17.283 397 HE ARG 53 HE ARG 53 2.233 3.882 19.205 398 HH11 ARG 53 1HH1 ARG 53 2.504 7.260 18.180 399 HH12 ARG 53 2HH1 ARG 53 0.900 7.642 18.792 400 HH21 ARG 53 1HH2 ARG 53 0.205 4.478 19.929 401 HH22 ARG 53 2HH2 ARG 53 -0.348 6.123 19.741 402 H ILE 54 H ILE 54 7.757 3.653 17.897 403 HA ILE 54 HA ILE 54 8.912 1.214 16.726 404 HB ILE 54 HB ILE 54 11.151 1.951 16.837 405 HG12 ILE 54 1HG1 ILE 54 11.275 3.084 18.933 406 HG13 ILE 54 2HG1 ILE 54 11.943 4.104 17.684 407 HG21 ILE 54 1HG2 ILE 54 11.381 3.835 15.312 408 HG22 ILE 54 2HG2 ILE 54 9.722 4.364 15.667 409 HG23 ILE 54 3HG2 ILE 54 10.006 2.818 14.833 410 HD11 ILE 54 1HD1 ILE 54 10.765 5.488 19.172 411 HD12 ILE 54 2HD1 ILE 54 9.319 4.467 19.079 412 HD13 ILE 54 3HD1 ILE 54 9.836 5.413 17.664 413 H ARG 55 H ARG 55 10.524 0.432 18.580 414 HA ARG 55 HA ARG 55 9.416 1.188 21.251 415 HB2 ARG 55 1HB ARG 55 8.575 -1.061 20.335 416 HB3 ARG 55 2HB ARG 55 10.228 -1.649 20.485 417 HG2 ARG 55 1HG ARG 55 8.798 -0.403 22.854 418 HG3 ARG 55 2HG ARG 55 8.477 -2.082 22.402 419 HD2 ARG 55 1HD ARG 55 11.245 -0.995 23.039 420 HD3 ARG 55 2HD ARG 55 10.195 -1.807 24.207 421 HE ARG 55 HE ARG 55 10.480 -3.484 21.936 422 HH11 ARG 55 1HH1 ARG 55 12.427 -2.311 24.637 423 HH12 ARG 55 2HH1 ARG 55 13.441 -3.731 24.643 424 HH21 ARG 55 1HH2 ARG 55 11.829 -5.257 21.990 425 HH22 ARG 55 2HH2 ARG 55 13.111 -5.360 23.163 426 H GLY 56 H GLY 56 11.144 2.487 21.842 427 HA2 GLY 56 1HA GLY 56 13.868 1.772 21.178 428 HA3 GLY 56 2HA GLY 56 13.347 3.005 22.354 429 H GLY 57 H GLY 57 15.468 0.818 22.545 430 HA2 GLY 57 1HA GLY 57 14.506 -1.220 24.288 431 HA3 GLY 57 2HA GLY 57 16.189 -0.673 24.160 432 H ASP 58 H ASP 58 15.575 2.062 24.807 433 HA ASP 58 HA ASP 58 15.468 1.828 27.731 434 HB2 ASP 58 1HB ASP 58 17.220 3.087 26.322 435 HB3 ASP 58 2HB ASP 58 15.982 4.325 26.112 436 H GLY 59 H GLY 59 13.061 1.737 25.758 437 HA2 GLY 59 1HA GLY 59 10.834 2.028 26.343 438 HA3 GLY 59 2HA GLY 59 11.308 3.155 27.611 439 H LYS 60 H LYS 60 12.844 4.386 25.027 440 HA LYS 60 HA LYS 60 10.983 6.530 24.813 441 HB2 LYS 60 1HB LYS 60 13.523 5.803 23.361 442 HB3 LYS 60 2HB LYS 60 12.534 7.180 22.841 443 HG2 LYS 60 1HG LYS 60 13.616 8.410 24.366 444 HG3 LYS 60 2HG LYS 60 12.675 7.529 25.578 445 HD2 LYS 60 1HD LYS 60 14.649 5.764 25.318 446 HD3 LYS 60 2HD LYS 60 15.540 7.212 24.797 447 HE2 LYS 60 1HE LYS 60 14.214 8.175 26.989 448 HE3 LYS 60 2HE LYS 60 14.414 6.477 27.464 449 HZ1 LYS 60 1HZ LYS 60 16.755 6.697 27.296 450 HZ2 LYS 60 2HZ LYS 60 16.233 7.989 28.166 451 HZ3 LYS 60 3HZ LYS 60 16.668 8.191 26.586 452 H MET 61 H MET 61 9.391 6.950 23.653 453 HA MET 61 HA MET 61 8.600 5.221 21.367 454 HB2 MET 61 1HB MET 61 7.141 7.444 22.868 455 HB3 MET 61 2HB MET 61 6.442 6.449 21.587 456 HG2 MET 61 1HG MET 61 7.427 5.438 24.280 457 HG3 MET 61 2HG MET 61 5.735 5.704 23.831 458 HE1 MET 61 1HE MET 61 4.995 2.884 21.294 459 HE2 MET 61 2HE MET 61 5.278 4.619 21.016 460 HE3 MET 61 3HE MET 61 4.311 4.087 22.413 461 H LYS 62 H LYS 62 7.443 6.762 19.587 462 HA LYS 62 HA LYS 62 9.452 8.891 18.970 463 HB2 LYS 62 1HB LYS 62 8.212 6.854 17.385 464 HB3 LYS 62 2HB LYS 62 7.617 8.410 16.804 465 HG2 LYS 62 1HG LYS 62 10.513 7.703 17.152 466 HG3 LYS 62 2HG LYS 62 9.611 7.630 15.628 467 HD2 LYS 62 1HD LYS 62 9.165 10.052 15.754 468 HD3 LYS 62 2HD LYS 62 10.022 10.141 17.307 469 HE2 LYS 62 1HE LYS 62 12.076 9.301 16.199 470 HE3 LYS 62 2HE LYS 62 11.225 9.366 14.638 471 HZ1 LYS 62 1HZ LYS 62 12.509 11.393 15.047 472 HZ2 LYS 62 2HZ LYS 62 11.682 11.684 16.444 473 HZ3 LYS 62 3HZ LYS 62 10.898 11.752 14.996 474 H ASP 63 H ASP 63 6.008 8.198 18.538 475 HA ASP 63 HA ASP 63 5.367 10.973 19.347 476 HB2 ASP 63 1HB ASP 63 3.645 11.042 17.563 477 HB3 ASP 63 2HB ASP 63 5.290 10.925 16.922 478 H LEU 64 H LEU 64 2.934 11.056 19.815 479 HA LEU 64 HA LEU 64 2.063 8.488 21.089 480 HB2 LEU 64 1HB LEU 64 1.893 11.318 22.190 481 HB3 LEU 64 2HB LEU 64 0.940 9.984 22.802 482 HG LEU 64 HG LEU 64 2.645 10.329 24.349 483 HD11 LEU 64 1HD1 LEU 64 3.849 8.233 24.424 484 HD12 LEU 64 2HD1 LEU 64 3.614 7.978 22.680 485 HD13 LEU 64 3HD1 LEU 64 2.218 7.943 23.787 486 HD21 LEU 64 1HD2 LEU 64 5.002 10.466 23.936 487 HD22 LEU 64 2HD2 LEU 64 4.190 11.641 22.884 488 HD23 LEU 64 3HD2 LEU 64 4.787 10.105 22.211 489 H SER 65 H SER 65 1.003 11.759 20.075 490 HA SER 65 HA SER 65 -1.596 10.588 19.198 491 HB2 SER 65 1HB SER 65 -1.661 12.444 20.893 492 HB3 SER 65 2HB SER 65 -0.845 13.496 19.715 493 HG SER 65 HG SER 65 -3.020 13.845 19.471 494 HA PRO 66 HA PRO 66 -0.067 11.278 15.138 495 HB2 PRO 66 1HB PRO 66 -2.312 11.547 13.617 496 HB3 PRO 66 2HB PRO 66 -1.880 9.995 14.403 497 HG2 PRO 66 1HG PRO 66 -3.753 12.128 15.376 498 HG3 PRO 66 2HG PRO 66 -4.054 10.372 15.169 499 HD2 PRO 66 1HD PRO 66 -3.381 11.388 17.562 500 HD3 PRO 66 2HD PRO 66 -2.721 9.809 17.019 501 H ARG 67 H ARG 67 0.400 12.807 13.546 502 HA ARG 67 HA ARG 67 -0.805 15.523 13.952 503 HB2 ARG 67 1HB ARG 67 1.811 14.991 12.540 504 HB3 ARG 67 2HB ARG 67 1.215 16.495 13.252 505 HG2 ARG 67 1HG ARG 67 1.377 15.202 15.503 506 HG3 ARG 67 2HG ARG 67 2.415 14.095 14.574 507 HD2 ARG 67 1HD ARG 67 3.959 15.568 15.402 508 HD3 ARG 67 2HD ARG 67 3.601 16.282 13.817 509 HE ARG 67 HE ARG 67 1.836 17.367 15.805 510 HH11 ARG 67 1HH1 ARG 67 5.220 17.643 14.795 511 HH12 ARG 67 2HH1 ARG 67 5.356 19.270 15.445 512 HH21 ARG 67 1HH2 ARG 67 2.131 19.381 16.638 513 HH22 ARG 67 2HH2 ARG 67 3.678 20.206 16.499 514 H TRP 68 H TRP 68 -1.042 16.720 11.865 515 HA TRP 68 HA TRP 68 -1.290 14.854 9.533 516 HB2 TRP 68 1HB TRP 68 -3.266 16.949 10.462 517 HB3 TRP 68 2HB TRP 68 -3.307 16.194 8.870 518 HD1 TRP 68 HD1 TRP 68 -3.573 15.141 12.600 519 HE1 TRP 68 HE1 TRP 68 -5.110 13.124 12.804 520 HE3 TRP 68 HE3 TRP 68 -4.386 14.357 7.616 521 HZ2 TRP 68 HZ2 TRP 68 -6.514 11.414 11.046 522 HZ3 TRP 68 HZ3 TRP 68 -5.899 12.496 6.924 523 HH2 TRP 68 HH2 TRP 68 -6.959 11.035 8.648 524 H TYR 69 H TYR 69 -0.708 15.700 7.575 525 HA TYR 69 HA TYR 69 0.310 18.536 7.586 526 HB2 TYR 69 1HB TYR 69 1.468 16.013 6.336 527 HB3 TYR 69 2HB TYR 69 1.975 17.643 5.890 528 HD1 TYR 69 HD1 TYR 69 1.801 15.299 8.876 529 HD2 TYR 69 HD2 TYR 69 3.653 18.781 7.119 530 HE1 TYR 69 HE1 TYR 69 3.516 15.316 10.678 531 HE2 TYR 69 HE2 TYR 69 5.360 18.772 8.933 532 HH TYR 69 HH TYR 69 6.115 17.749 10.832 533 H PHE 70 H PHE 70 -0.175 19.684 5.641 534 HA PHE 70 HA PHE 70 -2.392 18.487 4.097 535 HB2 PHE 70 1HB PHE 70 -2.785 20.713 5.021 536 HB3 PHE 70 2HB PHE 70 -1.309 21.319 4.260 537 HD1 PHE 70 HD1 PHE 70 -1.297 22.066 1.991 538 HD2 PHE 70 HD2 PHE 70 -4.713 19.957 3.522 539 HE1 PHE 70 HE1 PHE 70 -2.579 22.672 -0.055 540 HE2 PHE 70 HE2 PHE 70 -5.992 20.535 1.464 541 HZ PHE 70 HZ PHE 70 -4.932 21.908 -0.324 542 H TYR 71 H TYR 71 -2.288 18.076 1.973 543 HA TYR 71 HA TYR 71 0.206 18.764 0.511 544 HB2 TYR 71 1HB TYR 71 -0.738 16.126 1.450 545 HB3 TYR 71 2HB TYR 71 -0.216 16.183 -0.254 546 HD1 TYR 71 HD1 TYR 71 0.833 16.176 3.244 547 HD2 TYR 71 HD2 TYR 71 2.164 16.965 -0.773 548 HE1 TYR 71 HE1 TYR 71 3.207 16.059 4.002 549 HE2 TYR 71 HE2 TYR 71 4.541 16.865 0.000 550 HH TYR 71 HH TYR 71 5.403 16.093 3.377 551 H TYR 72 H TYR 72 -0.113 18.970 -1.666 552 HA TYR 72 HA TYR 72 -2.826 19.583 -2.452 553 HB2 TYR 72 1HB TYR 72 -0.164 19.697 -3.899 554 HB3 TYR 72 2HB TYR 72 -1.696 20.243 -4.592 555 HD1 TYR 72 HD1 TYR 72 -2.721 22.339 -3.923 556 HD2 TYR 72 HD2 TYR 72 0.785 20.903 -1.868 557 HE1 TYR 72 HE1 TYR 72 -2.476 24.538 -2.782 558 HE2 TYR 72 HE2 TYR 72 0.989 23.101 -0.705 559 HH TYR 72 HH TYR 72 -1.056 25.862 -1.496 560 H LEU 73 H LEU 73 -3.825 18.871 -4.453 561 HA LEU 73 HA LEU 73 -4.211 16.091 -4.536 562 HB2 LEU 73 1HB LEU 73 -5.343 18.307 -5.698 563 HB3 LEU 73 2HB LEU 73 -4.578 17.562 -7.086 564 HG LEU 73 HG LEU 73 -6.778 16.427 -5.344 565 HD11 LEU 73 1HD1 LEU 73 -8.072 16.537 -7.379 566 HD12 LEU 73 2HD1 LEU 73 -6.634 16.953 -8.334 567 HD13 LEU 73 3HD1 LEU 73 -7.283 18.106 -7.153 568 HD21 LEU 73 1HD2 LEU 73 -6.792 14.472 -6.916 569 HD22 LEU 73 2HD2 LEU 73 -5.390 14.511 -5.840 570 HD23 LEU 73 3HD2 LEU 73 -5.218 15.011 -7.541 571 H GLY 74 H GLY 74 -3.185 14.406 -5.468 572 HA2 GLY 74 1HA GLY 74 -1.920 13.234 -6.995 573 HA3 GLY 74 2HA GLY 74 -1.688 14.717 -7.918 574 H THR 75 H THR 75 -0.696 14.613 -4.512 575 HA THR 75 HA THR 75 2.097 14.900 -5.472 576 HB THR 75 HB THR 75 2.510 15.304 -2.949 577 HG1 THR 75 HG1 THR 75 -0.261 15.883 -2.878 578 HG21 THR 75 1HG2 THR 75 1.565 17.617 -3.042 579 HG22 THR 75 2HG2 THR 75 0.704 17.173 -4.533 580 HG23 THR 75 3HG2 THR 75 2.484 17.170 -4.494 581 H GLY 76 H GLY 76 3.756 13.556 -4.838 582 HA2 GLY 76 1HA GLY 76 4.657 11.670 -3.665 583 HA3 GLY 76 2HA GLY 76 3.020 11.021 -3.448 584 HA PRO 77 HA PRO 77 4.941 10.142 -7.785 585 HB2 PRO 77 1HB PRO 77 6.737 8.083 -7.541 586 HB3 PRO 77 2HB PRO 77 7.183 9.800 -7.392 587 HG2 PRO 77 1HG PRO 77 6.601 7.852 -5.192 588 HG3 PRO 77 2HG PRO 77 8.013 8.940 -5.393 589 HD2 PRO 77 1HD PRO 77 5.927 9.627 -3.830 590 HD3 PRO 77 2HD PRO 77 6.767 10.849 -4.847 591 H GLU 78 H GLU 78 4.513 7.687 -5.292 592 HA GLU 78 HA GLU 78 3.102 5.908 -7.237 593 HB2 GLU 78 1HB GLU 78 4.326 5.340 -4.511 594 HB3 GLU 78 2HB GLU 78 3.532 4.141 -5.542 595 HG2 GLU 78 1HG GLU 78 5.257 4.401 -7.244 596 HG3 GLU 78 2HG GLU 78 6.030 5.692 -6.307 597 H ALA 79 H ALA 79 2.013 8.353 -6.003 598 HA ALA 79 HA ALA 79 0.482 7.669 -3.702 599 HB1 ALA 79 1HB ALA 79 -0.804 9.749 -4.227 600 HB2 ALA 79 2HB ALA 79 0.003 9.831 -5.812 601 HB3 ALA 79 3HB ALA 79 0.949 9.998 -4.324 602 H GLY 80 H GLY 80 -0.409 7.841 -7.170 603 HA2 GLY 80 1HA GLY 80 -2.142 6.886 -8.344 604 HA3 GLY 80 2HA GLY 80 -2.104 5.591 -7.136 605 H LEU 81 H LEU 81 -2.793 8.920 -6.207 606 HA LEU 81 HA LEU 81 -5.497 8.013 -5.439 607 HB2 LEU 81 1HB LEU 81 -3.475 9.902 -4.261 608 HB3 LEU 81 2HB LEU 81 -5.165 10.059 -3.885 609 HG LEU 81 HG LEU 81 -3.477 7.648 -3.254 610 HD11 LEU 81 1HD1 LEU 81 -4.623 9.860 -1.506 611 HD12 LEU 81 2HD1 LEU 81 -2.911 9.647 -1.937 612 HD13 LEU 81 3HD1 LEU 81 -3.728 8.447 -0.924 613 HD21 LEU 81 1HD2 LEU 81 -5.400 6.867 -1.948 614 HD22 LEU 81 2HD2 LEU 81 -5.839 7.029 -3.662 615 HD23 LEU 81 3HD2 LEU 81 -6.349 8.264 -2.483 616 HA PRO 82 HA PRO 82 -6.929 11.471 -7.988 617 HB2 PRO 82 1HB PRO 82 -9.387 10.410 -8.484 618 HB3 PRO 82 2HB PRO 82 -7.938 9.866 -9.393 619 HG2 PRO 82 1HG PRO 82 -9.313 8.585 -7.054 620 HG3 PRO 82 2HG PRO 82 -8.682 7.834 -8.540 621 HD2 PRO 82 1HD PRO 82 -7.369 7.816 -6.183 622 HD3 PRO 82 2HD PRO 82 -6.560 7.728 -7.767 623 H TYR 83 H TYR 83 -8.817 12.935 -7.417 624 HA TYR 83 HA TYR 83 -8.945 13.330 -4.603 625 HB2 TYR 83 1HB TYR 83 -9.303 15.062 -6.365 626 HB3 TYR 83 2HB TYR 83 -10.866 14.327 -6.725 627 HD1 TYR 83 HD1 TYR 83 -12.762 14.594 -5.168 628 HD2 TYR 83 HD2 TYR 83 -8.910 16.280 -4.261 629 HE1 TYR 83 HE1 TYR 83 -13.776 15.943 -3.332 630 HE2 TYR 83 HE2 TYR 83 -9.931 17.632 -2.446 631 HH TYR 83 HH TYR 83 -13.409 17.421 -1.641 632 H GLY 84 H GLY 84 -10.265 12.568 -3.053 633 HA2 GLY 84 1HA GLY 84 -12.282 11.767 -2.170 634 HA3 GLY 84 2HA GLY 84 -12.858 11.383 -3.792 635 H ALA 85 H ALA 85 -9.871 10.027 -3.858 636 HA ALA 85 HA ALA 85 -10.906 7.381 -3.533 637 HB1 ALA 85 1HB ALA 85 -8.436 6.753 -3.620 638 HB2 ALA 85 2HB ALA 85 -8.111 8.498 -3.786 639 HB3 ALA 85 3HB ALA 85 -9.097 7.654 -4.997 640 H ASN 86 H ASN 86 -11.017 6.013 -1.879 641 HA ASN 86 HA ASN 86 -10.586 7.053 0.799 642 HB2 ASN 86 1HB ASN 86 -12.489 5.540 -0.006 643 HB3 ASN 86 2HB ASN 86 -11.317 4.212 -0.011 644 HD21 ASN 86 1HD2 ASN 86 -13.275 4.663 3.258 645 HD22 ASN 86 2HD2 ASN 86 -13.794 4.826 1.598 646 H LYS 87 H LYS 87 -8.851 6.795 2.078 647 HA LYS 87 HA LYS 87 -7.160 4.415 1.898 648 HB2 LYS 87 1HB LYS 87 -6.196 5.924 0.168 649 HB3 LYS 87 2HB LYS 87 -6.027 7.181 1.364 650 HG2 LYS 87 1HG LYS 87 -4.222 6.190 2.416 651 HG3 LYS 87 2HG LYS 87 -4.717 4.541 1.958 652 HD2 LYS 87 1HD LYS 87 -3.690 6.572 -0.010 653 HD3 LYS 87 2HD LYS 87 -2.631 5.440 0.828 654 HE2 LYS 87 1HE LYS 87 -3.873 3.529 -0.157 655 HE3 LYS 87 2HE LYS 87 -4.976 4.647 -0.977 656 HZ1 LYS 87 1HZ LYS 87 -3.261 3.854 -2.483 657 HZ2 LYS 87 2HZ LYS 87 -2.058 4.426 -1.514 658 HZ3 LYS 87 3HZ LYS 87 -3.082 5.478 -2.269 659 H ASP 88 H ASP 88 -5.910 4.241 3.850 660 HA ASP 88 HA ASP 88 -7.208 5.394 6.131 661 HB2 ASP 88 1HB ASP 88 -6.007 3.219 6.210 662 HB3 ASP 88 2HB ASP 88 -4.474 4.075 5.956 663 H GLY 89 H GLY 89 -6.812 7.189 7.274 664 HA2 GLY 89 1HA GLY 89 -5.724 9.068 8.039 665 HA3 GLY 89 2HA GLY 89 -4.221 8.402 7.391 666 H ILE 90 H ILE 90 -6.946 8.891 5.226 667 HA ILE 90 HA ILE 90 -5.638 11.382 4.212 668 HB ILE 90 HB ILE 90 -6.875 9.130 2.532 669 HG12 ILE 90 1HG1 ILE 90 -4.628 8.570 3.381 670 HG13 ILE 90 2HG1 ILE 90 -4.668 8.758 1.634 671 HG21 ILE 90 1HG2 ILE 90 -5.994 10.561 0.583 672 HG22 ILE 90 2HG2 ILE 90 -5.759 11.880 1.759 673 HG23 ILE 90 3HG2 ILE 90 -7.385 11.234 1.450 674 HD11 ILE 90 1HD1 ILE 90 -2.671 9.681 2.809 675 HD12 ILE 90 2HD1 ILE 90 -3.729 10.973 3.441 676 HD13 ILE 90 3HD1 ILE 90 -3.501 10.779 1.686 677 H ILE 91 H ILE 91 -6.924 13.051 4.126 678 HA ILE 91 HA ILE 91 -9.854 12.575 3.741 679 HB ILE 91 HB ILE 91 -10.315 14.550 5.240 680 HG12 ILE 91 1HG1 ILE 91 -7.883 14.208 6.838 681 HG13 ILE 91 2HG1 ILE 91 -7.522 14.813 5.245 682 HG21 ILE 91 1HG2 ILE 91 -10.666 12.189 5.980 683 HG22 ILE 91 2HG2 ILE 91 -10.243 13.274 7.322 684 HG23 ILE 91 3HG2 ILE 91 -9.020 12.170 6.649 685 HD11 ILE 91 1HD1 ILE 91 -7.915 16.636 6.843 686 HD12 ILE 91 2HD1 ILE 91 -9.578 16.061 7.080 687 HD13 ILE 91 3HD1 ILE 91 -9.047 16.662 5.483 688 H TRP 92 H TRP 92 -10.491 13.475 1.925 689 HA TRP 92 HA TRP 92 -8.798 15.444 0.598 690 HB2 TRP 92 1HB TRP 92 -11.427 14.137 -0.163 691 HB3 TRP 92 2HB TRP 92 -10.467 15.183 -1.213 692 HD1 TRP 92 HD1 TRP 92 -10.588 11.658 0.149 693 HE1 TRP 92 HE1 TRP 92 -8.804 10.201 -0.914 694 HE3 TRP 92 HE3 TRP 92 -8.031 15.376 -2.263 695 HZ2 TRP 92 HZ2 TRP 92 -6.526 10.605 -2.553 696 HZ3 TRP 92 HZ3 TRP 92 -6.005 14.759 -3.588 697 HH2 TRP 92 HH2 TRP 92 -5.268 12.380 -3.737 698 H VAL 93 H VAL 93 -9.150 17.569 0.260 699 HA VAL 93 HA VAL 93 -11.759 18.725 1.103 700 HB VAL 93 HB VAL 93 -10.509 20.636 2.197 701 HG11 VAL 93 1HG1 VAL 93 -10.129 19.489 4.320 702 HG12 VAL 93 2HG1 VAL 93 -10.089 17.915 3.494 703 HG13 VAL 93 3HG1 VAL 93 -11.592 18.868 3.530 704 HG21 VAL 93 1HG2 VAL 93 -8.213 20.343 2.925 705 HG22 VAL 93 2HG2 VAL 93 -8.264 20.148 1.162 706 HG23 VAL 93 3HG2 VAL 93 -8.138 18.719 2.212 707 H ALA 94 H ALA 94 -12.281 20.680 0.096 708 HA ALA 94 HA ALA 94 -10.487 21.907 -1.852 709 HB1 ALA 94 1HB ALA 94 -11.968 21.510 -3.791 710 HB2 ALA 94 2HB ALA 94 -13.046 20.506 -2.793 711 HB3 ALA 94 3HB ALA 94 -11.397 19.949 -3.161 712 H THR 95 H THR 95 -11.749 23.822 -2.764 713 HA THR 95 HA THR 95 -14.013 24.624 -1.001 714 HB THR 95 HB THR 95 -11.834 25.713 -0.240 715 HG1 THR 95 HG1 THR 95 -12.789 27.839 -0.297 716 HG21 THR 95 1HG2 THR 95 -10.817 27.428 -1.596 717 HG22 THR 95 2HG2 THR 95 -12.027 27.219 -2.880 718 HG23 THR 95 3HG2 THR 95 -10.842 25.934 -2.550 719 H GLU 96 H GLU 96 -14.899 26.811 -2.211 720 HA GLU 96 HA GLU 96 -15.811 25.829 -4.749 721 HB2 GLU 96 1HB GLU 96 -17.072 27.328 -3.191 722 HB3 GLU 96 2HB GLU 96 -15.987 28.651 -3.637 723 HG2 GLU 96 1HG GLU 96 -16.746 28.568 -5.937 724 HG3 GLU 96 2HG GLU 96 -17.682 27.098 -5.616 725 H GLY 97 H GLY 97 -15.113 26.208 -6.771 726 HA2 GLY 97 1HA GLY 97 -14.038 27.395 -8.495 727 HA3 GLY 97 2HA GLY 97 -13.162 28.355 -7.295 728 H ALA 98 H ALA 98 -12.685 25.473 -6.022 729 HA ALA 98 HA ALA 98 -10.030 25.229 -7.081 730 HB1 ALA 98 1HB ALA 98 -9.787 23.453 -5.536 731 HB2 ALA 98 2HB ALA 98 -11.547 23.208 -5.430 732 HB3 ALA 98 3HB ALA 98 -10.801 24.676 -4.753 733 H LEU 99 H LEU 99 -9.236 23.990 -8.739 734 HA LEU 99 HA LEU 99 -11.221 22.486 -10.334 735 HB2 LEU 99 1HB LEU 99 -8.379 23.382 -10.789 736 HB3 LEU 99 2HB LEU 99 -9.121 22.173 -11.820 737 HG LEU 99 HG LEU 99 -10.120 25.017 -11.489 738 HD11 LEU 99 1HD1 LEU 99 -9.249 25.265 -13.790 739 HD12 LEU 99 2HD1 LEU 99 -8.633 23.593 -13.735 740 HD13 LEU 99 3HD1 LEU 99 -7.958 24.835 -12.649 741 HD21 LEU 99 1HD2 LEU 99 -11.038 22.745 -13.304 742 HD22 LEU 99 2HD2 LEU 99 -11.524 24.447 -13.481 743 HD23 LEU 99 3HD2 LEU 99 -11.987 23.549 -12.026 744 H ASN 100 H ASN 100 -11.194 20.379 -10.772 745 HA ASN 100 HA ASN 100 -9.708 18.669 -8.907 746 HB2 ASN 100 1HB ASN 100 -12.124 18.298 -9.413 747 HB3 ASN 100 2HB ASN 100 -11.689 17.921 -11.087 748 HD21 ASN 100 1HD2 ASN 100 -11.581 14.576 -10.122 749 HD22 ASN 100 2HD2 ASN 100 -12.318 15.811 -11.111 750 H THR 101 H THR 101 -7.633 19.435 -9.941 751 HA THR 101 HA THR 101 -6.873 17.420 -11.986 752 HB THR 101 HB THR 101 -7.387 19.852 -12.961 753 HG1 THR 101 HG1 THR 101 -5.704 19.499 -14.477 754 HG21 THR 101 1HG2 THR 101 -5.469 21.325 -12.996 755 HG22 THR 101 2HG2 THR 101 -4.517 20.176 -12.017 756 HG23 THR 101 3HG2 THR 101 -5.930 21.020 -11.309 757 HA PRO 102 HA PRO 102 -3.524 17.075 -9.114 758 HB2 PRO 102 1HB PRO 102 -1.403 16.449 -10.721 759 HB3 PRO 102 2HB PRO 102 -2.695 15.266 -10.321 760 HG2 PRO 102 1HG PRO 102 -2.360 17.007 -12.754 761 HG3 PRO 102 2HG PRO 102 -2.723 15.252 -12.661 762 HD2 PRO 102 1HD PRO 102 -4.662 17.052 -13.057 763 HD3 PRO 102 2HD PRO 102 -4.929 15.634 -11.991 764 H LYS 103 H LYS 103 -1.746 18.180 -8.246 765 HA LYS 103 HA LYS 103 -0.365 20.179 -9.888 766 HB2 LYS 103 1HB LYS 103 -0.869 22.007 -8.180 767 HB3 LYS 103 2HB LYS 103 -2.056 21.623 -9.400 768 HG2 LYS 103 1HG LYS 103 -3.093 20.081 -7.479 769 HG3 LYS 103 2HG LYS 103 -2.165 21.157 -6.438 770 HD2 LYS 103 1HD LYS 103 -4.345 22.101 -6.648 771 HD3 LYS 103 2HD LYS 103 -3.234 23.083 -7.600 772 HE2 LYS 103 1HE LYS 103 -4.025 21.506 -9.603 773 HE3 LYS 103 2HE LYS 103 -5.417 21.220 -8.559 774 HZ1 LYS 103 1HZ LYS 103 -4.512 23.945 -9.339 775 HZ2 LYS 103 2HZ LYS 103 -5.950 23.532 -8.636 776 HZ3 LYS 103 3HZ LYS 103 -5.641 23.100 -10.195 777 H ASP 104 H ASP 104 0.771 18.086 -9.115 778 HA ASP 104 HA ASP 104 1.955 17.908 -6.559 779 HB2 ASP 104 1HB ASP 104 3.607 16.511 -7.680 780 HB3 ASP 104 2HB ASP 104 2.007 16.167 -8.358 781 H HIS 105 H HIS 105 2.696 19.853 -9.378 782 HA HIS 105 HA HIS 105 5.328 20.651 -8.782 783 HB2 HIS 105 1HB HIS 105 4.970 22.455 -10.337 784 HB3 HIS 105 2HB HIS 105 4.141 21.016 -10.944 785 HD1 HIS 105 HD1 HIS 105 1.550 21.131 -11.203 786 HD2 HIS 105 HD2 HIS 105 3.233 24.553 -9.450 787 HE1 HIS 105 HE1 HIS 105 -0.298 22.897 -11.075 788 H ILE 106 H ILE 106 2.448 21.590 -7.074 789 HA ILE 106 HA ILE 106 3.590 24.143 -6.184 790 HB ILE 106 HB ILE 106 1.185 22.554 -5.125 791 HG12 ILE 106 1HG1 ILE 106 1.352 24.958 -6.988 792 HG13 ILE 106 2HG1 ILE 106 1.013 23.300 -7.490 793 HG21 ILE 106 1HG2 ILE 106 2.094 24.148 -3.416 794 HG22 ILE 106 2HG2 ILE 106 0.554 24.738 -4.039 795 HG23 ILE 106 3HG2 ILE 106 2.070 25.465 -4.611 796 HD11 ILE 106 1HD1 ILE 106 -1.049 24.357 -7.416 797 HD12 ILE 106 2HD1 ILE 106 -0.709 25.130 -5.853 798 HD13 ILE 106 3HD1 ILE 106 -0.988 23.372 -5.938 799 H GLY 107 H GLY 107 3.474 20.764 -5.139 800 HA2 GLY 107 1HA GLY 107 4.327 21.351 -2.434 801 HA3 GLY 107 2HA GLY 107 4.201 19.765 -3.192 802 H THR 108 H THR 108 6.197 21.912 -4.993 803 HA THR 108 HA THR 108 8.532 20.287 -4.299 804 HB THR 108 HB THR 108 7.990 20.910 -6.667 805 HG1 THR 108 HG1 THR 108 10.442 21.906 -5.615 806 HG21 THR 108 1HG2 THR 108 8.988 23.704 -5.991 807 HG22 THR 108 2HG2 THR 108 7.257 23.312 -6.100 808 HG23 THR 108 3HG2 THR 108 8.303 23.114 -7.519 809 H ARG 109 H ARG 109 7.413 22.194 -2.286 810 HA ARG 109 HA ARG 109 9.068 24.498 -2.050 811 HB2 ARG 109 1HB ARG 109 6.906 24.017 -0.844 812 HB3 ARG 109 2HB ARG 109 7.783 22.860 0.162 813 HG2 ARG 109 1HG ARG 109 9.269 24.732 0.918 814 HG3 ARG 109 2HG ARG 109 8.242 25.846 -0.012 815 HD2 ARG 109 1HD ARG 109 7.384 25.931 2.180 816 HD3 ARG 109 2HD ARG 109 6.290 24.907 1.274 817 HE ARG 109 HE ARG 109 6.830 23.102 2.593 818 HH11 ARG 109 1HH1 ARG 109 9.235 25.625 3.226 819 HH12 ARG 109 2HH1 ARG 109 9.934 24.735 4.553 820 HH21 ARG 109 1HH2 ARG 109 7.709 22.093 4.307 821 HH22 ARG 109 2HH2 ARG 109 9.081 22.765 5.158 822 H ASN 110 H ASN 110 11.167 24.720 -1.520 823 HA ASN 110 HA ASN 110 12.660 22.355 -0.582 824 HB2 ASN 110 1HB ASN 110 13.475 25.170 -1.396 825 HB3 ASN 110 2HB ASN 110 14.608 23.989 -0.728 826 HD21 ASN 110 1HD2 ASN 110 15.157 22.427 -3.759 827 HD22 ASN 110 2HD2 ASN 110 15.636 22.698 -2.104 828 HA PRO 111 HA PRO 111 11.818 24.142 3.439 829 HB2 PRO 111 1HB PRO 111 12.867 22.229 5.053 830 HB3 PRO 111 2HB PRO 111 11.340 21.973 4.147 831 HG2 PRO 111 1HG PRO 111 14.134 21.122 3.413 832 HG3 PRO 111 2HG PRO 111 12.634 20.141 3.462 833 HD2 PRO 111 1HD PRO 111 13.566 21.210 1.156 834 HD3 PRO 111 2HD PRO 111 11.807 21.099 1.492 835 H ALA 112 H ALA 112 14.914 23.492 2.082 836 HA ALA 112 HA ALA 112 16.446 24.632 4.300 837 HB1 ALA 112 1HB ALA 112 17.421 22.918 2.782 838 HB2 ALA 112 2HB ALA 112 18.338 24.443 2.734 839 HB3 ALA 112 3HB ALA 112 17.226 24.039 1.407 840 H ASN 113 H ASN 113 14.720 25.730 1.494 841 HA ASN 113 HA ASN 113 16.172 28.322 1.462 842 HB2 ASN 113 1HB ASN 113 14.141 27.101 -0.446 843 HB3 ASN 113 2HB ASN 113 14.891 28.682 -0.655 844 HD21 ASN 113 1HD2 ASN 113 16.714 26.052 -2.613 845 HD22 ASN 113 2HD2 ASN 113 15.026 26.478 -2.470 846 H ASN 114 H ASN 114 12.982 26.925 2.185 847 HA ASN 114 HA ASN 114 12.075 29.620 2.992 848 HB2 ASN 114 1HB ASN 114 10.797 29.304 1.089 849 HB3 ASN 114 2HB ASN 114 10.916 27.546 1.206 850 HD21 ASN 114 1HD2 ASN 114 7.980 29.465 3.116 851 HD22 ASN 114 2HD2 ASN 114 9.324 30.289 2.340 852 H ALA 115 H ALA 115 10.685 29.675 4.704 853 HA ALA 115 HA ALA 115 10.711 27.330 6.515 854 HB1 ALA 115 1HB ALA 115 11.445 29.522 7.430 855 HB2 ALA 115 2HB ALA 115 9.960 28.953 8.228 856 HB3 ALA 115 3HB ALA 115 9.868 30.228 6.993 857 H ALA 116 H ALA 116 8.862 26.277 7.079 858 HA ALA 116 HA ALA 116 6.611 26.362 5.344 859 HB1 ALA 116 1HB ALA 116 5.624 24.708 6.871 860 HB2 ALA 116 2HB ALA 116 6.843 25.091 8.110 861 HB3 ALA 116 3HB ALA 116 7.334 24.323 6.580 862 H ILE 117 H ILE 117 4.522 27.018 5.636 863 HA ILE 117 HA ILE 117 4.201 29.453 7.225 864 HB ILE 117 HB ILE 117 2.257 27.915 5.453 865 HG12 ILE 117 1HG1 ILE 117 3.624 30.468 4.634 866 HG13 ILE 117 2HG1 ILE 117 4.477 28.940 4.461 867 HG21 ILE 117 1HG2 ILE 117 2.150 30.786 6.498 868 HG22 ILE 117 2HG2 ILE 117 1.056 29.459 6.951 869 HG23 ILE 117 3HG2 ILE 117 1.028 30.096 5.303 870 HD11 ILE 117 1HD1 ILE 117 2.674 28.034 3.083 871 HD12 ILE 117 2HD1 ILE 117 3.355 29.529 2.392 872 HD13 ILE 117 3HD1 ILE 117 1.791 29.573 3.235 873 H VAL 118 H VAL 118 3.099 29.589 9.198 874 HA VAL 118 HA VAL 118 2.254 27.250 10.658 875 HB VAL 118 HB VAL 118 1.441 30.201 10.914 876 HG11 VAL 118 1HG1 VAL 118 0.702 29.587 13.212 877 HG12 VAL 118 2HG1 VAL 118 0.948 27.873 12.810 878 HG13 VAL 118 3HG1 VAL 118 -0.283 28.825 11.947 879 HG21 VAL 118 1HG2 VAL 118 3.023 30.182 12.843 880 HG22 VAL 118 2HG2 VAL 118 3.838 29.827 11.306 881 HG23 VAL 118 3HG2 VAL 118 3.469 28.508 12.442 882 H LEU 119 H LEU 119 0.496 26.012 10.290 883 HA LEU 119 HA LEU 119 -1.240 26.609 8.098 884 HB2 LEU 119 1HB LEU 119 -0.538 24.358 9.036 885 HB3 LEU 119 2HB LEU 119 -1.747 24.579 10.291 886 HG LEU 119 HG LEU 119 -2.536 24.745 7.368 887 HD11 LEU 119 1HD1 LEU 119 -2.895 22.333 7.344 888 HD12 LEU 119 2HD1 LEU 119 -2.210 22.191 8.982 889 HD13 LEU 119 3HD1 LEU 119 -1.186 22.700 7.631 890 HD21 LEU 119 1HD2 LEU 119 -4.636 23.642 8.371 891 HD22 LEU 119 2HD2 LEU 119 -4.324 25.315 8.861 892 HD23 LEU 119 3HD2 LEU 119 -3.933 23.987 9.966 893 H GLN 120 H GLN 120 -3.051 27.698 7.963 894 HA GLN 120 HA GLN 120 -4.591 28.425 10.423 895 HB2 GLN 120 1HB GLN 120 -3.740 30.198 8.115 896 HB3 GLN 120 2HB GLN 120 -4.941 30.657 9.328 897 HG2 GLN 120 1HG GLN 120 -3.357 30.870 11.008 898 HG3 GLN 120 2HG GLN 120 -2.189 29.847 10.174 899 HE21 GLN 120 1HE2 GLN 120 -0.745 32.419 8.311 900 HE22 GLN 120 2HE2 GLN 120 -0.850 30.694 8.608 901 H LEU 121 H LEU 121 -6.841 29.011 9.801 902 HA LEU 121 HA LEU 121 -7.646 27.679 7.245 903 HB2 LEU 121 1HB LEU 121 -8.880 27.689 9.991 904 HB3 LEU 121 2HB LEU 121 -9.906 27.536 8.573 905 HG LEU 121 HG LEU 121 -7.647 25.628 9.243 906 HD11 LEU 121 1HD1 LEU 121 -9.530 24.108 9.847 907 HD12 LEU 121 2HD1 LEU 121 -10.649 25.472 9.659 908 HD13 LEU 121 3HD1 LEU 121 -9.393 25.525 10.907 909 HD21 LEU 121 1HD2 LEU 121 -8.809 24.150 7.586 910 HD22 LEU 121 2HD2 LEU 121 -8.159 25.620 6.845 911 HD23 LEU 121 3HD2 LEU 121 -9.890 25.500 7.181 912 HA PRO 122 HA PRO 122 -9.167 31.640 6.202 913 HB2 PRO 122 1HB PRO 122 -11.045 31.072 4.324 914 HB3 PRO 122 2HB PRO 122 -9.292 30.737 4.055 915 HG2 PRO 122 1HG PRO 122 -11.459 28.878 5.005 916 HG3 PRO 122 2HG PRO 122 -10.304 28.657 3.652 917 HD2 PRO 122 1HD PRO 122 -9.846 27.597 6.072 918 HD3 PRO 122 2HD PRO 122 -8.508 28.282 5.084 919 H GLN 123 H GLN 123 -11.211 32.952 5.892 920 HA GLN 123 HA GLN 123 -12.691 33.031 8.273 921 HB2 GLN 123 1HB GLN 123 -12.388 34.878 6.595 922 HB3 GLN 123 2HB GLN 123 -13.519 34.044 5.524 923 HG2 GLN 123 1HG GLN 123 -15.318 34.321 7.173 924 HG3 GLN 123 2HG GLN 123 -14.187 35.102 8.292 925 HE21 GLN 123 1HE2 GLN 123 -15.132 38.195 7.008 926 HE22 GLN 123 2HE2 GLN 123 -14.911 37.158 8.396 927 H GLY 124 H GLY 124 -14.488 32.056 9.009 928 HA2 GLY 124 1HA GLY 124 -16.558 30.972 8.877 929 HA3 GLY 124 2HA GLY 124 -16.327 30.734 7.141 930 H THR 125 H THR 125 -13.456 29.643 8.034 931 HA THR 125 HA THR 125 -14.544 26.904 8.537 932 HB THR 125 HB THR 125 -11.835 27.619 7.364 933 HG1 THR 125 HG1 THR 125 -13.623 28.373 6.073 934 HG21 THR 125 1HG2 THR 125 -13.519 25.103 7.144 935 HG22 THR 125 2HG2 THR 125 -12.186 25.293 8.290 936 HG23 THR 125 3HG2 THR 125 -11.878 25.351 6.547 937 H THR 126 H THR 126 -14.112 25.933 10.400 938 HA THR 126 HA THR 126 -11.894 26.997 12.088 939 HB THR 126 HB THR 126 -13.402 26.223 14.026 940 HG1 THR 126 HG1 THR 126 -15.652 26.278 13.434 941 HG21 THR 126 1HG2 THR 126 -14.368 28.540 12.314 942 HG22 THR 126 2HG2 THR 126 -12.982 28.595 13.432 943 HG23 THR 126 3HG2 THR 126 -14.624 28.328 14.062 944 H LEU 127 H LEU 127 -10.763 25.538 13.342 945 HA LEU 127 HA LEU 127 -10.487 22.885 12.248 946 HB2 LEU 127 1HB LEU 127 -9.555 24.042 14.880 947 HB3 LEU 127 2HB LEU 127 -9.087 22.471 14.298 948 HG LEU 127 HG LEU 127 -8.392 25.045 12.862 949 HD11 LEU 127 1HD1 LEU 127 -6.141 24.741 13.801 950 HD12 LEU 127 2HD1 LEU 127 -6.719 23.344 14.742 951 HD13 LEU 127 3HD1 LEU 127 -7.346 24.973 15.086 952 HD21 LEU 127 1HD2 LEU 127 -6.795 23.640 11.654 953 HD22 LEU 127 2HD2 LEU 127 -8.423 22.975 11.466 954 HD23 LEU 127 3HD2 LEU 127 -7.287 22.213 12.598 955 HA PRO 128 HA PRO 128 -13.680 21.015 14.564 956 HB2 PRO 128 1HB PRO 128 -12.920 18.408 14.753 957 HB3 PRO 128 2HB PRO 128 -13.347 19.162 13.185 958 HG2 PRO 128 1HG PRO 128 -10.655 18.658 14.380 959 HG3 PRO 128 2HG PRO 128 -11.238 18.346 12.719 960 HD2 PRO 128 1HD PRO 128 -9.772 20.554 13.443 961 HD3 PRO 128 2HD PRO 128 -10.944 20.578 12.099 962 H LYS 129 H LYS 129 -14.148 19.761 16.605 963 HA LYS 129 HA LYS 129 -12.775 20.937 18.803 964 HB2 LYS 129 1HB LYS 129 -15.114 20.015 18.833 965 HB3 LYS 129 2HB LYS 129 -14.426 18.386 18.795 966 HG2 LYS 129 1HG LYS 129 -13.283 18.824 20.945 967 HG3 LYS 129 2HG LYS 129 -13.993 20.454 20.981 968 HD2 LYS 129 1HD LYS 129 -16.248 19.457 20.946 969 HD3 LYS 129 2HD LYS 129 -15.526 17.838 20.904 970 HE2 LYS 129 1HE LYS 129 -16.166 18.255 23.176 971 HE3 LYS 129 2HE LYS 129 -14.397 18.352 23.100 972 HZ1 LYS 129 1HZ LYS 129 -15.335 20.164 24.397 973 HZ2 LYS 129 2HZ LYS 129 -16.247 20.674 23.121 974 HZ3 LYS 129 3HZ LYS 129 -14.602 20.772 23.050 975 H GLY 130 H GLY 130 -10.889 20.421 19.741 976 HA2 GLY 130 1HA GLY 130 -9.285 18.958 20.629 977 HA3 GLY 130 2HA GLY 130 -9.991 17.631 19.711 978 H PHE 131 H PHE 131 -8.992 20.685 18.162 979 HA PHE 131 HA PHE 131 -6.476 19.373 17.295 980 HB2 PHE 131 1HB PHE 131 -8.825 19.933 15.630 981 HB3 PHE 131 2HB PHE 131 -7.357 20.709 15.030 982 HD1 PHE 131 HD1 PHE 131 -5.404 19.388 14.363 983 HD2 PHE 131 HD2 PHE 131 -9.057 17.508 15.625 984 HE1 PHE 131 HE1 PHE 131 -4.625 17.233 13.386 985 HE2 PHE 131 HE2 PHE 131 -8.287 15.351 14.652 986 HZ PHE 131 HZ PHE 131 -6.070 15.219 13.534 987 H TYR 132 H TYR 132 -4.830 20.758 16.725 988 HA TYR 132 HA TYR 132 -5.361 23.648 16.595 989 HB2 TYR 132 1HB TYR 132 -3.743 24.267 18.273 990 HB3 TYR 132 2HB TYR 132 -4.985 23.260 19.015 991 HD1 TYR 132 HD1 TYR 132 -4.431 20.853 19.648 992 HD2 TYR 132 HD2 TYR 132 -1.418 23.596 18.239 993 HE1 TYR 132 HE1 TYR 132 -2.650 19.408 20.617 994 HE2 TYR 132 HE2 TYR 132 0.351 22.135 19.211 995 HH TYR 132 HH TYR 132 -0.413 19.146 21.000 996 H ALA 133 H ALA 133 -3.273 24.771 15.891 997 HA ALA 133 HA ALA 133 -1.833 22.918 14.056 998 HB1 ALA 133 1HB ALA 133 -3.143 24.666 12.922 999 HB2 ALA 133 2HB ALA 133 -1.403 24.941 12.692 1000 HB3 ALA 133 3HB ALA 133 -2.313 25.916 13.860 1001 H GLU 134 H GLU 134 0.366 23.097 13.754 1002 HA GLU 134 HA GLU 134 1.888 23.711 16.153 1003 HB2 GLU 134 1HB GLU 134 2.481 21.881 14.639 1004 HB3 GLU 134 2HB GLU 134 2.631 23.001 13.307 1005 HG2 GLU 134 1HG GLU 134 4.813 22.927 13.723 1006 HG3 GLU 134 2HG GLU 134 4.462 24.039 15.053 1007 H GLY 135 H GLY 135 2.918 25.585 16.672 1008 HA2 GLY 135 1HA GLY 135 3.949 27.647 16.344 1009 HA3 GLY 135 2HA GLY 135 3.654 27.514 14.603 1010 H SER 136 H SER 136 0.779 26.851 16.129 1011 HA SER 136 HA SER 136 -0.129 29.689 15.833 1012 HB2 SER 136 1HB SER 136 -1.075 27.813 14.337 1013 HB3 SER 136 2HB SER 136 -1.873 27.212 15.802 1014 HG SER 136 HG SER 136 -2.493 29.339 14.204 1015 H ARG 137 H ARG 137 -2.419 29.701 17.150 1016 HA ARG 137 HA ARG 137 -3.399 29.928 19.209 1017 HB2 ARG 137 1HB ARG 137 -3.103 27.353 18.978 1018 HB3 ARG 137 2HB ARG 137 -1.845 27.536 20.201 1019 HG2 ARG 137 1HG ARG 137 -3.420 27.385 21.762 1020 HG3 ARG 137 2HG ARG 137 -4.078 28.937 21.210 1021 HD2 ARG 137 1HD ARG 137 -5.495 27.782 19.585 1022 HD3 ARG 137 2HD ARG 137 -4.815 26.218 20.074 1023 HE ARG 137 HE ARG 137 -6.776 27.850 21.527 1024 HH11 ARG 137 1HH1 ARG 137 -4.531 25.129 21.777 1025 HH12 ARG 137 2HH1 ARG 137 -5.332 24.480 23.181 1026 HH21 ARG 137 1HH2 ARG 137 -7.733 26.965 23.323 1027 HH22 ARG 137 2HH2 ARG 137 -7.110 25.505 24.039 1028 H GLY 138 H GLY 138 -0.708 31.157 18.706 1029 HA2 GLY 138 1HA GLY 138 0.717 31.178 21.202 1030 HA3 GLY 138 2HA GLY 138 0.885 32.337 19.875 1031 H GLY 139 H GLY 139 -2.041 32.890 20.010 1032 HA2 GLY 139 1HA GLY 139 -3.558 33.922 21.586 1033 HA3 GLY 139 2HA GLY 139 -2.169 34.443 22.554 1034 H SER 140 H SER 140 -0.533 35.437 20.542 1035 HA SER 140 HA SER 140 -0.055 37.366 19.421 1036 HB2 SER 140 1HB SER 140 -2.891 37.082 18.375 1037 HB3 SER 140 2HB SER 140 -1.609 38.085 17.665 1038 HG SER 140 HG SER 140 -0.412 36.202 17.291 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 3.268 1.367 10.032 2 H2 GLY 1 2H GLY 1 2.990 2.199 8.635 3 H3 GLY 1 3H GLY 1 3.950 2.853 9.805 4 HA2 GLY 1 1HA GLY 1 5.582 1.111 9.513 5 HA3 GLY 1 2HA GLY 1 4.555 0.439 8.234 6 H ALA 2 H ALA 2 6.151 0.670 6.655 7 HA ALA 2 HA ALA 2 7.219 1.605 4.946 8 HB1 ALA 2 1HB ALA 2 4.959 2.518 4.540 9 HB2 ALA 2 2HB ALA 2 6.259 3.523 3.862 10 HB3 ALA 2 3HB ALA 2 5.441 4.022 5.362 11 H MET 3 H MET 3 8.758 3.007 4.114 12 HA MET 3 HA MET 3 10.506 4.119 6.192 13 HB2 MET 3 1HB MET 3 10.792 3.744 3.183 14 HB3 MET 3 2HB MET 3 12.035 4.467 4.209 15 HG2 MET 3 1HG MET 3 12.671 2.209 3.894 16 HG3 MET 3 2HG MET 3 12.071 2.326 5.552 17 HE1 MET 3 1HE MET 3 11.108 -1.357 4.294 18 HE2 MET 3 2HE MET 3 12.065 -0.428 5.473 19 HE3 MET 3 3HE MET 3 12.520 -0.422 3.751 20 H GLY 4 H GLY 4 9.331 5.952 6.868 21 HA2 GLY 4 1HA GLY 4 8.565 7.991 4.920 22 HA3 GLY 4 2HA GLY 4 8.393 8.077 6.677 23 H LEU 5 H LEU 5 11.059 7.915 4.261 24 HA LEU 5 HA LEU 5 12.715 9.650 5.982 25 HB2 LEU 5 1HB LEU 5 13.190 8.413 3.244 26 HB3 LEU 5 2HB LEU 5 14.387 9.337 4.145 27 HG LEU 5 HG LEU 5 13.175 6.711 5.082 28 HD11 LEU 5 1HD1 LEU 5 15.362 5.743 4.492 29 HD12 LEU 5 2HD1 LEU 5 15.892 7.316 3.848 30 HD13 LEU 5 3HD1 LEU 5 14.559 6.432 3.066 31 HD21 LEU 5 1HD2 LEU 5 15.071 6.740 6.709 32 HD22 LEU 5 2HD2 LEU 5 13.934 8.075 6.972 33 HD23 LEU 5 3HD2 LEU 5 15.491 8.379 6.163 34 HA PRO 6 HA PRO 6 11.479 13.267 3.800 35 HB2 PRO 6 1HB PRO 6 13.584 14.963 4.100 36 HB3 PRO 6 2HB PRO 6 12.573 14.463 5.496 37 HG2 PRO 6 1HG PRO 6 15.208 13.334 4.567 38 HG3 PRO 6 2HG PRO 6 14.738 13.887 6.206 39 HD2 PRO 6 1HD PRO 6 14.651 11.272 5.493 40 HD3 PRO 6 2HD PRO 6 13.423 11.988 6.596 41 H ASN 7 H ASN 7 11.767 14.425 1.798 42 HA ASN 7 HA ASN 7 14.045 13.750 0.108 43 HB2 ASN 7 1HB ASN 7 12.407 13.198 -1.717 44 HB3 ASN 7 2HB ASN 7 12.436 12.022 -0.412 45 HD21 ASN 7 1HD2 ASN 7 8.940 12.206 -0.671 46 HD22 ASN 7 2HD2 ASN 7 10.376 11.298 -1.079 47 H ASN 8 H ASN 8 12.221 14.982 -2.026 48 HA ASN 8 HA ASN 8 12.932 17.767 -1.341 49 HB2 ASN 8 1HB ASN 8 12.112 16.457 -3.965 50 HB3 ASN 8 2HB ASN 8 12.528 18.165 -3.783 51 HD21 ASN 8 1HD2 ASN 8 15.440 15.837 -4.747 52 HD22 ASN 8 2HD2 ASN 8 13.758 15.743 -5.209 53 H THR 9 H THR 9 10.137 15.971 -0.988 54 HA THR 9 HA THR 9 8.416 18.298 -1.756 55 HB THR 9 HB THR 9 6.576 16.600 -2.037 56 HG1 THR 9 HG1 THR 9 7.788 14.999 -0.735 57 HG21 THR 9 1HG2 THR 9 7.888 17.400 -4.003 58 HG22 THR 9 2HG2 THR 9 7.344 15.721 -4.187 59 HG23 THR 9 3HG2 THR 9 9.033 16.061 -3.760 60 H ALA 10 H ALA 10 8.485 19.352 0.235 61 HA ALA 10 HA ALA 10 7.297 17.840 2.512 62 HB1 ALA 10 1HB ALA 10 9.529 18.917 2.875 63 HB2 ALA 10 2HB ALA 10 8.257 19.568 3.935 64 HB3 ALA 10 3HB ALA 10 8.788 20.494 2.511 65 H SER 11 H SER 11 5.561 18.720 3.624 66 HA SER 11 HA SER 11 3.537 20.045 2.139 67 HB2 SER 11 1HB SER 11 3.071 18.704 4.159 68 HB3 SER 11 2HB SER 11 3.952 19.878 5.154 69 HG SER 11 HG SER 11 1.489 20.186 3.774 70 H TRP 12 H TRP 12 2.892 22.181 2.020 71 HA TRP 12 HA TRP 12 4.857 24.210 2.365 72 HB2 TRP 12 1HB TRP 12 2.041 24.052 1.491 73 HB3 TRP 12 2HB TRP 12 2.539 25.605 2.182 74 HD1 TRP 12 HD1 TRP 12 2.827 23.579 -0.943 75 HE1 TRP 12 HE1 TRP 12 4.270 24.720 -2.675 76 HE3 TRP 12 HE3 TRP 12 4.736 27.227 2.075 77 HZ2 TRP 12 HZ2 TRP 12 6.117 26.905 -2.737 78 HZ3 TRP 12 HZ3 TRP 12 6.357 28.865 1.097 79 HH2 TRP 12 HH2 TRP 12 7.051 28.679 -1.289 80 H PHE 13 H PHE 13 2.578 22.863 4.586 81 HA PHE 13 HA PHE 13 2.810 25.292 6.291 82 HB2 PHE 13 1HB PHE 13 0.510 23.332 6.131 83 HB3 PHE 13 2HB PHE 13 0.550 24.862 7.019 84 HD1 PHE 13 HD1 PHE 13 0.035 23.247 3.782 85 HD2 PHE 13 HD2 PHE 13 0.539 27.019 5.779 86 HE1 PHE 13 HE1 PHE 13 -0.768 24.429 1.744 87 HE2 PHE 13 HE2 PHE 13 -0.249 28.205 3.741 88 HZ PHE 13 HZ PHE 13 -0.876 26.896 1.710 89 H THR 14 H THR 14 2.429 24.962 8.577 90 HA THR 14 HA THR 14 4.099 22.838 9.603 91 HB THR 14 HB THR 14 3.408 23.695 11.824 92 HG1 THR 14 HG1 THR 14 1.896 25.283 12.002 93 HG21 THR 14 1HG2 THR 14 4.305 25.967 11.631 94 HG22 THR 14 2HG2 THR 14 4.081 25.922 9.871 95 HG23 THR 14 3HG2 THR 14 5.250 24.829 10.646 96 H ALA 15 H ALA 15 3.283 21.339 11.340 97 HA ALA 15 HA ALA 15 1.166 19.787 10.164 98 HB1 ALA 15 1HB ALA 15 1.733 18.133 11.782 99 HB2 ALA 15 2HB ALA 15 2.421 19.344 12.899 100 HB3 ALA 15 3HB ALA 15 3.269 18.933 11.393 101 H LEU 16 H LEU 16 -0.819 19.251 10.987 102 HA LEU 16 HA LEU 16 -1.944 21.021 13.111 103 HB2 LEU 16 1HB LEU 16 -3.073 18.930 11.221 104 HB3 LEU 16 2HB LEU 16 -3.926 19.364 12.687 105 HG LEU 16 HG LEU 16 -3.335 21.205 10.385 106 HD11 LEU 16 1HD1 LEU 16 -5.768 21.167 10.094 107 HD12 LEU 16 2HD1 LEU 16 -5.939 20.083 11.496 108 HD13 LEU 16 3HD1 LEU 16 -5.123 19.516 10.022 109 HD21 LEU 16 1HD2 LEU 16 -4.821 22.788 11.664 110 HD22 LEU 16 2HD2 LEU 16 -3.225 22.518 12.381 111 HD23 LEU 16 3HD2 LEU 16 -4.657 21.711 13.070 112 H THR 17 H THR 17 -2.249 20.217 15.170 113 HA THR 17 HA THR 17 -1.224 17.435 15.596 114 HB THR 17 HB THR 17 -1.214 19.768 17.549 115 HG1 THR 17 HG1 THR 17 0.868 20.035 16.995 116 HG21 THR 17 1HG2 THR 17 0.381 18.258 18.786 117 HG22 THR 17 2HG2 THR 17 -0.029 16.959 17.644 118 HG23 THR 17 3HG2 THR 17 -1.281 17.634 18.717 119 H GLN 18 H GLN 18 -2.615 16.010 16.333 120 HA GLN 18 HA GLN 18 -5.333 16.831 16.976 121 HB2 GLN 18 1HB GLN 18 -4.633 14.710 15.767 122 HB3 GLN 18 2HB GLN 18 -3.983 14.115 17.289 123 HG2 GLN 18 1HG GLN 18 -6.801 15.043 17.389 124 HG3 GLN 18 2HG GLN 18 -6.493 13.650 16.349 125 HE21 GLN 18 1HE2 GLN 18 -6.974 11.640 19.144 126 HE22 GLN 18 2HE2 GLN 18 -7.524 12.145 17.550 127 H HIS 19 H HIS 19 -6.186 17.126 18.995 128 HA HIS 19 HA HIS 19 -4.742 15.893 21.300 129 HB2 HIS 19 1HB HIS 19 -4.071 18.302 21.157 130 HB3 HIS 19 2HB HIS 19 -5.771 18.765 21.181 131 HD1 HIS 19 HD1 HIS 19 -2.946 17.798 23.418 132 HD2 HIS 19 HD2 HIS 19 -7.069 18.330 23.677 133 HE1 HIS 19 HE1 HIS 19 -3.516 17.933 25.879 134 H GLY 20 H GLY 20 -6.384 14.306 21.371 135 HA2 GLY 20 1HA GLY 20 -8.723 14.616 22.709 136 HA3 GLY 20 2HA GLY 20 -9.165 15.215 21.103 137 H LYS 21 H LYS 21 -10.451 13.667 20.238 138 HA LYS 21 HA LYS 21 -9.390 10.881 20.267 139 HB2 LYS 21 1HB LYS 21 -12.213 11.866 20.719 140 HB3 LYS 21 2HB LYS 21 -11.792 10.194 20.374 141 HG2 LYS 21 1HG LYS 21 -10.274 10.206 22.370 142 HG3 LYS 21 2HG LYS 21 -10.873 11.830 22.759 143 HD2 LYS 21 1HD LYS 21 -13.188 10.901 22.884 144 HD3 LYS 21 2HD LYS 21 -12.521 9.278 22.613 145 HE2 LYS 21 1HE LYS 21 -11.846 11.136 24.939 146 HE3 LYS 21 2HE LYS 21 -12.900 9.713 25.021 147 HZ1 LYS 21 1HZ LYS 21 -10.667 9.216 25.809 148 HZ2 LYS 21 2HZ LYS 21 -10.005 9.662 24.366 149 HZ3 LYS 21 3HZ LYS 21 -10.986 8.338 24.448 150 H GLU 22 H GLU 22 -10.988 13.318 18.261 151 HA GLU 22 HA GLU 22 -11.738 11.420 16.193 152 HB2 GLU 22 1HB GLU 22 -11.245 14.414 16.026 153 HB3 GLU 22 2HB GLU 22 -11.995 13.426 14.775 154 HG2 GLU 22 1HG GLU 22 -13.848 12.879 16.341 155 HG3 GLU 22 2HG GLU 22 -13.117 13.943 17.555 156 H ASP 23 H ASP 23 -10.634 11.253 14.082 157 HA ASP 23 HA ASP 23 -7.727 11.208 14.408 158 HB2 ASP 23 1HB ASP 23 -9.588 9.878 12.760 159 HB3 ASP 23 2HB ASP 23 -8.655 10.885 11.651 160 H LEU 24 H LEU 24 -9.945 12.734 12.095 161 HA LEU 24 HA LEU 24 -9.428 15.417 12.399 162 HB2 LEU 24 1HB LEU 24 -7.066 15.090 11.653 163 HB3 LEU 24 2HB LEU 24 -7.639 14.266 10.208 164 HG LEU 24 HG LEU 24 -8.689 16.365 9.428 165 HD11 LEU 24 1HD1 LEU 24 -7.383 17.656 11.849 166 HD12 LEU 24 2HD1 LEU 24 -9.121 17.468 11.582 167 HD13 LEU 24 3HD1 LEU 24 -8.183 18.507 10.508 168 HD21 LEU 24 1HD2 LEU 24 -6.643 17.567 8.895 169 HD22 LEU 24 2HD2 LEU 24 -6.400 15.814 8.776 170 HD23 LEU 24 3HD2 LEU 24 -5.783 16.700 10.189 171 H LYS 25 H LYS 25 -11.043 16.397 11.112 172 HA LYS 25 HA LYS 25 -11.739 15.194 8.548 173 HB2 LYS 25 1HB LYS 25 -13.024 13.854 10.304 174 HB3 LYS 25 2HB LYS 25 -13.862 15.347 10.729 175 HG2 LYS 25 1HG LYS 25 -15.274 14.046 9.276 176 HG3 LYS 25 2HG LYS 25 -14.732 15.470 8.375 177 HD2 LYS 25 1HD LYS 25 -12.975 14.083 7.266 178 HD3 LYS 25 2HD LYS 25 -13.549 12.661 8.156 179 HE2 LYS 25 1HE LYS 25 -15.199 14.317 6.200 180 HE3 LYS 25 2HE LYS 25 -14.414 12.769 5.825 181 HZ1 LYS 25 1HZ LYS 25 -16.525 13.161 7.870 182 HZ2 LYS 25 2HZ LYS 25 -15.791 11.726 7.521 183 HZ3 LYS 25 3HZ LYS 25 -16.740 12.463 6.390 184 H PHE 26 H PHE 26 -12.708 16.696 7.201 185 HA PHE 26 HA PHE 26 -13.546 19.275 8.447 186 HB2 PHE 26 1HB PHE 26 -11.864 18.795 5.966 187 HB3 PHE 26 2HB PHE 26 -12.713 20.312 6.269 188 HD1 PHE 26 HD1 PHE 26 -12.348 21.025 8.972 189 HD2 PHE 26 HD2 PHE 26 -9.524 19.042 6.379 190 HE1 PHE 26 HE1 PHE 26 -10.483 21.865 10.347 191 HE2 PHE 26 HE2 PHE 26 -7.670 19.845 7.810 192 HZ PHE 26 HZ PHE 26 -8.136 21.266 9.786 193 HA PRO 27 HA PRO 27 -17.186 18.501 6.033 194 HB2 PRO 27 1HB PRO 27 -18.193 21.036 5.693 195 HB3 PRO 27 2HB PRO 27 -18.234 20.177 7.263 196 HG2 PRO 27 1HG PRO 27 -16.382 22.263 6.318 197 HG3 PRO 27 2HG PRO 27 -17.154 22.063 7.899 198 HD2 PRO 27 1HD PRO 27 -14.561 21.358 7.351 199 HD3 PRO 27 2HD PRO 27 -15.567 20.561 8.609 200 H ARG 28 H ARG 28 -18.065 18.729 3.856 201 HA ARG 28 HA ARG 28 -16.009 18.946 1.857 202 HB2 ARG 28 1HB ARG 28 -18.015 17.461 1.727 203 HB3 ARG 28 2HB ARG 28 -19.040 18.885 1.537 204 HG2 ARG 28 1HG ARG 28 -16.816 18.632 -0.433 205 HG3 ARG 28 2HG ARG 28 -18.082 17.395 -0.528 206 HD2 ARG 28 1HD ARG 28 -19.809 19.207 -0.617 207 HD3 ARG 28 2HD ARG 28 -18.512 20.409 -0.626 208 HE ARG 28 HE ARG 28 -17.989 19.872 -2.837 209 HH11 ARG 28 1HH1 ARG 28 -20.494 17.657 -1.684 210 HH12 ARG 28 2HH1 ARG 28 -20.844 17.077 -3.290 211 HH21 ARG 28 1HH2 ARG 28 -18.504 19.087 -4.848 212 HH22 ARG 28 2HH2 ARG 28 -19.737 17.873 -5.043 213 H GLY 29 H GLY 29 -15.403 20.602 0.550 214 HA2 GLY 29 1HA GLY 29 -15.671 22.620 -0.641 215 HA3 GLY 29 2HA GLY 29 -17.145 22.973 0.281 216 H GLN 30 H GLN 30 -14.863 21.882 2.403 217 HA GLN 30 HA GLN 30 -13.671 24.533 3.008 218 HB2 GLN 30 1HB GLN 30 -15.642 22.912 4.573 219 HB3 GLN 30 2HB GLN 30 -14.391 23.774 5.456 220 HG2 GLN 30 1HG GLN 30 -15.162 25.884 4.537 221 HG3 GLN 30 2HG GLN 30 -16.405 25.031 3.596 222 HE21 GLN 30 1HE2 GLN 30 -16.824 25.491 7.642 223 HE22 GLN 30 2HE2 GLN 30 -15.257 25.736 6.877 224 H GLY 31 H GLY 31 -12.105 24.239 4.865 225 HA2 GLY 31 1HA GLY 31 -10.908 22.722 6.303 226 HA3 GLY 31 2HA GLY 31 -11.137 21.435 5.116 227 H VAL 32 H VAL 32 -10.462 23.611 3.018 228 HA VAL 32 HA VAL 32 -7.665 22.959 2.819 229 HB VAL 32 HB VAL 32 -9.232 25.237 1.487 230 HG11 VAL 32 1HG1 VAL 32 -6.837 25.594 1.330 231 HG12 VAL 32 2HG1 VAL 32 -7.430 25.058 -0.229 232 HG13 VAL 32 3HG1 VAL 32 -6.578 23.915 0.803 233 HG21 VAL 32 1HG2 VAL 32 -10.264 23.058 0.970 234 HG22 VAL 32 2HG2 VAL 32 -8.678 22.415 0.475 235 HG23 VAL 32 3HG2 VAL 32 -9.441 23.721 -0.454 236 HA PRO 33 HA PRO 33 -6.531 26.093 5.770 237 HB2 PRO 33 1HB PRO 33 -3.818 25.941 5.510 238 HB3 PRO 33 2HB PRO 33 -4.786 24.671 6.318 239 HG2 PRO 33 1HG PRO 33 -3.724 24.748 3.546 240 HG3 PRO 33 2HG PRO 33 -3.688 23.423 4.734 241 HD2 PRO 33 1HD PRO 33 -5.488 23.497 2.760 242 HD3 PRO 33 2HD PRO 33 -5.846 22.801 4.371 243 H ILE 34 H ILE 34 -5.173 28.151 5.748 244 HA ILE 34 HA ILE 34 -5.832 29.605 3.326 245 HB ILE 34 HB ILE 34 -4.158 30.436 5.721 246 HG12 ILE 34 1HG1 ILE 34 -7.001 31.128 4.925 247 HG13 ILE 34 2HG1 ILE 34 -6.559 29.924 6.135 248 HG21 ILE 34 1HG2 ILE 34 -4.320 32.727 4.864 249 HG22 ILE 34 2HG2 ILE 34 -5.318 32.184 3.491 250 HG23 ILE 34 3HG2 ILE 34 -3.606 31.716 3.602 251 HD11 ILE 34 1HD1 ILE 34 -6.055 32.879 6.256 252 HD12 ILE 34 2HD1 ILE 34 -5.404 31.695 7.414 253 HD13 ILE 34 3HD1 ILE 34 -7.154 31.918 7.259 254 H ASN 35 H ASN 35 -4.838 29.211 1.581 255 HA ASN 35 HA ASN 35 -1.993 28.447 1.613 256 HB2 ASN 35 1HB ASN 35 -4.070 28.461 -0.577 257 HB3 ASN 35 2HB ASN 35 -2.397 28.004 -0.822 258 HD21 ASN 35 1HD2 ASN 35 -4.337 24.912 -0.364 259 HD22 ASN 35 2HD2 ASN 35 -4.320 26.242 -1.495 260 H THR 36 H THR 36 -1.128 30.446 2.197 261 HA THR 36 HA THR 36 -1.688 32.916 0.870 262 HB THR 36 HB THR 36 0.392 33.682 1.984 263 HG1 THR 36 HG1 THR 36 1.748 32.211 2.922 264 HG21 THR 36 1HG2 THR 36 -0.210 33.194 4.264 265 HG22 THR 36 2HG2 THR 36 -1.066 31.714 3.776 266 HG23 THR 36 3HG2 THR 36 -1.715 33.313 3.326 267 H ASN 37 H ASN 37 0.126 30.246 -0.133 268 HA ASN 37 HA ASN 37 1.804 31.873 -1.995 269 HB2 ASN 37 1HB ASN 37 3.315 29.952 -2.028 270 HB3 ASN 37 2HB ASN 37 3.006 30.427 -0.354 271 HD21 ASN 37 1HD2 ASN 37 1.373 27.440 0.542 272 HD22 ASN 37 2HD2 ASN 37 1.722 29.099 0.972 273 H SER 38 H SER 38 -1.131 30.754 -2.349 274 HA SER 38 HA SER 38 -0.529 29.351 -4.897 275 HB2 SER 38 1HB SER 38 -2.639 28.206 -3.139 276 HB3 SER 38 2HB SER 38 -1.565 27.421 -4.313 277 HG SER 38 HG SER 38 0.161 27.849 -2.803 278 H SER 39 H SER 39 -2.547 28.759 -6.140 279 HA SER 39 HA SER 39 -4.070 31.275 -6.515 280 HB2 SER 39 1HB SER 39 -3.794 28.752 -8.202 281 HB3 SER 39 2HB SER 39 -4.533 30.275 -8.716 282 HG SER 39 HG SER 39 -1.829 29.773 -8.054 283 HA PRO 40 HA PRO 40 -7.806 29.608 -5.067 284 HB2 PRO 40 1HB PRO 40 -9.785 30.269 -6.849 285 HB3 PRO 40 2HB PRO 40 -8.988 31.464 -5.773 286 HG2 PRO 40 1HG PRO 40 -8.330 30.791 -8.638 287 HG3 PRO 40 2HG PRO 40 -8.656 32.396 -7.905 288 HD2 PRO 40 1HD PRO 40 -6.140 31.564 -8.256 289 HD3 PRO 40 2HD PRO 40 -6.604 32.400 -6.732 290 H ASP 41 H ASP 41 -7.006 28.641 -8.403 291 HA ASP 41 HA ASP 41 -8.957 26.505 -8.464 292 HB2 ASP 41 1HB ASP 41 -8.129 25.997 -10.538 293 HB3 ASP 41 2HB ASP 41 -7.649 27.696 -10.427 294 H ASP 42 H ASP 42 -5.759 26.870 -7.106 295 HA ASP 42 HA ASP 42 -5.335 23.971 -7.215 296 HB2 ASP 42 1HB ASP 42 -3.056 24.372 -6.729 297 HB3 ASP 42 2HB ASP 42 -3.566 25.465 -8.015 298 H GLN 43 H GLN 43 -6.868 25.864 -5.145 299 HA GLN 43 HA GLN 43 -5.860 25.270 -2.588 300 HB2 GLN 43 1HB GLN 43 -8.713 25.626 -3.575 301 HB3 GLN 43 2HB GLN 43 -8.231 25.711 -1.889 302 HG2 GLN 43 1HG GLN 43 -7.335 27.563 -4.102 303 HG3 GLN 43 2HG GLN 43 -8.476 27.953 -2.817 304 HE21 GLN 43 1HE2 GLN 43 -4.532 28.462 -2.299 305 HE22 GLN 43 2HE2 GLN 43 -5.268 28.058 -3.834 306 H ILE 44 H ILE 44 -7.509 23.191 -4.820 307 HA ILE 44 HA ILE 44 -8.579 21.291 -3.010 308 HB ILE 44 HB ILE 44 -9.197 21.467 -5.368 309 HG12 ILE 44 1HG1 ILE 44 -8.078 18.709 -5.021 310 HG13 ILE 44 2HG1 ILE 44 -9.348 19.320 -3.956 311 HG21 ILE 44 1HG2 ILE 44 -6.356 20.547 -5.918 312 HG22 ILE 44 2HG2 ILE 44 -7.180 22.010 -6.498 313 HG23 ILE 44 3HG2 ILE 44 -7.649 20.418 -7.101 314 HD11 ILE 44 1HD1 ILE 44 -10.253 18.032 -5.891 315 HD12 ILE 44 2HD1 ILE 44 -9.570 19.240 -6.991 316 HD13 ILE 44 3HD1 ILE 44 -10.841 19.705 -5.840 317 H GLY 45 H GLY 45 -7.841 19.511 -1.993 318 HA2 GLY 45 1HA GLY 45 -5.400 18.176 -2.552 319 HA3 GLY 45 2HA GLY 45 -5.073 19.424 -1.335 320 H TYR 46 H TYR 46 -4.555 17.717 0.157 321 HA TYR 46 HA TYR 46 -6.956 16.860 1.618 322 HB2 TYR 46 1HB TYR 46 -6.421 14.502 1.584 323 HB3 TYR 46 2HB TYR 46 -6.567 15.054 -0.080 324 HD1 TYR 46 HD1 TYR 46 -4.502 15.338 -1.486 325 HD2 TYR 46 HD2 TYR 46 -4.383 13.718 2.497 326 HE1 TYR 46 HE1 TYR 46 -2.222 14.433 -1.942 327 HE2 TYR 46 HE2 TYR 46 -2.104 12.776 2.008 328 HH TYR 46 HH TYR 46 -0.382 12.618 0.506 329 H TYR 47 H TYR 47 -6.196 15.660 3.687 330 HA TYR 47 HA TYR 47 -3.487 16.702 4.475 331 HB2 TYR 47 1HB TYR 47 -5.889 16.094 6.184 332 HB3 TYR 47 2HB TYR 47 -4.287 16.338 6.822 333 HD1 TYR 47 HD1 TYR 47 -3.759 18.404 7.691 334 HD2 TYR 47 HD2 TYR 47 -6.715 18.207 4.561 335 HE1 TYR 47 HE1 TYR 47 -4.228 20.828 7.957 336 HE2 TYR 47 HE2 TYR 47 -7.156 20.623 4.846 337 HH TYR 47 HH TYR 47 -6.775 22.488 6.114 338 H ARG 48 H ARG 48 -2.053 15.286 5.235 339 HA ARG 48 HA ARG 48 -2.776 12.399 5.012 340 HB2 ARG 48 1HB ARG 48 -1.025 13.540 3.526 341 HB3 ARG 48 2HB ARG 48 -0.018 13.685 4.957 342 HG2 ARG 48 1HG ARG 48 0.188 11.314 5.161 343 HG3 ARG 48 2HG ARG 48 -1.118 11.040 3.989 344 HD2 ARG 48 1HD ARG 48 0.262 12.182 2.249 345 HD3 ARG 48 2HD ARG 48 1.598 12.268 3.404 346 HE ARG 48 HE ARG 48 0.524 9.857 2.058 347 HH11 ARG 48 1HH1 ARG 48 2.871 11.155 4.356 348 HH12 ARG 48 2HH1 ARG 48 3.853 9.716 4.302 349 HH21 ARG 48 1HH2 ARG 48 1.814 8.055 2.056 350 HH22 ARG 48 2HH2 ARG 48 3.256 7.990 3.029 351 H ARG 49 H ARG 49 -2.844 11.238 6.790 352 HA ARG 49 HA ARG 49 -2.162 12.171 9.416 353 HB2 ARG 49 1HB ARG 49 -3.746 10.323 8.593 354 HB3 ARG 49 2HB ARG 49 -2.327 9.298 8.435 355 HG2 ARG 49 1HG ARG 49 -1.966 9.568 10.921 356 HG3 ARG 49 2HG ARG 49 -3.515 10.451 10.975 357 HD2 ARG 49 1HD ARG 49 -4.464 8.416 9.651 358 HD3 ARG 49 2HD ARG 49 -3.003 7.566 10.164 359 HE ARG 49 HE ARG 49 -4.421 8.758 12.395 360 HH11 ARG 49 1HH1 ARG 49 -4.553 5.962 10.197 361 HH12 ARG 49 2HH1 ARG 49 -5.400 4.997 11.364 362 HH21 ARG 49 1HH2 ARG 49 -5.495 7.452 13.795 363 HH22 ARG 49 2HH2 ARG 49 -5.895 5.807 13.373 364 H ALA 50 H ALA 50 -0.269 12.027 10.581 365 HA ALA 50 HA ALA 50 1.959 10.439 9.398 366 HB1 ALA 50 1HB ALA 50 3.502 12.315 9.865 367 HB2 ALA 50 2HB ALA 50 2.124 13.324 10.379 368 HB3 ALA 50 3HB ALA 50 2.251 12.779 8.688 369 H THR 51 H THR 51 2.892 9.159 10.787 370 HA THR 51 HA THR 51 3.077 9.948 13.650 371 HB THR 51 HB THR 51 2.729 7.449 14.187 372 HG1 THR 51 HG1 THR 51 1.220 6.541 12.510 373 HG21 THR 51 1HG2 THR 51 0.310 7.635 14.280 374 HG22 THR 51 2HG2 THR 51 0.329 8.940 13.071 375 HG23 THR 51 3HG2 THR 51 1.043 9.203 14.682 376 H ARG 52 H ARG 52 5.082 9.691 14.410 377 HA ARG 52 HA ARG 52 6.861 7.587 13.533 378 HB2 ARG 52 1HB ARG 52 6.953 9.352 11.630 379 HB3 ARG 52 2HB ARG 52 7.716 10.416 12.800 380 HG2 ARG 52 1HG ARG 52 9.414 9.393 11.410 381 HG3 ARG 52 2HG ARG 52 9.582 8.774 13.057 382 HD2 ARG 52 1HD ARG 52 9.864 7.024 11.281 383 HD3 ARG 52 2HD ARG 52 8.585 6.648 12.444 384 HE ARG 52 HE ARG 52 7.207 7.881 10.426 385 HH11 ARG 52 1HH1 ARG 52 9.457 5.144 10.397 386 HH12 ARG 52 2HH1 ARG 52 8.665 4.409 9.018 387 HH21 ARG 52 1HH2 ARG 52 6.266 6.850 8.694 388 HH22 ARG 52 2HH2 ARG 52 6.905 5.332 8.102 389 H ARG 53 H ARG 53 8.330 7.247 15.156 390 HA ARG 53 HA ARG 53 8.724 9.431 17.177 391 HB2 ARG 53 1HB ARG 53 8.406 6.435 17.548 392 HB3 ARG 53 2HB ARG 53 9.211 7.461 18.739 393 HG2 ARG 53 1HG ARG 53 7.069 8.883 18.674 394 HG3 ARG 53 2HG ARG 53 6.331 7.426 17.952 395 HD2 ARG 53 1HD ARG 53 7.571 6.201 19.897 396 HD3 ARG 53 2HD ARG 53 7.624 7.795 20.648 397 HE ARG 53 HE ARG 53 4.950 7.249 19.780 398 HH11 ARG 53 1HH1 ARG 53 7.190 6.261 22.331 399 HH12 ARG 53 2HH1 ARG 53 5.902 5.999 23.471 400 HH21 ARG 53 1HH2 ARG 53 3.370 6.833 21.292 401 HH22 ARG 53 2HH2 ARG 53 3.799 6.290 22.889 402 H ILE 54 H ILE 54 10.722 9.140 18.381 403 HA ILE 54 HA ILE 54 12.890 7.897 16.791 404 HB ILE 54 HB ILE 54 14.202 9.823 16.738 405 HG12 ILE 54 1HG1 ILE 54 14.131 10.453 19.083 406 HG13 ILE 54 2HG1 ILE 54 13.946 11.835 18.041 407 HG21 ILE 54 1HG2 ILE 54 12.944 11.638 15.754 408 HG22 ILE 54 2HG2 ILE 54 11.427 11.076 16.497 409 HG23 ILE 54 3HG2 ILE 54 12.241 10.091 15.248 410 HD11 ILE 54 1HD1 ILE 54 11.696 10.529 19.523 411 HD12 ILE 54 2HD1 ILE 54 11.625 12.014 18.547 412 HD13 ILE 54 3HD1 ILE 54 12.581 11.971 20.038 413 H ARG 55 H ARG 55 14.896 8.002 18.325 414 HA ARG 55 HA ARG 55 14.092 7.878 21.195 415 HB2 ARG 55 1HB ARG 55 14.103 5.535 20.346 416 HB3 ARG 55 2HB ARG 55 15.773 5.744 19.803 417 HG2 ARG 55 1HG ARG 55 15.405 6.453 22.643 418 HG3 ARG 55 2HG ARG 55 14.955 4.774 22.298 419 HD2 ARG 55 1HD ARG 55 17.125 4.190 21.614 420 HD3 ARG 55 2HD ARG 55 17.547 5.856 21.200 421 HE ARG 55 HE ARG 55 17.893 6.380 23.496 422 HH11 ARG 55 1HH1 ARG 55 17.290 2.921 23.034 423 HH12 ARG 55 2HH1 ARG 55 17.988 2.507 24.575 424 HH21 ARG 55 1HH2 ARG 55 18.796 5.765 25.431 425 HH22 ARG 55 2HH2 ARG 55 18.811 4.085 25.904 426 H GLY 56 H GLY 56 15.214 9.550 21.991 427 HA2 GLY 56 1HA GLY 56 17.857 10.252 20.923 428 HA3 GLY 56 2HA GLY 56 17.038 10.985 22.329 429 H GLY 57 H GLY 57 19.833 10.181 22.368 430 HA2 GLY 57 1HA GLY 57 20.225 7.571 23.359 431 HA3 GLY 57 2HA GLY 57 21.274 8.958 23.703 432 H ASP 58 H ASP 58 19.432 10.578 25.074 433 HA ASP 58 HA ASP 58 19.492 9.316 27.695 434 HB2 ASP 58 1HB ASP 58 20.077 11.729 27.085 435 HB3 ASP 58 2HB ASP 58 18.339 12.012 26.952 436 H GLY 59 H GLY 59 17.479 8.593 25.418 437 HA2 GLY 59 1HA GLY 59 15.604 7.238 25.702 438 HA3 GLY 59 2HA GLY 59 15.435 7.831 27.361 439 H LYS 60 H LYS 60 15.809 10.250 24.985 440 HA LYS 60 HA LYS 60 13.177 11.245 25.641 441 HB2 LYS 60 1HB LYS 60 15.110 12.317 23.564 442 HB3 LYS 60 2HB LYS 60 13.775 13.179 24.342 443 HG2 LYS 60 1HG LYS 60 16.449 12.363 25.496 444 HG3 LYS 60 2HG LYS 60 15.731 13.975 25.407 445 HD2 LYS 60 1HD LYS 60 13.995 13.190 27.109 446 HD3 LYS 60 2HD LYS 60 14.932 11.677 27.249 447 HE2 LYS 60 1HE LYS 60 16.940 13.280 27.647 448 HE3 LYS 60 2HE LYS 60 15.690 14.452 28.102 449 HZ1 LYS 60 1HZ LYS 60 14.980 12.989 29.837 450 HZ2 LYS 60 2HZ LYS 60 16.636 13.039 29.936 451 HZ3 LYS 60 3HZ LYS 60 15.897 11.729 29.273 452 H MET 61 H MET 61 11.377 11.042 24.617 453 HA MET 61 HA MET 61 11.390 9.764 21.909 454 HB2 MET 61 1HB MET 61 9.251 9.633 24.072 455 HB3 MET 61 2HB MET 61 9.215 8.805 22.514 456 HG2 MET 61 1HG MET 61 11.158 8.293 24.784 457 HG3 MET 61 2HG MET 61 9.782 7.281 24.342 458 HE1 MET 61 1HE MET 61 9.691 5.651 22.369 459 HE2 MET 61 2HE MET 61 10.927 5.503 21.097 460 HE3 MET 61 3HE MET 61 9.895 6.947 21.157 461 H LYS 62 H LYS 62 9.656 10.466 20.513 462 HA LYS 62 HA LYS 62 8.973 13.318 20.891 463 HB2 LYS 62 1HB LYS 62 9.667 12.628 18.671 464 HB3 LYS 62 2HB LYS 62 8.495 11.323 18.638 465 HG2 LYS 62 1HG LYS 62 8.007 13.334 17.199 466 HG3 LYS 62 2HG LYS 62 6.695 12.780 18.244 467 HD2 LYS 62 1HD LYS 62 6.750 15.216 18.232 468 HD3 LYS 62 2HD LYS 62 7.158 14.631 19.838 469 HE2 LYS 62 1HE LYS 62 9.585 14.998 19.329 470 HE3 LYS 62 2HE LYS 62 9.112 15.687 17.759 471 HZ1 LYS 62 1HZ LYS 62 9.398 17.420 19.463 472 HZ2 LYS 62 2HZ LYS 62 8.248 16.725 20.419 473 HZ3 LYS 62 3HZ LYS 62 7.826 17.377 18.966 474 H ASP 63 H ASP 63 7.462 10.153 20.635 475 HA ASP 63 HA ASP 63 5.435 9.337 21.262 476 HB2 ASP 63 1HB ASP 63 6.650 10.339 23.402 477 HB3 ASP 63 2HB ASP 63 5.212 11.363 23.450 478 H LEU 64 H LEU 64 3.374 10.985 22.670 479 HA LEU 64 HA LEU 64 1.581 12.259 22.305 480 HB2 LEU 64 1HB LEU 64 3.700 13.660 20.889 481 HB3 LEU 64 2HB LEU 64 2.128 14.012 20.207 482 HG LEU 64 HG LEU 64 2.843 15.672 21.856 483 HD11 LEU 64 1HD1 LEU 64 0.812 15.784 23.201 484 HD12 LEU 64 2HD1 LEU 64 0.458 14.074 22.875 485 HD13 LEU 64 3HD1 LEU 64 0.425 15.264 21.549 486 HD21 LEU 64 1HD2 LEU 64 3.061 15.185 24.215 487 HD22 LEU 64 2HD2 LEU 64 4.170 14.133 23.310 488 HD23 LEU 64 3HD2 LEU 64 2.647 13.477 23.958 489 H SER 65 H SER 65 0.032 13.219 20.666 490 HA SER 65 HA SER 65 -1.211 11.020 19.367 491 HB2 SER 65 1HB SER 65 -2.319 13.487 18.511 492 HB3 SER 65 2HB SER 65 -2.881 12.450 19.843 493 HG SER 65 HG SER 65 -2.209 14.765 20.244 494 HA PRO 66 HA PRO 66 0.102 11.415 15.210 495 HB2 PRO 66 1HB PRO 66 -2.134 11.445 13.628 496 HB3 PRO 66 2HB PRO 66 -1.604 9.975 14.506 497 HG2 PRO 66 1HG PRO 66 -3.646 12.022 15.333 498 HG3 PRO 66 2HG PRO 66 -3.816 10.238 15.233 499 HD2 PRO 66 1HD PRO 66 -3.262 11.425 17.569 500 HD3 PRO 66 2HD PRO 66 -2.437 9.893 17.118 501 H ARG 67 H ARG 67 0.441 12.857 13.496 502 HA ARG 67 HA ARG 67 -0.744 15.592 13.879 503 HB2 ARG 67 1HB ARG 67 1.677 15.623 12.322 504 HB3 ARG 67 2HB ARG 67 1.325 16.480 13.824 505 HG2 ARG 67 1HG ARG 67 2.154 14.601 15.141 506 HG3 ARG 67 2HG ARG 67 2.372 13.632 13.664 507 HD2 ARG 67 1HD ARG 67 3.930 15.388 12.814 508 HD3 ARG 67 2HD ARG 67 3.849 16.162 14.412 509 HE ARG 67 HE ARG 67 4.492 13.587 15.041 510 HH11 ARG 67 1HH1 ARG 67 5.945 15.848 12.749 511 HH12 ARG 67 2HH1 ARG 67 7.527 15.132 12.899 512 HH21 ARG 67 1HH2 ARG 67 6.539 12.705 15.168 513 HH22 ARG 67 2HH2 ARG 67 7.850 13.380 14.239 514 H TRP 68 H TRP 68 -0.991 16.742 11.789 515 HA TRP 68 HA TRP 68 -1.147 14.852 9.469 516 HB2 TRP 68 1HB TRP 68 -3.216 16.874 10.375 517 HB3 TRP 68 2HB TRP 68 -3.230 16.075 8.802 518 HD1 TRP 68 HD1 TRP 68 -3.345 15.026 12.559 519 HE1 TRP 68 HE1 TRP 68 -4.837 12.984 12.831 520 HE3 TRP 68 HE3 TRP 68 -4.405 14.253 7.613 521 HZ2 TRP 68 HZ2 TRP 68 -6.316 11.254 11.139 522 HZ3 TRP 68 HZ3 TRP 68 -5.932 12.373 6.995 523 HH2 TRP 68 HH2 TRP 68 -6.888 10.892 8.770 524 H TYR 69 H TYR 69 -0.703 15.767 7.465 525 HA TYR 69 HA TYR 69 0.229 18.629 7.501 526 HB2 TYR 69 1HB TYR 69 1.479 16.202 6.150 527 HB3 TYR 69 2HB TYR 69 1.932 17.873 5.819 528 HD1 TYR 69 HD1 TYR 69 2.012 15.186 8.396 529 HD2 TYR 69 HD2 TYR 69 3.342 19.142 7.338 530 HE1 TYR 69 HE1 TYR 69 3.676 15.135 10.263 531 HE2 TYR 69 HE2 TYR 69 5.014 19.068 9.184 532 HH TYR 69 HH TYR 69 5.874 17.877 10.918 533 H PHE 70 H PHE 70 -0.335 19.804 5.634 534 HA PHE 70 HA PHE 70 -2.485 18.596 4.029 535 HB2 PHE 70 1HB PHE 70 -2.886 20.823 4.938 536 HB3 PHE 70 2HB PHE 70 -1.392 21.425 4.207 537 HD1 PHE 70 HD1 PHE 70 -4.705 19.900 3.294 538 HD2 PHE 70 HD2 PHE 70 -1.412 22.367 2.054 539 HE1 PHE 70 HE1 PHE 70 -5.926 20.480 1.202 540 HE2 PHE 70 HE2 PHE 70 -2.638 22.970 -0.027 541 HZ PHE 70 HZ PHE 70 -4.897 22.017 -0.464 542 H TYR 71 H TYR 71 -2.351 18.150 1.912 543 HA TYR 71 HA TYR 71 0.166 18.817 0.474 544 HB2 TYR 71 1HB TYR 71 -0.810 16.216 1.453 545 HB3 TYR 71 2HB TYR 71 -0.319 16.219 -0.265 546 HD1 TYR 71 HD1 TYR 71 2.070 16.722 -0.861 547 HD2 TYR 71 HD2 TYR 71 0.790 16.484 3.240 548 HE1 TYR 71 HE1 TYR 71 4.456 16.579 -0.121 549 HE2 TYR 71 HE2 TYR 71 3.169 16.321 3.966 550 HH TYR 71 HH TYR 71 5.896 16.309 1.664 551 H TYR 72 H TYR 72 -0.163 19.132 -1.672 552 HA TYR 72 HA TYR 72 -2.868 19.726 -2.473 553 HB2 TYR 72 1HB TYR 72 -0.198 19.846 -3.915 554 HB3 TYR 72 2HB TYR 72 -1.725 20.412 -4.606 555 HD1 TYR 72 HD1 TYR 72 0.681 20.996 -1.768 556 HD2 TYR 72 HD2 TYR 72 -2.642 22.552 -4.020 557 HE1 TYR 72 HE1 TYR 72 0.909 23.193 -0.607 558 HE2 TYR 72 HE2 TYR 72 -2.375 24.757 -2.882 559 HH TYR 72 HH TYR 72 -1.030 26.026 -1.456 560 H LEU 73 H LEU 73 -3.855 19.012 -4.495 561 HA LEU 73 HA LEU 73 -4.228 16.230 -4.544 562 HB2 LEU 73 1HB LEU 73 -5.396 18.414 -5.716 563 HB3 LEU 73 2HB LEU 73 -4.634 17.669 -7.107 564 HG LEU 73 HG LEU 73 -6.824 16.546 -5.348 565 HD11 LEU 73 1HD1 LEU 73 -8.089 16.553 -7.400 566 HD12 LEU 73 2HD1 LEU 73 -6.648 16.959 -8.352 567 HD13 LEU 73 3HD1 LEU 73 -7.330 18.144 -7.222 568 HD21 LEU 73 1HD2 LEU 73 -6.818 14.532 -6.824 569 HD22 LEU 73 2HD2 LEU 73 -5.408 14.626 -5.765 570 HD23 LEU 73 3HD2 LEU 73 -5.253 15.056 -7.486 571 H GLY 74 H GLY 74 -3.229 14.537 -5.452 572 HA2 GLY 74 1HA GLY 74 -2.003 13.322 -6.967 573 HA3 GLY 74 2HA GLY 74 -1.840 14.768 -7.963 574 H THR 75 H THR 75 -0.673 14.761 -4.596 575 HA THR 75 HA THR 75 2.052 15.139 -5.698 576 HB THR 75 HB THR 75 2.559 15.396 -3.138 577 HG1 THR 75 HG1 THR 75 -0.215 15.970 -2.999 578 HG21 THR 75 1HG2 THR 75 2.518 17.345 -4.562 579 HG22 THR 75 2HG2 THR 75 1.597 17.709 -3.089 580 HG23 THR 75 3HG2 THR 75 0.735 17.343 -4.600 581 H GLY 76 H GLY 76 3.776 13.788 -5.221 582 HA2 GLY 76 1HA GLY 76 4.775 11.857 -4.225 583 HA3 GLY 76 2HA GLY 76 3.168 11.170 -3.929 584 HA PRO 77 HA PRO 77 4.876 10.436 -8.371 585 HB2 PRO 77 1HB PRO 77 6.559 8.274 -8.269 586 HB3 PRO 77 2HB PRO 77 7.106 9.954 -8.037 587 HG2 PRO 77 1HG PRO 77 6.444 7.919 -5.936 588 HG3 PRO 77 2HG PRO 77 7.909 8.939 -6.095 589 HD2 PRO 77 1HD PRO 77 5.874 9.644 -4.465 590 HD3 PRO 77 2HD PRO 77 6.780 10.876 -5.413 591 H GLU 78 H GLU 78 4.389 7.835 -6.024 592 HA GLU 78 HA GLU 78 2.728 6.341 -8.021 593 HB2 GLU 78 1HB GLU 78 4.228 5.382 -5.556 594 HB3 GLU 78 2HB GLU 78 3.215 4.360 -6.586 595 HG2 GLU 78 1HG GLU 78 4.705 4.674 -8.466 596 HG3 GLU 78 2HG GLU 78 5.678 5.842 -7.554 597 H ALA 79 H ALA 79 1.786 8.610 -6.597 598 HA ALA 79 HA ALA 79 0.532 7.931 -4.134 599 HB1 ALA 79 1HB ALA 79 -0.760 9.981 -4.486 600 HB2 ALA 79 2HB ALA 79 -0.289 10.008 -6.204 601 HB3 ALA 79 3HB ALA 79 0.940 10.228 -4.945 602 H GLY 80 H GLY 80 -0.700 7.901 -7.493 603 HA2 GLY 80 1HA GLY 80 -2.548 6.879 -8.417 604 HA3 GLY 80 2HA GLY 80 -2.387 5.678 -7.125 605 H LEU 81 H LEU 81 -3.036 9.118 -6.486 606 HA LEU 81 HA LEU 81 -5.671 8.274 -5.434 607 HB2 LEU 81 1HB LEU 81 -3.488 10.074 -4.430 608 HB3 LEU 81 2HB LEU 81 -5.140 10.376 -3.976 609 HG LEU 81 HG LEU 81 -3.600 7.859 -3.348 610 HD11 LEU 81 1HD1 LEU 81 -3.712 8.751 -1.030 611 HD12 LEU 81 2HD1 LEU 81 -4.512 10.211 -1.635 612 HD13 LEU 81 3HD1 LEU 81 -2.839 9.845 -2.115 613 HD21 LEU 81 1HD2 LEU 81 -5.551 7.314 -1.901 614 HD22 LEU 81 2HD2 LEU 81 -5.983 7.344 -3.624 615 HD23 LEU 81 3HD2 LEU 81 -6.418 8.703 -2.563 616 HA PRO 82 HA PRO 82 -7.127 11.718 -7.999 617 HB2 PRO 82 1HB PRO 82 -9.593 10.653 -8.448 618 HB3 PRO 82 2HB PRO 82 -8.160 10.099 -9.378 619 HG2 PRO 82 1HG PRO 82 -9.499 8.837 -7.006 620 HG3 PRO 82 2HG PRO 82 -8.889 8.073 -8.495 621 HD2 PRO 82 1HD PRO 82 -7.544 8.087 -6.150 622 HD3 PRO 82 2HD PRO 82 -6.760 7.960 -7.742 623 H TYR 83 H TYR 83 -9.031 13.172 -7.381 624 HA TYR 83 HA TYR 83 -9.097 13.539 -4.563 625 HB2 TYR 83 1HB TYR 83 -9.529 15.307 -6.253 626 HB3 TYR 83 2HB TYR 83 -11.066 14.529 -6.648 627 HD1 TYR 83 HD1 TYR 83 -9.182 16.406 -4.061 628 HD2 TYR 83 HD2 TYR 83 -12.993 14.724 -5.133 629 HE1 TYR 83 HE1 TYR 83 -10.260 17.665 -2.220 630 HE2 TYR 83 HE2 TYR 83 -14.064 15.983 -3.261 631 HH TYR 83 HH TYR 83 -13.737 17.379 -1.478 632 H GLY 84 H GLY 84 -10.378 12.763 -2.987 633 HA2 GLY 84 1HA GLY 84 -12.358 11.932 -2.060 634 HA3 GLY 84 2HA GLY 84 -12.973 11.564 -3.672 635 H ALA 85 H ALA 85 -9.971 10.213 -3.810 636 HA ALA 85 HA ALA 85 -11.017 7.569 -3.489 637 HB1 ALA 85 1HB ALA 85 -8.553 6.929 -3.583 638 HB2 ALA 85 2HB ALA 85 -8.235 8.670 -3.808 639 HB3 ALA 85 3HB ALA 85 -9.246 7.788 -4.972 640 H ASN 86 H ASN 86 -11.191 6.248 -1.841 641 HA ASN 86 HA ASN 86 -10.644 7.238 0.833 642 HB2 ASN 86 1HB ASN 86 -12.643 5.849 0.190 643 HB3 ASN 86 2HB ASN 86 -11.554 4.475 -0.067 644 HD21 ASN 86 1HD2 ASN 86 -12.410 3.642 3.234 645 HD22 ASN 86 2HD2 ASN 86 -12.664 3.296 1.540 646 H LYS 87 H LYS 87 -8.896 6.902 2.063 647 HA LYS 87 HA LYS 87 -7.252 4.492 1.766 648 HB2 LYS 87 1HB LYS 87 -6.375 5.997 0.000 649 HB3 LYS 87 2HB LYS 87 -6.124 7.255 1.185 650 HG2 LYS 87 1HG LYS 87 -4.300 6.179 2.189 651 HG3 LYS 87 2HG LYS 87 -4.774 4.574 1.564 652 HD2 LYS 87 1HD LYS 87 -3.813 6.855 -0.161 653 HD3 LYS 87 2HD LYS 87 -2.742 5.613 0.479 654 HE2 LYS 87 1HE LYS 87 -4.000 3.864 -0.753 655 HE3 LYS 87 2HE LYS 87 -5.117 5.087 -1.380 656 HZ1 LYS 87 1HZ LYS 87 -2.208 4.968 -2.002 657 HZ2 LYS 87 2HZ LYS 87 -3.251 6.106 -2.576 658 HZ3 LYS 87 3HZ LYS 87 -3.425 4.532 -3.021 659 H ASP 88 H ASP 88 -5.855 4.291 3.644 660 HA ASP 88 HA ASP 88 -7.068 5.349 6.014 661 HB2 ASP 88 1HB ASP 88 -5.822 3.220 6.042 662 HB3 ASP 88 2HB ASP 88 -4.326 4.086 5.647 663 H GLY 89 H GLY 89 -6.775 7.160 7.083 664 HA2 GLY 89 1HA GLY 89 -5.758 9.060 7.876 665 HA3 GLY 89 2HA GLY 89 -4.226 8.438 7.255 666 H ILE 90 H ILE 90 -6.943 8.912 5.078 667 HA ILE 90 HA ILE 90 -5.637 11.412 4.097 668 HB ILE 90 HB ILE 90 -6.903 9.209 2.388 669 HG12 ILE 90 1HG1 ILE 90 -4.700 8.544 3.236 670 HG13 ILE 90 2HG1 ILE 90 -4.680 8.811 1.500 671 HG21 ILE 90 1HG2 ILE 90 -5.974 10.633 0.474 672 HG22 ILE 90 2HG2 ILE 90 -5.671 11.918 1.669 673 HG23 ILE 90 3HG2 ILE 90 -7.328 11.363 1.357 674 HD11 ILE 90 1HD1 ILE 90 -2.699 9.623 2.877 675 HD12 ILE 90 2HD1 ILE 90 -3.751 10.982 3.380 676 HD13 ILE 90 3HD1 ILE 90 -3.378 10.724 1.658 677 H ILE 91 H ILE 91 -6.900 13.070 4.171 678 HA ILE 91 HA ILE 91 -9.843 12.630 3.798 679 HB ILE 91 HB ILE 91 -10.262 14.573 5.332 680 HG12 ILE 91 1HG1 ILE 91 -7.811 14.268 6.885 681 HG13 ILE 91 2HG1 ILE 91 -7.450 14.823 5.275 682 HG21 ILE 91 1HG2 ILE 91 -10.125 13.287 7.395 683 HG22 ILE 91 2HG2 ILE 91 -8.902 12.202 6.688 684 HG23 ILE 91 3HG2 ILE 91 -10.564 12.201 6.057 685 HD11 ILE 91 1HD1 ILE 91 -7.828 16.700 6.815 686 HD12 ILE 91 2HD1 ILE 91 -9.489 16.138 7.087 687 HD13 ILE 91 3HD1 ILE 91 -8.975 16.688 5.467 688 H TRP 92 H TRP 92 -10.494 13.525 1.995 689 HA TRP 92 HA TRP 92 -8.813 15.489 0.654 690 HB2 TRP 92 1HB TRP 92 -11.447 14.178 -0.065 691 HB3 TRP 92 2HB TRP 92 -10.536 15.257 -1.119 692 HD1 TRP 92 HD1 TRP 92 -10.552 11.715 0.183 693 HE1 TRP 92 HE1 TRP 92 -8.773 10.315 -0.954 694 HE3 TRP 92 HE3 TRP 92 -8.130 15.525 -2.232 695 HZ2 TRP 92 HZ2 TRP 92 -6.563 10.793 -2.655 696 HZ3 TRP 92 HZ3 TRP 92 -6.133 14.967 -3.624 697 HH2 TRP 92 HH2 TRP 92 -5.361 12.598 -3.845 698 H VAL 93 H VAL 93 -9.138 17.594 0.313 699 HA VAL 93 HA VAL 93 -11.715 18.806 1.173 700 HB VAL 93 HB VAL 93 -10.419 20.709 2.213 701 HG11 VAL 93 1HG1 VAL 93 -9.984 18.000 3.532 702 HG12 VAL 93 2HG1 VAL 93 -11.480 18.964 3.595 703 HG13 VAL 93 3HG1 VAL 93 -9.992 19.584 4.340 704 HG21 VAL 93 1HG2 VAL 93 -8.061 18.772 2.176 705 HG22 VAL 93 2HG2 VAL 93 -8.104 20.397 2.889 706 HG23 VAL 93 3HG2 VAL 93 -8.206 20.203 1.129 707 H ALA 94 H ALA 94 -12.198 20.757 0.113 708 HA ALA 94 HA ALA 94 -10.442 21.837 -1.957 709 HB1 ALA 94 1HB ALA 94 -11.417 19.838 -3.143 710 HB2 ALA 94 2HB ALA 94 -12.032 21.364 -3.814 711 HB3 ALA 94 3HB ALA 94 -13.048 20.400 -2.715 712 H THR 95 H THR 95 -11.735 23.729 -2.929 713 HA THR 95 HA THR 95 -14.005 24.538 -1.200 714 HB THR 95 HB THR 95 -11.817 25.610 -0.390 715 HG1 THR 95 HG1 THR 95 -13.816 26.548 0.063 716 HG21 THR 95 1HG2 THR 95 -10.872 25.987 -2.708 717 HG22 THR 95 2HG2 THR 95 -10.873 27.425 -1.670 718 HG23 THR 95 3HG2 THR 95 -12.096 27.253 -2.945 719 H GLU 96 H GLU 96 -14.799 26.797 -2.406 720 HA GLU 96 HA GLU 96 -15.753 25.824 -4.929 721 HB2 GLU 96 1HB GLU 96 -16.942 27.376 -3.355 722 HB3 GLU 96 2HB GLU 96 -15.830 28.661 -3.846 723 HG2 GLU 96 1HG GLU 96 -16.657 28.586 -6.115 724 HG3 GLU 96 2HG GLU 96 -17.593 27.121 -5.771 725 H GLY 97 H GLY 97 -15.051 26.136 -6.953 726 HA2 GLY 97 1HA GLY 97 -14.011 27.284 -8.719 727 HA3 GLY 97 2HA GLY 97 -13.132 28.284 -7.556 728 H ALA 98 H ALA 98 -12.621 25.386 -6.270 729 HA ALA 98 HA ALA 98 -9.965 25.199 -7.338 730 HB1 ALA 98 1HB ALA 98 -9.688 23.403 -5.806 731 HB2 ALA 98 2HB ALA 98 -11.450 23.163 -5.668 732 HB3 ALA 98 3HB ALA 98 -10.686 24.633 -5.009 733 H LEU 99 H LEU 99 -9.087 23.886 -8.882 734 HA LEU 99 HA LEU 99 -11.008 22.381 -10.569 735 HB2 LEU 99 1HB LEU 99 -8.148 23.253 -10.906 736 HB3 LEU 99 2HB LEU 99 -8.888 22.093 -11.984 737 HG LEU 99 HG LEU 99 -9.776 24.969 -11.640 738 HD11 LEU 99 1HD1 LEU 99 -8.823 25.135 -13.934 739 HD12 LEU 99 2HD1 LEU 99 -8.278 23.440 -13.808 740 HD13 LEU 99 3HD1 LEU 99 -7.602 24.687 -12.725 741 HD21 LEU 99 1HD2 LEU 99 -10.753 22.758 -13.503 742 HD22 LEU 99 2HD2 LEU 99 -11.154 24.483 -13.673 743 HD23 LEU 99 3HD2 LEU 99 -11.701 23.593 -12.244 744 H ASN 100 H ASN 100 -11.029 20.306 -10.901 745 HA ASN 100 HA ASN 100 -9.489 18.589 -9.074 746 HB2 ASN 100 1HB ASN 100 -11.927 18.237 -9.430 747 HB3 ASN 100 2HB ASN 100 -11.610 17.874 -11.134 748 HD21 ASN 100 1HD2 ASN 100 -11.440 14.514 -10.279 749 HD22 ASN 100 2HD2 ASN 100 -12.182 15.775 -11.230 750 H THR 101 H THR 101 -7.424 19.123 -10.095 751 HA THR 101 HA THR 101 -6.803 17.130 -12.194 752 HB THR 101 HB THR 101 -7.289 19.580 -13.177 753 HG1 THR 101 HG1 THR 101 -5.678 19.168 -14.746 754 HG21 THR 101 1HG2 THR 101 -5.331 20.996 -13.284 755 HG22 THR 101 2HG2 THR 101 -4.392 19.839 -12.306 756 HG23 THR 101 3HG2 THR 101 -5.766 20.729 -11.585 757 HA PRO 102 HA PRO 102 -3.412 16.796 -9.358 758 HB2 PRO 102 1HB PRO 102 -1.301 16.133 -10.969 759 HB3 PRO 102 2HB PRO 102 -2.607 14.970 -10.556 760 HG2 PRO 102 1HG PRO 102 -2.257 16.678 -13.012 761 HG3 PRO 102 2HG PRO 102 -2.664 14.937 -12.895 762 HD2 PRO 102 1HD PRO 102 -4.545 16.790 -13.305 763 HD3 PRO 102 2HD PRO 102 -4.852 15.365 -12.261 764 H LYS 103 H LYS 103 -1.684 17.981 -8.481 765 HA LYS 103 HA LYS 103 -0.264 19.927 -10.161 766 HB2 LYS 103 1HB LYS 103 -0.863 21.831 -8.606 767 HB3 LYS 103 2HB LYS 103 -2.085 21.304 -9.748 768 HG2 LYS 103 1HG LYS 103 -2.992 19.871 -7.697 769 HG3 LYS 103 2HG LYS 103 -2.062 21.044 -6.756 770 HD2 LYS 103 1HD LYS 103 -4.178 22.029 -6.915 771 HD3 LYS 103 2HD LYS 103 -3.242 22.822 -8.196 772 HE2 LYS 103 1HE LYS 103 -4.214 21.153 -9.824 773 HE3 LYS 103 2HE LYS 103 -5.269 20.598 -8.519 774 HZ1 LYS 103 1HZ LYS 103 -6.173 22.889 -8.423 775 HZ2 LYS 103 2HZ LYS 103 -6.434 22.170 -9.873 776 HZ3 LYS 103 3HZ LYS 103 -5.261 23.319 -9.726 777 H ASP 104 H ASP 104 0.913 17.893 -9.297 778 HA ASP 104 HA ASP 104 1.853 17.711 -6.653 779 HB2 ASP 104 1HB ASP 104 3.560 16.283 -7.558 780 HB3 ASP 104 2HB ASP 104 2.084 16.006 -8.495 781 H HIS 105 H HIS 105 2.890 19.729 -9.322 782 HA HIS 105 HA HIS 105 5.489 20.392 -8.447 783 HB2 HIS 105 1HB HIS 105 5.435 22.108 -10.061 784 HB3 HIS 105 2HB HIS 105 4.394 20.832 -10.703 785 HD1 HIS 105 HD1 HIS 105 4.334 24.364 -9.318 786 HD2 HIS 105 HD2 HIS 105 1.642 21.556 -10.888 787 HE1 HIS 105 HE1 HIS 105 2.148 25.603 -9.785 788 H ILE 106 H ILE 106 2.586 21.246 -6.885 789 HA ILE 106 HA ILE 106 3.719 23.774 -5.836 790 HB ILE 106 HB ILE 106 1.098 22.393 -5.090 791 HG12 ILE 106 1HG1 ILE 106 1.624 24.622 -7.099 792 HG13 ILE 106 2HG1 ILE 106 1.229 22.954 -7.513 793 HG21 ILE 106 1HG2 ILE 106 0.499 24.659 -4.208 794 HG22 ILE 106 2HG2 ILE 106 2.088 25.286 -4.696 795 HG23 ILE 106 3HG2 ILE 106 1.957 24.063 -3.413 796 HD11 ILE 106 1HD1 ILE 106 -0.541 24.951 -6.131 797 HD12 ILE 106 2HD1 ILE 106 -0.918 23.213 -6.288 798 HD13 ILE 106 3HD1 ILE 106 -0.736 24.226 -7.739 799 H GLY 107 H GLY 107 3.023 20.409 -4.879 800 HA2 GLY 107 1HA GLY 107 3.630 20.873 -2.085 801 HA3 GLY 107 2HA GLY 107 3.397 19.315 -2.877 802 H THR 108 H THR 108 5.805 21.303 -4.327 803 HA THR 108 HA THR 108 7.867 19.457 -3.298 804 HB THR 108 HB THR 108 7.525 19.733 -5.767 805 HG1 THR 108 HG1 THR 108 10.009 20.431 -4.579 806 HG21 THR 108 1HG2 THR 108 7.130 22.269 -5.630 807 HG22 THR 108 2HG2 THR 108 8.195 21.692 -6.925 808 HG23 THR 108 3HG2 THR 108 8.892 22.426 -5.469 809 H ARG 109 H ARG 109 6.817 21.840 -1.701 810 HA ARG 109 HA ARG 109 8.857 23.847 -1.619 811 HB2 ARG 109 1HB ARG 109 6.671 23.991 -0.345 812 HB3 ARG 109 2HB ARG 109 7.283 22.741 0.742 813 HG2 ARG 109 1HG ARG 109 9.267 24.310 1.219 814 HG3 ARG 109 2HG ARG 109 8.361 25.564 0.370 815 HD2 ARG 109 1HD ARG 109 8.028 25.775 2.768 816 HD3 ARG 109 2HD ARG 109 6.519 25.290 1.999 817 HE ARG 109 HE ARG 109 6.595 23.236 3.082 818 HH11 ARG 109 1HH1 ARG 109 9.669 24.909 3.707 819 HH12 ARG 109 2HH1 ARG 109 10.087 23.792 4.967 820 HH21 ARG 109 1HH2 ARG 109 7.203 21.918 4.682 821 HH22 ARG 109 2HH2 ARG 109 8.741 22.118 5.502 822 H ASN 110 H ASN 110 10.931 23.766 -0.869 823 HA ASN 110 HA ASN 110 11.793 21.169 0.314 824 HB2 ASN 110 1HB ASN 110 12.912 22.649 -1.732 825 HB3 ASN 110 2HB ASN 110 13.811 23.180 -0.310 826 HD21 ASN 110 1HD2 ASN 110 14.572 19.600 -1.820 827 HD22 ASN 110 2HD2 ASN 110 13.353 20.634 -2.521 828 HA PRO 111 HA PRO 111 11.972 23.531 4.047 829 HB2 PRO 111 1HB PRO 111 13.313 21.839 5.707 830 HB3 PRO 111 2HB PRO 111 11.644 21.501 5.143 831 HG2 PRO 111 1HG PRO 111 14.249 20.470 4.054 832 HG3 PRO 111 2HG PRO 111 12.769 19.557 4.491 833 HD2 PRO 111 1HD PRO 111 13.346 20.292 1.944 834 HD3 PRO 111 2HD PRO 111 11.666 20.242 2.531 835 H ALA 112 H ALA 112 14.831 22.436 2.360 836 HA ALA 112 HA ALA 112 16.707 23.938 4.002 837 HB1 ALA 112 1HB ALA 112 17.398 21.945 2.703 838 HB2 ALA 112 2HB ALA 112 18.292 23.391 2.177 839 HB3 ALA 112 3HB ALA 112 16.950 22.770 1.188 840 H ASN 113 H ASN 113 14.559 24.604 1.351 841 HA ASN 113 HA ASN 113 16.023 27.091 0.650 842 HB2 ASN 113 1HB ASN 113 13.791 25.562 -0.730 843 HB3 ASN 113 2HB ASN 113 14.422 27.107 -1.295 844 HD21 ASN 113 1HD2 ASN 113 16.117 24.175 -2.960 845 HD22 ASN 113 2HD2 ASN 113 14.438 24.539 -2.647 846 H ASN 114 H ASN 114 13.106 26.056 2.301 847 HA ASN 114 HA ASN 114 12.449 28.861 2.843 848 HB2 ASN 114 1HB ASN 114 11.326 28.640 0.727 849 HB3 ASN 114 2HB ASN 114 10.601 27.095 1.217 850 HD21 ASN 114 1HD2 ASN 114 7.891 28.555 2.732 851 HD22 ASN 114 2HD2 ASN 114 8.633 27.218 1.890 852 H ALA 115 H ALA 115 10.956 29.168 4.528 853 HA ALA 115 HA ALA 115 10.731 26.854 6.345 854 HB1 ALA 115 1HB ALA 115 10.020 29.795 6.722 855 HB2 ALA 115 2HB ALA 115 11.552 29.023 7.205 856 HB3 ALA 115 3HB ALA 115 10.028 28.554 7.996 857 H ALA 116 H ALA 116 8.810 26.051 7.156 858 HA ALA 116 HA ALA 116 6.513 26.117 5.433 859 HB1 ALA 116 1HB ALA 116 5.504 24.610 7.067 860 HB2 ALA 116 2HB ALA 116 6.758 25.009 8.263 861 HB3 ALA 116 3HB ALA 116 7.186 24.121 6.780 862 H ILE 117 H ILE 117 4.466 26.904 5.798 863 HA ILE 117 HA ILE 117 4.350 29.403 7.361 864 HB ILE 117 HB ILE 117 2.321 28.046 5.537 865 HG12 ILE 117 1HG1 ILE 117 3.832 30.490 4.702 866 HG13 ILE 117 2HG1 ILE 117 4.680 28.948 4.642 867 HG21 ILE 117 1HG2 ILE 117 1.289 30.329 5.372 868 HG22 ILE 117 2HG2 ILE 117 2.430 30.909 6.605 869 HG23 ILE 117 3HG2 ILE 117 1.214 29.676 7.014 870 HD11 ILE 117 1HD1 ILE 117 3.649 29.459 2.500 871 HD12 ILE 117 2HD1 ILE 117 2.051 29.531 3.277 872 HD13 ILE 117 3HD1 ILE 117 2.943 27.991 3.223 873 H VAL 118 H VAL 118 3.087 29.643 9.266 874 HA VAL 118 HA VAL 118 2.145 27.346 10.713 875 HB VAL 118 HB VAL 118 1.343 30.300 10.918 876 HG11 VAL 118 1HG1 VAL 118 0.802 27.987 12.826 877 HG12 VAL 118 2HG1 VAL 118 -0.408 28.931 11.927 878 HG13 VAL 118 3HG1 VAL 118 0.544 29.703 13.209 879 HG21 VAL 118 1HG2 VAL 118 3.729 29.930 11.380 880 HG22 VAL 118 2HG2 VAL 118 3.329 28.623 12.520 881 HG23 VAL 118 3HG2 VAL 118 2.873 30.302 12.889 882 H LEU 119 H LEU 119 0.440 26.108 10.316 883 HA LEU 119 HA LEU 119 -1.288 26.670 8.099 884 HB2 LEU 119 1HB LEU 119 -0.537 24.430 9.044 885 HB3 LEU 119 2HB LEU 119 -1.749 24.632 10.299 886 HG LEU 119 HG LEU 119 -2.564 24.798 7.394 887 HD11 LEU 119 1HD1 LEU 119 -2.843 22.375 7.325 888 HD12 LEU 119 2HD1 LEU 119 -2.125 22.224 8.948 889 HD13 LEU 119 3HD1 LEU 119 -1.143 22.795 7.591 890 HD21 LEU 119 1HD2 LEU 119 -3.904 23.881 9.973 891 HD22 LEU 119 2HD2 LEU 119 -4.622 23.648 8.366 892 HD23 LEU 119 3HD2 LEU 119 -4.326 25.284 8.975 893 H GLN 120 H GLN 120 -3.148 27.730 7.991 894 HA GLN 120 HA GLN 120 -4.673 28.356 10.484 895 HB2 GLN 120 1HB GLN 120 -3.863 30.241 8.250 896 HB3 GLN 120 2HB GLN 120 -5.076 30.624 9.479 897 HG2 GLN 120 1HG GLN 120 -3.497 30.802 11.171 898 HG3 GLN 120 2HG GLN 120 -2.313 29.828 10.303 899 HE21 GLN 120 1HE2 GLN 120 -0.895 32.484 8.544 900 HE22 GLN 120 2HE2 GLN 120 -0.978 30.749 8.779 901 H LEU 121 H LEU 121 -6.940 28.854 9.931 902 HA LEU 121 HA LEU 121 -7.739 27.635 7.318 903 HB2 LEU 121 1HB LEU 121 -8.954 27.587 10.070 904 HB3 LEU 121 2HB LEU 121 -10.012 27.536 8.670 905 HG LEU 121 HG LEU 121 -7.832 25.512 9.243 906 HD11 LEU 121 1HD1 LEU 121 -10.841 25.511 9.656 907 HD12 LEU 121 2HD1 LEU 121 -9.582 25.405 10.900 908 HD13 LEU 121 3HD1 LEU 121 -9.821 24.062 9.764 909 HD21 LEU 121 1HD2 LEU 121 -8.320 25.608 6.839 910 HD22 LEU 121 2HD2 LEU 121 -10.065 25.581 7.151 911 HD23 LEU 121 3HD2 LEU 121 -9.066 24.153 7.516 912 HA PRO 122 HA PRO 122 -9.292 31.625 6.451 913 HB2 PRO 122 1HB PRO 122 -11.207 31.142 4.584 914 HB3 PRO 122 2HB PRO 122 -9.452 30.867 4.251 915 HG2 PRO 122 1HG PRO 122 -11.558 28.890 5.112 916 HG3 PRO 122 2HG PRO 122 -10.421 28.790 3.729 917 HD2 PRO 122 1HD PRO 122 -9.898 27.583 6.071 918 HD3 PRO 122 2HD PRO 122 -8.592 28.358 5.111 919 H GLN 123 H GLN 123 -11.231 32.997 6.542 920 HA GLN 123 HA GLN 123 -12.716 32.609 8.897 921 HB2 GLN 123 1HB GLN 123 -12.321 34.772 7.679 922 HB3 GLN 123 2HB GLN 123 -13.498 34.262 6.462 923 HG2 GLN 123 1HG GLN 123 -15.271 34.227 8.161 924 HG3 GLN 123 2HG GLN 123 -14.097 34.660 9.415 925 HE21 GLN 123 1HE2 GLN 123 -15.770 37.786 8.532 926 HE22 GLN 123 2HE2 GLN 123 -16.158 36.277 9.321 927 H GLY 124 H GLY 124 -14.532 31.532 9.385 928 HA2 GLY 124 1HA GLY 124 -16.708 30.681 8.865 929 HA3 GLY 124 2HA GLY 124 -16.236 30.519 7.169 930 H THR 125 H THR 125 -13.534 29.300 8.164 931 HA THR 125 HA THR 125 -14.723 26.607 8.692 932 HB THR 125 HB THR 125 -11.953 27.155 7.578 933 HG1 THR 125 HG1 THR 125 -13.592 27.978 6.183 934 HG21 THR 125 1HG2 THR 125 -12.125 24.846 6.822 935 HG22 THR 125 2HG2 THR 125 -13.790 24.725 7.406 936 HG23 THR 125 3HG2 THR 125 -12.460 24.875 8.557 937 H THR 126 H THR 126 -14.284 25.557 10.487 938 HA THR 126 HA THR 126 -12.132 26.592 12.273 939 HB THR 126 HB THR 126 -13.665 25.632 14.118 940 HG1 THR 126 HG1 THR 126 -15.833 25.491 13.543 941 HG21 THR 126 1HG2 THR 126 -14.945 27.704 14.269 942 HG22 THR 126 2HG2 THR 126 -14.626 28.056 12.555 943 HG23 THR 126 3HG2 THR 126 -13.286 28.048 13.729 944 H LEU 127 H LEU 127 -10.986 25.071 13.448 945 HA LEU 127 HA LEU 127 -10.597 22.523 12.168 946 HB2 LEU 127 1HB LEU 127 -9.754 23.489 14.901 947 HB3 LEU 127 2HB LEU 127 -9.162 22.035 14.147 948 HG LEU 127 HG LEU 127 -8.697 24.808 13.013 949 HD11 LEU 127 1HD1 LEU 127 -6.428 24.618 13.904 950 HD12 LEU 127 2HD1 LEU 127 -6.832 23.053 14.648 951 HD13 LEU 127 3HD1 LEU 127 -7.620 24.539 15.221 952 HD21 LEU 127 1HD2 LEU 127 -6.977 23.679 11.666 953 HD22 LEU 127 2HD2 LEU 127 -8.566 22.958 11.367 954 HD23 LEU 127 3HD2 LEU 127 -7.398 22.116 12.407 955 HA PRO 128 HA PRO 128 -13.721 20.287 14.276 956 HB2 PRO 128 1HB PRO 128 -12.760 17.746 14.437 957 HB3 PRO 128 2HB PRO 128 -13.167 18.506 12.865 958 HG2 PRO 128 1HG PRO 128 -10.522 18.216 14.205 959 HG3 PRO 128 2HG PRO 128 -10.992 17.856 12.518 960 HD2 PRO 128 1HD PRO 128 -9.752 20.176 13.267 961 HD3 PRO 128 2HD PRO 128 -10.910 20.121 11.909 962 H LYS 129 H LYS 129 -14.061 18.763 16.284 963 HA LYS 129 HA LYS 129 -13.005 20.232 18.485 964 HB2 LYS 129 1HB LYS 129 -15.186 18.973 18.406 965 HB3 LYS 129 2HB LYS 129 -14.263 17.472 18.569 966 HG2 LYS 129 1HG LYS 129 -13.386 18.236 20.737 967 HG3 LYS 129 2HG LYS 129 -14.276 19.764 20.558 968 HD2 LYS 129 1HD LYS 129 -16.385 18.483 20.426 969 HD3 LYS 129 2HD LYS 129 -15.470 16.988 20.708 970 HE2 LYS 129 1HE LYS 129 -14.708 17.857 22.888 971 HE3 LYS 129 2HE LYS 129 -15.587 19.374 22.597 972 HZ1 LYS 129 1HZ LYS 129 -17.646 18.110 22.555 973 HZ2 LYS 129 2HZ LYS 129 -16.863 17.857 23.984 974 HZ3 LYS 129 3HZ LYS 129 -16.840 16.695 22.812 975 H GLY 130 H GLY 130 -11.154 20.114 19.483 976 HA2 GLY 130 1HA GLY 130 -9.362 19.071 20.560 977 HA3 GLY 130 2HA GLY 130 -9.834 17.535 19.842 978 H PHE 131 H PHE 131 -8.940 20.656 18.256 979 HA PHE 131 HA PHE 131 -6.418 19.392 17.355 980 HB2 PHE 131 1HB PHE 131 -8.777 19.843 15.682 981 HB3 PHE 131 2HB PHE 131 -7.360 20.716 15.089 982 HD1 PHE 131 HD1 PHE 131 -5.302 19.512 14.452 983 HD2 PHE 131 HD2 PHE 131 -8.883 17.437 15.616 984 HE1 PHE 131 HE1 PHE 131 -4.403 17.410 13.462 985 HE2 PHE 131 HE2 PHE 131 -7.996 15.347 14.632 986 HZ PHE 131 HZ PHE 131 -5.747 15.335 13.550 987 H TYR 132 H TYR 132 -4.800 20.829 16.783 988 HA TYR 132 HA TYR 132 -5.452 23.695 16.598 989 HB2 TYR 132 1HB TYR 132 -3.870 24.415 18.249 990 HB3 TYR 132 2HB TYR 132 -5.027 23.336 19.025 991 HD1 TYR 132 HD1 TYR 132 -1.508 23.871 18.109 992 HD2 TYR 132 HD2 TYR 132 -4.302 21.022 19.733 993 HE1 TYR 132 HE1 TYR 132 0.381 22.543 19.042 994 HE2 TYR 132 HE2 TYR 132 -2.399 19.706 20.665 995 HH TYR 132 HH TYR 132 -0.142 19.601 20.987 996 H ALA 133 H ALA 133 -3.399 24.883 15.871 997 HA ALA 133 HA ALA 133 -1.943 23.067 14.010 998 HB1 ALA 133 1HB ALA 133 -3.308 24.830 12.939 999 HB2 ALA 133 2HB ALA 133 -1.573 25.087 12.652 1000 HB3 ALA 133 3HB ALA 133 -2.427 26.066 13.858 1001 H GLU 134 H GLU 134 0.269 23.173 13.796 1002 HA GLU 134 HA GLU 134 1.684 23.870 16.228 1003 HB2 GLU 134 1HB GLU 134 2.418 22.014 14.851 1004 HB3 GLU 134 2HB GLU 134 2.585 23.057 13.452 1005 HG2 GLU 134 1HG GLU 134 4.775 22.611 14.234 1006 HG3 GLU 134 2HG GLU 134 4.422 24.289 14.666 1007 H GLY 135 H GLY 135 2.704 25.698 16.771 1008 HA2 GLY 135 1HA GLY 135 3.726 27.775 16.469 1009 HA3 GLY 135 2HA GLY 135 3.352 27.724 14.744 1010 H SER 136 H SER 136 0.403 27.047 15.790 1011 HA SER 136 HA SER 136 -0.400 29.876 15.696 1012 HB2 SER 136 1HB SER 136 -1.675 28.117 14.478 1013 HB3 SER 136 2HB SER 136 -2.087 27.366 16.036 1014 HG SER 136 HG SER 136 -3.697 28.833 15.186 1015 H ARG 137 H ARG 137 -0.686 31.092 17.440 1016 HA ARG 137 HA ARG 137 -0.694 31.754 19.622 1017 HB2 ARG 137 1HB ARG 137 -3.041 30.772 19.247 1018 HB3 ARG 137 2HB ARG 137 -2.477 29.369 20.162 1019 HG2 ARG 137 1HG ARG 137 -3.301 30.530 21.918 1020 HG3 ARG 137 2HG ARG 137 -1.722 31.328 21.845 1021 HD2 ARG 137 1HD ARG 137 -2.741 33.092 20.391 1022 HD3 ARG 137 2HD ARG 137 -4.327 32.346 20.670 1023 HE ARG 137 HE ARG 137 -2.717 33.917 22.559 1024 HH11 ARG 137 1HH1 ARG 137 -5.439 31.680 22.286 1025 HH12 ARG 137 2HH1 ARG 137 -6.104 32.162 23.823 1026 HH21 ARG 137 1HH2 ARG 137 -3.627 34.474 24.504 1027 HH22 ARG 137 2HH2 ARG 137 -5.094 33.713 25.052 1028 H GLY 138 H GLY 138 1.563 30.323 18.979 1029 HA2 GLY 138 1HA GLY 138 2.129 28.170 20.756 1030 HA3 GLY 138 2HA GLY 138 3.333 29.225 19.984 1031 H GLY 139 H GLY 139 3.128 28.102 22.776 1032 HA2 GLY 139 1HA GLY 139 4.064 30.338 24.236 1033 HA3 GLY 139 2HA GLY 139 2.341 30.083 24.627 1034 H SER 140 H SER 140 3.202 29.474 26.809 1035 HA SER 140 HA SER 140 4.630 26.918 26.998 1036 HB2 SER 140 1HB SER 140 3.296 28.605 29.152 1037 HB3 SER 140 2HB SER 140 4.463 27.288 29.403 1038 HG SER 140 HG SER 140 5.883 28.636 28.003 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 2.291 -4.708 7.066 2 H2 GLY 1 2H GLY 1 2.063 -3.083 6.894 3 H3 GLY 1 3H GLY 1 1.947 -3.776 8.384 4 HA2 GLY 1 1HA GLY 1 4.275 -4.363 8.360 5 HA3 GLY 1 2HA GLY 1 4.395 -3.610 6.756 6 H ALA 2 H ALA 2 6.157 -2.448 8.265 7 HA ALA 2 HA ALA 2 5.004 -0.339 9.933 8 HB1 ALA 2 1HB ALA 2 7.257 -1.293 10.423 9 HB2 ALA 2 2HB ALA 2 7.358 0.449 10.080 10 HB3 ALA 2 3HB ALA 2 7.838 -0.728 8.836 11 H MET 3 H MET 3 4.275 1.591 9.174 12 HA MET 3 HA MET 3 4.340 2.064 6.294 13 HB2 MET 3 1HB MET 3 3.170 3.817 8.481 14 HB3 MET 3 2HB MET 3 2.799 3.861 6.752 15 HG2 MET 3 1HG MET 3 2.116 1.650 8.718 16 HG3 MET 3 2HG MET 3 0.996 2.773 7.938 17 HE1 MET 3 1HE MET 3 -0.116 -0.477 6.154 18 HE2 MET 3 2HE MET 3 -0.624 1.005 6.996 19 HE3 MET 3 3HE MET 3 0.288 -0.247 7.874 20 H GLY 4 H GLY 4 6.926 2.182 6.950 21 HA2 GLY 4 1HA GLY 4 7.706 4.966 7.569 22 HA3 GLY 4 2HA GLY 4 8.784 3.583 7.294 23 H LEU 5 H LEU 5 6.147 4.865 5.299 24 HA LEU 5 HA LEU 5 7.488 4.392 2.862 25 HB2 LEU 5 1HB LEU 5 5.218 6.325 3.445 26 HB3 LEU 5 2HB LEU 5 5.625 5.651 1.866 27 HG LEU 5 HG LEU 5 4.641 4.054 4.267 28 HD11 LEU 5 1HD1 LEU 5 2.549 3.840 2.983 29 HD12 LEU 5 2HD1 LEU 5 3.206 4.916 1.733 30 HD13 LEU 5 3HD1 LEU 5 2.910 5.531 3.378 31 HD21 LEU 5 1HD2 LEU 5 4.307 2.231 2.588 32 HD22 LEU 5 2HD2 LEU 5 6.014 2.639 2.845 33 HD23 LEU 5 3HD2 LEU 5 5.169 3.218 1.388 34 HA PRO 6 HA PRO 6 10.068 7.919 2.438 35 HB2 PRO 6 1HB PRO 6 10.329 8.151 -0.268 36 HB3 PRO 6 2HB PRO 6 11.025 6.769 0.641 37 HG2 PRO 6 1HG PRO 6 8.393 6.925 -0.822 38 HG3 PRO 6 2HG PRO 6 9.700 5.706 -0.987 39 HD2 PRO 6 1HD PRO 6 7.568 5.248 0.582 40 HD3 PRO 6 2HD PRO 6 9.209 4.734 1.094 41 H ASN 7 H ASN 7 10.113 10.129 1.968 42 HA ASN 7 HA ASN 7 7.817 11.351 0.565 43 HB2 ASN 7 1HB ASN 7 7.099 11.162 2.939 44 HB3 ASN 7 2HB ASN 7 8.557 12.033 3.439 45 HD21 ASN 7 1HD2 ASN 7 6.817 15.016 3.244 46 HD22 ASN 7 2HD2 ASN 7 7.820 13.924 4.172 47 H ASN 8 H ASN 8 9.244 12.137 -0.987 48 HA ASN 8 HA ASN 8 11.433 13.930 -0.010 49 HB2 ASN 8 1HB ASN 8 11.955 11.935 -1.553 50 HB3 ASN 8 2HB ASN 8 11.122 12.845 -2.822 51 HD21 ASN 8 1HD2 ASN 8 14.056 14.529 -3.598 52 HD22 ASN 8 2HD2 ASN 8 12.582 13.756 -4.121 53 H THR 9 H THR 9 8.810 14.799 0.160 54 HA THR 9 HA THR 9 8.719 17.077 -1.677 55 HB THR 9 HB THR 9 6.098 16.576 -1.600 56 HG1 THR 9 HG1 THR 9 6.432 14.641 -0.282 57 HG21 THR 9 1HG2 THR 9 6.166 15.352 -3.726 58 HG22 THR 9 2HG2 THR 9 7.872 14.937 -3.453 59 HG23 THR 9 3HG2 THR 9 7.397 16.634 -3.707 60 H ALA 10 H ALA 10 7.374 18.631 -0.411 61 HA ALA 10 HA ALA 10 6.971 17.831 2.414 62 HB1 ALA 10 1HB ALA 10 9.274 18.852 2.151 63 HB2 ALA 10 2HB ALA 10 8.205 19.691 3.298 64 HB3 ALA 10 3HB ALA 10 8.472 20.367 1.675 65 H SER 11 H SER 11 5.332 18.729 3.439 66 HA SER 11 HA SER 11 3.292 20.104 1.970 67 HB2 SER 11 1HB SER 11 2.749 20.500 4.641 68 HB3 SER 11 2HB SER 11 2.341 19.018 3.743 69 HG SER 11 HG SER 11 3.631 18.794 5.759 70 H TRP 12 H TRP 12 2.741 22.276 2.012 71 HA TRP 12 HA TRP 12 4.854 24.147 2.481 72 HB2 TRP 12 1HB TRP 12 2.088 24.262 1.473 73 HB3 TRP 12 2HB TRP 12 2.687 25.737 2.252 74 HD1 TRP 12 HD1 TRP 12 3.081 23.707 -0.891 75 HE1 TRP 12 HE1 TRP 12 4.697 24.787 -2.509 76 HE3 TRP 12 HE3 TRP 12 4.971 27.225 2.288 77 HZ2 TRP 12 HZ2 TRP 12 6.596 26.922 -2.450 78 HZ3 TRP 12 HZ3 TRP 12 6.755 28.771 1.444 79 HH2 TRP 12 HH2 TRP 12 7.543 28.615 -0.918 80 H PHE 13 H PHE 13 2.479 22.865 4.593 81 HA PHE 13 HA PHE 13 2.840 25.199 6.390 82 HB2 PHE 13 1HB PHE 13 0.442 23.372 6.251 83 HB3 PHE 13 2HB PHE 13 0.584 24.913 7.108 84 HD1 PHE 13 HD1 PHE 13 -0.113 23.263 3.947 85 HD2 PHE 13 HD2 PHE 13 0.703 27.046 5.813 86 HE1 PHE 13 HE1 PHE 13 -0.909 24.426 1.919 87 HE2 PHE 13 HE2 PHE 13 -0.074 28.225 3.762 88 HZ PHE 13 HZ PHE 13 -0.854 26.895 1.798 89 H THR 14 H THR 14 2.499 24.871 8.629 90 HA THR 14 HA THR 14 4.119 22.727 9.624 91 HB THR 14 HB THR 14 3.511 23.640 11.848 92 HG1 THR 14 HG1 THR 14 2.030 25.254 12.031 93 HG21 THR 14 1HG2 THR 14 4.435 25.887 11.564 94 HG22 THR 14 2HG2 THR 14 4.160 25.795 9.814 95 HG23 THR 14 3HG2 THR 14 5.331 24.706 10.588 96 H ALA 15 H ALA 15 3.455 21.314 11.432 97 HA ALA 15 HA ALA 15 1.301 19.660 10.471 98 HB1 ALA 15 1HB ALA 15 2.121 18.053 11.972 99 HB2 ALA 15 2HB ALA 15 2.758 19.276 13.098 100 HB3 ALA 15 3HB ALA 15 3.574 18.980 11.550 101 H LEU 16 H LEU 16 -0.733 19.449 11.156 102 HA LEU 16 HA LEU 16 -1.663 20.934 13.534 103 HB2 LEU 16 1HB LEU 16 -2.882 19.226 11.371 104 HB3 LEU 16 2HB LEU 16 -3.752 19.484 12.867 105 HG LEU 16 HG LEU 16 -4.135 21.712 12.450 106 HD11 LEU 16 1HD1 LEU 16 -3.002 23.060 10.815 107 HD12 LEU 16 2HD1 LEU 16 -1.926 21.708 10.426 108 HD13 LEU 16 3HD1 LEU 16 -1.900 22.464 12.030 109 HD21 LEU 16 1HD2 LEU 16 -5.397 20.297 10.961 110 HD22 LEU 16 2HD2 LEU 16 -4.075 20.342 9.773 111 HD23 LEU 16 3HD2 LEU 16 -4.989 21.823 10.148 112 H THR 17 H THR 17 -2.350 19.898 15.413 113 HA THR 17 HA THR 17 -1.445 17.050 15.673 114 HB THR 17 HB THR 17 -1.151 19.303 17.702 115 HG1 THR 17 HG1 THR 17 0.337 19.490 16.011 116 HG21 THR 17 1HG2 THR 17 -0.293 16.391 17.720 117 HG22 THR 17 2HG2 THR 17 -1.429 17.199 18.839 118 HG23 THR 17 3HG2 THR 17 0.299 17.621 18.861 119 H GLN 18 H GLN 18 -2.905 15.719 16.507 120 HA GLN 18 HA GLN 18 -5.488 16.864 17.430 121 HB2 GLN 18 1HB GLN 18 -5.542 15.158 15.672 122 HB3 GLN 18 2HB GLN 18 -4.578 14.079 16.647 123 HG2 GLN 18 1HG GLN 18 -6.875 13.323 16.625 124 HG3 GLN 18 2HG GLN 18 -6.426 13.804 18.255 125 HE21 GLN 18 1HE2 GLN 18 -9.768 15.215 16.767 126 HE22 GLN 18 2HE2 GLN 18 -8.932 13.739 16.301 127 H HIS 19 H HIS 19 -6.250 16.676 19.448 128 HA HIS 19 HA HIS 19 -5.017 14.601 21.228 129 HB2 HIS 19 1HB HIS 19 -4.287 16.889 21.939 130 HB3 HIS 19 2HB HIS 19 -5.981 17.377 22.042 131 HD1 HIS 19 HD1 HIS 19 -3.349 15.382 23.859 132 HD2 HIS 19 HD2 HIS 19 -7.388 16.329 24.235 133 HE1 HIS 19 HE1 HIS 19 -4.049 14.701 26.194 134 H GLY 20 H GLY 20 -6.625 13.098 20.915 135 HA2 GLY 20 1HA GLY 20 -9.130 13.290 22.111 136 HA3 GLY 20 2HA GLY 20 -9.358 13.855 20.437 137 H LYS 21 H LYS 21 -10.750 11.833 20.378 138 HA LYS 21 HA LYS 21 -9.108 9.358 20.065 139 HB2 LYS 21 1HB LYS 21 -12.096 9.767 20.410 140 HB3 LYS 21 2HB LYS 21 -11.325 8.208 20.099 141 HG2 LYS 21 1HG LYS 21 -9.988 8.480 22.186 142 HG3 LYS 21 2HG LYS 21 -10.873 9.982 22.525 143 HD2 LYS 21 1HD LYS 21 -13.001 8.708 22.539 144 HD3 LYS 21 2HD LYS 21 -12.091 7.210 22.234 145 HE2 LYS 21 1HE LYS 21 -10.828 7.564 24.346 146 HE3 LYS 21 2HE LYS 21 -11.776 9.033 24.658 147 HZ1 LYS 21 1HZ LYS 21 -13.769 7.652 24.727 148 HZ2 LYS 21 2HZ LYS 21 -12.673 7.126 25.842 149 HZ3 LYS 21 3HZ LYS 21 -12.886 6.289 24.437 150 H GLU 22 H GLU 22 -11.123 11.581 18.245 151 HA GLU 22 HA GLU 22 -11.315 9.801 15.922 152 HB2 GLU 22 1HB GLU 22 -11.873 12.769 16.280 153 HB3 GLU 22 2HB GLU 22 -12.200 11.853 14.805 154 HG2 GLU 22 1HG GLU 22 -13.780 10.422 16.047 155 HG3 GLU 22 2HG GLU 22 -13.461 11.352 17.522 156 H ASP 23 H ASP 23 -10.241 10.465 13.819 157 HA ASP 23 HA ASP 23 -7.472 11.189 14.458 158 HB2 ASP 23 1HB ASP 23 -8.698 9.479 12.612 159 HB3 ASP 23 2HB ASP 23 -8.027 10.770 11.628 160 H LEU 24 H LEU 24 -9.691 12.282 11.832 161 HA LEU 24 HA LEU 24 -9.538 15.066 12.404 162 HB2 LEU 24 1HB LEU 24 -7.200 14.929 11.578 163 HB3 LEU 24 2HB LEU 24 -7.748 14.109 10.128 164 HG LEU 24 HG LEU 24 -8.897 16.127 9.367 165 HD11 LEU 24 1HD1 LEU 24 -7.743 17.611 11.757 166 HD12 LEU 24 2HD1 LEU 24 -9.446 17.153 11.604 167 HD13 LEU 24 3HD1 LEU 24 -8.730 18.281 10.445 168 HD21 LEU 24 1HD2 LEU 24 -6.931 17.516 8.930 169 HD22 LEU 24 2HD2 LEU 24 -6.562 15.788 8.766 170 HD23 LEU 24 3HD2 LEU 24 -6.044 16.669 10.222 171 H LYS 25 H LYS 25 -11.144 16.083 11.127 172 HA LYS 25 HA LYS 25 -11.911 14.908 8.569 173 HB2 LYS 25 1HB LYS 25 -13.117 13.629 10.503 174 HB3 LYS 25 2HB LYS 25 -14.077 15.097 10.687 175 HG2 LYS 25 1HG LYS 25 -13.851 14.043 7.920 176 HG3 LYS 25 2HG LYS 25 -14.694 12.995 9.073 177 HD2 LYS 25 1HD LYS 25 -16.219 14.841 9.661 178 HD3 LYS 25 2HD LYS 25 -15.367 15.911 8.530 179 HE2 LYS 25 1HE LYS 25 -17.352 15.071 7.438 180 HE3 LYS 25 2HE LYS 25 -15.923 14.338 6.675 181 HZ1 LYS 25 1HZ LYS 25 -17.648 12.687 7.121 182 HZ2 LYS 25 2HZ LYS 25 -17.624 13.035 8.735 183 HZ3 LYS 25 3HZ LYS 25 -16.304 12.354 8.019 184 H PHE 26 H PHE 26 -12.773 16.526 7.254 185 HA PHE 26 HA PHE 26 -13.581 19.061 8.620 186 HB2 PHE 26 1HB PHE 26 -11.950 18.616 6.103 187 HB3 PHE 26 2HB PHE 26 -12.843 20.115 6.370 188 HD1 PHE 26 HD1 PHE 26 -12.496 20.795 9.144 189 HD2 PHE 26 HD2 PHE 26 -9.624 19.070 6.417 190 HE1 PHE 26 HE1 PHE 26 -10.647 21.715 10.507 191 HE2 PHE 26 HE2 PHE 26 -7.786 19.951 7.829 192 HZ PHE 26 HZ PHE 26 -8.281 21.279 9.859 193 HA PRO 27 HA PRO 27 -17.378 18.509 6.444 194 HB2 PRO 27 1HB PRO 27 -18.237 21.094 6.069 195 HB3 PRO 27 2HB PRO 27 -18.222 20.303 7.675 196 HG2 PRO 27 1HG PRO 27 -16.265 22.165 6.488 197 HG3 PRO 27 2HG PRO 27 -16.983 22.165 8.111 198 HD2 PRO 27 1HD PRO 27 -14.504 21.201 7.586 199 HD3 PRO 27 2HD PRO 27 -15.563 20.496 8.856 200 H ARG 28 H ARG 28 -18.426 18.770 4.340 201 HA ARG 28 HA ARG 28 -16.593 18.681 2.173 202 HB2 ARG 28 1HB ARG 28 -18.970 17.646 2.483 203 HB3 ARG 28 2HB ARG 28 -19.574 19.218 1.956 204 HG2 ARG 28 1HG ARG 28 -19.554 17.998 -0.017 205 HG3 ARG 28 2HG ARG 28 -18.010 18.864 -0.097 206 HD2 ARG 28 1HD ARG 28 -17.459 16.655 -0.659 207 HD3 ARG 28 2HD ARG 28 -16.979 16.787 1.026 208 HE ARG 28 HE ARG 28 -18.684 15.312 1.637 209 HH11 ARG 28 1HH1 ARG 28 -19.044 16.080 -1.797 210 HH12 ARG 28 2HH1 ARG 28 -20.181 14.787 -2.057 211 HH21 ARG 28 1HH2 ARG 28 -20.148 13.689 1.217 212 HH22 ARG 28 2HH2 ARG 28 -20.796 13.470 -0.384 213 H GLY 29 H GLY 29 -15.911 20.210 0.713 214 HA2 GLY 29 1HA GLY 29 -15.897 22.204 -0.480 215 HA3 GLY 29 2HA GLY 29 -17.409 22.673 0.317 216 H GLN 30 H GLN 30 -14.966 21.631 2.460 217 HA GLN 30 HA GLN 30 -13.927 24.347 2.992 218 HB2 GLN 30 1HB GLN 30 -16.011 22.887 4.506 219 HB3 GLN 30 2HB GLN 30 -14.658 23.433 5.491 220 HG2 GLN 30 1HG GLN 30 -15.029 25.729 4.718 221 HG3 GLN 30 2HG GLN 30 -16.428 25.169 3.778 222 HE21 GLN 30 1HE2 GLN 30 -16.656 25.579 7.822 223 HE22 GLN 30 2HE2 GLN 30 -15.118 25.744 6.978 224 H GLY 31 H GLY 31 -12.350 24.172 4.868 225 HA2 GLY 31 1HA GLY 31 -11.070 22.745 6.330 226 HA3 GLY 31 2HA GLY 31 -11.274 21.413 5.192 227 H VAL 32 H VAL 32 -10.697 23.519 2.982 228 HA VAL 32 HA VAL 32 -7.893 22.937 2.759 229 HB VAL 32 HB VAL 32 -9.577 25.094 1.355 230 HG11 VAL 32 1HG1 VAL 32 -7.804 25.027 -0.341 231 HG12 VAL 32 2HG1 VAL 32 -6.841 23.995 0.725 232 HG13 VAL 32 3HG1 VAL 32 -7.261 25.658 1.208 233 HG21 VAL 32 1HG2 VAL 32 -9.636 23.517 -0.531 234 HG22 VAL 32 2HG2 VAL 32 -10.411 22.827 0.909 235 HG23 VAL 32 3HG2 VAL 32 -8.771 22.310 0.443 236 HA PRO 33 HA PRO 33 -6.728 26.178 5.559 237 HB2 PRO 33 1HB PRO 33 -4.027 25.960 5.367 238 HB3 PRO 33 2HB PRO 33 -5.036 24.722 6.174 239 HG2 PRO 33 1HG PRO 33 -3.911 24.729 3.427 240 HG3 PRO 33 2HG PRO 33 -3.919 23.437 4.653 241 HD2 PRO 33 1HD PRO 33 -5.672 23.493 2.638 242 HD3 PRO 33 2HD PRO 33 -6.064 22.820 4.249 243 H ILE 34 H ILE 34 -5.362 28.201 5.509 244 HA ILE 34 HA ILE 34 -5.867 29.603 3.029 245 HB ILE 34 HB ILE 34 -4.230 30.389 5.466 246 HG12 ILE 34 1HG1 ILE 34 -7.016 31.192 4.569 247 HG13 ILE 34 2HG1 ILE 34 -6.660 30.000 5.820 248 HG21 ILE 34 1HG2 ILE 34 -5.227 32.160 3.183 249 HG22 ILE 34 2HG2 ILE 34 -3.541 31.626 3.379 250 HG23 ILE 34 3HG2 ILE 34 -4.269 32.677 4.595 251 HD11 ILE 34 1HD1 ILE 34 -5.468 31.757 7.088 252 HD12 ILE 34 2HD1 ILE 34 -7.205 32.041 6.879 253 HD13 ILE 34 3HD1 ILE 34 -6.043 32.933 5.882 254 H ASN 35 H ASN 35 -4.825 29.162 1.313 255 HA ASN 35 HA ASN 35 -1.988 28.317 1.478 256 HB2 ASN 35 1HB ASN 35 -3.918 28.163 -0.829 257 HB3 ASN 35 2HB ASN 35 -2.258 27.598 -0.861 258 HD21 ASN 35 1HD2 ASN 35 -5.062 25.093 0.207 259 HD22 ASN 35 2HD2 ASN 35 -5.307 26.575 -0.690 260 H THR 36 H THR 36 -1.102 30.349 1.875 261 HA THR 36 HA THR 36 -1.581 32.658 0.238 262 HB THR 36 HB THR 36 0.499 33.504 1.309 263 HG1 THR 36 HG1 THR 36 1.739 32.117 2.525 264 HG21 THR 36 1HG2 THR 36 -1.096 31.853 3.296 265 HG22 THR 36 2HG2 THR 36 -1.679 33.386 2.597 266 HG23 THR 36 3HG2 THR 36 -0.215 33.366 3.604 267 H ASN 37 H ASN 37 0.152 29.816 -0.314 268 HA ASN 37 HA ASN 37 1.940 31.069 -2.346 269 HB2 ASN 37 1HB ASN 37 3.284 29.024 -2.118 270 HB3 ASN 37 2HB ASN 37 3.027 29.781 -0.539 271 HD21 ASN 37 1HD2 ASN 37 1.311 27.083 0.848 272 HD22 ASN 37 2HD2 ASN 37 1.899 28.721 1.033 273 H SER 38 H SER 38 -1.059 30.174 -2.679 274 HA SER 38 HA SER 38 -0.494 28.480 -5.069 275 HB2 SER 38 1HB SER 38 -2.745 27.937 -3.121 276 HB3 SER 38 2HB SER 38 -2.244 26.948 -4.496 277 HG SER 38 HG SER 38 -0.095 27.145 -3.128 278 H SER 39 H SER 39 -1.996 28.462 -6.722 279 HA SER 39 HA SER 39 -3.477 30.929 -7.128 280 HB2 SER 39 1HB SER 39 -3.338 28.309 -8.672 281 HB3 SER 39 2HB SER 39 -4.048 29.817 -9.284 282 HG SER 39 HG SER 39 -2.046 30.764 -9.244 283 HA PRO 40 HA PRO 40 -7.298 29.659 -5.531 284 HB2 PRO 40 1HB PRO 40 -9.269 30.282 -7.331 285 HB3 PRO 40 2HB PRO 40 -8.369 31.520 -6.395 286 HG2 PRO 40 1HG PRO 40 -7.845 30.535 -9.193 287 HG3 PRO 40 2HG PRO 40 -8.031 32.221 -8.607 288 HD2 PRO 40 1HD PRO 40 -5.594 31.155 -8.946 289 HD3 PRO 40 2HD PRO 40 -5.938 32.190 -7.516 290 H ASP 41 H ASP 41 -6.624 28.384 -8.794 291 HA ASP 41 HA ASP 41 -8.607 26.281 -8.553 292 HB2 ASP 41 1HB ASP 41 -7.697 25.373 -10.531 293 HB3 ASP 41 2HB ASP 41 -7.693 27.130 -10.737 294 H ASP 42 H ASP 42 -5.357 26.808 -7.503 295 HA ASP 42 HA ASP 42 -4.526 24.059 -7.195 296 HB2 ASP 42 1HB ASP 42 -3.436 26.754 -6.499 297 HB3 ASP 42 2HB ASP 42 -2.762 25.339 -5.708 298 H GLN 43 H GLN 43 -6.642 25.932 -5.351 299 HA GLN 43 HA GLN 43 -5.837 25.390 -2.682 300 HB2 GLN 43 1HB GLN 43 -8.616 25.744 -3.833 301 HB3 GLN 43 2HB GLN 43 -8.184 25.888 -2.132 302 HG2 GLN 43 1HG GLN 43 -7.215 27.662 -4.382 303 HG3 GLN 43 2HG GLN 43 -8.393 28.100 -3.148 304 HE21 GLN 43 1HE2 GLN 43 -4.528 28.783 -2.577 305 HE22 GLN 43 2HE2 GLN 43 -5.290 28.461 -4.116 306 H ILE 44 H ILE 44 -7.577 23.268 -4.921 307 HA ILE 44 HA ILE 44 -8.678 21.490 -3.009 308 HB ILE 44 HB ILE 44 -9.324 21.583 -5.367 309 HG12 ILE 44 1HG1 ILE 44 -8.284 18.805 -4.885 310 HG13 ILE 44 2HG1 ILE 44 -9.584 19.503 -3.913 311 HG21 ILE 44 1HG2 ILE 44 -7.224 22.018 -6.449 312 HG22 ILE 44 2HG2 ILE 44 -7.879 20.509 -7.093 313 HG23 ILE 44 3HG2 ILE 44 -6.570 20.452 -5.918 314 HD11 ILE 44 1HD1 ILE 44 -10.562 18.200 -5.729 315 HD12 ILE 44 2HD1 ILE 44 -9.628 19.100 -6.936 316 HD13 ILE 44 3HD1 ILE 44 -10.904 19.917 -6.004 317 H GLY 45 H GLY 45 -8.007 19.646 -1.991 318 HA2 GLY 45 1HA GLY 45 -5.580 18.275 -2.546 319 HA3 GLY 45 2HA GLY 45 -5.254 19.503 -1.311 320 H TYR 46 H TYR 46 -4.762 17.813 0.173 321 HA TYR 46 HA TYR 46 -7.167 16.914 1.601 322 HB2 TYR 46 1HB TYR 46 -6.564 14.563 1.574 323 HB3 TYR 46 2HB TYR 46 -6.761 15.119 -0.081 324 HD1 TYR 46 HD1 TYR 46 -4.752 15.436 -1.544 325 HD2 TYR 46 HD2 TYR 46 -4.477 13.857 2.447 326 HE1 TYR 46 HE1 TYR 46 -2.467 14.582 -2.060 327 HE2 TYR 46 HE2 TYR 46 -2.187 12.969 1.896 328 HH TYR 46 HH TYR 46 -0.507 12.840 0.341 329 H TYR 47 H TYR 47 -6.360 15.695 3.670 330 HA TYR 47 HA TYR 47 -3.685 16.835 4.436 331 HB2 TYR 47 1HB TYR 47 -6.062 16.172 6.155 332 HB3 TYR 47 2HB TYR 47 -4.459 16.455 6.790 333 HD1 TYR 47 HD1 TYR 47 -3.903 18.555 7.569 334 HD2 TYR 47 HD2 TYR 47 -6.983 18.247 4.570 335 HE1 TYR 47 HE1 TYR 47 -4.398 20.982 7.793 336 HE2 TYR 47 HE2 TYR 47 -7.449 20.660 4.822 337 HH TYR 47 HH TYR 47 -7.036 22.565 6.038 338 H ARG 48 H ARG 48 -2.206 15.478 5.244 339 HA ARG 48 HA ARG 48 -2.832 12.560 5.008 340 HB2 ARG 48 1HB ARG 48 -1.159 13.711 3.432 341 HB3 ARG 48 2HB ARG 48 -0.119 13.925 4.832 342 HG2 ARG 48 1HG ARG 48 0.037 11.517 5.140 343 HG3 ARG 48 2HG ARG 48 -1.136 11.246 3.843 344 HD2 ARG 48 1HD ARG 48 0.414 12.412 2.266 345 HD3 ARG 48 2HD ARG 48 1.618 12.487 3.564 346 HE ARG 48 HE ARG 48 0.883 10.180 1.941 347 HH11 ARG 48 1HH1 ARG 48 2.305 11.089 5.047 348 HH12 ARG 48 2HH1 ARG 48 3.201 9.599 5.169 349 HH21 ARG 48 1HH2 ARG 48 2.049 8.307 2.180 350 HH22 ARG 48 2HH2 ARG 48 3.050 8.056 3.581 351 H ARG 49 H ARG 49 -2.620 11.325 6.742 352 HA ARG 49 HA ARG 49 -1.862 12.384 9.322 353 HB2 ARG 49 1HB ARG 49 -3.406 10.417 8.714 354 HB3 ARG 49 2HB ARG 49 -1.938 9.474 8.455 355 HG2 ARG 49 1HG ARG 49 -1.313 9.964 10.854 356 HG3 ARG 49 2HG ARG 49 -2.912 10.720 11.036 357 HD2 ARG 49 1HD ARG 49 -3.724 8.444 9.937 358 HD3 ARG 49 2HD ARG 49 -2.199 7.831 10.594 359 HE ARG 49 HE ARG 49 -4.598 8.741 12.059 360 HH11 ARG 49 1HH1 ARG 49 -1.208 7.749 12.387 361 HH12 ARG 49 2HH1 ARG 49 -1.393 7.435 14.090 362 HH21 ARG 49 1HH2 ARG 49 -4.733 8.378 14.161 363 HH22 ARG 49 2HH2 ARG 49 -3.377 7.778 15.092 364 H ALA 50 H ALA 50 0.063 12.176 10.453 365 HA ALA 50 HA ALA 50 2.274 10.642 9.193 366 HB1 ALA 50 1HB ALA 50 2.546 12.950 8.369 367 HB2 ALA 50 2HB ALA 50 3.821 12.570 9.552 368 HB3 ALA 50 3HB ALA 50 2.430 13.574 10.031 369 H THR 51 H THR 51 3.427 9.540 10.657 370 HA THR 51 HA THR 51 3.750 10.486 13.420 371 HB THR 51 HB THR 51 3.118 7.921 14.045 372 HG1 THR 51 HG1 THR 51 2.419 7.479 11.893 373 HG21 THR 51 1HG2 THR 51 1.025 8.648 14.936 374 HG22 THR 51 2HG2 THR 51 0.916 9.975 13.762 375 HG23 THR 51 3HG2 THR 51 2.147 10.022 15.049 376 H ARG 52 H ARG 52 5.820 9.937 14.019 377 HA ARG 52 HA ARG 52 6.922 7.428 12.793 378 HB2 ARG 52 1HB ARG 52 7.814 9.864 12.026 379 HB3 ARG 52 2HB ARG 52 8.806 9.651 13.471 380 HG2 ARG 52 1HG ARG 52 10.113 8.833 11.661 381 HG3 ARG 52 2HG ARG 52 9.509 7.384 12.489 382 HD2 ARG 52 1HD ARG 52 7.686 7.198 10.798 383 HD3 ARG 52 2HD ARG 52 8.302 8.639 9.983 384 HE ARG 52 HE ARG 52 9.798 6.054 10.218 385 HH11 ARG 52 1HH1 ARG 52 9.045 8.958 8.342 386 HH12 ARG 52 2HH1 ARG 52 10.008 8.433 6.988 387 HH21 ARG 52 1HH2 ARG 52 11.019 5.479 8.448 388 HH22 ARG 52 2HH2 ARG 52 11.095 6.512 7.050 389 H ARG 53 H ARG 53 7.484 6.000 14.275 390 HA ARG 53 HA ARG 53 7.995 6.979 17.055 391 HB2 ARG 53 1HB ARG 53 5.780 5.805 16.612 392 HB3 ARG 53 2HB ARG 53 6.698 4.344 16.261 393 HG2 ARG 53 1HG ARG 53 7.409 5.574 18.842 394 HG3 ARG 53 2HG ARG 53 5.694 5.169 18.714 395 HD2 ARG 53 1HD ARG 53 6.630 2.852 17.817 396 HD3 ARG 53 2HD ARG 53 8.074 3.334 18.725 397 HE ARG 53 HE ARG 53 5.393 2.676 19.789 398 HH11 ARG 53 1HH1 ARG 53 8.644 3.860 20.607 399 HH12 ARG 53 2HH1 ARG 53 8.378 3.589 22.311 400 HH21 ARG 53 1HH2 ARG 53 5.180 2.361 21.966 401 HH22 ARG 53 2HH2 ARG 53 6.478 2.761 23.056 402 H ILE 54 H ILE 54 9.604 6.272 18.097 403 HA ILE 54 HA ILE 54 11.261 4.120 16.867 404 HB ILE 54 HB ILE 54 13.248 5.291 17.190 405 HG12 ILE 54 1HG1 ILE 54 13.057 6.074 19.445 406 HG13 ILE 54 2HG1 ILE 54 13.563 7.400 18.415 407 HG21 ILE 54 1HG2 ILE 54 13.088 7.392 15.976 408 HG22 ILE 54 2HG2 ILE 54 11.349 7.498 16.322 409 HG23 ILE 54 3HG2 ILE 54 11.974 6.192 15.287 410 HD11 ILE 54 1HD1 ILE 54 12.012 8.242 20.004 411 HD12 ILE 54 2HD1 ILE 54 10.834 6.966 19.641 412 HD13 ILE 54 3HD1 ILE 54 11.190 8.215 18.435 413 H ARG 55 H ARG 55 12.934 3.450 18.698 414 HA ARG 55 HA ARG 55 11.559 3.520 21.349 415 HB2 ARG 55 1HB ARG 55 11.267 1.292 20.266 416 HB3 ARG 55 2HB ARG 55 13.028 1.159 20.117 417 HG2 ARG 55 1HG ARG 55 13.242 1.271 22.577 418 HG3 ARG 55 2HG ARG 55 11.480 1.418 22.718 419 HD2 ARG 55 1HD ARG 55 11.994 -0.831 23.125 420 HD3 ARG 55 2HD ARG 55 11.319 -0.759 21.483 421 HE ARG 55 HE ARG 55 14.137 -0.537 21.293 422 HH11 ARG 55 1HH1 ARG 55 11.778 -3.004 22.209 423 HH12 ARG 55 2HH1 ARG 55 12.822 -4.312 21.726 424 HH21 ARG 55 1HH2 ARG 55 15.415 -2.264 20.706 425 HH22 ARG 55 2HH2 ARG 55 14.839 -3.898 20.892 426 H GLY 56 H GLY 56 12.826 4.635 22.680 427 HA2 GLY 56 1HA GLY 56 15.733 4.787 22.163 428 HA3 GLY 56 2HA GLY 56 14.824 5.629 23.452 429 H GLY 57 H GLY 57 17.249 4.121 24.000 430 HA2 GLY 57 1HA GLY 57 16.612 1.461 24.857 431 HA3 GLY 57 2HA GLY 57 17.979 2.442 25.431 432 H ASP 58 H ASP 58 16.411 4.630 26.358 433 HA ASP 58 HA ASP 58 15.438 3.513 28.901 434 HB2 ASP 58 1HB ASP 58 17.106 5.447 28.641 435 HB3 ASP 58 2HB ASP 58 15.722 6.427 28.163 436 H GLY 59 H GLY 59 14.006 3.577 26.132 437 HA2 GLY 59 1HA GLY 59 11.753 3.182 25.791 438 HA3 GLY 59 2HA GLY 59 11.393 3.842 27.382 439 H LYS 60 H LYS 60 13.115 6.252 26.050 440 HA LYS 60 HA LYS 60 10.875 7.913 25.745 441 HB2 LYS 60 1HB LYS 60 13.784 8.182 25.007 442 HB3 LYS 60 2HB LYS 60 12.614 9.467 24.644 443 HG2 LYS 60 1HG LYS 60 12.810 10.234 26.743 444 HG3 LYS 60 2HG LYS 60 12.147 8.701 27.340 445 HD2 LYS 60 1HD LYS 60 14.569 7.813 27.013 446 HD3 LYS 60 2HD LYS 60 15.022 9.529 27.022 447 HE2 LYS 60 1HE LYS 60 13.549 7.986 29.199 448 HE3 LYS 60 2HE LYS 60 15.216 8.556 29.249 449 HZ1 LYS 60 1HZ LYS 60 13.803 9.945 30.543 450 HZ2 LYS 60 2HZ LYS 60 12.834 10.287 29.253 451 HZ3 LYS 60 3HZ LYS 60 14.399 10.816 29.277 452 H MET 61 H MET 61 10.098 9.020 24.104 453 HA MET 61 HA MET 61 10.023 7.565 21.503 454 HB2 MET 61 1HB MET 61 7.785 8.906 23.049 455 HB3 MET 61 2HB MET 61 7.640 8.244 21.418 456 HG2 MET 61 1HG MET 61 8.356 6.021 22.315 457 HG3 MET 61 2HG MET 61 8.293 6.702 23.947 458 HE1 MET 61 1HE MET 61 5.361 7.582 21.094 459 HE2 MET 61 2HE MET 61 4.806 5.894 21.086 460 HE3 MET 61 3HE MET 61 6.501 6.285 20.670 461 H LYS 62 H LYS 62 8.539 9.110 19.943 462 HA LYS 62 HA LYS 62 9.854 11.793 19.914 463 HB2 LYS 62 1HB LYS 62 9.708 9.660 17.832 464 HB3 LYS 62 2HB LYS 62 9.304 11.290 17.265 465 HG2 LYS 62 1HG LYS 62 11.870 10.637 18.744 466 HG3 LYS 62 2HG LYS 62 11.712 10.661 16.977 467 HD2 LYS 62 1HD LYS 62 10.955 13.042 17.108 468 HD3 LYS 62 2HD LYS 62 11.243 13.011 18.861 469 HE2 LYS 62 1HE LYS 62 13.622 12.442 18.446 470 HE3 LYS 62 2HE LYS 62 13.326 12.533 16.697 471 HZ1 LYS 62 1HZ LYS 62 14.237 14.613 17.559 472 HZ2 LYS 62 2HZ LYS 62 12.983 14.779 18.617 473 HZ3 LYS 62 3HZ LYS 62 12.708 14.869 16.994 474 H ASP 63 H ASP 63 7.321 10.172 17.946 475 HA ASP 63 HA ASP 63 5.566 12.510 18.450 476 HB2 ASP 63 1HB ASP 63 5.362 10.108 16.587 477 HB3 ASP 63 2HB ASP 63 4.075 11.306 16.792 478 H LEU 64 H LEU 64 3.561 12.262 19.425 479 HA LEU 64 HA LEU 64 3.035 9.645 20.786 480 HB2 LEU 64 1HB LEU 64 2.799 12.491 21.842 481 HB3 LEU 64 2HB LEU 64 1.880 11.165 22.525 482 HG LEU 64 HG LEU 64 3.690 11.649 23.967 483 HD11 LEU 64 1HD1 LEU 64 4.769 9.490 24.157 484 HD12 LEU 64 2HD1 LEU 64 4.385 9.107 22.464 485 HD13 LEU 64 3HD1 LEU 64 3.079 9.266 23.661 486 HD21 LEU 64 1HD2 LEU 64 6.022 11.591 23.415 487 HD22 LEU 64 2HD2 LEU 64 5.224 12.711 22.295 488 HD23 LEU 64 3HD2 LEU 64 5.681 11.082 21.749 489 H SER 65 H SER 65 1.536 12.844 20.167 490 HA SER 65 HA SER 65 -1.033 11.637 19.469 491 HB2 SER 65 1HB SER 65 -1.229 14.244 18.774 492 HB3 SER 65 2HB SER 65 -1.379 13.694 20.460 493 HG SER 65 HG SER 65 0.174 15.459 19.991 494 HA PRO 66 HA PRO 66 0.106 11.469 15.239 495 HB2 PRO 66 1HB PRO 66 -2.225 11.614 13.851 496 HB3 PRO 66 2HB PRO 66 -1.824 10.202 14.882 497 HG2 PRO 66 1HG PRO 66 -3.526 12.586 15.515 498 HG3 PRO 66 2HG PRO 66 -3.896 10.850 15.738 499 HD2 PRO 66 1HD PRO 66 -2.970 12.435 17.771 500 HD3 PRO 66 2HD PRO 66 -2.550 10.690 17.646 501 H ARG 67 H ARG 67 0.657 12.771 13.494 502 HA ARG 67 HA ARG 67 -0.114 15.639 13.749 503 HB2 ARG 67 1HB ARG 67 2.110 14.272 12.190 504 HB3 ARG 67 2HB ARG 67 1.843 16.008 12.292 505 HG2 ARG 67 1HG ARG 67 2.310 15.966 14.671 506 HG3 ARG 67 2HG ARG 67 2.518 14.202 14.614 507 HD2 ARG 67 1HD ARG 67 4.338 14.495 12.973 508 HD3 ARG 67 2HD ARG 67 4.165 16.245 13.133 509 HE ARG 67 HE ARG 67 5.389 14.370 15.044 510 HH11 ARG 67 1HH1 ARG 67 4.125 17.671 14.670 511 HH12 ARG 67 2HH1 ARG 67 5.002 18.249 16.060 512 HH21 ARG 67 1HH2 ARG 67 6.418 15.153 16.768 513 HH22 ARG 67 2HH2 ARG 67 6.282 16.839 17.238 514 H TRP 68 H TRP 68 -0.807 16.742 11.884 515 HA TRP 68 HA TRP 68 -1.401 15.040 9.502 516 HB2 TRP 68 1HB TRP 68 -3.249 16.937 10.971 517 HB3 TRP 68 2HB TRP 68 -3.502 16.477 9.281 518 HD1 TRP 68 HD1 TRP 68 -3.504 14.904 12.814 519 HE1 TRP 68 HE1 TRP 68 -4.839 12.728 12.796 520 HE3 TRP 68 HE3 TRP 68 -4.288 14.593 7.768 521 HZ2 TRP 68 HZ2 TRP 68 -6.075 11.090 10.840 522 HZ3 TRP 68 HZ3 TRP 68 -5.624 12.673 6.877 523 HH2 TRP 68 HH2 TRP 68 -6.525 10.942 8.439 524 H TYR 69 H TYR 69 -0.925 16.004 7.601 525 HA TYR 69 HA TYR 69 -0.039 18.882 7.688 526 HB2 TYR 69 1HB TYR 69 1.188 16.482 6.281 527 HB3 TYR 69 2HB TYR 69 1.604 18.153 5.918 528 HD1 TYR 69 HD1 TYR 69 3.132 19.418 7.304 529 HD2 TYR 69 HD2 TYR 69 1.830 15.501 8.565 530 HE1 TYR 69 HE1 TYR 69 4.966 19.334 8.979 531 HE2 TYR 69 HE2 TYR 69 3.671 15.448 10.243 532 HH TYR 69 HH TYR 69 6.011 18.100 10.605 533 H PHE 70 H PHE 70 -0.574 20.033 5.744 534 HA PHE 70 HA PHE 70 -2.738 18.777 4.185 535 HB2 PHE 70 1HB PHE 70 -3.151 21.037 5.022 536 HB3 PHE 70 2HB PHE 70 -1.671 21.618 4.252 537 HD1 PHE 70 HD1 PHE 70 -1.797 22.580 2.124 538 HD2 PHE 70 HD2 PHE 70 -4.897 19.883 3.371 539 HE1 PHE 70 HE1 PHE 70 -3.062 23.078 0.048 540 HE2 PHE 70 HE2 PHE 70 -6.153 20.356 1.277 541 HZ PHE 70 HZ PHE 70 -5.236 21.957 -0.394 542 H TYR 71 H TYR 71 -2.574 18.295 2.091 543 HA TYR 71 HA TYR 71 0.003 18.828 0.706 544 HB2 TYR 71 1HB TYR 71 -1.158 16.300 1.717 545 HB3 TYR 71 2HB TYR 71 -0.505 16.236 0.058 546 HD1 TYR 71 HD1 TYR 71 0.250 16.197 3.598 547 HD2 TYR 71 HD2 TYR 71 1.967 17.005 -0.263 548 HE1 TYR 71 HE1 TYR 71 2.539 15.985 4.562 549 HE2 TYR 71 HE2 TYR 71 4.256 16.801 0.715 550 HH TYR 71 HH TYR 71 4.765 16.090 4.189 551 H TYR 72 H TYR 72 -0.263 19.039 -1.475 552 HA TYR 72 HA TYR 72 -2.967 19.687 -2.308 553 HB2 TYR 72 1HB TYR 72 -0.308 19.839 -3.760 554 HB3 TYR 72 2HB TYR 72 -1.836 20.515 -4.344 555 HD1 TYR 72 HD1 TYR 72 0.864 20.857 -1.800 556 HD2 TYR 72 HD2 TYR 72 -2.806 22.527 -3.315 557 HE1 TYR 72 HE1 TYR 72 1.248 22.933 -0.470 558 HE2 TYR 72 HE2 TYR 72 -2.381 24.610 -2.019 559 HH TYR 72 HH TYR 72 -0.980 25.703 -0.599 560 H LEU 73 H LEU 73 -3.883 18.993 -4.377 561 HA LEU 73 HA LEU 73 -4.228 16.214 -4.456 562 HB2 LEU 73 1HB LEU 73 -5.254 18.440 -5.780 563 HB3 LEU 73 2HB LEU 73 -4.522 17.511 -7.079 564 HG LEU 73 HG LEU 73 -6.714 16.594 -5.194 565 HD11 LEU 73 1HD1 LEU 73 -7.244 18.211 -7.067 566 HD12 LEU 73 2HD1 LEU 73 -8.118 16.675 -7.128 567 HD13 LEU 73 3HD1 LEU 73 -6.737 16.948 -8.203 568 HD21 LEU 73 1HD2 LEU 73 -6.836 14.566 -6.653 569 HD22 LEU 73 2HD2 LEU 73 -5.361 14.633 -5.686 570 HD23 LEU 73 3HD2 LEU 73 -5.308 15.052 -7.415 571 H GLY 74 H GLY 74 -3.019 14.560 -5.120 572 HA2 GLY 74 1HA GLY 74 -1.684 13.335 -6.559 573 HA3 GLY 74 2HA GLY 74 -1.409 14.776 -7.532 574 H THR 75 H THR 75 -0.614 15.225 -4.161 575 HA THR 75 HA THR 75 2.237 15.232 -4.970 576 HB THR 75 HB THR 75 2.612 16.120 -2.617 577 HG1 THR 75 HG1 THR 75 -0.229 16.395 -2.619 578 HG21 THR 75 1HG2 THR 75 1.599 18.343 -3.052 579 HG22 THR 75 2HG2 THR 75 0.670 17.640 -4.394 580 HG23 THR 75 3HG2 THR 75 2.450 17.684 -4.463 581 H GLY 76 H GLY 76 3.854 14.056 -4.025 582 HA2 GLY 76 1HA GLY 76 4.630 12.517 -2.312 583 HA3 GLY 76 2HA GLY 76 3.024 11.762 -2.294 584 HA PRO 77 HA PRO 77 5.952 10.321 -5.843 585 HB2 PRO 77 1HB PRO 77 7.438 8.252 -4.818 586 HB3 PRO 77 2HB PRO 77 7.946 9.958 -4.754 587 HG2 PRO 77 1HG PRO 77 6.595 8.359 -2.606 588 HG3 PRO 77 2HG PRO 77 8.077 9.362 -2.499 589 HD2 PRO 77 1HD PRO 77 5.677 10.328 -1.745 590 HD3 PRO 77 2HD PRO 77 6.864 11.368 -2.607 591 H GLU 78 H GLU 78 4.658 8.201 -3.337 592 HA GLU 78 HA GLU 78 3.682 6.299 -5.434 593 HB2 GLU 78 1HB GLU 78 3.571 4.661 -3.594 594 HB3 GLU 78 2HB GLU 78 5.201 5.306 -3.800 595 HG2 GLU 78 1HG GLU 78 4.912 6.783 -1.870 596 HG3 GLU 78 2HG GLU 78 3.232 6.257 -1.688 597 H ALA 79 H ALA 79 2.461 8.911 -4.581 598 HA ALA 79 HA ALA 79 0.391 8.495 -2.714 599 HB1 ALA 79 1HB ALA 79 0.445 10.375 -5.113 600 HB2 ALA 79 2HB ALA 79 1.120 10.699 -3.507 601 HB3 ALA 79 3HB ALA 79 -0.632 10.511 -3.702 602 H GLY 80 H GLY 80 0.108 8.374 -6.321 603 HA2 GLY 80 1HA GLY 80 -1.493 7.341 -7.640 604 HA3 GLY 80 2HA GLY 80 -1.523 6.093 -6.380 605 H LEU 81 H LEU 81 -2.477 9.490 -5.902 606 HA LEU 81 HA LEU 81 -5.155 8.482 -5.176 607 HB2 LEU 81 1HB LEU 81 -3.257 10.470 -3.977 608 HB3 LEU 81 2HB LEU 81 -4.969 10.677 -3.747 609 HG LEU 81 HG LEU 81 -3.377 8.293 -2.831 610 HD11 LEU 81 1HD1 LEU 81 -3.847 9.234 -0.589 611 HD12 LEU 81 2HD1 LEU 81 -4.619 10.636 -1.356 612 HD13 LEU 81 3HD1 LEU 81 -2.883 10.333 -1.591 613 HD21 LEU 81 1HD2 LEU 81 -5.416 7.623 -1.642 614 HD22 LEU 81 2HD2 LEU 81 -5.673 7.633 -3.398 615 HD23 LEU 81 3HD2 LEU 81 -6.303 8.956 -2.388 616 HA PRO 82 HA PRO 82 -6.647 11.727 -7.971 617 HB2 PRO 82 1HB PRO 82 -8.941 10.414 -8.626 618 HB3 PRO 82 2HB PRO 82 -7.381 10.010 -9.414 619 HG2 PRO 82 1HG PRO 82 -8.812 8.609 -7.185 620 HG3 PRO 82 2HG PRO 82 -7.950 7.922 -8.581 621 HD2 PRO 82 1HD PRO 82 -6.913 8.102 -6.084 622 HD3 PRO 82 2HD PRO 82 -5.939 8.013 -7.569 623 H TYR 83 H TYR 83 -8.653 13.048 -7.519 624 HA TYR 83 HA TYR 83 -8.958 13.395 -4.722 625 HB2 TYR 83 1HB TYR 83 -9.328 15.119 -6.483 626 HB3 TYR 83 2HB TYR 83 -10.830 14.308 -6.921 627 HD1 TYR 83 HD1 TYR 83 -12.829 14.562 -5.515 628 HD2 TYR 83 HD2 TYR 83 -9.069 16.241 -4.276 629 HE1 TYR 83 HE1 TYR 83 -13.987 15.853 -3.716 630 HE2 TYR 83 HE2 TYR 83 -10.231 17.522 -2.481 631 HH TYR 83 HH TYR 83 -13.759 17.339 -1.998 632 H GLY 84 H GLY 84 -10.319 12.602 -3.239 633 HA2 GLY 84 1HA GLY 84 -12.319 11.681 -2.444 634 HA3 GLY 84 2HA GLY 84 -12.795 11.259 -4.090 635 H ALA 85 H ALA 85 -9.744 10.075 -4.053 636 HA ALA 85 HA ALA 85 -10.645 7.380 -3.703 637 HB1 ALA 85 1HB ALA 85 -8.814 7.694 -5.137 638 HB2 ALA 85 2HB ALA 85 -8.143 6.877 -3.713 639 HB3 ALA 85 3HB ALA 85 -7.899 8.628 -3.937 640 H ASN 86 H ASN 86 -10.753 6.073 -2.015 641 HA ASN 86 HA ASN 86 -10.312 7.178 0.650 642 HB2 ASN 86 1HB ASN 86 -12.240 5.687 0.051 643 HB3 ASN 86 2HB ASN 86 -11.090 4.364 -0.205 644 HD21 ASN 86 1HD2 ASN 86 -11.645 3.454 3.106 645 HD22 ASN 86 2HD2 ASN 86 -11.781 3.036 1.416 646 H LYS 87 H LYS 87 -8.581 6.892 1.940 647 HA LYS 87 HA LYS 87 -6.829 4.558 1.634 648 HB2 LYS 87 1HB LYS 87 -5.981 6.120 -0.084 649 HB3 LYS 87 2HB LYS 87 -5.822 7.373 1.111 650 HG2 LYS 87 1HG LYS 87 -3.974 6.371 2.159 651 HG3 LYS 87 2HG LYS 87 -4.348 4.761 1.500 652 HD2 LYS 87 1HD LYS 87 -3.424 7.099 -0.189 653 HD3 LYS 87 2HD LYS 87 -2.328 5.904 0.510 654 HE2 LYS 87 1HE LYS 87 -3.591 4.099 -0.712 655 HE3 LYS 87 2HE LYS 87 -4.544 5.360 -1.516 656 HZ1 LYS 87 1HZ LYS 87 -2.688 4.633 -2.891 657 HZ2 LYS 87 2HZ LYS 87 -1.595 5.046 -1.732 658 HZ3 LYS 87 3HZ LYS 87 -2.477 6.215 -2.488 659 H ASP 88 H ASP 88 -5.458 4.353 3.483 660 HA ASP 88 HA ASP 88 -6.646 5.266 5.905 661 HB2 ASP 88 1HB ASP 88 -5.276 3.184 5.655 662 HB3 ASP 88 2HB ASP 88 -3.835 4.192 5.444 663 H GLY 89 H GLY 89 -6.373 7.050 7.073 664 HA2 GLY 89 1HA GLY 89 -5.450 8.993 7.876 665 HA3 GLY 89 2HA GLY 89 -3.906 8.489 7.188 666 H ILE 90 H ILE 90 -6.750 8.885 5.121 667 HA ILE 90 HA ILE 90 -5.593 11.460 4.141 668 HB ILE 90 HB ILE 90 -6.749 9.186 2.431 669 HG12 ILE 90 1HG1 ILE 90 -4.487 8.693 3.258 670 HG13 ILE 90 2HG1 ILE 90 -4.532 8.924 1.521 671 HG21 ILE 90 1HG2 ILE 90 -5.972 10.664 0.503 672 HG22 ILE 90 2HG2 ILE 90 -5.710 11.970 1.681 673 HG23 ILE 90 3HG2 ILE 90 -7.341 11.317 1.415 674 HD11 ILE 90 1HD1 ILE 90 -3.690 11.152 3.347 675 HD12 ILE 90 2HD1 ILE 90 -3.399 10.935 1.604 676 HD13 ILE 90 3HD1 ILE 90 -2.576 9.880 2.771 677 H ILE 91 H ILE 91 -6.947 13.079 4.049 678 HA ILE 91 HA ILE 91 -9.867 12.502 3.735 679 HB ILE 91 HB ILE 91 -10.360 14.436 5.274 680 HG12 ILE 91 1HG1 ILE 91 -7.909 14.200 6.838 681 HG13 ILE 91 2HG1 ILE 91 -7.559 14.774 5.232 682 HG21 ILE 91 1HG2 ILE 91 -10.192 13.139 7.337 683 HG22 ILE 91 2HG2 ILE 91 -8.953 12.083 6.613 684 HG23 ILE 91 3HG2 ILE 91 -10.619 12.063 5.988 685 HD11 ILE 91 1HD1 ILE 91 -8.011 16.630 6.796 686 HD12 ILE 91 2HD1 ILE 91 -9.662 16.019 7.023 687 HD13 ILE 91 3HD1 ILE 91 -9.126 16.598 5.422 688 H TRP 92 H TRP 92 -10.607 13.434 1.957 689 HA TRP 92 HA TRP 92 -9.017 15.474 0.619 690 HB2 TRP 92 1HB TRP 92 -11.634 14.112 -0.070 691 HB3 TRP 92 2HB TRP 92 -10.780 15.247 -1.122 692 HD1 TRP 92 HD1 TRP 92 -10.703 11.665 0.042 693 HE1 TRP 92 HE1 TRP 92 -8.868 10.355 -1.123 694 HE3 TRP 92 HE3 TRP 92 -8.332 15.626 -2.170 695 HZ2 TRP 92 HZ2 TRP 92 -6.663 10.957 -2.783 696 HZ3 TRP 92 HZ3 TRP 92 -6.293 15.179 -3.527 697 HH2 TRP 92 HH2 TRP 92 -5.464 12.848 -3.841 698 H VAL 93 H VAL 93 -9.393 17.560 0.265 699 HA VAL 93 HA VAL 93 -11.977 18.740 1.144 700 HB VAL 93 HB VAL 93 -10.691 20.654 2.197 701 HG11 VAL 93 1HG1 VAL 93 -10.290 19.524 4.335 702 HG12 VAL 93 2HG1 VAL 93 -10.274 17.940 3.526 703 HG13 VAL 93 3HG1 VAL 93 -11.769 18.904 3.574 704 HG21 VAL 93 1HG2 VAL 93 -8.383 20.370 2.868 705 HG22 VAL 93 2HG2 VAL 93 -8.469 20.112 1.116 706 HG23 VAL 93 3HG2 VAL 93 -8.333 18.721 2.213 707 H ALA 94 H ALA 94 -12.454 20.731 0.093 708 HA ALA 94 HA ALA 94 -10.643 21.813 -1.925 709 HB1 ALA 94 1HB ALA 94 -11.663 19.795 -3.094 710 HB2 ALA 94 2HB ALA 94 -12.031 21.355 -3.860 711 HB3 ALA 94 3HB ALA 94 -13.260 20.542 -2.856 712 H THR 95 H THR 95 -11.828 23.687 -2.993 713 HA THR 95 HA THR 95 -14.109 24.696 -1.369 714 HB THR 95 HB THR 95 -11.931 25.740 -0.544 715 HG1 THR 95 HG1 THR 95 -12.797 27.950 -0.962 716 HG21 THR 95 1HG2 THR 95 -10.776 27.343 -1.936 717 HG22 THR 95 2HG2 THR 95 -11.916 27.089 -3.276 718 HG23 THR 95 3HG2 THR 95 -10.796 25.793 -2.795 719 H GLU 96 H GLU 96 -15.057 26.637 -2.681 720 HA GLU 96 HA GLU 96 -15.662 25.633 -5.290 721 HB2 GLU 96 1HB GLU 96 -17.151 27.023 -3.820 722 HB3 GLU 96 2HB GLU 96 -16.143 28.426 -4.195 723 HG2 GLU 96 1HG GLU 96 -16.743 28.303 -6.534 724 HG3 GLU 96 2HG GLU 96 -17.551 26.745 -6.289 725 H GLY 97 H GLY 97 -14.869 26.114 -7.253 726 HA2 GLY 97 1HA GLY 97 -13.783 27.465 -8.865 727 HA3 GLY 97 2HA GLY 97 -12.989 28.376 -7.574 728 H ALA 98 H ALA 98 -12.507 25.438 -6.438 729 HA ALA 98 HA ALA 98 -9.822 25.275 -7.516 730 HB1 ALA 98 1HB ALA 98 -11.255 23.285 -5.762 731 HB2 ALA 98 2HB ALA 98 -9.500 23.556 -5.936 732 HB3 ALA 98 3HB ALA 98 -10.511 24.786 -5.154 733 H LEU 99 H LEU 99 -8.965 23.748 -8.959 734 HA LEU 99 HA LEU 99 -11.023 22.336 -10.575 735 HB2 LEU 99 1HB LEU 99 -8.137 23.066 -11.068 736 HB3 LEU 99 2HB LEU 99 -9.037 21.993 -12.116 737 HG LEU 99 HG LEU 99 -9.654 24.921 -11.645 738 HD11 LEU 99 1HD1 LEU 99 -8.922 25.072 -14.013 739 HD12 LEU 99 2HD1 LEU 99 -8.540 23.330 -13.990 740 HD13 LEU 99 3HD1 LEU 99 -7.632 24.462 -12.955 741 HD21 LEU 99 1HD2 LEU 99 -11.266 24.620 -13.535 742 HD22 LEU 99 2HD2 LEU 99 -11.752 23.749 -12.071 743 HD23 LEU 99 3HD2 LEU 99 -11.021 22.860 -13.434 744 H ASN 100 H ASN 100 -11.112 20.231 -10.927 745 HA ASN 100 HA ASN 100 -9.535 18.489 -9.160 746 HB2 ASN 100 1HB ASN 100 -11.976 18.128 -9.516 747 HB3 ASN 100 2HB ASN 100 -11.652 17.770 -11.219 748 HD21 ASN 100 1HD2 ASN 100 -11.574 14.419 -10.230 749 HD22 ASN 100 2HD2 ASN 100 -12.421 15.675 -11.097 750 H THR 101 H THR 101 -7.504 19.059 -10.151 751 HA THR 101 HA THR 101 -6.760 17.161 -12.313 752 HB THR 101 HB THR 101 -7.303 19.659 -13.186 753 HG1 THR 101 HG1 THR 101 -5.692 19.369 -14.739 754 HG21 THR 101 1HG2 THR 101 -5.413 21.158 -13.113 755 HG22 THR 101 2HG2 THR 101 -4.441 19.964 -12.218 756 HG23 THR 101 3HG2 THR 101 -5.854 20.738 -11.445 757 HA PRO 102 HA PRO 102 -3.547 16.955 -9.254 758 HB2 PRO 102 1HB PRO 102 -1.279 16.439 -10.683 759 HB3 PRO 102 2HB PRO 102 -2.577 15.216 -10.456 760 HG2 PRO 102 1HG PRO 102 -2.054 17.048 -12.788 761 HG3 PRO 102 2HG PRO 102 -2.427 15.299 -12.788 762 HD2 PRO 102 1HD PRO 102 -4.281 17.165 -13.288 763 HD3 PRO 102 2HD PRO 102 -4.663 15.640 -12.423 764 H LYS 103 H LYS 103 -1.987 18.210 -8.174 765 HA LYS 103 HA LYS 103 -0.569 20.301 -9.699 766 HB2 LYS 103 1HB LYS 103 -1.135 21.961 -7.764 767 HB3 LYS 103 2HB LYS 103 -2.151 21.820 -9.173 768 HG2 LYS 103 1HG LYS 103 -2.843 20.262 -6.692 769 HG3 LYS 103 2HG LYS 103 -3.225 21.988 -6.800 770 HD2 LYS 103 1HD LYS 103 -4.017 20.217 -9.079 771 HD3 LYS 103 2HD LYS 103 -4.939 20.100 -7.594 772 HE2 LYS 103 1HE LYS 103 -6.101 21.552 -9.048 773 HE3 LYS 103 2HE LYS 103 -5.409 22.544 -7.775 774 HZ1 LYS 103 1HZ LYS 103 -5.190 23.534 -9.993 775 HZ2 LYS 103 2HZ LYS 103 -4.258 22.265 -10.486 776 HZ3 LYS 103 3HZ LYS 103 -3.718 23.283 -9.302 777 H ASP 104 H ASP 104 0.573 18.198 -9.075 778 HA ASP 104 HA ASP 104 1.689 17.858 -6.490 779 HB2 ASP 104 1HB ASP 104 3.271 16.411 -7.632 780 HB3 ASP 104 2HB ASP 104 1.658 16.153 -8.318 781 H HIS 105 H HIS 105 2.375 19.986 -9.142 782 HA HIS 105 HA HIS 105 5.086 20.585 -8.736 783 HB2 HIS 105 1HB HIS 105 4.663 22.650 -9.953 784 HB3 HIS 105 2HB HIS 105 3.784 21.313 -10.701 785 HD1 HIS 105 HD1 HIS 105 1.225 21.534 -10.913 786 HD2 HIS 105 HD2 HIS 105 2.952 24.538 -8.544 787 HE1 HIS 105 HE1 HIS 105 -0.605 23.257 -10.428 788 H ILE 106 H ILE 106 2.441 21.449 -6.661 789 HA ILE 106 HA ILE 106 3.833 23.775 -5.547 790 HB ILE 106 HB ILE 106 1.453 22.301 -4.341 791 HG12 ILE 106 1HG1 ILE 106 1.344 24.604 -6.324 792 HG13 ILE 106 2HG1 ILE 106 1.076 22.917 -6.773 793 HG21 ILE 106 1HG2 ILE 106 2.425 25.210 -4.183 794 HG22 ILE 106 2HG2 ILE 106 2.513 23.995 -2.893 795 HG23 ILE 106 3HG2 ILE 106 0.946 24.589 -3.424 796 HD11 ILE 106 1HD1 ILE 106 -1.010 23.843 -6.516 797 HD12 ILE 106 2HD1 ILE 106 -0.605 24.604 -4.971 798 HD13 ILE 106 3HD1 ILE 106 -0.753 22.833 -5.101 799 H GLY 107 H GLY 107 3.601 20.303 -4.981 800 HA2 GLY 107 1HA GLY 107 4.443 20.444 -2.202 801 HA3 GLY 107 2HA GLY 107 4.283 18.996 -3.195 802 H THR 108 H THR 108 6.296 21.182 -4.790 803 HA THR 108 HA THR 108 8.623 19.514 -4.171 804 HB THR 108 HB THR 108 8.035 20.302 -6.507 805 HG1 THR 108 HG1 THR 108 10.558 20.994 -5.389 806 HG21 THR 108 1HG2 THR 108 9.196 22.977 -5.628 807 HG22 THR 108 2HG2 THR 108 7.450 22.687 -5.812 808 HG23 THR 108 3HG2 THR 108 8.527 22.539 -7.212 809 H ARG 109 H ARG 109 7.352 21.781 -2.329 810 HA ARG 109 HA ARG 109 9.335 23.771 -1.918 811 HB2 ARG 109 1HB ARG 109 7.023 23.693 -0.895 812 HB3 ARG 109 2HB ARG 109 7.597 22.413 0.180 813 HG2 ARG 109 1HG ARG 109 9.359 24.044 1.018 814 HG3 ARG 109 2HG ARG 109 8.527 25.297 0.076 815 HD2 ARG 109 1HD ARG 109 7.625 25.493 2.239 816 HD3 ARG 109 2HD ARG 109 6.424 24.619 1.313 817 HE ARG 109 HE ARG 109 6.698 22.751 2.627 818 HH11 ARG 109 1HH1 ARG 109 9.383 24.940 3.356 819 HH12 ARG 109 2HH1 ARG 109 9.913 23.966 4.701 820 HH21 ARG 109 1HH2 ARG 109 7.369 21.644 4.370 821 HH22 ARG 109 2HH2 ARG 109 8.789 22.131 5.269 822 H ASN 110 H ASN 110 11.359 23.697 -1.037 823 HA ASN 110 HA ASN 110 12.212 21.091 0.090 824 HB2 ASN 110 1HB ASN 110 13.508 22.923 -1.590 825 HB3 ASN 110 2HB ASN 110 14.232 23.129 0.013 826 HD21 ASN 110 1HD2 ASN 110 15.207 19.949 -2.115 827 HD22 ASN 110 2HD2 ASN 110 14.170 21.196 -2.753 828 HA PRO 111 HA PRO 111 11.790 23.111 4.037 829 HB2 PRO 111 1HB PRO 111 12.693 21.149 5.676 830 HB3 PRO 111 2HB PRO 111 11.144 20.988 4.782 831 HG2 PRO 111 1HG PRO 111 13.869 19.937 4.046 832 HG3 PRO 111 2HG PRO 111 12.308 19.052 4.127 833 HD2 PRO 111 1HD PRO 111 13.328 20.026 1.814 834 HD3 PRO 111 2HD PRO 111 11.568 20.013 2.113 835 H ALA 112 H ALA 112 14.783 22.084 2.627 836 HA ALA 112 HA ALA 112 16.478 23.135 4.769 837 HB1 ALA 112 1HB ALA 112 17.097 22.338 1.884 838 HB2 ALA 112 2HB ALA 112 17.226 21.273 3.308 839 HB3 ALA 112 3HB ALA 112 18.296 22.686 3.151 840 H ASN 113 H ASN 113 14.812 24.311 1.970 841 HA ASN 113 HA ASN 113 16.536 26.723 1.799 842 HB2 ASN 113 1HB ASN 113 14.366 25.641 -0.039 843 HB3 ASN 113 2HB ASN 113 15.297 27.110 -0.332 844 HD21 ASN 113 1HD2 ASN 113 16.786 24.197 -2.152 845 HD22 ASN 113 2HD2 ASN 113 15.172 24.855 -2.045 846 H ASN 114 H ASN 114 13.247 25.750 2.712 847 HA ASN 114 HA ASN 114 12.663 28.553 3.383 848 HB2 ASN 114 1HB ASN 114 11.415 28.400 1.437 849 HB3 ASN 114 2HB ASN 114 11.294 26.646 1.561 850 HD21 ASN 114 1HD2 ASN 114 8.586 28.945 3.365 851 HD22 ASN 114 2HD2 ASN 114 10.072 29.560 2.656 852 H ALA 115 H ALA 115 11.194 28.791 5.042 853 HA ALA 115 HA ALA 115 10.851 26.462 6.845 854 HB1 ALA 115 1HB ALA 115 11.835 28.532 7.801 855 HB2 ALA 115 2HB ALA 115 10.258 28.165 8.540 856 HB3 ALA 115 3HB ALA 115 10.384 29.445 7.312 857 H ALA 116 H ALA 116 8.864 25.657 7.324 858 HA ALA 116 HA ALA 116 6.717 26.055 5.500 859 HB1 ALA 116 1HB ALA 116 5.487 24.480 6.932 860 HB2 ALA 116 2HB ALA 116 6.694 24.679 8.224 861 HB3 ALA 116 3HB ALA 116 7.150 23.911 6.682 862 H ILE 117 H ILE 117 4.667 26.872 5.772 863 HA ILE 117 HA ILE 117 4.518 29.304 7.400 864 HB ILE 117 HB ILE 117 2.514 27.986 5.524 865 HG12 ILE 117 1HG1 ILE 117 4.055 30.452 4.796 866 HG13 ILE 117 2HG1 ILE 117 4.870 28.897 4.677 867 HG21 ILE 117 1HG2 ILE 117 1.481 30.271 5.394 868 HG22 ILE 117 2HG2 ILE 117 2.601 30.822 6.661 869 HG23 ILE 117 3HG2 ILE 117 1.379 29.579 7.018 870 HD11 ILE 117 1HD1 ILE 117 3.886 29.488 2.544 871 HD12 ILE 117 2HD1 ILE 117 2.280 29.619 3.299 872 HD13 ILE 117 3HD1 ILE 117 3.100 28.039 3.217 873 H VAL 118 H VAL 118 3.275 29.525 9.313 874 HA VAL 118 HA VAL 118 2.256 27.204 10.688 875 HB VAL 118 HB VAL 118 1.574 30.178 11.019 876 HG11 VAL 118 1HG1 VAL 118 0.818 29.535 13.289 877 HG12 VAL 118 2HG1 VAL 118 1.058 27.823 12.879 878 HG13 VAL 118 3HG1 VAL 118 -0.172 28.785 12.021 879 HG21 VAL 118 1HG2 VAL 118 3.958 29.747 11.392 880 HG22 VAL 118 2HG2 VAL 118 3.573 28.378 12.463 881 HG23 VAL 118 3HG2 VAL 118 3.162 30.038 12.952 882 H LEU 119 H LEU 119 0.433 26.077 10.233 883 HA LEU 119 HA LEU 119 -1.198 26.826 8.000 884 HB2 LEU 119 1HB LEU 119 -0.673 24.505 8.877 885 HB3 LEU 119 2HB LEU 119 -1.864 24.782 10.132 886 HG LEU 119 HG LEU 119 -2.653 25.078 7.227 887 HD11 LEU 119 1HD1 LEU 119 -3.011 22.787 6.901 888 HD12 LEU 119 2HD1 LEU 119 -2.818 22.400 8.621 889 HD13 LEU 119 3HD1 LEU 119 -1.400 22.847 7.647 890 HD21 LEU 119 1HD2 LEU 119 -4.089 24.400 9.823 891 HD22 LEU 119 2HD2 LEU 119 -4.800 23.976 8.258 892 HD23 LEU 119 3HD2 LEU 119 -4.459 25.669 8.644 893 H GLN 120 H GLN 120 -3.021 27.929 7.836 894 HA GLN 120 HA GLN 120 -4.567 28.652 10.292 895 HB2 GLN 120 1HB GLN 120 -3.755 30.424 7.967 896 HB3 GLN 120 2HB GLN 120 -4.946 30.872 9.194 897 HG2 GLN 120 1HG GLN 120 -3.356 31.176 10.832 898 HG3 GLN 120 2HG GLN 120 -2.216 30.061 10.078 899 HE21 GLN 120 1HE2 GLN 120 -0.644 32.463 8.091 900 HE22 GLN 120 2HE2 GLN 120 -0.825 30.764 8.482 901 H LEU 121 H LEU 121 -6.822 28.977 9.813 902 HA LEU 121 HA LEU 121 -7.658 27.710 7.232 903 HB2 LEU 121 1HB LEU 121 -8.795 27.702 10.022 904 HB3 LEU 121 2HB LEU 121 -9.895 27.600 8.659 905 HG LEU 121 HG LEU 121 -7.676 25.611 9.224 906 HD11 LEU 121 1HD1 LEU 121 -9.608 24.146 9.852 907 HD12 LEU 121 2HD1 LEU 121 -10.680 25.554 9.692 908 HD13 LEU 121 3HD1 LEU 121 -9.404 25.546 10.927 909 HD21 LEU 121 1HD2 LEU 121 -8.940 24.197 7.571 910 HD22 LEU 121 2HD2 LEU 121 -8.223 25.639 6.840 911 HD23 LEU 121 3HD2 LEU 121 -9.959 25.606 7.194 912 HA PRO 122 HA PRO 122 -9.349 31.629 6.295 913 HB2 PRO 122 1HB PRO 122 -11.304 31.047 4.504 914 HB3 PRO 122 2HB PRO 122 -9.557 30.785 4.126 915 HG2 PRO 122 1HG PRO 122 -11.605 28.815 5.124 916 HG3 PRO 122 2HG PRO 122 -10.510 28.681 3.710 917 HD2 PRO 122 1HD PRO 122 -9.901 27.567 6.083 918 HD3 PRO 122 2HD PRO 122 -8.635 28.313 5.048 919 H GLN 123 H GLN 123 -11.347 32.940 6.332 920 HA GLN 123 HA GLN 123 -12.750 32.667 8.751 921 HB2 GLN 123 1HB GLN 123 -12.477 34.746 7.365 922 HB3 GLN 123 2HB GLN 123 -13.658 34.099 6.221 923 HG2 GLN 123 1HG GLN 123 -15.384 34.111 7.982 924 HG3 GLN 123 2HG GLN 123 -14.200 34.734 9.144 925 HE21 GLN 123 1HE2 GLN 123 -16.272 37.511 7.666 926 HE22 GLN 123 2HE2 GLN 123 -16.677 35.980 8.401 927 H GLY 124 H GLY 124 -14.514 31.566 9.373 928 HA2 GLY 124 1HA GLY 124 -16.655 30.592 9.020 929 HA3 GLY 124 2HA GLY 124 -16.285 30.393 7.303 930 H THR 125 H THR 125 -13.485 29.277 8.206 931 HA THR 125 HA THR 125 -14.579 26.561 8.817 932 HB THR 125 HB THR 125 -11.851 27.159 7.630 933 HG1 THR 125 HG1 THR 125 -13.536 27.967 6.275 934 HG21 THR 125 1HG2 THR 125 -12.336 24.868 8.619 935 HG22 THR 125 2HG2 THR 125 -11.991 24.854 6.884 936 HG23 THR 125 3HG2 THR 125 -13.659 24.708 7.454 937 H THR 126 H THR 126 -14.082 25.587 10.648 938 HA THR 126 HA THR 126 -11.888 26.718 12.321 939 HB THR 126 HB THR 126 -13.361 25.800 14.247 940 HG1 THR 126 HG1 THR 126 -15.581 25.732 13.699 941 HG21 THR 126 1HG2 THR 126 -14.648 27.867 14.369 942 HG22 THR 126 2HG2 THR 126 -14.374 28.171 12.637 943 HG23 THR 126 3HG2 THR 126 -13.006 28.203 13.778 944 H LEU 127 H LEU 127 -10.667 25.268 13.512 945 HA LEU 127 HA LEU 127 -10.407 22.607 12.384 946 HB2 LEU 127 1HB LEU 127 -9.310 23.772 14.950 947 HB3 LEU 127 2HB LEU 127 -8.839 22.236 14.287 948 HG LEU 127 HG LEU 127 -8.306 24.878 12.908 949 HD11 LEU 127 1HD1 LEU 127 -5.997 24.620 13.705 950 HD12 LEU 127 2HD1 LEU 127 -6.456 23.150 14.599 951 HD13 LEU 127 3HD1 LEU 127 -7.125 24.728 15.074 952 HD21 LEU 127 1HD2 LEU 127 -6.700 23.541 11.585 953 HD22 LEU 127 2HD2 LEU 127 -8.351 22.929 11.393 954 HD23 LEU 127 3HD2 LEU 127 -7.207 22.069 12.449 955 HA PRO 128 HA PRO 128 -13.401 20.813 15.060 956 HB2 PRO 128 1HB PRO 128 -12.637 18.199 15.233 957 HB3 PRO 128 2HB PRO 128 -13.270 18.921 13.721 958 HG2 PRO 128 1HG PRO 128 -10.466 18.374 14.534 959 HG3 PRO 128 2HG PRO 128 -11.262 18.098 12.964 960 HD2 PRO 128 1HD PRO 128 -9.645 20.262 13.549 961 HD3 PRO 128 2HD PRO 128 -10.931 20.308 12.311 962 H LYS 129 H LYS 129 -13.633 19.611 17.197 963 HA LYS 129 HA LYS 129 -12.101 20.971 19.141 964 HB2 LYS 129 1HB LYS 129 -14.452 19.827 19.257 965 HB3 LYS 129 2HB LYS 129 -13.550 18.366 19.667 966 HG2 LYS 129 1HG LYS 129 -14.240 19.300 21.720 967 HG3 LYS 129 2HG LYS 129 -12.519 19.709 21.593 968 HD2 LYS 129 1HD LYS 129 -13.101 21.991 20.848 969 HD3 LYS 129 2HD LYS 129 -14.824 21.564 20.844 970 HE2 LYS 129 1HE LYS 129 -14.713 21.136 23.289 971 HE3 LYS 129 2HE LYS 129 -13.005 21.628 23.287 972 HZ1 LYS 129 1HZ LYS 129 -14.586 23.415 23.931 973 HZ2 LYS 129 2HZ LYS 129 -15.216 23.402 22.407 974 HZ3 LYS 129 3HZ LYS 129 -13.636 23.824 22.650 975 H GLY 130 H GLY 130 -10.238 20.549 20.144 976 HA2 GLY 130 1HA GLY 130 -8.609 19.154 21.134 977 HA3 GLY 130 2HA GLY 130 -9.146 17.806 20.133 978 H PHE 131 H PHE 131 -8.885 20.249 17.929 979 HA PHE 131 HA PHE 131 -6.132 19.435 17.273 980 HB2 PHE 131 1HB PHE 131 -8.571 20.058 15.761 981 HB3 PHE 131 2HB PHE 131 -7.136 20.884 15.156 982 HD1 PHE 131 HD1 PHE 131 -8.838 17.693 15.516 983 HD2 PHE 131 HD2 PHE 131 -5.159 19.595 14.410 984 HE1 PHE 131 HE1 PHE 131 -8.163 15.660 14.302 985 HE2 PHE 131 HE2 PHE 131 -4.446 17.518 13.215 986 HZ PHE 131 HZ PHE 131 -5.959 15.563 13.147 987 H TYR 132 H TYR 132 -4.609 20.786 16.905 988 HA TYR 132 HA TYR 132 -5.086 23.694 16.744 989 HB2 TYR 132 1HB TYR 132 -3.419 24.264 18.396 990 HB3 TYR 132 2HB TYR 132 -4.668 23.276 19.153 991 HD1 TYR 132 HD1 TYR 132 -1.113 23.530 18.294 992 HD2 TYR 132 HD2 TYR 132 -4.165 20.852 19.747 993 HE1 TYR 132 HE1 TYR 132 0.640 22.008 19.208 994 HE2 TYR 132 HE2 TYR 132 -2.406 19.354 20.661 995 HH TYR 132 HH TYR 132 -0.181 19.024 20.988 996 H ALA 133 H ALA 133 -2.979 24.780 16.030 997 HA ALA 133 HA ALA 133 -1.574 22.916 14.176 998 HB1 ALA 133 1HB ALA 133 -2.900 24.656 13.038 999 HB2 ALA 133 2HB ALA 133 -1.161 24.938 12.786 1000 HB3 ALA 133 3HB ALA 133 -2.061 25.919 13.959 1001 H GLU 134 H GLU 134 0.653 23.039 13.921 1002 HA GLU 134 HA GLU 134 2.148 23.755 16.294 1003 HB2 GLU 134 1HB GLU 134 2.833 21.881 14.929 1004 HB3 GLU 134 2HB GLU 134 2.884 22.878 13.490 1005 HG2 GLU 134 1HG GLU 134 5.119 22.493 14.100 1006 HG3 GLU 134 2HG GLU 134 4.776 24.172 14.543 1007 H GLY 135 H GLY 135 3.349 25.569 16.687 1008 HA2 GLY 135 1HA GLY 135 4.262 27.678 16.291 1009 HA3 GLY 135 2HA GLY 135 3.804 27.555 14.586 1010 H SER 136 H SER 136 1.084 26.758 16.272 1011 HA SER 136 HA SER 136 0.123 29.591 16.380 1012 HB2 SER 136 1HB SER 136 -0.711 28.018 14.482 1013 HB3 SER 136 2HB SER 136 -1.631 27.210 15.757 1014 HG SER 136 HG SER 136 -2.690 28.999 14.573 1015 H ARG 137 H ARG 137 -2.354 29.115 17.434 1016 HA ARG 137 HA ARG 137 -1.985 27.625 19.978 1017 HB2 ARG 137 1HB ARG 137 -2.804 30.548 19.650 1018 HB3 ARG 137 2HB ARG 137 -3.148 29.613 21.106 1019 HG2 ARG 137 1HG ARG 137 -0.339 30.095 20.053 1020 HG3 ARG 137 2HG ARG 137 -1.139 31.096 21.279 1021 HD2 ARG 137 1HD ARG 137 -1.446 29.071 22.698 1022 HD3 ARG 137 2HD ARG 137 -0.543 28.119 21.502 1023 HE ARG 137 HE ARG 137 1.073 30.310 22.198 1024 HH11 ARG 137 1HH1 ARG 137 -0.244 27.464 23.817 1025 HH12 ARG 137 2HH1 ARG 137 1.078 27.378 24.949 1026 HH21 ARG 137 1HH2 ARG 137 2.737 30.129 23.668 1027 HH22 ARG 137 2HH2 ARG 137 2.733 28.861 24.862 1028 H GLY 138 H GLY 138 -4.215 27.576 21.041 1029 HA2 GLY 138 1HA GLY 138 -6.489 27.831 19.207 1030 HA3 GLY 138 2HA GLY 138 -6.078 26.167 19.723 1031 H GLY 139 H GLY 139 -8.496 26.985 20.633 1032 HA2 GLY 139 1HA GLY 139 -8.073 27.175 23.502 1033 HA3 GLY 139 2HA GLY 139 -8.781 28.648 22.797 1034 H SER 140 H SER 140 -10.554 27.786 24.382 1035 HA SER 140 HA SER 140 -12.646 26.549 22.764 1036 HB2 SER 140 1HB SER 140 -11.387 25.160 25.159 1037 HB3 SER 140 2HB SER 140 -13.067 24.864 24.663 1038 HG SER 140 HG SER 140 -11.039 24.761 22.719 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 8.250 -2.383 6.708 2 H2 GLY 1 2H GLY 1 8.114 -2.976 8.242 3 H3 GLY 1 3H GLY 1 9.464 -2.138 7.796 4 HA2 GLY 1 1HA GLY 1 6.739 -1.026 7.984 5 HA3 GLY 1 2HA GLY 1 8.035 -0.770 9.169 6 H ALA 2 H ALA 2 6.793 1.433 7.931 7 HA ALA 2 HA ALA 2 8.321 2.215 5.584 8 HB1 ALA 2 1HB ALA 2 5.974 2.916 5.898 9 HB2 ALA 2 2HB ALA 2 7.049 4.327 5.782 10 HB3 ALA 2 3HB ALA 2 6.428 3.815 7.368 11 H MET 3 H MET 3 10.444 1.824 6.761 12 HA MET 3 HA MET 3 11.380 4.447 7.825 13 HB2 MET 3 1HB MET 3 12.765 3.300 9.507 14 HB3 MET 3 2HB MET 3 11.038 3.082 9.785 15 HG2 MET 3 1HG MET 3 11.176 0.796 8.806 16 HG3 MET 3 2HG MET 3 12.928 1.015 8.613 17 HE1 MET 3 1HE MET 3 13.200 -1.307 11.674 18 HE2 MET 3 2HE MET 3 13.908 -0.818 10.117 19 HE3 MET 3 3HE MET 3 12.263 -1.497 10.174 20 H GLY 4 H GLY 4 11.568 3.845 5.232 21 HA2 GLY 4 1HA GLY 4 14.425 3.738 4.808 22 HA3 GLY 4 2HA GLY 4 13.616 2.261 4.255 23 H LEU 5 H LEU 5 11.152 3.574 3.441 24 HA LEU 5 HA LEU 5 11.840 4.334 0.794 25 HB2 LEU 5 1HB LEU 5 9.334 4.916 2.410 26 HB3 LEU 5 2HB LEU 5 9.484 5.175 0.676 27 HG LEU 5 HG LEU 5 9.700 2.463 2.027 28 HD11 LEU 5 1HD1 LEU 5 7.432 2.076 1.143 29 HD12 LEU 5 2HD1 LEU 5 7.380 3.741 0.523 30 HD13 LEU 5 3HD1 LEU 5 7.450 3.444 2.277 31 HD21 LEU 5 1HD2 LEU 5 9.370 1.601 -0.289 32 HD22 LEU 5 2HD2 LEU 5 10.877 2.521 -0.124 33 HD23 LEU 5 3HD2 LEU 5 9.462 3.265 -0.908 34 HA PRO 6 HA PRO 6 12.990 8.528 1.747 35 HB2 PRO 6 1HB PRO 6 13.365 9.529 -0.738 36 HB3 PRO 6 2HB PRO 6 14.418 8.221 -0.104 37 HG2 PRO 6 1HG PRO 6 11.992 8.003 -1.875 38 HG3 PRO 6 2HG PRO 6 13.631 7.321 -2.125 39 HD2 PRO 6 1HD PRO 6 11.589 5.868 -1.053 40 HD3 PRO 6 2HD PRO 6 13.299 5.638 -0.542 41 H ASN 7 H ASN 7 12.345 10.839 1.124 42 HA ASN 7 HA ASN 7 9.637 11.125 -0.004 43 HB2 ASN 7 1HB ASN 7 9.196 10.834 2.402 44 HB3 ASN 7 2HB ASN 7 10.397 12.080 2.782 45 HD21 ASN 7 1HD2 ASN 7 7.688 14.283 2.912 46 HD22 ASN 7 2HD2 ASN 7 8.867 13.371 3.826 47 H ASN 8 H ASN 8 10.139 12.494 -1.591 48 HA ASN 8 HA ASN 8 12.009 14.749 -1.008 49 HB2 ASN 8 1HB ASN 8 12.479 13.005 -2.867 50 HB3 ASN 8 2HB ASN 8 11.178 13.801 -3.762 51 HD21 ASN 8 1HD2 ASN 8 13.347 16.228 -4.963 52 HD22 ASN 8 2HD2 ASN 8 11.912 15.257 -5.168 53 H THR 9 H THR 9 9.285 14.953 -0.115 54 HA THR 9 HA THR 9 8.418 17.275 -1.659 55 HB THR 9 HB THR 9 6.042 16.549 -1.551 56 HG1 THR 9 HG1 THR 9 7.178 14.230 -0.369 57 HG21 THR 9 1HG2 THR 9 5.964 14.841 -3.261 58 HG22 THR 9 2HG2 THR 9 7.630 14.336 -2.900 59 HG23 THR 9 3HG2 THR 9 7.319 15.937 -3.613 60 H ALA 10 H ALA 10 7.180 18.537 -0.188 61 HA ALA 10 HA ALA 10 6.990 17.637 2.614 62 HB1 ALA 10 1HB ALA 10 9.229 18.759 2.375 63 HB2 ALA 10 2HB ALA 10 8.133 19.588 3.502 64 HB3 ALA 10 3HB ALA 10 8.384 20.240 1.865 65 H SER 11 H SER 11 5.367 18.681 3.772 66 HA SER 11 HA SER 11 3.215 19.815 2.243 67 HB2 SER 11 1HB SER 11 2.306 20.345 4.534 68 HB3 SER 11 2HB SER 11 2.804 18.653 4.345 69 HG SER 11 HG SER 11 3.842 20.630 5.964 70 H TRP 12 H TRP 12 2.587 21.972 2.057 71 HA TRP 12 HA TRP 12 4.696 23.935 2.223 72 HB2 TRP 12 1HB TRP 12 1.893 23.878 1.310 73 HB3 TRP 12 2HB TRP 12 2.464 25.437 1.928 74 HD1 TRP 12 HD1 TRP 12 2.856 23.128 -1.039 75 HE1 TRP 12 HE1 TRP 12 4.380 24.123 -2.796 76 HE3 TRP 12 HE3 TRP 12 4.630 27.023 1.745 77 HZ2 TRP 12 HZ2 TRP 12 6.197 26.322 -2.971 78 HZ3 TRP 12 HZ3 TRP 12 6.304 28.568 0.711 79 HH2 TRP 12 HH2 TRP 12 7.089 28.195 -1.630 80 H PHE 13 H PHE 13 2.382 22.779 4.467 81 HA PHE 13 HA PHE 13 2.795 25.187 6.156 82 HB2 PHE 13 1HB PHE 13 0.393 23.347 6.057 83 HB3 PHE 13 2HB PHE 13 0.554 24.824 7.017 84 HD1 PHE 13 HD1 PHE 13 -0.013 23.422 3.670 85 HD2 PHE 13 HD2 PHE 13 0.421 27.028 5.969 86 HE1 PHE 13 HE1 PHE 13 -0.853 24.731 1.753 87 HE2 PHE 13 HE2 PHE 13 -0.425 28.357 4.041 88 HZ PHE 13 HZ PHE 13 -1.048 27.197 1.921 89 H THR 14 H THR 14 2.484 24.874 8.428 90 HA THR 14 HA THR 14 4.092 22.697 9.444 91 HB THR 14 HB THR 14 3.497 23.656 11.658 92 HG1 THR 14 HG1 THR 14 2.035 25.269 11.833 93 HG21 THR 14 1HG2 THR 14 4.470 25.879 11.367 94 HG22 THR 14 2HG2 THR 14 4.192 25.794 9.617 95 HG23 THR 14 3HG2 THR 14 5.342 24.681 10.390 96 H ALA 15 H ALA 15 3.215 21.389 11.373 97 HA ALA 15 HA ALA 15 1.085 19.798 10.260 98 HB1 ALA 15 1HB ALA 15 1.717 18.224 11.803 99 HB2 ALA 15 2HB ALA 15 2.008 19.424 13.088 100 HB3 ALA 15 3HB ALA 15 3.196 19.206 11.791 101 H LEU 16 H LEU 16 -0.835 19.187 11.177 102 HA LEU 16 HA LEU 16 -2.008 21.021 13.235 103 HB2 LEU 16 1HB LEU 16 -3.117 19.102 11.175 104 HB3 LEU 16 2HB LEU 16 -4.010 19.412 12.643 105 HG LEU 16 HG LEU 16 -3.313 21.437 10.532 106 HD11 LEU 16 1HD1 LEU 16 -5.728 21.463 10.145 107 HD12 LEU 16 2HD1 LEU 16 -5.975 20.292 11.465 108 HD13 LEU 16 3HD1 LEU 16 -5.109 19.806 9.991 109 HD21 LEU 16 1HD2 LEU 16 -4.811 22.961 11.869 110 HD22 LEU 16 2HD2 LEU 16 -3.251 22.605 12.628 111 HD23 LEU 16 3HD2 LEU 16 -4.726 21.785 13.200 112 H THR 17 H THR 17 -2.358 20.099 15.258 113 HA THR 17 HA THR 17 -1.324 17.292 15.564 114 HB THR 17 HB THR 17 -1.258 19.563 17.592 115 HG1 THR 17 HG1 THR 17 0.160 19.983 15.894 116 HG21 THR 17 1HG2 THR 17 0.422 18.050 18.689 117 HG22 THR 17 2HG2 THR 17 -0.029 16.781 17.529 118 HG23 THR 17 3HG2 THR 17 -1.236 17.408 18.686 119 H GLN 18 H GLN 18 -2.594 15.856 16.653 120 HA GLN 18 HA GLN 18 -5.299 16.875 17.429 121 HB2 GLN 18 1HB GLN 18 -5.401 15.471 15.498 122 HB3 GLN 18 2HB GLN 18 -4.334 14.286 16.200 123 HG2 GLN 18 1HG GLN 18 -6.581 13.385 16.145 124 HG3 GLN 18 2HG GLN 18 -6.103 13.621 17.822 125 HE21 GLN 18 1HE2 GLN 18 -9.605 14.945 16.794 126 HE22 GLN 18 2HE2 GLN 18 -8.720 13.564 16.152 127 H HIS 19 H HIS 19 -6.140 16.485 19.323 128 HA HIS 19 HA HIS 19 -5.080 14.204 20.952 129 HB2 HIS 19 1HB HIS 19 -4.226 16.339 21.912 130 HB3 HIS 19 2HB HIS 19 -5.869 16.983 21.945 131 HD1 HIS 19 HD1 HIS 19 -4.423 16.912 24.605 132 HD2 HIS 19 HD2 HIS 19 -6.636 13.683 23.173 133 HE1 HIS 19 HE1 HIS 19 -5.079 15.516 26.611 134 H GLY 20 H GLY 20 -6.799 12.844 20.410 135 HA2 GLY 20 1HA GLY 20 -9.347 13.222 21.560 136 HA3 GLY 20 2HA GLY 20 -9.432 13.796 19.880 137 H LYS 21 H LYS 21 -11.023 11.917 19.823 138 HA LYS 21 HA LYS 21 -9.643 9.276 19.559 139 HB2 LYS 21 1HB LYS 21 -12.582 10.044 19.735 140 HB3 LYS 21 2HB LYS 21 -11.990 8.403 19.454 141 HG2 LYS 21 1HG LYS 21 -10.777 8.506 21.639 142 HG3 LYS 21 2HG LYS 21 -11.539 10.083 21.940 143 HD2 LYS 21 1HD LYS 21 -13.774 9.031 21.729 144 HD3 LYS 21 2HD LYS 21 -13.001 7.456 21.451 145 HE2 LYS 21 1HE LYS 21 -11.919 7.617 23.688 146 HE3 LYS 21 2HE LYS 21 -12.758 9.158 23.967 147 HZ1 LYS 21 1HZ LYS 21 -14.868 7.966 23.768 148 HZ2 LYS 21 2HZ LYS 21 -13.949 7.302 24.968 149 HZ3 LYS 21 3HZ LYS 21 -14.081 6.538 23.513 150 H GLU 22 H GLU 22 -11.252 11.753 17.697 151 HA GLU 22 HA GLU 22 -11.704 10.011 15.393 152 HB2 GLU 22 1HB GLU 22 -12.425 12.122 14.295 153 HB3 GLU 22 2HB GLU 22 -13.274 11.780 15.794 154 HG2 GLU 22 1HG GLU 22 -11.652 13.367 16.960 155 HG3 GLU 22 2HG GLU 22 -11.102 13.840 15.343 156 H ASP 23 H ASP 23 -10.773 10.451 13.313 157 HA ASP 23 HA ASP 23 -7.884 10.685 13.527 158 HB2 ASP 23 1HB ASP 23 -9.766 9.558 11.728 159 HB3 ASP 23 2HB ASP 23 -8.941 10.809 10.794 160 H LEU 24 H LEU 24 -10.258 12.428 11.505 161 HA LEU 24 HA LEU 24 -9.800 15.092 12.254 162 HB2 LEU 24 1HB LEU 24 -7.511 14.900 11.308 163 HB3 LEU 24 2HB LEU 24 -8.153 14.193 9.843 164 HG LEU 24 HG LEU 24 -9.133 16.296 9.173 165 HD11 LEU 24 1HD1 LEU 24 -9.681 17.234 11.449 166 HD12 LEU 24 2HD1 LEU 24 -8.903 18.379 10.350 167 HD13 LEU 24 3HD1 LEU 24 -7.965 17.617 11.645 168 HD21 LEU 24 1HD2 LEU 24 -7.071 17.586 8.845 169 HD22 LEU 24 2HD2 LEU 24 -6.779 15.846 8.641 170 HD23 LEU 24 3HD2 LEU 24 -6.277 16.658 10.141 171 H LYS 25 H LYS 25 -11.413 16.285 11.054 172 HA LYS 25 HA LYS 25 -12.381 15.147 8.541 173 HB2 LYS 25 1HB LYS 25 -13.536 13.977 10.591 174 HB3 LYS 25 2HB LYS 25 -14.426 15.491 10.764 175 HG2 LYS 25 1HG LYS 25 -14.343 14.133 8.080 176 HG3 LYS 25 2HG LYS 25 -15.364 13.443 9.353 177 HD2 LYS 25 1HD LYS 25 -16.601 15.517 9.576 178 HD3 LYS 25 2HD LYS 25 -15.508 16.327 8.446 179 HE2 LYS 25 1HE LYS 25 -16.164 14.572 6.725 180 HE3 LYS 25 2HE LYS 25 -17.471 14.108 7.843 181 HZ1 LYS 25 1HZ LYS 25 -18.238 15.745 6.261 182 HZ2 LYS 25 2HZ LYS 25 -17.024 16.793 6.664 183 HZ3 LYS 25 3HZ LYS 25 -18.213 16.437 7.760 184 H PHE 26 H PHE 26 -13.092 16.754 7.236 185 HA PHE 26 HA PHE 26 -13.771 19.375 8.510 186 HB2 PHE 26 1HB PHE 26 -12.097 18.755 6.065 187 HB3 PHE 26 2HB PHE 26 -12.901 20.313 6.250 188 HD1 PHE 26 HD1 PHE 26 -9.720 19.255 6.343 189 HD2 PHE 26 HD2 PHE 26 -12.603 20.892 9.135 190 HE1 PHE 26 HE1 PHE 26 -7.898 20.067 7.800 191 HE2 PHE 26 HE2 PHE 26 -10.755 21.734 10.534 192 HZ PHE 26 HZ PHE 26 -8.393 21.311 9.878 193 HA PRO 27 HA PRO 27 -17.553 18.991 6.316 194 HB2 PRO 27 1HB PRO 27 -18.303 21.573 5.826 195 HB3 PRO 27 2HB PRO 27 -18.262 20.873 7.474 196 HG2 PRO 27 1HG PRO 27 -16.255 22.579 6.106 197 HG3 PRO 27 2HG PRO 27 -16.924 22.722 7.746 198 HD2 PRO 27 1HD PRO 27 -14.506 21.584 7.214 199 HD3 PRO 27 2HD PRO 27 -15.555 21.042 8.569 200 H ARG 28 H ARG 28 -18.737 19.523 4.225 201 HA ARG 28 HA ARG 28 -16.918 19.084 2.005 202 HB2 ARG 28 1HB ARG 28 -19.248 18.111 2.239 203 HB3 ARG 28 2HB ARG 28 -19.896 19.736 2.015 204 HG2 ARG 28 1HG ARG 28 -20.141 18.762 -0.084 205 HG3 ARG 28 2HG ARG 28 -18.667 19.721 -0.270 206 HD2 ARG 28 1HD ARG 28 -17.294 17.700 0.050 207 HD3 ARG 28 2HD ARG 28 -18.760 16.741 0.348 208 HE ARG 28 HE ARG 28 -18.970 18.072 -2.177 209 HH11 ARG 28 1HH1 ARG 28 -17.293 15.332 -0.701 210 HH12 ARG 28 2HH1 ARG 28 -17.154 14.485 -2.219 211 HH21 ARG 28 1HH2 ARG 28 -18.751 16.932 -4.070 212 HH22 ARG 28 2HH2 ARG 28 -17.965 15.377 -4.088 213 H GLY 29 H GLY 29 -16.165 20.552 0.509 214 HA2 GLY 29 1HA GLY 29 -16.115 22.520 -0.740 215 HA3 GLY 29 2HA GLY 29 -17.495 23.134 0.185 216 H GLN 30 H GLN 30 -15.130 21.941 2.262 217 HA GLN 30 HA GLN 30 -13.615 24.479 2.512 218 HB2 GLN 30 1HB GLN 30 -15.673 23.314 4.362 219 HB3 GLN 30 2HB GLN 30 -14.253 24.052 5.087 220 HG2 GLN 30 1HG GLN 30 -14.806 26.181 4.198 221 HG3 GLN 30 2HG GLN 30 -16.110 25.488 3.207 222 HE21 GLN 30 1HE2 GLN 30 -16.658 26.132 7.204 223 HE22 GLN 30 2HE2 GLN 30 -15.040 26.176 6.502 224 H GLY 31 H GLY 31 -11.823 24.110 4.140 225 HA2 GLY 31 1HA GLY 31 -11.293 22.417 5.961 226 HA3 GLY 31 2HA GLY 31 -11.372 21.201 4.669 227 H VAL 32 H VAL 32 -10.343 23.042 2.672 228 HA VAL 32 HA VAL 32 -7.578 22.509 3.080 229 HB VAL 32 HB VAL 32 -7.197 23.882 1.100 230 HG11 VAL 32 1HG1 VAL 32 -8.503 22.540 -0.507 231 HG12 VAL 32 2HG1 VAL 32 -9.538 21.996 0.825 232 HG13 VAL 32 3HG1 VAL 32 -7.815 21.563 0.794 233 HG21 VAL 32 1HG2 VAL 32 -8.994 24.842 -0.196 234 HG22 VAL 32 2HG2 VAL 32 -8.800 25.641 1.375 235 HG23 VAL 32 3HG2 VAL 32 -10.139 24.490 1.126 236 HA PRO 33 HA PRO 33 -6.705 26.001 5.637 237 HB2 PRO 33 1HB PRO 33 -3.991 26.061 5.408 238 HB3 PRO 33 2HB PRO 33 -4.851 24.736 6.247 239 HG2 PRO 33 1HG PRO 33 -3.774 24.827 3.481 240 HG3 PRO 33 2HG PRO 33 -3.610 23.560 4.726 241 HD2 PRO 33 1HD PRO 33 -5.442 23.420 2.728 242 HD3 PRO 33 2HD PRO 33 -5.736 22.711 4.356 243 H ILE 34 H ILE 34 -5.351 28.106 5.491 244 HA ILE 34 HA ILE 34 -6.121 29.444 3.028 245 HB ILE 34 HB ILE 34 -4.393 30.361 5.366 246 HG12 ILE 34 1HG1 ILE 34 -7.276 30.963 4.639 247 HG13 ILE 34 2HG1 ILE 34 -6.771 29.810 5.876 248 HG21 ILE 34 1HG2 ILE 34 -3.957 31.620 3.217 249 HG22 ILE 34 2HG2 ILE 34 -4.626 32.625 4.502 250 HG23 ILE 34 3HG2 ILE 34 -5.678 32.063 3.177 251 HD11 ILE 34 1HD1 ILE 34 -5.637 31.656 7.087 252 HD12 ILE 34 2HD1 ILE 34 -7.396 31.836 6.960 253 HD13 ILE 34 3HD1 ILE 34 -6.339 32.792 5.908 254 H ASN 35 H ASN 35 -5.069 29.218 1.221 255 HA ASN 35 HA ASN 35 -2.126 28.684 1.338 256 HB2 ASN 35 1HB ASN 35 -3.949 28.136 -1.009 257 HB3 ASN 35 2HB ASN 35 -2.282 27.633 -0.828 258 HD21 ASN 35 1HD2 ASN 35 -5.298 25.363 0.515 259 HD22 ASN 35 2HD2 ASN 35 -5.553 26.877 -0.324 260 H THR 36 H THR 36 -1.647 30.905 1.609 261 HA THR 36 HA THR 36 -2.653 32.954 -0.120 262 HB THR 36 HB THR 36 -0.836 34.339 0.835 263 HG1 THR 36 HG1 THR 36 0.936 33.143 1.008 264 HG21 THR 36 1HG2 THR 36 -2.828 33.723 2.271 265 HG22 THR 36 2HG2 THR 36 -1.351 34.136 3.170 266 HG23 THR 36 3HG2 THR 36 -1.820 32.433 2.984 267 H ASN 37 H ASN 37 -0.143 30.620 -0.518 268 HA ASN 37 HA ASN 37 1.104 32.190 -2.724 269 HB2 ASN 37 1HB ASN 37 2.094 29.737 -1.227 270 HB3 ASN 37 2HB ASN 37 3.001 30.652 -2.442 271 HD21 ASN 37 1HD2 ASN 37 3.196 31.701 1.372 272 HD22 ASN 37 2HD2 ASN 37 2.586 30.177 0.779 273 H SER 38 H SER 38 -1.480 30.920 -3.050 274 HA SER 38 HA SER 38 -0.763 29.072 -5.256 275 HB2 SER 38 1HB SER 38 -2.834 28.411 -3.127 276 HB3 SER 38 2HB SER 38 -2.370 27.404 -4.505 277 HG SER 38 HG SER 38 -0.160 27.999 -3.240 278 H SER 39 H SER 39 -2.425 28.949 -6.877 279 HA SER 39 HA SER 39 -4.062 31.356 -7.088 280 HB2 SER 39 1HB SER 39 -4.289 28.801 -8.725 281 HB3 SER 39 2HB SER 39 -4.652 30.461 -9.237 282 HG SER 39 HG SER 39 -2.257 29.097 -9.116 283 HA PRO 40 HA PRO 40 -7.636 29.710 -5.175 284 HB2 PRO 40 1HB PRO 40 -9.790 30.219 -6.788 285 HB3 PRO 40 2HB PRO 40 -8.930 31.498 -5.864 286 HG2 PRO 40 1HG PRO 40 -8.549 30.702 -8.740 287 HG3 PRO 40 2HG PRO 40 -8.852 32.330 -8.052 288 HD2 PRO 40 1HD PRO 40 -6.355 31.530 -8.625 289 HD3 PRO 40 2HD PRO 40 -6.686 32.463 -7.124 290 H ASP 41 H ASP 41 -7.049 28.890 -8.535 291 HA ASP 41 HA ASP 41 -8.557 26.516 -8.815 292 HB2 ASP 41 1HB ASP 41 -5.773 27.090 -9.901 293 HB3 ASP 41 2HB ASP 41 -6.997 26.038 -10.620 294 H ASP 42 H ASP 42 -5.620 27.236 -7.077 295 HA ASP 42 HA ASP 42 -4.719 24.431 -7.049 296 HB2 ASP 42 1HB ASP 42 -3.470 27.011 -6.124 297 HB3 ASP 42 2HB ASP 42 -2.693 25.434 -5.980 298 H GLN 43 H GLN 43 -6.675 26.298 -5.031 299 HA GLN 43 HA GLN 43 -5.575 25.782 -2.471 300 HB2 GLN 43 1HB GLN 43 -8.504 25.927 -3.238 301 HB3 GLN 43 2HB GLN 43 -7.840 26.172 -1.621 302 HG2 GLN 43 1HG GLN 43 -7.329 27.929 -4.033 303 HG3 GLN 43 2HG GLN 43 -8.445 28.295 -2.722 304 HE21 GLN 43 1HE2 GLN 43 -4.643 29.414 -2.478 305 HE22 GLN 43 2HE2 GLN 43 -5.465 28.929 -3.944 306 H ILE 44 H ILE 44 -7.353 23.633 -4.581 307 HA ILE 44 HA ILE 44 -8.385 21.776 -2.743 308 HB ILE 44 HB ILE 44 -8.963 21.914 -5.142 309 HG12 ILE 44 1HG1 ILE 44 -7.948 19.122 -4.673 310 HG13 ILE 44 2HG1 ILE 44 -9.253 19.803 -3.700 311 HG21 ILE 44 1HG2 ILE 44 -7.476 20.850 -6.844 312 HG22 ILE 44 2HG2 ILE 44 -6.206 20.722 -5.629 313 HG23 ILE 44 3HG2 ILE 44 -6.791 22.319 -6.145 314 HD11 ILE 44 1HD1 ILE 44 -10.174 18.499 -5.588 315 HD12 ILE 44 2HD1 ILE 44 -9.296 19.519 -6.742 316 HD13 ILE 44 3HD1 ILE 44 -10.598 20.214 -5.756 317 H GLY 45 H GLY 45 -7.747 19.890 -1.787 318 HA2 GLY 45 1HA GLY 45 -5.340 18.518 -2.400 319 HA3 GLY 45 2HA GLY 45 -5.008 19.645 -1.075 320 H TYR 46 H TYR 46 -4.577 17.890 0.312 321 HA TYR 46 HA TYR 46 -7.014 16.952 1.644 322 HB2 TYR 46 1HB TYR 46 -6.452 14.601 1.531 323 HB3 TYR 46 2HB TYR 46 -6.583 15.223 -0.111 324 HD1 TYR 46 HD1 TYR 46 -4.404 13.844 2.459 325 HD2 TYR 46 HD2 TYR 46 -4.521 15.548 -1.488 326 HE1 TYR 46 HE1 TYR 46 -2.106 12.944 1.956 327 HE2 TYR 46 HE2 TYR 46 -2.231 14.686 -1.956 328 HH TYR 46 HH TYR 46 -0.417 13.613 -1.136 329 H TYR 47 H TYR 47 -6.301 15.765 3.724 330 HA TYR 47 HA TYR 47 -3.600 16.797 4.548 331 HB2 TYR 47 1HB TYR 47 -6.022 16.136 6.209 332 HB3 TYR 47 2HB TYR 47 -4.429 16.414 6.872 333 HD1 TYR 47 HD1 TYR 47 -3.883 18.509 7.679 334 HD2 TYR 47 HD2 TYR 47 -6.913 18.201 4.635 335 HE1 TYR 47 HE1 TYR 47 -4.386 20.932 7.911 336 HE2 TYR 47 HE2 TYR 47 -7.386 20.613 4.879 337 HH TYR 47 HH TYR 47 -7.026 22.504 6.121 338 H ARG 48 H ARG 48 -2.185 15.387 5.440 339 HA ARG 48 HA ARG 48 -2.913 12.487 5.218 340 HB2 ARG 48 1HB ARG 48 -1.206 13.558 3.622 341 HB3 ARG 48 2HB ARG 48 -0.138 13.717 5.007 342 HG2 ARG 48 1HG ARG 48 0.159 11.400 5.203 343 HG3 ARG 48 2HG ARG 48 -1.352 11.049 4.348 344 HD2 ARG 48 1HD ARG 48 -0.217 12.204 2.313 345 HD3 ARG 48 2HD ARG 48 1.296 11.934 3.193 346 HE ARG 48 HE ARG 48 0.127 9.466 3.253 347 HH11 ARG 48 1HH1 ARG 48 0.672 11.680 0.547 348 HH12 ARG 48 2HH1 ARG 48 0.830 10.381 -0.602 349 HH21 ARG 48 1HH2 ARG 48 0.330 7.868 1.724 350 HH22 ARG 48 2HH2 ARG 48 0.625 8.264 0.052 351 H ARG 49 H ARG 49 -2.871 11.365 7.090 352 HA ARG 49 HA ARG 49 -1.913 12.572 9.550 353 HB2 ARG 49 1HB ARG 49 -3.689 10.915 9.616 354 HB3 ARG 49 2HB ARG 49 -2.664 9.708 8.840 355 HG2 ARG 49 1HG ARG 49 -1.451 9.278 10.748 356 HG3 ARG 49 2HG ARG 49 -1.704 10.892 11.417 357 HD2 ARG 49 1HD ARG 49 -2.851 8.911 12.594 358 HD3 ARG 49 2HD ARG 49 -3.785 10.377 12.305 359 HE ARG 49 HE ARG 49 -5.271 9.191 11.041 360 HH11 ARG 49 1HH1 ARG 49 -2.329 7.188 11.132 361 HH12 ARG 49 2HH1 ARG 49 -3.157 5.860 10.348 362 HH21 ARG 49 1HH2 ARG 49 -6.189 7.485 10.165 363 HH22 ARG 49 2HH2 ARG 49 -5.294 6.011 9.805 364 H ALA 50 H ALA 50 0.015 12.421 10.537 365 HA ALA 50 HA ALA 50 2.106 10.711 9.259 366 HB1 ALA 50 1HB ALA 50 3.728 12.520 9.717 367 HB2 ALA 50 2HB ALA 50 2.402 13.566 10.287 368 HB3 ALA 50 3HB ALA 50 2.461 13.046 8.583 369 H THR 51 H THR 51 2.987 9.364 10.601 370 HA THR 51 HA THR 51 3.343 10.045 13.465 371 HB THR 51 HB THR 51 2.596 7.517 13.851 372 HG1 THR 51 HG1 THR 51 2.133 7.076 11.677 373 HG21 THR 51 1HG2 THR 51 0.356 8.248 14.436 374 HG22 THR 51 2HG2 THR 51 0.517 9.684 13.403 375 HG23 THR 51 3HG2 THR 51 1.526 9.521 14.862 376 H ARG 52 H ARG 52 5.457 9.712 13.816 377 HA ARG 52 HA ARG 52 6.672 7.180 12.869 378 HB2 ARG 52 1HB ARG 52 7.141 8.848 11.058 379 HB3 ARG 52 2HB ARG 52 7.872 9.916 12.260 380 HG2 ARG 52 1HG ARG 52 9.727 8.893 11.251 381 HG3 ARG 52 2HG ARG 52 9.515 7.969 12.742 382 HD2 ARG 52 1HD ARG 52 9.750 6.211 11.290 383 HD3 ARG 52 2HD ARG 52 8.003 6.437 11.132 384 HE ARG 52 HE ARG 52 8.296 7.299 8.974 385 HH11 ARG 52 1HH1 ARG 52 11.472 6.758 10.435 386 HH12 ARG 52 2HH1 ARG 52 12.304 6.979 8.919 387 HH21 ARG 52 1HH2 ARG 52 9.436 7.550 7.080 388 HH22 ARG 52 2HH2 ARG 52 11.173 7.423 7.061 389 H ARG 53 H ARG 53 7.818 6.331 14.496 390 HA ARG 53 HA ARG 53 9.063 8.180 16.485 391 HB2 ARG 53 1HB ARG 53 7.425 5.682 17.043 392 HB3 ARG 53 2HB ARG 53 8.571 6.376 18.200 393 HG2 ARG 53 1HG ARG 53 7.295 8.567 17.874 394 HG3 ARG 53 2HG ARG 53 6.007 7.544 17.189 395 HD2 ARG 53 1HD ARG 53 6.484 6.111 19.352 396 HD3 ARG 53 2HD ARG 53 7.144 7.627 19.963 397 HE ARG 53 HE ARG 53 4.972 8.703 19.564 398 HH11 ARG 53 1HH1 ARG 53 4.939 5.165 19.739 399 HH12 ARG 53 2HH1 ARG 53 3.245 5.114 20.143 400 HH21 ARG 53 1HH2 ARG 53 2.791 8.540 20.077 401 HH22 ARG 53 2HH2 ARG 53 2.074 6.972 20.346 402 H ILE 54 H ILE 54 10.663 7.056 17.776 403 HA ILE 54 HA ILE 54 12.075 4.899 16.309 404 HB ILE 54 HB ILE 54 14.140 6.066 16.139 405 HG12 ILE 54 1HG1 ILE 54 14.353 7.142 18.248 406 HG13 ILE 54 2HG1 ILE 54 14.585 8.339 16.994 407 HG21 ILE 54 1HG2 ILE 54 13.734 7.991 14.699 408 HG22 ILE 54 2HG2 ILE 54 12.087 8.178 15.341 409 HG23 ILE 54 3HG2 ILE 54 12.513 6.741 14.383 410 HD11 ILE 54 1HD1 ILE 54 12.318 8.049 18.933 411 HD12 ILE 54 2HD1 ILE 54 12.136 8.995 17.442 412 HD13 ILE 54 3HD1 ILE 54 13.371 9.442 18.634 413 H ARG 55 H ARG 55 14.175 4.442 17.773 414 HA ARG 55 HA ARG 55 13.338 4.574 20.650 415 HB2 ARG 55 1HB ARG 55 13.439 2.239 19.688 416 HB3 ARG 55 2HB ARG 55 15.131 2.532 19.267 417 HG2 ARG 55 1HG ARG 55 15.319 3.123 21.862 418 HG3 ARG 55 2HG ARG 55 13.890 2.080 21.965 419 HD2 ARG 55 1HD ARG 55 16.538 1.345 20.664 420 HD3 ARG 55 2HD ARG 55 16.047 0.876 22.302 421 HE ARG 55 HE ARG 55 14.021 0.001 20.552 422 HH11 ARG 55 1HH1 ARG 55 17.423 -0.743 21.139 423 HH12 ARG 55 2HH1 ARG 55 17.254 -2.387 20.584 424 HH21 ARG 55 1HH2 ARG 55 13.881 -2.120 19.876 425 HH22 ARG 55 2HH2 ARG 55 15.288 -3.147 19.885 426 H GLY 56 H GLY 56 14.445 6.362 21.377 427 HA2 GLY 56 1HA GLY 56 17.149 6.917 20.353 428 HA3 GLY 56 2HA GLY 56 16.241 7.870 21.557 429 H GLY 57 H GLY 57 19.074 6.598 21.606 430 HA2 GLY 57 1HA GLY 57 18.959 4.371 23.383 431 HA3 GLY 57 2HA GLY 57 20.363 5.422 23.121 432 H ASP 58 H ASP 58 19.158 7.868 23.956 433 HA ASP 58 HA ASP 58 19.388 7.509 26.853 434 HB2 ASP 58 1HB ASP 58 18.801 10.047 25.351 435 HB3 ASP 58 2HB ASP 58 19.578 9.866 26.916 436 H GLY 59 H GLY 59 16.922 6.899 24.982 437 HA2 GLY 59 1HA GLY 59 14.721 6.467 25.632 438 HA3 GLY 59 2HA GLY 59 14.960 7.471 27.073 439 H LYS 60 H LYS 60 15.875 8.778 23.996 440 HA LYS 60 HA LYS 60 13.823 10.838 24.378 441 HB2 LYS 60 1HB LYS 60 15.967 10.721 22.244 442 HB3 LYS 60 2HB LYS 60 15.044 12.133 22.778 443 HG2 LYS 60 1HG LYS 60 17.278 10.674 24.176 444 HG3 LYS 60 2HG LYS 60 17.204 12.373 23.722 445 HD2 LYS 60 1HD LYS 60 15.395 12.683 25.485 446 HD3 LYS 60 2HD LYS 60 15.668 10.992 25.969 447 HE2 LYS 60 1HE LYS 60 18.202 11.853 26.029 448 HE3 LYS 60 2HE LYS 60 17.386 13.384 26.401 449 HZ1 LYS 60 1HZ LYS 60 17.879 12.106 28.408 450 HZ2 LYS 60 2HZ LYS 60 17.020 10.808 27.854 451 HZ3 LYS 60 3HZ LYS 60 16.244 12.222 28.223 452 H MET 61 H MET 61 12.077 11.109 23.246 453 HA MET 61 HA MET 61 11.489 9.168 21.071 454 HB2 MET 61 1HB MET 61 9.617 11.019 22.596 455 HB3 MET 61 2HB MET 61 9.151 9.722 21.488 456 HG2 MET 61 1HG MET 61 10.530 9.421 24.176 457 HG3 MET 61 2HG MET 61 8.853 9.006 23.798 458 HE1 MET 61 1HE MET 61 8.105 6.808 22.700 459 HE2 MET 61 2HE MET 61 9.165 5.753 21.734 460 HE3 MET 61 3HE MET 61 8.806 7.402 21.175 461 H LYS 62 H LYS 62 10.322 9.989 19.171 462 HA LYS 62 HA LYS 62 11.417 12.584 18.302 463 HB2 LYS 62 1HB LYS 62 11.462 10.821 16.661 464 HB3 LYS 62 2HB LYS 62 9.767 10.431 16.916 465 HG2 LYS 62 1HG LYS 62 10.165 11.620 14.771 466 HG3 LYS 62 2HG LYS 62 9.060 12.493 15.834 467 HD2 LYS 62 1HD LYS 62 10.559 14.083 14.785 468 HD3 LYS 62 2HD LYS 62 10.912 14.019 16.510 469 HE2 LYS 62 1HE LYS 62 12.851 12.515 16.040 470 HE3 LYS 62 2HE LYS 62 12.512 12.667 14.300 471 HZ1 LYS 62 1HZ LYS 62 14.201 14.255 15.033 472 HZ2 LYS 62 2HZ LYS 62 13.162 14.920 16.129 473 HZ3 LYS 62 3HZ LYS 62 12.860 15.064 14.515 474 H ASP 63 H ASP 63 8.229 11.059 18.779 475 HA ASP 63 HA ASP 63 7.096 13.517 19.814 476 HB2 ASP 63 1HB ASP 63 6.988 13.633 17.181 477 HB3 ASP 63 2HB ASP 63 5.753 12.376 17.347 478 H LEU 64 H LEU 64 4.856 13.001 20.508 479 HA LEU 64 HA LEU 64 4.437 10.050 20.880 480 HB2 LEU 64 1HB LEU 64 3.718 12.369 22.707 481 HB3 LEU 64 2HB LEU 64 3.153 10.726 22.919 482 HG LEU 64 HG LEU 64 4.815 11.036 24.518 483 HD11 LEU 64 1HD1 LEU 64 6.497 9.380 24.005 484 HD12 LEU 64 2HD1 LEU 64 6.242 9.585 22.258 485 HD13 LEU 64 3HD1 LEU 64 4.960 8.879 23.275 486 HD21 LEU 64 1HD2 LEU 64 7.026 11.900 24.195 487 HD22 LEU 64 2HD2 LEU 64 5.879 13.060 23.495 488 HD23 LEU 64 3HD2 LEU 64 6.808 11.980 22.433 489 H SER 65 H SER 65 3.104 13.240 20.131 490 HA SER 65 HA SER 65 0.367 12.236 19.969 491 HB2 SER 65 1HB SER 65 1.570 14.914 19.186 492 HB3 SER 65 2HB SER 65 -0.161 14.560 19.395 493 HG SER 65 HG SER 65 0.894 15.529 21.251 494 HA PRO 66 HA PRO 66 0.520 11.582 15.572 495 HB2 PRO 66 1HB PRO 66 -2.110 11.586 14.892 496 HB3 PRO 66 2HB PRO 66 -1.399 10.266 15.880 497 HG2 PRO 66 1HG PRO 66 -2.944 12.687 16.774 498 HG3 PRO 66 2HG PRO 66 -3.165 10.975 17.243 499 HD2 PRO 66 1HD PRO 66 -1.772 12.787 18.757 500 HD3 PRO 66 2HD PRO 66 -1.373 11.034 18.721 501 H ARG 67 H ARG 67 0.616 12.850 13.697 502 HA ARG 67 HA ARG 67 -0.447 15.634 13.930 503 HB2 ARG 67 1HB ARG 67 1.945 14.555 12.407 504 HB3 ARG 67 2HB ARG 67 1.429 16.240 12.487 505 HG2 ARG 67 1HG ARG 67 1.810 16.182 14.936 506 HG3 ARG 67 2HG ARG 67 2.500 14.550 14.745 507 HD2 ARG 67 1HD ARG 67 4.186 15.371 13.270 508 HD3 ARG 67 2HD ARG 67 3.389 16.944 13.203 509 HE ARG 67 HE ARG 67 4.388 15.899 15.812 510 HH11 ARG 67 1HH1 ARG 67 4.647 18.378 13.297 511 HH12 ARG 67 2HH1 ARG 67 5.622 19.429 14.301 512 HH21 ARG 67 1HH2 ARG 67 5.627 17.230 16.994 513 HH22 ARG 67 2HH2 ARG 67 6.183 18.769 16.360 514 H TRP 68 H TRP 68 -0.900 16.680 11.896 515 HA TRP 68 HA TRP 68 -1.395 14.860 9.580 516 HB2 TRP 68 1HB TRP 68 -3.250 16.942 10.774 517 HB3 TRP 68 2HB TRP 68 -3.403 16.359 9.112 518 HD1 TRP 68 HD1 TRP 68 -3.645 15.046 12.729 519 HE1 TRP 68 HE1 TRP 68 -5.170 13.010 12.796 520 HE3 TRP 68 HE3 TRP 68 -4.347 14.524 7.700 521 HZ2 TRP 68 HZ2 TRP 68 -6.519 11.389 10.917 522 HZ3 TRP 68 HZ3 TRP 68 -5.832 12.691 6.875 523 HH2 TRP 68 HH2 TRP 68 -6.918 11.137 8.495 524 H TYR 69 H TYR 69 -0.880 15.861 7.612 525 HA TYR 69 HA TYR 69 0.066 18.710 7.773 526 HB2 TYR 69 1HB TYR 69 1.402 16.302 6.487 527 HB3 TYR 69 2HB TYR 69 1.785 17.965 6.059 528 HD1 TYR 69 HD1 TYR 69 2.111 15.396 8.711 529 HD2 TYR 69 HD2 TYR 69 3.001 19.453 7.594 530 HE1 TYR 69 HE1 TYR 69 3.812 15.539 10.537 531 HE2 TYR 69 HE2 TYR 69 4.700 19.579 9.401 532 HH TYR 69 HH TYR 69 5.720 18.512 11.118 533 H PHE 70 H PHE 70 -0.302 19.881 5.795 534 HA PHE 70 HA PHE 70 -2.502 18.711 4.210 535 HB2 PHE 70 1HB PHE 70 -2.822 20.968 5.136 536 HB3 PHE 70 2HB PHE 70 -1.382 21.535 4.281 537 HD1 PHE 70 HD1 PHE 70 -4.678 19.844 3.601 538 HD2 PHE 70 HD2 PHE 70 -1.647 22.529 2.154 539 HE1 PHE 70 HE1 PHE 70 -6.108 20.389 1.633 540 HE2 PHE 70 HE2 PHE 70 -3.074 23.082 0.184 541 HZ PHE 70 HZ PHE 70 -5.315 22.022 -0.072 542 H TYR 71 H TYR 71 -2.363 18.203 2.144 543 HA TYR 71 HA TYR 71 0.176 18.777 0.691 544 HB2 TYR 71 1HB TYR 71 -0.932 16.239 1.693 545 HB3 TYR 71 2HB TYR 71 -0.509 16.211 -0.039 546 HD1 TYR 71 HD1 TYR 71 0.830 16.811 3.399 547 HD2 TYR 71 HD2 TYR 71 1.797 16.149 -0.736 548 HE1 TYR 71 HE1 TYR 71 3.218 16.477 4.008 549 HE2 TYR 71 HE2 TYR 71 4.181 15.793 -0.121 550 HH TYR 71 HH TYR 71 5.708 15.658 1.545 551 H TYR 72 H TYR 72 -0.157 19.099 -1.464 552 HA TYR 72 HA TYR 72 -2.884 19.692 -2.238 553 HB2 TYR 72 1HB TYR 72 -0.254 19.891 -3.726 554 HB3 TYR 72 2HB TYR 72 -1.822 20.448 -4.326 555 HD1 TYR 72 HD1 TYR 72 0.774 21.072 -1.727 556 HD2 TYR 72 HD2 TYR 72 -2.863 22.476 -3.556 557 HE1 TYR 72 HE1 TYR 72 1.009 23.257 -0.562 558 HE2 TYR 72 HE2 TYR 72 -2.581 24.672 -2.409 559 HH TYR 72 HH TYR 72 -1.332 25.882 -0.894 560 H LEU 73 H LEU 73 -3.844 18.968 -4.262 561 HA LEU 73 HA LEU 73 -4.218 16.198 -4.380 562 HB2 LEU 73 1HB LEU 73 -5.257 18.460 -5.563 563 HB3 LEU 73 2HB LEU 73 -4.485 17.684 -6.931 564 HG LEU 73 HG LEU 73 -6.729 16.562 -5.228 565 HD11 LEU 73 1HD1 LEU 73 -8.048 16.859 -7.232 566 HD12 LEU 73 2HD1 LEU 73 -6.613 17.325 -8.168 567 HD13 LEU 73 3HD1 LEU 73 -7.223 18.388 -6.885 568 HD21 LEU 73 1HD2 LEU 73 -6.818 14.740 -6.956 569 HD22 LEU 73 2HD2 LEU 73 -5.407 14.657 -5.894 570 HD23 LEU 73 3HD2 LEU 73 -5.236 15.288 -7.551 571 H GLY 74 H GLY 74 -3.308 14.483 -5.504 572 HA2 GLY 74 1HA GLY 74 -1.975 13.370 -7.018 573 HA3 GLY 74 2HA GLY 74 -1.771 14.895 -7.879 574 H THR 75 H THR 75 -0.741 14.228 -4.510 575 HA THR 75 HA THR 75 2.055 14.676 -5.456 576 HB THR 75 HB THR 75 2.452 15.211 -2.975 577 HG1 THR 75 HG1 THR 75 -0.280 15.863 -2.862 578 HG21 THR 75 1HG2 THR 75 1.534 17.512 -3.199 579 HG22 THR 75 2HG2 THR 75 0.595 16.991 -4.616 580 HG23 THR 75 3HG2 THR 75 2.373 16.978 -4.671 581 H GLY 76 H GLY 76 3.707 13.400 -4.759 582 HA2 GLY 76 1HA GLY 76 4.558 11.555 -3.397 583 HA3 GLY 76 2HA GLY 76 2.951 10.796 -3.483 584 HA PRO 77 HA PRO 77 5.758 10.216 -7.351 585 HB2 PRO 77 1HB PRO 77 7.157 7.887 -6.920 586 HB3 PRO 77 2HB PRO 77 7.760 9.507 -6.453 587 HG2 PRO 77 1HG PRO 77 6.349 7.470 -4.739 588 HG3 PRO 77 2HG PRO 77 7.865 8.365 -4.410 589 HD2 PRO 77 1HD PRO 77 5.510 9.177 -3.393 590 HD3 PRO 77 2HD PRO 77 6.728 10.365 -3.978 591 H GLU 78 H GLU 78 4.555 7.336 -5.562 592 HA GLU 78 HA GLU 78 3.100 6.518 -8.049 593 HB2 GLU 78 1HB GLU 78 4.356 4.795 -5.877 594 HB3 GLU 78 2HB GLU 78 3.367 4.185 -7.214 595 HG2 GLU 78 1HG GLU 78 5.014 4.947 -8.838 596 HG3 GLU 78 2HG GLU 78 5.992 5.672 -7.548 597 H ALA 79 H ALA 79 2.121 8.376 -6.198 598 HA ALA 79 HA ALA 79 0.635 7.140 -4.079 599 HB1 ALA 79 1HB ALA 79 -0.635 9.299 -4.052 600 HB2 ALA 79 2HB ALA 79 0.195 9.781 -5.551 601 HB3 ALA 79 3HB ALA 79 1.126 9.537 -4.057 602 H GLY 80 H GLY 80 -0.214 8.042 -7.429 603 HA2 GLY 80 1HA GLY 80 -1.963 7.400 -8.770 604 HA3 GLY 80 2HA GLY 80 -2.018 5.921 -7.804 605 H LEU 81 H LEU 81 -2.607 9.038 -6.261 606 HA LEU 81 HA LEU 81 -5.324 8.084 -5.687 607 HB2 LEU 81 1HB LEU 81 -3.432 10.048 -4.403 608 HB3 LEU 81 2HB LEU 81 -5.123 9.979 -3.998 609 HG LEU 81 HG LEU 81 -3.205 7.698 -3.612 610 HD11 LEU 81 1HD1 LEU 81 -3.241 8.274 -1.255 611 HD12 LEU 81 2HD1 LEU 81 -4.392 9.593 -1.553 612 HD13 LEU 81 3HD1 LEU 81 -2.733 9.693 -2.186 613 HD21 LEU 81 1HD2 LEU 81 -4.970 6.659 -2.301 614 HD22 LEU 81 2HD2 LEU 81 -5.588 7.003 -3.928 615 HD23 LEU 81 3HD2 LEU 81 -6.036 8.053 -2.560 616 HA PRO 82 HA PRO 82 -6.834 11.625 -8.061 617 HB2 PRO 82 1HB PRO 82 -9.326 10.626 -8.493 618 HB3 PRO 82 2HB PRO 82 -7.918 10.038 -9.439 619 HG2 PRO 82 1HG PRO 82 -9.241 8.813 -7.035 620 HG3 PRO 82 2HG PRO 82 -8.723 8.035 -8.553 621 HD2 PRO 82 1HD PRO 82 -7.272 7.954 -6.285 622 HD3 PRO 82 2HD PRO 82 -6.553 7.886 -7.912 623 H TYR 83 H TYR 83 -8.754 13.068 -7.461 624 HA TYR 83 HA TYR 83 -8.844 13.474 -4.641 625 HB2 TYR 83 1HB TYR 83 -9.252 15.209 -6.382 626 HB3 TYR 83 2HB TYR 83 -10.792 14.432 -6.763 627 HD1 TYR 83 HD1 TYR 83 -12.714 14.657 -5.259 628 HD2 TYR 83 HD2 TYR 83 -8.911 16.378 -4.225 629 HE1 TYR 83 HE1 TYR 83 -13.793 15.963 -3.430 630 HE2 TYR 83 HE2 TYR 83 -9.995 17.684 -2.414 631 HH TYR 83 HH TYR 83 -13.502 17.437 -1.734 632 H GLY 84 H GLY 84 -10.118 12.645 -3.085 633 HA2 GLY 84 1HA GLY 84 -12.126 11.820 -2.193 634 HA3 GLY 84 2HA GLY 84 -12.701 11.426 -3.812 635 H ALA 85 H ALA 85 -9.663 10.132 -3.830 636 HA ALA 85 HA ALA 85 -10.654 7.466 -3.559 637 HB1 ALA 85 1HB ALA 85 -8.815 7.822 -4.957 638 HB2 ALA 85 2HB ALA 85 -8.211 6.864 -3.592 639 HB3 ALA 85 3HB ALA 85 -7.872 8.615 -3.678 640 H ASN 86 H ASN 86 -10.861 6.117 -1.918 641 HA ASN 86 HA ASN 86 -10.509 7.122 0.776 642 HB2 ASN 86 1HB ASN 86 -12.372 5.604 -0.094 643 HB3 ASN 86 2HB ASN 86 -11.192 4.284 -0.077 644 HD21 ASN 86 1HD2 ASN 86 -13.210 4.489 3.116 645 HD22 ASN 86 2HD2 ASN 86 -13.660 4.537 1.429 646 H LYS 87 H LYS 87 -8.793 6.913 2.082 647 HA LYS 87 HA LYS 87 -7.083 4.544 1.963 648 HB2 LYS 87 1HB LYS 87 -6.137 6.070 0.223 649 HB3 LYS 87 2HB LYS 87 -5.962 7.313 1.438 650 HG2 LYS 87 1HG LYS 87 -4.109 6.373 2.381 651 HG3 LYS 87 2HG LYS 87 -4.680 4.713 2.109 652 HD2 LYS 87 1HD LYS 87 -3.677 6.523 -0.080 653 HD3 LYS 87 2HD LYS 87 -2.636 5.399 0.793 654 HE2 LYS 87 1HE LYS 87 -5.121 4.612 -0.811 655 HE3 LYS 87 2HE LYS 87 -3.460 4.503 -1.414 656 HZ1 LYS 87 1HZ LYS 87 -3.005 2.892 0.339 657 HZ2 LYS 87 2HZ LYS 87 -4.250 2.382 -0.615 658 HZ3 LYS 87 3HZ LYS 87 -4.560 2.993 0.885 659 H ASP 88 H ASP 88 -5.847 4.365 3.899 660 HA ASP 88 HA ASP 88 -7.069 5.516 6.214 661 HB2 ASP 88 1HB ASP 88 -5.838 3.358 6.256 662 HB3 ASP 88 2HB ASP 88 -4.327 4.229 5.939 663 H GLY 89 H GLY 89 -6.657 7.310 7.360 664 HA2 GLY 89 1HA GLY 89 -5.591 9.209 8.084 665 HA3 GLY 89 2HA GLY 89 -4.086 8.559 7.425 666 H ILE 90 H ILE 90 -6.884 9.052 5.332 667 HA ILE 90 HA ILE 90 -5.606 11.534 4.268 668 HB ILE 90 HB ILE 90 -6.803 9.245 2.619 669 HG12 ILE 90 1HG1 ILE 90 -4.531 8.740 3.471 670 HG13 ILE 90 2HG1 ILE 90 -4.601 8.871 1.721 671 HG21 ILE 90 1HG2 ILE 90 -5.935 10.659 0.650 672 HG22 ILE 90 2HG2 ILE 90 -5.733 11.996 1.812 673 HG23 ILE 90 3HG2 ILE 90 -7.343 11.313 1.505 674 HD11 ILE 90 1HD1 ILE 90 -3.686 11.164 3.434 675 HD12 ILE 90 2HD1 ILE 90 -3.464 10.902 1.686 676 HD13 ILE 90 3HD1 ILE 90 -2.608 9.867 2.845 677 H ILE 91 H ILE 91 -6.951 13.169 4.055 678 HA ILE 91 HA ILE 91 -9.862 12.580 3.682 679 HB ILE 91 HB ILE 91 -10.387 14.636 5.061 680 HG12 ILE 91 1HG1 ILE 91 -7.985 14.384 6.730 681 HG13 ILE 91 2HG1 ILE 91 -7.606 14.943 5.123 682 HG21 ILE 91 1HG2 ILE 91 -9.129 12.338 6.623 683 HG22 ILE 91 2HG2 ILE 91 -10.752 12.313 5.894 684 HG23 ILE 91 3HG2 ILE 91 -10.386 13.466 7.195 685 HD11 ILE 91 1HD1 ILE 91 -8.063 16.811 6.648 686 HD12 ILE 91 2HD1 ILE 91 -9.722 16.208 6.879 687 HD13 ILE 91 3HD1 ILE 91 -9.175 16.766 5.271 688 H TRP 92 H TRP 92 -10.427 13.325 1.753 689 HA TRP 92 HA TRP 92 -8.832 15.394 0.456 690 HB2 TRP 92 1HB TRP 92 -11.320 13.889 -0.398 691 HB3 TRP 92 2HB TRP 92 -10.405 15.001 -1.424 692 HD1 TRP 92 HD1 TRP 92 -10.298 11.502 -0.002 693 HE1 TRP 92 HE1 TRP 92 -8.363 10.183 -0.954 694 HE3 TRP 92 HE3 TRP 92 -7.947 15.374 -2.378 695 HZ2 TRP 92 HZ2 TRP 92 -6.043 10.739 -2.487 696 HZ3 TRP 92 HZ3 TRP 92 -5.825 14.895 -3.615 697 HH2 TRP 92 HH2 TRP 92 -4.886 12.579 -3.670 698 H VAL 93 H VAL 93 -9.249 17.483 0.210 699 HA VAL 93 HA VAL 93 -11.943 18.520 0.929 700 HB VAL 93 HB VAL 93 -10.659 20.393 2.198 701 HG11 VAL 93 1HG1 VAL 93 -10.682 19.099 4.308 702 HG12 VAL 93 2HG1 VAL 93 -10.838 17.592 3.381 703 HG13 VAL 93 3HG1 VAL 93 -12.135 18.812 3.330 704 HG21 VAL 93 1HG2 VAL 93 -8.515 19.883 3.138 705 HG22 VAL 93 2HG2 VAL 93 -8.364 19.492 1.414 706 HG23 VAL 93 3HG2 VAL 93 -8.585 18.190 2.603 707 H ALA 94 H ALA 94 -12.396 20.588 0.029 708 HA ALA 94 HA ALA 94 -10.445 21.850 -1.751 709 HB1 ALA 94 1HB ALA 94 -11.389 19.939 -3.132 710 HB2 ALA 94 2HB ALA 94 -11.763 21.549 -3.787 711 HB3 ALA 94 3HB ALA 94 -13.007 20.636 -2.899 712 H THR 95 H THR 95 -11.545 23.808 -2.718 713 HA THR 95 HA THR 95 -13.896 24.695 -1.111 714 HB THR 95 HB THR 95 -11.741 25.818 -0.338 715 HG1 THR 95 HG1 THR 95 -13.118 27.889 -1.512 716 HG21 THR 95 1HG2 THR 95 -10.692 27.467 -1.757 717 HG22 THR 95 2HG2 THR 95 -11.845 27.147 -3.071 718 HG23 THR 95 3HG2 THR 95 -10.657 25.907 -2.602 719 H GLU 96 H GLU 96 -14.984 26.538 -2.370 720 HA GLU 96 HA GLU 96 -15.577 25.549 -4.992 721 HB2 GLU 96 1HB GLU 96 -17.128 26.787 -3.457 722 HB3 GLU 96 2HB GLU 96 -16.226 28.269 -3.797 723 HG2 GLU 96 1HG GLU 96 -16.853 28.174 -6.135 724 HG3 GLU 96 2HG GLU 96 -17.583 26.574 -5.915 725 H GLY 97 H GLY 97 -14.842 26.152 -6.960 726 HA2 GLY 97 1HA GLY 97 -13.855 27.619 -8.530 727 HA3 GLY 97 2HA GLY 97 -13.110 28.536 -7.213 728 H ALA 98 H ALA 98 -12.438 25.566 -6.211 729 HA ALA 98 HA ALA 98 -9.752 25.648 -7.318 730 HB1 ALA 98 1HB ALA 98 -10.308 25.043 -4.967 731 HB2 ALA 98 2HB ALA 98 -9.305 23.847 -5.816 732 HB3 ALA 98 3HB ALA 98 -11.048 23.540 -5.577 733 H LEU 99 H LEU 99 -8.784 24.219 -8.765 734 HA LEU 99 HA LEU 99 -10.694 22.754 -10.488 735 HB2 LEU 99 1HB LEU 99 -7.764 23.439 -10.755 736 HB3 LEU 99 2HB LEU 99 -8.608 22.388 -11.873 737 HG LEU 99 HG LEU 99 -9.140 25.337 -11.452 738 HD11 LEU 99 1HD1 LEU 99 -8.276 25.438 -13.770 739 HD12 LEU 99 2HD1 LEU 99 -8.006 23.672 -13.743 740 HD13 LEU 99 3HD1 LEU 99 -7.079 24.747 -12.662 741 HD21 LEU 99 1HD2 LEU 99 -10.664 25.102 -13.416 742 HD22 LEU 99 2HD2 LEU 99 -11.270 24.266 -11.978 743 HD23 LEU 99 3HD2 LEU 99 -10.515 23.333 -13.297 744 H ASN 100 H ASN 100 -10.800 20.663 -10.766 745 HA ASN 100 HA ASN 100 -9.397 18.926 -8.861 746 HB2 ASN 100 1HB ASN 100 -11.821 18.657 -9.410 747 HB3 ASN 100 2HB ASN 100 -11.373 18.234 -11.068 748 HD21 ASN 100 1HD2 ASN 100 -11.456 14.906 -10.052 749 HD22 ASN 100 2HD2 ASN 100 -12.117 16.162 -11.068 750 H THR 101 H THR 101 -7.269 19.584 -9.882 751 HA THR 101 HA THR 101 -6.554 17.538 -11.910 752 HB THR 101 HB THR 101 -7.058 19.881 -12.981 753 HG1 THR 101 HG1 THR 101 -5.387 19.547 -14.446 754 HG21 THR 101 1HG2 THR 101 -5.272 21.483 -12.946 755 HG22 THR 101 2HG2 THR 101 -4.262 20.410 -11.946 756 HG23 THR 101 3HG2 THR 101 -5.737 21.149 -11.263 757 HA PRO 102 HA PRO 102 -3.166 16.975 -9.154 758 HB2 PRO 102 1HB PRO 102 -1.277 17.018 -11.496 759 HB3 PRO 102 2HB PRO 102 -1.503 15.755 -10.244 760 HG2 PRO 102 1HG PRO 102 -2.435 15.382 -12.684 761 HG3 PRO 102 2HG PRO 102 -3.442 14.949 -11.264 762 HD2 PRO 102 1HD PRO 102 -3.568 17.404 -13.000 763 HD3 PRO 102 2HD PRO 102 -4.897 16.324 -12.454 764 H LYS 103 H LYS 103 -1.553 18.010 -8.032 765 HA LYS 103 HA LYS 103 -0.689 20.700 -9.032 766 HB2 LYS 103 1HB LYS 103 -1.348 19.828 -6.214 767 HB3 LYS 103 2HB LYS 103 -0.892 21.448 -6.713 768 HG2 LYS 103 1HG LYS 103 -3.446 19.986 -7.449 769 HG3 LYS 103 2HG LYS 103 -3.306 21.276 -6.257 770 HD2 LYS 103 1HD LYS 103 -2.670 22.863 -8.015 771 HD3 LYS 103 2HD LYS 103 -2.751 21.582 -9.235 772 HE2 LYS 103 1HE LYS 103 -5.138 21.251 -8.758 773 HE3 LYS 103 2HE LYS 103 -5.061 22.515 -7.520 774 HZ1 LYS 103 1HZ LYS 103 -5.873 23.523 -9.453 775 HZ2 LYS 103 2HZ LYS 103 -4.711 22.859 -10.426 776 HZ3 LYS 103 3HZ LYS 103 -4.305 24.034 -9.334 777 H ASP 104 H ASP 104 0.671 18.351 -9.515 778 HA ASP 104 HA ASP 104 2.514 17.373 -7.680 779 HB2 ASP 104 1HB ASP 104 3.815 16.712 -9.644 780 HB3 ASP 104 2HB ASP 104 2.088 16.509 -9.981 781 H HIS 105 H HIS 105 2.866 20.170 -9.816 782 HA HIS 105 HA HIS 105 5.570 20.796 -9.103 783 HB2 HIS 105 1HB HIS 105 5.100 22.888 -10.349 784 HB3 HIS 105 2HB HIS 105 4.600 21.438 -11.231 785 HD1 HIS 105 HD1 HIS 105 1.965 20.941 -11.422 786 HD2 HIS 105 HD2 HIS 105 3.025 24.673 -9.774 787 HE1 HIS 105 HE1 HIS 105 -0.148 22.390 -11.382 788 H ILE 106 H ILE 106 2.717 21.233 -7.292 789 HA ILE 106 HA ILE 106 3.791 23.656 -5.952 790 HB ILE 106 HB ILE 106 1.151 22.176 -5.452 791 HG12 ILE 106 1HG1 ILE 106 1.796 24.638 -7.132 792 HG13 ILE 106 2HG1 ILE 106 1.286 23.061 -7.739 793 HG21 ILE 106 1HG2 ILE 106 0.510 24.235 -4.230 794 HG22 ILE 106 2HG2 ILE 106 2.080 24.984 -4.609 795 HG23 ILE 106 3HG2 ILE 106 1.992 23.575 -3.528 796 HD11 ILE 106 1HD1 ILE 106 -0.661 24.242 -7.864 797 HD12 ILE 106 2HD1 ILE 106 -0.330 25.175 -6.383 798 HD13 ILE 106 3HD1 ILE 106 -0.839 23.472 -6.270 799 H GLY 107 H GLY 107 3.063 20.190 -5.383 800 HA2 GLY 107 1HA GLY 107 3.732 20.313 -2.581 801 HA3 GLY 107 2HA GLY 107 3.547 18.858 -3.557 802 H THR 108 H THR 108 5.835 20.738 -5.076 803 HA THR 108 HA THR 108 7.982 18.982 -4.158 804 HB THR 108 HB THR 108 7.513 19.594 -6.580 805 HG1 THR 108 HG1 THR 108 9.786 19.858 -7.031 806 HG21 THR 108 1HG2 THR 108 7.200 22.094 -6.095 807 HG22 THR 108 2HG2 THR 108 8.213 21.677 -7.491 808 HG23 THR 108 3HG2 THR 108 8.972 22.186 -5.968 809 H ARG 109 H ARG 109 6.868 21.295 -2.379 810 HA ARG 109 HA ARG 109 8.901 23.278 -2.135 811 HB2 ARG 109 1HB ARG 109 6.659 23.319 -0.952 812 HB3 ARG 109 2HB ARG 109 7.284 22.085 0.152 813 HG2 ARG 109 1HG ARG 109 9.165 23.690 0.745 814 HG3 ARG 109 2HG ARG 109 8.343 24.915 -0.232 815 HD2 ARG 109 1HD ARG 109 7.720 25.313 2.020 816 HD3 ARG 109 2HD ARG 109 6.328 24.581 1.234 817 HE ARG 109 HE ARG 109 6.526 22.710 2.591 818 HH11 ARG 109 1HH1 ARG 109 9.413 24.705 3.070 819 HH12 ARG 109 2HH1 ARG 109 9.889 23.814 4.479 820 HH21 ARG 109 1HH2 ARG 109 7.177 21.671 4.387 821 HH22 ARG 109 2HH2 ARG 109 8.666 22.106 5.203 822 H ASN 110 H ASN 110 10.926 23.233 -1.333 823 HA ASN 110 HA ASN 110 11.824 20.670 -0.108 824 HB2 ASN 110 1HB ASN 110 13.011 22.571 -1.979 825 HB3 ASN 110 2HB ASN 110 14.047 22.302 -0.570 826 HD21 ASN 110 1HD2 ASN 110 14.400 19.717 -3.399 827 HD22 ASN 110 2HD2 ASN 110 14.055 21.423 -3.522 828 HA PRO 111 HA PRO 111 11.769 23.160 3.559 829 HB2 PRO 111 1HB PRO 111 12.834 21.441 5.379 830 HB3 PRO 111 2HB PRO 111 11.198 21.199 4.685 831 HG2 PRO 111 1HG PRO 111 13.806 19.953 3.846 832 HG3 PRO 111 2HG PRO 111 12.241 19.156 4.208 833 HD2 PRO 111 1HD PRO 111 13.010 19.731 1.670 834 HD3 PRO 111 2HD PRO 111 11.293 19.852 2.177 835 H ALA 112 H ALA 112 14.619 21.882 2.078 836 HA ALA 112 HA ALA 112 16.543 23.139 3.840 837 HB1 ALA 112 1HB ALA 112 18.134 22.584 2.008 838 HB2 ALA 112 2HB ALA 112 16.772 22.130 0.956 839 HB3 ALA 112 3HB ALA 112 17.120 21.183 2.428 840 H ASN 113 H ASN 113 14.574 24.130 1.134 841 HA ASN 113 HA ASN 113 16.260 26.540 0.693 842 HB2 ASN 113 1HB ASN 113 14.028 25.315 -0.967 843 HB3 ASN 113 2HB ASN 113 14.959 26.753 -1.398 844 HD21 ASN 113 1HD2 ASN 113 16.326 23.606 -2.985 845 HD22 ASN 113 2HD2 ASN 113 14.704 24.239 -2.830 846 H ASN 114 H ASN 114 13.132 25.574 1.931 847 HA ASN 114 HA ASN 114 12.488 28.419 2.426 848 HB2 ASN 114 1HB ASN 114 11.432 28.067 0.297 849 HB3 ASN 114 2HB ASN 114 10.738 26.521 0.833 850 HD21 ASN 114 1HD2 ASN 114 7.939 27.951 2.225 851 HD22 ASN 114 2HD2 ASN 114 8.754 26.589 1.496 852 H ALA 115 H ALA 115 10.945 28.777 4.056 853 HA ALA 115 HA ALA 115 10.716 26.533 5.970 854 HB1 ALA 115 1HB ALA 115 11.564 28.720 6.754 855 HB2 ALA 115 2HB ALA 115 10.033 28.297 7.558 856 HB3 ALA 115 3HB ALA 115 10.041 29.494 6.243 857 H ALA 116 H ALA 116 8.767 25.855 6.872 858 HA ALA 116 HA ALA 116 6.451 25.910 5.143 859 HB1 ALA 116 1HB ALA 116 5.436 24.452 6.836 860 HB2 ALA 116 2HB ALA 116 6.747 24.821 7.980 861 HB3 ALA 116 3HB ALA 116 7.090 23.906 6.492 862 H ILE 117 H ILE 117 4.396 26.722 5.615 863 HA ILE 117 HA ILE 117 4.422 29.250 7.164 864 HB ILE 117 HB ILE 117 2.301 27.992 5.372 865 HG12 ILE 117 1HG1 ILE 117 3.835 30.367 4.446 866 HG13 ILE 117 2HG1 ILE 117 4.719 28.845 4.469 867 HG21 ILE 117 1HG2 ILE 117 1.384 30.330 5.221 868 HG22 ILE 117 2HG2 ILE 117 2.567 30.845 6.445 869 HG23 ILE 117 3HG2 ILE 117 1.296 29.670 6.861 870 HD11 ILE 117 1HD1 ILE 117 3.727 29.143 2.305 871 HD12 ILE 117 2HD1 ILE 117 2.116 29.372 3.026 872 HD13 ILE 117 3HD1 ILE 117 2.926 27.788 3.129 873 H VAL 118 H VAL 118 3.124 29.550 9.063 874 HA VAL 118 HA VAL 118 2.189 27.246 10.501 875 HB VAL 118 HB VAL 118 1.414 30.197 10.793 876 HG11 VAL 118 1HG1 VAL 118 0.723 29.551 13.102 877 HG12 VAL 118 2HG1 VAL 118 0.987 27.843 12.684 878 HG13 VAL 118 3HG1 VAL 118 -0.278 28.783 11.854 879 HG21 VAL 118 1HG2 VAL 118 3.038 30.158 12.692 880 HG22 VAL 118 2HG2 VAL 118 3.823 29.833 11.136 881 HG23 VAL 118 3HG2 VAL 118 3.486 28.492 12.254 882 H LEU 119 H LEU 119 0.401 26.070 10.198 883 HA LEU 119 HA LEU 119 -1.318 26.621 7.977 884 HB2 LEU 119 1HB LEU 119 -0.640 24.393 9.022 885 HB3 LEU 119 2HB LEU 119 -1.871 24.683 10.244 886 HG LEU 119 HG LEU 119 -2.661 24.826 7.341 887 HD11 LEU 119 1HD1 LEU 119 -2.942 22.409 7.231 888 HD12 LEU 119 2HD1 LEU 119 -2.241 22.225 8.857 889 HD13 LEU 119 3HD1 LEU 119 -1.242 22.813 7.518 890 HD21 LEU 119 1HD2 LEU 119 -4.730 23.707 8.278 891 HD22 LEU 119 2HD2 LEU 119 -4.401 25.305 8.967 892 HD23 LEU 119 3HD2 LEU 119 -4.008 23.843 9.895 893 H GLN 120 H GLN 120 -3.165 27.695 7.806 894 HA GLN 120 HA GLN 120 -4.689 28.480 10.259 895 HB2 GLN 120 1HB GLN 120 -3.910 30.209 7.892 896 HB3 GLN 120 2HB GLN 120 -5.092 30.673 9.121 897 HG2 GLN 120 1HG GLN 120 -3.488 30.996 10.747 898 HG3 GLN 120 2HG GLN 120 -2.338 29.912 9.966 899 HE21 GLN 120 1HE2 GLN 120 -0.914 32.354 7.893 900 HE22 GLN 120 2HE2 GLN 120 -1.064 30.644 8.249 901 H LEU 121 H LEU 121 -6.948 28.799 9.795 902 HA LEU 121 HA LEU 121 -7.807 27.515 7.229 903 HB2 LEU 121 1HB LEU 121 -8.939 27.546 10.018 904 HB3 LEU 121 2HB LEU 121 -10.038 27.438 8.660 905 HG LEU 121 HG LEU 121 -7.867 25.429 9.308 906 HD11 LEU 121 1HD1 LEU 121 -9.850 24.006 9.858 907 HD12 LEU 121 2HD1 LEU 121 -10.900 25.411 9.586 908 HD13 LEU 121 3HD1 LEU 121 -9.713 25.431 10.908 909 HD21 LEU 121 1HD2 LEU 121 -9.047 24.007 7.604 910 HD22 LEU 121 2HD2 LEU 121 -8.281 25.432 6.890 911 HD23 LEU 121 3HD2 LEU 121 -10.036 25.415 7.151 912 HA PRO 122 HA PRO 122 -9.556 31.416 6.259 913 HB2 PRO 122 1HB PRO 122 -11.498 30.772 4.467 914 HB3 PRO 122 2HB PRO 122 -9.745 30.582 4.086 915 HG2 PRO 122 1HG PRO 122 -11.715 28.532 5.055 916 HG3 PRO 122 2HG PRO 122 -10.596 28.447 3.659 917 HD2 PRO 122 1HD PRO 122 -9.993 27.342 6.042 918 HD3 PRO 122 2HD PRO 122 -8.733 28.121 5.024 919 H GLN 123 H GLN 123 -11.578 32.680 6.283 920 HA GLN 123 HA GLN 123 -12.992 32.406 8.692 921 HB2 GLN 123 1HB GLN 123 -12.789 34.483 7.319 922 HB3 GLN 123 2HB GLN 123 -13.878 33.778 6.119 923 HG2 GLN 123 1HG GLN 123 -15.692 33.718 7.780 924 HG3 GLN 123 2HG GLN 123 -14.606 34.401 9.002 925 HE21 GLN 123 1HE2 GLN 123 -16.642 36.828 6.593 926 HE22 GLN 123 2HE2 GLN 123 -16.987 35.131 6.819 927 H GLY 124 H GLY 124 -14.747 31.306 9.330 928 HA2 GLY 124 1HA GLY 124 -16.855 30.265 9.009 929 HA3 GLY 124 2HA GLY 124 -16.495 30.057 7.290 930 H THR 125 H THR 125 -13.663 29.030 8.196 931 HA THR 125 HA THR 125 -14.676 26.277 8.776 932 HB THR 125 HB THR 125 -11.874 26.847 7.814 933 HG1 THR 125 HG1 THR 125 -13.241 27.932 6.370 934 HG21 THR 125 1HG2 THR 125 -12.190 24.637 6.753 935 HG22 THR 125 2HG2 THR 125 -13.868 24.583 7.329 936 HG23 THR 125 3HG2 THR 125 -12.528 24.529 8.491 937 H THR 126 H THR 126 -14.275 25.352 10.651 938 HA THR 126 HA THR 126 -12.148 26.505 12.396 939 HB THR 126 HB THR 126 -13.681 25.640 14.286 940 HG1 THR 126 HG1 THR 126 -15.879 25.528 13.681 941 HG21 THR 126 1HG2 THR 126 -14.984 27.701 14.317 942 HG22 THR 126 2HG2 THR 126 -14.667 27.958 12.584 943 HG23 THR 126 3HG2 THR 126 -13.328 28.035 13.757 944 H LEU 127 H LEU 127 -10.999 25.065 13.661 945 HA LEU 127 HA LEU 127 -10.645 22.441 12.490 946 HB2 LEU 127 1HB LEU 127 -9.610 23.604 15.081 947 HB3 LEU 127 2HB LEU 127 -9.061 22.105 14.377 948 HG LEU 127 HG LEU 127 -8.710 24.809 13.050 949 HD11 LEU 127 1HD1 LEU 127 -6.374 24.675 13.773 950 HD12 LEU 127 2HD1 LEU 127 -6.709 23.155 14.635 951 HD13 LEU 127 3HD1 LEU 127 -7.460 24.671 15.180 952 HD21 LEU 127 1HD2 LEU 127 -7.090 23.607 11.642 953 HD22 LEU 127 2HD2 LEU 127 -8.699 22.886 11.502 954 HD23 LEU 127 3HD2 LEU 127 -7.459 22.088 12.492 955 HA PRO 128 HA PRO 128 -13.568 20.415 15.115 956 HB2 PRO 128 1HB PRO 128 -12.810 17.812 14.935 957 HB3 PRO 128 2HB PRO 128 -13.455 18.713 13.528 958 HG2 PRO 128 1HG PRO 128 -10.654 18.066 14.242 959 HG3 PRO 128 2HG PRO 128 -11.475 17.980 12.664 960 HD2 PRO 128 1HD PRO 128 -9.842 20.071 13.498 961 HD3 PRO 128 2HD PRO 128 -11.115 20.237 12.252 962 H LYS 129 H LYS 129 -13.530 18.619 17.001 963 HA LYS 129 HA LYS 129 -12.276 19.925 19.154 964 HB2 LYS 129 1HB LYS 129 -14.267 18.411 19.274 965 HB3 LYS 129 2HB LYS 129 -13.199 17.021 19.052 966 HG2 LYS 129 1HG LYS 129 -12.593 18.926 21.300 967 HG3 LYS 129 2HG LYS 129 -13.995 17.862 21.478 968 HD2 LYS 129 1HD LYS 129 -12.714 15.941 21.625 969 HD3 LYS 129 2HD LYS 129 -11.428 16.583 20.594 970 HE2 LYS 129 1HE LYS 129 -10.809 18.167 22.459 971 HE3 LYS 129 2HE LYS 129 -11.963 17.306 23.497 972 HZ1 LYS 129 1HZ LYS 129 -9.718 16.462 23.775 973 HZ2 LYS 129 2HZ LYS 129 -9.584 16.112 22.168 974 HZ3 LYS 129 3HZ LYS 129 -10.660 15.284 23.110 975 H GLY 130 H GLY 130 -10.314 19.971 19.950 976 HA2 GLY 130 1HA GLY 130 -8.420 18.974 20.897 977 HA3 GLY 130 2HA GLY 130 -8.735 17.505 19.978 978 H PHE 131 H PHE 131 -8.858 19.983 17.751 979 HA PHE 131 HA PHE 131 -6.097 19.396 16.963 980 HB2 PHE 131 1HB PHE 131 -8.634 20.057 15.587 981 HB3 PHE 131 2HB PHE 131 -7.170 20.768 14.906 982 HD1 PHE 131 HD1 PHE 131 -9.033 17.662 15.432 983 HD2 PHE 131 HD2 PHE 131 -5.345 19.379 14.099 984 HE1 PHE 131 HE1 PHE 131 -8.495 15.552 14.224 985 HE2 PHE 131 HE2 PHE 131 -4.776 17.269 12.903 986 HZ PHE 131 HZ PHE 131 -6.365 15.358 12.966 987 H TYR 132 H TYR 132 -4.613 20.820 16.770 988 HA TYR 132 HA TYR 132 -5.228 23.703 16.677 989 HB2 TYR 132 1HB TYR 132 -3.619 24.287 18.401 990 HB3 TYR 132 2HB TYR 132 -4.896 23.274 19.074 991 HD1 TYR 132 HD1 TYR 132 -1.310 23.623 18.496 992 HD2 TYR 132 HD2 TYR 132 -4.390 20.809 19.584 993 HE1 TYR 132 HE1 TYR 132 0.405 22.109 19.488 994 HE2 TYR 132 HE2 TYR 132 -2.665 19.315 20.573 995 HH TYR 132 HH TYR 132 -0.460 19.025 21.061 996 H ALA 133 H ALA 133 -3.230 24.931 16.009 997 HA ALA 133 HA ALA 133 -1.808 23.259 14.019 998 HB1 ALA 133 1HB ALA 133 -3.121 25.165 13.161 999 HB2 ALA 133 2HB ALA 133 -1.386 25.387 12.850 1000 HB3 ALA 133 3HB ALA 133 -2.171 26.277 14.171 1001 H GLU 134 H GLU 134 0.336 23.193 13.745 1002 HA GLU 134 HA GLU 134 1.994 23.700 16.074 1003 HB2 GLU 134 1HB GLU 134 2.469 21.831 14.617 1004 HB3 GLU 134 2HB GLU 134 2.524 22.878 13.209 1005 HG2 GLU 134 1HG GLU 134 4.597 23.896 13.968 1006 HG3 GLU 134 2HG GLU 134 4.534 22.949 15.468 1007 H GLY 135 H GLY 135 3.109 25.498 16.571 1008 HA2 GLY 135 1HA GLY 135 4.369 27.443 16.089 1009 HA3 GLY 135 2HA GLY 135 3.669 27.502 14.466 1010 H SER 136 H SER 136 0.906 27.016 15.809 1011 HA SER 136 HA SER 136 0.414 29.894 16.301 1012 HB2 SER 136 1HB SER 136 -1.043 28.534 14.779 1013 HB3 SER 136 2HB SER 136 -1.564 27.596 16.192 1014 HG SER 136 HG SER 136 -2.981 29.344 15.697 1015 H ARG 137 H ARG 137 1.362 30.182 18.266 1016 HA ARG 137 HA ARG 137 1.575 30.274 20.559 1017 HB2 ARG 137 1HB ARG 137 -0.818 30.846 20.405 1018 HB3 ARG 137 2HB ARG 137 -1.209 29.150 20.738 1019 HG2 ARG 137 1HG ARG 137 -0.196 29.248 22.902 1020 HG3 ARG 137 2HG ARG 137 0.594 30.798 22.533 1021 HD2 ARG 137 1HD ARG 137 -1.285 31.220 23.927 1022 HD3 ARG 137 2HD ARG 137 -1.606 31.830 22.288 1023 HE ARG 137 HE ARG 137 -2.589 29.183 22.441 1024 HH11 ARG 137 1HH1 ARG 137 -3.373 32.316 23.864 1025 HH12 ARG 137 2HH1 ARG 137 -5.061 31.920 24.044 1026 HH21 ARG 137 1HH2 ARG 137 -4.748 28.745 22.699 1027 HH22 ARG 137 2HH2 ARG 137 -5.822 29.922 23.405 1028 H GLY 138 H GLY 138 3.225 28.835 20.822 1029 HA2 GLY 138 1HA GLY 138 2.619 25.968 21.102 1030 HA3 GLY 138 2HA GLY 138 4.216 26.739 21.140 1031 H GLY 139 H GLY 139 4.928 25.748 23.008 1032 HA2 GLY 139 1HA GLY 139 3.350 25.972 25.472 1033 HA3 GLY 139 2HA GLY 139 4.943 25.214 25.284 1034 H SER 140 H SER 140 4.545 28.336 23.893 1035 HA SER 140 HA SER 140 5.337 29.947 26.171 1036 HB2 SER 140 1HB SER 140 7.551 28.965 25.575 1037 HB3 SER 140 2HB SER 140 7.287 29.427 23.876 1038 HG SER 140 HG SER 140 6.900 31.629 24.985 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 1.100 -2.207 7.023 2 H2 GLY 1 2H GLY 1 2.006 -3.162 6.026 3 H3 GLY 1 3H GLY 1 1.063 -1.970 5.389 4 HA2 GLY 1 1HA GLY 1 2.386 -0.271 6.436 5 HA3 GLY 1 2HA GLY 1 3.396 -1.552 7.136 6 H ALA 2 H ALA 2 4.710 0.334 5.630 7 HA ALA 2 HA ALA 2 5.653 -1.274 3.367 8 HB1 ALA 2 1HB ALA 2 3.771 0.024 2.340 9 HB2 ALA 2 2HB ALA 2 5.345 0.568 1.724 10 HB3 ALA 2 3HB ALA 2 4.491 1.535 2.950 11 H MET 3 H MET 3 7.545 0.084 2.346 12 HA MET 3 HA MET 3 8.834 1.888 4.311 13 HB2 MET 3 1HB MET 3 9.732 -0.426 4.691 14 HB3 MET 3 2HB MET 3 10.139 -0.527 2.973 15 HG2 MET 3 1HG MET 3 11.724 1.342 3.229 16 HG3 MET 3 2HG MET 3 11.288 1.478 4.942 17 HE1 MET 3 1HE MET 3 13.814 -1.915 3.010 18 HE2 MET 3 2HE MET 3 13.364 -0.384 2.223 19 HE3 MET 3 3HE MET 3 12.135 -1.643 2.492 20 H GLY 4 H GLY 4 9.698 3.592 3.172 21 HA2 GLY 4 1HA GLY 4 10.864 3.877 0.795 22 HA3 GLY 4 2HA GLY 4 9.161 3.669 0.297 23 H LEU 5 H LEU 5 11.317 5.980 0.784 24 HA LEU 5 HA LEU 5 9.347 7.900 1.922 25 HB2 LEU 5 1HB LEU 5 12.368 7.794 2.229 26 HB3 LEU 5 2HB LEU 5 11.369 9.143 2.721 27 HG LEU 5 HG LEU 5 11.185 6.353 3.898 28 HD11 LEU 5 1HD1 LEU 5 12.318 7.335 5.852 29 HD12 LEU 5 2HD1 LEU 5 12.475 8.886 4.992 30 HD13 LEU 5 3HD1 LEU 5 13.334 7.444 4.400 31 HD21 LEU 5 1HD2 LEU 5 9.875 7.490 5.693 32 HD22 LEU 5 2HD2 LEU 5 9.063 7.548 4.118 33 HD23 LEU 5 3HD2 LEU 5 9.904 8.991 4.737 34 HA PRO 6 HA PRO 6 10.213 9.861 -1.951 35 HB2 PRO 6 1HB PRO 6 9.312 12.387 -1.564 36 HB3 PRO 6 2HB PRO 6 8.181 10.996 -1.603 37 HG2 PRO 6 1HG PRO 6 9.396 12.381 0.781 38 HG3 PRO 6 2HG PRO 6 7.673 12.003 0.458 39 HD2 PRO 6 1HD PRO 6 9.243 10.410 2.008 40 HD3 PRO 6 2HD PRO 6 7.960 9.732 0.944 41 H ASN 7 H ASN 7 11.610 11.513 -2.925 42 HA ASN 7 HA ASN 7 14.080 11.851 -1.519 43 HB2 ASN 7 1HB ASN 7 13.756 11.721 -4.022 44 HB3 ASN 7 2HB ASN 7 13.126 13.376 -3.970 45 HD21 ASN 7 1HD2 ASN 7 16.325 14.640 -4.365 46 HD22 ASN 7 2HD2 ASN 7 14.633 14.673 -4.793 47 H ASN 8 H ASN 8 11.270 13.963 -1.927 48 HA ASN 8 HA ASN 8 12.180 15.657 0.255 49 HB2 ASN 8 1HB ASN 8 12.503 16.576 -2.556 50 HB3 ASN 8 2HB ASN 8 11.655 17.718 -1.504 51 HD21 ASN 8 1HD2 ASN 8 15.581 17.593 -1.331 52 HD22 ASN 8 2HD2 ASN 8 14.620 16.934 -2.627 53 H THR 9 H THR 9 10.099 16.975 -2.224 54 HA THR 9 HA THR 9 7.946 17.691 -2.048 55 HB THR 9 HB THR 9 6.267 15.886 -1.963 56 HG1 THR 9 HG1 THR 9 7.775 14.524 -0.639 57 HG21 THR 9 1HG2 THR 9 6.951 14.876 -4.097 58 HG22 THR 9 2HG2 THR 9 8.624 15.405 -3.831 59 HG23 THR 9 3HG2 THR 9 7.336 16.610 -4.086 60 H ALA 10 H ALA 10 8.328 18.866 -0.096 61 HA ALA 10 HA ALA 10 7.206 17.677 2.355 62 HB1 ALA 10 1HB ALA 10 9.419 18.779 2.464 63 HB2 ALA 10 2HB ALA 10 8.216 19.607 3.475 64 HB3 ALA 10 3HB ALA 10 8.684 20.300 1.901 65 H SER 11 H SER 11 5.522 18.547 3.435 66 HA SER 11 HA SER 11 3.427 19.829 1.982 67 HB2 SER 11 1HB SER 11 2.414 20.134 4.259 68 HB3 SER 11 2HB SER 11 2.960 18.477 3.954 69 HG SER 11 HG SER 11 3.955 20.387 5.718 70 H TRP 12 H TRP 12 2.792 21.973 1.887 71 HA TRP 12 HA TRP 12 4.791 23.972 2.325 72 HB2 TRP 12 1HB TRP 12 2.092 23.908 1.205 73 HB3 TRP 12 2HB TRP 12 2.467 25.404 2.083 74 HD1 TRP 12 HD1 TRP 12 3.039 23.800 -1.208 75 HE1 TRP 12 HE1 TRP 12 4.739 25.016 -2.630 76 HE3 TRP 12 HE3 TRP 12 4.928 26.840 2.439 77 HZ2 TRP 12 HZ2 TRP 12 6.706 27.044 -2.249 78 HZ3 TRP 12 HZ3 TRP 12 6.792 28.410 1.837 79 HH2 TRP 12 HH2 TRP 12 7.656 28.504 -0.497 80 H PHE 13 H PHE 13 2.495 22.568 4.428 81 HA PHE 13 HA PHE 13 2.723 24.913 6.245 82 HB2 PHE 13 1HB PHE 13 0.485 22.886 5.963 83 HB3 PHE 13 2HB PHE 13 0.526 24.230 7.108 84 HD1 PHE 13 HD1 PHE 13 0.418 26.567 6.315 85 HD2 PHE 13 HD2 PHE 13 -0.167 23.222 3.679 86 HE1 PHE 13 HE1 PHE 13 -0.658 28.061 4.667 87 HE2 PHE 13 HE2 PHE 13 -1.273 24.709 2.025 88 HZ PHE 13 HZ PHE 13 -1.523 27.132 2.530 89 H THR 14 H THR 14 2.470 24.554 8.450 90 HA THR 14 HA THR 14 4.063 22.370 9.482 91 HB THR 14 HB THR 14 3.485 23.359 11.685 92 HG1 THR 14 HG1 THR 14 2.039 25.049 11.809 93 HG21 THR 14 1HG2 THR 14 4.442 25.592 11.372 94 HG22 THR 14 2HG2 THR 14 4.161 25.488 9.624 95 HG23 THR 14 3HG2 THR 14 5.321 24.389 10.404 96 H ALA 15 H ALA 15 3.122 21.198 11.500 97 HA ALA 15 HA ALA 15 0.981 19.586 10.450 98 HB1 ALA 15 1HB ALA 15 1.964 19.235 13.259 99 HB2 ALA 15 2HB ALA 15 3.135 19.007 11.940 100 HB3 ALA 15 3HB ALA 15 1.658 18.027 11.982 101 H LEU 16 H LEU 16 -1.078 19.333 11.104 102 HA LEU 16 HA LEU 16 -2.154 21.140 13.228 103 HB2 LEU 16 1HB LEU 16 -3.335 19.212 11.203 104 HB3 LEU 16 2HB LEU 16 -4.228 19.622 12.652 105 HG LEU 16 HG LEU 16 -3.387 21.553 10.517 106 HD11 LEU 16 1HD1 LEU 16 -5.799 21.671 10.055 107 HD12 LEU 16 2HD1 LEU 16 -6.123 20.516 11.370 108 HD13 LEU 16 3HD1 LEU 16 -5.235 19.993 9.921 109 HD21 LEU 16 1HD2 LEU 16 -4.855 23.149 11.788 110 HD22 LEU 16 2HD2 LEU 16 -3.346 22.726 12.600 111 HD23 LEU 16 3HD2 LEU 16 -4.873 21.978 13.126 112 H THR 17 H THR 17 -2.489 20.300 15.278 113 HA THR 17 HA THR 17 -1.711 17.413 15.605 114 HB THR 17 HB THR 17 -1.244 19.735 17.521 115 HG1 THR 17 HG1 THR 17 0.174 19.908 15.821 116 HG21 THR 17 1HG2 THR 17 0.255 18.071 18.639 117 HG22 THR 17 2HG2 THR 17 -0.406 16.808 17.573 118 HG23 THR 17 3HG2 THR 17 -1.466 17.649 18.736 119 H GLN 18 H GLN 18 -2.948 16.126 16.859 120 HA GLN 18 HA GLN 18 -5.539 17.292 17.756 121 HB2 GLN 18 1HB GLN 18 -5.651 15.547 16.058 122 HB3 GLN 18 2HB GLN 18 -4.644 14.490 17.011 123 HG2 GLN 18 1HG GLN 18 -6.941 13.727 17.093 124 HG3 GLN 18 2HG GLN 18 -6.437 14.248 18.695 125 HE21 GLN 18 1HE2 GLN 18 -9.805 15.675 17.244 126 HE22 GLN 18 2HE2 GLN 18 -8.989 14.197 16.733 127 H HIS 19 H HIS 19 -6.264 17.158 19.762 128 HA HIS 19 HA HIS 19 -4.999 15.190 21.634 129 HB2 HIS 19 1HB HIS 19 -4.271 17.454 22.315 130 HB3 HIS 19 2HB HIS 19 -5.945 18.022 22.252 131 HD1 HIS 19 HD1 HIS 19 -3.584 16.002 24.404 132 HD2 HIS 19 HD2 HIS 19 -7.558 17.250 24.390 133 HE1 HIS 19 HE1 HIS 19 -4.509 15.534 26.712 134 H GLY 20 H GLY 20 -6.607 13.655 21.385 135 HA2 GLY 20 1HA GLY 20 -9.067 13.774 22.597 136 HA3 GLY 20 2HA GLY 20 -9.370 14.462 20.983 137 H LYS 21 H LYS 21 -10.766 12.519 20.716 138 HA LYS 21 HA LYS 21 -9.173 10.050 20.117 139 HB2 LYS 21 1HB LYS 21 -12.037 10.507 20.964 140 HB3 LYS 21 2HB LYS 21 -11.552 9.038 20.117 141 HG2 LYS 21 1HG LYS 21 -9.839 8.621 21.864 142 HG3 LYS 21 2HG LYS 21 -10.454 10.026 22.760 143 HD2 LYS 21 1HD LYS 21 -12.640 8.965 23.004 144 HD3 LYS 21 2HD LYS 21 -12.153 7.635 21.936 145 HE2 LYS 21 1HE LYS 21 -12.048 6.868 24.234 146 HE3 LYS 21 2HE LYS 21 -10.407 6.963 23.568 147 HZ1 LYS 21 1HZ LYS 21 -10.513 7.871 25.798 148 HZ2 LYS 21 2HZ LYS 21 -11.650 8.979 25.350 149 HZ3 LYS 21 3HZ LYS 21 -10.123 9.066 24.731 150 H GLU 22 H GLU 22 -10.977 12.560 18.660 151 HA GLU 22 HA GLU 22 -11.881 11.060 16.346 152 HB2 GLU 22 1HB GLU 22 -11.417 14.028 16.700 153 HB3 GLU 22 2HB GLU 22 -12.291 13.298 15.367 154 HG2 GLU 22 1HG GLU 22 -14.155 12.799 16.669 155 HG3 GLU 22 2HG GLU 22 -13.234 12.765 18.178 156 H ASP 23 H ASP 23 -10.974 11.241 14.214 157 HA ASP 23 HA ASP 23 -8.051 11.116 14.264 158 HB2 ASP 23 1HB ASP 23 -10.207 10.677 12.178 159 HB3 ASP 23 2HB ASP 23 -8.509 10.794 11.703 160 H LEU 24 H LEU 24 -10.339 12.829 12.191 161 HA LEU 24 HA LEU 24 -9.747 15.496 12.486 162 HB2 LEU 24 1HB LEU 24 -7.408 15.126 11.694 163 HB3 LEU 24 2HB LEU 24 -8.011 14.261 10.291 164 HG LEU 24 HG LEU 24 -9.004 16.330 9.413 165 HD11 LEU 24 1HD1 LEU 24 -9.491 17.532 11.491 166 HD12 LEU 24 2HD1 LEU 24 -8.493 18.517 10.421 167 HD13 LEU 24 3HD1 LEU 24 -7.760 17.707 11.821 168 HD21 LEU 24 1HD2 LEU 24 -6.940 17.503 8.873 169 HD22 LEU 24 2HD2 LEU 24 -6.692 15.745 8.842 170 HD23 LEU 24 3HD2 LEU 24 -6.113 16.700 10.227 171 H LYS 25 H LYS 25 -11.378 16.463 11.199 172 HA LYS 25 HA LYS 25 -12.153 15.142 8.713 173 HB2 LYS 25 1HB LYS 25 -13.390 14.017 10.724 174 HB3 LYS 25 2HB LYS 25 -14.334 15.509 10.791 175 HG2 LYS 25 1HG LYS 25 -14.056 14.194 8.123 176 HG3 LYS 25 2HG LYS 25 -15.015 13.331 9.335 177 HD2 LYS 25 1HD LYS 25 -16.532 15.187 9.583 178 HD3 LYS 25 2HD LYS 25 -15.490 16.241 8.609 179 HE2 LYS 25 1HE LYS 25 -17.348 15.488 7.242 180 HE3 LYS 25 2HE LYS 25 -15.835 14.775 6.643 181 HZ1 LYS 25 1HZ LYS 25 -17.606 13.136 6.745 182 HZ2 LYS 25 2HZ LYS 25 -17.819 13.390 8.362 183 HZ3 LYS 25 3HZ LYS 25 -16.412 12.730 7.808 184 H PHE 26 H PHE 26 -12.898 16.623 7.300 185 HA PHE 26 HA PHE 26 -13.721 19.283 8.390 186 HB2 PHE 26 1HB PHE 26 -11.844 18.583 6.129 187 HB3 PHE 26 2HB PHE 26 -12.736 20.104 6.117 188 HD1 PHE 26 HD1 PHE 26 -12.709 21.034 8.873 189 HD2 PHE 26 HD2 PHE 26 -9.563 19.109 6.627 190 HE1 PHE 26 HE1 PHE 26 -11.019 22.070 10.351 191 HE2 PHE 26 HE2 PHE 26 -7.885 20.120 8.147 192 HZ PHE 26 HZ PHE 26 -8.595 21.604 9.996 193 HA PRO 27 HA PRO 27 -17.395 18.702 6.082 194 HB2 PRO 27 1HB PRO 27 -18.026 21.229 5.204 195 HB3 PRO 27 2HB PRO 27 -18.065 20.767 6.935 196 HG2 PRO 27 1HG PRO 27 -15.889 22.090 5.394 197 HG3 PRO 27 2HG PRO 27 -16.664 22.609 6.918 198 HD2 PRO 27 1HD PRO 27 -14.340 21.307 6.909 199 HD3 PRO 27 2HD PRO 27 -15.590 20.937 8.146 200 H ARG 28 H ARG 28 -18.562 19.150 3.923 201 HA ARG 28 HA ARG 28 -16.735 18.430 1.753 202 HB2 ARG 28 1HB ARG 28 -18.942 17.397 1.884 203 HB3 ARG 28 2HB ARG 28 -19.717 18.979 1.863 204 HG2 ARG 28 1HG ARG 28 -20.030 18.054 -0.300 205 HG3 ARG 28 2HG ARG 28 -18.813 19.321 -0.472 206 HD2 ARG 28 1HD ARG 28 -17.028 17.581 -0.405 207 HD3 ARG 28 2HD ARG 28 -18.276 16.327 -0.309 208 HE ARG 28 HE ARG 28 -17.533 17.955 -2.651 209 HH11 ARG 28 1HH1 ARG 28 -19.904 15.683 -1.336 210 HH12 ARG 28 2HH1 ARG 28 -20.505 15.263 -2.917 211 HH21 ARG 28 1HH2 ARG 28 -18.369 17.378 -4.621 212 HH22 ARG 28 2HH2 ARG 28 -19.651 16.205 -4.735 213 H GLY 29 H GLY 29 -15.837 19.762 0.354 214 HA2 GLY 29 1HA GLY 29 -15.578 21.577 -1.069 215 HA3 GLY 29 2HA GLY 29 -17.177 22.145 -0.582 216 H GLN 30 H GLN 30 -15.099 21.617 2.091 217 HA GLN 30 HA GLN 30 -13.908 24.301 2.085 218 HB2 GLN 30 1HB GLN 30 -16.207 24.780 2.741 219 HB3 GLN 30 2HB GLN 30 -16.218 23.425 3.852 220 HG2 GLN 30 1HG GLN 30 -14.403 24.676 5.136 221 HG3 GLN 30 2HG GLN 30 -14.844 26.077 4.150 222 HE21 GLN 30 1HE2 GLN 30 -16.786 26.052 7.342 223 HE22 GLN 30 2HE2 GLN 30 -15.078 25.994 6.923 224 H GLY 31 H GLY 31 -12.120 24.273 3.642 225 HA2 GLY 31 1HA GLY 31 -11.641 23.046 5.892 226 HA3 GLY 31 2HA GLY 31 -11.743 21.593 4.902 227 H VAL 32 H VAL 32 -10.488 23.440 2.681 228 HA VAL 32 HA VAL 32 -7.791 22.588 3.235 229 HB VAL 32 HB VAL 32 -7.202 23.839 1.186 230 HG11 VAL 32 1HG1 VAL 32 -8.474 22.471 -0.388 231 HG12 VAL 32 2HG1 VAL 32 -9.629 22.087 0.898 232 HG13 VAL 32 3HG1 VAL 32 -7.942 21.545 1.017 233 HG21 VAL 32 1HG2 VAL 32 -8.895 24.817 -0.232 234 HG22 VAL 32 2HG2 VAL 32 -8.756 25.686 1.303 235 HG23 VAL 32 3HG2 VAL 32 -10.120 24.571 1.034 236 HA PRO 33 HA PRO 33 -6.582 26.136 5.519 237 HB2 PRO 33 1HB PRO 33 -3.886 25.948 5.312 238 HB3 PRO 33 2HB PRO 33 -4.868 24.729 6.179 239 HG2 PRO 33 1HG PRO 33 -3.815 24.658 3.405 240 HG3 PRO 33 2HG PRO 33 -3.703 23.421 4.691 241 HD2 PRO 33 1HD PRO 33 -5.562 23.298 2.757 242 HD3 PRO 33 2HD PRO 33 -5.894 22.731 4.423 243 H ILE 34 H ILE 34 -5.352 28.138 5.416 244 HA ILE 34 HA ILE 34 -5.817 29.525 2.906 245 HB ILE 34 HB ILE 34 -4.320 30.363 5.441 246 HG12 ILE 34 1HG1 ILE 34 -7.092 31.123 4.485 247 HG13 ILE 34 2HG1 ILE 34 -6.763 29.864 5.677 248 HG21 ILE 34 1HG2 ILE 34 -4.547 32.706 4.592 249 HG22 ILE 34 2HG2 ILE 34 -5.303 32.098 3.102 250 HG23 ILE 34 3HG2 ILE 34 -3.599 31.738 3.470 251 HD11 ILE 34 1HD1 ILE 34 -7.366 31.877 6.860 252 HD12 ILE 34 2HD1 ILE 34 -6.160 32.820 5.978 253 HD13 ILE 34 3HD1 ILE 34 -5.640 31.565 7.128 254 H ASN 35 H ASN 35 -4.481 29.657 1.228 255 HA ASN 35 HA ASN 35 -1.553 29.547 1.808 256 HB2 ASN 35 1HB ASN 35 -2.510 27.477 0.635 257 HB3 ASN 35 2HB ASN 35 -2.707 28.522 -0.774 258 HD21 ASN 35 1HD2 ASN 35 0.768 26.833 -0.233 259 HD22 ASN 35 2HD2 ASN 35 -0.787 26.257 0.333 260 H THR 36 H THR 36 -0.503 31.311 1.274 261 HA THR 36 HA THR 36 -1.885 33.403 -0.268 262 HB THR 36 HB THR 36 0.006 34.795 0.524 263 HG1 THR 36 HG1 THR 36 1.621 33.836 1.748 264 HG21 THR 36 1HG2 THR 36 -0.961 32.992 2.764 265 HG22 THR 36 2HG2 THR 36 -1.966 34.266 2.032 266 HG23 THR 36 3HG2 THR 36 -0.466 34.694 2.884 267 H ASN 37 H ASN 37 0.484 31.006 -0.806 268 HA ASN 37 HA ASN 37 1.610 32.494 -3.140 269 HB2 ASN 37 1HB ASN 37 3.570 31.019 -2.895 270 HB3 ASN 37 2HB ASN 37 3.284 31.992 -1.455 271 HD21 ASN 37 1HD2 ASN 37 2.917 29.295 0.678 272 HD22 ASN 37 2HD2 ASN 37 2.944 31.027 0.454 273 H SER 38 H SER 38 -0.909 30.842 -3.020 274 HA SER 38 HA SER 38 -0.201 29.092 -5.327 275 HB2 SER 38 1HB SER 38 -1.983 28.323 -2.982 276 HB3 SER 38 2HB SER 38 -1.782 27.381 -4.469 277 HG SER 38 HG SER 38 0.534 28.114 -3.089 278 H SER 39 H SER 39 -1.968 28.790 -6.793 279 HA SER 39 HA SER 39 -3.546 31.169 -7.137 280 HB2 SER 39 1HB SER 39 -3.996 28.482 -8.458 281 HB3 SER 39 2HB SER 39 -4.267 30.097 -9.145 282 HG SER 39 HG SER 39 -1.969 28.578 -8.935 283 HA PRO 40 HA PRO 40 -7.097 30.023 -4.892 284 HB2 PRO 40 1HB PRO 40 -9.308 30.589 -6.416 285 HB3 PRO 40 2HB PRO 40 -8.286 31.857 -5.665 286 HG2 PRO 40 1HG PRO 40 -8.174 30.775 -8.476 287 HG3 PRO 40 2HG PRO 40 -8.261 32.481 -7.928 288 HD2 PRO 40 1HD PRO 40 -5.906 31.363 -8.584 289 HD3 PRO 40 2HD PRO 40 -6.028 32.468 -7.171 290 H ASP 41 H ASP 41 -6.983 28.697 -8.224 291 HA ASP 41 HA ASP 41 -8.815 26.567 -7.580 292 HB2 ASP 41 1HB ASP 41 -8.338 25.662 -9.692 293 HB3 ASP 41 2HB ASP 41 -8.361 27.418 -9.908 294 H ASP 42 H ASP 42 -5.461 27.149 -7.073 295 HA ASP 42 HA ASP 42 -4.507 24.427 -7.030 296 HB2 ASP 42 1HB ASP 42 -3.443 27.098 -6.204 297 HB3 ASP 42 2HB ASP 42 -2.640 25.653 -5.636 298 H GLN 43 H GLN 43 -6.372 26.212 -4.796 299 HA GLN 43 HA GLN 43 -5.240 25.350 -2.337 300 HB2 GLN 43 1HB GLN 43 -8.139 25.957 -2.945 301 HB3 GLN 43 2HB GLN 43 -7.382 25.959 -1.354 302 HG2 GLN 43 1HG GLN 43 -6.798 27.870 -3.636 303 HG3 GLN 43 2HG GLN 43 -7.696 28.241 -2.168 304 HE21 GLN 43 1HE2 GLN 43 -3.859 28.979 -2.282 305 HE22 GLN 43 2HE2 GLN 43 -4.917 28.803 -3.659 306 H ILE 44 H ILE 44 -7.273 23.529 -4.571 307 HA ILE 44 HA ILE 44 -8.420 21.685 -2.758 308 HB ILE 44 HB ILE 44 -9.032 21.881 -5.139 309 HG12 ILE 44 1HG1 ILE 44 -8.163 19.040 -4.734 310 HG13 ILE 44 2HG1 ILE 44 -9.396 19.774 -3.709 311 HG21 ILE 44 1HG2 ILE 44 -7.652 20.834 -6.890 312 HG22 ILE 44 2HG2 ILE 44 -6.379 20.539 -5.707 313 HG23 ILE 44 3HG2 ILE 44 -6.839 22.201 -6.128 314 HD11 ILE 44 1HD1 ILE 44 -10.786 20.289 -5.714 315 HD12 ILE 44 2HD1 ILE 44 -10.452 18.550 -5.582 316 HD13 ILE 44 3HD1 ILE 44 -9.558 19.537 -6.752 317 H GLY 45 H GLY 45 -7.848 19.761 -1.822 318 HA2 GLY 45 1HA GLY 45 -5.504 18.297 -2.477 319 HA3 GLY 45 2HA GLY 45 -5.098 19.446 -1.196 320 H TYR 46 H TYR 46 -4.639 17.782 0.234 321 HA TYR 46 HA TYR 46 -7.023 16.841 1.657 322 HB2 TYR 46 1HB TYR 46 -6.410 14.490 1.580 323 HB3 TYR 46 2HB TYR 46 -6.618 15.071 -0.070 324 HD1 TYR 46 HD1 TYR 46 -4.231 13.992 2.500 325 HD2 TYR 46 HD2 TYR 46 -4.696 15.223 -1.590 326 HE1 TYR 46 HE1 TYR 46 -1.906 13.209 1.968 327 HE2 TYR 46 HE2 TYR 46 -2.391 14.416 -2.111 328 HH TYR 46 HH TYR 46 -0.265 13.019 0.380 329 H TYR 47 H TYR 47 -6.257 15.735 3.750 330 HA TYR 47 HA TYR 47 -3.567 16.834 4.504 331 HB2 TYR 47 1HB TYR 47 -5.901 16.066 6.249 332 HB3 TYR 47 2HB TYR 47 -4.313 16.462 6.843 333 HD1 TYR 47 HD1 TYR 47 -3.854 18.628 7.560 334 HD2 TYR 47 HD2 TYR 47 -7.042 18.048 4.720 335 HE1 TYR 47 HE1 TYR 47 -4.531 21.009 7.798 336 HE2 TYR 47 HE2 TYR 47 -7.696 20.435 4.991 337 HH TYR 47 HH TYR 47 -7.378 22.371 6.143 338 H ARG 48 H ARG 48 -2.037 15.457 5.210 339 HA ARG 48 HA ARG 48 -2.618 12.526 4.967 340 HB2 ARG 48 1HB ARG 48 -0.730 14.046 3.704 341 HB3 ARG 48 2HB ARG 48 0.176 13.630 5.154 342 HG2 ARG 48 1HG ARG 48 -1.045 11.669 3.186 343 HG3 ARG 48 2HG ARG 48 0.657 12.097 3.296 344 HD2 ARG 48 1HD ARG 48 0.770 11.117 5.557 345 HD3 ARG 48 2HD ARG 48 -0.954 10.726 5.477 346 HE ARG 48 HE ARG 48 -0.525 8.922 4.121 347 HH11 ARG 48 1HH1 ARG 48 2.453 10.812 4.375 348 HH12 ARG 48 2HH1 ARG 48 3.409 9.576 3.603 349 HH21 ARG 48 1HH2 ARG 48 0.763 7.393 3.168 350 HH22 ARG 48 2HH2 ARG 48 2.467 7.676 2.931 351 H ARG 49 H ARG 49 -2.620 11.373 6.842 352 HA ARG 49 HA ARG 49 -2.001 12.585 9.398 353 HB2 ARG 49 1HB ARG 49 -3.632 10.695 8.808 354 HB3 ARG 49 2HB ARG 49 -2.230 9.623 8.782 355 HG2 ARG 49 1HG ARG 49 -1.801 10.093 11.147 356 HG3 ARG 49 2HG ARG 49 -3.113 11.294 11.155 357 HD2 ARG 49 1HD ARG 49 -4.614 9.380 10.316 358 HD3 ARG 49 2HD ARG 49 -3.315 8.290 10.839 359 HE ARG 49 HE ARG 49 -3.740 9.863 13.044 360 HH11 ARG 49 1HH1 ARG 49 -5.926 7.928 11.060 361 HH12 ARG 49 2HH1 ARG 49 -7.077 7.726 12.359 362 HH21 ARG 49 1HH2 ARG 49 -5.228 9.500 14.671 363 HH22 ARG 49 2HH2 ARG 49 -6.692 8.596 14.345 364 H ALA 50 H ALA 50 -0.265 12.288 10.784 365 HA ALA 50 HA ALA 50 1.954 10.518 9.965 366 HB1 ALA 50 1HB ALA 50 2.489 12.638 8.836 367 HB2 ALA 50 2HB ALA 50 3.606 12.375 10.200 368 HB3 ALA 50 3HB ALA 50 2.256 13.527 10.361 369 H THR 51 H THR 51 3.548 10.247 11.588 370 HA THR 51 HA THR 51 3.487 11.459 14.183 371 HB THR 51 HB THR 51 1.530 9.914 14.593 372 HG1 THR 51 HG1 THR 51 2.377 9.578 16.504 373 HG21 THR 51 1HG2 THR 51 1.850 7.487 14.553 374 HG22 THR 51 2HG2 THR 51 3.497 7.681 13.924 375 HG23 THR 51 3HG2 THR 51 2.097 8.154 12.927 376 H ARG 52 H ARG 52 5.213 9.960 15.471 377 HA ARG 52 HA ARG 52 7.063 8.759 13.453 378 HB2 ARG 52 1HB ARG 52 7.729 11.111 14.236 379 HB3 ARG 52 2HB ARG 52 8.000 10.398 15.830 380 HG2 ARG 52 1HG ARG 52 10.128 10.492 14.763 381 HG3 ARG 52 2HG ARG 52 9.638 8.789 14.692 382 HD2 ARG 52 1HD ARG 52 8.857 9.108 12.362 383 HD3 ARG 52 2HD ARG 52 9.310 10.815 12.429 384 HE ARG 52 HE ARG 52 11.110 8.484 12.204 385 HH11 ARG 52 1HH1 ARG 52 10.889 11.997 12.569 386 HH12 ARG 52 2HH1 ARG 52 12.543 12.238 12.078 387 HH21 ARG 52 1HH2 ARG 52 13.206 8.884 11.587 388 HH22 ARG 52 2HH2 ARG 52 13.823 10.512 11.534 389 H ARG 53 H ARG 53 7.564 6.733 13.927 390 HA ARG 53 HA ARG 53 7.485 5.804 16.763 391 HB2 ARG 53 1HB ARG 53 5.336 5.324 15.520 392 HB3 ARG 53 2HB ARG 53 6.263 4.381 14.357 393 HG2 ARG 53 1HG ARG 53 6.680 3.572 17.159 394 HG3 ARG 53 2HG ARG 53 5.006 3.441 16.607 395 HD2 ARG 53 1HD ARG 53 5.927 2.187 14.583 396 HD3 ARG 53 2HD ARG 53 7.449 2.065 15.498 397 HE ARG 53 HE ARG 53 5.246 1.296 17.154 398 HH11 ARG 53 1HH1 ARG 53 7.112 0.028 14.434 399 HH12 ARG 53 2HH1 ARG 53 6.756 -1.628 14.842 400 HH21 ARG 53 1HH2 ARG 53 4.839 -0.836 17.611 401 HH22 ARG 53 2HH2 ARG 53 5.491 -2.106 16.612 402 H ILE 54 H ILE 54 8.919 4.283 17.281 403 HA ILE 54 HA ILE 54 10.706 3.228 15.185 404 HB ILE 54 HB ILE 54 12.678 4.041 16.184 405 HG12 ILE 54 1HG1 ILE 54 12.341 3.523 18.507 406 HG13 ILE 54 2HG1 ILE 54 12.883 5.174 18.342 407 HG21 ILE 54 1HG2 ILE 54 12.564 6.480 16.321 408 HG22 ILE 54 2HG2 ILE 54 10.808 6.415 16.551 409 HG23 ILE 54 3HG2 ILE 54 11.522 5.879 15.010 410 HD11 ILE 54 1HD1 ILE 54 11.265 5.081 20.055 411 HD12 ILE 54 2HD1 ILE 54 10.109 4.248 19.000 412 HD13 ILE 54 3HD1 ILE 54 10.555 5.931 18.671 413 H ARG 55 H ARG 55 12.337 1.718 16.497 414 HA ARG 55 HA ARG 55 11.026 0.530 18.901 415 HB2 ARG 55 1HB ARG 55 10.424 -1.010 17.108 416 HB3 ARG 55 2HB ARG 55 12.067 -0.982 16.468 417 HG2 ARG 55 1HG ARG 55 11.731 -3.084 17.609 418 HG3 ARG 55 2HG ARG 55 12.887 -2.129 18.543 419 HD2 ARG 55 1HD ARG 55 11.368 -1.742 20.290 420 HD3 ARG 55 2HD ARG 55 9.960 -2.055 19.261 421 HE ARG 55 HE ARG 55 10.149 -4.331 19.640 422 HH11 ARG 55 1HH1 ARG 55 13.085 -2.816 20.925 423 HH12 ARG 55 2HH1 ARG 55 13.561 -4.272 21.766 424 HH21 ARG 55 1HH2 ARG 55 10.848 -6.132 20.730 425 HH22 ARG 55 2HH2 ARG 55 12.328 -6.095 21.648 426 H GLY 56 H GLY 56 12.484 1.276 20.356 427 HA2 GLY 56 1HA GLY 56 15.350 1.346 19.711 428 HA3 GLY 56 2HA GLY 56 14.595 1.671 21.304 429 H GLY 57 H GLY 57 16.907 -0.179 20.733 430 HA2 GLY 57 1HA GLY 57 16.020 -2.860 20.584 431 HA3 GLY 57 2HA GLY 57 17.547 -2.324 21.307 432 H ASP 58 H ASP 58 16.406 -0.700 23.361 433 HA ASP 58 HA ASP 58 15.780 -2.783 25.305 434 HB2 ASP 58 1HB ASP 58 17.358 -0.797 25.589 435 HB3 ASP 58 2HB ASP 58 15.917 0.216 25.721 436 H GLY 59 H GLY 59 13.827 -1.644 23.117 437 HA2 GLY 59 1HA GLY 59 11.539 -2.089 23.028 438 HA3 GLY 59 2HA GLY 59 11.497 -2.197 24.793 439 H LYS 60 H LYS 60 13.031 0.583 23.520 440 HA LYS 60 HA LYS 60 10.966 2.206 24.740 441 HB2 LYS 60 1HB LYS 60 13.471 3.122 23.303 442 HB3 LYS 60 2HB LYS 60 12.501 4.027 24.473 443 HG2 LYS 60 1HG LYS 60 14.406 1.718 24.946 444 HG3 LYS 60 2HG LYS 60 14.440 3.330 25.660 445 HD2 LYS 60 1HD LYS 60 12.324 2.714 26.950 446 HD3 LYS 60 2HD LYS 60 12.492 1.062 26.294 447 HE2 LYS 60 1HE LYS 60 14.972 1.395 27.196 448 HE3 LYS 60 2HE LYS 60 14.147 2.467 28.336 449 HZ1 LYS 60 1HZ LYS 60 14.390 0.113 29.068 450 HZ2 LYS 60 2HZ LYS 60 13.394 -0.372 27.852 451 HZ3 LYS 60 3HZ LYS 60 12.809 0.606 29.054 452 H MET 61 H MET 61 9.680 3.608 23.806 453 HA MET 61 HA MET 61 9.424 3.522 20.838 454 HB2 MET 61 1HB MET 61 7.216 3.376 22.911 455 HB3 MET 61 2HB MET 61 6.987 3.500 21.166 456 HG2 MET 61 1HG MET 61 8.419 1.371 20.984 457 HG3 MET 61 2HG MET 61 8.174 1.200 22.730 458 HE1 MET 61 1HE MET 61 6.124 2.253 19.593 459 HE2 MET 61 2HE MET 61 4.956 0.921 19.459 460 HE3 MET 61 3HE MET 61 6.695 0.618 19.192 461 H LYS 62 H LYS 62 7.544 5.353 20.296 462 HA LYS 62 HA LYS 62 8.281 7.849 21.768 463 HB2 LYS 62 1HB LYS 62 8.708 7.111 18.887 464 HB3 LYS 62 2HB LYS 62 8.092 8.715 19.216 465 HG2 LYS 62 1HG LYS 62 10.630 7.609 20.420 466 HG3 LYS 62 2HG LYS 62 10.558 8.610 18.955 467 HD2 LYS 62 1HD LYS 62 9.427 10.381 20.272 468 HD3 LYS 62 2HD LYS 62 9.649 9.395 21.732 469 HE2 LYS 62 1HE LYS 62 12.103 9.365 21.304 470 HE3 LYS 62 2HE LYS 62 11.852 10.441 19.916 471 HZ1 LYS 62 1HZ LYS 62 12.472 11.679 21.920 472 HZ2 LYS 62 2HZ LYS 62 11.172 11.087 22.743 473 HZ3 LYS 62 3HZ LYS 62 10.945 12.098 21.461 474 H ASP 63 H ASP 63 6.554 6.619 19.017 475 HA ASP 63 HA ASP 63 4.492 7.062 18.132 476 HB2 ASP 63 1HB ASP 63 4.010 5.933 20.885 477 HB3 ASP 63 2HB ASP 63 2.828 5.912 19.561 478 H LEU 64 H LEU 64 5.034 9.395 18.277 479 HA LEU 64 HA LEU 64 3.983 11.103 20.274 480 HB2 LEU 64 1HB LEU 64 4.417 11.673 17.321 481 HB3 LEU 64 2HB LEU 64 4.292 12.879 18.598 482 HG LEU 64 HG LEU 64 6.535 10.845 18.298 483 HD11 LEU 64 1HD1 LEU 64 7.886 12.788 17.638 484 HD12 LEU 64 2HD1 LEU 64 6.466 13.848 17.791 485 HD13 LEU 64 3HD1 LEU 64 6.506 12.582 16.540 486 HD21 LEU 64 1HD2 LEU 64 7.683 12.243 20.024 487 HD22 LEU 64 2HD2 LEU 64 6.249 11.410 20.653 488 HD23 LEU 64 3HD2 LEU 64 6.172 13.147 20.265 489 H SER 65 H SER 65 2.258 12.681 20.089 490 HA SER 65 HA SER 65 -0.256 11.519 19.617 491 HB2 SER 65 1HB SER 65 -1.125 13.865 19.746 492 HB3 SER 65 2HB SER 65 -0.006 13.460 21.064 493 HG SER 65 HG SER 65 0.300 15.538 19.918 494 HA PRO 66 HA PRO 66 -0.438 11.619 15.303 495 HB2 PRO 66 1HB PRO 66 -3.131 11.756 14.755 496 HB3 PRO 66 2HB PRO 66 -2.337 10.282 15.402 497 HG2 PRO 66 1HG PRO 66 -3.803 12.441 16.901 498 HG3 PRO 66 2HG PRO 66 -4.025 10.664 16.983 499 HD2 PRO 66 1HD PRO 66 -2.534 11.955 18.806 500 HD3 PRO 66 2HD PRO 66 -2.012 10.357 18.164 501 H ARG 67 H ARG 67 -0.303 13.019 13.679 502 HA ARG 67 HA ARG 67 -1.609 15.666 13.944 503 HB2 ARG 67 1HB ARG 67 0.641 16.617 13.141 504 HB3 ARG 67 2HB ARG 67 0.460 16.213 14.830 505 HG2 ARG 67 1HG ARG 67 1.614 13.968 14.274 506 HG3 ARG 67 2HG ARG 67 2.053 14.736 12.736 507 HD2 ARG 67 1HD ARG 67 3.836 15.031 14.318 508 HD3 ARG 67 2HD ARG 67 3.051 16.600 14.054 509 HE ARG 67 HE ARG 67 2.263 14.902 16.382 510 HH11 ARG 67 1HH1 ARG 67 3.653 17.962 15.229 511 HH12 ARG 67 2HH1 ARG 67 3.607 18.688 16.807 512 HH21 ARG 67 1HH2 ARG 67 2.261 15.885 18.359 513 HH22 ARG 67 2HH2 ARG 67 2.846 17.523 18.546 514 H TRP 68 H TRP 68 -1.487 16.848 11.859 515 HA TRP 68 HA TRP 68 -1.334 14.950 9.548 516 HB2 TRP 68 1HB TRP 68 -3.526 16.950 10.184 517 HB3 TRP 68 2HB TRP 68 -3.374 16.065 8.668 518 HD1 TRP 68 HD1 TRP 68 -3.865 15.231 12.443 519 HE1 TRP 68 HE1 TRP 68 -5.369 13.196 12.686 520 HE3 TRP 68 HE3 TRP 68 -4.422 14.177 7.473 521 HZ2 TRP 68 HZ2 TRP 68 -6.634 11.329 10.950 522 HZ3 TRP 68 HZ3 TRP 68 -5.857 12.243 6.810 523 HH2 TRP 68 HH2 TRP 68 -6.946 10.826 8.551 524 H TYR 69 H TYR 69 -0.788 15.919 7.568 525 HA TYR 69 HA TYR 69 0.106 18.793 7.716 526 HB2 TYR 69 1HB TYR 69 1.440 16.389 6.398 527 HB3 TYR 69 2HB TYR 69 1.914 18.066 6.123 528 HD1 TYR 69 HD1 TYR 69 1.563 15.525 8.899 529 HD2 TYR 69 HD2 TYR 69 3.515 19.107 7.518 530 HE1 TYR 69 HE1 TYR 69 3.104 15.454 10.867 531 HE2 TYR 69 HE2 TYR 69 5.078 18.993 9.458 532 HH TYR 69 HH TYR 69 4.905 16.387 11.891 533 H PHE 70 H PHE 70 -0.199 19.899 5.615 534 HA PHE 70 HA PHE 70 -2.431 18.663 4.123 535 HB2 PHE 70 1HB PHE 70 -2.785 20.908 5.067 536 HB3 PHE 70 2HB PHE 70 -1.412 21.518 4.136 537 HD1 PHE 70 HD1 PHE 70 -1.736 22.309 1.912 538 HD2 PHE 70 HD2 PHE 70 -4.747 19.853 3.755 539 HE1 PHE 70 HE1 PHE 70 -3.274 22.745 -0.010 540 HE2 PHE 70 HE2 PHE 70 -6.275 20.288 1.836 541 HZ PHE 70 HZ PHE 70 -5.534 21.720 -0.043 542 H TYR 71 H TYR 71 -2.398 18.287 2.002 543 HA TYR 71 HA TYR 71 0.110 18.823 0.488 544 HB2 TYR 71 1HB TYR 71 -1.023 16.295 1.520 545 HB3 TYR 71 2HB TYR 71 -0.502 16.251 -0.190 546 HD1 TYR 71 HD1 TYR 71 0.535 16.304 3.318 547 HD2 TYR 71 HD2 TYR 71 1.933 16.754 -0.727 548 HE1 TYR 71 HE1 TYR 71 2.884 15.973 4.088 549 HE2 TYR 71 HE2 TYR 71 4.283 16.446 0.056 550 HH TYR 71 HH TYR 71 5.656 15.988 1.818 551 H TYR 72 H TYR 72 -0.268 18.700 -1.803 552 HA TYR 72 HA TYR 72 -2.973 19.580 -2.465 553 HB2 TYR 72 1HB TYR 72 -0.501 19.381 -4.205 554 HB3 TYR 72 2HB TYR 72 -1.996 20.244 -4.592 555 HD1 TYR 72 HD1 TYR 72 1.133 20.295 -2.656 556 HD2 TYR 72 HD2 TYR 72 -2.616 22.311 -3.332 557 HE1 TYR 72 HE1 TYR 72 1.985 22.292 -1.460 558 HE2 TYR 72 HE2 TYR 72 -1.735 24.319 -2.164 559 HH TYR 72 HH TYR 72 0.123 25.304 -1.254 560 H LEU 73 H LEU 73 -4.104 18.891 -4.379 561 HA LEU 73 HA LEU 73 -4.624 16.137 -4.449 562 HB2 LEU 73 1HB LEU 73 -5.736 18.365 -5.524 563 HB3 LEU 73 2HB LEU 73 -4.969 17.718 -6.961 564 HG LEU 73 HG LEU 73 -7.148 16.440 -5.290 565 HD11 LEU 73 1HD1 LEU 73 -8.516 16.770 -7.196 566 HD12 LEU 73 2HD1 LEU 73 -7.127 17.126 -8.236 567 HD13 LEU 73 3HD1 LEU 73 -7.626 18.286 -6.993 568 HD21 LEU 73 1HD2 LEU 73 -7.153 14.648 -7.064 569 HD22 LEU 73 2HD2 LEU 73 -5.779 14.590 -5.956 570 HD23 LEU 73 3HD2 LEU 73 -5.570 15.252 -7.596 571 H GLY 74 H GLY 74 -3.571 14.437 -5.273 572 HA2 GLY 74 1HA GLY 74 -2.306 13.180 -6.712 573 HA3 GLY 74 2HA GLY 74 -2.224 14.563 -7.800 574 H THR 75 H THR 75 -0.945 14.695 -4.445 575 HA THR 75 HA THR 75 1.708 15.222 -5.662 576 HB THR 75 HB THR 75 2.308 15.442 -3.099 577 HG1 THR 75 HG1 THR 75 -0.496 15.941 -2.967 578 HG21 THR 75 1HG2 THR 75 1.388 17.754 -3.034 579 HG22 THR 75 2HG2 THR 75 0.477 17.392 -4.521 580 HG23 THR 75 3HG2 THR 75 2.257 17.372 -4.534 581 H GLY 76 H GLY 76 3.522 13.974 -5.257 582 HA2 GLY 76 1HA GLY 76 4.666 12.093 -4.343 583 HA3 GLY 76 2HA GLY 76 3.114 11.347 -3.916 584 HA PRO 77 HA PRO 77 4.429 10.728 -8.522 585 HB2 PRO 77 1HB PRO 77 6.340 8.768 -8.623 586 HB3 PRO 77 2HB PRO 77 6.712 10.494 -8.438 587 HG2 PRO 77 1HG PRO 77 6.529 8.425 -6.290 588 HG3 PRO 77 2HG PRO 77 7.852 9.587 -6.622 589 HD2 PRO 77 1HD PRO 77 5.971 10.107 -4.764 590 HD3 PRO 77 2HD PRO 77 6.610 11.411 -5.827 591 H GLU 78 H GLU 78 4.440 8.197 -6.097 592 HA GLU 78 HA GLU 78 2.988 6.338 -7.925 593 HB2 GLU 78 1HB GLU 78 3.696 4.602 -6.326 594 HB3 GLU 78 2HB GLU 78 5.082 5.507 -6.945 595 HG2 GLU 78 1HG GLU 78 5.139 6.856 -4.864 596 HG3 GLU 78 2HG GLU 78 3.763 5.936 -4.235 597 H ALA 79 H ALA 79 2.076 8.763 -6.193 598 HA ALA 79 HA ALA 79 0.692 7.741 -3.972 599 HB1 ALA 79 1HB ALA 79 1.107 10.107 -4.203 600 HB2 ALA 79 2HB ALA 79 -0.647 9.857 -4.109 601 HB3 ALA 79 3HB ALA 79 0.123 10.194 -5.679 602 H GLY 80 H GLY 80 -0.352 8.231 -7.343 603 HA2 GLY 80 1HA GLY 80 -2.174 7.415 -8.502 604 HA3 GLY 80 2HA GLY 80 -2.133 6.057 -7.366 605 H LEU 81 H LEU 81 -2.762 9.464 -6.471 606 HA LEU 81 HA LEU 81 -5.396 8.538 -5.509 607 HB2 LEU 81 1HB LEU 81 -3.323 10.455 -4.487 608 HB3 LEU 81 2HB LEU 81 -4.995 10.663 -4.054 609 HG LEU 81 HG LEU 81 -3.293 8.268 -3.378 610 HD11 LEU 81 1HD1 LEU 81 -3.611 9.142 -1.057 611 HD12 LEU 81 2HD1 LEU 81 -4.474 10.540 -1.719 612 HD13 LEU 81 3HD1 LEU 81 -2.755 10.291 -2.100 613 HD21 LEU 81 1HD2 LEU 81 -5.616 7.547 -3.758 614 HD22 LEU 81 2HD2 LEU 81 -6.208 8.854 -2.707 615 HD23 LEU 81 3HD2 LEU 81 -5.248 7.542 -2.023 616 HA PRO 82 HA PRO 82 -7.074 11.900 -8.048 617 HB2 PRO 82 1HB PRO 82 -9.435 10.649 -8.544 618 HB3 PRO 82 2HB PRO 82 -7.956 10.224 -9.466 619 HG2 PRO 82 1HG PRO 82 -9.222 8.822 -7.138 620 HG3 PRO 82 2HG PRO 82 -8.527 8.134 -8.625 621 HD2 PRO 82 1HD PRO 82 -7.236 8.231 -6.246 622 HD3 PRO 82 2HD PRO 82 -6.419 8.158 -7.821 623 H TYR 83 H TYR 83 -9.061 13.183 -7.422 624 HA TYR 83 HA TYR 83 -9.163 13.503 -4.603 625 HB2 TYR 83 1HB TYR 83 -9.689 15.219 -6.347 626 HB3 TYR 83 2HB TYR 83 -11.212 14.386 -6.649 627 HD1 TYR 83 HD1 TYR 83 -9.294 16.495 -4.307 628 HD2 TYR 83 HD2 TYR 83 -13.032 14.463 -4.938 629 HE1 TYR 83 HE1 TYR 83 -10.306 17.774 -2.441 630 HE2 TYR 83 HE2 TYR 83 -14.036 15.743 -3.045 631 HH TYR 83 HH TYR 83 -13.665 17.249 -1.364 632 H GLY 84 H GLY 84 -10.357 12.575 -3.051 633 HA2 GLY 84 1HA GLY 84 -12.296 11.616 -2.143 634 HA3 GLY 84 2HA GLY 84 -12.880 11.226 -3.761 635 H ALA 85 H ALA 85 -9.795 10.087 -3.923 636 HA ALA 85 HA ALA 85 -10.661 7.373 -3.584 637 HB1 ALA 85 1HB ALA 85 -8.962 7.706 -5.136 638 HB2 ALA 85 2HB ALA 85 -8.161 6.901 -3.774 639 HB3 ALA 85 3HB ALA 85 -7.970 8.658 -4.010 640 H ASN 86 H ASN 86 -10.646 6.023 -1.934 641 HA ASN 86 HA ASN 86 -10.055 7.042 0.727 642 HB2 ASN 86 1HB ASN 86 -11.953 5.490 0.217 643 HB3 ASN 86 2HB ASN 86 -10.775 4.226 -0.180 644 HD21 ASN 86 1HD2 ASN 86 -11.141 3.177 3.128 645 HD22 ASN 86 2HD2 ASN 86 -11.440 2.839 1.441 646 H LYS 87 H LYS 87 -8.242 6.807 1.896 647 HA LYS 87 HA LYS 87 -6.415 4.563 1.428 648 HB2 LYS 87 1HB LYS 87 -5.781 6.262 -0.292 649 HB3 LYS 87 2HB LYS 87 -5.515 7.420 0.970 650 HG2 LYS 87 1HG LYS 87 -3.541 6.446 1.699 651 HG3 LYS 87 2HG LYS 87 -4.016 4.822 1.151 652 HD2 LYS 87 1HD LYS 87 -3.291 7.077 -0.738 653 HD3 LYS 87 2HD LYS 87 -2.123 5.901 -0.138 654 HE2 LYS 87 1HE LYS 87 -3.495 4.058 -1.132 655 HE3 LYS 87 2HE LYS 87 -4.615 5.263 -1.790 656 HZ1 LYS 87 1HZ LYS 87 -2.763 6.157 -3.117 657 HZ2 LYS 87 2HZ LYS 87 -3.013 4.567 -3.457 658 HZ3 LYS 87 3HZ LYS 87 -1.741 5.015 -2.515 659 H ASP 88 H ASP 88 -4.897 4.408 3.192 660 HA ASP 88 HA ASP 88 -5.997 5.140 5.698 661 HB2 ASP 88 1HB ASP 88 -4.465 3.220 5.338 662 HB3 ASP 88 2HB ASP 88 -3.142 4.351 5.012 663 H GLY 89 H GLY 89 -5.970 6.931 6.814 664 HA2 GLY 89 1HA GLY 89 -5.242 8.914 7.717 665 HA3 GLY 89 2HA GLY 89 -3.637 8.563 7.067 666 H ILE 90 H ILE 90 -6.512 8.848 4.988 667 HA ILE 90 HA ILE 90 -5.460 11.489 4.072 668 HB ILE 90 HB ILE 90 -6.608 9.253 2.294 669 HG12 ILE 90 1HG1 ILE 90 -4.331 8.735 3.063 670 HG13 ILE 90 2HG1 ILE 90 -4.395 9.062 1.340 671 HG21 ILE 90 1HG2 ILE 90 -5.823 10.822 0.431 672 HG22 ILE 90 2HG2 ILE 90 -5.586 12.072 1.679 673 HG23 ILE 90 3HG2 ILE 90 -7.208 11.413 1.366 674 HD11 ILE 90 1HD1 ILE 90 -2.448 9.964 2.640 675 HD12 ILE 90 2HD1 ILE 90 -3.577 11.208 3.255 676 HD13 ILE 90 3HD1 ILE 90 -3.276 11.051 1.507 677 H ILE 91 H ILE 91 -6.847 13.078 4.027 678 HA ILE 91 HA ILE 91 -9.771 12.451 3.739 679 HB ILE 91 HB ILE 91 -10.242 14.502 5.172 680 HG12 ILE 91 1HG1 ILE 91 -7.804 14.184 6.776 681 HG13 ILE 91 2HG1 ILE 91 -7.465 14.781 5.173 682 HG21 ILE 91 1HG2 ILE 91 -10.227 13.305 7.280 683 HG22 ILE 91 2HG2 ILE 91 -9.006 12.153 6.666 684 HG23 ILE 91 3HG2 ILE 91 -10.643 12.180 5.967 685 HD11 ILE 91 1HD1 ILE 91 -7.877 16.605 6.770 686 HD12 ILE 91 2HD1 ILE 91 -9.533 16.012 7.004 687 HD13 ILE 91 3HD1 ILE 91 -9.005 16.609 5.406 688 H TRP 92 H TRP 92 -10.539 13.359 1.936 689 HA TRP 92 HA TRP 92 -8.955 15.400 0.579 690 HB2 TRP 92 1HB TRP 92 -11.532 13.976 -0.124 691 HB3 TRP 92 2HB TRP 92 -10.692 15.120 -1.181 692 HD1 TRP 92 HD1 TRP 92 -10.503 11.568 0.089 693 HE1 TRP 92 HE1 TRP 92 -8.645 10.288 -1.070 694 HE3 TRP 92 HE3 TRP 92 -8.301 15.546 -2.261 695 HZ2 TRP 92 HZ2 TRP 92 -6.494 10.915 -2.790 696 HZ3 TRP 92 HZ3 TRP 92 -6.290 15.121 -3.672 697 HH2 TRP 92 HH2 TRP 92 -5.395 12.803 -3.947 698 H VAL 93 H VAL 93 -9.350 17.476 0.233 699 HA VAL 93 HA VAL 93 -11.954 18.651 1.041 700 HB VAL 93 HB VAL 93 -10.474 20.528 2.150 701 HG11 VAL 93 1HG1 VAL 93 -10.664 19.461 4.338 702 HG12 VAL 93 2HG1 VAL 93 -10.943 17.885 3.560 703 HG13 VAL 93 3HG1 VAL 93 -12.126 19.204 3.363 704 HG21 VAL 93 1HG2 VAL 93 -8.404 19.851 3.127 705 HG22 VAL 93 2HG2 VAL 93 -8.307 19.324 1.440 706 HG23 VAL 93 3HG2 VAL 93 -8.663 18.142 2.721 707 H ALA 94 H ALA 94 -12.244 20.806 0.158 708 HA ALA 94 HA ALA 94 -10.289 21.846 -1.760 709 HB1 ALA 94 1HB ALA 94 -11.528 20.042 -3.051 710 HB2 ALA 94 2HB ALA 94 -11.760 21.683 -3.693 711 HB3 ALA 94 3HB ALA 94 -13.040 20.921 -2.718 712 H THR 95 H THR 95 -11.258 23.971 -2.598 713 HA THR 95 HA THR 95 -13.372 24.999 -0.740 714 HB THR 95 HB THR 95 -11.109 26.119 -0.429 715 HG1 THR 95 HG1 THR 95 -12.550 28.174 -1.481 716 HG21 THR 95 1HG2 THR 95 -10.296 27.649 -2.130 717 HG22 THR 95 2HG2 THR 95 -11.622 27.207 -3.223 718 HG23 THR 95 3HG2 THR 95 -10.368 26.016 -2.812 719 H GLU 96 H GLU 96 -14.608 26.849 -1.970 720 HA GLU 96 HA GLU 96 -15.649 25.688 -4.376 721 HB2 GLU 96 1HB GLU 96 -16.897 27.175 -2.776 722 HB3 GLU 96 2HB GLU 96 -15.960 28.547 -3.391 723 HG2 GLU 96 1HG GLU 96 -16.880 28.191 -5.639 724 HG3 GLU 96 2HG GLU 96 -17.741 26.749 -5.075 725 H GLY 97 H GLY 97 -15.140 26.045 -6.472 726 HA2 GLY 97 1HA GLY 97 -14.252 27.212 -8.311 727 HA3 GLY 97 2HA GLY 97 -13.398 28.302 -7.212 728 H ALA 98 H ALA 98 -12.683 25.425 -5.905 729 HA ALA 98 HA ALA 98 -10.052 25.358 -7.077 730 HB1 ALA 98 1HB ALA 98 -10.770 24.776 -4.710 731 HB2 ALA 98 2HB ALA 98 -9.559 23.762 -5.505 732 HB3 ALA 98 3HB ALA 98 -11.250 23.201 -5.389 733 H LEU 99 H LEU 99 -9.214 24.059 -8.674 734 HA LEU 99 HA LEU 99 -11.203 22.620 -10.295 735 HB2 LEU 99 1HB LEU 99 -8.283 23.284 -10.670 736 HB3 LEU 99 2HB LEU 99 -9.135 22.195 -11.748 737 HG LEU 99 HG LEU 99 -9.786 25.129 -11.342 738 HD11 LEU 99 1HD1 LEU 99 -8.930 25.284 -13.664 739 HD12 LEU 99 2HD1 LEU 99 -8.531 23.546 -13.620 740 HD13 LEU 99 3HD1 LEU 99 -7.692 24.690 -12.540 741 HD21 LEU 99 1HD2 LEU 99 -11.281 24.795 -13.324 742 HD22 LEU 99 2HD2 LEU 99 -11.846 23.940 -11.881 743 HD23 LEU 99 3HD2 LEU 99 -11.030 23.039 -13.186 744 H ASN 100 H ASN 100 -11.340 20.531 -10.691 745 HA ASN 100 HA ASN 100 -9.955 18.730 -8.819 746 HB2 ASN 100 1HB ASN 100 -12.410 18.547 -9.283 747 HB3 ASN 100 2HB ASN 100 -12.027 18.083 -10.947 748 HD21 ASN 100 1HD2 ASN 100 -12.309 14.810 -9.705 749 HD22 ASN 100 2HD2 ASN 100 -13.075 16.085 -10.619 750 H THR 101 H THR 101 -7.878 19.347 -9.895 751 HA THR 101 HA THR 101 -7.196 17.266 -11.896 752 HB THR 101 HB THR 101 -7.720 19.727 -12.909 753 HG1 THR 101 HG1 THR 101 -7.075 18.138 -14.241 754 HG21 THR 101 1HG2 THR 101 -5.741 21.089 -13.136 755 HG22 THR 101 2HG2 THR 101 -4.773 19.916 -12.216 756 HG23 THR 101 3HG2 THR 101 -6.062 20.850 -11.405 757 HA PRO 102 HA PRO 102 -3.864 17.198 -8.986 758 HB2 PRO 102 1HB PRO 102 -1.701 16.431 -10.450 759 HB3 PRO 102 2HB PRO 102 -3.055 15.308 -10.085 760 HG2 PRO 102 1HG PRO 102 -2.525 16.933 -12.566 761 HG3 PRO 102 2HG PRO 102 -2.968 15.204 -12.423 762 HD2 PRO 102 1HD PRO 102 -4.786 17.125 -12.985 763 HD3 PRO 102 2HD PRO 102 -5.194 15.684 -11.993 764 H LYS 103 H LYS 103 -2.169 18.448 -8.117 765 HA LYS 103 HA LYS 103 -0.725 20.295 -9.907 766 HB2 LYS 103 1HB LYS 103 -1.136 22.217 -8.199 767 HB3 LYS 103 2HB LYS 103 -2.253 21.931 -9.513 768 HG2 LYS 103 1HG LYS 103 -2.845 20.688 -6.844 769 HG3 LYS 103 2HG LYS 103 -3.116 22.423 -7.069 770 HD2 LYS 103 1HD LYS 103 -4.161 20.643 -9.217 771 HD3 LYS 103 2HD LYS 103 -4.958 20.511 -7.657 772 HE2 LYS 103 1HE LYS 103 -6.180 22.043 -9.037 773 HE3 LYS 103 2HE LYS 103 -5.429 22.943 -7.726 774 HZ1 LYS 103 1HZ LYS 103 -5.273 24.040 -9.910 775 HZ2 LYS 103 2HZ LYS 103 -4.327 22.805 -10.463 776 HZ3 LYS 103 3HZ LYS 103 -3.792 23.775 -9.234 777 H ASP 104 H ASP 104 0.425 18.252 -9.072 778 HA ASP 104 HA ASP 104 1.531 18.241 -6.448 779 HB2 ASP 104 1HB ASP 104 3.045 16.595 -7.311 780 HB3 ASP 104 2HB ASP 104 1.480 16.332 -8.095 781 H HIS 105 H HIS 105 2.222 20.096 -9.271 782 HA HIS 105 HA HIS 105 4.956 20.649 -8.989 783 HB2 HIS 105 1HB HIS 105 4.585 22.512 -10.426 784 HB3 HIS 105 2HB HIS 105 3.432 21.263 -10.912 785 HD1 HIS 105 HD1 HIS 105 3.660 24.734 -9.423 786 HD2 HIS 105 HD2 HIS 105 0.690 21.934 -10.390 787 HE1 HIS 105 HE1 HIS 105 1.413 25.951 -9.301 788 H ILE 106 H ILE 106 2.386 21.740 -6.916 789 HA ILE 106 HA ILE 106 3.863 24.100 -5.990 790 HB ILE 106 HB ILE 106 1.513 22.798 -4.587 791 HG12 ILE 106 1HG1 ILE 106 1.272 24.913 -6.743 792 HG13 ILE 106 2HG1 ILE 106 1.063 23.192 -7.079 793 HG21 ILE 106 1HG2 ILE 106 1.080 25.169 -3.869 794 HG22 ILE 106 2HG2 ILE 106 2.498 25.707 -4.794 795 HG23 ILE 106 3HG2 ILE 106 2.689 24.643 -3.386 796 HD11 ILE 106 1HD1 ILE 106 -1.044 24.069 -6.770 797 HD12 ILE 106 2HD1 ILE 106 -0.584 24.892 -5.272 798 HD13 ILE 106 3HD1 ILE 106 -0.673 23.114 -5.335 799 H GLY 107 H GLY 107 3.495 20.707 -5.224 800 HA2 GLY 107 1HA GLY 107 4.443 20.904 -2.487 801 HA3 GLY 107 2HA GLY 107 4.149 19.433 -3.420 802 H THR 108 H THR 108 6.230 21.683 -4.984 803 HA THR 108 HA THR 108 8.489 19.838 -4.646 804 HB THR 108 HB THR 108 7.818 20.914 -6.856 805 HG1 THR 108 HG1 THR 108 10.053 21.420 -7.373 806 HG21 THR 108 1HG2 THR 108 8.456 23.188 -7.345 807 HG22 THR 108 2HG2 THR 108 9.167 23.404 -5.733 808 HG23 THR 108 3HG2 THR 108 7.404 23.230 -5.919 809 H ARG 109 H ARG 109 7.343 21.757 -2.472 810 HA ARG 109 HA ARG 109 9.332 23.719 -1.903 811 HB2 ARG 109 1HB ARG 109 6.998 23.526 -0.909 812 HB3 ARG 109 2HB ARG 109 7.620 22.217 0.108 813 HG2 ARG 109 1HG ARG 109 9.338 23.833 0.995 814 HG3 ARG 109 2HG ARG 109 8.526 25.105 0.066 815 HD2 ARG 109 1HD ARG 109 7.578 25.321 2.185 816 HD3 ARG 109 2HD ARG 109 6.403 24.377 1.283 817 HE ARG 109 HE ARG 109 6.751 22.560 2.654 818 HH11 ARG 109 1HH1 ARG 109 9.348 24.877 3.279 819 HH12 ARG 109 2HH1 ARG 109 9.912 23.994 4.674 820 HH21 ARG 109 1HH2 ARG 109 7.467 21.551 4.444 821 HH22 ARG 109 2HH2 ARG 109 8.865 22.132 5.321 822 H ASN 110 H ASN 110 11.297 23.591 -0.991 823 HA ASN 110 HA ASN 110 12.203 20.911 -0.026 824 HB2 ASN 110 1HB ASN 110 13.594 23.270 -1.304 825 HB3 ASN 110 2HB ASN 110 14.506 22.147 -0.292 826 HD21 ASN 110 1HD2 ASN 110 14.705 21.047 -3.835 827 HD22 ASN 110 2HD2 ASN 110 15.096 22.511 -2.970 828 HA PRO 111 HA PRO 111 11.795 23.127 3.816 829 HB2 PRO 111 1HB PRO 111 12.624 21.216 5.575 830 HB3 PRO 111 2HB PRO 111 11.052 21.111 4.716 831 HG2 PRO 111 1HG PRO 111 13.679 19.828 3.995 832 HG3 PRO 111 2HG PRO 111 12.064 19.068 4.168 833 HD2 PRO 111 1HD PRO 111 13.023 19.794 1.755 834 HD3 PRO 111 2HD PRO 111 11.284 19.999 2.158 835 H ALA 112 H ALA 112 14.747 21.881 2.527 836 HA ALA 112 HA ALA 112 16.523 22.913 4.558 837 HB1 ALA 112 1HB ALA 112 17.185 21.117 2.975 838 HB2 ALA 112 2HB ALA 112 18.261 22.527 2.833 839 HB3 ALA 112 3HB ALA 112 17.001 22.250 1.608 840 H ASN 113 H ASN 113 14.789 24.279 1.848 841 HA ASN 113 HA ASN 113 16.569 26.664 1.822 842 HB2 ASN 113 1HB ASN 113 14.444 25.710 -0.130 843 HB3 ASN 113 2HB ASN 113 15.418 27.172 -0.320 844 HD21 ASN 113 1HD2 ASN 113 16.840 24.104 -2.084 845 HD22 ASN 113 2HD2 ASN 113 15.188 24.654 -1.919 846 H ASN 114 H ASN 114 13.268 25.716 2.675 847 HA ASN 114 HA ASN 114 12.690 28.505 3.363 848 HB2 ASN 114 1HB ASN 114 11.484 28.538 1.411 849 HB3 ASN 114 2HB ASN 114 11.506 26.786 1.292 850 HD21 ASN 114 1HD2 ASN 114 8.484 28.574 3.145 851 HD22 ASN 114 2HD2 ASN 114 9.956 29.399 2.678 852 H ALA 115 H ALA 115 11.035 28.679 4.886 853 HA ALA 115 HA ALA 115 10.736 26.335 6.673 854 HB1 ALA 115 1HB ALA 115 11.565 28.455 7.653 855 HB2 ALA 115 2HB ALA 115 9.989 27.998 8.342 856 HB3 ALA 115 3HB ALA 115 10.079 29.282 7.116 857 H ALA 116 H ALA 116 8.742 25.532 7.290 858 HA ALA 116 HA ALA 116 6.589 25.772 5.399 859 HB1 ALA 116 1HB ALA 116 7.091 23.671 6.642 860 HB2 ALA 116 2HB ALA 116 5.414 24.201 6.874 861 HB3 ALA 116 3HB ALA 116 6.612 24.471 8.159 862 H ILE 117 H ILE 117 4.529 26.586 5.673 863 HA ILE 117 HA ILE 117 4.357 29.018 7.322 864 HB ILE 117 HB ILE 117 2.355 27.707 5.423 865 HG12 ILE 117 1HG1 ILE 117 3.918 30.161 4.689 866 HG13 ILE 117 2HG1 ILE 117 4.732 28.605 4.587 867 HG21 ILE 117 1HG2 ILE 117 1.357 30.008 5.284 868 HG22 ILE 117 2HG2 ILE 117 2.480 30.548 6.552 869 HG23 ILE 117 3HG2 ILE 117 1.241 29.322 6.908 870 HD11 ILE 117 1HD1 ILE 117 3.796 29.144 2.462 871 HD12 ILE 117 2HD1 ILE 117 2.182 29.361 3.180 872 HD13 ILE 117 3HD1 ILE 117 2.941 27.746 3.149 873 H VAL 118 H VAL 118 3.125 29.238 9.186 874 HA VAL 118 HA VAL 118 2.144 26.882 10.490 875 HB VAL 118 HB VAL 118 2.612 28.566 11.987 876 HG11 VAL 118 1HG1 VAL 118 1.725 30.868 11.886 877 HG12 VAL 118 2HG1 VAL 118 1.106 30.524 10.252 878 HG13 VAL 118 3HG1 VAL 118 2.859 30.472 10.586 879 HG21 VAL 118 1HG2 VAL 118 0.497 29.240 13.039 880 HG22 VAL 118 2HG2 VAL 118 0.396 27.560 12.482 881 HG23 VAL 118 3HG2 VAL 118 -0.399 28.861 11.564 882 H LEU 119 H LEU 119 0.315 25.790 10.164 883 HA LEU 119 HA LEU 119 -1.362 26.451 7.941 884 HB2 LEU 119 1HB LEU 119 -0.769 24.182 9.005 885 HB3 LEU 119 2HB LEU 119 -2.039 24.513 10.177 886 HG LEU 119 HG LEU 119 -2.706 24.727 7.260 887 HD11 LEU 119 1HD1 LEU 119 -3.036 22.341 7.042 888 HD12 LEU 119 2HD1 LEU 119 -2.451 22.068 8.701 889 HD13 LEU 119 3HD1 LEU 119 -1.345 22.664 7.456 890 HD21 LEU 119 1HD2 LEU 119 -4.165 23.771 9.752 891 HD22 LEU 119 2HD2 LEU 119 -4.837 23.629 8.117 892 HD23 LEU 119 3HD2 LEU 119 -4.494 25.228 8.798 893 H GLN 120 H GLN 120 -3.133 27.623 7.769 894 HA GLN 120 HA GLN 120 -4.655 28.413 10.221 895 HB2 GLN 120 1HB GLN 120 -3.771 30.161 7.903 896 HB3 GLN 120 2HB GLN 120 -4.954 30.647 9.123 897 HG2 GLN 120 1HG GLN 120 -3.358 30.811 10.802 898 HG3 GLN 120 2HG GLN 120 -2.221 29.766 9.951 899 HE21 GLN 120 1HE2 GLN 120 -0.758 32.310 8.057 900 HE22 GLN 120 2HE2 GLN 120 -0.906 30.587 8.337 901 H LEU 121 H LEU 121 -6.878 28.937 9.700 902 HA LEU 121 HA LEU 121 -7.763 27.647 7.151 903 HB2 LEU 121 1HB LEU 121 -8.890 27.658 9.945 904 HB3 LEU 121 2HB LEU 121 -9.978 27.527 8.579 905 HG LEU 121 HG LEU 121 -7.770 25.560 9.243 906 HD11 LEU 121 1HD1 LEU 121 -9.576 25.480 10.838 907 HD12 LEU 121 2HD1 LEU 121 -9.779 24.109 9.726 908 HD13 LEU 121 3HD1 LEU 121 -10.790 25.553 9.549 909 HD21 LEU 121 1HD2 LEU 121 -9.912 25.526 7.066 910 HD22 LEU 121 2HD2 LEU 121 -8.925 24.122 7.531 911 HD23 LEU 121 3HD2 LEU 121 -8.155 25.551 6.830 912 HA PRO 122 HA PRO 122 -9.437 31.551 6.177 913 HB2 PRO 122 1HB PRO 122 -11.383 30.937 4.384 914 HB3 PRO 122 2HB PRO 122 -9.630 30.685 4.023 915 HG2 PRO 122 1HG PRO 122 -11.673 28.717 5.022 916 HG3 PRO 122 2HG PRO 122 -10.562 28.571 3.625 917 HD2 PRO 122 1HD PRO 122 -9.979 27.489 6.015 918 HD3 PRO 122 2HD PRO 122 -8.703 28.227 4.987 919 H GLN 123 H GLN 123 -11.458 32.844 6.087 920 HA GLN 123 HA GLN 123 -12.869 32.743 8.506 921 HB2 GLN 123 1HB GLN 123 -12.645 34.717 6.994 922 HB3 GLN 123 2HB GLN 123 -13.748 33.947 5.848 923 HG2 GLN 123 1HG GLN 123 -15.557 34.027 7.511 924 HG3 GLN 123 2HG GLN 123 -14.457 34.772 8.684 925 HE21 GLN 123 1HE2 GLN 123 -16.463 37.075 6.138 926 HE22 GLN 123 2HE2 GLN 123 -16.842 35.406 6.485 927 H GLY 124 H GLY 124 -14.603 31.673 9.230 928 HA2 GLY 124 1HA GLY 124 -16.708 30.623 9.031 929 HA3 GLY 124 2HA GLY 124 -16.436 30.387 7.301 930 H THR 125 H THR 125 -13.564 29.330 8.160 931 HA THR 125 HA THR 125 -14.618 26.595 8.735 932 HB THR 125 HB THR 125 -11.839 27.205 7.714 933 HG1 THR 125 HG1 THR 125 -13.394 28.156 6.312 934 HG21 THR 125 1HG2 THR 125 -12.432 24.877 8.524 935 HG22 THR 125 2HG2 THR 125 -12.027 24.949 6.801 936 HG23 THR 125 3HG2 THR 125 -13.715 24.829 7.313 937 H THR 126 H THR 126 -14.251 25.644 10.585 938 HA THR 126 HA THR 126 -12.126 26.743 12.369 939 HB THR 126 HB THR 126 -13.669 25.776 14.208 940 HG1 THR 126 HG1 THR 126 -15.867 25.694 13.554 941 HG21 THR 126 1HG2 THR 126 -14.995 27.819 14.302 942 HG22 THR 126 2HG2 THR 126 -14.655 28.152 12.588 943 HG23 THR 126 3HG2 THR 126 -13.335 28.192 13.785 944 H LEU 127 H LEU 127 -10.957 25.291 13.588 945 HA LEU 127 HA LEU 127 -10.538 22.703 12.372 946 HB2 LEU 127 1HB LEU 127 -9.634 23.777 15.050 947 HB3 LEU 127 2HB LEU 127 -9.031 22.318 14.310 948 HG LEU 127 HG LEU 127 -8.653 25.086 13.131 949 HD11 LEU 127 1HD1 LEU 127 -6.343 24.912 13.936 950 HD12 LEU 127 2HD1 LEU 127 -6.713 23.351 14.708 951 HD13 LEU 127 3HD1 LEU 127 -7.485 24.841 15.296 952 HD21 LEU 127 1HD2 LEU 127 -6.990 23.969 11.716 953 HD22 LEU 127 2HD2 LEU 127 -8.580 23.229 11.497 954 HD23 LEU 127 3HD2 LEU 127 -7.359 22.407 12.487 955 HA PRO 128 HA PRO 128 -13.546 20.588 14.786 956 HB2 PRO 128 1HB PRO 128 -12.674 18.011 14.768 957 HB3 PRO 128 2HB PRO 128 -13.256 18.834 13.287 958 HG2 PRO 128 1HG PRO 128 -10.490 18.338 14.217 959 HG3 PRO 128 2HG PRO 128 -11.201 18.157 12.594 960 HD2 PRO 128 1HD PRO 128 -9.708 20.336 13.425 961 HD3 PRO 128 2HD PRO 128 -10.928 20.418 12.122 962 H LYS 129 H LYS 129 -13.683 18.978 16.741 963 HA LYS 129 HA LYS 129 -12.611 20.379 18.919 964 HB2 LYS 129 1HB LYS 129 -14.635 18.923 18.875 965 HB3 LYS 129 2HB LYS 129 -13.576 17.511 18.858 966 HG2 LYS 129 1HG LYS 129 -12.645 18.182 21.035 967 HG3 LYS 129 2HG LYS 129 -13.727 19.594 21.052 968 HD2 LYS 129 1HD LYS 129 -15.673 18.071 20.894 969 HD3 LYS 129 2HD LYS 129 -14.574 16.680 20.954 970 HE2 LYS 129 1HE LYS 129 -14.883 18.804 23.117 971 HE3 LYS 129 2HE LYS 129 -15.573 17.168 23.167 972 HZ1 LYS 129 1HZ LYS 129 -13.314 16.289 23.087 973 HZ2 LYS 129 2HZ LYS 129 -13.496 17.283 24.392 974 HZ3 LYS 129 3HZ LYS 129 -12.680 17.810 23.059 975 H GLY 130 H GLY 130 -10.760 20.432 19.919 976 HA2 GLY 130 1HA GLY 130 -8.958 19.517 21.087 977 HA3 GLY 130 2HA GLY 130 -9.171 17.992 20.231 978 H PHE 131 H PHE 131 -9.115 20.159 17.750 979 HA PHE 131 HA PHE 131 -6.308 19.595 17.291 980 HB2 PHE 131 1HB PHE 131 -8.698 20.196 15.665 981 HB3 PHE 131 2HB PHE 131 -7.202 20.936 15.099 982 HD1 PHE 131 HD1 PHE 131 -5.286 19.588 14.430 983 HD2 PHE 131 HD2 PHE 131 -9.001 17.778 15.579 984 HE1 PHE 131 HE1 PHE 131 -4.571 17.459 13.349 985 HE2 PHE 131 HE2 PHE 131 -8.310 15.654 14.488 986 HZ PHE 131 HZ PHE 131 -6.092 15.498 13.372 987 H TYR 132 H TYR 132 -4.848 20.977 16.890 988 HA TYR 132 HA TYR 132 -5.374 23.878 16.833 989 HB2 TYR 132 1HB TYR 132 -3.647 24.398 18.472 990 HB3 TYR 132 2HB TYR 132 -4.939 23.447 19.203 991 HD1 TYR 132 HD1 TYR 132 -4.548 21.041 19.834 992 HD2 TYR 132 HD2 TYR 132 -1.363 23.545 18.356 993 HE1 TYR 132 HE1 TYR 132 -2.867 19.470 20.777 994 HE2 TYR 132 HE2 TYR 132 0.311 21.958 19.306 995 HH TYR 132 HH TYR 132 -0.668 19.062 21.159 996 H ALA 133 H ALA 133 -3.378 25.050 16.092 997 HA ALA 133 HA ALA 133 -1.994 23.326 14.107 998 HB1 ALA 133 1HB ALA 133 -3.401 25.117 13.166 999 HB2 ALA 133 2HB ALA 133 -1.682 25.415 12.823 1000 HB3 ALA 133 3HB ALA 133 -2.505 26.327 14.107 1001 H GLU 134 H GLU 134 0.121 23.163 13.973 1002 HA GLU 134 HA GLU 134 1.802 24.005 16.162 1003 HB2 GLU 134 1HB GLU 134 2.134 21.992 14.716 1004 HB3 GLU 134 2HB GLU 134 2.463 23.051 13.356 1005 HG2 GLU 134 1HG GLU 134 4.556 22.395 14.030 1006 HG3 GLU 134 2HG GLU 134 4.376 23.988 14.782 1007 H GLY 135 H GLY 135 3.034 25.844 16.390 1008 HA2 GLY 135 1HA GLY 135 4.272 27.703 15.641 1009 HA3 GLY 135 2HA GLY 135 3.558 27.546 14.033 1010 H SER 136 H SER 136 0.803 27.398 15.198 1011 HA SER 136 HA SER 136 0.228 30.204 15.209 1012 HB2 SER 136 1HB SER 136 -1.246 28.215 14.434 1013 HB3 SER 136 2HB SER 136 -1.651 28.021 16.150 1014 HG SER 136 HG SER 136 -2.315 30.057 14.347 1015 H ARG 137 H ARG 137 -1.440 30.905 16.924 1016 HA ARG 137 HA ARG 137 -1.843 31.719 19.014 1017 HB2 ARG 137 1HB ARG 137 -2.014 29.205 19.395 1018 HB3 ARG 137 2HB ARG 137 -0.478 29.364 20.260 1019 HG2 ARG 137 1HG ARG 137 -1.441 30.791 21.893 1020 HG3 ARG 137 2HG ARG 137 -2.884 31.085 20.888 1021 HD2 ARG 137 1HD ARG 137 -3.475 28.774 21.024 1022 HD3 ARG 137 2HD ARG 137 -2.034 28.442 22.008 1023 HE ARG 137 HE ARG 137 -3.494 30.509 23.273 1024 HH11 ARG 137 1HH1 ARG 137 -3.892 27.064 22.625 1025 HH12 ARG 137 2HH1 ARG 137 -4.919 26.825 24.014 1026 HH21 ARG 137 1HH2 ARG 137 -4.797 30.130 25.033 1027 HH22 ARG 137 2HH2 ARG 137 -5.420 28.535 25.353 1028 H GLY 138 H GLY 138 1.227 31.508 17.854 1029 HA2 GLY 138 1HA GLY 138 2.744 32.467 20.099 1030 HA3 GLY 138 2HA GLY 138 3.180 32.638 18.384 1031 H GLY 139 H GLY 139 3.614 34.693 20.282 1032 HA2 GLY 139 1HA GLY 139 1.621 36.730 19.373 1033 HA3 GLY 139 2HA GLY 139 2.239 36.679 21.032 1034 H SER 140 H SER 140 4.139 36.035 18.100 1035 HA SER 140 HA SER 140 5.402 38.687 18.131 1036 HB2 SER 140 1HB SER 140 6.983 36.134 18.674 1037 HB3 SER 140 2HB SER 140 7.660 37.762 18.433 1038 HG SER 140 HG SER 140 5.822 37.978 20.306 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 15.848 -1.818 0.503 2 H2 GLY 1 2H GLY 1 15.856 -1.360 -1.082 3 H3 GLY 1 3H GLY 1 14.446 -1.824 -0.366 4 HA2 GLY 1 1HA GLY 1 14.504 0.068 1.111 5 HA3 GLY 1 2HA GLY 1 16.019 0.566 0.330 6 H ALA 2 H ALA 2 14.415 2.575 0.087 7 HA ALA 2 HA ALA 2 12.442 2.350 -2.016 8 HB1 ALA 2 1HB ALA 2 12.400 4.181 -0.324 9 HB2 ALA 2 2HB ALA 2 12.496 4.832 -1.974 10 HB3 ALA 2 3HB ALA 2 13.952 4.794 -0.951 11 H MET 3 H MET 3 12.672 3.123 -4.204 12 HA MET 3 HA MET 3 15.265 2.454 -5.364 13 HB2 MET 3 1HB MET 3 12.658 3.397 -6.614 14 HB3 MET 3 2HB MET 3 14.070 2.826 -7.516 15 HG2 MET 3 1HG MET 3 12.489 1.159 -5.530 16 HG3 MET 3 2HG MET 3 12.313 1.104 -7.293 17 HE1 MET 3 1HE MET 3 14.169 -0.255 -4.240 18 HE2 MET 3 2HE MET 3 14.836 -1.677 -5.076 19 HE3 MET 3 3HE MET 3 13.093 -1.328 -5.168 20 H GLY 4 H GLY 4 15.866 4.614 -3.870 21 HA2 GLY 4 1HA GLY 4 16.883 6.679 -4.015 22 HA3 GLY 4 2HA GLY 4 16.985 6.411 -5.761 23 H LEU 5 H LEU 5 13.945 6.522 -4.052 24 HA LEU 5 HA LEU 5 12.865 8.425 -5.863 25 HB2 LEU 5 1HB LEU 5 11.856 7.600 -3.119 26 HB3 LEU 5 2HB LEU 5 10.904 8.409 -4.361 27 HG LEU 5 HG LEU 5 12.072 5.607 -4.572 28 HD11 LEU 5 1HD1 LEU 5 9.752 4.855 -4.318 29 HD12 LEU 5 2HD1 LEU 5 9.209 6.536 -4.144 30 HD13 LEU 5 3HD1 LEU 5 10.256 5.807 -2.905 31 HD21 LEU 5 1HD2 LEU 5 10.571 5.404 -6.559 32 HD22 LEU 5 2HD2 LEU 5 11.876 6.579 -6.794 33 HD23 LEU 5 3HD2 LEU 5 10.224 7.144 -6.442 34 HA PRO 6 HA PRO 6 14.215 12.134 -3.829 35 HB2 PRO 6 1HB PRO 6 12.615 14.010 -4.986 36 HB3 PRO 6 2HB PRO 6 13.882 13.138 -5.909 37 HG2 PRO 6 1HG PRO 6 10.932 12.554 -5.744 38 HG3 PRO 6 2HG PRO 6 11.971 12.714 -7.195 39 HD2 PRO 6 1HD PRO 6 11.333 10.301 -6.110 40 HD3 PRO 6 2HD PRO 6 12.926 10.610 -6.885 41 H ASN 7 H ASN 7 13.595 11.563 -1.710 42 HA ASN 7 HA ASN 7 10.833 11.903 -0.829 43 HB2 ASN 7 1HB ASN 7 11.656 11.066 1.288 44 HB3 ASN 7 2HB ASN 7 12.329 10.091 -0.026 45 HD21 ASN 7 1HD2 ASN 7 14.784 11.736 2.612 46 HD22 ASN 7 2HD2 ASN 7 13.058 11.562 2.824 47 H ASN 8 H ASN 8 12.236 14.427 -1.689 48 HA ASN 8 HA ASN 8 12.748 15.963 0.724 49 HB2 ASN 8 1HB ASN 8 12.725 16.416 -2.156 50 HB3 ASN 8 2HB ASN 8 11.881 17.721 -1.315 51 HD21 ASN 8 1HD2 ASN 8 15.782 17.896 -1.493 52 HD22 ASN 8 2HD2 ASN 8 14.707 17.091 -2.608 53 H THR 9 H THR 9 9.987 15.212 -1.221 54 HA THR 9 HA THR 9 7.917 16.669 -1.045 55 HB THR 9 HB THR 9 6.507 14.698 -0.254 56 HG1 THR 9 HG1 THR 9 8.316 13.944 1.133 57 HG21 THR 9 1HG2 THR 9 7.034 13.320 -2.165 58 HG22 THR 9 2HG2 THR 9 8.681 13.971 -2.259 59 HG23 THR 9 3HG2 THR 9 7.284 15.012 -2.637 60 H ALA 10 H ALA 10 7.701 18.325 0.252 61 HA ALA 10 HA ALA 10 7.105 17.714 3.109 62 HB1 ALA 10 1HB ALA 10 9.369 18.670 2.710 63 HB2 ALA 10 2HB ALA 10 8.332 19.682 3.751 64 HB3 ALA 10 3HB ALA 10 8.595 20.124 2.040 65 H SER 11 H SER 11 5.465 18.721 4.073 66 HA SER 11 HA SER 11 3.356 19.893 2.514 67 HB2 SER 11 1HB SER 11 2.863 18.728 4.573 68 HB3 SER 11 2HB SER 11 3.968 19.768 5.488 69 HG SER 11 HG SER 11 2.407 21.100 5.785 70 H TRP 12 H TRP 12 2.757 22.009 2.233 71 HA TRP 12 HA TRP 12 4.754 24.069 2.500 72 HB2 TRP 12 1HB TRP 12 1.915 23.918 1.588 73 HB3 TRP 12 2HB TRP 12 2.529 25.497 2.096 74 HD1 TRP 12 HD1 TRP 12 2.738 23.044 -0.746 75 HE1 TRP 12 HE1 TRP 12 4.213 23.911 -2.614 76 HE3 TRP 12 HE3 TRP 12 4.719 27.038 1.748 77 HZ2 TRP 12 HZ2 TRP 12 6.046 26.062 -2.992 78 HZ3 TRP 12 HZ3 TRP 12 6.379 28.489 0.559 79 HH2 TRP 12 HH2 TRP 12 7.043 27.975 -1.794 80 H PHE 13 H PHE 13 2.345 22.817 4.605 81 HA PHE 13 HA PHE 13 2.619 25.233 6.306 82 HB2 PHE 13 1HB PHE 13 0.237 23.383 6.133 83 HB3 PHE 13 2HB PHE 13 0.341 24.933 6.983 84 HD1 PHE 13 HD1 PHE 13 -0.315 23.264 3.839 85 HD2 PHE 13 HD2 PHE 13 0.584 27.054 5.640 86 HE1 PHE 13 HE1 PHE 13 -1.029 24.406 1.761 87 HE2 PHE 13 HE2 PHE 13 -0.097 28.210 3.546 88 HZ PHE 13 HZ PHE 13 -0.869 26.864 1.594 89 H THR 14 H THR 14 2.370 24.940 8.573 90 HA THR 14 HA THR 14 3.974 22.768 9.528 91 HB THR 14 HB THR 14 3.370 23.584 11.775 92 HG1 THR 14 HG1 THR 14 1.890 25.174 12.037 93 HG21 THR 14 1HG2 THR 14 4.300 25.844 11.586 94 HG22 THR 14 2HG2 THR 14 4.019 25.829 9.835 95 HG23 THR 14 3HG2 THR 14 5.190 24.703 10.556 96 H ALA 15 H ALA 15 3.320 21.264 11.216 97 HA ALA 15 HA ALA 15 1.074 19.751 10.184 98 HB1 ALA 15 1HB ALA 15 2.699 19.030 12.621 99 HB2 ALA 15 2HB ALA 15 3.395 18.907 10.991 100 HB3 ALA 15 3HB ALA 15 1.952 17.962 11.402 101 H LEU 16 H LEU 16 -0.838 19.344 11.073 102 HA LEU 16 HA LEU 16 -1.689 20.831 13.467 103 HB2 LEU 16 1HB LEU 16 -2.928 19.035 11.400 104 HB3 LEU 16 2HB LEU 16 -3.727 19.227 12.939 105 HG LEU 16 HG LEU 16 -4.230 21.486 12.554 106 HD11 LEU 16 1HD1 LEU 16 -3.349 22.765 10.716 107 HD12 LEU 16 2HD1 LEU 16 -2.256 21.430 10.309 108 HD13 LEU 16 3HD1 LEU 16 -2.106 22.291 11.854 109 HD21 LEU 16 1HD2 LEU 16 -5.355 21.463 10.359 110 HD22 LEU 16 2HD2 LEU 16 -5.605 19.956 11.264 111 HD23 LEU 16 3HD2 LEU 16 -4.433 20.004 9.927 112 H THR 17 H THR 17 -2.322 19.848 15.383 113 HA THR 17 HA THR 17 -1.368 17.028 15.763 114 HB THR 17 HB THR 17 -1.189 19.360 17.725 115 HG1 THR 17 HG1 THR 17 0.342 19.548 16.073 116 HG21 THR 17 1HG2 THR 17 -1.428 17.278 18.917 117 HG22 THR 17 2HG2 THR 17 0.280 17.764 18.977 118 HG23 THR 17 3HG2 THR 17 -0.229 16.481 17.857 119 H GLN 18 H GLN 18 -2.776 15.734 16.876 120 HA GLN 18 HA GLN 18 -5.414 16.963 17.552 121 HB2 GLN 18 1HB GLN 18 -5.533 15.394 15.713 122 HB3 GLN 18 2HB GLN 18 -4.602 14.202 16.588 123 HG2 GLN 18 1HG GLN 18 -6.927 13.510 16.507 124 HG3 GLN 18 2HG GLN 18 -6.477 13.851 18.173 125 HE21 GLN 18 1HE2 GLN 18 -9.798 15.422 16.885 126 HE22 GLN 18 2HE2 GLN 18 -9.026 13.926 16.362 127 H HIS 19 H HIS 19 -6.247 16.793 19.489 128 HA HIS 19 HA HIS 19 -5.322 14.572 21.281 129 HB2 HIS 19 1HB HIS 19 -4.346 16.729 22.077 130 HB3 HIS 19 2HB HIS 19 -5.960 17.444 22.087 131 HD1 HIS 19 HD1 HIS 19 -3.747 15.090 24.032 132 HD2 HIS 19 HD2 HIS 19 -7.618 16.620 24.190 133 HE1 HIS 19 HE1 HIS 19 -4.672 14.515 26.317 134 H GLY 20 H GLY 20 -7.130 13.322 20.693 135 HA2 GLY 20 1HA GLY 20 -9.650 13.945 21.836 136 HA3 GLY 20 2HA GLY 20 -9.678 14.414 20.123 137 H LYS 21 H LYS 21 -11.390 12.686 20.093 138 HA LYS 21 HA LYS 21 -10.263 9.928 20.144 139 HB2 LYS 21 1HB LYS 21 -13.106 10.990 20.145 140 HB3 LYS 21 2HB LYS 21 -12.690 9.290 19.935 141 HG2 LYS 21 1HG LYS 21 -11.457 9.382 22.127 142 HG3 LYS 21 2HG LYS 21 -12.139 11.003 22.375 143 HD2 LYS 21 1HD LYS 21 -14.424 10.045 22.189 144 HD3 LYS 21 2HD LYS 21 -13.715 8.433 21.941 145 HE2 LYS 21 1HE LYS 21 -12.598 8.613 24.166 146 HE3 LYS 21 2HE LYS 21 -13.406 10.174 24.422 147 HZ1 LYS 21 1HZ LYS 21 -15.535 9.016 24.264 148 HZ2 LYS 21 2HZ LYS 21 -14.618 8.364 25.469 149 HZ3 LYS 21 3HZ LYS 21 -14.777 7.570 24.032 150 H GLU 22 H GLU 22 -11.406 12.304 17.877 151 HA GLU 22 HA GLU 22 -11.758 10.258 15.776 152 HB2 GLU 22 1HB GLU 22 -12.489 12.167 14.400 153 HB3 GLU 22 2HB GLU 22 -13.434 11.989 15.865 154 HG2 GLU 22 1HG GLU 22 -12.053 13.817 16.913 155 HG3 GLU 22 2HG GLU 22 -11.272 14.051 15.338 156 H ASP 23 H ASP 23 -10.675 10.617 13.696 157 HA ASP 23 HA ASP 23 -7.818 11.011 14.155 158 HB2 ASP 23 1HB ASP 23 -9.558 9.803 12.158 159 HB3 ASP 23 2HB ASP 23 -8.312 10.791 11.384 160 H LEU 24 H LEU 24 -10.052 12.390 11.728 161 HA LEU 24 HA LEU 24 -9.683 15.134 12.299 162 HB2 LEU 24 1HB LEU 24 -7.371 14.866 11.411 163 HB3 LEU 24 2HB LEU 24 -8.000 14.081 9.976 164 HG LEU 24 HG LEU 24 -9.035 16.159 9.232 165 HD11 LEU 24 1HD1 LEU 24 -7.779 17.570 11.607 166 HD12 LEU 24 2HD1 LEU 24 -9.502 17.196 11.471 167 HD13 LEU 24 3HD1 LEU 24 -8.747 18.293 10.306 168 HD21 LEU 24 1HD2 LEU 24 -6.999 17.445 8.788 169 HD22 LEU 24 2HD2 LEU 24 -6.724 15.701 8.615 170 HD23 LEU 24 3HD2 LEU 24 -6.152 16.547 10.071 171 H LYS 25 H LYS 25 -11.333 16.189 11.106 172 HA LYS 25 HA LYS 25 -12.154 15.040 8.552 173 HB2 LYS 25 1HB LYS 25 -13.431 13.699 10.257 174 HB3 LYS 25 2HB LYS 25 -14.141 15.200 10.857 175 HG2 LYS 25 1HG LYS 25 -15.736 14.103 9.420 176 HG3 LYS 25 2HG LYS 25 -15.174 15.572 8.608 177 HD2 LYS 25 1HD LYS 25 -13.573 14.177 7.266 178 HD3 LYS 25 2HD LYS 25 -14.234 12.724 8.035 179 HE2 LYS 25 1HE LYS 25 -15.792 14.729 6.351 180 HE3 LYS 25 2HE LYS 25 -15.210 13.146 5.796 181 HZ1 LYS 25 1HZ LYS 25 -17.154 13.576 7.989 182 HZ2 LYS 25 2HZ LYS 25 -16.611 12.108 7.472 183 HZ3 LYS 25 3HZ LYS 25 -17.525 13.048 6.470 184 H PHE 26 H PHE 26 -12.846 16.598 7.211 185 HA PHE 26 HA PHE 26 -13.794 19.164 8.424 186 HB2 PHE 26 1HB PHE 26 -12.045 18.649 5.997 187 HB3 PHE 26 2HB PHE 26 -12.983 20.135 6.172 188 HD1 PHE 26 HD1 PHE 26 -12.750 21.036 8.842 189 HD2 PHE 26 HD2 PHE 26 -9.741 19.060 6.454 190 HE1 PHE 26 HE1 PHE 26 -10.974 22.071 10.225 191 HE2 PHE 26 HE2 PHE 26 -7.978 20.058 7.883 192 HZ PHE 26 HZ PHE 26 -8.578 21.568 9.756 193 HA PRO 27 HA PRO 27 -17.377 18.172 6.046 194 HB2 PRO 27 1HB PRO 27 -18.549 20.612 5.658 195 HB3 PRO 27 2HB PRO 27 -18.470 19.831 7.267 196 HG2 PRO 27 1HG PRO 27 -16.784 21.947 6.106 197 HG3 PRO 27 2HG PRO 27 -17.513 21.839 7.722 198 HD2 PRO 27 1HD PRO 27 -14.893 21.219 7.188 199 HD3 PRO 27 2HD PRO 27 -15.840 20.449 8.509 200 H ARG 28 H ARG 28 -18.359 18.397 3.883 201 HA ARG 28 HA ARG 28 -16.361 18.512 1.835 202 HB2 ARG 28 1HB ARG 28 -18.436 17.130 1.749 203 HB3 ARG 28 2HB ARG 28 -19.399 18.599 1.591 204 HG2 ARG 28 1HG ARG 28 -17.236 18.141 -0.440 205 HG3 ARG 28 2HG ARG 28 -18.677 17.112 -0.520 206 HD2 ARG 28 1HD ARG 28 -20.121 19.130 -0.602 207 HD3 ARG 28 2HD ARG 28 -18.680 20.158 -0.550 208 HE ARG 28 HE ARG 28 -18.554 18.274 -2.730 209 HH11 ARG 28 1HH1 ARG 28 -19.966 21.383 -1.812 210 HH12 ARG 28 2HH1 ARG 28 -20.113 21.908 -3.468 211 HH21 ARG 28 1HH2 ARG 28 -18.779 19.018 -4.820 212 HH22 ARG 28 2HH2 ARG 28 -19.452 20.595 -5.131 213 H GLY 29 H GLY 29 -15.656 20.125 0.569 214 HA2 GLY 29 1HA GLY 29 -15.734 22.130 -0.625 215 HA3 GLY 29 2HA GLY 29 -17.326 22.472 0.071 216 H GLN 30 H GLN 30 -14.907 21.571 2.344 217 HA GLN 30 HA GLN 30 -14.122 24.354 2.941 218 HB2 GLN 30 1HB GLN 30 -16.382 23.157 4.107 219 HB3 GLN 30 2HB GLN 30 -15.091 22.886 5.277 220 HG2 GLN 30 1HG GLN 30 -14.638 25.317 5.292 221 HG3 GLN 30 2HG GLN 30 -16.019 25.551 4.205 222 HE21 GLN 30 1HE2 GLN 30 -16.570 24.912 8.181 223 HE22 GLN 30 2HE2 GLN 30 -14.980 24.866 7.452 224 H GLY 31 H GLY 31 -12.592 24.281 4.893 225 HA2 GLY 31 1HA GLY 31 -11.236 23.014 6.382 226 HA3 GLY 31 2HA GLY 31 -11.427 21.596 5.356 227 H VAL 32 H VAL 32 -10.790 23.759 3.085 228 HA VAL 32 HA VAL 32 -8.004 23.027 2.875 229 HB VAL 32 HB VAL 32 -9.591 25.242 1.461 230 HG11 VAL 32 1HG1 VAL 32 -7.772 25.042 -0.250 231 HG12 VAL 32 2HG1 VAL 32 -6.870 24.023 0.870 232 HG13 VAL 32 3HG1 VAL 32 -7.237 25.717 1.279 233 HG21 VAL 32 1HG2 VAL 32 -9.688 23.657 -0.436 234 HG22 VAL 32 2HG2 VAL 32 -10.523 23.020 0.996 235 HG23 VAL 32 3HG2 VAL 32 -8.904 22.417 0.560 236 HA PRO 33 HA PRO 33 -6.721 26.275 5.645 237 HB2 PRO 33 1HB PRO 33 -4.024 26.016 5.381 238 HB3 PRO 33 2HB PRO 33 -5.034 24.820 6.247 239 HG2 PRO 33 1HG PRO 33 -3.971 24.725 3.481 240 HG3 PRO 33 2HG PRO 33 -3.987 23.460 4.732 241 HD2 PRO 33 1HD PRO 33 -5.772 23.529 2.741 242 HD3 PRO 33 2HD PRO 33 -6.156 22.890 4.368 243 H ILE 34 H ILE 34 -5.272 28.261 5.562 244 HA ILE 34 HA ILE 34 -5.882 29.673 3.097 245 HB ILE 34 HB ILE 34 -4.176 30.500 5.479 246 HG12 ILE 34 1HG1 ILE 34 -6.979 31.300 4.627 247 HG13 ILE 34 2HG1 ILE 34 -6.607 30.120 5.883 248 HG21 ILE 34 1HG2 ILE 34 -4.259 32.787 4.540 249 HG22 ILE 34 2HG2 ILE 34 -5.211 32.206 3.147 250 HG23 ILE 34 3HG2 ILE 34 -3.521 31.701 3.360 251 HD11 ILE 34 1HD1 ILE 34 -7.136 32.187 6.927 252 HD12 ILE 34 2HD1 ILE 34 -5.967 33.060 5.920 253 HD13 ILE 34 3HD1 ILE 34 -5.402 31.885 7.132 254 H ASN 35 H ASN 35 -4.909 29.152 1.365 255 HA ASN 35 HA ASN 35 -2.080 28.311 1.458 256 HB2 ASN 35 1HB ASN 35 -4.114 28.163 -0.772 257 HB3 ASN 35 2HB ASN 35 -2.450 27.600 -0.879 258 HD21 ASN 35 1HD2 ASN 35 -4.724 24.754 -0.096 259 HD22 ASN 35 2HD2 ASN 35 -4.701 25.988 -1.329 260 H THR 36 H THR 36 -1.132 30.303 1.826 261 HA THR 36 HA THR 36 -1.619 32.648 0.247 262 HB THR 36 HB THR 36 0.526 33.428 1.247 263 HG1 THR 36 HG1 THR 36 1.746 31.985 2.443 264 HG21 THR 36 1HG2 THR 36 -0.111 33.287 3.566 265 HG22 THR 36 2HG2 THR 36 -1.052 31.808 3.274 266 HG23 THR 36 3HG2 THR 36 -1.606 33.366 2.609 267 H ASN 37 H ASN 37 0.037 29.783 -0.437 268 HA ASN 37 HA ASN 37 1.738 31.062 -2.528 269 HB2 ASN 37 1HB ASN 37 3.067 28.987 -2.432 270 HB3 ASN 37 2HB ASN 37 2.937 29.728 -0.832 271 HD21 ASN 37 1HD2 ASN 37 1.238 27.056 0.646 272 HD22 ASN 37 2HD2 ASN 37 1.818 28.700 0.796 273 H SER 38 H SER 38 -1.272 30.285 -2.698 274 HA SER 38 HA SER 38 -0.948 28.675 -5.176 275 HB2 SER 38 1HB SER 38 -3.045 27.981 -3.116 276 HB3 SER 38 2HB SER 38 -2.474 27.019 -4.481 277 HG SER 38 HG SER 38 -0.346 27.257 -3.243 278 H SER 39 H SER 39 -2.582 28.827 -6.711 279 HA SER 39 HA SER 39 -4.180 31.284 -6.679 280 HB2 SER 39 1HB SER 39 -4.504 29.001 -8.637 281 HB3 SER 39 2HB SER 39 -4.578 30.750 -8.941 282 HG SER 39 HG SER 39 -2.377 29.027 -8.710 283 HA PRO 40 HA PRO 40 -7.845 29.498 -5.133 284 HB2 PRO 40 1HB PRO 40 -9.928 30.068 -6.811 285 HB3 PRO 40 2HB PRO 40 -9.127 31.300 -5.779 286 HG2 PRO 40 1HG PRO 40 -8.604 30.672 -8.670 287 HG3 PRO 40 2HG PRO 40 -8.965 32.254 -7.906 288 HD2 PRO 40 1HD PRO 40 -6.431 31.526 -8.402 289 HD3 PRO 40 2HD PRO 40 -6.848 32.363 -6.865 290 H ASP 41 H ASP 41 -7.138 28.838 -8.514 291 HA ASP 41 HA ASP 41 -8.620 26.458 -8.939 292 HB2 ASP 41 1HB ASP 41 -5.853 27.245 -9.944 293 HB3 ASP 41 2HB ASP 41 -6.953 26.098 -10.715 294 H ASP 42 H ASP 42 -5.796 27.106 -7.045 295 HA ASP 42 HA ASP 42 -4.827 24.317 -7.166 296 HB2 ASP 42 1HB ASP 42 -3.677 26.826 -5.970 297 HB3 ASP 42 2HB ASP 42 -2.845 25.270 -6.034 298 H GLN 43 H GLN 43 -6.937 26.014 -5.222 299 HA GLN 43 HA GLN 43 -5.981 25.465 -2.605 300 HB2 GLN 43 1HB GLN 43 -8.812 25.742 -3.658 301 HB3 GLN 43 2HB GLN 43 -8.366 25.800 -1.960 302 HG2 GLN 43 1HG GLN 43 -7.540 27.737 -4.106 303 HG3 GLN 43 2HG GLN 43 -8.663 28.051 -2.787 304 HE21 GLN 43 1HE2 GLN 43 -4.780 28.787 -2.380 305 HE22 GLN 43 2HE2 GLN 43 -5.616 28.539 -3.892 306 H ILE 44 H ILE 44 -7.524 23.328 -4.875 307 HA ILE 44 HA ILE 44 -8.633 21.449 -3.092 308 HB ILE 44 HB ILE 44 -9.097 21.602 -5.500 309 HG12 ILE 44 1HG1 ILE 44 -8.103 18.817 -5.017 310 HG13 ILE 44 2HG1 ILE 44 -9.373 19.510 -4.003 311 HG21 ILE 44 1HG2 ILE 44 -7.468 20.481 -7.124 312 HG22 ILE 44 2HG2 ILE 44 -6.246 20.593 -5.860 313 HG23 ILE 44 3HG2 ILE 44 -6.988 22.071 -6.517 314 HD11 ILE 44 1HD1 ILE 44 -10.398 18.264 -5.824 315 HD12 ILE 44 2HD1 ILE 44 -9.487 19.198 -7.021 316 HD13 ILE 44 3HD1 ILE 44 -10.731 19.995 -6.034 317 H GLY 45 H GLY 45 -7.927 19.674 -1.996 318 HA2 GLY 45 1HA GLY 45 -5.417 18.408 -2.440 319 HA3 GLY 45 2HA GLY 45 -5.212 19.636 -1.183 320 H TYR 46 H TYR 46 -4.663 17.857 0.226 321 HA TYR 46 HA TYR 46 -7.063 16.904 1.611 322 HB2 TYR 46 1HB TYR 46 -6.535 14.563 1.468 323 HB3 TYR 46 2HB TYR 46 -6.642 15.191 -0.162 324 HD1 TYR 46 HD1 TYR 46 -4.625 15.322 -1.585 325 HD2 TYR 46 HD2 TYR 46 -4.471 13.859 2.459 326 HE1 TYR 46 HE1 TYR 46 -2.386 14.319 -2.052 327 HE2 TYR 46 HE2 TYR 46 -2.220 12.852 1.969 328 HH TYR 46 HH TYR 46 -0.568 12.530 0.441 329 H TYR 47 H TYR 47 -6.363 15.718 3.675 330 HA TYR 47 HA TYR 47 -3.712 16.830 4.550 331 HB2 TYR 47 1HB TYR 47 -6.167 16.138 6.139 332 HB3 TYR 47 2HB TYR 47 -4.598 16.395 6.862 333 HD1 TYR 47 HD1 TYR 47 -7.067 18.231 4.623 334 HD2 TYR 47 HD2 TYR 47 -3.983 18.493 7.623 335 HE1 TYR 47 HE1 TYR 47 -7.527 20.651 4.905 336 HE2 TYR 47 HE2 TYR 47 -4.462 20.916 7.874 337 HH TYR 47 HH TYR 47 -7.094 22.542 6.123 338 H ARG 48 H ARG 48 -2.258 15.498 5.441 339 HA ARG 48 HA ARG 48 -2.765 12.565 5.086 340 HB2 ARG 48 1HB ARG 48 -1.226 13.776 3.480 341 HB3 ARG 48 2HB ARG 48 -0.162 14.130 4.832 342 HG2 ARG 48 1HG ARG 48 0.347 11.813 5.150 343 HG3 ARG 48 2HG ARG 48 -0.943 11.320 4.037 344 HD2 ARG 48 1HD ARG 48 0.219 12.512 2.191 345 HD3 ARG 48 2HD ARG 48 1.548 12.897 3.294 346 HE ARG 48 HE ARG 48 0.856 10.248 2.160 347 HH11 ARG 48 1HH1 ARG 48 2.999 12.079 4.287 348 HH12 ARG 48 2HH1 ARG 48 4.187 10.805 4.336 349 HH21 ARG 48 1HH2 ARG 48 2.402 8.660 2.293 350 HH22 ARG 48 2HH2 ARG 48 3.853 8.907 3.222 351 H ARG 49 H ARG 49 -2.737 11.425 6.910 352 HA ARG 49 HA ARG 49 -1.742 12.514 9.405 353 HB2 ARG 49 1HB ARG 49 -3.583 10.805 9.056 354 HB3 ARG 49 2HB ARG 49 -2.328 9.620 8.718 355 HG2 ARG 49 1HG ARG 49 -1.462 9.806 10.979 356 HG3 ARG 49 2HG ARG 49 -2.523 11.188 11.327 357 HD2 ARG 49 1HD ARG 49 -3.410 9.080 12.293 358 HD3 ARG 49 2HD ARG 49 -4.499 9.769 11.076 359 HE ARG 49 HE ARG 49 -2.729 7.953 9.822 360 HH11 ARG 49 1HH1 ARG 49 -5.593 7.896 11.901 361 HH12 ARG 49 2HH1 ARG 49 -6.051 6.311 11.326 362 HH21 ARG 49 1HH2 ARG 49 -3.371 5.949 9.191 363 HH22 ARG 49 2HH2 ARG 49 -4.838 5.242 9.799 364 H ALA 50 H ALA 50 0.127 12.052 10.540 365 HA ALA 50 HA ALA 50 2.108 10.199 9.327 366 HB1 ALA 50 1HB ALA 50 2.632 12.404 8.363 367 HB2 ALA 50 2HB ALA 50 3.881 11.944 9.547 368 HB3 ALA 50 3HB ALA 50 2.625 13.127 9.988 369 H THR 51 H THR 51 3.401 9.210 10.825 370 HA THR 51 HA THR 51 3.451 10.180 13.640 371 HB THR 51 HB THR 51 3.123 7.766 14.391 372 HG1 THR 51 HG1 THR 51 3.504 6.951 12.184 373 HG21 THR 51 1HG2 THR 51 0.696 7.716 14.202 374 HG22 THR 51 2HG2 THR 51 0.744 8.917 12.894 375 HG23 THR 51 3HG2 THR 51 1.253 9.368 14.540 376 H ARG 52 H ARG 52 5.360 9.409 14.758 377 HA ARG 52 HA ARG 52 7.118 7.558 13.269 378 HB2 ARG 52 1HB ARG 52 7.538 10.095 12.663 379 HB3 ARG 52 2HB ARG 52 8.331 10.145 14.238 380 HG2 ARG 52 1HG ARG 52 10.059 9.732 12.683 381 HG3 ARG 52 2HG ARG 52 9.735 8.145 13.408 382 HD2 ARG 52 1HD ARG 52 8.319 7.544 11.471 383 HD3 ARG 52 2HD ARG 52 8.589 9.150 10.768 384 HE ARG 52 HE ARG 52 11.120 7.973 11.214 385 HH11 ARG 52 1HH1 ARG 52 8.317 7.424 9.139 386 HH12 ARG 52 2HH1 ARG 52 9.276 6.696 7.878 387 HH21 ARG 52 1HH2 ARG 52 12.282 7.046 9.552 388 HH22 ARG 52 2HH2 ARG 52 11.477 6.492 8.111 389 H ARG 53 H ARG 53 8.154 6.180 14.653 390 HA ARG 53 HA ARG 53 8.730 7.107 17.404 391 HB2 ARG 53 1HB ARG 53 6.422 6.035 17.381 392 HB3 ARG 53 2HB ARG 53 7.190 4.532 16.856 393 HG2 ARG 53 1HG ARG 53 8.410 5.718 19.274 394 HG3 ARG 53 2HG ARG 53 6.707 5.293 19.475 395 HD2 ARG 53 1HD ARG 53 8.717 3.337 18.328 396 HD3 ARG 53 2HD ARG 53 8.456 3.504 20.070 397 HE ARG 53 HE ARG 53 6.617 2.326 18.103 398 HH11 ARG 53 1HH1 ARG 53 6.962 3.495 21.427 399 HH12 ARG 53 2HH1 ARG 53 5.569 2.603 21.975 400 HH21 ARG 53 1HH2 ARG 53 4.851 1.225 18.889 401 HH22 ARG 53 2HH2 ARG 53 4.402 1.348 20.567 402 H ILE 54 H ILE 54 10.438 6.282 18.279 403 HA ILE 54 HA ILE 54 11.844 4.078 16.856 404 HB ILE 54 HB ILE 54 13.901 5.222 16.855 405 HG12 ILE 54 1HG1 ILE 54 14.074 6.176 19.020 406 HG13 ILE 54 2HG1 ILE 54 14.341 7.450 17.848 407 HG21 ILE 54 1HG2 ILE 54 13.588 7.214 15.502 408 HG22 ILE 54 2HG2 ILE 54 11.924 7.403 16.094 409 HG23 ILE 54 3HG2 ILE 54 12.356 6.006 15.080 410 HD11 ILE 54 1HD1 ILE 54 13.040 8.510 19.446 411 HD12 ILE 54 2HD1 ILE 54 12.048 7.074 19.758 412 HD13 ILE 54 3HD1 ILE 54 11.801 8.014 18.275 413 H ARG 55 H ARG 55 13.830 3.488 18.465 414 HA ARG 55 HA ARG 55 12.720 3.504 21.254 415 HB2 ARG 55 1HB ARG 55 12.829 1.224 20.184 416 HB3 ARG 55 2HB ARG 55 14.569 1.449 19.973 417 HG2 ARG 55 1HG ARG 55 14.208 1.988 22.679 418 HG3 ARG 55 2HG ARG 55 13.043 0.686 22.377 419 HD2 ARG 55 1HD ARG 55 14.840 -0.703 21.410 420 HD3 ARG 55 2HD ARG 55 15.993 0.625 21.626 421 HE ARG 55 HE ARG 55 15.930 0.325 23.989 422 HH11 ARG 55 1HH1 ARG 55 14.068 -2.184 22.322 423 HH12 ARG 55 2HH1 ARG 55 14.058 -3.223 23.721 424 HH21 ARG 55 1HH2 ARG 55 15.862 -1.057 25.719 425 HH22 ARG 55 2HH2 ARG 55 15.068 -2.603 25.596 426 H GLY 56 H GLY 56 13.758 5.325 22.034 427 HA2 GLY 56 1HA GLY 56 16.593 5.771 21.469 428 HA3 GLY 56 2HA GLY 56 15.572 6.680 22.617 429 H GLY 57 H GLY 57 18.271 5.654 23.220 430 HA2 GLY 57 1HA GLY 57 18.061 3.194 24.665 431 HA3 GLY 57 2HA GLY 57 19.330 4.415 24.871 432 H ASP 58 H ASP 58 17.748 6.596 25.656 433 HA ASP 58 HA ASP 58 17.157 5.874 28.446 434 HB2 ASP 58 1HB ASP 58 18.435 7.932 27.668 435 HB3 ASP 58 2HB ASP 58 16.902 8.554 27.046 436 H GLY 59 H GLY 59 15.488 6.071 25.518 437 HA2 GLY 59 1HA GLY 59 13.229 5.272 25.374 438 HA3 GLY 59 2HA GLY 59 12.889 5.988 26.954 439 H LYS 60 H LYS 60 14.733 8.061 25.016 440 HA LYS 60 HA LYS 60 12.714 10.029 24.898 441 HB2 LYS 60 1HB LYS 60 15.108 9.884 23.034 442 HB3 LYS 60 2HB LYS 60 14.216 11.319 23.542 443 HG2 LYS 60 1HG LYS 60 16.118 9.626 25.197 444 HG3 LYS 60 2HG LYS 60 16.321 11.305 24.684 445 HD2 LYS 60 1HD LYS 60 14.217 11.810 26.104 446 HD3 LYS 60 2HD LYS 60 14.450 10.176 26.786 447 HE2 LYS 60 1HE LYS 60 16.801 10.819 27.350 448 HE3 LYS 60 2HE LYS 60 16.434 12.483 26.838 449 HZ1 LYS 60 1HZ LYS 60 16.137 12.373 29.176 450 HZ2 LYS 60 2HZ LYS 60 15.280 10.966 29.108 451 HZ3 LYS 60 3HZ LYS 60 14.601 12.381 28.568 452 H MET 61 H MET 61 11.210 10.504 23.536 453 HA MET 61 HA MET 61 10.586 8.682 21.319 454 HB2 MET 61 1HB MET 61 9.175 11.062 22.573 455 HB3 MET 61 2HB MET 61 8.529 10.174 21.192 456 HG2 MET 61 1HG MET 61 9.156 8.944 23.895 457 HG3 MET 61 2HG MET 61 7.549 9.463 23.360 458 HE1 MET 61 1HE MET 61 7.347 8.275 20.165 459 HE2 MET 61 2HE MET 61 6.250 8.586 21.532 460 HE3 MET 61 3HE MET 61 6.370 6.953 20.846 461 H LYS 62 H LYS 62 9.780 9.640 19.248 462 HA LYS 62 HA LYS 62 11.536 11.909 18.382 463 HB2 LYS 62 1HB LYS 62 12.057 9.905 17.158 464 HB3 LYS 62 2HB LYS 62 10.359 9.543 16.873 465 HG2 LYS 62 1HG LYS 62 11.548 10.371 14.844 466 HG3 LYS 62 2HG LYS 62 10.155 11.359 15.290 467 HD2 LYS 62 1HD LYS 62 11.947 12.824 14.618 468 HD3 LYS 62 2HD LYS 62 11.671 13.017 16.346 469 HE2 LYS 62 1HE LYS 62 13.626 11.529 16.807 470 HE3 LYS 62 2HE LYS 62 13.932 11.444 15.055 471 HZ1 LYS 62 1HZ LYS 62 15.262 13.178 16.122 472 HZ2 LYS 62 2HZ LYS 62 13.906 13.933 16.682 473 HZ3 LYS 62 3HZ LYS 62 14.200 13.861 15.060 474 H ASP 63 H ASP 63 8.283 10.538 18.288 475 HA ASP 63 HA ASP 63 7.182 13.243 17.892 476 HB2 ASP 63 1HB ASP 63 7.359 11.728 15.700 477 HB3 ASP 63 2HB ASP 63 5.959 10.915 16.420 478 H LEU 64 H LEU 64 4.776 13.112 18.493 479 HA LEU 64 HA LEU 64 4.437 11.030 20.634 480 HB2 LEU 64 1HB LEU 64 3.718 13.984 20.681 481 HB3 LEU 64 2HB LEU 64 3.116 12.814 21.840 482 HG LEU 64 HG LEU 64 4.766 14.000 22.948 483 HD11 LEU 64 1HD1 LEU 64 6.446 12.368 23.552 484 HD12 LEU 64 2HD1 LEU 64 6.179 11.465 22.043 485 HD13 LEU 64 3HD1 LEU 64 4.898 11.544 23.279 486 HD21 LEU 64 1HD2 LEU 64 7.001 14.470 22.212 487 HD22 LEU 64 2HD2 LEU 64 5.877 15.007 20.948 488 HD23 LEU 64 3HD2 LEU 64 6.790 13.494 20.744 489 H SER 65 H SER 65 2.061 13.512 19.898 490 HA SER 65 HA SER 65 0.002 11.546 19.440 491 HB2 SER 65 1HB SER 65 -0.789 14.132 18.541 492 HB3 SER 65 2HB SER 65 -1.171 13.359 20.096 493 HG SER 65 HG SER 65 -0.026 15.418 20.226 494 HA PRO 66 HA PRO 66 0.454 11.307 15.090 495 HB2 PRO 66 1HB PRO 66 -2.082 11.235 14.051 496 HB3 PRO 66 2HB PRO 66 -1.381 9.858 14.962 497 HG2 PRO 66 1HG PRO 66 -3.197 12.049 15.955 498 HG3 PRO 66 2HG PRO 66 -3.358 10.274 16.156 499 HD2 PRO 66 1HD PRO 66 -2.298 11.821 18.100 500 HD3 PRO 66 2HD PRO 66 -1.635 10.185 17.754 501 H ARG 67 H ARG 67 0.842 12.735 13.451 502 HA ARG 67 HA ARG 67 -0.287 15.463 13.793 503 HB2 ARG 67 1HB ARG 67 2.060 14.466 12.144 504 HB3 ARG 67 2HB ARG 67 1.597 16.147 12.421 505 HG2 ARG 67 1HG ARG 67 1.968 15.686 14.899 506 HG3 ARG 67 2HG ARG 67 2.768 14.180 14.378 507 HD2 ARG 67 1HD ARG 67 4.219 15.530 12.889 508 HD3 ARG 67 2HD ARG 67 3.432 16.981 13.522 509 HE ARG 67 HE ARG 67 4.729 15.107 15.425 510 HH11 ARG 67 1HH1 ARG 67 4.838 18.300 13.868 511 HH12 ARG 67 2HH1 ARG 67 6.005 18.906 15.012 512 HH21 ARG 67 1HH2 ARG 67 6.200 15.927 16.778 513 HH22 ARG 67 2HH2 ARG 67 6.771 17.578 16.639 514 H TRP 68 H TRP 68 -1.000 16.609 11.938 515 HA TRP 68 HA TRP 68 -1.519 14.906 9.527 516 HB2 TRP 68 1HB TRP 68 -3.382 16.805 10.969 517 HB3 TRP 68 2HB TRP 68 -3.608 16.367 9.269 518 HD1 TRP 68 HD1 TRP 68 -3.648 14.725 12.780 519 HE1 TRP 68 HE1 TRP 68 -5.014 12.576 12.721 520 HE3 TRP 68 HE3 TRP 68 -4.454 14.537 7.737 521 HZ2 TRP 68 HZ2 TRP 68 -6.241 10.944 10.726 522 HZ3 TRP 68 HZ3 TRP 68 -5.804 12.656 6.802 523 HH2 TRP 68 HH2 TRP 68 -6.695 10.883 8.304 524 H TYR 69 H TYR 69 -0.666 15.734 7.756 525 HA TYR 69 HA TYR 69 0.274 18.597 7.806 526 HB2 TYR 69 1HB TYR 69 1.220 16.105 6.329 527 HB3 TYR 69 2HB TYR 69 1.784 17.729 5.958 528 HD1 TYR 69 HD1 TYR 69 3.505 18.796 7.268 529 HD2 TYR 69 HD2 TYR 69 1.762 15.106 8.635 530 HE1 TYR 69 HE1 TYR 69 5.322 18.562 8.956 531 HE2 TYR 69 HE2 TYR 69 3.578 14.912 10.352 532 HH TYR 69 HH TYR 69 5.480 15.792 11.207 533 H PHE 70 H PHE 70 0.039 19.700 5.609 534 HA PHE 70 HA PHE 70 -2.412 18.669 4.253 535 HB2 PHE 70 1HB PHE 70 -2.609 20.941 5.145 536 HB3 PHE 70 2HB PHE 70 -1.177 21.433 4.233 537 HD1 PHE 70 HD1 PHE 70 -1.411 22.271 2.029 538 HD2 PHE 70 HD2 PHE 70 -4.608 19.986 3.769 539 HE1 PHE 70 HE1 PHE 70 -2.852 22.801 0.068 540 HE2 PHE 70 HE2 PHE 70 -6.041 20.485 1.798 541 HZ PHE 70 HZ PHE 70 -5.173 21.908 -0.055 542 H TYR 71 H TYR 71 -2.359 18.057 2.201 543 HA TYR 71 HA TYR 71 0.178 18.433 0.654 544 HB2 TYR 71 1HB TYR 71 -1.148 16.008 1.684 545 HB3 TYR 71 2HB TYR 71 -0.844 15.959 -0.062 546 HD1 TYR 71 HD1 TYR 71 1.139 17.197 2.931 547 HD2 TYR 71 HD2 TYR 71 1.052 14.700 -0.573 548 HE1 TYR 71 HE1 TYR 71 3.510 16.569 3.325 549 HE2 TYR 71 HE2 TYR 71 3.421 14.050 -0.156 550 HH TYR 71 HH TYR 71 5.378 15.402 2.457 551 H TYR 72 H TYR 72 -0.198 18.622 -1.582 552 HA TYR 72 HA TYR 72 -2.925 19.506 -2.220 553 HB2 TYR 72 1HB TYR 72 -0.287 19.676 -3.694 554 HB3 TYR 72 2HB TYR 72 -1.831 20.217 -4.364 555 HD1 TYR 72 HD1 TYR 72 -2.717 22.357 -3.872 556 HD2 TYR 72 HD2 TYR 72 0.482 20.795 -1.441 557 HE1 TYR 72 HE1 TYR 72 -2.483 24.564 -2.744 558 HE2 TYR 72 HE2 TYR 72 0.675 23.007 -0.297 559 HH TYR 72 HH TYR 72 -1.151 25.847 -1.347 560 H LEU 73 H LEU 73 -3.921 18.883 -4.311 561 HA LEU 73 HA LEU 73 -4.401 16.121 -4.423 562 HB2 LEU 73 1HB LEU 73 -5.428 18.362 -5.598 563 HB3 LEU 73 2HB LEU 73 -4.603 17.650 -6.969 564 HG LEU 73 HG LEU 73 -6.924 16.523 -5.394 565 HD11 LEU 73 1HD1 LEU 73 -8.072 16.673 -7.509 566 HD12 LEU 73 2HD1 LEU 73 -6.566 17.075 -8.359 567 HD13 LEU 73 3HD1 LEU 73 -7.276 18.224 -7.211 568 HD21 LEU 73 1HD2 LEU 73 -6.861 14.610 -7.038 569 HD22 LEU 73 2HD2 LEU 73 -5.609 14.571 -5.794 570 HD23 LEU 73 3HD2 LEU 73 -5.207 15.097 -7.450 571 H GLY 74 H GLY 74 -3.412 14.382 -5.357 572 HA2 GLY 74 1HA GLY 74 -2.062 13.169 -6.753 573 HA3 GLY 74 2HA GLY 74 -1.890 14.601 -7.764 574 H THR 75 H THR 75 -0.834 14.637 -4.368 575 HA THR 75 HA THR 75 1.964 14.708 -5.417 576 HB THR 75 HB THR 75 2.540 15.968 -3.352 577 HG1 THR 75 HG1 THR 75 -0.268 16.228 -2.946 578 HG21 THR 75 1HG2 THR 75 1.364 18.073 -3.933 579 HG22 THR 75 2HG2 THR 75 0.289 17.161 -5.010 580 HG23 THR 75 3HG2 THR 75 2.033 17.239 -5.346 581 H GLY 76 H GLY 76 3.631 13.792 -4.162 582 HA2 GLY 76 1HA GLY 76 4.321 12.404 -2.285 583 HA3 GLY 76 2HA GLY 76 2.747 11.590 -2.334 584 HA PRO 77 HA PRO 77 6.035 9.973 -5.450 585 HB2 PRO 77 1HB PRO 77 7.395 7.987 -4.139 586 HB3 PRO 77 2HB PRO 77 7.875 9.703 -4.087 587 HG2 PRO 77 1HG PRO 77 6.262 8.168 -2.075 588 HG3 PRO 77 2HG PRO 77 7.701 9.203 -1.813 589 HD2 PRO 77 1HD PRO 77 5.201 10.152 -1.435 590 HD3 PRO 77 2HD PRO 77 6.491 11.178 -2.152 591 H GLU 78 H GLU 78 4.458 7.909 -3.035 592 HA GLU 78 HA GLU 78 3.676 6.009 -5.218 593 HB2 GLU 78 1HB GLU 78 3.676 4.259 -3.497 594 HB3 GLU 78 2HB GLU 78 5.255 5.046 -3.612 595 HG2 GLU 78 1HG GLU 78 4.571 6.487 -1.627 596 HG3 GLU 78 2HG GLU 78 3.172 5.422 -1.437 597 H ALA 79 H ALA 79 2.376 8.529 -4.194 598 HA ALA 79 HA ALA 79 0.189 7.760 -2.512 599 HB1 ALA 79 1HB ALA 79 0.890 10.085 -2.664 600 HB2 ALA 79 2HB ALA 79 -0.790 9.952 -3.216 601 HB3 ALA 79 3HB ALA 79 0.524 10.131 -4.403 602 H GLY 80 H GLY 80 0.282 8.434 -6.061 603 HA2 GLY 80 1HA GLY 80 -1.173 7.778 -7.738 604 HA3 GLY 80 2HA GLY 80 -1.407 6.297 -6.787 605 H LEU 81 H LEU 81 -2.218 9.600 -5.734 606 HA LEU 81 HA LEU 81 -4.954 8.611 -5.261 607 HB2 LEU 81 1HB LEU 81 -3.167 10.656 -3.965 608 HB3 LEU 81 2HB LEU 81 -4.888 10.680 -3.724 609 HG LEU 81 HG LEU 81 -3.070 8.418 -2.928 610 HD11 LEU 81 1HD1 LEU 81 -4.516 10.544 -1.308 611 HD12 LEU 81 2HD1 LEU 81 -2.763 10.438 -1.578 612 HD13 LEU 81 3HD1 LEU 81 -3.593 9.186 -0.632 613 HD21 LEU 81 1HD2 LEU 81 -5.040 7.506 -1.763 614 HD22 LEU 81 2HD2 LEU 81 -5.325 7.593 -3.512 615 HD23 LEU 81 3HD2 LEU 81 -6.045 8.805 -2.424 616 HA PRO 82 HA PRO 82 -6.491 11.944 -7.936 617 HB2 PRO 82 1HB PRO 82 -8.765 10.642 -8.646 618 HB3 PRO 82 2HB PRO 82 -7.199 10.256 -9.433 619 HG2 PRO 82 1HG PRO 82 -8.627 8.821 -7.222 620 HG3 PRO 82 2HG PRO 82 -7.810 8.153 -8.655 621 HD2 PRO 82 1HD PRO 82 -6.694 8.235 -6.196 622 HD3 PRO 82 2HD PRO 82 -5.759 8.238 -7.712 623 H TYR 83 H TYR 83 -8.579 13.166 -7.499 624 HA TYR 83 HA TYR 83 -8.869 13.497 -4.697 625 HB2 TYR 83 1HB TYR 83 -9.286 15.217 -6.459 626 HB3 TYR 83 2HB TYR 83 -10.776 14.374 -6.879 627 HD1 TYR 83 HD1 TYR 83 -12.755 14.544 -5.396 628 HD2 TYR 83 HD2 TYR 83 -9.023 16.372 -4.293 629 HE1 TYR 83 HE1 TYR 83 -13.903 15.812 -3.566 630 HE2 TYR 83 HE2 TYR 83 -10.170 17.632 -2.489 631 HH TYR 83 HH TYR 83 -12.118 18.062 -1.427 632 H GLY 84 H GLY 84 -10.198 12.665 -3.209 633 HA2 GLY 84 1HA GLY 84 -12.161 11.694 -2.392 634 HA3 GLY 84 2HA GLY 84 -12.666 11.302 -4.038 635 H ALA 85 H ALA 85 -9.592 10.164 -4.049 636 HA ALA 85 HA ALA 85 -10.432 7.447 -3.825 637 HB1 ALA 85 1HB ALA 85 -8.572 7.904 -5.186 638 HB2 ALA 85 2HB ALA 85 -7.930 6.994 -3.806 639 HB3 ALA 85 3HB ALA 85 -7.713 8.759 -3.888 640 H ASN 86 H ASN 86 -10.538 6.042 -2.205 641 HA ASN 86 HA ASN 86 -10.227 7.044 0.512 642 HB2 ASN 86 1HB ASN 86 -12.057 5.476 -0.255 643 HB3 ASN 86 2HB ASN 86 -10.826 4.216 -0.442 644 HD21 ASN 86 1HD2 ASN 86 -12.401 5.013 3.165 645 HD22 ASN 86 2HD2 ASN 86 -12.956 5.776 1.692 646 H LYS 87 H LYS 87 -8.529 6.814 1.822 647 HA LYS 87 HA LYS 87 -6.730 4.523 1.596 648 HB2 LYS 87 1HB LYS 87 -5.798 6.152 -0.045 649 HB3 LYS 87 2HB LYS 87 -5.702 7.354 1.210 650 HG2 LYS 87 1HG LYS 87 -3.911 6.333 2.292 651 HG3 LYS 87 2HG LYS 87 -4.307 4.720 1.651 652 HD2 LYS 87 1HD LYS 87 -3.285 6.987 -0.062 653 HD3 LYS 87 2HD LYS 87 -2.221 5.810 0.717 654 HE2 LYS 87 1HE LYS 87 -3.440 3.965 -0.479 655 HE3 LYS 87 2HE LYS 87 -4.398 5.183 -1.338 656 HZ1 LYS 87 1HZ LYS 87 -2.373 5.993 -2.380 657 HZ2 LYS 87 2HZ LYS 87 -2.508 4.377 -2.648 658 HZ3 LYS 87 3HZ LYS 87 -1.440 4.930 -1.525 659 H ASP 88 H ASP 88 -5.538 4.353 3.591 660 HA ASP 88 HA ASP 88 -7.040 5.411 5.821 661 HB2 ASP 88 1HB ASP 88 -5.908 3.170 5.792 662 HB3 ASP 88 2HB ASP 88 -4.346 4.007 5.845 663 H GLY 89 H GLY 89 -6.603 7.088 7.163 664 HA2 GLY 89 1HA GLY 89 -5.512 8.936 8.019 665 HA3 GLY 89 2HA GLY 89 -4.010 8.337 7.305 666 H ILE 90 H ILE 90 -6.795 8.868 5.230 667 HA ILE 90 HA ILE 90 -5.585 11.431 4.284 668 HB ILE 90 HB ILE 90 -6.676 9.149 2.532 669 HG12 ILE 90 1HG1 ILE 90 -4.440 8.662 3.425 670 HG13 ILE 90 2HG1 ILE 90 -4.428 8.897 1.687 671 HG21 ILE 90 1HG2 ILE 90 -5.847 10.621 0.621 672 HG22 ILE 90 2HG2 ILE 90 -5.675 11.942 1.800 673 HG23 ILE 90 3HG2 ILE 90 -7.271 11.236 1.477 674 HD11 ILE 90 1HD1 ILE 90 -3.274 10.880 1.801 675 HD12 ILE 90 2HD1 ILE 90 -2.522 9.864 3.048 676 HD13 ILE 90 3HD1 ILE 90 -3.665 11.152 3.515 677 H ILE 91 H ILE 91 -6.961 13.057 4.130 678 HA ILE 91 HA ILE 91 -9.862 12.451 3.717 679 HB ILE 91 HB ILE 91 -10.437 14.383 5.213 680 HG12 ILE 91 1HG1 ILE 91 -8.008 14.272 6.829 681 HG13 ILE 91 2HG1 ILE 91 -7.649 14.812 5.221 682 HG21 ILE 91 1HG2 ILE 91 -10.303 13.161 7.302 683 HG22 ILE 91 2HG2 ILE 91 -8.974 12.147 6.684 684 HG23 ILE 91 3HG2 ILE 91 -10.601 12.005 5.985 685 HD11 ILE 91 1HD1 ILE 91 -8.182 16.712 6.683 686 HD12 ILE 91 2HD1 ILE 91 -9.802 16.040 6.966 687 HD13 ILE 91 3HD1 ILE 91 -9.320 16.577 5.334 688 H TRP 92 H TRP 92 -10.702 13.542 2.032 689 HA TRP 92 HA TRP 92 -8.961 15.492 0.693 690 HB2 TRP 92 1HB TRP 92 -11.567 14.162 -0.092 691 HB3 TRP 92 2HB TRP 92 -10.660 15.285 -1.113 692 HD1 TRP 92 HD1 TRP 92 -10.602 11.710 0.145 693 HE1 TRP 92 HE1 TRP 92 -8.762 10.373 -0.984 694 HE3 TRP 92 HE3 TRP 92 -8.284 15.611 -2.227 695 HZ2 TRP 92 HZ2 TRP 92 -6.544 10.940 -2.650 696 HZ3 TRP 92 HZ3 TRP 92 -6.257 15.135 -3.586 697 HH2 TRP 92 HH2 TRP 92 -5.395 12.810 -3.798 698 H VAL 93 H VAL 93 -9.309 17.593 0.317 699 HA VAL 93 HA VAL 93 -11.904 18.785 1.163 700 HB VAL 93 HB VAL 93 -10.630 20.708 2.204 701 HG11 VAL 93 1HG1 VAL 93 -10.236 19.612 4.349 702 HG12 VAL 93 2HG1 VAL 93 -10.185 18.018 3.562 703 HG13 VAL 93 3HG1 VAL 93 -11.697 18.954 3.587 704 HG21 VAL 93 1HG2 VAL 93 -8.325 20.420 2.907 705 HG22 VAL 93 2HG2 VAL 93 -8.402 20.198 1.147 706 HG23 VAL 93 3HG2 VAL 93 -8.264 18.784 2.218 707 H ALA 94 H ALA 94 -12.352 20.793 0.115 708 HA ALA 94 HA ALA 94 -10.563 21.867 -1.917 709 HB1 ALA 94 1HB ALA 94 -11.508 19.887 -3.156 710 HB2 ALA 94 2HB ALA 94 -12.070 21.431 -3.828 711 HB3 ALA 94 3HB ALA 94 -13.150 20.467 -2.788 712 H THR 95 H THR 95 -11.845 23.772 -2.908 713 HA THR 95 HA THR 95 -14.147 24.596 -1.228 714 HB THR 95 HB THR 95 -12.000 25.577 -0.235 715 HG1 THR 95 HG1 THR 95 -12.918 27.765 -0.312 716 HG21 THR 95 1HG2 THR 95 -11.988 27.287 -2.750 717 HG22 THR 95 2HG2 THR 95 -10.875 25.929 -2.481 718 HG23 THR 95 3HG2 THR 95 -10.842 27.328 -1.391 719 H GLU 96 H GLU 96 -14.904 26.828 -2.349 720 HA GLU 96 HA GLU 96 -15.622 26.068 -5.019 721 HB2 GLU 96 1HB GLU 96 -16.976 27.439 -3.414 722 HB3 GLU 96 2HB GLU 96 -15.864 28.785 -3.680 723 HG2 GLU 96 1HG GLU 96 -16.502 28.943 -5.996 724 HG3 GLU 96 2HG GLU 96 -17.419 27.429 -5.899 725 H GLY 97 H GLY 97 -14.786 26.631 -6.951 726 HA2 GLY 97 1HA GLY 97 -13.601 28.012 -8.458 727 HA3 GLY 97 2HA GLY 97 -12.748 28.764 -7.107 728 H ALA 98 H ALA 98 -12.521 25.634 -6.299 729 HA ALA 98 HA ALA 98 -9.813 25.461 -7.354 730 HB1 ALA 98 1HB ALA 98 -11.374 23.442 -5.722 731 HB2 ALA 98 2HB ALA 98 -10.490 24.826 -5.031 732 HB3 ALA 98 3HB ALA 98 -9.607 23.562 -5.914 733 H LEU 99 H LEU 99 -9.003 24.096 -8.902 734 HA LEU 99 HA LEU 99 -10.977 22.786 -10.675 735 HB2 LEU 99 1HB LEU 99 -7.952 23.061 -10.814 736 HB3 LEU 99 2HB LEU 99 -8.944 22.297 -12.042 737 HG LEU 99 HG LEU 99 -9.020 25.231 -11.310 738 HD11 LEU 99 1HD1 LEU 99 -7.913 25.530 -13.486 739 HD12 LEU 99 2HD1 LEU 99 -7.901 23.766 -13.744 740 HD13 LEU 99 3HD1 LEU 99 -6.937 24.492 -12.435 741 HD21 LEU 99 1HD2 LEU 99 -10.378 25.468 -13.367 742 HD22 LEU 99 2HD2 LEU 99 -11.207 24.511 -12.131 743 HD23 LEU 99 3HD2 LEU 99 -10.445 23.696 -13.522 744 H ASN 100 H ASN 100 -10.770 20.543 -11.289 745 HA ASN 100 HA ASN 100 -9.693 18.879 -9.074 746 HB2 ASN 100 1HB ASN 100 -12.074 18.616 -9.861 747 HB3 ASN 100 2HB ASN 100 -11.441 18.021 -11.401 748 HD21 ASN 100 1HD2 ASN 100 -11.903 14.884 -9.842 749 HD22 ASN 100 2HD2 ASN 100 -12.602 16.060 -10.926 750 H THR 101 H THR 101 -7.497 19.630 -10.059 751 HA THR 101 HA THR 101 -6.617 17.465 -11.902 752 HB THR 101 HB THR 101 -7.054 19.931 -12.966 753 HG1 THR 101 HG1 THR 101 -5.508 19.310 -14.545 754 HG21 THR 101 1HG2 THR 101 -5.017 21.192 -13.179 755 HG22 THR 101 2HG2 THR 101 -4.118 20.002 -12.207 756 HG23 THR 101 3HG2 THR 101 -5.389 21.006 -11.455 757 HA PRO 102 HA PRO 102 -3.467 17.146 -8.863 758 HB2 PRO 102 1HB PRO 102 -1.241 16.399 -10.268 759 HB3 PRO 102 2HB PRO 102 -2.639 15.302 -10.012 760 HG2 PRO 102 1HG PRO 102 -2.008 17.055 -12.374 761 HG3 PRO 102 2HG PRO 102 -2.424 15.310 -12.343 762 HD2 PRO 102 1HD PRO 102 -4.280 17.155 -12.879 763 HD3 PRO 102 2HD PRO 102 -4.675 15.742 -11.844 764 H LYS 103 H LYS 103 -1.669 18.122 -7.888 765 HA LYS 103 HA LYS 103 -0.593 20.563 -9.255 766 HB2 LYS 103 1HB LYS 103 -1.334 20.254 -6.336 767 HB3 LYS 103 2HB LYS 103 -0.771 21.714 -7.124 768 HG2 LYS 103 1HG LYS 103 -3.408 20.331 -7.665 769 HG3 LYS 103 2HG LYS 103 -3.201 21.728 -6.614 770 HD2 LYS 103 1HD LYS 103 -2.520 23.118 -8.465 771 HD3 LYS 103 2HD LYS 103 -2.507 21.737 -9.576 772 HE2 LYS 103 1HE LYS 103 -4.896 21.436 -9.343 773 HE3 LYS 103 2HE LYS 103 -4.971 22.665 -8.075 774 HZ1 LYS 103 1HZ LYS 103 -5.652 23.651 -10.105 775 HZ2 LYS 103 2HZ LYS 103 -4.303 23.135 -10.913 776 HZ3 LYS 103 3HZ LYS 103 -4.174 24.284 -9.733 777 H ASP 104 H ASP 104 0.870 18.382 -9.553 778 HA ASP 104 HA ASP 104 2.449 17.501 -7.365 779 HB2 ASP 104 1HB ASP 104 3.898 16.514 -9.020 780 HB3 ASP 104 2HB ASP 104 2.219 16.323 -9.551 781 H HIS 105 H HIS 105 2.874 20.163 -9.650 782 HA HIS 105 HA HIS 105 5.556 20.823 -8.945 783 HB2 HIS 105 1HB HIS 105 5.150 22.880 -10.140 784 HB3 HIS 105 2HB HIS 105 4.365 21.549 -11.000 785 HD1 HIS 105 HD1 HIS 105 3.668 24.870 -9.555 786 HD2 HIS 105 HD2 HIS 105 1.484 21.467 -10.548 787 HE1 HIS 105 HE1 HIS 105 1.235 25.564 -9.694 788 H ILE 106 H ILE 106 2.638 21.279 -7.146 789 HA ILE 106 HA ILE 106 3.800 23.540 -5.634 790 HB ILE 106 HB ILE 106 1.142 22.080 -5.174 791 HG12 ILE 106 1HG1 ILE 106 1.830 24.566 -6.793 792 HG13 ILE 106 2HG1 ILE 106 1.192 23.044 -7.400 793 HG21 ILE 106 1HG2 ILE 106 0.574 24.122 -3.865 794 HG22 ILE 106 2HG2 ILE 106 2.176 24.808 -4.201 795 HG23 ILE 106 3HG2 ILE 106 2.010 23.349 -3.198 796 HD11 ILE 106 1HD1 ILE 106 -0.642 24.488 -7.406 797 HD12 ILE 106 2HD1 ILE 106 -0.255 25.155 -5.803 798 HD13 ILE 106 3HD1 ILE 106 -0.880 23.490 -5.954 799 H GLY 107 H GLY 107 3.079 20.056 -5.317 800 HA2 GLY 107 1HA GLY 107 3.767 19.989 -2.505 801 HA3 GLY 107 2HA GLY 107 3.502 18.605 -3.560 802 H THR 108 H THR 108 5.853 20.505 -4.995 803 HA THR 108 HA THR 108 7.947 18.640 -4.072 804 HB THR 108 HB THR 108 7.454 19.081 -6.523 805 HG1 THR 108 HG1 THR 108 9.733 19.243 -7.017 806 HG21 THR 108 1HG2 THR 108 7.260 21.632 -6.194 807 HG22 THR 108 2HG2 THR 108 8.166 21.057 -7.603 808 HG23 THR 108 3HG2 THR 108 9.036 21.641 -6.169 809 H ARG 109 H ARG 109 6.908 20.956 -2.395 810 HA ARG 109 HA ARG 109 8.829 23.042 -2.274 811 HB2 ARG 109 1HB ARG 109 6.585 22.907 -1.086 812 HB3 ARG 109 2HB ARG 109 7.353 21.825 0.083 813 HG2 ARG 109 1HG ARG 109 9.033 23.681 0.545 814 HG3 ARG 109 2HG ARG 109 8.031 24.727 -0.477 815 HD2 ARG 109 1HD ARG 109 7.281 25.155 1.702 816 HD3 ARG 109 2HD ARG 109 6.094 24.069 1.007 817 HE ARG 109 HE ARG 109 6.632 22.435 2.531 818 HH11 ARG 109 1HH1 ARG 109 9.162 24.897 2.718 819 HH12 ARG 109 2HH1 ARG 109 9.869 24.177 4.141 820 HH21 ARG 109 1HH2 ARG 109 7.521 21.659 4.369 821 HH22 ARG 109 2HH2 ARG 109 8.956 22.380 5.058 822 H ASN 110 H ASN 110 10.846 23.193 -1.484 823 HA ASN 110 HA ASN 110 12.022 20.766 -0.208 824 HB2 ASN 110 1HB ASN 110 13.135 23.046 -1.850 825 HB3 ASN 110 2HB ASN 110 14.191 22.127 -0.777 826 HD21 ASN 110 1HD2 ASN 110 14.357 20.579 -4.121 827 HD22 ASN 110 2HD2 ASN 110 14.731 22.137 -3.433 828 HA PRO 111 HA PRO 111 11.754 23.415 3.374 829 HB2 PRO 111 1HB PRO 111 12.914 21.811 5.252 830 HB3 PRO 111 2HB PRO 111 11.278 21.489 4.592 831 HG2 PRO 111 1HG PRO 111 13.913 20.304 3.743 832 HG3 PRO 111 2HG PRO 111 12.390 19.464 4.186 833 HD2 PRO 111 1HD PRO 111 13.031 19.934 1.611 834 HD3 PRO 111 2HD PRO 111 11.333 20.082 2.179 835 H ALA 112 H ALA 112 14.691 22.226 1.962 836 HA ALA 112 HA ALA 112 16.513 23.691 3.672 837 HB1 ALA 112 1HB ALA 112 17.219 21.724 2.334 838 HB2 ALA 112 2HB ALA 112 18.161 23.173 1.909 839 HB3 ALA 112 3HB ALA 112 16.859 22.619 0.833 840 H ASN 113 H ASN 113 14.481 24.479 0.938 841 HA ASN 113 HA ASN 113 16.015 26.978 0.424 842 HB2 ASN 113 1HB ASN 113 13.798 25.607 -1.145 843 HB3 ASN 113 2HB ASN 113 14.587 27.120 -1.611 844 HD21 ASN 113 1HD2 ASN 113 16.132 23.993 -3.167 845 HD22 ASN 113 2HD2 ASN 113 14.454 24.379 -2.848 846 H ASN 114 H ASN 114 12.932 25.869 1.744 847 HA ASN 114 HA ASN 114 12.166 28.674 2.180 848 HB2 ASN 114 1HB ASN 114 10.806 28.283 0.351 849 HB3 ASN 114 2HB ASN 114 10.833 26.534 0.605 850 HD21 ASN 114 1HD2 ASN 114 8.069 28.754 2.455 851 HD22 ASN 114 2HD2 ASN 114 9.452 29.447 1.625 852 H ALA 115 H ALA 115 10.791 28.972 3.914 853 HA ALA 115 HA ALA 115 10.762 26.799 5.934 854 HB1 ALA 115 1HB ALA 115 11.714 28.988 6.613 855 HB2 ALA 115 2HB ALA 115 10.237 28.613 7.532 856 HB3 ALA 115 3HB ALA 115 10.174 29.784 6.195 857 H ALA 116 H ALA 116 8.873 26.005 6.758 858 HA ALA 116 HA ALA 116 6.503 26.149 5.154 859 HB1 ALA 116 1HB ALA 116 7.168 24.112 6.411 860 HB2 ALA 116 2HB ALA 116 5.533 24.650 6.850 861 HB3 ALA 116 3HB ALA 116 6.897 24.977 7.946 862 H ILE 117 H ILE 117 4.431 26.846 5.724 863 HA ILE 117 HA ILE 117 4.426 29.366 7.299 864 HB ILE 117 HB ILE 117 2.347 28.110 5.446 865 HG12 ILE 117 1HG1 ILE 117 3.747 30.548 4.543 866 HG13 ILE 117 2HG1 ILE 117 4.784 29.128 4.648 867 HG21 ILE 117 1HG2 ILE 117 1.284 29.720 6.964 868 HG22 ILE 117 2HG2 ILE 117 1.370 30.422 5.343 869 HG23 ILE 117 3HG2 ILE 117 2.525 30.940 6.594 870 HD11 ILE 117 1HD1 ILE 117 3.211 27.855 3.221 871 HD12 ILE 117 2HD1 ILE 117 3.827 29.315 2.410 872 HD13 ILE 117 3HD1 ILE 117 2.182 29.304 3.089 873 H VAL 118 H VAL 118 3.143 29.583 9.219 874 HA VAL 118 HA VAL 118 2.193 27.218 10.579 875 HB VAL 118 HB VAL 118 1.458 30.175 10.957 876 HG11 VAL 118 1HG1 VAL 118 0.697 29.464 13.234 877 HG12 VAL 118 2HG1 VAL 118 0.912 27.769 12.749 878 HG13 VAL 118 3HG1 VAL 118 -0.299 28.785 11.933 879 HG21 VAL 118 1HG2 VAL 118 3.028 30.042 12.892 880 HG22 VAL 118 2HG2 VAL 118 3.847 29.741 11.346 881 HG23 VAL 118 3HG2 VAL 118 3.445 28.379 12.420 882 H LEU 119 H LEU 119 0.364 26.080 10.217 883 HA LEU 119 HA LEU 119 -1.303 26.778 7.992 884 HB2 LEU 119 1HB LEU 119 -0.796 24.462 8.882 885 HB3 LEU 119 2HB LEU 119 -1.941 24.770 10.180 886 HG LEU 119 HG LEU 119 -2.821 25.124 7.315 887 HD11 LEU 119 1HD1 LEU 119 -3.053 22.415 8.613 888 HD12 LEU 119 2HD1 LEU 119 -1.608 22.841 7.667 889 HD13 LEU 119 3HD1 LEU 119 -3.214 22.872 6.911 890 HD21 LEU 119 1HD2 LEU 119 -4.165 24.438 9.953 891 HD22 LEU 119 2HD2 LEU 119 -4.955 24.046 8.414 892 HD23 LEU 119 3HD2 LEU 119 -4.555 25.727 8.803 893 H GLN 120 H GLN 120 -3.047 27.981 7.858 894 HA GLN 120 HA GLN 120 -4.548 28.739 10.333 895 HB2 GLN 120 1HB GLN 120 -3.708 30.481 7.990 896 HB3 GLN 120 2HB GLN 120 -4.877 30.971 9.222 897 HG2 GLN 120 1HG GLN 120 -3.264 31.211 10.859 898 HG3 GLN 120 2HG GLN 120 -2.150 30.094 10.071 899 HE21 GLN 120 1HE2 GLN 120 -0.592 32.498 8.075 900 HE22 GLN 120 2HE2 GLN 120 -0.800 30.795 8.435 901 H LEU 121 H LEU 121 -6.808 29.247 9.784 902 HA LEU 121 HA LEU 121 -7.646 27.869 7.264 903 HB2 LEU 121 1HB LEU 121 -8.844 27.948 10.029 904 HB3 LEU 121 2HB LEU 121 -9.865 27.677 8.625 905 HG LEU 121 HG LEU 121 -7.512 25.908 9.364 906 HD11 LEU 121 1HD1 LEU 121 -9.286 24.337 10.100 907 HD12 LEU 121 2HD1 LEU 121 -10.493 25.611 9.836 908 HD13 LEU 121 3HD1 LEU 121 -9.235 25.827 11.065 909 HD21 LEU 121 1HD2 LEU 121 -9.770 25.575 7.343 910 HD22 LEU 121 2HD2 LEU 121 -8.630 24.294 7.804 911 HD23 LEU 121 3HD2 LEU 121 -8.053 25.748 6.986 912 HA PRO 122 HA PRO 122 -9.277 31.750 6.124 913 HB2 PRO 122 1HB PRO 122 -11.234 31.075 4.359 914 HB3 PRO 122 2HB PRO 122 -9.486 30.772 4.019 915 HG2 PRO 122 1HG PRO 122 -11.558 28.897 5.131 916 HG3 PRO 122 2HG PRO 122 -10.457 28.652 3.740 917 HD2 PRO 122 1HD PRO 122 -9.869 27.693 6.168 918 HD3 PRO 122 2HD PRO 122 -8.594 28.379 5.105 919 H GLN 123 H GLN 123 -11.305 33.061 5.941 920 HA GLN 123 HA GLN 123 -12.671 33.134 8.385 921 HB2 GLN 123 1HB GLN 123 -12.442 34.992 6.693 922 HB3 GLN 123 2HB GLN 123 -13.635 34.168 5.689 923 HG2 GLN 123 1HG GLN 123 -14.836 35.861 6.791 924 HG3 GLN 123 2HG GLN 123 -15.255 34.385 7.666 925 HE21 GLN 123 1HE2 GLN 123 -13.736 37.504 9.627 926 HE22 GLN 123 2HE2 GLN 123 -14.350 37.560 7.991 927 H GLY 124 H GLY 124 -14.342 32.081 9.231 928 HA2 GLY 124 1HA GLY 124 -16.434 31.021 9.230 929 HA3 GLY 124 2HA GLY 124 -16.350 30.839 7.476 930 H THR 125 H THR 125 -13.405 29.697 8.238 931 HA THR 125 HA THR 125 -14.495 26.938 8.668 932 HB THR 125 HB THR 125 -11.826 27.737 7.440 933 HG1 THR 125 HG1 THR 125 -13.704 28.386 6.211 934 HG21 THR 125 1HG2 THR 125 -11.816 25.451 6.601 935 HG22 THR 125 2HG2 THR 125 -13.382 25.128 7.355 936 HG23 THR 125 3HG2 THR 125 -11.962 25.419 8.366 937 H THR 126 H THR 126 -14.011 25.912 10.502 938 HA THR 126 HA THR 126 -11.752 26.927 12.164 939 HB THR 126 HB THR 126 -13.217 26.159 14.124 940 HG1 THR 126 HG1 THR 126 -15.446 26.102 13.648 941 HG21 THR 126 1HG2 THR 126 -14.452 28.259 14.204 942 HG22 THR 126 2HG2 THR 126 -14.247 28.482 12.452 943 HG23 THR 126 3HG2 THR 126 -12.831 28.542 13.531 944 H LEU 127 H LEU 127 -10.711 25.395 13.484 945 HA LEU 127 HA LEU 127 -10.393 22.803 12.252 946 HB2 LEU 127 1HB LEU 127 -9.471 23.905 14.913 947 HB3 LEU 127 2HB LEU 127 -8.996 22.342 14.311 948 HG LEU 127 HG LEU 127 -8.326 24.922 12.876 949 HD11 LEU 127 1HD1 LEU 127 -6.091 24.706 13.848 950 HD12 LEU 127 2HD1 LEU 127 -6.626 23.294 14.789 951 HD13 LEU 127 3HD1 LEU 127 -7.317 24.898 15.121 952 HD21 LEU 127 1HD2 LEU 127 -6.645 23.518 11.740 953 HD22 LEU 127 2HD2 LEU 127 -8.271 22.867 11.486 954 HD23 LEU 127 3HD2 LEU 127 -7.187 22.097 12.664 955 HA PRO 128 HA PRO 128 -13.483 20.705 14.615 956 HB2 PRO 128 1HB PRO 128 -12.677 18.113 14.486 957 HB3 PRO 128 2HB PRO 128 -13.218 19.012 13.033 958 HG2 PRO 128 1HG PRO 128 -10.475 18.412 13.980 959 HG3 PRO 128 2HG PRO 128 -11.165 18.310 12.341 960 HD2 PRO 128 1HD PRO 128 -9.640 20.420 13.283 961 HD3 PRO 128 2HD PRO 128 -10.831 20.572 11.959 962 H LYS 129 H LYS 129 -13.635 18.981 16.504 963 HA LYS 129 HA LYS 129 -12.488 20.288 18.725 964 HB2 LYS 129 1HB LYS 129 -14.589 18.927 18.678 965 HB3 LYS 129 2HB LYS 129 -13.597 17.461 18.633 966 HG2 LYS 129 1HG LYS 129 -12.617 18.041 20.812 967 HG3 LYS 129 2HG LYS 129 -13.552 19.550 20.839 968 HD2 LYS 129 1HD LYS 129 -15.645 18.227 20.769 969 HD3 LYS 129 2HD LYS 129 -14.682 16.733 20.829 970 HE2 LYS 129 1HE LYS 129 -13.726 17.426 22.995 971 HE3 LYS 129 2HE LYS 129 -14.640 18.947 22.924 972 HZ1 LYS 129 1HZ LYS 129 -15.750 17.305 24.300 973 HZ2 LYS 129 2HZ LYS 129 -15.843 16.243 23.040 974 HZ3 LYS 129 3HZ LYS 129 -16.681 17.663 22.986 975 H GLY 130 H GLY 130 -10.625 20.234 19.695 976 HA2 GLY 130 1HA GLY 130 -8.880 19.175 20.841 977 HA3 GLY 130 2HA GLY 130 -9.161 17.701 19.917 978 H PHE 131 H PHE 131 -9.033 20.052 17.601 979 HA PHE 131 HA PHE 131 -6.245 19.365 17.047 980 HB2 PHE 131 1HB PHE 131 -8.661 20.054 15.498 981 HB3 PHE 131 2HB PHE 131 -7.166 20.778 14.905 982 HD1 PHE 131 HD1 PHE 131 -5.278 19.394 14.216 983 HD2 PHE 131 HD2 PHE 131 -9.037 17.668 15.331 984 HE1 PHE 131 HE1 PHE 131 -4.624 17.266 13.090 985 HE2 PHE 131 HE2 PHE 131 -8.408 15.554 14.201 986 HZ PHE 131 HZ PHE 131 -6.192 15.355 13.078 987 H TYR 132 H TYR 132 -4.703 20.697 16.766 988 HA TYR 132 HA TYR 132 -5.168 23.600 16.536 989 HB2 TYR 132 1HB TYR 132 -3.528 24.194 18.219 990 HB3 TYR 132 2HB TYR 132 -4.849 23.282 18.950 991 HD1 TYR 132 HD1 TYR 132 -4.470 20.913 19.732 992 HD2 TYR 132 HD2 TYR 132 -1.244 23.337 18.212 993 HE1 TYR 132 HE1 TYR 132 -2.819 19.407 20.819 994 HE2 TYR 132 HE2 TYR 132 0.400 21.813 19.305 995 HH TYR 132 HH TYR 132 -0.626 19.020 21.281 996 H ALA 133 H ALA 133 -3.128 24.687 15.775 997 HA ALA 133 HA ALA 133 -1.628 22.791 14.034 998 HB1 ALA 133 1HB ALA 133 -2.934 24.535 12.850 999 HB2 ALA 133 2HB ALA 133 -1.186 24.770 12.613 1000 HB3 ALA 133 3HB ALA 133 -2.074 25.797 13.757 1001 H GLU 134 H GLU 134 0.640 23.009 13.803 1002 HA GLU 134 HA GLU 134 2.014 23.733 16.253 1003 HB2 GLU 134 1HB GLU 134 2.863 21.911 14.941 1004 HB3 GLU 134 2HB GLU 134 2.870 22.878 13.481 1005 HG2 GLU 134 1HG GLU 134 5.123 22.645 14.101 1006 HG3 GLU 134 2HG GLU 134 4.688 24.303 14.530 1007 H GLY 135 H GLY 135 3.064 25.606 16.739 1008 HA2 GLY 135 1HA GLY 135 3.956 27.733 16.381 1009 HA3 GLY 135 2HA GLY 135 3.538 27.630 14.667 1010 H SER 136 H SER 136 0.723 26.797 16.159 1011 HA SER 136 HA SER 136 -0.353 29.509 15.841 1012 HB2 SER 136 1HB SER 136 -1.505 27.441 14.977 1013 HB3 SER 136 2HB SER 136 -1.767 26.939 16.657 1014 HG SER 136 HG SER 136 -3.295 28.411 16.859 1015 H ARG 137 H ARG 137 -2.043 30.099 17.537 1016 HA ARG 137 HA ARG 137 -1.130 29.501 20.308 1017 HB2 ARG 137 1HB ARG 137 -1.818 32.222 19.104 1018 HB3 ARG 137 2HB ARG 137 -1.650 31.920 20.831 1019 HG2 ARG 137 1HG ARG 137 0.567 31.632 18.764 1020 HG3 ARG 137 2HG ARG 137 0.359 32.981 19.890 1021 HD2 ARG 137 1HD ARG 137 0.945 30.082 20.633 1022 HD3 ARG 137 2HD ARG 137 2.081 31.433 20.719 1023 HE ARG 137 HE ARG 137 -0.061 30.768 22.604 1024 HH11 ARG 137 1HH1 ARG 137 2.169 33.309 21.582 1025 HH12 ARG 137 2HH1 ARG 137 2.020 34.168 23.092 1026 HH21 ARG 137 1HH2 ARG 137 -0.210 31.923 24.488 1027 HH22 ARG 137 2HH2 ARG 137 0.707 33.387 24.709 1028 H GLY 138 H GLY 138 -2.940 30.369 21.789 1029 HA2 GLY 138 1HA GLY 138 -5.628 30.456 20.733 1030 HA3 GLY 138 2HA GLY 138 -5.235 28.895 21.515 1031 H GLY 139 H GLY 139 -7.021 29.934 23.025 1032 HA2 GLY 139 1HA GLY 139 -5.552 31.141 25.291 1033 HA3 GLY 139 2HA GLY 139 -6.976 32.008 24.659 1034 H SER 140 H SER 140 -7.565 31.407 27.055 1035 HA SER 140 HA SER 140 -8.452 28.654 27.458 1036 HB2 SER 140 1HB SER 140 -9.033 31.188 29.043 1037 HB3 SER 140 2HB SER 140 -9.283 29.515 29.594 1038 HG SER 140 HG SER 140 -6.981 29.232 29.266 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 0.158 -1.217 -3.027 2 H2 GLY 1 2H GLY 1 0.295 -0.991 -1.399 3 H3 GLY 1 3H GLY 1 0.821 -2.397 -2.084 4 HA2 GLY 1 1HA GLY 1 2.690 -1.022 -1.541 5 HA3 GLY 1 2HA GLY 1 2.532 -1.239 -3.295 6 H ALA 2 H ALA 2 3.735 0.723 -3.623 7 HA ALA 2 HA ALA 2 3.983 2.928 -4.026 8 HB1 ALA 2 1HB ALA 2 2.067 2.409 -5.494 9 HB2 ALA 2 2HB ALA 2 2.065 4.094 -4.944 10 HB3 ALA 2 3HB ALA 2 0.950 2.928 -4.206 11 H MET 3 H MET 3 3.708 2.274 -1.121 12 HA MET 3 HA MET 3 3.504 5.052 -0.234 13 HB2 MET 3 1HB MET 3 1.166 3.660 -0.115 14 HB3 MET 3 2HB MET 3 1.881 3.154 1.415 15 HG2 MET 3 1HG MET 3 1.427 6.026 0.527 16 HG3 MET 3 2HG MET 3 0.381 5.123 1.630 17 HE1 MET 3 1HE MET 3 2.502 4.822 4.899 18 HE2 MET 3 2HE MET 3 2.281 3.579 3.647 19 HE3 MET 3 3HE MET 3 0.906 4.595 4.147 20 H GLY 4 H GLY 4 5.095 5.337 1.284 21 HA2 GLY 4 1HA GLY 4 5.712 3.360 3.263 22 HA3 GLY 4 2HA GLY 4 6.892 3.288 1.946 23 H LEU 5 H LEU 5 8.059 5.281 1.391 24 HA LEU 5 HA LEU 5 8.512 6.944 3.831 25 HB2 LEU 5 1HB LEU 5 10.454 6.015 1.685 26 HB3 LEU 5 2HB LEU 5 10.860 7.082 3.018 27 HG LEU 5 HG LEU 5 9.963 4.196 3.331 28 HD11 LEU 5 1HD1 LEU 5 12.325 3.746 3.854 29 HD12 LEU 5 2HD1 LEU 5 12.735 5.444 3.510 30 HD13 LEU 5 3HD1 LEU 5 12.145 4.385 2.208 31 HD21 LEU 5 1HD2 LEU 5 10.823 4.462 5.655 32 HD22 LEU 5 2HD2 LEU 5 9.434 5.513 5.324 33 HD23 LEU 5 3HD2 LEU 5 11.080 6.195 5.345 34 HA PRO 6 HA PRO 6 7.843 10.346 1.038 35 HB2 PRO 6 1HB PRO 6 9.062 12.411 2.293 36 HB3 PRO 6 2HB PRO 6 7.642 11.602 3.035 37 HG2 PRO 6 1HG PRO 6 10.573 11.142 3.557 38 HG3 PRO 6 2HG PRO 6 9.260 11.462 4.734 39 HD2 PRO 6 1HD PRO 6 10.134 8.942 4.152 40 HD3 PRO 6 2HD PRO 6 8.418 9.290 4.556 41 H ASN 7 H ASN 7 9.158 12.095 -0.219 42 HA ASN 7 HA ASN 7 11.898 11.087 -0.801 43 HB2 ASN 7 1HB ASN 7 9.776 12.306 -2.625 44 HB3 ASN 7 2HB ASN 7 11.467 12.073 -3.101 45 HD21 ASN 7 1HD2 ASN 7 9.029 9.136 -3.815 46 HD22 ASN 7 2HD2 ASN 7 8.622 10.831 -3.695 47 H ASN 8 H ASN 8 11.896 13.648 -2.519 48 HA ASN 8 HA ASN 8 12.765 15.435 -0.297 49 HB2 ASN 8 1HB ASN 8 14.435 14.652 -2.032 50 HB3 ASN 8 2HB ASN 8 13.527 15.583 -3.234 51 HD21 ASN 8 1HD2 ASN 8 15.710 18.215 -2.528 52 HD22 ASN 8 2HD2 ASN 8 15.123 17.052 -3.689 53 H THR 9 H THR 9 10.085 15.513 -0.556 54 HA THR 9 HA THR 9 9.558 18.161 -1.704 55 HB THR 9 HB THR 9 7.275 17.258 -2.408 56 HG1 THR 9 HG1 THR 9 7.070 15.026 -2.628 57 HG21 THR 9 1HG2 THR 9 7.946 16.351 -4.535 58 HG22 THR 9 2HG2 THR 9 9.524 15.848 -3.886 59 HG23 THR 9 3HG2 THR 9 9.151 17.575 -4.078 60 H ALA 10 H ALA 10 7.978 19.099 -0.341 61 HA ALA 10 HA ALA 10 7.185 17.629 2.086 62 HB1 ALA 10 1HB ALA 10 9.442 18.580 2.573 63 HB2 ALA 10 2HB ALA 10 8.173 19.304 3.588 64 HB3 ALA 10 3HB ALA 10 8.820 20.207 2.195 65 H SER 11 H SER 11 5.470 18.466 3.204 66 HA SER 11 HA SER 11 3.510 19.938 1.799 67 HB2 SER 11 1HB SER 11 2.919 20.269 4.480 68 HB3 SER 11 2HB SER 11 2.506 18.834 3.513 69 HG SER 11 HG SER 11 3.753 18.509 5.543 70 H TRP 12 H TRP 12 2.883 22.091 1.851 71 HA TRP 12 HA TRP 12 4.916 24.032 2.332 72 HB2 TRP 12 1HB TRP 12 2.098 24.027 1.420 73 HB3 TRP 12 2HB TRP 12 2.685 25.532 2.147 74 HD1 TRP 12 HD1 TRP 12 2.950 23.498 -0.999 75 HE1 TRP 12 HE1 TRP 12 4.427 24.626 -2.712 76 HE3 TRP 12 HE3 TRP 12 4.873 27.112 2.048 77 HZ2 TRP 12 HZ2 TRP 12 6.267 26.811 -2.762 78 HZ3 TRP 12 HZ3 TRP 12 6.508 28.746 1.084 79 HH2 TRP 12 HH2 TRP 12 7.210 28.567 -1.299 80 H PHE 13 H PHE 13 2.572 22.673 4.468 81 HA PHE 13 HA PHE 13 2.847 25.027 6.258 82 HB2 PHE 13 1HB PHE 13 0.498 23.134 6.058 83 HB3 PHE 13 2HB PHE 13 0.585 24.647 6.971 84 HD1 PHE 13 HD1 PHE 13 0.705 26.826 5.742 85 HD2 PHE 13 HD2 PHE 13 -0.044 23.096 3.748 86 HE1 PHE 13 HE1 PHE 13 -0.063 28.061 3.723 87 HE2 PHE 13 HE2 PHE 13 -0.838 24.313 1.745 88 HZ PHE 13 HZ PHE 13 -0.804 26.788 1.711 89 H THR 14 H THR 14 2.454 24.697 8.493 90 HA THR 14 HA THR 14 4.115 22.602 9.550 91 HB THR 14 HB THR 14 3.359 23.484 11.751 92 HG1 THR 14 HG1 THR 14 1.851 25.106 11.826 93 HG21 THR 14 1HG2 THR 14 4.249 25.764 11.514 94 HG22 THR 14 2HG2 THR 14 4.098 25.648 9.750 95 HG23 THR 14 3HG2 THR 14 5.235 24.591 10.615 96 H ALA 15 H ALA 15 3.407 21.196 11.347 97 HA ALA 15 HA ALA 15 1.167 19.602 10.371 98 HB1 ALA 15 1HB ALA 15 2.070 17.871 11.659 99 HB2 ALA 15 2HB ALA 15 2.873 18.993 12.785 100 HB3 ALA 15 3HB ALA 15 3.498 18.786 11.140 101 H LEU 16 H LEU 16 -0.784 19.458 11.211 102 HA LEU 16 HA LEU 16 -1.525 20.941 13.653 103 HB2 LEU 16 1HB LEU 16 -2.929 19.172 11.635 104 HB3 LEU 16 2HB LEU 16 -3.687 19.584 13.154 105 HG LEU 16 HG LEU 16 -4.195 21.695 12.522 106 HD11 LEU 16 1HD1 LEU 16 -3.031 23.056 10.936 107 HD12 LEU 16 2HD1 LEU 16 -1.911 21.732 10.560 108 HD13 LEU 16 3HD1 LEU 16 -1.921 22.487 12.165 109 HD21 LEU 16 1HD2 LEU 16 -4.953 21.671 10.203 110 HD22 LEU 16 2HD2 LEU 16 -5.263 20.116 11.001 111 HD23 LEU 16 3HD2 LEU 16 -3.895 20.278 9.871 112 H THR 17 H THR 17 -2.195 19.876 15.584 113 HA THR 17 HA THR 17 -1.305 17.004 15.741 114 HB THR 17 HB THR 17 -1.262 19.121 17.924 115 HG1 THR 17 HG1 THR 17 0.862 19.288 17.554 116 HG21 THR 17 1HG2 THR 17 0.188 17.410 19.076 117 HG22 THR 17 2HG2 THR 17 -0.283 16.246 17.816 118 HG23 THR 17 3HG2 THR 17 -1.515 16.940 18.903 119 H GLN 18 H GLN 18 -2.723 15.581 16.697 120 HA GLN 18 HA GLN 18 -5.426 16.692 17.346 121 HB2 GLN 18 1HB GLN 18 -5.475 15.223 15.433 122 HB3 GLN 18 2HB GLN 18 -4.466 14.039 16.232 123 HG2 GLN 18 1HG GLN 18 -6.731 13.189 16.112 124 HG3 GLN 18 2HG GLN 18 -6.318 13.478 17.798 125 HE21 GLN 18 1HE2 GLN 18 -9.745 14.839 16.566 126 HE22 GLN 18 2HE2 GLN 18 -8.859 13.426 16.003 127 H HIS 19 H HIS 19 -6.319 16.348 19.253 128 HA HIS 19 HA HIS 19 -5.189 14.191 21.009 129 HB2 HIS 19 1HB HIS 19 -4.510 16.441 21.851 130 HB3 HIS 19 2HB HIS 19 -6.202 16.947 21.836 131 HD1 HIS 19 HD1 HIS 19 -3.717 14.986 23.849 132 HD2 HIS 19 HD2 HIS 19 -7.811 15.756 23.837 133 HE1 HIS 19 HE1 HIS 19 -4.611 14.242 26.097 134 H GLY 20 H GLY 20 -6.782 12.696 20.534 135 HA2 GLY 20 1HA GLY 20 -9.341 12.857 21.636 136 HA3 GLY 20 2HA GLY 20 -9.490 13.454 19.966 137 H LYS 21 H LYS 21 -10.884 11.424 19.852 138 HA LYS 21 HA LYS 21 -9.224 8.961 19.480 139 HB2 LYS 21 1HB LYS 21 -12.215 9.391 19.788 140 HB3 LYS 21 2HB LYS 21 -11.477 7.846 19.371 141 HG2 LYS 21 1HG LYS 21 -10.186 7.912 21.500 142 HG3 LYS 21 2HG LYS 21 -11.038 9.408 21.936 143 HD2 LYS 21 1HD LYS 21 -13.199 8.215 21.824 144 HD3 LYS 21 2HD LYS 21 -12.360 6.730 21.338 145 HE2 LYS 21 1HE LYS 21 -12.855 6.583 23.698 146 HE3 LYS 21 2HE LYS 21 -11.102 6.762 23.494 147 HZ1 LYS 21 1HZ LYS 21 -12.972 8.949 24.212 148 HZ2 LYS 21 2HZ LYS 21 -11.340 9.109 24.033 149 HZ3 LYS 21 3HZ LYS 21 -11.948 8.184 25.254 150 H GLU 22 H GLU 22 -11.080 11.335 17.769 151 HA GLU 22 HA GLU 22 -11.466 9.686 15.386 152 HB2 GLU 22 1HB GLU 22 -11.835 12.657 15.905 153 HB3 GLU 22 2HB GLU 22 -12.325 11.821 14.427 154 HG2 GLU 22 1HG GLU 22 -13.943 10.487 15.661 155 HG3 GLU 22 2HG GLU 22 -13.378 11.162 17.201 156 H ASP 23 H ASP 23 -10.518 10.311 13.286 157 HA ASP 23 HA ASP 23 -7.666 10.799 13.565 158 HB2 ASP 23 1HB ASP 23 -9.598 9.992 11.464 159 HB3 ASP 23 2HB ASP 23 -8.238 10.947 10.865 160 H LEU 24 H LEU 24 -10.136 12.394 11.558 161 HA LEU 24 HA LEU 24 -9.826 15.087 12.273 162 HB2 LEU 24 1HB LEU 24 -7.504 14.980 11.385 163 HB3 LEU 24 2HB LEU 24 -8.080 14.237 9.911 164 HG LEU 24 HG LEU 24 -9.144 16.298 9.212 165 HD11 LEU 24 1HD1 LEU 24 -8.076 17.648 11.720 166 HD12 LEU 24 2HD1 LEU 24 -9.778 17.244 11.449 167 HD13 LEU 24 3HD1 LEU 24 -8.971 18.407 10.390 168 HD21 LEU 24 1HD2 LEU 24 -7.131 17.663 8.899 169 HD22 LEU 24 2HD2 LEU 24 -6.773 15.934 8.705 170 HD23 LEU 24 3HD2 LEU 24 -6.315 16.772 10.206 171 H LYS 25 H LYS 25 -11.459 16.194 11.041 172 HA LYS 25 HA LYS 25 -12.209 15.097 8.452 173 HB2 LYS 25 1HB LYS 25 -13.506 13.734 10.192 174 HB3 LYS 25 2HB LYS 25 -14.330 15.231 10.632 175 HG2 LYS 25 1HG LYS 25 -15.731 13.948 9.135 176 HG3 LYS 25 2HG LYS 25 -15.192 15.407 8.288 177 HD2 LYS 25 1HD LYS 25 -13.424 14.071 7.136 178 HD3 LYS 25 2HD LYS 25 -13.984 12.616 7.979 179 HE2 LYS 25 1HE LYS 25 -15.684 14.315 6.109 180 HE3 LYS 25 2HE LYS 25 -14.832 12.830 5.634 181 HZ1 LYS 25 1HZ LYS 25 -17.133 12.379 6.199 182 HZ2 LYS 25 2HZ LYS 25 -16.933 12.997 7.717 183 HZ3 LYS 25 3HZ LYS 25 -16.135 11.623 7.274 184 H PHE 26 H PHE 26 -13.121 16.637 7.172 185 HA PHE 26 HA PHE 26 -13.851 19.234 8.447 186 HB2 PHE 26 1HB PHE 26 -12.095 18.661 6.048 187 HB3 PHE 26 2HB PHE 26 -12.977 20.180 6.174 188 HD1 PHE 26 HD1 PHE 26 -9.776 19.195 6.423 189 HD2 PHE 26 HD2 PHE 26 -12.794 20.910 9.001 190 HE1 PHE 26 HE1 PHE 26 -8.022 20.105 7.913 191 HE2 PHE 26 HE2 PHE 26 -11.020 21.859 10.439 192 HZ PHE 26 HZ PHE 26 -8.626 21.436 9.905 193 HA PRO 27 HA PRO 27 -17.615 18.693 6.280 194 HB2 PRO 27 1HB PRO 27 -18.374 21.234 5.598 195 HB3 PRO 27 2HB PRO 27 -18.273 20.690 7.302 196 HG2 PRO 27 1HG PRO 27 -16.238 22.145 5.675 197 HG3 PRO 27 2HG PRO 27 -16.925 22.585 7.266 198 HD2 PRO 27 1HD PRO 27 -14.574 21.332 7.061 199 HD3 PRO 27 2HD PRO 27 -15.737 20.888 8.357 200 H ARG 28 H ARG 28 -18.902 19.310 4.210 201 HA ARG 28 HA ARG 28 -17.247 18.601 1.931 202 HB2 ARG 28 1HB ARG 28 -19.541 17.795 2.233 203 HB3 ARG 28 2HB ARG 28 -20.134 19.451 2.047 204 HG2 ARG 28 1HG ARG 28 -19.361 19.549 -0.231 205 HG3 ARG 28 2HG ARG 28 -18.545 17.974 -0.072 206 HD2 ARG 28 1HD ARG 28 -20.642 16.868 0.282 207 HD3 ARG 28 2HD ARG 28 -21.496 18.421 0.314 208 HE ARG 28 HE ARG 28 -20.121 18.231 -2.155 209 HH11 ARG 28 1HH1 ARG 28 -22.871 16.690 -0.562 210 HH12 ARG 28 2HH1 ARG 28 -23.648 16.305 -2.074 211 HH21 ARG 28 1HH2 ARG 28 -21.182 17.721 -4.042 212 HH22 ARG 28 2HH2 ARG 28 -22.706 16.877 -4.005 213 H GLY 29 H GLY 29 -16.212 19.931 0.616 214 HA2 GLY 29 1HA GLY 29 -15.871 21.742 -0.787 215 HA3 GLY 29 2HA GLY 29 -17.422 22.404 -0.269 216 H GLN 30 H GLN 30 -15.302 21.719 2.362 217 HA GLN 30 HA GLN 30 -14.010 24.361 2.343 218 HB2 GLN 30 1HB GLN 30 -16.288 24.887 3.064 219 HB3 GLN 30 2HB GLN 30 -16.270 23.566 4.213 220 HG2 GLN 30 1HG GLN 30 -14.397 24.808 5.394 221 HG3 GLN 30 2HG GLN 30 -14.818 26.190 4.370 222 HE21 GLN 30 1HE2 GLN 30 -16.728 25.946 7.708 223 HE22 GLN 30 2HE2 GLN 30 -15.044 25.640 7.326 224 H GLY 31 H GLY 31 -12.169 24.274 3.777 225 HA2 GLY 31 1HA GLY 31 -11.613 23.027 6.010 226 HA3 GLY 31 2HA GLY 31 -11.769 21.589 4.996 227 H VAL 32 H VAL 32 -10.604 23.353 2.696 228 HA VAL 32 HA VAL 32 -7.877 22.558 3.175 229 HB VAL 32 HB VAL 32 -7.342 23.814 1.114 230 HG11 VAL 32 1HG1 VAL 32 -8.607 22.429 -0.441 231 HG12 VAL 32 2HG1 VAL 32 -9.770 22.051 0.843 232 HG13 VAL 32 3HG1 VAL 32 -8.082 21.506 0.971 233 HG21 VAL 32 1HG2 VAL 32 -9.066 24.779 -0.278 234 HG22 VAL 32 2HG2 VAL 32 -8.906 25.653 1.256 235 HG23 VAL 32 3HG2 VAL 32 -10.267 24.530 1.012 236 HA PRO 33 HA PRO 33 -6.695 26.097 5.466 237 HB2 PRO 33 1HB PRO 33 -3.997 25.994 5.201 238 HB3 PRO 33 2HB PRO 33 -4.927 24.748 6.086 239 HG2 PRO 33 1HG PRO 33 -3.881 24.690 3.314 240 HG3 PRO 33 2HG PRO 33 -3.780 23.456 4.600 241 HD2 PRO 33 1HD PRO 33 -5.602 23.383 2.614 242 HD3 PRO 33 2HD PRO 33 -5.932 22.711 4.253 243 H ILE 34 H ILE 34 -5.368 28.128 5.322 244 HA ILE 34 HA ILE 34 -5.934 29.462 2.805 245 HB ILE 34 HB ILE 34 -4.308 30.337 5.228 246 HG12 ILE 34 1HG1 ILE 34 -7.079 31.122 4.298 247 HG13 ILE 34 2HG1 ILE 34 -6.750 29.928 5.556 248 HG21 ILE 34 1HG2 ILE 34 -4.377 32.609 4.282 249 HG22 ILE 34 2HG2 ILE 34 -5.309 32.032 2.877 250 HG23 ILE 34 3HG2 ILE 34 -3.619 31.530 3.111 251 HD11 ILE 34 1HD1 ILE 34 -6.102 32.869 5.647 252 HD12 ILE 34 2HD1 ILE 34 -5.541 31.680 6.849 253 HD13 ILE 34 3HD1 ILE 34 -7.276 31.983 6.636 254 H ASN 35 H ASN 35 -4.858 28.992 1.105 255 HA ASN 35 HA ASN 35 -1.998 28.209 1.356 256 HB2 ASN 35 1HB ASN 35 -3.853 27.893 -1.003 257 HB3 ASN 35 2HB ASN 35 -2.203 27.306 -0.909 258 HD21 ASN 35 1HD2 ASN 35 -5.175 25.002 0.309 259 HD22 ASN 35 2HD2 ASN 35 -5.376 26.473 -0.613 260 H THR 36 H THR 36 -1.188 30.288 1.676 261 HA THR 36 HA THR 36 -1.782 32.539 0.011 262 HB THR 36 HB THR 36 0.277 33.505 1.033 263 HG1 THR 36 HG1 THR 36 1.598 32.201 2.255 264 HG21 THR 36 1HG2 THR 36 -0.393 33.375 3.339 265 HG22 THR 36 2HG2 THR 36 -1.212 31.821 3.072 266 HG23 THR 36 3HG2 THR 36 -1.870 33.314 2.354 267 H ASN 37 H ASN 37 0.117 29.788 -0.544 268 HA ASN 37 HA ASN 37 1.765 31.130 -2.637 269 HB2 ASN 37 1HB ASN 37 3.179 29.106 -2.496 270 HB3 ASN 37 2HB ASN 37 3.003 29.880 -0.915 271 HD21 ASN 37 1HD2 ASN 37 1.439 27.168 0.619 272 HD22 ASN 37 2HD2 ASN 37 1.987 28.826 0.739 273 H SER 38 H SER 38 -1.191 30.242 -2.830 274 HA SER 38 HA SER 38 -0.805 28.607 -5.288 275 HB2 SER 38 1HB SER 38 -2.845 27.981 -3.133 276 HB3 SER 38 2HB SER 38 -2.527 27.051 -4.598 277 HG SER 38 HG SER 38 -0.225 27.305 -3.361 278 H SER 39 H SER 39 -2.431 28.749 -6.839 279 HA SER 39 HA SER 39 -3.991 31.210 -6.885 280 HB2 SER 39 1HB SER 39 -4.540 28.904 -8.731 281 HB3 SER 39 2HB SER 39 -4.341 30.629 -9.110 282 HG SER 39 HG SER 39 -2.471 28.585 -8.947 283 HA PRO 40 HA PRO 40 -7.637 29.589 -5.106 284 HB2 PRO 40 1HB PRO 40 -9.761 30.184 -6.729 285 HB3 PRO 40 2HB PRO 40 -8.884 31.417 -5.760 286 HG2 PRO 40 1HG PRO 40 -8.485 30.692 -8.651 287 HG3 PRO 40 2HG PRO 40 -8.761 32.307 -7.919 288 HD2 PRO 40 1HD PRO 40 -6.275 31.472 -8.486 289 HD3 PRO 40 2HD PRO 40 -6.604 32.365 -6.959 290 H ASP 41 H ASP 41 -7.095 28.827 -8.500 291 HA ASP 41 HA ASP 41 -8.658 26.495 -8.813 292 HB2 ASP 41 1HB ASP 41 -5.866 27.042 -9.898 293 HB3 ASP 41 2HB ASP 41 -7.098 26.006 -10.625 294 H ASP 42 H ASP 42 -5.677 27.113 -7.112 295 HA ASP 42 HA ASP 42 -4.915 24.262 -7.091 296 HB2 ASP 42 1HB ASP 42 -3.489 26.803 -6.325 297 HB3 ASP 42 2HB ASP 42 -2.791 25.196 -6.145 298 H GLN 43 H GLN 43 -6.757 26.171 -5.061 299 HA GLN 43 HA GLN 43 -5.614 25.633 -2.515 300 HB2 GLN 43 1HB GLN 43 -8.545 25.874 -3.251 301 HB3 GLN 43 2HB GLN 43 -7.867 26.052 -1.631 302 HG2 GLN 43 1HG GLN 43 -7.330 27.855 -3.995 303 HG3 GLN 43 2HG GLN 43 -8.391 28.225 -2.638 304 HE21 GLN 43 1HE2 GLN 43 -4.533 29.145 -2.485 305 HE22 GLN 43 2HE2 GLN 43 -5.422 28.745 -3.934 306 H ILE 44 H ILE 44 -7.385 23.520 -4.640 307 HA ILE 44 HA ILE 44 -8.457 21.670 -2.807 308 HB ILE 44 HB ILE 44 -9.031 21.819 -5.202 309 HG12 ILE 44 1HG1 ILE 44 -8.024 19.023 -4.764 310 HG13 ILE 44 2HG1 ILE 44 -9.306 19.701 -3.757 311 HG21 ILE 44 1HG2 ILE 44 -7.513 20.710 -6.896 312 HG22 ILE 44 2HG2 ILE 44 -6.240 20.700 -5.682 313 HG23 ILE 44 3HG2 ILE 44 -6.909 22.243 -6.258 314 HD11 ILE 44 1HD1 ILE 44 -10.246 18.409 -5.660 315 HD12 ILE 44 2HD1 ILE 44 -9.422 19.485 -6.802 316 HD13 ILE 44 3HD1 ILE 44 -10.706 20.122 -5.756 317 H GLY 45 H GLY 45 -7.815 19.789 -1.842 318 HA2 GLY 45 1HA GLY 45 -5.415 18.411 -2.457 319 HA3 GLY 45 2HA GLY 45 -5.064 19.557 -1.155 320 H TYR 46 H TYR 46 -4.616 17.851 0.270 321 HA TYR 46 HA TYR 46 -7.035 16.898 1.620 322 HB2 TYR 46 1HB TYR 46 -6.450 14.554 1.529 323 HB3 TYR 46 2HB TYR 46 -6.576 15.155 -0.120 324 HD1 TYR 46 HD1 TYR 46 -4.548 15.385 -1.525 325 HD2 TYR 46 HD2 TYR 46 -4.363 13.926 2.516 326 HE1 TYR 46 HE1 TYR 46 -2.246 14.525 -1.961 327 HE2 TYR 46 HE2 TYR 46 -2.054 13.034 2.048 328 HH TYR 46 HH TYR 46 -0.347 12.850 0.543 329 H TYR 47 H TYR 47 -6.374 15.835 3.737 330 HA TYR 47 HA TYR 47 -3.720 16.938 4.588 331 HB2 TYR 47 1HB TYR 47 -6.137 16.183 6.208 332 HB3 TYR 47 2HB TYR 47 -4.570 16.528 6.899 333 HD1 TYR 47 HD1 TYR 47 -4.078 18.654 7.656 334 HD2 TYR 47 HD2 TYR 47 -7.122 18.204 4.645 335 HE1 TYR 47 HE1 TYR 47 -4.660 21.061 7.865 336 HE2 TYR 47 HE2 TYR 47 -7.675 20.623 4.867 337 HH TYR 47 HH TYR 47 -7.355 22.538 6.072 338 H ARG 48 H ARG 48 -2.247 15.606 5.522 339 HA ARG 48 HA ARG 48 -2.756 12.670 5.184 340 HB2 ARG 48 1HB ARG 48 -1.145 13.879 3.616 341 HB3 ARG 48 2HB ARG 48 -0.107 14.158 5.006 342 HG2 ARG 48 1HG ARG 48 0.209 11.778 5.324 343 HG3 ARG 48 2HG ARG 48 -0.989 11.418 4.068 344 HD2 ARG 48 1HD ARG 48 0.442 12.640 2.418 345 HD3 ARG 48 2HD ARG 48 1.677 12.818 3.674 346 HE ARG 48 HE ARG 48 0.964 10.391 2.182 347 HH11 ARG 48 1HH1 ARG 48 2.661 11.618 5.030 348 HH12 ARG 48 2HH1 ARG 48 3.669 10.202 5.147 349 HH21 ARG 48 1HH2 ARG 48 2.285 8.623 2.406 350 HH22 ARG 48 2HH2 ARG 48 3.449 8.536 3.697 351 H ARG 49 H ARG 49 -2.696 11.501 6.974 352 HA ARG 49 HA ARG 49 -1.825 12.583 9.516 353 HB2 ARG 49 1HB ARG 49 -3.581 10.795 9.017 354 HB3 ARG 49 2HB ARG 49 -2.252 9.678 8.766 355 HG2 ARG 49 1HG ARG 49 -1.555 9.899 11.093 356 HG3 ARG 49 2HG ARG 49 -2.733 11.201 11.368 357 HD2 ARG 49 1HD ARG 49 -3.571 9.030 12.236 358 HD3 ARG 49 2HD ARG 49 -4.581 9.639 10.912 359 HE ARG 49 HE ARG 49 -2.528 7.978 9.893 360 HH11 ARG 49 1HH1 ARG 49 -5.686 7.714 11.478 361 HH12 ARG 49 2HH1 ARG 49 -5.946 6.120 10.801 362 HH21 ARG 49 1HH2 ARG 49 -2.937 5.956 9.150 363 HH22 ARG 49 2HH2 ARG 49 -4.448 5.160 9.498 364 H ALA 50 H ALA 50 0.001 12.169 10.714 365 HA ALA 50 HA ALA 50 2.028 10.277 9.661 366 HB1 ALA 50 1HB ALA 50 2.704 12.444 8.703 367 HB2 ALA 50 2HB ALA 50 3.825 11.977 10.012 368 HB3 ALA 50 3HB ALA 50 2.574 13.209 10.307 369 H THR 51 H THR 51 3.218 9.334 11.275 370 HA THR 51 HA THR 51 3.033 10.377 14.066 371 HB THR 51 HB THR 51 2.852 7.975 14.852 372 HG1 THR 51 HG1 THR 51 2.074 6.474 13.228 373 HG21 THR 51 1HG2 THR 51 0.462 7.600 14.345 374 HG22 THR 51 2HG2 THR 51 0.531 8.876 13.107 375 HG23 THR 51 3HG2 THR 51 0.798 9.273 14.822 376 H ARG 52 H ARG 52 4.898 9.134 15.291 377 HA ARG 52 HA ARG 52 6.941 8.167 13.338 378 HB2 ARG 52 1HB ARG 52 7.351 10.596 14.001 379 HB3 ARG 52 2HB ARG 52 7.613 10.023 15.648 380 HG2 ARG 52 1HG ARG 52 9.764 10.279 14.699 381 HG3 ARG 52 2HG ARG 52 9.465 8.531 14.703 382 HD2 ARG 52 1HD ARG 52 8.858 8.597 12.330 383 HD3 ARG 52 2HD ARG 52 8.998 10.365 12.317 384 HE ARG 52 HE ARG 52 11.472 9.312 13.190 385 HH11 ARG 52 1HH1 ARG 52 9.556 9.351 10.224 386 HH12 ARG 52 2HH1 ARG 52 10.966 9.243 9.204 387 HH21 ARG 52 1HH2 ARG 52 13.226 9.173 11.818 388 HH22 ARG 52 2HH2 ARG 52 12.997 9.137 10.092 389 H ARG 53 H ARG 53 7.598 6.214 13.867 390 HA ARG 53 HA ARG 53 8.072 5.494 16.682 391 HB2 ARG 53 1HB ARG 53 5.649 4.936 16.216 392 HB3 ARG 53 2HB ARG 53 6.186 3.902 14.890 393 HG2 ARG 53 1HG ARG 53 7.524 3.247 17.424 394 HG3 ARG 53 2HG ARG 53 5.771 3.148 17.530 395 HD2 ARG 53 1HD ARG 53 5.780 1.747 15.447 396 HD3 ARG 53 2HD ARG 53 7.543 1.690 15.567 397 HE ARG 53 HE ARG 53 7.374 0.185 17.320 398 HH11 ARG 53 1HH1 ARG 53 4.153 1.584 16.833 399 HH12 ARG 53 2HH1 ARG 53 3.398 0.423 17.887 400 HH21 ARG 53 1HH2 ARG 53 6.320 -1.249 18.654 401 HH22 ARG 53 2HH2 ARG 53 4.599 -1.132 18.901 402 H ILE 54 H ILE 54 9.509 3.915 16.898 403 HA ILE 54 HA ILE 54 10.661 2.615 14.529 404 HB ILE 54 HB ILE 54 12.875 3.384 14.932 405 HG12 ILE 54 1HG1 ILE 54 13.072 3.221 17.322 406 HG13 ILE 54 2HG1 ILE 54 13.620 4.793 16.788 407 HG21 ILE 54 1HG2 ILE 54 12.875 5.805 14.680 408 HG22 ILE 54 2HG2 ILE 54 11.235 5.918 15.352 409 HG23 ILE 54 3HG2 ILE 54 11.506 5.109 13.787 410 HD11 ILE 54 1HD1 ILE 54 12.422 5.023 18.837 411 HD12 ILE 54 2HD1 ILE 54 11.007 4.191 18.170 412 HD13 ILE 54 3HD1 ILE 54 11.482 5.789 17.543 413 H ARG 55 H ARG 55 12.489 1.117 15.623 414 HA ARG 55 HA ARG 55 11.557 0.220 18.329 415 HB2 ARG 55 1HB ARG 55 10.829 -1.418 16.592 416 HB3 ARG 55 2HB ARG 55 12.495 -1.545 16.019 417 HG2 ARG 55 1HG ARG 55 12.369 -2.041 18.890 418 HG3 ARG 55 2HG ARG 55 11.240 -3.102 18.030 419 HD2 ARG 55 1HD ARG 55 12.942 -4.182 16.848 420 HD3 ARG 55 2HD ARG 55 14.028 -2.786 16.943 421 HE ARG 55 HE ARG 55 14.642 -3.355 19.160 422 HH11 ARG 55 1HH1 ARG 55 12.527 -5.831 17.762 423 HH12 ARG 55 2HH1 ARG 55 12.995 -7.018 18.949 424 HH21 ARG 55 1HH2 ARG 55 15.211 -4.929 20.605 425 HH22 ARG 55 2HH2 ARG 55 14.477 -6.514 20.527 426 H GLY 56 H GLY 56 13.189 0.866 19.666 427 HA2 GLY 56 1HA GLY 56 15.895 1.221 18.660 428 HA3 GLY 56 2HA GLY 56 15.361 1.330 20.358 429 H GLY 57 H GLY 57 17.754 -0.002 19.828 430 HA2 GLY 57 1HA GLY 57 17.428 -2.771 19.218 431 HA3 GLY 57 2HA GLY 57 18.797 -2.066 20.108 432 H ASP 58 H ASP 58 17.636 -1.007 22.273 433 HA ASP 58 HA ASP 58 16.924 -3.353 23.876 434 HB2 ASP 58 1HB ASP 58 18.587 -1.490 24.469 435 HB3 ASP 58 2HB ASP 58 17.176 -0.465 24.741 436 H GLY 59 H GLY 59 15.108 -1.843 21.839 437 HA2 GLY 59 1HA GLY 59 12.798 -2.097 21.685 438 HA3 GLY 59 2HA GLY 59 12.701 -2.314 23.432 439 H LYS 60 H LYS 60 14.348 0.326 23.618 440 HA LYS 60 HA LYS 60 12.163 1.971 24.228 441 HB2 LYS 60 1HB LYS 60 15.103 2.492 23.766 442 HB3 LYS 60 2HB LYS 60 13.974 3.825 24.081 443 HG2 LYS 60 1HG LYS 60 14.448 3.413 26.261 444 HG3 LYS 60 2HG LYS 60 13.227 2.152 26.059 445 HD2 LYS 60 1HD LYS 60 14.981 1.078 27.165 446 HD3 LYS 60 2HD LYS 60 15.150 0.563 25.482 447 HE2 LYS 60 1HE LYS 60 17.162 1.562 25.256 448 HE3 LYS 60 2HE LYS 60 16.642 3.030 26.122 449 HZ1 LYS 60 1HZ LYS 60 18.344 1.814 27.368 450 HZ2 LYS 60 2HZ LYS 60 17.403 0.458 27.414 451 HZ3 LYS 60 3HZ LYS 60 16.928 1.821 28.214 452 H MET 61 H MET 61 10.977 3.337 23.226 453 HA MET 61 HA MET 61 11.416 3.695 20.311 454 HB2 MET 61 1HB MET 61 9.023 3.248 19.977 455 HB3 MET 61 2HB MET 61 9.899 1.889 20.674 456 HG2 MET 61 1HG MET 61 9.067 2.600 22.951 457 HG3 MET 61 2HG MET 61 7.998 3.752 22.121 458 HE1 MET 61 1HE MET 61 6.012 3.106 20.744 459 HE2 MET 61 2HE MET 61 5.614 1.479 20.179 460 HE3 MET 61 3HE MET 61 7.068 2.305 19.558 461 H LYS 62 H LYS 62 9.021 5.087 19.778 462 HA LYS 62 HA LYS 62 9.484 7.702 21.172 463 HB2 LYS 62 1HB LYS 62 9.777 6.910 18.358 464 HB3 LYS 62 2HB LYS 62 8.633 8.228 18.533 465 HG2 LYS 62 1HG LYS 62 10.946 8.958 18.051 466 HG3 LYS 62 2HG LYS 62 10.280 9.643 19.547 467 HD2 LYS 62 1HD LYS 62 11.532 8.132 20.902 468 HD3 LYS 62 2HD LYS 62 12.048 7.198 19.492 469 HE2 LYS 62 1HE LYS 62 13.407 9.024 18.692 470 HE3 LYS 62 2HE LYS 62 12.727 10.125 19.916 471 HZ1 LYS 62 1HZ LYS 62 14.893 9.315 20.604 472 HZ2 LYS 62 2HZ LYS 62 14.395 7.744 20.507 473 HZ3 LYS 62 3HZ LYS 62 13.738 8.749 21.637 474 H ASP 63 H ASP 63 7.332 6.134 18.847 475 HA ASP 63 HA ASP 63 5.088 6.192 18.525 476 HB2 ASP 63 1HB ASP 63 5.661 5.215 21.104 477 HB3 ASP 63 2HB ASP 63 4.222 6.206 21.306 478 H LEU 64 H LEU 64 5.914 8.631 18.054 479 HA LEU 64 HA LEU 64 4.693 10.678 19.665 480 HB2 LEU 64 1HB LEU 64 5.904 10.511 16.945 481 HB3 LEU 64 2HB LEU 64 4.775 11.823 17.220 482 HG LEU 64 HG LEU 64 7.080 12.548 17.487 483 HD11 LEU 64 1HD1 LEU 64 6.835 13.741 19.579 484 HD12 LEU 64 2HD1 LEU 64 5.648 12.561 20.175 485 HD13 LEU 64 3HD1 LEU 64 5.243 13.619 18.803 486 HD21 LEU 64 1HD2 LEU 64 8.471 11.823 19.354 487 HD22 LEU 64 2HD2 LEU 64 8.073 10.450 18.300 488 HD23 LEU 64 3HD2 LEU 64 7.233 10.648 19.858 489 H SER 65 H SER 65 2.792 11.653 19.600 490 HA SER 65 HA SER 65 0.493 10.296 18.783 491 HB2 SER 65 1HB SER 65 0.189 13.206 18.944 492 HB3 SER 65 2HB SER 65 -0.456 11.937 20.011 493 HG SER 65 HG SER 65 0.993 13.129 21.204 494 HA PRO 66 HA PRO 66 0.009 11.248 14.608 495 HB2 PRO 66 1HB PRO 66 -2.668 11.672 14.204 496 HB3 PRO 66 2HB PRO 66 -1.985 10.059 14.594 497 HG2 PRO 66 1HG PRO 66 -3.207 12.086 16.458 498 HG3 PRO 66 2HG PRO 66 -3.595 10.344 16.278 499 HD2 PRO 66 1HD PRO 66 -1.935 11.201 18.209 500 HD3 PRO 66 2HD PRO 66 -1.590 9.678 17.317 501 H ARG 67 H ARG 67 0.437 12.861 13.334 502 HA ARG 67 HA ARG 67 -0.722 15.541 13.957 503 HB2 ARG 67 1HB ARG 67 1.820 15.107 12.385 504 HB3 ARG 67 2HB ARG 67 1.255 16.562 13.212 505 HG2 ARG 67 1HG ARG 67 1.544 15.169 15.375 506 HG3 ARG 67 2HG ARG 67 2.506 14.087 14.340 507 HD2 ARG 67 1HD ARG 67 4.040 15.563 15.331 508 HD3 ARG 67 2HD ARG 67 3.832 16.117 13.658 509 HE ARG 67 HE ARG 67 1.972 17.528 15.268 510 HH11 ARG 67 1HH1 ARG 67 5.496 17.377 14.951 511 HH12 ARG 67 2HH1 ARG 67 5.697 19.014 15.525 512 HH21 ARG 67 1HH2 ARG 67 2.326 19.599 15.957 513 HH22 ARG 67 2HH2 ARG 67 3.949 20.247 16.104 514 H TRP 68 H TRP 68 -1.164 16.820 12.014 515 HA TRP 68 HA TRP 68 -1.476 15.126 9.566 516 HB2 TRP 68 1HB TRP 68 -3.476 16.993 10.858 517 HB3 TRP 68 2HB TRP 68 -3.595 16.475 9.170 518 HD1 TRP 68 HD1 TRP 68 -3.571 14.886 12.723 519 HE1 TRP 68 HE1 TRP 68 -4.857 12.692 12.697 520 HE3 TRP 68 HE3 TRP 68 -4.536 14.685 7.712 521 HZ2 TRP 68 HZ2 TRP 68 -6.042 11.002 10.734 522 HZ3 TRP 68 HZ3 TRP 68 -5.839 12.757 6.811 523 HH2 TRP 68 HH2 TRP 68 -6.591 10.936 8.331 524 H TYR 69 H TYR 69 -0.674 15.961 7.797 525 HA TYR 69 HA TYR 69 0.178 18.854 7.797 526 HB2 TYR 69 1HB TYR 69 1.169 16.387 6.300 527 HB3 TYR 69 2HB TYR 69 1.680 18.031 5.928 528 HD1 TYR 69 HD1 TYR 69 1.800 15.390 8.637 529 HD2 TYR 69 HD2 TYR 69 3.419 19.121 7.165 530 HE1 TYR 69 HE1 TYR 69 3.711 15.205 10.213 531 HE2 TYR 69 HE2 TYR 69 5.320 18.904 8.755 532 HH TYR 69 HH TYR 69 5.661 16.112 10.952 533 H PHE 70 H PHE 70 -0.114 19.851 5.523 534 HA PHE 70 HA PHE 70 -2.502 18.659 4.185 535 HB2 PHE 70 1HB PHE 70 -2.927 20.894 5.098 536 HB3 PHE 70 2HB PHE 70 -1.521 21.529 4.236 537 HD1 PHE 70 HD1 PHE 70 -4.817 19.827 3.655 538 HD2 PHE 70 HD2 PHE 70 -1.761 22.373 2.028 539 HE1 PHE 70 HE1 PHE 70 -6.278 20.321 1.692 540 HE2 PHE 70 HE2 PHE 70 -3.215 22.873 0.062 541 HZ PHE 70 HZ PHE 70 -5.484 21.856 -0.100 542 H TYR 71 H TYR 71 -2.380 18.183 2.082 543 HA TYR 71 HA TYR 71 0.144 18.824 0.621 544 HB2 TYR 71 1HB TYR 71 -1.015 16.209 1.458 545 HB3 TYR 71 2HB TYR 71 -0.329 16.302 -0.183 546 HD1 TYR 71 HD1 TYR 71 0.384 16.119 3.400 547 HD2 TYR 71 HD2 TYR 71 2.120 16.907 -0.459 548 HE1 TYR 71 HE1 TYR 71 2.671 15.800 4.355 549 HE2 TYR 71 HE2 TYR 71 4.401 16.620 0.512 550 HH TYR 71 HH TYR 71 4.918 15.861 3.963 551 H TYR 72 H TYR 72 -0.177 18.865 -1.638 552 HA TYR 72 HA TYR 72 -2.893 19.654 -2.335 553 HB2 TYR 72 1HB TYR 72 -0.271 19.683 -3.860 554 HB3 TYR 72 2HB TYR 72 -1.809 20.289 -4.492 555 HD1 TYR 72 HD1 TYR 72 0.830 20.858 -1.916 556 HD2 TYR 72 HD2 TYR 72 -2.790 22.370 -3.700 557 HE1 TYR 72 HE1 TYR 72 1.126 23.026 -0.716 558 HE2 TYR 72 HE2 TYR 72 -2.459 24.532 -2.518 559 HH TYR 72 HH TYR 72 -1.153 25.730 -1.095 560 H LEU 73 H LEU 73 -3.951 18.947 -4.314 561 HA LEU 73 HA LEU 73 -4.447 16.192 -4.308 562 HB2 LEU 73 1HB LEU 73 -5.603 18.348 -5.417 563 HB3 LEU 73 2HB LEU 73 -4.767 17.764 -6.842 564 HG LEU 73 HG LEU 73 -6.966 16.380 -5.284 565 HD11 LEU 73 1HD1 LEU 73 -8.248 16.706 -7.272 566 HD12 LEU 73 2HD1 LEU 73 -6.819 17.184 -8.201 567 HD13 LEU 73 3HD1 LEU 73 -7.450 18.250 -6.936 568 HD21 LEU 73 1HD2 LEU 73 -6.875 14.641 -7.111 569 HD22 LEU 73 2HD2 LEU 73 -5.542 14.573 -5.952 570 HD23 LEU 73 3HD2 LEU 73 -5.282 15.288 -7.563 571 H GLY 74 H GLY 74 -3.439 14.443 -5.159 572 HA2 GLY 74 1HA GLY 74 -2.114 13.182 -6.548 573 HA3 GLY 74 2HA GLY 74 -2.150 14.525 -7.692 574 H THR 75 H THR 75 -0.750 14.586 -4.372 575 HA THR 75 HA THR 75 1.801 15.423 -5.606 576 HB THR 75 HB THR 75 2.411 15.365 -2.994 577 HG1 THR 75 HG1 THR 75 -0.374 15.933 -2.895 578 HG21 THR 75 1HG2 THR 75 0.659 17.452 -4.341 579 HG22 THR 75 2HG2 THR 75 2.440 17.416 -4.253 580 HG23 THR 75 3HG2 THR 75 1.485 17.686 -2.781 581 H GLY 76 H GLY 76 3.727 14.289 -5.381 582 HA2 GLY 76 1HA GLY 76 5.027 12.407 -4.698 583 HA3 GLY 76 2HA GLY 76 3.554 11.501 -4.303 584 HA PRO 77 HA PRO 77 5.002 11.224 -8.881 585 HB2 PRO 77 1HB PRO 77 6.709 9.077 -9.002 586 HB3 PRO 77 2HB PRO 77 7.243 10.747 -8.667 587 HG2 PRO 77 1HG PRO 77 6.671 8.549 -6.701 588 HG3 PRO 77 2HG PRO 77 8.116 9.602 -6.828 589 HD2 PRO 77 1HD PRO 77 6.130 10.151 -5.088 590 HD3 PRO 77 2HD PRO 77 6.978 11.467 -5.977 591 H GLU 78 H GLU 78 4.671 8.291 -6.853 592 HA GLU 78 HA GLU 78 2.877 7.139 -8.961 593 HB2 GLU 78 1HB GLU 78 4.603 5.741 -6.883 594 HB3 GLU 78 2HB GLU 78 3.487 4.935 -7.993 595 HG2 GLU 78 1HG GLU 78 4.796 5.814 -9.909 596 HG3 GLU 78 2HG GLU 78 5.963 6.496 -8.757 597 H ALA 79 H ALA 79 2.093 9.048 -6.920 598 HA ALA 79 HA ALA 79 0.997 7.726 -4.644 599 HB1 ALA 79 1HB ALA 79 -0.384 9.771 -4.424 600 HB2 ALA 79 2HB ALA 79 0.126 10.280 -6.053 601 HB3 ALA 79 3HB ALA 79 1.324 10.139 -4.749 602 H GLY 80 H GLY 80 -0.330 8.427 -7.873 603 HA2 GLY 80 1HA GLY 80 -2.173 7.589 -8.967 604 HA3 GLY 80 2HA GLY 80 -2.030 6.180 -7.906 605 H LEU 81 H LEU 81 -2.635 9.426 -6.633 606 HA LEU 81 HA LEU 81 -5.256 8.426 -5.706 607 HB2 LEU 81 1HB LEU 81 -3.194 10.323 -4.620 608 HB3 LEU 81 2HB LEU 81 -4.851 10.406 -4.089 609 HG LEU 81 HG LEU 81 -3.096 7.975 -3.794 610 HD11 LEU 81 1HD1 LEU 81 -2.385 9.962 -2.457 611 HD12 LEU 81 2HD1 LEU 81 -2.929 8.608 -1.458 612 HD13 LEU 81 3HD1 LEU 81 -4.002 10.002 -1.714 613 HD21 LEU 81 1HD2 LEU 81 -4.875 7.146 -2.302 614 HD22 LEU 81 2HD2 LEU 81 -5.507 7.411 -3.937 615 HD23 LEU 81 3HD2 LEU 81 -5.850 8.583 -2.641 616 HA PRO 82 HA PRO 82 -6.942 11.915 -8.065 617 HB2 PRO 82 1HB PRO 82 -9.367 10.770 -8.513 618 HB3 PRO 82 2HB PRO 82 -7.928 10.298 -9.479 619 HG2 PRO 82 1HG PRO 82 -9.162 8.931 -7.106 620 HG3 PRO 82 2HG PRO 82 -8.598 8.227 -8.642 621 HD2 PRO 82 1HD PRO 82 -7.142 8.181 -6.377 622 HD3 PRO 82 2HD PRO 82 -6.422 8.197 -8.004 623 H TYR 83 H TYR 83 -8.956 13.210 -7.437 624 HA TYR 83 HA TYR 83 -9.022 13.561 -4.611 625 HB2 TYR 83 1HB TYR 83 -9.543 15.291 -6.331 626 HB3 TYR 83 2HB TYR 83 -11.055 14.449 -6.680 627 HD1 TYR 83 HD1 TYR 83 -9.188 16.439 -4.162 628 HD2 TYR 83 HD2 TYR 83 -12.954 14.599 -5.133 629 HE1 TYR 83 HE1 TYR 83 -10.280 17.687 -2.316 630 HE2 TYR 83 HE2 TYR 83 -14.038 15.850 -3.266 631 HH TYR 83 HH TYR 83 -13.751 17.308 -1.548 632 H GLY 84 H GLY 84 -10.280 12.706 -3.043 633 HA2 GLY 84 1HA GLY 84 -12.199 11.729 -2.128 634 HA3 GLY 84 2HA GLY 84 -12.800 11.367 -3.748 635 H ALA 85 H ALA 85 -9.672 10.259 -3.803 636 HA ALA 85 HA ALA 85 -10.499 7.538 -3.754 637 HB1 ALA 85 1HB ALA 85 -8.648 8.143 -5.044 638 HB2 ALA 85 2HB ALA 85 -8.040 7.077 -3.765 639 HB3 ALA 85 3HB ALA 85 -7.792 8.841 -3.658 640 H ASN 86 H ASN 86 -10.715 6.076 -2.258 641 HA ASN 86 HA ASN 86 -10.546 6.736 0.526 642 HB2 ASN 86 1HB ASN 86 -12.149 5.097 -0.405 643 HB3 ASN 86 2HB ASN 86 -10.804 4.040 -0.863 644 HD21 ASN 86 1HD2 ASN 86 -11.414 2.385 2.152 645 HD22 ASN 86 2HD2 ASN 86 -11.519 2.335 0.409 646 H LYS 87 H LYS 87 -8.764 6.856 1.750 647 HA LYS 87 HA LYS 87 -6.840 4.648 1.655 648 HB2 LYS 87 1HB LYS 87 -5.950 6.259 -0.004 649 HB3 LYS 87 2HB LYS 87 -5.945 7.514 1.221 650 HG2 LYS 87 1HG LYS 87 -4.159 6.565 2.415 651 HG3 LYS 87 2HG LYS 87 -4.434 4.944 1.740 652 HD2 LYS 87 1HD LYS 87 -3.527 7.281 0.085 653 HD3 LYS 87 2HD LYS 87 -2.388 6.214 0.914 654 HE2 LYS 87 1HE LYS 87 -4.513 5.154 -0.983 655 HE3 LYS 87 2HE LYS 87 -2.924 5.689 -1.562 656 HZ1 LYS 87 1HZ LYS 87 -3.387 3.541 0.419 657 HZ2 LYS 87 2HZ LYS 87 -1.913 4.029 -0.142 658 HZ3 LYS 87 3HZ LYS 87 -2.990 3.317 -1.167 659 H ASP 88 H ASP 88 -5.747 4.413 3.555 660 HA ASP 88 HA ASP 88 -7.067 5.419 5.901 661 HB2 ASP 88 1HB ASP 88 -5.938 3.198 5.738 662 HB3 ASP 88 2HB ASP 88 -4.378 4.024 5.601 663 H GLY 89 H GLY 89 -6.612 7.138 7.179 664 HA2 GLY 89 1HA GLY 89 -5.481 8.956 8.036 665 HA3 GLY 89 2HA GLY 89 -4.000 8.340 7.298 666 H ILE 90 H ILE 90 -6.796 8.971 5.264 667 HA ILE 90 HA ILE 90 -5.553 11.532 4.351 668 HB ILE 90 HB ILE 90 -6.654 9.283 2.577 669 HG12 ILE 90 1HG1 ILE 90 -4.402 8.794 3.464 670 HG13 ILE 90 2HG1 ILE 90 -4.417 9.013 1.721 671 HG21 ILE 90 1HG2 ILE 90 -5.794 10.770 0.675 672 HG22 ILE 90 2HG2 ILE 90 -5.648 12.077 1.872 673 HG23 ILE 90 3HG2 ILE 90 -7.233 11.364 1.520 674 HD11 ILE 90 1HD1 ILE 90 -3.628 11.279 3.540 675 HD12 ILE 90 2HD1 ILE 90 -3.284 11.032 1.812 676 HD13 ILE 90 3HD1 ILE 90 -2.486 10.010 3.025 677 H ILE 91 H ILE 91 -6.943 13.157 4.128 678 HA ILE 91 HA ILE 91 -9.833 12.502 3.714 679 HB ILE 91 HB ILE 91 -10.415 14.533 5.100 680 HG12 ILE 91 1HG1 ILE 91 -8.006 14.360 6.769 681 HG13 ILE 91 2HG1 ILE 91 -7.639 14.919 5.161 682 HG21 ILE 91 1HG2 ILE 91 -10.383 13.363 7.226 683 HG22 ILE 91 2HG2 ILE 91 -9.075 12.287 6.671 684 HG23 ILE 91 3HG2 ILE 91 -10.688 12.187 5.928 685 HD11 ILE 91 1HD1 ILE 91 -8.157 16.783 6.688 686 HD12 ILE 91 2HD1 ILE 91 -9.799 16.141 6.898 687 HD13 ILE 91 3HD1 ILE 91 -9.252 16.710 5.297 688 H TRP 92 H TRP 92 -10.487 13.311 1.845 689 HA TRP 92 HA TRP 92 -8.880 15.350 0.508 690 HB2 TRP 92 1HB TRP 92 -11.388 13.843 -0.284 691 HB3 TRP 92 2HB TRP 92 -10.514 14.968 -1.334 692 HD1 TRP 92 HD1 TRP 92 -10.324 11.454 0.061 693 HE1 TRP 92 HE1 TRP 92 -8.397 10.166 -0.961 694 HE3 TRP 92 HE3 TRP 92 -8.096 15.380 -2.339 695 HZ2 TRP 92 HZ2 TRP 92 -6.128 10.775 -2.567 696 HZ3 TRP 92 HZ3 TRP 92 -6.007 14.948 -3.638 697 HH2 TRP 92 HH2 TRP 92 -5.037 12.651 -3.756 698 H VAL 93 H VAL 93 -9.314 17.438 0.182 699 HA VAL 93 HA VAL 93 -11.994 18.500 0.910 700 HB VAL 93 HB VAL 93 -10.614 20.429 2.071 701 HG11 VAL 93 1HG1 VAL 93 -10.859 19.341 4.252 702 HG12 VAL 93 2HG1 VAL 93 -11.069 17.766 3.453 703 HG13 VAL 93 3HG1 VAL 93 -12.276 19.055 3.221 704 HG21 VAL 93 1HG2 VAL 93 -8.572 19.798 3.140 705 HG22 VAL 93 2HG2 VAL 93 -8.389 19.318 1.446 706 HG23 VAL 93 3HG2 VAL 93 -8.755 18.092 2.683 707 H ALA 94 H ALA 94 -12.436 20.535 -0.031 708 HA ALA 94 HA ALA 94 -10.485 21.777 -1.832 709 HB1 ALA 94 1HB ALA 94 -11.459 19.871 -3.190 710 HB2 ALA 94 2HB ALA 94 -11.836 21.480 -3.844 711 HB3 ALA 94 3HB ALA 94 -13.072 20.575 -2.933 712 H THR 95 H THR 95 -11.601 23.754 -2.777 713 HA THR 95 HA THR 95 -13.937 24.628 -1.144 714 HB THR 95 HB THR 95 -11.783 25.709 -0.318 715 HG1 THR 95 HG1 THR 95 -13.139 27.823 -1.441 716 HG21 THR 95 1HG2 THR 95 -10.705 27.390 -1.674 717 HG22 THR 95 2HG2 THR 95 -11.847 27.123 -3.010 718 HG23 THR 95 3HG2 THR 95 -10.678 25.858 -2.570 719 H GLU 96 H GLU 96 -14.998 26.520 -2.361 720 HA GLU 96 HA GLU 96 -15.596 25.631 -5.007 721 HB2 GLU 96 1HB GLU 96 -17.120 26.881 -3.465 722 HB3 GLU 96 2HB GLU 96 -16.157 28.338 -3.739 723 HG2 GLU 96 1HG GLU 96 -16.752 28.356 -6.085 724 HG3 GLU 96 2HG GLU 96 -17.539 26.774 -5.942 725 H GLY 97 H GLY 97 -14.847 26.263 -6.960 726 HA2 GLY 97 1HA GLY 97 -13.791 27.721 -8.492 727 HA3 GLY 97 2HA GLY 97 -13.017 28.578 -7.153 728 H ALA 98 H ALA 98 -12.512 25.498 -6.286 729 HA ALA 98 HA ALA 98 -9.801 25.538 -7.362 730 HB1 ALA 98 1HB ALA 98 -10.400 24.931 -5.012 731 HB2 ALA 98 2HB ALA 98 -9.396 23.738 -5.863 732 HB3 ALA 98 3HB ALA 98 -11.141 23.440 -5.646 733 H LEU 99 H LEU 99 -8.852 24.069 -8.778 734 HA LEU 99 HA LEU 99 -10.763 22.670 -10.557 735 HB2 LEU 99 1HB LEU 99 -7.799 23.233 -10.721 736 HB3 LEU 99 2HB LEU 99 -8.642 22.210 -11.866 737 HG LEU 99 HG LEU 99 -9.076 25.179 -11.474 738 HD11 LEU 99 1HD1 LEU 99 -8.120 25.229 -13.765 739 HD12 LEU 99 2HD1 LEU 99 -7.898 23.458 -13.700 740 HD13 LEU 99 3HD1 LEU 99 -6.991 24.524 -12.595 741 HD21 LEU 99 1HD2 LEU 99 -10.526 24.992 -13.496 742 HD22 LEU 99 2HD2 LEU 99 -11.219 24.185 -12.082 743 HD23 LEU 99 3HD2 LEU 99 -10.446 23.219 -13.367 744 H ASN 100 H ASN 100 -10.934 20.571 -10.835 745 HA ASN 100 HA ASN 100 -9.662 18.818 -8.848 746 HB2 ASN 100 1HB ASN 100 -12.093 18.653 -9.402 747 HB3 ASN 100 2HB ASN 100 -11.660 18.159 -11.045 748 HD21 ASN 100 1HD2 ASN 100 -12.078 14.912 -9.763 749 HD22 ASN 100 2HD2 ASN 100 -12.794 16.199 -10.701 750 H THR 101 H THR 101 -7.492 19.282 -9.816 751 HA THR 101 HA THR 101 -6.876 17.131 -11.747 752 HB THR 101 HB THR 101 -7.253 19.561 -12.851 753 HG1 THR 101 HG1 THR 101 -6.654 17.943 -14.150 754 HG21 THR 101 1HG2 THR 101 -5.201 20.800 -13.109 755 HG22 THR 101 2HG2 THR 101 -4.315 19.635 -12.094 756 HG23 THR 101 3HG2 THR 101 -5.589 20.672 -11.382 757 HA PRO 102 HA PRO 102 -3.504 16.775 -8.896 758 HB2 PRO 102 1HB PRO 102 -1.472 15.826 -10.454 759 HB3 PRO 102 2HB PRO 102 -2.875 14.811 -9.976 760 HG2 PRO 102 1HG PRO 102 -2.395 16.345 -12.523 761 HG3 PRO 102 2HG PRO 102 -2.910 14.639 -12.313 762 HD2 PRO 102 1HD PRO 102 -4.687 16.587 -12.822 763 HD3 PRO 102 2HD PRO 102 -5.076 15.260 -11.677 764 H LYS 103 H LYS 103 -1.654 17.841 -8.116 765 HA LYS 103 HA LYS 103 -0.204 19.654 -9.923 766 HB2 LYS 103 1HB LYS 103 -0.672 21.629 -8.379 767 HB3 LYS 103 2HB LYS 103 -1.918 21.128 -9.504 768 HG2 LYS 103 1HG LYS 103 -2.927 19.788 -7.461 769 HG3 LYS 103 2HG LYS 103 -1.878 20.836 -6.498 770 HD2 LYS 103 1HD LYS 103 -3.981 21.940 -6.586 771 HD3 LYS 103 2HD LYS 103 -2.935 22.791 -7.733 772 HE2 LYS 103 1HE LYS 103 -3.947 21.141 -9.510 773 HE3 LYS 103 2HE LYS 103 -5.207 20.866 -8.304 774 HZ1 LYS 103 1HZ LYS 103 -4.493 23.557 -9.309 775 HZ2 LYS 103 2HZ LYS 103 -5.834 23.135 -8.439 776 HZ3 LYS 103 3HZ LYS 103 -5.672 22.619 -9.993 777 H ASP 104 H ASP 104 1.014 17.603 -8.953 778 HA ASP 104 HA ASP 104 2.188 17.713 -6.384 779 HB2 ASP 104 1HB ASP 104 2.405 15.828 -8.018 780 HB3 ASP 104 2HB ASP 104 3.500 16.831 -8.977 781 H HIS 105 H HIS 105 2.855 19.613 -9.245 782 HA HIS 105 HA HIS 105 5.483 20.454 -8.656 783 HB2 HIS 105 1HB HIS 105 5.208 22.080 -10.317 784 HB3 HIS 105 2HB HIS 105 4.130 20.773 -10.813 785 HD1 HIS 105 HD1 HIS 105 4.156 24.334 -9.489 786 HD2 HIS 105 HD2 HIS 105 1.361 21.478 -10.772 787 HE1 HIS 105 HE1 HIS 105 1.925 25.546 -9.780 788 H ILE 106 H ILE 106 2.673 21.209 -6.867 789 HA ILE 106 HA ILE 106 3.789 23.796 -5.932 790 HB ILE 106 HB ILE 106 1.245 22.353 -5.039 791 HG12 ILE 106 1HG1 ILE 106 1.601 24.613 -7.049 792 HG13 ILE 106 2HG1 ILE 106 1.229 22.939 -7.461 793 HG21 ILE 106 1HG2 ILE 106 0.623 24.573 -4.091 794 HG22 ILE 106 2HG2 ILE 106 2.148 25.274 -4.675 795 HG23 ILE 106 3HG2 ILE 106 2.156 24.039 -3.399 796 HD11 ILE 106 1HD1 ILE 106 -0.793 24.135 -7.575 797 HD12 ILE 106 2HD1 ILE 106 -0.525 24.896 -5.993 798 HD13 ILE 106 3HD1 ILE 106 -0.867 23.148 -6.097 799 H GLY 107 H GLY 107 3.102 20.465 -4.797 800 HA2 GLY 107 1HA GLY 107 3.833 21.003 -2.073 801 HA3 GLY 107 2HA GLY 107 3.585 19.422 -2.811 802 H THR 108 H THR 108 5.972 21.352 -4.358 803 HA THR 108 HA THR 108 8.050 19.512 -3.382 804 HB THR 108 HB THR 108 7.730 19.913 -5.823 805 HG1 THR 108 HG1 THR 108 10.193 20.795 -4.702 806 HG21 THR 108 1HG2 THR 108 7.112 22.335 -5.709 807 HG22 THR 108 2HG2 THR 108 8.430 22.007 -6.850 808 HG23 THR 108 3HG2 THR 108 8.792 22.716 -5.264 809 H ARG 109 H ARG 109 6.990 21.805 -1.641 810 HA ARG 109 HA ARG 109 8.900 23.896 -1.511 811 HB2 ARG 109 1HB ARG 109 6.770 23.828 -0.166 812 HB3 ARG 109 2HB ARG 109 7.508 22.583 0.850 813 HG2 ARG 109 1HG ARG 109 9.371 24.262 1.373 814 HG3 ARG 109 2HG ARG 109 8.396 25.488 0.562 815 HD2 ARG 109 1HD ARG 109 8.110 25.560 3.007 816 HD3 ARG 109 2HD ARG 109 6.600 25.150 2.190 817 HE ARG 109 HE ARG 109 6.640 23.018 3.112 818 HH11 ARG 109 1HH1 ARG 109 9.713 24.619 3.933 819 HH12 ARG 109 2HH1 ARG 109 10.101 23.383 5.097 820 HH21 ARG 109 1HH2 ARG 109 7.212 21.558 4.584 821 HH22 ARG 109 2HH2 ARG 109 8.727 21.677 5.457 822 H ASN 110 H ASN 110 10.941 24.043 -0.867 823 HA ASN 110 HA ASN 110 12.282 21.560 0.053 824 HB2 ASN 110 1HB ASN 110 13.349 24.258 -0.855 825 HB3 ASN 110 2HB ASN 110 14.359 22.876 -0.439 826 HD21 ASN 110 1HD2 ASN 110 13.372 21.060 -3.405 827 HD22 ASN 110 2HD2 ASN 110 13.613 20.793 -1.697 828 HA PRO 111 HA PRO 111 12.016 23.558 4.039 829 HB2 PRO 111 1HB PRO 111 13.456 21.800 5.559 830 HB3 PRO 111 2HB PRO 111 11.790 21.447 4.994 831 HG2 PRO 111 1HG PRO 111 14.412 20.602 3.766 832 HG3 PRO 111 2HG PRO 111 12.985 19.598 4.173 833 HD2 PRO 111 1HD PRO 111 13.384 20.490 1.676 834 HD3 PRO 111 2HD PRO 111 11.732 20.429 2.385 835 H ALA 112 H ALA 112 14.947 22.697 2.361 836 HA ALA 112 HA ALA 112 16.772 24.119 4.081 837 HB1 ALA 112 1HB ALA 112 17.519 22.309 2.578 838 HB2 ALA 112 2HB ALA 112 18.334 23.835 2.162 839 HB3 ALA 112 3HB ALA 112 16.989 23.247 1.156 840 H ASN 113 H ASN 113 14.651 25.017 1.419 841 HA ASN 113 HA ASN 113 16.053 27.619 1.126 842 HB2 ASN 113 1HB ASN 113 13.875 26.340 -0.565 843 HB3 ASN 113 2HB ASN 113 14.672 27.877 -0.903 844 HD21 ASN 113 1HD2 ASN 113 16.232 24.873 -2.693 845 HD22 ASN 113 2HD2 ASN 113 14.554 25.244 -2.384 846 H ASN 114 H ASN 114 13.039 26.234 2.326 847 HA ASN 114 HA ASN 114 12.267 28.922 3.261 848 HB2 ASN 114 1HB ASN 114 11.193 28.914 1.135 849 HB3 ASN 114 2HB ASN 114 10.564 27.268 1.380 850 HD21 ASN 114 1HD2 ASN 114 7.736 28.341 3.030 851 HD22 ASN 114 2HD2 ASN 114 8.580 27.146 2.074 852 H ALA 115 H ALA 115 10.964 28.981 4.997 853 HA ALA 115 HA ALA 115 10.724 26.482 6.523 854 HB1 ALA 115 1HB ALA 115 11.507 28.563 7.611 855 HB2 ALA 115 2HB ALA 115 9.996 27.981 8.351 856 HB3 ALA 115 3HB ALA 115 9.957 29.352 7.219 857 H ALA 116 H ALA 116 8.794 25.580 7.268 858 HA ALA 116 HA ALA 116 6.534 25.744 5.527 859 HB1 ALA 116 1HB ALA 116 7.140 23.701 6.817 860 HB2 ALA 116 2HB ALA 116 5.463 24.211 7.095 861 HB3 ALA 116 3HB ALA 116 6.705 24.548 8.322 862 H ILE 117 H ILE 117 4.603 26.720 5.725 863 HA ILE 117 HA ILE 117 4.485 29.122 7.404 864 HB ILE 117 HB ILE 117 2.432 27.916 5.503 865 HG12 ILE 117 1HG1 ILE 117 4.199 30.212 4.718 866 HG13 ILE 117 2HG1 ILE 117 4.839 28.575 4.607 867 HG21 ILE 117 1HG2 ILE 117 1.573 30.261 5.331 868 HG22 ILE 117 2HG2 ILE 117 2.760 30.769 6.553 869 HG23 ILE 117 3HG2 ILE 117 1.454 29.637 6.982 870 HD11 ILE 117 1HD1 ILE 117 3.880 29.271 2.485 871 HD12 ILE 117 2HD1 ILE 117 2.307 29.537 3.267 872 HD13 ILE 117 3HD1 ILE 117 2.988 27.890 3.173 873 H VAL 118 H VAL 118 3.162 29.376 9.245 874 HA VAL 118 HA VAL 118 2.101 27.043 10.530 875 HB VAL 118 HB VAL 118 2.544 28.806 12.007 876 HG11 VAL 118 1HG1 VAL 118 1.552 31.071 11.832 877 HG12 VAL 118 2HG1 VAL 118 0.949 30.647 10.213 878 HG13 VAL 118 3HG1 VAL 118 2.700 30.688 10.539 879 HG21 VAL 118 1HG2 VAL 118 0.405 29.357 13.071 880 HG22 VAL 118 2HG2 VAL 118 0.361 27.682 12.483 881 HG23 VAL 118 3HG2 VAL 118 -0.479 28.967 11.585 882 H LEU 119 H LEU 119 0.301 25.937 10.125 883 HA LEU 119 HA LEU 119 -1.291 26.613 7.843 884 HB2 LEU 119 1HB LEU 119 -0.792 24.324 8.800 885 HB3 LEU 119 2HB LEU 119 -1.969 24.664 10.057 886 HG LEU 119 HG LEU 119 -2.769 24.888 7.165 887 HD11 LEU 119 1HD1 LEU 119 -3.223 22.569 6.964 888 HD12 LEU 119 2HD1 LEU 119 -2.828 22.261 8.667 889 HD13 LEU 119 3HD1 LEU 119 -1.543 22.702 7.518 890 HD21 LEU 119 1HD2 LEU 119 -4.528 25.558 8.653 891 HD22 LEU 119 2HD2 LEU 119 -4.241 24.197 9.746 892 HD23 LEU 119 3HD2 LEU 119 -4.951 23.918 8.147 893 H GLN 120 H GLN 120 -3.049 27.813 7.657 894 HA GLN 120 HA GLN 120 -4.572 28.625 10.103 895 HB2 GLN 120 1HB GLN 120 -3.707 30.306 7.727 896 HB3 GLN 120 2HB GLN 120 -4.897 30.823 8.929 897 HG2 GLN 120 1HG GLN 120 -3.314 31.095 10.588 898 HG3 GLN 120 2HG GLN 120 -2.180 29.970 9.839 899 HE21 GLN 120 1HE2 GLN 120 -0.645 32.339 7.774 900 HE22 GLN 120 2HE2 GLN 120 -0.864 30.640 8.139 901 H LEU 121 H LEU 121 -6.813 28.981 9.637 902 HA LEU 121 HA LEU 121 -7.685 27.691 7.082 903 HB2 LEU 121 1HB LEU 121 -8.774 27.629 9.895 904 HB3 LEU 121 2HB LEU 121 -9.870 27.449 8.534 905 HG LEU 121 HG LEU 121 -7.503 25.620 9.047 906 HD11 LEU 121 1HD1 LEU 121 -9.316 23.999 9.692 907 HD12 LEU 121 2HD1 LEU 121 -10.459 25.354 9.674 908 HD13 LEU 121 3HD1 LEU 121 -9.105 25.357 10.820 909 HD21 LEU 121 1HD2 LEU 121 -8.665 24.130 7.430 910 HD22 LEU 121 2HD2 LEU 121 -8.174 25.655 6.687 911 HD23 LEU 121 3HD2 LEU 121 -9.862 25.408 7.130 912 HA PRO 122 HA PRO 122 -9.354 31.601 6.156 913 HB2 PRO 122 1HB PRO 122 -11.406 31.029 4.470 914 HB3 PRO 122 2HB PRO 122 -9.679 30.730 4.030 915 HG2 PRO 122 1HG PRO 122 -11.715 28.818 5.140 916 HG3 PRO 122 2HG PRO 122 -10.676 28.633 3.695 917 HD2 PRO 122 1HD PRO 122 -10.003 27.552 6.056 918 HD3 PRO 122 2HD PRO 122 -8.763 28.264 4.967 919 H GLN 123 H GLN 123 -11.378 32.952 6.124 920 HA GLN 123 HA GLN 123 -12.605 32.942 8.647 921 HB2 GLN 123 1HB GLN 123 -12.428 34.862 7.036 922 HB3 GLN 123 2HB GLN 123 -13.695 34.113 6.057 923 HG2 GLN 123 1HG GLN 123 -15.281 34.325 7.937 924 HG3 GLN 123 2HG GLN 123 -14.011 35.061 8.927 925 HE21 GLN 123 1HE2 GLN 123 -16.163 37.708 7.375 926 HE22 GLN 123 2HE2 GLN 123 -16.492 36.289 8.339 927 H GLY 124 H GLY 124 -14.291 31.912 9.527 928 HA2 GLY 124 1HA GLY 124 -16.397 30.877 9.563 929 HA3 GLY 124 2HA GLY 124 -16.358 30.718 7.802 930 H THR 125 H THR 125 -13.394 29.599 8.429 931 HA THR 125 HA THR 125 -14.427 26.830 8.889 932 HB THR 125 HB THR 125 -11.793 27.604 7.594 933 HG1 THR 125 HG1 THR 125 -13.664 28.426 6.463 934 HG21 THR 125 1HG2 THR 125 -13.505 25.079 7.529 935 HG22 THR 125 2HG2 THR 125 -11.956 25.262 8.348 936 HG23 THR 125 3HG2 THR 125 -12.032 25.345 6.582 937 H THR 126 H THR 126 -13.881 25.810 10.687 938 HA THR 126 HA THR 126 -11.556 26.815 12.262 939 HB THR 126 HB THR 126 -12.970 26.067 14.277 940 HG1 THR 126 HG1 THR 126 -15.203 26.034 13.885 941 HG21 THR 126 1HG2 THR 126 -14.150 28.194 14.402 942 HG22 THR 126 2HG2 THR 126 -13.993 28.418 12.644 943 HG23 THR 126 3HG2 THR 126 -12.544 28.439 13.681 944 H LEU 127 H LEU 127 -10.435 25.302 13.478 945 HA LEU 127 HA LEU 127 -10.326 22.630 12.369 946 HB2 LEU 127 1HB LEU 127 -9.204 23.740 14.947 947 HB3 LEU 127 2HB LEU 127 -8.795 22.187 14.286 948 HG LEU 127 HG LEU 127 -8.124 24.800 12.914 949 HD11 LEU 127 1HD1 LEU 127 -5.848 24.458 13.757 950 HD12 LEU 127 2HD1 LEU 127 -6.379 23.007 14.644 951 HD13 LEU 127 3HD1 LEU 127 -6.997 24.610 15.105 952 HD21 LEU 127 1HD2 LEU 127 -6.548 23.390 11.634 953 HD22 LEU 127 2HD2 LEU 127 -8.220 22.850 11.414 954 HD23 LEU 127 3HD2 LEU 127 -7.137 21.945 12.493 955 HA PRO 128 HA PRO 128 -13.408 20.959 15.049 956 HB2 PRO 128 1HB PRO 128 -12.757 18.320 15.214 957 HB3 PRO 128 2HB PRO 128 -13.334 19.067 13.694 958 HG2 PRO 128 1HG PRO 128 -10.553 18.439 14.565 959 HG3 PRO 128 2HG PRO 128 -11.339 18.143 12.988 960 HD2 PRO 128 1HD PRO 128 -9.678 20.278 13.513 961 HD3 PRO 128 2HD PRO 128 -10.983 20.346 12.297 962 H LYS 129 H LYS 129 -13.688 19.746 17.178 963 HA LYS 129 HA LYS 129 -12.047 20.993 19.132 964 HB2 LYS 129 1HB LYS 129 -14.420 20.171 19.419 965 HB3 LYS 129 2HB LYS 129 -13.771 18.528 19.541 966 HG2 LYS 129 1HG LYS 129 -12.427 19.228 21.505 967 HG3 LYS 129 2HG LYS 129 -13.112 20.861 21.375 968 HD2 LYS 129 1HD LYS 129 -15.390 19.855 21.634 969 HD3 LYS 129 2HD LYS 129 -14.617 18.287 21.942 970 HE2 LYS 129 1HE LYS 129 -14.244 20.839 23.574 971 HE3 LYS 129 2HE LYS 129 -15.217 19.437 24.052 972 HZ1 LYS 129 1HZ LYS 129 -13.041 19.403 25.097 973 HZ2 LYS 129 2HZ LYS 129 -12.279 19.424 23.636 974 HZ3 LYS 129 3HZ LYS 129 -13.180 18.115 24.075 975 H GLY 130 H GLY 130 -10.183 20.449 20.066 976 HA2 GLY 130 1HA GLY 130 -8.636 18.940 21.030 977 HA3 GLY 130 2HA GLY 130 -9.293 17.627 20.049 978 H PHE 131 H PHE 131 -8.944 20.112 17.900 979 HA PHE 131 HA PHE 131 -6.244 19.171 17.115 980 HB2 PHE 131 1HB PHE 131 -8.737 19.790 15.716 981 HB3 PHE 131 2HB PHE 131 -7.371 20.699 15.071 982 HD1 PHE 131 HD1 PHE 131 -8.900 17.402 15.426 983 HD2 PHE 131 HD2 PHE 131 -5.434 19.558 14.126 984 HE1 PHE 131 HE1 PHE 131 -8.185 15.436 14.100 985 HE2 PHE 131 HE2 PHE 131 -4.681 17.569 12.814 986 HZ PHE 131 HZ PHE 131 -6.073 15.514 12.801 987 H TYR 132 H TYR 132 -4.637 20.575 16.938 988 HA TYR 132 HA TYR 132 -5.220 23.470 16.839 989 HB2 TYR 132 1HB TYR 132 -3.627 24.044 18.541 990 HB3 TYR 132 2HB TYR 132 -4.839 22.966 19.229 991 HD1 TYR 132 HD1 TYR 132 -4.220 20.637 19.903 992 HD2 TYR 132 HD2 TYR 132 -1.282 23.363 18.318 993 HE1 TYR 132 HE1 TYR 132 -2.396 19.208 20.808 994 HE2 TYR 132 HE2 TYR 132 0.536 21.914 19.221 995 HH TYR 132 HH TYR 132 -0.145 18.979 21.127 996 H ALA 133 H ALA 133 -3.295 24.699 16.131 997 HA ALA 133 HA ALA 133 -1.777 23.042 14.186 998 HB1 ALA 133 1HB ALA 133 -3.314 24.718 13.205 999 HB2 ALA 133 2HB ALA 133 -1.618 25.113 12.842 1000 HB3 ALA 133 3HB ALA 133 -2.485 26.008 14.109 1001 H GLU 134 H GLU 134 0.398 23.119 13.997 1002 HA GLU 134 HA GLU 134 1.927 24.221 16.207 1003 HB2 GLU 134 1HB GLU 134 2.549 22.142 15.038 1004 HB3 GLU 134 2HB GLU 134 2.752 23.031 13.538 1005 HG2 GLU 134 1HG GLU 134 4.911 22.616 14.424 1006 HG3 GLU 134 2HG GLU 134 4.584 24.344 14.635 1007 H GLY 135 H GLY 135 3.304 26.013 16.175 1008 HA2 GLY 135 1HA GLY 135 4.358 27.888 15.164 1009 HA3 GLY 135 2HA GLY 135 3.309 27.720 13.745 1010 H SER 136 H SER 136 0.827 27.496 15.157 1011 HA SER 136 HA SER 136 0.292 30.268 15.748 1012 HB2 SER 136 1HB SER 136 -1.364 28.781 14.629 1013 HB3 SER 136 2HB SER 136 -1.440 27.784 16.099 1014 HG SER 136 HG SER 136 -3.114 29.381 15.971 1015 H ARG 137 H ARG 137 -0.070 31.170 17.661 1016 HA ARG 137 HA ARG 137 -0.098 29.624 20.190 1017 HB2 ARG 137 1HB ARG 137 1.996 31.719 19.439 1018 HB3 ARG 137 2HB ARG 137 1.509 31.450 21.109 1019 HG2 ARG 137 1HG ARG 137 3.342 30.093 21.076 1020 HG3 ARG 137 2HG ARG 137 2.131 28.912 20.545 1021 HD2 ARG 137 1HD ARG 137 2.751 29.376 18.189 1022 HD3 ARG 137 2HD ARG 137 3.937 30.559 18.732 1023 HE ARG 137 HE ARG 137 5.379 28.848 19.371 1024 HH11 ARG 137 1HH1 ARG 137 2.276 27.379 18.433 1025 HH12 ARG 137 2HH1 ARG 137 3.006 25.783 18.330 1026 HH21 ARG 137 1HH2 ARG 137 6.167 26.775 19.197 1027 HH22 ARG 137 2HH2 ARG 137 5.118 25.460 18.707 1028 H GLY 138 H GLY 138 -0.863 31.222 21.921 1029 HA2 GLY 138 1HA GLY 138 -2.031 33.145 22.556 1030 HA3 GLY 138 2HA GLY 138 -2.009 33.719 20.882 1031 H GLY 139 H GLY 139 -3.050 30.500 21.726 1032 HA2 GLY 139 1HA GLY 139 -5.889 31.276 21.203 1033 HA3 GLY 139 2HA GLY 139 -5.168 29.730 20.690 1034 H SER 140 H SER 140 -7.237 29.184 22.136 1035 HA SER 140 HA SER 140 -6.233 28.615 24.884 1036 HB2 SER 140 1HB SER 140 -9.061 29.461 24.141 1037 HB3 SER 140 2HB SER 140 -8.461 29.076 25.768 1038 HG SER 140 HG SER 140 -8.469 31.311 25.482 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 5.364 -3.238 7.056 2 H2 GLY 1 2H GLY 1 5.570 -2.854 5.464 3 H3 GLY 1 3H GLY 1 4.221 -2.348 6.265 4 HA2 GLY 1 1HA GLY 1 5.537 -0.947 7.710 5 HA3 GLY 1 2HA GLY 1 6.980 -1.478 6.819 6 H ALA 2 H ALA 2 7.400 0.792 6.219 7 HA ALA 2 HA ALA 2 5.450 2.195 4.585 8 HB1 ALA 2 1HB ALA 2 7.291 3.384 5.809 9 HB2 ALA 2 2HB ALA 2 7.356 3.696 4.059 10 HB3 ALA 2 3HB ALA 2 8.491 2.538 4.795 11 H MET 3 H MET 3 5.502 2.339 2.267 12 HA MET 3 HA MET 3 7.066 0.179 0.900 13 HB2 MET 3 1HB MET 3 4.209 1.039 0.308 14 HB3 MET 3 2HB MET 3 5.124 -0.216 -0.538 15 HG2 MET 3 1HG MET 3 5.244 -1.505 1.600 16 HG3 MET 3 2HG MET 3 4.207 -0.286 2.358 17 HE1 MET 3 1HE MET 3 0.761 -0.796 0.569 18 HE2 MET 3 2HE MET 3 1.983 0.423 0.143 19 HE3 MET 3 3HE MET 3 1.651 0.053 1.854 20 H GLY 4 H GLY 4 7.767 2.944 1.304 21 HA2 GLY 4 1HA GLY 4 8.802 3.925 -0.912 22 HA3 GLY 4 2HA GLY 4 7.086 4.337 -1.190 23 H LEU 5 H LEU 5 9.761 5.737 -0.222 24 HA LEU 5 HA LEU 5 8.501 7.245 2.027 25 HB2 LEU 5 1HB LEU 5 11.400 6.737 1.303 26 HB3 LEU 5 2HB LEU 5 10.912 8.050 2.357 27 HG LEU 5 HG LEU 5 9.891 6.359 3.907 28 HD11 LEU 5 1HD1 LEU 5 10.825 4.035 3.802 29 HD12 LEU 5 2HD1 LEU 5 11.405 4.385 2.157 30 HD13 LEU 5 3HD1 LEU 5 9.663 4.395 2.514 31 HD21 LEU 5 1HD2 LEU 5 12.080 5.782 4.888 32 HD22 LEU 5 2HD2 LEU 5 12.064 7.452 4.284 33 HD23 LEU 5 3HD2 LEU 5 12.876 6.176 3.346 34 HA PRO 6 HA PRO 6 8.521 10.495 -1.003 35 HB2 PRO 6 1HB PRO 6 8.151 12.714 0.537 36 HB3 PRO 6 2HB PRO 6 6.843 11.509 0.294 37 HG2 PRO 6 1HG PRO 6 8.776 11.772 2.590 38 HG3 PRO 6 2HG PRO 6 6.991 11.607 2.634 39 HD2 PRO 6 1HD PRO 6 8.659 9.480 2.980 40 HD3 PRO 6 2HD PRO 6 7.077 9.320 2.137 41 H ASN 7 H ASN 7 9.959 12.150 -1.789 42 HA ASN 7 HA ASN 7 12.508 12.380 -0.228 43 HB2 ASN 7 1HB ASN 7 12.676 10.842 -2.178 44 HB3 ASN 7 2HB ASN 7 12.206 12.169 -3.248 45 HD21 ASN 7 1HD2 ASN 7 15.540 12.999 -3.672 46 HD22 ASN 7 2HD2 ASN 7 13.979 12.656 -4.375 47 H ASN 8 H ASN 8 10.864 13.904 -3.059 48 HA ASN 8 HA ASN 8 12.018 16.517 -2.195 49 HB2 ASN 8 1HB ASN 8 11.650 17.196 -4.502 50 HB3 ASN 8 2HB ASN 8 12.520 15.654 -4.489 51 HD21 ASN 8 1HD2 ASN 8 9.181 15.931 -6.589 52 HD22 ASN 8 2HD2 ASN 8 10.133 17.286 -6.030 53 H THR 9 H THR 9 9.304 15.056 -1.372 54 HA THR 9 HA THR 9 7.548 17.369 -2.074 55 HB THR 9 HB THR 9 5.640 15.732 -1.885 56 HG1 THR 9 HG1 THR 9 6.742 14.135 -0.694 57 HG21 THR 9 1HG2 THR 9 5.970 14.744 -4.070 58 HG22 THR 9 2HG2 THR 9 7.729 14.946 -3.957 59 HG23 THR 9 3HG2 THR 9 6.673 16.374 -4.086 60 H ALA 10 H ALA 10 8.003 18.571 -0.211 61 HA ALA 10 HA ALA 10 7.059 17.331 2.335 62 HB1 ALA 10 1HB ALA 10 9.372 18.331 2.280 63 HB2 ALA 10 2HB ALA 10 8.283 19.083 3.469 64 HB3 ALA 10 3HB ALA 10 8.625 19.909 1.930 65 H SER 11 H SER 11 5.399 18.245 3.466 66 HA SER 11 HA SER 11 3.337 19.614 2.100 67 HB2 SER 11 1HB SER 11 3.036 20.141 4.830 68 HB3 SER 11 2HB SER 11 2.421 18.718 3.956 69 HG SER 11 HG SER 11 3.801 18.238 5.801 70 H TRP 12 H TRP 12 2.706 21.778 2.037 71 HA TRP 12 HA TRP 12 4.776 23.739 2.315 72 HB2 TRP 12 1HB TRP 12 1.943 23.686 1.458 73 HB3 TRP 12 2HB TRP 12 2.540 25.231 2.081 74 HD1 TRP 12 HD1 TRP 12 2.756 23.013 -0.951 75 HE1 TRP 12 HE1 TRP 12 4.207 24.046 -2.753 76 HE3 TRP 12 HE3 TRP 12 4.736 26.792 1.854 77 HZ2 TRP 12 HZ2 TRP 12 6.037 26.221 -2.956 78 HZ3 TRP 12 HZ3 TRP 12 6.364 28.359 0.774 79 HH2 TRP 12 HH2 TRP 12 7.022 28.042 -1.612 80 H PHE 13 H PHE 13 2.401 22.566 4.541 81 HA PHE 13 HA PHE 13 2.813 24.991 6.213 82 HB2 PHE 13 1HB PHE 13 0.374 23.210 6.082 83 HB3 PHE 13 2HB PHE 13 0.542 24.721 6.987 84 HD1 PHE 13 HD1 PHE 13 -0.161 23.193 3.761 85 HD2 PHE 13 HD2 PHE 13 0.717 26.888 5.763 86 HE1 PHE 13 HE1 PHE 13 -0.929 24.444 1.763 87 HE2 PHE 13 HE2 PHE 13 -0.026 28.156 3.751 88 HZ PHE 13 HZ PHE 13 -0.822 26.915 1.735 89 H THR 14 H THR 14 2.461 24.747 8.484 90 HA THR 14 HA THR 14 4.000 22.567 9.569 91 HB THR 14 HB THR 14 3.333 23.521 11.765 92 HG1 THR 14 HG1 THR 14 1.876 25.175 11.868 93 HG21 THR 14 1HG2 THR 14 4.111 25.651 9.740 94 HG22 THR 14 2HG2 THR 14 5.228 24.544 10.568 95 HG23 THR 14 3HG2 THR 14 4.319 25.752 11.500 96 H ALA 15 H ALA 15 3.144 21.187 11.367 97 HA ALA 15 HA ALA 15 0.924 19.711 10.289 98 HB1 ALA 15 1HB ALA 15 1.474 18.074 11.890 99 HB2 ALA 15 2HB ALA 15 2.240 19.259 12.977 100 HB3 ALA 15 3HB ALA 15 3.026 18.807 11.451 101 H LEU 16 H LEU 16 -1.078 19.356 11.065 102 HA LEU 16 HA LEU 16 -2.095 21.077 13.272 103 HB2 LEU 16 1HB LEU 16 -3.309 19.034 11.370 104 HB3 LEU 16 2HB LEU 16 -4.149 19.547 12.818 105 HG LEU 16 HG LEU 16 -3.392 21.332 10.519 106 HD11 LEU 16 1HD1 LEU 16 -5.816 21.392 10.110 107 HD12 LEU 16 2HD1 LEU 16 -6.090 20.301 11.490 108 HD13 LEU 16 3HD1 LEU 16 -5.222 19.720 10.052 109 HD21 LEU 16 1HD2 LEU 16 -4.875 22.979 11.723 110 HD22 LEU 16 2HD2 LEU 16 -3.332 22.646 12.518 111 HD23 LEU 16 3HD2 LEU 16 -4.827 21.899 13.133 112 H THR 17 H THR 17 -2.466 20.169 15.301 113 HA THR 17 HA THR 17 -1.479 17.350 15.603 114 HB THR 17 HB THR 17 -1.317 19.617 17.621 115 HG1 THR 17 HG1 THR 17 0.181 19.953 16.006 116 HG21 THR 17 1HG2 THR 17 0.231 18.000 18.767 117 HG22 THR 17 2HG2 THR 17 -0.302 16.749 17.620 118 HG23 THR 17 3HG2 THR 17 -1.468 17.485 18.748 119 H GLN 18 H GLN 18 -2.839 15.936 16.386 120 HA GLN 18 HA GLN 18 -5.545 16.791 17.112 121 HB2 GLN 18 1HB GLN 18 -4.940 14.763 15.718 122 HB3 GLN 18 2HB GLN 18 -4.237 14.047 17.160 123 HG2 GLN 18 1HG GLN 18 -7.021 14.949 17.533 124 HG3 GLN 18 2HG GLN 18 -6.826 13.721 16.279 125 HE21 GLN 18 1HE2 GLN 18 -7.002 11.253 18.711 126 HE22 GLN 18 2HE2 GLN 18 -7.593 11.927 17.197 127 H HIS 19 H HIS 19 -6.379 16.880 19.143 128 HA HIS 19 HA HIS 19 -5.024 15.311 21.280 129 HB2 HIS 19 1HB HIS 19 -4.298 17.721 21.469 130 HB3 HIS 19 2HB HIS 19 -5.994 18.190 21.607 131 HD1 HIS 19 HD1 HIS 19 -4.332 18.991 23.962 132 HD2 HIS 19 HD2 HIS 19 -6.035 15.199 23.669 133 HE1 HIS 19 HE1 HIS 19 -4.459 18.057 26.309 134 H GLY 20 H GLY 20 -6.693 13.785 21.071 135 HA2 GLY 20 1HA GLY 20 -9.139 14.132 22.332 136 HA3 GLY 20 2HA GLY 20 -9.424 14.676 20.670 137 H LYS 21 H LYS 21 -10.763 13.032 19.981 138 HA LYS 21 HA LYS 21 -9.594 10.284 20.072 139 HB2 LYS 21 1HB LYS 21 -12.478 11.180 20.313 140 HB3 LYS 21 2HB LYS 21 -11.962 9.509 20.098 141 HG2 LYS 21 1HG LYS 21 -10.621 9.675 22.196 142 HG3 LYS 21 2HG LYS 21 -11.262 11.311 22.440 143 HD2 LYS 21 1HD LYS 21 -13.562 10.385 22.488 144 HD3 LYS 21 2HD LYS 21 -12.893 8.750 22.286 145 HE2 LYS 21 1HE LYS 21 -11.587 9.049 24.388 146 HE3 LYS 21 2HE LYS 21 -12.323 10.649 24.602 147 HZ1 LYS 21 1HZ LYS 21 -13.477 8.964 25.890 148 HZ2 LYS 21 2HZ LYS 21 -13.798 8.076 24.537 149 HZ3 LYS 21 3HZ LYS 21 -14.489 9.562 24.731 150 H GLU 22 H GLU 22 -11.226 12.625 17.952 151 HA GLU 22 HA GLU 22 -11.693 10.612 15.887 152 HB2 GLU 22 1HB GLU 22 -11.711 13.646 15.779 153 HB3 GLU 22 2HB GLU 22 -12.151 12.587 14.441 154 HG2 GLU 22 1HG GLU 22 -13.948 11.606 15.895 155 HG3 GLU 22 2HG GLU 22 -13.587 12.868 17.090 156 H ASP 23 H ASP 23 -10.615 10.654 13.788 157 HA ASP 23 HA ASP 23 -7.745 10.854 14.083 158 HB2 ASP 23 1HB ASP 23 -9.432 9.412 12.459 159 HB3 ASP 23 2HB ASP 23 -8.915 10.662 11.335 160 H LEU 24 H LEU 24 -9.975 12.407 11.769 161 HA LEU 24 HA LEU 24 -9.572 15.106 12.382 162 HB2 LEU 24 1HB LEU 24 -7.243 14.897 11.525 163 HB3 LEU 24 2HB LEU 24 -7.847 14.170 10.044 164 HG LEU 24 HG LEU 24 -8.922 16.284 9.412 165 HD11 LEU 24 1HD1 LEU 24 -8.543 18.364 10.616 166 HD12 LEU 24 2HD1 LEU 24 -7.641 17.505 11.884 167 HD13 LEU 24 3HD1 LEU 24 -9.374 17.217 11.673 168 HD21 LEU 24 1HD2 LEU 24 -6.913 17.577 8.960 169 HD22 LEU 24 2HD2 LEU 24 -6.602 15.844 8.748 170 HD23 LEU 24 3HD2 LEU 24 -6.030 16.674 10.213 171 H LYS 25 H LYS 25 -11.139 16.239 11.097 172 HA LYS 25 HA LYS 25 -12.040 15.066 8.584 173 HB2 LYS 25 1HB LYS 25 -13.264 13.856 10.543 174 HB3 LYS 25 2HB LYS 25 -14.079 15.389 10.813 175 HG2 LYS 25 1HG LYS 25 -15.508 13.934 9.498 176 HG3 LYS 25 2HG LYS 25 -15.009 15.306 8.507 177 HD2 LYS 25 1HD LYS 25 -14.964 13.193 7.220 178 HD3 LYS 25 2HD LYS 25 -13.357 13.913 7.322 179 HE2 LYS 25 1HE LYS 25 -13.289 11.456 7.630 180 HE3 LYS 25 2HE LYS 25 -12.689 12.316 9.054 181 HZ1 LYS 25 1HZ LYS 25 -15.405 11.161 8.794 182 HZ2 LYS 25 2HZ LYS 25 -14.818 11.943 10.124 183 HZ3 LYS 25 3HZ LYS 25 -14.163 10.503 9.658 184 H PHE 26 H PHE 26 -12.956 16.655 7.287 185 HA PHE 26 HA PHE 26 -13.621 19.241 8.627 186 HB2 PHE 26 1HB PHE 26 -12.021 18.724 6.107 187 HB3 PHE 26 2HB PHE 26 -12.871 20.249 6.369 188 HD1 PHE 26 HD1 PHE 26 -12.498 21.023 9.066 189 HD2 PHE 26 HD2 PHE 26 -9.678 19.023 6.481 190 HE1 PHE 26 HE1 PHE 26 -10.631 21.903 10.421 191 HE2 PHE 26 HE2 PHE 26 -7.819 19.866 7.889 192 HZ PHE 26 HZ PHE 26 -8.281 21.314 9.849 193 HA PRO 27 HA PRO 27 -17.466 18.732 6.569 194 HB2 PRO 27 1HB PRO 27 -18.264 21.326 6.092 195 HB3 PRO 27 2HB PRO 27 -18.245 20.593 7.723 196 HG2 PRO 27 1HG PRO 27 -16.256 22.354 6.446 197 HG3 PRO 27 2HG PRO 27 -16.951 22.430 8.077 198 HD2 PRO 27 1HD PRO 27 -14.508 21.384 7.568 199 HD3 PRO 27 2HD PRO 27 -15.579 20.732 8.857 200 H ARG 28 H ARG 28 -18.646 19.051 4.536 201 HA ARG 28 HA ARG 28 -16.942 18.636 2.286 202 HB2 ARG 28 1HB ARG 28 -19.322 17.793 2.671 203 HB3 ARG 28 2HB ARG 28 -19.877 19.421 2.281 204 HG2 ARG 28 1HG ARG 28 -20.177 18.272 0.289 205 HG3 ARG 28 2HG ARG 28 -18.627 19.088 0.022 206 HD2 ARG 28 1HD ARG 28 -17.418 17.028 0.554 207 HD3 ARG 28 2HD ARG 28 -18.937 16.223 1.002 208 HE ARG 28 HE ARG 28 -19.134 17.201 -1.672 209 HH11 ARG 28 1HH1 ARG 28 -17.531 14.618 0.128 210 HH12 ARG 28 2HH1 ARG 28 -17.479 13.561 -1.256 211 HH21 ARG 28 1HH2 ARG 28 -19.022 15.798 -3.394 212 HH22 ARG 28 2HH2 ARG 28 -18.304 14.222 -3.214 213 H GLY 29 H GLY 29 -16.094 20.001 0.806 214 HA2 GLY 29 1HA GLY 29 -15.838 21.899 -0.504 215 HA3 GLY 29 2HA GLY 29 -17.354 22.530 0.158 216 H GLN 30 H GLN 30 -14.993 21.516 2.460 217 HA GLN 30 HA GLN 30 -13.887 24.231 2.830 218 HB2 GLN 30 1HB GLN 30 -16.035 22.946 4.401 219 HB3 GLN 30 2HB GLN 30 -14.677 23.503 5.374 220 HG2 GLN 30 1HG GLN 30 -14.957 25.763 4.476 221 HG3 GLN 30 2HG GLN 30 -16.342 25.201 3.517 222 HE21 GLN 30 1HE2 GLN 30 -16.712 25.883 7.509 223 HE22 GLN 30 2HE2 GLN 30 -15.146 25.992 6.704 224 H GLY 31 H GLY 31 -12.336 24.145 4.743 225 HA2 GLY 31 1HA GLY 31 -11.137 22.756 6.323 226 HA3 GLY 31 2HA GLY 31 -11.313 21.386 5.223 227 H VAL 32 H VAL 32 -10.668 23.520 3.028 228 HA VAL 32 HA VAL 32 -7.875 22.873 2.817 229 HB VAL 32 HB VAL 32 -9.541 25.072 1.467 230 HG11 VAL 32 1HG1 VAL 32 -7.736 24.998 -0.243 231 HG12 VAL 32 2HG1 VAL 32 -6.777 24.006 0.856 232 HG13 VAL 32 3HG1 VAL 32 -7.240 25.667 1.297 233 HG21 VAL 32 1HG2 VAL 32 -9.598 23.541 -0.461 234 HG22 VAL 32 2HG2 VAL 32 -10.369 22.811 0.961 235 HG23 VAL 32 3HG2 VAL 32 -8.728 22.312 0.478 236 HA PRO 33 HA PRO 33 -6.645 26.067 5.651 237 HB2 PRO 33 1HB PRO 33 -3.944 25.835 5.409 238 HB3 PRO 33 2HB PRO 33 -4.946 24.604 6.237 239 HG2 PRO 33 1HG PRO 33 -3.865 24.606 3.475 240 HG3 PRO 33 2HG PRO 33 -3.874 23.309 4.691 241 HD2 PRO 33 1HD PRO 33 -5.644 23.414 2.689 242 HD3 PRO 33 2HD PRO 33 -6.027 22.711 4.295 243 H ILE 34 H ILE 34 -5.259 28.097 5.570 244 HA ILE 34 HA ILE 34 -5.876 29.481 3.104 245 HB ILE 34 HB ILE 34 -4.175 30.364 5.462 246 HG12 ILE 34 1HG1 ILE 34 -7.034 31.010 4.695 247 HG13 ILE 34 2HG1 ILE 34 -6.566 29.854 5.944 248 HG21 ILE 34 1HG2 ILE 34 -3.680 31.607 3.309 249 HG22 ILE 34 2HG2 ILE 34 -4.377 32.635 4.561 250 HG23 ILE 34 3HG2 ILE 34 -5.397 32.054 3.221 251 HD11 ILE 34 1HD1 ILE 34 -5.410 31.678 7.158 252 HD12 ILE 34 2HD1 ILE 34 -7.162 31.900 7.006 253 HD13 ILE 34 3HD1 ILE 34 -6.069 32.823 5.963 254 H ASN 35 H ASN 35 -4.886 29.034 1.366 255 HA ASN 35 HA ASN 35 -1.996 28.364 1.430 256 HB2 ASN 35 1HB ASN 35 -3.970 28.091 -0.840 257 HB3 ASN 35 2HB ASN 35 -2.300 27.545 -0.851 258 HD21 ASN 35 1HD2 ASN 35 -4.846 24.843 0.002 259 HD22 ASN 35 2HD2 ASN 35 -4.926 26.152 -1.148 260 H THR 36 H THR 36 -1.234 30.450 1.792 261 HA THR 36 HA THR 36 -2.012 32.756 0.293 262 HB THR 36 HB THR 36 0.050 33.758 1.255 263 HG1 THR 36 HG1 THR 36 1.498 32.444 2.332 264 HG21 THR 36 1HG2 THR 36 -0.459 33.447 3.585 265 HG22 THR 36 2HG2 THR 36 -1.218 31.873 3.267 266 HG23 THR 36 3HG2 THR 36 -1.993 33.372 2.692 267 H ASN 37 H ASN 37 -0.032 30.139 -0.545 268 HA ASN 37 HA ASN 37 1.409 31.701 -2.647 269 HB2 ASN 37 1HB ASN 37 3.003 29.781 -2.625 270 HB3 ASN 37 2HB ASN 37 2.867 30.579 -1.053 271 HD21 ASN 37 1HD2 ASN 37 2.023 27.698 0.628 272 HD22 ASN 37 2HD2 ASN 37 2.660 29.325 0.632 273 H SER 38 H SER 38 -1.439 30.558 -2.792 274 HA SER 38 HA SER 38 -0.952 28.919 -5.236 275 HB2 SER 38 1HB SER 38 -2.938 28.236 -3.048 276 HB3 SER 38 2HB SER 38 -2.604 27.298 -4.505 277 HG SER 38 HG SER 38 -0.293 27.688 -3.297 278 H SER 39 H SER 39 -2.542 28.960 -6.814 279 HA SER 39 HA SER 39 -4.221 31.340 -6.912 280 HB2 SER 39 1HB SER 39 -4.553 28.970 -8.746 281 HB3 SER 39 2HB SER 39 -4.556 30.703 -9.139 282 HG SER 39 HG SER 39 -2.437 28.902 -8.844 283 HA PRO 40 HA PRO 40 -7.829 29.546 -5.229 284 HB2 PRO 40 1HB PRO 40 -9.936 30.040 -6.905 285 HB3 PRO 40 2HB PRO 40 -9.144 31.315 -5.919 286 HG2 PRO 40 1HG PRO 40 -8.640 30.604 -8.797 287 HG3 PRO 40 2HG PRO 40 -9.011 32.206 -8.078 288 HD2 PRO 40 1HD PRO 40 -6.474 31.486 -8.581 289 HD3 PRO 40 2HD PRO 40 -6.883 32.370 -7.069 290 H ASP 41 H ASP 41 -7.136 28.810 -8.600 291 HA ASP 41 HA ASP 41 -8.613 26.428 -8.962 292 HB2 ASP 41 1HB ASP 41 -5.815 27.054 -9.981 293 HB3 ASP 41 2HB ASP 41 -7.014 26.005 -10.746 294 H ASP 42 H ASP 42 -5.722 27.129 -7.157 295 HA ASP 42 HA ASP 42 -4.772 24.352 -7.186 296 HB2 ASP 42 1HB ASP 42 -3.620 26.924 -6.138 297 HB3 ASP 42 2HB ASP 42 -2.804 25.364 -6.025 298 H GLN 43 H GLN 43 -6.847 26.086 -5.219 299 HA GLN 43 HA GLN 43 -5.882 25.526 -2.621 300 HB2 GLN 43 1HB GLN 43 -8.727 25.747 -3.644 301 HB3 GLN 43 2HB GLN 43 -8.252 25.841 -1.955 302 HG2 GLN 43 1HG GLN 43 -7.498 27.770 -4.144 303 HG3 GLN 43 2HG GLN 43 -8.616 28.072 -2.818 304 HE21 GLN 43 1HE2 GLN 43 -4.789 28.984 -2.436 305 HE22 GLN 43 2HE2 GLN 43 -5.629 28.709 -3.943 306 H ILE 44 H ILE 44 -7.510 23.354 -4.856 307 HA ILE 44 HA ILE 44 -8.561 21.506 -3.010 308 HB ILE 44 HB ILE 44 -9.123 21.622 -5.388 309 HG12 ILE 44 1HG1 ILE 44 -8.065 18.853 -4.931 310 HG13 ILE 44 2HG1 ILE 44 -9.348 19.521 -3.917 311 HG21 ILE 44 1HG2 ILE 44 -7.563 20.528 -7.067 312 HG22 ILE 44 2HG2 ILE 44 -6.292 20.620 -5.853 313 HG23 ILE 44 3HG2 ILE 44 -7.049 22.108 -6.465 314 HD11 ILE 44 1HD1 ILE 44 -10.253 18.197 -5.821 315 HD12 ILE 44 2HD1 ILE 44 -9.495 19.328 -6.953 316 HD13 ILE 44 3HD1 ILE 44 -10.783 19.889 -5.865 317 H GLY 45 H GLY 45 -7.876 19.714 -1.942 318 HA2 GLY 45 1HA GLY 45 -5.409 18.386 -2.450 319 HA3 GLY 45 2HA GLY 45 -5.149 19.597 -1.189 320 H TYR 46 H TYR 46 -4.621 17.860 0.237 321 HA TYR 46 HA TYR 46 -7.011 16.883 1.629 322 HB2 TYR 46 1HB TYR 46 -6.416 14.543 1.512 323 HB3 TYR 46 2HB TYR 46 -6.547 15.154 -0.131 324 HD1 TYR 46 HD1 TYR 46 -4.327 13.906 2.485 325 HD2 TYR 46 HD2 TYR 46 -4.521 15.405 -1.539 326 HE1 TYR 46 HE1 TYR 46 -2.002 13.087 2.037 327 HE2 TYR 46 HE2 TYR 46 -2.208 14.573 -1.977 328 HH TYR 46 HH TYR 46 -0.267 12.964 0.539 329 H TYR 47 H TYR 47 -6.255 15.686 3.698 330 HA TYR 47 HA TYR 47 -3.584 16.787 4.519 331 HB2 TYR 47 1HB TYR 47 -5.976 16.081 6.207 332 HB3 TYR 47 2HB TYR 47 -4.383 16.382 6.856 333 HD1 TYR 47 HD1 TYR 47 -6.893 18.155 4.610 334 HD2 TYR 47 HD2 TYR 47 -3.890 18.473 7.685 335 HE1 TYR 47 HE1 TYR 47 -7.400 20.562 4.877 336 HE2 TYR 47 HE2 TYR 47 -4.427 20.887 7.933 337 HH TYR 47 HH TYR 47 -7.046 22.455 6.106 338 H ARG 48 H ARG 48 -2.098 15.452 5.338 339 HA ARG 48 HA ARG 48 -2.611 12.512 5.044 340 HB2 ARG 48 1HB ARG 48 -0.783 14.085 3.770 341 HB3 ARG 48 2HB ARG 48 0.154 13.700 5.206 342 HG2 ARG 48 1HG ARG 48 -1.017 11.702 3.250 343 HG3 ARG 48 2HG ARG 48 0.673 12.192 3.344 344 HD2 ARG 48 1HD ARG 48 0.837 11.224 5.597 345 HD3 ARG 48 2HD ARG 48 -0.876 10.763 5.523 346 HE ARG 48 HE ARG 48 0.560 9.698 3.282 347 HH11 ARG 48 1HH1 ARG 48 0.033 9.137 6.732 348 HH12 ARG 48 2HH1 ARG 48 0.296 7.415 6.576 349 HH21 ARG 48 1HH2 ARG 48 0.925 7.508 3.180 350 HH22 ARG 48 2HH2 ARG 48 0.810 6.521 4.612 351 H ARG 49 H ARG 49 -2.760 11.428 6.954 352 HA ARG 49 HA ARG 49 -1.935 12.564 9.489 353 HB2 ARG 49 1HB ARG 49 -3.709 10.807 9.121 354 HB3 ARG 49 2HB ARG 49 -2.427 9.645 8.791 355 HG2 ARG 49 1HG ARG 49 -1.596 9.803 11.043 356 HG3 ARG 49 2HG ARG 49 -2.629 11.202 11.392 357 HD2 ARG 49 1HD ARG 49 -3.548 9.162 12.400 358 HD3 ARG 49 2HD ARG 49 -4.637 9.811 11.168 359 HE ARG 49 HE ARG 49 -3.116 7.969 9.805 360 HH11 ARG 49 1HH1 ARG 49 -5.284 7.801 12.585 361 HH12 ARG 49 2HH1 ARG 49 -5.626 6.108 12.308 362 HH21 ARG 49 1HH2 ARG 49 -3.665 5.822 9.485 363 HH22 ARG 49 2HH2 ARG 49 -4.778 5.047 10.571 364 H ALA 50 H ALA 50 -0.060 12.348 10.630 365 HA ALA 50 HA ALA 50 2.057 10.528 9.622 366 HB1 ALA 50 1HB ALA 50 2.359 12.705 8.440 367 HB2 ALA 50 2HB ALA 50 3.687 12.387 9.583 368 HB3 ALA 50 3HB ALA 50 2.395 13.535 10.018 369 H THR 51 H THR 51 3.544 9.932 11.197 370 HA THR 51 HA THR 51 3.578 11.282 13.790 371 HB THR 51 HB THR 51 3.435 8.432 14.305 372 HG1 THR 51 HG1 THR 51 1.136 8.280 13.748 373 HG21 THR 51 1HG2 THR 51 1.475 9.195 15.688 374 HG22 THR 51 2HG2 THR 51 1.745 10.818 15.012 375 HG23 THR 51 3HG2 THR 51 3.004 10.044 15.995 376 H ARG 52 H ARG 52 5.650 11.359 14.472 377 HA ARG 52 HA ARG 52 7.626 9.516 13.203 378 HB2 ARG 52 1HB ARG 52 8.039 12.018 13.574 379 HB3 ARG 52 2HB ARG 52 8.005 11.695 15.304 380 HG2 ARG 52 1HG ARG 52 10.266 11.662 14.940 381 HG3 ARG 52 2HG ARG 52 9.899 9.944 14.724 382 HD2 ARG 52 1HD ARG 52 11.343 10.603 12.925 383 HD3 ARG 52 2HD ARG 52 9.721 10.395 12.232 384 HE ARG 52 HE ARG 52 9.886 13.087 12.948 385 HH11 ARG 52 1HH1 ARG 52 11.684 10.987 10.745 386 HH12 ARG 52 2HH1 ARG 52 12.091 12.305 9.678 387 HH21 ARG 52 1HH2 ARG 52 10.444 14.710 11.539 388 HH22 ARG 52 2HH2 ARG 52 11.401 14.369 10.122 389 H ARG 53 H ARG 53 8.117 7.597 14.246 390 HA ARG 53 HA ARG 53 7.850 7.536 17.186 391 HB2 ARG 53 1HB ARG 53 5.695 6.890 15.962 392 HB3 ARG 53 2HB ARG 53 6.496 5.389 15.532 393 HG2 ARG 53 1HG ARG 53 6.284 6.333 18.402 394 HG3 ARG 53 2HG ARG 53 4.918 5.545 17.607 395 HD2 ARG 53 1HD ARG 53 6.478 3.604 17.079 396 HD3 ARG 53 2HD ARG 53 7.642 4.362 18.184 397 HE ARG 53 HE ARG 53 4.957 4.014 19.293 398 HH11 ARG 53 1HH1 ARG 53 8.132 2.508 18.974 399 HH12 ARG 53 2HH1 ARG 53 7.849 1.426 20.311 400 HH21 ARG 53 1HH2 ARG 53 4.683 2.626 20.998 401 HH22 ARG 53 2HH2 ARG 53 5.936 1.502 21.441 402 H ILE 54 H ILE 54 9.224 6.493 18.121 403 HA ILE 54 HA ILE 54 10.839 4.404 16.765 404 HB ILE 54 HB ILE 54 12.935 5.404 17.285 405 HG12 ILE 54 1HG1 ILE 54 12.635 6.138 19.548 406 HG13 ILE 54 2HG1 ILE 54 13.280 7.460 18.599 407 HG21 ILE 54 1HG2 ILE 54 13.004 7.585 16.168 408 HG22 ILE 54 2HG2 ILE 54 11.257 7.797 16.393 409 HG23 ILE 54 3HG2 ILE 54 11.867 6.505 15.331 410 HD11 ILE 54 1HD1 ILE 54 11.679 8.336 20.126 411 HD12 ILE 54 2HD1 ILE 54 10.450 7.160 19.621 412 HD13 ILE 54 3HD1 ILE 54 10.976 8.435 18.502 413 H ARG 55 H ARG 55 12.423 3.554 18.653 414 HA ARG 55 HA ARG 55 11.018 3.705 21.286 415 HB2 ARG 55 1HB ARG 55 10.554 1.488 20.169 416 HB3 ARG 55 2HB ARG 55 12.293 1.179 20.130 417 HG2 ARG 55 1HG ARG 55 11.175 1.909 22.799 418 HG3 ARG 55 2HG ARG 55 10.612 0.366 22.139 419 HD2 ARG 55 1HD ARG 55 12.876 -0.475 21.960 420 HD3 ARG 55 2HD ARG 55 13.549 1.117 22.356 421 HE ARG 55 HE ARG 55 11.835 0.231 24.470 422 HH11 ARG 55 1HH1 ARG 55 15.048 -0.393 23.151 423 HH12 ARG 55 2HH1 ARG 55 15.680 -0.896 24.696 424 HH21 ARG 55 1HH2 ARG 55 12.719 -0.433 26.403 425 HH22 ARG 55 2HH2 ARG 55 14.390 -0.906 26.495 426 H GLY 56 H GLY 56 12.440 5.067 22.296 427 HA2 GLY 56 1HA GLY 56 15.297 4.938 21.748 428 HA3 GLY 56 2HA GLY 56 14.498 5.853 23.055 429 H GLY 57 H GLY 57 16.926 4.263 23.412 430 HA2 GLY 57 1HA GLY 57 16.356 1.667 24.391 431 HA3 GLY 57 2HA GLY 57 17.744 2.660 24.863 432 H ASP 58 H ASP 58 16.227 4.829 25.946 433 HA ASP 58 HA ASP 58 15.593 3.689 28.577 434 HB2 ASP 58 1HB ASP 58 17.069 5.719 28.082 435 HB3 ASP 58 2HB ASP 58 15.583 6.590 27.701 436 H GLY 59 H GLY 59 13.834 3.732 25.954 437 HA2 GLY 59 1HA GLY 59 11.594 3.101 25.864 438 HA3 GLY 59 2HA GLY 59 11.354 3.730 27.499 439 H LYS 60 H LYS 60 12.952 5.980 25.609 440 HA LYS 60 HA LYS 60 10.699 7.731 25.775 441 HB2 LYS 60 1HB LYS 60 13.309 8.214 24.319 442 HB3 LYS 60 2HB LYS 60 12.195 9.421 24.978 443 HG2 LYS 60 1HG LYS 60 14.136 7.609 26.428 444 HG3 LYS 60 2HG LYS 60 14.032 9.368 26.479 445 HD2 LYS 60 1HD LYS 60 11.844 9.125 27.765 446 HD3 LYS 60 2HD LYS 60 12.135 7.362 27.788 447 HE2 LYS 60 1HE LYS 60 14.514 8.173 28.648 448 HE3 LYS 60 2HE LYS 60 13.565 9.541 29.246 449 HZ1 LYS 60 1HZ LYS 60 13.841 7.677 30.842 450 HZ2 LYS 60 2HZ LYS 60 12.983 6.683 29.848 451 HZ3 LYS 60 3HZ LYS 60 12.245 7.997 30.538 452 H MET 61 H MET 61 9.728 8.839 24.179 453 HA MET 61 HA MET 61 9.608 7.478 21.524 454 HB2 MET 61 1HB MET 61 7.401 8.724 23.188 455 HB3 MET 61 2HB MET 61 7.225 8.256 21.495 456 HG2 MET 61 1HG MET 61 7.884 5.923 22.116 457 HG3 MET 61 2HG MET 61 7.855 6.413 23.819 458 HE1 MET 61 1HE MET 61 5.998 6.085 20.530 459 HE2 MET 61 2HE MET 61 5.149 7.592 20.943 460 HE3 MET 61 3HE MET 61 4.262 6.051 20.958 461 H LYS 62 H LYS 62 8.157 9.226 20.065 462 HA LYS 62 HA LYS 62 9.666 11.794 20.280 463 HB2 LYS 62 1HB LYS 62 9.399 9.893 18.032 464 HB3 LYS 62 2HB LYS 62 8.966 11.554 17.597 465 HG2 LYS 62 1HG LYS 62 11.575 10.804 18.941 466 HG3 LYS 62 2HG LYS 62 11.366 10.989 17.190 467 HD2 LYS 62 1HD LYS 62 10.650 13.343 17.527 468 HD3 LYS 62 2HD LYS 62 10.881 13.158 19.277 469 HE2 LYS 62 1HE LYS 62 13.272 12.565 18.854 470 HE3 LYS 62 2HE LYS 62 13.020 12.938 17.135 471 HZ1 LYS 62 1HZ LYS 62 13.912 14.855 18.339 472 HZ2 LYS 62 2HZ LYS 62 12.643 14.845 19.392 473 HZ3 LYS 62 3HZ LYS 62 12.391 15.204 17.803 474 H ASP 63 H ASP 63 6.965 10.666 18.190 475 HA ASP 63 HA ASP 63 5.429 13.023 19.149 476 HB2 ASP 63 1HB ASP 63 4.849 10.996 16.944 477 HB3 ASP 63 2HB ASP 63 3.822 12.371 17.363 478 H LEU 64 H LEU 64 3.400 12.673 20.132 479 HA LEU 64 HA LEU 64 2.884 9.874 21.076 480 HB2 LEU 64 1HB LEU 64 2.293 12.513 22.478 481 HB3 LEU 64 2HB LEU 64 1.845 10.917 23.072 482 HG LEU 64 HG LEU 64 4.706 11.876 22.686 483 HD11 LEU 64 1HD1 LEU 64 4.728 12.139 25.124 484 HD12 LEU 64 2HD1 LEU 64 3.012 11.674 25.204 485 HD13 LEU 64 3HD1 LEU 64 3.492 13.179 24.385 486 HD21 LEU 64 1HD2 LEU 64 5.256 9.934 24.143 487 HD22 LEU 64 2HD2 LEU 64 4.538 9.439 22.599 488 HD23 LEU 64 3HD2 LEU 64 3.554 9.424 24.081 489 H SER 65 H SER 65 1.397 13.097 20.650 490 HA SER 65 HA SER 65 -1.180 11.986 19.889 491 HB2 SER 65 1HB SER 65 -1.356 14.550 19.176 492 HB3 SER 65 2HB SER 65 -1.421 14.063 20.885 493 HG SER 65 HG SER 65 0.064 15.760 20.535 494 HA PRO 66 HA PRO 66 0.064 11.669 15.662 495 HB2 PRO 66 1HB PRO 66 -2.304 11.473 14.339 496 HB3 PRO 66 2HB PRO 66 -1.682 10.153 15.383 497 HG2 PRO 66 1HG PRO 66 -3.678 12.288 16.016 498 HG3 PRO 66 2HG PRO 66 -3.786 10.526 16.296 499 HD2 PRO 66 1HD PRO 66 -3.046 12.282 18.256 500 HD3 PRO 66 2HD PRO 66 -2.373 10.616 18.157 501 H ARG 67 H ARG 67 0.199 12.894 13.704 502 HA ARG 67 HA ARG 67 -0.913 15.664 13.946 503 HB2 ARG 67 1HB ARG 67 1.837 14.602 13.486 504 HB3 ARG 67 2HB ARG 67 1.357 16.006 12.525 505 HG2 ARG 67 1HG ARG 67 1.158 17.377 14.345 506 HG3 ARG 67 2HG ARG 67 0.823 16.042 15.462 507 HD2 ARG 67 1HD ARG 67 3.142 15.331 15.394 508 HD3 ARG 67 2HD ARG 67 3.503 16.549 14.160 509 HE ARG 67 HE ARG 67 3.493 18.228 15.785 510 HH11 ARG 67 1HH1 ARG 67 2.325 15.230 17.274 511 HH12 ARG 67 2HH1 ARG 67 2.409 15.905 18.878 512 HH21 ARG 67 1HH2 ARG 67 3.564 19.011 17.839 513 HH22 ARG 67 2HH2 ARG 67 3.113 18.007 19.192 514 H TRP 68 H TRP 68 -1.166 16.765 11.904 515 HA TRP 68 HA TRP 68 -1.346 14.929 9.549 516 HB2 TRP 68 1HB TRP 68 -3.433 16.889 10.550 517 HB3 TRP 68 2HB TRP 68 -3.435 16.199 8.924 518 HD1 TRP 68 HD1 TRP 68 -3.600 14.947 12.598 519 HE1 TRP 68 HE1 TRP 68 -5.038 12.854 12.721 520 HE3 TRP 68 HE3 TRP 68 -4.487 14.397 7.593 521 HZ2 TRP 68 HZ2 TRP 68 -6.366 11.165 10.889 522 HZ3 TRP 68 HZ3 TRP 68 -5.938 12.506 6.833 523 HH2 TRP 68 HH2 TRP 68 -6.885 10.900 8.509 524 H TYR 69 H TYR 69 -0.721 15.879 7.643 525 HA TYR 69 HA TYR 69 0.080 18.783 7.795 526 HB2 TYR 69 1HB TYR 69 1.353 16.414 6.373 527 HB3 TYR 69 2HB TYR 69 1.754 18.093 6.041 528 HD1 TYR 69 HD1 TYR 69 3.340 19.296 7.371 529 HD2 TYR 69 HD2 TYR 69 1.831 15.504 8.766 530 HE1 TYR 69 HE1 TYR 69 5.105 19.226 9.126 531 HE2 TYR 69 HE2 TYR 69 3.598 15.459 10.521 532 HH TYR 69 HH TYR 69 5.367 16.536 11.461 533 H PHE 70 H PHE 70 -0.252 19.909 5.700 534 HA PHE 70 HA PHE 70 -2.503 18.698 4.200 535 HB2 PHE 70 1HB PHE 70 -2.939 20.931 5.070 536 HB3 PHE 70 2HB PHE 70 -1.465 21.545 4.313 537 HD1 PHE 70 HD1 PHE 70 -1.510 22.387 2.099 538 HD2 PHE 70 HD2 PHE 70 -4.760 19.944 3.491 539 HE1 PHE 70 HE1 PHE 70 -2.777 22.905 0.021 540 HE2 PHE 70 HE2 PHE 70 -6.025 20.432 1.401 541 HZ PHE 70 HZ PHE 70 -5.040 21.928 -0.335 542 H TYR 71 H TYR 71 -2.389 18.277 2.108 543 HA TYR 71 HA TYR 71 0.155 18.830 0.656 544 HB2 TYR 71 1HB TYR 71 -1.060 16.298 1.584 545 HB3 TYR 71 2HB TYR 71 -0.513 16.299 -0.117 546 HD1 TYR 71 HD1 TYR 71 0.500 16.391 3.430 547 HD2 TYR 71 HD2 TYR 71 1.912 16.553 -0.633 548 HE1 TYR 71 HE1 TYR 71 2.826 15.956 4.215 549 HE2 TYR 71 HE2 TYR 71 4.237 16.126 0.162 550 HH TYR 71 HH TYR 71 5.588 15.686 1.937 551 H TYR 72 H TYR 72 -0.215 19.073 -1.553 552 HA TYR 72 HA TYR 72 -2.959 19.797 -2.226 553 HB2 TYR 72 1HB TYR 72 -0.355 19.967 -3.760 554 HB3 TYR 72 2HB TYR 72 -1.918 20.547 -4.338 555 HD1 TYR 72 HD1 TYR 72 -2.697 22.697 -3.833 556 HD2 TYR 72 HD2 TYR 72 0.532 21.047 -1.516 557 HE1 TYR 72 HE1 TYR 72 -2.345 24.906 -2.738 558 HE2 TYR 72 HE2 TYR 72 0.837 23.254 -0.398 559 HH TYR 72 HH TYR 72 -0.902 26.151 -1.397 560 H LEU 73 H LEU 73 -3.989 19.072 -4.255 561 HA LEU 73 HA LEU 73 -4.378 16.303 -4.298 562 HB2 LEU 73 1HB LEU 73 -5.579 18.435 -5.408 563 HB3 LEU 73 2HB LEU 73 -4.709 17.889 -6.822 564 HG LEU 73 HG LEU 73 -6.981 16.544 -5.364 565 HD11 LEU 73 1HD1 LEU 73 -8.048 16.683 -7.524 566 HD12 LEU 73 2HD1 LEU 73 -6.533 17.196 -8.297 567 HD13 LEU 73 3HD1 LEU 73 -7.355 18.268 -7.150 568 HD21 LEU 73 1HD2 LEU 73 -6.795 14.662 -6.986 569 HD22 LEU 73 2HD2 LEU 73 -5.498 14.691 -5.790 570 HD23 LEU 73 3HD2 LEU 73 -5.186 15.259 -7.447 571 H GLY 74 H GLY 74 -3.371 14.570 -5.209 572 HA2 GLY 74 1HA GLY 74 -2.080 13.343 -6.646 573 HA3 GLY 74 2HA GLY 74 -2.164 14.699 -7.771 574 H THR 75 H THR 75 -0.668 15.033 -4.563 575 HA THR 75 HA THR 75 1.873 15.590 -5.963 576 HB THR 75 HB THR 75 2.637 16.186 -3.591 577 HG1 THR 75 HG1 THR 75 -0.142 16.290 -3.023 578 HG21 THR 75 1HG2 THR 75 1.249 18.283 -3.559 579 HG22 THR 75 2HG2 THR 75 0.300 17.616 -4.903 580 HG23 THR 75 3HG2 THR 75 2.038 17.934 -5.114 581 H GLY 76 H GLY 76 3.774 14.494 -5.582 582 HA2 GLY 76 1HA GLY 76 5.040 12.703 -4.572 583 HA3 GLY 76 2HA GLY 76 3.524 11.824 -4.257 584 HA PRO 77 HA PRO 77 5.307 11.397 -8.705 585 HB2 PRO 77 1HB PRO 77 6.941 9.190 -8.646 586 HB3 PRO 77 2HB PRO 77 7.509 10.849 -8.314 587 HG2 PRO 77 1HG PRO 77 6.717 8.729 -6.337 588 HG3 PRO 77 2HG PRO 77 8.201 9.733 -6.381 589 HD2 PRO 77 1HD PRO 77 6.112 10.386 -4.812 590 HD3 PRO 77 2HD PRO 77 7.066 11.651 -5.665 591 H GLU 78 H GLU 78 4.718 8.562 -6.619 592 HA GLU 78 HA GLU 78 2.961 7.428 -8.765 593 HB2 GLU 78 1HB GLU 78 4.677 5.989 -6.708 594 HB3 GLU 78 2HB GLU 78 3.572 5.204 -7.848 595 HG2 GLU 78 1HG GLU 78 4.895 6.046 -9.737 596 HG3 GLU 78 2HG GLU 78 5.991 6.873 -8.616 597 H ALA 79 H ALA 79 2.087 9.334 -6.941 598 HA ALA 79 HA ALA 79 1.058 8.250 -4.515 599 HB1 ALA 79 1HB ALA 79 -0.369 10.259 -4.499 600 HB2 ALA 79 2HB ALA 79 0.038 10.570 -6.206 601 HB3 ALA 79 3HB ALA 79 1.302 10.653 -4.961 602 H GLY 80 H GLY 80 -0.344 8.490 -7.785 603 HA2 GLY 80 1HA GLY 80 -2.180 7.465 -8.719 604 HA3 GLY 80 2HA GLY 80 -1.953 6.197 -7.505 605 H LEU 81 H LEU 81 -2.686 9.552 -6.605 606 HA LEU 81 HA LEU 81 -5.276 8.559 -5.577 607 HB2 LEU 81 1HB LEU 81 -3.193 10.477 -4.574 608 HB3 LEU 81 2HB LEU 81 -4.855 10.653 -4.078 609 HG LEU 81 HG LEU 81 -3.148 8.217 -3.558 610 HD11 LEU 81 1HD1 LEU 81 -2.492 10.271 -2.316 611 HD12 LEU 81 2HD1 LEU 81 -3.160 9.036 -1.240 612 HD13 LEU 81 3HD1 LEU 81 -4.157 10.427 -1.710 613 HD21 LEU 81 1HD2 LEU 81 -5.492 7.559 -3.767 614 HD22 LEU 81 2HD2 LEU 81 -5.999 8.906 -2.726 615 HD23 LEU 81 3HD2 LEU 81 -5.055 7.582 -2.043 616 HA PRO 82 HA PRO 82 -6.950 11.942 -8.089 617 HB2 PRO 82 1HB PRO 82 -9.360 10.755 -8.524 618 HB3 PRO 82 2HB PRO 82 -7.908 10.278 -9.467 619 HG2 PRO 82 1HG PRO 82 -9.157 8.945 -7.084 620 HG3 PRO 82 2HG PRO 82 -8.536 8.215 -8.586 621 HD2 PRO 82 1HD PRO 82 -7.150 8.277 -6.268 622 HD3 PRO 82 2HD PRO 82 -6.389 8.215 -7.875 623 H TYR 83 H TYR 83 -8.928 13.282 -7.459 624 HA TYR 83 HA TYR 83 -8.990 13.638 -4.639 625 HB2 TYR 83 1HB TYR 83 -9.503 15.389 -6.330 626 HB3 TYR 83 2HB TYR 83 -11.013 14.554 -6.709 627 HD1 TYR 83 HD1 TYR 83 -9.165 16.450 -4.096 628 HD2 TYR 83 HD2 TYR 83 -12.946 14.745 -5.230 629 HE1 TYR 83 HE1 TYR 83 -10.274 17.676 -2.247 630 HE2 TYR 83 HE2 TYR 83 -14.052 15.975 -3.357 631 HH TYR 83 HH TYR 83 -13.776 17.424 -1.613 632 H GLY 84 H GLY 84 -10.196 12.765 -3.064 633 HA2 GLY 84 1HA GLY 84 -12.134 11.839 -2.125 634 HA3 GLY 84 2HA GLY 84 -12.743 11.446 -3.732 635 H ALA 85 H ALA 85 -9.666 10.255 -3.875 636 HA ALA 85 HA ALA 85 -10.570 7.559 -3.604 637 HB1 ALA 85 1HB ALA 85 -8.805 7.895 -5.064 638 HB2 ALA 85 2HB ALA 85 -8.074 7.052 -3.686 639 HB3 ALA 85 3HB ALA 85 -7.851 8.812 -3.879 640 H ASN 86 H ASN 86 -10.697 6.189 -1.988 641 HA ASN 86 HA ASN 86 -10.235 7.122 0.719 642 HB2 ASN 86 1HB ASN 86 -12.119 5.616 0.047 643 HB3 ASN 86 2HB ASN 86 -10.939 4.338 -0.288 644 HD21 ASN 86 1HD2 ASN 86 -11.559 3.243 2.969 645 HD22 ASN 86 2HD2 ASN 86 -11.754 2.940 1.260 646 H LYS 87 H LYS 87 -8.493 6.877 1.977 647 HA LYS 87 HA LYS 87 -6.694 4.587 1.641 648 HB2 LYS 87 1HB LYS 87 -5.909 6.195 -0.067 649 HB3 LYS 87 2HB LYS 87 -5.745 7.426 1.159 650 HG2 LYS 87 1HG LYS 87 -3.896 6.365 2.176 651 HG3 LYS 87 2HG LYS 87 -4.228 4.813 1.363 652 HD2 LYS 87 1HD LYS 87 -3.668 7.207 -0.328 653 HD3 LYS 87 2HD LYS 87 -2.325 6.497 0.564 654 HE2 LYS 87 1HE LYS 87 -2.321 5.517 -1.619 655 HE3 LYS 87 2HE LYS 87 -2.838 4.278 -0.471 656 HZ1 LYS 87 1HZ LYS 87 -5.141 4.686 -1.224 657 HZ2 LYS 87 2HZ LYS 87 -4.163 4.184 -2.455 658 HZ3 LYS 87 3HZ LYS 87 -4.591 5.770 -2.341 659 H ASP 88 H ASP 88 -5.275 4.398 3.498 660 HA ASP 88 HA ASP 88 -6.478 5.231 5.938 661 HB2 ASP 88 1HB ASP 88 -5.041 3.239 5.760 662 HB3 ASP 88 2HB ASP 88 -3.647 4.270 5.391 663 H GLY 89 H GLY 89 -6.328 7.019 7.123 664 HA2 GLY 89 1HA GLY 89 -5.512 8.992 7.968 665 HA3 GLY 89 2HA GLY 89 -3.916 8.512 7.380 666 H ILE 90 H ILE 90 -6.702 8.926 5.219 667 HA ILE 90 HA ILE 90 -5.493 11.477 4.241 668 HB ILE 90 HB ILE 90 -6.638 9.203 2.524 669 HG12 ILE 90 1HG1 ILE 90 -4.390 8.681 3.367 670 HG13 ILE 90 2HG1 ILE 90 -4.401 8.926 1.630 671 HG21 ILE 90 1HG2 ILE 90 -7.180 11.301 1.456 672 HG22 ILE 90 2HG2 ILE 90 -5.788 10.620 0.591 673 HG23 ILE 90 3HG2 ILE 90 -5.554 11.952 1.752 674 HD11 ILE 90 1HD1 ILE 90 -2.462 9.861 2.916 675 HD12 ILE 90 2HD1 ILE 90 -3.577 11.126 3.497 676 HD13 ILE 90 3HD1 ILE 90 -3.265 10.939 1.755 677 H ILE 91 H ILE 91 -6.862 13.098 4.100 678 HA ILE 91 HA ILE 91 -9.774 12.499 3.729 679 HB ILE 91 HB ILE 91 -10.294 14.518 5.175 680 HG12 ILE 91 1HG1 ILE 91 -7.873 14.218 6.816 681 HG13 ILE 91 2HG1 ILE 91 -7.522 14.835 5.228 682 HG21 ILE 91 1HG2 ILE 91 -10.304 13.301 7.270 683 HG22 ILE 91 2HG2 ILE 91 -9.032 12.192 6.687 684 HG23 ILE 91 3HG2 ILE 91 -10.648 12.166 5.943 685 HD11 ILE 91 1HD1 ILE 91 -7.955 16.655 6.803 686 HD12 ILE 91 2HD1 ILE 91 -9.595 16.031 7.079 687 HD13 ILE 91 3HD1 ILE 91 -9.118 16.639 5.468 688 H TRP 92 H TRP 92 -10.517 13.461 1.953 689 HA TRP 92 HA TRP 92 -8.838 15.468 0.638 690 HB2 TRP 92 1HB TRP 92 -11.391 14.047 -0.160 691 HB3 TRP 92 2HB TRP 92 -10.513 15.188 -1.184 692 HD1 TRP 92 HD1 TRP 92 -10.339 11.637 0.124 693 HE1 TRP 92 HE1 TRP 92 -8.470 10.348 -0.998 694 HE3 TRP 92 HE3 TRP 92 -8.140 15.584 -2.277 695 HZ2 TRP 92 HZ2 TRP 92 -6.277 10.960 -2.686 696 HZ3 TRP 92 HZ3 TRP 92 -6.110 15.150 -3.657 697 HH2 TRP 92 HH2 TRP 92 -5.188 12.836 -3.872 698 H VAL 93 H VAL 93 -9.227 17.566 0.305 699 HA VAL 93 HA VAL 93 -11.873 18.677 1.089 700 HB VAL 93 HB VAL 93 -10.669 20.600 2.221 701 HG11 VAL 93 1HG1 VAL 93 -10.315 19.439 4.354 702 HG12 VAL 93 2HG1 VAL 93 -10.241 17.871 3.519 703 HG13 VAL 93 3HG1 VAL 93 -11.756 18.805 3.535 704 HG21 VAL 93 1HG2 VAL 93 -8.375 20.349 2.968 705 HG22 VAL 93 2HG2 VAL 93 -8.395 20.129 1.211 706 HG23 VAL 93 3HG2 VAL 93 -8.265 18.715 2.280 707 H ALA 94 H ALA 94 -12.385 20.637 0.048 708 HA ALA 94 HA ALA 94 -10.547 21.811 -1.907 709 HB1 ALA 94 1HB ALA 94 -11.505 19.840 -3.165 710 HB2 ALA 94 2HB ALA 94 -11.999 21.405 -3.845 711 HB3 ALA 94 3HB ALA 94 -13.137 20.471 -2.841 712 H THR 95 H THR 95 -11.792 23.718 -2.899 713 HA THR 95 HA THR 95 -14.088 24.582 -1.230 714 HB THR 95 HB THR 95 -11.918 25.542 -0.257 715 HG1 THR 95 HG1 THR 95 -12.807 27.772 -0.430 716 HG21 THR 95 1HG2 THR 95 -10.754 27.276 -1.447 717 HG22 THR 95 2HG2 THR 95 -11.901 27.208 -2.804 718 HG23 THR 95 3HG2 THR 95 -10.793 25.851 -2.503 719 H GLU 96 H GLU 96 -14.867 26.769 -2.359 720 HA GLU 96 HA GLU 96 -15.586 26.031 -5.019 721 HB2 GLU 96 1HB GLU 96 -16.886 27.453 -3.403 722 HB3 GLU 96 2HB GLU 96 -15.745 28.768 -3.709 723 HG2 GLU 96 1HG GLU 96 -16.419 28.879 -6.031 724 HG3 GLU 96 2HG GLU 96 -17.399 27.411 -5.856 725 H GLY 97 H GLY 97 -14.754 26.540 -6.957 726 HA2 GLY 97 1HA GLY 97 -13.591 27.873 -8.516 727 HA3 GLY 97 2HA GLY 97 -12.742 28.686 -7.197 728 H ALA 98 H ALA 98 -12.456 25.583 -6.306 729 HA ALA 98 HA ALA 98 -9.741 25.442 -7.332 730 HB1 ALA 98 1HB ALA 98 -10.463 24.809 -5.021 731 HB2 ALA 98 2HB ALA 98 -9.510 23.579 -5.875 732 HB3 ALA 98 3HB ALA 98 -11.277 23.390 -5.727 733 H LEU 99 H LEU 99 -8.867 24.067 -8.837 734 HA LEU 99 HA LEU 99 -10.821 22.695 -10.604 735 HB2 LEU 99 1HB LEU 99 -7.886 23.384 -10.890 736 HB3 LEU 99 2HB LEU 99 -8.766 22.395 -12.039 737 HG LEU 99 HG LEU 99 -9.236 25.326 -11.468 738 HD11 LEU 99 1HD1 LEU 99 -8.442 25.524 -13.800 739 HD12 LEU 99 2HD1 LEU 99 -8.224 23.754 -13.877 740 HD13 LEU 99 3HD1 LEU 99 -7.230 24.742 -12.775 741 HD21 LEU 99 1HD2 LEU 99 -10.831 25.221 -13.386 742 HD22 LEU 99 2HD2 LEU 99 -11.407 24.330 -11.969 743 HD23 LEU 99 3HD2 LEU 99 -10.718 23.444 -13.356 744 H ASN 100 H ASN 100 -10.882 20.573 -10.964 745 HA ASN 100 HA ASN 100 -9.475 18.834 -9.065 746 HB2 ASN 100 1HB ASN 100 -11.885 18.528 -9.661 747 HB3 ASN 100 2HB ASN 100 -11.396 18.124 -11.314 748 HD21 ASN 100 1HD2 ASN 100 -11.362 14.782 -10.371 749 HD22 ASN 100 2HD2 ASN 100 -11.977 16.030 -11.426 750 H THR 101 H THR 101 -7.355 19.555 -10.036 751 HA THR 101 HA THR 101 -6.526 17.561 -12.088 752 HB THR 101 HB THR 101 -7.049 20.033 -13.007 753 HG1 THR 101 HG1 THR 101 -5.515 19.656 -14.585 754 HG21 THR 101 1HG2 THR 101 -5.130 21.495 -13.001 755 HG22 THR 101 2HG2 THR 101 -4.181 20.321 -12.051 756 HG23 THR 101 3HG2 THR 101 -5.593 21.144 -11.322 757 HA PRO 102 HA PRO 102 -3.305 17.079 -9.141 758 HB2 PRO 102 1HB PRO 102 -1.052 16.682 -10.672 759 HB3 PRO 102 2HB PRO 102 -2.324 15.435 -10.433 760 HG2 PRO 102 1HG PRO 102 -1.954 17.380 -12.697 761 HG3 PRO 102 2HG PRO 102 -2.256 15.614 -12.760 762 HD2 PRO 102 1HD PRO 102 -4.234 17.336 -13.110 763 HD3 PRO 102 2HD PRO 102 -4.486 15.850 -12.139 764 H LYS 103 H LYS 103 -1.688 18.054 -8.031 765 HA LYS 103 HA LYS 103 -0.732 20.719 -9.020 766 HB2 LYS 103 1HB LYS 103 -1.482 19.875 -6.218 767 HB3 LYS 103 2HB LYS 103 -0.992 21.488 -6.718 768 HG2 LYS 103 1HG LYS 103 -3.534 20.047 -7.502 769 HG3 LYS 103 2HG LYS 103 -3.416 21.350 -6.326 770 HD2 LYS 103 1HD LYS 103 -2.754 22.917 -8.067 771 HD3 LYS 103 2HD LYS 103 -2.739 21.629 -9.281 772 HE2 LYS 103 1HE LYS 103 -5.137 21.259 -8.965 773 HE3 LYS 103 2HE LYS 103 -5.170 22.499 -7.702 774 HZ1 LYS 103 1HZ LYS 103 -5.873 23.540 -9.659 775 HZ2 LYS 103 2HZ LYS 103 -4.652 22.904 -10.579 776 HZ3 LYS 103 3HZ LYS 103 -4.319 24.063 -9.448 777 H ASP 104 H ASP 104 0.550 18.244 -9.364 778 HA ASP 104 HA ASP 104 2.362 17.337 -7.477 779 HB2 ASP 104 1HB ASP 104 3.677 16.576 -9.396 780 HB3 ASP 104 2HB ASP 104 1.951 16.378 -9.742 781 H HIS 105 H HIS 105 2.769 20.030 -9.723 782 HA HIS 105 HA HIS 105 5.477 20.662 -9.029 783 HB2 HIS 105 1HB HIS 105 5.028 22.694 -10.375 784 HB3 HIS 105 2HB HIS 105 4.511 21.210 -11.188 785 HD1 HIS 105 HD1 HIS 105 1.870 20.735 -11.354 786 HD2 HIS 105 HD2 HIS 105 2.971 24.523 -9.867 787 HE1 HIS 105 HE1 HIS 105 -0.230 22.204 -11.362 788 H ILE 106 H ILE 106 2.614 21.223 -7.260 789 HA ILE 106 HA ILE 106 3.705 23.702 -6.043 790 HB ILE 106 HB ILE 106 1.051 22.260 -5.484 791 HG12 ILE 106 1HG1 ILE 106 1.713 24.677 -7.218 792 HG13 ILE 106 2HG1 ILE 106 1.208 23.085 -7.790 793 HG21 ILE 106 1HG2 ILE 106 0.443 24.388 -4.328 794 HG22 ILE 106 2HG2 ILE 106 2.045 25.067 -4.690 795 HG23 ILE 106 3HG2 ILE 106 1.881 23.686 -3.582 796 HD11 ILE 106 1HD1 ILE 106 -0.740 24.250 -7.940 797 HD12 ILE 106 2HD1 ILE 106 -0.406 25.224 -6.486 798 HD13 ILE 106 3HD1 ILE 106 -0.911 23.524 -6.323 799 H GLY 107 H GLY 107 2.722 20.347 -5.164 800 HA2 GLY 107 1HA GLY 107 3.591 20.704 -2.429 801 HA3 GLY 107 2HA GLY 107 3.113 19.196 -3.189 802 H THR 108 H THR 108 5.667 20.832 -4.813 803 HA THR 108 HA THR 108 7.565 18.785 -3.838 804 HB THR 108 HB THR 108 7.262 19.090 -6.293 805 HG1 THR 108 HG1 THR 108 9.768 19.723 -5.122 806 HG21 THR 108 1HG2 THR 108 8.089 21.053 -7.435 807 HG22 THR 108 2HG2 THR 108 8.604 21.796 -5.908 808 HG23 THR 108 3HG2 THR 108 6.875 21.577 -6.254 809 H ARG 109 H ARG 109 6.713 21.196 -2.213 810 HA ARG 109 HA ARG 109 8.811 23.116 -2.097 811 HB2 ARG 109 1HB ARG 109 6.619 23.241 -0.820 812 HB3 ARG 109 2HB ARG 109 7.254 22.000 0.265 813 HG2 ARG 109 1HG ARG 109 9.207 23.578 0.752 814 HG3 ARG 109 2HG ARG 109 8.317 24.821 -0.135 815 HD2 ARG 109 1HD ARG 109 7.907 25.100 2.219 816 HD3 ARG 109 2HD ARG 109 6.430 24.523 1.453 817 HE ARG 109 HE ARG 109 6.565 22.534 2.642 818 HH11 ARG 109 1HH1 ARG 109 9.587 24.313 3.168 819 HH12 ARG 109 2HH1 ARG 109 10.048 23.279 4.481 820 HH21 ARG 109 1HH2 ARG 109 7.213 21.317 4.322 821 HH22 ARG 109 2HH2 ARG 109 8.751 21.598 5.112 822 H ASN 110 H ASN 110 10.824 23.104 -1.204 823 HA ASN 110 HA ASN 110 11.734 20.484 -0.090 824 HB2 ASN 110 1HB ASN 110 12.810 22.215 -2.113 825 HB3 ASN 110 2HB ASN 110 13.904 22.234 -0.721 826 HD21 ASN 110 1HD2 ASN 110 14.303 19.274 -3.195 827 HD22 ASN 110 2HD2 ASN 110 13.715 20.877 -3.557 828 HA PRO 111 HA PRO 111 11.953 22.929 3.583 829 HB2 PRO 111 1HB PRO 111 13.268 21.266 5.288 830 HB3 PRO 111 2HB PRO 111 11.592 20.937 4.738 831 HG2 PRO 111 1HG PRO 111 14.178 19.838 3.665 832 HG3 PRO 111 2HG PRO 111 12.694 18.958 4.154 833 HD2 PRO 111 1HD PRO 111 13.209 19.582 1.570 834 HD3 PRO 111 2HD PRO 111 11.539 19.607 2.219 835 H ALA 112 H ALA 112 14.752 21.818 1.862 836 HA ALA 112 HA ALA 112 16.712 23.213 3.488 837 HB1 ALA 112 1HB ALA 112 17.310 21.265 2.068 838 HB2 ALA 112 2HB ALA 112 18.220 22.714 1.583 839 HB3 ALA 112 3HB ALA 112 16.832 22.175 0.610 840 H ASN 113 H ASN 113 14.487 24.037 0.942 841 HA ASN 113 HA ASN 113 15.991 26.515 0.294 842 HB2 ASN 113 1HB ASN 113 13.654 25.143 -1.083 843 HB3 ASN 113 2HB ASN 113 14.434 26.626 -1.638 844 HD21 ASN 113 1HD2 ASN 113 15.810 23.578 -3.363 845 HD22 ASN 113 2HD2 ASN 113 14.182 24.124 -3.039 846 H ASN 114 H ASN 114 13.065 25.436 1.897 847 HA ASN 114 HA ASN 114 12.385 28.234 2.501 848 HB2 ASN 114 1HB ASN 114 11.239 27.949 0.404 849 HB3 ASN 114 2HB ASN 114 10.538 26.407 0.940 850 HD21 ASN 114 1HD2 ASN 114 7.830 27.908 2.429 851 HD22 ASN 114 2HD2 ASN 114 8.566 26.555 1.609 852 H ALA 115 H ALA 115 10.930 28.503 4.212 853 HA ALA 115 HA ALA 115 10.727 26.139 5.995 854 HB1 ALA 115 1HB ALA 115 11.701 28.229 6.898 855 HB2 ALA 115 2HB ALA 115 10.184 27.814 7.731 856 HB3 ALA 115 3HB ALA 115 10.199 29.101 6.504 857 H ALA 116 H ALA 116 8.760 25.441 6.866 858 HA ALA 116 HA ALA 116 6.441 25.735 5.187 859 HB1 ALA 116 1HB ALA 116 6.958 23.633 6.397 860 HB2 ALA 116 2HB ALA 116 5.352 24.260 6.818 861 HB3 ALA 116 3HB ALA 116 6.707 24.474 7.949 862 H ILE 117 H ILE 117 4.442 26.640 5.673 863 HA ILE 117 HA ILE 117 4.590 29.062 7.387 864 HB ILE 117 HB ILE 117 2.370 28.094 5.529 865 HG12 ILE 117 1HG1 ILE 117 3.973 30.319 4.521 866 HG13 ILE 117 2HG1 ILE 117 4.935 28.853 4.711 867 HG21 ILE 117 1HG2 ILE 117 1.715 30.516 5.461 868 HG22 ILE 117 2HG2 ILE 117 2.967 30.866 6.676 869 HG23 ILE 117 3HG2 ILE 117 1.581 29.823 7.085 870 HD11 ILE 117 1HD1 ILE 117 3.977 28.948 2.479 871 HD12 ILE 117 2HD1 ILE 117 2.338 29.091 3.156 872 HD13 ILE 117 3HD1 ILE 117 3.267 27.587 3.382 873 H VAL 118 H VAL 118 3.238 29.358 9.220 874 HA VAL 118 HA VAL 118 2.192 27.049 10.529 875 HB VAL 118 HB VAL 118 2.641 28.823 11.984 876 HG11 VAL 118 1HG1 VAL 118 1.638 31.090 11.782 877 HG12 VAL 118 2HG1 VAL 118 1.032 30.640 10.171 878 HG13 VAL 118 3HG1 VAL 118 2.785 30.690 10.494 879 HG21 VAL 118 1HG2 VAL 118 0.531 29.378 13.070 880 HG22 VAL 118 2HG2 VAL 118 0.462 27.703 12.488 881 HG23 VAL 118 3HG2 VAL 118 -0.383 28.992 11.601 882 H LEU 119 H LEU 119 0.400 25.920 10.212 883 HA LEU 119 HA LEU 119 -1.274 26.512 7.960 884 HB2 LEU 119 1HB LEU 119 -0.633 24.264 8.975 885 HB3 LEU 119 2HB LEU 119 -1.853 24.554 10.206 886 HG LEU 119 HG LEU 119 -2.642 24.713 7.301 887 HD11 LEU 119 1HD1 LEU 119 -2.963 22.306 7.199 888 HD12 LEU 119 2HD1 LEU 119 -2.296 22.114 8.839 889 HD13 LEU 119 3HD1 LEU 119 -1.259 22.670 7.516 890 HD21 LEU 119 1HD2 LEU 119 -4.379 25.241 8.901 891 HD22 LEU 119 2HD2 LEU 119 -4.006 23.802 9.865 892 HD23 LEU 119 3HD2 LEU 119 -4.731 23.630 8.255 893 H GLN 120 H GLN 120 -3.101 27.642 7.813 894 HA GLN 120 HA GLN 120 -4.588 28.413 10.293 895 HB2 GLN 120 1HB GLN 120 -3.780 30.167 7.954 896 HB3 GLN 120 2HB GLN 120 -4.941 30.639 9.200 897 HG2 GLN 120 1HG GLN 120 -3.311 30.876 10.827 898 HG3 GLN 120 2HG GLN 120 -2.193 29.788 10.006 899 HE21 GLN 120 1HE2 GLN 120 -0.718 32.240 7.998 900 HE22 GLN 120 2HE2 GLN 120 -0.895 30.529 8.333 901 H LEU 121 H LEU 121 -6.847 28.891 9.798 902 HA LEU 121 HA LEU 121 -7.737 27.615 7.241 903 HB2 LEU 121 1HB LEU 121 -8.884 27.657 10.028 904 HB3 LEU 121 2HB LEU 121 -9.970 27.560 8.653 905 HG LEU 121 HG LEU 121 -7.812 25.535 9.303 906 HD11 LEU 121 1HD1 LEU 121 -9.818 24.125 9.841 907 HD12 LEU 121 2HD1 LEU 121 -10.837 25.561 9.626 908 HD13 LEU 121 3HD1 LEU 121 -9.623 25.522 10.920 909 HD21 LEU 121 1HD2 LEU 121 -8.231 25.538 6.895 910 HD22 LEU 121 2HD2 LEU 121 -9.984 25.568 7.152 911 HD23 LEU 121 3HD2 LEU 121 -9.035 24.130 7.601 912 HA PRO 122 HA PRO 122 -9.306 31.583 6.301 913 HB2 PRO 122 1HB PRO 122 -11.254 31.046 4.486 914 HB3 PRO 122 2HB PRO 122 -9.509 30.749 4.128 915 HG2 PRO 122 1HG PRO 122 -11.606 28.819 5.101 916 HG3 PRO 122 2HG PRO 122 -10.501 28.663 3.699 917 HD2 PRO 122 1HD PRO 122 -9.935 27.534 6.070 918 HD3 PRO 122 2HD PRO 122 -8.646 28.265 5.053 919 H GLN 123 H GLN 123 -11.273 32.939 6.319 920 HA GLN 123 HA GLN 123 -12.703 32.704 8.723 921 HB2 GLN 123 1HB GLN 123 -12.374 34.778 7.351 922 HB3 GLN 123 2HB GLN 123 -13.540 34.155 6.180 923 HG2 GLN 123 1HG GLN 123 -15.303 34.197 7.897 924 HG3 GLN 123 2HG GLN 123 -14.136 34.794 9.088 925 HE21 GLN 123 1HE2 GLN 123 -16.135 37.425 6.950 926 HE22 GLN 123 2HE2 GLN 123 -16.616 35.776 7.268 927 H GLY 124 H GLY 124 -14.487 31.635 9.337 928 HA2 GLY 124 1HA GLY 124 -16.645 30.708 8.986 929 HA3 GLY 124 2HA GLY 124 -16.295 30.530 7.263 930 H THR 125 H THR 125 -13.511 29.335 8.175 931 HA THR 125 HA THR 125 -14.677 26.630 8.683 932 HB THR 125 HB THR 125 -11.896 27.197 7.609 933 HG1 THR 125 HG1 THR 125 -13.494 28.083 6.212 934 HG21 THR 125 1HG2 THR 125 -13.754 24.793 7.299 935 HG22 THR 125 2HG2 THR 125 -12.466 24.886 8.510 936 HG23 THR 125 3HG2 THR 125 -12.063 24.917 6.787 937 H THR 126 H THR 126 -14.311 25.634 10.524 938 HA THR 126 HA THR 126 -12.147 26.669 12.304 939 HB THR 126 HB THR 126 -13.639 25.780 14.170 940 HG1 THR 126 HG1 THR 126 -15.045 24.547 12.881 941 HG21 THR 126 1HG2 THR 126 -15.036 27.765 14.221 942 HG22 THR 126 2HG2 THR 126 -14.754 28.043 12.487 943 HG23 THR 126 3HG2 THR 126 -13.402 28.171 13.644 944 H LEU 127 H LEU 127 -11.011 25.204 13.511 945 HA LEU 127 HA LEU 127 -10.617 22.609 12.314 946 HB2 LEU 127 1HB LEU 127 -9.763 23.665 15.014 947 HB3 LEU 127 2HB LEU 127 -9.179 22.185 14.304 948 HG LEU 127 HG LEU 127 -8.700 24.929 13.106 949 HD11 LEU 127 1HD1 LEU 127 -6.412 24.694 13.968 950 HD12 LEU 127 2HD1 LEU 127 -6.854 23.158 14.753 951 HD13 LEU 127 3HD1 LEU 127 -7.592 24.682 15.297 952 HD21 LEU 127 1HD2 LEU 127 -7.030 23.761 11.740 953 HD22 LEU 127 2HD2 LEU 127 -8.629 23.052 11.483 954 HD23 LEU 127 3HD2 LEU 127 -7.450 22.213 12.513 955 HA PRO 128 HA PRO 128 -13.742 20.497 14.533 956 HB2 PRO 128 1HB PRO 128 -12.834 17.936 14.704 957 HB3 PRO 128 2HB PRO 128 -13.277 18.684 13.137 958 HG2 PRO 128 1HG PRO 128 -10.590 18.332 14.380 959 HG3 PRO 128 2HG PRO 128 -11.124 17.992 12.710 960 HD2 PRO 128 1HD PRO 128 -9.799 20.277 13.448 961 HD3 PRO 128 2HD PRO 128 -10.970 20.243 12.099 962 H LYS 129 H LYS 129 -14.138 19.138 16.564 963 HA LYS 129 HA LYS 129 -12.924 20.479 18.755 964 HB2 LYS 129 1HB LYS 129 -15.197 19.385 18.738 965 HB3 LYS 129 2HB LYS 129 -14.398 17.811 18.745 966 HG2 LYS 129 1HG LYS 129 -15.089 18.249 20.975 967 HG3 LYS 129 2HG LYS 129 -13.331 18.449 20.949 968 HD2 LYS 129 1HD LYS 129 -13.622 20.915 20.798 969 HD3 LYS 129 2HD LYS 129 -15.382 20.706 20.827 970 HE2 LYS 129 1HE LYS 129 -13.491 19.791 23.034 971 HE3 LYS 129 2HE LYS 129 -14.379 21.327 23.047 972 HZ1 LYS 129 1HZ LYS 129 -15.544 19.628 24.301 973 HZ2 LYS 129 2HZ LYS 129 -15.623 18.636 22.984 974 HZ3 LYS 129 3HZ LYS 129 -16.445 20.065 22.990 975 H GLY 130 H GLY 130 -10.968 20.232 19.605 976 HA2 GLY 130 1HA GLY 130 -9.286 18.974 20.670 977 HA3 GLY 130 2HA GLY 130 -9.883 17.515 19.886 978 H PHE 131 H PHE 131 -8.906 20.613 18.337 979 HA PHE 131 HA PHE 131 -6.426 19.310 17.379 980 HB2 PHE 131 1HB PHE 131 -8.819 19.834 15.766 981 HB3 PHE 131 2HB PHE 131 -7.391 20.667 15.146 982 HD1 PHE 131 HD1 PHE 131 -9.006 17.420 15.653 983 HD2 PHE 131 HD2 PHE 131 -5.383 19.402 14.474 984 HE1 PHE 131 HE1 PHE 131 -8.215 15.321 14.581 985 HE2 PHE 131 HE2 PHE 131 -4.574 17.302 13.400 986 HZ PHE 131 HZ PHE 131 -5.995 15.264 13.452 987 H TYR 132 H TYR 132 -4.796 20.779 16.824 988 HA TYR 132 HA TYR 132 -5.451 23.653 16.768 989 HB2 TYR 132 1HB TYR 132 -3.774 24.265 18.418 990 HB3 TYR 132 2HB TYR 132 -5.024 23.261 19.150 991 HD1 TYR 132 HD1 TYR 132 -4.505 20.907 19.850 992 HD2 TYR 132 HD2 TYR 132 -1.450 23.507 18.273 993 HE1 TYR 132 HE1 TYR 132 -2.743 19.430 20.808 994 HE2 TYR 132 HE2 TYR 132 0.303 22.017 19.240 995 HH TYR 132 HH TYR 132 -0.524 19.132 21.181 996 H ALA 133 H ALA 133 -3.426 24.901 16.102 997 HA ALA 133 HA ALA 133 -2.003 23.235 14.089 998 HB1 ALA 133 1HB ALA 133 -3.451 25.059 13.212 999 HB2 ALA 133 2HB ALA 133 -1.735 25.324 12.826 1000 HB3 ALA 133 3HB ALA 133 -2.500 26.242 14.143 1001 H GLU 134 H GLU 134 0.152 23.201 13.900 1002 HA GLU 134 HA GLU 134 1.748 24.062 16.180 1003 HB2 GLU 134 1HB GLU 134 2.197 21.998 14.915 1004 HB3 GLU 134 2HB GLU 134 2.464 22.931 13.450 1005 HG2 GLU 134 1HG GLU 134 4.584 22.275 14.300 1006 HG3 GLU 134 2HG GLU 134 4.416 24.021 14.547 1007 H GLY 135 H GLY 135 3.251 25.751 16.274 1008 HA2 GLY 135 1HA GLY 135 4.516 27.533 15.359 1009 HA3 GLY 135 2HA GLY 135 3.530 27.501 13.893 1010 H SER 136 H SER 136 0.947 27.614 15.180 1011 HA SER 136 HA SER 136 0.806 30.466 15.688 1012 HB2 SER 136 1HB SER 136 -1.060 29.159 14.649 1013 HB3 SER 136 2HB SER 136 -1.290 28.313 16.193 1014 HG SER 136 HG SER 136 -2.699 30.065 16.069 1015 H ARG 137 H ARG 137 1.367 31.405 17.558 1016 HA ARG 137 HA ARG 137 1.469 29.740 20.009 1017 HB2 ARG 137 1HB ARG 137 2.823 32.156 18.995 1018 HB3 ARG 137 2HB ARG 137 2.381 32.257 20.703 1019 HG2 ARG 137 1HG ARG 137 3.867 29.880 19.540 1020 HG3 ARG 137 2HG ARG 137 4.701 31.319 20.155 1021 HD2 ARG 137 1HD ARG 137 2.755 29.635 21.791 1022 HD3 ARG 137 2HD ARG 137 4.516 29.457 21.842 1023 HE ARG 137 HE ARG 137 2.900 31.649 22.986 1024 HH11 ARG 137 1HH1 ARG 137 6.173 30.528 22.220 1025 HH12 ARG 137 2HH1 ARG 137 6.903 31.689 23.295 1026 HH21 ARG 137 1HH2 ARG 137 3.897 33.074 24.280 1027 HH22 ARG 137 2HH2 ARG 137 5.635 33.106 24.446 1028 H GLY 138 H GLY 138 -0.029 32.786 18.891 1029 HA2 GLY 138 1HA GLY 138 -2.029 33.718 19.580 1030 HA3 GLY 138 2HA GLY 138 -2.273 32.345 20.662 1031 H GLY 139 H GLY 139 -0.557 32.371 22.585 1032 HA2 GLY 139 1HA GLY 139 -0.488 35.172 23.648 1033 HA3 GLY 139 2HA GLY 139 -1.132 33.824 24.591 1034 H SER 140 H SER 140 0.416 34.449 26.189 1035 HA SER 140 HA SER 140 3.262 34.239 25.712 1036 HB2 SER 140 1HB SER 140 2.282 35.590 27.560 1037 HB3 SER 140 2HB SER 140 1.702 34.086 28.317 1038 HG SER 140 HG SER 140 4.032 33.435 28.103 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 5.193 4.162 -15.596 2 H2 GLY 1 2H GLY 1 4.919 5.788 -15.663 3 H3 GLY 1 3H GLY 1 4.428 4.923 -14.347 4 HA2 GLY 1 1HA GLY 1 6.667 4.426 -13.748 5 HA3 GLY 1 2HA GLY 1 7.213 5.339 -15.171 6 H ALA 2 H ALA 2 7.849 5.843 -12.365 7 HA ALA 2 HA ALA 2 6.235 7.856 -11.251 8 HB1 ALA 2 1HB ALA 2 7.899 6.588 -9.978 9 HB2 ALA 2 2HB ALA 2 8.239 8.330 -9.858 10 HB3 ALA 2 3HB ALA 2 9.216 7.312 -10.936 11 H MET 3 H MET 3 6.139 9.981 -11.269 12 HA MET 3 HA MET 3 8.211 11.617 -12.624 13 HB2 MET 3 1HB MET 3 6.389 11.302 -14.332 14 HB3 MET 3 2HB MET 3 5.200 11.832 -13.132 15 HG2 MET 3 1HG MET 3 6.275 14.042 -13.025 16 HG3 MET 3 2HG MET 3 7.489 13.516 -14.206 17 HE1 MET 3 1HE MET 3 5.242 16.063 -16.238 18 HE2 MET 3 2HE MET 3 6.895 15.675 -15.707 19 HE3 MET 3 3HE MET 3 5.666 16.163 -14.512 20 H GLY 4 H GLY 4 8.417 13.502 -11.237 21 HA2 GLY 4 1HA GLY 4 7.927 14.791 -9.324 22 HA3 GLY 4 2HA GLY 4 6.405 13.892 -9.130 23 H LEU 5 H LEU 5 9.729 12.682 -9.479 24 HA LEU 5 HA LEU 5 9.473 10.719 -7.435 25 HB2 LEU 5 1HB LEU 5 11.860 11.973 -8.818 26 HB3 LEU 5 2HB LEU 5 12.051 10.809 -7.516 27 HG LEU 5 HG LEU 5 10.725 9.150 -8.882 28 HD11 LEU 5 1HD1 LEU 5 10.722 9.513 -11.360 29 HD12 LEU 5 2HD1 LEU 5 11.186 11.208 -11.085 30 HD13 LEU 5 3HD1 LEU 5 9.618 10.596 -10.498 31 HD21 LEU 5 1HD2 LEU 5 12.674 8.577 -10.276 32 HD22 LEU 5 2HD2 LEU 5 13.172 9.097 -8.653 33 HD23 LEU 5 3HD2 LEU 5 13.337 10.212 -10.032 34 HA PRO 6 HA PRO 6 9.830 13.371 -4.046 35 HB2 PRO 6 1HB PRO 6 10.760 11.783 -2.019 36 HB3 PRO 6 2HB PRO 6 9.105 11.628 -2.694 37 HG2 PRO 6 1HG PRO 6 11.578 10.048 -3.382 38 HG3 PRO 6 2HG PRO 6 9.944 9.451 -2.940 39 HD2 PRO 6 1HD PRO 6 10.714 9.650 -5.515 40 HD3 PRO 6 2HD PRO 6 9.039 10.063 -5.013 41 H ASN 7 H ASN 7 11.171 14.874 -3.478 42 HA ASN 7 HA ASN 7 14.083 14.319 -3.140 43 HB2 ASN 7 1HB ASN 7 13.678 15.242 -5.462 44 HB3 ASN 7 2HB ASN 7 12.937 16.666 -4.719 45 HD21 ASN 7 1HD2 ASN 7 16.318 17.748 -5.343 46 HD22 ASN 7 2HD2 ASN 7 14.805 17.480 -6.174 47 H ASN 8 H ASN 8 12.926 14.219 -1.069 48 HA ASN 8 HA ASN 8 12.497 14.978 1.014 49 HB2 ASN 8 1HB ASN 8 14.286 16.765 0.356 50 HB3 ASN 8 2HB ASN 8 12.902 17.863 0.299 51 HD21 ASN 8 1HD2 ASN 8 14.593 17.037 3.771 52 HD22 ASN 8 2HD2 ASN 8 15.313 16.775 2.201 53 H THR 9 H THR 9 11.242 17.276 -1.413 54 HA THR 9 HA THR 9 9.105 18.233 -1.579 55 HB THR 9 HB THR 9 7.494 16.358 -2.237 56 HG1 THR 9 HG1 THR 9 8.560 14.770 -0.916 57 HG21 THR 9 1HG2 THR 9 8.786 17.446 -3.962 58 HG22 THR 9 2HG2 THR 9 8.920 15.701 -4.232 59 HG23 THR 9 3HG2 THR 9 10.266 16.592 -3.485 60 H ALA 10 H ALA 10 8.719 19.143 0.468 61 HA ALA 10 HA ALA 10 7.083 17.516 2.323 62 HB1 ALA 10 1HB ALA 10 9.227 18.470 3.143 63 HB2 ALA 10 2HB ALA 10 7.820 19.118 4.023 64 HB3 ALA 10 3HB ALA 10 8.620 20.105 2.769 65 H SER 11 H SER 11 5.397 18.439 3.449 66 HA SER 11 HA SER 11 3.430 19.873 1.996 67 HB2 SER 11 1HB SER 11 2.872 18.498 3.943 68 HB3 SER 11 2HB SER 11 3.872 19.524 4.991 69 HG SER 11 HG SER 11 1.431 20.157 3.686 70 H TRP 12 H TRP 12 2.852 22.018 1.934 71 HA TRP 12 HA TRP 12 4.848 23.991 2.371 72 HB2 TRP 12 1HB TRP 12 2.043 23.935 1.466 73 HB3 TRP 12 2HB TRP 12 2.585 25.457 2.194 74 HD1 TRP 12 HD1 TRP 12 2.931 23.422 -0.930 75 HE1 TRP 12 HE1 TRP 12 4.458 24.529 -2.608 76 HE3 TRP 12 HE3 TRP 12 4.776 27.058 2.137 77 HZ2 TRP 12 HZ2 TRP 12 6.312 26.687 -2.624 78 HZ3 TRP 12 HZ3 TRP 12 6.441 28.678 1.203 79 HH2 TRP 12 HH2 TRP 12 7.211 28.474 -1.162 80 H PHE 13 H PHE 13 2.570 22.636 4.586 81 HA PHE 13 HA PHE 13 2.800 25.073 6.289 82 HB2 PHE 13 1HB PHE 13 0.539 23.067 6.065 83 HB3 PHE 13 2HB PHE 13 0.579 24.467 7.140 84 HD1 PHE 13 HD1 PHE 13 0.020 23.314 3.709 85 HD2 PHE 13 HD2 PHE 13 0.433 26.753 6.257 86 HE1 PHE 13 HE1 PHE 13 -0.984 24.743 1.937 87 HE2 PHE 13 HE2 PHE 13 -0.545 28.187 4.488 88 HZ PHE 13 HZ PHE 13 -1.252 27.185 2.326 89 H THR 14 H THR 14 2.486 24.809 8.546 90 HA THR 14 HA THR 14 4.070 22.658 9.658 91 HB THR 14 HB THR 14 3.397 23.614 11.848 92 HG1 THR 14 HG1 THR 14 1.933 25.254 11.965 93 HG21 THR 14 1HG2 THR 14 5.283 24.654 10.648 94 HG22 THR 14 2HG2 THR 14 4.372 25.849 11.594 95 HG23 THR 14 3HG2 THR 14 4.156 25.763 9.836 96 H ALA 15 H ALA 15 3.195 21.253 11.412 97 HA ALA 15 HA ALA 15 0.995 19.798 10.277 98 HB1 ALA 15 1HB ALA 15 1.574 18.106 11.782 99 HB2 ALA 15 2HB ALA 15 2.231 19.256 12.978 100 HB3 ALA 15 3HB ALA 15 3.119 18.924 11.473 101 H LEU 16 H LEU 16 -1.049 19.502 10.960 102 HA LEU 16 HA LEU 16 -2.090 21.173 13.198 103 HB2 LEU 16 1HB LEU 16 -3.280 19.233 11.181 104 HB3 LEU 16 2HB LEU 16 -4.147 19.647 12.642 105 HG LEU 16 HG LEU 16 -3.387 21.554 10.455 106 HD11 LEU 16 1HD1 LEU 16 -5.806 21.656 10.074 107 HD12 LEU 16 2HD1 LEU 16 -6.085 20.528 11.423 108 HD13 LEU 16 3HD1 LEU 16 -5.246 19.976 9.957 109 HD21 LEU 16 1HD2 LEU 16 -4.822 23.158 11.770 110 HD22 LEU 16 2HD2 LEU 16 -3.263 22.766 12.508 111 HD23 LEU 16 3HD2 LEU 16 -4.754 22.008 13.123 112 H THR 17 H THR 17 -2.632 20.185 15.209 113 HA THR 17 HA THR 17 -1.707 17.342 15.442 114 HB THR 17 HB THR 17 -1.340 19.570 17.475 115 HG1 THR 17 HG1 THR 17 0.044 19.877 15.742 116 HG21 THR 17 1HG2 THR 17 -0.403 16.683 17.351 117 HG22 THR 17 2HG2 THR 17 -1.481 17.424 18.564 118 HG23 THR 17 3HG2 THR 17 0.228 17.899 18.486 119 H GLN 18 H GLN 18 -2.958 15.968 16.513 120 HA GLN 18 HA GLN 18 -5.631 16.953 17.387 121 HB2 GLN 18 1HB GLN 18 -5.564 15.189 15.682 122 HB3 GLN 18 2HB GLN 18 -4.493 14.232 16.670 123 HG2 GLN 18 1HG GLN 18 -6.693 13.249 16.721 124 HG3 GLN 18 2HG GLN 18 -6.303 13.860 18.322 125 HE21 GLN 18 1HE2 GLN 18 -9.739 14.876 16.691 126 HE22 GLN 18 2HE2 GLN 18 -8.748 13.490 16.258 127 H HIS 19 H HIS 19 -6.356 16.762 19.408 128 HA HIS 19 HA HIS 19 -4.935 14.871 21.253 129 HB2 HIS 19 1HB HIS 19 -4.484 17.269 21.870 130 HB3 HIS 19 2HB HIS 19 -6.226 17.540 21.977 131 HD1 HIS 19 HD1 HIS 19 -5.094 18.182 24.552 132 HD2 HIS 19 HD2 HIS 19 -5.704 14.193 23.514 133 HE1 HIS 19 HE1 HIS 19 -5.133 16.856 26.707 134 H GLY 20 H GLY 20 -6.362 13.199 20.944 135 HA2 GLY 20 1HA GLY 20 -8.802 12.947 22.118 136 HA3 GLY 20 2HA GLY 20 -9.213 13.722 20.568 137 H LYS 21 H LYS 21 -10.356 11.461 20.479 138 HA LYS 21 HA LYS 21 -8.466 9.313 19.667 139 HB2 LYS 21 1HB LYS 21 -11.430 9.349 20.300 140 HB3 LYS 21 2HB LYS 21 -10.599 7.949 19.623 141 HG2 LYS 21 1HG LYS 21 -9.035 8.002 21.597 142 HG3 LYS 21 2HG LYS 21 -10.066 9.262 22.306 143 HD2 LYS 21 1HD LYS 21 -12.001 7.714 22.215 144 HD3 LYS 21 2HD LYS 21 -10.956 6.460 21.514 145 HE2 LYS 21 1HE LYS 21 -9.521 6.545 23.549 146 HE3 LYS 21 2HE LYS 21 -10.624 7.744 24.257 147 HZ1 LYS 21 1HZ LYS 21 -12.391 6.085 24.147 148 HZ2 LYS 21 2HZ LYS 21 -11.123 5.507 25.031 149 HZ3 LYS 21 3HZ LYS 21 -11.364 4.975 23.489 150 H GLU 22 H GLU 22 -10.702 11.538 18.211 151 HA GLU 22 HA GLU 22 -11.295 9.949 15.879 152 HB2 GLU 22 1HB GLU 22 -11.382 12.949 16.318 153 HB3 GLU 22 2HB GLU 22 -12.061 12.109 14.921 154 HG2 GLU 22 1HG GLU 22 -13.619 10.900 16.383 155 HG3 GLU 22 2HG GLU 22 -12.923 11.699 17.805 156 H ASP 23 H ASP 23 -10.558 10.402 13.682 157 HA ASP 23 HA ASP 23 -7.673 10.609 13.637 158 HB2 ASP 23 1HB ASP 23 -9.739 9.575 11.974 159 HB3 ASP 23 2HB ASP 23 -8.877 10.775 11.002 160 H LEU 24 H LEU 24 -10.166 12.384 11.860 161 HA LEU 24 HA LEU 24 -9.820 15.040 12.397 162 HB2 LEU 24 1HB LEU 24 -7.451 15.010 11.654 163 HB3 LEU 24 2HB LEU 24 -7.903 14.179 10.180 164 HG LEU 24 HG LEU 24 -9.059 16.174 9.366 165 HD11 LEU 24 1HD1 LEU 24 -9.729 17.193 11.554 166 HD12 LEU 24 2HD1 LEU 24 -8.929 18.335 10.464 167 HD13 LEU 24 3HD1 LEU 24 -8.036 17.636 11.830 168 HD21 LEU 24 1HD2 LEU 24 -7.082 17.573 9.003 169 HD22 LEU 24 2HD2 LEU 24 -6.684 15.848 8.876 170 HD23 LEU 24 3HD2 LEU 24 -6.247 16.752 10.344 171 H LYS 25 H LYS 25 -11.439 16.032 11.060 172 HA LYS 25 HA LYS 25 -12.041 14.817 8.472 173 HB2 LYS 25 1HB LYS 25 -13.252 13.457 10.316 174 HB3 LYS 25 2HB LYS 25 -14.272 14.879 10.541 175 HG2 LYS 25 1HG LYS 25 -13.930 13.757 7.772 176 HG3 LYS 25 2HG LYS 25 -14.943 12.873 8.926 177 HD2 LYS 25 1HD LYS 25 -16.337 14.855 9.274 178 HD3 LYS 25 2HD LYS 25 -15.313 15.787 8.167 179 HE2 LYS 25 1HE LYS 25 -15.841 14.165 6.354 180 HE3 LYS 25 2HE LYS 25 -16.965 13.342 7.462 181 HZ1 LYS 25 1HZ LYS 25 -17.134 16.159 6.573 182 HZ2 LYS 25 2HZ LYS 25 -18.163 15.452 7.656 183 HZ3 LYS 25 3HZ LYS 25 -18.124 14.928 6.090 184 H PHE 26 H PHE 26 -12.678 16.424 7.120 185 HA PHE 26 HA PHE 26 -13.727 18.923 8.377 186 HB2 PHE 26 1HB PHE 26 -11.970 18.460 5.954 187 HB3 PHE 26 2HB PHE 26 -12.945 19.923 6.111 188 HD1 PHE 26 HD1 PHE 26 -12.759 20.736 8.867 189 HD2 PHE 26 HD2 PHE 26 -9.659 19.049 6.357 190 HE1 PHE 26 HE1 PHE 26 -11.026 21.831 10.263 191 HE2 PHE 26 HE2 PHE 26 -7.949 20.122 7.792 192 HZ PHE 26 HZ PHE 26 -8.613 21.528 9.723 193 HA PRO 27 HA PRO 27 -17.446 18.062 6.025 194 HB2 PRO 27 1HB PRO 27 -18.410 20.642 5.757 195 HB3 PRO 27 2HB PRO 27 -18.551 19.681 7.263 196 HG2 PRO 27 1HG PRO 27 -16.492 21.730 6.531 197 HG3 PRO 27 2HG PRO 27 -17.462 21.595 8.021 198 HD2 PRO 27 1HD PRO 27 -14.962 20.682 7.950 199 HD3 PRO 27 2HD PRO 27 -16.241 19.744 8.779 200 H ARG 28 H ARG 28 -18.257 18.288 3.870 201 HA ARG 28 HA ARG 28 -16.226 18.561 1.880 202 HB2 ARG 28 1HB ARG 28 -18.221 17.096 1.702 203 HB3 ARG 28 2HB ARG 28 -19.263 18.513 1.624 204 HG2 ARG 28 1HG ARG 28 -17.125 18.345 -0.459 205 HG3 ARG 28 2HG ARG 28 -18.426 17.144 -0.552 206 HD2 ARG 28 1HD ARG 28 -20.099 19.035 -0.418 207 HD3 ARG 28 2HD ARG 28 -18.745 20.173 -0.546 208 HE ARG 28 HE ARG 28 -18.648 18.283 -2.698 209 HH11 ARG 28 1HH1 ARG 28 -20.469 21.134 -1.670 210 HH12 ARG 28 2HH1 ARG 28 -20.897 21.561 -3.305 211 HH21 ARG 28 1HH2 ARG 28 -19.259 18.888 -4.757 212 HH22 ARG 28 2HH2 ARG 28 -20.226 20.314 -5.009 213 H GLY 29 H GLY 29 -15.591 20.214 0.614 214 HA2 GLY 29 1HA GLY 29 -15.797 22.228 -0.568 215 HA3 GLY 29 2HA GLY 29 -17.321 22.566 0.270 216 H GLN 30 H GLN 30 -14.962 21.583 2.475 217 HA GLN 30 HA GLN 30 -13.964 24.306 3.022 218 HB2 GLN 30 1HB GLN 30 -16.181 24.035 4.123 219 HB3 GLN 30 2HB GLN 30 -15.636 22.541 4.862 220 HG2 GLN 30 1HG GLN 30 -13.974 24.884 5.471 221 HG3 GLN 30 2HG GLN 30 -15.641 24.989 6.038 222 HE21 GLN 30 1HE2 GLN 30 -14.770 23.222 8.913 223 HE22 GLN 30 2HE2 GLN 30 -15.408 24.681 8.200 224 H GLY 31 H GLY 31 -12.269 24.081 4.825 225 HA2 GLY 31 1HA GLY 31 -11.059 22.560 6.272 226 HA3 GLY 31 2HA GLY 31 -11.216 21.303 5.045 227 H VAL 32 H VAL 32 -10.616 23.535 3.001 228 HA VAL 32 HA VAL 32 -7.808 22.985 2.817 229 HB VAL 32 HB VAL 32 -9.479 25.177 1.470 230 HG11 VAL 32 1HG1 VAL 32 -7.638 25.079 -0.244 231 HG12 VAL 32 2HG1 VAL 32 -6.701 24.097 0.875 232 HG13 VAL 32 3HG1 VAL 32 -7.158 25.766 1.299 233 HG21 VAL 32 1HG2 VAL 32 -9.525 23.646 -0.473 234 HG22 VAL 32 2HG2 VAL 32 -10.330 22.932 0.938 235 HG23 VAL 32 3HG2 VAL 32 -8.690 22.406 0.482 236 HA PRO 33 HA PRO 33 -6.671 26.189 5.691 237 HB2 PRO 33 1HB PRO 33 -3.974 25.943 5.528 238 HB3 PRO 33 2HB PRO 33 -4.995 24.682 6.290 239 HG2 PRO 33 1HG PRO 33 -3.910 24.808 3.524 240 HG3 PRO 33 2HG PRO 33 -3.825 23.472 4.705 241 HD2 PRO 33 1HD PRO 33 -5.655 23.484 2.771 242 HD3 PRO 33 2HD PRO 33 -6.013 22.843 4.405 243 H ILE 34 H ILE 34 -5.445 28.228 5.653 244 HA ILE 34 HA ILE 34 -5.936 29.657 3.195 245 HB ILE 34 HB ILE 34 -4.278 30.470 5.633 246 HG12 ILE 34 1HG1 ILE 34 -7.090 31.274 4.863 247 HG13 ILE 34 2HG1 ILE 34 -6.702 30.006 6.028 248 HG21 ILE 34 1HG2 ILE 34 -4.491 32.804 4.792 249 HG22 ILE 34 2HG2 ILE 34 -5.363 32.217 3.358 250 HG23 ILE 34 3HG2 ILE 34 -3.650 31.806 3.608 251 HD11 ILE 34 1HD1 ILE 34 -7.166 31.988 7.289 252 HD12 ILE 34 2HD1 ILE 34 -6.087 32.964 6.285 253 HD13 ILE 34 3HD1 ILE 34 -5.422 31.721 7.370 254 H ASN 35 H ASN 35 -4.734 29.744 1.445 255 HA ASN 35 HA ASN 35 -1.785 29.387 1.745 256 HB2 ASN 35 1HB ASN 35 -2.977 27.392 0.707 257 HB3 ASN 35 2HB ASN 35 -3.361 28.446 -0.659 258 HD21 ASN 35 1HD2 ASN 35 -0.226 26.651 -1.439 259 HD22 ASN 35 2HD2 ASN 35 -1.900 26.225 -1.127 260 H THR 36 H THR 36 -0.820 31.206 1.321 261 HA THR 36 HA THR 36 -2.202 33.313 -0.198 262 HB THR 36 HB THR 36 -0.317 34.694 0.631 263 HG1 THR 36 HG1 THR 36 1.310 33.734 1.806 264 HG21 THR 36 1HG2 THR 36 -2.300 34.139 2.118 265 HG22 THR 36 2HG2 THR 36 -0.808 34.559 2.986 266 HG23 THR 36 3HG2 THR 36 -1.296 32.857 2.840 267 H ASN 37 H ASN 37 0.153 30.933 -0.792 268 HA ASN 37 HA ASN 37 1.363 32.528 -3.013 269 HB2 ASN 37 1HB ASN 37 3.290 30.993 -2.807 270 HB3 ASN 37 2HB ASN 37 2.977 31.900 -1.330 271 HD21 ASN 37 1HD2 ASN 37 2.384 29.125 0.657 272 HD22 ASN 37 2HD2 ASN 37 2.416 30.867 0.509 273 H SER 38 H SER 38 -1.190 31.015 -3.217 274 HA SER 38 HA SER 38 -0.366 29.343 -5.534 275 HB2 SER 38 1HB SER 38 -1.851 27.547 -4.844 276 HB3 SER 38 2HB SER 38 -0.648 27.840 -3.576 277 HG SER 38 HG SER 38 -3.129 29.176 -3.529 278 H SER 39 H SER 39 -2.248 28.753 -6.899 279 HA SER 39 HA SER 39 -3.810 31.155 -7.414 280 HB2 SER 39 1HB SER 39 -4.084 28.412 -8.668 281 HB3 SER 39 2HB SER 39 -4.446 29.984 -9.409 282 HG SER 39 HG SER 39 -2.053 28.640 -9.078 283 HA PRO 40 HA PRO 40 -7.458 29.879 -5.339 284 HB2 PRO 40 1HB PRO 40 -9.588 30.370 -6.984 285 HB3 PRO 40 2HB PRO 40 -8.642 31.683 -6.208 286 HG2 PRO 40 1HG PRO 40 -8.357 30.548 -8.985 287 HG3 PRO 40 2HG PRO 40 -8.521 32.261 -8.477 288 HD2 PRO 40 1HD PRO 40 -6.106 31.186 -8.993 289 HD3 PRO 40 2HD PRO 40 -6.327 32.338 -7.630 290 H ASP 41 H ASP 41 -6.987 28.512 -8.612 291 HA ASP 41 HA ASP 41 -8.838 26.349 -8.111 292 HB2 ASP 41 1HB ASP 41 -8.205 25.457 -10.155 293 HB3 ASP 41 2HB ASP 41 -8.172 27.206 -10.397 294 H ASP 42 H ASP 42 -5.620 27.049 -7.186 295 HA ASP 42 HA ASP 42 -4.618 24.332 -7.009 296 HB2 ASP 42 1HB ASP 42 -3.626 27.005 -6.040 297 HB3 ASP 42 2HB ASP 42 -2.801 25.508 -5.637 298 H GLN 43 H GLN 43 -6.785 26.019 -5.116 299 HA GLN 43 HA GLN 43 -5.911 25.424 -2.481 300 HB2 GLN 43 1HB GLN 43 -8.705 25.776 -3.629 301 HB3 GLN 43 2HB GLN 43 -8.307 25.835 -1.918 302 HG2 GLN 43 1HG GLN 43 -7.382 27.755 -4.059 303 HG3 GLN 43 2HG GLN 43 -8.506 28.101 -2.749 304 HE21 GLN 43 1HE2 GLN 43 -4.659 28.834 -2.312 305 HE22 GLN 43 2HE2 GLN 43 -5.503 28.645 -3.832 306 H ILE 44 H ILE 44 -7.406 23.336 -4.853 307 HA ILE 44 HA ILE 44 -8.550 21.420 -3.101 308 HB ILE 44 HB ILE 44 -8.988 21.583 -5.536 309 HG12 ILE 44 1HG1 ILE 44 -8.009 18.798 -5.051 310 HG13 ILE 44 2HG1 ILE 44 -9.271 19.479 -4.023 311 HG21 ILE 44 1HG2 ILE 44 -6.770 22.008 -6.420 312 HG22 ILE 44 2HG2 ILE 44 -7.395 20.520 -7.147 313 HG23 ILE 44 3HG2 ILE 44 -6.195 20.420 -5.863 314 HD11 ILE 44 1HD1 ILE 44 -10.197 18.183 -5.940 315 HD12 ILE 44 2HD1 ILE 44 -9.445 19.338 -7.056 316 HD13 ILE 44 3HD1 ILE 44 -10.718 19.881 -5.943 317 H GLY 45 H GLY 45 -7.839 19.635 -2.033 318 HA2 GLY 45 1HA GLY 45 -5.365 18.339 -2.532 319 HA3 GLY 45 2HA GLY 45 -5.106 19.550 -1.265 320 H TYR 46 H TYR 46 -4.587 17.809 0.161 321 HA TYR 46 HA TYR 46 -6.981 16.855 1.556 322 HB2 TYR 46 1HB TYR 46 -6.425 14.514 1.451 323 HB3 TYR 46 2HB TYR 46 -6.531 15.114 -0.196 324 HD1 TYR 46 HD1 TYR 46 -4.470 15.363 -1.574 325 HD2 TYR 46 HD2 TYR 46 -4.382 13.780 2.426 326 HE1 TYR 46 HE1 TYR 46 -2.182 14.461 -1.999 327 HE2 TYR 46 HE2 TYR 46 -2.093 12.847 1.969 328 HH TYR 46 HH TYR 46 -0.361 12.678 0.490 329 H TYR 47 H TYR 47 -6.221 15.659 3.634 330 HA TYR 47 HA TYR 47 -3.535 16.763 4.430 331 HB2 TYR 47 1HB TYR 47 -5.931 16.088 6.127 332 HB3 TYR 47 2HB TYR 47 -4.339 16.370 6.770 333 HD1 TYR 47 HD1 TYR 47 -3.806 18.449 7.599 334 HD2 TYR 47 HD2 TYR 47 -6.855 18.173 4.568 335 HE1 TYR 47 HE1 TYR 47 -4.332 20.856 7.888 336 HE2 TYR 47 HE2 TYR 47 -7.356 20.577 4.874 337 HH TYR 47 HH TYR 47 -6.973 22.456 6.124 338 H ARG 48 H ARG 48 -2.072 15.372 5.273 339 HA ARG 48 HA ARG 48 -2.778 12.465 5.121 340 HB2 ARG 48 1HB ARG 48 -1.027 13.458 3.536 341 HB3 ARG 48 2HB ARG 48 -0.015 13.714 4.957 342 HG2 ARG 48 1HG ARG 48 -0.041 11.328 5.454 343 HG3 ARG 48 2HG ARG 48 -1.141 11.035 4.104 344 HD2 ARG 48 1HD ARG 48 0.593 11.939 2.556 345 HD3 ARG 48 2HD ARG 48 1.707 12.047 3.935 346 HE ARG 48 HE ARG 48 0.900 9.654 2.484 347 HH11 ARG 48 1HH1 ARG 48 2.101 10.746 5.629 348 HH12 ARG 48 2HH1 ARG 48 2.796 9.194 5.997 349 HH21 ARG 48 1HH2 ARG 48 1.814 7.711 3.039 350 HH22 ARG 48 2HH2 ARG 48 2.620 7.509 4.568 351 H ARG 49 H ARG 49 -2.633 11.268 6.887 352 HA ARG 49 HA ARG 49 -1.999 12.461 9.442 353 HB2 ARG 49 1HB ARG 49 -3.655 10.623 8.876 354 HB3 ARG 49 2HB ARG 49 -2.296 9.513 8.763 355 HG2 ARG 49 1HG ARG 49 -1.844 9.699 11.083 356 HG3 ARG 49 2HG ARG 49 -2.921 11.114 11.247 357 HD2 ARG 49 1HD ARG 49 -4.844 9.764 10.602 358 HD3 ARG 49 2HD ARG 49 -3.811 8.369 10.310 359 HE ARG 49 HE ARG 49 -3.809 7.900 12.527 360 HH11 ARG 49 1HH1 ARG 49 -5.038 11.173 12.208 361 HH12 ARG 49 2HH1 ARG 49 -5.576 11.240 13.869 362 HH21 ARG 49 1HH2 ARG 49 -4.530 8.041 14.630 363 HH22 ARG 49 2HH2 ARG 49 -5.288 9.498 15.208 364 H ALA 50 H ALA 50 -0.348 12.137 10.825 365 HA ALA 50 HA ALA 50 1.919 10.364 10.187 366 HB1 ALA 50 1HB ALA 50 3.550 12.259 10.455 367 HB2 ALA 50 2HB ALA 50 2.185 13.406 10.490 368 HB3 ALA 50 3HB ALA 50 2.531 12.479 9.012 369 H THR 51 H THR 51 3.436 10.507 12.235 370 HA THR 51 HA THR 51 2.205 11.726 14.584 371 HB THR 51 HB THR 51 0.968 9.502 14.351 372 HG1 THR 51 HG1 THR 51 1.068 10.343 16.371 373 HG21 THR 51 1HG2 THR 51 2.105 7.439 14.853 374 HG22 THR 51 2HG2 THR 51 3.648 8.277 15.114 375 HG23 THR 51 3HG2 THR 51 2.940 8.190 13.481 376 H ARG 52 H ARG 52 3.628 11.363 16.544 377 HA ARG 52 HA ARG 52 6.387 10.516 15.771 378 HB2 ARG 52 1HB ARG 52 6.194 13.040 15.892 379 HB3 ARG 52 2HB ARG 52 5.744 12.868 17.591 380 HG2 ARG 52 1HG ARG 52 8.058 13.393 17.589 381 HG3 ARG 52 2HG ARG 52 7.977 11.657 17.934 382 HD2 ARG 52 1HD ARG 52 8.463 11.169 15.542 383 HD3 ARG 52 2HD ARG 52 8.522 12.904 15.208 384 HE ARG 52 HE ARG 52 10.569 13.087 16.389 385 HH11 ARG 52 1HH1 ARG 52 9.503 9.709 16.265 386 HH12 ARG 52 2HH1 ARG 52 11.082 9.110 16.677 387 HH21 ARG 52 1HH2 ARG 52 12.545 12.231 16.909 388 HH22 ARG 52 2HH2 ARG 52 12.766 10.507 17.030 389 H ARG 53 H ARG 53 7.140 8.996 17.088 390 HA ARG 53 HA ARG 53 6.272 8.768 19.899 391 HB2 ARG 53 1HB ARG 53 4.534 7.544 18.579 392 HB3 ARG 53 2HB ARG 53 5.797 6.642 17.751 393 HG2 ARG 53 1HG ARG 53 5.928 6.336 20.675 394 HG3 ARG 53 2HG ARG 53 4.384 5.819 19.977 395 HD2 ARG 53 1HD ARG 53 5.720 4.526 18.244 396 HD3 ARG 53 2HD ARG 53 7.162 4.845 19.224 397 HE ARG 53 HE ARG 53 5.292 3.761 20.986 398 HH11 ARG 53 1HH1 ARG 53 6.859 2.632 18.024 399 HH12 ARG 53 2HH1 ARG 53 6.723 0.958 18.485 400 HH21 ARG 53 1HH2 ARG 53 5.165 1.618 21.505 401 HH22 ARG 53 2HH2 ARG 53 5.775 0.394 20.419 402 H ILE 54 H ILE 54 7.746 7.462 21.058 403 HA ILE 54 HA ILE 54 10.181 6.774 19.492 404 HB ILE 54 HB ILE 54 11.598 7.779 20.991 405 HG12 ILE 54 1HG1 ILE 54 10.812 6.790 23.059 406 HG13 ILE 54 2HG1 ILE 54 11.159 8.494 23.266 407 HG21 ILE 54 1HG2 ILE 54 10.377 9.526 19.792 408 HG22 ILE 54 2HG2 ILE 54 10.939 10.091 21.382 409 HG23 ILE 54 3HG2 ILE 54 9.233 9.675 21.149 410 HD11 ILE 54 1HD1 ILE 54 8.735 8.959 23.141 411 HD12 ILE 54 2HD1 ILE 54 9.216 7.909 24.489 412 HD13 ILE 54 3HD1 ILE 54 8.453 7.207 23.052 413 H ARG 55 H ARG 55 11.604 5.325 20.993 414 HA ARG 55 HA ARG 55 9.958 3.530 22.707 415 HB2 ARG 55 1HB ARG 55 9.892 2.530 20.431 416 HB3 ARG 55 2HB ARG 55 11.649 2.642 20.328 417 HG2 ARG 55 1HG ARG 55 11.185 0.378 20.786 418 HG3 ARG 55 2HG ARG 55 11.777 1.051 22.305 419 HD2 ARG 55 1HD ARG 55 9.487 1.200 23.173 420 HD3 ARG 55 2HD ARG 55 8.842 0.638 21.613 421 HE ARG 55 HE ARG 55 10.742 -1.261 22.540 422 HH11 ARG 55 1HH1 ARG 55 7.521 -0.139 23.475 423 HH12 ARG 55 2HH1 ARG 55 7.088 -1.683 24.155 424 HH21 ARG 55 1HH2 ARG 55 10.122 -3.179 23.464 425 HH22 ARG 55 2HH2 ARG 55 8.541 -3.358 24.172 426 H GLY 56 H GLY 56 11.079 3.362 24.579 427 HA2 GLY 56 1HA GLY 56 13.896 4.172 24.647 428 HA3 GLY 56 2HA GLY 56 12.875 3.694 26.024 429 H GLY 57 H GLY 57 15.328 2.631 26.112 430 HA2 GLY 57 1HA GLY 57 15.616 0.220 24.548 431 HA3 GLY 57 2HA GLY 57 16.595 0.684 25.955 432 H ASP 58 H ASP 58 14.544 0.961 27.838 433 HA ASP 58 HA ASP 58 14.079 -1.783 28.644 434 HB2 ASP 58 1HB ASP 58 14.427 0.256 30.125 435 HB3 ASP 58 2HB ASP 58 12.814 0.793 29.642 436 H GLY 59 H GLY 59 12.437 0.619 26.771 437 HA2 GLY 59 1HA GLY 59 10.927 -0.305 25.089 438 HA3 GLY 59 2HA GLY 59 10.172 -1.276 26.364 439 H LYS 60 H LYS 60 10.769 1.363 28.007 440 HA LYS 60 HA LYS 60 8.070 2.210 27.894 441 HB2 LYS 60 1HB LYS 60 8.760 3.973 29.475 442 HB3 LYS 60 2HB LYS 60 9.042 2.298 29.927 443 HG2 LYS 60 1HG LYS 60 11.490 3.008 28.887 444 HG3 LYS 60 2HG LYS 60 10.941 4.481 29.745 445 HD2 LYS 60 1HD LYS 60 10.216 3.003 31.630 446 HD3 LYS 60 2HD LYS 60 10.924 1.636 30.767 447 HE2 LYS 60 1HE LYS 60 13.165 2.743 30.922 448 HE3 LYS 60 2HE LYS 60 12.423 4.054 31.873 449 HZ1 LYS 60 1HZ LYS 60 11.786 2.411 33.535 450 HZ2 LYS 60 2HZ LYS 60 13.411 2.283 33.275 451 HZ3 LYS 60 3HZ LYS 60 12.378 1.166 32.625 452 H MET 61 H MET 61 7.145 3.953 27.162 453 HA MET 61 HA MET 61 8.646 5.665 25.258 454 HB2 MET 61 1HB MET 61 6.862 5.284 23.611 455 HB3 MET 61 2HB MET 61 7.680 3.784 24.053 456 HG2 MET 61 1HG MET 61 5.850 3.059 25.406 457 HG3 MET 61 2HG MET 61 5.039 4.629 25.268 458 HE1 MET 61 1HE MET 61 3.242 4.617 21.968 459 HE2 MET 61 2HE MET 61 4.535 5.650 22.636 460 HE3 MET 61 3HE MET 61 3.213 5.082 23.683 461 H LYS 62 H LYS 62 6.924 7.231 24.262 462 HA LYS 62 HA LYS 62 5.608 8.720 26.466 463 HB2 LYS 62 1HB LYS 62 6.273 9.276 23.528 464 HB3 LYS 62 2HB LYS 62 5.256 10.369 24.476 465 HG2 LYS 62 1HG LYS 62 8.028 9.674 25.406 466 HG3 LYS 62 2HG LYS 62 7.729 10.940 24.206 467 HD2 LYS 62 1HD LYS 62 6.167 12.032 25.825 468 HD3 LYS 62 2HD LYS 62 6.682 10.841 27.046 469 HE2 LYS 62 1HE LYS 62 9.031 11.556 26.743 470 HE3 LYS 62 2HE LYS 62 8.524 12.720 25.504 471 HZ1 LYS 62 1HZ LYS 62 8.798 13.787 27.677 472 HZ2 LYS 62 2HZ LYS 62 7.686 12.782 28.366 473 HZ3 LYS 62 3HZ LYS 62 7.215 13.868 27.218 474 H ASP 63 H ASP 63 3.981 9.473 23.721 475 HA ASP 63 HA ASP 63 2.192 7.130 23.625 476 HB2 ASP 63 1HB ASP 63 1.370 8.885 25.373 477 HB3 ASP 63 2HB ASP 63 1.088 9.936 23.976 478 H LEU 64 H LEU 64 0.532 7.831 21.749 479 HA LEU 64 HA LEU 64 2.226 8.650 19.476 480 HB2 LEU 64 1HB LEU 64 -0.731 7.969 19.724 481 HB3 LEU 64 2HB LEU 64 0.053 8.407 18.223 482 HG LEU 64 HG LEU 64 -0.383 6.067 18.248 483 HD11 LEU 64 1HD1 LEU 64 1.804 5.201 17.700 484 HD12 LEU 64 2HD1 LEU 64 2.589 6.494 18.631 485 HD13 LEU 64 3HD1 LEU 64 1.682 6.886 17.155 486 HD21 LEU 64 1HD2 LEU 64 1.414 5.742 20.674 487 HD22 LEU 64 2HD2 LEU 64 0.531 4.471 19.795 488 HD23 LEU 64 3HD2 LEU 64 -0.361 5.696 20.721 489 H SER 65 H SER 65 2.196 10.648 18.534 490 HA SER 65 HA SER 65 0.192 12.631 19.551 491 HB2 SER 65 1HB SER 65 1.934 14.258 18.549 492 HB3 SER 65 2HB SER 65 2.312 13.493 20.102 493 HG SER 65 HG SER 65 3.656 12.062 19.063 494 HA PRO 66 HA PRO 66 -0.712 11.585 15.212 495 HB2 PRO 66 1HB PRO 66 -3.456 12.572 15.861 496 HB3 PRO 66 2HB PRO 66 -2.962 11.038 15.093 497 HG2 PRO 66 1HG PRO 66 -3.897 11.064 17.588 498 HG3 PRO 66 2HG PRO 66 -2.494 10.031 17.154 499 HD2 PRO 66 1HD PRO 66 -2.497 12.764 18.457 500 HD3 PRO 66 2HD PRO 66 -1.652 11.261 18.963 501 H ARG 67 H ARG 67 -0.299 13.037 13.605 502 HA ARG 67 HA ARG 67 -1.441 15.751 13.848 503 HB2 ARG 67 1HB ARG 67 0.766 16.702 13.201 504 HB3 ARG 67 2HB ARG 67 0.695 16.045 14.822 505 HG2 ARG 67 1HG ARG 67 1.869 14.005 14.059 506 HG3 ARG 67 2HG ARG 67 2.022 14.753 12.446 507 HD2 ARG 67 1HD ARG 67 3.011 16.727 13.551 508 HD3 ARG 67 2HD ARG 67 2.998 15.863 15.088 509 HE ARG 67 HE ARG 67 4.407 14.273 13.233 510 HH11 ARG 67 1HH1 ARG 67 4.796 17.401 14.833 511 HH12 ARG 67 2HH1 ARG 67 6.533 17.350 14.732 512 HH21 ARG 67 1HH2 ARG 67 6.642 14.269 13.146 513 HH22 ARG 67 2HH2 ARG 67 7.555 15.607 13.793 514 H TRP 68 H TRP 68 -1.374 16.929 11.809 515 HA TRP 68 HA TRP 68 -1.293 15.048 9.480 516 HB2 TRP 68 1HB TRP 68 -3.417 17.088 10.195 517 HB3 TRP 68 2HB TRP 68 -3.315 16.248 8.645 518 HD1 TRP 68 HD1 TRP 68 -3.733 15.347 12.394 519 HE1 TRP 68 HE1 TRP 68 -5.200 13.288 12.619 520 HE3 TRP 68 HE3 TRP 68 -4.312 14.345 7.422 521 HZ2 TRP 68 HZ2 TRP 68 -6.428 11.408 10.871 522 HZ3 TRP 68 HZ3 TRP 68 -5.717 12.398 6.743 523 HH2 TRP 68 HH2 TRP 68 -6.767 10.942 8.475 524 H TYR 69 H TYR 69 -0.790 15.913 7.505 525 HA TYR 69 HA TYR 69 0.248 18.739 7.514 526 HB2 TYR 69 1HB TYR 69 1.388 16.206 6.262 527 HB3 TYR 69 2HB TYR 69 1.948 17.835 5.884 528 HD1 TYR 69 HD1 TYR 69 1.560 15.443 8.778 529 HD2 TYR 69 HD2 TYR 69 3.635 18.874 7.191 530 HE1 TYR 69 HE1 TYR 69 3.135 15.396 10.710 531 HE2 TYR 69 HE2 TYR 69 5.236 18.774 9.102 532 HH TYR 69 HH TYR 69 4.913 16.349 11.704 533 H PHE 70 H PHE 70 -0.160 19.840 5.496 534 HA PHE 70 HA PHE 70 -2.448 18.680 4.040 535 HB2 PHE 70 1HB PHE 70 -2.758 20.913 4.993 536 HB3 PHE 70 2HB PHE 70 -1.327 21.501 4.138 537 HD1 PHE 70 HD1 PHE 70 -4.625 19.826 3.439 538 HD2 PHE 70 HD2 PHE 70 -1.606 22.563 2.069 539 HE1 PHE 70 HE1 PHE 70 -6.018 20.367 1.452 540 HE2 PHE 70 HE2 PHE 70 -3.018 23.134 0.099 541 HZ PHE 70 HZ PHE 70 -5.220 22.025 -0.223 542 H TYR 71 H TYR 71 -2.350 18.099 2.001 543 HA TYR 71 HA TYR 71 0.140 18.679 0.460 544 HB2 TYR 71 1HB TYR 71 -1.058 16.163 1.461 545 HB3 TYR 71 2HB TYR 71 -0.406 16.119 -0.210 546 HD1 TYR 71 HD1 TYR 71 2.079 16.826 -0.513 547 HD2 TYR 71 HD2 TYR 71 0.328 15.989 3.334 548 HE1 TYR 71 HE1 TYR 71 4.365 16.573 0.484 549 HE2 TYR 71 HE2 TYR 71 2.608 15.705 4.305 550 HH TYR 71 HH TYR 71 4.842 15.652 3.911 551 H TYR 72 H TYR 72 -0.264 18.265 -1.879 552 HA TYR 72 HA TYR 72 -2.958 19.333 -2.473 553 HB2 TYR 72 1HB TYR 72 -0.403 19.405 -4.103 554 HB3 TYR 72 2HB TYR 72 -1.927 20.221 -4.493 555 HD1 TYR 72 HD1 TYR 72 -2.625 22.246 -3.302 556 HD2 TYR 72 HD2 TYR 72 0.978 20.171 -2.163 557 HE1 TYR 72 HE1 TYR 72 -1.963 24.160 -1.857 558 HE2 TYR 72 HE2 TYR 72 1.608 22.075 -0.698 559 HH TYR 72 HH TYR 72 -0.384 25.001 -0.390 560 H LEU 73 H LEU 73 -4.009 18.744 -4.498 561 HA LEU 73 HA LEU 73 -4.463 15.981 -4.667 562 HB2 LEU 73 1HB LEU 73 -5.585 18.226 -5.729 563 HB3 LEU 73 2HB LEU 73 -4.797 17.582 -7.155 564 HG LEU 73 HG LEU 73 -7.041 16.364 -5.537 565 HD11 LEU 73 1HD1 LEU 73 -8.241 16.531 -7.613 566 HD12 LEU 73 2HD1 LEU 73 -6.764 16.959 -8.499 567 HD13 LEU 73 3HD1 LEU 73 -7.452 18.091 -7.321 568 HD21 LEU 73 1HD2 LEU 73 -6.994 14.459 -7.172 569 HD22 LEU 73 2HD2 LEU 73 -5.661 14.451 -6.014 570 HD23 LEU 73 3HD2 LEU 73 -5.382 14.998 -7.687 571 H GLY 74 H GLY 74 -3.432 14.307 -5.613 572 HA2 GLY 74 1HA GLY 74 -2.081 13.149 -7.057 573 HA3 GLY 74 2HA GLY 74 -2.064 14.570 -8.100 574 H THR 75 H THR 75 -0.779 14.539 -4.742 575 HA THR 75 HA THR 75 1.842 15.285 -5.885 576 HB THR 75 HB THR 75 2.397 15.282 -3.287 577 HG1 THR 75 HG1 THR 75 -0.411 15.757 -3.204 578 HG21 THR 75 1HG2 THR 75 1.411 17.580 -3.080 579 HG22 THR 75 2HG2 THR 75 0.598 17.320 -4.642 580 HG23 THR 75 3HG2 THR 75 2.378 17.325 -4.546 581 H GLY 76 H GLY 76 3.725 14.105 -5.612 582 HA2 GLY 76 1HA GLY 76 4.940 12.279 -4.616 583 HA3 GLY 76 2HA GLY 76 3.435 11.375 -4.403 584 HA PRO 77 HA PRO 77 5.932 10.638 -8.430 585 HB2 PRO 77 1HB PRO 77 6.924 8.112 -7.942 586 HB3 PRO 77 2HB PRO 77 7.764 9.626 -7.498 587 HG2 PRO 77 1HG PRO 77 5.985 7.902 -5.789 588 HG3 PRO 77 2HG PRO 77 7.633 8.511 -5.440 589 HD2 PRO 77 1HD PRO 77 5.499 9.780 -4.475 590 HD3 PRO 77 2HD PRO 77 6.869 10.725 -5.161 591 H GLU 78 H GLU 78 4.288 7.909 -6.772 592 HA GLU 78 HA GLU 78 2.623 7.512 -9.202 593 HB2 GLU 78 1HB GLU 78 4.179 5.319 -7.763 594 HB3 GLU 78 2HB GLU 78 2.923 5.043 -8.985 595 HG2 GLU 78 1HG GLU 78 4.295 6.392 -10.608 596 HG3 GLU 78 2HG GLU 78 5.584 6.448 -9.396 597 H ALA 79 H ALA 79 1.940 8.948 -6.988 598 HA ALA 79 HA ALA 79 0.852 7.472 -4.814 599 HB1 ALA 79 1HB ALA 79 1.202 9.890 -4.706 600 HB2 ALA 79 2HB ALA 79 -0.513 9.526 -4.415 601 HB3 ALA 79 3HB ALA 79 0.008 10.160 -5.995 602 H GLY 80 H GLY 80 -0.543 8.416 -7.942 603 HA2 GLY 80 1HA GLY 80 -2.340 7.592 -9.094 604 HA3 GLY 80 2HA GLY 80 -2.244 6.166 -8.061 605 H LEU 81 H LEU 81 -2.872 9.275 -6.533 606 HA LEU 81 HA LEU 81 -5.542 8.245 -5.874 607 HB2 LEU 81 1HB LEU 81 -3.667 10.252 -4.633 608 HB3 LEU 81 2HB LEU 81 -5.338 10.114 -4.173 609 HG LEU 81 HG LEU 81 -3.319 7.911 -3.895 610 HD11 LEU 81 1HD1 LEU 81 -3.304 8.451 -1.531 611 HD12 LEU 81 2HD1 LEU 81 -4.528 9.711 -1.766 612 HD13 LEU 81 3HD1 LEU 81 -2.898 9.904 -2.452 613 HD21 LEU 81 1HD2 LEU 81 -4.965 6.688 -2.659 614 HD22 LEU 81 2HD2 LEU 81 -5.757 7.191 -4.155 615 HD23 LEU 81 3HD2 LEU 81 -6.082 8.065 -2.638 616 HA PRO 82 HA PRO 82 -7.228 11.764 -8.158 617 HB2 PRO 82 1HB PRO 82 -9.724 10.726 -8.449 618 HB3 PRO 82 2HB PRO 82 -8.363 10.162 -9.474 619 HG2 PRO 82 1HG PRO 82 -9.525 8.916 -6.996 620 HG3 PRO 82 2HG PRO 82 -9.088 8.146 -8.545 621 HD2 PRO 82 1HD PRO 82 -7.502 8.077 -6.374 622 HD3 PRO 82 2HD PRO 82 -6.878 8.040 -8.043 623 H TYR 83 H TYR 83 -9.147 13.177 -7.454 624 HA TYR 83 HA TYR 83 -9.065 13.585 -4.634 625 HB2 TYR 83 1HB TYR 83 -9.601 15.326 -6.325 626 HB3 TYR 83 2HB TYR 83 -11.143 14.519 -6.640 627 HD1 TYR 83 HD1 TYR 83 -9.177 16.466 -4.170 628 HD2 TYR 83 HD2 TYR 83 -12.999 14.700 -5.048 629 HE1 TYR 83 HE1 TYR 83 -10.193 17.719 -2.289 630 HE2 TYR 83 HE2 TYR 83 -14.008 15.955 -3.142 631 HH TYR 83 HH TYR 83 -13.632 17.353 -1.388 632 H GLY 84 H GLY 84 -10.282 12.813 -2.990 633 HA2 GLY 84 1HA GLY 84 -12.206 11.953 -1.974 634 HA3 GLY 84 2HA GLY 84 -12.887 11.574 -3.558 635 H ALA 85 H ALA 85 -9.824 10.321 -3.711 636 HA ALA 85 HA ALA 85 -10.748 7.636 -3.517 637 HB1 ALA 85 1HB ALA 85 -8.325 7.070 -3.625 638 HB2 ALA 85 2HB ALA 85 -7.973 8.817 -3.536 639 HB3 ALA 85 3HB ALA 85 -8.902 8.163 -4.897 640 H ASN 86 H ASN 86 -10.910 6.218 -1.923 641 HA ASN 86 HA ASN 86 -10.503 7.116 0.813 642 HB2 ASN 86 1HB ASN 86 -12.388 5.622 -0.050 643 HB3 ASN 86 2HB ASN 86 -11.197 4.319 -0.173 644 HD21 ASN 86 1HD2 ASN 86 -13.023 4.191 3.100 645 HD22 ASN 86 2HD2 ASN 86 -13.532 4.269 1.431 646 H LYS 87 H LYS 87 -8.691 6.896 1.989 647 HA LYS 87 HA LYS 87 -6.951 4.562 1.664 648 HB2 LYS 87 1HB LYS 87 -6.134 6.097 -0.078 649 HB3 LYS 87 2HB LYS 87 -5.962 7.379 1.108 650 HG2 LYS 87 1HG LYS 87 -4.113 6.314 2.178 651 HG3 LYS 87 2HG LYS 87 -4.476 4.754 1.380 652 HD2 LYS 87 1HD LYS 87 -4.170 6.307 -0.763 653 HD3 LYS 87 2HD LYS 87 -3.104 7.165 0.353 654 HE2 LYS 87 1HE LYS 87 -1.762 5.218 0.676 655 HE3 LYS 87 2HE LYS 87 -2.968 4.177 -0.111 656 HZ1 LYS 87 1HZ LYS 87 -1.398 6.288 -1.495 657 HZ2 LYS 87 2HZ LYS 87 -2.520 5.314 -2.206 658 HZ3 LYS 87 3HZ LYS 87 -1.126 4.665 -1.612 659 H ASP 88 H ASP 88 -5.522 4.372 3.459 660 HA ASP 88 HA ASP 88 -6.679 5.255 5.919 661 HB2 ASP 88 1HB ASP 88 -5.354 3.167 5.673 662 HB3 ASP 88 2HB ASP 88 -3.902 4.138 5.382 663 H GLY 89 H GLY 89 -6.360 6.998 7.137 664 HA2 GLY 89 1HA GLY 89 -5.456 8.951 7.923 665 HA3 GLY 89 2HA GLY 89 -3.896 8.403 7.298 666 H ILE 90 H ILE 90 -6.707 8.890 5.190 667 HA ILE 90 HA ILE 90 -5.452 11.409 4.180 668 HB ILE 90 HB ILE 90 -6.658 9.153 2.499 669 HG12 ILE 90 1HG1 ILE 90 -4.398 8.616 3.333 670 HG13 ILE 90 2HG1 ILE 90 -4.453 8.801 1.591 671 HG21 ILE 90 1HG2 ILE 90 -7.172 11.232 1.405 672 HG22 ILE 90 2HG2 ILE 90 -5.765 10.560 0.554 673 HG23 ILE 90 3HG2 ILE 90 -5.555 11.891 1.721 674 HD11 ILE 90 1HD1 ILE 90 -3.264 10.769 1.603 675 HD12 ILE 90 2HD1 ILE 90 -2.476 9.756 2.830 676 HD13 ILE 90 3HD1 ILE 90 -3.572 11.080 3.330 677 H ILE 91 H ILE 91 -6.795 13.048 4.065 678 HA ILE 91 HA ILE 91 -9.709 12.488 3.702 679 HB ILE 91 HB ILE 91 -10.230 14.385 5.255 680 HG12 ILE 91 1HG1 ILE 91 -7.792 14.205 6.834 681 HG13 ILE 91 2HG1 ILE 91 -7.425 14.759 5.229 682 HG21 ILE 91 1HG2 ILE 91 -10.028 13.087 7.319 683 HG22 ILE 91 2HG2 ILE 91 -8.759 12.068 6.597 684 HG23 ILE 91 3HG2 ILE 91 -10.422 11.998 5.971 685 HD11 ILE 91 1HD1 ILE 91 -7.906 16.631 6.755 686 HD12 ILE 91 2HD1 ILE 91 -9.555 16.011 6.979 687 HD13 ILE 91 3HD1 ILE 91 -9.012 16.572 5.373 688 H TRP 92 H TRP 92 -10.429 13.453 1.929 689 HA TRP 92 HA TRP 92 -8.752 15.468 0.632 690 HB2 TRP 92 1HB TRP 92 -11.318 14.085 -0.192 691 HB3 TRP 92 2HB TRP 92 -10.389 15.190 -1.210 692 HD1 TRP 92 HD1 TRP 92 -10.299 11.661 0.197 693 HE1 TRP 92 HE1 TRP 92 -8.462 10.299 -0.882 694 HE3 TRP 92 HE3 TRP 92 -8.063 15.470 -2.387 695 HZ2 TRP 92 HZ2 TRP 92 -6.239 10.801 -2.587 696 HZ3 TRP 92 HZ3 TRP 92 -6.045 14.949 -3.755 697 HH2 TRP 92 HH2 TRP 92 -5.143 12.624 -3.855 698 H VAL 93 H VAL 93 -9.134 17.565 0.277 699 HA VAL 93 HA VAL 93 -11.767 18.696 1.083 700 HB VAL 93 HB VAL 93 -10.560 20.616 2.192 701 HG11 VAL 93 1HG1 VAL 93 -10.141 19.465 4.307 702 HG12 VAL 93 2HG1 VAL 93 -10.066 17.897 3.473 703 HG13 VAL 93 3HG1 VAL 93 -11.592 18.814 3.521 704 HG21 VAL 93 1HG2 VAL 93 -8.252 20.383 2.904 705 HG22 VAL 93 2HG2 VAL 93 -8.309 20.192 1.143 706 HG23 VAL 93 3HG2 VAL 93 -8.136 18.763 2.185 707 H ALA 94 H ALA 94 -12.285 20.650 0.057 708 HA ALA 94 HA ALA 94 -10.495 21.871 -1.894 709 HB1 ALA 94 1HB ALA 94 -11.333 19.868 -3.179 710 HB2 ALA 94 2HB ALA 94 -11.928 21.400 -3.850 711 HB3 ALA 94 3HB ALA 94 -13.002 20.387 -2.853 712 H THR 95 H THR 95 -11.808 23.724 -2.884 713 HA THR 95 HA THR 95 -14.163 24.447 -1.217 714 HB THR 95 HB THR 95 -12.044 25.630 -0.387 715 HG1 THR 95 HG1 THR 95 -14.021 26.562 0.017 716 HG21 THR 95 1HG2 THR 95 -11.001 25.956 -2.649 717 HG22 THR 95 2HG2 THR 95 -11.141 27.453 -1.706 718 HG23 THR 95 3HG2 THR 95 -12.282 27.133 -3.028 719 H GLU 96 H GLU 96 -15.209 26.473 -2.487 720 HA GLU 96 HA GLU 96 -15.841 25.393 -5.068 721 HB2 GLU 96 1HB GLU 96 -17.321 26.773 -3.520 722 HB3 GLU 96 2HB GLU 96 -16.444 28.200 -4.086 723 HG2 GLU 96 1HG GLU 96 -17.536 28.212 -6.076 724 HG3 GLU 96 2HG GLU 96 -17.435 26.450 -6.243 725 H GLY 97 H GLY 97 -15.089 25.879 -7.051 726 HA2 GLY 97 1HA GLY 97 -14.055 27.240 -8.690 727 HA3 GLY 97 2HA GLY 97 -13.305 28.211 -7.417 728 H ALA 98 H ALA 98 -12.715 25.289 -6.234 729 HA ALA 98 HA ALA 98 -10.015 25.233 -7.258 730 HB1 ALA 98 1HB ALA 98 -9.651 23.493 -5.708 731 HB2 ALA 98 2HB ALA 98 -11.390 23.119 -5.603 732 HB3 ALA 98 3HB ALA 98 -10.752 24.637 -4.921 733 H LEU 99 H LEU 99 -9.141 23.967 -8.881 734 HA LEU 99 HA LEU 99 -11.084 22.470 -10.522 735 HB2 LEU 99 1HB LEU 99 -8.209 23.311 -10.909 736 HB3 LEU 99 2HB LEU 99 -8.969 22.134 -11.966 737 HG LEU 99 HG LEU 99 -9.890 25.004 -11.616 738 HD11 LEU 99 1HD1 LEU 99 -8.427 23.561 -13.865 739 HD12 LEU 99 2HD1 LEU 99 -7.722 24.764 -12.757 740 HD13 LEU 99 3HD1 LEU 99 -8.985 25.252 -13.902 741 HD21 LEU 99 1HD2 LEU 99 -11.289 24.504 -13.633 742 HD22 LEU 99 2HD2 LEU 99 -11.799 23.602 -12.197 743 HD23 LEU 99 3HD2 LEU 99 -10.859 22.785 -13.473 744 H ASN 100 H ASN 100 -11.069 20.361 -10.963 745 HA ASN 100 HA ASN 100 -9.682 18.632 -9.037 746 HB2 ASN 100 1HB ASN 100 -12.093 18.320 -9.633 747 HB3 ASN 100 2HB ASN 100 -11.602 17.921 -11.285 748 HD21 ASN 100 1HD2 ASN 100 -11.559 14.580 -10.347 749 HD22 ASN 100 2HD2 ASN 100 -12.181 15.826 -11.398 750 H THR 101 H THR 101 -7.569 19.408 -10.051 751 HA THR 101 HA THR 101 -6.799 17.384 -12.089 752 HB THR 101 HB THR 101 -7.234 19.844 -13.027 753 HG1 THR 101 HG1 THR 101 -5.579 19.461 -14.539 754 HG21 THR 101 1HG2 THR 101 -5.271 21.260 -13.004 755 HG22 THR 101 2HG2 THR 101 -4.372 20.064 -12.027 756 HG23 THR 101 3HG2 THR 101 -5.775 20.941 -11.331 757 HA PRO 102 HA PRO 102 -3.479 16.897 -9.203 758 HB2 PRO 102 1HB PRO 102 -1.399 16.206 -10.835 759 HB3 PRO 102 2HB PRO 102 -2.723 15.063 -10.418 760 HG2 PRO 102 1HG PRO 102 -2.353 16.789 -12.855 761 HG3 PRO 102 2HG PRO 102 -2.783 15.051 -12.757 762 HD2 PRO 102 1HD PRO 102 -4.651 16.924 -13.134 763 HD3 PRO 102 2HD PRO 102 -4.964 15.519 -12.063 764 H LYS 103 H LYS 103 -1.689 17.957 -8.318 765 HA LYS 103 HA LYS 103 -0.216 19.888 -9.974 766 HB2 LYS 103 1HB LYS 103 -0.667 21.730 -8.256 767 HB3 LYS 103 2HB LYS 103 -1.871 21.372 -9.470 768 HG2 LYS 103 1HG LYS 103 -2.976 19.871 -7.582 769 HG3 LYS 103 2HG LYS 103 -1.970 20.836 -6.507 770 HD2 LYS 103 1HD LYS 103 -4.099 21.918 -6.632 771 HD3 LYS 103 2HD LYS 103 -2.954 22.884 -7.565 772 HE2 LYS 103 1HE LYS 103 -3.843 21.461 -9.620 773 HE3 LYS 103 2HE LYS 103 -5.226 21.148 -8.564 774 HZ1 LYS 103 1HZ LYS 103 -4.243 23.888 -9.144 775 HZ2 LYS 103 2HZ LYS 103 -5.697 23.455 -8.486 776 HZ3 LYS 103 3HZ LYS 103 -5.386 23.152 -10.076 777 H ASP 104 H ASP 104 0.977 17.784 -9.206 778 HA ASP 104 HA ASP 104 2.126 17.610 -6.633 779 HB2 ASP 104 1HB ASP 104 2.361 15.902 -8.425 780 HB3 ASP 104 2HB ASP 104 3.408 17.011 -9.317 781 H HIS 105 H HIS 105 2.782 19.789 -9.282 782 HA HIS 105 HA HIS 105 5.388 20.618 -8.608 783 HB2 HIS 105 1HB HIS 105 5.069 22.414 -10.088 784 HB3 HIS 105 2HB HIS 105 4.045 21.124 -10.725 785 HD1 HIS 105 HD1 HIS 105 3.920 24.538 -9.064 786 HD2 HIS 105 HD2 HIS 105 1.250 21.712 -10.645 787 HE1 HIS 105 HE1 HIS 105 1.645 25.686 -9.265 788 H ILE 106 H ILE 106 2.578 21.142 -6.728 789 HA ILE 106 HA ILE 106 3.716 23.617 -5.548 790 HB ILE 106 HB ILE 106 1.109 22.207 -4.795 791 HG12 ILE 106 1HG1 ILE 106 1.542 24.545 -6.693 792 HG13 ILE 106 2HG1 ILE 106 1.145 22.900 -7.193 793 HG21 ILE 106 1HG2 ILE 106 0.565 24.437 -3.794 794 HG22 ILE 106 2HG2 ILE 106 2.133 25.081 -4.337 795 HG23 ILE 106 3HG2 ILE 106 2.063 23.813 -3.097 796 HD11 ILE 106 1HD1 ILE 106 -0.862 24.078 -7.273 797 HD12 ILE 106 2HD1 ILE 106 -0.594 24.844 -5.697 798 HD13 ILE 106 3HD1 ILE 106 -0.958 23.096 -5.796 799 H GLY 107 H GLY 107 3.111 20.170 -4.820 800 HA2 GLY 107 1HA GLY 107 3.678 20.446 -2.003 801 HA3 GLY 107 2HA GLY 107 3.528 18.944 -2.912 802 H THR 108 H THR 108 5.862 21.135 -4.151 803 HA THR 108 HA THR 108 7.986 19.306 -3.228 804 HB THR 108 HB THR 108 7.685 19.692 -5.668 805 HG1 THR 108 HG1 THR 108 10.086 20.615 -4.457 806 HG21 THR 108 1HG2 THR 108 8.617 22.536 -5.088 807 HG22 THR 108 2HG2 THR 108 6.969 22.080 -5.577 808 HG23 THR 108 3HG2 THR 108 8.327 21.815 -6.685 809 H ARG 109 H ARG 109 6.833 21.588 -1.489 810 HA ARG 109 HA ARG 109 8.907 23.579 -1.311 811 HB2 ARG 109 1HB ARG 109 6.674 23.785 -0.136 812 HB3 ARG 109 2HB ARG 109 7.225 22.533 0.984 813 HG2 ARG 109 1HG ARG 109 9.266 24.078 1.433 814 HG3 ARG 109 2HG ARG 109 8.346 25.341 0.610 815 HD2 ARG 109 1HD ARG 109 8.109 25.498 3.048 816 HD3 ARG 109 2HD ARG 109 6.560 25.121 2.284 817 HE ARG 109 HE ARG 109 6.536 23.035 3.292 818 HH11 ARG 109 1HH1 ARG 109 9.750 24.455 3.875 819 HH12 ARG 109 2HH1 ARG 109 10.139 23.217 5.034 820 HH21 ARG 109 1HH2 ARG 109 7.112 21.578 4.760 821 HH22 ARG 109 2HH2 ARG 109 8.685 21.617 5.532 822 H ASN 110 H ASN 110 10.963 23.377 -0.596 823 HA ASN 110 HA ASN 110 11.617 20.827 0.808 824 HB2 ASN 110 1HB ASN 110 13.034 22.477 -1.247 825 HB3 ASN 110 2HB ASN 110 14.014 21.605 -0.066 826 HD21 ASN 110 1HD2 ASN 110 13.761 19.179 -2.707 827 HD22 ASN 110 2HD2 ASN 110 14.646 20.628 -2.278 828 HA PRO 111 HA PRO 111 12.201 23.477 4.230 829 HB2 PRO 111 1HB PRO 111 13.612 21.874 5.939 830 HB3 PRO 111 2HB PRO 111 11.882 21.600 5.552 831 HG2 PRO 111 1HG PRO 111 14.309 20.318 4.315 832 HG3 PRO 111 2HG PRO 111 12.852 19.537 5.014 833 HD2 PRO 111 1HD PRO 111 13.061 19.932 2.370 834 HD3 PRO 111 2HD PRO 111 11.494 20.197 3.211 835 H ALA 112 H ALA 112 14.984 22.107 2.597 836 HA ALA 112 HA ALA 112 16.963 23.685 3.989 837 HB1 ALA 112 1HB ALA 112 17.524 21.609 2.745 838 HB2 ALA 112 2HB ALA 112 18.430 23.007 2.123 839 HB3 ALA 112 3HB ALA 112 17.025 22.395 1.221 840 H ASN 113 H ASN 113 14.668 24.271 1.438 841 HA ASN 113 HA ASN 113 16.130 26.701 0.555 842 HB2 ASN 113 1HB ASN 113 13.748 25.246 -0.650 843 HB3 ASN 113 2HB ASN 113 14.541 26.669 -1.340 844 HD21 ASN 113 1HD2 ASN 113 15.823 23.305 -2.663 845 HD22 ASN 113 2HD2 ASN 113 14.200 23.778 -2.222 846 H ASN 114 H ASN 114 13.147 25.705 2.201 847 HA ASN 114 HA ASN 114 12.609 28.499 2.892 848 HB2 ASN 114 1HB ASN 114 11.524 28.513 0.758 849 HB3 ASN 114 2HB ASN 114 10.764 26.938 1.068 850 HD21 ASN 114 1HD2 ASN 114 8.034 28.241 2.690 851 HD22 ASN 114 2HD2 ASN 114 8.798 26.960 1.779 852 H ALA 115 H ALA 115 11.156 28.773 4.586 853 HA ALA 115 HA ALA 115 10.763 26.384 6.249 854 HB1 ALA 115 1HB ALA 115 10.102 28.018 7.976 855 HB2 ALA 115 2HB ALA 115 10.148 29.323 6.769 856 HB3 ALA 115 3HB ALA 115 11.648 28.474 7.222 857 H ALA 116 H ALA 116 8.809 25.697 7.114 858 HA ALA 116 HA ALA 116 6.524 25.807 5.380 859 HB1 ALA 116 1HB ALA 116 5.475 24.334 7.020 860 HB2 ALA 116 2HB ALA 116 6.720 24.728 8.227 861 HB3 ALA 116 3HB ALA 116 7.151 23.811 6.764 862 H ILE 117 H ILE 117 4.500 26.647 5.716 863 HA ILE 117 HA ILE 117 4.403 29.172 7.226 864 HB ILE 117 HB ILE 117 2.336 27.775 5.475 865 HG12 ILE 117 1HG1 ILE 117 3.941 30.170 4.609 866 HG13 ILE 117 2HG1 ILE 117 4.642 28.565 4.468 867 HG21 ILE 117 1HG2 ILE 117 1.322 30.060 5.267 868 HG22 ILE 117 2HG2 ILE 117 2.502 30.670 6.448 869 HG23 ILE 117 3HG2 ILE 117 1.282 29.467 6.931 870 HD11 ILE 117 1HD1 ILE 117 3.611 29.166 2.395 871 HD12 ILE 117 2HD1 ILE 117 2.061 29.470 3.209 872 HD13 ILE 117 3HD1 ILE 117 2.721 27.816 3.136 873 H VAL 118 H VAL 118 3.132 29.488 9.120 874 HA VAL 118 HA VAL 118 2.175 27.224 10.628 875 HB VAL 118 HB VAL 118 1.438 30.198 10.790 876 HG11 VAL 118 1HG1 VAL 118 0.668 29.659 13.100 877 HG12 VAL 118 2HG1 VAL 118 0.892 27.930 12.748 878 HG13 VAL 118 3HG1 VAL 118 -0.317 28.876 11.849 879 HG21 VAL 118 1HG2 VAL 118 3.004 30.200 12.737 880 HG22 VAL 118 2HG2 VAL 118 3.823 29.803 11.215 881 HG23 VAL 118 3HG2 VAL 118 3.431 28.512 12.373 882 H LEU 119 H LEU 119 0.423 26.015 10.234 883 HA LEU 119 HA LEU 119 -1.305 26.616 8.025 884 HB2 LEU 119 1HB LEU 119 -0.622 24.352 8.992 885 HB3 LEU 119 2HB LEU 119 -1.841 24.605 10.234 886 HG LEU 119 HG LEU 119 -2.630 24.829 7.330 887 HD11 LEU 119 1HD1 LEU 119 -1.284 22.778 7.460 888 HD12 LEU 119 2HD1 LEU 119 -3.000 22.419 7.206 889 HD13 LEU 119 3HD1 LEU 119 -2.268 22.205 8.814 890 HD21 LEU 119 1HD2 LEU 119 -4.716 23.689 8.290 891 HD22 LEU 119 2HD2 LEU 119 -4.396 25.330 8.871 892 HD23 LEU 119 3HD2 LEU 119 -3.999 23.939 9.892 893 H GLN 120 H GLN 120 -3.166 27.692 7.915 894 HA GLN 120 HA GLN 120 -4.630 28.398 10.424 895 HB2 GLN 120 1HB GLN 120 -3.830 30.223 8.139 896 HB3 GLN 120 2HB GLN 120 -4.990 30.658 9.401 897 HG2 GLN 120 1HG GLN 120 -3.351 30.790 11.046 898 HG3 GLN 120 2HG GLN 120 -2.215 29.805 10.128 899 HE21 GLN 120 1HE2 GLN 120 -0.832 32.455 8.326 900 HE22 GLN 120 2HE2 GLN 120 -0.925 30.719 8.552 901 H LEU 121 H LEU 121 -6.870 28.912 9.997 902 HA LEU 121 HA LEU 121 -7.856 27.833 7.383 903 HB2 LEU 121 1HB LEU 121 -8.926 27.660 10.197 904 HB3 LEU 121 2HB LEU 121 -10.053 27.687 8.849 905 HG LEU 121 HG LEU 121 -7.848 25.631 9.164 906 HD11 LEU 121 1HD1 LEU 121 -9.706 24.125 9.834 907 HD12 LEU 121 2HD1 LEU 121 -10.814 25.509 9.821 908 HD13 LEU 121 3HD1 LEU 121 -9.470 25.467 10.971 909 HD21 LEU 121 1HD2 LEU 121 -9.100 24.349 7.469 910 HD22 LEU 121 2HD2 LEU 121 -8.643 25.928 6.804 911 HD23 LEU 121 3HD2 LEU 121 -10.310 25.643 7.346 912 HA PRO 122 HA PRO 122 -9.185 31.924 6.739 913 HB2 PRO 122 1HB PRO 122 -11.325 31.650 5.082 914 HB3 PRO 122 2HB PRO 122 -9.633 31.249 4.579 915 HG2 PRO 122 1HG PRO 122 -11.798 29.425 5.590 916 HG3 PRO 122 2HG PRO 122 -10.793 29.263 4.120 917 HD2 PRO 122 1HD PRO 122 -10.186 27.966 6.385 918 HD3 PRO 122 2HD PRO 122 -8.904 28.652 5.327 919 H GLN 123 H GLN 123 -11.025 33.485 6.875 920 HA GLN 123 HA GLN 123 -12.170 33.400 9.439 921 HB2 GLN 123 1HB GLN 123 -11.797 35.428 8.005 922 HB3 GLN 123 2HB GLN 123 -13.183 34.943 7.021 923 HG2 GLN 123 1HG GLN 123 -14.675 35.197 8.945 924 HG3 GLN 123 2HG GLN 123 -13.297 35.572 9.992 925 HE21 GLN 123 1HE2 GLN 123 -13.925 38.950 9.428 926 HE22 GLN 123 2HE2 GLN 123 -13.773 37.636 10.569 927 H GLY 124 H GLY 124 -14.002 32.612 10.293 928 HA2 GLY 124 1HA GLY 124 -16.212 31.831 10.318 929 HA3 GLY 124 2HA GLY 124 -16.225 31.793 8.548 930 H THR 125 H THR 125 -13.411 30.317 9.018 931 HA THR 125 HA THR 125 -14.721 27.644 9.244 932 HB THR 125 HB THR 125 -12.027 28.314 8.008 933 HG1 THR 125 HG1 THR 125 -13.812 29.369 6.953 934 HG21 THR 125 1HG2 THR 125 -12.397 26.203 6.847 935 HG22 THR 125 2HG2 THR 125 -13.945 26.017 7.683 936 HG23 THR 125 3HG2 THR 125 -12.434 25.948 8.604 937 H THR 126 H THR 126 -14.269 26.394 10.947 938 HA THR 126 HA THR 126 -11.934 27.122 12.651 939 HB THR 126 HB THR 126 -13.380 26.209 14.547 940 HG1 THR 126 HG1 THR 126 -15.655 26.339 14.062 941 HG21 THR 126 1HG2 THR 126 -14.565 28.306 14.846 942 HG22 THR 126 2HG2 THR 126 -14.424 28.676 13.111 943 HG23 THR 126 3HG2 THR 126 -12.967 28.629 14.136 944 H LEU 127 H LEU 127 -10.828 25.551 13.705 945 HA LEU 127 HA LEU 127 -10.663 22.968 12.410 946 HB2 LEU 127 1HB LEU 127 -9.542 23.993 15.027 947 HB3 LEU 127 2HB LEU 127 -9.132 22.445 14.349 948 HG LEU 127 HG LEU 127 -8.512 25.062 12.964 949 HD11 LEU 127 1HD1 LEU 127 -6.209 24.735 13.753 950 HD12 LEU 127 2HD1 LEU 127 -6.721 23.305 14.682 951 HD13 LEU 127 3HD1 LEU 127 -7.328 24.917 15.122 952 HD21 LEU 127 1HD2 LEU 127 -7.026 23.684 11.608 953 HD22 LEU 127 2HD2 LEU 127 -8.660 23.011 11.536 954 HD23 LEU 127 3HD2 LEU 127 -7.436 22.239 12.563 955 HA PRO 128 HA PRO 128 -13.629 20.945 14.947 956 HB2 PRO 128 1HB PRO 128 -12.789 18.353 14.996 957 HB3 PRO 128 2HB PRO 128 -13.397 19.133 13.503 958 HG2 PRO 128 1HG PRO 128 -10.590 18.663 14.392 959 HG3 PRO 128 2HG PRO 128 -11.332 18.393 12.790 960 HD2 PRO 128 1HD PRO 128 -9.837 20.606 13.448 961 HD3 PRO 128 2HD PRO 128 -11.129 20.646 12.217 962 H LYS 129 H LYS 129 -13.881 19.649 16.995 963 HA LYS 129 HA LYS 129 -12.416 20.898 19.070 964 HB2 LYS 129 1HB LYS 129 -14.704 19.909 19.245 965 HB3 LYS 129 2HB LYS 129 -13.995 18.294 19.179 966 HG2 LYS 129 1HG LYS 129 -12.912 20.097 21.291 967 HG3 LYS 129 2HG LYS 129 -14.607 19.612 21.474 968 HD2 LYS 129 1HD LYS 129 -13.967 17.230 21.315 969 HD3 LYS 129 2HD LYS 129 -12.272 17.691 21.092 970 HE2 LYS 129 1HE LYS 129 -12.585 17.055 23.397 971 HE3 LYS 129 2HE LYS 129 -12.309 18.805 23.326 972 HZ1 LYS 129 1HZ LYS 129 -14.959 17.500 23.596 973 HZ2 LYS 129 2HZ LYS 129 -14.702 19.128 23.536 974 HZ3 LYS 129 3HZ LYS 129 -14.133 18.250 24.811 975 H GLY 130 H GLY 130 -10.520 20.510 20.000 976 HA2 GLY 130 1HA GLY 130 -8.887 19.120 20.981 977 HA3 GLY 130 2HA GLY 130 -9.410 17.772 19.969 978 H PHE 131 H PHE 131 -9.163 20.253 17.796 979 HA PHE 131 HA PHE 131 -6.396 19.463 17.156 980 HB2 PHE 131 1HB PHE 131 -8.837 19.989 15.616 981 HB3 PHE 131 2HB PHE 131 -7.417 20.833 14.996 982 HD1 PHE 131 HD1 PHE 131 -5.404 19.577 14.311 983 HD2 PHE 131 HD2 PHE 131 -9.041 17.588 15.425 984 HE1 PHE 131 HE1 PHE 131 -4.607 17.501 13.186 985 HE2 PHE 131 HE2 PHE 131 -8.263 15.520 14.287 986 HZ PHE 131 HZ PHE 131 -6.049 15.480 13.175 987 H TYR 132 H TYR 132 -4.870 20.850 16.882 988 HA TYR 132 HA TYR 132 -5.415 23.759 16.795 989 HB2 TYR 132 1HB TYR 132 -3.729 24.258 18.472 990 HB3 TYR 132 2HB TYR 132 -5.009 23.271 19.174 991 HD1 TYR 132 HD1 TYR 132 -4.561 20.804 19.667 992 HD2 TYR 132 HD2 TYR 132 -1.434 23.497 18.418 993 HE1 TYR 132 HE1 TYR 132 -2.849 19.238 20.560 994 HE2 TYR 132 HE2 TYR 132 0.272 21.913 19.317 995 HH TYR 132 HH TYR 132 -0.638 18.856 20.926 996 H ALA 133 H ALA 133 -3.320 24.911 16.153 997 HA ALA 133 HA ALA 133 -1.948 23.193 14.141 998 HB1 ALA 133 1HB ALA 133 -3.299 25.060 13.222 999 HB2 ALA 133 2HB ALA 133 -1.567 25.283 12.891 1000 HB3 ALA 133 3HB ALA 133 -2.354 26.211 14.185 1001 H GLU 134 H GLU 134 0.257 23.213 13.888 1002 HA GLU 134 HA GLU 134 1.775 23.896 16.285 1003 HB2 GLU 134 1HB GLU 134 2.433 21.971 14.973 1004 HB3 GLU 134 2HB GLU 134 2.577 22.947 13.520 1005 HG2 GLU 134 1HG GLU 134 4.785 22.464 14.314 1006 HG3 GLU 134 2HG GLU 134 4.478 24.186 14.561 1007 H GLY 135 H GLY 135 3.049 25.643 16.647 1008 HA2 GLY 135 1HA GLY 135 4.138 27.665 16.137 1009 HA3 GLY 135 2HA GLY 135 3.450 27.634 14.508 1010 H SER 136 H SER 136 0.675 27.160 15.562 1011 HA SER 136 HA SER 136 0.088 30.001 16.065 1012 HB2 SER 136 1HB SER 136 -1.241 28.649 14.445 1013 HB3 SER 136 2HB SER 136 -1.812 27.650 15.798 1014 HG SER 136 HG SER 136 -3.234 29.404 15.217 1015 H ARG 137 H ARG 137 0.561 30.555 18.128 1016 HA ARG 137 HA ARG 137 -0.429 28.809 20.336 1017 HB2 ARG 137 1HB ARG 137 1.531 31.120 20.211 1018 HB3 ARG 137 2HB ARG 137 0.797 30.619 21.739 1019 HG2 ARG 137 1HG ARG 137 2.835 29.486 21.716 1020 HG3 ARG 137 2HG ARG 137 1.655 28.258 21.235 1021 HD2 ARG 137 1HD ARG 137 2.269 28.631 18.856 1022 HD3 ARG 137 2HD ARG 137 3.472 29.827 19.357 1023 HE ARG 137 HE ARG 137 3.640 26.905 19.549 1024 HH11 ARG 137 1HH1 ARG 137 5.059 29.946 20.657 1025 HH12 ARG 137 2HH1 ARG 137 6.569 29.188 21.085 1026 HH21 ARG 137 1HH2 ARG 137 5.589 26.019 20.091 1027 HH22 ARG 137 2HH2 ARG 137 6.860 27.001 20.771 1028 H GLY 138 H GLY 138 -2.640 29.380 19.530 1029 HA2 GLY 138 1HA GLY 138 -3.524 32.109 20.195 1030 HA3 GLY 138 2HA GLY 138 -4.530 30.788 19.566 1031 H GLY 139 H GLY 139 -4.571 32.714 22.055 1032 HA2 GLY 139 1HA GLY 139 -6.081 31.148 23.770 1033 HA3 GLY 139 2HA GLY 139 -4.400 30.961 24.336 1034 H SER 140 H SER 140 -5.748 32.157 26.198 1035 HA SER 140 HA SER 140 -4.781 34.918 26.198 1036 HB2 SER 140 1HB SER 140 -7.007 35.811 26.885 1037 HB3 SER 140 2HB SER 140 -7.029 35.233 25.201 1038 HG SER 140 HG SER 140 -7.704 33.494 27.311 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 17.349 -6.691 -5.847 2 H2 GLY 1 2H GLY 1 16.553 -5.861 -4.664 3 H3 GLY 1 3H GLY 1 18.197 -5.959 -4.635 4 HA2 GLY 1 1HA GLY 1 18.375 -4.679 -6.652 5 HA3 GLY 1 2HA GLY 1 16.602 -4.584 -6.692 6 H ALA 2 H ALA 2 17.862 -2.175 -6.733 7 HA ALA 2 HA ALA 2 17.297 -1.165 -3.994 8 HB1 ALA 2 1HB ALA 2 19.755 -1.403 -4.129 9 HB2 ALA 2 2HB ALA 2 19.292 0.314 -4.132 10 HB3 ALA 2 3HB ALA 2 19.773 -0.475 -5.650 11 H MET 3 H MET 3 15.472 -0.078 -4.466 12 HA MET 3 HA MET 3 15.621 2.047 -6.563 13 HB2 MET 3 1HB MET 3 13.320 0.125 -6.020 14 HB3 MET 3 2HB MET 3 13.196 1.577 -7.025 15 HG2 MET 3 1HG MET 3 14.835 0.676 -8.599 16 HG3 MET 3 2HG MET 3 15.086 -0.739 -7.566 17 HE1 MET 3 1HE MET 3 11.287 0.071 -10.132 18 HE2 MET 3 2HE MET 3 12.766 1.059 -10.163 19 HE3 MET 3 3HE MET 3 11.676 1.128 -8.756 20 H GLY 4 H GLY 4 16.302 3.153 -4.499 21 HA2 GLY 4 1HA GLY 4 13.896 3.912 -2.893 22 HA3 GLY 4 2HA GLY 4 15.483 3.637 -2.169 23 H LEU 5 H LEU 5 13.606 5.734 -4.310 24 HA LEU 5 HA LEU 5 15.697 7.772 -4.464 25 HB2 LEU 5 1HB LEU 5 12.714 7.810 -5.088 26 HB3 LEU 5 2HB LEU 5 13.765 9.195 -5.298 27 HG LEU 5 HG LEU 5 13.385 8.312 -7.432 28 HD11 LEU 5 1HD1 LEU 5 15.606 7.799 -8.252 29 HD12 LEU 5 2HD1 LEU 5 16.144 7.305 -6.634 30 HD13 LEU 5 3HD1 LEU 5 15.731 9.007 -6.959 31 HD21 LEU 5 1HD2 LEU 5 13.749 6.049 -8.161 32 HD22 LEU 5 2HD2 LEU 5 12.655 6.018 -6.765 33 HD23 LEU 5 3HD2 LEU 5 14.368 5.570 -6.567 34 HA PRO 6 HA PRO 6 14.858 9.410 -0.521 35 HB2 PRO 6 1HB PRO 6 15.346 12.098 -0.708 36 HB3 PRO 6 2HB PRO 6 16.642 10.862 -0.796 37 HG2 PRO 6 1HG PRO 6 15.200 12.235 -3.059 38 HG3 PRO 6 2HG PRO 6 16.965 12.060 -2.789 39 HD2 PRO 6 1HD PRO 6 15.637 10.382 -4.429 40 HD3 PRO 6 2HD PRO 6 16.939 9.772 -3.348 41 H ASN 7 H ASN 7 13.125 11.018 -3.168 42 HA ASN 7 HA ASN 7 11.047 12.006 -3.273 43 HB2 ASN 7 1HB ASN 7 10.680 9.529 -2.855 44 HB3 ASN 7 2HB ASN 7 10.322 9.947 -1.175 45 HD21 ASN 7 1HD2 ASN 7 6.997 10.233 -2.139 46 HD22 ASN 7 2HD2 ASN 7 8.193 9.420 -1.164 47 H ASN 8 H ASN 8 12.406 13.763 -1.778 48 HA ASN 8 HA ASN 8 11.618 14.062 0.922 49 HB2 ASN 8 1HB ASN 8 12.619 16.118 -1.076 50 HB3 ASN 8 2HB ASN 8 12.415 16.433 0.652 51 HD21 ASN 8 1HD2 ASN 8 15.865 15.056 -0.495 52 HD22 ASN 8 2HD2 ASN 8 14.748 16.041 -1.409 53 H THR 9 H THR 9 10.199 15.599 -1.955 54 HA THR 9 HA THR 9 8.524 17.338 -1.918 55 HB THR 9 HB THR 9 6.378 15.973 -2.110 56 HG1 THR 9 HG1 THR 9 7.354 14.330 -0.594 57 HG21 THR 9 1HG2 THR 9 7.089 14.824 -4.132 58 HG22 THR 9 2HG2 THR 9 8.784 14.869 -3.616 59 HG23 THR 9 3HG2 THR 9 7.935 16.383 -4.031 60 H ALA 10 H ALA 10 8.660 18.615 -0.036 61 HA ALA 10 HA ALA 10 7.328 17.585 2.356 62 HB1 ALA 10 1HB ALA 10 9.631 18.612 2.309 63 HB2 ALA 10 2HB ALA 10 8.499 19.311 3.502 64 HB3 ALA 10 3HB ALA 10 8.843 20.176 1.982 65 H SER 11 H SER 11 5.614 18.428 3.323 66 HA SER 11 HA SER 11 3.603 19.772 1.831 67 HB2 SER 11 1HB SER 11 2.508 20.022 4.074 68 HB3 SER 11 2HB SER 11 3.086 18.372 3.760 69 HG SER 11 HG SER 11 4.142 20.340 5.480 70 H TRP 12 H TRP 12 2.873 21.914 1.846 71 HA TRP 12 HA TRP 12 4.905 23.904 2.179 72 HB2 TRP 12 1HB TRP 12 2.085 23.799 1.262 73 HB3 TRP 12 2HB TRP 12 2.657 25.357 1.879 74 HD1 TRP 12 HD1 TRP 12 2.976 23.091 -1.108 75 HE1 TRP 12 HE1 TRP 12 4.460 24.113 -2.888 76 HE3 TRP 12 HE3 TRP 12 4.792 26.962 1.677 77 HZ2 TRP 12 HZ2 TRP 12 6.276 26.311 -3.069 78 HZ3 TRP 12 HZ3 TRP 12 6.428 28.536 0.620 79 HH2 TRP 12 HH2 TRP 12 7.176 28.184 -1.730 80 H PHE 13 H PHE 13 2.473 22.720 4.355 81 HA PHE 13 HA PHE 13 2.818 25.172 6.016 82 HB2 PHE 13 1HB PHE 13 0.399 23.361 5.905 83 HB3 PHE 13 2HB PHE 13 0.530 24.950 6.672 84 HD1 PHE 13 HD1 PHE 13 1.393 26.837 4.913 85 HD2 PHE 13 HD2 PHE 13 -0.760 23.289 3.899 86 HE1 PHE 13 HE1 PHE 13 0.672 27.901 2.785 87 HE2 PHE 13 HE2 PHE 13 -1.499 24.336 1.772 88 HZ PHE 13 HZ PHE 13 -0.751 26.634 1.195 89 H THR 14 H THR 14 2.439 24.889 8.320 90 HA THR 14 HA THR 14 3.971 22.655 9.341 91 HB THR 14 HB THR 14 3.403 23.540 11.575 92 HG1 THR 14 HG1 THR 14 1.947 25.165 11.831 93 HG21 THR 14 1HG2 THR 14 4.081 25.778 9.632 94 HG22 THR 14 2HG2 THR 14 5.239 24.631 10.341 95 HG23 THR 14 3HG2 THR 14 4.373 25.782 11.382 96 H ALA 15 H ALA 15 3.107 21.201 11.058 97 HA ALA 15 HA ALA 15 0.741 19.929 9.983 98 HB1 ALA 15 1HB ALA 15 2.691 18.658 10.749 99 HB2 ALA 15 2HB ALA 15 1.219 18.202 11.619 100 HB3 ALA 15 3HB ALA 15 2.426 19.246 12.406 101 H LEU 16 H LEU 16 -1.167 19.518 10.934 102 HA LEU 16 HA LEU 16 -1.981 21.154 13.284 103 HB2 LEU 16 1HB LEU 16 -3.405 19.221 11.412 104 HB3 LEU 16 2HB LEU 16 -4.132 19.860 12.867 105 HG LEU 16 HG LEU 16 -3.283 21.525 10.517 106 HD11 LEU 16 1HD1 LEU 16 -5.712 21.729 10.110 107 HD12 LEU 16 2HD1 LEU 16 -6.037 20.636 11.477 108 HD13 LEU 16 3HD1 LEU 16 -5.195 20.032 10.031 109 HD21 LEU 16 1HD2 LEU 16 -4.688 23.266 11.705 110 HD22 LEU 16 2HD2 LEU 16 -3.158 22.859 12.493 111 HD23 LEU 16 3HD2 LEU 16 -4.685 22.197 13.125 112 H THR 17 H THR 17 -2.550 20.029 15.244 113 HA THR 17 HA THR 17 -1.558 17.196 15.334 114 HB THR 17 HB THR 17 -1.298 19.297 17.518 115 HG1 THR 17 HG1 THR 17 0.097 19.762 15.815 116 HG21 THR 17 1HG2 THR 17 -0.248 16.463 17.206 117 HG22 THR 17 2HG2 THR 17 -1.379 17.071 18.445 118 HG23 THR 17 3HG2 THR 17 0.314 17.612 18.442 119 H GLN 18 H GLN 18 -2.834 15.754 16.399 120 HA GLN 18 HA GLN 18 -5.512 16.790 17.255 121 HB2 GLN 18 1HB GLN 18 -5.622 15.342 15.319 122 HB3 GLN 18 2HB GLN 18 -4.565 14.172 16.058 123 HG2 GLN 18 1HG GLN 18 -6.811 13.280 16.040 124 HG3 GLN 18 2HG GLN 18 -6.337 13.578 17.707 125 HE21 GLN 18 1HE2 GLN 18 -9.811 14.937 16.515 126 HE22 GLN 18 2HE2 GLN 18 -8.919 13.559 15.885 127 H HIS 19 H HIS 19 -6.244 16.451 19.208 128 HA HIS 19 HA HIS 19 -5.115 14.186 20.815 129 HB2 HIS 19 1HB HIS 19 -4.232 16.412 21.618 130 HB3 HIS 19 2HB HIS 19 -5.896 16.948 21.859 131 HD1 HIS 19 HD1 HIS 19 -4.117 16.937 24.319 132 HD2 HIS 19 HD2 HIS 19 -6.334 13.618 23.125 133 HE1 HIS 19 HE1 HIS 19 -4.409 15.472 26.360 134 H GLY 20 H GLY 20 -6.869 12.880 20.229 135 HA2 GLY 20 1HA GLY 20 -9.373 13.303 21.514 136 HA3 GLY 20 2HA GLY 20 -9.500 13.798 19.812 137 H LYS 21 H LYS 21 -11.101 11.896 19.962 138 HA LYS 21 HA LYS 21 -9.733 9.259 19.859 139 HB2 LYS 21 1HB LYS 21 -12.662 10.047 19.992 140 HB3 LYS 21 2HB LYS 21 -12.082 8.383 19.835 141 HG2 LYS 21 1HG LYS 21 -10.797 8.684 21.968 142 HG3 LYS 21 2HG LYS 21 -11.576 10.269 22.157 143 HD2 LYS 21 1HD LYS 21 -13.796 9.173 22.119 144 HD3 LYS 21 2HD LYS 21 -13.002 7.591 21.957 145 HE2 LYS 21 1HE LYS 21 -11.831 7.974 24.116 146 HE3 LYS 21 2HE LYS 21 -12.680 9.525 24.291 147 HZ1 LYS 21 1HZ LYS 21 -13.787 7.757 25.515 148 HZ2 LYS 21 2HZ LYS 21 -13.979 6.860 24.145 149 HZ3 LYS 21 3HZ LYS 21 -14.774 8.296 24.308 150 H GLU 22 H GLU 22 -11.365 11.527 17.723 151 HA GLU 22 HA GLU 22 -11.519 9.493 15.592 152 HB2 GLU 22 1HB GLU 22 -12.612 11.238 14.307 153 HB3 GLU 22 2HB GLU 22 -13.406 11.024 15.859 154 HG2 GLU 22 1HG GLU 22 -12.272 13.040 16.727 155 HG3 GLU 22 2HG GLU 22 -11.456 13.246 15.165 156 H ASP 23 H ASP 23 -10.651 10.219 13.421 157 HA ASP 23 HA ASP 23 -7.839 10.829 13.858 158 HB2 ASP 23 1HB ASP 23 -9.435 9.458 11.928 159 HB3 ASP 23 2HB ASP 23 -8.600 10.746 11.055 160 H LEU 24 H LEU 24 -10.239 12.223 11.601 161 HA LEU 24 HA LEU 24 -10.115 14.937 12.274 162 HB2 LEU 24 1HB LEU 24 -7.741 14.963 11.582 163 HB3 LEU 24 2HB LEU 24 -8.136 14.146 10.091 164 HG LEU 24 HG LEU 24 -9.266 16.126 9.245 165 HD11 LEU 24 1HD1 LEU 24 -9.315 18.260 10.343 166 HD12 LEU 24 2HD1 LEU 24 -8.393 17.647 11.726 167 HD13 LEU 24 3HD1 LEU 24 -10.052 17.094 11.452 168 HD21 LEU 24 1HD2 LEU 24 -7.290 17.573 9.014 169 HD22 LEU 24 2HD2 LEU 24 -6.861 15.855 8.879 170 HD23 LEU 24 3HD2 LEU 24 -6.517 16.738 10.383 171 H LYS 25 H LYS 25 -11.695 15.960 10.955 172 HA LYS 25 HA LYS 25 -12.116 14.962 8.245 173 HB2 LYS 25 1HB LYS 25 -13.579 13.468 9.713 174 HB3 LYS 25 2HB LYS 25 -14.471 14.930 10.170 175 HG2 LYS 25 1HG LYS 25 -14.915 15.329 7.738 176 HG3 LYS 25 2HG LYS 25 -14.156 13.774 7.376 177 HD2 LYS 25 1HD LYS 25 -15.855 12.644 8.755 178 HD3 LYS 25 2HD LYS 25 -16.603 14.217 9.114 179 HE2 LYS 25 1HE LYS 25 -16.264 12.997 6.341 180 HE3 LYS 25 2HE LYS 25 -17.777 13.045 7.270 181 HZ1 LYS 25 1HZ LYS 25 -16.273 15.442 6.338 182 HZ2 LYS 25 2HZ LYS 25 -17.687 15.468 7.184 183 HZ3 LYS 25 3HZ LYS 25 -17.657 14.857 5.653 184 H PHE 26 H PHE 26 -12.970 16.582 6.966 185 HA PHE 26 HA PHE 26 -13.796 19.086 8.375 186 HB2 PHE 26 1HB PHE 26 -12.098 18.652 5.906 187 HB3 PHE 26 2HB PHE 26 -12.988 20.156 6.143 188 HD1 PHE 26 HD1 PHE 26 -9.798 18.999 6.360 189 HD2 PHE 26 HD2 PHE 26 -12.736 20.894 8.891 190 HE1 PHE 26 HE1 PHE 26 -7.995 19.853 7.843 191 HE2 PHE 26 HE2 PHE 26 -10.924 21.784 10.335 192 HZ PHE 26 HZ PHE 26 -8.540 21.257 9.816 193 HA PRO 27 HA PRO 27 -17.607 18.812 6.099 194 HB2 PRO 27 1HB PRO 27 -18.080 21.461 5.458 195 HB3 PRO 27 2HB PRO 27 -18.284 20.788 7.107 196 HG2 PRO 27 1HG PRO 27 -15.944 22.236 5.951 197 HG3 PRO 27 2HG PRO 27 -16.800 22.528 7.486 198 HD2 PRO 27 1HD PRO 27 -14.514 21.186 7.376 199 HD3 PRO 27 2HD PRO 27 -15.834 20.667 8.479 200 H ARG 28 H ARG 28 -18.598 19.200 3.922 201 HA ARG 28 HA ARG 28 -16.583 18.720 1.865 202 HB2 ARG 28 1HB ARG 28 -18.780 17.520 1.992 203 HB3 ARG 28 2HB ARG 28 -19.603 19.046 1.673 204 HG2 ARG 28 1HG ARG 28 -19.597 17.881 -0.382 205 HG3 ARG 28 2HG ARG 28 -18.358 19.133 -0.554 206 HD2 ARG 28 1HD ARG 28 -16.597 17.476 -0.089 207 HD3 ARG 28 2HD ARG 28 -17.831 16.223 0.170 208 HE ARG 28 HE ARG 28 -18.224 17.385 -2.398 209 HH11 ARG 28 1HH1 ARG 28 -15.905 15.267 -0.774 210 HH12 ARG 28 2HH1 ARG 28 -15.477 14.451 -2.255 211 HH21 ARG 28 1HH2 ARG 28 -17.606 16.315 -4.245 212 HH22 ARG 28 2HH2 ARG 28 -16.424 15.037 -4.183 213 H GLY 29 H GLY 29 -15.794 20.122 0.393 214 HA2 GLY 29 1HA GLY 29 -15.700 21.972 -1.010 215 HA3 GLY 29 2HA GLY 29 -17.318 22.445 -0.460 216 H GLN 30 H GLN 30 -14.979 21.789 1.985 217 HA GLN 30 HA GLN 30 -14.098 24.561 2.320 218 HB2 GLN 30 1HB GLN 30 -16.496 24.450 3.136 219 HB3 GLN 30 2HB GLN 30 -16.015 23.183 4.238 220 HG2 GLN 30 1HG GLN 30 -14.455 24.850 5.321 221 HG3 GLN 30 2HG GLN 30 -15.188 26.089 4.300 222 HE21 GLN 30 1HE2 GLN 30 -16.854 26.005 7.632 223 HE22 GLN 30 2HE2 GLN 30 -15.192 26.170 7.081 224 H GLY 31 H GLY 31 -12.688 24.469 4.481 225 HA2 GLY 31 1HA GLY 31 -11.607 23.064 6.115 226 HA3 GLY 31 2HA GLY 31 -11.810 21.676 5.049 227 H VAL 32 H VAL 32 -10.907 23.901 2.923 228 HA VAL 32 HA VAL 32 -8.151 23.032 2.823 229 HB VAL 32 HB VAL 32 -9.561 25.352 1.390 230 HG11 VAL 32 1HG1 VAL 32 -7.709 25.113 -0.255 231 HG12 VAL 32 2HG1 VAL 32 -6.927 23.939 0.796 232 HG13 VAL 32 3HG1 VAL 32 -7.133 25.629 1.322 233 HG21 VAL 32 1HG2 VAL 32 -9.695 23.791 -0.534 234 HG22 VAL 32 2HG2 VAL 32 -10.630 23.207 0.859 235 HG23 VAL 32 3HG2 VAL 32 -9.042 22.491 0.482 236 HA PRO 33 HA PRO 33 -6.786 26.102 5.757 237 HB2 PRO 33 1HB PRO 33 -4.081 25.908 5.320 238 HB3 PRO 33 2HB PRO 33 -5.034 24.659 6.181 239 HG2 PRO 33 1HG PRO 33 -4.142 24.735 3.366 240 HG3 PRO 33 2HG PRO 33 -4.061 23.403 4.540 241 HD2 PRO 33 1HD PRO 33 -5.959 23.516 2.677 242 HD3 PRO 33 2HD PRO 33 -6.256 22.852 4.303 243 H ILE 34 H ILE 34 -5.355 28.086 5.796 244 HA ILE 34 HA ILE 34 -6.020 29.720 3.473 245 HB ILE 34 HB ILE 34 -4.319 30.389 5.919 246 HG12 ILE 34 1HG1 ILE 34 -7.186 31.098 5.212 247 HG13 ILE 34 2HG1 ILE 34 -6.706 29.863 6.376 248 HG21 ILE 34 1HG2 ILE 34 -4.489 32.727 5.220 249 HG22 ILE 34 2HG2 ILE 34 -5.550 32.295 3.855 250 HG23 ILE 34 3HG2 ILE 34 -3.843 31.809 3.860 251 HD11 ILE 34 1HD1 ILE 34 -7.316 31.837 7.582 252 HD12 ILE 34 2HD1 ILE 34 -6.239 32.842 6.602 253 HD13 ILE 34 3HD1 ILE 34 -5.563 31.629 7.716 254 H ASN 35 H ASN 35 -4.958 29.579 1.699 255 HA ASN 35 HA ASN 35 -2.069 28.829 1.782 256 HB2 ASN 35 1HB ASN 35 -4.112 28.534 -0.447 257 HB3 ASN 35 2HB ASN 35 -2.427 28.015 -0.511 258 HD21 ASN 35 1HD2 ASN 35 -4.585 25.102 0.268 259 HD22 ASN 35 2HD2 ASN 35 -4.529 26.289 -1.010 260 H THR 36 H THR 36 -1.471 31.030 2.194 261 HA THR 36 HA THR 36 -2.277 33.201 0.495 262 HB THR 36 HB THR 36 -0.467 34.441 1.631 263 HG1 THR 36 HG1 THR 36 1.211 33.146 1.924 264 HG21 THR 36 1HG2 THR 36 -1.211 34.193 3.897 265 HG22 THR 36 2HG2 THR 36 -1.744 32.523 3.600 266 HG23 THR 36 3HG2 THR 36 -2.616 33.888 2.850 267 H ASN 37 H ASN 37 0.063 30.744 0.072 268 HA ASN 37 HA ASN 37 1.492 32.344 -2.021 269 HB2 ASN 37 1HB ASN 37 2.393 29.944 -0.374 270 HB3 ASN 37 2HB ASN 37 3.303 30.618 -1.733 271 HD21 ASN 37 1HD2 ASN 37 3.622 32.268 1.893 272 HD22 ASN 37 2HD2 ASN 37 2.705 30.811 1.595 273 H SER 38 H SER 38 -1.106 31.101 -2.455 274 HA SER 38 HA SER 38 -0.315 29.227 -4.605 275 HB2 SER 38 1HB SER 38 -2.529 28.471 -2.707 276 HB3 SER 38 2HB SER 38 -1.639 27.462 -3.866 277 HG SER 38 HG SER 38 0.245 28.180 -2.464 278 H SER 39 H SER 39 -2.233 28.646 -6.010 279 HA SER 39 HA SER 39 -3.679 31.176 -6.577 280 HB2 SER 39 1HB SER 39 -3.351 28.584 -8.137 281 HB3 SER 39 2HB SER 39 -4.071 30.080 -8.749 282 HG SER 39 HG SER 39 -1.398 29.514 -8.097 283 HA PRO 40 HA PRO 40 -7.485 29.655 -5.157 284 HB2 PRO 40 1HB PRO 40 -9.401 30.375 -6.983 285 HB3 PRO 40 2HB PRO 40 -8.576 31.551 -5.910 286 HG2 PRO 40 1HG PRO 40 -7.904 30.817 -8.756 287 HG3 PRO 40 2HG PRO 40 -8.165 32.443 -8.044 288 HD2 PRO 40 1HD PRO 40 -5.682 31.480 -8.354 289 HD3 PRO 40 2HD PRO 40 -6.124 32.373 -6.855 290 H ASP 41 H ASP 41 -6.627 28.631 -8.447 291 HA ASP 41 HA ASP 41 -8.632 26.537 -8.535 292 HB2 ASP 41 1HB ASP 41 -7.609 25.876 -10.548 293 HB3 ASP 41 2HB ASP 41 -7.530 27.643 -10.534 294 H ASP 42 H ASP 42 -5.491 26.833 -7.041 295 HA ASP 42 HA ASP 42 -5.112 23.915 -7.146 296 HB2 ASP 42 1HB ASP 42 -2.860 24.264 -6.544 297 HB3 ASP 42 2HB ASP 42 -3.259 25.421 -7.812 298 H GLN 43 H GLN 43 -6.728 25.864 -5.179 299 HA GLN 43 HA GLN 43 -5.881 25.261 -2.565 300 HB2 GLN 43 1HB GLN 43 -8.663 25.687 -3.710 301 HB3 GLN 43 2HB GLN 43 -8.264 25.786 -2.003 302 HG2 GLN 43 1HG GLN 43 -7.188 27.571 -4.189 303 HG3 GLN 43 2HG GLN 43 -8.401 28.017 -2.991 304 HE21 GLN 43 1HE2 GLN 43 -4.503 28.454 -2.227 305 HE22 GLN 43 2HE2 GLN 43 -5.145 28.051 -3.801 306 H ILE 44 H ILE 44 -7.424 23.214 -4.881 307 HA ILE 44 HA ILE 44 -8.607 21.318 -3.131 308 HB ILE 44 HB ILE 44 -9.098 21.509 -5.537 309 HG12 ILE 44 1HG1 ILE 44 -8.100 18.716 -5.093 310 HG13 ILE 44 2HG1 ILE 44 -9.346 19.399 -4.047 311 HG21 ILE 44 1HG2 ILE 44 -6.950 21.975 -6.535 312 HG22 ILE 44 2HG2 ILE 44 -7.504 20.439 -7.212 313 HG23 ILE 44 3HG2 ILE 44 -6.265 20.442 -5.958 314 HD11 ILE 44 1HD1 ILE 44 -9.518 19.060 -7.052 315 HD12 ILE 44 2HD1 ILE 44 -10.727 19.918 -6.072 316 HD13 ILE 44 3HD1 ILE 44 -10.437 18.182 -5.821 317 H GLY 45 H GLY 45 -7.871 19.556 -2.047 318 HA2 GLY 45 1HA GLY 45 -5.388 18.267 -2.550 319 HA3 GLY 45 2HA GLY 45 -5.123 19.518 -1.327 320 H TYR 46 H TYR 46 -4.563 17.834 0.150 321 HA TYR 46 HA TYR 46 -6.938 16.870 1.572 322 HB2 TYR 46 1HB TYR 46 -6.376 14.539 1.479 323 HB3 TYR 46 2HB TYR 46 -6.448 15.124 -0.174 324 HD1 TYR 46 HD1 TYR 46 -4.345 13.855 2.520 325 HD2 TYR 46 HD2 TYR 46 -4.358 15.331 -1.518 326 HE1 TYR 46 HE1 TYR 46 -2.052 12.916 2.140 327 HE2 TYR 46 HE2 TYR 46 -2.064 14.404 -1.878 328 HH TYR 46 HH TYR 46 -0.350 12.590 0.675 329 H TYR 47 H TYR 47 -6.267 15.768 3.654 330 HA TYR 47 HA TYR 47 -3.646 16.906 4.570 331 HB2 TYR 47 1HB TYR 47 -6.106 16.162 6.137 332 HB3 TYR 47 2HB TYR 47 -4.560 16.500 6.870 333 HD1 TYR 47 HD1 TYR 47 -7.084 18.184 4.577 334 HD2 TYR 47 HD2 TYR 47 -4.058 18.639 7.613 335 HE1 TYR 47 HE1 TYR 47 -7.674 20.587 4.828 336 HE2 TYR 47 HE2 TYR 47 -4.668 21.041 7.836 337 HH TYR 47 HH TYR 47 -7.363 22.504 6.031 338 H ARG 48 H ARG 48 -2.192 15.576 5.510 339 HA ARG 48 HA ARG 48 -2.668 12.647 5.164 340 HB2 ARG 48 1HB ARG 48 -1.065 13.992 3.664 341 HB3 ARG 48 2HB ARG 48 -0.012 14.121 5.065 342 HG2 ARG 48 1HG ARG 48 0.307 11.728 5.126 343 HG3 ARG 48 2HG ARG 48 -0.969 11.492 3.910 344 HD2 ARG 48 1HD ARG 48 0.380 12.981 2.367 345 HD3 ARG 48 2HD ARG 48 1.712 12.844 3.528 346 HE ARG 48 HE ARG 48 0.788 10.234 2.834 347 HH11 ARG 48 1HH1 ARG 48 2.523 12.937 1.349 348 HH12 ARG 48 2HH1 ARG 48 3.379 11.901 0.241 349 HH21 ARG 48 1HH2 ARG 48 1.946 8.974 1.395 350 HH22 ARG 48 2HH2 ARG 48 3.053 9.704 0.267 351 H ARG 49 H ARG 49 -2.711 11.526 6.955 352 HA ARG 49 HA ARG 49 -1.974 12.473 9.562 353 HB2 ARG 49 1HB ARG 49 -3.622 10.683 8.812 354 HB3 ARG 49 2HB ARG 49 -2.243 9.625 8.549 355 HG2 ARG 49 1HG ARG 49 -1.732 9.905 11.040 356 HG3 ARG 49 2HG ARG 49 -3.343 10.668 11.157 357 HD2 ARG 49 1HD ARG 49 -4.156 8.601 9.792 358 HD3 ARG 49 2HD ARG 49 -2.628 7.850 10.265 359 HE ARG 49 HE ARG 49 -3.989 8.862 12.569 360 HH11 ARG 49 1HH1 ARG 49 -4.277 6.224 10.204 361 HH12 ARG 49 2HH1 ARG 49 -5.160 5.226 11.316 362 HH21 ARG 49 1HH2 ARG 49 -5.104 7.515 13.910 363 HH22 ARG 49 2HH2 ARG 49 -5.579 5.921 13.388 364 H ALA 50 H ALA 50 -0.146 12.164 10.811 365 HA ALA 50 HA ALA 50 1.956 10.298 9.893 366 HB1 ALA 50 1HB ALA 50 2.605 12.365 8.760 367 HB2 ALA 50 2HB ALA 50 3.711 12.069 10.129 368 HB3 ALA 50 3HB ALA 50 2.418 13.284 10.275 369 H THR 51 H THR 51 3.184 9.487 11.562 370 HA THR 51 HA THR 51 3.434 10.871 14.100 371 HB THR 51 HB THR 51 1.162 9.775 14.396 372 HG1 THR 51 HG1 THR 51 1.686 9.192 16.414 373 HG21 THR 51 1HG2 THR 51 1.576 7.759 12.977 374 HG22 THR 51 2HG2 THR 51 1.003 7.356 14.609 375 HG23 THR 51 3HG2 THR 51 2.721 7.164 14.206 376 H ARG 52 H ARG 52 4.892 9.485 15.527 377 HA ARG 52 HA ARG 52 6.330 7.355 14.043 378 HB2 ARG 52 1HB ARG 52 7.307 9.890 13.909 379 HB3 ARG 52 2HB ARG 52 8.038 9.376 15.425 380 HG2 ARG 52 1HG ARG 52 9.670 8.844 13.875 381 HG3 ARG 52 2HG ARG 52 8.828 7.290 14.056 382 HD2 ARG 52 1HD ARG 52 7.532 7.721 12.023 383 HD3 ARG 52 2HD ARG 52 8.219 9.352 11.902 384 HE ARG 52 HE ARG 52 10.332 7.434 11.920 385 HH11 ARG 52 1HH1 ARG 52 7.792 8.615 9.774 386 HH12 ARG 52 2HH1 ARG 52 8.699 8.227 8.335 387 HH21 ARG 52 1HH2 ARG 52 11.423 6.946 10.037 388 HH22 ARG 52 2HH2 ARG 52 10.711 7.295 8.487 389 H ARG 53 H ARG 53 6.746 5.674 15.383 390 HA ARG 53 HA ARG 53 7.240 6.255 18.251 391 HB2 ARG 53 1HB ARG 53 4.817 5.701 17.969 392 HB3 ARG 53 2HB ARG 53 5.270 4.139 17.282 393 HG2 ARG 53 1HG ARG 53 6.431 4.803 19.949 394 HG3 ARG 53 2HG ARG 53 4.679 4.560 19.910 395 HD2 ARG 53 1HD ARG 53 6.651 2.557 18.749 396 HD3 ARG 53 2HD ARG 53 6.079 2.501 20.428 397 HE ARG 53 HE ARG 53 3.797 2.640 18.781 398 HH11 ARG 53 1HH1 ARG 53 6.409 0.342 19.377 399 HH12 ARG 53 2HH1 ARG 53 5.412 -1.034 18.988 400 HH21 ARG 53 1HH2 ARG 53 2.585 0.834 18.307 401 HH22 ARG 53 2HH2 ARG 53 3.292 -0.756 18.380 402 H ILE 54 H ILE 54 8.768 5.197 19.082 403 HA ILE 54 HA ILE 54 9.791 2.732 17.819 404 HB ILE 54 HB ILE 54 12.016 3.522 17.639 405 HG12 ILE 54 1HG1 ILE 54 12.351 4.651 19.739 406 HG13 ILE 54 2HG1 ILE 54 12.894 5.665 18.425 407 HG21 ILE 54 1HG2 ILE 54 12.007 5.446 16.129 408 HG22 ILE 54 2HG2 ILE 54 10.401 5.935 16.708 409 HG23 ILE 54 3HG2 ILE 54 10.598 4.411 15.809 410 HD11 ILE 54 1HD1 ILE 54 11.812 6.999 20.110 411 HD12 ILE 54 2HD1 ILE 54 10.333 6.024 19.994 412 HD13 ILE 54 3HD1 ILE 54 10.855 7.030 18.621 413 H ARG 55 H ARG 55 11.694 2.023 19.455 414 HA ARG 55 HA ARG 55 10.878 2.699 22.260 415 HB2 ARG 55 1HB ARG 55 10.128 0.390 21.730 416 HB3 ARG 55 2HB ARG 55 11.745 -0.006 21.140 417 HG2 ARG 55 1HG ARG 55 11.699 -0.954 23.294 418 HG3 ARG 55 2HG ARG 55 12.587 0.554 23.516 419 HD2 ARG 55 1HD ARG 55 11.141 0.555 25.331 420 HD3 ARG 55 2HD ARG 55 10.264 1.564 24.165 421 HE ARG 55 HE ARG 55 9.470 -1.142 23.808 422 HH11 ARG 55 1HH1 ARG 55 9.114 1.400 26.233 423 HH12 ARG 55 2HH1 ARG 55 7.624 0.737 26.844 424 HH21 ARG 55 1HH2 ARG 55 7.564 -1.935 24.649 425 HH22 ARG 55 2HH2 ARG 55 6.764 -1.113 25.960 426 H GLY 56 H GLY 56 12.520 4.134 22.733 427 HA2 GLY 56 1HA GLY 56 15.245 3.649 21.794 428 HA3 GLY 56 2HA GLY 56 14.718 4.878 22.978 429 H GLY 57 H GLY 57 17.054 3.174 23.368 430 HA2 GLY 57 1HA GLY 57 16.457 0.844 24.849 431 HA3 GLY 57 2HA GLY 57 17.954 1.778 24.964 432 H ASP 58 H ASP 58 16.783 4.218 25.951 433 HA ASP 58 HA ASP 58 16.465 3.423 28.762 434 HB2 ASP 58 1HB ASP 58 16.210 6.208 27.702 435 HB3 ASP 58 2HB ASP 58 16.833 5.679 29.262 436 H GLY 59 H GLY 59 14.382 3.436 26.334 437 HA2 GLY 59 1HA GLY 59 12.063 3.036 26.626 438 HA3 GLY 59 2HA GLY 59 12.081 3.994 28.111 439 H LYS 60 H LYS 60 13.779 5.777 25.941 440 HA LYS 60 HA LYS 60 11.855 7.788 25.745 441 HB2 LYS 60 1HB LYS 60 14.406 7.297 24.264 442 HB3 LYS 60 2HB LYS 60 13.392 8.720 23.960 443 HG2 LYS 60 1HG LYS 60 13.993 9.725 25.885 444 HG3 LYS 60 2HG LYS 60 13.834 8.222 26.815 445 HD2 LYS 60 1HD LYS 60 15.959 7.465 25.764 446 HD3 LYS 60 2HD LYS 60 16.163 9.126 25.160 447 HE2 LYS 60 1HE LYS 60 15.886 9.912 27.556 448 HE3 LYS 60 2HE LYS 60 15.897 8.199 28.042 449 HZ1 LYS 60 1HZ LYS 60 18.129 9.639 26.704 450 HZ2 LYS 60 2HZ LYS 60 18.136 8.028 27.072 451 HZ3 LYS 60 3HZ LYS 60 18.092 9.155 28.280 452 H MET 61 H MET 61 10.511 8.481 24.293 453 HA MET 61 HA MET 61 9.858 6.691 21.995 454 HB2 MET 61 1HB MET 61 8.076 8.533 23.624 455 HB3 MET 61 2HB MET 61 7.572 7.624 22.194 456 HG2 MET 61 1HG MET 61 8.239 5.512 23.377 457 HG3 MET 61 2HG MET 61 8.512 6.479 24.838 458 HE1 MET 61 1HE MET 61 4.476 5.553 22.820 459 HE2 MET 61 2HE MET 61 6.096 5.034 22.282 460 HE3 MET 61 3HE MET 61 5.569 6.716 22.032 461 H LYS 62 H LYS 62 8.220 8.374 20.531 462 HA LYS 62 HA LYS 62 10.048 10.640 19.856 463 HB2 LYS 62 1HB LYS 62 9.188 8.396 18.236 464 HB3 LYS 62 2HB LYS 62 8.589 9.897 17.534 465 HG2 LYS 62 1HG LYS 62 11.475 9.441 18.282 466 HG3 LYS 62 2HG LYS 62 10.794 9.171 16.664 467 HD2 LYS 62 1HD LYS 62 10.050 11.540 16.594 468 HD3 LYS 62 2HD LYS 62 10.804 11.808 18.182 469 HE2 LYS 62 1HE LYS 62 12.980 11.100 17.247 470 HE3 LYS 62 2HE LYS 62 12.217 10.927 15.651 471 HZ1 LYS 62 1HZ LYS 62 11.633 13.293 15.758 472 HZ2 LYS 62 2HZ LYS 62 13.266 13.107 15.896 473 HZ3 LYS 62 3HZ LYS 62 12.357 13.445 17.230 474 H ASP 63 H ASP 63 6.781 9.539 18.851 475 HA ASP 63 HA ASP 63 5.756 12.252 19.595 476 HB2 ASP 63 1HB ASP 63 5.020 10.505 17.204 477 HB3 ASP 63 2HB ASP 63 4.205 12.008 17.660 478 H LEU 64 H LEU 64 3.483 12.187 20.165 479 HA LEU 64 HA LEU 64 2.514 9.478 20.992 480 HB2 LEU 64 1HB LEU 64 2.177 12.147 22.423 481 HB3 LEU 64 2HB LEU 64 1.375 10.646 22.881 482 HG LEU 64 HG LEU 64 4.386 11.071 22.899 483 HD11 LEU 64 1HD1 LEU 64 4.139 11.211 25.344 484 HD12 LEU 64 2HD1 LEU 64 2.371 11.099 25.179 485 HD13 LEU 64 3HD1 LEU 64 3.243 12.509 24.531 486 HD21 LEU 64 1HD2 LEU 64 4.389 9.008 24.298 487 HD22 LEU 64 2HD2 LEU 64 3.806 8.711 22.649 488 HD23 LEU 64 3HD2 LEU 64 2.645 8.821 23.995 489 H SER 65 H SER 65 1.245 12.837 20.796 490 HA SER 65 HA SER 65 -1.276 11.992 19.718 491 HB2 SER 65 1HB SER 65 -0.601 14.756 19.174 492 HB3 SER 65 2HB SER 65 -1.786 14.099 20.325 493 HG SER 65 HG SER 65 -0.187 15.239 21.441 494 HA PRO 66 HA PRO 66 0.268 11.796 15.568 495 HB2 PRO 66 1HB PRO 66 -2.016 11.556 14.114 496 HB3 PRO 66 2HB PRO 66 -1.430 10.237 15.181 497 HG2 PRO 66 1HG PRO 66 -3.498 12.342 15.740 498 HG3 PRO 66 2HG PRO 66 -3.609 10.571 15.964 499 HD2 PRO 66 1HD PRO 66 -3.000 12.258 18.010 500 HD3 PRO 66 2HD PRO 66 -2.285 10.613 17.891 501 H ARG 67 H ARG 67 0.487 13.044 13.681 502 HA ARG 67 HA ARG 67 -0.633 15.810 13.859 503 HB2 ARG 67 1HB ARG 67 1.929 14.625 12.755 504 HB3 ARG 67 2HB ARG 67 1.366 16.229 12.297 505 HG2 ARG 67 1HG ARG 67 1.432 16.954 14.616 506 HG3 ARG 67 2HG ARG 67 1.985 15.337 15.117 507 HD2 ARG 67 1HD ARG 67 3.993 15.557 13.816 508 HD3 ARG 67 2HD ARG 67 3.392 17.032 13.067 509 HE ARG 67 HE ARG 67 3.836 18.255 15.056 510 HH11 ARG 67 1HH1 ARG 67 4.722 14.861 15.445 511 HH12 ARG 67 2HH1 ARG 67 5.716 15.162 16.841 512 HH21 ARG 67 1HH2 ARG 67 5.105 18.599 16.842 513 HH22 ARG 67 2HH2 ARG 67 5.899 17.258 17.633 514 H TRP 68 H TRP 68 -1.094 16.846 11.857 515 HA TRP 68 HA TRP 68 -1.552 15.033 9.526 516 HB2 TRP 68 1HB TRP 68 -3.438 17.047 10.782 517 HB3 TRP 68 2HB TRP 68 -3.610 16.486 9.114 518 HD1 TRP 68 HD1 TRP 68 -3.802 15.140 12.727 519 HE1 TRP 68 HE1 TRP 68 -5.224 13.026 12.781 520 HE3 TRP 68 HE3 TRP 68 -4.420 14.576 7.688 521 HZ2 TRP 68 HZ2 TRP 68 -6.439 11.319 10.881 522 HZ3 TRP 68 HZ3 TRP 68 -5.787 12.662 6.851 523 HH2 TRP 68 HH2 TRP 68 -6.798 11.047 8.458 524 H TYR 69 H TYR 69 -0.623 15.850 7.745 525 HA TYR 69 HA TYR 69 0.248 18.740 7.778 526 HB2 TYR 69 1HB TYR 69 1.315 16.266 6.350 527 HB3 TYR 69 2HB TYR 69 1.852 17.909 6.002 528 HD1 TYR 69 HD1 TYR 69 3.525 18.983 7.337 529 HD2 TYR 69 HD2 TYR 69 1.780 15.296 8.720 530 HE1 TYR 69 HE1 TYR 69 5.304 18.787 9.069 531 HE2 TYR 69 HE2 TYR 69 3.559 15.130 10.465 532 HH TYR 69 HH TYR 69 5.458 16.037 11.337 533 H PHE 70 H PHE 70 0.152 19.637 5.385 534 HA PHE 70 HA PHE 70 -2.308 18.535 4.093 535 HB2 PHE 70 1HB PHE 70 -2.706 20.746 5.034 536 HB3 PHE 70 2HB PHE 70 -1.272 21.372 4.217 537 HD1 PHE 70 HD1 PHE 70 -4.701 20.033 3.664 538 HD2 PHE 70 HD2 PHE 70 -1.326 22.033 1.900 539 HE1 PHE 70 HE1 PHE 70 -6.066 20.561 1.648 540 HE2 PHE 70 HE2 PHE 70 -2.689 22.580 -0.112 541 HZ PHE 70 HZ PHE 70 -5.070 21.851 -0.239 542 H TYR 71 H TYR 71 -2.299 18.172 1.955 543 HA TYR 71 HA TYR 71 0.195 18.765 0.432 544 HB2 TYR 71 1HB TYR 71 -0.996 16.160 1.238 545 HB3 TYR 71 2HB TYR 71 -0.379 16.283 -0.424 546 HD1 TYR 71 HD1 TYR 71 0.492 15.999 3.118 547 HD2 TYR 71 HD2 TYR 71 2.058 16.849 -0.796 548 HE1 TYR 71 HE1 TYR 71 2.818 15.614 3.956 549 HE2 TYR 71 HE2 TYR 71 4.370 16.496 0.052 550 HH TYR 71 HH TYR 71 5.678 15.884 1.817 551 H TYR 72 H TYR 72 -0.136 18.882 -1.796 552 HA TYR 72 HA TYR 72 -2.841 19.688 -2.548 553 HB2 TYR 72 1HB TYR 72 -0.170 19.698 -3.999 554 HB3 TYR 72 2HB TYR 72 -1.681 20.281 -4.712 555 HD1 TYR 72 HD1 TYR 72 0.717 20.881 -1.873 556 HD2 TYR 72 HD2 TYR 72 -2.536 22.461 -4.207 557 HE1 TYR 72 HE1 TYR 72 0.985 23.101 -0.767 558 HE2 TYR 72 HE2 TYR 72 -2.229 24.688 -3.120 559 HH TYR 72 HH TYR 72 -0.924 25.945 -1.658 560 H LEU 73 H LEU 73 -3.855 18.939 -4.559 561 HA LEU 73 HA LEU 73 -4.335 16.184 -4.516 562 HB2 LEU 73 1HB LEU 73 -5.426 18.334 -5.748 563 HB3 LEU 73 2HB LEU 73 -4.613 17.610 -7.121 564 HG LEU 73 HG LEU 73 -6.866 16.448 -5.463 565 HD11 LEU 73 1HD1 LEU 73 -8.087 16.562 -7.539 566 HD12 LEU 73 2HD1 LEU 73 -6.623 17.001 -8.438 567 HD13 LEU 73 3HD1 LEU 73 -7.323 18.135 -7.269 568 HD21 LEU 73 1HD2 LEU 73 -6.829 14.517 -7.070 569 HD22 LEU 73 2HD2 LEU 73 -5.481 14.536 -5.929 570 HD23 LEU 73 3HD2 LEU 73 -5.225 15.059 -7.611 571 H GLY 74 H GLY 74 -3.360 14.417 -5.278 572 HA2 GLY 74 1HA GLY 74 -2.149 13.060 -6.677 573 HA3 GLY 74 2HA GLY 74 -1.969 14.415 -7.789 574 H THR 75 H THR 75 -0.777 14.616 -4.433 575 HA THR 75 HA THR 75 1.933 14.929 -5.578 576 HB THR 75 HB THR 75 2.467 15.323 -3.042 577 HG1 THR 75 HG1 THR 75 -0.303 15.932 -2.945 578 HG21 THR 75 1HG2 THR 75 1.556 17.653 -3.143 579 HG22 THR 75 2HG2 THR 75 0.669 17.206 -4.618 580 HG23 THR 75 3HG2 THR 75 2.450 17.175 -4.600 581 H GLY 76 H GLY 76 3.667 13.634 -5.033 582 HA2 GLY 76 1HA GLY 76 4.666 11.740 -3.939 583 HA3 GLY 76 2HA GLY 76 3.051 11.042 -3.681 584 HA PRO 77 HA PRO 77 4.848 10.491 -8.150 585 HB2 PRO 77 1HB PRO 77 6.673 8.438 -8.084 586 HB3 PRO 77 2HB PRO 77 7.100 10.146 -7.832 587 HG2 PRO 77 1HG PRO 77 6.577 8.060 -5.747 588 HG3 PRO 77 2HG PRO 77 7.985 9.161 -5.912 589 HD2 PRO 77 1HD PRO 77 5.956 9.766 -4.265 590 HD3 PRO 77 2HD PRO 77 6.736 11.042 -5.264 591 H GLU 78 H GLU 78 4.447 7.900 -5.814 592 HA GLU 78 HA GLU 78 2.949 6.295 -7.849 593 HB2 GLU 78 1HB GLU 78 4.451 5.410 -5.354 594 HB3 GLU 78 2HB GLU 78 3.544 4.338 -6.435 595 HG2 GLU 78 1HG GLU 78 5.071 4.851 -8.279 596 HG3 GLU 78 2HG GLU 78 5.937 6.018 -7.267 597 H ALA 79 H ALA 79 1.941 8.558 -6.296 598 HA ALA 79 HA ALA 79 0.511 7.543 -4.020 599 HB1 ALA 79 1HB ALA 79 0.021 10.009 -5.766 600 HB2 ALA 79 2HB ALA 79 0.938 9.941 -4.249 601 HB3 ALA 79 3HB ALA 79 -0.816 9.673 -4.230 602 H GLY 80 H GLY 80 -0.431 8.242 -7.399 603 HA2 GLY 80 1HA GLY 80 -2.109 7.401 -8.714 604 HA3 GLY 80 2HA GLY 80 -2.098 5.981 -7.663 605 H LEU 81 H LEU 81 -2.853 9.022 -6.122 606 HA LEU 81 HA LEU 81 -5.567 7.986 -5.711 607 HB2 LEU 81 1HB LEU 81 -3.885 10.066 -4.314 608 HB3 LEU 81 2HB LEU 81 -5.556 9.750 -3.956 609 HG LEU 81 HG LEU 81 -3.323 7.792 -3.568 610 HD11 LEU 81 1HD1 LEU 81 -3.578 8.221 -1.204 611 HD12 LEU 81 2HD1 LEU 81 -4.929 9.333 -1.510 612 HD13 LEU 81 3HD1 LEU 81 -3.282 9.756 -2.040 613 HD21 LEU 81 1HD2 LEU 81 -5.521 6.692 -4.044 614 HD22 LEU 81 2HD2 LEU 81 -6.217 7.578 -2.666 615 HD23 LEU 81 3HD2 LEU 81 -4.928 6.385 -2.401 616 HA PRO 82 HA PRO 82 -7.096 11.521 -8.068 617 HB2 PRO 82 1HB PRO 82 -9.615 10.556 -8.441 618 HB3 PRO 82 2HB PRO 82 -8.230 9.944 -9.406 619 HG2 PRO 82 1HG PRO 82 -9.522 8.756 -6.965 620 HG3 PRO 82 2HG PRO 82 -9.051 7.959 -8.492 621 HD2 PRO 82 1HD PRO 82 -7.543 7.864 -6.257 622 HD3 PRO 82 2HD PRO 82 -6.852 7.805 -7.903 623 H TYR 83 H TYR 83 -8.983 13.017 -7.469 624 HA TYR 83 HA TYR 83 -8.973 13.512 -4.671 625 HB2 TYR 83 1HB TYR 83 -9.414 15.227 -6.388 626 HB3 TYR 83 2HB TYR 83 -10.946 14.442 -6.787 627 HD1 TYR 83 HD1 TYR 83 -9.096 16.266 -4.110 628 HD2 TYR 83 HD2 TYR 83 -12.918 14.827 -5.452 629 HE1 TYR 83 HE1 TYR 83 -10.218 17.571 -2.324 630 HE2 TYR 83 HE2 TYR 83 -14.037 16.156 -3.658 631 HH TYR 83 HH TYR 83 -13.765 17.633 -1.939 632 H GLY 84 H GLY 84 -10.130 12.725 -3.031 633 HA2 GLY 84 1HA GLY 84 -12.112 12.020 -1.982 634 HA3 GLY 84 2HA GLY 84 -12.811 11.607 -3.547 635 H ALA 85 H ALA 85 -9.823 10.205 -3.702 636 HA ALA 85 HA ALA 85 -10.862 7.573 -3.327 637 HB1 ALA 85 1HB ALA 85 -9.039 7.965 -4.805 638 HB2 ALA 85 2HB ALA 85 -8.468 6.894 -3.509 639 HB3 ALA 85 3HB ALA 85 -8.035 8.624 -3.496 640 H ASN 86 H ASN 86 -10.936 6.197 -1.643 641 HA ASN 86 HA ASN 86 -10.421 7.270 1.014 642 HB2 ASN 86 1HB ASN 86 -12.361 5.774 0.423 643 HB3 ASN 86 2HB ASN 86 -11.207 4.450 0.188 644 HD21 ASN 86 1HD2 ASN 86 -12.485 5.419 3.873 645 HD22 ASN 86 2HD2 ASN 86 -13.093 6.183 2.424 646 H LYS 87 H LYS 87 -8.678 7.005 2.259 647 HA LYS 87 HA LYS 87 -7.015 4.612 2.052 648 HB2 LYS 87 1HB LYS 87 -5.963 5.981 0.320 649 HB3 LYS 87 2HB LYS 87 -5.915 7.374 1.396 650 HG2 LYS 87 1HG LYS 87 -4.266 6.368 2.805 651 HG3 LYS 87 2HG LYS 87 -4.499 4.777 2.027 652 HD2 LYS 87 1HD LYS 87 -3.739 6.040 -0.111 653 HD3 LYS 87 2HD LYS 87 -3.070 7.209 1.050 654 HE2 LYS 87 1HE LYS 87 -2.470 4.243 0.832 655 HE3 LYS 87 2HE LYS 87 -1.359 5.589 0.516 656 HZ1 LYS 87 1HZ LYS 87 -0.988 4.615 2.710 657 HZ2 LYS 87 2HZ LYS 87 -2.546 4.915 3.159 658 HZ3 LYS 87 3HZ LYS 87 -1.520 6.169 2.880 659 H ASP 88 H ASP 88 -5.775 4.388 3.987 660 HA ASP 88 HA ASP 88 -6.955 5.578 6.315 661 HB2 ASP 88 1HB ASP 88 -5.794 3.396 6.400 662 HB3 ASP 88 2HB ASP 88 -4.260 4.193 6.011 663 H GLY 89 H GLY 89 -6.533 7.407 7.359 664 HA2 GLY 89 1HA GLY 89 -5.394 9.266 8.068 665 HA3 GLY 89 2HA GLY 89 -3.926 8.593 7.353 666 H ILE 90 H ILE 90 -6.717 9.048 5.289 667 HA ILE 90 HA ILE 90 -5.498 11.564 4.241 668 HB ILE 90 HB ILE 90 -6.617 9.255 2.580 669 HG12 ILE 90 1HG1 ILE 90 -4.406 8.714 3.497 670 HG13 ILE 90 2HG1 ILE 90 -4.373 8.908 1.753 671 HG21 ILE 90 1HG2 ILE 90 -5.675 10.629 0.639 672 HG22 ILE 90 2HG2 ILE 90 -5.494 11.976 1.790 673 HG23 ILE 90 3HG2 ILE 90 -7.101 11.317 1.439 674 HD11 ILE 90 1HD1 ILE 90 -3.572 11.228 3.494 675 HD12 ILE 90 2HD1 ILE 90 -3.098 10.815 1.827 676 HD13 ILE 90 3HD1 ILE 90 -2.461 9.862 3.182 677 H ILE 91 H ILE 91 -6.874 13.159 4.104 678 HA ILE 91 HA ILE 91 -9.762 12.533 3.639 679 HB ILE 91 HB ILE 91 -10.365 14.476 5.123 680 HG12 ILE 91 1HG1 ILE 91 -7.979 14.273 6.805 681 HG13 ILE 91 2HG1 ILE 91 -7.577 14.863 5.218 682 HG21 ILE 91 1HG2 ILE 91 -9.001 12.180 6.594 683 HG22 ILE 91 2HG2 ILE 91 -10.612 12.096 5.846 684 HG23 ILE 91 3HG2 ILE 91 -10.322 13.215 7.193 685 HD11 ILE 91 1HD1 ILE 91 -8.118 16.700 6.762 686 HD12 ILE 91 2HD1 ILE 91 -9.762 16.054 6.945 687 HD13 ILE 91 3HD1 ILE 91 -9.199 16.652 5.359 688 H TRP 92 H TRP 92 -10.537 13.568 1.933 689 HA TRP 92 HA TRP 92 -8.797 15.544 0.633 690 HB2 TRP 92 1HB TRP 92 -11.327 14.124 -0.239 691 HB3 TRP 92 2HB TRP 92 -10.385 15.226 -1.246 692 HD1 TRP 92 HD1 TRP 92 -10.291 11.708 0.202 693 HE1 TRP 92 HE1 TRP 92 -8.420 10.351 -0.830 694 HE3 TRP 92 HE3 TRP 92 -8.029 15.517 -2.357 695 HZ2 TRP 92 HZ2 TRP 92 -6.166 10.865 -2.492 696 HZ3 TRP 92 HZ3 TRP 92 -5.982 15.001 -3.690 697 HH2 TRP 92 HH2 TRP 92 -5.065 12.678 -3.758 698 H VAL 93 H VAL 93 -9.189 17.631 0.260 699 HA VAL 93 HA VAL 93 -11.862 18.746 0.958 700 HB VAL 93 HB VAL 93 -10.687 20.727 2.024 701 HG11 VAL 93 1HG1 VAL 93 -10.353 19.672 4.208 702 HG12 VAL 93 2HG1 VAL 93 -10.265 18.067 3.445 703 HG13 VAL 93 3HG1 VAL 93 -11.782 18.997 3.398 704 HG21 VAL 93 1HG2 VAL 93 -8.409 20.511 2.830 705 HG22 VAL 93 2HG2 VAL 93 -8.401 20.249 1.076 706 HG23 VAL 93 3HG2 VAL 93 -8.276 18.863 2.185 707 H ALA 94 H ALA 94 -12.310 20.741 -0.093 708 HA ALA 94 HA ALA 94 -10.482 21.820 -2.101 709 HB1 ALA 94 1HB ALA 94 -11.484 19.849 -3.324 710 HB2 ALA 94 2HB ALA 94 -12.015 21.404 -4.001 711 HB3 ALA 94 3HB ALA 94 -13.106 20.474 -2.946 712 H THR 95 H THR 95 -11.747 23.753 -3.068 713 HA THR 95 HA THR 95 -13.987 24.609 -1.315 714 HB THR 95 HB THR 95 -11.776 25.583 -0.453 715 HG1 THR 95 HG1 THR 95 -12.701 27.812 -0.602 716 HG21 THR 95 1HG2 THR 95 -10.674 27.310 -1.690 717 HG22 THR 95 2HG2 THR 95 -11.904 27.278 -2.972 718 HG23 THR 95 3HG2 THR 95 -10.790 25.910 -2.773 719 H GLU 96 H GLU 96 -14.837 26.787 -2.415 720 HA GLU 96 HA GLU 96 -15.691 26.018 -5.026 721 HB2 GLU 96 1HB GLU 96 -16.913 27.477 -3.391 722 HB3 GLU 96 2HB GLU 96 -15.767 28.774 -3.744 723 HG2 GLU 96 1HG GLU 96 -16.497 28.822 -6.075 724 HG3 GLU 96 2HG GLU 96 -17.568 27.437 -5.790 725 H GLY 97 H GLY 97 -14.904 26.439 -7.008 726 HA2 GLY 97 1HA GLY 97 -13.797 27.714 -8.647 727 HA3 GLY 97 2HA GLY 97 -12.926 28.593 -7.386 728 H ALA 98 H ALA 98 -12.521 25.559 -6.344 729 HA ALA 98 HA ALA 98 -9.846 25.415 -7.421 730 HB1 ALA 98 1HB ALA 98 -9.626 23.471 -6.015 731 HB2 ALA 98 2HB ALA 98 -11.393 23.378 -5.799 732 HB3 ALA 98 3HB ALA 98 -10.477 24.748 -5.119 733 H LEU 99 H LEU 99 -8.980 24.071 -8.955 734 HA LEU 99 HA LEU 99 -10.847 22.752 -10.818 735 HB2 LEU 99 1HB LEU 99 -7.859 23.223 -10.701 736 HB3 LEU 99 2HB LEU 99 -8.522 22.045 -11.822 737 HG LEU 99 HG LEU 99 -9.218 24.995 -11.824 738 HD11 LEU 99 1HD1 LEU 99 -7.817 25.057 -13.860 739 HD12 LEU 99 2HD1 LEU 99 -7.406 23.339 -13.641 740 HD13 LEU 99 3HD1 LEU 99 -6.867 24.552 -12.451 741 HD21 LEU 99 1HD2 LEU 99 -10.180 24.466 -14.066 742 HD22 LEU 99 2HD2 LEU 99 -11.048 23.672 -12.743 743 HD23 LEU 99 3HD2 LEU 99 -9.912 22.736 -13.750 744 H ASN 100 H ASN 100 -10.449 20.467 -11.477 745 HA ASN 100 HA ASN 100 -9.549 18.834 -9.135 746 HB2 ASN 100 1HB ASN 100 -11.999 18.730 -9.645 747 HB3 ASN 100 2HB ASN 100 -11.599 18.081 -11.242 748 HD21 ASN 100 1HD2 ASN 100 -12.105 14.977 -9.666 749 HD22 ASN 100 2HD2 ASN 100 -12.797 16.200 -10.702 750 H THR 101 H THR 101 -7.397 19.253 -10.216 751 HA THR 101 HA THR 101 -6.845 16.965 -12.013 752 HB THR 101 HB THR 101 -7.151 19.299 -13.287 753 HG1 THR 101 HG1 THR 101 -5.485 18.589 -14.738 754 HG21 THR 101 1HG2 THR 101 -5.115 20.577 -13.528 755 HG22 THR 101 2HG2 THR 101 -4.229 19.458 -12.465 756 HG23 THR 101 3HG2 THR 101 -5.510 20.506 -11.798 757 HA PRO 102 HA PRO 102 -3.503 16.697 -9.127 758 HB2 PRO 102 1HB PRO 102 -1.468 15.645 -10.625 759 HB3 PRO 102 2HB PRO 102 -2.874 14.668 -10.083 760 HG2 PRO 102 1HG PRO 102 -2.396 16.036 -12.721 761 HG3 PRO 102 2HG PRO 102 -2.917 14.350 -12.402 762 HD2 PRO 102 1HD PRO 102 -4.690 16.251 -13.029 763 HD3 PRO 102 2HD PRO 102 -5.073 15.017 -11.783 764 H LYS 103 H LYS 103 -1.649 17.775 -8.419 765 HA LYS 103 HA LYS 103 -0.154 19.483 -10.294 766 HB2 LYS 103 1HB LYS 103 -0.582 21.505 -8.769 767 HB3 LYS 103 2HB LYS 103 -1.798 21.049 -9.948 768 HG2 LYS 103 1HG LYS 103 -2.983 19.792 -7.982 769 HG3 LYS 103 2HG LYS 103 -1.907 20.737 -6.941 770 HD2 LYS 103 1HD LYS 103 -3.852 22.043 -7.101 771 HD3 LYS 103 2HD LYS 103 -2.738 22.777 -8.271 772 HE2 LYS 103 1HE LYS 103 -3.877 21.305 -10.046 773 HE3 LYS 103 2HE LYS 103 -5.113 20.966 -8.832 774 HZ1 LYS 103 1HZ LYS 103 -5.664 22.834 -10.340 775 HZ2 LYS 103 2HZ LYS 103 -4.399 23.706 -9.761 776 HZ3 LYS 103 3HZ LYS 103 -5.651 23.306 -8.765 777 H ASP 104 H ASP 104 0.949 17.473 -9.388 778 HA ASP 104 HA ASP 104 1.905 17.334 -6.738 779 HB2 ASP 104 1HB ASP 104 3.499 15.749 -7.604 780 HB3 ASP 104 2HB ASP 104 1.978 15.527 -8.483 781 H HIS 105 H HIS 105 3.036 19.178 -9.494 782 HA HIS 105 HA HIS 105 5.690 19.667 -8.675 783 HB2 HIS 105 1HB HIS 105 5.614 21.537 -10.249 784 HB3 HIS 105 2HB HIS 105 4.842 20.102 -10.936 785 HD1 HIS 105 HD1 HIS 105 2.219 20.210 -11.306 786 HD2 HIS 105 HD2 HIS 105 3.939 23.710 -9.827 787 HE1 HIS 105 HE1 HIS 105 0.461 22.033 -11.472 788 H ILE 106 H ILE 106 2.703 21.055 -7.447 789 HA ILE 106 HA ILE 106 3.966 23.433 -6.373 790 HB ILE 106 HB ILE 106 1.361 22.041 -5.547 791 HG12 ILE 106 1HG1 ILE 106 1.924 24.382 -7.420 792 HG13 ILE 106 2HG1 ILE 106 1.453 22.757 -7.919 793 HG21 ILE 106 1HG2 ILE 106 0.769 24.246 -4.523 794 HG22 ILE 106 2HG2 ILE 106 2.371 24.885 -4.955 795 HG23 ILE 106 3HG2 ILE 106 2.213 23.575 -3.762 796 HD11 ILE 106 1HD1 ILE 106 -0.487 24.053 -8.086 797 HD12 ILE 106 2HD1 ILE 106 -0.229 24.828 -6.504 798 HD13 ILE 106 3HD1 ILE 106 -0.691 23.103 -6.595 799 H GLY 107 H GLY 107 3.584 20.073 -5.339 800 HA2 GLY 107 1HA GLY 107 4.243 20.585 -2.565 801 HA3 GLY 107 2HA GLY 107 4.152 19.016 -3.365 802 H THR 108 H THR 108 6.284 21.261 -4.894 803 HA THR 108 HA THR 108 8.556 19.577 -4.146 804 HB THR 108 HB THR 108 8.132 20.441 -6.493 805 HG1 THR 108 HG1 THR 108 10.587 21.129 -5.225 806 HG21 THR 108 1HG2 THR 108 9.265 23.079 -5.464 807 HG22 THR 108 2HG2 THR 108 7.529 22.820 -5.762 808 HG23 THR 108 3HG2 THR 108 8.687 22.694 -7.097 809 H ARG 109 H ARG 109 7.264 21.679 -2.147 810 HA ARG 109 HA ARG 109 9.221 23.719 -1.767 811 HB2 ARG 109 1HB ARG 109 6.964 23.633 -0.601 812 HB3 ARG 109 2HB ARG 109 7.637 22.381 0.454 813 HG2 ARG 109 1HG ARG 109 9.473 24.046 1.084 814 HG3 ARG 109 2HG ARG 109 8.571 25.276 0.194 815 HD2 ARG 109 1HD ARG 109 8.091 25.457 2.564 816 HD3 ARG 109 2HD ARG 109 6.646 24.916 1.706 817 HE ARG 109 HE ARG 109 6.736 22.867 2.789 818 HH11 ARG 109 1HH1 ARG 109 9.735 24.620 3.567 819 HH12 ARG 109 2HH1 ARG 109 10.132 23.489 4.826 820 HH21 ARG 109 1HH2 ARG 109 7.314 21.541 4.392 821 HH22 ARG 109 2HH2 ARG 109 8.807 21.769 5.280 822 H ASN 110 H ASN 110 11.210 23.723 -0.966 823 HA ASN 110 HA ASN 110 12.235 21.155 0.165 824 HB2 ASN 110 1HB ASN 110 13.285 23.117 -1.744 825 HB3 ASN 110 2HB ASN 110 14.397 22.854 -0.395 826 HD21 ASN 110 1HD2 ASN 110 14.768 20.369 -3.278 827 HD22 ASN 110 2HD2 ASN 110 14.428 22.079 -3.311 828 HA PRO 111 HA PRO 111 12.167 23.599 3.839 829 HB2 PRO 111 1HB PRO 111 13.597 22.040 5.564 830 HB3 PRO 111 2HB PRO 111 11.948 21.602 5.010 831 HG2 PRO 111 1HG PRO 111 14.604 20.675 3.930 832 HG3 PRO 111 2HG PRO 111 13.188 19.695 4.435 833 HD2 PRO 111 1HD PRO 111 13.610 20.313 1.846 834 HD3 PRO 111 2HD PRO 111 11.949 20.296 2.533 835 H ALA 112 H ALA 112 15.106 22.663 2.235 836 HA ALA 112 HA ALA 112 16.903 24.245 3.863 837 HB1 ALA 112 1HB ALA 112 17.684 22.325 2.498 838 HB2 ALA 112 2HB ALA 112 18.488 23.832 1.997 839 HB3 ALA 112 3HB ALA 112 17.167 23.164 1.010 840 H ASN 113 H ASN 113 14.699 24.864 1.229 841 HA ASN 113 HA ASN 113 16.045 27.438 0.603 842 HB2 ASN 113 1HB ASN 113 13.848 25.923 -0.853 843 HB3 ASN 113 2HB ASN 113 14.592 27.432 -1.396 844 HD21 ASN 113 1HD2 ASN 113 16.167 24.388 -2.984 845 HD22 ASN 113 2HD2 ASN 113 14.500 24.846 -2.721 846 H ASN 114 H ASN 114 13.115 26.140 2.059 847 HA ASN 114 HA ASN 114 12.290 28.865 2.764 848 HB2 ASN 114 1HB ASN 114 11.232 28.704 0.620 849 HB3 ASN 114 2HB ASN 114 10.588 27.092 0.997 850 HD21 ASN 114 1HD2 ASN 114 7.753 28.328 2.498 851 HD22 ASN 114 2HD2 ASN 114 8.588 27.069 1.623 852 H ALA 115 H ALA 115 10.896 28.997 4.465 853 HA ALA 115 HA ALA 115 10.666 26.539 6.089 854 HB1 ALA 115 1HB ALA 115 11.529 28.617 7.121 855 HB2 ALA 115 2HB ALA 115 10.004 28.106 7.886 856 HB3 ALA 115 3HB ALA 115 10.004 29.450 6.721 857 H ALA 116 H ALA 116 8.704 25.720 6.860 858 HA ALA 116 HA ALA 116 6.419 26.024 5.137 859 HB1 ALA 116 1HB ALA 116 5.326 24.473 6.682 860 HB2 ALA 116 2HB ALA 116 6.644 24.675 7.858 861 HB3 ALA 116 3HB ALA 116 6.956 23.894 6.286 862 H ILE 117 H ILE 117 4.404 26.908 5.598 863 HA ILE 117 HA ILE 117 4.520 29.236 7.429 864 HB ILE 117 HB ILE 117 2.308 28.409 5.504 865 HG12 ILE 117 1HG1 ILE 117 3.872 30.582 4.473 866 HG13 ILE 117 2HG1 ILE 117 4.961 29.243 4.835 867 HG21 ILE 117 1HG2 ILE 117 1.740 30.836 5.520 868 HG22 ILE 117 2HG2 ILE 117 2.995 31.099 6.754 869 HG23 ILE 117 3HG2 ILE 117 1.573 30.084 7.116 870 HD11 ILE 117 1HD1 ILE 117 4.187 29.065 2.524 871 HD12 ILE 117 2HD1 ILE 117 2.490 29.125 3.048 872 HD13 ILE 117 3HD1 ILE 117 3.498 27.718 3.463 873 H VAL 118 H VAL 118 3.118 29.464 9.231 874 HA VAL 118 HA VAL 118 2.138 27.122 10.538 875 HB VAL 118 HB VAL 118 1.317 30.056 10.876 876 HG11 VAL 118 1HG1 VAL 118 0.539 29.344 13.140 877 HG12 VAL 118 2HG1 VAL 118 0.817 27.650 12.680 878 HG13 VAL 118 3HG1 VAL 118 -0.412 28.616 11.833 879 HG21 VAL 118 1HG2 VAL 118 2.861 29.982 12.836 880 HG22 VAL 118 2HG2 VAL 118 3.712 29.694 11.307 881 HG23 VAL 118 3HG2 VAL 118 3.335 28.328 12.382 882 H LEU 119 H LEU 119 0.405 25.907 10.077 883 HA LEU 119 HA LEU 119 -1.367 26.625 7.920 884 HB2 LEU 119 1HB LEU 119 -0.592 24.326 8.630 885 HB3 LEU 119 2HB LEU 119 -1.714 24.414 9.975 886 HG LEU 119 HG LEU 119 -2.660 24.704 7.106 887 HD11 LEU 119 1HD1 LEU 119 -3.023 22.295 7.029 888 HD12 LEU 119 2HD1 LEU 119 -2.301 22.104 8.645 889 HD13 LEU 119 3HD1 LEU 119 -1.303 22.641 7.282 890 HD21 LEU 119 1HD2 LEU 119 -3.964 23.864 9.722 891 HD22 LEU 119 2HD2 LEU 119 -4.722 23.584 8.144 892 HD23 LEU 119 3HD2 LEU 119 -4.389 25.234 8.684 893 H GLN 120 H GLN 120 -3.223 27.691 7.959 894 HA GLN 120 HA GLN 120 -4.657 28.125 10.548 895 HB2 GLN 120 1HB GLN 120 -3.947 30.158 8.411 896 HB3 GLN 120 2HB GLN 120 -5.092 30.458 9.726 897 HG2 GLN 120 1HG GLN 120 -3.418 30.479 11.349 898 HG3 GLN 120 2HG GLN 120 -2.281 29.602 10.325 899 HE21 GLN 120 1HE2 GLN 120 -0.938 32.418 8.799 900 HE22 GLN 120 2HE2 GLN 120 -0.979 30.668 8.912 901 H LEU 121 H LEU 121 -6.948 28.763 10.098 902 HA LEU 121 HA LEU 121 -7.875 27.563 7.519 903 HB2 LEU 121 1HB LEU 121 -8.973 27.487 10.320 904 HB3 LEU 121 2HB LEU 121 -10.072 27.403 8.956 905 HG LEU 121 HG LEU 121 -7.845 25.416 9.502 906 HD11 LEU 121 1HD1 LEU 121 -9.806 23.936 10.030 907 HD12 LEU 121 2HD1 LEU 121 -10.855 25.366 9.916 908 HD13 LEU 121 3HD1 LEU 121 -9.594 25.288 11.159 909 HD21 LEU 121 1HD2 LEU 121 -10.043 25.482 7.382 910 HD22 LEU 121 2HD2 LEU 121 -9.080 24.038 7.775 911 HD23 LEU 121 3HD2 LEU 121 -8.291 25.475 7.110 912 HA PRO 122 HA PRO 122 -9.444 31.557 6.669 913 HB2 PRO 122 1HB PRO 122 -11.371 31.045 4.820 914 HB3 PRO 122 2HB PRO 122 -9.625 30.757 4.483 915 HG2 PRO 122 1HG PRO 122 -11.723 28.811 5.404 916 HG3 PRO 122 2HG PRO 122 -10.603 28.680 4.013 917 HD2 PRO 122 1HD PRO 122 -10.054 27.513 6.367 918 HD3 PRO 122 2HD PRO 122 -8.757 28.274 5.382 919 H GLN 123 H GLN 123 -11.462 32.890 6.561 920 HA GLN 123 HA GLN 123 -12.894 32.743 8.970 921 HB2 GLN 123 1HB GLN 123 -12.601 34.748 7.475 922 HB3 GLN 123 2HB GLN 123 -13.786 34.045 6.368 923 HG2 GLN 123 1HG GLN 123 -15.519 34.184 8.097 924 HG3 GLN 123 2HG GLN 123 -14.332 34.799 9.260 925 HE21 GLN 123 1HE2 GLN 123 -15.114 38.065 8.381 926 HE22 GLN 123 2HE2 GLN 123 -14.800 36.877 9.623 927 H GLY 124 H GLY 124 -14.695 31.718 9.633 928 HA2 GLY 124 1HA GLY 124 -16.791 30.672 9.377 929 HA3 GLY 124 2HA GLY 124 -16.496 30.491 7.644 930 H THR 125 H THR 125 -13.646 29.406 8.528 931 HA THR 125 HA THR 125 -14.687 26.653 9.063 932 HB THR 125 HB THR 125 -11.952 27.296 7.925 933 HG1 THR 125 HG1 THR 125 -13.551 28.228 6.577 934 HG21 THR 125 1HG2 THR 125 -12.466 24.964 8.749 935 HG22 THR 125 2HG2 THR 125 -12.160 25.039 7.006 936 HG23 THR 125 3HG2 THR 125 -13.817 24.899 7.616 937 H THR 126 H THR 126 -14.226 25.719 10.930 938 HA THR 126 HA THR 126 -12.002 26.841 12.575 939 HB THR 126 HB THR 126 -13.451 26.081 14.543 940 HG1 THR 126 HG1 THR 126 -15.655 25.864 14.077 941 HG21 THR 126 1HG2 THR 126 -14.775 28.120 14.555 942 HG22 THR 126 2HG2 THR 126 -14.577 28.297 12.796 943 HG23 THR 126 3HG2 THR 126 -13.167 28.453 13.873 944 H LEU 127 H LEU 127 -10.915 25.371 13.908 945 HA LEU 127 HA LEU 127 -10.629 22.731 12.748 946 HB2 LEU 127 1HB LEU 127 -9.592 23.907 15.334 947 HB3 LEU 127 2HB LEU 127 -9.125 22.346 14.719 948 HG LEU 127 HG LEU 127 -8.564 24.942 13.263 949 HD11 LEU 127 1HD1 LEU 127 -6.255 24.684 14.074 950 HD12 LEU 127 2HD1 LEU 127 -6.741 23.266 15.033 951 HD13 LEU 127 3HD1 LEU 127 -7.389 24.873 15.430 952 HD21 LEU 127 1HD2 LEU 127 -7.001 23.566 11.965 953 HD22 LEU 127 2HD2 LEU 127 -8.635 22.898 11.842 954 HD23 LEU 127 3HD2 LEU 127 -7.443 22.126 12.912 955 HA PRO 128 HA PRO 128 -13.651 20.810 15.335 956 HB2 PRO 128 1HB PRO 128 -12.913 18.194 15.253 957 HB3 PRO 128 2HB PRO 128 -13.510 19.056 13.799 958 HG2 PRO 128 1HG PRO 128 -10.724 18.438 14.629 959 HG3 PRO 128 2HG PRO 128 -11.492 18.265 13.029 960 HD2 PRO 128 1HD PRO 128 -9.897 20.395 13.780 961 HD3 PRO 128 2HD PRO 128 -11.172 20.523 12.534 962 H LYS 129 H LYS 129 -13.793 19.294 17.339 963 HA LYS 129 HA LYS 129 -12.285 20.502 19.416 964 HB2 LYS 129 1HB LYS 129 -14.501 19.445 19.717 965 HB3 LYS 129 2HB LYS 129 -13.778 17.855 19.432 966 HG2 LYS 129 1HG LYS 129 -12.390 18.098 21.441 967 HG3 LYS 129 2HG LYS 129 -13.049 19.724 21.716 968 HD2 LYS 129 1HD LYS 129 -15.282 18.799 22.034 969 HD3 LYS 129 2HD LYS 129 -14.698 17.174 21.623 970 HE2 LYS 129 1HE LYS 129 -14.888 17.369 24.045 971 HE3 LYS 129 2HE LYS 129 -13.181 17.221 23.586 972 HZ1 LYS 129 1HZ LYS 129 -14.551 19.764 24.274 973 HZ2 LYS 129 2HZ LYS 129 -12.961 19.618 23.856 974 HZ3 LYS 129 3HZ LYS 129 -13.510 18.940 25.253 975 H GLY 130 H GLY 130 -10.330 20.169 20.216 976 HA2 GLY 130 1HA GLY 130 -8.626 18.806 21.108 977 HA3 GLY 130 2HA GLY 130 -9.152 17.469 20.086 978 H PHE 131 H PHE 131 -9.001 20.098 18.045 979 HA PHE 131 HA PHE 131 -6.296 19.300 17.189 980 HB2 PHE 131 1HB PHE 131 -8.812 20.009 15.868 981 HB3 PHE 131 2HB PHE 131 -7.421 20.888 15.231 982 HD1 PHE 131 HD1 PHE 131 -9.058 17.629 15.496 983 HD2 PHE 131 HD2 PHE 131 -5.513 19.697 14.274 984 HE1 PHE 131 HE1 PHE 131 -8.412 15.680 14.099 985 HE2 PHE 131 HE2 PHE 131 -4.835 17.729 12.893 986 HZ PHE 131 HZ PHE 131 -6.297 15.736 12.802 987 H TYR 132 H TYR 132 -4.735 20.687 16.904 988 HA TYR 132 HA TYR 132 -5.212 23.599 17.000 989 HB2 TYR 132 1HB TYR 132 -3.508 24.017 18.666 990 HB3 TYR 132 2HB TYR 132 -4.777 23.004 19.351 991 HD1 TYR 132 HD1 TYR 132 -1.216 23.239 18.490 992 HD2 TYR 132 HD2 TYR 132 -4.323 20.548 19.792 993 HE1 TYR 132 HE1 TYR 132 0.505 21.628 19.301 994 HE2 TYR 132 HE2 TYR 132 -2.592 18.953 20.599 995 HH TYR 132 HH TYR 132 -0.369 18.563 20.905 996 H ALA 133 H ALA 133 -3.090 24.746 16.385 997 HA ALA 133 HA ALA 133 -1.830 23.115 14.235 998 HB1 ALA 133 1HB ALA 133 -3.164 25.089 13.511 999 HB2 ALA 133 2HB ALA 133 -1.445 25.254 13.088 1000 HB3 ALA 133 3HB ALA 133 -2.107 26.141 14.479 1001 H GLU 134 H GLU 134 0.359 23.099 13.865 1002 HA GLU 134 HA GLU 134 2.064 23.586 16.175 1003 HB2 GLU 134 1HB GLU 134 2.527 21.745 14.647 1004 HB3 GLU 134 2HB GLU 134 2.619 22.849 13.282 1005 HG2 GLU 134 1HG GLU 134 4.841 22.205 13.865 1006 HG3 GLU 134 2HG GLU 134 4.628 23.908 14.291 1007 H GLY 135 H GLY 135 3.474 25.245 16.526 1008 HA2 GLY 135 1HA GLY 135 4.652 27.220 16.018 1009 HA3 GLY 135 2HA GLY 135 3.787 27.354 14.483 1010 H SER 136 H SER 136 1.121 27.088 15.610 1011 HA SER 136 HA SER 136 0.754 29.860 16.377 1012 HB2 SER 136 1HB SER 136 -0.838 28.618 14.901 1013 HB3 SER 136 2HB SER 136 -1.248 27.566 16.273 1014 HG SER 136 HG SER 136 -2.718 29.307 16.054 1015 H ARG 137 H ARG 137 0.499 30.656 18.335 1016 HA ARG 137 HA ARG 137 -0.159 28.885 20.631 1017 HB2 ARG 137 1HB ARG 137 2.399 30.352 20.179 1018 HB3 ARG 137 2HB ARG 137 1.629 30.660 21.734 1019 HG2 ARG 137 1HG ARG 137 2.974 28.891 22.303 1020 HG3 ARG 137 2HG ARG 137 1.475 28.042 21.905 1021 HD2 ARG 137 1HD ARG 137 3.303 26.843 20.912 1022 HD3 ARG 137 2HD ARG 137 2.408 27.622 19.601 1023 HE ARG 137 HE ARG 137 4.428 29.411 20.308 1024 HH11 ARG 137 1HH1 ARG 137 4.305 26.117 19.057 1025 HH12 ARG 137 2HH1 ARG 137 5.828 26.267 18.226 1026 HH21 ARG 137 1HH2 ARG 137 6.361 29.546 19.221 1027 HH22 ARG 137 2HH2 ARG 137 6.974 28.186 18.324 1028 H GLY 138 H GLY 138 -1.340 29.960 22.201 1029 HA2 GLY 138 1HA GLY 138 -1.667 32.494 22.943 1030 HA3 GLY 138 2HA GLY 138 -2.500 32.536 21.361 1031 H GLY 139 H GLY 139 -4.214 32.993 23.374 1032 HA2 GLY 139 1HA GLY 139 -6.337 32.058 23.876 1033 HA3 GLY 139 2HA GLY 139 -5.694 30.438 23.553 1034 H SER 140 H SER 140 -6.357 29.522 25.489 1035 HA SER 140 HA SER 140 -5.052 30.564 27.973 1036 HB2 SER 140 1HB SER 140 -6.964 29.508 29.164 1037 HB3 SER 140 2HB SER 140 -7.519 30.785 28.052 1038 HG SER 140 HG SER 140 -7.305 28.105 27.190 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 19.219 -0.871 -6.005 2 H2 GLY 1 2H GLY 1 17.758 -0.242 -5.566 3 H3 GLY 1 3H GLY 1 18.339 -1.582 -4.803 4 HA2 GLY 1 1HA GLY 1 20.158 -0.342 -3.865 5 HA3 GLY 1 2HA GLY 1 19.541 1.100 -4.697 6 H ALA 2 H ALA 2 19.729 1.603 -2.123 7 HA ALA 2 HA ALA 2 17.475 0.668 -0.566 8 HB1 ALA 2 1HB ALA 2 19.569 1.536 0.478 9 HB2 ALA 2 2HB ALA 2 18.148 2.468 1.000 10 HB3 ALA 2 3HB ALA 2 19.247 3.142 -0.227 11 H MET 3 H MET 3 15.577 1.917 -0.016 12 HA MET 3 HA MET 3 14.984 4.323 -1.595 13 HB2 MET 3 1HB MET 3 14.269 2.303 -2.970 14 HB3 MET 3 2HB MET 3 13.187 1.859 -1.643 15 HG2 MET 3 1HG MET 3 11.955 3.975 -1.930 16 HG3 MET 3 2HG MET 3 13.087 4.464 -3.206 17 HE1 MET 3 1HE MET 3 9.690 1.346 -3.580 18 HE2 MET 3 2HE MET 3 9.831 2.600 -2.330 19 HE3 MET 3 3HE MET 3 10.904 1.178 -2.290 20 H GLY 4 H GLY 4 13.536 5.585 -0.411 21 HA2 GLY 4 1HA GLY 4 11.961 4.571 1.757 22 HA3 GLY 4 2HA GLY 4 13.473 5.280 2.360 23 H LEU 5 H LEU 5 13.370 7.344 2.882 24 HA LEU 5 HA LEU 5 11.064 8.941 2.117 25 HB2 LEU 5 1HB LEU 5 13.614 9.633 3.621 26 HB3 LEU 5 2HB LEU 5 12.240 10.719 3.438 27 HG LEU 5 HG LEU 5 12.101 8.029 4.848 28 HD11 LEU 5 1HD1 LEU 5 12.150 9.318 6.924 29 HD12 LEU 5 2HD1 LEU 5 12.369 10.829 6.000 30 HD13 LEU 5 3HD1 LEU 5 13.636 9.578 5.988 31 HD21 LEU 5 1HD2 LEU 5 9.989 8.961 5.792 32 HD22 LEU 5 2HD2 LEU 5 9.914 8.781 4.031 33 HD23 LEU 5 3HD2 LEU 5 10.169 10.391 4.744 34 HA PRO 6 HA PRO 6 13.074 10.803 -1.388 35 HB2 PRO 6 1HB PRO 6 11.601 13.067 -1.722 36 HB3 PRO 6 2HB PRO 6 10.901 11.442 -2.020 37 HG2 PRO 6 1HG PRO 6 10.725 13.154 0.447 38 HG3 PRO 6 2HG PRO 6 9.403 12.371 -0.476 39 HD2 PRO 6 1HD PRO 6 10.452 11.259 1.749 40 HD3 PRO 6 2HD PRO 6 9.921 10.256 0.353 41 H ASN 7 H ASN 7 14.249 12.856 -1.994 42 HA ASN 7 HA ASN 7 16.027 13.578 0.097 43 HB2 ASN 7 1HB ASN 7 16.404 13.596 -2.441 44 HB3 ASN 7 2HB ASN 7 15.596 15.172 -2.447 45 HD21 ASN 7 1HD2 ASN 7 18.507 16.845 -1.590 46 HD22 ASN 7 2HD2 ASN 7 16.905 16.882 -2.285 47 H ASN 8 H ASN 8 13.112 15.232 -1.090 48 HA ASN 8 HA ASN 8 13.378 17.158 1.143 49 HB2 ASN 8 1HB ASN 8 13.090 17.969 -1.780 50 HB3 ASN 8 2HB ASN 8 12.788 19.057 -0.411 51 HD21 ASN 8 1HD2 ASN 8 16.269 19.187 0.513 52 HD22 ASN 8 2HD2 ASN 8 14.695 19.008 1.246 53 H THR 9 H THR 9 11.244 17.999 -1.407 54 HA THR 9 HA THR 9 8.988 18.336 -1.365 55 HB THR 9 HB THR 9 7.652 16.242 -1.436 56 HG1 THR 9 HG1 THR 9 9.157 15.157 0.070 57 HG21 THR 9 1HG2 THR 9 8.719 15.358 -3.457 58 HG22 THR 9 2HG2 THR 9 10.245 16.161 -3.037 59 HG23 THR 9 3HG2 THR 9 8.811 17.130 -3.456 60 H ALA 10 H ALA 10 8.874 19.603 0.531 61 HA ALA 10 HA ALA 10 7.631 18.183 2.838 62 HB1 ALA 10 1HB ALA 10 8.397 20.074 4.190 63 HB2 ALA 10 2HB ALA 10 9.042 20.881 2.737 64 HB3 ALA 10 3HB ALA 10 9.767 19.358 3.310 65 H SER 11 H SER 11 5.760 19.009 3.752 66 HA SER 11 HA SER 11 3.827 20.228 2.072 67 HB2 SER 11 1HB SER 11 3.877 20.333 5.108 68 HB3 SER 11 2HB SER 11 2.456 20.282 4.045 69 HG SER 11 HG SER 11 2.949 18.184 3.525 70 H TRP 12 H TRP 12 3.041 22.386 1.976 71 HA TRP 12 HA TRP 12 4.961 24.457 2.419 72 HB2 TRP 12 1HB TRP 12 2.187 24.251 1.416 73 HB3 TRP 12 2HB TRP 12 2.669 25.822 2.083 74 HD1 TRP 12 HD1 TRP 12 3.266 23.569 -0.880 75 HE1 TRP 12 HE1 TRP 12 4.776 24.669 -2.581 76 HE3 TRP 12 HE3 TRP 12 4.670 27.560 1.962 77 HZ2 TRP 12 HZ2 TRP 12 6.440 26.995 -2.697 78 HZ3 TRP 12 HZ3 TRP 12 6.248 29.224 0.990 79 HH2 TRP 12 HH2 TRP 12 7.147 28.920 -1.319 80 H PHE 13 H PHE 13 2.581 23.076 4.501 81 HA PHE 13 HA PHE 13 2.766 25.453 6.277 82 HB2 PHE 13 1HB PHE 13 0.472 23.494 6.102 83 HB3 PHE 13 2HB PHE 13 0.499 25.064 6.917 84 HD1 PHE 13 HD1 PHE 13 0.596 27.158 5.528 85 HD2 PHE 13 HD2 PHE 13 -0.064 23.281 3.807 86 HE1 PHE 13 HE1 PHE 13 -0.142 28.228 3.415 87 HE2 PHE 13 HE2 PHE 13 -0.833 24.341 1.704 88 HZ PHE 13 HZ PHE 13 -0.823 26.806 1.489 89 H THR 14 H THR 14 2.431 25.036 8.556 90 HA THR 14 HA THR 14 4.017 22.786 9.455 91 HB THR 14 HB THR 14 3.391 23.521 11.719 92 HG1 THR 14 HG1 THR 14 1.947 25.168 12.022 93 HG21 THR 14 1HG2 THR 14 4.359 25.774 11.672 94 HG22 THR 14 2HG2 THR 14 4.106 25.864 9.918 95 HG23 THR 14 3HG2 THR 14 5.250 24.681 10.590 96 H ALA 15 H ALA 15 3.163 21.224 11.063 97 HA ALA 15 HA ALA 15 0.842 19.957 9.852 98 HB1 ALA 15 1HB ALA 15 2.936 18.759 10.451 99 HB2 ALA 15 2HB ALA 15 1.479 18.057 11.184 100 HB3 ALA 15 3HB ALA 15 2.576 19.060 12.168 101 H LEU 16 H LEU 16 -1.101 19.482 10.790 102 HA LEU 16 HA LEU 16 -1.896 20.993 13.185 103 HB2 LEU 16 1HB LEU 16 -3.254 18.780 11.599 104 HB3 LEU 16 2HB LEU 16 -3.961 19.564 12.999 105 HG LEU 16 HG LEU 16 -3.320 20.921 10.377 106 HD11 LEU 16 1HD1 LEU 16 -5.774 20.996 10.118 107 HD12 LEU 16 2HD1 LEU 16 -5.968 20.094 11.639 108 HD13 LEU 16 3HD1 LEU 16 -5.196 19.323 10.234 109 HD21 LEU 16 1HD2 LEU 16 -4.726 22.767 11.399 110 HD22 LEU 16 2HD2 LEU 16 -3.126 22.545 12.129 111 HD23 LEU 16 3HD2 LEU 16 -4.579 21.926 12.956 112 H THR 17 H THR 17 -2.319 20.026 15.199 113 HA THR 17 HA THR 17 -1.216 17.262 15.581 114 HB THR 17 HB THR 17 -0.914 19.637 17.478 115 HG1 THR 17 HG1 THR 17 0.365 19.882 15.592 116 HG21 THR 17 1HG2 THR 17 0.802 18.121 18.514 117 HG22 THR 17 2HG2 THR 17 0.233 16.818 17.443 118 HG23 THR 17 3HG2 THR 17 -0.867 17.530 18.653 119 H GLN 18 H GLN 18 -2.429 16.085 17.216 120 HA GLN 18 HA GLN 18 -4.841 17.526 18.180 121 HB2 GLN 18 1HB GLN 18 -6.304 15.798 17.460 122 HB3 GLN 18 2HB GLN 18 -5.365 16.338 16.074 123 HG2 GLN 18 1HG GLN 18 -4.157 14.342 15.918 124 HG3 GLN 18 2HG GLN 18 -4.438 13.910 17.604 125 HE21 GLN 18 1HE2 GLN 18 -6.671 12.120 14.970 126 HE22 GLN 18 2HE2 GLN 18 -5.033 12.731 14.778 127 H HIS 19 H HIS 19 -6.073 16.494 19.779 128 HA HIS 19 HA HIS 19 -4.541 14.689 21.582 129 HB2 HIS 19 1HB HIS 19 -5.789 16.542 22.626 130 HB3 HIS 19 2HB HIS 19 -7.248 16.091 21.733 131 HD1 HIS 19 HD1 HIS 19 -5.204 15.061 24.747 132 HD2 HIS 19 HD2 HIS 19 -8.655 13.919 22.716 133 HE1 HIS 19 HE1 HIS 19 -6.438 13.438 26.248 134 H GLY 20 H GLY 20 -4.488 12.797 20.520 135 HA2 GLY 20 1HA GLY 20 -5.937 11.849 18.461 136 HA3 GLY 20 2HA GLY 20 -5.224 10.797 19.654 137 H LYS 21 H LYS 21 -8.063 11.943 18.207 138 HA LYS 21 HA LYS 21 -9.637 9.955 19.759 139 HB2 LYS 21 1HB LYS 21 -10.199 12.904 19.503 140 HB3 LYS 21 2HB LYS 21 -11.535 11.752 19.554 141 HG2 LYS 21 1HG LYS 21 -10.635 10.836 21.679 142 HG3 LYS 21 2HG LYS 21 -9.395 12.104 21.664 143 HD2 LYS 21 1HD LYS 21 -11.134 13.826 21.723 144 HD3 LYS 21 2HD LYS 21 -12.393 12.567 21.668 145 HE2 LYS 21 1HE LYS 21 -11.515 11.616 23.785 146 HE3 LYS 21 2HE LYS 21 -10.310 12.915 23.858 147 HZ1 LYS 21 1HZ LYS 21 -12.131 14.504 23.955 148 HZ2 LYS 21 2HZ LYS 21 -12.233 13.428 25.201 149 HZ3 LYS 21 3HZ LYS 21 -13.244 13.287 23.906 150 H GLU 22 H GLU 22 -9.616 12.225 16.969 151 HA GLU 22 HA GLU 22 -11.254 10.239 15.486 152 HB2 GLU 22 1HB GLU 22 -12.080 12.161 14.237 153 HB3 GLU 22 2HB GLU 22 -12.501 12.298 15.930 154 HG2 GLU 22 1HG GLU 22 -10.688 13.936 16.248 155 HG3 GLU 22 2HG GLU 22 -10.210 13.739 14.553 156 H ASP 23 H ASP 23 -10.861 10.513 13.060 157 HA ASP 23 HA ASP 23 -7.931 10.855 12.632 158 HB2 ASP 23 1HB ASP 23 -9.558 8.743 12.095 159 HB3 ASP 23 2HB ASP 23 -9.438 9.521 10.519 160 H LEU 24 H LEU 24 -9.774 12.832 12.844 161 HA LEU 24 HA LEU 24 -10.195 14.926 12.082 162 HB2 LEU 24 1HB LEU 24 -7.810 14.797 11.458 163 HB3 LEU 24 2HB LEU 24 -8.256 14.208 9.872 164 HG LEU 24 HG LEU 24 -9.263 16.343 9.296 165 HD11 LEU 24 1HD1 LEU 24 -10.087 17.141 11.439 166 HD12 LEU 24 2HD1 LEU 24 -8.967 18.325 10.757 167 HD13 LEU 24 3HD1 LEU 24 -8.436 17.257 12.071 168 HD21 LEU 24 1HD2 LEU 24 -7.187 17.650 9.218 169 HD22 LEU 24 2HD2 LEU 24 -6.854 15.931 8.920 170 HD23 LEU 24 3HD2 LEU 24 -6.486 16.642 10.507 171 H LYS 25 H LYS 25 -11.736 16.027 10.945 172 HA LYS 25 HA LYS 25 -12.302 15.146 8.225 173 HB2 LYS 25 1HB LYS 25 -13.759 13.730 9.833 174 HB3 LYS 25 2HB LYS 25 -14.638 15.227 10.156 175 HG2 LYS 25 1HG LYS 25 -15.843 13.990 8.469 176 HG3 LYS 25 2HG LYS 25 -15.110 15.394 7.674 177 HD2 LYS 25 1HD LYS 25 -13.226 13.928 6.900 178 HD3 LYS 25 2HD LYS 25 -14.028 12.541 7.655 179 HE2 LYS 25 1HE LYS 25 -15.976 12.870 6.173 180 HE3 LYS 25 2HE LYS 25 -15.174 14.278 5.434 181 HZ1 LYS 25 1HZ LYS 25 -14.834 12.263 4.127 182 HZ2 LYS 25 2HZ LYS 25 -14.121 11.503 5.408 183 HZ3 LYS 25 3HZ LYS 25 -13.391 12.809 4.715 184 H PHE 26 H PHE 26 -12.995 16.755 6.958 185 HA PHE 26 HA PHE 26 -13.841 19.285 8.299 186 HB2 PHE 26 1HB PHE 26 -12.048 18.866 5.884 187 HB3 PHE 26 2HB PHE 26 -12.851 20.401 6.225 188 HD1 PHE 26 HD1 PHE 26 -12.599 20.809 9.079 189 HD2 PHE 26 HD2 PHE 26 -9.717 19.144 6.327 190 HE1 PHE 26 HE1 PHE 26 -10.757 21.496 10.584 191 HE2 PHE 26 HE2 PHE 26 -7.888 19.798 7.866 192 HZ PHE 26 HZ PHE 26 -8.393 20.976 9.988 193 HA PRO 27 HA PRO 27 -17.421 18.720 5.791 194 HB2 PRO 27 1HB PRO 27 -18.322 21.310 5.500 195 HB3 PRO 27 2HB PRO 27 -18.436 20.400 7.036 196 HG2 PRO 27 1HG PRO 27 -16.455 22.414 6.194 197 HG3 PRO 27 2HG PRO 27 -17.303 22.237 7.739 198 HD2 PRO 27 1HD PRO 27 -14.746 21.414 7.332 199 HD3 PRO 27 2HD PRO 27 -15.868 20.583 8.466 200 H ARG 28 H ARG 28 -18.327 19.099 3.648 201 HA ARG 28 HA ARG 28 -16.293 19.234 1.616 202 HB2 ARG 28 1HB ARG 28 -18.457 17.919 1.509 203 HB3 ARG 28 2HB ARG 28 -19.322 19.447 1.335 204 HG2 ARG 28 1HG ARG 28 -19.159 18.564 -0.846 205 HG3 ARG 28 2HG ARG 28 -17.944 19.849 -0.785 206 HD2 ARG 28 1HD ARG 28 -16.177 18.157 -0.383 207 HD3 ARG 28 2HD ARG 28 -17.394 16.870 -0.423 208 HE ARG 28 HE ARG 28 -16.276 18.354 -2.698 209 HH11 ARG 28 1HH1 ARG 28 -18.867 16.177 -1.661 210 HH12 ARG 28 2HH1 ARG 28 -19.191 15.648 -3.289 211 HH21 ARG 28 1HH2 ARG 28 -16.774 17.646 -4.742 212 HH22 ARG 28 2HH2 ARG 28 -18.028 16.463 -4.996 213 H GLY 29 H GLY 29 -15.639 20.916 0.317 214 HA2 GLY 29 1HA GLY 29 -15.758 23.009 -0.725 215 HA3 GLY 29 2HA GLY 29 -17.240 23.373 0.180 216 H GLN 30 H GLN 30 -14.895 22.088 2.215 217 HA GLN 30 HA GLN 30 -13.718 24.695 2.983 218 HB2 GLN 30 1HB GLN 30 -15.813 23.116 4.385 219 HB3 GLN 30 2HB GLN 30 -14.497 23.703 5.393 220 HG2 GLN 30 1HG GLN 30 -14.980 25.999 4.677 221 HG3 GLN 30 2HG GLN 30 -16.324 25.394 3.687 222 HE21 GLN 30 1HE2 GLN 30 -16.654 25.567 7.756 223 HE22 GLN 30 2HE2 GLN 30 -15.089 25.751 6.974 224 H GLY 31 H GLY 31 -12.218 24.288 4.900 225 HA2 GLY 31 1HA GLY 31 -11.007 22.726 6.254 226 HA3 GLY 31 2HA GLY 31 -11.242 21.483 5.023 227 H VAL 32 H VAL 32 -10.536 23.641 2.956 228 HA VAL 32 HA VAL 32 -7.740 22.985 2.777 229 HB VAL 32 HB VAL 32 -9.311 25.234 1.398 230 HG11 VAL 32 1HG1 VAL 32 -7.518 25.026 -0.328 231 HG12 VAL 32 2HG1 VAL 32 -6.649 23.917 0.737 232 HG13 VAL 32 3HG1 VAL 32 -6.923 25.608 1.220 233 HG21 VAL 32 1HG2 VAL 32 -10.328 23.040 0.919 234 HG22 VAL 32 2HG2 VAL 32 -8.735 22.397 0.442 235 HG23 VAL 32 3HG2 VAL 32 -9.502 23.679 -0.516 236 HA PRO 33 HA PRO 33 -6.559 26.180 5.667 237 HB2 PRO 33 1HB PRO 33 -3.848 25.962 5.427 238 HB3 PRO 33 2HB PRO 33 -4.848 24.740 6.272 239 HG2 PRO 33 1HG PRO 33 -3.763 24.695 3.509 240 HG3 PRO 33 2HG PRO 33 -3.764 23.416 4.739 241 HD2 PRO 33 1HD PRO 33 -5.554 23.462 2.751 242 HD3 PRO 33 2HD PRO 33 -5.937 22.830 4.380 243 H ILE 34 H ILE 34 -5.130 28.204 5.592 244 HA ILE 34 HA ILE 34 -5.792 29.617 3.155 245 HB ILE 34 HB ILE 34 -4.050 30.446 5.507 246 HG12 ILE 34 1HG1 ILE 34 -6.904 31.150 4.748 247 HG13 ILE 34 2HG1 ILE 34 -6.442 29.990 5.994 248 HG21 ILE 34 1HG2 ILE 34 -5.216 32.179 3.269 249 HG22 ILE 34 2HG2 ILE 34 -3.511 31.691 3.374 250 HG23 ILE 34 3HG2 ILE 34 -4.199 32.730 4.626 251 HD11 ILE 34 1HD1 ILE 34 -5.982 32.961 6.000 252 HD12 ILE 34 2HD1 ILE 34 -5.236 31.841 7.164 253 HD13 ILE 34 3HD1 ILE 34 -6.998 32.000 7.090 254 H ASN 35 H ASN 35 -4.848 29.157 1.376 255 HA ASN 35 HA ASN 35 -1.987 28.390 1.376 256 HB2 ASN 35 1HB ASN 35 -4.101 28.175 -0.786 257 HB3 ASN 35 2HB ASN 35 -2.419 27.682 -0.971 258 HD21 ASN 35 1HD2 ASN 35 -4.447 24.696 -0.188 259 HD22 ASN 35 2HD2 ASN 35 -4.464 25.926 -1.427 260 H THR 36 H THR 36 -1.169 30.476 1.732 261 HA THR 36 HA THR 36 -1.737 32.727 0.042 262 HB THR 36 HB THR 36 0.348 33.643 1.043 263 HG1 THR 36 HG1 THR 36 1.623 32.313 2.302 264 HG21 THR 36 1HG2 THR 36 -0.319 33.556 3.360 265 HG22 THR 36 2HG2 THR 36 -1.187 32.025 3.109 266 HG23 THR 36 3HG2 THR 36 -1.800 33.532 2.380 267 H ASN 37 H ASN 37 0.029 29.906 -0.488 268 HA ASN 37 HA ASN 37 1.752 31.140 -2.586 269 HB2 ASN 37 1HB ASN 37 3.129 29.099 -2.335 270 HB3 ASN 37 2HB ASN 37 2.935 29.945 -0.795 271 HD21 ASN 37 1HD2 ASN 37 1.335 27.322 0.834 272 HD22 ASN 37 2HD2 ASN 37 1.916 28.973 0.888 273 H SER 38 H SER 38 -1.222 30.241 -2.835 274 HA SER 38 HA SER 38 -0.732 28.550 -5.236 275 HB2 SER 38 1HB SER 38 -2.861 27.889 -3.188 276 HB3 SER 38 2HB SER 38 -2.358 26.926 -4.578 277 HG SER 38 HG SER 38 -0.179 27.246 -3.267 278 H SER 39 H SER 39 -2.346 28.594 -6.836 279 HA SER 39 HA SER 39 -3.986 31.027 -6.895 280 HB2 SER 39 1HB SER 39 -3.764 28.628 -8.772 281 HB3 SER 39 2HB SER 39 -4.582 30.156 -9.152 282 HG SER 39 HG SER 39 -2.617 31.211 -9.041 283 HA PRO 40 HA PRO 40 -7.626 29.200 -5.358 284 HB2 PRO 40 1HB PRO 40 -9.696 29.718 -7.078 285 HB3 PRO 40 2HB PRO 40 -8.936 30.967 -6.036 286 HG2 PRO 40 1HG PRO 40 -8.347 30.334 -8.914 287 HG3 PRO 40 2HG PRO 40 -8.747 31.914 -8.164 288 HD2 PRO 40 1HD PRO 40 -6.197 31.236 -8.609 289 HD3 PRO 40 2HD PRO 40 -6.655 32.049 -7.073 290 H ASP 41 H ASP 41 -6.877 28.444 -8.715 291 HA ASP 41 HA ASP 41 -8.411 26.108 -9.108 292 HB2 ASP 41 1HB ASP 41 -5.594 26.808 -10.071 293 HB3 ASP 41 2HB ASP 41 -6.603 25.518 -10.740 294 H ASP 42 H ASP 42 -5.430 26.719 -7.354 295 HA ASP 42 HA ASP 42 -4.648 23.900 -7.223 296 HB2 ASP 42 1HB ASP 42 -3.485 26.463 -6.144 297 HB3 ASP 42 2HB ASP 42 -2.749 24.880 -5.888 298 H GLN 43 H GLN 43 -6.729 25.777 -5.334 299 HA GLN 43 HA GLN 43 -5.857 25.238 -2.701 300 HB2 GLN 43 1HB GLN 43 -8.672 25.521 -3.793 301 HB3 GLN 43 2HB GLN 43 -8.237 25.632 -2.093 302 HG2 GLN 43 1HG GLN 43 -7.355 27.480 -4.299 303 HG3 GLN 43 2HG GLN 43 -8.512 27.854 -3.026 304 HE21 GLN 43 1HE2 GLN 43 -4.671 28.659 -2.534 305 HE22 GLN 43 2HE2 GLN 43 -5.467 28.363 -4.062 306 H ILE 44 H ILE 44 -7.519 23.107 -4.914 307 HA ILE 44 HA ILE 44 -8.621 21.285 -3.051 308 HB ILE 44 HB ILE 44 -9.219 21.381 -5.421 309 HG12 ILE 44 1HG1 ILE 44 -8.150 18.619 -4.977 310 HG13 ILE 44 2HG1 ILE 44 -9.415 19.282 -3.939 311 HG21 ILE 44 1HG2 ILE 44 -7.152 21.855 -6.522 312 HG22 ILE 44 2HG2 ILE 44 -7.689 20.280 -7.113 313 HG23 ILE 44 3HG2 ILE 44 -6.402 20.366 -5.920 314 HD11 ILE 44 1HD1 ILE 44 -10.309 17.943 -5.863 315 HD12 ILE 44 2HD1 ILE 44 -9.634 19.143 -6.974 316 HD13 ILE 44 3HD1 ILE 44 -10.905 19.613 -5.825 317 H GLY 45 H GLY 45 -7.919 19.531 -1.960 318 HA2 GLY 45 1HA GLY 45 -5.455 18.193 -2.455 319 HA3 GLY 45 2HA GLY 45 -5.182 19.453 -1.241 320 H TYR 46 H TYR 46 -4.649 17.742 0.229 321 HA TYR 46 HA TYR 46 -7.037 16.859 1.680 322 HB2 TYR 46 1HB TYR 46 -6.477 14.503 1.648 323 HB3 TYR 46 2HB TYR 46 -6.664 15.062 -0.010 324 HD1 TYR 46 HD1 TYR 46 -4.640 15.355 -1.464 325 HD2 TYR 46 HD2 TYR 46 -4.410 13.735 2.516 326 HE1 TYR 46 HE1 TYR 46 -2.372 14.453 -1.982 327 HE2 TYR 46 HE2 TYR 46 -2.142 12.793 1.959 328 HH TYR 46 HH TYR 46 -0.474 12.611 0.396 329 H TYR 47 H TYR 47 -6.295 15.662 3.738 330 HA TYR 47 HA TYR 47 -3.607 16.725 4.571 331 HB2 TYR 47 1HB TYR 47 -6.044 16.091 6.225 332 HB3 TYR 47 2HB TYR 47 -4.456 16.346 6.903 333 HD1 TYR 47 HD1 TYR 47 -3.910 18.434 7.731 334 HD2 TYR 47 HD2 TYR 47 -6.897 18.188 4.636 335 HE1 TYR 47 HE1 TYR 47 -4.385 20.863 7.975 336 HE2 TYR 47 HE2 TYR 47 -7.350 20.606 4.896 337 HH TYR 47 HH TYR 47 -6.951 22.496 6.123 338 H ARG 48 H ARG 48 -2.196 15.312 5.428 339 HA ARG 48 HA ARG 48 -2.894 12.417 5.157 340 HB2 ARG 48 1HB ARG 48 -1.210 13.498 3.578 341 HB3 ARG 48 2HB ARG 48 -0.164 13.751 4.966 342 HG2 ARG 48 1HG ARG 48 0.029 11.365 5.332 343 HG3 ARG 48 2HG ARG 48 -1.187 11.038 4.086 344 HD2 ARG 48 1HD ARG 48 0.306 12.140 2.409 345 HD3 ARG 48 2HD ARG 48 1.550 12.281 3.659 346 HE ARG 48 HE ARG 48 0.695 9.857 2.236 347 HH11 ARG 48 1HH1 ARG 48 2.506 11.078 5.011 348 HH12 ARG 48 2HH1 ARG 48 3.443 9.617 5.155 349 HH21 ARG 48 1HH2 ARG 48 1.927 8.029 2.487 350 HH22 ARG 48 2HH2 ARG 48 3.105 7.917 3.764 351 H ARG 49 H ARG 49 -2.894 11.264 6.926 352 HA ARG 49 HA ARG 49 -2.083 12.183 9.520 353 HB2 ARG 49 1HB ARG 49 -3.693 10.324 8.815 354 HB3 ARG 49 2HB ARG 49 -2.281 9.330 8.482 355 HG2 ARG 49 1HG ARG 49 -1.653 9.564 10.914 356 HG3 ARG 49 2HG ARG 49 -3.219 10.386 11.156 357 HD2 ARG 49 1HD ARG 49 -4.017 8.237 9.701 358 HD3 ARG 49 2HD ARG 49 -2.638 7.513 10.538 359 HE ARG 49 HE ARG 49 -5.215 8.426 11.657 360 HH11 ARG 49 1HH1 ARG 49 -1.962 7.257 12.449 361 HH12 ARG 49 2HH1 ARG 49 -2.433 6.812 14.068 362 HH21 ARG 49 1HH2 ARG 49 -5.722 7.862 13.660 363 HH22 ARG 49 2HH2 ARG 49 -4.547 7.148 14.755 364 H ALA 50 H ALA 50 -0.120 12.005 10.605 365 HA ALA 50 HA ALA 50 1.981 10.292 9.431 366 HB1 ALA 50 1HB ALA 50 2.222 12.470 8.263 367 HB2 ALA 50 2HB ALA 50 3.611 12.143 9.328 368 HB3 ALA 50 3HB ALA 50 2.349 13.290 9.836 369 H THR 51 H THR 51 3.411 9.517 10.845 370 HA THR 51 HA THR 51 3.626 10.729 13.564 371 HB THR 51 HB THR 51 3.970 8.312 14.376 372 HG1 THR 51 HG1 THR 51 2.920 6.735 13.020 373 HG21 THR 51 1HG2 THR 51 1.591 7.837 14.627 374 HG22 THR 51 2HG2 THR 51 1.201 8.987 13.326 375 HG23 THR 51 3HG2 THR 51 1.905 9.571 14.855 376 H ARG 52 H ARG 52 5.810 10.729 14.254 377 HA ARG 52 HA ARG 52 7.778 9.189 12.749 378 HB2 ARG 52 1HB ARG 52 7.359 11.111 11.208 379 HB3 ARG 52 2HB ARG 52 7.793 12.226 12.505 380 HG2 ARG 52 1HG ARG 52 9.709 12.045 11.089 381 HG3 ARG 52 2HG ARG 52 10.076 11.142 12.562 382 HD2 ARG 52 1HD ARG 52 9.206 9.064 11.237 383 HD3 ARG 52 2HD ARG 52 9.442 10.073 9.804 384 HE ARG 52 HE ARG 52 11.491 8.898 11.560 385 HH11 ARG 52 1HH1 ARG 52 10.921 11.297 9.020 386 HH12 ARG 52 2HH1 ARG 52 12.600 11.329 8.555 387 HH21 ARG 52 1HH2 ARG 52 13.597 8.988 10.897 388 HH22 ARG 52 2HH2 ARG 52 14.086 10.044 9.598 389 H ARG 53 H ARG 53 9.376 8.641 14.050 390 HA ARG 53 HA ARG 53 10.143 10.527 16.244 391 HB2 ARG 53 1HB ARG 53 9.130 8.325 16.972 392 HB3 ARG 53 2HB ARG 53 10.472 7.497 16.181 393 HG2 ARG 53 1HG ARG 53 11.721 7.743 18.026 394 HG3 ARG 53 2HG ARG 53 11.540 9.502 17.938 395 HD2 ARG 53 1HD ARG 53 10.710 8.874 20.067 396 HD3 ARG 53 2HD ARG 53 9.294 9.241 19.067 397 HE ARG 53 HE ARG 53 9.760 6.474 18.831 398 HH11 ARG 53 1HH1 ARG 53 8.886 8.671 21.479 399 HH12 ARG 53 2HH1 ARG 53 8.000 7.439 22.310 400 HH21 ARG 53 1HH2 ARG 53 8.620 4.956 20.013 401 HH22 ARG 53 2HH2 ARG 53 7.870 5.400 21.521 402 H ILE 54 H ILE 54 12.275 10.963 16.438 403 HA ILE 54 HA ILE 54 14.109 9.850 14.398 404 HB ILE 54 HB ILE 54 14.773 11.943 13.571 405 HG12 ILE 54 1HG1 ILE 54 15.138 13.188 15.607 406 HG13 ILE 54 2HG1 ILE 54 14.226 14.138 14.464 407 HG21 ILE 54 1HG2 ILE 54 11.793 12.407 13.983 408 HG22 ILE 54 2HG2 ILE 54 12.513 11.351 12.743 409 HG23 ILE 54 3HG2 ILE 54 12.822 13.099 12.707 410 HD11 ILE 54 1HD1 ILE 54 13.461 14.498 16.718 411 HD12 ILE 54 2HD1 ILE 54 13.090 12.776 16.891 412 HD13 ILE 54 3HD1 ILE 54 12.186 13.773 15.720 413 H ARG 55 H ARG 55 16.384 10.855 14.957 414 HA ARG 55 HA ARG 55 16.697 11.298 17.898 415 HB2 ARG 55 1HB ARG 55 17.832 9.121 16.265 416 HB3 ARG 55 2HB ARG 55 19.091 10.161 16.933 417 HG2 ARG 55 1HG ARG 55 18.905 8.598 18.606 418 HG3 ARG 55 2HG ARG 55 17.812 9.859 19.193 419 HD2 ARG 55 1HD ARG 55 16.658 7.797 19.488 420 HD3 ARG 55 2HD ARG 55 15.915 8.574 18.084 421 HE ARG 55 HE ARG 55 16.813 6.924 16.680 422 HH11 ARG 55 1HH1 ARG 55 18.054 6.436 19.955 423 HH12 ARG 55 2HH1 ARG 55 18.639 4.836 19.588 424 HH21 ARG 55 1HH2 ARG 55 17.599 4.876 16.294 425 HH22 ARG 55 2HH2 ARG 55 18.384 3.976 17.561 426 H GLY 56 H GLY 56 17.420 13.379 18.012 427 HA2 GLY 56 1HA GLY 56 18.745 14.579 15.671 428 HA3 GLY 56 2HA GLY 56 18.372 15.375 17.223 429 H GLY 57 H GLY 57 20.948 15.648 16.001 430 HA2 GLY 57 1HA GLY 57 22.807 13.711 16.972 431 HA3 GLY 57 2HA GLY 57 23.189 15.383 16.514 432 H ASP 58 H ASP 58 21.335 16.550 18.418 433 HA ASP 58 HA ASP 58 22.997 16.348 20.842 434 HB2 ASP 58 1HB ASP 58 22.295 18.520 19.678 435 HB3 ASP 58 2HB ASP 58 20.687 18.224 20.332 436 H GLY 59 H GLY 59 20.827 14.361 19.833 437 HA2 GLY 59 1HA GLY 59 19.832 12.707 21.116 438 HA3 GLY 59 2HA GLY 59 19.984 13.719 22.550 439 H LYS 60 H LYS 60 18.504 15.722 20.456 440 HA LYS 60 HA LYS 60 16.033 15.562 21.823 441 HB2 LYS 60 1HB LYS 60 16.860 16.934 19.270 442 HB3 LYS 60 2HB LYS 60 15.209 17.046 19.909 443 HG2 LYS 60 1HG LYS 60 15.843 18.685 21.291 444 HG3 LYS 60 2HG LYS 60 16.972 17.567 22.081 445 HD2 LYS 60 1HD LYS 60 18.529 18.067 20.093 446 HD3 LYS 60 2HD LYS 60 17.486 19.479 19.812 447 HE2 LYS 60 1HE LYS 60 19.020 18.791 22.350 448 HE3 LYS 60 2HE LYS 60 19.447 20.039 21.182 449 HZ1 LYS 60 1HZ LYS 60 18.431 20.973 23.109 450 HZ2 LYS 60 2HZ LYS 60 17.060 20.076 22.911 451 HZ3 LYS 60 3HZ LYS 60 17.456 21.238 21.805 452 H MET 61 H MET 61 14.314 14.476 21.627 453 HA MET 61 HA MET 61 13.947 12.593 19.351 454 HB2 MET 61 1HB MET 61 12.551 12.823 22.053 455 HB3 MET 61 2HB MET 61 12.288 11.540 20.867 456 HG2 MET 61 1HG MET 61 14.895 12.100 22.333 457 HG3 MET 61 2HG MET 61 13.748 10.808 22.715 458 HE1 MET 61 1HE MET 61 13.412 8.688 21.393 459 HE2 MET 61 2HE MET 61 14.147 8.310 19.816 460 HE3 MET 61 3HE MET 61 12.897 9.567 19.929 461 H LYS 62 H LYS 62 11.298 12.292 19.173 462 HA LYS 62 HA LYS 62 10.164 15.043 18.815 463 HB2 LYS 62 1HB LYS 62 10.459 13.038 16.860 464 HB3 LYS 62 2HB LYS 62 8.733 13.183 17.232 465 HG2 LYS 62 1HG LYS 62 8.865 15.610 16.981 466 HG3 LYS 62 2HG LYS 62 10.594 15.472 16.582 467 HD2 LYS 62 1HD LYS 62 10.107 14.200 14.657 468 HD3 LYS 62 2HD LYS 62 8.394 14.104 15.095 469 HE2 LYS 62 1HE LYS 62 8.772 15.804 13.340 470 HE3 LYS 62 2HE LYS 62 8.139 16.514 14.836 471 HZ1 LYS 62 1HZ LYS 62 9.930 17.844 13.933 472 HZ2 LYS 62 2HZ LYS 62 10.981 16.574 13.993 473 HZ3 LYS 62 3HZ LYS 62 10.386 17.221 15.389 474 H ASP 63 H ASP 63 9.104 11.666 19.013 475 HA ASP 63 HA ASP 63 7.421 10.637 20.157 476 HB2 ASP 63 1HB ASP 63 9.059 11.853 21.942 477 HB3 ASP 63 2HB ASP 63 7.527 12.598 22.407 478 H LEU 64 H LEU 64 5.582 11.828 22.041 479 HA LEU 64 HA LEU 64 3.637 12.925 22.238 480 HB2 LEU 64 1HB LEU 64 5.309 14.761 20.728 481 HB3 LEU 64 2HB LEU 64 3.619 15.016 20.367 482 HG LEU 64 HG LEU 64 4.433 16.502 22.119 483 HD11 LEU 64 1HD1 LEU 64 2.681 16.160 23.786 484 HD12 LEU 64 2HD1 LEU 64 2.453 14.482 23.253 485 HD13 LEU 64 3HD1 LEU 64 2.052 15.831 22.160 486 HD21 LEU 64 1HD2 LEU 64 5.124 15.726 24.306 487 HD22 LEU 64 2HD2 LEU 64 6.158 14.974 23.074 488 HD23 LEU 64 3HD2 LEU 64 4.862 14.031 23.845 489 H SER 65 H SER 65 1.778 14.062 20.904 490 HA SER 65 HA SER 65 0.326 11.944 19.867 491 HB2 SER 65 1HB SER 65 -0.291 14.799 19.163 492 HB3 SER 65 2HB SER 65 -1.379 13.516 19.734 493 HG SER 65 HG SER 65 -0.965 15.006 21.387 494 HA PRO 66 HA PRO 66 1.021 11.768 15.517 495 HB2 PRO 66 1HB PRO 66 -1.466 11.233 14.499 496 HB3 PRO 66 2HB PRO 66 -0.530 10.021 15.430 497 HG2 PRO 66 1HG PRO 66 -2.668 11.896 16.407 498 HG3 PRO 66 2HG PRO 66 -2.554 10.115 16.603 499 HD2 PRO 66 1HD PRO 66 -1.742 11.752 18.557 500 HD3 PRO 66 2HD PRO 66 -0.777 10.291 18.147 501 H ARG 67 H ARG 67 0.686 12.914 13.534 502 HA ARG 67 HA ARG 67 -0.687 15.554 13.895 503 HB2 ARG 67 1HB ARG 67 2.112 14.863 12.998 504 HB3 ARG 67 2HB ARG 67 1.347 16.380 12.516 505 HG2 ARG 67 1HG ARG 67 1.355 17.246 14.630 506 HG3 ARG 67 2HG ARG 67 1.313 15.659 15.412 507 HD2 ARG 67 1HD ARG 67 3.625 15.250 14.782 508 HD3 ARG 67 2HD ARG 67 3.696 16.817 13.960 509 HE ARG 67 HE ARG 67 3.677 16.305 16.871 510 HH11 ARG 67 1HH1 ARG 67 3.488 18.778 14.344 511 HH12 ARG 67 2HH1 ARG 67 3.982 20.049 15.450 512 HH21 ARG 67 1HH2 ARG 67 4.249 18.033 18.194 513 HH22 ARG 67 2HH2 ARG 67 4.378 19.650 17.521 514 H TRP 68 H TRP 68 -1.058 16.707 11.876 515 HA TRP 68 HA TRP 68 -1.403 14.856 9.542 516 HB2 TRP 68 1HB TRP 68 -3.330 16.903 10.671 517 HB3 TRP 68 2HB TRP 68 -3.482 16.214 9.050 518 HD1 TRP 68 HD1 TRP 68 -3.465 15.034 12.746 519 HE1 TRP 68 HE1 TRP 68 -4.832 12.900 12.960 520 HE3 TRP 68 HE3 TRP 68 -4.530 14.355 7.791 521 HZ2 TRP 68 HZ2 TRP 68 -6.158 11.099 11.227 522 HZ3 TRP 68 HZ3 TRP 68 -5.929 12.397 7.128 523 HH2 TRP 68 HH2 TRP 68 -6.746 10.793 8.869 524 H TYR 69 H TYR 69 -0.582 15.603 7.692 525 HA TYR 69 HA TYR 69 0.390 18.457 7.650 526 HB2 TYR 69 1HB TYR 69 1.378 15.908 6.311 527 HB3 TYR 69 2HB TYR 69 1.934 17.517 5.862 528 HD1 TYR 69 HD1 TYR 69 3.879 18.369 6.866 529 HD2 TYR 69 HD2 TYR 69 1.642 15.337 8.963 530 HE1 TYR 69 HE1 TYR 69 5.654 18.254 8.620 531 HE2 TYR 69 HE2 TYR 69 3.419 15.234 10.698 532 HH TYR 69 HH TYR 69 5.409 16.018 11.411 533 H PHE 70 H PHE 70 -0.024 19.621 5.633 534 HA PHE 70 HA PHE 70 -2.376 18.528 4.192 535 HB2 PHE 70 1HB PHE 70 -2.673 20.757 5.140 536 HB3 PHE 70 2HB PHE 70 -1.211 21.328 4.324 537 HD1 PHE 70 HD1 PHE 70 -1.334 22.246 2.150 538 HD2 PHE 70 HD2 PHE 70 -4.603 19.877 3.625 539 HE1 PHE 70 HE1 PHE 70 -2.671 22.854 0.142 540 HE2 PHE 70 HE2 PHE 70 -5.940 20.463 1.606 541 HZ PHE 70 HZ PHE 70 -4.976 21.950 -0.145 542 H TYR 71 H TYR 71 -2.383 18.179 2.043 543 HA TYR 71 HA TYR 71 0.056 18.839 0.491 544 HB2 TYR 71 1HB TYR 71 -0.877 16.180 1.377 545 HB3 TYR 71 2HB TYR 71 -0.443 16.298 -0.349 546 HD1 TYR 71 HD1 TYR 71 1.904 17.207 -0.934 547 HD2 TYR 71 HD2 TYR 71 0.781 16.051 3.054 548 HE1 TYR 71 HE1 TYR 71 4.312 17.113 -0.283 549 HE2 TYR 71 HE2 TYR 71 3.182 15.950 3.692 550 HH TYR 71 HH TYR 71 5.354 16.116 2.972 551 H TYR 72 H TYR 72 -0.328 18.762 -1.773 552 HA TYR 72 HA TYR 72 -3.062 19.629 -2.374 553 HB2 TYR 72 1HB TYR 72 -0.535 19.660 -4.059 554 HB3 TYR 72 2HB TYR 72 -2.062 20.464 -4.444 555 HD1 TYR 72 HD1 TYR 72 0.866 20.481 -2.118 556 HD2 TYR 72 HD2 TYR 72 -2.679 22.567 -3.400 557 HE1 TYR 72 HE1 TYR 72 1.550 22.474 -0.792 558 HE2 TYR 72 HE2 TYR 72 -1.956 24.569 -2.102 559 HH TYR 72 HH TYR 72 -0.242 25.526 -0.891 560 H LEU 73 H LEU 73 -4.154 18.935 -4.376 561 HA LEU 73 HA LEU 73 -4.510 16.147 -4.482 562 HB2 LEU 73 1HB LEU 73 -5.760 18.284 -5.552 563 HB3 LEU 73 2HB LEU 73 -4.906 17.743 -6.978 564 HG LEU 73 HG LEU 73 -7.148 16.401 -5.480 565 HD11 LEU 73 1HD1 LEU 73 -8.193 16.435 -7.660 566 HD12 LEU 73 2HD1 LEU 73 -6.678 16.948 -8.433 567 HD13 LEU 73 3HD1 LEU 73 -7.534 18.046 -7.335 568 HD21 LEU 73 1HD2 LEU 73 -6.926 14.457 -7.028 569 HD22 LEU 73 2HD2 LEU 73 -5.654 14.542 -5.809 570 HD23 LEU 73 3HD2 LEU 73 -5.315 15.044 -7.485 571 H GLY 74 H GLY 74 -3.449 14.483 -5.431 572 HA2 GLY 74 1HA GLY 74 -2.094 13.338 -6.884 573 HA3 GLY 74 2HA GLY 74 -2.093 14.761 -7.926 574 H THR 75 H THR 75 -0.853 14.792 -4.575 575 HA THR 75 HA THR 75 1.791 15.501 -5.688 576 HB THR 75 HB THR 75 2.314 15.646 -3.110 577 HG1 THR 75 HG1 THR 75 -0.503 16.044 -3.027 578 HG21 THR 75 1HG2 THR 75 1.206 17.915 -3.003 579 HG22 THR 75 2HG2 THR 75 0.479 17.559 -4.587 580 HG23 THR 75 3HG2 THR 75 2.251 17.640 -4.408 581 H GLY 76 H GLY 76 3.665 14.348 -5.313 582 HA2 GLY 76 1HA GLY 76 4.891 12.548 -4.341 583 HA3 GLY 76 2HA GLY 76 3.389 11.691 -3.966 584 HA PRO 77 HA PRO 77 5.245 10.835 -8.307 585 HB2 PRO 77 1HB PRO 77 6.936 8.705 -7.972 586 HB3 PRO 77 2HB PRO 77 7.440 10.403 -7.768 587 HG2 PRO 77 1HG PRO 77 6.631 8.451 -5.647 588 HG3 PRO 77 2HG PRO 77 8.092 9.483 -5.730 589 HD2 PRO 77 1HD PRO 77 5.920 10.221 -4.307 590 HD3 PRO 77 2HD PRO 77 6.893 11.427 -5.222 591 H GLU 78 H GLU 78 4.572 8.304 -5.909 592 HA GLU 78 HA GLU 78 3.137 6.744 -8.025 593 HB2 GLU 78 1HB GLU 78 3.691 4.747 -6.718 594 HB3 GLU 78 2HB GLU 78 5.144 5.626 -7.203 595 HG2 GLU 78 1HG GLU 78 5.353 6.588 -4.947 596 HG3 GLU 78 2HG GLU 78 3.866 5.772 -4.444 597 H ALA 79 H ALA 79 2.243 8.948 -6.065 598 HA ALA 79 HA ALA 79 0.711 7.703 -4.028 599 HB1 ALA 79 1HB ALA 79 1.221 10.091 -3.962 600 HB2 ALA 79 2HB ALA 79 -0.540 9.869 -3.955 601 HB3 ALA 79 3HB ALA 79 0.289 10.373 -5.446 602 H GLY 80 H GLY 80 -0.147 8.697 -7.348 603 HA2 GLY 80 1HA GLY 80 -1.876 8.080 -8.720 604 HA3 GLY 80 2HA GLY 80 -1.888 6.561 -7.826 605 H LEU 81 H LEU 81 -2.661 9.554 -6.130 606 HA LEU 81 HA LEU 81 -5.344 8.442 -5.701 607 HB2 LEU 81 1HB LEU 81 -3.621 10.459 -4.274 608 HB3 LEU 81 2HB LEU 81 -5.312 10.257 -3.927 609 HG LEU 81 HG LEU 81 -3.251 8.104 -3.576 610 HD11 LEU 81 1HD1 LEU 81 -4.626 9.852 -1.505 611 HD12 LEU 81 2HD1 LEU 81 -2.942 10.028 -2.047 612 HD13 LEU 81 3HD1 LEU 81 -3.445 8.566 -1.185 613 HD21 LEU 81 1HD2 LEU 81 -4.947 6.845 -2.420 614 HD22 LEU 81 2HD2 LEU 81 -5.597 7.282 -4.004 615 HD23 LEU 81 3HD2 LEU 81 -6.108 8.180 -2.552 616 HA PRO 82 HA PRO 82 -7.034 11.991 -7.949 617 HB2 PRO 82 1HB PRO 82 -9.460 10.878 -8.456 618 HB3 PRO 82 2HB PRO 82 -8.007 10.396 -9.397 619 HG2 PRO 82 1HG PRO 82 -9.292 9.031 -7.044 620 HG3 PRO 82 2HG PRO 82 -8.738 8.327 -8.588 621 HD2 PRO 82 1HD PRO 82 -7.279 8.227 -6.326 622 HD3 PRO 82 2HD PRO 82 -6.556 8.281 -7.956 623 H TYR 83 H TYR 83 -9.065 13.300 -7.347 624 HA TYR 83 HA TYR 83 -9.195 13.640 -4.520 625 HB2 TYR 83 1HB TYR 83 -9.698 15.401 -6.190 626 HB3 TYR 83 2HB TYR 83 -11.167 14.530 -6.650 627 HD1 TYR 83 HD1 TYR 83 -13.170 14.633 -5.257 628 HD2 TYR 83 HD2 TYR 83 -9.498 16.431 -3.921 629 HE1 TYR 83 HE1 TYR 83 -14.401 15.820 -3.432 630 HE2 TYR 83 HE2 TYR 83 -10.731 17.612 -2.129 631 HH TYR 83 HH TYR 83 -12.734 17.938 -1.085 632 H GLY 84 H GLY 84 -10.427 12.731 -2.979 633 HA2 GLY 84 1HA GLY 84 -12.375 11.787 -2.089 634 HA3 GLY 84 2HA GLY 84 -12.966 11.438 -3.715 635 H ALA 85 H ALA 85 -9.861 10.279 -3.770 636 HA ALA 85 HA ALA 85 -10.715 7.561 -3.675 637 HB1 ALA 85 1HB ALA 85 -7.977 8.836 -3.555 638 HB2 ALA 85 2HB ALA 85 -8.815 8.151 -4.961 639 HB3 ALA 85 3HB ALA 85 -8.254 7.077 -3.665 640 H ASN 86 H ASN 86 -10.886 6.100 -2.100 641 HA ASN 86 HA ASN 86 -10.641 6.992 0.658 642 HB2 ASN 86 1HB ASN 86 -12.457 5.477 -0.153 643 HB3 ASN 86 2HB ASN 86 -11.238 4.230 -0.464 644 HD21 ASN 86 1HD2 ASN 86 -11.697 2.988 2.734 645 HD22 ASN 86 2HD2 ASN 86 -11.590 2.698 1.015 646 H LYS 87 H LYS 87 -8.917 6.827 1.942 647 HA LYS 87 HA LYS 87 -7.139 4.505 1.765 648 HB2 LYS 87 1HB LYS 87 -6.220 6.058 0.058 649 HB3 LYS 87 2HB LYS 87 -6.105 7.317 1.272 650 HG2 LYS 87 1HG LYS 87 -4.360 6.195 2.451 651 HG3 LYS 87 2HG LYS 87 -4.675 4.667 1.581 652 HD2 LYS 87 1HD LYS 87 -4.151 6.347 -0.480 653 HD3 LYS 87 2HD LYS 87 -3.150 7.059 0.790 654 HE2 LYS 87 1HE LYS 87 -1.748 5.507 -0.319 655 HE3 LYS 87 2HE LYS 87 -2.233 4.703 1.189 656 HZ1 LYS 87 1HZ LYS 87 -3.928 3.503 -0.102 657 HZ2 LYS 87 2HZ LYS 87 -2.421 3.209 -0.706 658 HZ3 LYS 87 3HZ LYS 87 -3.436 4.241 -1.493 659 H ASP 88 H ASP 88 -5.862 4.338 3.677 660 HA ASP 88 HA ASP 88 -7.159 5.356 6.024 661 HB2 ASP 88 1HB ASP 88 -5.933 3.205 5.980 662 HB3 ASP 88 2HB ASP 88 -4.419 4.079 5.682 663 H GLY 89 H GLY 89 -6.765 7.113 7.246 664 HA2 GLY 89 1HA GLY 89 -5.751 9.016 8.012 665 HA3 GLY 89 2HA GLY 89 -4.228 8.395 7.372 666 H ILE 90 H ILE 90 -6.984 8.934 5.242 667 HA ILE 90 HA ILE 90 -5.664 11.420 4.237 668 HB ILE 90 HB ILE 90 -6.873 9.170 2.549 669 HG12 ILE 90 1HG1 ILE 90 -4.652 8.589 3.417 670 HG13 ILE 90 2HG1 ILE 90 -4.652 8.801 1.676 671 HG21 ILE 90 1HG2 ILE 90 -5.954 10.569 0.604 672 HG22 ILE 90 2HG2 ILE 90 -5.726 11.898 1.769 673 HG23 ILE 90 3HG2 ILE 90 -7.352 11.264 1.444 674 HD11 ILE 90 1HD1 ILE 90 -3.742 11.005 3.506 675 HD12 ILE 90 2HD1 ILE 90 -3.434 10.773 1.768 676 HD13 ILE 90 3HD1 ILE 90 -2.678 9.682 2.950 677 H ILE 91 H ILE 91 -6.957 13.091 4.178 678 HA ILE 91 HA ILE 91 -9.873 12.594 3.716 679 HB ILE 91 HB ILE 91 -10.363 14.576 5.182 680 HG12 ILE 91 1HG1 ILE 91 -7.971 14.221 6.841 681 HG13 ILE 91 2HG1 ILE 91 -7.573 14.836 5.257 682 HG21 ILE 91 1HG2 ILE 91 -10.484 13.292 7.168 683 HG22 ILE 91 2HG2 ILE 91 -9.117 12.260 6.702 684 HG23 ILE 91 3HG2 ILE 91 -10.663 12.144 5.832 685 HD11 ILE 91 1HD1 ILE 91 -8.015 16.652 6.867 686 HD12 ILE 91 2HD1 ILE 91 -9.684 16.071 7.048 687 HD13 ILE 91 3HD1 ILE 91 -9.109 16.687 5.473 688 H TRP 92 H TRP 92 -10.520 13.464 1.920 689 HA TRP 92 HA TRP 92 -8.914 15.484 0.597 690 HB2 TRP 92 1HB TRP 92 -11.520 14.116 -0.128 691 HB3 TRP 92 2HB TRP 92 -10.602 15.191 -1.191 692 HD1 TRP 92 HD1 TRP 92 -10.588 11.671 0.184 693 HE1 TRP 92 HE1 TRP 92 -8.734 10.289 -0.852 694 HE3 TRP 92 HE3 TRP 92 -8.202 15.477 -2.269 695 HZ2 TRP 92 HZ2 TRP 92 -6.444 10.785 -2.452 696 HZ3 TRP 92 HZ3 TRP 92 -6.139 14.944 -3.563 697 HH2 TRP 92 HH2 TRP 92 -5.267 12.608 -3.652 698 H VAL 93 H VAL 93 -9.244 17.577 0.296 699 HA VAL 93 HA VAL 93 -11.838 18.778 1.152 700 HB VAL 93 HB VAL 93 -10.533 20.692 2.166 701 HG11 VAL 93 1HG1 VAL 93 -10.082 19.583 4.288 702 HG12 VAL 93 2HG1 VAL 93 -10.073 17.993 3.493 703 HG13 VAL 93 3HG1 VAL 93 -11.574 18.951 3.564 704 HG21 VAL 93 1HG2 VAL 93 -8.170 18.761 2.114 705 HG22 VAL 93 2HG2 VAL 93 -8.209 20.389 2.821 706 HG23 VAL 93 3HG2 VAL 93 -8.328 20.186 1.063 707 H ALA 94 H ALA 94 -12.294 20.784 0.105 708 HA ALA 94 HA ALA 94 -10.539 21.807 -1.983 709 HB1 ALA 94 1HB ALA 94 -11.519 19.816 -3.162 710 HB2 ALA 94 2HB ALA 94 -12.113 21.341 -3.849 711 HB3 ALA 94 3HB ALA 94 -13.150 20.394 -2.756 712 H THR 95 H THR 95 -11.772 23.674 -3.020 713 HA THR 95 HA THR 95 -14.055 24.633 -1.382 714 HB THR 95 HB THR 95 -11.883 25.675 -0.511 715 HG1 THR 95 HG1 THR 95 -12.781 27.820 -0.663 716 HG21 THR 95 1HG2 THR 95 -10.777 25.819 -2.781 717 HG22 THR 95 2HG2 THR 95 -10.742 27.323 -1.842 718 HG23 THR 95 3HG2 THR 95 -11.898 27.140 -3.179 719 H GLU 96 H GLU 96 -14.772 26.808 -2.702 720 HA GLU 96 HA GLU 96 -15.570 25.809 -5.265 721 HB2 GLU 96 1HB GLU 96 -16.832 27.405 -3.796 722 HB3 GLU 96 2HB GLU 96 -15.667 28.663 -4.225 723 HG2 GLU 96 1HG GLU 96 -16.339 28.565 -6.548 724 HG3 GLU 96 2HG GLU 96 -17.345 27.139 -6.236 725 H GLY 97 H GLY 97 -14.779 26.129 -7.259 726 HA2 GLY 97 1HA GLY 97 -13.631 27.263 -8.968 727 HA3 GLY 97 2HA GLY 97 -12.769 28.223 -7.760 728 H ALA 98 H ALA 98 -12.340 25.395 -6.410 729 HA ALA 98 HA ALA 98 -9.674 25.105 -7.436 730 HB1 ALA 98 1HB ALA 98 -10.481 24.645 -5.097 731 HB2 ALA 98 2HB ALA 98 -9.464 23.384 -5.820 732 HB3 ALA 98 3HB ALA 98 -11.231 23.156 -5.724 733 H LEU 99 H LEU 99 -8.913 23.905 -9.090 734 HA LEU 99 HA LEU 99 -10.846 22.405 -10.705 735 HB2 LEU 99 1HB LEU 99 -7.876 22.916 -11.042 736 HB3 LEU 99 2HB LEU 99 -8.877 22.049 -12.192 737 HG LEU 99 HG LEU 99 -9.018 24.994 -11.523 738 HD11 LEU 99 1HD1 LEU 99 -8.353 25.171 -13.902 739 HD12 LEU 99 2HD1 LEU 99 -8.321 23.391 -14.026 740 HD13 LEU 99 3HD1 LEU 99 -7.171 24.247 -12.965 741 HD21 LEU 99 1HD2 LEU 99 -10.726 25.124 -13.338 742 HD22 LEU 99 2HD2 LEU 99 -11.313 24.267 -11.905 743 HD23 LEU 99 3HD2 LEU 99 -10.820 23.348 -13.352 744 H ASN 100 H ASN 100 -10.955 20.277 -11.067 745 HA ASN 100 HA ASN 100 -9.609 18.517 -9.146 746 HB2 ASN 100 1HB ASN 100 -12.020 18.259 -9.776 747 HB3 ASN 100 2HB ASN 100 -11.509 17.814 -11.412 748 HD21 ASN 100 1HD2 ASN 100 -11.547 14.488 -10.401 749 HD22 ASN 100 2HD2 ASN 100 -12.124 15.723 -11.492 750 H THR 101 H THR 101 -7.511 19.314 -10.199 751 HA THR 101 HA THR 101 -6.644 17.197 -12.093 752 HB THR 101 HB THR 101 -7.157 19.638 -13.155 753 HG1 THR 101 HG1 THR 101 -6.403 18.121 -14.483 754 HG21 THR 101 1HG2 THR 101 -5.155 20.999 -13.304 755 HG22 THR 101 2HG2 THR 101 -4.269 19.878 -12.242 756 HG23 THR 101 3HG2 THR 101 -5.644 20.833 -11.607 757 HA PRO 102 HA PRO 102 -3.463 17.108 -9.018 758 HB2 PRO 102 1HB PRO 102 -1.272 16.260 -10.380 759 HB3 PRO 102 2HB PRO 102 -2.679 15.184 -10.080 760 HG2 PRO 102 1HG PRO 102 -1.991 16.807 -12.515 761 HG3 PRO 102 2HG PRO 102 -2.445 15.075 -12.405 762 HD2 PRO 102 1HD PRO 102 -4.240 16.979 -13.046 763 HD3 PRO 102 2HD PRO 102 -4.694 15.576 -12.022 764 H LYS 103 H LYS 103 -1.618 18.158 -8.130 765 HA LYS 103 HA LYS 103 -0.122 20.016 -9.859 766 HB2 LYS 103 1HB LYS 103 -0.437 21.906 -8.207 767 HB3 LYS 103 2HB LYS 103 -1.722 21.588 -9.335 768 HG2 LYS 103 1HG LYS 103 -1.871 20.375 -6.568 769 HG3 LYS 103 2HG LYS 103 -2.186 22.095 -6.762 770 HD2 LYS 103 1HD LYS 103 -3.787 19.795 -7.913 771 HD3 LYS 103 2HD LYS 103 -4.298 21.014 -6.744 772 HE2 LYS 103 1HE LYS 103 -3.901 22.742 -8.596 773 HE3 LYS 103 2HE LYS 103 -3.764 21.377 -9.703 774 HZ1 LYS 103 1HZ LYS 103 -5.951 22.229 -9.733 775 HZ2 LYS 103 2HZ LYS 103 -6.117 22.102 -8.108 776 HZ3 LYS 103 3HZ LYS 103 -5.997 20.735 -9.030 777 H ASP 104 H ASP 104 1.063 17.899 -9.053 778 HA ASP 104 HA ASP 104 2.217 17.783 -6.481 779 HB2 ASP 104 1HB ASP 104 2.386 16.030 -8.258 780 HB3 ASP 104 2HB ASP 104 3.543 17.062 -9.108 781 H HIS 105 H HIS 105 2.924 19.905 -9.157 782 HA HIS 105 HA HIS 105 5.574 20.633 -8.534 783 HB2 HIS 105 1HB HIS 105 5.274 22.475 -9.992 784 HB3 HIS 105 2HB HIS 105 4.259 21.179 -10.633 785 HD1 HIS 105 HD1 HIS 105 4.120 24.620 -9.062 786 HD2 HIS 105 HD2 HIS 105 1.445 21.721 -10.490 787 HE1 HIS 105 HE1 HIS 105 1.830 25.739 -9.248 788 H ILE 106 H ILE 106 2.808 21.291 -6.623 789 HA ILE 106 HA ILE 106 4.068 23.709 -5.448 790 HB ILE 106 HB ILE 106 1.429 22.423 -4.629 791 HG12 ILE 106 1HG1 ILE 106 1.883 24.664 -6.635 792 HG13 ILE 106 2HG1 ILE 106 1.443 23.009 -7.064 793 HG21 ILE 106 1HG2 ILE 106 0.956 24.711 -3.741 794 HG22 ILE 106 2HG2 ILE 106 2.539 25.274 -4.318 795 HG23 ILE 106 3HG2 ILE 106 2.427 24.062 -3.025 796 HD11 ILE 106 1HD1 ILE 106 -0.613 23.304 -5.634 797 HD12 ILE 106 2HD1 ILE 106 -0.526 24.206 -7.159 798 HD13 ILE 106 3HD1 ILE 106 -0.221 25.044 -5.626 799 H GLY 107 H GLY 107 3.313 20.299 -4.705 800 HA2 GLY 107 1HA GLY 107 3.838 20.564 -1.881 801 HA3 GLY 107 2HA GLY 107 3.644 19.065 -2.787 802 H THR 108 H THR 108 6.097 21.139 -3.987 803 HA THR 108 HA THR 108 8.144 19.340 -2.807 804 HB THR 108 HB THR 108 7.913 19.192 -5.246 805 HG1 THR 108 HG1 THR 108 10.282 20.490 -4.343 806 HG21 THR 108 1HG2 THR 108 7.095 21.375 -5.833 807 HG22 THR 108 2HG2 THR 108 8.657 21.144 -6.638 808 HG23 THR 108 3HG2 THR 108 8.549 22.164 -5.186 809 H ARG 109 H ARG 109 7.056 21.777 -1.460 810 HA ARG 109 HA ARG 109 8.878 23.956 -1.599 811 HB2 ARG 109 1HB ARG 109 6.790 23.944 -0.183 812 HB3 ARG 109 2HB ARG 109 7.606 22.838 0.924 813 HG2 ARG 109 1HG ARG 109 9.398 24.605 1.256 814 HG3 ARG 109 2HG ARG 109 8.397 25.717 0.317 815 HD2 ARG 109 1HD ARG 109 8.108 26.047 2.733 816 HD3 ARG 109 2HD ARG 109 6.609 25.513 1.973 817 HE ARG 109 HE ARG 109 6.700 23.509 3.144 818 HH11 ARG 109 1HH1 ARG 109 9.752 25.248 3.730 819 HH12 ARG 109 2HH1 ARG 109 10.174 24.174 5.030 820 HH21 ARG 109 1HH2 ARG 109 7.307 22.263 4.791 821 HH22 ARG 109 2HH2 ARG 109 8.832 22.511 5.620 822 H ASN 110 H ASN 110 10.919 24.289 -0.892 823 HA ASN 110 HA ASN 110 12.320 21.889 0.184 824 HB2 ASN 110 1HB ASN 110 13.129 24.239 -1.508 825 HB3 ASN 110 2HB ASN 110 14.349 23.469 -0.491 826 HD21 ASN 110 1HD2 ASN 110 14.470 21.817 -3.782 827 HD22 ASN 110 2HD2 ASN 110 14.737 23.429 -3.164 828 HA PRO 111 HA PRO 111 12.145 24.255 3.913 829 HB2 PRO 111 1HB PRO 111 13.652 22.699 5.576 830 HB3 PRO 111 2HB PRO 111 12.004 22.231 5.041 831 HG2 PRO 111 1HG PRO 111 14.660 21.407 3.882 832 HG3 PRO 111 2HG PRO 111 13.291 20.372 4.405 833 HD2 PRO 111 1HD PRO 111 13.610 21.048 1.821 834 HD3 PRO 111 2HD PRO 111 11.971 20.994 2.557 835 H ALA 112 H ALA 112 15.121 23.456 2.275 836 HA ALA 112 HA ALA 112 16.828 25.107 3.942 837 HB1 ALA 112 1HB ALA 112 17.713 23.218 2.594 838 HB2 ALA 112 2HB ALA 112 18.472 24.758 2.129 839 HB3 ALA 112 3HB ALA 112 17.209 24.049 1.097 840 H ASN 113 H ASN 113 14.648 25.630 1.266 841 HA ASN 113 HA ASN 113 15.883 28.264 0.665 842 HB2 ASN 113 1HB ASN 113 13.742 26.665 -0.789 843 HB3 ASN 113 2HB ASN 113 14.390 28.224 -1.314 844 HD21 ASN 113 1HD2 ASN 113 16.119 25.303 -2.973 845 HD22 ASN 113 2HD2 ASN 113 14.429 25.637 -2.665 846 H ASN 114 H ASN 114 13.042 26.838 2.157 847 HA ASN 114 HA ASN 114 12.114 29.531 2.867 848 HB2 ASN 114 1HB ASN 114 10.996 29.276 0.759 849 HB3 ASN 114 2HB ASN 114 10.444 27.635 1.179 850 HD21 ASN 114 1HD2 ASN 114 7.625 28.764 2.811 851 HD22 ASN 114 2HD2 ASN 114 8.470 27.535 1.903 852 H ALA 115 H ALA 115 10.734 29.613 4.603 853 HA ALA 115 HA ALA 115 10.720 27.190 6.289 854 HB1 ALA 115 1HB ALA 115 11.433 29.362 7.241 855 HB2 ALA 115 2HB ALA 115 9.979 28.744 8.060 856 HB3 ALA 115 3HB ALA 115 9.835 30.051 6.864 857 H ALA 116 H ALA 116 8.857 26.278 7.185 858 HA ALA 116 HA ALA 116 6.520 26.235 5.521 859 HB1 ALA 116 1HB ALA 116 5.607 24.702 7.173 860 HB2 ALA 116 2HB ALA 116 6.841 25.180 8.362 861 HB3 ALA 116 3HB ALA 116 7.311 24.288 6.896 862 H ILE 117 H ILE 117 4.529 27.083 5.818 863 HA ILE 117 HA ILE 117 4.363 29.528 7.437 864 HB ILE 117 HB ILE 117 2.331 28.149 5.635 865 HG12 ILE 117 1HG1 ILE 117 3.894 30.580 4.804 866 HG13 ILE 117 2HG1 ILE 117 4.635 28.990 4.652 867 HG21 ILE 117 1HG2 ILE 117 2.445 31.025 6.660 868 HG22 ILE 117 2HG2 ILE 117 1.266 29.788 7.150 869 HG23 ILE 117 3HG2 ILE 117 1.259 30.402 5.493 870 HD11 ILE 117 1HD1 ILE 117 3.566 29.653 2.565 871 HD12 ILE 117 2HD1 ILE 117 2.002 29.792 3.397 872 HD13 ILE 117 3HD1 ILE 117 2.797 28.202 3.253 873 H VAL 118 H VAL 118 3.161 29.665 9.412 874 HA VAL 118 HA VAL 118 2.275 27.270 10.759 875 HB VAL 118 HB VAL 118 1.459 30.206 11.150 876 HG11 VAL 118 1HG1 VAL 118 0.705 29.473 13.416 877 HG12 VAL 118 2HG1 VAL 118 0.977 27.783 12.937 878 HG13 VAL 118 3HG1 VAL 118 -0.261 28.758 12.111 879 HG21 VAL 118 1HG2 VAL 118 3.488 28.455 12.612 880 HG22 VAL 118 2HG2 VAL 118 3.029 30.106 13.086 881 HG23 VAL 118 3HG2 VAL 118 3.858 29.829 11.543 882 H LEU 119 H LEU 119 0.483 26.082 10.345 883 HA LEU 119 HA LEU 119 -1.166 26.753 8.104 884 HB2 LEU 119 1HB LEU 119 -0.567 24.469 8.976 885 HB3 LEU 119 2HB LEU 119 -1.734 24.699 10.266 886 HG LEU 119 HG LEU 119 -2.576 24.903 7.355 887 HD11 LEU 119 1HD1 LEU 119 -3.037 22.507 7.363 888 HD12 LEU 119 2HD1 LEU 119 -2.333 22.352 8.992 889 HD13 LEU 119 3HD1 LEU 119 -1.309 22.807 7.615 890 HD21 LEU 119 1HD2 LEU 119 -3.972 24.238 9.982 891 HD22 LEU 119 2HD2 LEU 119 -4.703 23.873 8.403 892 HD23 LEU 119 3HD2 LEU 119 -4.338 25.546 8.844 893 H GLN 120 H GLN 120 -2.953 27.886 7.940 894 HA GLN 120 HA GLN 120 -4.511 28.608 10.392 895 HB2 GLN 120 1HB GLN 120 -3.683 30.360 8.053 896 HB3 GLN 120 2HB GLN 120 -4.876 30.826 9.270 897 HG2 GLN 120 1HG GLN 120 -3.288 31.118 10.918 898 HG3 GLN 120 2HG GLN 120 -2.136 30.029 10.147 899 HE21 GLN 120 1HE2 GLN 120 -0.630 32.478 8.159 900 HE22 GLN 120 2HE2 GLN 120 -0.782 30.771 8.528 901 H LEU 121 H LEU 121 -6.761 29.005 9.868 902 HA LEU 121 HA LEU 121 -7.585 27.722 7.293 903 HB2 LEU 121 1HB LEU 121 -8.758 27.736 10.068 904 HB3 LEU 121 2HB LEU 121 -9.836 27.630 8.689 905 HG LEU 121 HG LEU 121 -7.631 25.637 9.299 906 HD11 LEU 121 1HD1 LEU 121 -9.585 24.178 9.893 907 HD12 LEU 121 2HD1 LEU 121 -10.643 25.592 9.722 908 HD13 LEU 121 3HD1 LEU 121 -9.386 25.573 10.974 909 HD21 LEU 121 1HD2 LEU 121 -8.888 24.223 7.623 910 HD22 LEU 121 2HD2 LEU 121 -8.116 25.646 6.908 911 HD23 LEU 121 3HD2 LEU 121 -9.861 25.654 7.211 912 HA PRO 122 HA PRO 122 -9.168 31.679 6.342 913 HB2 PRO 122 1HB PRO 122 -11.133 31.141 4.540 914 HB3 PRO 122 2HB PRO 122 -9.387 30.858 4.170 915 HG2 PRO 122 1HG PRO 122 -11.463 28.902 5.143 916 HG3 PRO 122 2HG PRO 122 -10.361 28.765 3.736 917 HD2 PRO 122 1HD PRO 122 -9.775 27.627 6.096 918 HD3 PRO 122 2HD PRO 122 -8.496 28.379 5.084 919 H GLN 123 H GLN 123 -11.115 33.046 6.427 920 HA GLN 123 HA GLN 123 -12.509 32.759 8.847 921 HB2 GLN 123 1HB GLN 123 -12.166 34.859 7.503 922 HB3 GLN 123 2HB GLN 123 -13.397 34.289 6.369 923 HG2 GLN 123 1HG GLN 123 -15.093 34.362 8.132 924 HG3 GLN 123 2HG GLN 123 -13.867 34.830 9.321 925 HE21 GLN 123 1HE2 GLN 123 -15.338 38.013 8.531 926 HE22 GLN 123 2HE2 GLN 123 -15.603 36.591 9.511 927 H GLY 124 H GLY 124 -14.270 31.662 9.460 928 HA2 GLY 124 1HA GLY 124 -16.452 30.772 9.113 929 HA3 GLY 124 2HA GLY 124 -16.119 30.622 7.384 930 H THR 125 H THR 125 -13.336 29.382 8.243 931 HA THR 125 HA THR 125 -14.526 26.675 8.700 932 HB THR 125 HB THR 125 -11.751 27.271 7.623 933 HG1 THR 125 HG1 THR 125 -13.421 28.128 6.264 934 HG21 THR 125 1HG2 THR 125 -11.900 24.991 6.780 935 HG22 THR 125 2HG2 THR 125 -13.567 24.832 7.351 936 HG23 THR 125 3HG2 THR 125 -12.237 24.951 8.514 937 H THR 126 H THR 126 -14.084 25.541 10.470 938 HA THR 126 HA THR 126 -11.983 26.567 12.321 939 HB THR 126 HB THR 126 -13.544 25.681 14.141 940 HG1 THR 126 HG1 THR 126 -15.743 25.541 13.480 941 HG21 THR 126 1HG2 THR 126 -14.898 27.696 14.185 942 HG22 THR 126 2HG2 THR 126 -14.605 27.975 12.452 943 HG23 THR 126 3HG2 THR 126 -13.262 28.095 13.617 944 H LEU 127 H LEU 127 -10.958 25.059 13.639 945 HA LEU 127 HA LEU 127 -10.662 22.401 12.455 946 HB2 LEU 127 1HB LEU 127 -9.553 23.581 15.009 947 HB3 LEU 127 2HB LEU 127 -9.076 22.044 14.345 948 HG LEU 127 HG LEU 127 -8.584 24.698 12.968 949 HD11 LEU 127 1HD1 LEU 127 -7.345 24.522 15.095 950 HD12 LEU 127 2HD1 LEU 127 -6.255 24.420 13.695 951 HD13 LEU 127 3HD1 LEU 127 -6.699 22.945 14.587 952 HD21 LEU 127 1HD2 LEU 127 -7.036 23.380 11.577 953 HD22 LEU 127 2HD2 LEU 127 -8.687 22.757 11.444 954 HD23 LEU 127 3HD2 LEU 127 -7.499 21.898 12.448 955 HA PRO 128 HA PRO 128 -13.587 20.527 15.179 956 HB2 PRO 128 1HB PRO 128 -12.722 17.957 15.386 957 HB3 PRO 128 2HB PRO 128 -13.346 18.626 13.846 958 HG2 PRO 128 1HG PRO 128 -10.539 18.274 14.760 959 HG3 PRO 128 2HG PRO 128 -11.285 17.844 13.197 960 HD2 PRO 128 1HD PRO 128 -9.829 20.132 13.607 961 HD3 PRO 128 2HD PRO 128 -11.167 20.050 12.426 962 H LYS 129 H LYS 129 -13.745 19.287 17.322 963 HA LYS 129 HA LYS 129 -12.264 20.780 19.232 964 HB2 LYS 129 1HB LYS 129 -14.581 19.728 19.470 965 HB3 LYS 129 2HB LYS 129 -13.766 18.184 19.724 966 HG2 LYS 129 1HG LYS 129 -14.303 19.001 21.876 967 HG3 LYS 129 2HG LYS 129 -12.563 19.281 21.693 968 HD2 LYS 129 1HD LYS 129 -13.018 21.658 21.110 969 HD3 LYS 129 2HD LYS 129 -14.760 21.356 21.271 970 HE2 LYS 129 1HE LYS 129 -14.415 20.737 23.656 971 HE3 LYS 129 2HE LYS 129 -12.685 21.101 23.487 972 HZ1 LYS 129 1HZ LYS 129 -13.289 23.394 22.956 973 HZ2 LYS 129 2HZ LYS 129 -13.900 22.973 24.429 974 HZ3 LYS 129 3HZ LYS 129 -14.894 23.053 23.116 975 H GLY 130 H GLY 130 -10.268 20.521 19.985 976 HA2 GLY 130 1HA GLY 130 -8.596 19.265 21.086 977 HA3 GLY 130 2HA GLY 130 -9.233 17.782 20.376 978 H PHE 131 H PHE 131 -8.934 20.164 17.955 979 HA PHE 131 HA PHE 131 -6.258 19.111 17.165 980 HB2 PHE 131 1HB PHE 131 -8.771 19.772 15.721 981 HB3 PHE 131 2HB PHE 131 -7.297 20.396 14.980 982 HD1 PHE 131 HD1 PHE 131 -8.993 17.262 16.101 983 HD2 PHE 131 HD2 PHE 131 -5.791 18.998 13.819 984 HE1 PHE 131 HE1 PHE 131 -8.546 15.052 15.053 985 HE2 PHE 131 HE2 PHE 131 -5.331 16.790 12.761 986 HZ PHE 131 HZ PHE 131 -6.719 14.808 13.378 987 H TYR 132 H TYR 132 -4.700 20.578 16.684 988 HA TYR 132 HA TYR 132 -5.333 23.456 16.609 989 HB2 TYR 132 1HB TYR 132 -3.627 24.036 18.271 990 HB3 TYR 132 2HB TYR 132 -4.934 23.095 18.979 991 HD1 TYR 132 HD1 TYR 132 -1.343 23.258 18.372 992 HD2 TYR 132 HD2 TYR 132 -4.552 20.641 19.571 993 HE1 TYR 132 HE1 TYR 132 0.298 21.710 19.429 994 HE2 TYR 132 HE2 TYR 132 -2.903 19.099 20.624 995 HH TYR 132 HH TYR 132 0.601 19.831 20.668 996 H ALA 133 H ALA 133 -3.333 24.701 15.918 997 HA ALA 133 HA ALA 133 -1.895 23.032 13.924 998 HB1 ALA 133 1HB ALA 133 -3.166 24.954 13.044 999 HB2 ALA 133 2HB ALA 133 -1.420 25.187 12.801 1000 HB3 ALA 133 3HB ALA 133 -2.257 26.051 14.107 1001 H GLU 134 H GLU 134 0.333 23.038 13.720 1002 HA GLU 134 HA GLU 134 1.811 23.534 16.178 1003 HB2 GLU 134 1HB GLU 134 2.460 21.712 14.718 1004 HB3 GLU 134 2HB GLU 134 2.637 22.803 13.355 1005 HG2 GLU 134 1HG GLU 134 4.816 22.250 14.106 1006 HG3 GLU 134 2HG GLU 134 4.516 23.934 14.560 1007 H GLY 135 H GLY 135 3.055 25.257 16.722 1008 HA2 GLY 135 1HA GLY 135 4.194 27.271 16.420 1009 HA3 GLY 135 2HA GLY 135 3.687 27.318 14.727 1010 H SER 136 H SER 136 0.824 26.737 16.119 1011 HA SER 136 HA SER 136 0.146 29.600 16.121 1012 HB2 SER 136 1HB SER 136 -1.304 27.927 15.001 1013 HB3 SER 136 2HB SER 136 -1.612 27.161 16.575 1014 HG SER 136 HG SER 136 -3.205 28.751 15.851 1015 H ARG 137 H ARG 137 0.265 30.801 17.873 1016 HA ARG 137 HA ARG 137 -0.688 29.829 20.495 1017 HB2 ARG 137 1HB ARG 137 2.192 30.479 19.837 1018 HB3 ARG 137 2HB ARG 137 1.540 31.048 21.372 1019 HG2 ARG 137 1HG ARG 137 0.931 28.219 20.939 1020 HG3 ARG 137 2HG ARG 137 2.671 28.538 20.863 1021 HD2 ARG 137 1HD ARG 137 0.833 29.437 23.115 1022 HD3 ARG 137 2HD ARG 137 1.846 27.980 23.158 1023 HE ARG 137 HE ARG 137 3.530 30.150 22.524 1024 HH11 ARG 137 1HH1 ARG 137 1.587 29.118 25.287 1025 HH12 ARG 137 2HH1 ARG 137 2.618 29.933 26.433 1026 HH21 ARG 137 1HH2 ARG 137 4.800 31.159 24.045 1027 HH22 ARG 137 2HH2 ARG 137 4.402 31.067 25.739 1028 H GLY 138 H GLY 138 -0.908 31.788 21.923 1029 HA2 GLY 138 1HA GLY 138 -0.810 34.176 22.176 1030 HA3 GLY 138 2HA GLY 138 -0.778 34.349 20.416 1031 H GLY 139 H GLY 139 -2.494 35.944 21.002 1032 HA2 GLY 139 1HA GLY 139 -4.926 35.717 20.128 1033 HA3 GLY 139 2HA GLY 139 -5.140 34.687 21.570 1034 H SER 140 H SER 140 -3.038 36.216 22.968 1035 HA SER 140 HA SER 140 -3.960 38.974 23.271 1036 HB2 SER 140 1HB SER 140 -4.056 36.961 25.569 1037 HB3 SER 140 2HB SER 140 -4.295 38.718 25.707 1038 HG SER 140 HG SER 140 -5.919 37.792 23.808 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 10.064 -5.864 1.848 2 H2 GLY 1 2H GLY 1 11.192 -4.955 2.639 3 H3 GLY 1 3H GLY 1 11.418 -5.351 1.056 4 HA2 GLY 1 1HA GLY 1 9.532 -4.041 0.388 5 HA3 GLY 1 2HA GLY 1 9.272 -3.624 2.094 6 H ALA 2 H ALA 2 9.598 -1.549 0.284 7 HA ALA 2 HA ALA 2 12.366 -0.791 0.017 8 HB1 ALA 2 1HB ALA 2 10.590 0.050 -1.496 9 HB2 ALA 2 2HB ALA 2 11.427 1.393 -0.685 10 HB3 ALA 2 3HB ALA 2 9.815 0.888 -0.128 11 H MET 3 H MET 3 13.474 0.899 1.078 12 HA MET 3 HA MET 3 12.406 2.024 3.580 13 HB2 MET 3 1HB MET 3 13.506 -0.123 4.278 14 HB3 MET 3 2HB MET 3 14.973 0.366 3.420 15 HG2 MET 3 1HG MET 3 15.266 2.262 4.939 16 HG3 MET 3 2HG MET 3 13.755 1.852 5.774 17 HE1 MET 3 1HE MET 3 16.703 0.892 8.315 18 HE2 MET 3 2HE MET 3 15.280 1.934 8.077 19 HE3 MET 3 3HE MET 3 16.757 2.208 7.118 20 H GLY 4 H GLY 4 13.488 4.067 3.838 21 HA2 GLY 4 1HA GLY 4 14.925 5.816 3.212 22 HA3 GLY 4 2HA GLY 4 15.749 4.704 2.101 23 H LEU 5 H LEU 5 12.264 5.309 2.196 24 HA LEU 5 HA LEU 5 12.032 5.655 -0.603 25 HB2 LEU 5 1HB LEU 5 10.232 6.425 1.717 26 HB3 LEU 5 2HB LEU 5 9.804 6.764 0.048 27 HG LEU 5 HG LEU 5 9.945 4.289 -0.429 28 HD11 LEU 5 1HD1 LEU 5 9.603 2.776 1.551 29 HD12 LEU 5 2HD1 LEU 5 10.063 4.123 2.613 30 HD13 LEU 5 3HD1 LEU 5 11.233 3.457 1.444 31 HD21 LEU 5 1HD2 LEU 5 7.717 3.866 0.542 32 HD22 LEU 5 2HD2 LEU 5 7.835 5.491 -0.152 33 HD23 LEU 5 3HD2 LEU 5 7.917 5.273 1.616 34 HA PRO 6 HA PRO 6 13.522 9.722 -1.041 35 HB2 PRO 6 1HB PRO 6 12.235 10.652 -3.271 36 HB3 PRO 6 2HB PRO 6 13.468 9.352 -3.340 37 HG2 PRO 6 1HG PRO 6 10.469 9.091 -3.214 38 HG3 PRO 6 2HG PRO 6 11.613 8.356 -4.384 39 HD2 PRO 6 1HD PRO 6 10.737 6.968 -2.260 40 HD3 PRO 6 2HD PRO 6 12.454 6.848 -2.784 41 H ASN 7 H ASN 7 13.130 11.893 -0.654 42 HA ASN 7 HA ASN 7 10.340 12.774 -0.155 43 HB2 ASN 7 1HB ASN 7 11.131 11.899 2.004 44 HB3 ASN 7 2HB ASN 7 12.592 12.890 1.886 45 HD21 ASN 7 1HD2 ASN 7 11.016 15.370 3.713 46 HD22 ASN 7 2HD2 ASN 7 12.382 14.303 3.504 47 H ASN 8 H ASN 8 10.617 14.148 -1.974 48 HA ASN 8 HA ASN 8 12.487 16.441 -1.468 49 HB2 ASN 8 1HB ASN 8 12.999 14.791 -3.439 50 HB3 ASN 8 2HB ASN 8 11.634 15.589 -4.236 51 HD21 ASN 8 1HD2 ASN 8 13.634 18.204 -5.319 52 HD22 ASN 8 2HD2 ASN 8 12.234 17.187 -5.542 53 H THR 9 H THR 9 9.476 15.697 -1.043 54 HA THR 9 HA THR 9 8.394 18.250 -2.151 55 HB THR 9 HB THR 9 6.193 17.008 -2.448 56 HG1 THR 9 HG1 THR 9 6.798 15.175 -1.191 57 HG21 THR 9 1HG2 THR 9 6.763 16.037 -4.611 58 HG22 THR 9 2HG2 THR 9 8.482 15.961 -4.164 59 HG23 THR 9 3HG2 THR 9 7.686 17.539 -4.379 60 H ALA 10 H ALA 10 8.661 19.228 -0.104 61 HA ALA 10 HA ALA 10 7.437 17.888 2.209 62 HB1 ALA 10 1HB ALA 10 9.677 19.026 2.363 63 HB2 ALA 10 2HB ALA 10 8.471 19.650 3.511 64 HB3 ALA 10 3HB ALA 10 8.860 20.575 2.040 65 H SER 11 H SER 11 5.662 18.579 3.235 66 HA SER 11 HA SER 11 3.598 19.946 1.869 67 HB2 SER 11 1HB SER 11 3.089 20.258 4.600 68 HB3 SER 11 2HB SER 11 2.620 18.863 3.601 69 HG SER 11 HG SER 11 3.854 18.252 5.446 70 H TRP 12 H TRP 12 2.917 22.086 1.870 71 HA TRP 12 HA TRP 12 4.885 24.091 2.349 72 HB2 TRP 12 1HB TRP 12 2.030 24.059 1.514 73 HB3 TRP 12 2HB TRP 12 2.689 25.576 2.144 74 HD1 TRP 12 HD1 TRP 12 2.784 23.378 -0.875 75 HE1 TRP 12 HE1 TRP 12 4.189 24.391 -2.738 76 HE3 TRP 12 HE3 TRP 12 4.882 27.117 1.868 77 HZ2 TRP 12 HZ2 TRP 12 6.080 26.523 -2.969 78 HZ3 TRP 12 HZ3 TRP 12 6.516 28.656 0.753 79 HH2 TRP 12 HH2 TRP 12 7.122 28.329 -1.641 80 H PHE 13 H PHE 13 2.594 22.692 4.516 81 HA PHE 13 HA PHE 13 2.832 25.078 6.272 82 HB2 PHE 13 1HB PHE 13 0.553 23.099 6.046 83 HB3 PHE 13 2HB PHE 13 0.609 24.516 7.100 84 HD1 PHE 13 HD1 PHE 13 -0.022 23.292 3.727 85 HD2 PHE 13 HD2 PHE 13 0.573 26.798 6.144 86 HE1 PHE 13 HE1 PHE 13 -0.945 24.700 1.903 87 HE2 PHE 13 HE2 PHE 13 -0.333 28.212 4.320 88 HZ PHE 13 HZ PHE 13 -1.070 27.161 2.190 89 H THR 14 H THR 14 2.529 24.790 8.498 90 HA THR 14 HA THR 14 4.139 22.656 9.579 91 HB THR 14 HB THR 14 3.484 23.614 11.760 92 HG1 THR 14 HG1 THR 14 2.000 25.249 11.879 93 HG21 THR 14 1HG2 THR 14 4.398 25.869 11.483 94 HG22 THR 14 2HG2 THR 14 4.180 25.756 9.726 95 HG23 THR 14 3HG2 THR 14 5.332 24.682 10.548 96 H ALA 15 H ALA 15 3.300 21.256 11.372 97 HA ALA 15 HA ALA 15 1.128 19.731 10.253 98 HB1 ALA 15 1HB ALA 15 1.801 18.046 11.717 99 HB2 ALA 15 2HB ALA 15 2.435 19.202 12.918 100 HB3 ALA 15 3HB ALA 15 3.307 18.926 11.396 101 H LEU 16 H LEU 16 -0.906 19.416 10.928 102 HA LEU 16 HA LEU 16 -1.965 21.031 13.187 103 HB2 LEU 16 1HB LEU 16 -3.124 19.092 11.159 104 HB3 LEU 16 2HB LEU 16 -4.004 19.507 12.608 105 HG LEU 16 HG LEU 16 -3.259 21.396 10.396 106 HD11 LEU 16 1HD1 LEU 16 -5.688 21.480 10.045 107 HD12 LEU 16 2HD1 LEU 16 -5.946 20.372 11.414 108 HD13 LEU 16 3HD1 LEU 16 -5.122 19.800 9.946 109 HD21 LEU 16 1HD2 LEU 16 -4.708 23.009 11.689 110 HD22 LEU 16 2HD2 LEU 16 -3.142 22.656 12.422 111 HD23 LEU 16 3HD2 LEU 16 -4.616 21.892 13.066 112 H THR 17 H THR 17 -2.611 20.023 15.165 113 HA THR 17 HA THR 17 -1.756 17.161 15.419 114 HB THR 17 HB THR 17 -1.349 19.338 17.491 115 HG1 THR 17 HG1 THR 17 -0.059 19.621 15.609 116 HG21 THR 17 1HG2 THR 17 -0.399 16.461 17.237 117 HG22 THR 17 2HG2 THR 17 -1.477 17.143 18.482 118 HG23 THR 17 3HG2 THR 17 0.229 17.628 18.426 119 H GLN 18 H GLN 18 -3.170 15.870 16.413 120 HA GLN 18 HA GLN 18 -5.724 17.068 17.320 121 HB2 GLN 18 1HB GLN 18 -5.772 15.226 15.685 122 HB3 GLN 18 2HB GLN 18 -4.806 14.222 16.741 123 HG2 GLN 18 1HG GLN 18 -7.136 13.497 16.761 124 HG3 GLN 18 2HG GLN 18 -6.655 14.059 18.356 125 HE21 GLN 18 1HE2 GLN 18 -9.948 15.514 16.733 126 HE22 GLN 18 2HE2 GLN 18 -9.133 14.023 16.269 127 H HIS 19 H HIS 19 -6.489 16.924 19.374 128 HA HIS 19 HA HIS 19 -5.301 14.863 21.161 129 HB2 HIS 19 1HB HIS 19 -4.304 17.141 21.715 130 HB3 HIS 19 2HB HIS 19 -5.942 17.713 22.046 131 HD1 HIS 19 HD1 HIS 19 -4.943 18.126 24.555 132 HD2 HIS 19 HD2 HIS 19 -5.310 14.161 23.335 133 HE1 HIS 19 HE1 HIS 19 -4.779 16.697 26.637 134 H GLY 20 H GLY 20 -7.126 13.586 20.840 135 HA2 GLY 20 1HA GLY 20 -9.607 14.179 22.022 136 HA3 GLY 20 2HA GLY 20 -9.702 14.698 20.323 137 H LYS 21 H LYS 21 -11.343 12.955 20.104 138 HA LYS 21 HA LYS 21 -10.158 10.219 20.181 139 HB2 LYS 21 1HB LYS 21 -13.046 11.133 20.118 140 HB3 LYS 21 2HB LYS 21 -12.508 9.451 20.069 141 HG2 LYS 21 1HG LYS 21 -11.235 10.006 22.266 142 HG3 LYS 21 2HG LYS 21 -12.302 11.419 22.355 143 HD2 LYS 21 1HD LYS 21 -13.221 8.520 22.125 144 HD3 LYS 21 2HD LYS 21 -13.138 9.440 23.638 145 HE2 LYS 21 1HE LYS 21 -14.772 11.080 22.708 146 HE3 LYS 21 2HE LYS 21 -14.896 10.091 21.234 147 HZ1 LYS 21 1HZ LYS 21 -16.665 9.568 22.799 148 HZ2 LYS 21 2HZ LYS 21 -15.575 9.170 23.972 149 HZ3 LYS 21 3HZ LYS 21 -15.684 8.256 22.604 150 H GLU 22 H GLU 22 -11.591 12.472 17.852 151 HA GLU 22 HA GLU 22 -11.821 10.331 15.851 152 HB2 GLU 22 1HB GLU 22 -12.517 12.153 14.346 153 HB3 GLU 22 2HB GLU 22 -13.495 12.064 15.799 154 HG2 GLU 22 1HG GLU 22 -12.235 13.956 16.769 155 HG3 GLU 22 2HG GLU 22 -11.274 14.057 15.279 156 H ASP 23 H ASP 23 -10.709 10.601 13.740 157 HA ASP 23 HA ASP 23 -7.867 10.951 14.246 158 HB2 ASP 23 1HB ASP 23 -9.291 9.330 12.597 159 HB3 ASP 23 2HB ASP 23 -8.910 10.608 11.446 160 H LEU 24 H LEU 24 -10.026 12.345 11.752 161 HA LEU 24 HA LEU 24 -9.692 15.083 12.397 162 HB2 LEU 24 1HB LEU 24 -7.403 14.896 11.480 163 HB3 LEU 24 2HB LEU 24 -8.019 14.094 10.049 164 HG LEU 24 HG LEU 24 -9.094 16.130 9.287 165 HD11 LEU 24 1HD1 LEU 24 -8.875 18.282 10.346 166 HD12 LEU 24 2HD1 LEU 24 -7.903 17.599 11.663 167 HD13 LEU 24 3HD1 LEU 24 -9.615 17.177 11.511 168 HD21 LEU 24 1HD2 LEU 24 -7.081 17.463 8.848 169 HD22 LEU 24 2HD2 LEU 24 -6.757 15.724 8.701 170 HD23 LEU 24 3HD2 LEU 24 -6.225 16.605 10.151 171 H LYS 25 H LYS 25 -11.413 16.097 11.307 172 HA LYS 25 HA LYS 25 -12.325 14.910 8.775 173 HB2 LYS 25 1HB LYS 25 -13.460 13.795 10.851 174 HB3 LYS 25 2HB LYS 25 -14.343 15.314 11.015 175 HG2 LYS 25 1HG LYS 25 -14.310 13.905 8.357 176 HG3 LYS 25 2HG LYS 25 -15.320 13.254 9.659 177 HD2 LYS 25 1HD LYS 25 -16.535 15.335 9.852 178 HD3 LYS 25 2HD LYS 25 -15.439 16.124 8.709 179 HE2 LYS 25 1HE LYS 25 -16.116 14.356 7.011 180 HE3 LYS 25 2HE LYS 25 -17.426 13.920 8.136 181 HZ1 LYS 25 1HZ LYS 25 -18.181 15.553 6.547 182 HZ2 LYS 25 2HZ LYS 25 -16.947 16.585 6.928 183 HZ3 LYS 25 3HZ LYS 25 -18.132 16.262 8.037 184 H PHE 26 H PHE 26 -13.006 16.490 7.419 185 HA PHE 26 HA PHE 26 -13.630 19.159 8.610 186 HB2 PHE 26 1HB PHE 26 -11.869 18.368 6.302 187 HB3 PHE 26 2HB PHE 26 -12.772 19.879 6.187 188 HD1 PHE 26 HD1 PHE 26 -9.578 19.023 6.662 189 HD2 PHE 26 HD2 PHE 26 -12.706 20.949 8.940 190 HE1 PHE 26 HE1 PHE 26 -7.887 20.153 8.083 191 HE2 PHE 26 HE2 PHE 26 -11.003 22.108 10.303 192 HZ PHE 26 HZ PHE 26 -8.585 21.699 9.888 193 HA PRO 27 HA PRO 27 -17.491 18.970 6.540 194 HB2 PRO 27 1HB PRO 27 -17.850 21.512 5.529 195 HB3 PRO 27 2HB PRO 27 -17.927 21.121 7.277 196 HG2 PRO 27 1HG PRO 27 -15.622 22.145 5.686 197 HG3 PRO 27 2HG PRO 27 -16.313 22.786 7.202 198 HD2 PRO 27 1HD PRO 27 -14.155 21.248 7.207 199 HD3 PRO 27 2HD PRO 27 -15.432 21.023 8.454 200 H ARG 28 H ARG 28 -18.706 19.345 4.413 201 HA ARG 28 HA ARG 28 -17.033 18.322 2.243 202 HB2 ARG 28 1HB ARG 28 -19.386 17.561 2.671 203 HB3 ARG 28 2HB ARG 28 -19.946 19.179 2.252 204 HG2 ARG 28 1HG ARG 28 -20.330 17.871 0.330 205 HG3 ARG 28 2HG ARG 28 -18.886 18.824 -0.046 206 HD2 ARG 28 1HD ARG 28 -17.455 16.886 0.481 207 HD3 ARG 28 2HD ARG 28 -18.889 15.943 0.940 208 HE ARG 28 HE ARG 28 -19.248 16.927 -1.704 209 HH11 ARG 28 1HH1 ARG 28 -17.266 14.536 -0.018 210 HH12 ARG 28 2HH1 ARG 28 -17.119 13.529 -1.433 211 HH21 ARG 28 1HH2 ARG 28 -18.997 15.601 -3.468 212 HH22 ARG 28 2HH2 ARG 28 -18.081 14.122 -3.348 213 H GLY 29 H GLY 29 -16.073 19.501 0.719 214 HA2 GLY 29 1HA GLY 29 -15.691 21.208 -0.795 215 HA3 GLY 29 2HA GLY 29 -17.284 21.859 -0.397 216 H GLN 30 H GLN 30 -15.105 21.413 2.265 217 HA GLN 30 HA GLN 30 -13.945 24.101 2.145 218 HB2 GLN 30 1HB GLN 30 -16.267 24.559 2.865 219 HB3 GLN 30 2HB GLN 30 -16.160 23.293 4.071 220 HG2 GLN 30 1HG GLN 30 -14.341 24.662 5.182 221 HG3 GLN 30 2HG GLN 30 -14.779 25.974 4.079 222 HE21 GLN 30 1HE2 GLN 30 -16.643 26.469 7.222 223 HE22 GLN 30 2HE2 GLN 30 -14.958 26.414 6.718 224 H GLY 31 H GLY 31 -12.171 24.157 3.774 225 HA2 GLY 31 1HA GLY 31 -11.643 22.964 6.007 226 HA3 GLY 31 2HA GLY 31 -11.739 21.487 5.049 227 H VAL 32 H VAL 32 -10.552 23.299 2.772 228 HA VAL 32 HA VAL 32 -7.832 22.486 3.277 229 HB VAL 32 HB VAL 32 -7.304 23.706 1.197 230 HG11 VAL 32 1HG1 VAL 32 -8.643 22.326 -0.320 231 HG12 VAL 32 2HG1 VAL 32 -9.756 21.963 1.008 232 HG13 VAL 32 3HG1 VAL 32 -8.066 21.415 1.076 233 HG21 VAL 32 1HG2 VAL 32 -9.052 24.681 -0.180 234 HG22 VAL 32 2HG2 VAL 32 -8.841 25.573 1.336 235 HG23 VAL 32 3HG2 VAL 32 -10.226 24.469 1.140 236 HA PRO 33 HA PRO 33 -6.608 26.099 5.464 237 HB2 PRO 33 1HB PRO 33 -3.910 25.919 5.241 238 HB3 PRO 33 2HB PRO 33 -4.878 24.726 6.160 239 HG2 PRO 33 1HG PRO 33 -3.796 24.547 3.405 240 HG3 PRO 33 2HG PRO 33 -3.742 23.353 4.728 241 HD2 PRO 33 1HD PRO 33 -5.562 23.263 2.716 242 HD3 PRO 33 2HD PRO 33 -5.899 22.638 4.365 243 H ILE 34 H ILE 34 -5.166 28.062 5.231 244 HA ILE 34 HA ILE 34 -5.785 29.315 2.669 245 HB ILE 34 HB ILE 34 -4.244 30.334 5.097 246 HG12 ILE 34 1HG1 ILE 34 -7.074 30.883 4.178 247 HG13 ILE 34 2HG1 ILE 34 -6.644 29.764 5.477 248 HG21 ILE 34 1HG2 ILE 34 -3.703 31.566 2.943 249 HG22 ILE 34 2HG2 ILE 34 -4.504 32.582 4.137 250 HG23 ILE 34 3HG2 ILE 34 -5.431 31.932 2.762 251 HD11 ILE 34 1HD1 ILE 34 -6.213 32.763 5.468 252 HD12 ILE 34 2HD1 ILE 34 -5.560 31.659 6.705 253 HD13 ILE 34 3HD1 ILE 34 -7.310 31.833 6.497 254 H ASN 35 H ASN 35 -4.574 29.114 0.964 255 HA ASN 35 HA ASN 35 -1.620 28.776 1.324 256 HB2 ASN 35 1HB ASN 35 -3.165 28.489 -1.245 257 HB3 ASN 35 2HB ASN 35 -1.500 28.034 -0.966 258 HD21 ASN 35 1HD2 ASN 35 -3.754 25.065 -0.940 259 HD22 ASN 35 2HD2 ASN 35 -3.442 26.369 -2.072 260 H THR 36 H THR 36 -1.189 30.916 1.904 261 HA THR 36 HA THR 36 -2.328 33.213 0.719 262 HB THR 36 HB THR 36 -0.393 34.431 1.747 263 HG1 THR 36 HG1 THR 36 1.197 33.165 2.780 264 HG21 THR 36 1HG2 THR 36 -2.308 33.655 3.153 265 HG22 THR 36 2HG2 THR 36 -0.772 33.771 4.038 266 HG23 THR 36 3HG2 THR 36 -1.379 32.181 3.527 267 H ASN 37 H ASN 37 0.378 31.315 -0.381 268 HA ASN 37 HA ASN 37 1.119 33.451 -2.337 269 HB2 ASN 37 1HB ASN 37 3.251 32.146 -2.513 270 HB3 ASN 37 2HB ASN 37 2.916 32.761 -0.889 271 HD21 ASN 37 1HD2 ASN 37 3.174 29.676 0.582 272 HD22 ASN 37 2HD2 ASN 37 3.248 31.419 0.682 273 H SER 38 H SER 38 -1.160 31.377 -2.579 274 HA SER 38 HA SER 38 -0.199 30.199 -5.158 275 HB2 SER 38 1HB SER 38 -1.997 28.843 -3.149 276 HB3 SER 38 2HB SER 38 -1.347 28.163 -4.652 277 HG SER 38 HG SER 38 0.397 29.173 -2.695 278 H SER 39 H SER 39 -2.104 29.356 -6.487 279 HA SER 39 HA SER 39 -3.927 31.639 -6.803 280 HB2 SER 39 1HB SER 39 -3.492 29.080 -8.385 281 HB3 SER 39 2HB SER 39 -4.544 30.417 -8.889 282 HG SER 39 HG SER 39 -1.937 31.061 -8.154 283 HA PRO 40 HA PRO 40 -7.342 29.815 -4.833 284 HB2 PRO 40 1HB PRO 40 -9.547 30.400 -6.342 285 HB3 PRO 40 2HB PRO 40 -8.642 31.644 -5.420 286 HG2 PRO 40 1HG PRO 40 -8.368 30.892 -8.325 287 HG3 PRO 40 2HG PRO 40 -8.631 32.512 -7.602 288 HD2 PRO 40 1HD PRO 40 -6.165 31.710 -8.275 289 HD3 PRO 40 2HD PRO 40 -6.435 32.609 -6.740 290 H ASP 41 H ASP 41 -6.824 28.841 -8.188 291 HA ASP 41 HA ASP 41 -8.706 26.647 -8.104 292 HB2 ASP 41 1HB ASP 41 -7.830 26.006 -10.182 293 HB3 ASP 41 2HB ASP 41 -7.771 27.772 -10.200 294 H ASP 42 H ASP 42 -5.608 27.223 -6.784 295 HA ASP 42 HA ASP 42 -4.673 24.467 -6.947 296 HB2 ASP 42 1HB ASP 42 -2.729 25.486 -6.901 297 HB3 ASP 42 2HB ASP 42 -3.530 27.039 -6.696 298 H GLN 43 H GLN 43 -6.563 26.231 -4.735 299 HA GLN 43 HA GLN 43 -5.497 25.436 -2.273 300 HB2 GLN 43 1HB GLN 43 -8.411 25.885 -2.897 301 HB3 GLN 43 2HB GLN 43 -7.643 26.043 -1.320 302 HG2 GLN 43 1HG GLN 43 -7.094 27.811 -3.740 303 HG3 GLN 43 2HG GLN 43 -8.152 28.232 -2.401 304 HE21 GLN 43 1HE2 GLN 43 -4.345 29.267 -2.256 305 HE22 GLN 43 2HE2 GLN 43 -5.215 28.790 -3.695 306 H ILE 44 H ILE 44 -7.254 23.485 -4.501 307 HA ILE 44 HA ILE 44 -8.454 21.590 -2.784 308 HB ILE 44 HB ILE 44 -8.888 21.769 -5.210 309 HG12 ILE 44 1HG1 ILE 44 -7.839 19.011 -4.575 310 HG13 ILE 44 2HG1 ILE 44 -9.333 19.669 -3.907 311 HG21 ILE 44 1HG2 ILE 44 -6.106 20.587 -5.605 312 HG22 ILE 44 2HG2 ILE 44 -6.601 22.248 -5.996 313 HG23 ILE 44 3HG2 ILE 44 -7.294 20.885 -6.875 314 HD11 ILE 44 1HD1 ILE 44 -9.890 18.314 -5.801 315 HD12 ILE 44 2HD1 ILE 44 -8.693 19.138 -6.817 316 HD13 ILE 44 3HD1 ILE 44 -10.155 20.016 -6.257 317 H GLY 45 H GLY 45 -7.831 19.714 -1.787 318 HA2 GLY 45 1HA GLY 45 -5.437 18.329 -2.353 319 HA3 GLY 45 2HA GLY 45 -5.088 19.478 -1.057 320 H TYR 46 H TYR 46 -4.632 17.765 0.330 321 HA TYR 46 HA TYR 46 -7.038 16.845 1.723 322 HB2 TYR 46 1HB TYR 46 -6.450 14.493 1.644 323 HB3 TYR 46 2HB TYR 46 -6.637 15.084 -0.004 324 HD1 TYR 46 HD1 TYR 46 -4.627 15.400 -1.454 325 HD2 TYR 46 HD2 TYR 46 -4.356 13.799 2.529 326 HE1 TYR 46 HE1 TYR 46 -2.343 14.550 -1.976 327 HE2 TYR 46 HE2 TYR 46 -2.059 12.915 1.966 328 HH TYR 46 HH TYR 46 -0.378 12.800 0.417 329 H TYR 47 H TYR 47 -6.334 15.724 3.782 330 HA TYR 47 HA TYR 47 -3.653 16.789 4.620 331 HB2 TYR 47 1HB TYR 47 -6.092 16.078 6.235 332 HB3 TYR 47 2HB TYR 47 -4.519 16.386 6.934 333 HD1 TYR 47 HD1 TYR 47 -3.882 18.545 7.573 334 HD2 TYR 47 HD2 TYR 47 -7.138 18.086 4.792 335 HE1 TYR 47 HE1 TYR 47 -4.428 20.963 7.788 336 HE2 TYR 47 HE2 TYR 47 -7.661 20.507 5.025 337 HH TYR 47 HH TYR 47 -7.236 22.437 6.171 338 H ARG 48 H ARG 48 -2.201 15.394 5.424 339 HA ARG 48 HA ARG 48 -2.841 12.481 5.145 340 HB2 ARG 48 1HB ARG 48 -1.178 13.581 3.578 341 HB3 ARG 48 2HB ARG 48 -0.154 13.907 4.963 342 HG2 ARG 48 1HG ARG 48 0.230 11.584 5.347 343 HG3 ARG 48 2HG ARG 48 -1.063 11.119 4.224 344 HD2 ARG 48 1HD ARG 48 0.195 12.166 2.362 345 HD3 ARG 48 2HD ARG 48 1.518 12.538 3.476 346 HE ARG 48 HE ARG 48 0.738 9.888 2.422 347 HH11 ARG 48 1HH1 ARG 48 2.875 11.676 4.588 348 HH12 ARG 48 2HH1 ARG 48 4.007 10.355 4.710 349 HH21 ARG 48 1HH2 ARG 48 2.214 8.246 2.638 350 HH22 ARG 48 2HH2 ARG 48 3.631 8.447 3.629 351 H ARG 49 H ARG 49 -2.871 11.353 6.986 352 HA ARG 49 HA ARG 49 -1.933 12.478 9.486 353 HB2 ARG 49 1HB ARG 49 -3.756 10.803 9.307 354 HB3 ARG 49 2HB ARG 49 -2.591 9.591 8.767 355 HG2 ARG 49 1HG ARG 49 -1.590 9.420 10.868 356 HG3 ARG 49 2HG ARG 49 -2.162 11.018 11.378 357 HD2 ARG 49 1HD ARG 49 -3.373 9.270 12.569 358 HD3 ARG 49 2HD ARG 49 -4.448 10.206 11.534 359 HE ARG 49 HE ARG 49 -4.919 8.343 10.276 360 HH11 ARG 49 1HH1 ARG 49 -2.248 7.537 12.435 361 HH12 ARG 49 2HH1 ARG 49 -2.334 5.838 12.050 362 HH21 ARG 49 1HH2 ARG 49 -4.958 6.155 9.833 363 HH22 ARG 49 2HH2 ARG 49 -3.827 5.083 10.597 364 H ALA 50 H ALA 50 -0.050 12.253 10.534 365 HA ALA 50 HA ALA 50 2.021 10.442 9.383 366 HB1 ALA 50 1HB ALA 50 2.480 12.713 8.529 367 HB2 ALA 50 2HB ALA 50 3.698 12.248 9.745 368 HB3 ALA 50 3HB ALA 50 2.384 13.365 10.184 369 H THR 51 H THR 51 3.152 9.356 10.892 370 HA THR 51 HA THR 51 3.360 10.383 13.621 371 HB THR 51 HB THR 51 1.177 9.118 13.668 372 HG1 THR 51 HG1 THR 51 1.721 8.108 15.548 373 HG21 THR 51 1HG2 THR 51 1.175 6.688 13.486 374 HG22 THR 51 2HG2 THR 51 2.903 6.679 13.085 375 HG23 THR 51 3HG2 THR 51 1.728 7.393 11.954 376 H ARG 52 H ARG 52 4.925 9.097 14.821 377 HA ARG 52 HA ARG 52 6.505 7.101 13.370 378 HB2 ARG 52 1HB ARG 52 7.283 9.473 12.601 379 HB3 ARG 52 2HB ARG 52 7.863 9.683 14.254 380 HG2 ARG 52 1HG ARG 52 9.746 9.012 12.998 381 HG3 ARG 52 2HG ARG 52 9.251 7.551 13.874 382 HD2 ARG 52 1HD ARG 52 8.075 6.733 11.870 383 HD3 ARG 52 2HD ARG 52 8.484 8.227 11.005 384 HE ARG 52 HE ARG 52 10.897 7.070 11.920 385 HH11 ARG 52 1HH1 ARG 52 8.362 6.329 9.576 386 HH12 ARG 52 2HH1 ARG 52 9.445 5.424 8.554 387 HH21 ARG 52 1HH2 ARG 52 12.225 5.923 10.549 388 HH22 ARG 52 2HH2 ARG 52 11.591 5.208 9.093 389 H ARG 53 H ARG 53 7.613 5.845 14.932 390 HA ARG 53 HA ARG 53 7.616 6.915 17.722 391 HB2 ARG 53 1HB ARG 53 5.801 5.299 17.476 392 HB3 ARG 53 2HB ARG 53 6.923 4.117 16.815 393 HG2 ARG 53 1HG ARG 53 7.623 5.154 19.509 394 HG3 ARG 53 2HG ARG 53 6.119 4.225 19.415 395 HD2 ARG 53 1HD ARG 53 7.814 2.651 17.919 396 HD3 ARG 53 2HD ARG 53 8.921 3.307 19.139 397 HE ARG 53 HE ARG 53 6.582 2.437 20.474 398 HH11 ARG 53 1HH1 ARG 53 9.225 0.950 18.660 399 HH12 ARG 53 2HH1 ARG 53 9.089 -0.557 19.526 400 HH21 ARG 53 1HH2 ARG 53 6.483 0.489 21.542 401 HH22 ARG 53 2HH2 ARG 53 7.564 -0.811 21.123 402 H ILE 54 H ILE 54 9.478 6.813 18.644 403 HA ILE 54 HA ILE 54 11.576 5.077 17.497 404 HB ILE 54 HB ILE 54 13.114 6.793 17.370 405 HG12 ILE 54 1HG1 ILE 54 12.986 7.579 19.670 406 HG13 ILE 54 2HG1 ILE 54 13.145 8.887 18.529 407 HG21 ILE 54 1HG2 ILE 54 12.190 8.701 16.198 408 HG22 ILE 54 2HG2 ILE 54 10.573 8.420 16.882 409 HG23 ILE 54 3HG2 ILE 54 11.292 7.238 15.751 410 HD11 ILE 54 1HD1 ILE 54 11.707 9.491 20.346 411 HD12 ILE 54 2HD1 ILE 54 10.649 8.118 19.992 412 HD13 ILE 54 3HD1 ILE 54 10.795 9.462 18.825 413 H ARG 55 H ARG 55 13.399 5.019 19.203 414 HA ARG 55 HA ARG 55 12.386 5.280 21.989 415 HB2 ARG 55 1HB ARG 55 11.995 2.895 21.203 416 HB3 ARG 55 2HB ARG 55 13.741 2.735 20.985 417 HG2 ARG 55 1HG ARG 55 12.859 3.736 23.649 418 HG3 ARG 55 2HG ARG 55 12.381 2.074 23.275 419 HD2 ARG 55 1HD ARG 55 15.236 3.051 22.975 420 HD3 ARG 55 2HD ARG 55 14.602 2.408 24.498 421 HE ARG 55 HE ARG 55 14.040 0.538 22.445 422 HH11 ARG 55 1HH1 ARG 55 16.832 1.802 24.195 423 HH12 ARG 55 2HH1 ARG 55 17.745 0.330 23.990 424 HH21 ARG 55 1HH2 ARG 55 15.270 -1.313 22.221 425 HH22 ARG 55 2HH2 ARG 55 16.874 -1.396 22.890 426 H GLY 56 H GLY 56 13.825 6.670 22.826 427 HA2 GLY 56 1HA GLY 56 16.457 6.990 21.638 428 HA3 GLY 56 2HA GLY 56 15.836 7.797 23.093 429 H GLY 57 H GLY 57 18.475 6.878 22.983 430 HA2 GLY 57 1HA GLY 57 18.776 4.219 24.006 431 HA3 GLY 57 2HA GLY 57 19.976 5.526 24.117 432 H ASP 58 H ASP 58 18.207 7.358 25.461 433 HA ASP 58 HA ASP 58 18.513 6.364 28.196 434 HB2 ASP 58 1HB ASP 58 19.147 8.688 27.268 435 HB3 ASP 58 2HB ASP 58 17.423 9.051 27.339 436 H GLY 59 H GLY 59 16.329 5.522 26.128 437 HA2 GLY 59 1HA GLY 59 14.410 4.335 26.647 438 HA3 GLY 59 2HA GLY 59 14.373 5.087 28.240 439 H LYS 60 H LYS 60 14.614 7.645 26.217 440 HA LYS 60 HA LYS 60 11.866 8.347 26.691 441 HB2 LYS 60 1HB LYS 60 14.110 9.614 25.122 442 HB3 LYS 60 2HB LYS 60 12.472 10.302 25.131 443 HG2 LYS 60 1HG LYS 60 12.960 11.356 27.047 444 HG3 LYS 60 2HG LYS 60 13.075 9.772 27.835 445 HD2 LYS 60 1HD LYS 60 15.487 9.746 26.828 446 HD3 LYS 60 2HD LYS 60 15.264 11.503 26.718 447 HE2 LYS 60 1HE LYS 60 15.089 9.760 29.209 448 HE3 LYS 60 2HE LYS 60 16.363 10.910 28.805 449 HZ1 LYS 60 1HZ LYS 60 14.881 11.816 30.421 450 HZ2 LYS 60 2HZ LYS 60 13.576 11.624 29.430 451 HZ3 LYS 60 3HZ LYS 60 14.769 12.695 29.031 452 H MET 61 H MET 61 10.142 7.896 25.652 453 HA MET 61 HA MET 61 10.263 6.650 22.981 454 HB2 MET 61 1HB MET 61 7.951 7.216 24.886 455 HB3 MET 61 2HB MET 61 7.820 6.333 23.364 456 HG2 MET 61 1HG MET 61 9.363 5.495 25.838 457 HG3 MET 61 2HG MET 61 7.897 4.751 25.180 458 HE1 MET 61 1HE MET 61 8.709 4.690 21.911 459 HE2 MET 61 2HE MET 61 7.804 3.514 22.906 460 HE3 MET 61 3HE MET 61 9.217 2.986 21.957 461 H LYS 62 H LYS 62 8.529 7.413 21.401 462 HA LYS 62 HA LYS 62 8.896 10.270 20.973 463 HB2 LYS 62 1HB LYS 62 8.604 8.332 19.219 464 HB3 LYS 62 2HB LYS 62 6.879 8.574 19.463 465 HG2 LYS 62 1HG LYS 62 8.654 10.919 18.898 466 HG3 LYS 62 2HG LYS 62 8.179 9.850 17.569 467 HD2 LYS 62 1HD LYS 62 5.874 10.318 17.876 468 HD3 LYS 62 2HD LYS 62 6.164 11.003 19.471 469 HE2 LYS 62 1HE LYS 62 7.641 12.702 18.267 470 HE3 LYS 62 2HE LYS 62 6.722 12.204 16.819 471 HZ1 LYS 62 1HZ LYS 62 5.501 13.061 19.416 472 HZ2 LYS 62 2HZ LYS 62 4.657 12.654 18.065 473 HZ3 LYS 62 3HZ LYS 62 5.585 14.022 18.075 474 H ASP 63 H ASP 63 6.163 8.144 21.556 475 HA ASP 63 HA ASP 63 4.121 8.384 22.453 476 HB2 ASP 63 1HB ASP 63 5.919 9.463 24.200 477 HB3 ASP 63 2HB ASP 63 4.713 10.754 24.083 478 H LEU 64 H LEU 64 2.475 10.204 23.302 479 HA LEU 64 HA LEU 64 0.870 11.654 22.712 480 HB2 LEU 64 1HB LEU 64 3.307 12.956 21.841 481 HB3 LEU 64 2HB LEU 64 1.949 13.444 20.845 482 HG LEU 64 HG LEU 64 2.363 14.990 22.693 483 HD11 LEU 64 1HD1 LEU 64 0.096 15.190 23.553 484 HD12 LEU 64 2HD1 LEU 64 -0.267 13.510 23.112 485 HD13 LEU 64 3HD1 LEU 64 0.044 14.720 21.842 486 HD21 LEU 64 1HD2 LEU 64 2.015 14.394 25.018 487 HD22 LEU 64 2HD2 LEU 64 3.260 13.334 24.325 488 HD23 LEU 64 3HD2 LEU 64 1.609 12.721 24.581 489 H SER 65 H SER 65 -0.379 12.743 20.927 490 HA SER 65 HA SER 65 -1.328 10.645 19.240 491 HB2 SER 65 1HB SER 65 -2.529 12.997 18.414 492 HB3 SER 65 2HB SER 65 -3.070 11.981 19.773 493 HG SER 65 HG SER 65 -2.580 14.353 20.106 494 HA PRO 66 HA PRO 66 0.655 11.530 15.413 495 HB2 PRO 66 1HB PRO 66 -1.259 11.160 13.519 496 HB3 PRO 66 2HB PRO 66 -0.650 9.798 14.510 497 HG2 PRO 66 1HG PRO 66 -3.102 11.481 14.938 498 HG3 PRO 66 2HG PRO 66 -2.965 9.695 14.847 499 HD2 PRO 66 1HD PRO 66 -2.998 10.968 17.215 500 HD3 PRO 66 2HD PRO 66 -1.922 9.553 16.948 501 H ARG 67 H ARG 67 0.688 12.964 13.495 502 HA ARG 67 HA ARG 67 -0.860 15.493 13.968 503 HB2 ARG 67 1HB ARG 67 1.783 15.389 12.521 504 HB3 ARG 67 2HB ARG 67 1.002 16.753 13.326 505 HG2 ARG 67 1HG ARG 67 1.418 15.465 15.514 506 HG3 ARG 67 2HG ARG 67 2.495 14.444 14.534 507 HD2 ARG 67 1HD ARG 67 3.976 16.009 15.328 508 HD3 ARG 67 2HD ARG 67 3.522 16.722 13.771 509 HE ARG 67 HE ARG 67 1.744 17.710 15.769 510 HH11 ARG 67 1HH1 ARG 67 5.160 18.049 14.891 511 HH12 ARG 67 2HH1 ARG 67 5.267 19.642 15.626 512 HH21 ARG 67 1HH2 ARG 67 2.003 19.705 16.699 513 HH22 ARG 67 2HH2 ARG 67 3.554 20.528 16.641 514 H TRP 68 H TRP 68 -1.117 16.746 11.882 515 HA TRP 68 HA TRP 68 -1.308 14.895 9.531 516 HB2 TRP 68 1HB TRP 68 -3.289 16.973 10.502 517 HB3 TRP 68 2HB TRP 68 -3.338 16.244 8.896 518 HD1 TRP 68 HD1 TRP 68 -3.610 15.138 12.611 519 HE1 TRP 68 HE1 TRP 68 -5.149 13.116 12.788 520 HE3 TRP 68 HE3 TRP 68 -4.372 14.385 7.613 521 HZ2 TRP 68 HZ2 TRP 68 -6.556 11.449 10.998 522 HZ3 TRP 68 HZ3 TRP 68 -5.891 12.532 6.896 523 HH2 TRP 68 HH2 TRP 68 -6.986 11.076 8.609 524 H TYR 69 H TYR 69 -0.729 15.794 7.574 525 HA TYR 69 HA TYR 69 0.245 18.645 7.638 526 HB2 TYR 69 1HB TYR 69 1.439 16.174 6.319 527 HB3 TYR 69 2HB TYR 69 1.919 17.825 5.923 528 HD1 TYR 69 HD1 TYR 69 1.824 15.355 8.794 529 HD2 TYR 69 HD2 TYR 69 3.548 18.990 7.220 530 HE1 TYR 69 HE1 TYR 69 3.548 15.334 10.589 531 HE2 TYR 69 HE2 TYR 69 5.267 18.935 9.016 532 HH TYR 69 HH TYR 69 6.085 17.823 10.837 533 H PHE 70 H PHE 70 -0.199 19.790 5.636 534 HA PHE 70 HA PHE 70 -2.439 18.568 4.139 535 HB2 PHE 70 1HB PHE 70 -2.799 20.806 5.103 536 HB3 PHE 70 2HB PHE 70 -1.413 21.425 4.199 537 HD1 PHE 70 HD1 PHE 70 -1.724 22.309 2.021 538 HD2 PHE 70 HD2 PHE 70 -4.736 19.743 3.712 539 HE1 PHE 70 HE1 PHE 70 -3.226 22.802 0.089 540 HE2 PHE 70 HE2 PHE 70 -6.243 20.238 1.786 541 HZ PHE 70 HZ PHE 70 -5.488 21.767 -0.025 542 H TYR 71 H TYR 71 -2.390 18.210 2.000 543 HA TYR 71 HA TYR 71 0.100 18.840 0.498 544 HB2 TYR 71 1HB TYR 71 -0.921 16.232 1.465 545 HB3 TYR 71 2HB TYR 71 -0.430 16.265 -0.249 546 HD1 TYR 71 HD1 TYR 71 0.689 16.316 3.246 547 HD2 TYR 71 HD2 TYR 71 1.958 16.813 -0.835 548 HE1 TYR 71 HE1 TYR 71 3.070 16.070 3.952 549 HE2 TYR 71 HE2 TYR 71 4.338 16.585 -0.122 550 HH TYR 71 HH TYR 71 5.778 16.241 1.597 551 H TYR 72 H TYR 72 -0.324 19.180 -1.655 552 HA TYR 72 HA TYR 72 -2.999 19.780 -2.462 553 HB2 TYR 72 1HB TYR 72 -0.562 19.377 -4.162 554 HB3 TYR 72 2HB TYR 72 -2.075 20.180 -4.595 555 HD1 TYR 72 HD1 TYR 72 1.188 20.611 -3.193 556 HD2 TYR 72 HD2 TYR 72 -2.799 22.235 -3.204 557 HE1 TYR 72 HE1 TYR 72 2.044 22.754 -2.322 558 HE2 TYR 72 HE2 TYR 72 -1.920 24.373 -2.329 559 HH TYR 72 HH TYR 72 -0.063 25.602 -1.864 560 H LEU 73 H LEU 73 -4.176 18.889 -4.253 561 HA LEU 73 HA LEU 73 -4.439 16.047 -4.304 562 HB2 LEU 73 1HB LEU 73 -6.263 17.452 -5.006 563 HB3 LEU 73 2HB LEU 73 -5.254 18.292 -6.171 564 HG LEU 73 HG LEU 73 -5.256 16.398 -7.644 565 HD11 LEU 73 1HD1 LEU 73 -5.406 14.520 -6.029 566 HD12 LEU 73 2HD1 LEU 73 -6.640 14.409 -7.284 567 HD13 LEU 73 3HD1 LEU 73 -7.073 14.997 -5.665 568 HD21 LEU 73 1HD2 LEU 73 -8.044 16.962 -6.769 569 HD22 LEU 73 2HD2 LEU 73 -7.497 16.426 -8.370 570 HD23 LEU 73 3HD2 LEU 73 -7.036 18.031 -7.773 571 H GLY 74 H GLY 74 -3.400 14.478 -5.464 572 HA2 GLY 74 1HA GLY 74 -2.088 13.536 -7.110 573 HA3 GLY 74 2HA GLY 74 -2.038 15.097 -7.923 574 H THR 75 H THR 75 -0.848 14.511 -4.591 575 HA THR 75 HA THR 75 1.892 15.072 -5.654 576 HB THR 75 HB THR 75 2.410 15.725 -3.251 577 HG1 THR 75 HG1 THR 75 -0.397 16.036 -2.963 578 HG21 THR 75 1HG2 THR 75 2.070 17.455 -4.916 579 HG22 THR 75 2HG2 THR 75 1.281 17.934 -3.400 580 HG23 THR 75 3HG2 THR 75 0.303 17.320 -4.752 581 H GLY 76 H GLY 76 3.651 13.933 -4.753 582 HA2 GLY 76 1HA GLY 76 4.536 12.141 -3.404 583 HA3 GLY 76 2HA GLY 76 2.953 11.339 -3.442 584 HA PRO 77 HA PRO 77 5.716 10.589 -7.301 585 HB2 PRO 77 1HB PRO 77 7.346 8.466 -6.720 586 HB3 PRO 77 2HB PRO 77 7.780 10.159 -6.371 587 HG2 PRO 77 1HG PRO 77 6.617 8.127 -4.499 588 HG3 PRO 77 2HG PRO 77 8.051 9.177 -4.274 589 HD2 PRO 77 1HD PRO 77 5.635 9.848 -3.263 590 HD3 PRO 77 2HD PRO 77 6.745 11.093 -3.937 591 H GLU 78 H GLU 78 4.638 8.019 -5.128 592 HA GLU 78 HA GLU 78 3.594 6.484 -7.479 593 HB2 GLU 78 1HB GLU 78 3.953 4.473 -6.138 594 HB3 GLU 78 2HB GLU 78 5.451 5.398 -6.276 595 HG2 GLU 78 1HG GLU 78 4.913 6.402 -3.987 596 HG3 GLU 78 2HG GLU 78 3.632 5.189 -3.854 597 H ALA 79 H ALA 79 2.406 8.676 -5.637 598 HA ALA 79 HA ALA 79 0.531 7.379 -3.926 599 HB1 ALA 79 1HB ALA 79 0.461 10.161 -5.184 600 HB2 ALA 79 2HB ALA 79 1.142 9.723 -3.601 601 HB3 ALA 79 3HB ALA 79 -0.609 9.603 -3.875 602 H GLY 80 H GLY 80 0.084 8.826 -7.184 603 HA2 GLY 80 1HA GLY 80 -1.516 8.453 -8.791 604 HA3 GLY 80 2HA GLY 80 -1.586 6.803 -8.163 605 H LEU 81 H LEU 81 -2.517 9.561 -6.145 606 HA LEU 81 HA LEU 81 -5.150 8.327 -5.913 607 HB2 LEU 81 1HB LEU 81 -3.673 10.452 -4.361 608 HB3 LEU 81 2HB LEU 81 -5.327 10.001 -4.065 609 HG LEU 81 HG LEU 81 -2.979 8.166 -3.732 610 HD11 LEU 81 1HD1 LEU 81 -4.694 9.456 -1.587 611 HD12 LEU 81 2HD1 LEU 81 -3.126 10.105 -2.124 612 HD13 LEU 81 3HD1 LEU 81 -3.209 8.505 -1.374 613 HD21 LEU 81 1HD2 LEU 81 -5.860 7.757 -2.840 614 HD22 LEU 81 2HD2 LEU 81 -4.513 6.617 -2.678 615 HD23 LEU 81 3HD2 LEU 81 -5.145 6.998 -4.285 616 HA PRO 82 HA PRO 82 -6.948 11.843 -8.114 617 HB2 PRO 82 1HB PRO 82 -9.368 10.686 -8.573 618 HB3 PRO 82 2HB PRO 82 -7.922 10.235 -9.536 619 HG2 PRO 82 1HG PRO 82 -9.149 8.838 -7.177 620 HG3 PRO 82 2HG PRO 82 -8.583 8.153 -8.725 621 HD2 PRO 82 1HD PRO 82 -7.118 8.093 -6.455 622 HD3 PRO 82 2HD PRO 82 -6.386 8.154 -8.085 623 H TYR 83 H TYR 83 -8.945 13.150 -7.503 624 HA TYR 83 HA TYR 83 -9.019 13.518 -4.683 625 HB2 TYR 83 1HB TYR 83 -9.507 15.244 -6.423 626 HB3 TYR 83 2HB TYR 83 -11.036 14.430 -6.762 627 HD1 TYR 83 HD1 TYR 83 -9.112 16.341 -4.207 628 HD2 TYR 83 HD2 TYR 83 -12.944 14.705 -5.276 629 HE1 TYR 83 HE1 TYR 83 -10.182 17.647 -2.386 630 HE2 TYR 83 HE2 TYR 83 -14.010 16.030 -3.449 631 HH TYR 83 HH TYR 83 -13.704 17.536 -1.781 632 H GLY 84 H GLY 84 -10.241 12.648 -3.113 633 HA2 GLY 84 1HA GLY 84 -12.193 11.726 -2.191 634 HA3 GLY 84 2HA GLY 84 -12.786 11.330 -3.805 635 H ALA 85 H ALA 85 -9.665 10.210 -3.835 636 HA ALA 85 HA ALA 85 -10.466 7.482 -3.682 637 HB1 ALA 85 1HB ALA 85 -7.738 8.760 -3.517 638 HB2 ALA 85 2HB ALA 85 -8.574 8.174 -4.969 639 HB3 ALA 85 3HB ALA 85 -8.046 7.016 -3.730 640 H ASN 86 H ASN 86 -10.612 6.037 -2.084 641 HA ASN 86 HA ASN 86 -10.359 6.985 0.656 642 HB2 ASN 86 1HB ASN 86 -12.156 5.426 -0.241 643 HB3 ASN 86 2HB ASN 86 -10.920 4.160 -0.328 644 HD21 ASN 86 1HD2 ASN 86 -12.908 4.540 3.014 645 HD22 ASN 86 2HD2 ASN 86 -13.441 4.963 1.404 646 H LYS 87 H LYS 87 -8.616 6.841 1.931 647 HA LYS 87 HA LYS 87 -6.843 4.519 1.778 648 HB2 LYS 87 1HB LYS 87 -5.897 6.059 0.083 649 HB3 LYS 87 2HB LYS 87 -5.814 7.331 1.277 650 HG2 LYS 87 1HG LYS 87 -4.012 6.386 2.410 651 HG3 LYS 87 2HG LYS 87 -4.395 4.737 1.863 652 HD2 LYS 87 1HD LYS 87 -3.447 6.913 0.007 653 HD3 LYS 87 2HD LYS 87 -2.328 5.836 0.850 654 HE2 LYS 87 1HE LYS 87 -4.589 4.802 -0.902 655 HE3 LYS 87 2HE LYS 87 -2.985 5.188 -1.553 656 HZ1 LYS 87 1HZ LYS 87 -3.541 3.188 0.556 657 HZ2 LYS 87 2HZ LYS 87 -2.048 3.547 -0.049 658 HZ3 LYS 87 3HZ LYS 87 -3.186 2.855 -1.020 659 H ASP 88 H ASP 88 -5.630 4.327 3.712 660 HA ASP 88 HA ASP 88 -6.905 5.377 6.045 661 HB2 ASP 88 1HB ASP 88 -5.648 3.242 6.029 662 HB3 ASP 88 2HB ASP 88 -4.146 4.133 5.724 663 H GLY 89 H GLY 89 -6.593 7.184 7.183 664 HA2 GLY 89 1HA GLY 89 -5.592 9.096 7.981 665 HA3 GLY 89 2HA GLY 89 -4.055 8.511 7.329 666 H ILE 90 H ILE 90 -6.819 8.931 5.182 667 HA ILE 90 HA ILE 90 -5.617 11.486 4.207 668 HB ILE 90 HB ILE 90 -6.711 9.205 2.477 669 HG12 ILE 90 1HG1 ILE 90 -4.473 8.704 3.376 670 HG13 ILE 90 2HG1 ILE 90 -4.467 8.918 1.633 671 HG21 ILE 90 1HG2 ILE 90 -5.812 10.695 0.574 672 HG22 ILE 90 2HG2 ILE 90 -5.700 12.004 1.778 673 HG23 ILE 90 3HG2 ILE 90 -7.272 11.278 1.396 674 HD11 ILE 90 1HD1 ILE 90 -2.546 9.898 2.957 675 HD12 ILE 90 2HD1 ILE 90 -3.685 11.179 3.452 676 HD13 ILE 90 3HD1 ILE 90 -3.319 10.921 1.729 677 H ILE 91 H ILE 91 -6.994 13.083 4.077 678 HA ILE 91 HA ILE 91 -9.896 12.447 3.685 679 HB ILE 91 HB ILE 91 -10.434 14.451 5.143 680 HG12 ILE 91 1HG1 ILE 91 -8.003 14.207 6.760 681 HG13 ILE 91 2HG1 ILE 91 -7.647 14.805 5.157 682 HG21 ILE 91 1HG2 ILE 91 -10.314 13.203 7.254 683 HG22 ILE 91 2HG2 ILE 91 -9.087 12.107 6.570 684 HG23 ILE 91 3HG2 ILE 91 -10.744 12.106 5.923 685 HD11 ILE 91 1HD1 ILE 91 -8.124 16.633 6.725 686 HD12 ILE 91 2HD1 ILE 91 -9.764 15.990 6.974 687 HD13 ILE 91 3HD1 ILE 91 -9.260 16.594 5.368 688 H TRP 92 H TRP 92 -10.552 13.263 1.823 689 HA TRP 92 HA TRP 92 -8.974 15.332 0.506 690 HB2 TRP 92 1HB TRP 92 -11.458 13.794 -0.298 691 HB3 TRP 92 2HB TRP 92 -10.619 14.959 -1.337 692 HD1 TRP 92 HD1 TRP 92 -10.354 11.427 -0.027 693 HE1 TRP 92 HE1 TRP 92 -8.365 10.224 -1.023 694 HE3 TRP 92 HE3 TRP 92 -8.177 15.474 -2.262 695 HZ2 TRP 92 HZ2 TRP 92 -6.056 10.941 -2.532 696 HZ3 TRP 92 HZ3 TRP 92 -6.042 15.140 -3.495 697 HH2 TRP 92 HH2 TRP 92 -4.990 12.880 -3.634 698 H VAL 93 H VAL 93 -9.364 17.401 0.250 699 HA VAL 93 HA VAL 93 -12.046 18.497 0.910 700 HB VAL 93 HB VAL 93 -10.693 20.371 2.170 701 HG11 VAL 93 1HG1 VAL 93 -11.124 17.655 3.463 702 HG12 VAL 93 2HG1 VAL 93 -12.350 18.932 3.261 703 HG13 VAL 93 3HG1 VAL 93 -10.947 19.206 4.313 704 HG21 VAL 93 1HG2 VAL 93 -8.647 19.723 3.244 705 HG22 VAL 93 2HG2 VAL 93 -8.438 19.283 1.540 706 HG23 VAL 93 3HG2 VAL 93 -8.818 18.027 2.741 707 H ALA 94 H ALA 94 -12.377 20.610 0.006 708 HA ALA 94 HA ALA 94 -10.356 21.767 -1.773 709 HB1 ALA 94 1HB ALA 94 -11.412 19.952 -3.208 710 HB2 ALA 94 2HB ALA 94 -11.776 21.590 -3.794 711 HB3 ALA 94 3HB ALA 94 -13.004 20.678 -2.885 712 H THR 95 H THR 95 -11.400 23.859 -2.617 713 HA THR 95 HA THR 95 -13.706 24.706 -0.909 714 HB THR 95 HB THR 95 -11.521 25.834 -0.223 715 HG1 THR 95 HG1 THR 95 -12.538 28.024 -0.637 716 HG21 THR 95 1HG2 THR 95 -11.769 27.254 -2.899 717 HG22 THR 95 2HG2 THR 95 -10.585 25.970 -2.575 718 HG23 THR 95 3HG2 THR 95 -10.521 27.483 -1.654 719 H GLU 96 H GLU 96 -14.825 26.612 -2.142 720 HA GLU 96 HA GLU 96 -15.520 25.592 -4.713 721 HB2 GLU 96 1HB GLU 96 -17.018 26.897 -3.203 722 HB3 GLU 96 2HB GLU 96 -16.059 28.345 -3.534 723 HG2 GLU 96 1HG GLU 96 -18.112 28.251 -4.883 724 HG3 GLU 96 2HG GLU 96 -16.652 28.243 -5.882 725 H GLY 97 H GLY 97 -14.905 26.134 -6.724 726 HA2 GLY 97 1HA GLY 97 -13.877 27.435 -8.393 727 HA3 GLY 97 2HA GLY 97 -13.120 28.448 -7.157 728 H ALA 98 H ALA 98 -12.500 25.430 -6.055 729 HA ALA 98 HA ALA 98 -9.784 25.510 -7.076 730 HB1 ALA 98 1HB ALA 98 -10.446 24.873 -4.752 731 HB2 ALA 98 2HB ALA 98 -9.381 23.718 -5.578 732 HB3 ALA 98 3HB ALA 98 -11.126 23.371 -5.426 733 H LEU 99 H LEU 99 -8.868 24.225 -8.668 734 HA LEU 99 HA LEU 99 -10.812 22.762 -10.347 735 HB2 LEU 99 1HB LEU 99 -7.931 23.559 -10.700 736 HB3 LEU 99 2HB LEU 99 -8.703 22.411 -11.775 737 HG LEU 99 HG LEU 99 -9.558 25.297 -11.403 738 HD11 LEU 99 1HD1 LEU 99 -8.638 25.516 -13.692 739 HD12 LEU 99 2HD1 LEU 99 -8.119 23.813 -13.637 740 HD13 LEU 99 3HD1 LEU 99 -7.395 25.008 -12.530 741 HD21 LEU 99 1HD2 LEU 99 -10.961 24.848 -13.429 742 HD22 LEU 99 2HD2 LEU 99 -11.503 23.953 -12.001 743 HD23 LEU 99 3HD2 LEU 99 -10.581 23.116 -13.277 744 H ASN 100 H ASN 100 -10.901 20.701 -10.709 745 HA ASN 100 HA ASN 100 -9.546 18.913 -8.823 746 HB2 ASN 100 1HB ASN 100 -11.987 18.744 -9.414 747 HB3 ASN 100 2HB ASN 100 -11.514 18.243 -11.043 748 HD21 ASN 100 1HD2 ASN 100 -11.992 15.031 -9.639 749 HD22 ASN 100 2HD2 ASN 100 -12.754 16.317 -10.541 750 H THR 101 H THR 101 -7.431 19.594 -9.856 751 HA THR 101 HA THR 101 -6.672 17.526 -11.853 752 HB THR 101 HB THR 101 -7.193 19.982 -12.847 753 HG1 THR 101 HG1 THR 101 -5.703 19.504 -14.465 754 HG21 THR 101 1HG2 THR 101 -5.249 21.393 -12.981 755 HG22 THR 101 2HG2 THR 101 -4.268 20.217 -12.069 756 HG23 THR 101 3HG2 THR 101 -5.601 21.093 -11.267 757 HA PRO 102 HA PRO 102 -3.398 17.191 -8.944 758 HB2 PRO 102 1HB PRO 102 -1.193 16.613 -10.473 759 HB3 PRO 102 2HB PRO 102 -2.512 15.433 -10.169 760 HG2 PRO 102 1HG PRO 102 -2.091 17.257 -12.523 761 HG3 PRO 102 2HG PRO 102 -2.438 15.498 -12.503 762 HD2 PRO 102 1HD PRO 102 -4.380 17.265 -12.916 763 HD3 PRO 102 2HD PRO 102 -4.664 15.823 -11.886 764 H LYS 103 H LYS 103 -1.732 18.254 -7.931 765 HA LYS 103 HA LYS 103 -0.668 20.726 -9.277 766 HB2 LYS 103 1HB LYS 103 -1.194 20.419 -6.347 767 HB3 LYS 103 2HB LYS 103 -0.830 21.880 -7.203 768 HG2 LYS 103 1HG LYS 103 -3.383 20.322 -7.347 769 HG3 LYS 103 2HG LYS 103 -3.140 21.785 -6.415 770 HD2 LYS 103 1HD LYS 103 -2.793 23.083 -8.457 771 HD3 LYS 103 2HD LYS 103 -2.978 21.619 -9.449 772 HE2 LYS 103 1HE LYS 103 -5.250 21.304 -8.613 773 HE3 LYS 103 2HE LYS 103 -5.073 22.695 -7.545 774 HZ1 LYS 103 1HZ LYS 103 -5.084 22.784 -10.491 775 HZ2 LYS 103 2HZ LYS 103 -4.844 24.095 -9.520 776 HZ3 LYS 103 3HZ LYS 103 -6.282 23.304 -9.482 777 H ASP 104 H ASP 104 0.575 18.132 -9.229 778 HA ASP 104 HA ASP 104 2.283 17.555 -7.113 779 HB2 ASP 104 1HB ASP 104 3.647 16.371 -8.730 780 HB3 ASP 104 2HB ASP 104 1.946 16.181 -9.179 781 H HIS 105 H HIS 105 2.807 19.837 -9.774 782 HA HIS 105 HA HIS 105 5.503 20.498 -9.119 783 HB2 HIS 105 1HB HIS 105 5.270 22.213 -10.754 784 HB3 HIS 105 2HB HIS 105 4.314 20.830 -11.308 785 HD1 HIS 105 HD1 HIS 105 4.056 24.431 -10.297 786 HD2 HIS 105 HD2 HIS 105 1.444 21.254 -11.119 787 HE1 HIS 105 HE1 HIS 105 1.735 25.441 -10.638 788 H ILE 106 H ILE 106 2.672 21.405 -7.384 789 HA ILE 106 HA ILE 106 3.879 23.980 -6.543 790 HB ILE 106 HB ILE 106 1.237 22.718 -5.585 791 HG12 ILE 106 1HG1 ILE 106 1.753 24.778 -7.770 792 HG13 ILE 106 2HG1 ILE 106 1.194 23.116 -8.011 793 HG21 ILE 106 1HG2 ILE 106 2.322 24.548 -4.121 794 HG22 ILE 106 2HG2 ILE 106 0.756 25.020 -4.775 795 HG23 ILE 106 3HG2 ILE 106 2.248 25.647 -5.510 796 HD11 ILE 106 1HD1 ILE 106 -0.785 24.286 -8.112 797 HD12 ILE 106 2HD1 ILE 106 -0.287 25.467 -6.872 798 HD13 ILE 106 3HD1 ILE 106 -0.754 23.806 -6.385 799 H GLY 107 H GLY 107 3.364 20.654 -5.446 800 HA2 GLY 107 1HA GLY 107 3.957 21.210 -2.673 801 HA3 GLY 107 2HA GLY 107 3.873 19.625 -3.440 802 H THR 108 H THR 108 6.057 21.815 -4.926 803 HA THR 108 HA THR 108 8.311 20.122 -4.163 804 HB THR 108 HB THR 108 7.904 20.897 -6.508 805 HG1 THR 108 HG1 THR 108 10.298 21.710 -5.213 806 HG21 THR 108 1HG2 THR 108 8.392 23.189 -7.174 807 HG22 THR 108 2HG2 THR 108 8.733 23.654 -5.497 808 HG23 THR 108 3HG2 THR 108 7.082 23.206 -5.980 809 H ARG 109 H ARG 109 7.121 22.031 -2.042 810 HA ARG 109 HA ARG 109 9.016 24.155 -1.673 811 HB2 ARG 109 1HB ARG 109 6.843 23.969 -0.394 812 HB3 ARG 109 2HB ARG 109 7.565 22.643 0.529 813 HG2 ARG 109 1HG ARG 109 9.409 24.230 1.237 814 HG3 ARG 109 2HG ARG 109 8.528 25.532 0.437 815 HD2 ARG 109 1HD ARG 109 8.071 25.600 2.808 816 HD3 ARG 109 2HD ARG 109 6.608 25.122 1.949 817 HE ARG 109 HE ARG 109 6.678 23.028 2.948 818 HH11 ARG 109 1HH1 ARG 109 9.716 24.707 3.744 819 HH12 ARG 109 2HH1 ARG 109 10.099 23.540 4.976 820 HH21 ARG 109 1HH2 ARG 109 7.237 21.662 4.525 821 HH22 ARG 109 2HH2 ARG 109 8.746 21.838 5.400 822 H ASN 110 H ASN 110 11.083 24.106 -1.145 823 HA ASN 110 HA ASN 110 12.224 21.529 -0.188 824 HB2 ASN 110 1HB ASN 110 13.234 23.860 -1.764 825 HB3 ASN 110 2HB ASN 110 14.381 23.121 -0.644 826 HD21 ASN 110 1HD2 ASN 110 14.651 21.451 -3.953 827 HD22 ASN 110 2HD2 ASN 110 14.781 23.099 -3.393 828 HA PRO 111 HA PRO 111 12.070 23.621 3.690 829 HB2 PRO 111 1HB PRO 111 13.476 21.904 5.284 830 HB3 PRO 111 2HB PRO 111 11.835 21.525 4.666 831 HG2 PRO 111 1HG PRO 111 14.505 20.703 3.534 832 HG3 PRO 111 2HG PRO 111 13.090 19.678 3.937 833 HD2 PRO 111 1HD PRO 111 13.514 20.523 1.419 834 HD3 PRO 111 2HD PRO 111 11.850 20.469 2.100 835 H ALA 112 H ALA 112 15.068 22.845 2.090 836 HA ALA 112 HA ALA 112 16.779 24.313 3.917 837 HB1 ALA 112 1HB ALA 112 17.649 22.504 2.459 838 HB2 ALA 112 2HB ALA 112 18.455 24.051 2.107 839 HB3 ALA 112 3HB ALA 112 17.192 23.443 1.011 840 H ASN 113 H ASN 113 14.690 25.096 1.233 841 HA ASN 113 HA ASN 113 16.029 27.718 0.845 842 HB2 ASN 113 1HB ASN 113 13.885 26.295 -0.776 843 HB3 ASN 113 2HB ASN 113 14.603 27.861 -1.179 844 HD21 ASN 113 1HD2 ASN 113 16.285 24.992 -2.973 845 HD22 ASN 113 2HD2 ASN 113 14.599 25.379 -2.706 846 H ASN 114 H ASN 114 13.059 26.297 2.109 847 HA ASN 114 HA ASN 114 12.237 28.984 2.987 848 HB2 ASN 114 1HB ASN 114 11.145 28.915 0.863 849 HB3 ASN 114 2HB ASN 114 10.539 27.268 1.153 850 HD21 ASN 114 1HD2 ASN 114 7.722 28.339 2.828 851 HD22 ASN 114 2HD2 ASN 114 8.561 27.141 1.871 852 H ALA 115 H ALA 115 10.903 29.034 4.719 853 HA ALA 115 HA ALA 115 10.737 26.539 6.272 854 HB1 ALA 115 1HB ALA 115 10.049 28.040 8.111 855 HB2 ALA 115 2HB ALA 115 9.980 29.408 6.977 856 HB3 ALA 115 3HB ALA 115 11.540 28.624 7.335 857 H ALA 116 H ALA 116 8.821 25.692 7.131 858 HA ALA 116 HA ALA 116 6.521 25.774 5.438 859 HB1 ALA 116 1HB ALA 116 5.500 24.296 7.102 860 HB2 ALA 116 2HB ALA 116 6.782 24.682 8.273 861 HB3 ALA 116 3HB ALA 116 7.169 23.781 6.786 862 H ILE 117 H ILE 117 4.556 26.695 5.690 863 HA ILE 117 HA ILE 117 4.463 29.181 7.244 864 HB ILE 117 HB ILE 117 2.397 27.848 5.439 865 HG12 ILE 117 1HG1 ILE 117 4.128 30.167 4.599 866 HG13 ILE 117 2HG1 ILE 117 4.746 28.527 4.467 867 HG21 ILE 117 1HG2 ILE 117 2.648 30.745 6.386 868 HG22 ILE 117 2HG2 ILE 117 1.391 29.587 6.882 869 HG23 ILE 117 3HG2 ILE 117 1.455 30.152 5.209 870 HD11 ILE 117 1HD1 ILE 117 3.793 29.164 2.372 871 HD12 ILE 117 2HD1 ILE 117 2.249 29.581 3.147 872 HD13 ILE 117 3HD1 ILE 117 2.798 27.886 3.103 873 H VAL 118 H VAL 118 3.158 29.492 9.124 874 HA VAL 118 HA VAL 118 2.166 27.212 10.573 875 HB VAL 118 HB VAL 118 1.401 30.177 10.787 876 HG11 VAL 118 1HG1 VAL 118 0.632 29.578 13.087 877 HG12 VAL 118 2HG1 VAL 118 0.899 27.862 12.708 878 HG13 VAL 118 3HG1 VAL 118 -0.331 28.792 11.820 879 HG21 VAL 118 1HG2 VAL 118 2.958 30.154 12.751 880 HG22 VAL 118 2HG2 VAL 118 3.787 29.840 11.214 881 HG23 VAL 118 3HG2 VAL 118 3.432 28.494 12.323 882 H LEU 119 H LEU 119 0.365 26.054 10.181 883 HA LEU 119 HA LEU 119 -1.247 26.644 7.884 884 HB2 LEU 119 1HB LEU 119 -0.701 24.387 8.938 885 HB3 LEU 119 2HB LEU 119 -1.925 24.736 10.152 886 HG LEU 119 HG LEU 119 -2.716 24.931 7.258 887 HD11 LEU 119 1HD1 LEU 119 -3.082 22.519 7.117 888 HD12 LEU 119 2HD1 LEU 119 -2.325 22.292 8.713 889 HD13 LEU 119 3HD1 LEU 119 -1.365 22.882 7.347 890 HD21 LEU 119 1HD2 LEU 119 -4.421 25.424 8.917 891 HD22 LEU 119 2HD2 LEU 119 -4.061 23.931 9.805 892 HD23 LEU 119 3HD2 LEU 119 -4.807 23.852 8.197 893 H GLN 120 H GLN 120 -3.019 27.791 7.646 894 HA GLN 120 HA GLN 120 -4.566 28.693 10.045 895 HB2 GLN 120 1HB GLN 120 -3.690 30.295 7.618 896 HB3 GLN 120 2HB GLN 120 -4.885 30.848 8.797 897 HG2 GLN 120 1HG GLN 120 -3.311 31.213 10.441 898 HG3 GLN 120 2HG GLN 120 -2.178 30.044 9.762 899 HE21 GLN 120 1HE2 GLN 120 -0.656 32.289 7.528 900 HE22 GLN 120 2HE2 GLN 120 -0.914 30.608 7.944 901 H LEU 121 H LEU 121 -6.796 28.980 9.571 902 HA LEU 121 HA LEU 121 -7.651 27.605 7.056 903 HB2 LEU 121 1HB LEU 121 -8.757 27.741 9.852 904 HB3 LEU 121 2HB LEU 121 -9.868 27.574 8.511 905 HG LEU 121 HG LEU 121 -7.676 25.594 9.199 906 HD11 LEU 121 1HD1 LEU 121 -9.662 24.194 9.825 907 HD12 LEU 121 2HD1 LEU 121 -10.688 25.621 9.587 908 HD13 LEU 121 3HD1 LEU 121 -9.443 25.626 10.852 909 HD21 LEU 121 1HD2 LEU 121 -8.890 24.111 7.584 910 HD22 LEU 121 2HD2 LEU 121 -8.141 25.509 6.799 911 HD23 LEU 121 3HD2 LEU 121 -9.890 25.501 7.100 912 HA PRO 122 HA PRO 122 -9.314 31.470 5.898 913 HB2 PRO 122 1HB PRO 122 -11.335 30.795 4.208 914 HB3 PRO 122 2HB PRO 122 -9.597 30.532 3.792 915 HG2 PRO 122 1HG PRO 122 -11.599 28.599 4.922 916 HG3 PRO 122 2HG PRO 122 -10.522 28.403 3.505 917 HD2 PRO 122 1HD PRO 122 -9.879 27.408 5.918 918 HD3 PRO 122 2HD PRO 122 -8.630 28.113 4.836 919 H GLN 123 H GLN 123 -11.230 32.847 5.963 920 HA GLN 123 HA GLN 123 -12.563 32.725 8.429 921 HB2 GLN 123 1HB GLN 123 -12.259 34.740 6.956 922 HB3 GLN 123 2HB GLN 123 -13.506 34.099 5.880 923 HG2 GLN 123 1HG GLN 123 -15.173 34.270 7.665 924 HG3 GLN 123 2HG GLN 123 -13.928 34.815 8.801 925 HE21 GLN 123 1HE2 GLN 123 -14.688 38.114 8.029 926 HE22 GLN 123 2HE2 GLN 123 -14.424 36.880 9.236 927 H GLY 124 H GLY 124 -14.328 31.719 9.163 928 HA2 GLY 124 1HA GLY 124 -16.513 30.801 8.943 929 HA3 GLY 124 2HA GLY 124 -16.224 30.520 7.220 930 H THR 125 H THR 125 -13.401 29.422 8.147 931 HA THR 125 HA THR 125 -14.488 26.728 8.863 932 HB THR 125 HB THR 125 -11.719 27.187 7.749 933 HG1 THR 125 HG1 THR 125 -13.138 28.211 6.315 934 HG21 THR 125 1HG2 THR 125 -12.388 24.921 8.590 935 HG22 THR 125 2HG2 THR 125 -12.090 24.935 6.841 936 HG23 THR 125 3HG2 THR 125 -13.751 24.928 7.461 937 H THR 126 H THR 126 -13.994 25.857 10.745 938 HA THR 126 HA THR 126 -11.715 26.969 12.321 939 HB THR 126 HB THR 126 -13.164 26.256 14.335 940 HG1 THR 126 HG1 THR 126 -15.366 26.164 13.925 941 HG21 THR 126 1HG2 THR 126 -14.356 28.388 14.378 942 HG22 THR 126 2HG2 THR 126 -14.114 28.583 12.626 943 HG23 THR 126 3HG2 THR 126 -12.714 28.604 13.730 944 H LEU 127 H LEU 127 -10.633 25.449 13.633 945 HA LEU 127 HA LEU 127 -10.404 22.857 12.392 946 HB2 LEU 127 1HB LEU 127 -9.445 23.831 15.085 947 HB3 LEU 127 2HB LEU 127 -8.910 22.361 14.314 948 HG LEU 127 HG LEU 127 -8.443 25.121 13.146 949 HD11 LEU 127 1HD1 LEU 127 -7.299 24.886 15.307 950 HD12 LEU 127 2HD1 LEU 127 -6.141 24.891 13.959 951 HD13 LEU 127 3HD1 LEU 127 -6.567 23.359 14.760 952 HD21 LEU 127 1HD2 LEU 127 -7.206 22.407 12.519 953 HD22 LEU 127 2HD2 LEU 127 -6.802 23.958 11.742 954 HD23 LEU 127 3HD2 LEU 127 -8.408 23.251 11.521 955 HA PRO 128 HA PRO 128 -13.498 20.798 14.740 956 HB2 PRO 128 1HB PRO 128 -12.683 18.192 14.735 957 HB3 PRO 128 2HB PRO 128 -13.270 19.024 13.263 958 HG2 PRO 128 1HG PRO 128 -10.501 18.451 14.139 959 HG3 PRO 128 2HG PRO 128 -11.234 18.319 12.522 960 HD2 PRO 128 1HD PRO 128 -9.666 20.436 13.380 961 HD3 PRO 128 2HD PRO 128 -10.888 20.576 12.085 962 H LYS 129 H LYS 129 -13.792 19.419 16.766 963 HA LYS 129 HA LYS 129 -12.467 20.771 18.844 964 HB2 LYS 129 1HB LYS 129 -14.693 19.630 18.974 965 HB3 LYS 129 2HB LYS 129 -13.851 18.075 19.061 966 HG2 LYS 129 1HG LYS 129 -12.746 18.782 21.147 967 HG3 LYS 129 2HG LYS 129 -13.540 20.365 21.038 968 HD2 LYS 129 1HD LYS 129 -15.745 19.244 21.168 969 HD3 LYS 129 2HD LYS 129 -14.920 17.680 21.353 970 HE2 LYS 129 1HE LYS 129 -13.815 18.499 23.406 971 HE3 LYS 129 2HE LYS 129 -14.609 20.077 23.211 972 HZ1 LYS 129 1HZ LYS 129 -15.789 18.680 24.785 973 HZ2 LYS 129 2HZ LYS 129 -16.013 17.504 23.650 974 HZ3 LYS 129 3HZ LYS 129 -16.743 18.972 23.472 975 H GLY 130 H GLY 130 -10.596 20.630 19.767 976 HA2 GLY 130 1HA GLY 130 -8.920 19.482 20.957 977 HA3 GLY 130 2HA GLY 130 -9.307 18.003 20.084 978 H PHE 131 H PHE 131 -9.087 20.199 17.630 979 HA PHE 131 HA PHE 131 -6.308 19.437 17.151 980 HB2 PHE 131 1HB PHE 131 -8.660 20.166 15.533 981 HB3 PHE 131 2HB PHE 131 -7.149 20.898 14.992 982 HD1 PHE 131 HD1 PHE 131 -5.277 19.544 14.239 983 HD2 PHE 131 HD2 PHE 131 -8.999 17.755 15.395 984 HE1 PHE 131 HE1 PHE 131 -4.612 17.431 13.088 985 HE2 PHE 131 HE2 PHE 131 -8.360 15.658 14.231 986 HZ PHE 131 HZ PHE 131 -6.167 15.498 13.080 987 H TYR 132 H TYR 132 -4.753 20.798 16.796 988 HA TYR 132 HA TYR 132 -5.219 23.711 16.800 989 HB2 TYR 132 1HB TYR 132 -3.532 24.183 18.459 990 HB3 TYR 132 2HB TYR 132 -4.777 23.157 19.170 991 HD1 TYR 132 HD1 TYR 132 -1.227 23.444 18.272 992 HD2 TYR 132 HD2 TYR 132 -4.269 20.720 19.658 993 HE1 TYR 132 HE1 TYR 132 0.534 21.877 19.087 994 HE2 TYR 132 HE2 TYR 132 -2.500 19.169 20.471 995 HH TYR 132 HH TYR 132 -0.265 18.825 20.761 996 H ALA 133 H ALA 133 -3.260 24.872 16.029 997 HA ALA 133 HA ALA 133 -1.859 23.173 14.033 998 HB1 ALA 133 1HB ALA 133 -2.258 26.198 14.119 999 HB2 ALA 133 2HB ALA 133 -3.221 25.060 13.152 1000 HB3 ALA 133 3HB ALA 133 -1.492 25.285 12.802 1001 H GLU 134 H GLU 134 0.331 23.143 13.809 1002 HA GLU 134 HA GLU 134 1.915 23.796 16.149 1003 HB2 GLU 134 1HB GLU 134 2.479 21.912 14.694 1004 HB3 GLU 134 2HB GLU 134 2.593 22.977 13.313 1005 HG2 GLU 134 1HG GLU 134 4.805 22.589 13.803 1006 HG3 GLU 134 2HG GLU 134 4.527 24.129 14.628 1007 H GLY 135 H GLY 135 2.996 25.648 16.583 1008 HA2 GLY 135 1HA GLY 135 4.134 27.645 16.055 1009 HA3 GLY 135 2HA GLY 135 3.496 27.586 14.408 1010 H SER 136 H SER 136 0.766 26.984 16.021 1011 HA SER 136 HA SER 136 0.052 29.849 16.180 1012 HB2 SER 136 1HB SER 136 -1.504 28.356 14.977 1013 HB3 SER 136 2HB SER 136 -1.647 27.330 16.424 1014 HG SER 136 HG SER 136 -3.331 29.017 16.075 1015 H ARG 137 H ARG 137 -0.595 30.781 18.065 1016 HA ARG 137 HA ARG 137 0.405 29.577 20.539 1017 HB2 ARG 137 1HB ARG 137 0.489 32.053 19.873 1018 HB3 ARG 137 2HB ARG 137 -1.236 32.127 20.238 1019 HG2 ARG 137 1HG ARG 137 0.512 30.985 22.369 1020 HG3 ARG 137 2HG ARG 137 0.740 32.707 22.016 1021 HD2 ARG 137 1HD ARG 137 -1.619 33.159 22.428 1022 HD3 ARG 137 2HD ARG 137 -1.943 31.430 22.642 1023 HE ARG 137 HE ARG 137 0.091 32.443 24.452 1024 HH11 ARG 137 1HH1 ARG 137 -3.384 31.997 24.041 1025 HH12 ARG 137 2HH1 ARG 137 -3.691 32.057 25.756 1026 HH21 ARG 137 1HH2 ARG 137 -0.374 32.505 26.628 1027 HH22 ARG 137 2HH2 ARG 137 -2.013 32.335 27.192 1028 H GLY 138 H GLY 138 -2.566 29.689 18.793 1029 HA2 GLY 138 1HA GLY 138 -4.226 27.977 19.626 1030 HA3 GLY 138 2HA GLY 138 -4.107 28.804 21.202 1031 H GLY 139 H GLY 139 -6.621 28.826 20.267 1032 HA2 GLY 139 1HA GLY 139 -8.283 30.432 19.882 1033 HA3 GLY 139 2HA GLY 139 -7.019 31.639 19.560 1034 H SER 140 H SER 140 -7.560 28.437 18.082 1035 HA SER 140 HA SER 140 -8.183 29.692 15.463 1036 HB2 SER 140 1HB SER 140 -6.185 27.426 15.821 1037 HB3 SER 140 2HB SER 140 -6.526 28.359 14.347 1038 HG SER 140 HG SER 140 -5.850 30.191 15.959 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 20.125 1.549 1.405 2 H2 GLY 1 2H GLY 1 18.693 2.355 1.558 3 H3 GLY 1 3H GLY 1 19.018 1.508 0.182 4 HA2 GLY 1 1HA GLY 1 19.003 -0.567 1.378 5 HA3 GLY 1 2HA GLY 1 18.663 0.345 2.862 6 H ALA 2 H ALA 2 16.846 -1.571 2.355 7 HA ALA 2 HA ALA 2 14.733 -0.844 0.585 8 HB1 ALA 2 1HB ALA 2 14.967 -3.105 1.600 9 HB2 ALA 2 2HB ALA 2 13.372 -2.403 1.950 10 HB3 ALA 2 3HB ALA 2 14.630 -2.414 3.209 11 H MET 3 H MET 3 12.797 0.244 0.971 12 HA MET 3 HA MET 3 11.472 1.933 1.710 13 HB2 MET 3 1HB MET 3 12.469 1.160 4.468 14 HB3 MET 3 2HB MET 3 11.046 2.142 4.116 15 HG2 MET 3 1HG MET 3 9.975 0.261 2.987 16 HG3 MET 3 2HG MET 3 11.407 -0.749 3.254 17 HE1 MET 3 1HE MET 3 11.376 -1.589 7.005 18 HE2 MET 3 2HE MET 3 12.442 -0.502 6.084 19 HE3 MET 3 3HE MET 3 11.938 -2.060 5.386 20 H GLY 4 H GLY 4 14.533 2.429 1.322 21 HA2 GLY 4 1HA GLY 4 14.953 4.830 2.948 22 HA3 GLY 4 2HA GLY 4 16.032 4.168 1.711 23 H LEU 5 H LEU 5 12.708 5.511 1.870 24 HA LEU 5 HA LEU 5 12.744 6.497 -0.821 25 HB2 LEU 5 1HB LEU 5 11.090 7.112 1.626 26 HB3 LEU 5 2HB LEU 5 10.872 8.016 0.148 27 HG LEU 5 HG LEU 5 10.150 6.017 -1.043 28 HD11 LEU 5 1HD1 LEU 5 9.569 3.945 0.201 29 HD12 LEU 5 2HD1 LEU 5 10.436 4.570 1.624 30 HD13 LEU 5 3HD1 LEU 5 11.319 4.215 0.117 31 HD21 LEU 5 1HD2 LEU 5 8.009 5.773 0.161 32 HD22 LEU 5 2HD2 LEU 5 8.542 7.456 0.099 33 HD23 LEU 5 3HD2 LEU 5 8.736 6.521 1.605 34 HA PRO 6 HA PRO 6 15.160 10.123 -0.043 35 HB2 PRO 6 1HB PRO 6 14.663 11.625 -2.259 36 HB3 PRO 6 2HB PRO 6 15.595 10.094 -2.337 37 HG2 PRO 6 1HG PRO 6 12.671 10.555 -2.912 38 HG3 PRO 6 2HG PRO 6 13.897 9.711 -3.912 39 HD2 PRO 6 1HD PRO 6 12.187 8.366 -2.266 40 HD3 PRO 6 2HD PRO 6 13.878 7.812 -2.541 41 H ASN 7 H ASN 7 11.710 10.338 -0.615 42 HA ASN 7 HA ASN 7 10.093 11.831 0.005 43 HB2 ASN 7 1HB ASN 7 11.081 10.895 2.180 44 HB3 ASN 7 2HB ASN 7 11.867 12.467 2.368 45 HD21 ASN 7 1HD2 ASN 7 9.046 13.849 3.817 46 HD22 ASN 7 2HD2 ASN 7 10.782 13.792 3.645 47 H ASN 8 H ASN 8 11.756 13.084 -1.890 48 HA ASN 8 HA ASN 8 12.469 15.744 -0.883 49 HB2 ASN 8 1HB ASN 8 13.689 14.416 -2.718 50 HB3 ASN 8 2HB ASN 8 12.362 14.890 -3.789 51 HD21 ASN 8 1HD2 ASN 8 13.707 18.040 -4.405 52 HD22 ASN 8 2HD2 ASN 8 12.560 16.793 -4.818 53 H THR 9 H THR 9 9.840 15.334 -0.319 54 HA THR 9 HA THR 9 8.510 17.450 -1.895 55 HB THR 9 HB THR 9 6.350 16.062 -1.820 56 HG1 THR 9 HG1 THR 9 7.445 14.489 -0.340 57 HG21 THR 9 1HG2 THR 9 6.755 14.799 -3.846 58 HG22 THR 9 2HG2 THR 9 8.508 14.817 -3.562 59 HG23 THR 9 3HG2 THR 9 7.652 16.331 -3.941 60 H ALA 10 H ALA 10 7.601 18.778 -0.362 61 HA ALA 10 HA ALA 10 6.929 17.567 2.269 62 HB1 ALA 10 1HB ALA 10 9.255 18.488 2.397 63 HB2 ALA 10 2HB ALA 10 8.116 19.315 3.485 64 HB3 ALA 10 3HB ALA 10 8.611 20.088 1.960 65 H SER 11 H SER 11 5.349 18.547 3.416 66 HA SER 11 HA SER 11 3.345 20.003 2.002 67 HB2 SER 11 1HB SER 11 2.841 18.637 3.986 68 HB3 SER 11 2HB SER 11 3.866 19.685 4.987 69 HG SER 11 HG SER 11 1.370 20.242 3.769 70 H TRP 12 H TRP 12 2.821 22.163 2.005 71 HA TRP 12 HA TRP 12 4.923 24.067 2.369 72 HB2 TRP 12 1HB TRP 12 2.105 24.098 1.476 73 HB3 TRP 12 2HB TRP 12 2.737 25.612 2.156 74 HD1 TRP 12 HD1 TRP 12 3.118 23.344 -0.867 75 HE1 TRP 12 HE1 TRP 12 4.656 24.367 -2.595 76 HE3 TRP 12 HE3 TRP 12 4.856 27.190 1.990 77 HZ2 TRP 12 HZ2 TRP 12 6.448 26.594 -2.729 78 HZ3 TRP 12 HZ3 TRP 12 6.530 28.751 1.006 79 HH2 TRP 12 HH2 TRP 12 7.320 28.446 -1.345 80 H PHE 13 H PHE 13 2.628 22.748 4.581 81 HA PHE 13 HA PHE 13 2.978 25.131 6.328 82 HB2 PHE 13 1HB PHE 13 0.635 23.223 6.236 83 HB3 PHE 13 2HB PHE 13 0.740 24.748 7.126 84 HD1 PHE 13 HD1 PHE 13 -0.006 23.146 3.951 85 HD2 PHE 13 HD2 PHE 13 0.803 26.911 5.863 86 HE1 PHE 13 HE1 PHE 13 -0.890 24.330 1.976 87 HE2 PHE 13 HE2 PHE 13 -0.068 28.114 3.867 88 HZ PHE 13 HZ PHE 13 -0.909 26.811 1.912 89 H THR 14 H THR 14 2.588 24.809 8.593 90 HA THR 14 HA THR 14 4.152 22.615 9.654 91 HB THR 14 HB THR 14 3.498 23.539 11.856 92 HG1 THR 14 HG1 THR 14 2.047 25.187 12.009 93 HG21 THR 14 1HG2 THR 14 4.256 25.722 9.885 94 HG22 THR 14 2HG2 THR 14 5.383 24.587 10.661 95 HG23 THR 14 3HG2 THR 14 4.487 25.766 11.643 96 H ALA 15 H ALA 15 3.182 21.246 11.467 97 HA ALA 15 HA ALA 15 1.026 19.796 10.225 98 HB1 ALA 15 1HB ALA 15 2.121 19.171 12.960 99 HB2 ALA 15 2HB ALA 15 3.129 18.929 11.518 100 HB3 ALA 15 3HB ALA 15 1.589 18.062 11.664 101 H LEU 16 H LEU 16 -0.889 19.094 11.202 102 HA LEU 16 HA LEU 16 -2.038 20.931 13.277 103 HB2 LEU 16 1HB LEU 16 -3.188 19.055 11.197 104 HB3 LEU 16 2HB LEU 16 -4.104 19.451 12.629 105 HG LEU 16 HG LEU 16 -3.226 21.395 10.514 106 HD11 LEU 16 1HD1 LEU 16 -5.631 21.536 10.037 107 HD12 LEU 16 2HD1 LEU 16 -5.979 20.382 11.347 108 HD13 LEU 16 3HD1 LEU 16 -5.085 19.852 9.903 109 HD21 LEU 16 1HD2 LEU 16 -4.710 22.991 11.778 110 HD22 LEU 16 2HD2 LEU 16 -3.198 22.573 12.591 111 HD23 LEU 16 3HD2 LEU 16 -4.724 21.823 13.118 112 H THR 17 H THR 17 -2.530 20.059 15.286 113 HA THR 17 HA THR 17 -1.836 17.161 15.644 114 HB THR 17 HB THR 17 -1.343 19.454 17.585 115 HG1 THR 17 HG1 THR 17 0.654 19.510 16.809 116 HG21 THR 17 1HG2 THR 17 0.142 17.723 18.667 117 HG22 THR 17 2HG2 THR 17 -0.591 16.503 17.596 118 HG23 THR 17 3HG2 THR 17 -1.597 17.382 18.782 119 H GLN 18 H GLN 18 -3.081 15.995 17.104 120 HA GLN 18 HA GLN 18 -5.732 17.233 17.694 121 HB2 GLN 18 1HB GLN 18 -5.783 15.475 16.025 122 HB3 GLN 18 2HB GLN 18 -4.835 14.410 17.032 123 HG2 GLN 18 1HG GLN 18 -7.118 13.641 16.988 124 HG3 GLN 18 2HG GLN 18 -6.727 14.181 18.613 125 HE21 GLN 18 1HE2 GLN 18 -10.037 15.497 17.003 126 HE22 GLN 18 2HE2 GLN 18 -9.175 14.011 16.608 127 H HIS 19 H HIS 19 -6.679 17.097 19.600 128 HA HIS 19 HA HIS 19 -5.687 15.092 21.593 129 HB2 HIS 19 1HB HIS 19 -4.905 17.275 22.398 130 HB3 HIS 19 2HB HIS 19 -6.496 17.984 22.100 131 HD1 HIS 19 HD1 HIS 19 -4.735 15.612 24.502 132 HD2 HIS 19 HD2 HIS 19 -8.375 17.585 24.053 133 HE1 HIS 19 HE1 HIS 19 -6.005 15.319 26.672 134 H GLY 20 H GLY 20 -7.361 13.641 21.175 135 HA2 GLY 20 1HA GLY 20 -9.982 14.083 22.062 136 HA3 GLY 20 2HA GLY 20 -9.960 14.504 20.333 137 H LYS 21 H LYS 21 -11.338 12.702 19.844 138 HA LYS 21 HA LYS 21 -9.913 10.043 20.019 139 HB2 LYS 21 1HB LYS 21 -12.874 10.733 20.005 140 HB3 LYS 21 2HB LYS 21 -12.237 9.103 19.776 141 HG2 LYS 21 1HG LYS 21 -11.149 9.233 22.002 142 HG3 LYS 21 2HG LYS 21 -11.885 10.830 22.247 143 HD2 LYS 21 1HD LYS 21 -14.137 9.820 21.978 144 HD3 LYS 21 2HD LYS 21 -13.389 8.222 21.783 145 HE2 LYS 21 1HE LYS 21 -13.147 10.000 24.248 146 HE3 LYS 21 2HE LYS 21 -14.229 8.603 24.092 147 HZ1 LYS 21 1HZ LYS 21 -12.181 8.018 25.238 148 HZ2 LYS 21 2HZ LYS 21 -11.268 8.490 23.947 149 HZ3 LYS 21 3HZ LYS 21 -12.279 7.195 23.812 150 H GLU 22 H GLU 22 -11.384 12.455 18.070 151 HA GLU 22 HA GLU 22 -11.871 10.864 15.723 152 HB2 GLU 22 1HB GLU 22 -11.362 13.850 15.937 153 HB3 GLU 22 2HB GLU 22 -12.190 13.005 14.633 154 HG2 GLU 22 1HG GLU 22 -14.027 13.674 15.727 155 HG3 GLU 22 2HG GLU 22 -13.726 12.224 16.688 156 H ASP 23 H ASP 23 -10.690 10.842 13.796 157 HA ASP 23 HA ASP 23 -7.784 10.869 14.167 158 HB2 ASP 23 1HB ASP 23 -9.306 9.309 12.646 159 HB3 ASP 23 2HB ASP 23 -9.134 10.600 11.463 160 H LEU 24 H LEU 24 -9.933 12.421 11.778 161 HA LEU 24 HA LEU 24 -9.498 15.125 12.444 162 HB2 LEU 24 1HB LEU 24 -7.221 14.914 11.492 163 HB3 LEU 24 2HB LEU 24 -7.874 14.150 10.054 164 HG LEU 24 HG LEU 24 -8.937 16.238 9.370 165 HD11 LEU 24 1HD1 LEU 24 -9.299 17.225 11.671 166 HD12 LEU 24 2HD1 LEU 24 -8.640 18.345 10.471 167 HD13 LEU 24 3HD1 LEU 24 -7.579 17.629 11.700 168 HD21 LEU 24 1HD2 LEU 24 -6.914 17.513 8.866 169 HD22 LEU 24 2HD2 LEU 24 -6.634 15.769 8.686 170 HD23 LEU 24 3HD2 LEU 24 -6.026 16.620 10.124 171 H LYS 25 H LYS 25 -11.124 16.261 11.247 172 HA LYS 25 HA LYS 25 -12.098 15.055 8.777 173 HB2 LYS 25 1HB LYS 25 -13.350 13.808 10.552 174 HB3 LYS 25 2HB LYS 25 -13.966 15.344 11.168 175 HG2 LYS 25 1HG LYS 25 -15.674 14.273 9.815 176 HG3 LYS 25 2HG LYS 25 -15.118 15.736 8.992 177 HD2 LYS 25 1HD LYS 25 -13.635 14.327 7.550 178 HD3 LYS 25 2HD LYS 25 -14.280 12.877 8.343 179 HE2 LYS 25 1HE LYS 25 -16.538 13.443 7.548 180 HE3 LYS 25 2HE LYS 25 -15.918 14.943 6.820 181 HZ1 LYS 25 1HZ LYS 25 -16.118 13.150 5.197 182 HZ2 LYS 25 2HZ LYS 25 -15.060 12.212 6.048 183 HZ3 LYS 25 3HZ LYS 25 -14.546 13.621 5.357 184 H PHE 26 H PHE 26 -12.799 16.549 7.428 185 HA PHE 26 HA PHE 26 -13.605 19.212 8.517 186 HB2 PHE 26 1HB PHE 26 -11.766 18.485 6.233 187 HB3 PHE 26 2HB PHE 26 -12.703 19.978 6.175 188 HD1 PHE 26 HD1 PHE 26 -9.501 18.956 6.778 189 HD2 PHE 26 HD2 PHE 26 -12.637 21.163 8.753 190 HE1 PHE 26 HE1 PHE 26 -7.822 20.083 8.210 191 HE2 PHE 26 HE2 PHE 26 -10.946 22.323 10.137 192 HZ PHE 26 HZ PHE 26 -8.526 21.768 9.876 193 HA PRO 27 HA PRO 27 -17.282 18.371 6.271 194 HB2 PRO 27 1HB PRO 27 -18.149 20.833 5.463 195 HB3 PRO 27 2HB PRO 27 -18.057 20.375 7.194 196 HG2 PRO 27 1HG PRO 27 -16.073 21.862 5.538 197 HG3 PRO 27 2HG PRO 27 -16.808 22.332 7.098 198 HD2 PRO 27 1HD PRO 27 -14.385 21.192 6.968 199 HD3 PRO 27 2HD PRO 27 -15.535 20.769 8.285 200 H ARG 28 H ARG 28 -18.520 18.781 4.136 201 HA ARG 28 HA ARG 28 -16.680 18.239 1.928 202 HB2 ARG 28 1HB ARG 28 -18.811 17.057 2.104 203 HB3 ARG 28 2HB ARG 28 -19.689 18.583 2.065 204 HG2 ARG 28 1HG ARG 28 -19.928 17.542 -0.073 205 HG3 ARG 28 2HG ARG 28 -18.882 18.953 -0.279 206 HD2 ARG 28 1HD ARG 28 -16.905 17.547 -0.390 207 HD3 ARG 28 2HD ARG 28 -17.842 16.119 0.080 208 HE ARG 28 HE ARG 28 -18.654 15.904 -2.077 209 HH11 ARG 28 1HH1 ARG 28 -17.009 19.035 -1.875 210 HH12 ARG 28 2HH1 ARG 28 -17.039 19.256 -3.602 211 HH21 ARG 28 1HH2 ARG 28 -18.655 16.275 -4.262 212 HH22 ARG 28 2HH2 ARG 28 -17.964 17.732 -4.919 213 H GLY 29 H GLY 29 -15.857 19.669 0.609 214 HA2 GLY 29 1HA GLY 29 -15.788 21.502 -0.830 215 HA3 GLY 29 2HA GLY 29 -17.382 21.990 -0.252 216 H GLN 30 H GLN 30 -15.208 21.527 2.347 217 HA GLN 30 HA GLN 30 -14.049 24.225 2.279 218 HB2 GLN 30 1HB GLN 30 -16.324 24.697 3.006 219 HB3 GLN 30 2HB GLN 30 -16.298 23.351 4.125 220 HG2 GLN 30 1HG GLN 30 -14.410 24.658 5.303 221 HG3 GLN 30 2HG GLN 30 -15.011 26.040 4.377 222 HE21 GLN 30 1HE2 GLN 30 -16.706 25.581 7.758 223 HE22 GLN 30 2HE2 GLN 30 -15.022 25.503 7.273 224 H GLY 31 H GLY 31 -12.208 24.232 3.799 225 HA2 GLY 31 1HA GLY 31 -11.662 23.028 6.038 226 HA3 GLY 31 2HA GLY 31 -11.779 21.564 5.063 227 H VAL 32 H VAL 32 -10.604 23.399 2.781 228 HA VAL 32 HA VAL 32 -7.888 22.559 3.254 229 HB VAL 32 HB VAL 32 -7.333 23.850 1.234 230 HG11 VAL 32 1HG1 VAL 32 -8.662 22.572 -0.377 231 HG12 VAL 32 2HG1 VAL 32 -9.798 22.152 0.918 232 HG13 VAL 32 3HG1 VAL 32 -8.117 21.580 0.978 233 HG21 VAL 32 1HG2 VAL 32 -9.011 24.914 -0.131 234 HG22 VAL 32 2HG2 VAL 32 -8.825 25.727 1.432 235 HG23 VAL 32 3HG2 VAL 32 -10.226 24.662 1.149 236 HA PRO 33 HA PRO 33 -6.669 26.091 5.597 237 HB2 PRO 33 1HB PRO 33 -3.969 25.893 5.395 238 HB3 PRO 33 2HB PRO 33 -4.953 24.689 6.282 239 HG2 PRO 33 1HG PRO 33 -3.833 24.558 3.542 240 HG3 PRO 33 2HG PRO 33 -3.834 23.333 4.836 241 HD2 PRO 33 1HD PRO 33 -5.612 23.321 2.787 242 HD3 PRO 33 2HD PRO 33 -5.978 22.655 4.411 243 H ILE 34 H ILE 34 -5.196 28.066 5.400 244 HA ILE 34 HA ILE 34 -5.807 29.388 2.887 245 HB ILE 34 HB ILE 34 -4.039 30.216 5.238 246 HG12 ILE 34 1HG1 ILE 34 -6.838 31.083 4.438 247 HG13 ILE 34 2HG1 ILE 34 -6.464 29.913 5.701 248 HG21 ILE 34 1HG2 ILE 34 -4.060 32.483 4.306 249 HG22 ILE 34 2HG2 ILE 34 -5.076 31.953 2.941 250 HG23 ILE 34 3HG2 ILE 34 -3.399 31.380 3.100 251 HD11 ILE 34 1HD1 ILE 34 -5.168 31.676 6.881 252 HD12 ILE 34 2HD1 ILE 34 -6.904 31.995 6.744 253 HD13 ILE 34 3HD1 ILE 34 -5.770 32.839 5.675 254 H ASN 35 H ASN 35 -4.721 29.131 1.091 255 HA ASN 35 HA ASN 35 -1.836 28.357 1.269 256 HB2 ASN 35 1HB ASN 35 -3.703 27.923 -1.063 257 HB3 ASN 35 2HB ASN 35 -2.047 27.361 -0.932 258 HD21 ASN 35 1HD2 ASN 35 -5.085 25.174 0.484 259 HD22 ASN 35 2HD2 ASN 35 -5.319 26.686 -0.366 260 H THR 36 H THR 36 -1.100 30.479 1.493 261 HA THR 36 HA THR 36 -1.949 32.649 -0.168 262 HB THR 36 HB THR 36 0.071 33.799 0.713 263 HG1 THR 36 HG1 THR 36 1.695 32.428 0.879 264 HG21 THR 36 1HG2 THR 36 -1.085 32.026 2.891 265 HG22 THR 36 2HG2 THR 36 -1.945 33.431 2.207 266 HG23 THR 36 3HG2 THR 36 -0.403 33.656 3.062 267 H ASN 37 H ASN 37 0.268 30.064 -0.690 268 HA ASN 37 HA ASN 37 1.571 31.496 -2.958 269 HB2 ASN 37 1HB ASN 37 2.349 28.949 -1.491 270 HB3 ASN 37 2HB ASN 37 3.274 29.712 -2.792 271 HD21 ASN 37 1HD2 ASN 37 3.862 30.841 0.956 272 HD22 ASN 37 2HD2 ASN 37 3.008 29.399 0.477 273 H SER 38 H SER 38 -1.167 30.481 -3.168 274 HA SER 38 HA SER 38 -0.698 28.633 -5.436 275 HB2 SER 38 1HB SER 38 -2.694 28.077 -3.214 276 HB3 SER 38 2HB SER 38 -2.424 27.089 -4.658 277 HG SER 38 HG SER 38 -0.083 27.477 -3.504 278 H SER 39 H SER 39 -2.322 28.649 -7.003 279 HA SER 39 HA SER 39 -3.901 31.074 -7.218 280 HB2 SER 39 1HB SER 39 -4.025 28.452 -8.782 281 HB3 SER 39 2HB SER 39 -4.657 30.024 -9.318 282 HG SER 39 HG SER 39 -2.550 29.467 -10.160 283 HA PRO 40 HA PRO 40 -7.518 29.578 -5.258 284 HB2 PRO 40 1HB PRO 40 -9.658 30.162 -6.866 285 HB3 PRO 40 2HB PRO 40 -8.744 31.414 -5.957 286 HG2 PRO 40 1HG PRO 40 -8.401 30.576 -8.829 287 HG3 PRO 40 2HG PRO 40 -8.643 32.221 -8.155 288 HD2 PRO 40 1HD PRO 40 -6.177 31.333 -8.719 289 HD3 PRO 40 2HD PRO 40 -6.474 32.279 -7.219 290 H ASP 41 H ASP 41 -7.007 28.692 -8.614 291 HA ASP 41 HA ASP 41 -8.661 26.400 -8.831 292 HB2 ASP 41 1HB ASP 41 -5.919 26.974 -10.043 293 HB3 ASP 41 2HB ASP 41 -7.034 25.719 -10.594 294 H ASP 42 H ASP 42 -5.639 27.004 -7.203 295 HA ASP 42 HA ASP 42 -4.875 24.178 -7.153 296 HB2 ASP 42 1HB ASP 42 -3.531 26.761 -6.477 297 HB3 ASP 42 2HB ASP 42 -2.860 25.229 -5.934 298 H GLN 43 H GLN 43 -6.732 26.115 -5.095 299 HA GLN 43 HA GLN 43 -5.635 25.502 -2.554 300 HB2 GLN 43 1HB GLN 43 -8.553 25.861 -3.274 301 HB3 GLN 43 2HB GLN 43 -7.845 26.049 -1.669 302 HG2 GLN 43 1HG GLN 43 -7.263 27.779 -4.084 303 HG3 GLN 43 2HG GLN 43 -8.315 28.215 -2.742 304 HE21 GLN 43 1HE2 GLN 43 -4.460 29.095 -2.590 305 HE22 GLN 43 2HE2 GLN 43 -5.354 28.691 -4.037 306 H ILE 44 H ILE 44 -7.765 23.500 -4.561 307 HA ILE 44 HA ILE 44 -8.695 21.720 -2.566 308 HB ILE 44 HB ILE 44 -9.745 21.852 -4.744 309 HG12 ILE 44 1HG1 ILE 44 -8.498 19.093 -4.617 310 HG13 ILE 44 2HG1 ILE 44 -9.770 19.636 -3.526 311 HG21 ILE 44 1HG2 ILE 44 -7.198 20.705 -5.897 312 HG22 ILE 44 2HG2 ILE 44 -7.750 22.384 -6.081 313 HG23 ILE 44 3HG2 ILE 44 -8.688 21.074 -6.786 314 HD11 ILE 44 1HD1 ILE 44 -11.197 20.139 -5.625 315 HD12 ILE 44 2HD1 ILE 44 -10.889 18.427 -5.290 316 HD13 ILE 44 3HD1 ILE 44 -9.965 19.251 -6.554 317 H GLY 45 H GLY 45 -8.076 19.781 -1.736 318 HA2 GLY 45 1HA GLY 45 -5.791 18.299 -2.565 319 HA3 GLY 45 2HA GLY 45 -5.281 19.457 -1.327 320 H TYR 46 H TYR 46 -4.771 17.831 0.181 321 HA TYR 46 HA TYR 46 -7.127 16.899 1.670 322 HB2 TYR 46 1HB TYR 46 -6.519 14.558 1.616 323 HB3 TYR 46 2HB TYR 46 -6.740 15.119 -0.035 324 HD1 TYR 46 HD1 TYR 46 -4.403 13.888 2.474 325 HD2 TYR 46 HD2 TYR 46 -4.767 15.402 -1.534 326 HE1 TYR 46 HE1 TYR 46 -2.117 12.999 1.885 327 HE2 TYR 46 HE2 TYR 46 -2.492 14.541 -2.089 328 HH TYR 46 HH TYR 46 -0.492 12.813 0.298 329 H TYR 47 H TYR 47 -6.322 15.692 3.717 330 HA TYR 47 HA TYR 47 -3.623 16.775 4.489 331 HB2 TYR 47 1HB TYR 47 -5.983 16.097 6.241 332 HB3 TYR 47 2HB TYR 47 -4.382 16.453 6.836 333 HD1 TYR 47 HD1 TYR 47 -3.814 18.622 7.478 334 HD2 TYR 47 HD2 TYR 47 -7.129 18.081 4.782 335 HE1 TYR 47 HE1 TYR 47 -4.441 21.015 7.742 336 HE2 TYR 47 HE2 TYR 47 -7.737 20.478 5.072 337 HH TYR 47 HH TYR 47 -7.344 22.411 6.218 338 H ARG 48 H ARG 48 -2.193 15.361 5.379 339 HA ARG 48 HA ARG 48 -2.905 12.452 5.175 340 HB2 ARG 48 1HB ARG 48 -1.211 13.459 3.561 341 HB3 ARG 48 2HB ARG 48 -0.172 13.785 4.937 342 HG2 ARG 48 1HG ARG 48 0.038 11.410 5.416 343 HG3 ARG 48 2HG ARG 48 -1.156 11.023 4.168 344 HD2 ARG 48 1HD ARG 48 0.373 12.100 2.473 345 HD3 ARG 48 2HD ARG 48 1.596 12.232 3.752 346 HE ARG 48 HE ARG 48 0.674 9.538 3.619 347 HH11 ARG 48 1HH1 ARG 48 2.619 11.771 1.682 348 HH12 ARG 48 2HH1 ARG 48 3.546 10.481 0.964 349 HH21 ARG 48 1HH2 ARG 48 1.899 7.950 2.644 350 HH22 ARG 48 2HH2 ARG 48 3.131 8.363 1.482 351 H ARG 49 H ARG 49 -2.846 11.335 7.077 352 HA ARG 49 HA ARG 49 -1.819 12.585 9.505 353 HB2 ARG 49 1HB ARG 49 -3.443 11.135 10.136 354 HB3 ARG 49 2HB ARG 49 -3.197 10.067 8.765 355 HG2 ARG 49 1HG ARG 49 -1.579 8.797 9.864 356 HG3 ARG 49 2HG ARG 49 -1.199 10.084 11.018 357 HD2 ARG 49 1HD ARG 49 -2.428 8.192 12.060 358 HD3 ARG 49 2HD ARG 49 -3.234 9.752 12.234 359 HE ARG 49 HE ARG 49 -5.067 8.946 11.145 360 HH11 ARG 49 1HH1 ARG 49 -2.397 6.750 10.300 361 HH12 ARG 49 2HH1 ARG 49 -3.474 5.628 9.492 362 HH21 ARG 49 1HH2 ARG 49 -6.325 7.476 10.175 363 HH22 ARG 49 2HH2 ARG 49 -5.641 6.020 9.427 364 H ALA 50 H ALA 50 0.123 12.385 10.457 365 HA ALA 50 HA ALA 50 2.130 10.551 9.233 366 HB1 ALA 50 1HB ALA 50 2.457 12.792 8.245 367 HB2 ALA 50 2HB ALA 50 3.791 12.394 9.361 368 HB3 ALA 50 3HB ALA 50 2.505 13.517 9.876 369 H THR 51 H THR 51 3.208 9.408 10.698 370 HA THR 51 HA THR 51 4.077 10.618 13.184 371 HB THR 51 HB THR 51 1.770 9.874 13.834 372 HG1 THR 51 HG1 THR 51 2.512 8.758 15.684 373 HG21 THR 51 1HG2 THR 51 1.244 7.515 14.049 374 HG22 THR 51 2HG2 THR 51 2.826 7.059 13.383 375 HG23 THR 51 3HG2 THR 51 1.621 7.867 12.350 376 H ARG 52 H ARG 52 5.633 9.305 14.233 377 HA ARG 52 HA ARG 52 6.441 6.732 13.129 378 HB2 ARG 52 1HB ARG 52 7.413 8.563 11.537 379 HB3 ARG 52 2HB ARG 52 8.430 9.026 12.901 380 HG2 ARG 52 1HG ARG 52 9.777 7.603 11.590 381 HG3 ARG 52 2HG ARG 52 9.233 6.568 12.923 382 HD2 ARG 52 1HD ARG 52 7.471 5.616 11.477 383 HD3 ARG 52 2HD ARG 52 7.943 6.708 10.162 384 HE ARG 52 HE ARG 52 10.226 5.213 10.947 385 HH11 ARG 52 1HH1 ARG 52 7.139 4.659 9.314 386 HH12 ARG 52 2HH1 ARG 52 7.764 3.316 8.395 387 HH21 ARG 52 1HH2 ARG 52 10.948 3.491 9.728 388 HH22 ARG 52 2HH2 ARG 52 9.876 2.676 8.622 389 H ARG 53 H ARG 53 7.622 5.674 14.790 390 HA ARG 53 HA ARG 53 7.839 7.213 17.302 391 HB2 ARG 53 1HB ARG 53 6.809 4.969 17.329 392 HB3 ARG 53 2HB ARG 53 8.315 4.264 16.731 393 HG2 ARG 53 1HG ARG 53 9.127 4.114 18.819 394 HG3 ARG 53 2HG ARG 53 8.855 5.839 19.089 395 HD2 ARG 53 1HD ARG 53 7.575 4.925 20.747 396 HD3 ARG 53 2HD ARG 53 6.375 5.177 19.471 397 HE ARG 53 HE ARG 53 7.342 2.580 19.094 398 HH11 ARG 53 1HH1 ARG 53 5.703 4.244 21.758 399 HH12 ARG 53 2HH1 ARG 53 4.980 2.775 22.344 400 HH21 ARG 53 1HH2 ARG 53 6.373 0.751 19.914 401 HH22 ARG 53 2HH2 ARG 53 5.350 0.845 21.321 402 H ILE 54 H ILE 54 9.645 7.824 18.245 403 HA ILE 54 HA ILE 54 12.201 7.068 16.959 404 HB ILE 54 HB ILE 54 12.938 9.247 16.829 405 HG12 ILE 54 1HG1 ILE 54 12.577 9.943 19.124 406 HG13 ILE 54 2HG1 ILE 54 12.132 11.197 17.995 407 HG21 ILE 54 1HG2 ILE 54 11.299 10.611 15.685 408 HG22 ILE 54 2HG2 ILE 54 9.951 9.688 16.393 409 HG23 ILE 54 3HG2 ILE 54 11.078 8.907 15.250 410 HD11 ILE 54 1HD1 ILE 54 10.615 11.206 19.814 411 HD12 ILE 54 2HD1 ILE 54 10.291 9.477 19.623 412 HD13 ILE 54 3HD1 ILE 54 9.745 10.633 18.378 413 H ARG 55 H ARG 55 13.998 7.802 18.547 414 HA ARG 55 HA ARG 55 13.166 7.374 21.389 415 HB2 ARG 55 1HB ARG 55 13.900 5.180 20.520 416 HB3 ARG 55 2HB ARG 55 15.399 5.898 19.925 417 HG2 ARG 55 1HG ARG 55 15.075 6.440 22.772 418 HG3 ARG 55 2HG ARG 55 14.961 4.701 22.450 419 HD2 ARG 55 1HD ARG 55 17.134 4.608 21.505 420 HD3 ARG 55 2HD ARG 55 17.166 6.348 21.193 421 HE ARG 55 HE ARG 55 17.617 6.797 23.477 422 HH11 ARG 55 1HH1 ARG 55 17.645 3.314 22.831 423 HH12 ARG 55 2HH1 ARG 55 18.558 2.969 24.274 424 HH21 ARG 55 1HH2 ARG 55 18.796 6.276 25.283 425 HH22 ARG 55 2HH2 ARG 55 19.174 4.607 25.642 426 H GLY 56 H GLY 56 13.836 9.139 22.463 427 HA2 GLY 56 1HA GLY 56 16.001 10.816 21.442 428 HA3 GLY 56 2HA GLY 56 15.162 10.989 23.008 429 H GLY 57 H GLY 57 18.083 11.147 22.686 430 HA2 GLY 57 1HA GLY 57 19.357 8.658 23.118 431 HA3 GLY 57 2HA GLY 57 19.986 10.233 23.633 432 H ASP 58 H ASP 58 17.785 10.873 25.332 433 HA ASP 58 HA ASP 58 18.668 9.644 27.793 434 HB2 ASP 58 1HB ASP 58 16.175 11.053 28.002 435 HB3 ASP 58 2HB ASP 58 17.762 11.491 28.592 436 H GLY 59 H GLY 59 16.677 8.500 25.508 437 HA2 GLY 59 1HA GLY 59 15.699 6.344 25.613 438 HA3 GLY 59 2HA GLY 59 15.544 6.505 27.368 439 H LYS 60 H LYS 60 14.497 9.239 25.560 440 HA LYS 60 HA LYS 60 11.814 8.770 26.552 441 HB2 LYS 60 1HB LYS 60 12.705 11.034 24.745 442 HB3 LYS 60 2HB LYS 60 11.323 10.991 25.847 443 HG2 LYS 60 1HG LYS 60 14.270 11.191 26.532 444 HG3 LYS 60 2HG LYS 60 12.994 12.364 26.866 445 HD2 LYS 60 1HD LYS 60 11.971 10.675 28.465 446 HD3 LYS 60 2HD LYS 60 13.393 9.640 28.178 447 HE2 LYS 60 1HE LYS 60 14.590 12.013 28.754 448 HE3 LYS 60 2HE LYS 60 13.149 12.104 29.789 449 HZ1 LYS 60 1HZ LYS 60 15.090 9.841 29.724 450 HZ2 LYS 60 2HZ LYS 60 13.767 9.937 30.711 451 HZ3 LYS 60 3HZ LYS 60 15.017 10.998 30.901 452 H MET 61 H MET 61 10.134 8.061 25.550 453 HA MET 61 HA MET 61 10.403 7.068 22.797 454 HB2 MET 61 1HB MET 61 8.330 6.812 24.988 455 HB3 MET 61 2HB MET 61 7.973 6.292 23.339 456 HG2 MET 61 1HG MET 61 10.493 5.252 24.542 457 HG3 MET 61 2HG MET 61 8.967 4.654 25.213 458 HE1 MET 61 1HE MET 61 10.578 3.842 20.957 459 HE2 MET 61 2HE MET 61 11.391 4.753 22.251 460 HE3 MET 61 3HE MET 61 10.067 5.510 21.325 461 H LYS 62 H LYS 62 8.732 7.453 21.202 462 HA LYS 62 HA LYS 62 8.133 10.233 20.835 463 HB2 LYS 62 1HB LYS 62 8.324 8.779 18.910 464 HB3 LYS 62 2HB LYS 62 7.094 7.691 19.531 465 HG2 LYS 62 1HG LYS 62 6.235 9.010 17.675 466 HG3 LYS 62 2HG LYS 62 5.373 9.351 19.157 467 HD2 LYS 62 1HD LYS 62 6.813 11.422 19.441 468 HD3 LYS 62 2HD LYS 62 7.459 11.091 17.821 469 HE2 LYS 62 1HE LYS 62 5.686 12.659 17.565 470 HE3 LYS 62 2HE LYS 62 5.084 11.096 16.984 471 HZ1 LYS 62 1HZ LYS 62 3.407 12.144 18.398 472 HZ2 LYS 62 2HZ LYS 62 4.480 12.323 19.642 473 HZ3 LYS 62 3HZ LYS 62 3.983 10.819 19.201 474 H ASP 63 H ASP 63 6.078 7.461 21.642 475 HA ASP 63 HA ASP 63 3.889 7.312 22.308 476 HB2 ASP 63 1HB ASP 63 5.370 8.176 24.292 477 HB3 ASP 63 2HB ASP 63 4.382 9.635 24.144 478 H LEU 64 H LEU 64 2.276 9.524 23.469 479 HA LEU 64 HA LEU 64 0.700 10.996 22.861 480 HB2 LEU 64 1HB LEU 64 3.166 11.988 21.510 481 HB3 LEU 64 2HB LEU 64 1.688 12.940 21.453 482 HG LEU 64 HG LEU 64 2.999 12.025 24.031 483 HD11 LEU 64 1HD1 LEU 64 3.908 14.311 24.177 484 HD12 LEU 64 2HD1 LEU 64 3.277 14.670 22.551 485 HD13 LEU 64 3HD1 LEU 64 4.547 13.437 22.773 486 HD21 LEU 64 1HD2 LEU 64 1.654 13.871 25.020 487 HD22 LEU 64 2HD2 LEU 64 0.633 12.621 24.293 488 HD23 LEU 64 3HD2 LEU 64 0.899 14.159 23.436 489 H SER 65 H SER 65 -0.252 12.470 21.032 490 HA SER 65 HA SER 65 -1.530 10.623 19.235 491 HB2 SER 65 1HB SER 65 -2.517 12.947 18.442 492 HB3 SER 65 2HB SER 65 -2.940 12.283 20.035 493 HG SER 65 HG SER 65 -2.297 14.510 20.065 494 HA PRO 66 HA PRO 66 0.823 11.495 15.550 495 HB2 PRO 66 1HB PRO 66 -0.983 11.125 13.562 496 HB3 PRO 66 2HB PRO 66 -0.476 9.755 14.601 497 HG2 PRO 66 1HG PRO 66 -2.907 11.511 14.842 498 HG3 PRO 66 2HG PRO 66 -2.812 9.720 14.804 499 HD2 PRO 66 1HD PRO 66 -2.959 11.115 17.131 500 HD3 PRO 66 2HD PRO 66 -2.000 9.600 16.992 501 H ARG 67 H ARG 67 0.667 12.954 13.479 502 HA ARG 67 HA ARG 67 -1.004 15.372 14.001 503 HB2 ARG 67 1HB ARG 67 0.875 16.808 13.443 504 HB3 ARG 67 2HB ARG 67 1.270 15.809 14.821 505 HG2 ARG 67 1HG ARG 67 2.505 14.269 13.298 506 HG3 ARG 67 2HG ARG 67 2.293 15.515 12.050 507 HD2 ARG 67 1HD ARG 67 3.245 17.167 13.704 508 HD3 ARG 67 2HD ARG 67 3.633 15.814 14.764 509 HE ARG 67 HE ARG 67 4.974 16.601 12.267 510 HH11 ARG 67 1HH1 ARG 67 4.655 14.064 14.702 511 HH12 ARG 67 2HH1 ARG 67 6.191 13.348 14.284 512 HH21 ARG 67 1HH2 ARG 67 6.890 15.641 11.787 513 HH22 ARG 67 2HH2 ARG 67 7.438 14.232 12.655 514 H TRP 68 H TRP 68 -1.178 16.709 11.973 515 HA TRP 68 HA TRP 68 -1.151 14.894 9.575 516 HB2 TRP 68 1HB TRP 68 -3.173 16.983 10.436 517 HB3 TRP 68 2HB TRP 68 -3.175 16.186 8.861 518 HD1 TRP 68 HD1 TRP 68 -3.448 15.191 12.605 519 HE1 TRP 68 HE1 TRP 68 -5.008 13.191 12.832 520 HE3 TRP 68 HE3 TRP 68 -4.313 14.392 7.628 521 HZ2 TRP 68 HZ2 TRP 68 -6.443 11.521 11.096 522 HZ3 TRP 68 HZ3 TRP 68 -5.860 12.538 6.965 523 HH2 TRP 68 HH2 TRP 68 -6.926 11.106 8.724 524 H TYR 69 H TYR 69 -0.753 15.842 7.561 525 HA TYR 69 HA TYR 69 0.177 18.705 7.614 526 HB2 TYR 69 1HB TYR 69 1.443 16.263 6.318 527 HB3 TYR 69 2HB TYR 69 1.828 17.918 5.847 528 HD1 TYR 69 HD1 TYR 69 1.913 15.574 8.788 529 HD2 TYR 69 HD2 TYR 69 3.416 19.220 7.053 530 HE1 TYR 69 HE1 TYR 69 3.633 15.732 10.595 531 HE2 TYR 69 HE2 TYR 69 5.152 19.345 8.823 532 HH TYR 69 HH TYR 69 6.017 18.425 10.687 533 H PHE 70 H PHE 70 -0.330 19.830 5.640 534 HA PHE 70 HA PHE 70 -2.575 18.598 4.171 535 HB2 PHE 70 1HB PHE 70 -2.944 20.830 5.124 536 HB3 PHE 70 2HB PHE 70 -1.536 21.450 4.260 537 HD1 PHE 70 HD1 PHE 70 -1.781 22.363 2.098 538 HD2 PHE 70 HD2 PHE 70 -4.869 19.815 3.663 539 HE1 PHE 70 HE1 PHE 70 -3.232 22.936 0.160 540 HE2 PHE 70 HE2 PHE 70 -6.324 20.383 1.712 541 HZ PHE 70 HZ PHE 70 -5.507 21.944 -0.037 542 H TYR 71 H TYR 71 -2.483 18.128 2.076 543 HA TYR 71 HA TYR 71 0.022 18.776 0.596 544 HB2 TYR 71 1HB TYR 71 -1.101 16.207 1.541 545 HB3 TYR 71 2HB TYR 71 -0.473 16.212 -0.135 546 HD1 TYR 71 HD1 TYR 71 1.994 17.016 -0.445 547 HD2 TYR 71 HD2 TYR 71 0.322 15.991 3.388 548 HE1 TYR 71 HE1 TYR 71 4.297 16.766 0.501 549 HE2 TYR 71 HE2 TYR 71 2.623 15.709 4.310 550 HH TYR 71 HH TYR 71 4.860 15.715 3.869 551 H TYR 72 H TYR 72 -0.421 19.363 -1.436 552 HA TYR 72 HA TYR 72 -3.153 19.856 -2.147 553 HB2 TYR 72 1HB TYR 72 -0.645 20.082 -3.831 554 HB3 TYR 72 2HB TYR 72 -2.222 20.788 -4.188 555 HD1 TYR 72 HD1 TYR 72 -2.999 22.786 -3.075 556 HD2 TYR 72 HD2 TYR 72 0.750 20.992 -1.954 557 HE1 TYR 72 HE1 TYR 72 -2.405 24.815 -1.779 558 HE2 TYR 72 HE2 TYR 72 1.307 23.021 -0.624 559 HH TYR 72 HH TYR 72 -0.982 25.663 -0.162 560 H LEU 73 H LEU 73 -4.170 19.207 -4.172 561 HA LEU 73 HA LEU 73 -4.495 16.437 -4.350 562 HB2 LEU 73 1HB LEU 73 -5.657 18.667 -5.421 563 HB3 LEU 73 2HB LEU 73 -4.871 18.010 -6.841 564 HG LEU 73 HG LEU 73 -7.054 16.735 -5.190 565 HD11 LEU 73 1HD1 LEU 73 -7.625 18.542 -6.798 566 HD12 LEU 73 2HD1 LEU 73 -8.308 16.979 -7.262 567 HD13 LEU 73 3HD1 LEU 73 -6.871 17.600 -8.102 568 HD21 LEU 73 1HD2 LEU 73 -5.659 14.887 -5.826 569 HD22 LEU 73 2HD2 LEU 73 -5.432 15.543 -7.468 570 HD23 LEU 73 3HD2 LEU 73 -7.019 14.935 -6.953 571 H GLY 74 H GLY 74 -3.310 14.805 -5.181 572 HA2 GLY 74 1HA GLY 74 -1.951 13.665 -6.635 573 HA3 GLY 74 2HA GLY 74 -2.004 15.052 -7.720 574 H THR 75 H THR 75 -0.721 15.547 -4.444 575 HA THR 75 HA THR 75 1.924 15.993 -5.712 576 HB THR 75 HB THR 75 2.587 16.729 -3.362 577 HG1 THR 75 HG1 THR 75 -0.234 16.718 -2.915 578 HG21 THR 75 1HG2 THR 75 1.324 18.845 -3.459 579 HG22 THR 75 2HG2 THR 75 0.264 18.138 -4.700 580 HG23 THR 75 3HG2 THR 75 1.994 18.371 -5.031 581 H GLY 76 H GLY 76 3.782 14.885 -5.142 582 HA2 GLY 76 1HA GLY 76 4.986 13.224 -3.928 583 HA3 GLY 76 2HA GLY 76 3.462 12.469 -3.434 584 HA PRO 77 HA PRO 77 4.941 11.156 -7.837 585 HB2 PRO 77 1HB PRO 77 7.015 9.399 -7.574 586 HB3 PRO 77 2HB PRO 77 7.233 11.157 -7.656 587 HG2 PRO 77 1HG PRO 77 7.148 9.451 -5.208 588 HG3 PRO 77 2HG PRO 77 8.390 10.645 -5.703 589 HD2 PRO 77 1HD PRO 77 6.410 11.306 -3.994 590 HD3 PRO 77 2HD PRO 77 6.996 12.468 -5.235 591 H GLU 78 H GLU 78 4.987 9.254 -4.948 592 HA GLU 78 HA GLU 78 3.940 6.830 -6.329 593 HB2 GLU 78 1HB GLU 78 4.620 5.675 -4.276 594 HB3 GLU 78 2HB GLU 78 5.965 6.633 -4.908 595 HG2 GLU 78 1HG GLU 78 5.334 8.459 -3.260 596 HG3 GLU 78 2HG GLU 78 4.179 7.323 -2.546 597 H ALA 79 H ALA 79 2.617 9.523 -5.344 598 HA ALA 79 HA ALA 79 1.081 8.869 -3.097 599 HB1 ALA 79 1HB ALA 79 1.357 11.160 -3.823 600 HB2 ALA 79 2HB ALA 79 -0.375 10.781 -3.784 601 HB3 ALA 79 3HB ALA 79 0.492 10.840 -5.339 602 H GLY 80 H GLY 80 0.265 8.654 -6.574 603 HA2 GLY 80 1HA GLY 80 -1.399 7.488 -7.672 604 HA3 GLY 80 2HA GLY 80 -1.271 6.316 -6.349 605 H LEU 81 H LEU 81 -2.343 9.726 -6.042 606 HA LEU 81 HA LEU 81 -4.958 8.664 -5.174 607 HB2 LEU 81 1HB LEU 81 -3.033 10.628 -3.988 608 HB3 LEU 81 2HB LEU 81 -4.735 10.834 -3.728 609 HG LEU 81 HG LEU 81 -3.118 8.445 -2.866 610 HD11 LEU 81 1HD1 LEU 81 -2.655 10.478 -1.590 611 HD12 LEU 81 2HD1 LEU 81 -3.596 9.348 -0.600 612 HD13 LEU 81 3HD1 LEU 81 -4.396 10.748 -1.342 613 HD21 LEU 81 1HD2 LEU 81 -6.063 9.060 -2.427 614 HD22 LEU 81 2HD2 LEU 81 -5.164 7.751 -1.655 615 HD23 LEU 81 3HD2 LEU 81 -5.401 7.738 -3.415 616 HA PRO 82 HA PRO 82 -6.513 11.955 -7.897 617 HB2 PRO 82 1HB PRO 82 -8.772 10.611 -8.593 618 HB3 PRO 82 2HB PRO 82 -7.200 10.252 -9.382 619 HG2 PRO 82 1HG PRO 82 -8.614 8.781 -7.186 620 HG3 PRO 82 2HG PRO 82 -7.738 8.135 -8.594 621 HD2 PRO 82 1HD PRO 82 -6.707 8.290 -6.088 622 HD3 PRO 82 2HD PRO 82 -5.729 8.239 -7.570 623 H TYR 83 H TYR 83 -8.555 13.213 -7.428 624 HA TYR 83 HA TYR 83 -8.891 13.497 -4.628 625 HB2 TYR 83 1HB TYR 83 -9.309 15.257 -6.339 626 HB3 TYR 83 2HB TYR 83 -10.772 14.398 -6.822 627 HD1 TYR 83 HD1 TYR 83 -12.777 14.434 -5.359 628 HD2 TYR 83 HD2 TYR 83 -9.150 16.410 -4.165 629 HE1 TYR 83 HE1 TYR 83 -14.004 15.604 -3.525 630 HE2 TYR 83 HE2 TYR 83 -10.377 17.565 -2.341 631 HH TYR 83 HH TYR 83 -13.847 17.016 -1.733 632 H GLY 84 H GLY 84 -10.184 12.577 -3.172 633 HA2 GLY 84 1HA GLY 84 -12.162 11.586 -2.399 634 HA3 GLY 84 2HA GLY 84 -12.629 11.192 -4.055 635 H ALA 85 H ALA 85 -9.516 10.100 -4.005 636 HA ALA 85 HA ALA 85 -10.372 7.373 -3.743 637 HB1 ALA 85 1HB ALA 85 -8.558 7.744 -5.159 638 HB2 ALA 85 2HB ALA 85 -7.857 6.931 -3.746 639 HB3 ALA 85 3HB ALA 85 -7.669 8.693 -3.948 640 H ASN 86 H ASN 86 -10.453 6.013 -2.096 641 HA ASN 86 HA ASN 86 -10.054 7.045 0.601 642 HB2 ASN 86 1HB ASN 86 -11.935 5.520 -0.039 643 HB3 ASN 86 2HB ASN 86 -10.750 4.239 -0.349 644 HD21 ASN 86 1HD2 ASN 86 -11.264 3.189 2.929 645 HD22 ASN 86 2HD2 ASN 86 -11.398 2.832 1.224 646 H LYS 87 H LYS 87 -8.323 6.796 1.878 647 HA LYS 87 HA LYS 87 -6.497 4.520 1.561 648 HB2 LYS 87 1HB LYS 87 -5.714 6.167 -0.130 649 HB3 LYS 87 2HB LYS 87 -5.571 7.370 1.109 650 HG2 LYS 87 1HG LYS 87 -3.700 6.357 2.117 651 HG3 LYS 87 2HG LYS 87 -4.037 4.777 1.366 652 HD2 LYS 87 1HD LYS 87 -3.168 7.243 -0.166 653 HD3 LYS 87 2HD LYS 87 -2.051 6.010 0.422 654 HE2 LYS 87 1HE LYS 87 -3.267 4.289 -0.938 655 HE3 LYS 87 2HE LYS 87 -4.319 5.559 -1.581 656 HZ1 LYS 87 1HZ LYS 87 -2.543 5.077 -3.122 657 HZ2 LYS 87 2HZ LYS 87 -1.384 5.385 -1.994 658 HZ3 LYS 87 3HZ LYS 87 -2.333 6.608 -2.556 659 H ASP 88 H ASP 88 -5.120 4.397 3.480 660 HA ASP 88 HA ASP 88 -6.492 5.265 5.828 661 HB2 ASP 88 1HB ASP 88 -5.032 3.268 5.791 662 HB3 ASP 88 2HB ASP 88 -3.622 4.312 5.542 663 H GLY 89 H GLY 89 -6.384 7.036 7.016 664 HA2 GLY 89 1HA GLY 89 -5.609 9.016 7.890 665 HA3 GLY 89 2HA GLY 89 -3.997 8.578 7.310 666 H ILE 90 H ILE 90 -6.706 8.846 5.061 667 HA ILE 90 HA ILE 90 -5.574 11.453 4.140 668 HB ILE 90 HB ILE 90 -6.674 9.187 2.378 669 HG12 ILE 90 1HG1 ILE 90 -4.431 8.693 3.236 670 HG13 ILE 90 2HG1 ILE 90 -4.425 8.986 1.508 671 HG21 ILE 90 1HG2 ILE 90 -7.268 11.320 1.381 672 HG22 ILE 90 2HG2 ILE 90 -5.864 10.707 0.494 673 HG23 ILE 90 3HG2 ILE 90 -5.659 11.997 1.705 674 HD11 ILE 90 1HD1 ILE 90 -2.518 9.905 2.816 675 HD12 ILE 90 2HD1 ILE 90 -3.650 11.132 3.450 676 HD13 ILE 90 3HD1 ILE 90 -3.340 11.014 1.701 677 H ILE 91 H ILE 91 -6.916 13.055 4.142 678 HA ILE 91 HA ILE 91 -9.838 12.469 3.793 679 HB ILE 91 HB ILE 91 -10.332 14.433 5.289 680 HG12 ILE 91 1HG1 ILE 91 -7.865 14.241 6.840 681 HG13 ILE 91 2HG1 ILE 91 -7.536 14.791 5.222 682 HG21 ILE 91 1HG2 ILE 91 -10.178 13.199 7.371 683 HG22 ILE 91 2HG2 ILE 91 -8.895 12.149 6.710 684 HG23 ILE 91 3HG2 ILE 91 -10.546 12.058 6.055 685 HD11 ILE 91 1HD1 ILE 91 -7.986 16.661 6.748 686 HD12 ILE 91 2HD1 ILE 91 -9.624 16.038 7.020 687 HD13 ILE 91 3HD1 ILE 91 -9.127 16.593 5.396 688 H TRP 92 H TRP 92 -10.541 13.318 1.963 689 HA TRP 92 HA TRP 92 -9.010 15.407 0.636 690 HB2 TRP 92 1HB TRP 92 -11.566 13.949 -0.075 691 HB3 TRP 92 2HB TRP 92 -10.759 15.129 -1.115 692 HD1 TRP 92 HD1 TRP 92 -10.506 11.551 0.052 693 HE1 TRP 92 HE1 TRP 92 -8.614 10.333 -1.116 694 HE3 TRP 92 HE3 TRP 92 -8.345 15.624 -2.181 695 HZ2 TRP 92 HZ2 TRP 92 -6.446 11.043 -2.784 696 HZ3 TRP 92 HZ3 TRP 92 -6.298 15.273 -3.556 697 HH2 TRP 92 HH2 TRP 92 -5.358 12.983 -3.863 698 H VAL 93 H VAL 93 -9.448 17.476 0.310 699 HA VAL 93 HA VAL 93 -12.035 18.611 1.238 700 HB VAL 93 HB VAL 93 -10.533 20.518 2.253 701 HG11 VAL 93 1HG1 VAL 93 -10.561 19.444 4.450 702 HG12 VAL 93 2HG1 VAL 93 -10.867 17.868 3.683 703 HG13 VAL 93 3HG1 VAL 93 -12.077 19.169 3.564 704 HG21 VAL 93 1HG2 VAL 93 -8.395 19.889 3.122 705 HG22 VAL 93 2HG2 VAL 93 -8.380 19.369 1.429 706 HG23 VAL 93 3HG2 VAL 93 -8.637 18.176 2.724 707 H ALA 94 H ALA 94 -12.404 20.744 0.332 708 HA ALA 94 HA ALA 94 -10.585 21.739 -1.731 709 HB1 ALA 94 1HB ALA 94 -11.820 19.834 -2.856 710 HB2 ALA 94 2HB ALA 94 -12.127 21.430 -3.581 711 HB3 ALA 94 3HB ALA 94 -13.344 20.690 -2.508 712 H THR 95 H THR 95 -11.630 23.763 -2.657 713 HA THR 95 HA THR 95 -13.824 24.810 -0.924 714 HB THR 95 HB THR 95 -11.606 25.928 -0.364 715 HG1 THR 95 HG1 THR 95 -13.006 27.971 -1.526 716 HG21 THR 95 1HG2 THR 95 -11.877 27.126 -3.140 717 HG22 THR 95 2HG2 THR 95 -10.686 25.878 -2.704 718 HG23 THR 95 3HG2 THR 95 -10.624 27.473 -1.928 719 H GLU 96 H GLU 96 -14.962 26.589 -2.228 720 HA GLU 96 HA GLU 96 -15.706 25.440 -4.748 721 HB2 GLU 96 1HB GLU 96 -17.176 26.758 -3.196 722 HB3 GLU 96 2HB GLU 96 -16.321 28.224 -3.698 723 HG2 GLU 96 1HG GLU 96 -17.064 27.905 -6.005 724 HG3 GLU 96 2HG GLU 96 -17.807 26.355 -5.580 725 H GLY 97 H GLY 97 -15.139 25.942 -6.785 726 HA2 GLY 97 1HA GLY 97 -14.307 27.321 -8.514 727 HA3 GLY 97 2HA GLY 97 -13.482 28.330 -7.319 728 H ALA 98 H ALA 98 -12.535 25.659 -6.063 729 HA ALA 98 HA ALA 98 -9.979 25.656 -7.349 730 HB1 ALA 98 1HB ALA 98 -10.384 25.135 -4.979 731 HB2 ALA 98 2HB ALA 98 -9.470 23.867 -5.820 732 HB3 ALA 98 3HB ALA 98 -11.203 23.631 -5.470 733 H LEU 99 H LEU 99 -9.059 24.272 -8.846 734 HA LEU 99 HA LEU 99 -11.003 22.713 -10.424 735 HB2 LEU 99 1HB LEU 99 -8.126 23.516 -10.920 736 HB3 LEU 99 2HB LEU 99 -9.083 22.533 -12.012 737 HG LEU 99 HG LEU 99 -9.548 25.444 -11.334 738 HD11 LEU 99 1HD1 LEU 99 -9.007 25.696 -13.738 739 HD12 LEU 99 2HD1 LEU 99 -8.752 23.933 -13.859 740 HD13 LEU 99 3HD1 LEU 99 -7.679 24.935 -12.847 741 HD21 LEU 99 1HD2 LEU 99 -11.194 23.572 -13.093 742 HD22 LEU 99 2HD2 LEU 99 -11.327 25.346 -13.089 743 HD23 LEU 99 3HD2 LEU 99 -11.746 24.434 -11.631 744 H ASN 100 H ASN 100 -11.009 20.637 -10.777 745 HA ASN 100 HA ASN 100 -9.448 18.901 -9.011 746 HB2 ASN 100 1HB ASN 100 -11.892 18.587 -9.558 747 HB3 ASN 100 2HB ASN 100 -11.419 18.159 -11.208 748 HD21 ASN 100 1HD2 ASN 100 -11.295 14.840 -10.208 749 HD22 ASN 100 2HD2 ASN 100 -11.916 16.052 -11.299 750 H THR 101 H THR 101 -7.483 19.915 -10.234 751 HA THR 101 HA THR 101 -6.610 17.942 -12.304 752 HB THR 101 HB THR 101 -7.299 20.303 -13.248 753 HG1 THR 101 HG1 THR 101 -5.562 20.212 -14.697 754 HG21 THR 101 1HG2 THR 101 -5.599 22.017 -13.127 755 HG22 THR 101 2HG2 THR 101 -4.578 20.982 -12.103 756 HG23 THR 101 3HG2 THR 101 -6.135 21.609 -11.486 757 HA PRO 102 HA PRO 102 -3.328 17.467 -9.468 758 HB2 PRO 102 1HB PRO 102 -1.263 17.843 -11.612 759 HB3 PRO 102 2HB PRO 102 -1.535 16.443 -10.528 760 HG2 PRO 102 1HG PRO 102 -2.237 16.304 -13.082 761 HG3 PRO 102 2HG PRO 102 -3.326 15.658 -11.815 762 HD2 PRO 102 1HD PRO 102 -3.445 18.294 -13.258 763 HD3 PRO 102 2HD PRO 102 -4.745 17.085 -12.981 764 H LYS 103 H LYS 103 -1.841 18.412 -8.142 765 HA LYS 103 HA LYS 103 -0.831 21.140 -8.797 766 HB2 LYS 103 1HB LYS 103 -2.065 20.032 -6.263 767 HB3 LYS 103 2HB LYS 103 -1.060 21.485 -6.274 768 HG2 LYS 103 1HG LYS 103 -2.941 22.573 -6.637 769 HG3 LYS 103 2HG LYS 103 -2.721 21.987 -8.296 770 HD2 LYS 103 1HD LYS 103 -4.074 19.989 -7.707 771 HD3 LYS 103 2HD LYS 103 -4.399 20.717 -6.129 772 HE2 LYS 103 1HE LYS 103 -6.172 21.008 -7.920 773 HE3 LYS 103 2HE LYS 103 -5.655 22.457 -7.065 774 HZ1 LYS 103 1HZ LYS 103 -4.301 23.045 -8.973 775 HZ2 LYS 103 2HZ LYS 103 -5.880 22.842 -9.411 776 HZ3 LYS 103 3HZ LYS 103 -4.769 21.669 -9.768 777 H ASP 104 H ASP 104 0.355 18.529 -9.215 778 HA ASP 104 HA ASP 104 2.158 17.716 -7.210 779 HB2 ASP 104 1HB ASP 104 3.431 16.719 -9.037 780 HB3 ASP 104 2HB ASP 104 1.699 16.495 -9.334 781 H HIS 105 H HIS 105 2.318 20.299 -9.603 782 HA HIS 105 HA HIS 105 5.025 21.050 -9.289 783 HB2 HIS 105 1HB HIS 105 4.386 23.110 -10.392 784 HB3 HIS 105 2HB HIS 105 3.533 21.751 -11.132 785 HD1 HIS 105 HD1 HIS 105 2.964 25.006 -9.365 786 HD2 HIS 105 HD2 HIS 105 0.692 21.684 -10.548 787 HE1 HIS 105 HE1 HIS 105 0.500 25.694 -9.224 788 H ILE 106 H ILE 106 2.520 21.419 -6.957 789 HA ILE 106 HA ILE 106 3.878 23.756 -5.726 790 HB ILE 106 HB ILE 106 1.374 22.338 -4.697 791 HG12 ILE 106 1HG1 ILE 106 1.592 24.584 -6.737 792 HG13 ILE 106 2HG1 ILE 106 0.981 22.956 -7.031 793 HG21 ILE 106 1HG2 ILE 106 0.930 24.557 -3.644 794 HG22 ILE 106 2HG2 ILE 106 2.416 25.210 -4.372 795 HG23 ILE 106 3HG2 ILE 106 2.494 23.933 -3.141 796 HD11 ILE 106 1HD1 ILE 106 -0.922 24.209 -6.859 797 HD12 ILE 106 2HD1 ILE 106 -0.309 25.188 -5.512 798 HD13 ILE 106 3HD1 ILE 106 -0.786 23.489 -5.245 799 H GLY 107 H GLY 107 3.644 20.275 -5.451 800 HA2 GLY 107 1HA GLY 107 4.249 20.176 -2.618 801 HA3 GLY 107 2HA GLY 107 4.244 18.825 -3.751 802 H THR 108 H THR 108 6.253 21.141 -5.036 803 HA THR 108 HA THR 108 8.599 19.553 -4.324 804 HB THR 108 HB THR 108 8.131 20.326 -6.662 805 HG1 THR 108 HG1 THR 108 10.513 21.185 -5.375 806 HG21 THR 108 1HG2 THR 108 8.870 23.097 -5.623 807 HG22 THR 108 2HG2 THR 108 7.242 22.596 -6.144 808 HG23 THR 108 3HG2 THR 108 8.575 22.638 -7.311 809 H ARG 109 H ARG 109 7.246 21.631 -2.333 810 HA ARG 109 HA ARG 109 9.310 23.604 -1.887 811 HB2 ARG 109 1HB ARG 109 6.978 23.693 -0.878 812 HB3 ARG 109 2HB ARG 109 7.470 22.386 0.208 813 HG2 ARG 109 1HG ARG 109 9.400 23.911 0.954 814 HG3 ARG 109 2HG ARG 109 8.602 25.206 0.049 815 HD2 ARG 109 1HD ARG 109 7.930 25.433 2.317 816 HD3 ARG 109 2HD ARG 109 6.554 24.774 1.442 817 HE ARG 109 HE ARG 109 6.713 22.796 2.647 818 HH11 ARG 109 1HH1 ARG 109 9.600 24.734 3.353 819 HH12 ARG 109 2HH1 ARG 109 10.041 23.722 4.690 820 HH21 ARG 109 1HH2 ARG 109 7.328 21.606 4.359 821 HH22 ARG 109 2HH2 ARG 109 8.801 21.963 5.238 822 H ASN 110 H ASN 110 11.276 23.370 -0.949 823 HA ASN 110 HA ASN 110 11.841 20.728 0.327 824 HB2 ASN 110 1HB ASN 110 13.293 22.353 -1.638 825 HB3 ASN 110 2HB ASN 110 14.296 21.904 -0.256 826 HD21 ASN 110 1HD2 ASN 110 14.943 18.897 -1.935 827 HD22 ASN 110 2HD2 ASN 110 15.581 20.415 -1.330 828 HA PRO 111 HA PRO 111 11.979 23.218 3.899 829 HB2 PRO 111 1HB PRO 111 13.237 21.610 5.711 830 HB3 PRO 111 2HB PRO 111 11.589 21.266 5.092 831 HG2 PRO 111 1HG PRO 111 14.223 20.159 4.134 832 HG3 PRO 111 2HG PRO 111 12.736 19.275 4.610 833 HD2 PRO 111 1HD PRO 111 13.269 19.807 2.024 834 HD3 PRO 111 2HD PRO 111 11.590 19.925 2.659 835 H ALA 112 H ALA 112 15.014 22.042 2.577 836 HA ALA 112 HA ALA 112 16.699 23.656 4.299 837 HB1 ALA 112 1HB ALA 112 17.516 21.619 3.130 838 HB2 ALA 112 2HB ALA 112 18.461 23.061 2.684 839 HB3 ALA 112 3HB ALA 112 17.240 22.424 1.559 840 H ASN 113 H ASN 113 14.790 24.193 1.455 841 HA ASN 113 HA ASN 113 16.314 26.620 0.711 842 HB2 ASN 113 1HB ASN 113 14.018 25.162 -0.649 843 HB3 ASN 113 2HB ASN 113 14.837 26.591 -1.285 844 HD21 ASN 113 1HD2 ASN 113 16.253 23.399 -2.708 845 HD22 ASN 113 2HD2 ASN 113 14.616 23.972 -2.494 846 H ASN 114 H ASN 114 13.335 25.701 2.285 847 HA ASN 114 HA ASN 114 12.694 28.519 2.751 848 HB2 ASN 114 1HB ASN 114 11.612 28.307 0.626 849 HB3 ASN 114 2HB ASN 114 10.912 26.734 1.065 850 HD21 ASN 114 1HD2 ASN 114 8.129 28.085 2.571 851 HD22 ASN 114 2HD2 ASN 114 8.942 26.755 1.785 852 H ALA 115 H ALA 115 11.206 28.856 4.420 853 HA ALA 115 HA ALA 115 10.941 26.569 6.257 854 HB1 ALA 115 1HB ALA 115 10.221 29.514 6.583 855 HB2 ALA 115 2HB ALA 115 11.751 28.752 7.086 856 HB3 ALA 115 3HB ALA 115 10.223 28.294 7.875 857 H ALA 116 H ALA 116 9.017 25.809 7.112 858 HA ALA 116 HA ALA 116 6.700 25.864 5.391 859 HB1 ALA 116 1HB ALA 116 5.702 24.370 7.069 860 HB2 ALA 116 2HB ALA 116 7.010 24.741 8.215 861 HB3 ALA 116 3HB ALA 116 7.363 23.851 6.713 862 H ILE 117 H ILE 117 4.659 26.682 5.817 863 HA ILE 117 HA ILE 117 4.636 29.183 7.397 864 HB ILE 117 HB ILE 117 2.567 27.930 5.547 865 HG12 ILE 117 1HG1 ILE 117 4.210 30.312 4.767 866 HG13 ILE 117 2HG1 ILE 117 4.950 28.722 4.652 867 HG21 ILE 117 1HG2 ILE 117 2.804 30.775 6.636 868 HG22 ILE 117 2HG2 ILE 117 1.529 29.598 7.030 869 HG23 ILE 117 3HG2 ILE 117 1.645 30.258 5.392 870 HD11 ILE 117 1HD1 ILE 117 3.051 27.943 3.276 871 HD12 ILE 117 2HD1 ILE 117 3.997 29.260 2.551 872 HD13 ILE 117 3HD1 ILE 117 2.417 29.610 3.288 873 H VAL 118 H VAL 118 3.328 29.443 9.293 874 HA VAL 118 HA VAL 118 2.320 27.137 10.682 875 HB VAL 118 HB VAL 118 1.571 30.099 10.937 876 HG11 VAL 118 1HG1 VAL 118 0.737 29.474 13.197 877 HG12 VAL 118 2HG1 VAL 118 0.988 27.760 12.799 878 HG13 VAL 118 3HG1 VAL 118 -0.206 28.723 11.896 879 HG21 VAL 118 1HG2 VAL 118 3.085 30.031 12.922 880 HG22 VAL 118 2HG2 VAL 118 3.950 29.678 11.414 881 HG23 VAL 118 3HG2 VAL 118 3.515 28.353 12.519 882 H LEU 119 H LEU 119 0.514 25.975 10.293 883 HA LEU 119 HA LEU 119 -1.093 26.574 8.000 884 HB2 LEU 119 1HB LEU 119 -0.554 24.314 9.019 885 HB3 LEU 119 2HB LEU 119 -1.773 24.644 10.241 886 HG LEU 119 HG LEU 119 -2.567 24.854 7.341 887 HD11 LEU 119 1HD1 LEU 119 -2.935 22.449 7.197 888 HD12 LEU 119 2HD1 LEU 119 -2.222 22.215 8.812 889 HD13 LEU 119 3HD1 LEU 119 -1.219 22.790 7.470 890 HD21 LEU 119 1HD2 LEU 119 -4.662 23.774 8.286 891 HD22 LEU 119 2HD2 LEU 119 -4.283 25.362 8.976 892 HD23 LEU 119 3HD2 LEU 119 -3.922 23.889 9.896 893 H GLN 120 H GLN 120 -2.895 27.706 7.760 894 HA GLN 120 HA GLN 120 -4.437 28.593 10.167 895 HB2 GLN 120 1HB GLN 120 -3.557 30.220 7.763 896 HB3 GLN 120 2HB GLN 120 -4.740 30.767 8.956 897 HG2 GLN 120 1HG GLN 120 -3.150 31.073 10.599 898 HG3 GLN 120 2HG GLN 120 -2.022 29.934 9.867 899 HE21 GLN 120 1HE2 GLN 120 -0.465 32.278 7.795 900 HE22 GLN 120 2HE2 GLN 120 -0.655 30.588 8.222 901 H LEU 121 H LEU 121 -6.672 29.058 9.629 902 HA LEU 121 HA LEU 121 -7.548 27.685 7.120 903 HB2 LEU 121 1HB LEU 121 -8.715 27.852 9.891 904 HB3 LEU 121 2HB LEU 121 -9.787 27.688 8.514 905 HG LEU 121 HG LEU 121 -7.637 25.690 9.280 906 HD11 LEU 121 1HD1 LEU 121 -9.680 24.318 9.824 907 HD12 LEU 121 2HD1 LEU 121 -10.646 25.785 9.604 908 HD13 LEU 121 3HD1 LEU 121 -9.423 25.723 10.882 909 HD21 LEU 121 1HD2 LEU 121 -9.768 25.654 7.101 910 HD22 LEU 121 2HD2 LEU 121 -8.897 24.209 7.655 911 HD23 LEU 121 3HD2 LEU 121 -8.018 25.538 6.898 912 HA PRO 122 HA PRO 122 -9.088 31.609 5.965 913 HB2 PRO 122 1HB PRO 122 -11.079 30.989 4.213 914 HB3 PRO 122 2HB PRO 122 -9.345 30.669 3.844 915 HG2 PRO 122 1HG PRO 122 -11.425 28.801 4.949 916 HG3 PRO 122 2HG PRO 122 -10.339 28.565 3.545 917 HD2 PRO 122 1HD PRO 122 -9.746 27.558 5.958 918 HD3 PRO 122 2HD PRO 122 -8.467 28.238 4.893 919 H GLN 123 H GLN 123 -11.053 32.990 5.919 920 HA GLN 123 HA GLN 123 -12.419 32.921 8.374 921 HB2 GLN 123 1HB GLN 123 -12.091 34.896 6.845 922 HB3 GLN 123 2HB GLN 123 -13.337 34.228 5.783 923 HG2 GLN 123 1HG GLN 123 -15.011 34.457 7.555 924 HG3 GLN 123 2HG GLN 123 -13.768 35.018 8.685 925 HE21 GLN 123 1HE2 GLN 123 -14.973 38.213 7.789 926 HE22 GLN 123 2HE2 GLN 123 -15.041 36.935 8.979 927 H GLY 124 H GLY 124 -14.241 31.967 9.092 928 HA2 GLY 124 1HA GLY 124 -16.383 31.014 8.904 929 HA3 GLY 124 2HA GLY 124 -16.157 30.828 7.162 930 H THR 125 H THR 125 -13.323 29.614 8.041 931 HA THR 125 HA THR 125 -14.493 26.902 8.460 932 HB THR 125 HB THR 125 -11.722 27.566 7.405 933 HG1 THR 125 HG1 THR 125 -13.451 28.355 6.057 934 HG21 THR 125 1HG2 THR 125 -13.446 25.059 7.216 935 HG22 THR 125 2HG2 THR 125 -12.050 25.244 8.268 936 HG23 THR 125 3HG2 THR 125 -11.844 25.277 6.510 937 H THR 126 H THR 126 -14.167 25.862 10.283 938 HA THR 126 HA THR 126 -12.095 26.897 12.163 939 HB THR 126 HB THR 126 -13.693 25.868 13.916 940 HG1 THR 126 HG1 THR 126 -15.853 25.744 13.195 941 HG21 THR 126 1HG2 THR 126 -15.050 27.890 14.015 942 HG22 THR 126 2HG2 THR 126 -14.656 28.271 12.322 943 HG23 THR 126 3HG2 THR 126 -13.379 28.299 13.565 944 H LEU 127 H LEU 127 -10.955 25.429 13.387 945 HA LEU 127 HA LEU 127 -10.483 22.853 12.152 946 HB2 LEU 127 1HB LEU 127 -9.676 23.918 14.865 947 HB3 LEU 127 2HB LEU 127 -9.066 22.443 14.169 948 HG LEU 127 HG LEU 127 -8.585 25.177 12.954 949 HD11 LEU 127 1HD1 LEU 127 -6.335 25.028 13.901 950 HD12 LEU 127 2HD1 LEU 127 -6.753 23.490 14.693 951 HD13 LEU 127 3HD1 LEU 127 -7.555 24.994 15.193 952 HD21 LEU 127 1HD2 LEU 127 -6.836 24.003 11.688 953 HD22 LEU 127 2HD2 LEU 127 -8.416 23.269 11.386 954 HD23 LEU 127 3HD2 LEU 127 -7.271 22.469 12.480 955 HA PRO 128 HA PRO 128 -13.588 20.720 14.433 956 HB2 PRO 128 1HB PRO 128 -12.685 18.152 14.478 957 HB3 PRO 128 2HB PRO 128 -13.198 18.955 12.960 958 HG2 PRO 128 1HG PRO 128 -10.470 18.527 14.050 959 HG3 PRO 128 2HG PRO 128 -11.083 18.289 12.394 960 HD2 PRO 128 1HD PRO 128 -9.689 20.511 13.232 961 HD3 PRO 128 2HD PRO 128 -10.869 20.552 11.893 962 H LYS 129 H LYS 129 -13.834 19.203 16.431 963 HA LYS 129 HA LYS 129 -12.798 20.577 18.630 964 HB2 LYS 129 1HB LYS 129 -14.819 19.120 18.609 965 HB3 LYS 129 2HB LYS 129 -13.781 17.694 18.540 966 HG2 LYS 129 1HG LYS 129 -13.333 19.630 20.784 967 HG3 LYS 129 2HG LYS 129 -14.801 18.640 20.837 968 HD2 LYS 129 1HD LYS 129 -13.646 16.668 21.158 969 HD3 LYS 129 2HD LYS 129 -12.241 17.210 20.230 970 HE2 LYS 129 1HE LYS 129 -11.723 18.827 22.111 971 HE3 LYS 129 2HE LYS 129 -12.983 18.011 23.062 972 HZ1 LYS 129 1HZ LYS 129 -10.851 17.057 23.546 973 HZ2 LYS 129 2HZ LYS 129 -10.515 16.784 21.953 974 HZ3 LYS 129 3HZ LYS 129 -11.717 15.933 22.703 975 H GLY 130 H GLY 130 -10.938 20.653 19.635 976 HA2 GLY 130 1HA GLY 130 -9.141 19.765 20.809 977 HA3 GLY 130 2HA GLY 130 -9.427 18.202 20.052 978 H PHE 131 H PHE 131 -9.229 20.333 17.496 979 HA PHE 131 HA PHE 131 -6.453 19.538 17.086 980 HB2 PHE 131 1HB PHE 131 -8.793 20.100 15.408 981 HB3 PHE 131 2HB PHE 131 -7.304 20.848 14.825 982 HD1 PHE 131 HD1 PHE 131 -5.355 19.499 14.239 983 HD2 PHE 131 HD2 PHE 131 -9.065 17.677 15.383 984 HE1 PHE 131 HE1 PHE 131 -4.589 17.341 13.250 985 HE2 PHE 131 HE2 PHE 131 -8.321 15.523 14.385 986 HZ PHE 131 HZ PHE 131 -6.081 15.361 13.317 987 H TYR 132 H TYR 132 -4.885 20.849 16.795 988 HA TYR 132 HA TYR 132 -5.301 23.772 16.672 989 HB2 TYR 132 1HB TYR 132 -3.641 24.213 18.396 990 HB3 TYR 132 2HB TYR 132 -4.995 23.297 19.056 991 HD1 TYR 132 HD1 TYR 132 -1.387 23.335 18.450 992 HD2 TYR 132 HD2 TYR 132 -4.697 20.824 19.603 993 HE1 TYR 132 HE1 TYR 132 0.195 21.690 19.458 994 HE2 TYR 132 HE2 TYR 132 -3.107 19.197 20.605 995 HH TYR 132 HH TYR 132 -0.933 18.733 21.108 996 H ALA 133 H ALA 133 -3.266 24.873 16.015 997 HA ALA 133 HA ALA 133 -1.853 23.137 14.065 998 HB1 ALA 133 1HB ALA 133 -3.131 25.018 13.106 999 HB2 ALA 133 2HB ALA 133 -1.387 25.242 12.847 1000 HB3 ALA 133 3HB ALA 133 -2.221 26.160 14.117 1001 H GLU 134 H GLU 134 0.313 23.090 13.834 1002 HA GLU 134 HA GLU 134 1.873 23.603 16.225 1003 HB2 GLU 134 1HB GLU 134 2.390 21.724 14.789 1004 HB3 GLU 134 2HB GLU 134 2.551 22.772 13.392 1005 HG2 GLU 134 1HG GLU 134 4.738 22.140 14.034 1006 HG3 GLU 134 2HG GLU 134 4.546 23.839 14.483 1007 H GLY 135 H GLY 135 3.178 25.282 16.711 1008 HA2 GLY 135 1HA GLY 135 4.350 27.265 16.405 1009 HA3 GLY 135 2HA GLY 135 3.936 27.250 14.689 1010 H SER 136 H SER 136 0.971 26.872 15.984 1011 HA SER 136 HA SER 136 0.465 29.766 15.757 1012 HB2 SER 136 1HB SER 136 -1.019 28.110 14.643 1013 HB3 SER 136 2HB SER 136 -1.478 27.481 16.240 1014 HG SER 136 HG SER 136 -2.941 29.075 15.401 1015 H ARG 137 H ARG 137 0.430 31.082 17.445 1016 HA ARG 137 HA ARG 137 0.107 29.927 20.169 1017 HB2 ARG 137 1HB ARG 137 1.179 32.518 19.055 1018 HB3 ARG 137 2HB ARG 137 0.632 32.443 20.731 1019 HG2 ARG 137 1HG ARG 137 2.666 30.493 19.635 1020 HG3 ARG 137 2HG ARG 137 3.114 32.065 20.333 1021 HD2 ARG 137 1HD ARG 137 1.948 31.479 22.428 1022 HD3 ARG 137 2HD ARG 137 1.510 29.899 21.749 1023 HE ARG 137 HE ARG 137 4.325 30.205 21.577 1024 HH11 ARG 137 1HH1 ARG 137 1.861 29.791 24.068 1025 HH12 ARG 137 2HH1 ARG 137 2.962 28.993 25.160 1026 HH21 ARG 137 1HH2 ARG 137 5.677 29.181 23.023 1027 HH22 ARG 137 2HH2 ARG 137 5.087 28.666 24.579 1028 H GLY 138 H GLY 138 -1.639 31.743 17.791 1029 HA2 GLY 138 1HA GLY 138 -3.886 32.332 17.841 1030 HA3 GLY 138 2HA GLY 138 -3.971 31.838 19.538 1031 H GLY 139 H GLY 139 -1.984 33.429 20.681 1032 HA2 GLY 139 1HA GLY 139 -2.227 36.203 19.907 1033 HA3 GLY 139 2HA GLY 139 -3.269 35.798 21.298 1034 H SER 140 H SER 140 -1.651 37.370 22.371 1035 HA SER 140 HA SER 140 0.314 35.789 23.840 1036 HB2 SER 140 1HB SER 140 1.673 36.518 21.869 1037 HB3 SER 140 2HB SER 140 1.175 38.200 22.177 1038 HG SER 140 HG SER 140 2.033 37.684 24.412 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 13.698 -3.198 4.320 2 H2 GLY 1 2H GLY 1 13.608 -2.770 2.729 3 H3 GLY 1 3H GLY 1 12.651 -2.016 3.839 4 HA2 GLY 1 1HA GLY 1 14.572 -1.060 4.926 5 HA3 GLY 1 2HA GLY 1 15.591 -1.850 3.705 6 H ALA 2 H ALA 2 16.391 0.277 3.085 7 HA ALA 2 HA ALA 2 16.426 2.159 1.824 8 HB1 ALA 2 1HB ALA 2 16.148 0.382 0.104 9 HB2 ALA 2 2HB ALA 2 15.487 1.949 -0.415 10 HB3 ALA 2 3HB ALA 2 14.387 0.662 0.127 11 H MET 3 H MET 3 14.546 2.507 4.004 12 HA MET 3 HA MET 3 12.212 3.869 2.882 13 HB2 MET 3 1HB MET 3 11.590 4.295 5.171 14 HB3 MET 3 2HB MET 3 12.118 2.617 5.016 15 HG2 MET 3 1HG MET 3 14.300 3.198 6.007 16 HG3 MET 3 2HG MET 3 13.791 4.893 6.141 17 HE1 MET 3 1HE MET 3 13.667 3.791 9.902 18 HE2 MET 3 2HE MET 3 14.275 4.990 8.735 19 HE3 MET 3 3HE MET 3 14.872 3.314 8.684 20 H GLY 4 H GLY 4 15.153 4.821 2.487 21 HA2 GLY 4 1HA GLY 4 14.754 7.637 3.412 22 HA3 GLY 4 2HA GLY 4 16.331 6.852 3.225 23 H LEU 5 H LEU 5 13.495 6.775 1.050 24 HA LEU 5 HA LEU 5 15.097 7.162 -1.283 25 HB2 LEU 5 1HB LEU 5 12.124 7.643 -0.854 26 HB3 LEU 5 2HB LEU 5 12.916 7.526 -2.423 27 HG LEU 5 HG LEU 5 12.718 5.275 -0.390 28 HD11 LEU 5 1HD1 LEU 5 11.084 4.306 -1.948 29 HD12 LEU 5 2HD1 LEU 5 11.220 5.734 -3.000 30 HD13 LEU 5 3HD1 LEU 5 10.539 5.891 -1.362 31 HD21 LEU 5 1HD2 LEU 5 13.466 3.834 -2.275 32 HD22 LEU 5 2HD2 LEU 5 14.708 5.005 -1.798 33 HD23 LEU 5 3HD2 LEU 5 13.738 5.287 -3.265 34 HA PRO 6 HA PRO 6 15.599 11.557 -1.117 35 HB2 PRO 6 1HB PRO 6 16.278 12.151 -3.675 36 HB3 PRO 6 2HB PRO 6 17.291 11.079 -2.665 37 HG2 PRO 6 1HG PRO 6 15.179 10.322 -4.669 38 HG3 PRO 6 2HG PRO 6 16.884 9.778 -4.574 39 HD2 PRO 6 1HD PRO 6 14.852 8.320 -3.525 40 HD3 PRO 6 2HD PRO 6 16.466 8.393 -2.738 41 H ASN 7 H ASN 7 12.911 11.108 -0.959 42 HA ASN 7 HA ASN 7 11.614 12.782 -3.048 43 HB2 ASN 7 1HB ASN 7 10.626 10.562 -2.643 44 HB3 ASN 7 2HB ASN 7 10.425 10.959 -0.929 45 HD21 ASN 7 1HD2 ASN 7 7.194 11.963 -1.732 46 HD22 ASN 7 2HD2 ASN 7 8.217 10.813 -0.903 47 H ASN 8 H ASN 8 12.375 14.726 -2.290 48 HA ASN 8 HA ASN 8 12.161 15.660 0.410 49 HB2 ASN 8 1HB ASN 8 12.670 16.901 -2.267 50 HB3 ASN 8 2HB ASN 8 12.207 17.962 -0.932 51 HD21 ASN 8 1HD2 ASN 8 15.934 16.503 -1.137 52 HD22 ASN 8 2HD2 ASN 8 14.741 16.218 -2.379 53 H THR 9 H THR 9 9.716 15.594 -2.049 54 HA THR 9 HA THR 9 8.180 17.751 -1.856 55 HB THR 9 HB THR 9 6.152 16.302 -2.269 56 HG1 THR 9 HG1 THR 9 7.917 14.104 -2.382 57 HG21 THR 9 1HG2 THR 9 6.953 15.396 -4.405 58 HG22 THR 9 2HG2 THR 9 8.637 15.574 -3.876 59 HG23 THR 9 3HG2 THR 9 7.624 17.014 -4.125 60 H ALA 10 H ALA 10 8.026 18.860 -0.151 61 HA ALA 10 HA ALA 10 6.855 17.643 2.280 62 HB1 ALA 10 1HB ALA 10 8.491 20.155 1.944 63 HB2 ALA 10 2HB ALA 10 9.145 18.547 2.329 64 HB3 ALA 10 3HB ALA 10 8.037 19.354 3.478 65 H SER 11 H SER 11 5.251 18.581 3.412 66 HA SER 11 HA SER 11 3.206 19.977 2.008 67 HB2 SER 11 1HB SER 11 2.260 20.277 4.325 68 HB3 SER 11 2HB SER 11 2.725 18.603 3.954 69 HG SER 11 HG SER 11 4.001 20.489 5.616 70 H TRP 12 H TRP 12 2.649 22.121 1.924 71 HA TRP 12 HA TRP 12 4.716 24.059 2.328 72 HB2 TRP 12 1HB TRP 12 1.929 24.068 1.346 73 HB3 TRP 12 2HB TRP 12 2.502 25.590 2.052 74 HD1 TRP 12 HD1 TRP 12 2.775 23.546 -1.066 75 HE1 TRP 12 HE1 TRP 12 4.397 24.555 -2.727 76 HE3 TRP 12 HE3 TRP 12 4.862 27.020 2.045 77 HZ2 TRP 12 HZ2 TRP 12 6.385 26.598 -2.717 78 HZ3 TRP 12 HZ3 TRP 12 6.677 28.493 1.147 79 HH2 TRP 12 HH2 TRP 12 7.434 28.257 -1.223 80 H PHE 13 H PHE 13 2.342 22.836 4.484 81 HA PHE 13 HA PHE 13 2.729 25.214 6.220 82 HB2 PHE 13 1HB PHE 13 0.305 23.419 6.074 83 HB3 PHE 13 2HB PHE 13 0.461 24.939 6.965 84 HD1 PHE 13 HD1 PHE 13 -0.190 23.366 3.745 85 HD2 PHE 13 HD2 PHE 13 0.587 27.096 5.725 86 HE1 PHE 13 HE1 PHE 13 -0.919 24.582 1.716 87 HE2 PHE 13 HE2 PHE 13 -0.124 28.329 3.684 88 HZ PHE 13 HZ PHE 13 -0.849 27.054 1.662 89 H THR 14 H THR 14 2.459 24.897 8.491 90 HA THR 14 HA THR 14 3.990 22.638 9.432 91 HB THR 14 HB THR 14 3.492 23.509 11.681 92 HG1 THR 14 HG1 THR 14 2.088 25.188 11.975 93 HG21 THR 14 1HG2 THR 14 4.485 25.738 11.480 94 HG22 THR 14 2HG2 THR 14 4.168 25.737 9.734 95 HG23 THR 14 3HG2 THR 14 5.317 24.571 10.429 96 H ALA 15 H ALA 15 3.177 21.185 11.156 97 HA ALA 15 HA ALA 15 0.842 19.865 10.091 98 HB1 ALA 15 1HB ALA 15 2.229 19.059 12.623 99 HB2 ALA 15 2HB ALA 15 3.058 18.904 11.065 100 HB3 ALA 15 3HB ALA 15 1.528 18.051 11.326 101 H LEU 16 H LEU 16 -1.062 19.395 11.007 102 HA LEU 16 HA LEU 16 -1.950 20.987 13.350 103 HB2 LEU 16 1HB LEU 16 -3.294 19.071 11.413 104 HB3 LEU 16 2HB LEU 16 -4.067 19.652 12.866 105 HG LEU 16 HG LEU 16 -3.236 21.367 10.537 106 HD11 LEU 16 1HD1 LEU 16 -5.659 21.572 10.171 107 HD12 LEU 16 2HD1 LEU 16 -5.975 20.507 11.563 108 HD13 LEU 16 3HD1 LEU 16 -5.168 19.867 10.114 109 HD21 LEU 16 1HD2 LEU 16 -4.619 23.101 11.773 110 HD22 LEU 16 2HD2 LEU 16 -3.062 22.701 12.515 111 HD23 LEU 16 3HD2 LEU 16 -4.569 22.028 13.188 112 H THR 17 H THR 17 -2.605 19.915 15.281 113 HA THR 17 HA THR 17 -1.657 17.075 15.499 114 HB THR 17 HB THR 17 -1.568 19.190 17.671 115 HG1 THR 17 HG1 THR 17 -0.162 19.801 16.058 116 HG21 THR 17 1HG2 THR 17 0.135 17.578 18.606 117 HG22 THR 17 2HG2 THR 17 -0.360 16.419 17.351 118 HG23 THR 17 3HG2 THR 17 -1.531 16.966 18.581 119 H GLN 18 H GLN 18 -2.967 15.729 16.748 120 HA GLN 18 HA GLN 18 -5.732 16.769 17.222 121 HB2 GLN 18 1HB GLN 18 -5.618 15.096 15.471 122 HB3 GLN 18 2HB GLN 18 -4.560 14.079 16.420 123 HG2 GLN 18 1HG GLN 18 -6.751 13.052 16.268 124 HG3 GLN 18 2HG GLN 18 -6.424 13.487 17.941 125 HE21 GLN 18 1HE2 GLN 18 -9.886 14.502 16.487 126 HE22 GLN 18 2HE2 GLN 18 -8.877 13.138 16.031 127 H HIS 19 H HIS 19 -6.873 16.060 19.046 128 HA HIS 19 HA HIS 19 -5.453 14.366 21.040 129 HB2 HIS 19 1HB HIS 19 -5.132 16.672 21.849 130 HB3 HIS 19 2HB HIS 19 -6.853 17.004 21.636 131 HD1 HIS 19 HD1 HIS 19 -4.463 15.162 23.926 132 HD2 HIS 19 HD2 HIS 19 -8.528 16.009 23.606 133 HE1 HIS 19 HE1 HIS 19 -5.525 14.514 26.131 134 H GLY 20 H GLY 20 -6.790 12.617 20.614 135 HA2 GLY 20 1HA GLY 20 -9.317 12.370 21.678 136 HA3 GLY 20 2HA GLY 20 -9.610 12.999 20.043 137 H LYS 21 H LYS 21 -10.732 10.776 20.033 138 HA LYS 21 HA LYS 21 -8.813 8.564 19.451 139 HB2 LYS 21 1HB LYS 21 -11.821 8.650 19.883 140 HB3 LYS 21 2HB LYS 21 -10.945 7.210 19.358 141 HG2 LYS 21 1HG LYS 21 -9.565 7.345 21.448 142 HG3 LYS 21 2HG LYS 21 -10.616 8.668 21.999 143 HD2 LYS 21 1HD LYS 21 -12.581 7.168 21.828 144 HD3 LYS 21 2HD LYS 21 -11.524 5.850 21.280 145 HE2 LYS 21 1HE LYS 21 -10.269 5.984 23.422 146 HE3 LYS 21 2HE LYS 21 -11.370 7.263 23.976 147 HZ1 LYS 21 1HZ LYS 21 -12.033 5.088 24.810 148 HZ2 LYS 21 2HZ LYS 21 -12.169 4.489 23.279 149 HZ3 LYS 21 3HZ LYS 21 -13.197 5.672 23.796 150 H GLU 22 H GLU 22 -10.965 10.781 17.899 151 HA GLU 22 HA GLU 22 -11.311 9.169 15.486 152 HB2 GLU 22 1HB GLU 22 -12.522 11.192 14.679 153 HB3 GLU 22 2HB GLU 22 -13.129 10.552 16.203 154 HG2 GLU 22 1HG GLU 22 -11.678 12.315 17.373 155 HG3 GLU 22 2HG GLU 22 -11.493 13.057 15.773 156 H ASP 23 H ASP 23 -10.747 10.069 13.335 157 HA ASP 23 HA ASP 23 -7.901 10.590 13.310 158 HB2 ASP 23 1HB ASP 23 -10.093 10.126 11.313 159 HB3 ASP 23 2HB ASP 23 -8.631 10.935 10.734 160 H LEU 24 H LEU 24 -10.564 12.367 11.764 161 HA LEU 24 HA LEU 24 -10.276 15.017 12.364 162 HB2 LEU 24 1HB LEU 24 -7.895 15.038 11.724 163 HB3 LEU 24 2HB LEU 24 -8.246 14.210 10.229 164 HG LEU 24 HG LEU 24 -9.326 16.218 9.342 165 HD11 LEU 24 1HD1 LEU 24 -8.455 17.632 11.889 166 HD12 LEU 24 2HD1 LEU 24 -10.130 17.243 11.467 167 HD13 LEU 24 3HD1 LEU 24 -9.210 18.372 10.465 168 HD21 LEU 24 1HD2 LEU 24 -7.285 17.578 9.122 169 HD22 LEU 24 2HD2 LEU 24 -6.923 15.843 9.007 170 HD23 LEU 24 3HD2 LEU 24 -6.564 16.726 10.508 171 H LYS 25 H LYS 25 -11.792 16.115 10.993 172 HA LYS 25 HA LYS 25 -12.204 15.121 8.286 173 HB2 LYS 25 1HB LYS 25 -13.682 13.622 9.659 174 HB3 LYS 25 2HB LYS 25 -14.514 15.053 10.276 175 HG2 LYS 25 1HG LYS 25 -15.847 14.036 8.516 176 HG3 LYS 25 2HG LYS 25 -15.251 15.605 7.957 177 HD2 LYS 25 1HD LYS 25 -13.415 14.426 6.714 178 HD3 LYS 25 2HD LYS 25 -14.109 12.873 7.222 179 HE2 LYS 25 1HE LYS 25 -16.211 13.437 6.057 180 HE3 LYS 25 2HE LYS 25 -15.539 15.017 5.592 181 HZ1 LYS 25 1HZ LYS 25 -15.342 13.376 3.813 182 HZ2 LYS 25 2HZ LYS 25 -14.421 12.394 4.768 183 HZ3 LYS 25 3HZ LYS 25 -13.852 13.875 4.311 184 H PHE 26 H PHE 26 -12.977 16.726 6.975 185 HA PHE 26 HA PHE 26 -13.882 19.248 8.297 186 HB2 PHE 26 1HB PHE 26 -12.043 18.826 5.919 187 HB3 PHE 26 2HB PHE 26 -12.914 20.340 6.175 188 HD1 PHE 26 HD1 PHE 26 -9.737 19.220 6.401 189 HD2 PHE 26 HD2 PHE 26 -12.745 20.879 9.021 190 HE1 PHE 26 HE1 PHE 26 -7.967 20.026 7.942 191 HE2 PHE 26 HE2 PHE 26 -10.964 21.718 10.532 192 HZ PHE 26 HZ PHE 26 -8.565 21.284 9.996 193 HA PRO 27 HA PRO 27 -17.431 18.622 5.734 194 HB2 PRO 27 1HB PRO 27 -18.446 21.163 5.534 195 HB3 PRO 27 2HB PRO 27 -18.465 20.230 7.060 196 HG2 PRO 27 1HG PRO 27 -16.629 22.356 6.191 197 HG3 PRO 27 2HG PRO 27 -17.400 22.095 7.763 198 HD2 PRO 27 1HD PRO 27 -14.806 21.405 7.189 199 HD3 PRO 27 2HD PRO 27 -15.815 20.560 8.414 200 H ARG 28 H ARG 28 -18.442 19.154 3.625 201 HA ARG 28 HA ARG 28 -16.474 19.289 1.540 202 HB2 ARG 28 1HB ARG 28 -18.660 18.087 1.398 203 HB3 ARG 28 2HB ARG 28 -19.501 19.638 1.387 204 HG2 ARG 28 1HG ARG 28 -17.428 19.182 -0.741 205 HG3 ARG 28 2HG ARG 28 -18.944 18.270 -0.857 206 HD2 ARG 28 1HD ARG 28 -20.226 20.413 -0.704 207 HD3 ARG 28 2HD ARG 28 -18.694 21.304 -0.690 208 HE ARG 28 HE ARG 28 -18.873 19.551 -2.974 209 HH11 ARG 28 1HH1 ARG 28 -19.970 22.705 -1.805 210 HH12 ARG 28 2HH1 ARG 28 -20.167 23.336 -3.418 211 HH21 ARG 28 1HH2 ARG 28 -19.180 20.427 -5.004 212 HH22 ARG 28 2HH2 ARG 28 -19.734 22.070 -5.183 213 H GLY 29 H GLY 29 -15.696 20.954 0.355 214 HA2 GLY 29 1HA GLY 29 -15.733 23.056 -0.682 215 HA3 GLY 29 2HA GLY 29 -17.171 23.498 0.254 216 H GLN 30 H GLN 30 -15.011 22.106 2.344 217 HA GLN 30 HA GLN 30 -13.663 24.656 3.080 218 HB2 GLN 30 1HB GLN 30 -15.675 23.024 4.580 219 HB3 GLN 30 2HB GLN 30 -14.408 23.841 5.482 220 HG2 GLN 30 1HG GLN 30 -15.138 25.986 4.618 221 HG3 GLN 30 2HG GLN 30 -16.407 25.182 3.668 222 HE21 GLN 30 1HE2 GLN 30 -16.755 25.426 7.748 223 HE22 GLN 30 2HE2 GLN 30 -15.175 25.587 6.988 224 H GLY 31 H GLY 31 -12.173 24.232 4.958 225 HA2 GLY 31 1HA GLY 31 -10.990 22.626 6.313 226 HA3 GLY 31 2HA GLY 31 -11.205 21.415 5.041 227 H VAL 32 H VAL 32 -10.573 23.486 2.979 228 HA VAL 32 HA VAL 32 -7.769 22.982 2.770 229 HB VAL 32 HB VAL 32 -9.507 25.135 1.446 230 HG11 VAL 32 1HG1 VAL 32 -7.713 25.090 -0.292 231 HG12 VAL 32 2HG1 VAL 32 -6.730 24.110 0.798 232 HG13 VAL 32 3HG1 VAL 32 -7.209 25.766 1.246 233 HG21 VAL 32 1HG2 VAL 32 -9.566 23.592 -0.490 234 HG22 VAL 32 2HG2 VAL 32 -10.313 22.857 0.942 235 HG23 VAL 32 3HG2 VAL 32 -8.669 22.378 0.445 236 HA PRO 33 HA PRO 33 -6.649 26.205 5.648 237 HB2 PRO 33 1HB PRO 33 -3.939 26.010 5.436 238 HB3 PRO 33 2HB PRO 33 -4.932 24.768 6.259 239 HG2 PRO 33 1HG PRO 33 -3.828 24.768 3.506 240 HG3 PRO 33 2HG PRO 33 -3.813 23.483 4.728 241 HD2 PRO 33 1HD PRO 33 -5.598 23.515 2.729 242 HD3 PRO 33 2HD PRO 33 -5.973 22.857 4.353 243 H ILE 34 H ILE 34 -5.229 28.234 5.571 244 HA ILE 34 HA ILE 34 -5.880 29.638 3.126 245 HB ILE 34 HB ILE 34 -4.134 30.476 5.471 246 HG12 ILE 34 1HG1 ILE 34 -7.003 31.146 4.733 247 HG13 ILE 34 2HG1 ILE 34 -6.521 29.993 5.978 248 HG21 ILE 34 1HG2 ILE 34 -4.322 32.760 4.599 249 HG22 ILE 34 2HG2 ILE 34 -5.342 32.197 3.248 250 HG23 ILE 34 3HG2 ILE 34 -3.629 31.732 3.342 251 HD11 ILE 34 1HD1 ILE 34 -7.104 32.013 7.060 252 HD12 ILE 34 2HD1 ILE 34 -6.069 32.966 5.982 253 HD13 ILE 34 3HD1 ILE 34 -5.343 31.844 7.158 254 H ASN 35 H ASN 35 -4.925 29.184 1.354 255 HA ASN 35 HA ASN 35 -2.042 28.488 1.373 256 HB2 ASN 35 1HB ASN 35 -4.064 28.178 -0.851 257 HB3 ASN 35 2HB ASN 35 -2.387 27.647 -0.898 258 HD21 ASN 35 1HD2 ASN 35 -4.793 24.876 -0.012 259 HD22 ASN 35 2HD2 ASN 35 -4.862 26.135 -1.217 260 H THR 36 H THR 36 -1.269 30.588 1.680 261 HA THR 36 HA THR 36 -1.978 32.821 0.029 262 HB THR 36 HB THR 36 0.099 33.824 0.962 263 HG1 THR 36 HG1 THR 36 1.465 32.531 2.189 264 HG21 THR 36 1HG2 THR 36 -1.994 33.591 2.376 265 HG22 THR 36 2HG2 THR 36 -0.477 33.697 3.296 266 HG23 THR 36 3HG2 THR 36 -1.267 32.119 3.074 267 H ASN 37 H ASN 37 -0.068 30.090 -0.584 268 HA ASN 37 HA ASN 37 1.470 31.443 -2.752 269 HB2 ASN 37 1HB ASN 37 2.962 29.473 -2.622 270 HB3 ASN 37 2HB ASN 37 2.816 30.286 -1.058 271 HD21 ASN 37 1HD2 ASN 37 1.513 27.538 0.624 272 HD22 ASN 37 2HD2 ASN 37 2.048 29.203 0.673 273 H SER 38 H SER 38 -1.455 30.452 -2.890 274 HA SER 38 HA SER 38 -1.020 28.751 -5.298 275 HB2 SER 38 1HB SER 38 -3.033 28.137 -3.115 276 HB3 SER 38 2HB SER 38 -2.707 27.176 -4.561 277 HG SER 38 HG SER 38 -0.392 27.486 -3.397 278 H SER 39 H SER 39 -2.590 28.815 -6.881 279 HA SER 39 HA SER 39 -4.248 31.210 -7.011 280 HB2 SER 39 1HB SER 39 -4.612 28.853 -8.844 281 HB3 SER 39 2HB SER 39 -4.517 30.584 -9.238 282 HG SER 39 HG SER 39 -2.510 28.674 -8.948 283 HA PRO 40 HA PRO 40 -7.884 29.434 -5.373 284 HB2 PRO 40 1HB PRO 40 -9.971 29.919 -7.076 285 HB3 PRO 40 2HB PRO 40 -9.188 31.199 -6.089 286 HG2 PRO 40 1HG PRO 40 -8.656 30.470 -8.957 287 HG3 PRO 40 2HG PRO 40 -9.029 32.076 -8.251 288 HD2 PRO 40 1HD PRO 40 -6.489 31.339 -8.728 289 HD3 PRO 40 2HD PRO 40 -6.908 32.245 -7.231 290 H ASP 41 H ASP 41 -7.191 28.678 -8.747 291 HA ASP 41 HA ASP 41 -8.652 26.276 -9.085 292 HB2 ASP 41 1HB ASP 41 -5.875 26.969 -10.129 293 HB3 ASP 41 2HB ASP 41 -7.030 25.854 -10.867 294 H ASP 42 H ASP 42 -5.823 27.023 -7.235 295 HA ASP 42 HA ASP 42 -4.850 24.251 -7.234 296 HB2 ASP 42 1HB ASP 42 -3.682 26.871 -6.329 297 HB3 ASP 42 2HB ASP 42 -2.895 25.324 -6.041 298 H GLN 43 H GLN 43 -6.942 25.997 -5.311 299 HA GLN 43 HA GLN 43 -5.954 25.511 -2.699 300 HB2 GLN 43 1HB GLN 43 -8.807 25.694 -3.722 301 HB3 GLN 43 2HB GLN 43 -8.340 25.793 -2.032 302 HG2 GLN 43 1HG GLN 43 -7.603 27.722 -4.222 303 HG3 GLN 43 2HG GLN 43 -8.703 28.023 -2.880 304 HE21 GLN 43 1HE2 GLN 43 -4.858 28.908 -2.554 305 HE22 GLN 43 2HE2 GLN 43 -5.716 28.633 -4.048 306 H ILE 44 H ILE 44 -7.567 23.283 -4.878 307 HA ILE 44 HA ILE 44 -8.582 21.458 -2.974 308 HB ILE 44 HB ILE 44 -9.211 21.532 -5.341 309 HG12 ILE 44 1HG1 ILE 44 -8.109 18.778 -4.864 310 HG13 ILE 44 2HG1 ILE 44 -9.397 19.443 -3.854 311 HG21 ILE 44 1HG2 ILE 44 -6.391 20.547 -5.837 312 HG22 ILE 44 2HG2 ILE 44 -7.189 22.005 -6.473 313 HG23 ILE 44 3HG2 ILE 44 -7.684 20.399 -7.021 314 HD11 ILE 44 1HD1 ILE 44 -10.829 19.791 -5.837 315 HD12 ILE 44 2HD1 ILE 44 -10.323 18.094 -5.722 316 HD13 ILE 44 3HD1 ILE 44 -9.542 19.168 -6.889 317 H GLY 45 H GLY 45 -7.865 19.668 -1.929 318 HA2 GLY 45 1HA GLY 45 -5.371 18.384 -2.451 319 HA3 GLY 45 2HA GLY 45 -5.140 19.596 -1.180 320 H TYR 46 H TYR 46 -4.624 17.870 0.272 321 HA TYR 46 HA TYR 46 -7.037 16.887 1.619 322 HB2 TYR 46 1HB TYR 46 -6.414 14.555 1.561 323 HB3 TYR 46 2HB TYR 46 -6.536 15.137 -0.095 324 HD1 TYR 46 HD1 TYR 46 -4.345 13.898 2.540 325 HD2 TYR 46 HD2 TYR 46 -4.476 15.453 -1.469 326 HE1 TYR 46 HE1 TYR 46 -2.016 13.041 2.088 327 HE2 TYR 46 HE2 TYR 46 -2.157 14.634 -1.886 328 HH TYR 46 HH TYR 46 -0.339 13.568 -1.027 329 H TYR 47 H TYR 47 -6.356 15.780 3.734 330 HA TYR 47 HA TYR 47 -3.700 16.878 4.607 331 HB2 TYR 47 1HB TYR 47 -6.136 16.186 6.217 332 HB3 TYR 47 2HB TYR 47 -4.560 16.427 6.924 333 HD1 TYR 47 HD1 TYR 47 -3.983 18.506 7.751 334 HD2 TYR 47 HD2 TYR 47 -6.976 18.285 4.660 335 HE1 TYR 47 HE1 TYR 47 -4.433 20.937 7.991 336 HE2 TYR 47 HE2 TYR 47 -7.402 20.703 4.917 337 HH TYR 47 HH TYR 47 -6.982 22.595 6.145 338 H ARG 48 H ARG 48 -2.262 15.559 5.518 339 HA ARG 48 HA ARG 48 -2.738 12.632 5.118 340 HB2 ARG 48 1HB ARG 48 -1.130 13.995 3.649 341 HB3 ARG 48 2HB ARG 48 -0.105 14.158 5.063 342 HG2 ARG 48 1HG ARG 48 0.314 11.799 5.134 343 HG3 ARG 48 2HG ARG 48 -0.973 11.487 3.951 344 HD2 ARG 48 1HD ARG 48 0.287 12.954 2.327 345 HD3 ARG 48 2HD ARG 48 1.642 12.937 3.471 346 HE ARG 48 HE ARG 48 0.915 10.257 3.008 347 HH11 ARG 48 1HH1 ARG 48 2.161 12.941 1.077 348 HH12 ARG 48 2HH1 ARG 48 2.988 11.884 -0.034 349 HH21 ARG 48 1HH2 ARG 48 2.006 8.968 1.554 350 HH22 ARG 48 2HH2 ARG 48 2.892 9.673 0.229 351 H ARG 49 H ARG 49 -2.797 11.471 6.935 352 HA ARG 49 HA ARG 49 -1.845 12.487 9.474 353 HB2 ARG 49 1HB ARG 49 -3.653 10.791 9.178 354 HB3 ARG 49 2HB ARG 49 -2.451 9.627 8.613 355 HG2 ARG 49 1HG ARG 49 -1.481 9.411 10.727 356 HG3 ARG 49 2HG ARG 49 -2.147 10.955 11.293 357 HD2 ARG 49 1HD ARG 49 -3.337 9.143 12.353 358 HD3 ARG 49 2HD ARG 49 -4.416 10.004 11.257 359 HE ARG 49 HE ARG 49 -3.375 7.818 9.824 360 HH11 ARG 49 1HH1 ARG 49 -5.398 8.319 12.664 361 HH12 ARG 49 2HH1 ARG 49 -6.311 6.868 12.393 362 HH21 ARG 49 1HH2 ARG 49 -4.552 5.917 9.569 363 HH22 ARG 49 2HH2 ARG 49 -5.834 5.542 10.691 364 H ALA 50 H ALA 50 0.125 12.271 10.438 365 HA ALA 50 HA ALA 50 2.125 10.417 9.293 366 HB1 ALA 50 1HB ALA 50 2.340 12.476 7.924 367 HB2 ALA 50 2HB ALA 50 3.769 12.243 8.962 368 HB3 ALA 50 3HB ALA 50 2.526 13.435 9.411 369 H THR 51 H THR 51 3.875 9.991 10.683 370 HA THR 51 HA THR 51 4.259 11.557 13.103 371 HB THR 51 HB THR 51 2.353 10.012 13.783 372 HG1 THR 51 HG1 THR 51 3.371 9.471 15.708 373 HG21 THR 51 1HG2 THR 51 2.784 7.649 14.116 374 HG22 THR 51 2HG2 THR 51 4.438 7.812 13.490 375 HG23 THR 51 3HG2 THR 51 3.044 8.038 12.404 376 H ARG 52 H ARG 52 6.185 10.627 14.297 377 HA ARG 52 HA ARG 52 7.824 8.698 12.765 378 HB2 ARG 52 1HB ARG 52 8.280 11.080 11.881 379 HB3 ARG 52 2HB ARG 52 8.859 11.474 13.496 380 HG2 ARG 52 1HG ARG 52 10.831 11.020 12.408 381 HG3 ARG 52 2HG ARG 52 10.487 9.428 13.110 382 HD2 ARG 52 1HD ARG 52 9.604 8.628 10.991 383 HD3 ARG 52 2HD ARG 52 9.654 10.263 10.304 384 HE ARG 52 HE ARG 52 12.275 9.511 11.146 385 HH11 ARG 52 1HH1 ARG 52 9.967 8.790 8.567 386 HH12 ARG 52 2HH1 ARG 52 11.224 8.374 7.434 387 HH21 ARG 52 1HH2 ARG 52 13.822 8.972 9.633 388 HH22 ARG 52 2HH2 ARG 52 13.357 8.476 8.028 389 H ARG 53 H ARG 53 8.637 7.358 14.379 390 HA ARG 53 HA ARG 53 8.432 8.345 17.158 391 HB2 ARG 53 1HB ARG 53 7.615 6.106 16.624 392 HB3 ARG 53 2HB ARG 53 9.220 5.650 16.058 393 HG2 ARG 53 1HG ARG 53 9.279 6.672 18.792 394 HG3 ARG 53 2HG ARG 53 8.193 5.285 18.628 395 HD2 ARG 53 1HD ARG 53 10.903 5.110 17.335 396 HD3 ARG 53 2HD ARG 53 10.809 4.981 19.098 397 HE ARG 53 HE ARG 53 8.852 3.255 18.001 398 HH11 ARG 53 1HH1 ARG 53 12.376 3.454 18.168 399 HH12 ARG 53 2HH1 ARG 53 12.567 1.722 18.093 400 HH21 ARG 53 1HH2 ARG 53 9.180 1.055 17.901 401 HH22 ARG 53 2HH2 ARG 53 10.792 0.396 17.931 402 H ILE 54 H ILE 54 9.996 9.071 18.278 403 HA ILE 54 HA ILE 54 12.776 8.471 17.493 404 HB ILE 54 HB ILE 54 13.408 10.682 17.548 405 HG12 ILE 54 1HG1 ILE 54 12.677 11.165 19.833 406 HG13 ILE 54 2HG1 ILE 54 12.422 12.498 18.738 407 HG21 ILE 54 1HG2 ILE 54 11.858 12.089 16.312 408 HG22 ILE 54 2HG2 ILE 54 10.468 11.078 16.776 409 HG23 ILE 54 3HG2 ILE 54 11.757 10.419 15.724 410 HD11 ILE 54 1HD1 ILE 54 10.649 12.277 20.361 411 HD12 ILE 54 2HD1 ILE 54 10.303 10.656 19.744 412 HD13 ILE 54 3HD1 ILE 54 10.045 12.082 18.701 413 H ARG 55 H ARG 55 14.187 8.988 19.441 414 HA ARG 55 HA ARG 55 12.806 8.729 22.056 415 HB2 ARG 55 1HB ARG 55 13.359 6.380 21.237 416 HB3 ARG 55 2HB ARG 55 15.062 6.835 21.291 417 HG2 ARG 55 1HG ARG 55 13.927 7.527 23.842 418 HG3 ARG 55 2HG ARG 55 13.350 5.904 23.431 419 HD2 ARG 55 1HD ARG 55 15.784 5.324 22.882 420 HD3 ARG 55 2HD ARG 55 16.232 6.852 23.651 421 HE ARG 55 HE ARG 55 15.019 4.467 24.978 422 HH11 ARG 55 1HH1 ARG 55 16.569 7.626 25.374 423 HH12 ARG 55 2HH1 ARG 55 16.893 7.347 27.068 424 HH21 ARG 55 1HH2 ARG 55 15.425 4.223 27.146 425 HH22 ARG 55 2HH2 ARG 55 16.229 5.481 28.044 426 H GLY 56 H GLY 56 13.564 10.531 23.046 427 HA2 GLY 56 1HA GLY 56 16.198 11.595 22.457 428 HA3 GLY 56 2HA GLY 56 15.111 12.098 23.780 429 H GLY 57 H GLY 57 17.915 11.760 24.149 430 HA2 GLY 57 1HA GLY 57 18.527 9.123 25.144 431 HA3 GLY 57 2HA GLY 57 19.466 10.604 25.438 432 H ASP 58 H ASP 58 17.267 12.087 26.458 433 HA ASP 58 HA ASP 58 17.387 11.394 29.251 434 HB2 ASP 58 1HB ASP 58 17.290 13.684 28.073 435 HB3 ASP 58 2HB ASP 58 15.560 13.386 27.875 436 H GLY 59 H GLY 59 15.647 9.971 26.871 437 HA2 GLY 59 1HA GLY 59 14.168 8.195 27.324 438 HA3 GLY 59 2HA GLY 59 13.671 8.982 28.823 439 H LYS 60 H LYS 60 13.528 11.485 26.751 440 HA LYS 60 HA LYS 60 10.647 11.233 26.594 441 HB2 LYS 60 1HB LYS 60 12.613 13.333 25.672 442 HB3 LYS 60 2HB LYS 60 10.890 13.413 25.257 443 HG2 LYS 60 1HG LYS 60 10.549 14.402 27.238 444 HG3 LYS 60 2HG LYS 60 10.852 12.811 27.950 445 HD2 LYS 60 1HD LYS 60 13.383 13.586 27.814 446 HD3 LYS 60 2HD LYS 60 12.638 15.204 27.837 447 HE2 LYS 60 1HE LYS 60 11.201 13.919 29.796 448 HE3 LYS 60 2HE LYS 60 12.768 13.092 29.940 449 HZ1 LYS 60 1HZ LYS 60 12.590 15.049 31.377 450 HZ2 LYS 60 2HZ LYS 60 12.401 16.037 30.069 451 HZ3 LYS 60 3HZ LYS 60 13.821 15.214 30.294 452 H MET 61 H MET 61 9.734 9.886 25.334 453 HA MET 61 HA MET 61 10.780 9.312 22.635 454 HB2 MET 61 1HB MET 61 8.440 8.230 24.251 455 HB3 MET 61 2HB MET 61 8.845 7.711 22.615 456 HG2 MET 61 1HG MET 61 11.241 7.336 23.740 457 HG3 MET 61 2HG MET 61 10.224 7.125 25.181 458 HE1 MET 61 1HE MET 61 11.441 5.533 21.778 459 HE2 MET 61 2HE MET 61 9.951 6.392 21.330 460 HE3 MET 61 3HE MET 61 10.003 4.608 21.296 461 H LYS 62 H LYS 62 8.789 9.018 21.005 462 HA LYS 62 HA LYS 62 7.870 11.731 20.595 463 HB2 LYS 62 1HB LYS 62 8.430 10.291 18.668 464 HB3 LYS 62 2HB LYS 62 7.168 9.150 19.122 465 HG2 LYS 62 1HG LYS 62 6.432 10.556 17.287 466 HG3 LYS 62 2HG LYS 62 5.468 10.855 18.728 467 HD2 LYS 62 1HD LYS 62 7.010 12.855 19.196 468 HD3 LYS 62 2HD LYS 62 7.677 12.591 17.574 469 HE2 LYS 62 1HE LYS 62 5.980 14.245 17.485 470 HE3 LYS 62 2HE LYS 62 5.382 12.774 16.691 471 HZ1 LYS 62 1HZ LYS 62 3.671 13.699 18.213 472 HZ2 LYS 62 2HZ LYS 62 4.707 13.614 19.494 473 HZ3 LYS 62 3HZ LYS 62 4.163 12.233 18.788 474 H ASP 63 H ASP 63 6.165 8.669 20.961 475 HA ASP 63 HA ASP 63 4.056 8.132 21.533 476 HB2 ASP 63 1HB ASP 63 5.407 9.037 23.640 477 HB3 ASP 63 2HB ASP 63 4.054 10.173 23.699 478 H LEU 64 H LEU 64 2.046 9.498 22.864 479 HA LEU 64 HA LEU 64 0.106 10.500 22.473 480 HB2 LEU 64 1HB LEU 64 2.008 12.583 21.470 481 HB3 LEU 64 2HB LEU 64 0.318 12.908 21.848 482 HG LEU 64 HG LEU 64 2.378 11.886 23.836 483 HD11 LEU 64 1HD1 LEU 64 2.350 14.161 24.732 484 HD12 LEU 64 2HD1 LEU 64 1.259 14.674 23.420 485 HD13 LEU 64 3HD1 LEU 64 2.915 14.129 23.053 486 HD21 LEU 64 1HD2 LEU 64 0.687 12.586 25.536 487 HD22 LEU 64 2HD2 LEU 64 0.125 11.249 24.519 488 HD23 LEU 64 3HD2 LEU 64 -0.471 12.902 24.223 489 H SER 65 H SER 65 -1.130 12.092 20.837 490 HA SER 65 HA SER 65 -1.894 10.352 18.738 491 HB2 SER 65 1HB SER 65 -2.469 13.301 19.131 492 HB3 SER 65 2HB SER 65 -3.412 12.189 18.121 493 HG SER 65 HG SER 65 -4.026 11.078 19.960 494 HA PRO 66 HA PRO 66 0.756 11.571 15.470 495 HB2 PRO 66 1HB PRO 66 -0.728 11.097 13.241 496 HB3 PRO 66 2HB PRO 66 -0.206 9.769 14.327 497 HG2 PRO 66 1HG PRO 66 -2.823 11.246 14.278 498 HG3 PRO 66 2HG PRO 66 -2.522 9.479 14.232 499 HD2 PRO 66 1HD PRO 66 -3.125 10.744 16.523 500 HD3 PRO 66 2HD PRO 66 -1.941 9.391 16.483 501 H ARG 67 H ARG 67 0.847 12.881 13.382 502 HA ARG 67 HA ARG 67 -0.457 15.531 13.874 503 HB2 ARG 67 1HB ARG 67 2.026 14.691 12.329 504 HB3 ARG 67 2HB ARG 67 1.458 16.342 12.497 505 HG2 ARG 67 1HG ARG 67 2.047 14.800 15.005 506 HG3 ARG 67 2HG ARG 67 3.404 15.338 14.003 507 HD2 ARG 67 1HD ARG 67 1.735 17.558 14.130 508 HD3 ARG 67 2HD ARG 67 1.680 16.873 15.767 509 HE ARG 67 HE ARG 67 4.376 16.943 14.784 510 HH11 ARG 67 1HH1 ARG 67 1.935 19.133 16.127 511 HH12 ARG 67 2HH1 ARG 67 3.165 20.285 16.642 512 HH21 ARG 67 1HH2 ARG 67 5.831 18.435 15.517 513 HH22 ARG 67 2HH2 ARG 67 5.295 19.896 16.308 514 H TRP 68 H TRP 68 -1.094 16.716 11.927 515 HA TRP 68 HA TRP 68 -1.572 14.982 9.527 516 HB2 TRP 68 1HB TRP 68 -3.433 16.944 10.894 517 HB3 TRP 68 2HB TRP 68 -3.665 16.402 9.228 518 HD1 TRP 68 HD1 TRP 68 -3.685 15.003 12.830 519 HE1 TRP 68 HE1 TRP 68 -5.092 12.885 12.921 520 HE3 TRP 68 HE3 TRP 68 -4.546 14.507 7.816 521 HZ2 TRP 68 HZ2 TRP 68 -6.393 11.171 11.058 522 HZ3 TRP 68 HZ3 TRP 68 -5.936 12.594 7.017 523 HH2 TRP 68 HH2 TRP 68 -6.860 10.944 8.648 524 H TYR 69 H TYR 69 -0.659 15.841 7.742 525 HA TYR 69 HA TYR 69 0.125 18.752 7.832 526 HB2 TYR 69 1HB TYR 69 1.287 16.369 6.330 527 HB3 TYR 69 2HB TYR 69 1.798 18.040 6.095 528 HD1 TYR 69 HD1 TYR 69 3.574 18.924 7.390 529 HD2 TYR 69 HD2 TYR 69 1.530 15.417 8.810 530 HE1 TYR 69 HE1 TYR 69 5.288 18.648 9.176 531 HE2 TYR 69 HE2 TYR 69 3.231 15.186 10.631 532 HH TYR 69 HH TYR 69 5.166 15.949 11.511 533 H PHE 70 H PHE 70 -0.169 19.891 5.689 534 HA PHE 70 HA PHE 70 -2.507 18.744 4.245 535 HB2 PHE 70 1HB PHE 70 -2.908 20.968 5.141 536 HB3 PHE 70 2HB PHE 70 -1.436 21.577 4.372 537 HD1 PHE 70 HD1 PHE 70 -4.736 19.977 3.543 538 HD2 PHE 70 HD2 PHE 70 -1.522 22.493 2.197 539 HE1 PHE 70 HE1 PHE 70 -6.011 20.496 1.466 540 HE2 PHE 70 HE2 PHE 70 -2.799 23.039 0.134 541 HZ PHE 70 HZ PHE 70 -5.050 22.037 -0.241 542 H TYR 71 H TYR 71 -2.420 18.263 2.150 543 HA TYR 71 HA TYR 71 0.085 18.898 0.658 544 HB2 TYR 71 1HB TYR 71 -1.037 16.311 1.561 545 HB3 TYR 71 2HB TYR 71 -0.479 16.363 -0.130 546 HD1 TYR 71 HD1 TYR 71 0.498 16.210 3.379 547 HD2 TYR 71 HD2 TYR 71 1.945 17.008 -0.593 548 HE1 TYR 71 HE1 TYR 71 2.845 15.885 4.159 549 HE2 TYR 71 HE2 TYR 71 4.285 16.686 0.195 550 HH TYR 71 HH TYR 71 5.637 16.034 1.919 551 H TYR 72 H TYR 72 -0.226 19.002 -1.571 552 HA TYR 72 HA TYR 72 -2.950 19.725 -2.325 553 HB2 TYR 72 1HB TYR 72 -0.296 19.812 -3.794 554 HB3 TYR 72 2HB TYR 72 -1.830 20.382 -4.458 555 HD1 TYR 72 HD1 TYR 72 0.659 20.985 -1.719 556 HD2 TYR 72 HD2 TYR 72 -2.762 22.511 -3.846 557 HE1 TYR 72 HE1 TYR 72 0.924 23.192 -0.588 558 HE2 TYR 72 HE2 TYR 72 -2.455 24.719 -2.738 559 HH TYR 72 HH TYR 72 -1.028 26.009 -1.437 560 H LEU 73 H LEU 73 -3.952 18.967 -4.334 561 HA LEU 73 HA LEU 73 -4.302 16.186 -4.373 562 HB2 LEU 73 1HB LEU 73 -5.508 18.323 -5.535 563 HB3 LEU 73 2HB LEU 73 -4.659 17.685 -6.929 564 HG LEU 73 HG LEU 73 -6.829 16.334 -5.300 565 HD11 LEU 73 1HD1 LEU 73 -8.099 16.471 -7.342 566 HD12 LEU 73 2HD1 LEU 73 -6.681 17.021 -8.253 567 HD13 LEU 73 3HD1 LEU 73 -7.412 18.073 -7.029 568 HD21 LEU 73 1HD2 LEU 73 -6.694 14.482 -6.992 569 HD22 LEU 73 2HD2 LEU 73 -5.330 14.539 -5.873 570 HD23 LEU 73 3HD2 LEU 73 -5.139 15.151 -7.533 571 H GLY 74 H GLY 74 -3.218 14.502 -5.236 572 HA2 GLY 74 1HA GLY 74 -1.876 13.313 -6.664 573 HA3 GLY 74 2HA GLY 74 -1.764 14.734 -7.700 574 H THR 75 H THR 75 -0.665 14.934 -4.320 575 HA THR 75 HA THR 75 2.062 15.360 -5.390 576 HB THR 75 HB THR 75 2.542 15.782 -2.873 577 HG1 THR 75 HG1 THR 75 -0.269 16.165 -2.748 578 HG21 THR 75 1HG2 THR 75 1.460 18.031 -2.945 579 HG22 THR 75 2HG2 THR 75 0.585 17.530 -4.411 580 HG23 THR 75 3HG2 THR 75 2.363 17.632 -4.421 581 H GLY 76 H GLY 76 3.845 14.173 -4.814 582 HA2 GLY 76 1HA GLY 76 4.926 12.338 -3.671 583 HA3 GLY 76 2HA GLY 76 3.353 11.510 -3.541 584 HA PRO 77 HA PRO 77 5.551 11.209 -7.832 585 HB2 PRO 77 1HB PRO 77 7.239 9.040 -7.710 586 HB3 PRO 77 2HB PRO 77 7.735 10.708 -7.316 587 HG2 PRO 77 1HG PRO 77 6.877 8.534 -5.427 588 HG3 PRO 77 2HG PRO 77 8.340 9.572 -5.365 589 HD2 PRO 77 1HD PRO 77 6.160 10.172 -3.912 590 HD3 PRO 77 2HD PRO 77 7.107 11.469 -4.723 591 H GLU 78 H GLU 78 4.878 8.330 -5.852 592 HA GLU 78 HA GLU 78 3.391 7.148 -8.169 593 HB2 GLU 78 1HB GLU 78 4.769 5.796 -5.819 594 HB3 GLU 78 2HB GLU 78 3.834 4.963 -7.069 595 HG2 GLU 78 1HG GLU 78 5.424 5.674 -8.781 596 HG3 GLU 78 2HG GLU 78 6.346 6.589 -7.573 597 H ALA 79 H ALA 79 2.289 9.141 -6.511 598 HA ALA 79 HA ALA 79 0.867 8.009 -4.291 599 HB1 ALA 79 1HB ALA 79 1.286 10.417 -4.541 600 HB2 ALA 79 2HB ALA 79 -0.458 10.094 -4.390 601 HB3 ALA 79 3HB ALA 79 0.251 10.471 -5.982 602 H GLY 80 H GLY 80 -0.092 8.678 -7.680 603 HA2 GLY 80 1HA GLY 80 -1.811 7.845 -8.955 604 HA3 GLY 80 2HA GLY 80 -1.717 6.400 -7.941 605 H LEU 81 H LEU 81 -2.548 9.485 -6.467 606 HA LEU 81 HA LEU 81 -5.180 8.327 -5.841 607 HB2 LEU 81 1HB LEU 81 -3.400 10.411 -4.587 608 HB3 LEU 81 2HB LEU 81 -5.083 10.257 -4.159 609 HG LEU 81 HG LEU 81 -3.060 8.061 -3.805 610 HD11 LEU 81 1HD1 LEU 81 -4.242 9.954 -1.742 611 HD12 LEU 81 2HD1 LEU 81 -2.602 10.080 -2.423 612 HD13 LEU 81 3HD1 LEU 81 -3.049 8.669 -1.457 613 HD21 LEU 81 1HD2 LEU 81 -5.416 7.278 -4.043 614 HD22 LEU 81 2HD2 LEU 81 -5.871 8.339 -2.685 615 HD23 LEU 81 3HD2 LEU 81 -4.755 6.987 -2.423 616 HA PRO 82 HA PRO 82 -7.001 11.753 -8.166 617 HB2 PRO 82 1HB PRO 82 -9.426 10.573 -8.530 618 HB3 PRO 82 2HB PRO 82 -8.009 10.110 -9.530 619 HG2 PRO 82 1HG PRO 82 -9.159 8.749 -7.114 620 HG3 PRO 82 2HG PRO 82 -8.619 8.039 -8.655 621 HD2 PRO 82 1HD PRO 82 -7.111 8.040 -6.423 622 HD3 PRO 82 2HD PRO 82 -6.430 8.050 -8.069 623 H TYR 83 H TYR 83 -8.971 13.074 -7.482 624 HA TYR 83 HA TYR 83 -8.977 13.430 -4.653 625 HB2 TYR 83 1HB TYR 83 -9.528 15.163 -6.360 626 HB3 TYR 83 2HB TYR 83 -11.051 14.328 -6.677 627 HD1 TYR 83 HD1 TYR 83 -9.119 16.287 -4.184 628 HD2 TYR 83 HD2 TYR 83 -12.924 14.509 -5.112 629 HE1 TYR 83 HE1 TYR 83 -10.169 17.563 -2.333 630 HE2 TYR 83 HE2 TYR 83 -13.967 15.779 -3.235 631 HH TYR 83 HH TYR 83 -13.637 17.246 -1.524 632 H GLY 84 H GLY 84 -10.206 12.587 -3.057 633 HA2 GLY 84 1HA GLY 84 -12.124 11.635 -2.109 634 HA3 GLY 84 2HA GLY 84 -12.742 11.247 -3.716 635 H ALA 85 H ALA 85 -9.651 10.115 -3.864 636 HA ALA 85 HA ALA 85 -10.471 7.395 -3.681 637 HB1 ALA 85 1HB ALA 85 -8.662 7.937 -5.076 638 HB2 ALA 85 2HB ALA 85 -7.980 6.955 -3.768 639 HB3 ALA 85 3HB ALA 85 -7.763 8.724 -3.767 640 H ASN 86 H ASN 86 -10.508 5.924 -2.115 641 HA ASN 86 HA ASN 86 -10.221 6.792 0.629 642 HB2 ASN 86 1HB ASN 86 -11.930 5.149 -0.133 643 HB3 ASN 86 2HB ASN 86 -10.632 4.011 -0.534 644 HD21 ASN 86 1HD2 ASN 86 -11.084 2.637 2.629 645 HD22 ASN 86 2HD2 ASN 86 -11.179 2.422 0.898 646 H LYS 87 H LYS 87 -8.493 6.737 1.900 647 HA LYS 87 HA LYS 87 -6.561 4.545 1.721 648 HB2 LYS 87 1HB LYS 87 -5.702 6.181 0.056 649 HB3 LYS 87 2HB LYS 87 -5.698 7.423 1.286 650 HG2 LYS 87 1HG LYS 87 -3.881 6.489 2.454 651 HG3 LYS 87 2HG LYS 87 -4.130 4.877 1.750 652 HD2 LYS 87 1HD LYS 87 -3.298 7.263 0.106 653 HD3 LYS 87 2HD LYS 87 -2.118 6.221 0.914 654 HE2 LYS 87 1HE LYS 87 -4.249 5.064 -0.911 655 HE3 LYS 87 2HE LYS 87 -2.737 5.715 -1.574 656 HZ1 LYS 87 1HZ LYS 87 -1.529 4.119 -0.218 657 HZ2 LYS 87 2HZ LYS 87 -2.599 3.341 -1.203 658 HZ3 LYS 87 3HZ LYS 87 -2.935 3.518 0.402 659 H ASP 88 H ASP 88 -5.365 4.405 3.669 660 HA ASP 88 HA ASP 88 -6.757 5.334 5.988 661 HB2 ASP 88 1HB ASP 88 -5.365 3.293 5.974 662 HB3 ASP 88 2HB ASP 88 -3.917 4.280 5.714 663 H GLY 89 H GLY 89 -6.569 7.126 7.203 664 HA2 GLY 89 1HA GLY 89 -5.716 9.081 8.041 665 HA3 GLY 89 2HA GLY 89 -4.123 8.557 7.485 666 H ILE 90 H ILE 90 -6.801 8.963 5.216 667 HA ILE 90 HA ILE 90 -5.558 11.521 4.293 668 HB ILE 90 HB ILE 90 -6.610 9.238 2.535 669 HG12 ILE 90 1HG1 ILE 90 -4.378 8.779 3.460 670 HG13 ILE 90 2HG1 ILE 90 -4.348 9.001 1.720 671 HG21 ILE 90 1HG2 ILE 90 -5.735 10.721 0.631 672 HG22 ILE 90 2HG2 ILE 90 -5.621 12.043 1.817 673 HG23 ILE 90 3HG2 ILE 90 -7.195 11.310 1.445 674 HD11 ILE 90 1HD1 ILE 90 -3.262 11.059 1.859 675 HD12 ILE 90 2HD1 ILE 90 -2.451 10.003 3.031 676 HD13 ILE 90 3HD1 ILE 90 -3.605 11.235 3.596 677 H ILE 91 H ILE 91 -6.911 13.140 4.213 678 HA ILE 91 HA ILE 91 -9.803 12.540 3.710 679 HB ILE 91 HB ILE 91 -10.363 14.549 5.137 680 HG12 ILE 91 1HG1 ILE 91 -7.969 14.264 6.818 681 HG13 ILE 91 2HG1 ILE 91 -7.590 14.884 5.233 682 HG21 ILE 91 1HG2 ILE 91 -10.393 13.314 7.221 683 HG22 ILE 91 2HG2 ILE 91 -9.096 12.230 6.659 684 HG23 ILE 91 3HG2 ILE 91 -10.696 12.182 5.887 685 HD11 ILE 91 1HD1 ILE 91 -8.092 16.688 6.853 686 HD12 ILE 91 2HD1 ILE 91 -9.748 16.066 7.004 687 HD13 ILE 91 3HD1 ILE 91 -9.160 16.697 5.441 688 H TRP 92 H TRP 92 -10.384 13.346 1.842 689 HA TRP 92 HA TRP 92 -8.793 15.394 0.541 690 HB2 TRP 92 1HB TRP 92 -11.350 13.959 -0.220 691 HB3 TRP 92 2HB TRP 92 -10.455 15.055 -1.274 692 HD1 TRP 92 HD1 TRP 92 -10.361 11.529 0.092 693 HE1 TRP 92 HE1 TRP 92 -8.482 10.188 -0.955 694 HE3 TRP 92 HE3 TRP 92 -8.026 15.400 -2.301 695 HZ2 TRP 92 HZ2 TRP 92 -6.209 10.735 -2.573 696 HZ3 TRP 92 HZ3 TRP 92 -5.960 14.913 -3.614 697 HH2 TRP 92 HH2 TRP 92 -5.068 12.588 -3.754 698 H VAL 93 H VAL 93 -9.186 17.498 0.230 699 HA VAL 93 HA VAL 93 -11.826 18.609 1.044 700 HB VAL 93 HB VAL 93 -10.626 20.541 2.151 701 HG11 VAL 93 1HG1 VAL 93 -10.208 19.398 4.272 702 HG12 VAL 93 2HG1 VAL 93 -10.130 17.829 3.439 703 HG13 VAL 93 3HG1 VAL 93 -11.657 18.745 3.482 704 HG21 VAL 93 1HG2 VAL 93 -8.315 20.307 2.883 705 HG22 VAL 93 2HG2 VAL 93 -8.368 20.138 1.118 706 HG23 VAL 93 3HG2 VAL 93 -8.194 18.698 2.144 707 H ALA 94 H ALA 94 -12.352 20.572 0.016 708 HA ALA 94 HA ALA 94 -10.556 21.744 -1.971 709 HB1 ALA 94 1HB ALA 94 -11.509 19.732 -3.187 710 HB2 ALA 94 2HB ALA 94 -12.020 21.279 -3.893 711 HB3 ALA 94 3HB ALA 94 -13.140 20.356 -2.860 712 H THR 95 H THR 95 -11.831 23.631 -2.959 713 HA THR 95 HA THR 95 -14.181 24.397 -1.335 714 HB THR 95 HB THR 95 -12.063 25.412 -0.306 715 HG1 THR 95 HG1 THR 95 -14.050 26.351 0.080 716 HG21 THR 95 1HG2 THR 95 -11.033 27.295 -1.419 717 HG22 THR 95 2HG2 THR 95 -12.141 27.161 -2.801 718 HG23 THR 95 3HG2 THR 95 -10.927 25.895 -2.505 719 H GLU 96 H GLU 96 -14.964 26.626 -2.464 720 HA GLU 96 HA GLU 96 -15.648 25.801 -5.120 721 HB2 GLU 96 1HB GLU 96 -17.007 27.179 -3.489 722 HB3 GLU 96 2HB GLU 96 -15.978 28.557 -3.891 723 HG2 GLU 96 1HG GLU 96 -16.886 28.784 -5.998 724 HG3 GLU 96 2HG GLU 96 -17.259 27.056 -6.138 725 H GLY 97 H GLY 97 -14.825 26.336 -7.058 726 HA2 GLY 97 1HA GLY 97 -13.695 27.722 -8.604 727 HA3 GLY 97 2HA GLY 97 -12.876 28.546 -7.273 728 H ALA 98 H ALA 98 -12.527 25.454 -6.382 729 HA ALA 98 HA ALA 98 -9.816 25.345 -7.445 730 HB1 ALA 98 1HB ALA 98 -10.462 24.754 -5.100 731 HB2 ALA 98 2HB ALA 98 -9.532 23.504 -5.952 732 HB3 ALA 98 3HB ALA 98 -11.293 23.317 -5.749 733 H LEU 99 H LEU 99 -8.960 23.937 -8.945 734 HA LEU 99 HA LEU 99 -10.933 22.559 -10.670 735 HB2 LEU 99 1HB LEU 99 -7.945 23.019 -10.893 736 HB3 LEU 99 2HB LEU 99 -8.879 22.081 -12.043 737 HG LEU 99 HG LEU 99 -9.130 25.053 -11.543 738 HD11 LEU 99 1HD1 LEU 99 -8.216 25.142 -13.839 739 HD12 LEU 99 2HD1 LEU 99 -8.128 23.359 -13.870 740 HD13 LEU 99 3HD1 LEU 99 -7.115 24.294 -12.740 741 HD21 LEU 99 1HD2 LEU 99 -10.642 25.033 -13.522 742 HD22 LEU 99 2HD2 LEU 99 -11.343 24.197 -12.128 743 HD23 LEU 99 3HD2 LEU 99 -10.655 23.254 -13.476 744 H ASN 100 H ASN 100 -11.080 20.403 -10.962 745 HA ASN 100 HA ASN 100 -9.783 18.714 -8.936 746 HB2 ASN 100 1HB ASN 100 -12.193 18.455 -9.567 747 HB3 ASN 100 2HB ASN 100 -11.678 17.923 -11.175 748 HD21 ASN 100 1HD2 ASN 100 -11.927 14.685 -9.869 749 HD22 ASN 100 2HD2 ASN 100 -12.599 15.887 -10.941 750 H THR 101 H THR 101 -7.619 19.347 -9.937 751 HA THR 101 HA THR 101 -6.868 17.184 -11.831 752 HB THR 101 HB THR 101 -7.290 19.552 -12.972 753 HG1 THR 101 HG1 THR 101 -5.635 19.045 -14.440 754 HG21 THR 101 1HG2 THR 101 -5.371 21.005 -13.043 755 HG22 THR 101 2HG2 THR 101 -4.423 19.886 -12.031 756 HG23 THR 101 3HG2 THR 101 -5.809 20.775 -11.335 757 HA PRO 102 HA PRO 102 -3.516 16.905 -8.933 758 HB2 PRO 102 1HB PRO 102 -1.435 16.102 -10.525 759 HB3 PRO 102 2HB PRO 102 -2.752 14.990 -10.013 760 HG2 PRO 102 1HG PRO 102 -2.426 16.538 -12.575 761 HG3 PRO 102 2HG PRO 102 -2.822 14.802 -12.345 762 HD2 PRO 102 1HD PRO 102 -4.739 16.596 -12.837 763 HD3 PRO 102 2HD PRO 102 -5.005 15.284 -11.640 764 H LYS 103 H LYS 103 -1.656 18.013 -8.197 765 HA LYS 103 HA LYS 103 -0.369 19.969 -9.983 766 HB2 LYS 103 1HB LYS 103 -0.901 21.857 -8.375 767 HB3 LYS 103 2HB LYS 103 -2.200 21.289 -9.413 768 HG2 LYS 103 1HG LYS 103 -3.000 19.862 -7.425 769 HG3 LYS 103 2HG LYS 103 -1.848 20.779 -6.461 770 HD2 LYS 103 1HD LYS 103 -3.927 21.829 -6.172 771 HD3 LYS 103 2HD LYS 103 -3.015 22.872 -7.265 772 HE2 LYS 103 1HE LYS 103 -4.849 20.778 -8.436 773 HE3 LYS 103 2HE LYS 103 -5.556 22.222 -7.720 774 HZ1 LYS 103 1HZ LYS 103 -3.810 22.095 -10.066 775 HZ2 LYS 103 2HZ LYS 103 -4.049 23.509 -9.244 776 HZ3 LYS 103 3HZ LYS 103 -5.329 22.727 -9.936 777 H ASP 104 H ASP 104 0.913 17.934 -9.178 778 HA ASP 104 HA ASP 104 2.090 17.885 -6.604 779 HB2 ASP 104 1HB ASP 104 3.760 16.470 -7.599 780 HB3 ASP 104 2HB ASP 104 2.210 16.086 -8.364 781 H HIS 105 H HIS 105 2.711 19.868 -9.413 782 HA HIS 105 HA HIS 105 5.348 20.708 -8.877 783 HB2 HIS 105 1HB HIS 105 4.989 22.403 -10.460 784 HB3 HIS 105 2HB HIS 105 3.913 21.094 -10.964 785 HD1 HIS 105 HD1 HIS 105 3.937 24.618 -9.563 786 HD2 HIS 105 HD2 HIS 105 1.133 21.730 -10.742 787 HE1 HIS 105 HE1 HIS 105 1.670 25.791 -9.704 788 H ILE 106 H ILE 106 2.561 21.400 -7.007 789 HA ILE 106 HA ILE 106 3.722 23.921 -5.954 790 HB ILE 106 HB ILE 106 1.205 22.429 -5.057 791 HG12 ILE 106 1HG1 ILE 106 1.486 24.787 -6.962 792 HG13 ILE 106 2HG1 ILE 106 1.119 23.130 -7.446 793 HG21 ILE 106 1HG2 ILE 106 0.620 24.627 -4.013 794 HG22 ILE 106 2HG2 ILE 106 2.159 25.313 -4.572 795 HG23 ILE 106 3HG2 ILE 106 2.139 24.010 -3.362 796 HD11 ILE 106 1HD1 ILE 106 -0.912 24.260 -7.445 797 HD12 ILE 106 2HD1 ILE 106 -0.609 25.009 -5.866 798 HD13 ILE 106 3HD1 ILE 106 -0.923 23.256 -5.980 799 H GLY 107 H GLY 107 2.993 20.550 -5.019 800 HA2 GLY 107 1HA GLY 107 4.015 20.891 -2.329 801 HA3 GLY 107 2HA GLY 107 3.530 19.378 -3.098 802 H THR 108 H THR 108 5.812 21.080 -4.972 803 HA THR 108 HA THR 108 7.892 19.120 -4.322 804 HB THR 108 HB THR 108 7.278 19.851 -6.680 805 HG1 THR 108 HG1 THR 108 9.489 19.896 -7.314 806 HG21 THR 108 1HG2 THR 108 7.187 22.345 -6.102 807 HG22 THR 108 2HG2 THR 108 8.077 21.912 -7.573 808 HG23 THR 108 3HG2 THR 108 8.965 22.307 -6.087 809 H ARG 109 H ARG 109 6.978 21.400 -2.474 810 HA ARG 109 HA ARG 109 9.033 23.332 -2.192 811 HB2 ARG 109 1HB ARG 109 6.755 23.273 -1.070 812 HB3 ARG 109 2HB ARG 109 7.399 22.039 0.016 813 HG2 ARG 109 1HG ARG 109 9.166 23.696 0.720 814 HG3 ARG 109 2HG ARG 109 8.308 24.912 -0.251 815 HD2 ARG 109 1HD ARG 109 7.454 25.201 1.928 816 HD3 ARG 109 2HD ARG 109 6.235 24.281 1.068 817 HE ARG 109 HE ARG 109 6.557 22.476 2.457 818 HH11 ARG 109 1HH1 ARG 109 9.262 24.690 2.987 819 HH12 ARG 109 2HH1 ARG 109 9.844 23.781 4.358 820 HH21 ARG 109 1HH2 ARG 109 7.293 21.449 4.234 821 HH22 ARG 109 2HH2 ARG 109 8.745 21.979 5.054 822 H ASN 110 H ASN 110 11.056 23.246 -1.370 823 HA ASN 110 HA ASN 110 12.005 20.622 -0.336 824 HB2 ASN 110 1HB ASN 110 13.258 22.948 -1.753 825 HB3 ASN 110 2HB ASN 110 14.253 22.097 -0.569 826 HD21 ASN 110 1HD2 ASN 110 15.012 20.395 -3.660 827 HD22 ASN 110 2HD2 ASN 110 15.353 21.898 -2.840 828 HA PRO 111 HA PRO 111 11.699 22.789 3.540 829 HB2 PRO 111 1HB PRO 111 12.650 20.885 5.244 830 HB3 PRO 111 2HB PRO 111 11.045 20.749 4.455 831 HG2 PRO 111 1HG PRO 111 13.665 19.526 3.615 832 HG3 PRO 111 2HG PRO 111 12.071 18.733 3.839 833 HD2 PRO 111 1HD PRO 111 12.940 19.509 1.400 834 HD3 PRO 111 2HD PRO 111 11.210 19.654 1.860 835 H ALA 112 H ALA 112 14.636 21.602 2.130 836 HA ALA 112 HA ALA 112 16.432 22.734 4.110 837 HB1 ALA 112 1HB ALA 112 16.903 21.922 1.206 838 HB2 ALA 112 2HB ALA 112 17.083 20.853 2.623 839 HB3 ALA 112 3HB ALA 112 18.160 22.256 2.418 840 H ASN 113 H ASN 113 14.635 23.930 1.377 841 HA ASN 113 HA ASN 113 16.388 26.324 1.156 842 HB2 ASN 113 1HB ASN 113 14.139 25.292 -0.614 843 HB3 ASN 113 2HB ASN 113 15.063 26.771 -0.908 844 HD21 ASN 113 1HD2 ASN 113 16.444 23.807 -2.794 845 HD22 ASN 113 2HD2 ASN 113 14.806 24.372 -2.553 846 H ASN 114 H ASN 114 13.150 25.380 2.231 847 HA ASN 114 HA ASN 114 12.615 28.185 2.919 848 HB2 ASN 114 1HB ASN 114 11.348 28.126 0.988 849 HB3 ASN 114 2HB ASN 114 11.213 26.363 1.034 850 HD21 ASN 114 1HD2 ASN 114 8.520 28.613 2.950 851 HD22 ASN 114 2HD2 ASN 114 10.009 29.255 2.280 852 H ALA 115 H ALA 115 11.113 28.425 4.581 853 HA ALA 115 HA ALA 115 10.751 26.055 6.336 854 HB1 ALA 115 1HB ALA 115 11.864 28.039 7.326 855 HB2 ALA 115 2HB ALA 115 10.297 27.722 8.105 856 HB3 ALA 115 3HB ALA 115 10.443 29.036 6.918 857 H ALA 116 H ALA 116 8.730 25.419 7.006 858 HA ALA 116 HA ALA 116 6.527 25.924 5.249 859 HB1 ALA 116 1HB ALA 116 6.576 24.501 7.947 860 HB2 ALA 116 2HB ALA 116 6.910 23.742 6.370 861 HB3 ALA 116 3HB ALA 116 5.295 24.389 6.718 862 H ILE 117 H ILE 117 4.511 26.802 5.668 863 HA ILE 117 HA ILE 117 4.557 29.214 7.357 864 HB ILE 117 HB ILE 117 2.417 28.051 5.517 865 HG12 ILE 117 1HG1 ILE 117 3.953 30.451 4.675 866 HG13 ILE 117 2HG1 ILE 117 4.854 28.939 4.667 867 HG21 ILE 117 1HG2 ILE 117 1.513 30.395 5.457 868 HG22 ILE 117 2HG2 ILE 117 2.697 30.857 6.703 869 HG23 ILE 117 3HG2 ILE 117 1.420 29.671 7.070 870 HD11 ILE 117 1HD1 ILE 117 3.856 29.331 2.481 871 HD12 ILE 117 2HD1 ILE 117 2.235 29.433 3.210 872 HD13 ILE 117 3HD1 ILE 117 3.133 27.892 3.237 873 H VAL 118 H VAL 118 3.313 29.450 9.310 874 HA VAL 118 HA VAL 118 2.300 27.119 10.643 875 HB VAL 118 HB VAL 118 1.633 30.077 11.093 876 HG11 VAL 118 1HG1 VAL 118 0.930 29.355 13.370 877 HG12 VAL 118 2HG1 VAL 118 1.158 27.659 12.898 878 HG13 VAL 118 3HG1 VAL 118 -0.094 28.646 12.105 879 HG21 VAL 118 1HG2 VAL 118 3.656 28.230 12.441 880 HG22 VAL 118 2HG2 VAL 118 3.271 29.883 12.970 881 HG23 VAL 118 3HG2 VAL 118 4.029 29.615 11.389 882 H LEU 119 H LEU 119 0.461 26.018 10.278 883 HA LEU 119 HA LEU 119 -1.206 26.729 8.067 884 HB2 LEU 119 1HB LEU 119 -0.648 24.437 8.980 885 HB3 LEU 119 2HB LEU 119 -1.827 24.715 10.249 886 HG LEU 119 HG LEU 119 -2.676 24.975 7.358 887 HD11 LEU 119 1HD1 LEU 119 -3.108 22.570 7.253 888 HD12 LEU 119 2HD1 LEU 119 -2.357 22.346 8.851 889 HD13 LEU 119 3HD1 LEU 119 -1.378 22.887 7.478 890 HD21 LEU 119 1HD2 LEU 119 -4.782 23.929 8.333 891 HD22 LEU 119 2HD2 LEU 119 -4.378 25.519 8.999 892 HD23 LEU 119 3HD2 LEU 119 -4.027 24.056 9.933 893 H GLN 120 H GLN 120 -3.023 27.836 7.898 894 HA GLN 120 HA GLN 120 -4.557 28.604 10.350 895 HB2 GLN 120 1HB GLN 120 -3.743 30.345 8.001 896 HB3 GLN 120 2HB GLN 120 -4.916 30.819 9.235 897 HG2 GLN 120 1HG GLN 120 -3.302 31.108 10.858 898 HG3 GLN 120 2HG GLN 120 -2.173 30.002 10.077 899 HE21 GLN 120 1HE2 GLN 120 -0.671 32.415 8.042 900 HE22 GLN 120 2HE2 GLN 120 -0.841 30.712 8.423 901 H LEU 121 H LEU 121 -6.814 29.029 9.833 902 HA LEU 121 HA LEU 121 -7.664 27.727 7.276 903 HB2 LEU 121 1HB LEU 121 -8.819 27.762 10.056 904 HB3 LEU 121 2HB LEU 121 -9.906 27.644 8.684 905 HG LEU 121 HG LEU 121 -7.702 25.656 9.300 906 HD11 LEU 121 1HD1 LEU 121 -9.654 24.207 9.923 907 HD12 LEU 121 2HD1 LEU 121 -10.712 25.621 9.740 908 HD13 LEU 121 3HD1 LEU 121 -9.449 25.614 10.987 909 HD21 LEU 121 1HD2 LEU 121 -8.221 25.652 6.903 910 HD22 LEU 121 2HD2 LEU 121 -9.963 25.626 7.238 911 HD23 LEU 121 3HD2 LEU 121 -8.948 24.222 7.647 912 HA PRO 122 HA PRO 122 -9.339 31.651 6.270 913 HB2 PRO 122 1HB PRO 122 -11.222 31.021 4.417 914 HB3 PRO 122 2HB PRO 122 -9.463 30.775 4.102 915 HG2 PRO 122 1HG PRO 122 -11.521 28.799 5.055 916 HG3 PRO 122 2HG PRO 122 -10.377 28.659 3.681 917 HD2 PRO 122 1HD PRO 122 -9.843 27.582 6.089 918 HD3 PRO 122 2HD PRO 122 -8.548 28.323 5.087 919 H GLN 123 H GLN 123 -11.380 32.910 6.139 920 HA GLN 123 HA GLN 123 -12.916 32.720 8.481 921 HB2 GLN 123 1HB GLN 123 -12.675 34.749 7.062 922 HB3 GLN 123 2HB GLN 123 -13.639 33.977 5.800 923 HG2 GLN 123 1HG GLN 123 -15.587 33.921 7.311 924 HG3 GLN 123 2HG GLN 123 -14.624 34.695 8.583 925 HE21 GLN 123 1HE2 GLN 123 -16.449 36.917 5.792 926 HE22 GLN 123 2HE2 GLN 123 -16.720 35.203 5.996 927 H GLY 124 H GLY 124 -14.648 31.561 9.071 928 HA2 GLY 124 1HA GLY 124 -16.745 30.515 8.649 929 HA3 GLY 124 2HA GLY 124 -16.271 30.234 6.971 930 H THR 125 H THR 125 -13.503 29.217 8.052 931 HA THR 125 HA THR 125 -14.601 26.530 8.789 932 HB THR 125 HB THR 125 -11.834 27.043 7.660 933 HG1 THR 125 HG1 THR 125 -13.458 27.800 6.204 934 HG21 THR 125 1HG2 THR 125 -13.673 24.610 7.551 935 HG22 THR 125 2HG2 THR 125 -12.394 24.816 8.755 936 HG23 THR 125 3HG2 THR 125 -11.980 24.699 7.040 937 H THR 126 H THR 126 -14.160 25.665 10.686 938 HA THR 126 HA THR 126 -11.974 26.851 12.335 939 HB THR 126 HB THR 126 -13.484 26.103 14.290 940 HG1 THR 126 HG1 THR 126 -15.690 25.982 13.740 941 HG21 THR 126 1HG2 THR 126 -14.752 28.183 14.252 942 HG22 THR 126 2HG2 THR 126 -14.472 28.354 12.503 943 HG23 THR 126 3HG2 THR 126 -13.106 28.464 13.642 944 H LEU 127 H LEU 127 -10.836 25.428 13.653 945 HA LEU 127 HA LEU 127 -10.580 22.743 12.600 946 HB2 LEU 127 1HB LEU 127 -9.488 24.001 15.124 947 HB3 LEU 127 2HB LEU 127 -9.035 22.423 14.543 948 HG LEU 127 HG LEU 127 -8.482 24.993 13.038 949 HD11 LEU 127 1HD1 LEU 127 -6.158 24.697 13.786 950 HD12 LEU 127 2HD1 LEU 127 -6.638 23.279 14.749 951 HD13 LEU 127 3HD1 LEU 127 -7.249 24.893 15.175 952 HD21 LEU 127 1HD2 LEU 127 -6.961 23.576 11.714 953 HD22 LEU 127 2HD2 LEU 127 -8.623 22.980 11.605 954 HD23 LEU 127 3HD2 LEU 127 -7.453 22.148 12.654 955 HA PRO 128 HA PRO 128 -13.568 20.913 15.288 956 HB2 PRO 128 1HB PRO 128 -12.871 18.294 15.229 957 HB3 PRO 128 2HB PRO 128 -13.440 19.147 13.759 958 HG2 PRO 128 1HG PRO 128 -10.663 18.527 14.638 959 HG3 PRO 128 2HG PRO 128 -11.422 18.296 13.039 960 HD2 PRO 128 1HD PRO 128 -9.834 20.450 13.698 961 HD3 PRO 128 2HD PRO 128 -11.129 20.541 12.472 962 H LYS 129 H LYS 129 -13.675 19.268 17.226 963 HA LYS 129 HA LYS 129 -12.322 20.427 19.412 964 HB2 LYS 129 1HB LYS 129 -14.437 19.120 19.513 965 HB3 LYS 129 2HB LYS 129 -13.516 17.645 19.188 966 HG2 LYS 129 1HG LYS 129 -12.258 17.967 21.290 967 HG3 LYS 129 2HG LYS 129 -13.199 19.437 21.621 968 HD2 LYS 129 1HD LYS 129 -15.264 18.121 21.645 969 HD3 LYS 129 2HD LYS 129 -14.353 16.657 21.232 970 HE2 LYS 129 1HE LYS 129 -14.789 16.624 23.608 971 HE3 LYS 129 2HE LYS 129 -13.055 16.897 23.354 972 HZ1 LYS 129 1HZ LYS 129 -13.949 18.369 25.047 973 HZ2 LYS 129 2HZ LYS 129 -15.049 19.001 23.992 974 HZ3 LYS 129 3HZ LYS 129 -13.437 19.258 23.757 975 H GLY 130 H GLY 130 -10.364 20.185 20.271 976 HA2 GLY 130 1HA GLY 130 -8.527 18.995 21.071 977 HA3 GLY 130 2HA GLY 130 -8.997 17.603 20.096 978 H PHE 131 H PHE 131 -9.001 20.168 17.955 979 HA PHE 131 HA PHE 131 -6.308 19.405 17.092 980 HB2 PHE 131 1HB PHE 131 -8.834 20.058 15.776 981 HB3 PHE 131 2HB PHE 131 -7.440 20.886 15.079 982 HD1 PHE 131 HD1 PHE 131 -5.628 19.671 14.062 983 HD2 PHE 131 HD2 PHE 131 -9.029 17.605 15.645 984 HE1 PHE 131 HE1 PHE 131 -4.946 17.613 12.820 985 HE2 PHE 131 HE2 PHE 131 -8.380 15.561 14.380 986 HZ PHE 131 HZ PHE 131 -6.324 15.564 12.989 987 H TYR 132 H TYR 132 -4.731 20.725 16.844 988 HA TYR 132 HA TYR 132 -5.142 23.645 16.827 989 HB2 TYR 132 1HB TYR 132 -3.506 24.091 18.541 990 HB3 TYR 132 2HB TYR 132 -4.787 23.084 19.211 991 HD1 TYR 132 HD1 TYR 132 -4.328 20.641 19.724 992 HD2 TYR 132 HD2 TYR 132 -1.203 23.314 18.422 993 HE1 TYR 132 HE1 TYR 132 -2.609 19.069 20.598 994 HE2 TYR 132 HE2 TYR 132 0.506 21.724 19.296 995 HH TYR 132 HH TYR 132 -0.390 18.682 20.938 996 H ALA 133 H ALA 133 -3.036 24.755 16.243 997 HA ALA 133 HA ALA 133 -1.699 23.091 14.176 998 HB1 ALA 133 1HB ALA 133 -3.001 25.062 13.383 999 HB2 ALA 133 2HB ALA 133 -1.269 25.208 13.008 1000 HB3 ALA 133 3HB ALA 133 -1.964 26.123 14.365 1001 H GLU 134 H GLU 134 0.468 23.042 13.871 1002 HA GLU 134 HA GLU 134 2.158 23.493 16.188 1003 HB2 GLU 134 1HB GLU 134 2.593 21.670 14.619 1004 HB3 GLU 134 2HB GLU 134 2.677 22.798 13.287 1005 HG2 GLU 134 1HG GLU 134 4.894 22.295 13.632 1006 HG3 GLU 134 2HG GLU 134 4.728 23.820 14.501 1007 H GLY 135 H GLY 135 3.476 25.197 16.637 1008 HA2 GLY 135 1HA GLY 135 4.799 27.080 16.102 1009 HA3 GLY 135 2HA GLY 135 3.988 27.217 14.535 1010 H SER 136 H SER 136 1.448 26.737 16.449 1011 HA SER 136 HA SER 136 1.163 29.643 17.103 1012 HB2 SER 136 1HB SER 136 -0.381 28.773 15.362 1013 HB3 SER 136 2HB SER 136 -0.981 27.567 16.520 1014 HG SER 136 HG SER 136 -2.231 29.563 16.344 1015 H ARG 137 H ARG 137 0.468 30.238 19.094 1016 HA ARG 137 HA ARG 137 0.205 30.150 21.355 1017 HB2 ARG 137 1HB ARG 137 -1.887 29.016 20.184 1018 HB3 ARG 137 2HB ARG 137 -1.402 27.636 21.148 1019 HG2 ARG 137 1HG ARG 137 -1.971 30.435 22.243 1020 HG3 ARG 137 2HG ARG 137 -3.150 29.119 22.211 1021 HD2 ARG 137 1HD ARG 137 -0.521 29.101 23.740 1022 HD3 ARG 137 2HD ARG 137 -2.126 29.376 24.440 1023 HE ARG 137 HE ARG 137 -2.333 26.947 23.116 1024 HH11 ARG 137 1HH1 ARG 137 -0.255 28.161 25.699 1025 HH12 ARG 137 2HH1 ARG 137 -0.060 26.583 26.408 1026 HH21 ARG 137 1HH2 ARG 137 -2.027 24.968 24.064 1027 HH22 ARG 137 2HH2 ARG 137 -1.048 24.808 25.495 1028 H GLY 138 H GLY 138 2.611 29.503 21.212 1029 HA2 GLY 138 1HA GLY 138 3.000 27.580 23.354 1030 HA3 GLY 138 2HA GLY 138 3.691 27.046 21.796 1031 H GLY 139 H GLY 139 5.520 27.560 23.807 1032 HA2 GLY 139 1HA GLY 139 7.537 28.727 23.907 1033 HA3 GLY 139 2HA GLY 139 6.954 29.815 22.639 1034 H SER 140 H SER 140 5.251 29.125 25.674 1035 HA SER 140 HA SER 140 5.997 31.749 26.816 1036 HB2 SER 140 1HB SER 140 3.605 32.268 27.199 1037 HB3 SER 140 2HB SER 140 3.937 32.155 25.451 1038 HG SER 140 HG SER 140 3.155 29.870 26.901 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 5.268 -2.859 4.265 2 H2 GLY 1 2H GLY 1 6.747 -2.173 4.520 3 H3 GLY 1 3H GLY 1 6.556 -3.300 3.332 4 HA2 GLY 1 1HA GLY 1 5.112 -1.854 2.096 5 HA3 GLY 1 2HA GLY 1 5.293 -0.642 3.381 6 H ALA 2 H ALA 2 5.959 0.035 0.748 7 HA ALA 2 HA ALA 2 8.731 -0.459 0.187 8 HB1 ALA 2 1HB ALA 2 7.073 0.170 -1.555 9 HB2 ALA 2 2HB ALA 2 8.437 1.309 -1.517 10 HB3 ALA 2 3HB ALA 2 6.880 1.769 -0.791 11 H MET 3 H MET 3 10.519 0.862 0.424 12 HA MET 3 HA MET 3 10.356 3.467 1.745 13 HB2 MET 3 1HB MET 3 10.345 1.917 3.700 14 HB3 MET 3 2HB MET 3 11.768 1.092 3.054 15 HG2 MET 3 1HG MET 3 13.106 3.120 3.322 16 HG3 MET 3 2HG MET 3 11.686 4.008 3.901 17 HE1 MET 3 1HE MET 3 14.216 3.380 7.002 18 HE2 MET 3 2HE MET 3 13.555 4.628 5.917 19 HE3 MET 3 3HE MET 3 14.716 3.429 5.295 20 H GLY 4 H GLY 4 12.152 4.657 1.007 21 HA2 GLY 4 1HA GLY 4 14.654 4.249 0.513 22 HA3 GLY 4 2HA GLY 4 14.046 3.138 -0.720 23 H LEU 5 H LEU 5 12.298 4.199 -2.215 24 HA LEU 5 HA LEU 5 13.650 6.329 -3.561 25 HB2 LEU 5 1HB LEU 5 10.890 5.139 -3.869 26 HB3 LEU 5 2HB LEU 5 11.431 6.490 -4.833 27 HG LEU 5 HG LEU 5 13.268 5.082 -5.759 28 HD11 LEU 5 1HD1 LEU 5 13.005 2.602 -5.633 29 HD12 LEU 5 2HD1 LEU 5 11.795 2.816 -4.347 30 HD13 LEU 5 3HD1 LEU 5 13.486 3.319 -4.086 31 HD21 LEU 5 1HD2 LEU 5 11.743 3.848 -7.272 32 HD22 LEU 5 2HD2 LEU 5 11.161 5.493 -6.945 33 HD23 LEU 5 3HD2 LEU 5 10.402 4.106 -6.129 34 HA PRO 6 HA PRO 6 11.676 9.606 -1.305 35 HB2 PRO 6 1HB PRO 6 12.449 11.776 -2.744 36 HB3 PRO 6 2HB PRO 6 13.627 10.819 -1.787 37 HG2 PRO 6 1HG PRO 6 13.036 10.711 -4.739 38 HG3 PRO 6 2HG PRO 6 14.619 10.752 -3.906 39 HD2 PRO 6 1HD PRO 6 13.407 8.435 -4.821 40 HD3 PRO 6 2HD PRO 6 14.554 8.482 -3.436 41 H ASN 7 H ASN 7 9.611 10.465 -1.361 42 HA ASN 7 HA ASN 7 8.060 10.247 -3.845 43 HB2 ASN 7 1HB ASN 7 7.207 9.846 -1.439 44 HB3 ASN 7 2HB ASN 7 7.185 11.611 -1.278 45 HD21 ASN 7 1HD2 ASN 7 3.974 11.698 -2.584 46 HD22 ASN 7 2HD2 ASN 7 5.143 12.273 -1.417 47 H ASN 8 H ASN 8 9.955 12.533 -2.179 48 HA ASN 8 HA ASN 8 10.635 14.665 -2.527 49 HB2 ASN 8 1HB ASN 8 11.002 13.652 -4.837 50 HB3 ASN 8 2HB ASN 8 9.508 14.466 -5.326 51 HD21 ASN 8 1HD2 ASN 8 11.379 17.269 -6.152 52 HD22 ASN 8 2HD2 ASN 8 10.213 16.060 -6.619 53 H THR 9 H THR 9 8.392 14.624 -1.093 54 HA THR 9 HA THR 9 6.922 16.964 -2.037 55 HB THR 9 HB THR 9 4.806 15.950 -1.203 56 HG1 THR 9 HG1 THR 9 6.035 14.393 0.151 57 HG21 THR 9 1HG2 THR 9 4.395 14.450 -3.018 58 HG22 THR 9 2HG2 THR 9 6.134 14.140 -3.215 59 HG23 THR 9 3HG2 THR 9 5.467 15.744 -3.606 60 H ALA 10 H ALA 10 6.791 18.371 -0.517 61 HA ALA 10 HA ALA 10 6.816 17.526 2.342 62 HB1 ALA 10 1HB ALA 10 9.097 18.404 1.653 63 HB2 ALA 10 2HB ALA 10 8.306 19.333 2.946 64 HB3 ALA 10 3HB ALA 10 8.312 19.957 1.281 65 H SER 11 H SER 11 5.278 18.560 3.548 66 HA SER 11 HA SER 11 3.183 19.935 2.158 67 HB2 SER 11 1HB SER 11 2.316 20.321 4.486 68 HB3 SER 11 2HB SER 11 2.731 18.628 4.149 69 HG SER 11 HG SER 11 4.000 20.488 5.810 70 H TRP 12 H TRP 12 2.654 22.076 2.051 71 HA TRP 12 HA TRP 12 4.772 23.986 2.323 72 HB2 TRP 12 1HB TRP 12 1.945 24.029 1.433 73 HB3 TRP 12 2HB TRP 12 2.595 25.556 2.060 74 HD1 TRP 12 HD1 TRP 12 2.837 23.266 -0.942 75 HE1 TRP 12 HE1 TRP 12 4.389 24.193 -2.716 76 HE3 TRP 12 HE3 TRP 12 4.869 27.027 1.847 77 HZ2 TRP 12 HZ2 TRP 12 6.280 26.318 -2.916 78 HZ3 TRP 12 HZ3 TRP 12 6.604 28.497 0.793 79 HH2 TRP 12 HH2 TRP 12 7.294 28.127 -1.579 80 H PHE 13 H PHE 13 2.366 22.868 4.533 81 HA PHE 13 HA PHE 13 2.908 25.216 6.268 82 HB2 PHE 13 1HB PHE 13 0.401 23.537 6.207 83 HB3 PHE 13 2HB PHE 13 0.646 25.080 7.034 84 HD1 PHE 13 HD1 PHE 13 0.780 27.184 5.721 85 HD2 PHE 13 HD2 PHE 13 -0.136 23.410 3.887 86 HE1 PHE 13 HE1 PHE 13 0.019 28.370 3.667 87 HE2 PHE 13 HE2 PHE 13 -0.914 24.577 1.852 88 HZ PHE 13 HZ PHE 13 -0.821 27.049 1.715 89 H THR 14 H THR 14 2.492 24.909 8.540 90 HA THR 14 HA THR 14 3.971 22.681 9.609 91 HB THR 14 HB THR 14 3.289 23.640 11.812 92 HG1 THR 14 HG1 THR 14 1.918 25.363 11.891 93 HG21 THR 14 1HG2 THR 14 4.177 25.748 9.812 94 HG22 THR 14 2HG2 THR 14 5.240 24.581 10.630 95 HG23 THR 14 3HG2 THR 14 4.379 25.815 11.573 96 H ALA 15 H ALA 15 3.031 21.372 11.506 97 HA ALA 15 HA ALA 15 0.847 19.877 10.300 98 HB1 ALA 15 1HB ALA 15 1.478 18.165 11.722 99 HB2 ALA 15 2HB ALA 15 2.039 19.280 12.989 100 HB3 ALA 15 3HB ALA 15 3.006 19.051 11.526 101 H LEU 16 H LEU 16 -1.169 19.541 10.974 102 HA LEU 16 HA LEU 16 -2.222 21.088 13.291 103 HB2 LEU 16 1HB LEU 16 -3.426 19.101 11.322 104 HB3 LEU 16 2HB LEU 16 -4.277 19.655 12.750 105 HG LEU 16 HG LEU 16 -3.395 21.403 10.475 106 HD11 LEU 16 1HD1 LEU 16 -5.796 21.542 9.983 107 HD12 LEU 16 2HD1 LEU 16 -6.155 20.469 11.360 108 HD13 LEU 16 3HD1 LEU 16 -5.262 19.849 9.953 109 HD21 LEU 16 1HD2 LEU 16 -4.883 23.089 11.640 110 HD22 LEU 16 2HD2 LEU 16 -3.354 22.734 12.453 111 HD23 LEU 16 3HD2 LEU 16 -4.868 22.013 13.055 112 H THR 17 H THR 17 -2.808 19.973 15.234 113 HA THR 17 HA THR 17 -1.771 17.172 15.403 114 HB THR 17 HB THR 17 -1.381 19.369 17.465 115 HG1 THR 17 HG1 THR 17 -0.160 19.628 15.499 116 HG21 THR 17 1HG2 THR 17 -1.402 17.211 18.486 117 HG22 THR 17 2HG2 THR 17 0.288 17.735 18.345 118 HG23 THR 17 3HG2 THR 17 -0.363 16.530 17.205 119 H GLN 18 H GLN 18 -2.939 15.788 16.698 120 HA GLN 18 HA GLN 18 -5.588 16.860 17.572 121 HB2 GLN 18 1HB GLN 18 -5.662 15.227 15.762 122 HB3 GLN 18 2HB GLN 18 -4.644 14.125 16.657 123 HG2 GLN 18 1HG GLN 18 -6.911 13.300 16.679 124 HG3 GLN 18 2HG GLN 18 -6.460 13.763 18.314 125 HE21 GLN 18 1HE2 GLN 18 -9.855 15.102 16.879 126 HE22 GLN 18 2HE2 GLN 18 -8.980 13.662 16.369 127 H HIS 19 H HIS 19 -6.365 16.581 19.528 128 HA HIS 19 HA HIS 19 -5.128 14.524 21.319 129 HB2 HIS 19 1HB HIS 19 -4.393 16.765 22.107 130 HB3 HIS 19 2HB HIS 19 -6.067 17.329 22.068 131 HD1 HIS 19 HD1 HIS 19 -3.684 15.278 24.144 132 HD2 HIS 19 HD2 HIS 19 -7.700 16.384 24.145 133 HE1 HIS 19 HE1 HIS 19 -4.610 14.684 26.423 134 H GLY 20 H GLY 20 -6.749 13.026 20.966 135 HA2 GLY 20 1HA GLY 20 -9.259 13.158 22.109 136 HA3 GLY 20 2HA GLY 20 -9.479 13.846 20.479 137 H LYS 21 H LYS 21 -10.847 11.850 20.140 138 HA LYS 21 HA LYS 21 -9.121 9.462 19.623 139 HB2 LYS 21 1HB LYS 21 -12.042 9.682 20.359 140 HB3 LYS 21 2HB LYS 21 -11.336 8.227 19.644 141 HG2 LYS 21 1HG LYS 21 -9.624 8.242 21.495 142 HG3 LYS 21 2HG LYS 21 -10.575 9.520 22.276 143 HD2 LYS 21 1HD LYS 21 -12.527 8.009 22.364 144 HD3 LYS 21 2HD LYS 21 -11.590 6.750 21.528 145 HE2 LYS 21 1HE LYS 21 -9.934 6.785 23.402 146 HE3 LYS 21 2HE LYS 21 -10.968 7.944 24.260 147 HZ1 LYS 21 1HZ LYS 21 -11.366 5.675 24.996 148 HZ2 LYS 21 2HZ LYS 21 -11.759 5.195 23.468 149 HZ3 LYS 21 3HZ LYS 21 -12.723 6.269 24.269 150 H GLU 22 H GLU 22 -11.264 11.715 18.007 151 HA GLU 22 HA GLU 22 -11.547 10.015 15.650 152 HB2 GLU 22 1HB GLU 22 -11.871 13.014 16.037 153 HB3 GLU 22 2HB GLU 22 -12.097 12.185 14.504 154 HG2 GLU 22 1HG GLU 22 -13.785 10.705 15.845 155 HG3 GLU 22 2HG GLU 22 -13.807 12.087 16.957 156 H ASP 23 H ASP 23 -10.444 10.539 13.603 157 HA ASP 23 HA ASP 23 -7.616 11.018 14.153 158 HB2 ASP 23 1HB ASP 23 -9.080 9.449 12.345 159 HB3 ASP 23 2HB ASP 23 -8.334 10.687 11.335 160 H LEU 24 H LEU 24 -9.841 12.326 11.643 161 HA LEU 24 HA LEU 24 -9.544 15.074 12.352 162 HB2 LEU 24 1HB LEU 24 -7.267 14.884 11.370 163 HB3 LEU 24 2HB LEU 24 -7.938 14.162 9.918 164 HG LEU 24 HG LEU 24 -9.006 16.257 9.301 165 HD11 LEU 24 1HD1 LEU 24 -7.713 17.629 11.686 166 HD12 LEU 24 2HD1 LEU 24 -9.422 17.177 11.642 167 HD13 LEU 24 3HD1 LEU 24 -8.789 18.337 10.468 168 HD21 LEU 24 1HD2 LEU 24 -7.034 17.577 8.828 169 HD22 LEU 24 2HD2 LEU 24 -6.668 15.848 8.661 170 HD23 LEU 24 3HD2 LEU 24 -6.134 16.733 10.108 171 H LYS 25 H LYS 25 -11.001 16.310 11.024 172 HA LYS 25 HA LYS 25 -12.246 15.036 8.706 173 HB2 LYS 25 1HB LYS 25 -13.319 14.354 11.122 174 HB3 LYS 25 2HB LYS 25 -14.139 15.877 10.876 175 HG2 LYS 25 1HG LYS 25 -15.632 14.283 10.013 176 HG3 LYS 25 2HG LYS 25 -14.859 14.966 8.579 177 HD2 LYS 25 1HD LYS 25 -15.036 12.523 8.371 178 HD3 LYS 25 2HD LYS 25 -13.334 13.000 8.454 179 HE2 LYS 25 1HE LYS 25 -13.812 10.976 9.825 180 HE3 LYS 25 2HE LYS 25 -13.198 12.318 10.797 181 HZ1 LYS 25 1HZ LYS 25 -14.966 11.557 12.033 182 HZ2 LYS 25 2HZ LYS 25 -15.931 11.242 10.722 183 HZ3 LYS 25 3HZ LYS 25 -15.667 12.794 11.216 184 H PHE 26 H PHE 26 -12.873 16.650 7.311 185 HA PHE 26 HA PHE 26 -13.524 19.299 8.534 186 HB2 PHE 26 1HB PHE 26 -11.775 18.687 6.148 187 HB3 PHE 26 2HB PHE 26 -12.620 20.229 6.299 188 HD1 PHE 26 HD1 PHE 26 -12.409 20.996 9.074 189 HD2 PHE 26 HD2 PHE 26 -9.475 19.066 6.568 190 HE1 PHE 26 HE1 PHE 26 -10.601 21.894 10.507 191 HE2 PHE 26 HE2 PHE 26 -7.669 19.940 8.035 192 HZ PHE 26 HZ PHE 26 -8.223 21.362 9.994 193 HA PRO 27 HA PRO 27 -17.176 18.792 6.108 194 HB2 PRO 27 1HB PRO 27 -18.057 21.377 5.856 195 HB3 PRO 27 2HB PRO 27 -18.111 20.490 7.409 196 HG2 PRO 27 1HG PRO 27 -16.129 22.469 6.455 197 HG3 PRO 27 2HG PRO 27 -16.924 22.336 8.036 198 HD2 PRO 27 1HD PRO 27 -14.395 21.444 7.536 199 HD3 PRO 27 2HD PRO 27 -15.483 20.675 8.743 200 H ARG 28 H ARG 28 -18.044 19.090 3.972 201 HA ARG 28 HA ARG 28 -16.036 19.348 1.922 202 HB2 ARG 28 1HB ARG 28 -18.021 17.870 1.739 203 HB3 ARG 28 2HB ARG 28 -19.081 19.280 1.774 204 HG2 ARG 28 1HG ARG 28 -18.966 18.567 -0.492 205 HG3 ARG 28 2HG ARG 28 -18.016 20.052 -0.386 206 HD2 ARG 28 1HD ARG 28 -15.934 18.683 -0.251 207 HD3 ARG 28 2HD ARG 28 -16.908 17.213 -0.429 208 HE ARG 28 HE ARG 28 -16.252 19.205 -2.500 209 HH11 ARG 28 1HH1 ARG 28 -18.264 16.403 -1.708 210 HH12 ARG 28 2HH1 ARG 28 -18.598 16.062 -3.384 211 HH21 ARG 28 1HH2 ARG 28 -16.742 18.710 -4.604 212 HH22 ARG 28 2HH2 ARG 28 -17.751 17.343 -4.987 213 H GLY 29 H GLY 29 -15.528 21.045 0.574 214 HA2 GLY 29 1HA GLY 29 -15.840 23.109 -0.501 215 HA3 GLY 29 2HA GLY 29 -17.249 23.437 0.528 216 H GLN 30 H GLN 30 -14.879 22.232 2.466 217 HA GLN 30 HA GLN 30 -13.590 24.820 3.116 218 HB2 GLN 30 1HB GLN 30 -15.626 23.272 4.673 219 HB3 GLN 30 2HB GLN 30 -14.319 24.034 5.567 220 HG2 GLN 30 1HG GLN 30 -14.965 26.205 4.710 221 HG3 GLN 30 2HG GLN 30 -16.267 25.455 3.758 222 HE21 GLN 30 1HE2 GLN 30 -16.600 25.763 7.827 223 HE22 GLN 30 2HE2 GLN 30 -15.020 25.902 7.052 224 H GLY 31 H GLY 31 -12.187 24.277 5.193 225 HA2 GLY 31 1HA GLY 31 -10.971 22.647 6.435 226 HA3 GLY 31 2HA GLY 31 -11.252 21.463 5.150 227 H VAL 32 H VAL 32 -10.565 23.471 3.079 228 HA VAL 32 HA VAL 32 -7.765 22.916 2.867 229 HB VAL 32 HB VAL 32 -9.515 25.045 1.503 230 HG11 VAL 32 1HG1 VAL 32 -7.740 25.090 -0.196 231 HG12 VAL 32 2HG1 VAL 32 -6.718 24.118 0.869 232 HG13 VAL 32 3HG1 VAL 32 -7.252 25.748 1.356 233 HG21 VAL 32 1HG2 VAL 32 -9.493 23.495 -0.422 234 HG22 VAL 32 2HG2 VAL 32 -10.238 22.745 1.009 235 HG23 VAL 32 3HG2 VAL 32 -8.574 22.316 0.537 236 HA PRO 33 HA PRO 33 -6.588 26.134 5.703 237 HB2 PRO 33 1HB PRO 33 -3.884 25.913 5.474 238 HB3 PRO 33 2HB PRO 33 -4.878 24.665 6.290 239 HG2 PRO 33 1HG PRO 33 -3.799 24.708 3.525 240 HG3 PRO 33 2HG PRO 33 -3.787 23.396 4.729 241 HD2 PRO 33 1HD PRO 33 -5.581 23.479 2.744 242 HD3 PRO 33 2HD PRO 33 -5.934 22.787 4.353 243 H ILE 34 H ILE 34 -5.256 28.178 5.608 244 HA ILE 34 HA ILE 34 -5.840 29.547 3.134 245 HB ILE 34 HB ILE 34 -4.152 30.360 5.532 246 HG12 ILE 34 1HG1 ILE 34 -6.942 31.189 4.677 247 HG13 ILE 34 2HG1 ILE 34 -6.589 29.964 5.894 248 HG21 ILE 34 1HG2 ILE 34 -5.167 32.100 3.237 249 HG22 ILE 34 2HG2 ILE 34 -3.471 31.606 3.469 250 HG23 ILE 34 3HG2 ILE 34 -4.247 32.653 4.656 251 HD11 ILE 34 1HD1 ILE 34 -7.113 32.014 6.989 252 HD12 ILE 34 2HD1 ILE 34 -5.900 32.885 6.035 253 HD13 ILE 34 3HD1 ILE 34 -5.392 31.658 7.222 254 H ASN 35 H ASN 35 -4.782 29.367 1.351 255 HA ASN 35 HA ASN 35 -1.915 28.544 1.432 256 HB2 ASN 35 1HB ASN 35 -3.882 28.421 -0.856 257 HB3 ASN 35 2HB ASN 35 -2.193 27.950 -0.942 258 HD21 ASN 35 1HD2 ASN 35 -4.951 25.371 0.336 259 HD22 ASN 35 2HD2 ASN 35 -5.342 26.961 -0.278 260 H THR 36 H THR 36 -0.819 30.438 1.651 261 HA THR 36 HA THR 36 -1.585 32.855 0.260 262 HB THR 36 HB THR 36 0.616 33.686 1.102 263 HG1 THR 36 HG1 THR 36 2.057 32.301 1.909 264 HG21 THR 36 1HG2 THR 36 0.156 33.458 3.462 265 HG22 THR 36 2HG2 THR 36 -0.786 31.977 3.186 266 HG23 THR 36 3HG2 THR 36 -1.401 33.548 2.611 267 H ASN 37 H ASN 37 0.298 30.084 -0.524 268 HA ASN 37 HA ASN 37 1.540 31.484 -2.859 269 HB2 ASN 37 1HB ASN 37 2.347 28.925 -1.428 270 HB3 ASN 37 2HB ASN 37 3.164 29.603 -2.843 271 HD21 ASN 37 1HD2 ASN 37 4.132 30.853 0.794 272 HD22 ASN 37 2HD2 ASN 37 3.115 29.471 0.473 273 H SER 38 H SER 38 -1.247 30.555 -2.989 274 HA SER 38 HA SER 38 -0.845 28.692 -5.267 275 HB2 SER 38 1HB SER 38 -2.878 28.184 -3.075 276 HB3 SER 38 2HB SER 38 -2.596 27.188 -4.506 277 HG SER 38 HG SER 38 -0.270 27.517 -3.340 278 H SER 39 H SER 39 -2.360 28.776 -6.883 279 HA SER 39 HA SER 39 -3.965 31.183 -7.110 280 HB2 SER 39 1HB SER 39 -4.396 28.774 -8.854 281 HB3 SER 39 2HB SER 39 -4.214 30.482 -9.314 282 HG SER 39 HG SER 39 -2.310 28.490 -8.953 283 HA PRO 40 HA PRO 40 -7.661 29.596 -5.407 284 HB2 PRO 40 1HB PRO 40 -9.720 30.102 -7.141 285 HB3 PRO 40 2HB PRO 40 -8.891 31.388 -6.198 286 HG2 PRO 40 1HG PRO 40 -8.369 30.526 -9.034 287 HG3 PRO 40 2HG PRO 40 -8.684 32.172 -8.395 288 HD2 PRO 40 1HD PRO 40 -6.173 31.326 -8.817 289 HD3 PRO 40 2HD PRO 40 -6.569 32.296 -7.355 290 H ASP 41 H ASP 41 -6.948 28.673 -8.729 291 HA ASP 41 HA ASP 41 -8.520 26.332 -8.986 292 HB2 ASP 41 1HB ASP 41 -5.688 26.793 -10.004 293 HB3 ASP 41 2HB ASP 41 -6.918 25.750 -10.725 294 H ASP 42 H ASP 42 -5.598 27.038 -7.216 295 HA ASP 42 HA ASP 42 -4.806 24.208 -7.059 296 HB2 ASP 42 1HB ASP 42 -3.456 26.788 -6.283 297 HB3 ASP 42 2HB ASP 42 -2.739 25.194 -6.045 298 H GLN 43 H GLN 43 -6.792 26.095 -5.203 299 HA GLN 43 HA GLN 43 -5.839 25.636 -2.548 300 HB2 GLN 43 1HB GLN 43 -8.682 25.850 -3.593 301 HB3 GLN 43 2HB GLN 43 -8.193 26.028 -1.912 302 HG2 GLN 43 1HG GLN 43 -7.432 27.833 -4.208 303 HG3 GLN 43 2HG GLN 43 -8.548 28.216 -2.900 304 HE21 GLN 43 1HE2 GLN 43 -4.692 29.076 -2.560 305 HE22 GLN 43 2HE2 GLN 43 -5.528 28.721 -4.053 306 H ILE 44 H ILE 44 -7.414 23.473 -4.803 307 HA ILE 44 HA ILE 44 -8.524 21.603 -3.019 308 HB ILE 44 HB ILE 44 -8.945 21.690 -5.444 309 HG12 ILE 44 1HG1 ILE 44 -7.856 18.973 -4.729 310 HG13 ILE 44 2HG1 ILE 44 -9.327 19.640 -4.020 311 HG21 ILE 44 1HG2 ILE 44 -6.138 20.553 -5.766 312 HG22 ILE 44 2HG2 ILE 44 -6.679 22.172 -6.260 313 HG23 ILE 44 3HG2 ILE 44 -7.326 20.738 -7.054 314 HD11 ILE 44 1HD1 ILE 44 -10.258 19.918 -6.314 315 HD12 ILE 44 2HD1 ILE 44 -9.920 18.230 -5.864 316 HD13 ILE 44 3HD1 ILE 44 -8.796 19.076 -6.941 317 H GLY 45 H GLY 45 -7.854 19.817 -1.920 318 HA2 GLY 45 1HA GLY 45 -5.344 18.547 -2.357 319 HA3 GLY 45 2HA GLY 45 -5.165 19.732 -1.062 320 H TYR 46 H TYR 46 -4.634 17.940 0.286 321 HA TYR 46 HA TYR 46 -7.035 16.904 1.613 322 HB2 TYR 46 1HB TYR 46 -6.469 14.587 1.391 323 HB3 TYR 46 2HB TYR 46 -6.488 15.261 -0.227 324 HD1 TYR 46 HD1 TYR 46 -4.368 15.545 -1.489 325 HD2 TYR 46 HD2 TYR 46 -4.483 13.851 2.465 326 HE1 TYR 46 HE1 TYR 46 -2.062 14.658 -1.825 327 HE2 TYR 46 HE2 TYR 46 -2.174 12.927 2.093 328 HH TYR 46 HH TYR 46 -0.335 13.469 -0.905 329 H TYR 47 H TYR 47 -6.268 15.714 3.675 330 HA TYR 47 HA TYR 47 -3.590 16.814 4.495 331 HB2 TYR 47 1HB TYR 47 -6.016 16.167 6.160 332 HB3 TYR 47 2HB TYR 47 -4.422 16.414 6.828 333 HD1 TYR 47 HD1 TYR 47 -6.923 18.258 4.654 334 HD2 TYR 47 HD2 TYR 47 -3.796 18.495 7.608 335 HE1 TYR 47 HE1 TYR 47 -7.366 20.672 4.948 336 HE2 TYR 47 HE2 TYR 47 -4.262 20.916 7.885 337 HH TYR 47 HH TYR 47 -6.918 22.554 6.181 338 H ARG 48 H ARG 48 -2.144 15.406 5.318 339 HA ARG 48 HA ARG 48 -2.893 12.524 5.153 340 HB2 ARG 48 1HB ARG 48 -1.090 13.552 3.608 341 HB3 ARG 48 2HB ARG 48 -0.082 13.652 5.057 342 HG2 ARG 48 1HG ARG 48 -0.322 11.263 5.435 343 HG3 ARG 48 2HG ARG 48 -1.419 11.134 4.072 344 HD2 ARG 48 1HD ARG 48 0.466 11.977 2.614 345 HD3 ARG 48 2HD ARG 48 1.531 11.719 4.016 346 HE ARG 48 HE ARG 48 0.464 9.725 2.238 347 HH11 ARG 48 1HH1 ARG 48 1.281 10.102 5.677 348 HH12 ARG 48 2HH1 ARG 48 1.530 8.390 5.877 349 HH21 ARG 48 1HH2 ARG 48 0.798 7.575 2.607 350 HH22 ARG 48 2HH2 ARG 48 1.242 6.996 4.189 351 H ARG 49 H ARG 49 -2.746 11.289 6.879 352 HA ARG 49 HA ARG 49 -2.096 12.303 9.486 353 HB2 ARG 49 1HB ARG 49 -3.560 10.316 8.771 354 HB3 ARG 49 2HB ARG 49 -2.062 9.405 8.582 355 HG2 ARG 49 1HG ARG 49 -1.578 9.829 11.010 356 HG3 ARG 49 2HG ARG 49 -3.168 10.620 11.127 357 HD2 ARG 49 1HD ARG 49 -4.044 8.415 10.017 358 HD3 ARG 49 2HD ARG 49 -2.522 7.714 10.590 359 HE ARG 49 HE ARG 49 -4.827 8.676 12.183 360 HH11 ARG 49 1HH1 ARG 49 -1.523 7.387 12.315 361 HH12 ARG 49 2HH1 ARG 49 -1.661 6.991 14.007 362 HH21 ARG 49 1HH2 ARG 49 -4.916 8.187 14.271 363 HH22 ARG 49 2HH2 ARG 49 -3.577 7.417 15.104 364 H ALA 50 H ALA 50 -0.288 12.118 10.732 365 HA ALA 50 HA ALA 50 2.053 10.591 9.768 366 HB1 ALA 50 1HB ALA 50 2.361 12.828 8.769 367 HB2 ALA 50 2HB ALA 50 3.538 12.556 10.077 368 HB3 ALA 50 3HB ALA 50 2.104 13.573 10.363 369 H THR 51 H THR 51 3.744 10.612 11.551 370 HA THR 51 HA THR 51 2.750 11.186 14.269 371 HB THR 51 HB THR 51 1.775 8.936 13.820 372 HG1 THR 51 HG1 THR 51 2.766 7.877 15.537 373 HG21 THR 51 1HG2 THR 51 3.223 7.008 13.322 374 HG22 THR 51 2HG2 THR 51 4.633 8.073 13.198 375 HG23 THR 51 3HG2 THR 51 3.307 8.199 12.016 376 H ARG 52 H ARG 52 4.575 10.798 15.835 377 HA ARG 52 HA ARG 52 7.209 11.269 14.491 378 HB2 ARG 52 1HB ARG 52 6.244 12.533 16.592 379 HB3 ARG 52 2HB ARG 52 6.862 11.108 17.444 380 HG2 ARG 52 1HG ARG 52 9.011 11.588 15.982 381 HG3 ARG 52 2HG ARG 52 8.339 13.230 15.928 382 HD2 ARG 52 1HD ARG 52 8.807 11.602 18.405 383 HD3 ARG 52 2HD ARG 52 9.929 12.815 17.770 384 HE ARG 52 HE ARG 52 7.386 14.031 18.079 385 HH11 ARG 52 1HH1 ARG 52 9.973 12.794 20.141 386 HH12 ARG 52 2HH1 ARG 52 9.575 13.880 21.445 387 HH21 ARG 52 1HH2 ARG 52 6.940 15.383 19.792 388 HH22 ARG 52 2HH2 ARG 52 7.893 15.312 21.249 389 H ARG 53 H ARG 53 8.555 9.542 14.152 390 HA ARG 53 HA ARG 53 8.224 7.103 15.807 391 HB2 ARG 53 1HB ARG 53 6.523 7.035 13.962 392 HB3 ARG 53 2HB ARG 53 7.820 7.210 12.784 393 HG2 ARG 53 1HG ARG 53 8.178 4.940 14.623 394 HG3 ARG 53 2HG ARG 53 6.713 4.841 13.635 395 HD2 ARG 53 1HD ARG 53 9.465 5.412 12.477 396 HD3 ARG 53 2HD ARG 53 8.786 3.782 12.622 397 HE ARG 53 HE ARG 53 6.860 5.340 11.301 398 HH11 ARG 53 1HH1 ARG 53 10.127 4.174 10.643 399 HH12 ARG 53 2HH1 ARG 53 9.880 4.167 8.916 400 HH21 ARG 53 1HH2 ARG 53 6.614 5.294 9.090 401 HH22 ARG 53 2HH2 ARG 53 7.925 4.790 8.057 402 H ILE 54 H ILE 54 9.881 5.753 15.833 403 HA ILE 54 HA ILE 54 12.326 6.561 14.329 404 HB ILE 54 HB ILE 54 13.661 6.343 16.236 405 HG12 ILE 54 1HG1 ILE 54 12.995 4.264 17.197 406 HG13 ILE 54 2HG1 ILE 54 12.960 5.477 18.456 407 HG21 ILE 54 1HG2 ILE 54 12.831 7.878 17.900 408 HG22 ILE 54 2HG2 ILE 54 11.156 7.603 17.382 409 HG23 ILE 54 3HG2 ILE 54 12.311 8.400 16.285 410 HD11 ILE 54 1HD1 ILE 54 10.404 5.567 17.985 411 HD12 ILE 54 2HD1 ILE 54 11.064 4.185 18.876 412 HD13 ILE 54 3HD1 ILE 54 10.657 4.022 17.161 413 H ARG 55 H ARG 55 13.975 4.558 14.689 414 HA ARG 55 HA ARG 55 12.351 2.038 14.503 415 HB2 ARG 55 1HB ARG 55 13.521 2.646 12.357 416 HB3 ARG 55 2HB ARG 55 15.062 2.509 13.214 417 HG2 ARG 55 1HG ARG 55 13.599 0.138 13.809 418 HG3 ARG 55 2HG ARG 55 13.372 0.425 12.081 419 HD2 ARG 55 1HD ARG 55 15.290 -1.015 12.501 420 HD3 ARG 55 2HD ARG 55 15.806 0.513 11.764 421 HE ARG 55 HE ARG 55 16.067 0.957 14.478 422 HH11 ARG 55 1HH1 ARG 55 17.364 -1.531 12.321 423 HH12 ARG 55 2HH1 ARG 55 18.803 -1.735 13.282 424 HH21 ARG 55 1HH2 ARG 55 17.926 0.656 15.621 425 HH22 ARG 55 2HH2 ARG 55 19.111 -0.523 15.122 426 H GLY 56 H GLY 56 12.455 1.237 16.527 427 HA2 GLY 56 1HA GLY 56 14.794 1.583 18.209 428 HA3 GLY 56 2HA GLY 56 13.399 0.521 18.532 429 H GLY 57 H GLY 57 16.038 -0.413 19.061 430 HA2 GLY 57 1HA GLY 57 17.219 -1.737 16.846 431 HA3 GLY 57 2HA GLY 57 17.427 -2.195 18.545 432 H ASP 58 H ASP 58 14.774 -2.832 19.179 433 HA ASP 58 HA ASP 58 14.470 -5.386 17.709 434 HB2 ASP 58 1HB ASP 58 14.686 -5.204 20.233 435 HB3 ASP 58 2HB ASP 58 13.082 -4.469 20.237 436 H GLY 59 H GLY 59 13.568 -2.517 16.969 437 HA2 GLY 59 1HA GLY 59 12.083 -1.960 15.266 438 HA3 GLY 59 2HA GLY 59 11.186 -3.452 15.570 439 H LYS 60 H LYS 60 11.730 -1.793 18.429 440 HA LYS 60 HA LYS 60 8.942 -1.434 18.780 441 HB2 LYS 60 1HB LYS 60 11.190 -0.396 20.524 442 HB3 LYS 60 2HB LYS 60 9.511 -0.696 21.000 443 HG2 LYS 60 1HG LYS 60 11.729 -2.672 20.438 444 HG3 LYS 60 2HG LYS 60 10.702 -2.541 21.868 445 HD2 LYS 60 1HD LYS 60 8.754 -3.376 20.445 446 HD3 LYS 60 2HD LYS 60 9.921 -3.620 19.115 447 HE2 LYS 60 1HE LYS 60 11.255 -4.892 20.983 448 HE3 LYS 60 2HE LYS 60 9.646 -5.111 21.686 449 HZ1 LYS 60 1HZ LYS 60 10.369 -5.849 18.894 450 HZ2 LYS 60 2HZ LYS 60 8.967 -6.244 19.684 451 HZ3 LYS 60 3HZ LYS 60 10.410 -6.909 20.154 452 H MET 61 H MET 61 7.734 0.226 19.038 453 HA MET 61 HA MET 61 8.469 2.624 17.501 454 HB2 MET 61 1HB MET 61 5.792 1.682 18.582 455 HB3 MET 61 2HB MET 61 6.024 3.020 17.456 456 HG2 MET 61 1HG MET 61 6.933 0.231 16.716 457 HG3 MET 61 2HG MET 61 5.236 0.695 16.583 458 HE1 MET 61 1HE MET 61 8.574 2.890 15.534 459 HE2 MET 61 2HE MET 61 8.659 2.106 13.937 460 HE3 MET 61 3HE MET 61 8.763 1.115 15.409 461 H LYS 62 H LYS 62 7.376 4.665 18.105 462 HA LYS 62 HA LYS 62 7.322 5.165 21.059 463 HB2 LYS 62 1HB LYS 62 8.960 6.372 19.032 464 HB3 LYS 62 2HB LYS 62 7.747 7.555 19.488 465 HG2 LYS 62 1HG LYS 62 9.672 7.850 20.805 466 HG3 LYS 62 2HG LYS 62 8.337 7.241 21.804 467 HD2 LYS 62 1HD LYS 62 9.259 4.964 21.633 468 HD3 LYS 62 2HD LYS 62 10.597 5.581 20.660 469 HE2 LYS 62 1HE LYS 62 11.410 6.917 22.520 470 HE3 LYS 62 2HE LYS 62 9.960 6.539 23.476 471 HZ1 LYS 62 1HZ LYS 62 11.815 5.169 24.162 472 HZ2 LYS 62 2HZ LYS 62 12.008 4.566 22.638 473 HZ3 LYS 62 3HZ LYS 62 10.644 4.217 23.498 474 H ASP 63 H ASP 63 6.387 5.959 17.885 475 HA ASP 63 HA ASP 63 4.699 7.349 17.060 476 HB2 ASP 63 1HB ASP 63 3.798 4.734 17.947 477 HB3 ASP 63 2HB ASP 63 2.480 5.891 17.689 478 H LEU 64 H LEU 64 4.776 9.250 18.065 479 HA LEU 64 HA LEU 64 3.261 9.800 20.495 480 HB2 LEU 64 1HB LEU 64 4.776 11.430 18.457 481 HB3 LEU 64 2HB LEU 64 3.712 12.241 19.583 482 HG LEU 64 HG LEU 64 6.056 12.346 20.265 483 HD11 LEU 64 1HD1 LEU 64 5.715 11.779 22.606 484 HD12 LEU 64 2HD1 LEU 64 4.366 10.702 22.187 485 HD13 LEU 64 3HD1 LEU 64 4.221 12.457 21.929 486 HD21 LEU 64 1HD2 LEU 64 7.272 10.438 21.137 487 HD22 LEU 64 2HD2 LEU 64 6.817 10.108 19.451 488 HD23 LEU 64 3HD2 LEU 64 5.912 9.348 20.781 489 H SER 65 H SER 65 1.647 11.735 20.363 490 HA SER 65 HA SER 65 -0.706 10.918 19.234 491 HB2 SER 65 1HB SER 65 0.078 13.837 19.505 492 HB3 SER 65 2HB SER 65 -1.544 13.125 19.671 493 HG SER 65 HG SER 65 -0.815 13.348 21.720 494 HA PRO 66 HA PRO 66 -0.172 11.473 14.976 495 HB2 PRO 66 1HB PRO 66 -2.732 11.647 14.016 496 HB3 PRO 66 2HB PRO 66 -2.033 10.124 14.656 497 HG2 PRO 66 1HG PRO 66 -3.748 12.146 16.075 498 HG3 PRO 66 2HG PRO 66 -3.971 10.372 15.949 499 HD2 PRO 66 1HD PRO 66 -2.805 11.467 18.112 500 HD3 PRO 66 2HD PRO 66 -2.176 9.931 17.414 501 H ARG 67 H ARG 67 0.030 12.950 13.411 502 HA ARG 67 HA ARG 67 -1.149 15.659 13.893 503 HB2 ARG 67 1HB ARG 67 1.459 15.265 12.455 504 HB3 ARG 67 2HB ARG 67 0.860 16.678 13.328 505 HG2 ARG 67 1HG ARG 67 1.150 15.277 15.457 506 HG3 ARG 67 2HG ARG 67 2.062 14.145 14.426 507 HD2 ARG 67 1HD ARG 67 3.680 15.554 15.326 508 HD3 ARG 67 2HD ARG 67 3.403 16.159 13.680 509 HE ARG 67 HE ARG 67 1.712 17.468 15.652 510 HH11 ARG 67 1HH1 ARG 67 4.951 17.615 14.209 511 HH12 ARG 67 2HH1 ARG 67 5.136 19.308 14.638 512 HH21 ARG 67 1HH2 ARG 67 2.076 19.579 16.170 513 HH22 ARG 67 2HH2 ARG 67 3.592 20.355 15.726 514 H TRP 68 H TRP 68 -1.357 16.861 11.833 515 HA TRP 68 HA TRP 68 -1.532 15.042 9.477 516 HB2 TRP 68 1HB TRP 68 -3.626 16.946 10.542 517 HB3 TRP 68 2HB TRP 68 -3.638 16.317 8.890 518 HD1 TRP 68 HD1 TRP 68 -3.816 14.975 12.531 519 HE1 TRP 68 HE1 TRP 68 -5.119 12.793 12.585 520 HE3 TRP 68 HE3 TRP 68 -4.493 14.434 7.499 521 HZ2 TRP 68 HZ2 TRP 68 -6.278 11.037 10.677 522 HZ3 TRP 68 HZ3 TRP 68 -5.781 12.466 6.664 523 HH2 TRP 68 HH2 TRP 68 -6.669 10.779 8.267 524 H TYR 69 H TYR 69 -0.747 15.867 7.663 525 HA TYR 69 HA TYR 69 0.094 18.759 7.695 526 HB2 TYR 69 1HB TYR 69 1.340 16.290 6.429 527 HB3 TYR 69 2HB TYR 69 1.845 17.939 6.077 528 HD1 TYR 69 HD1 TYR 69 3.296 19.169 7.574 529 HD2 TYR 69 HD2 TYR 69 1.721 15.348 8.791 530 HE1 TYR 69 HE1 TYR 69 4.940 19.079 9.443 531 HE2 TYR 69 HE2 TYR 69 3.368 15.290 10.664 532 HH TYR 69 HH TYR 69 5.139 16.270 11.646 533 H PHE 70 H PHE 70 -0.290 19.885 5.687 534 HA PHE 70 HA PHE 70 -2.496 18.702 4.140 535 HB2 PHE 70 1HB PHE 70 -2.877 20.923 5.091 536 HB3 PHE 70 2HB PHE 70 -1.423 21.538 4.296 537 HD1 PHE 70 HD1 PHE 70 -4.709 19.888 3.501 538 HD2 PHE 70 HD2 PHE 70 -1.590 22.528 2.172 539 HE1 PHE 70 HE1 PHE 70 -6.045 20.442 1.474 540 HE2 PHE 70 HE2 PHE 70 -2.931 23.110 0.163 541 HZ PHE 70 HZ PHE 70 -5.160 22.067 -0.199 542 H TYR 71 H TYR 71 -2.363 18.211 2.092 543 HA TYR 71 HA TYR 71 0.145 18.817 0.593 544 HB2 TYR 71 1HB TYR 71 -1.059 16.290 1.578 545 HB3 TYR 71 2HB TYR 71 -0.371 16.249 -0.080 546 HD1 TYR 71 HD1 TYR 71 0.271 16.065 3.472 547 HD2 TYR 71 HD2 TYR 71 2.127 16.973 -0.306 548 HE1 TYR 71 HE1 TYR 71 2.521 15.739 4.495 549 HE2 TYR 71 HE2 TYR 71 4.373 16.677 0.745 550 HH TYR 71 HH TYR 71 4.769 15.765 4.176 551 H TYR 72 H TYR 72 -0.271 18.683 -1.741 552 HA TYR 72 HA TYR 72 -3.046 19.509 -2.275 553 HB2 TYR 72 1HB TYR 72 -0.538 19.706 -3.961 554 HB3 TYR 72 2HB TYR 72 -2.126 20.343 -4.398 555 HD1 TYR 72 HD1 TYR 72 0.706 20.697 -1.985 556 HD2 TYR 72 HD2 TYR 72 -2.966 22.407 -3.452 557 HE1 TYR 72 HE1 TYR 72 1.146 22.779 -0.701 558 HE2 TYR 72 HE2 TYR 72 -2.482 24.500 -2.187 559 HH TYR 72 HH TYR 72 -1.153 25.440 -0.508 560 H LEU 73 H LEU 73 -4.154 18.864 -4.254 561 HA LEU 73 HA LEU 73 -4.406 16.053 -4.465 562 HB2 LEU 73 1HB LEU 73 -6.204 17.529 -5.109 563 HB3 LEU 73 2HB LEU 73 -5.209 18.324 -6.308 564 HG LEU 73 HG LEU 73 -5.379 16.516 -7.801 565 HD11 LEU 73 1HD1 LEU 73 -5.272 14.570 -6.228 566 HD12 LEU 73 2HD1 LEU 73 -6.575 14.423 -7.404 567 HD13 LEU 73 3HD1 LEU 73 -6.936 14.929 -5.741 568 HD21 LEU 73 1HD2 LEU 73 -8.062 16.921 -6.642 569 HD22 LEU 73 2HD2 LEU 73 -7.675 16.360 -8.281 570 HD23 LEU 73 3HD2 LEU 73 -7.211 17.995 -7.782 571 H GLY 74 H GLY 74 -3.262 14.547 -5.458 572 HA2 GLY 74 1HA GLY 74 -1.985 13.521 -7.050 573 HA3 GLY 74 2HA GLY 74 -2.164 14.950 -8.059 574 H THR 75 H THR 75 -0.577 15.203 -4.853 575 HA THR 75 HA THR 75 1.913 15.830 -6.338 576 HB THR 75 HB THR 75 2.832 16.254 -4.021 577 HG1 THR 75 HG1 THR 75 1.085 14.822 -3.117 578 HG21 THR 75 1HG2 THR 75 1.410 18.254 -3.582 579 HG22 THR 75 2HG2 THR 75 0.332 17.709 -4.884 580 HG23 THR 75 3HG2 THR 75 2.028 18.113 -5.240 581 H GLY 76 H GLY 76 3.802 14.703 -6.145 582 HA2 GLY 76 1HA GLY 76 5.183 12.946 -5.451 583 HA3 GLY 76 2HA GLY 76 3.838 12.197 -4.589 584 HA PRO 77 HA PRO 77 4.288 10.769 -9.175 585 HB2 PRO 77 1HB PRO 77 6.228 8.838 -9.191 586 HB3 PRO 77 2HB PRO 77 6.558 10.565 -9.412 587 HG2 PRO 77 1HG PRO 77 6.797 8.980 -6.897 588 HG3 PRO 77 2HG PRO 77 8.005 10.053 -7.670 589 HD2 PRO 77 1HD PRO 77 6.433 10.930 -5.681 590 HD3 PRO 77 2HD PRO 77 6.842 11.988 -7.070 591 H GLU 78 H GLU 78 4.804 8.709 -6.354 592 HA GLU 78 HA GLU 78 3.258 6.500 -7.641 593 HB2 GLU 78 1HB GLU 78 5.033 6.560 -5.167 594 HB3 GLU 78 2HB GLU 78 4.203 5.128 -5.793 595 HG2 GLU 78 1HG GLU 78 5.497 5.328 -7.905 596 HG3 GLU 78 2HG GLU 78 6.384 6.694 -7.209 597 H ALA 79 H ALA 79 2.344 9.121 -6.328 598 HA ALA 79 HA ALA 79 1.313 8.514 -3.800 599 HB1 ALA 79 1HB ALA 79 1.528 10.777 -4.600 600 HB2 ALA 79 2HB ALA 79 -0.167 10.478 -4.162 601 HB3 ALA 79 3HB ALA 79 0.325 10.494 -5.876 602 H GLY 80 H GLY 80 -0.121 8.193 -7.034 603 HA2 GLY 80 1HA GLY 80 -1.972 7.052 -7.785 604 HA3 GLY 80 2HA GLY 80 -1.688 5.963 -6.425 605 H LEU 81 H LEU 81 -2.775 9.429 -6.353 606 HA LEU 81 HA LEU 81 -5.283 8.445 -5.180 607 HB2 LEU 81 1HB LEU 81 -3.223 10.378 -4.187 608 HB3 LEU 81 2HB LEU 81 -4.900 10.690 -3.867 609 HG LEU 81 HG LEU 81 -3.358 8.275 -2.946 610 HD11 LEU 81 1HD1 LEU 81 -3.740 9.290 -0.706 611 HD12 LEU 81 2HD1 LEU 81 -4.513 10.685 -1.483 612 HD13 LEU 81 3HD1 LEU 81 -2.791 10.347 -1.769 613 HD21 LEU 81 1HD2 LEU 81 -5.425 7.759 -1.636 614 HD22 LEU 81 2HD2 LEU 81 -5.665 7.606 -3.387 615 HD23 LEU 81 3HD2 LEU 81 -6.277 9.024 -2.512 616 HA PRO 82 HA PRO 82 -6.864 11.665 -7.966 617 HB2 PRO 82 1HB PRO 82 -9.215 10.378 -8.457 618 HB3 PRO 82 2HB PRO 82 -7.710 9.930 -9.326 619 HG2 PRO 82 1HG PRO 82 -9.035 8.596 -6.994 620 HG3 PRO 82 2HG PRO 82 -8.251 7.868 -8.417 621 HD2 PRO 82 1HD PRO 82 -7.090 8.098 -5.975 622 HD3 PRO 82 2HD PRO 82 -6.195 7.942 -7.500 623 H TYR 83 H TYR 83 -8.814 13.033 -7.429 624 HA TYR 83 HA TYR 83 -8.977 13.440 -4.626 625 HB2 TYR 83 1HB TYR 83 -9.418 15.145 -6.399 626 HB3 TYR 83 2HB TYR 83 -10.943 14.331 -6.750 627 HD1 TYR 83 HD1 TYR 83 -12.842 14.496 -5.156 628 HD2 TYR 83 HD2 TYR 83 -9.074 16.391 -4.304 629 HE1 TYR 83 HE1 TYR 83 -13.901 15.792 -3.303 630 HE2 TYR 83 HE2 TYR 83 -10.141 17.690 -2.474 631 HH TYR 83 HH TYR 83 -13.561 17.231 -1.557 632 H GLY 84 H GLY 84 -10.251 12.635 -3.072 633 HA2 GLY 84 1HA GLY 84 -12.221 11.741 -2.175 634 HA3 GLY 84 2HA GLY 84 -12.783 11.317 -3.793 635 H ALA 85 H ALA 85 -9.703 10.109 -3.830 636 HA ALA 85 HA ALA 85 -10.675 7.429 -3.437 637 HB1 ALA 85 1HB ALA 85 -8.947 7.636 -4.978 638 HB2 ALA 85 2HB ALA 85 -8.179 6.876 -3.574 639 HB3 ALA 85 3HB ALA 85 -7.939 8.614 -3.889 640 H ASN 86 H ASN 86 -10.721 6.134 -1.751 641 HA ASN 86 HA ASN 86 -10.049 7.193 0.886 642 HB2 ASN 86 1HB ASN 86 -12.054 5.754 0.445 643 HB3 ASN 86 2HB ASN 86 -10.965 4.411 0.058 644 HD21 ASN 86 1HD2 ASN 86 -11.321 3.462 3.396 645 HD22 ASN 86 2HD2 ASN 86 -11.675 3.104 1.725 646 H LYS 87 H LYS 87 -8.234 6.823 2.043 647 HA LYS 87 HA LYS 87 -6.512 4.509 1.477 648 HB2 LYS 87 1HB LYS 87 -5.870 6.186 -0.235 649 HB3 LYS 87 2HB LYS 87 -5.577 7.356 1.004 650 HG2 LYS 87 1HG LYS 87 -3.596 6.360 1.731 651 HG3 LYS 87 2HG LYS 87 -4.054 4.756 1.106 652 HD2 LYS 87 1HD LYS 87 -3.314 7.140 -0.639 653 HD3 LYS 87 2HD LYS 87 -2.183 5.875 -0.160 654 HE2 LYS 87 1HE LYS 87 -3.570 4.172 -1.328 655 HE3 LYS 87 2HE LYS 87 -4.716 5.436 -1.812 656 HZ1 LYS 87 1HZ LYS 87 -3.216 5.011 -3.621 657 HZ2 LYS 87 2HZ LYS 87 -1.880 5.236 -2.680 658 HZ3 LYS 87 3HZ LYS 87 -2.860 6.508 -3.040 659 H ASP 88 H ASP 88 -4.900 4.323 3.189 660 HA ASP 88 HA ASP 88 -5.864 4.956 5.756 661 HB2 ASP 88 1HB ASP 88 -4.262 3.150 5.343 662 HB3 ASP 88 2HB ASP 88 -3.046 4.324 4.812 663 H GLY 89 H GLY 89 -5.979 6.765 6.823 664 HA2 GLY 89 1HA GLY 89 -5.357 8.771 7.749 665 HA3 GLY 89 2HA GLY 89 -3.727 8.480 7.136 666 H ILE 90 H ILE 90 -6.601 8.752 5.029 667 HA ILE 90 HA ILE 90 -5.527 11.394 4.137 668 HB ILE 90 HB ILE 90 -6.687 9.169 2.356 669 HG12 ILE 90 1HG1 ILE 90 -4.411 8.657 3.137 670 HG13 ILE 90 2HG1 ILE 90 -4.476 8.967 1.414 671 HG21 ILE 90 1HG2 ILE 90 -5.909 10.722 0.487 672 HG22 ILE 90 2HG2 ILE 90 -5.646 11.981 1.718 673 HG23 ILE 90 3HG2 ILE 90 -7.279 11.338 1.429 674 HD11 ILE 90 1HD1 ILE 90 -2.530 9.871 2.701 675 HD12 ILE 90 2HD1 ILE 90 -3.651 11.133 3.301 676 HD13 ILE 90 3HD1 ILE 90 -3.352 10.947 1.555 677 H ILE 91 H ILE 91 -6.879 13.003 4.121 678 HA ILE 91 HA ILE 91 -9.805 12.437 3.751 679 HB ILE 91 HB ILE 91 -10.305 14.451 5.191 680 HG12 ILE 91 1HG1 ILE 91 -7.900 14.236 6.836 681 HG13 ILE 91 2HG1 ILE 91 -7.516 14.760 5.224 682 HG21 ILE 91 1HG2 ILE 91 -10.312 13.283 7.292 683 HG22 ILE 91 2HG2 ILE 91 -9.008 12.183 6.752 684 HG23 ILE 91 3HG2 ILE 91 -10.617 12.100 5.996 685 HD11 ILE 91 1HD1 ILE 91 -7.998 16.663 6.707 686 HD12 ILE 91 2HD1 ILE 91 -9.654 16.053 6.939 687 HD13 ILE 91 3HD1 ILE 91 -9.095 16.580 5.322 688 H TRP 92 H TRP 92 -10.654 13.531 2.066 689 HA TRP 92 HA TRP 92 -8.901 15.469 0.706 690 HB2 TRP 92 1HB TRP 92 -11.491 14.111 -0.075 691 HB3 TRP 92 2HB TRP 92 -10.607 15.252 -1.094 692 HD1 TRP 92 HD1 TRP 92 -10.493 11.676 0.135 693 HE1 TRP 92 HE1 TRP 92 -8.652 10.372 -1.028 694 HE3 TRP 92 HE3 TRP 92 -8.218 15.638 -2.164 695 HZ2 TRP 92 HZ2 TRP 92 -6.506 10.984 -2.765 696 HZ3 TRP 92 HZ3 TRP 92 -6.205 15.197 -3.582 697 HH2 TRP 92 HH2 TRP 92 -5.357 12.855 -3.893 698 H VAL 93 H VAL 93 -9.262 17.572 0.339 699 HA VAL 93 HA VAL 93 -11.890 18.725 1.126 700 HB VAL 93 HB VAL 93 -10.631 20.653 2.218 701 HG11 VAL 93 1HG1 VAL 93 -10.319 19.505 4.384 702 HG12 VAL 93 2HG1 VAL 93 -10.353 17.928 3.568 703 HG13 VAL 93 3HG1 VAL 93 -11.800 18.959 3.577 704 HG21 VAL 93 1HG2 VAL 93 -8.355 20.345 2.988 705 HG22 VAL 93 2HG2 VAL 93 -8.370 20.073 1.237 706 HG23 VAL 93 3HG2 VAL 93 -8.299 18.689 2.350 707 H ALA 94 H ALA 94 -12.381 20.679 0.041 708 HA ALA 94 HA ALA 94 -10.513 21.863 -1.853 709 HB1 ALA 94 1HB ALA 94 -12.979 20.400 -2.960 710 HB2 ALA 94 2HB ALA 94 -11.313 19.808 -3.142 711 HB3 ALA 94 3HB ALA 94 -11.790 21.341 -3.897 712 H THR 95 H THR 95 -11.700 23.701 -2.927 713 HA THR 95 HA THR 95 -14.151 24.533 -1.448 714 HB THR 95 HB THR 95 -12.096 25.723 -0.524 715 HG1 THR 95 HG1 THR 95 -13.082 27.826 -0.854 716 HG21 THR 95 1HG2 THR 95 -10.974 27.387 -1.865 717 HG22 THR 95 2HG2 THR 95 -12.028 27.062 -3.258 718 HG23 THR 95 3HG2 THR 95 -10.855 25.836 -2.718 719 H GLU 96 H GLU 96 -15.177 26.387 -2.807 720 HA GLU 96 HA GLU 96 -15.550 25.339 -5.450 721 HB2 GLU 96 1HB GLU 96 -17.258 26.543 -4.067 722 HB3 GLU 96 2HB GLU 96 -16.386 28.052 -4.367 723 HG2 GLU 96 1HG GLU 96 -16.843 27.933 -6.723 724 HG3 GLU 96 2HG GLU 96 -17.427 26.265 -6.585 725 H GLY 97 H GLY 97 -14.727 25.958 -7.368 726 HA2 GLY 97 1HA GLY 97 -13.666 27.459 -8.874 727 HA3 GLY 97 2HA GLY 97 -12.984 28.351 -7.506 728 H ALA 98 H ALA 98 -12.405 25.397 -6.454 729 HA ALA 98 HA ALA 98 -9.682 25.398 -7.481 730 HB1 ALA 98 1HB ALA 98 -10.349 24.884 -5.114 731 HB2 ALA 98 2HB ALA 98 -9.304 23.677 -5.886 732 HB3 ALA 98 3HB ALA 98 -11.050 23.359 -5.713 733 H LEU 99 H LEU 99 -8.796 23.994 -8.970 734 HA LEU 99 HA LEU 99 -10.755 22.561 -10.637 735 HB2 LEU 99 1HB LEU 99 -7.785 23.074 -10.920 736 HB3 LEU 99 2HB LEU 99 -8.720 22.111 -12.051 737 HG LEU 99 HG LEU 99 -9.042 25.076 -11.531 738 HD11 LEU 99 1HD1 LEU 99 -8.228 25.208 -13.855 739 HD12 LEU 99 2HD1 LEU 99 -8.094 23.429 -13.910 740 HD13 LEU 99 3HD1 LEU 99 -7.059 24.380 -12.813 741 HD21 LEU 99 1HD2 LEU 99 -10.625 25.018 -13.462 742 HD22 LEU 99 2HD2 LEU 99 -11.255 24.183 -12.033 743 HD23 LEU 99 3HD2 LEU 99 -10.604 23.239 -13.400 744 H ASN 100 H ASN 100 -10.915 20.461 -10.970 745 HA ASN 100 HA ASN 100 -9.657 18.689 -8.986 746 HB2 ASN 100 1HB ASN 100 -12.085 18.522 -9.575 747 HB3 ASN 100 2HB ASN 100 -11.622 18.032 -11.211 748 HD21 ASN 100 1HD2 ASN 100 -11.896 14.747 -10.069 749 HD22 ASN 100 2HD2 ASN 100 -12.510 16.001 -11.116 750 H THR 101 H THR 101 -7.523 19.322 -10.031 751 HA THR 101 HA THR 101 -6.816 17.200 -11.982 752 HB THR 101 HB THR 101 -7.285 19.675 -12.975 753 HG1 THR 101 HG1 THR 101 -6.698 18.090 -14.329 754 HG21 THR 101 1HG2 THR 101 -5.274 20.976 -13.211 755 HG22 THR 101 2HG2 THR 101 -4.332 19.772 -12.301 756 HG23 THR 101 3HG2 THR 101 -5.591 20.739 -11.479 757 HA PRO 102 HA PRO 102 -3.456 16.942 -9.127 758 HB2 PRO 102 1HB PRO 102 -1.346 16.170 -10.678 759 HB3 PRO 102 2HB PRO 102 -2.713 15.065 -10.306 760 HG2 PRO 102 1HG PRO 102 -2.232 16.768 -12.740 761 HG3 PRO 102 2HG PRO 102 -2.665 15.031 -12.647 762 HD2 PRO 102 1HD PRO 102 -4.520 16.931 -13.093 763 HD3 PRO 102 2HD PRO 102 -4.880 15.502 -12.065 764 H LYS 103 H LYS 103 -1.615 18.005 -8.313 765 HA LYS 103 HA LYS 103 -0.298 20.019 -10.020 766 HB2 LYS 103 1HB LYS 103 -0.622 21.714 -8.092 767 HB3 LYS 103 2HB LYS 103 -1.843 21.497 -9.319 768 HG2 LYS 103 1HG LYS 103 -2.876 19.789 -7.491 769 HG3 LYS 103 2HG LYS 103 -1.939 20.822 -6.410 770 HD2 LYS 103 1HD LYS 103 -4.097 21.790 -6.536 771 HD3 LYS 103 2HD LYS 103 -3.048 22.786 -7.553 772 HE2 LYS 103 1HE LYS 103 -3.868 21.070 -9.452 773 HE3 LYS 103 2HE LYS 103 -5.238 20.878 -8.357 774 HZ1 LYS 103 1HZ LYS 103 -5.750 23.162 -8.577 775 HZ2 LYS 103 2HZ LYS 103 -5.462 22.623 -10.108 776 HZ3 LYS 103 3HZ LYS 103 -4.316 23.519 -9.319 777 H ASP 104 H ASP 104 0.983 18.014 -9.593 778 HA ASP 104 HA ASP 104 2.379 17.460 -7.245 779 HB2 ASP 104 1HB ASP 104 4.032 16.447 -8.723 780 HB3 ASP 104 2HB ASP 104 2.407 16.137 -9.357 781 H HIS 105 H HIS 105 3.021 19.891 -9.694 782 HA HIS 105 HA HIS 105 5.612 20.682 -8.888 783 HB2 HIS 105 1HB HIS 105 5.193 22.657 -10.260 784 HB3 HIS 105 2HB HIS 105 4.598 21.198 -11.063 785 HD1 HIS 105 HD1 HIS 105 1.984 20.922 -11.344 786 HD2 HIS 105 HD2 HIS 105 3.197 24.522 -9.548 787 HE1 HIS 105 HE1 HIS 105 -0.065 22.461 -11.267 788 H ILE 106 H ILE 106 2.744 21.178 -7.105 789 HA ILE 106 HA ILE 106 3.820 23.674 -5.891 790 HB ILE 106 HB ILE 106 1.220 22.188 -5.279 791 HG12 ILE 106 1HG1 ILE 106 1.756 24.643 -7.002 792 HG13 ILE 106 2HG1 ILE 106 1.331 23.040 -7.601 793 HG21 ILE 106 1HG2 ILE 106 0.578 24.277 -4.102 794 HG22 ILE 106 2HG2 ILE 106 2.136 25.024 -4.529 795 HG23 ILE 106 3HG2 ILE 106 2.074 23.643 -3.410 796 HD11 ILE 106 1HD1 ILE 106 -0.642 24.237 -7.719 797 HD12 ILE 106 2HD1 ILE 106 -0.401 24.991 -6.126 798 HD13 ILE 106 3HD1 ILE 106 -0.817 23.262 -6.241 799 H GLY 107 H GLY 107 2.962 20.283 -5.070 800 HA2 GLY 107 1HA GLY 107 3.791 20.592 -2.321 801 HA3 GLY 107 2HA GLY 107 3.400 19.083 -3.142 802 H THR 108 H THR 108 5.747 20.495 -5.013 803 HA THR 108 HA THR 108 7.779 18.664 -3.955 804 HB THR 108 HB THR 108 7.348 18.882 -6.410 805 HG1 THR 108 HG1 THR 108 9.909 19.650 -5.442 806 HG21 THR 108 1HG2 THR 108 8.663 21.617 -6.184 807 HG22 THR 108 2HG2 THR 108 6.922 21.365 -6.424 808 HG23 THR 108 3HG2 THR 108 8.073 20.818 -7.655 809 H ARG 109 H ARG 109 6.920 21.188 -2.495 810 HA ARG 109 HA ARG 109 8.888 23.190 -2.455 811 HB2 ARG 109 1HB ARG 109 6.704 23.082 -1.177 812 HB3 ARG 109 2HB ARG 109 7.469 21.934 -0.079 813 HG2 ARG 109 1HG ARG 109 9.175 23.751 0.474 814 HG3 ARG 109 2HG ARG 109 8.165 24.856 -0.479 815 HD2 ARG 109 1HD ARG 109 7.467 25.086 1.773 816 HD3 ARG 109 2HD ARG 109 6.236 24.164 0.945 817 HE ARG 109 HE ARG 109 6.656 22.327 2.260 818 HH11 ARG 109 1HH1 ARG 109 7.461 21.274 3.997 819 HH12 ARG 109 2HH1 ARG 109 8.897 21.844 4.816 820 HH21 ARG 109 1HH2 ARG 109 9.264 24.637 2.843 821 HH22 ARG 109 2HH2 ARG 109 9.906 23.706 4.168 822 H ASN 110 H ASN 110 11.001 23.282 -1.760 823 HA ASN 110 HA ASN 110 12.179 20.764 -0.775 824 HB2 ASN 110 1HB ASN 110 13.392 23.465 -1.445 825 HB3 ASN 110 2HB ASN 110 14.321 22.034 -0.988 826 HD21 ASN 110 1HD2 ASN 110 13.569 20.363 -4.112 827 HD22 ASN 110 2HD2 ASN 110 13.623 20.023 -2.401 828 HA PRO 111 HA PRO 111 11.535 22.617 3.244 829 HB2 PRO 111 1HB PRO 111 12.419 20.611 4.851 830 HB3 PRO 111 2HB PRO 111 10.857 20.506 3.975 831 HG2 PRO 111 1HG PRO 111 13.535 19.370 3.195 832 HG3 PRO 111 2HG PRO 111 11.941 18.553 3.265 833 HD2 PRO 111 1HD PRO 111 12.952 19.514 0.951 834 HD3 PRO 111 2HD PRO 111 11.193 19.583 1.309 835 H ALA 112 H ALA 112 14.500 21.566 1.840 836 HA ALA 112 HA ALA 112 16.245 22.562 3.943 837 HB1 ALA 112 1HB ALA 112 16.964 20.751 2.418 838 HB2 ALA 112 2HB ALA 112 18.015 22.175 2.238 839 HB3 ALA 112 3HB ALA 112 16.767 21.836 1.016 840 H ASN 113 H ASN 113 14.576 23.868 1.156 841 HA ASN 113 HA ASN 113 16.317 26.277 1.151 842 HB2 ASN 113 1HB ASN 113 14.223 25.311 -0.829 843 HB3 ASN 113 2HB ASN 113 15.188 26.772 -1.007 844 HD21 ASN 113 1HD2 ASN 113 16.691 23.830 -2.849 845 HD22 ASN 113 2HD2 ASN 113 15.052 24.426 -2.754 846 H ASN 114 H ASN 114 13.040 25.248 1.957 847 HA ASN 114 HA ASN 114 12.355 28.083 2.491 848 HB2 ASN 114 1HB ASN 114 11.045 27.480 0.621 849 HB3 ASN 114 2HB ASN 114 10.825 25.834 1.226 850 HD21 ASN 114 1HD2 ASN 114 8.508 28.753 2.669 851 HD22 ASN 114 2HD2 ASN 114 9.965 29.098 1.737 852 H ALA 115 H ALA 115 11.199 28.536 4.255 853 HA ALA 115 HA ALA 115 10.880 26.424 6.311 854 HB1 ALA 115 1HB ALA 115 10.607 29.460 6.488 855 HB2 ALA 115 2HB ALA 115 12.032 28.514 6.991 856 HB3 ALA 115 3HB ALA 115 10.484 28.320 7.848 857 H ALA 116 H ALA 116 8.934 25.655 6.758 858 HA ALA 116 HA ALA 116 6.679 26.129 5.108 859 HB1 ALA 116 1HB ALA 116 6.844 24.710 7.806 860 HB2 ALA 116 2HB ALA 116 7.129 23.959 6.215 861 HB3 ALA 116 3HB ALA 116 5.515 24.571 6.632 862 H ILE 117 H ILE 117 4.624 26.902 5.593 863 HA ILE 117 HA ILE 117 4.664 29.340 7.269 864 HB ILE 117 HB ILE 117 2.517 28.205 5.421 865 HG12 ILE 117 1HG1 ILE 117 3.976 30.565 4.473 866 HG13 ILE 117 2HG1 ILE 117 5.012 29.149 4.635 867 HG21 ILE 117 1HG2 ILE 117 2.863 31.013 6.583 868 HG22 ILE 117 2HG2 ILE 117 1.543 29.869 6.935 869 HG23 ILE 117 3HG2 ILE 117 1.686 30.579 5.320 870 HD11 ILE 117 1HD1 ILE 117 4.137 29.155 2.424 871 HD12 ILE 117 2HD1 ILE 117 2.469 29.374 3.008 872 HD13 ILE 117 3HD1 ILE 117 3.330 27.840 3.301 873 H VAL 118 H VAL 118 3.281 29.663 9.074 874 HA VAL 118 HA VAL 118 2.326 27.393 10.549 875 HB VAL 118 HB VAL 118 1.524 30.349 10.679 876 HG11 VAL 118 1HG1 VAL 118 0.974 28.087 12.640 877 HG12 VAL 118 2HG1 VAL 118 -0.230 29.004 11.705 878 HG13 VAL 118 3HG1 VAL 118 0.711 29.813 12.971 879 HG21 VAL 118 1HG2 VAL 118 3.903 30.012 11.167 880 HG22 VAL 118 2HG2 VAL 118 3.515 28.706 12.309 881 HG23 VAL 118 3HG2 VAL 118 3.041 30.383 12.672 882 H LEU 119 H LEU 119 0.574 26.158 10.204 883 HA LEU 119 HA LEU 119 -1.164 26.700 7.977 884 HB2 LEU 119 1HB LEU 119 -0.460 24.457 8.952 885 HB3 LEU 119 2HB LEU 119 -1.644 24.714 10.224 886 HG LEU 119 HG LEU 119 -2.498 24.838 7.319 887 HD11 LEU 119 1HD1 LEU 119 -2.860 22.434 7.308 888 HD12 LEU 119 2HD1 LEU 119 -2.161 22.287 8.940 889 HD13 LEU 119 3HD1 LEU 119 -1.145 22.784 7.579 890 HD21 LEU 119 1HD2 LEU 119 -3.837 24.069 9.944 891 HD22 LEU 119 2HD2 LEU 119 -4.578 23.765 8.359 892 HD23 LEU 119 3HD2 LEU 119 -4.239 25.424 8.874 893 H GLN 120 H GLN 120 -2.998 27.784 7.862 894 HA GLN 120 HA GLN 120 -4.483 28.520 10.349 895 HB2 GLN 120 1HB GLN 120 -3.680 30.306 8.035 896 HB3 GLN 120 2HB GLN 120 -4.857 30.754 9.276 897 HG2 GLN 120 1HG GLN 120 -3.245 30.968 10.924 898 HG3 GLN 120 2HG GLN 120 -2.106 29.921 10.083 899 HE21 GLN 120 1HE2 GLN 120 -0.628 32.462 8.201 900 HE22 GLN 120 2HE2 GLN 120 -0.753 30.740 8.514 901 H LEU 121 H LEU 121 -6.738 28.975 9.864 902 HA LEU 121 HA LEU 121 -7.625 27.700 7.307 903 HB2 LEU 121 1HB LEU 121 -8.741 27.746 10.105 904 HB3 LEU 121 2HB LEU 121 -9.858 27.666 8.757 905 HG LEU 121 HG LEU 121 -7.684 25.629 9.298 906 HD11 LEU 121 1HD1 LEU 121 -9.657 24.218 9.974 907 HD12 LEU 121 2HD1 LEU 121 -10.676 25.668 9.857 908 HD13 LEU 121 3HD1 LEU 121 -9.362 25.601 11.050 909 HD21 LEU 121 1HD2 LEU 121 -9.024 24.233 7.679 910 HD22 LEU 121 2HD2 LEU 121 -8.285 25.651 6.920 911 HD23 LEU 121 3HD2 LEU 121 -10.018 25.663 7.313 912 HA PRO 122 HA PRO 122 -9.287 31.640 6.373 913 HB2 PRO 122 1HB PRO 122 -11.226 31.054 4.567 914 HB3 PRO 122 2HB PRO 122 -9.472 30.809 4.197 915 HG2 PRO 122 1HG PRO 122 -11.515 28.818 5.160 916 HG3 PRO 122 2HG PRO 122 -10.404 28.703 3.757 917 HD2 PRO 122 1HD PRO 122 -9.820 27.578 6.134 918 HD3 PRO 122 2HD PRO 122 -8.545 28.327 5.113 919 H GLN 123 H GLN 123 -11.302 32.923 6.389 920 HA GLN 123 HA GLN 123 -12.722 32.648 8.793 921 HB2 GLN 123 1HB GLN 123 -12.468 34.718 7.390 922 HB3 GLN 123 2HB GLN 123 -13.627 34.040 6.240 923 HG2 GLN 123 1HG GLN 123 -15.373 34.044 7.982 924 HG3 GLN 123 2HG GLN 123 -14.212 34.700 9.149 925 HE21 GLN 123 1HE2 GLN 123 -16.234 37.498 7.784 926 HE22 GLN 123 2HE2 GLN 123 -16.574 36.019 8.647 927 H GLY 124 H GLY 124 -14.518 31.579 9.403 928 HA2 GLY 124 1HA GLY 124 -16.648 30.584 8.995 929 HA3 GLY 124 2HA GLY 124 -16.187 30.290 7.315 930 H THR 125 H THR 125 -13.455 29.189 8.189 931 HA THR 125 HA THR 125 -14.581 26.537 8.956 932 HB THR 125 HB THR 125 -11.765 27.005 7.960 933 HG1 THR 125 HG1 THR 125 -13.241 27.856 6.433 934 HG21 THR 125 1HG2 THR 125 -12.403 24.767 8.956 935 HG22 THR 125 2HG2 THR 125 -11.996 24.673 7.237 936 HG23 THR 125 3HG2 THR 125 -13.691 24.639 7.746 937 H THR 126 H THR 126 -14.248 25.619 10.821 938 HA THR 126 HA THR 126 -12.110 26.692 12.602 939 HB THR 126 HB THR 126 -13.701 25.757 14.437 940 HG1 THR 126 HG1 THR 126 -15.918 25.862 13.726 941 HG21 THR 126 1HG2 THR 126 -14.938 27.857 14.541 942 HG22 THR 126 2HG2 THR 126 -14.560 28.192 12.834 943 HG23 THR 126 3HG2 THR 126 -13.256 28.158 14.049 944 H LEU 127 H LEU 127 -10.975 25.191 13.820 945 HA LEU 127 HA LEU 127 -10.687 22.582 12.596 946 HB2 LEU 127 1HB LEU 127 -9.661 23.632 15.236 947 HB3 LEU 127 2HB LEU 127 -9.149 22.141 14.501 948 HG LEU 127 HG LEU 127 -8.659 24.871 13.282 949 HD11 LEU 127 1HD1 LEU 127 -6.339 24.577 14.042 950 HD12 LEU 127 2HD1 LEU 127 -6.783 23.051 14.845 951 HD13 LEU 127 3HD1 LEU 127 -7.458 24.592 15.423 952 HD21 LEU 127 1HD2 LEU 127 -7.093 23.658 11.839 953 HD22 LEU 127 2HD2 LEU 127 -8.720 22.986 11.669 954 HD23 LEU 127 3HD2 LEU 127 -7.509 22.123 12.639 955 HA PRO 128 HA PRO 128 -13.688 20.572 15.108 956 HB2 PRO 128 1HB PRO 128 -12.835 17.979 15.149 957 HB3 PRO 128 2HB PRO 128 -13.470 18.763 13.671 958 HG2 PRO 128 1HG PRO 128 -10.656 18.273 14.501 959 HG3 PRO 128 2HG PRO 128 -11.419 18.050 12.904 960 HD2 PRO 128 1HD PRO 128 -9.894 20.235 13.623 961 HD3 PRO 128 2HD PRO 128 -11.170 20.307 12.378 962 H LYS 129 H LYS 129 -13.921 19.247 17.171 963 HA LYS 129 HA LYS 129 -12.468 20.557 19.207 964 HB2 LYS 129 1HB LYS 129 -14.756 19.497 19.387 965 HB3 LYS 129 2HB LYS 129 -13.970 17.916 19.401 966 HG2 LYS 129 1HG LYS 129 -14.487 18.453 21.654 967 HG3 LYS 129 2HG LYS 129 -12.736 18.639 21.486 968 HD2 LYS 129 1HD LYS 129 -13.031 21.103 21.264 969 HD3 LYS 129 2HD LYS 129 -14.788 20.896 21.438 970 HE2 LYS 129 1HE LYS 129 -14.439 19.907 23.687 971 HE3 LYS 129 2HE LYS 129 -12.686 20.134 23.512 972 HZ1 LYS 129 1HZ LYS 129 -13.693 21.932 24.780 973 HZ2 LYS 129 2HZ LYS 129 -14.702 22.315 23.534 974 HZ3 LYS 129 3HZ LYS 129 -13.074 22.526 23.372 975 H GLY 130 H GLY 130 -10.598 20.200 20.187 976 HA2 GLY 130 1HA GLY 130 -8.943 18.857 21.198 977 HA3 GLY 130 2HA GLY 130 -9.405 17.504 20.165 978 H PHE 131 H PHE 131 -9.240 19.842 17.921 979 HA PHE 131 HA PHE 131 -6.461 19.185 17.321 980 HB2 PHE 131 1HB PHE 131 -8.889 19.817 15.797 981 HB3 PHE 131 2HB PHE 131 -7.462 20.694 15.246 982 HD1 PHE 131 HD1 PHE 131 -5.475 19.505 14.436 983 HD2 PHE 131 HD2 PHE 131 -9.067 17.427 15.516 984 HE1 PHE 131 HE1 PHE 131 -4.678 17.491 13.195 985 HE2 PHE 131 HE2 PHE 131 -8.302 15.439 14.265 986 HZ PHE 131 HZ PHE 131 -6.103 15.465 13.103 987 H TYR 132 H TYR 132 -4.984 20.573 17.000 988 HA TYR 132 HA TYR 132 -5.510 23.479 17.125 989 HB2 TYR 132 1HB TYR 132 -3.719 23.875 18.739 990 HB3 TYR 132 2HB TYR 132 -5.019 22.917 19.442 991 HD1 TYR 132 HD1 TYR 132 -1.458 23.032 18.632 992 HD2 TYR 132 HD2 TYR 132 -4.666 20.411 19.826 993 HE1 TYR 132 HE1 TYR 132 0.199 21.364 19.466 994 HE2 TYR 132 HE2 TYR 132 -3.002 18.759 20.651 995 HH TYR 132 HH TYR 132 -0.806 18.301 21.008 996 H ALA 133 H ALA 133 -3.489 24.680 16.476 997 HA ALA 133 HA ALA 133 -2.173 23.157 14.291 998 HB1 ALA 133 1HB ALA 133 -3.615 24.961 13.493 999 HB2 ALA 133 2HB ALA 133 -1.913 25.396 13.212 1000 HB3 ALA 133 3HB ALA 133 -2.808 26.120 14.570 1001 H GLU 134 H GLU 134 0.019 23.595 13.794 1002 HA GLU 134 HA GLU 134 1.623 24.077 16.228 1003 HB2 GLU 134 1HB GLU 134 2.040 22.101 14.889 1004 HB3 GLU 134 2HB GLU 134 2.214 23.071 13.435 1005 HG2 GLU 134 1HG GLU 134 4.292 24.010 14.242 1006 HG3 GLU 134 2HG GLU 134 4.089 23.173 15.797 1007 H GLY 135 H GLY 135 2.810 25.856 16.592 1008 HA2 GLY 135 1HA GLY 135 4.216 27.650 15.938 1009 HA3 GLY 135 2HA GLY 135 3.478 27.647 14.333 1010 H SER 136 H SER 136 0.708 27.622 15.337 1011 HA SER 136 HA SER 136 0.383 30.438 15.681 1012 HB2 SER 136 1HB SER 136 -1.974 28.872 16.275 1013 HB3 SER 136 2HB SER 136 -1.614 29.876 14.850 1014 HG SER 136 HG SER 136 -1.605 27.993 13.888 1015 H ARG 137 H ARG 137 0.175 31.570 17.442 1016 HA ARG 137 HA ARG 137 -0.658 30.334 19.991 1017 HB2 ARG 137 1HB ARG 137 1.906 30.366 19.791 1018 HB3 ARG 137 2HB ARG 137 1.797 32.126 19.718 1019 HG2 ARG 137 1HG ARG 137 2.347 31.575 21.957 1020 HG3 ARG 137 2HG ARG 137 0.642 32.037 21.963 1021 HD2 ARG 137 1HD ARG 137 0.013 29.622 21.883 1022 HD3 ARG 137 2HD ARG 137 1.732 29.197 21.955 1023 HE ARG 137 HE ARG 137 1.185 30.874 24.176 1024 HH11 ARG 137 1HH1 ARG 137 0.266 27.648 23.057 1025 HH12 ARG 137 2HH1 ARG 137 -0.009 27.069 24.677 1026 HH21 ARG 137 1HH2 ARG 137 0.803 30.078 26.197 1027 HH22 ARG 137 2HH2 ARG 137 0.289 28.417 26.421 1028 H GLY 138 H GLY 138 -1.571 32.007 21.382 1029 HA2 GLY 138 1HA GLY 138 -2.059 34.619 20.007 1030 HA3 GLY 138 2HA GLY 138 -3.380 33.701 20.763 1031 H GLY 139 H GLY 139 -3.050 33.114 23.106 1032 HA2 GLY 139 1HA GLY 139 -2.023 35.424 24.594 1033 HA3 GLY 139 2HA GLY 139 -2.783 33.954 25.275 1034 H SER 140 H SER 140 -0.363 34.962 26.379 1035 HA SER 140 HA SER 140 1.995 33.893 25.221 1036 HB2 SER 140 1HB SER 140 1.957 35.537 27.100 1037 HB3 SER 140 2HB SER 140 1.369 34.248 28.179 1038 HG SER 140 HG SER 140 3.355 33.102 27.256 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 28.339 16.240 -2.470 2 H2 GLY 1 2H GLY 1 27.426 15.150 -1.632 3 H3 GLY 1 3H GLY 1 27.811 16.599 -0.948 4 HA2 GLY 1 1HA GLY 1 26.514 17.784 -2.578 5 HA3 GLY 1 2HA GLY 1 26.100 16.221 -3.310 6 H ALA 2 H ALA 2 23.860 17.415 -2.724 7 HA ALA 2 HA ALA 2 23.079 17.191 0.056 8 HB1 ALA 2 1HB ALA 2 21.924 18.715 -1.549 9 HB2 ALA 2 2HB ALA 2 20.791 17.549 -0.832 10 HB3 ALA 2 3HB ALA 2 21.382 17.302 -2.491 11 H MET 3 H MET 3 22.218 15.436 1.103 12 HA MET 3 HA MET 3 21.589 12.985 -0.479 13 HB2 MET 3 1HB MET 3 23.378 13.139 1.982 14 HB3 MET 3 2HB MET 3 22.768 11.641 1.264 15 HG2 MET 3 1HG MET 3 23.978 12.132 -0.825 16 HG3 MET 3 2HG MET 3 24.567 13.649 -0.132 17 HE1 MET 3 1HE MET 3 25.999 9.386 1.024 18 HE2 MET 3 2HE MET 3 24.967 9.787 -0.369 19 HE3 MET 3 3HE MET 3 24.305 9.864 1.282 20 H GLY 4 H GLY 4 19.589 14.537 0.211 21 HA2 GLY 4 1HA GLY 4 18.678 13.863 2.944 22 HA3 GLY 4 2HA GLY 4 17.924 15.010 1.832 23 H LEU 5 H LEU 5 16.460 14.278 0.250 24 HA LEU 5 HA LEU 5 15.638 11.423 0.480 25 HB2 LEU 5 1HB LEU 5 13.936 13.933 0.323 26 HB3 LEU 5 2HB LEU 5 13.313 12.310 0.124 27 HG LEU 5 HG LEU 5 14.589 13.349 2.670 28 HD11 LEU 5 1HD1 LEU 5 12.271 13.442 3.524 29 HD12 LEU 5 2HD1 LEU 5 11.659 12.996 1.913 30 HD13 LEU 5 3HD1 LEU 5 12.511 14.543 2.153 31 HD21 LEU 5 1HD2 LEU 5 13.517 11.342 3.687 32 HD22 LEU 5 2HD2 LEU 5 14.756 10.916 2.494 33 HD23 LEU 5 3HD2 LEU 5 13.030 10.798 2.064 34 HA PRO 6 HA PRO 6 16.117 11.885 -3.880 35 HB2 PRO 6 1HB PRO 6 14.766 9.757 -4.889 36 HB3 PRO 6 2HB PRO 6 16.262 9.554 -3.920 37 HG2 PRO 6 1HG PRO 6 13.391 9.358 -3.025 38 HG3 PRO 6 2HG PRO 6 14.734 8.201 -2.759 39 HD2 PRO 6 1HD PRO 6 14.003 10.032 -0.882 40 HD3 PRO 6 2HD PRO 6 15.717 9.539 -1.112 41 H ASN 7 H ASN 7 12.911 11.810 -2.481 42 HA ASN 7 HA ASN 7 11.750 13.006 -4.962 43 HB2 ASN 7 1HB ASN 7 9.570 12.617 -3.477 44 HB3 ASN 7 2HB ASN 7 10.276 11.324 -4.453 45 HD21 ASN 7 1HD2 ASN 7 10.300 9.251 -1.679 46 HD22 ASN 7 2HD2 ASN 7 9.846 9.524 -3.342 47 H ASN 8 H ASN 8 11.895 13.379 -1.426 48 HA ASN 8 HA ASN 8 11.871 15.197 -0.061 49 HB2 ASN 8 1HB ASN 8 13.818 15.642 -1.746 50 HB3 ASN 8 2HB ASN 8 12.773 16.938 -2.343 51 HD21 ASN 8 1HD2 ASN 8 13.997 19.055 0.090 52 HD22 ASN 8 2HD2 ASN 8 13.487 18.797 -1.561 53 H THR 9 H THR 9 9.399 14.659 -1.462 54 HA THR 9 HA THR 9 8.242 17.265 -2.125 55 HB THR 9 HB THR 9 6.161 15.888 -2.487 56 HG1 THR 9 HG1 THR 9 6.730 14.218 -0.995 57 HG21 THR 9 1HG2 THR 9 6.999 14.716 -4.472 58 HG22 THR 9 2HG2 THR 9 8.662 14.794 -3.852 59 HG23 THR 9 3HG2 THR 9 7.812 16.286 -4.322 60 H ALA 10 H ALA 10 8.430 18.374 -0.208 61 HA ALA 10 HA ALA 10 7.269 17.214 2.221 62 HB1 ALA 10 1HB ALA 10 9.510 18.339 2.160 63 HB2 ALA 10 2HB ALA 10 8.373 19.037 3.344 64 HB3 ALA 10 3HB ALA 10 8.677 19.871 1.798 65 H SER 11 H SER 11 5.564 17.967 3.277 66 HA SER 11 HA SER 11 3.401 19.180 1.934 67 HB2 SER 11 1HB SER 11 3.157 19.693 4.709 68 HB3 SER 11 2HB SER 11 2.482 18.322 3.799 69 HG SER 11 HG SER 11 3.969 17.838 5.627 70 H TRP 12 H TRP 12 2.619 21.264 1.835 71 HA TRP 12 HA TRP 12 4.565 23.361 2.182 72 HB2 TRP 12 1HB TRP 12 1.835 23.120 1.065 73 HB3 TRP 12 2HB TRP 12 2.326 24.723 1.644 74 HD1 TRP 12 HD1 TRP 12 3.004 22.260 -1.148 75 HE1 TRP 12 HE1 TRP 12 4.595 23.249 -2.872 76 HE3 TRP 12 HE3 TRP 12 4.417 26.388 1.509 77 HZ2 TRP 12 HZ2 TRP 12 6.305 25.517 -3.058 78 HZ3 TRP 12 HZ3 TRP 12 6.071 27.964 0.487 79 HH2 TRP 12 HH2 TRP 12 7.007 27.516 -1.782 80 H PHE 13 H PHE 13 2.132 22.123 4.314 81 HA PHE 13 HA PHE 13 2.341 24.631 5.928 82 HB2 PHE 13 1HB PHE 13 0.026 22.687 5.649 83 HB3 PHE 13 2HB PHE 13 0.094 24.020 6.802 84 HD1 PHE 13 HD1 PHE 13 -0.267 23.144 3.232 85 HD2 PHE 13 HD2 PHE 13 -0.184 26.317 6.128 86 HE1 PHE 13 HE1 PHE 13 -1.231 24.700 1.545 87 HE2 PHE 13 HE2 PHE 13 -1.110 27.884 4.439 88 HZ PHE 13 HZ PHE 13 -1.615 27.086 2.137 89 H THR 14 H THR 14 2.187 24.448 8.172 90 HA THR 14 HA THR 14 3.784 22.313 9.260 91 HB THR 14 HB THR 14 3.314 23.380 11.442 92 HG1 THR 14 HG1 THR 14 1.894 25.020 11.626 93 HG21 THR 14 1HG2 THR 14 5.104 24.323 10.080 94 HG22 THR 14 2HG2 THR 14 4.266 25.596 10.990 95 HG23 THR 14 3HG2 THR 14 3.942 25.389 9.257 96 H ALA 15 H ALA 15 3.128 21.053 11.179 97 HA ALA 15 HA ALA 15 0.832 19.519 10.332 98 HB1 ALA 15 1HB ALA 15 3.225 18.912 11.425 99 HB2 ALA 15 2HB ALA 15 1.812 17.837 11.423 100 HB3 ALA 15 3HB ALA 15 2.190 18.814 12.866 101 H LEU 16 H LEU 16 -1.204 19.556 11.013 102 HA LEU 16 HA LEU 16 -2.046 20.961 13.393 103 HB2 LEU 16 1HB LEU 16 -3.135 19.381 11.151 104 HB3 LEU 16 2HB LEU 16 -3.974 19.123 12.666 105 HG LEU 16 HG LEU 16 -4.855 21.152 12.690 106 HD11 LEU 16 1HD1 LEU 16 -4.122 23.167 11.482 107 HD12 LEU 16 2HD1 LEU 16 -2.617 22.291 11.113 108 HD13 LEU 16 3HD1 LEU 16 -3.082 22.633 12.786 109 HD21 LEU 16 1HD2 LEU 16 -5.619 21.703 10.429 110 HD22 LEU 16 2HD2 LEU 16 -5.721 19.988 10.880 111 HD23 LEU 16 3HD2 LEU 16 -4.399 20.554 9.841 112 H THR 17 H THR 17 -1.890 20.205 15.370 113 HA THR 17 HA THR 17 -0.990 17.412 15.730 114 HB THR 17 HB THR 17 -1.412 19.609 17.795 115 HG1 THR 17 HG1 THR 17 0.188 20.079 16.181 116 HG21 THR 17 1HG2 THR 17 0.253 18.201 19.070 117 HG22 THR 17 2HG2 THR 17 0.024 16.925 17.859 118 HG23 THR 17 3HG2 THR 17 -1.344 17.451 18.874 119 H GLN 18 H GLN 18 -2.275 15.779 16.290 120 HA GLN 18 HA GLN 18 -5.124 16.351 16.793 121 HB2 GLN 18 1HB GLN 18 -4.314 14.582 15.201 122 HB3 GLN 18 2HB GLN 18 -3.617 13.712 16.561 123 HG2 GLN 18 1HG GLN 18 -6.539 14.388 16.718 124 HG3 GLN 18 2HG GLN 18 -6.053 13.173 15.535 125 HE21 GLN 18 1HE2 GLN 18 -6.809 11.056 18.297 126 HE22 GLN 18 2HE2 GLN 18 -7.512 11.862 16.901 127 H HIS 19 H HIS 19 -6.080 16.240 18.744 128 HA HIS 19 HA HIS 19 -4.823 14.526 20.826 129 HB2 HIS 19 1HB HIS 19 -4.187 16.904 21.286 130 HB3 HIS 19 2HB HIS 19 -5.898 17.341 21.293 131 HD1 HIS 19 HD1 HIS 19 -3.229 15.801 23.420 132 HD2 HIS 19 HD2 HIS 19 -7.355 16.365 23.523 133 HE1 HIS 19 HE1 HIS 19 -3.974 15.340 25.794 134 H GLY 20 H GLY 20 -6.432 12.927 20.604 135 HA2 GLY 20 1HA GLY 20 -8.859 13.188 21.893 136 HA3 GLY 20 2HA GLY 20 -9.201 13.737 20.247 137 H LYS 21 H LYS 21 -10.716 11.942 20.224 138 HA LYS 21 HA LYS 21 -9.405 9.280 19.852 139 HB2 LYS 21 1HB LYS 21 -12.279 10.076 20.423 140 HB3 LYS 21 2HB LYS 21 -11.777 8.440 19.990 141 HG2 LYS 21 1HG LYS 21 -10.216 8.465 21.968 142 HG3 LYS 21 2HG LYS 21 -10.946 10.011 22.452 143 HD2 LYS 21 1HD LYS 21 -13.164 8.916 22.568 144 HD3 LYS 21 2HD LYS 21 -12.422 7.375 22.084 145 HE2 LYS 21 1HE LYS 21 -10.963 7.469 24.102 146 HE3 LYS 21 2HE LYS 21 -11.776 8.965 24.601 147 HZ1 LYS 21 1HZ LYS 21 -12.717 7.030 25.703 148 HZ2 LYS 21 2HZ LYS 21 -13.092 6.327 24.259 149 HZ3 LYS 21 3HZ LYS 21 -13.853 7.715 24.723 150 H GLU 22 H GLU 22 -11.157 11.782 18.164 151 HA GLU 22 HA GLU 22 -11.754 10.046 15.869 152 HB2 GLU 22 1HB GLU 22 -11.966 13.051 16.209 153 HB3 GLU 22 2HB GLU 22 -12.590 12.127 14.846 154 HG2 GLU 22 1HG GLU 22 -14.160 10.958 16.315 155 HG3 GLU 22 2HG GLU 22 -13.507 11.808 17.726 156 H ASP 23 H ASP 23 -10.762 10.443 13.775 157 HA ASP 23 HA ASP 23 -7.910 10.892 14.117 158 HB2 ASP 23 1HB ASP 23 -9.328 9.236 12.515 159 HB3 ASP 23 2HB ASP 23 -9.075 10.551 11.373 160 H LEU 24 H LEU 24 -10.241 12.293 11.774 161 HA LEU 24 HA LEU 24 -9.989 15.013 12.371 162 HB2 LEU 24 1HB LEU 24 -7.617 14.891 11.616 163 HB3 LEU 24 2HB LEU 24 -8.135 14.167 10.102 164 HG LEU 24 HG LEU 24 -9.223 16.266 9.448 165 HD11 LEU 24 1HD1 LEU 24 -9.832 17.175 11.652 166 HD12 LEU 24 2HD1 LEU 24 -8.877 18.336 10.723 167 HD13 LEU 24 3HD1 LEU 24 -8.116 17.412 12.039 168 HD21 LEU 24 1HD2 LEU 24 -7.201 17.598 9.121 169 HD22 LEU 24 2HD2 LEU 24 -6.869 15.871 8.879 170 HD23 LEU 24 3HD2 LEU 24 -6.367 16.668 10.389 171 H LYS 25 H LYS 25 -11.499 16.133 11.012 172 HA LYS 25 HA LYS 25 -12.212 15.002 8.425 173 HB2 LYS 25 1HB LYS 25 -13.547 13.674 10.172 174 HB3 LYS 25 2HB LYS 25 -14.366 15.177 10.569 175 HG2 LYS 25 1HG LYS 25 -15.741 13.825 9.068 176 HG3 LYS 25 2HG LYS 25 -15.265 15.325 8.272 177 HD2 LYS 25 1HD LYS 25 -15.135 13.411 6.719 178 HD3 LYS 25 2HD LYS 25 -13.547 14.140 6.961 179 HE2 LYS 25 1HE LYS 25 -13.379 11.691 6.942 180 HE3 LYS 25 2HE LYS 25 -12.922 12.333 8.527 181 HZ1 LYS 25 1HZ LYS 25 -15.121 11.736 9.340 182 HZ2 LYS 25 2HZ LYS 25 -14.357 10.408 8.729 183 HZ3 LYS 25 3HZ LYS 25 -15.554 11.142 7.862 184 H PHE 26 H PHE 26 -13.060 16.592 7.099 185 HA PHE 26 HA PHE 26 -13.961 19.121 8.406 186 HB2 PHE 26 1HB PHE 26 -12.172 18.761 5.977 187 HB3 PHE 26 2HB PHE 26 -13.054 20.254 6.307 188 HD1 PHE 26 HD1 PHE 26 -9.862 19.128 6.411 189 HD2 PHE 26 HD2 PHE 26 -12.798 20.761 9.122 190 HE1 PHE 26 HE1 PHE 26 -8.057 19.884 7.942 191 HE2 PHE 26 HE2 PHE 26 -10.987 21.567 10.607 192 HZ PHE 26 HZ PHE 26 -8.605 21.113 10.030 193 HA PRO 27 HA PRO 27 -17.484 18.266 5.931 194 HB2 PRO 27 1HB PRO 27 -18.633 20.732 5.606 195 HB3 PRO 27 2HB PRO 27 -18.580 19.887 7.185 196 HG2 PRO 27 1HG PRO 27 -16.864 22.030 6.129 197 HG3 PRO 27 2HG PRO 27 -17.615 21.865 7.728 198 HD2 PRO 27 1HD PRO 27 -14.997 21.249 7.216 199 HD3 PRO 27 2HD PRO 27 -15.973 20.423 8.480 200 H ARG 28 H ARG 28 -18.531 18.610 3.831 201 HA ARG 28 HA ARG 28 -16.619 18.689 1.704 202 HB2 ARG 28 1HB ARG 28 -18.746 17.395 1.686 203 HB3 ARG 28 2HB ARG 28 -19.654 18.906 1.662 204 HG2 ARG 28 1HG ARG 28 -19.712 18.082 -0.547 205 HG3 ARG 28 2HG ARG 28 -18.562 19.424 -0.574 206 HD2 ARG 28 1HD ARG 28 -16.683 17.834 -0.479 207 HD3 ARG 28 2HD ARG 28 -17.816 16.475 -0.382 208 HE ARG 28 HE ARG 28 -17.172 18.109 -2.753 209 HH11 ARG 28 1HH1 ARG 28 -19.306 15.623 -1.418 210 HH12 ARG 28 2HH1 ARG 28 -19.815 15.089 -2.997 211 HH21 ARG 28 1HH2 ARG 28 -17.890 17.381 -4.724 212 HH22 ARG 28 2HH2 ARG 28 -19.027 16.065 -4.827 213 H GLY 29 H GLY 29 -15.927 20.299 0.409 214 HA2 GLY 29 1HA GLY 29 -15.941 22.338 -0.718 215 HA3 GLY 29 2HA GLY 29 -17.514 22.711 0.007 216 H GLN 30 H GLN 30 -15.082 21.687 2.216 217 HA GLN 30 HA GLN 30 -14.259 24.433 2.914 218 HB2 GLN 30 1HB GLN 30 -16.534 23.182 4.039 219 HB3 GLN 30 2HB GLN 30 -15.241 22.957 5.217 220 HG2 GLN 30 1HG GLN 30 -14.857 25.383 5.240 221 HG3 GLN 30 2HG GLN 30 -16.203 25.594 4.106 222 HE21 GLN 30 1HE2 GLN 30 -16.886 25.049 8.058 223 HE22 GLN 30 2HE2 GLN 30 -15.269 25.094 7.383 224 H GLY 31 H GLY 31 -12.764 24.281 4.881 225 HA2 GLY 31 1HA GLY 31 -11.421 22.965 6.336 226 HA3 GLY 31 2HA GLY 31 -11.633 21.571 5.279 227 H VAL 32 H VAL 32 -10.985 23.843 3.095 228 HA VAL 32 HA VAL 32 -8.201 23.087 2.812 229 HB VAL 32 HB VAL 32 -9.825 25.374 1.548 230 HG11 VAL 32 1HG1 VAL 32 -8.057 25.327 -0.211 231 HG12 VAL 32 2HG1 VAL 32 -7.121 24.208 0.787 232 HG13 VAL 32 3HG1 VAL 32 -7.458 25.861 1.355 233 HG21 VAL 32 1HG2 VAL 32 -9.983 23.885 -0.429 234 HG22 VAL 32 2HG2 VAL 32 -10.767 23.164 0.993 235 HG23 VAL 32 3HG2 VAL 32 -9.158 22.599 0.474 236 HA PRO 33 HA PRO 33 -6.875 26.111 5.772 237 HB2 PRO 33 1HB PRO 33 -4.172 25.976 5.348 238 HB3 PRO 33 2HB PRO 33 -5.115 24.721 6.200 239 HG2 PRO 33 1HG PRO 33 -4.154 24.758 3.420 240 HG3 PRO 33 2HG PRO 33 -4.152 23.443 4.608 241 HD2 PRO 33 1HD PRO 33 -5.963 23.582 2.668 242 HD3 PRO 33 2HD PRO 33 -6.294 22.879 4.273 243 H ILE 34 H ILE 34 -5.397 28.111 5.815 244 HA ILE 34 HA ILE 34 -6.210 29.759 3.549 245 HB ILE 34 HB ILE 34 -4.414 30.458 5.901 246 HG12 ILE 34 1HG1 ILE 34 -7.346 31.017 5.353 247 HG13 ILE 34 2HG1 ILE 34 -6.737 29.823 6.500 248 HG21 ILE 34 1HG2 ILE 34 -4.681 32.777 5.230 249 HG22 ILE 34 2HG2 ILE 34 -5.864 32.342 3.969 250 HG23 ILE 34 3HG2 ILE 34 -4.156 31.897 3.790 251 HD11 ILE 34 1HD1 ILE 34 -7.359 31.738 7.738 252 HD12 ILE 34 2HD1 ILE 34 -6.458 32.814 6.658 253 HD13 ILE 34 3HD1 ILE 34 -5.589 31.676 7.717 254 H ASN 35 H ASN 35 -5.289 29.457 1.757 255 HA ASN 35 HA ASN 35 -2.378 28.867 1.623 256 HB2 ASN 35 1HB ASN 35 -4.552 28.677 -0.474 257 HB3 ASN 35 2HB ASN 35 -2.887 28.214 -0.721 258 HD21 ASN 35 1HD2 ASN 35 -4.713 25.119 -0.127 259 HD22 ASN 35 2HD2 ASN 35 -4.591 26.357 -1.349 260 H THR 36 H THR 36 -1.802 31.067 2.132 261 HA THR 36 HA THR 36 -2.797 33.314 0.676 262 HB THR 36 HB THR 36 -0.906 34.538 1.704 263 HG1 THR 36 HG1 THR 36 0.630 33.324 2.891 264 HG21 THR 36 1HG2 THR 36 -2.872 33.850 3.112 265 HG22 THR 36 2HG2 THR 36 -1.362 34.067 4.022 266 HG23 THR 36 3HG2 THR 36 -1.928 32.427 3.630 267 H ASN 37 H ASN 37 -0.322 31.034 -0.130 268 HA ASN 37 HA ASN 37 0.644 32.823 -2.313 269 HB2 ASN 37 1HB ASN 37 2.807 31.553 -2.040 270 HB3 ASN 37 2HB ASN 37 2.333 32.570 -0.675 271 HD21 ASN 37 1HD2 ASN 37 2.366 30.057 1.642 272 HD22 ASN 37 2HD2 ASN 37 2.300 31.760 1.259 273 H SER 38 H SER 38 -1.609 30.868 -2.471 274 HA SER 38 HA SER 38 -0.425 29.189 -4.648 275 HB2 SER 38 1HB SER 38 -2.807 28.237 -3.097 276 HB3 SER 38 2HB SER 38 -1.576 27.302 -3.978 277 HG SER 38 HG SER 38 -0.093 28.040 -2.309 278 H SER 39 H SER 39 -1.950 28.662 -6.369 279 HA SER 39 HA SER 39 -3.566 30.978 -7.051 280 HB2 SER 39 1HB SER 39 -4.207 29.364 -8.979 281 HB3 SER 39 2HB SER 39 -2.533 29.882 -8.867 282 HG SER 39 HG SER 39 -3.207 27.490 -9.061 283 HA PRO 40 HA PRO 40 -7.395 29.511 -5.524 284 HB2 PRO 40 1HB PRO 40 -9.249 29.979 -7.485 285 HB3 PRO 40 2HB PRO 40 -8.511 31.298 -6.520 286 HG2 PRO 40 1HG PRO 40 -7.691 30.274 -9.233 287 HG3 PRO 40 2HG PRO 40 -8.049 31.954 -8.727 288 HD2 PRO 40 1HD PRO 40 -5.524 31.085 -8.821 289 HD3 PRO 40 2HD PRO 40 -6.070 32.111 -7.449 290 H ASP 41 H ASP 41 -6.174 28.272 -8.614 291 HA ASP 41 HA ASP 41 -8.129 26.116 -8.703 292 HB2 ASP 41 1HB ASP 41 -6.900 25.219 -10.515 293 HB3 ASP 41 2HB ASP 41 -6.916 26.973 -10.724 294 H ASP 42 H ASP 42 -5.204 26.714 -6.982 295 HA ASP 42 HA ASP 42 -4.543 23.884 -6.566 296 HB2 ASP 42 1HB ASP 42 -2.842 25.662 -7.011 297 HB3 ASP 42 2HB ASP 42 -3.228 26.362 -5.440 298 H GLN 43 H GLN 43 -6.787 25.837 -5.143 299 HA GLN 43 HA GLN 43 -6.214 25.465 -2.369 300 HB2 GLN 43 1HB GLN 43 -8.872 25.780 -3.792 301 HB3 GLN 43 2HB GLN 43 -8.605 25.992 -2.062 302 HG2 GLN 43 1HG GLN 43 -7.427 27.665 -4.295 303 HG3 GLN 43 2HG GLN 43 -8.670 28.170 -3.150 304 HE21 GLN 43 1HE2 GLN 43 -4.809 28.748 -2.329 305 HE22 GLN 43 2HE2 GLN 43 -5.460 28.379 -3.910 306 H ILE 44 H ILE 44 -7.587 23.312 -4.758 307 HA ILE 44 HA ILE 44 -8.753 21.427 -2.946 308 HB ILE 44 HB ILE 44 -9.329 21.555 -5.325 309 HG12 ILE 44 1HG1 ILE 44 -8.158 18.824 -4.898 310 HG13 ILE 44 2HG1 ILE 44 -9.490 19.422 -3.902 311 HG21 ILE 44 1HG2 ILE 44 -7.130 22.083 -6.275 312 HG22 ILE 44 2HG2 ILE 44 -7.830 20.667 -7.055 313 HG23 ILE 44 3HG2 ILE 44 -6.545 20.461 -5.864 314 HD11 ILE 44 1HD1 ILE 44 -10.319 18.104 -5.821 315 HD12 ILE 44 2HD1 ILE 44 -9.549 19.234 -6.942 316 HD13 ILE 44 3HD1 ILE 44 -10.877 19.782 -5.897 317 H GLY 45 H GLY 45 -7.982 19.648 -1.913 318 HA2 GLY 45 1HA GLY 45 -5.489 18.400 -2.451 319 HA3 GLY 45 2HA GLY 45 -5.218 19.652 -1.227 320 H TYR 46 H TYR 46 -4.632 17.915 0.225 321 HA TYR 46 HA TYR 46 -7.009 16.989 1.676 322 HB2 TYR 46 1HB TYR 46 -6.469 14.648 1.578 323 HB3 TYR 46 2HB TYR 46 -6.587 15.242 -0.070 324 HD1 TYR 46 HD1 TYR 46 -4.528 15.491 -1.456 325 HD2 TYR 46 HD2 TYR 46 -4.433 13.913 2.544 326 HE1 TYR 46 HE1 TYR 46 -2.251 14.576 -1.897 327 HE2 TYR 46 HE2 TYR 46 -2.146 12.962 2.070 328 HH TYR 46 HH TYR 46 -0.421 12.780 0.568 329 H TYR 47 H TYR 47 -6.339 15.828 3.713 330 HA TYR 47 HA TYR 47 -3.712 16.924 4.651 331 HB2 TYR 47 1HB TYR 47 -6.181 16.173 6.196 332 HB3 TYR 47 2HB TYR 47 -4.647 16.543 6.935 333 HD1 TYR 47 HD1 TYR 47 -7.085 18.226 4.503 334 HD2 TYR 47 HD2 TYR 47 -4.308 18.669 7.776 335 HE1 TYR 47 HE1 TYR 47 -7.701 20.609 4.731 336 HE2 TYR 47 HE2 TYR 47 -4.963 21.058 7.961 337 HH TYR 47 HH TYR 47 -7.488 22.527 5.994 338 H ARG 48 H ARG 48 -2.296 15.559 5.621 339 HA ARG 48 HA ARG 48 -2.824 12.625 5.281 340 HB2 ARG 48 1HB ARG 48 -1.285 13.817 3.664 341 HB3 ARG 48 2HB ARG 48 -0.221 14.187 5.006 342 HG2 ARG 48 1HG ARG 48 0.328 11.879 5.323 343 HG3 ARG 48 2HG ARG 48 -0.961 11.363 4.213 344 HD2 ARG 48 1HD ARG 48 0.147 12.583 2.365 345 HD3 ARG 48 2HD ARG 48 1.453 13.055 3.453 346 HE ARG 48 HE ARG 48 0.924 10.353 2.350 347 HH11 ARG 48 1HH1 ARG 48 3.011 12.392 4.345 348 HH12 ARG 48 2HH1 ARG 48 4.315 11.236 4.323 349 HH21 ARG 48 1HH2 ARG 48 2.639 8.936 2.363 350 HH22 ARG 48 2HH2 ARG 48 4.102 9.316 3.225 351 H ARG 49 H ARG 49 -2.868 11.571 7.217 352 HA ARG 49 HA ARG 49 -1.708 12.723 9.623 353 HB2 ARG 49 1HB ARG 49 -3.593 11.239 9.852 354 HB3 ARG 49 2HB ARG 49 -2.765 9.944 8.984 355 HG2 ARG 49 1HG ARG 49 -1.328 9.468 10.776 356 HG3 ARG 49 2HG ARG 49 -1.593 11.038 11.543 357 HD2 ARG 49 1HD ARG 49 -2.629 9.013 12.690 358 HD3 ARG 49 2HD ARG 49 -3.659 10.422 12.439 359 HE ARG 49 HE ARG 49 -5.089 9.176 11.193 360 HH11 ARG 49 1HH1 ARG 49 -2.041 7.337 11.222 361 HH12 ARG 49 2HH1 ARG 49 -2.794 5.974 10.426 362 HH21 ARG 49 1HH2 ARG 49 -5.917 7.432 10.277 363 HH22 ARG 49 2HH2 ARG 49 -4.945 6.021 9.876 364 H ALA 50 H ALA 50 0.226 12.424 10.568 365 HA ALA 50 HA ALA 50 2.091 10.364 9.528 366 HB1 ALA 50 1HB ALA 50 2.489 12.418 8.168 367 HB2 ALA 50 2HB ALA 50 3.868 12.072 9.241 368 HB3 ALA 50 3HB ALA 50 2.704 13.355 9.669 369 H THR 51 H THR 51 3.409 9.555 11.162 370 HA THR 51 HA THR 51 4.117 11.216 13.437 371 HB THR 51 HB THR 51 1.870 10.424 14.163 372 HG1 THR 51 HG1 THR 51 3.107 10.743 15.881 373 HG21 THR 51 1HG2 THR 51 1.482 8.095 14.730 374 HG22 THR 51 2HG2 THR 51 3.091 7.645 14.134 375 HG23 THR 51 3HG2 THR 51 1.849 8.222 12.996 376 H ARG 52 H ARG 52 5.770 10.342 14.683 377 HA ARG 52 HA ARG 52 6.743 7.616 14.076 378 HB2 ARG 52 1HB ARG 52 7.814 9.223 12.390 379 HB3 ARG 52 2HB ARG 52 8.567 10.039 13.762 380 HG2 ARG 52 1HG ARG 52 10.227 8.596 12.927 381 HG3 ARG 52 2HG ARG 52 9.596 7.745 14.350 382 HD2 ARG 52 1HD ARG 52 8.182 6.341 12.908 383 HD3 ARG 52 2HD ARG 52 8.707 7.251 11.479 384 HE ARG 52 HE ARG 52 11.005 6.217 12.791 385 HH11 ARG 52 1HH1 ARG 52 8.269 5.034 10.897 386 HH12 ARG 52 2HH1 ARG 52 9.161 3.660 10.298 387 HH21 ARG 52 1HH2 ARG 52 12.077 4.435 11.982 388 HH22 ARG 52 2HH2 ARG 52 11.271 3.331 10.905 389 H ARG 53 H ARG 53 7.237 6.761 16.042 390 HA ARG 53 HA ARG 53 8.323 8.593 18.123 391 HB2 ARG 53 1HB ARG 53 5.831 8.188 18.383 392 HB3 ARG 53 2HB ARG 53 6.197 6.482 18.656 393 HG2 ARG 53 1HG ARG 53 7.724 8.372 20.348 394 HG3 ARG 53 2HG ARG 53 5.970 8.421 20.588 395 HD2 ARG 53 1HD ARG 53 5.967 5.964 20.934 396 HD3 ARG 53 2HD ARG 53 7.738 5.959 20.794 397 HE ARG 53 HE ARG 53 7.135 7.870 22.741 398 HH11 ARG 53 1HH1 ARG 53 6.587 4.397 22.411 399 HH12 ARG 53 2HH1 ARG 53 6.620 4.138 24.135 400 HH21 ARG 53 1HH2 ARG 53 7.183 7.463 24.916 401 HH22 ARG 53 2HH2 ARG 53 6.945 5.849 25.527 402 H ILE 54 H ILE 54 9.819 7.790 19.367 403 HA ILE 54 HA ILE 54 10.611 4.958 19.108 404 HB ILE 54 HB ILE 54 12.839 5.434 18.437 405 HG12 ILE 54 1HG1 ILE 54 13.449 7.276 19.852 406 HG13 ILE 54 2HG1 ILE 54 13.848 7.659 18.191 407 HG21 ILE 54 1HG2 ILE 54 11.230 7.408 16.753 408 HG22 ILE 54 2HG2 ILE 54 11.267 5.642 16.525 409 HG23 ILE 54 3HG2 ILE 54 12.743 6.607 16.292 410 HD11 ILE 54 1HD1 ILE 54 13.004 9.622 19.206 411 HD12 ILE 54 2HD1 ILE 54 11.569 8.777 19.813 412 HD13 ILE 54 3HD1 ILE 54 11.764 9.051 18.070 413 H ARG 55 H ARG 55 12.670 4.812 20.720 414 HA ARG 55 HA ARG 55 12.209 6.610 23.066 415 HB2 ARG 55 1HB ARG 55 11.112 4.374 23.439 416 HB3 ARG 55 2HB ARG 55 12.684 3.603 23.191 417 HG2 ARG 55 1HG ARG 55 13.106 5.600 25.162 418 HG3 ARG 55 2HG ARG 55 11.581 4.814 25.594 419 HD2 ARG 55 1HD ARG 55 14.175 3.335 24.990 420 HD3 ARG 55 2HD ARG 55 13.622 3.762 26.619 421 HE ARG 55 HE ARG 55 11.535 2.344 25.338 422 HH11 ARG 55 1HH1 ARG 55 14.773 1.690 26.577 423 HH12 ARG 55 2HH1 ARG 55 14.409 0.017 26.909 424 HH21 ARG 55 1HH2 ARG 55 11.140 0.196 25.798 425 HH22 ARG 55 2HH2 ARG 55 12.393 -0.807 26.475 426 H GLY 56 H GLY 56 14.086 7.766 23.180 427 HA2 GLY 56 1HA GLY 56 16.602 6.622 22.241 428 HA3 GLY 56 2HA GLY 56 16.364 8.200 23.029 429 H GLY 57 H GLY 57 18.551 6.726 23.842 430 HA2 GLY 57 1HA GLY 57 17.976 4.851 25.917 431 HA3 GLY 57 2HA GLY 57 19.513 5.703 25.680 432 H ASP 58 H ASP 58 18.631 8.358 25.976 433 HA ASP 58 HA ASP 58 18.275 8.418 28.905 434 HB2 ASP 58 1HB ASP 58 18.442 10.935 27.387 435 HB3 ASP 58 2HB ASP 58 19.279 10.396 28.824 436 H GLY 59 H GLY 59 16.217 7.965 26.686 437 HA2 GLY 59 1HA GLY 59 13.881 8.016 26.988 438 HA3 GLY 59 2HA GLY 59 14.060 9.345 28.132 439 H LYS 60 H LYS 60 15.809 10.569 25.738 440 HA LYS 60 HA LYS 60 13.833 12.365 24.849 441 HB2 LYS 60 1HB LYS 60 16.544 11.580 23.750 442 HB3 LYS 60 2HB LYS 60 15.512 12.750 22.923 443 HG2 LYS 60 1HG LYS 60 16.525 14.303 24.185 444 HG3 LYS 60 2HG LYS 60 15.437 13.744 25.460 445 HD2 LYS 60 1HD LYS 60 17.630 13.886 26.388 446 HD3 LYS 60 2HD LYS 60 17.233 12.169 26.227 447 HE2 LYS 60 1HE LYS 60 18.648 11.918 24.313 448 HE3 LYS 60 2HE LYS 60 18.806 13.681 24.115 449 HZ1 LYS 60 1HZ LYS 60 20.787 13.003 25.107 450 HZ2 LYS 60 2HZ LYS 60 20.063 11.952 26.143 451 HZ3 LYS 60 3HZ LYS 60 19.929 13.584 26.392 452 H MET 61 H MET 61 12.426 12.367 23.307 453 HA MET 61 HA MET 61 12.325 10.085 21.418 454 HB2 MET 61 1HB MET 61 9.944 9.863 21.859 455 HB3 MET 61 2HB MET 61 10.900 9.613 23.316 456 HG2 MET 61 1HG MET 61 10.341 11.803 24.163 457 HG3 MET 61 2HG MET 61 9.477 12.210 22.664 458 HE1 MET 61 1HE MET 61 7.761 10.025 21.776 459 HE2 MET 61 2HE MET 61 7.122 11.634 22.169 460 HE3 MET 61 3HE MET 61 6.289 10.183 22.767 461 H LYS 62 H LYS 62 10.064 10.638 20.039 462 HA LYS 62 HA LYS 62 10.623 13.278 18.788 463 HB2 LYS 62 1HB LYS 62 9.876 10.560 17.689 464 HB3 LYS 62 2HB LYS 62 9.554 12.009 16.770 465 HG2 LYS 62 1HG LYS 62 12.309 11.350 17.755 466 HG3 LYS 62 2HG LYS 62 11.671 10.797 16.198 467 HD2 LYS 62 1HD LYS 62 11.232 13.182 15.591 468 HD3 LYS 62 2HD LYS 62 12.049 13.669 17.098 469 HE2 LYS 62 1HE LYS 62 14.074 12.436 16.376 470 HE3 LYS 62 2HE LYS 62 13.256 11.986 14.866 471 HZ1 LYS 62 1HZ LYS 62 14.669 13.946 14.569 472 HZ2 LYS 62 2HZ LYS 62 13.851 14.771 15.741 473 HZ3 LYS 62 3HZ LYS 62 13.089 14.364 14.336 474 H ASP 63 H ASP 63 7.929 11.820 17.407 475 HA ASP 63 HA ASP 63 6.245 13.916 18.343 476 HB2 ASP 63 1HB ASP 63 5.495 11.304 16.979 477 HB3 ASP 63 2HB ASP 63 4.479 12.749 17.087 478 H LEU 64 H LEU 64 4.605 13.979 19.796 479 HA LEU 64 HA LEU 64 4.491 11.818 21.809 480 HB2 LEU 64 1HB LEU 64 3.135 14.534 21.581 481 HB3 LEU 64 2HB LEU 64 2.886 13.426 22.926 482 HG LEU 64 HG LEU 64 5.620 14.535 22.224 483 HD11 LEU 64 1HD1 LEU 64 5.221 16.239 23.959 484 HD12 LEU 64 2HD1 LEU 64 3.546 15.665 24.146 485 HD13 LEU 64 3HD1 LEU 64 4.073 16.405 22.615 486 HD21 LEU 64 1HD2 LEU 64 6.133 13.990 24.559 487 HD22 LEU 64 2HD2 LEU 64 5.547 12.546 23.716 488 HD23 LEU 64 3HD2 LEU 64 4.466 13.423 24.819 489 H SER 65 H SER 65 2.105 13.746 19.940 490 HA SER 65 HA SER 65 0.349 11.355 19.747 491 HB2 SER 65 1HB SER 65 -1.428 13.059 19.465 492 HB3 SER 65 2HB SER 65 -0.599 13.238 21.014 493 HG SER 65 HG SER 65 -1.008 15.115 19.378 494 HA PRO 66 HA PRO 66 0.978 11.740 15.407 495 HB2 PRO 66 1HB PRO 66 -1.406 11.263 14.187 496 HB3 PRO 66 2HB PRO 66 -0.533 9.978 15.086 497 HG2 PRO 66 1HG PRO 66 -2.777 11.743 16.018 498 HG3 PRO 66 2HG PRO 66 -2.634 9.962 16.112 499 HD2 PRO 66 1HD PRO 66 -2.023 11.567 18.208 500 HD3 PRO 66 2HD PRO 66 -1.099 10.063 17.875 501 H ARG 67 H ARG 67 0.557 13.071 13.442 502 HA ARG 67 HA ARG 67 -1.151 15.448 13.954 503 HB2 ARG 67 1HB ARG 67 0.652 16.946 13.189 504 HB3 ARG 67 2HB ARG 67 1.001 16.173 14.717 505 HG2 ARG 67 1HG ARG 67 2.089 14.662 12.479 506 HG3 ARG 67 2HG ARG 67 2.690 16.310 12.559 507 HD2 ARG 67 1HD ARG 67 2.932 15.771 15.122 508 HD3 ARG 67 2HD ARG 67 3.031 14.102 14.523 509 HE ARG 67 HE ARG 67 5.038 16.158 14.376 510 HH11 ARG 67 1HH1 ARG 67 3.835 13.413 12.491 511 HH12 ARG 67 2HH1 ARG 67 5.381 13.178 11.712 512 HH21 ARG 67 1HH2 ARG 67 6.939 15.786 13.352 513 HH22 ARG 67 2HH2 ARG 67 7.096 14.509 12.179 514 H TRP 68 H TRP 68 -1.513 16.741 12.016 515 HA TRP 68 HA TRP 68 -1.463 15.005 9.568 516 HB2 TRP 68 1HB TRP 68 -3.472 17.049 10.553 517 HB3 TRP 68 2HB TRP 68 -3.502 16.336 8.938 518 HD1 TRP 68 HD1 TRP 68 -3.821 15.222 12.638 519 HE1 TRP 68 HE1 TRP 68 -5.347 13.186 12.779 520 HE3 TRP 68 HE3 TRP 68 -4.475 14.475 7.623 521 HZ2 TRP 68 HZ2 TRP 68 -6.699 11.520 10.959 522 HZ3 TRP 68 HZ3 TRP 68 -5.956 12.604 6.873 523 HH2 TRP 68 HH2 TRP 68 -7.069 11.130 8.565 524 H TYR 69 H TYR 69 -0.613 15.835 7.753 525 HA TYR 69 HA TYR 69 0.227 18.729 7.791 526 HB2 TYR 69 1HB TYR 69 1.298 16.267 6.357 527 HB3 TYR 69 2HB TYR 69 1.790 17.917 5.979 528 HD1 TYR 69 HD1 TYR 69 1.713 15.437 8.809 529 HD2 TYR 69 HD2 TYR 69 3.523 18.999 7.189 530 HE1 TYR 69 HE1 TYR 69 3.450 15.382 10.600 531 HE2 TYR 69 HE2 TYR 69 5.279 18.897 8.950 532 HH TYR 69 HH TYR 69 5.240 16.507 11.551 533 H PHE 70 H PHE 70 0.070 19.733 5.516 534 HA PHE 70 HA PHE 70 -2.357 18.651 4.163 535 HB2 PHE 70 1HB PHE 70 -2.667 20.883 5.188 536 HB3 PHE 70 2HB PHE 70 -1.335 21.503 4.208 537 HD1 PHE 70 HD1 PHE 70 -4.663 19.831 3.949 538 HD2 PHE 70 HD2 PHE 70 -1.771 22.328 2.000 539 HE1 PHE 70 HE1 PHE 70 -6.269 20.238 2.099 540 HE2 PHE 70 HE2 PHE 70 -3.384 22.765 0.159 541 HZ PHE 70 HZ PHE 70 -5.640 21.721 0.199 542 H TYR 71 H TYR 71 -2.338 18.311 2.047 543 HA TYR 71 HA TYR 71 0.173 18.871 0.531 544 HB2 TYR 71 1HB TYR 71 -1.117 16.314 1.336 545 HB3 TYR 71 2HB TYR 71 -0.531 16.407 -0.343 546 HD1 TYR 71 HD1 TYR 71 0.389 16.053 3.183 547 HD2 TYR 71 HD2 TYR 71 1.934 16.798 -0.761 548 HE1 TYR 71 HE1 TYR 71 2.690 15.465 3.963 549 HE2 TYR 71 HE2 TYR 71 4.221 16.212 0.019 550 HH TYR 71 HH TYR 71 5.513 15.515 1.723 551 H TYR 72 H TYR 72 -0.256 19.481 -1.536 552 HA TYR 72 HA TYR 72 -2.963 20.037 -2.348 553 HB2 TYR 72 1HB TYR 72 -0.374 20.107 -3.890 554 HB3 TYR 72 2HB TYR 72 -1.923 20.745 -4.426 555 HD1 TYR 72 HD1 TYR 72 1.089 21.826 -3.303 556 HD2 TYR 72 HD2 TYR 72 -3.078 22.249 -2.313 557 HE1 TYR 72 HE1 TYR 72 1.544 24.017 -2.221 558 HE2 TYR 72 HE2 TYR 72 -2.575 24.416 -1.197 559 HH TYR 72 HH TYR 72 -0.959 26.071 -0.872 560 H LEU 73 H LEU 73 -3.954 19.219 -4.363 561 HA LEU 73 HA LEU 73 -4.335 16.453 -4.291 562 HB2 LEU 73 1HB LEU 73 -5.511 18.526 -5.521 563 HB3 LEU 73 2HB LEU 73 -4.618 17.915 -6.890 564 HG LEU 73 HG LEU 73 -6.872 16.578 -5.385 565 HD11 LEU 73 1HD1 LEU 73 -7.350 18.285 -7.140 566 HD12 LEU 73 2HD1 LEU 73 -7.949 16.674 -7.568 567 HD13 LEU 73 3HD1 LEU 73 -6.460 17.296 -8.313 568 HD21 LEU 73 1HD2 LEU 73 -5.373 14.754 -5.823 569 HD22 LEU 73 2HD2 LEU 73 -5.043 15.343 -7.469 570 HD23 LEU 73 3HD2 LEU 73 -6.647 14.708 -7.044 571 H GLY 74 H GLY 74 -3.220 14.697 -4.989 572 HA2 GLY 74 1HA GLY 74 -1.877 13.387 -6.313 573 HA3 GLY 74 2HA GLY 74 -2.056 14.612 -7.570 574 H THR 75 H THR 75 -0.512 15.260 -4.417 575 HA THR 75 HA THR 75 1.957 15.917 -5.905 576 HB THR 75 HB THR 75 2.718 16.571 -3.511 577 HG1 THR 75 HG1 THR 75 -0.078 16.660 -3.020 578 HG21 THR 75 1HG2 THR 75 1.429 18.674 -3.583 579 HG22 THR 75 2HG2 THR 75 0.355 17.964 -4.810 580 HG23 THR 75 3HG2 THR 75 2.075 18.224 -5.175 581 H GLY 76 H GLY 76 3.934 14.935 -5.527 582 HA2 GLY 76 1HA GLY 76 5.314 13.269 -4.440 583 HA3 GLY 76 2HA GLY 76 3.856 12.320 -4.074 584 HA PRO 77 HA PRO 77 5.588 11.821 -8.533 585 HB2 PRO 77 1HB PRO 77 7.419 9.781 -8.426 586 HB3 PRO 77 2HB PRO 77 7.838 11.495 -8.166 587 HG2 PRO 77 1HG PRO 77 7.285 9.392 -6.096 588 HG3 PRO 77 2HG PRO 77 8.676 10.515 -6.217 589 HD2 PRO 77 1HD PRO 77 6.572 11.055 -4.620 590 HD3 PRO 77 2HD PRO 77 7.396 12.359 -5.545 591 H GLU 78 H GLU 78 5.244 9.138 -6.249 592 HA GLU 78 HA GLU 78 3.759 7.571 -8.322 593 HB2 GLU 78 1HB GLU 78 4.511 5.586 -7.109 594 HB3 GLU 78 2HB GLU 78 5.885 6.599 -7.561 595 HG2 GLU 78 1HG GLU 78 5.481 7.591 -5.095 596 HG3 GLU 78 2HG GLU 78 4.796 5.981 -4.844 597 H ALA 79 H ALA 79 2.745 9.701 -6.448 598 HA ALA 79 HA ALA 79 1.477 8.559 -4.206 599 HB1 ALA 79 1HB ALA 79 1.719 10.959 -4.502 600 HB2 ALA 79 2HB ALA 79 0.002 10.559 -4.290 601 HB3 ALA 79 3HB ALA 79 0.637 10.938 -5.911 602 H GLY 80 H GLY 80 0.216 8.949 -7.533 603 HA2 GLY 80 1HA GLY 80 -1.561 7.953 -8.590 604 HA3 GLY 80 2HA GLY 80 -1.332 6.612 -7.467 605 H LEU 81 H LEU 81 -2.213 9.753 -6.161 606 HA LEU 81 HA LEU 81 -4.818 8.581 -5.419 607 HB2 LEU 81 1HB LEU 81 -2.953 10.593 -4.187 608 HB3 LEU 81 2HB LEU 81 -4.646 10.599 -3.782 609 HG LEU 81 HG LEU 81 -2.788 8.287 -3.314 610 HD11 LEU 81 1HD1 LEU 81 -2.285 10.241 -1.904 611 HD12 LEU 81 2HD1 LEU 81 -2.969 8.914 -0.944 612 HD13 LEU 81 3HD1 LEU 81 -3.987 10.304 -1.383 613 HD21 LEU 81 1HD2 LEU 81 -5.633 8.664 -2.325 614 HD22 LEU 81 2HD2 LEU 81 -4.571 7.274 -2.022 615 HD23 LEU 81 3HD2 LEU 81 -5.163 7.588 -3.665 616 HA PRO 82 HA PRO 82 -6.544 11.932 -7.930 617 HB2 PRO 82 1HB PRO 82 -8.910 10.687 -8.448 618 HB3 PRO 82 2HB PRO 82 -7.411 10.242 -9.329 619 HG2 PRO 82 1HG PRO 82 -8.696 8.902 -6.966 620 HG3 PRO 82 2HG PRO 82 -8.044 8.172 -8.456 621 HD2 PRO 82 1HD PRO 82 -6.679 8.239 -6.146 622 HD3 PRO 82 2HD PRO 82 -5.895 8.263 -7.744 623 H TYR 83 H TYR 83 -8.588 13.225 -7.432 624 HA TYR 83 HA TYR 83 -8.801 13.644 -4.622 625 HB2 TYR 83 1HB TYR 83 -9.277 15.370 -6.336 626 HB3 TYR 83 2HB TYR 83 -10.725 14.477 -6.819 627 HD1 TYR 83 HD1 TYR 83 -9.142 16.430 -4.073 628 HD2 TYR 83 HD2 TYR 83 -12.764 14.581 -5.480 629 HE1 TYR 83 HE1 TYR 83 -10.430 17.602 -2.308 630 HE2 TYR 83 HE2 TYR 83 -14.046 15.755 -3.686 631 HH TYR 83 HH TYR 83 -13.930 17.129 -1.854 632 H GLY 84 H GLY 84 -10.072 12.783 -3.089 633 HA2 GLY 84 1HA GLY 84 -12.028 11.830 -2.222 634 HA3 GLY 84 2HA GLY 84 -12.574 11.437 -3.856 635 H ALA 85 H ALA 85 -9.424 10.370 -3.750 636 HA ALA 85 HA ALA 85 -10.174 7.629 -3.692 637 HB1 ALA 85 1HB ALA 85 -8.210 8.268 -4.828 638 HB2 ALA 85 2HB ALA 85 -7.705 7.241 -3.474 639 HB3 ALA 85 3HB ALA 85 -7.510 9.012 -3.382 640 H ASN 86 H ASN 86 -10.433 6.181 -2.137 641 HA ASN 86 HA ASN 86 -10.396 7.087 0.636 642 HB2 ASN 86 1HB ASN 86 -12.163 5.587 -0.311 643 HB3 ASN 86 2HB ASN 86 -10.935 4.329 -0.532 644 HD21 ASN 86 1HD2 ASN 86 -12.098 3.176 2.577 645 HD22 ASN 86 2HD2 ASN 86 -12.145 2.955 0.844 646 H LYS 87 H LYS 87 -8.679 6.998 1.941 647 HA LYS 87 HA LYS 87 -6.889 4.670 1.873 648 HB2 LYS 87 1HB LYS 87 -5.889 6.161 0.188 649 HB3 LYS 87 2HB LYS 87 -5.892 7.489 1.335 650 HG2 LYS 87 1HG LYS 87 -4.251 6.461 2.715 651 HG3 LYS 87 2HG LYS 87 -4.424 4.900 1.867 652 HD2 LYS 87 1HD LYS 87 -3.582 6.116 -0.189 653 HD3 LYS 87 2HD LYS 87 -3.154 7.443 0.907 654 HE2 LYS 87 1HE LYS 87 -2.170 4.572 1.003 655 HE3 LYS 87 2HE LYS 87 -1.213 6.016 0.614 656 HZ1 LYS 87 1HZ LYS 87 -0.887 5.291 2.918 657 HZ2 LYS 87 2HZ LYS 87 -2.494 5.463 3.243 658 HZ3 LYS 87 3HZ LYS 87 -1.585 6.787 2.892 659 H ASP 88 H ASP 88 -5.707 4.468 3.816 660 HA ASP 88 HA ASP 88 -6.980 5.601 6.129 661 HB2 ASP 88 1HB ASP 88 -5.816 3.420 6.205 662 HB3 ASP 88 2HB ASP 88 -4.275 4.237 5.891 663 H GLY 89 H GLY 89 -6.526 7.333 7.339 664 HA2 GLY 89 1HA GLY 89 -5.429 9.200 8.118 665 HA3 GLY 89 2HA GLY 89 -3.941 8.581 7.387 666 H ILE 90 H ILE 90 -6.753 9.048 5.336 667 HA ILE 90 HA ILE 90 -5.567 11.592 4.322 668 HB ILE 90 HB ILE 90 -6.681 9.291 2.619 669 HG12 ILE 90 1HG1 ILE 90 -4.457 8.774 3.513 670 HG13 ILE 90 2HG1 ILE 90 -4.450 8.993 1.773 671 HG21 ILE 90 1HG2 ILE 90 -5.785 10.714 0.697 672 HG22 ILE 90 2HG2 ILE 90 -5.608 12.045 1.866 673 HG23 ILE 90 3HG2 ILE 90 -7.211 11.367 1.526 674 HD11 ILE 90 1HD1 ILE 90 -3.226 10.911 1.850 675 HD12 ILE 90 2HD1 ILE 90 -2.535 9.930 3.159 676 HD13 ILE 90 3HD1 ILE 90 -3.654 11.274 3.542 677 H ILE 91 H ILE 91 -6.948 13.191 4.103 678 HA ILE 91 HA ILE 91 -9.839 12.561 3.688 679 HB ILE 91 HB ILE 91 -10.420 14.533 5.170 680 HG12 ILE 91 1HG1 ILE 91 -8.021 14.249 6.837 681 HG13 ILE 91 2HG1 ILE 91 -7.647 14.889 5.263 682 HG21 ILE 91 1HG2 ILE 91 -9.114 12.189 6.626 683 HG22 ILE 91 2HG2 ILE 91 -10.733 12.162 5.894 684 HG23 ILE 91 3HG2 ILE 91 -10.392 13.261 7.251 685 HD11 ILE 91 1HD1 ILE 91 -8.141 16.675 6.878 686 HD12 ILE 91 2HD1 ILE 91 -9.788 16.040 7.066 687 HD13 ILE 91 3HD1 ILE 91 -9.240 16.681 5.490 688 H TRP 92 H TRP 92 -10.546 13.529 1.906 689 HA TRP 92 HA TRP 92 -8.859 15.579 0.658 690 HB2 TRP 92 1HB TRP 92 -11.336 14.096 -0.269 691 HB3 TRP 92 2HB TRP 92 -10.405 15.229 -1.250 692 HD1 TRP 92 HD1 TRP 92 -10.262 11.699 0.145 693 HE1 TRP 92 HE1 TRP 92 -8.338 10.399 -0.861 694 HE3 TRP 92 HE3 TRP 92 -8.034 15.591 -2.317 695 HZ2 TRP 92 HZ2 TRP 92 -6.056 10.980 -2.468 696 HZ3 TRP 92 HZ3 TRP 92 -5.947 15.142 -3.607 697 HH2 TRP 92 HH2 TRP 92 -4.970 12.849 -3.679 698 H VAL 93 H VAL 93 -9.319 17.666 0.282 699 HA VAL 93 HA VAL 93 -12.038 18.683 0.963 700 HB VAL 93 HB VAL 93 -10.966 20.676 2.080 701 HG11 VAL 93 1HG1 VAL 93 -10.373 18.012 3.440 702 HG12 VAL 93 2HG1 VAL 93 -11.948 18.844 3.418 703 HG13 VAL 93 3HG1 VAL 93 -10.562 19.591 4.239 704 HG21 VAL 93 1HG2 VAL 93 -8.679 20.575 2.870 705 HG22 VAL 93 2HG2 VAL 93 -8.667 20.357 1.110 706 HG23 VAL 93 3HG2 VAL 93 -8.454 18.953 2.183 707 H ALA 94 H ALA 94 -12.512 20.729 -0.060 708 HA ALA 94 HA ALA 94 -10.690 21.822 -2.053 709 HB1 ALA 94 1HB ALA 94 -12.084 21.295 -4.006 710 HB2 ALA 94 2HB ALA 94 -13.240 20.403 -2.983 711 HB3 ALA 94 3HB ALA 94 -11.596 19.772 -3.230 712 H THR 95 H THR 95 -11.882 23.646 -3.185 713 HA THR 95 HA THR 95 -14.315 24.564 -1.765 714 HB THR 95 HB THR 95 -12.248 25.646 -0.686 715 HG1 THR 95 HG1 THR 95 -13.205 27.781 -0.930 716 HG21 THR 95 1HG2 THR 95 -11.034 27.322 -1.885 717 HG22 THR 95 2HG2 THR 95 -12.106 27.196 -3.298 718 HG23 THR 95 3HG2 THR 95 -10.999 25.866 -2.898 719 H GLU 96 H GLU 96 -15.044 26.652 -3.122 720 HA GLU 96 HA GLU 96 -15.464 25.686 -5.783 721 HB2 GLU 96 1HB GLU 96 -17.014 27.105 -4.403 722 HB3 GLU 96 2HB GLU 96 -15.934 28.479 -4.685 723 HG2 GLU 96 1HG GLU 96 -16.358 28.380 -7.073 724 HG3 GLU 96 2HG GLU 96 -17.271 26.873 -6.885 725 H GLY 97 H GLY 97 -14.528 26.191 -7.677 726 HA2 GLY 97 1HA GLY 97 -13.304 27.533 -9.188 727 HA3 GLY 97 2HA GLY 97 -12.589 28.416 -7.833 728 H ALA 98 H ALA 98 -12.221 25.457 -6.723 729 HA ALA 98 HA ALA 98 -9.467 25.284 -7.592 730 HB1 ALA 98 1HB ALA 98 -10.345 24.759 -5.304 731 HB2 ALA 98 2HB ALA 98 -9.294 23.527 -6.028 732 HB3 ALA 98 3HB ALA 98 -11.060 23.281 -5.997 733 H LEU 99 H LEU 99 -8.489 23.700 -8.927 734 HA LEU 99 HA LEU 99 -10.423 22.267 -10.682 735 HB2 LEU 99 1HB LEU 99 -7.553 23.121 -11.065 736 HB3 LEU 99 2HB LEU 99 -8.415 22.077 -12.167 737 HG LEU 99 HG LEU 99 -9.057 24.978 -11.598 738 HD11 LEU 99 1HD1 LEU 99 -8.334 25.192 -13.961 739 HD12 LEU 99 2HD1 LEU 99 -7.968 23.445 -13.990 740 HD13 LEU 99 3HD1 LEU 99 -7.049 24.538 -12.923 741 HD21 LEU 99 1HD2 LEU 99 -11.166 23.831 -12.049 742 HD22 LEU 99 2HD2 LEU 99 -10.448 22.985 -13.445 743 HD23 LEU 99 3HD2 LEU 99 -10.683 24.748 -13.485 744 H ASN 100 H ASN 100 -10.439 20.194 -10.957 745 HA ASN 100 HA ASN 100 -8.932 18.491 -9.128 746 HB2 ASN 100 1HB ASN 100 -11.059 17.960 -11.230 747 HB3 ASN 100 2HB ASN 100 -10.228 16.652 -10.378 748 HD21 ASN 100 1HD2 ASN 100 -12.495 16.734 -7.801 749 HD22 ASN 100 2HD2 ASN 100 -11.514 15.822 -8.922 750 H THR 101 H THR 101 -6.873 19.346 -10.226 751 HA THR 101 HA THR 101 -6.032 17.336 -12.275 752 HB THR 101 HB THR 101 -6.558 19.818 -13.150 753 HG1 THR 101 HG1 THR 101 -4.859 19.551 -14.650 754 HG21 THR 101 1HG2 THR 101 -4.658 21.309 -13.053 755 HG22 THR 101 2HG2 THR 101 -3.726 20.128 -12.094 756 HG23 THR 101 3HG2 THR 101 -5.179 20.913 -11.404 757 HA PRO 102 HA PRO 102 -2.853 16.828 -9.276 758 HB2 PRO 102 1HB PRO 102 -0.582 16.454 -10.782 759 HB3 PRO 102 2HB PRO 102 -1.850 15.197 -10.585 760 HG2 PRO 102 1HG PRO 102 -1.439 17.180 -12.809 761 HG3 PRO 102 2HG PRO 102 -1.745 15.417 -12.907 762 HD2 PRO 102 1HD PRO 102 -3.706 17.157 -13.265 763 HD3 PRO 102 2HD PRO 102 -3.984 15.647 -12.339 764 H LYS 103 H LYS 103 -1.180 17.785 -8.167 765 HA LYS 103 HA LYS 103 -0.271 20.467 -9.161 766 HB2 LYS 103 1HB LYS 103 -0.736 19.637 -6.288 767 HB3 LYS 103 2HB LYS 103 -0.454 21.260 -6.897 768 HG2 LYS 103 1HG LYS 103 -2.895 19.568 -7.361 769 HG3 LYS 103 2HG LYS 103 -2.789 20.887 -6.233 770 HD2 LYS 103 1HD LYS 103 -2.433 22.461 -8.097 771 HD3 LYS 103 2HD LYS 103 -2.629 21.110 -9.240 772 HE2 LYS 103 1HE LYS 103 -4.840 20.624 -8.231 773 HE3 LYS 103 2HE LYS 103 -4.647 22.039 -7.185 774 HZ1 LYS 103 1HZ LYS 103 -4.493 23.386 -9.207 775 HZ2 LYS 103 2HZ LYS 103 -5.936 22.600 -9.075 776 HZ3 LYS 103 3HZ LYS 103 -4.787 22.047 -10.123 777 H ASP 104 H ASP 104 0.974 17.890 -9.521 778 HA ASP 104 HA ASP 104 2.871 17.116 -7.636 779 HB2 ASP 104 1HB ASP 104 4.063 16.110 -9.507 780 HB3 ASP 104 2HB ASP 104 2.320 15.928 -9.760 781 H HIS 105 H HIS 105 3.164 19.617 -10.149 782 HA HIS 105 HA HIS 105 5.912 20.239 -9.603 783 HB2 HIS 105 1HB HIS 105 5.590 22.062 -11.117 784 HB3 HIS 105 2HB HIS 105 4.657 20.686 -11.724 785 HD1 HIS 105 HD1 HIS 105 4.324 24.217 -10.522 786 HD2 HIS 105 HD2 HIS 105 1.786 20.998 -11.406 787 HE1 HIS 105 HE1 HIS 105 1.960 25.165 -10.732 788 H ILE 106 H ILE 106 3.164 20.948 -7.711 789 HA ILE 106 HA ILE 106 4.358 23.471 -6.694 790 HB ILE 106 HB ILE 106 1.717 22.132 -5.851 791 HG12 ILE 106 1HG1 ILE 106 2.241 24.343 -7.887 792 HG13 ILE 106 2HG1 ILE 106 1.657 22.711 -8.230 793 HG21 ILE 106 1HG2 ILE 106 1.236 24.358 -4.859 794 HG22 ILE 106 2HG2 ILE 106 2.758 25.020 -5.501 795 HG23 ILE 106 3HG2 ILE 106 2.781 23.788 -4.223 796 HD11 ILE 106 1HD1 ILE 106 -0.264 23.282 -6.599 797 HD12 ILE 106 2HD1 ILE 106 -0.297 23.965 -8.245 798 HD13 ILE 106 3HD1 ILE 106 0.208 24.972 -6.856 799 H GLY 107 H GLY 107 3.519 20.143 -5.686 800 HA2 GLY 107 1HA GLY 107 4.154 20.522 -2.929 801 HA3 GLY 107 2HA GLY 107 3.977 18.984 -3.756 802 H THR 108 H THR 108 6.438 21.006 -5.043 803 HA THR 108 HA THR 108 8.503 19.165 -4.024 804 HB THR 108 HB THR 108 8.366 19.671 -6.446 805 HG1 THR 108 HG1 THR 108 10.637 20.669 -5.060 806 HG21 THR 108 1HG2 THR 108 8.918 22.544 -5.595 807 HG22 THR 108 2HG2 THR 108 7.471 21.933 -6.425 808 HG23 THR 108 3HG2 THR 108 9.035 21.936 -7.261 809 H ARG 109 H ARG 109 7.282 21.198 -2.165 810 HA ARG 109 HA ARG 109 9.023 23.418 -1.806 811 HB2 ARG 109 1HB ARG 109 6.850 23.113 -0.571 812 HB3 ARG 109 2HB ARG 109 7.626 21.860 0.405 813 HG2 ARG 109 1HG ARG 109 9.308 23.550 1.189 814 HG3 ARG 109 2HG ARG 109 8.455 24.792 0.260 815 HD2 ARG 109 1HD ARG 109 7.794 24.965 2.573 816 HD3 ARG 109 2HD ARG 109 6.422 24.366 1.637 817 HE ARG 109 HE ARG 109 6.515 22.342 2.761 818 HH11 ARG 109 1HH1 ARG 109 9.428 24.186 3.649 819 HH12 ARG 109 2HH1 ARG 109 9.794 23.089 4.947 820 HH21 ARG 109 1HH2 ARG 109 7.050 21.060 4.418 821 HH22 ARG 109 2HH2 ARG 109 8.497 21.339 5.366 822 H ASN 110 H ASN 110 11.107 23.521 -1.323 823 HA ASN 110 HA ASN 110 12.444 21.096 -0.284 824 HB2 ASN 110 1HB ASN 110 13.379 23.710 -1.485 825 HB3 ASN 110 2HB ASN 110 14.487 22.714 -0.536 826 HD21 ASN 110 1HD2 ASN 110 14.801 21.799 -4.123 827 HD22 ASN 110 2HD2 ASN 110 14.962 23.275 -3.206 828 HA PRO 111 HA PRO 111 11.777 23.128 3.621 829 HB2 PRO 111 1HB PRO 111 12.878 21.305 5.324 830 HB3 PRO 111 2HB PRO 111 11.314 21.021 4.493 831 HG2 PRO 111 1HG PRO 111 14.060 20.079 3.715 832 HG3 PRO 111 2HG PRO 111 12.545 19.133 3.875 833 HD2 PRO 111 1HD PRO 111 13.419 20.041 1.483 834 HD3 PRO 111 2HD PRO 111 11.669 19.991 1.872 835 H ALA 112 H ALA 112 14.834 22.285 2.256 836 HA ALA 112 HA ALA 112 16.488 23.549 4.276 837 HB1 ALA 112 1HB ALA 112 17.354 21.788 2.746 838 HB2 ALA 112 2HB ALA 112 18.261 23.307 2.561 839 HB3 ALA 112 3HB ALA 112 17.044 22.853 1.345 840 H ASN 113 H ASN 113 14.625 24.581 1.506 841 HA ASN 113 HA ASN 113 16.077 27.177 1.405 842 HB2 ASN 113 1HB ASN 113 14.113 25.899 -0.531 843 HB3 ASN 113 2HB ASN 113 14.913 27.457 -0.763 844 HD21 ASN 113 1HD2 ASN 113 16.710 24.641 -2.507 845 HD22 ASN 113 2HD2 ASN 113 15.020 25.084 -2.409 846 H ASN 114 H ASN 114 12.936 25.765 2.183 847 HA ASN 114 HA ASN 114 12.008 28.464 2.968 848 HB2 ASN 114 1HB ASN 114 11.135 28.303 0.759 849 HB3 ASN 114 2HB ASN 114 10.556 26.642 1.028 850 HD21 ASN 114 1HD2 ASN 114 7.546 27.662 2.378 851 HD22 ASN 114 2HD2 ASN 114 8.519 26.458 1.567 852 H ALA 115 H ALA 115 10.567 28.536 4.577 853 HA ALA 115 HA ALA 115 10.290 26.071 6.170 854 HB1 ALA 115 1HB ALA 115 11.006 28.180 7.254 855 HB2 ALA 115 2HB ALA 115 9.455 27.610 7.918 856 HB3 ALA 115 3HB ALA 115 9.480 28.954 6.754 857 H ALA 116 H ALA 116 8.300 25.242 6.880 858 HA ALA 116 HA ALA 116 6.135 25.352 5.002 859 HB1 ALA 116 1HB ALA 116 6.196 24.226 7.837 860 HB2 ALA 116 2HB ALA 116 6.651 23.334 6.367 861 HB3 ALA 116 3HB ALA 116 4.978 23.878 6.590 862 H ILE 117 H ILE 117 4.096 26.228 5.224 863 HA ILE 117 HA ILE 117 3.983 28.768 6.652 864 HB ILE 117 HB ILE 117 1.847 27.249 5.104 865 HG12 ILE 117 1HG1 ILE 117 3.257 29.582 3.894 866 HG13 ILE 117 2HG1 ILE 117 4.155 28.070 3.979 867 HG21 ILE 117 1HG2 ILE 117 0.851 29.021 6.496 868 HG22 ILE 117 2HG2 ILE 117 0.801 29.509 4.794 869 HG23 ILE 117 3HG2 ILE 117 2.032 30.203 5.876 870 HD11 ILE 117 1HD1 ILE 117 3.011 28.214 1.853 871 HD12 ILE 117 2HD1 ILE 117 1.450 28.443 2.676 872 HD13 ILE 117 3HD1 ILE 117 2.319 26.899 2.823 873 H VAL 118 H VAL 118 2.927 29.126 8.650 874 HA VAL 118 HA VAL 118 2.062 26.892 10.243 875 HB VAL 118 HB VAL 118 1.417 29.871 10.531 876 HG11 VAL 118 1HG1 VAL 118 0.917 29.300 12.899 877 HG12 VAL 118 2HG1 VAL 118 1.122 27.575 12.515 878 HG13 VAL 118 3HG1 VAL 118 -0.201 28.508 11.773 879 HG21 VAL 118 1HG2 VAL 118 3.564 28.134 11.837 880 HG22 VAL 118 2HG2 VAL 118 3.217 29.829 12.258 881 HG23 VAL 118 3HG2 VAL 118 3.839 29.428 10.646 882 H LEU 119 H LEU 119 0.284 25.724 9.952 883 HA LEU 119 HA LEU 119 -1.623 26.391 7.929 884 HB2 LEU 119 1HB LEU 119 -0.830 24.127 8.863 885 HB3 LEU 119 2HB LEU 119 -2.023 24.355 10.125 886 HG LEU 119 HG LEU 119 -2.726 24.326 7.159 887 HD11 LEU 119 1HD1 LEU 119 -2.940 21.985 9.093 888 HD12 LEU 119 2HD1 LEU 119 -1.546 22.223 8.011 889 HD13 LEU 119 3HD1 LEU 119 -3.162 21.998 7.326 890 HD21 LEU 119 1HD2 LEU 119 -4.972 23.534 8.159 891 HD22 LEU 119 2HD2 LEU 119 -4.558 25.237 8.384 892 HD23 LEU 119 3HD2 LEU 119 -4.356 24.102 9.721 893 H GLN 120 H GLN 120 -3.370 27.590 7.987 894 HA GLN 120 HA GLN 120 -4.777 28.111 10.574 895 HB2 GLN 120 1HB GLN 120 -4.029 30.088 8.396 896 HB3 GLN 120 2HB GLN 120 -5.168 30.434 9.705 897 HG2 GLN 120 1HG GLN 120 -3.503 30.492 11.322 898 HG3 GLN 120 2HG GLN 120 -2.392 29.527 10.350 899 HE21 GLN 120 1HE2 GLN 120 -1.003 32.223 8.616 900 HE22 GLN 120 2HE2 GLN 120 -1.154 30.481 8.740 901 H LEU 121 H LEU 121 -7.061 28.724 10.110 902 HA LEU 121 HA LEU 121 -7.960 27.567 7.501 903 HB2 LEU 121 1HB LEU 121 -9.075 27.316 10.287 904 HB3 LEU 121 2HB LEU 121 -10.147 27.208 8.897 905 HG LEU 121 HG LEU 121 -7.748 25.397 9.323 906 HD11 LEU 121 1HD1 LEU 121 -9.468 23.708 9.908 907 HD12 LEU 121 2HD1 LEU 121 -10.703 24.980 9.863 908 HD13 LEU 121 3HD1 LEU 121 -9.399 25.058 11.055 909 HD21 LEU 121 1HD2 LEU 121 -10.086 25.234 7.373 910 HD22 LEU 121 2HD2 LEU 121 -8.853 23.978 7.605 911 HD23 LEU 121 3HD2 LEU 121 -8.402 25.558 6.955 912 HA PRO 122 HA PRO 122 -9.560 31.536 6.752 913 HB2 PRO 122 1HB PRO 122 -11.490 31.059 4.895 914 HB3 PRO 122 2HB PRO 122 -9.749 30.742 4.567 915 HG2 PRO 122 1HG PRO 122 -11.876 28.824 5.491 916 HG3 PRO 122 2HG PRO 122 -10.765 28.679 4.091 917 HD2 PRO 122 1HD PRO 122 -10.212 27.498 6.435 918 HD3 PRO 122 2HD PRO 122 -8.915 28.257 5.445 919 H GLN 123 H GLN 123 -11.585 32.884 6.608 920 HA GLN 123 HA GLN 123 -12.975 32.826 9.038 921 HB2 GLN 123 1HB GLN 123 -12.716 34.776 7.502 922 HB3 GLN 123 2HB GLN 123 -13.869 34.032 6.388 923 HG2 GLN 123 1HG GLN 123 -15.637 34.190 8.084 924 HG3 GLN 123 2HG GLN 123 -14.486 34.890 9.236 925 HE21 GLN 123 1HE2 GLN 123 -16.451 37.279 6.742 926 HE22 GLN 123 2HE2 GLN 123 -16.890 35.625 7.093 927 H GLY 124 H GLY 124 -14.683 31.767 9.811 928 HA2 GLY 124 1HA GLY 124 -16.795 30.737 9.724 929 HA3 GLY 124 2HA GLY 124 -16.660 30.588 7.967 930 H THR 125 H THR 125 -13.761 29.478 8.627 931 HA THR 125 HA THR 125 -14.748 26.696 9.107 932 HB THR 125 HB THR 125 -12.155 27.552 7.758 933 HG1 THR 125 HG1 THR 125 -14.050 28.238 6.607 934 HG21 THR 125 1HG2 THR 125 -12.209 25.279 6.853 935 HG22 THR 125 2HG2 THR 125 -13.718 24.942 7.714 936 HG23 THR 125 3HG2 THR 125 -12.236 25.226 8.621 937 H THR 126 H THR 126 -14.102 25.699 10.925 938 HA THR 126 HA THR 126 -11.857 26.916 12.472 939 HB THR 126 HB THR 126 -13.226 26.067 14.504 940 HG1 THR 126 HG1 THR 126 -15.494 26.553 12.961 941 HG21 THR 126 1HG2 THR 126 -14.540 28.138 14.600 942 HG22 THR 126 2HG2 THR 126 -14.289 28.395 12.857 943 HG23 THR 126 3HG2 THR 126 -12.906 28.452 13.976 944 H LEU 127 H LEU 127 -10.569 25.522 13.660 945 HA LEU 127 HA LEU 127 -10.266 22.858 12.594 946 HB2 LEU 127 1HB LEU 127 -9.231 24.106 15.145 947 HB3 LEU 127 2HB LEU 127 -8.751 22.532 14.584 948 HG LEU 127 HG LEU 127 -8.193 25.066 13.023 949 HD11 LEU 127 1HD1 LEU 127 -5.900 24.886 13.908 950 HD12 LEU 127 2HD1 LEU 127 -6.406 23.530 14.946 951 HD13 LEU 127 3HD1 LEU 127 -7.077 25.155 15.213 952 HD21 LEU 127 1HD2 LEU 127 -8.182 22.937 11.730 953 HD22 LEU 127 2HD2 LEU 127 -7.012 22.256 12.880 954 HD23 LEU 127 3HD2 LEU 127 -6.563 23.643 11.859 955 HA PRO 128 HA PRO 128 -13.282 21.036 15.173 956 HB2 PRO 128 1HB PRO 128 -12.525 18.424 15.317 957 HB3 PRO 128 2HB PRO 128 -13.089 19.170 13.790 958 HG2 PRO 128 1HG PRO 128 -10.316 18.630 14.728 959 HG3 PRO 128 2HG PRO 128 -11.046 18.353 13.125 960 HD2 PRO 128 1HD PRO 128 -9.477 20.530 13.777 961 HD3 PRO 128 2HD PRO 128 -10.721 20.576 12.497 962 H LYS 129 H LYS 129 -13.594 19.849 17.252 963 HA LYS 129 HA LYS 129 -12.042 21.023 19.324 964 HB2 LYS 129 1HB LYS 129 -14.385 20.180 19.512 965 HB3 LYS 129 2HB LYS 129 -13.771 18.526 19.405 966 HG2 LYS 129 1HG LYS 129 -12.576 18.787 21.517 967 HG3 LYS 129 2HG LYS 129 -13.019 20.505 21.583 968 HD2 LYS 129 1HD LYS 129 -14.517 19.344 23.042 969 HD3 LYS 129 2HD LYS 129 -15.438 19.811 21.600 970 HE2 LYS 129 1HE LYS 129 -15.126 17.497 20.686 971 HE3 LYS 129 2HE LYS 129 -14.271 17.048 22.175 972 HZ1 LYS 129 1HZ LYS 129 -17.084 17.976 22.023 973 HZ2 LYS 129 2HZ LYS 129 -16.297 17.543 23.407 974 HZ3 LYS 129 3HZ LYS 129 -16.605 16.414 22.242 975 H GLY 130 H GLY 130 -10.092 20.480 20.142 976 HA2 GLY 130 1HA GLY 130 -8.468 18.971 20.946 977 HA3 GLY 130 2HA GLY 130 -9.228 17.667 20.037 978 H PHE 131 H PHE 131 -8.396 20.742 18.464 979 HA PHE 131 HA PHE 131 -5.924 19.505 17.380 980 HB2 PHE 131 1HB PHE 131 -8.403 20.211 15.914 981 HB3 PHE 131 2HB PHE 131 -6.903 20.809 15.202 982 HD1 PHE 131 HD1 PHE 131 -5.248 19.330 14.299 983 HD2 PHE 131 HD2 PHE 131 -8.815 17.764 16.099 984 HE1 PHE 131 HE1 PHE 131 -4.788 17.119 13.257 985 HE2 PHE 131 HE2 PHE 131 -8.374 15.545 15.051 986 HZ PHE 131 HZ PHE 131 -6.358 15.231 13.626 987 H TYR 132 H TYR 132 -4.337 20.938 16.764 988 HA TYR 132 HA TYR 132 -4.885 23.816 16.657 989 HB2 TYR 132 1HB TYR 132 -3.237 24.453 18.331 990 HB3 TYR 132 2HB TYR 132 -4.553 23.542 19.065 991 HD1 TYR 132 HD1 TYR 132 -0.945 23.568 18.277 992 HD2 TYR 132 HD2 TYR 132 -4.166 21.240 19.944 993 HE1 TYR 132 HE1 TYR 132 0.704 22.060 19.384 994 HE2 TYR 132 HE2 TYR 132 -2.504 19.744 21.045 995 HH TYR 132 HH TYR 132 -0.301 19.321 21.439 996 H ALA 133 H ALA 133 -2.756 24.963 15.999 997 HA ALA 133 HA ALA 133 -1.476 23.153 14.032 998 HB1 ALA 133 1HB ALA 133 -2.680 25.137 13.179 999 HB2 ALA 133 2HB ALA 133 -0.946 25.199 12.795 1000 HB3 ALA 133 3HB ALA 133 -1.597 26.189 14.119 1001 H GLU 134 H GLU 134 0.635 22.881 13.743 1002 HA GLU 134 HA GLU 134 2.467 23.392 15.912 1003 HB2 GLU 134 1HB GLU 134 2.829 21.479 14.546 1004 HB3 GLU 134 2HB GLU 134 2.630 22.401 13.068 1005 HG2 GLU 134 1HG GLU 134 4.796 23.497 13.424 1006 HG3 GLU 134 2HG GLU 134 5.010 22.559 14.922 1007 H GLY 135 H GLY 135 3.992 25.013 16.104 1008 HA2 GLY 135 1HA GLY 135 5.241 26.888 15.418 1009 HA3 GLY 135 2HA GLY 135 4.276 26.992 13.937 1010 H SER 136 H SER 136 1.678 26.875 15.310 1011 HA SER 136 HA SER 136 1.444 29.704 15.897 1012 HB2 SER 136 1HB SER 136 -0.358 28.313 14.830 1013 HB3 SER 136 2HB SER 136 -0.585 27.488 16.385 1014 HG SER 136 HG SER 136 -2.032 29.232 16.143 1015 H ARG 137 H ARG 137 2.434 30.404 17.675 1016 HA ARG 137 HA ARG 137 3.150 30.611 19.834 1017 HB2 ARG 137 1HB ARG 137 0.496 30.785 19.847 1018 HB3 ARG 137 2HB ARG 137 0.637 29.362 20.871 1019 HG2 ARG 137 1HG ARG 137 2.197 31.912 21.376 1020 HG3 ARG 137 2HG ARG 137 0.555 31.674 22.002 1021 HD2 ARG 137 1HD ARG 137 1.401 29.575 23.148 1022 HD3 ARG 137 2HD ARG 137 3.033 30.052 22.664 1023 HE ARG 137 HE ARG 137 3.009 31.816 24.201 1024 HH11 ARG 137 1HH1 ARG 137 -0.105 30.148 24.251 1025 HH12 ARG 137 2HH1 ARG 137 -0.587 30.897 25.750 1026 HH21 ARG 137 1HH2 ARG 137 2.329 32.724 26.109 1027 HH22 ARG 137 2HH2 ARG 137 0.770 32.330 26.780 1028 H GLY 138 H GLY 138 4.219 28.500 18.625 1029 HA2 GLY 138 1HA GLY 138 3.937 26.129 20.357 1030 HA3 GLY 138 2HA GLY 138 4.939 26.263 18.906 1031 H GLY 139 H GLY 139 6.361 28.635 19.617 1032 HA2 GLY 139 1HA GLY 139 7.887 27.750 22.019 1033 HA3 GLY 139 2HA GLY 139 8.706 28.089 20.480 1034 H SER 140 H SER 140 9.845 29.665 21.968 1035 HA SER 140 HA SER 140 8.676 32.330 21.603 1036 HB2 SER 140 1HB SER 140 7.838 31.677 23.871 1037 HB3 SER 140 2HB SER 140 9.505 31.273 24.345 1038 HG SER 140 HG SER 140 9.917 33.559 23.561 Start of MODEL 21 1 H1 GLY 1 1H GLY 1 12.808 -3.204 4.319 2 H2 GLY 1 2H GLY 1 12.464 -2.820 2.751 3 H3 GLY 1 3H GLY 1 11.266 -2.808 3.883 4 HA2 GLY 1 1HA GLY 1 12.310 -0.984 5.048 5 HA3 GLY 1 2HA GLY 1 13.580 -0.990 3.807 6 H ALA 2 H ALA 2 12.998 1.261 3.260 7 HA ALA 2 HA ALA 2 10.333 1.764 2.178 8 HB1 ALA 2 1HB ALA 2 11.774 3.604 3.101 9 HB2 ALA 2 2HB ALA 2 11.344 3.890 1.399 10 HB3 ALA 2 3HB ALA 2 12.967 3.292 1.813 11 H MET 3 H MET 3 9.874 1.910 -0.117 12 HA MET 3 HA MET 3 11.869 0.530 -1.857 13 HB2 MET 3 1HB MET 3 10.065 -0.710 -2.899 14 HB3 MET 3 2HB MET 3 9.989 -0.971 -1.151 15 HG2 MET 3 1HG MET 3 8.204 0.779 -1.006 16 HG3 MET 3 2HG MET 3 8.246 0.921 -2.771 17 HE1 MET 3 1HE MET 3 4.901 -0.893 -2.638 18 HE2 MET 3 2HE MET 3 5.882 0.386 -3.393 19 HE3 MET 3 3HE MET 3 5.471 0.483 -1.666 20 H GLY 4 H GLY 4 10.659 3.373 -1.268 21 HA2 GLY 4 1HA GLY 4 10.915 4.474 -3.854 22 HA3 GLY 4 2HA GLY 4 9.185 4.279 -3.431 23 H LEU 5 H LEU 5 11.617 6.399 -3.296 24 HA LEU 5 HA LEU 5 10.506 7.763 -0.905 25 HB2 LEU 5 1HB LEU 5 13.389 7.509 -1.809 26 HB3 LEU 5 2HB LEU 5 12.847 8.727 -0.676 27 HG LEU 5 HG LEU 5 12.633 5.740 -0.194 28 HD11 LEU 5 1HD1 LEU 5 14.528 6.062 1.347 29 HD12 LEU 5 2HD1 LEU 5 14.641 7.772 0.862 30 HD13 LEU 5 3HD1 LEU 5 14.974 6.483 -0.319 31 HD21 LEU 5 1HD2 LEU 5 12.270 6.458 2.182 32 HD22 LEU 5 2HD2 LEU 5 10.963 6.960 1.094 33 HD23 LEU 5 3HD2 LEU 5 12.182 8.146 1.626 34 HA PRO 6 HA PRO 6 10.130 10.906 -4.024 35 HB2 PRO 6 1HB PRO 6 9.513 13.087 -2.539 36 HB3 PRO 6 2HB PRO 6 8.370 11.718 -2.676 37 HG2 PRO 6 1HG PRO 6 10.346 12.316 -0.491 38 HG3 PRO 6 2HG PRO 6 8.597 11.942 -0.356 39 HD2 PRO 6 1HD PRO 6 10.528 10.047 -0.019 40 HD3 PRO 6 2HD PRO 6 8.935 9.665 -0.761 41 H ASN 7 H ASN 7 11.223 12.925 -4.734 42 HA ASN 7 HA ASN 7 14.007 13.008 -4.061 43 HB2 ASN 7 1HB ASN 7 12.979 13.828 -6.216 44 HB3 ASN 7 2HB ASN 7 12.331 15.214 -5.327 45 HD21 ASN 7 1HD2 ASN 7 15.213 17.013 -5.980 46 HD22 ASN 7 2HD2 ASN 7 13.471 16.942 -5.911 47 H ASN 8 H ASN 8 11.167 14.782 -2.915 48 HA ASN 8 HA ASN 8 12.414 15.369 -0.402 49 HB2 ASN 8 1HB ASN 8 13.423 17.171 -1.928 50 HB3 ASN 8 2HB ASN 8 11.814 17.868 -2.040 51 HD21 ASN 8 1HD2 ASN 8 14.147 18.481 1.162 52 HD22 ASN 8 2HD2 ASN 8 14.668 17.610 -0.259 53 H THR 9 H THR 9 10.095 17.237 -2.343 54 HA THR 9 HA THR 9 7.980 17.922 -1.918 55 HB THR 9 HB THR 9 6.298 16.134 -1.803 56 HG1 THR 9 HG1 THR 9 7.838 14.737 -0.553 57 HG21 THR 9 1HG2 THR 9 6.855 15.114 -3.965 58 HG22 THR 9 2HG2 THR 9 8.552 15.598 -3.783 59 HG23 THR 9 3HG2 THR 9 7.286 16.837 -3.973 60 H ALA 10 H ALA 10 8.445 19.079 0.028 61 HA ALA 10 HA ALA 10 7.340 17.822 2.474 62 HB1 ALA 10 1HB ALA 10 9.606 18.911 2.565 63 HB2 ALA 10 2HB ALA 10 8.420 19.644 3.670 64 HB3 ALA 10 3HB ALA 10 8.835 20.458 2.141 65 H SER 11 H SER 11 5.608 18.733 3.532 66 HA SER 11 HA SER 11 3.585 20.017 1.992 67 HB2 SER 11 1HB SER 11 2.463 20.332 4.204 68 HB3 SER 11 2HB SER 11 3.063 18.678 3.976 69 HG SER 11 HG SER 11 3.876 20.642 5.762 70 H TRP 12 H TRP 12 2.868 22.166 1.934 71 HA TRP 12 HA TRP 12 4.871 24.180 2.266 72 HB2 TRP 12 1HB TRP 12 2.054 24.053 1.369 73 HB3 TRP 12 2HB TRP 12 2.583 25.604 2.047 74 HD1 TRP 12 HD1 TRP 12 2.934 23.477 -1.027 75 HE1 TRP 12 HE1 TRP 12 4.400 24.588 -2.762 76 HE3 TRP 12 HE3 TRP 12 4.728 27.239 1.920 77 HZ2 TRP 12 HZ2 TRP 12 6.195 26.813 -2.858 78 HZ3 TRP 12 HZ3 TRP 12 6.347 28.871 0.928 79 HH2 TRP 12 HH2 TRP 12 7.086 28.631 -1.440 80 H PHE 13 H PHE 13 2.524 22.863 4.421 81 HA PHE 13 HA PHE 13 2.840 25.222 6.203 82 HB2 PHE 13 1HB PHE 13 0.488 23.326 6.073 83 HB3 PHE 13 2HB PHE 13 0.580 24.877 6.920 84 HD1 PHE 13 HD1 PHE 13 -0.089 23.178 3.781 85 HD2 PHE 13 HD2 PHE 13 0.650 26.996 5.596 86 HE1 PHE 13 HE1 PHE 13 -0.911 24.306 1.732 87 HE2 PHE 13 HE2 PHE 13 -0.131 28.132 3.531 88 HZ PHE 13 HZ PHE 13 -0.875 26.768 1.586 89 H THR 14 H THR 14 2.511 24.833 8.462 90 HA THR 14 HA THR 14 4.017 22.553 9.417 91 HB THR 14 HB THR 14 3.384 23.381 11.662 92 HG1 THR 14 HG1 THR 14 1.995 25.094 11.886 93 HG21 THR 14 1HG2 THR 14 4.438 25.589 11.564 94 HG22 THR 14 2HG2 THR 14 4.192 25.652 9.808 95 HG23 THR 14 3HG2 THR 14 5.297 24.447 10.509 96 H ALA 15 H ALA 15 3.048 21.074 11.092 97 HA ALA 15 HA ALA 15 0.730 19.848 9.865 98 HB1 ALA 15 1HB ALA 15 2.784 18.685 10.797 99 HB2 ALA 15 2HB ALA 15 1.214 18.013 11.261 100 HB3 ALA 15 3HB ALA 15 2.129 19.023 12.410 101 H LEU 16 H LEU 16 -1.227 19.360 10.812 102 HA LEU 16 HA LEU 16 -2.091 21.042 13.105 103 HB2 LEU 16 1HB LEU 16 -3.426 18.946 11.343 104 HB3 LEU 16 2HB LEU 16 -4.169 19.549 12.809 105 HG LEU 16 HG LEU 16 -3.523 21.203 10.376 106 HD11 LEU 16 1HD1 LEU 16 -5.972 21.288 10.120 107 HD12 LEU 16 2HD1 LEU 16 -6.168 20.250 11.554 108 HD13 LEU 16 3HD1 LEU 16 -5.397 19.609 10.086 109 HD21 LEU 16 1HD2 LEU 16 -4.923 22.925 11.595 110 HD22 LEU 16 2HD2 LEU 16 -3.326 22.620 12.295 111 HD23 LEU 16 3HD2 LEU 16 -4.780 21.916 13.050 112 H THR 17 H THR 17 -2.496 20.073 15.144 113 HA THR 17 HA THR 17 -1.387 17.297 15.420 114 HB THR 17 HB THR 17 -1.258 19.567 17.445 115 HG1 THR 17 HG1 THR 17 0.157 19.941 15.733 116 HG21 THR 17 1HG2 THR 17 -1.282 17.424 18.555 117 HG22 THR 17 2HG2 THR 17 0.391 18.021 18.538 118 HG23 THR 17 3HG2 THR 17 -0.108 16.752 17.394 119 H GLN 18 H GLN 18 -2.714 15.844 16.283 120 HA GLN 18 HA GLN 18 -5.423 16.724 17.014 121 HB2 GLN 18 1HB GLN 18 -4.872 14.690 15.585 122 HB3 GLN 18 2HB GLN 18 -4.223 13.922 17.030 123 HG2 GLN 18 1HG GLN 18 -6.984 14.990 17.322 124 HG3 GLN 18 2HG GLN 18 -6.808 13.700 16.129 125 HE21 GLN 18 1HE2 GLN 18 -7.188 11.337 18.634 126 HE22 GLN 18 2HE2 GLN 18 -7.692 11.985 17.079 127 H HIS 19 H HIS 19 -6.158 16.959 19.045 128 HA HIS 19 HA HIS 19 -4.912 15.290 21.180 129 HB2 HIS 19 1HB HIS 19 -3.934 17.574 21.391 130 HB3 HIS 19 2HB HIS 19 -5.557 18.270 21.381 131 HD1 HIS 19 HD1 HIS 19 -4.843 19.281 23.795 132 HD2 HIS 19 HD2 HIS 19 -5.265 15.140 23.583 133 HE1 HIS 19 HE1 HIS 19 -5.000 18.435 26.174 134 H GLY 20 H GLY 20 -6.734 13.923 21.032 135 HA2 GLY 20 1HA GLY 20 -9.144 14.606 22.275 136 HA3 GLY 20 2HA GLY 20 -9.351 15.041 20.572 137 H LYS 21 H LYS 21 -10.621 13.525 19.652 138 HA LYS 21 HA LYS 21 -9.883 10.678 20.131 139 HB2 LYS 21 1HB LYS 21 -12.596 11.994 20.260 140 HB3 LYS 21 2HB LYS 21 -12.390 10.266 19.983 141 HG2 LYS 21 1HG LYS 21 -10.974 10.197 22.088 142 HG3 LYS 21 2HG LYS 21 -11.530 11.849 22.414 143 HD2 LYS 21 1HD LYS 21 -13.873 11.063 22.386 144 HD3 LYS 21 2HD LYS 21 -13.313 9.407 22.069 145 HE2 LYS 21 1HE LYS 21 -12.607 11.072 24.526 146 HE3 LYS 21 2HE LYS 21 -13.838 9.794 24.475 147 HZ1 LYS 21 1HZ LYS 21 -11.732 8.975 25.352 148 HZ2 LYS 21 2HZ LYS 21 -10.938 9.394 23.966 149 HZ3 LYS 21 3HZ LYS 21 -12.086 8.208 23.934 150 H GLU 22 H GLU 22 -11.513 12.899 17.797 151 HA GLU 22 HA GLU 22 -11.846 10.726 15.895 152 HB2 GLU 22 1HB GLU 22 -12.438 12.497 14.307 153 HB3 GLU 22 2HB GLU 22 -13.342 12.644 15.805 154 HG2 GLU 22 1HG GLU 22 -11.950 14.490 16.541 155 HG3 GLU 22 2HG GLU 22 -10.872 14.272 15.147 156 H ASP 23 H ASP 23 -10.808 10.786 13.738 157 HA ASP 23 HA ASP 23 -7.928 10.958 14.043 158 HB2 ASP 23 1HB ASP 23 -9.779 9.726 12.253 159 HB3 ASP 23 2HB ASP 23 -8.761 10.786 11.270 160 H LEU 24 H LEU 24 -10.164 12.524 11.743 161 HA LEU 24 HA LEU 24 -9.772 15.212 12.383 162 HB2 LEU 24 1HB LEU 24 -7.432 15.027 11.563 163 HB3 LEU 24 2HB LEU 24 -7.999 14.291 10.072 164 HG LEU 24 HG LEU 24 -9.063 16.391 9.403 165 HD11 LEU 24 1HD1 LEU 24 -9.645 17.351 11.591 166 HD12 LEU 24 2HD1 LEU 24 -8.687 18.485 10.632 167 HD13 LEU 24 3HD1 LEU 24 -7.926 17.581 11.960 168 HD21 LEU 24 1HD2 LEU 24 -7.034 17.694 9.026 169 HD22 LEU 24 2HD2 LEU 24 -6.710 15.960 8.830 170 HD23 LEU 24 3HD2 LEU 24 -6.199 16.796 10.315 171 H LYS 25 H LYS 25 -11.514 16.204 11.311 172 HA LYS 25 HA LYS 25 -12.316 15.088 8.694 173 HB2 LYS 25 1HB LYS 25 -13.450 13.884 10.705 174 HB3 LYS 25 2HB LYS 25 -14.396 15.361 10.888 175 HG2 LYS 25 1HG LYS 25 -14.244 13.965 8.215 176 HG3 LYS 25 2HG LYS 25 -15.307 13.333 9.483 177 HD2 LYS 25 1HD LYS 25 -16.509 15.447 9.604 178 HD3 LYS 25 2HD LYS 25 -15.393 16.173 8.441 179 HE2 LYS 25 1HE LYS 25 -16.064 14.335 6.817 180 HE3 LYS 25 2HE LYS 25 -17.396 13.970 7.943 181 HZ1 LYS 25 1HZ LYS 25 -18.080 16.301 7.720 182 HZ2 LYS 25 2HZ LYS 25 -18.089 15.542 6.255 183 HZ3 LYS 25 3HZ LYS 25 -16.860 16.580 6.639 184 H PHE 26 H PHE 26 -12.833 16.707 7.330 185 HA PHE 26 HA PHE 26 -13.720 19.292 8.546 186 HB2 PHE 26 1HB PHE 26 -12.068 18.679 6.086 187 HB3 PHE 26 2HB PHE 26 -12.909 20.218 6.276 188 HD1 PHE 26 HD1 PHE 26 -9.724 19.055 6.448 189 HD2 PHE 26 HD2 PHE 26 -12.599 20.995 9.025 190 HE1 PHE 26 HE1 PHE 26 -7.893 19.926 7.870 191 HE2 PHE 26 HE2 PHE 26 -10.754 21.898 10.397 192 HZ PHE 26 HZ PHE 26 -8.393 21.355 9.831 193 HA PRO 27 HA PRO 27 -17.525 18.851 6.358 194 HB2 PRO 27 1HB PRO 27 -18.225 21.471 5.863 195 HB3 PRO 27 2HB PRO 27 -18.311 20.718 7.485 196 HG2 PRO 27 1HG PRO 27 -16.248 22.468 6.343 197 HG3 PRO 27 2HG PRO 27 -16.985 22.489 7.950 198 HD2 PRO 27 1HD PRO 27 -14.532 21.434 7.423 199 HD3 PRO 27 2HD PRO 27 -15.607 20.811 8.721 200 H ARG 28 H ARG 28 -18.597 19.236 4.235 201 HA ARG 28 HA ARG 28 -16.690 18.839 2.104 202 HB2 ARG 28 1HB ARG 28 -19.058 17.861 2.350 203 HB3 ARG 28 2HB ARG 28 -19.662 19.445 1.869 204 HG2 ARG 28 1HG ARG 28 -19.730 18.230 -0.111 205 HG3 ARG 28 2HG ARG 28 -18.205 19.118 -0.273 206 HD2 ARG 28 1HD ARG 28 -16.935 17.144 0.395 207 HD3 ARG 28 2HD ARG 28 -18.431 16.275 0.795 208 HE ARG 28 HE ARG 28 -18.528 17.112 -1.930 209 HH11 ARG 28 1HH1 ARG 28 -16.873 14.720 0.079 210 HH12 ARG 28 2HH1 ARG 28 -16.688 13.603 -1.244 211 HH21 ARG 28 1HH2 ARG 28 -18.242 15.635 -3.571 212 HH22 ARG 28 2HH2 ARG 28 -17.437 14.119 -3.273 213 H GLY 29 H GLY 29 -15.892 20.286 0.612 214 HA2 GLY 29 1HA GLY 29 -15.748 22.239 -0.642 215 HA3 GLY 29 2HA GLY 29 -17.268 22.797 0.081 216 H GLN 30 H GLN 30 -14.908 21.706 2.316 217 HA GLN 30 HA GLN 30 -13.793 24.388 2.831 218 HB2 GLN 30 1HB GLN 30 -15.996 23.072 4.298 219 HB3 GLN 30 2HB GLN 30 -14.652 23.563 5.322 220 HG2 GLN 30 1HG GLN 30 -14.870 25.864 4.509 221 HG3 GLN 30 2HG GLN 30 -16.261 25.368 3.522 222 HE21 GLN 30 1HE2 GLN 30 -16.652 25.971 7.514 223 HE22 GLN 30 2HE2 GLN 30 -15.090 26.110 6.709 224 H GLY 31 H GLY 31 -12.300 24.210 4.777 225 HA2 GLY 31 1HA GLY 31 -11.138 22.766 6.329 226 HA3 GLY 31 2HA GLY 31 -11.319 21.424 5.192 227 H VAL 32 H VAL 32 -10.643 23.549 3.036 228 HA VAL 32 HA VAL 32 -7.850 22.916 2.843 229 HB VAL 32 HB VAL 32 -9.503 25.117 1.483 230 HG11 VAL 32 1HG1 VAL 32 -7.700 25.045 -0.215 231 HG12 VAL 32 2HG1 VAL 32 -6.752 24.027 0.871 232 HG13 VAL 32 3HG1 VAL 32 -7.193 25.687 1.332 233 HG21 VAL 32 1HG2 VAL 32 -9.559 23.577 -0.446 234 HG22 VAL 32 2HG2 VAL 32 -10.349 22.862 0.973 235 HG23 VAL 32 3HG2 VAL 32 -8.709 22.344 0.507 236 HA PRO 33 HA PRO 33 -6.623 26.101 5.713 237 HB2 PRO 33 1HB PRO 33 -3.920 25.863 5.451 238 HB3 PRO 33 2HB PRO 33 -4.919 24.634 6.286 239 HG2 PRO 33 1HG PRO 33 -3.854 24.632 3.520 240 HG3 PRO 33 2HG PRO 33 -3.858 23.332 4.730 241 HD2 PRO 33 1HD PRO 33 -5.647 23.447 2.739 242 HD3 PRO 33 2HD PRO 33 -6.028 22.746 4.348 243 H ILE 34 H ILE 34 -5.220 28.122 5.632 244 HA ILE 34 HA ILE 34 -5.846 29.534 3.187 245 HB ILE 34 HB ILE 34 -4.094 30.342 5.533 246 HG12 ILE 34 1HG1 ILE 34 -6.936 31.097 4.786 247 HG13 ILE 34 2HG1 ILE 34 -6.496 29.916 6.019 248 HG21 ILE 34 1HG2 ILE 34 -4.218 32.626 4.653 249 HG22 ILE 34 2HG2 ILE 34 -5.245 32.086 3.300 250 HG23 ILE 34 3HG2 ILE 34 -3.543 31.579 3.402 251 HD11 ILE 34 1HD1 ILE 34 -7.014 31.942 7.109 252 HD12 ILE 34 2HD1 ILE 34 -5.937 32.862 6.045 253 HD13 ILE 34 3HD1 ILE 34 -5.263 31.701 7.213 254 H ASN 35 H ASN 35 -4.897 29.078 1.423 255 HA ASN 35 HA ASN 35 -2.057 28.251 1.447 256 HB2 ASN 35 1HB ASN 35 -4.118 28.104 -0.762 257 HB3 ASN 35 2HB ASN 35 -2.453 27.544 -0.885 258 HD21 ASN 35 1HD2 ASN 35 -4.854 24.767 -0.047 259 HD22 ASN 35 2HD2 ASN 35 -4.933 26.073 -1.199 260 H THR 36 H THR 36 -1.175 30.287 1.834 261 HA THR 36 HA THR 36 -1.712 32.614 0.252 262 HB THR 36 HB THR 36 0.417 33.444 1.236 263 HG1 THR 36 HG1 THR 36 1.712 32.038 2.374 264 HG21 THR 36 1HG2 THR 36 -0.182 33.264 3.563 265 HG22 THR 36 2HG2 THR 36 -1.083 31.761 3.272 266 HG23 THR 36 3HG2 THR 36 -1.692 33.308 2.628 267 H ASN 37 H ASN 37 0.012 29.783 -0.429 268 HA ASN 37 HA ASN 37 1.662 31.084 -2.547 269 HB2 ASN 37 1HB ASN 37 3.026 29.040 -2.458 270 HB3 ASN 37 2HB ASN 37 2.884 29.765 -0.852 271 HD21 ASN 37 1HD2 ASN 37 1.214 27.056 0.599 272 HD22 ASN 37 2HD2 ASN 37 1.755 28.713 0.764 273 H SER 38 H SER 38 -1.332 30.300 -2.724 274 HA SER 38 HA SER 38 -0.999 28.648 -5.180 275 HB2 SER 38 1HB SER 38 -3.030 28.066 -3.008 276 HB3 SER 38 2HB SER 38 -2.751 27.130 -4.477 277 HG SER 38 HG SER 38 -0.427 27.284 -3.343 278 H SER 39 H SER 39 -2.537 28.850 -6.759 279 HA SER 39 HA SER 39 -4.157 31.279 -6.795 280 HB2 SER 39 1HB SER 39 -4.552 29.017 -8.734 281 HB3 SER 39 2HB SER 39 -4.406 30.760 -9.049 282 HG SER 39 HG SER 39 -2.460 28.783 -8.849 283 HA PRO 40 HA PRO 40 -7.824 29.507 -5.244 284 HB2 PRO 40 1HB PRO 40 -9.897 30.042 -6.947 285 HB3 PRO 40 2HB PRO 40 -9.102 31.295 -5.935 286 HG2 PRO 40 1HG PRO 40 -8.562 30.611 -8.810 287 HG3 PRO 40 2HG PRO 40 -8.928 32.208 -8.079 288 HD2 PRO 40 1HD PRO 40 -6.391 31.463 -8.549 289 HD3 PRO 40 2HD PRO 40 -6.815 32.339 -7.035 290 H ASP 41 H ASP 41 -7.144 28.783 -8.634 291 HA ASP 41 HA ASP 41 -8.623 26.381 -8.962 292 HB2 ASP 41 1HB ASP 41 -5.863 27.067 -10.054 293 HB3 ASP 41 2HB ASP 41 -7.044 25.975 -10.784 294 H ASP 42 H ASP 42 -5.761 27.124 -7.158 295 HA ASP 42 HA ASP 42 -4.816 24.338 -7.195 296 HB2 ASP 42 1HB ASP 42 -3.596 26.938 -6.305 297 HB3 ASP 42 2HB ASP 42 -2.820 25.379 -6.053 298 H GLN 43 H GLN 43 -6.862 26.075 -5.233 299 HA GLN 43 HA GLN 43 -5.869 25.577 -2.627 300 HB2 GLN 43 1HB GLN 43 -8.717 25.737 -3.648 301 HB3 GLN 43 2HB GLN 43 -8.248 25.836 -1.956 302 HG2 GLN 43 1HG GLN 43 -7.517 27.772 -4.140 303 HG3 GLN 43 2HG GLN 43 -8.640 28.063 -2.814 304 HE21 GLN 43 1HE2 GLN 43 -4.792 28.949 -2.436 305 HE22 GLN 43 2HE2 GLN 43 -5.632 28.673 -3.940 306 H ILE 44 H ILE 44 -7.469 23.359 -4.820 307 HA ILE 44 HA ILE 44 -8.497 21.518 -2.952 308 HB ILE 44 HB ILE 44 -9.066 21.597 -5.332 309 HG12 ILE 44 1HG1 ILE 44 -7.927 18.880 -4.683 310 HG13 ILE 44 2HG1 ILE 44 -9.390 19.536 -3.941 311 HG21 ILE 44 1HG2 ILE 44 -7.509 20.575 -7.008 312 HG22 ILE 44 2HG2 ILE 44 -6.244 20.589 -5.783 313 HG23 ILE 44 3HG2 ILE 44 -6.969 22.115 -6.346 314 HD11 ILE 44 1HD1 ILE 44 -10.075 18.156 -5.769 315 HD12 ILE 44 2HD1 ILE 44 -8.910 18.914 -6.866 316 HD13 ILE 44 3HD1 ILE 44 -10.328 19.844 -6.277 317 H GLY 45 H GLY 45 -7.804 19.716 -1.905 318 HA2 GLY 45 1HA GLY 45 -5.318 18.421 -2.390 319 HA3 GLY 45 2HA GLY 45 -5.080 19.632 -1.125 320 H TYR 46 H TYR 46 -4.565 17.892 0.311 321 HA TYR 46 HA TYR 46 -6.977 16.933 1.675 322 HB2 TYR 46 1HB TYR 46 -6.382 14.596 1.604 323 HB3 TYR 46 2HB TYR 46 -6.506 15.182 -0.049 324 HD1 TYR 46 HD1 TYR 46 -4.423 15.528 -1.412 325 HD2 TYR 46 HD2 TYR 46 -4.341 13.847 2.545 326 HE1 TYR 46 HE1 TYR 46 -2.122 14.663 -1.850 327 HE2 TYR 46 HE2 TYR 46 -2.035 12.943 2.071 328 HH TYR 46 HH TYR 46 -0.338 13.512 -1.023 329 H TYR 47 H TYR 47 -6.237 15.722 3.738 330 HA TYR 47 HA TYR 47 -3.568 16.817 4.599 331 HB2 TYR 47 1HB TYR 47 -5.999 16.135 6.243 332 HB3 TYR 47 2HB TYR 47 -4.415 16.424 6.916 333 HD1 TYR 47 HD1 TYR 47 -3.892 18.523 7.734 334 HD2 TYR 47 HD2 TYR 47 -6.911 18.205 4.674 335 HE1 TYR 47 HE1 TYR 47 -4.419 20.939 7.978 336 HE2 TYR 47 HE2 TYR 47 -7.410 20.614 4.936 337 HH TYR 47 HH TYR 47 -7.044 22.511 6.163 338 H ARG 48 H ARG 48 -2.135 15.419 5.390 339 HA ARG 48 HA ARG 48 -2.776 12.520 5.053 340 HB2 ARG 48 1HB ARG 48 -1.048 13.772 3.613 341 HB3 ARG 48 2HB ARG 48 -0.053 13.881 5.054 342 HG2 ARG 48 1HG ARG 48 0.183 11.496 5.168 343 HG3 ARG 48 2HG ARG 48 -1.076 11.267 3.938 344 HD2 ARG 48 1HD ARG 48 0.351 12.577 2.334 345 HD3 ARG 48 2HD ARG 48 1.649 12.530 3.544 346 HE ARG 48 HE ARG 48 0.752 9.877 3.119 347 HH11 ARG 48 1HH1 ARG 48 2.387 12.400 1.264 348 HH12 ARG 48 2HH1 ARG 48 3.244 11.249 0.275 349 HH21 ARG 48 1HH2 ARG 48 1.885 8.466 1.822 350 HH22 ARG 48 2HH2 ARG 48 2.950 9.058 0.578 351 H ARG 49 H ARG 49 -2.943 11.395 6.883 352 HA ARG 49 HA ARG 49 -2.110 12.405 9.451 353 HB2 ARG 49 1HB ARG 49 -3.895 10.673 8.932 354 HB3 ARG 49 2HB ARG 49 -2.597 9.508 8.659 355 HG2 ARG 49 1HG ARG 49 -1.922 9.602 10.950 356 HG3 ARG 49 2HG ARG 49 -2.911 11.047 11.242 357 HD2 ARG 49 1HD ARG 49 -4.091 9.228 12.195 358 HD3 ARG 49 2HD ARG 49 -4.955 9.678 10.728 359 HE ARG 49 HE ARG 49 -3.682 7.709 9.666 360 HH11 ARG 49 1HH1 ARG 49 -4.767 7.750 13.018 361 HH12 ARG 49 2HH1 ARG 49 -4.794 6.010 13.128 362 HH21 ARG 49 1HH2 ARG 49 -3.799 5.469 9.857 363 HH22 ARG 49 2HH2 ARG 49 -4.269 4.761 11.379 364 H ALA 50 H ALA 50 -0.256 12.105 10.601 365 HA ALA 50 HA ALA 50 1.802 10.265 9.525 366 HB1 ALA 50 1HB ALA 50 2.300 12.419 8.466 367 HB2 ALA 50 2HB ALA 50 3.519 12.061 9.720 368 HB3 ALA 50 3HB ALA 50 2.219 13.234 10.048 369 H THR 51 H THR 51 3.111 9.421 10.990 370 HA THR 51 HA THR 51 3.268 10.495 13.752 371 HB THR 51 HB THR 51 3.095 8.147 14.648 372 HG1 THR 51 HG1 THR 51 1.839 6.790 12.931 373 HG21 THR 51 1HG2 THR 51 0.687 7.867 14.545 374 HG22 THR 51 2HG2 THR 51 0.588 8.898 13.099 375 HG23 THR 51 3HG2 THR 51 1.069 9.597 14.664 376 H ARG 52 H ARG 52 5.248 9.160 14.723 377 HA ARG 52 HA ARG 52 6.961 8.132 12.534 378 HB2 ARG 52 1HB ARG 52 7.403 10.636 13.041 379 HB3 ARG 52 2HB ARG 52 8.117 10.062 14.551 380 HG2 ARG 52 1HG ARG 52 9.927 10.327 13.039 381 HG3 ARG 52 2HG ARG 52 9.635 8.578 13.099 382 HD2 ARG 52 1HD ARG 52 8.312 8.730 11.004 383 HD3 ARG 52 2HD ARG 52 8.582 10.481 10.960 384 HE ARG 52 HE ARG 52 11.110 9.208 11.073 385 HH11 ARG 52 1HH1 ARG 52 8.428 9.508 8.794 386 HH12 ARG 52 2HH1 ARG 52 9.468 9.334 7.406 387 HH21 ARG 52 1HH2 ARG 52 12.372 8.975 9.248 388 HH22 ARG 52 2HH2 ARG 52 11.654 9.034 7.662 389 H ARG 53 H ARG 53 7.881 6.292 13.031 390 HA ARG 53 HA ARG 53 8.666 5.730 15.823 391 HB2 ARG 53 1HB ARG 53 6.235 4.773 14.834 392 HB3 ARG 53 2HB ARG 53 7.347 3.453 14.482 393 HG2 ARG 53 1HG ARG 53 6.390 2.982 16.600 394 HG3 ARG 53 2HG ARG 53 8.041 3.548 16.936 395 HD2 ARG 53 1HD ARG 53 7.316 5.594 17.748 396 HD3 ARG 53 2HD ARG 53 5.831 5.549 16.817 397 HE ARG 53 HE ARG 53 6.260 4.560 19.517 398 HH11 ARG 53 1HH1 ARG 53 4.183 4.084 16.672 399 HH12 ARG 53 2HH1 ARG 53 2.889 3.434 17.641 400 HH21 ARG 53 1HH2 ARG 53 4.577 3.762 20.637 401 HH22 ARG 53 2HH2 ARG 53 3.126 3.210 19.840 402 H ILE 54 H ILE 54 10.144 4.285 16.063 403 HA ILE 54 HA ILE 54 11.333 2.914 13.747 404 HB ILE 54 HB ILE 54 13.528 3.749 14.108 405 HG12 ILE 54 1HG1 ILE 54 13.751 3.795 16.483 406 HG13 ILE 54 2HG1 ILE 54 14.213 5.346 15.831 407 HG21 ILE 54 1HG2 ILE 54 13.468 6.133 13.639 408 HG22 ILE 54 2HG2 ILE 54 11.810 6.245 14.268 409 HG23 ILE 54 3HG2 ILE 54 12.143 5.303 12.795 410 HD11 ILE 54 1HD1 ILE 54 13.064 5.779 17.817 411 HD12 ILE 54 2HD1 ILE 54 11.736 4.693 17.375 412 HD13 ILE 54 3HD1 ILE 54 11.958 6.225 16.502 413 H ARG 55 H ARG 55 13.234 1.552 15.000 414 HA ARG 55 HA ARG 55 12.269 0.890 17.748 415 HB2 ARG 55 1HB ARG 55 11.400 -0.840 16.173 416 HB3 ARG 55 2HB ARG 55 13.054 -1.137 15.614 417 HG2 ARG 55 1HG ARG 55 13.703 -1.833 17.906 418 HG3 ARG 55 2HG ARG 55 12.036 -1.563 18.453 419 HD2 ARG 55 1HD ARG 55 11.242 -3.265 16.880 420 HD3 ARG 55 2HD ARG 55 12.901 -3.506 16.292 421 HE ARG 55 HE ARG 55 12.900 -3.873 19.101 422 HH11 ARG 55 1HH1 ARG 55 11.612 -5.523 16.253 423 HH12 ARG 55 2HH1 ARG 55 11.668 -7.086 17.022 424 HH21 ARG 55 1HH2 ARG 55 12.956 -5.905 20.005 425 HH22 ARG 55 2HH2 ARG 55 12.409 -7.294 19.107 426 H GLY 56 H GLY 56 13.894 1.213 19.104 427 HA2 GLY 56 1HA GLY 56 16.682 1.035 18.061 428 HA3 GLY 56 2HA GLY 56 16.163 1.767 19.606 429 H GLY 57 H GLY 57 18.139 -0.495 19.017 430 HA2 GLY 57 1HA GLY 57 16.890 -2.932 19.918 431 HA3 GLY 57 2HA GLY 57 18.634 -2.586 19.900 432 H ASP 58 H ASP 58 18.319 -0.148 21.421 433 HA ASP 58 HA ASP 58 18.318 -1.294 24.116 434 HB2 ASP 58 1HB ASP 58 20.061 0.284 23.061 435 HB3 ASP 58 2HB ASP 58 18.880 1.569 23.316 436 H GLY 59 H GLY 59 15.814 -0.631 22.365 437 HA2 GLY 59 1HA GLY 59 13.638 -0.450 23.140 438 HA3 GLY 59 2HA GLY 59 14.237 0.123 24.694 439 H LYS 60 H LYS 60 15.729 2.156 22.628 440 HA LYS 60 HA LYS 60 13.963 4.290 23.274 441 HB2 LYS 60 1HB LYS 60 16.434 4.006 21.571 442 HB3 LYS 60 2HB LYS 60 15.501 5.519 21.577 443 HG2 LYS 60 1HG LYS 60 16.695 6.095 23.395 444 HG3 LYS 60 2HG LYS 60 15.665 4.939 24.249 445 HD2 LYS 60 1HD LYS 60 17.540 3.226 23.408 446 HD3 LYS 60 2HD LYS 60 18.525 4.706 23.473 447 HE2 LYS 60 1HE LYS 60 17.139 4.912 25.824 448 HE3 LYS 60 2HE LYS 60 17.209 3.148 25.664 449 HZ1 LYS 60 1HZ LYS 60 19.065 4.062 26.931 450 HZ2 LYS 60 2HZ LYS 60 19.577 4.933 25.627 451 HZ3 LYS 60 3HZ LYS 60 19.599 3.280 25.587 452 H MET 61 H MET 61 12.442 5.248 22.323 453 HA MET 61 HA MET 61 11.576 4.392 19.592 454 HB2 MET 61 1HB MET 61 9.869 5.147 21.999 455 HB3 MET 61 2HB MET 61 9.260 4.716 20.397 456 HG2 MET 61 1HG MET 61 10.820 2.881 22.238 457 HG3 MET 61 2HG MET 61 9.067 2.860 22.021 458 HE1 MET 61 1HE MET 61 8.551 1.403 18.507 459 HE2 MET 61 2HE MET 61 8.279 3.008 19.227 460 HE3 MET 61 3HE MET 61 7.863 1.542 20.144 461 H LYS 62 H LYS 62 9.806 6.171 18.879 462 HA LYS 62 HA LYS 62 11.073 8.845 19.356 463 HB2 LYS 62 1HB LYS 62 10.158 7.482 16.913 464 HB3 LYS 62 2HB LYS 62 9.453 9.085 17.093 465 HG2 LYS 62 1HG LYS 62 12.396 8.496 17.240 466 HG3 LYS 62 2HG LYS 62 11.544 9.058 15.792 467 HD2 LYS 62 1HD LYS 62 10.879 11.129 16.970 468 HD3 LYS 62 2HD LYS 62 11.686 10.565 18.441 469 HE2 LYS 62 1HE LYS 62 13.846 10.482 17.184 470 HE3 LYS 62 2HE LYS 62 13.021 11.216 15.791 471 HZ1 LYS 62 1HZ LYS 62 14.131 12.886 17.174 472 HZ2 LYS 62 2HZ LYS 62 13.255 12.437 18.497 473 HZ3 LYS 62 3HZ LYS 62 12.499 13.132 17.207 474 H ASP 63 H ASP 63 8.037 7.337 18.460 475 HA ASP 63 HA ASP 63 5.853 7.791 18.954 476 HB2 ASP 63 1HB ASP 63 7.362 7.894 21.505 477 HB3 ASP 63 2HB ASP 63 5.677 8.433 21.554 478 H LEU 64 H LEU 64 6.736 9.872 17.523 479 HA LEU 64 HA LEU 64 6.182 12.393 18.848 480 HB2 LEU 64 1HB LEU 64 6.097 11.678 15.890 481 HB3 LEU 64 2HB LEU 64 6.030 13.309 16.555 482 HG LEU 64 HG LEU 64 8.393 11.403 16.637 483 HD11 LEU 64 1HD1 LEU 64 9.454 13.066 15.201 484 HD12 LEU 64 2HD1 LEU 64 8.036 14.131 15.326 485 HD13 LEU 64 3HD1 LEU 64 7.909 12.574 14.479 486 HD21 LEU 64 1HD2 LEU 64 9.643 13.349 17.640 487 HD22 LEU 64 2HD2 LEU 64 8.448 12.625 18.731 488 HD23 LEU 64 3HD2 LEU 64 8.084 14.159 17.902 489 H SER 65 H SER 65 4.260 13.539 18.889 490 HA SER 65 HA SER 65 1.910 12.030 19.216 491 HB2 SER 65 1HB SER 65 0.792 14.249 19.373 492 HB3 SER 65 2HB SER 65 2.282 14.163 20.332 493 HG SER 65 HG SER 65 1.887 16.080 18.921 494 HA PRO 66 HA PRO 66 0.244 11.612 15.223 495 HB2 PRO 66 1HB PRO 66 -2.473 11.875 15.572 496 HB3 PRO 66 2HB PRO 66 -1.551 10.441 16.130 497 HG2 PRO 66 1HG PRO 66 -2.364 12.883 17.700 498 HG3 PRO 66 2HG PRO 66 -2.606 11.152 18.104 499 HD2 PRO 66 1HD PRO 66 -0.559 12.528 19.138 500 HD3 PRO 66 2HD PRO 66 -0.324 10.834 18.580 501 H ARG 67 H ARG 67 0.261 12.920 13.539 502 HA ARG 67 HA ARG 67 -0.905 15.655 13.812 503 HB2 ARG 67 1HB ARG 67 1.884 14.779 13.097 504 HB3 ARG 67 2HB ARG 67 1.226 16.254 12.393 505 HG2 ARG 67 1HG ARG 67 1.301 17.406 14.337 506 HG3 ARG 67 2HG ARG 67 0.897 15.990 15.319 507 HD2 ARG 67 1HD ARG 67 3.163 15.113 15.012 508 HD3 ARG 67 2HD ARG 67 3.587 16.545 14.063 509 HE ARG 67 HE ARG 67 3.157 16.367 16.979 510 HH11 ARG 67 1HH1 ARG 67 3.666 18.556 14.243 511 HH12 ARG 67 2HH1 ARG 67 4.166 19.871 15.295 512 HH21 ARG 67 1HH2 ARG 67 3.786 18.143 18.211 513 HH22 ARG 67 2HH2 ARG 67 4.222 19.651 17.425 514 H TRP 68 H TRP 68 -1.256 16.726 11.780 515 HA TRP 68 HA TRP 68 -1.506 14.851 9.456 516 HB2 TRP 68 1HB TRP 68 -3.499 16.867 10.527 517 HB3 TRP 68 2HB TRP 68 -3.581 16.201 8.896 518 HD1 TRP 68 HD1 TRP 68 -3.722 14.934 12.565 519 HE1 TRP 68 HE1 TRP 68 -5.198 12.863 12.698 520 HE3 TRP 68 HE3 TRP 68 -4.633 14.391 7.569 521 HZ2 TRP 68 HZ2 TRP 68 -6.578 11.182 10.870 522 HZ3 TRP 68 HZ3 TRP 68 -6.110 12.531 6.812 523 HH2 TRP 68 HH2 TRP 68 -7.083 10.946 8.469 524 H TYR 69 H TYR 69 -0.578 15.649 7.638 525 HA TYR 69 HA TYR 69 0.254 18.547 7.679 526 HB2 TYR 69 1HB TYR 69 1.427 16.102 6.301 527 HB3 TYR 69 2HB TYR 69 1.966 17.755 6.005 528 HD1 TYR 69 HD1 TYR 69 1.616 15.231 8.808 529 HD2 TYR 69 HD2 TYR 69 3.703 18.687 7.312 530 HE1 TYR 69 HE1 TYR 69 3.268 15.055 10.670 531 HE2 TYR 69 HE2 TYR 69 5.366 18.476 9.158 532 HH TYR 69 HH TYR 69 5.150 15.894 11.620 533 H PHE 70 H PHE 70 -0.345 19.806 5.855 534 HA PHE 70 HA PHE 70 -2.459 18.626 4.201 535 HB2 PHE 70 1HB PHE 70 -2.859 20.850 5.138 536 HB3 PHE 70 2HB PHE 70 -1.389 21.461 4.368 537 HD1 PHE 70 HD1 PHE 70 -4.742 19.970 3.607 538 HD2 PHE 70 HD2 PHE 70 -1.433 22.277 2.137 539 HE1 PHE 70 HE1 PHE 70 -6.034 20.504 1.545 540 HE2 PHE 70 HE2 PHE 70 -2.725 22.841 0.086 541 HZ PHE 70 HZ PHE 70 -5.032 21.955 -0.216 542 H TYR 71 H TYR 71 -2.332 18.232 2.102 543 HA TYR 71 HA TYR 71 0.206 18.821 0.665 544 HB2 TYR 71 1HB TYR 71 -0.910 16.256 1.647 545 HB3 TYR 71 2HB TYR 71 -0.261 16.236 -0.021 546 HD1 TYR 71 HD1 TYR 71 2.212 17.048 -0.315 547 HD2 TYR 71 HD2 TYR 71 0.488 16.064 3.505 548 HE1 TYR 71 HE1 TYR 71 4.504 16.825 0.673 549 HE2 TYR 71 HE2 TYR 71 2.771 15.831 4.471 550 HH TYR 71 HH TYR 71 4.998 15.932 4.107 551 H TYR 72 H TYR 72 -0.158 18.938 -1.579 552 HA TYR 72 HA TYR 72 -2.907 19.613 -2.243 553 HB2 TYR 72 1HB TYR 72 -0.309 19.745 -3.802 554 HB3 TYR 72 2HB TYR 72 -1.871 20.301 -4.416 555 HD1 TYR 72 HD1 TYR 72 -2.833 22.400 -3.723 556 HD2 TYR 72 HD2 TYR 72 0.710 20.919 -1.766 557 HE1 TYR 72 HE1 TYR 72 -2.533 24.594 -2.585 558 HE2 TYR 72 HE2 TYR 72 0.969 23.114 -0.604 559 HH TYR 72 HH TYR 72 -1.097 25.890 -1.318 560 H LEU 73 H LEU 73 -3.980 18.912 -4.223 561 HA LEU 73 HA LEU 73 -4.272 16.090 -4.308 562 HB2 LEU 73 1HB LEU 73 -6.048 17.581 -4.980 563 HB3 LEU 73 2HB LEU 73 -5.054 18.297 -6.234 564 HG LEU 73 HG LEU 73 -5.298 16.428 -7.647 565 HD11 LEU 73 1HD1 LEU 73 -6.558 14.395 -7.131 566 HD12 LEU 73 2HD1 LEU 73 -6.829 14.972 -5.475 567 HD13 LEU 73 3HD1 LEU 73 -5.197 14.543 -6.021 568 HD21 LEU 73 1HD2 LEU 73 -7.601 16.353 -8.086 569 HD22 LEU 73 2HD2 LEU 73 -7.103 17.983 -7.602 570 HD23 LEU 73 3HD2 LEU 73 -7.951 16.929 -6.444 571 H GLY 74 H GLY 74 -3.175 14.518 -5.252 572 HA2 GLY 74 1HA GLY 74 -1.985 13.442 -6.926 573 HA3 GLY 74 2HA GLY 74 -1.762 14.975 -7.762 574 H THR 75 H THR 75 -0.750 14.958 -4.401 575 HA THR 75 HA THR 75 2.038 15.140 -5.385 576 HB THR 75 HB THR 75 2.524 15.704 -2.938 577 HG1 THR 75 HG1 THR 75 -0.281 16.109 -2.743 578 HG21 THR 75 1HG2 THR 75 2.324 17.499 -4.544 579 HG22 THR 75 2HG2 THR 75 1.470 17.964 -3.060 580 HG23 THR 75 3HG2 THR 75 0.546 17.426 -4.480 581 H GLY 76 H GLY 76 3.714 13.867 -4.719 582 HA2 GLY 76 1HA GLY 76 4.589 12.114 -3.248 583 HA3 GLY 76 2HA GLY 76 3.003 11.319 -3.313 584 HA PRO 77 HA PRO 77 5.809 10.521 -7.129 585 HB2 PRO 77 1HB PRO 77 7.424 8.397 -6.505 586 HB3 PRO 77 2HB PRO 77 7.864 10.092 -6.166 587 HG2 PRO 77 1HG PRO 77 6.682 8.073 -4.294 588 HG3 PRO 77 2HG PRO 77 8.100 9.140 -4.055 589 HD2 PRO 77 1HD PRO 77 5.644 9.776 -3.091 590 HD3 PRO 77 2HD PRO 77 6.764 11.031 -3.719 591 H GLU 78 H GLU 78 4.701 8.009 -4.917 592 HA GLU 78 HA GLU 78 3.556 6.466 -7.213 593 HB2 GLU 78 1HB GLU 78 3.774 4.486 -5.741 594 HB3 GLU 78 2HB GLU 78 5.329 5.265 -6.043 595 HG2 GLU 78 1HG GLU 78 5.054 6.454 -3.799 596 HG3 GLU 78 2HG GLU 78 3.689 5.373 -3.488 597 H ALA 79 H ALA 79 2.370 8.793 -5.949 598 HA ALA 79 HA ALA 79 0.588 8.091 -3.854 599 HB1 ALA 79 1HB ALA 79 -0.621 10.178 -4.477 600 HB2 ALA 79 2HB ALA 79 0.300 10.255 -5.999 601 HB3 ALA 79 3HB ALA 79 1.135 10.423 -4.446 602 H GLY 80 H GLY 80 -0.104 8.388 -7.373 603 HA2 GLY 80 1HA GLY 80 -1.782 7.486 -8.656 604 HA3 GLY 80 2HA GLY 80 -1.736 6.108 -7.550 605 H LEU 81 H LEU 81 -2.591 9.289 -6.308 606 HA LEU 81 HA LEU 81 -5.258 8.199 -5.717 607 HB2 LEU 81 1HB LEU 81 -3.460 10.265 -4.462 608 HB3 LEU 81 2HB LEU 81 -5.157 10.167 -4.078 609 HG LEU 81 HG LEU 81 -3.200 7.925 -3.606 610 HD11 LEU 81 1HD1 LEU 81 -2.734 9.980 -2.276 611 HD12 LEU 81 2HD1 LEU 81 -3.252 8.621 -1.274 612 HD13 LEU 81 3HD1 LEU 81 -4.397 9.920 -1.647 613 HD21 LEU 81 1HD2 LEU 81 -4.988 6.963 -2.234 614 HD22 LEU 81 2HD2 LEU 81 -5.551 7.183 -3.902 615 HD23 LEU 81 3HD2 LEU 81 -6.049 8.322 -2.627 616 HA PRO 82 HA PRO 82 -6.935 11.639 -8.125 617 HB2 PRO 82 1HB PRO 82 -9.384 10.517 -8.518 618 HB3 PRO 82 2HB PRO 82 -7.963 10.008 -9.488 619 HG2 PRO 82 1HG PRO 82 -9.201 8.698 -7.089 620 HG3 PRO 82 2HG PRO 82 -8.625 7.960 -8.605 621 HD2 PRO 82 1HD PRO 82 -7.195 7.974 -6.312 622 HD3 PRO 82 2HD PRO 82 -6.463 7.906 -7.932 623 H TYR 83 H TYR 83 -8.883 13.020 -7.481 624 HA TYR 83 HA TYR 83 -8.909 13.405 -4.654 625 HB2 TYR 83 1HB TYR 83 -9.376 15.138 -6.392 626 HB3 TYR 83 2HB TYR 83 -10.923 14.353 -6.720 627 HD1 TYR 83 HD1 TYR 83 -12.815 14.663 -5.226 628 HD2 TYR 83 HD2 TYR 83 -8.950 16.236 -4.180 629 HE1 TYR 83 HE1 TYR 83 -13.845 15.994 -3.383 630 HE2 TYR 83 HE2 TYR 83 -9.987 17.565 -2.355 631 HH TYR 83 HH TYR 83 -13.500 17.466 -1.689 632 H GLY 84 H GLY 84 -10.169 12.583 -3.071 633 HA2 GLY 84 1HA GLY 84 -12.137 11.709 -2.146 634 HA3 GLY 84 2HA GLY 84 -12.745 11.334 -3.759 635 H ALA 85 H ALA 85 -9.684 10.096 -3.839 636 HA ALA 85 HA ALA 85 -10.615 7.403 -3.623 637 HB1 ALA 85 1HB ALA 85 -7.872 8.649 -3.802 638 HB2 ALA 85 2HB ALA 85 -8.809 7.800 -5.047 639 HB3 ALA 85 3HB ALA 85 -8.120 6.885 -3.694 640 H ASN 86 H ASN 86 -10.692 5.962 -2.029 641 HA ASN 86 HA ASN 86 -10.337 6.860 0.703 642 HB2 ASN 86 1HB ASN 86 -12.128 5.288 -0.012 643 HB3 ASN 86 2HB ASN 86 -10.893 4.087 -0.424 644 HD21 ASN 86 1HD2 ASN 86 -11.347 2.760 2.755 645 HD22 ASN 86 2HD2 ASN 86 -11.470 2.535 1.027 646 H LYS 87 H LYS 87 -8.579 6.748 1.949 647 HA LYS 87 HA LYS 87 -6.738 4.477 1.759 648 HB2 LYS 87 1HB LYS 87 -5.862 6.052 0.042 649 HB3 LYS 87 2HB LYS 87 -5.774 7.310 1.246 650 HG2 LYS 87 1HG LYS 87 -3.954 6.346 2.367 651 HG3 LYS 87 2HG LYS 87 -4.283 4.720 1.721 652 HD2 LYS 87 1HD LYS 87 -3.393 7.025 -0.004 653 HD3 LYS 87 2HD LYS 87 -2.245 5.948 0.793 654 HE2 LYS 87 1HE LYS 87 -3.228 3.999 -0.392 655 HE3 LYS 87 2HE LYS 87 -4.406 5.056 -1.183 656 HZ1 LYS 87 1HZ LYS 87 -1.461 5.201 -1.582 657 HZ2 LYS 87 2HZ LYS 87 -2.570 6.168 -2.328 658 HZ3 LYS 87 3HZ LYS 87 -2.538 4.554 -2.647 659 H ASP 88 H ASP 88 -5.464 4.350 3.703 660 HA ASP 88 HA ASP 88 -6.763 5.354 6.031 661 HB2 ASP 88 1HB ASP 88 -5.359 3.340 6.106 662 HB3 ASP 88 2HB ASP 88 -3.935 4.299 5.664 663 H GLY 89 H GLY 89 -6.626 7.206 7.083 664 HA2 GLY 89 1HA GLY 89 -5.759 9.170 7.894 665 HA3 GLY 89 2HA GLY 89 -4.170 8.635 7.338 666 H ILE 90 H ILE 90 -6.850 8.963 5.068 667 HA ILE 90 HA ILE 90 -5.606 11.502 4.104 668 HB ILE 90 HB ILE 90 -6.729 9.236 2.375 669 HG12 ILE 90 1HG1 ILE 90 -4.515 8.698 3.284 670 HG13 ILE 90 2HG1 ILE 90 -4.473 8.944 1.545 671 HG21 ILE 90 1HG2 ILE 90 -5.806 10.718 0.480 672 HG22 ILE 90 2HG2 ILE 90 -5.636 12.020 1.688 673 HG23 ILE 90 3HG2 ILE 90 -7.237 11.356 1.311 674 HD11 ILE 90 1HD1 ILE 90 -2.565 9.867 2.924 675 HD12 ILE 90 2HD1 ILE 90 -3.692 11.157 3.425 676 HD13 ILE 90 3HD1 ILE 90 -3.297 10.930 1.704 677 H ILE 91 H ILE 91 -6.916 13.115 4.211 678 HA ILE 91 HA ILE 91 -9.832 12.600 3.723 679 HB ILE 91 HB ILE 91 -10.327 14.574 5.202 680 HG12 ILE 91 1HG1 ILE 91 -7.908 14.264 6.825 681 HG13 ILE 91 2HG1 ILE 91 -7.539 14.879 5.235 682 HG21 ILE 91 1HG2 ILE 91 -10.655 12.206 5.924 683 HG22 ILE 91 2HG2 ILE 91 -10.279 13.301 7.270 684 HG23 ILE 91 3HG2 ILE 91 -9.021 12.216 6.628 685 HD11 ILE 91 1HD1 ILE 91 -7.968 16.691 6.821 686 HD12 ILE 91 2HD1 ILE 91 -9.617 16.082 7.079 687 HD13 ILE 91 3HD1 ILE 91 -9.116 16.694 5.474 688 H TRP 92 H TRP 92 -10.427 13.409 1.879 689 HA TRP 92 HA TRP 92 -8.816 15.428 0.546 690 HB2 TRP 92 1HB TRP 92 -11.394 14.014 -0.199 691 HB3 TRP 92 2HB TRP 92 -10.480 15.083 -1.265 692 HD1 TRP 92 HD1 TRP 92 -10.507 11.565 0.072 693 HE1 TRP 92 HE1 TRP 92 -8.640 10.178 -0.936 694 HE3 TRP 92 HE3 TRP 92 -7.962 15.393 -2.169 695 HZ2 TRP 92 HZ2 TRP 92 -6.311 10.673 -2.480 696 HZ3 TRP 92 HZ3 TRP 92 -5.852 14.858 -3.397 697 HH2 TRP 92 HH2 TRP 92 -5.045 12.505 -3.561 698 H VAL 93 H VAL 93 -9.156 17.538 0.310 699 HA VAL 93 HA VAL 93 -11.821 18.650 1.040 700 HB VAL 93 HB VAL 93 -10.638 20.567 2.194 701 HG11 VAL 93 1HG1 VAL 93 -10.297 19.398 4.325 702 HG12 VAL 93 2HG1 VAL 93 -10.206 17.835 3.481 703 HG13 VAL 93 3HG1 VAL 93 -11.725 18.762 3.489 704 HG21 VAL 93 1HG2 VAL 93 -8.352 20.327 2.968 705 HG22 VAL 93 2HG2 VAL 93 -8.356 20.127 1.207 706 HG23 VAL 93 3HG2 VAL 93 -8.223 18.702 2.261 707 H ALA 94 H ALA 94 -12.317 20.610 0.012 708 HA ALA 94 HA ALA 94 -10.472 21.789 -1.928 709 HB1 ALA 94 1HB ALA 94 -11.434 19.814 -3.201 710 HB2 ALA 94 2HB ALA 94 -11.935 21.380 -3.875 711 HB3 ALA 94 3HB ALA 94 -13.064 20.441 -2.867 712 H THR 95 H THR 95 -11.715 23.703 -2.881 713 HA THR 95 HA THR 95 -14.012 24.525 -1.176 714 HB THR 95 HB THR 95 -11.863 25.646 -0.369 715 HG1 THR 95 HG1 THR 95 -12.859 27.821 -0.674 716 HG21 THR 95 1HG2 THR 95 -10.819 27.336 -1.712 717 HG22 THR 95 2HG2 THR 95 -12.014 27.139 -3.012 718 HG23 THR 95 3HG2 THR 95 -10.838 25.848 -2.677 719 H GLU 96 H GLU 96 -15.089 26.439 -2.398 720 HA GLU 96 HA GLU 96 -15.720 25.459 -5.008 721 HB2 GLU 96 1HB GLU 96 -17.219 26.734 -3.448 722 HB3 GLU 96 2HB GLU 96 -16.317 28.201 -3.842 723 HG2 GLU 96 1HG GLU 96 -17.044 28.139 -6.117 724 HG3 GLU 96 2HG GLU 96 -17.649 26.481 -5.948 725 H GLY 97 H GLY 97 -14.948 25.978 -6.976 726 HA2 GLY 97 1HA GLY 97 -13.936 27.388 -8.580 727 HA3 GLY 97 2HA GLY 97 -13.212 28.350 -7.289 728 H ALA 98 H ALA 98 -12.576 25.308 -6.267 729 HA ALA 98 HA ALA 98 -9.858 25.431 -7.319 730 HB1 ALA 98 1HB ALA 98 -9.440 23.619 -5.804 731 HB2 ALA 98 2HB ALA 98 -11.185 23.315 -5.599 732 HB3 ALA 98 3HB ALA 98 -10.457 24.812 -4.967 733 H LEU 99 H LEU 99 -8.968 24.151 -8.914 734 HA LEU 99 HA LEU 99 -10.878 22.696 -10.599 735 HB2 LEU 99 1HB LEU 99 -7.895 23.179 -10.802 736 HB3 LEU 99 2HB LEU 99 -8.801 22.207 -11.950 737 HG LEU 99 HG LEU 99 -9.114 25.180 -11.484 738 HD11 LEU 99 1HD1 LEU 99 -8.226 25.262 -13.784 739 HD12 LEU 99 2HD1 LEU 99 -8.114 23.480 -13.804 740 HD13 LEU 99 3HD1 LEU 99 -7.100 24.438 -12.691 741 HD21 LEU 99 1HD2 LEU 99 -10.637 25.106 -13.460 742 HD22 LEU 99 2HD2 LEU 99 -11.319 24.296 -12.042 743 HD23 LEU 99 3HD2 LEU 99 -10.633 23.327 -13.373 744 H ASN 100 H ASN 100 -11.087 20.587 -10.874 745 HA ASN 100 HA ASN 100 -9.830 18.843 -8.867 746 HB2 ASN 100 1HB ASN 100 -12.259 18.692 -9.452 747 HB3 ASN 100 2HB ASN 100 -11.799 18.141 -11.071 748 HD21 ASN 100 1HD2 ASN 100 -12.110 14.901 -9.812 749 HD22 ASN 100 2HD2 ASN 100 -12.713 16.125 -10.901 750 H THR 101 H THR 101 -7.686 19.462 -9.973 751 HA THR 101 HA THR 101 -7.026 17.258 -11.861 752 HB THR 101 HB THR 101 -7.441 19.664 -12.965 753 HG1 THR 101 HG1 THR 101 -5.968 19.073 -14.551 754 HG21 THR 101 1HG2 THR 101 -5.461 21.025 -13.147 755 HG22 THR 101 2HG2 THR 101 -4.510 19.859 -12.195 756 HG23 THR 101 3HG2 THR 101 -5.809 20.808 -11.418 757 HA PRO 102 HA PRO 102 -3.633 16.938 -9.045 758 HB2 PRO 102 1HB PRO 102 -1.567 16.128 -10.650 759 HB3 PRO 102 2HB PRO 102 -2.905 15.034 -10.162 760 HG2 PRO 102 1HG PRO 102 -2.556 16.622 -12.695 761 HG3 PRO 102 2HG PRO 102 -2.979 14.891 -12.498 762 HD2 PRO 102 1HD PRO 102 -4.864 16.731 -12.949 763 HD3 PRO 102 2HD PRO 102 -5.155 15.389 -11.795 764 H LYS 103 H LYS 103 -1.865 18.061 -8.249 765 HA LYS 103 HA LYS 103 -0.477 19.998 -9.987 766 HB2 LYS 103 1HB LYS 103 -0.969 21.853 -8.322 767 HB3 LYS 103 2HB LYS 103 -2.251 21.377 -9.422 768 HG2 LYS 103 1HG LYS 103 -3.167 19.911 -7.498 769 HG3 LYS 103 2HG LYS 103 -2.038 20.793 -6.469 770 HD2 LYS 103 1HD LYS 103 -4.104 21.902 -6.285 771 HD3 LYS 103 2HD LYS 103 -3.105 22.920 -7.323 772 HE2 LYS 103 1HE LYS 103 -4.881 20.888 -8.661 773 HE3 LYS 103 2HE LYS 103 -5.659 22.272 -7.904 774 HZ1 LYS 103 1HZ LYS 103 -5.339 22.921 -10.059 775 HZ2 LYS 103 2HZ LYS 103 -3.810 22.308 -10.165 776 HZ3 LYS 103 3HZ LYS 103 -4.094 23.668 -9.272 777 H ASP 104 H ASP 104 0.648 17.894 -9.240 778 HA ASP 104 HA ASP 104 1.800 17.554 -6.713 779 HB2 ASP 104 1HB ASP 104 3.453 16.218 -7.886 780 HB3 ASP 104 2HB ASP 104 1.879 15.973 -8.660 781 H HIS 105 H HIS 105 2.726 19.663 -9.365 782 HA HIS 105 HA HIS 105 5.354 20.309 -8.577 783 HB2 HIS 105 1HB HIS 105 5.154 22.191 -10.084 784 HB3 HIS 105 2HB HIS 105 4.356 20.782 -10.796 785 HD1 HIS 105 HD1 HIS 105 1.773 20.908 -11.182 786 HD2 HIS 105 HD2 HIS 105 3.397 24.305 -9.325 787 HE1 HIS 105 HE1 HIS 105 -0.054 22.700 -11.159 788 H ILE 106 H ILE 106 2.439 21.277 -6.983 789 HA ILE 106 HA ILE 106 3.665 23.747 -5.937 790 HB ILE 106 HB ILE 106 1.093 22.332 -5.078 791 HG12 ILE 106 1HG1 ILE 106 1.540 24.673 -6.976 792 HG13 ILE 106 2HG1 ILE 106 1.109 23.031 -7.465 793 HG21 ILE 106 1HG2 ILE 106 0.529 24.532 -4.040 794 HG22 ILE 106 2HG2 ILE 106 2.086 25.202 -4.571 795 HG23 ILE 106 3HG2 ILE 106 2.030 23.909 -3.354 796 HD11 ILE 106 1HD1 ILE 106 -0.863 24.239 -7.551 797 HD12 ILE 106 2HD1 ILE 106 -0.568 25.024 -5.984 798 HD13 ILE 106 3HD1 ILE 106 -0.970 23.286 -6.053 799 H GLY 107 H GLY 107 3.013 20.389 -4.943 800 HA2 GLY 107 1HA GLY 107 3.790 20.829 -2.201 801 HA3 GLY 107 2HA GLY 107 3.519 19.277 -2.988 802 H THR 108 H THR 108 5.887 21.262 -4.543 803 HA THR 108 HA THR 108 7.962 19.382 -3.594 804 HB THR 108 HB THR 108 7.574 19.739 -6.053 805 HG1 THR 108 HG1 THR 108 10.122 20.496 -5.031 806 HG21 THR 108 1HG2 THR 108 8.233 21.723 -7.168 807 HG22 THR 108 2HG2 THR 108 9.005 22.396 -5.719 808 HG23 THR 108 3HG2 THR 108 7.235 22.291 -5.817 809 H ARG 109 H ARG 109 6.959 21.756 -1.936 810 HA ARG 109 HA ARG 109 8.928 23.800 -1.870 811 HB2 ARG 109 1HB ARG 109 6.781 23.794 -0.527 812 HB3 ARG 109 2HB ARG 109 7.512 22.581 0.531 813 HG2 ARG 109 1HG ARG 109 9.379 24.260 0.999 814 HG3 ARG 109 2HG ARG 109 8.426 25.461 0.125 815 HD2 ARG 109 1HD ARG 109 8.078 25.680 2.528 816 HD3 ARG 109 2HD ARG 109 6.590 25.158 1.740 817 HE ARG 109 HE ARG 109 6.694 23.116 2.840 818 HH11 ARG 109 1HH1 ARG 109 9.735 24.847 3.487 819 HH12 ARG 109 2HH1 ARG 109 10.162 23.735 4.752 820 HH21 ARG 109 1HH2 ARG 109 7.311 21.813 4.447 821 HH22 ARG 109 2HH2 ARG 109 8.837 22.040 5.278 822 H ASN 110 H ASN 110 10.970 23.922 -1.120 823 HA ASN 110 HA ASN 110 12.162 21.391 -0.071 824 HB2 ASN 110 1HB ASN 110 13.136 23.669 -1.763 825 HB3 ASN 110 2HB ASN 110 14.296 22.968 -0.635 826 HD21 ASN 110 1HD2 ASN 110 14.454 21.224 -3.941 827 HD22 ASN 110 2HD2 ASN 110 14.524 22.898 -3.455 828 HA PRO 111 HA PRO 111 12.096 23.757 3.684 829 HB2 PRO 111 1HB PRO 111 13.483 22.110 5.358 830 HB3 PRO 111 2HB PRO 111 11.821 21.735 4.798 831 HG2 PRO 111 1HG PRO 111 14.445 20.770 3.681 832 HG3 PRO 111 2HG PRO 111 13.009 19.813 4.172 833 HD2 PRO 111 1HD PRO 111 13.422 20.488 1.597 834 HD3 PRO 111 2HD PRO 111 11.767 20.503 2.299 835 H ALA 112 H ALA 112 15.019 22.767 2.066 836 HA ALA 112 HA ALA 112 16.844 24.270 3.732 837 HB1 ALA 112 1HB ALA 112 17.584 22.370 2.314 838 HB2 ALA 112 2HB ALA 112 18.432 23.868 1.873 839 HB3 ALA 112 3HB ALA 112 17.106 23.271 0.850 840 H ASN 113 H ASN 113 14.673 25.014 1.101 841 HA ASN 113 HA ASN 113 16.072 27.582 0.571 842 HB2 ASN 113 1HB ASN 113 13.860 26.147 -0.941 843 HB3 ASN 113 2HB ASN 113 14.605 27.676 -1.422 844 HD21 ASN 113 1HD2 ASN 113 16.172 24.680 -3.120 845 HD22 ASN 113 2HD2 ASN 113 14.503 25.109 -2.819 846 H ASN 114 H ASN 114 13.136 26.293 1.999 847 HA ASN 114 HA ASN 114 12.338 29.022 2.743 848 HB2 ASN 114 1HB ASN 114 11.236 28.870 0.625 849 HB3 ASN 114 2HB ASN 114 10.621 27.240 0.988 850 HD21 ASN 114 1HD2 ASN 114 7.815 28.400 2.614 851 HD22 ASN 114 2HD2 ASN 114 8.650 27.158 1.714 852 H ALA 115 H ALA 115 10.925 29.141 4.464 853 HA ALA 115 HA ALA 115 10.784 26.691 6.103 854 HB1 ALA 115 1HB ALA 115 10.036 29.579 6.729 855 HB2 ALA 115 2HB ALA 115 11.594 28.801 7.106 856 HB3 ALA 115 3HB ALA 115 10.101 28.243 7.900 857 H ALA 116 H ALA 116 8.874 25.859 6.982 858 HA ALA 116 HA ALA 116 6.545 25.965 5.305 859 HB1 ALA 116 1HB ALA 116 7.222 23.933 6.586 860 HB2 ALA 116 2HB ALA 116 5.556 24.436 6.939 861 HB3 ALA 116 3HB ALA 116 6.854 24.792 8.103 862 H ILE 117 H ILE 117 4.544 26.814 5.685 863 HA ILE 117 HA ILE 117 4.483 29.264 7.311 864 HB ILE 117 HB ILE 117 2.396 27.970 5.515 865 HG12 ILE 117 1HG1 ILE 117 3.969 30.381 4.683 866 HG13 ILE 117 2HG1 ILE 117 4.738 28.803 4.557 867 HG21 ILE 117 1HG2 ILE 117 1.371 29.613 7.040 868 HG22 ILE 117 2HG2 ILE 117 1.407 30.269 5.399 869 HG23 ILE 117 3HG2 ILE 117 2.600 30.821 6.597 870 HD11 ILE 117 1HD1 ILE 117 2.914 27.966 3.167 871 HD12 ILE 117 2HD1 ILE 117 3.667 29.416 2.458 872 HD13 ILE 117 3HD1 ILE 117 2.099 29.547 3.285 873 H VAL 118 H VAL 118 3.244 29.478 9.259 874 HA VAL 118 HA VAL 118 2.300 27.136 10.655 875 HB VAL 118 HB VAL 118 1.561 30.101 10.974 876 HG11 VAL 118 1HG1 VAL 118 0.785 29.443 13.256 877 HG12 VAL 118 2HG1 VAL 118 0.995 27.737 12.809 878 HG13 VAL 118 3HG1 VAL 118 -0.205 28.738 11.963 879 HG21 VAL 118 1HG2 VAL 118 3.121 29.996 12.924 880 HG22 VAL 118 2HG2 VAL 118 3.944 29.673 11.386 881 HG23 VAL 118 3HG2 VAL 118 3.540 28.327 12.476 882 H LEU 119 H LEU 119 0.505 25.970 10.251 883 HA LEU 119 HA LEU 119 -1.179 26.636 8.035 884 HB2 LEU 119 1HB LEU 119 -0.558 24.360 8.939 885 HB3 LEU 119 2HB LEU 119 -1.732 24.606 10.222 886 HG LEU 119 HG LEU 119 -2.598 24.829 7.332 887 HD11 LEU 119 1HD1 LEU 119 -2.985 22.424 7.250 888 HD12 LEU 119 2HD1 LEU 119 -2.258 22.226 8.865 889 HD13 LEU 119 3HD1 LEU 119 -1.264 22.762 7.498 890 HD21 LEU 119 1HD2 LEU 119 -3.924 23.982 9.939 891 HD22 LEU 119 2HD2 LEU 119 -4.681 23.741 8.352 892 HD23 LEU 119 3HD2 LEU 119 -4.321 25.378 8.922 893 H GLN 120 H GLN 120 -3.023 27.727 7.897 894 HA GLN 120 HA GLN 120 -4.522 28.455 10.381 895 HB2 GLN 120 1HB GLN 120 -3.722 30.240 8.064 896 HB3 GLN 120 2HB GLN 120 -4.897 30.689 9.306 897 HG2 GLN 120 1HG GLN 120 -3.281 30.942 10.940 898 HG3 GLN 120 2HG GLN 120 -2.146 29.864 10.126 899 HE21 GLN 120 1HE2 GLN 120 -0.653 32.343 8.172 900 HE22 GLN 120 2HE2 GLN 120 -0.806 30.630 8.515 901 H LEU 121 H LEU 121 -6.784 28.907 9.886 902 HA LEU 121 HA LEU 121 -7.658 27.657 7.310 903 HB2 LEU 121 1HB LEU 121 -8.824 27.700 10.089 904 HB3 LEU 121 2HB LEU 121 -9.905 27.625 8.709 905 HG LEU 121 HG LEU 121 -7.783 25.564 9.366 906 HD11 LEU 121 1HD1 LEU 121 -9.815 24.182 9.881 907 HD12 LEU 121 2HD1 LEU 121 -10.812 25.633 9.655 908 HD13 LEU 121 3HD1 LEU 121 -9.615 25.576 10.964 909 HD21 LEU 121 1HD2 LEU 121 -8.183 25.585 6.954 910 HD22 LEU 121 2HD2 LEU 121 -9.937 25.637 7.198 911 HD23 LEU 121 3HD2 LEU 121 -9.012 24.186 7.647 912 HA PRO 122 HA PRO 122 -9.188 31.643 6.379 913 HB2 PRO 122 1HB PRO 122 -11.157 31.135 4.575 914 HB3 PRO 122 2HB PRO 122 -9.418 30.824 4.204 915 HG2 PRO 122 1HG PRO 122 -11.526 28.907 5.179 916 HG3 PRO 122 2HG PRO 122 -10.429 28.748 3.770 917 HD2 PRO 122 1HD PRO 122 -9.864 27.602 6.132 918 HD3 PRO 122 2HD PRO 122 -8.572 28.325 5.114 919 H GLN 123 H GLN 123 -11.120 33.031 6.433 920 HA GLN 123 HA GLN 123 -12.543 32.804 8.837 921 HB2 GLN 123 1HB GLN 123 -12.191 34.888 7.495 922 HB3 GLN 123 2HB GLN 123 -13.340 34.288 6.298 923 HG2 GLN 123 1HG GLN 123 -14.422 35.923 7.723 924 HG3 GLN 123 2HG GLN 123 -15.140 34.333 8.000 925 HE21 GLN 123 1HE2 GLN 123 -14.835 35.042 11.412 926 HE22 GLN 123 2HE2 GLN 123 -15.902 34.809 10.047 927 H GLY 124 H GLY 124 -14.310 31.734 9.464 928 HA2 GLY 124 1HA GLY 124 -16.492 30.858 9.152 929 HA3 GLY 124 2HA GLY 124 -16.200 30.728 7.414 930 H THR 125 H THR 125 -13.411 29.442 8.273 931 HA THR 125 HA THR 125 -14.637 26.745 8.682 932 HB THR 125 HB THR 125 -11.843 27.313 7.632 933 HG1 THR 125 HG1 THR 125 -13.442 28.228 6.254 934 HG21 THR 125 1HG2 THR 125 -12.404 24.988 8.485 935 HG22 THR 125 2HG2 THR 125 -12.016 25.050 6.759 936 HG23 THR 125 3HG2 THR 125 -13.701 24.917 7.284 937 H THR 126 H THR 126 -14.312 25.705 10.510 938 HA THR 126 HA THR 126 -12.149 26.664 12.330 939 HB THR 126 HB THR 126 -13.676 25.767 14.163 940 HG1 THR 126 HG1 THR 126 -15.102 24.580 12.883 941 HG21 THR 126 1HG2 THR 126 -15.040 27.773 14.234 942 HG22 THR 126 2HG2 THR 126 -14.734 28.078 12.510 943 HG23 THR 126 3HG2 THR 126 -13.393 28.163 13.683 944 H LEU 127 H LEU 127 -11.050 25.176 13.524 945 HA LEU 127 HA LEU 127 -10.729 22.555 12.324 946 HB2 LEU 127 1HB LEU 127 -9.779 23.630 14.986 947 HB3 LEU 127 2HB LEU 127 -9.242 22.133 14.278 948 HG LEU 127 HG LEU 127 -8.734 24.853 13.040 949 HD11 LEU 127 1HD1 LEU 127 -6.882 23.076 14.673 950 HD12 LEU 127 2HD1 LEU 127 -7.592 24.612 15.218 951 HD13 LEU 127 3HD1 LEU 127 -6.440 24.599 13.864 952 HD21 LEU 127 1HD2 LEU 127 -7.110 23.634 11.665 953 HD22 LEU 127 2HD2 LEU 127 -8.728 22.953 11.450 954 HD23 LEU 127 3HD2 LEU 127 -7.545 22.107 12.469 955 HA PRO 128 HA PRO 128 -13.818 20.590 14.758 956 HB2 PRO 128 1HB PRO 128 -12.930 18.027 15.026 957 HB3 PRO 128 2HB PRO 128 -13.472 18.692 13.457 958 HG2 PRO 128 1HG PRO 128 -10.712 18.342 14.523 959 HG3 PRO 128 2HG PRO 128 -11.359 17.958 12.904 960 HD2 PRO 128 1HD PRO 128 -9.939 20.232 13.493 961 HD3 PRO 128 2HD PRO 128 -11.170 20.175 12.202 962 H LYS 129 H LYS 129 -14.139 19.390 16.891 963 HA LYS 129 HA LYS 129 -12.705 20.847 18.887 964 HB2 LYS 129 1HB LYS 129 -15.072 19.798 18.978 965 HB3 LYS 129 2HB LYS 129 -14.265 18.298 19.437 966 HG2 LYS 129 1HG LYS 129 -13.806 20.891 20.955 967 HG3 LYS 129 2HG LYS 129 -15.202 19.861 21.297 968 HD2 LYS 129 1HD LYS 129 -13.696 17.972 21.839 969 HD3 LYS 129 2HD LYS 129 -12.292 19.003 21.505 970 HE2 LYS 129 1HE LYS 129 -13.104 20.599 23.266 971 HE3 LYS 129 2HE LYS 129 -14.366 19.422 23.682 972 HZ1 LYS 129 1HZ LYS 129 -12.607 17.830 24.204 973 HZ2 LYS 129 2HZ LYS 129 -12.425 19.197 25.109 974 HZ3 LYS 129 3HZ LYS 129 -11.441 18.930 23.813 975 H GLY 130 H GLY 130 -10.723 20.516 19.634 976 HA2 GLY 130 1HA GLY 130 -9.093 19.181 20.724 977 HA3 GLY 130 2HA GLY 130 -9.794 17.736 19.999 978 H PHE 131 H PHE 131 -8.839 20.710 18.271 979 HA PHE 131 HA PHE 131 -6.405 19.335 17.286 980 HB2 PHE 131 1HB PHE 131 -8.844 19.857 15.754 981 HB3 PHE 131 2HB PHE 131 -7.439 20.680 15.070 982 HD1 PHE 131 HD1 PHE 131 -5.433 19.390 14.405 983 HD2 PHE 131 HD2 PHE 131 -9.067 17.463 15.631 984 HE1 PHE 131 HE1 PHE 131 -4.660 17.276 13.340 985 HE2 PHE 131 HE2 PHE 131 -8.316 15.352 14.568 986 HZ PHE 131 HZ PHE 131 -6.107 15.260 13.418 987 H TYR 132 H TYR 132 -4.755 20.750 16.732 988 HA TYR 132 HA TYR 132 -5.363 23.635 16.629 989 HB2 TYR 132 1HB TYR 132 -3.695 24.251 18.271 990 HB3 TYR 132 2HB TYR 132 -4.919 23.231 19.023 991 HD1 TYR 132 HD1 TYR 132 -4.352 20.838 19.645 992 HD2 TYR 132 HD2 TYR 132 -1.366 23.568 18.160 993 HE1 TYR 132 HE1 TYR 132 -2.553 19.384 20.569 994 HE2 TYR 132 HE2 TYR 132 0.425 22.098 19.087 995 HH TYR 132 HH TYR 132 -0.323 19.108 20.895 996 H ALA 133 H ALA 133 -3.395 24.844 15.861 997 HA ALA 133 HA ALA 133 -2.005 23.134 13.877 998 HB1 ALA 133 1HB ALA 133 -3.262 25.078 13.019 999 HB2 ALA 133 2HB ALA 133 -1.518 25.268 12.733 1000 HB3 ALA 133 3HB ALA 133 -2.302 26.158 14.053 1001 H GLU 134 H GLU 134 0.193 23.034 13.672 1002 HA GLU 134 HA GLU 134 1.719 23.547 16.092 1003 HB2 GLU 134 1HB GLU 134 2.266 21.665 14.655 1004 HB3 GLU 134 2HB GLU 134 2.503 22.732 13.279 1005 HG2 GLU 134 1HG GLU 134 4.649 22.082 14.053 1006 HG3 GLU 134 2HG GLU 134 4.427 23.786 14.477 1007 H GLY 135 H GLY 135 3.039 25.223 16.579 1008 HA2 GLY 135 1HA GLY 135 4.255 27.187 16.207 1009 HA3 GLY 135 2HA GLY 135 3.686 27.238 14.534 1010 H SER 136 H SER 136 0.837 26.781 15.924 1011 HA SER 136 HA SER 136 0.332 29.687 16.117 1012 HB2 SER 136 1HB SER 136 -1.202 28.245 14.800 1013 HB3 SER 136 2HB SER 136 -1.588 27.333 16.276 1014 HG SER 136 HG SER 136 -3.091 29.044 15.771 1015 H ARG 137 H ARG 137 0.283 30.719 18.030 1016 HA ARG 137 HA ARG 137 -0.579 29.226 20.417 1017 HB2 ARG 137 1HB ARG 137 2.061 29.458 19.939 1018 HB3 ARG 137 2HB ARG 137 1.796 31.019 20.728 1019 HG2 ARG 137 1HG ARG 137 2.368 29.540 22.455 1020 HG3 ARG 137 2HG ARG 137 0.603 29.703 22.544 1021 HD2 ARG 137 1HD ARG 137 0.420 27.602 21.154 1022 HD3 ARG 137 2HD ARG 137 2.172 27.403 21.318 1023 HE ARG 137 HE ARG 137 1.252 27.667 23.916 1024 HH11 ARG 137 1HH1 ARG 137 0.468 25.474 21.265 1025 HH12 ARG 137 2HH1 ARG 137 0.030 24.176 22.343 1026 HH21 ARG 137 1HH2 ARG 137 0.683 25.963 25.232 1027 HH22 ARG 137 2HH2 ARG 137 0.142 24.456 24.549 1028 H GLY 138 H GLY 138 -1.917 31.186 18.785 1029 HA2 GLY 138 1HA GLY 138 -1.819 33.749 20.123 1030 HA3 GLY 138 2HA GLY 138 -3.081 33.168 19.019 1031 H GLY 139 H GLY 139 -3.200 30.723 20.781 1032 HA2 GLY 139 1HA GLY 139 -4.181 31.499 23.366 1033 HA3 GLY 139 2HA GLY 139 -5.525 31.174 22.224 1034 H SER 140 H SER 140 -5.422 29.307 24.174 1035 HA SER 140 HA SER 140 -4.581 26.892 22.765 1036 HB2 SER 140 1HB SER 140 -2.469 27.532 23.947 1037 HB3 SER 140 2HB SER 140 -3.376 27.595 25.478 1038 HG SER 140 HG SER 140 -4.030 25.340 24.790 Start of MODEL 22 1 H1 GLY 1 1H GLY 1 -1.329 0.170 7.535 2 H2 GLY 1 2H GLY 1 -0.256 1.419 7.627 3 H3 GLY 1 3H GLY 1 0.042 0.018 8.441 4 HA2 GLY 1 1HA GLY 1 0.255 -1.202 6.381 5 HA3 GLY 1 2HA GLY 1 -0.047 0.316 5.511 6 H ALA 2 H ALA 2 2.143 -0.242 4.517 7 HA ALA 2 HA ALA 2 4.500 -0.095 6.155 8 HB1 ALA 2 1HB ALA 2 4.494 -1.038 3.844 9 HB2 ALA 2 2HB ALA 2 5.669 0.287 3.996 10 HB3 ALA 2 3HB ALA 2 4.109 0.575 3.191 11 H MET 3 H MET 3 5.894 1.718 6.503 12 HA MET 3 HA MET 3 4.576 4.376 6.085 13 HB2 MET 3 1HB MET 3 6.184 3.468 8.496 14 HB3 MET 3 2HB MET 3 5.455 5.062 8.266 15 HG2 MET 3 1HG MET 3 3.204 3.993 8.226 16 HG3 MET 3 2HG MET 3 3.972 2.428 8.540 17 HE1 MET 3 1HE MET 3 4.236 6.181 10.043 18 HE2 MET 3 2HE MET 3 3.335 5.860 11.545 19 HE3 MET 3 3HE MET 3 2.538 5.650 9.970 20 H GLY 4 H GLY 4 6.881 2.724 4.757 21 HA2 GLY 4 1HA GLY 4 9.005 4.791 5.052 22 HA3 GLY 4 2HA GLY 4 9.276 3.117 4.548 23 H LEU 5 H LEU 5 6.614 5.031 3.387 24 HA LEU 5 HA LEU 5 7.347 4.568 0.629 25 HB2 LEU 5 1HB LEU 5 5.243 6.295 1.964 26 HB3 LEU 5 2HB LEU 5 5.485 6.289 0.229 27 HG LEU 5 HG LEU 5 3.572 4.979 0.803 28 HD11 LEU 5 1HD1 LEU 5 4.071 2.930 -0.394 29 HD12 LEU 5 2HD1 LEU 5 5.810 3.139 -0.100 30 HD13 LEU 5 3HD1 LEU 5 4.937 4.288 -1.135 31 HD21 LEU 5 1HD2 LEU 5 3.604 2.943 2.085 32 HD22 LEU 5 2HD2 LEU 5 4.244 4.258 3.090 33 HD23 LEU 5 3HD2 LEU 5 5.354 3.075 2.349 34 HA PRO 6 HA PRO 6 9.930 8.137 0.304 35 HB2 PRO 6 1HB PRO 6 9.872 8.663 -2.384 36 HB3 PRO 6 2HB PRO 6 10.756 7.265 -1.694 37 HG2 PRO 6 1HG PRO 6 8.005 7.352 -2.886 38 HG3 PRO 6 2HG PRO 6 9.361 6.240 -3.252 39 HD2 PRO 6 1HD PRO 6 7.373 5.537 -1.572 40 HD3 PRO 6 2HD PRO 6 9.075 5.055 -1.248 41 H ASN 7 H ASN 7 9.762 10.393 0.130 42 HA ASN 7 HA ASN 7 7.112 11.488 -0.633 43 HB2 ASN 7 1HB ASN 7 7.143 10.890 1.825 44 HB3 ASN 7 2HB ASN 7 8.430 12.085 2.035 45 HD21 ASN 7 1HD2 ASN 7 5.884 14.353 2.754 46 HD22 ASN 7 2HD2 ASN 7 7.257 13.439 3.334 47 H ASN 8 H ASN 8 8.588 12.066 -2.400 48 HA ASN 8 HA ASN 8 10.709 13.994 -1.954 49 HB2 ASN 8 1HB ASN 8 9.273 13.052 -4.476 50 HB3 ASN 8 2HB ASN 8 10.682 14.117 -4.469 51 HD21 ASN 8 1HD2 ASN 8 12.558 11.208 -4.940 52 HD22 ASN 8 2HD2 ASN 8 11.931 12.680 -5.642 53 H THR 9 H THR 9 7.889 14.705 -1.057 54 HA THR 9 HA THR 9 7.713 17.362 -2.320 55 HB THR 9 HB THR 9 5.167 17.076 -2.197 56 HG1 THR 9 HG1 THR 9 5.477 15.047 -0.912 57 HG21 THR 9 1HG2 THR 9 4.948 16.070 -4.360 58 HG22 THR 9 2HG2 THR 9 6.454 15.144 -4.162 59 HG23 THR 9 3HG2 THR 9 6.507 16.912 -4.357 60 H ALA 10 H ALA 10 7.552 18.786 -0.705 61 HA ALA 10 HA ALA 10 7.044 17.751 2.040 62 HB1 ALA 10 1HB ALA 10 9.268 18.814 1.576 63 HB2 ALA 10 2HB ALA 10 8.327 19.641 2.836 64 HB3 ALA 10 3HB ALA 10 8.417 20.330 1.197 65 H SER 11 H SER 11 5.455 18.628 3.289 66 HA SER 11 HA SER 11 3.250 19.932 2.027 67 HB2 SER 11 1HB SER 11 2.422 20.241 4.359 68 HB3 SER 11 2HB SER 11 2.982 18.584 4.066 69 HG SER 11 HG SER 11 3.977 20.522 5.759 70 H TRP 12 H TRP 12 2.656 22.076 1.947 71 HA TRP 12 HA TRP 12 4.729 24.045 2.154 72 HB2 TRP 12 1HB TRP 12 1.904 23.976 1.322 73 HB3 TRP 12 2HB TRP 12 2.432 25.507 2.037 74 HD1 TRP 12 HD1 TRP 12 2.650 23.562 -1.148 75 HE1 TRP 12 HE1 TRP 12 4.125 24.700 -2.859 76 HE3 TRP 12 HE3 TRP 12 4.754 27.023 1.966 77 HZ2 TRP 12 HZ2 TRP 12 5.989 26.866 -2.896 78 HZ3 TRP 12 HZ3 TRP 12 6.434 28.624 1.020 79 HH2 TRP 12 HH2 TRP 12 7.028 28.541 -1.402 80 H PHE 13 H PHE 13 2.405 22.817 4.379 81 HA PHE 13 HA PHE 13 2.890 25.139 6.168 82 HB2 PHE 13 1HB PHE 13 0.439 23.373 6.087 83 HB3 PHE 13 2HB PHE 13 0.629 24.916 6.926 84 HD1 PHE 13 HD1 PHE 13 -0.093 23.240 3.761 85 HD2 PHE 13 HD2 PHE 13 0.665 27.030 5.628 86 HE1 PHE 13 HE1 PHE 13 -0.900 24.399 1.722 87 HE2 PHE 13 HE2 PHE 13 -0.111 28.197 3.576 88 HZ PHE 13 HZ PHE 13 -0.867 26.862 1.609 89 H THR 14 H THR 14 2.582 24.725 8.440 90 HA THR 14 HA THR 14 4.018 22.381 9.344 91 HB THR 14 HB THR 14 3.441 23.206 11.607 92 HG1 THR 14 HG1 THR 14 2.133 24.982 11.853 93 HG21 THR 14 1HG2 THR 14 4.583 25.370 11.505 94 HG22 THR 14 2HG2 THR 14 4.314 25.456 9.752 95 HG23 THR 14 3HG2 THR 14 5.379 24.201 10.429 96 H ALA 15 H ALA 15 3.013 20.959 11.110 97 HA ALA 15 HA ALA 15 0.669 19.794 9.835 98 HB1 ALA 15 1HB ALA 15 2.721 18.593 10.699 99 HB2 ALA 15 2HB ALA 15 1.147 17.910 11.136 100 HB3 ALA 15 3HB ALA 15 2.075 18.865 12.327 101 H LEU 16 H LEU 16 -1.301 19.377 10.714 102 HA LEU 16 HA LEU 16 -2.159 21.026 13.019 103 HB2 LEU 16 1HB LEU 16 -3.522 19.020 11.183 104 HB3 LEU 16 2HB LEU 16 -4.274 19.584 12.661 105 HG LEU 16 HG LEU 16 -3.580 21.295 10.281 106 HD11 LEU 16 1HD1 LEU 16 -6.017 21.494 10.077 107 HD12 LEU 16 2HD1 LEU 16 -6.241 20.455 11.507 108 HD13 LEU 16 3HD1 LEU 16 -5.534 19.786 10.019 109 HD21 LEU 16 1HD2 LEU 16 -4.877 23.048 11.588 110 HD22 LEU 16 2HD2 LEU 16 -3.269 22.662 12.229 111 HD23 LEU 16 3HD2 LEU 16 -4.726 21.996 13.012 112 H THR 17 H THR 17 -2.648 20.106 15.048 113 HA THR 17 HA THR 17 -1.627 17.314 15.390 114 HB THR 17 HB THR 17 -1.360 19.619 17.343 115 HG1 THR 17 HG1 THR 17 -0.100 19.820 15.390 116 HG21 THR 17 1HG2 THR 17 0.315 18.075 18.368 117 HG22 THR 17 2HG2 THR 17 -0.220 16.806 17.242 118 HG23 THR 17 3HG2 THR 17 -1.356 17.471 18.446 119 H GLN 18 H GLN 18 -2.917 15.949 16.389 120 HA GLN 18 HA GLN 18 -5.591 16.843 17.133 121 HB2 GLN 18 1HB GLN 18 -5.008 14.764 15.831 122 HB3 GLN 18 2HB GLN 18 -4.276 14.102 17.286 123 HG2 GLN 18 1HG GLN 18 -7.058 15.028 17.649 124 HG3 GLN 18 2HG GLN 18 -6.858 13.735 16.462 125 HE21 GLN 18 1HE2 GLN 18 -6.890 11.337 18.954 126 HE22 GLN 18 2HE2 GLN 18 -7.454 11.907 17.389 127 H HIS 19 H HIS 19 -6.479 16.937 19.155 128 HA HIS 19 HA HIS 19 -5.038 15.584 21.378 129 HB2 HIS 19 1HB HIS 19 -4.439 17.998 21.516 130 HB3 HIS 19 2HB HIS 19 -6.156 18.413 21.496 131 HD1 HIS 19 HD1 HIS 19 -5.614 19.572 23.898 132 HD2 HIS 19 HD2 HIS 19 -5.350 15.415 23.750 133 HE1 HIS 19 HE1 HIS 19 -5.655 18.745 26.290 134 H GLY 20 H GLY 20 -6.582 13.945 21.474 135 HA2 GLY 20 1HA GLY 20 -8.941 14.063 22.790 136 HA3 GLY 20 2HA GLY 20 -9.419 14.666 21.193 137 H LYS 21 H LYS 21 -10.560 13.019 20.302 138 HA LYS 21 HA LYS 21 -9.148 10.401 20.034 139 HB2 LYS 21 1HB LYS 21 -11.949 10.951 20.990 140 HB3 LYS 21 2HB LYS 21 -11.554 9.444 20.157 141 HG2 LYS 21 1HG LYS 21 -9.754 9.026 21.780 142 HG3 LYS 21 2HG LYS 21 -10.220 10.495 22.653 143 HD2 LYS 21 1HD LYS 21 -12.378 9.557 23.212 144 HD3 LYS 21 2HD LYS 21 -12.108 8.171 22.133 145 HE2 LYS 21 1HE LYS 21 -11.737 7.511 24.468 146 HE3 LYS 21 2HE LYS 21 -10.236 7.404 23.530 147 HZ1 LYS 21 1HZ LYS 21 -9.855 8.427 25.675 148 HZ2 LYS 21 2HZ LYS 21 -10.946 9.623 25.362 149 HZ3 LYS 21 3HZ LYS 21 -9.555 9.522 24.480 150 H GLU 22 H GLU 22 -10.966 12.864 18.485 151 HA GLU 22 HA GLU 22 -11.879 11.249 16.244 152 HB2 GLU 22 1HB GLU 22 -11.399 14.241 16.456 153 HB3 GLU 22 2HB GLU 22 -12.274 13.435 15.152 154 HG2 GLU 22 1HG GLU 22 -14.015 12.715 16.681 155 HG3 GLU 22 2HG GLU 22 -13.120 13.349 18.070 156 H ASP 23 H ASP 23 -10.895 11.378 14.080 157 HA ASP 23 HA ASP 23 -7.968 11.297 14.292 158 HB2 ASP 23 1HB ASP 23 -9.953 10.170 12.516 159 HB3 ASP 23 2HB ASP 23 -8.750 11.045 11.570 160 H LEU 24 H LEU 24 -10.196 12.847 12.011 161 HA LEU 24 HA LEU 24 -9.671 15.540 12.337 162 HB2 LEU 24 1HB LEU 24 -7.307 15.194 11.611 163 HB3 LEU 24 2HB LEU 24 -7.868 14.341 10.178 164 HG LEU 24 HG LEU 24 -8.892 16.424 9.332 165 HD11 LEU 24 1HD1 LEU 24 -8.274 18.595 10.413 166 HD12 LEU 24 2HD1 LEU 24 -7.716 17.680 11.833 167 HD13 LEU 24 3HD1 LEU 24 -9.418 17.629 11.342 168 HD21 LEU 24 1HD2 LEU 24 -6.848 17.606 8.804 169 HD22 LEU 24 2HD2 LEU 24 -6.582 15.853 8.757 170 HD23 LEU 24 3HD2 LEU 24 -6.012 16.799 10.150 171 H LYS 25 H LYS 25 -11.302 16.490 11.035 172 HA LYS 25 HA LYS 25 -11.978 15.235 8.487 173 HB2 LYS 25 1HB LYS 25 -13.239 13.962 10.358 174 HB3 LYS 25 2HB LYS 25 -14.196 15.434 10.556 175 HG2 LYS 25 1HG LYS 25 -13.925 14.401 7.774 176 HG3 LYS 25 2HG LYS 25 -14.832 13.371 8.894 177 HD2 LYS 25 1HD LYS 25 -16.413 15.130 9.365 178 HD3 LYS 25 2HD LYS 25 -15.426 16.326 8.506 179 HE2 LYS 25 1HE LYS 25 -17.278 15.666 7.083 180 HE3 LYS 25 2HE LYS 25 -15.752 15.083 6.389 181 HZ1 LYS 25 1HZ LYS 25 -17.461 13.380 6.320 182 HZ2 LYS 25 2HZ LYS 25 -17.660 13.437 7.957 183 HZ3 LYS 25 3HZ LYS 25 -16.239 12.898 7.316 184 H PHE 26 H PHE 26 -12.839 16.722 7.102 185 HA PHE 26 HA PHE 26 -13.774 19.303 8.286 186 HB2 PHE 26 1HB PHE 26 -11.959 18.817 5.911 187 HB3 PHE 26 2HB PHE 26 -12.843 20.328 6.141 188 HD1 PHE 26 HD1 PHE 26 -12.640 21.056 8.876 189 HD2 PHE 26 HD2 PHE 26 -9.656 19.123 6.420 190 HE1 PHE 26 HE1 PHE 26 -10.858 21.951 10.333 191 HE2 PHE 26 HE2 PHE 26 -7.882 19.990 7.925 192 HZ PHE 26 HZ PHE 26 -8.471 21.414 9.873 193 HA PRO 27 HA PRO 27 -17.216 18.553 5.572 194 HB2 PRO 27 1HB PRO 27 -18.388 21.011 5.488 195 HB3 PRO 27 2HB PRO 27 -18.347 20.027 6.987 196 HG2 PRO 27 1HG PRO 27 -16.655 22.307 6.170 197 HG3 PRO 27 2HG PRO 27 -17.398 21.956 7.743 198 HD2 PRO 27 1HD PRO 27 -14.759 21.440 7.089 199 HD3 PRO 27 2HD PRO 27 -15.679 20.569 8.366 200 H ARG 28 H ARG 28 -18.195 19.238 3.464 201 HA ARG 28 HA ARG 28 -16.168 19.630 1.457 202 HB2 ARG 28 1HB ARG 28 -18.255 18.307 1.142 203 HB3 ARG 28 2HB ARG 28 -19.203 19.793 1.246 204 HG2 ARG 28 1HG ARG 28 -17.041 19.685 -0.833 205 HG3 ARG 28 2HG ARG 28 -18.488 18.693 -1.099 206 HD2 ARG 28 1HD ARG 28 -19.927 20.653 -0.880 207 HD3 ARG 28 2HD ARG 28 -18.541 21.672 -0.488 208 HE ARG 28 HE ARG 28 -18.296 20.337 -3.060 209 HH11 ARG 28 1HH1 ARG 28 -19.542 23.231 -1.455 210 HH12 ARG 28 2HH1 ARG 28 -19.483 24.178 -2.936 211 HH21 ARG 28 1HH2 ARG 28 -18.275 21.619 -4.889 212 HH22 ARG 28 2HH2 ARG 28 -18.778 23.295 -4.812 213 H GLY 29 H GLY 29 -15.545 21.435 0.314 214 HA2 GLY 29 1HA GLY 29 -15.727 23.613 -0.519 215 HA3 GLY 29 2HA GLY 29 -17.170 23.881 0.478 216 H GLN 30 H GLN 30 -14.868 22.418 2.354 217 HA GLN 30 HA GLN 30 -13.631 24.944 3.324 218 HB2 GLN 30 1HB GLN 30 -15.604 23.118 4.652 219 HB3 GLN 30 2HB GLN 30 -14.339 23.816 5.647 220 HG2 GLN 30 1HG GLN 30 -15.073 26.062 5.038 221 HG3 GLN 30 2HG GLN 30 -16.354 25.369 4.024 222 HE21 GLN 30 1HE2 GLN 30 -16.648 25.136 8.114 223 HE22 GLN 30 2HE2 GLN 30 -15.070 25.287 7.357 224 H GLY 31 H GLY 31 -12.222 24.205 5.314 225 HA2 GLY 31 1HA GLY 31 -10.915 22.554 6.372 226 HA3 GLY 31 2HA GLY 31 -11.222 21.446 5.031 227 H VAL 32 H VAL 32 -10.552 23.509 3.023 228 HA VAL 32 HA VAL 32 -7.752 22.958 2.807 229 HB VAL 32 HB VAL 32 -9.461 25.131 1.469 230 HG11 VAL 32 1HG1 VAL 32 -7.661 25.112 -0.236 231 HG12 VAL 32 2HG1 VAL 32 -6.686 24.114 0.845 232 HG13 VAL 32 3HG1 VAL 32 -7.167 25.762 1.318 233 HG21 VAL 32 1HG2 VAL 32 -9.485 23.602 -0.475 234 HG22 VAL 32 2HG2 VAL 32 -10.259 22.860 0.940 235 HG23 VAL 32 3HG2 VAL 32 -8.608 22.382 0.468 236 HA PRO 33 HA PRO 33 -6.578 26.136 5.710 237 HB2 PRO 33 1HB PRO 33 -3.871 25.910 5.458 238 HB3 PRO 33 2HB PRO 33 -4.871 24.678 6.285 239 HG2 PRO 33 1HG PRO 33 -3.808 24.678 3.509 240 HG3 PRO 33 2HG PRO 33 -3.796 23.384 4.729 241 HD2 PRO 33 1HD PRO 33 -5.594 23.442 2.767 242 HD3 PRO 33 2HD PRO 33 -5.962 22.806 4.395 243 H ILE 34 H ILE 34 -5.144 28.138 5.668 244 HA ILE 34 HA ILE 34 -5.762 29.612 3.260 245 HB ILE 34 HB ILE 34 -3.988 30.329 5.617 246 HG12 ILE 34 1HG1 ILE 34 -6.821 31.132 4.874 247 HG13 ILE 34 2HG1 ILE 34 -6.389 29.938 6.096 248 HG21 ILE 34 1HG2 ILE 34 -3.418 31.618 3.519 249 HG22 ILE 34 2HG2 ILE 34 -4.074 32.636 4.802 250 HG23 ILE 34 3HG2 ILE 34 -5.113 32.154 3.436 251 HD11 ILE 34 1HD1 ILE 34 -6.895 31.948 7.192 252 HD12 ILE 34 2HD1 ILE 34 -5.813 32.867 6.132 253 HD13 ILE 34 3HD1 ILE 34 -5.146 31.694 7.295 254 H ASN 35 H ASN 35 -4.843 29.203 1.493 255 HA ASN 35 HA ASN 35 -2.011 28.336 1.449 256 HB2 ASN 35 1HB ASN 35 -4.103 28.250 -0.723 257 HB3 ASN 35 2HB ASN 35 -2.451 27.679 -0.886 258 HD21 ASN 35 1HD2 ASN 35 -4.863 24.909 -0.060 259 HD22 ASN 35 2HD2 ASN 35 -4.953 26.241 -1.182 260 H THR 36 H THR 36 -1.064 30.325 1.835 261 HA THR 36 HA THR 36 -1.609 32.707 0.333 262 HB THR 36 HB THR 36 0.554 33.474 1.292 263 HG1 THR 36 HG1 THR 36 1.849 32.008 2.364 264 HG21 THR 36 1HG2 THR 36 -1.523 33.315 2.731 265 HG22 THR 36 2HG2 THR 36 0.011 33.228 3.623 266 HG23 THR 36 3HG2 THR 36 -0.913 31.743 3.307 267 H ASN 37 H ASN 37 0.036 29.863 -0.447 268 HA ASN 37 HA ASN 37 1.693 31.170 -2.555 269 HB2 ASN 37 1HB ASN 37 3.006 29.092 -2.519 270 HB3 ASN 37 2HB ASN 37 2.880 29.775 -0.892 271 HD21 ASN 37 1HD2 ASN 37 1.194 27.046 0.485 272 HD22 ASN 37 2HD2 ASN 37 1.814 28.668 0.706 273 H SER 38 H SER 38 -1.333 30.410 -2.739 274 HA SER 38 HA SER 38 -1.004 28.768 -5.203 275 HB2 SER 38 1HB SER 38 -3.070 28.220 -3.062 276 HB3 SER 38 2HB SER 38 -2.748 27.260 -4.505 277 HG SER 38 HG SER 38 -0.456 27.386 -3.365 278 H SER 39 H SER 39 -2.556 28.876 -6.771 279 HA SER 39 HA SER 39 -4.124 31.309 -6.992 280 HB2 SER 39 1HB SER 39 -4.321 28.786 -8.643 281 HB3 SER 39 2HB SER 39 -4.645 30.452 -9.165 282 HG SER 39 HG SER 39 -2.286 29.049 -8.969 283 HA PRO 40 HA PRO 40 -7.810 29.853 -5.236 284 HB2 PRO 40 1HB PRO 40 -9.899 30.405 -6.924 285 HB3 PRO 40 2HB PRO 40 -9.021 31.669 -6.003 286 HG2 PRO 40 1HG PRO 40 -8.583 30.781 -8.849 287 HG3 PRO 40 2HG PRO 40 -8.829 32.440 -8.210 288 HD2 PRO 40 1HD PRO 40 -6.358 31.512 -8.692 289 HD3 PRO 40 2HD PRO 40 -6.685 32.496 -7.224 290 H ASP 41 H ASP 41 -7.287 28.747 -8.593 291 HA ASP 41 HA ASP 41 -9.078 26.472 -8.278 292 HB2 ASP 41 1HB ASP 41 -8.323 25.731 -10.370 293 HB3 ASP 41 2HB ASP 41 -8.445 27.490 -10.493 294 H ASP 42 H ASP 42 -5.868 27.222 -7.338 295 HA ASP 42 HA ASP 42 -4.827 24.512 -7.302 296 HB2 ASP 42 1HB ASP 42 -3.842 27.162 -6.301 297 HB3 ASP 42 2HB ASP 42 -2.980 25.672 -5.974 298 H GLN 43 H GLN 43 -6.859 26.232 -5.220 299 HA GLN 43 HA GLN 43 -5.859 25.648 -2.658 300 HB2 GLN 43 1HB GLN 43 -8.721 25.846 -3.633 301 HB3 GLN 43 2HB GLN 43 -8.225 25.937 -1.949 302 HG2 GLN 43 1HG GLN 43 -7.488 27.879 -4.139 303 HG3 GLN 43 2HG GLN 43 -8.621 28.173 -2.822 304 HE21 GLN 43 1HE2 GLN 43 -4.793 29.087 -2.417 305 HE22 GLN 43 2HE2 GLN 43 -5.625 28.810 -3.927 306 H ILE 44 H ILE 44 -7.454 23.442 -4.845 307 HA ILE 44 HA ILE 44 -8.541 21.597 -3.038 308 HB ILE 44 HB ILE 44 -8.954 21.649 -5.449 309 HG12 ILE 44 1HG1 ILE 44 -7.838 18.951 -4.708 310 HG13 ILE 44 2HG1 ILE 44 -9.319 19.610 -4.017 311 HG21 ILE 44 1HG2 ILE 44 -6.753 22.188 -6.308 312 HG22 ILE 44 2HG2 ILE 44 -7.294 20.680 -7.047 313 HG23 ILE 44 3HG2 ILE 44 -6.101 20.631 -5.749 314 HD11 ILE 44 1HD1 ILE 44 -10.247 19.846 -6.305 315 HD12 ILE 44 2HD1 ILE 44 -9.870 18.168 -5.852 316 HD13 ILE 44 3HD1 ILE 44 -8.764 19.034 -6.929 317 H GLY 45 H GLY 45 -7.892 19.824 -1.895 318 HA2 GLY 45 1HA GLY 45 -5.365 18.560 -2.271 319 HA3 GLY 45 2HA GLY 45 -5.222 19.748 -0.980 320 H TYR 46 H TYR 46 -4.661 17.940 0.348 321 HA TYR 46 HA TYR 46 -7.044 16.908 1.701 322 HB2 TYR 46 1HB TYR 46 -6.441 14.585 1.513 323 HB3 TYR 46 2HB TYR 46 -6.547 15.241 -0.108 324 HD1 TYR 46 HD1 TYR 46 -4.392 13.892 2.499 325 HD2 TYR 46 HD2 TYR 46 -4.492 15.548 -1.471 326 HE1 TYR 46 HE1 TYR 46 -2.078 12.994 2.019 327 HE2 TYR 46 HE2 TYR 46 -2.191 14.688 -1.917 328 HH TYR 46 HH TYR 46 -0.400 13.531 -1.096 329 H TYR 47 H TYR 47 -6.269 15.673 3.739 330 HA TYR 47 HA TYR 47 -3.586 16.748 4.567 331 HB2 TYR 47 1HB TYR 47 -5.991 16.101 6.251 332 HB3 TYR 47 2HB TYR 47 -4.394 16.362 6.894 333 HD1 TYR 47 HD1 TYR 47 -3.843 18.446 7.727 334 HD2 TYR 47 HD2 TYR 47 -6.869 18.210 4.667 335 HE1 TYR 47 HE1 TYR 47 -4.322 20.866 7.986 336 HE2 TYR 47 HE2 TYR 47 -7.326 20.622 4.949 337 HH TYR 47 HH TYR 47 -6.911 22.506 6.175 338 H ARG 48 H ARG 48 -2.173 15.374 5.431 339 HA ARG 48 HA ARG 48 -2.747 12.462 5.058 340 HB2 ARG 48 1HB ARG 48 -1.115 13.819 3.594 341 HB3 ARG 48 2HB ARG 48 -0.077 13.925 5.000 342 HG2 ARG 48 1HG ARG 48 0.285 11.545 5.002 343 HG3 ARG 48 2HG ARG 48 -0.980 11.311 3.774 344 HD2 ARG 48 1HD ARG 48 0.299 12.797 2.229 345 HD3 ARG 48 2HD ARG 48 1.600 12.862 3.429 346 HE ARG 48 HE ARG 48 0.972 10.138 2.722 347 HH11 ARG 48 1HH1 ARG 48 2.619 13.003 1.490 348 HH12 ARG 48 2HH1 ARG 48 3.756 12.083 0.541 349 HH21 ARG 48 1HH2 ARG 48 2.442 9.004 1.453 350 HH22 ARG 48 2HH2 ARG 48 3.636 9.854 0.508 351 H ARG 49 H ARG 49 -2.897 11.376 6.953 352 HA ARG 49 HA ARG 49 -1.979 12.449 9.469 353 HB2 ARG 49 1HB ARG 49 -3.793 10.731 9.110 354 HB3 ARG 49 2HB ARG 49 -2.532 9.547 8.760 355 HG2 ARG 49 1HG ARG 49 -1.702 9.627 10.998 356 HG3 ARG 49 2HG ARG 49 -2.636 11.090 11.368 357 HD2 ARG 49 1HD ARG 49 -3.672 9.095 12.375 358 HD3 ARG 49 2HD ARG 49 -4.734 9.841 11.176 359 HE ARG 49 HE ARG 49 -3.239 7.835 9.870 360 HH11 ARG 49 1HH1 ARG 49 -5.836 8.080 12.257 361 HH12 ARG 49 2HH1 ARG 49 -6.444 6.492 11.870 362 HH21 ARG 49 1HH2 ARG 49 -4.081 5.811 9.429 363 HH22 ARG 49 2HH2 ARG 49 -5.485 5.251 10.303 364 H ALA 50 H ALA 50 -0.086 12.159 10.584 365 HA ALA 50 HA ALA 50 1.950 10.291 9.532 366 HB1 ALA 50 1HB ALA 50 2.258 12.369 8.210 367 HB2 ALA 50 2HB ALA 50 3.626 12.096 9.317 368 HB3 ALA 50 3HB ALA 50 2.377 13.295 9.726 369 H THR 51 H THR 51 3.578 9.815 11.010 370 HA THR 51 HA THR 51 3.554 11.189 13.643 371 HB THR 51 HB THR 51 3.846 8.906 14.732 372 HG1 THR 51 HG1 THR 51 4.242 7.846 12.668 373 HG21 THR 51 1HG2 THR 51 1.482 8.357 14.812 374 HG22 THR 51 2HG2 THR 51 1.176 9.335 13.360 375 HG23 THR 51 3HG2 THR 51 1.712 10.118 14.867 376 H ARG 52 H ARG 52 5.565 11.402 14.507 377 HA ARG 52 HA ARG 52 7.722 9.602 13.519 378 HB2 ARG 52 1HB ARG 52 7.574 11.924 12.259 379 HB3 ARG 52 2HB ARG 52 8.278 12.560 13.748 380 HG2 ARG 52 1HG ARG 52 10.113 12.162 12.315 381 HG3 ARG 52 2HG ARG 52 10.124 10.782 13.434 382 HD2 ARG 52 1HD ARG 52 8.926 9.414 11.742 383 HD3 ARG 52 2HD ARG 52 8.900 10.801 10.639 384 HE ARG 52 HE ARG 52 11.592 10.315 11.360 385 HH11 ARG 52 1HH1 ARG 52 9.049 8.702 9.515 386 HH12 ARG 52 2HH1 ARG 52 10.188 7.908 8.462 387 HH21 ARG 52 1HH2 ARG 52 12.989 9.254 9.983 388 HH22 ARG 52 2HH2 ARG 52 12.373 8.203 8.736 389 H ARG 53 H ARG 53 8.779 8.817 15.249 390 HA ARG 53 HA ARG 53 8.684 10.414 17.778 391 HB2 ARG 53 1HB ARG 53 7.044 8.546 17.753 392 HB3 ARG 53 2HB ARG 53 8.342 7.414 17.396 393 HG2 ARG 53 1HG ARG 53 8.606 9.060 19.888 394 HG3 ARG 53 2HG ARG 53 7.371 7.791 19.857 395 HD2 ARG 53 1HD ARG 53 9.438 6.376 18.846 396 HD3 ARG 53 2HD ARG 53 10.354 7.531 19.824 397 HE ARG 53 HE ARG 53 8.518 5.420 20.753 398 HH11 ARG 53 1HH1 ARG 53 10.432 8.247 21.722 399 HH12 ARG 53 2HH1 ARG 53 10.390 7.783 23.402 400 HH21 ARG 53 1HH2 ARG 53 8.522 4.921 22.904 401 HH22 ARG 53 2HH2 ARG 53 9.334 5.943 24.057 402 H ILE 54 H ILE 54 10.395 10.681 18.840 403 HA ILE 54 HA ILE 54 12.775 9.034 18.215 404 HB ILE 54 HB ILE 54 14.167 10.878 18.050 405 HG12 ILE 54 1HG1 ILE 54 13.598 12.100 20.068 406 HG13 ILE 54 2HG1 ILE 54 13.764 13.174 18.703 407 HG21 ILE 54 1HG2 ILE 54 13.328 12.397 16.375 408 HG22 ILE 54 2HG2 ILE 54 11.648 12.027 16.809 409 HG23 ILE 54 3HG2 ILE 54 12.688 10.765 16.095 410 HD11 ILE 54 1HD1 ILE 54 11.148 12.287 19.914 411 HD12 ILE 54 2HD1 ILE 54 11.359 13.397 18.540 412 HD13 ILE 54 3HD1 ILE 54 11.956 13.850 20.143 413 H ARG 55 H ARG 55 14.405 9.631 20.117 414 HA ARG 55 HA ARG 55 12.938 10.234 22.635 415 HB2 ARG 55 1HB ARG 55 12.998 7.779 22.601 416 HB3 ARG 55 2HB ARG 55 14.722 7.797 22.225 417 HG2 ARG 55 1HG ARG 55 14.375 7.247 24.583 418 HG3 ARG 55 2HG ARG 55 15.223 8.789 24.433 419 HD2 ARG 55 1HD ARG 55 13.105 10.006 24.867 420 HD3 ARG 55 2HD ARG 55 12.248 8.455 25.005 421 HE ARG 55 HE ARG 55 14.472 8.475 26.793 422 HH11 ARG 55 1HH1 ARG 55 11.303 10.022 26.494 423 HH12 ARG 55 2HH1 ARG 55 11.137 10.207 28.217 424 HH21 ARG 55 1HH2 ARG 55 14.189 8.771 28.975 425 HH22 ARG 55 2HH2 ARG 55 12.745 9.528 29.590 426 H GLY 56 H GLY 56 13.918 12.109 23.124 427 HA2 GLY 56 1HA GLY 56 16.725 12.554 22.476 428 HA3 GLY 56 2HA GLY 56 15.673 13.599 23.469 429 H GLY 57 H GLY 57 18.409 12.837 24.124 430 HA2 GLY 57 1HA GLY 57 18.373 10.703 26.073 431 HA3 GLY 57 2HA GLY 57 19.628 11.958 25.903 432 H ASP 58 H ASP 58 17.800 14.133 26.028 433 HA ASP 58 HA ASP 58 17.442 14.392 28.923 434 HB2 ASP 58 1HB ASP 58 18.424 16.140 27.345 435 HB3 ASP 58 2HB ASP 58 16.793 16.349 26.703 436 H GLY 59 H GLY 59 15.757 12.687 26.919 437 HA2 GLY 59 1HA GLY 59 13.693 11.757 27.360 438 HA3 GLY 59 2HA GLY 59 13.313 13.085 28.449 439 H LYS 60 H LYS 60 14.085 14.834 25.906 440 HA LYS 60 HA LYS 60 11.465 15.525 25.321 441 HB2 LYS 60 1HB LYS 60 14.124 16.062 24.038 442 HB3 LYS 60 2HB LYS 60 12.631 16.611 23.249 443 HG2 LYS 60 1HG LYS 60 12.822 18.446 24.543 444 HG3 LYS 60 2HG LYS 60 12.159 17.398 25.802 445 HD2 LYS 60 1HD LYS 60 13.976 18.482 26.799 446 HD3 LYS 60 2HD LYS 60 14.528 16.839 26.469 447 HE2 LYS 60 1HE LYS 60 16.130 17.531 25.043 448 HE3 LYS 60 2HE LYS 60 15.061 18.730 24.266 449 HZ1 LYS 60 1HZ LYS 60 15.431 20.209 26.142 450 HZ2 LYS 60 2HZ LYS 60 16.896 19.777 25.517 451 HZ3 LYS 60 3HZ LYS 60 16.359 19.090 26.923 452 H MET 61 H MET 61 10.117 15.352 23.813 453 HA MET 61 HA MET 61 10.278 12.989 21.983 454 HB2 MET 61 1HB MET 61 7.933 14.250 23.458 455 HB3 MET 61 2HB MET 61 7.766 12.972 22.255 456 HG2 MET 61 1HG MET 61 9.359 12.698 24.823 457 HG3 MET 61 2HG MET 61 7.680 12.175 24.623 458 HE1 MET 61 1HE MET 61 7.837 9.145 22.243 459 HE2 MET 61 2HE MET 61 7.401 10.812 21.809 460 HE3 MET 61 3HE MET 61 6.861 10.124 23.358 461 H LYS 62 H LYS 62 8.436 13.296 20.228 462 HA LYS 62 HA LYS 62 8.484 16.104 19.183 463 HB2 LYS 62 1HB LYS 62 10.024 15.095 17.758 464 HB3 LYS 62 2HB LYS 62 9.232 13.526 17.840 465 HG2 LYS 62 1HG LYS 62 9.042 14.455 15.610 466 HG3 LYS 62 2HG LYS 62 7.470 14.270 16.359 467 HD2 LYS 62 1HD LYS 62 7.367 16.320 15.217 468 HD3 LYS 62 2HD LYS 62 7.557 16.767 16.915 469 HE2 LYS 62 1HE LYS 62 9.967 17.130 16.563 470 HE3 LYS 62 2HE LYS 62 9.797 16.625 14.866 471 HZ1 LYS 62 1HZ LYS 62 9.688 19.060 15.064 472 HZ2 LYS 62 2HZ LYS 62 8.415 18.968 16.107 473 HZ3 LYS 62 3HZ LYS 62 8.230 18.493 14.543 474 H ASP 63 H ASP 63 6.965 12.870 18.818 475 HA ASP 63 HA ASP 63 4.328 14.260 18.657 476 HB2 ASP 63 1HB ASP 63 5.265 11.675 17.348 477 HB3 ASP 63 2HB ASP 63 3.575 12.190 17.434 478 H LEU 64 H LEU 64 2.675 13.344 19.748 479 HA LEU 64 HA LEU 64 3.214 11.025 21.552 480 HB2 LEU 64 1HB LEU 64 1.928 13.698 22.279 481 HB3 LEU 64 2HB LEU 64 1.663 12.233 23.194 482 HG LEU 64 HG LEU 64 3.145 13.530 24.440 483 HD11 LEU 64 1HD1 LEU 64 5.111 12.143 24.675 484 HD12 LEU 64 2HD1 LEU 64 4.890 11.479 23.038 485 HD13 LEU 64 3HD1 LEU 64 3.706 11.119 24.319 486 HD21 LEU 64 1HD2 LEU 64 5.206 14.513 23.714 487 HD22 LEU 64 2HD2 LEU 64 3.926 15.039 22.605 488 HD23 LEU 64 3HD2 LEU 64 5.069 13.771 22.107 489 H SER 65 H SER 65 1.007 13.350 20.059 490 HA SER 65 HA SER 65 -1.027 11.220 19.601 491 HB2 SER 65 1HB SER 65 -1.743 13.222 20.940 492 HB3 SER 65 2HB SER 65 -1.280 14.263 19.578 493 HG SER 65 HG SER 65 -3.472 13.826 19.474 494 HA PRO 66 HA PRO 66 0.326 11.638 15.425 495 HB2 PRO 66 1HB PRO 66 -1.889 11.243 13.876 496 HB3 PRO 66 2HB PRO 66 -1.137 9.924 14.829 497 HG2 PRO 66 1HG PRO 66 -3.458 11.689 15.573 498 HG3 PRO 66 2HG PRO 66 -3.367 9.897 15.565 499 HD2 PRO 66 1HD PRO 66 -2.975 11.257 17.832 500 HD3 PRO 66 2HD PRO 66 -1.934 9.850 17.437 501 H ARG 67 H ARG 67 0.454 12.974 13.580 502 HA ARG 67 HA ARG 67 -1.023 15.563 13.835 503 HB2 ARG 67 1HB ARG 67 1.659 14.856 12.603 504 HB3 ARG 67 2HB ARG 67 0.911 16.452 12.583 505 HG2 ARG 67 1HG ARG 67 1.071 16.626 14.970 506 HG3 ARG 67 2HG ARG 67 1.729 14.973 15.075 507 HD2 ARG 67 1HD ARG 67 3.599 15.613 13.669 508 HD3 ARG 67 2HD ARG 67 2.948 17.243 13.531 509 HE ARG 67 HE ARG 67 4.252 15.997 15.870 510 HH11 ARG 67 1HH1 ARG 67 2.612 18.882 14.635 511 HH12 ARG 67 2HH1 ARG 67 3.188 19.868 15.946 512 HH21 ARG 67 1HH2 ARG 67 4.893 17.292 17.513 513 HH22 ARG 67 2HH2 ARG 67 4.458 18.986 17.547 514 H TRP 68 H TRP 68 -1.364 16.646 11.742 515 HA TRP 68 HA TRP 68 -1.552 14.748 9.437 516 HB2 TRP 68 1HB TRP 68 -3.634 16.703 10.456 517 HB3 TRP 68 2HB TRP 68 -3.665 16.008 8.837 518 HD1 TRP 68 HD1 TRP 68 -3.727 14.718 12.517 519 HE1 TRP 68 HE1 TRP 68 -5.170 12.630 12.670 520 HE3 TRP 68 HE3 TRP 68 -4.801 14.229 7.539 521 HZ2 TRP 68 HZ2 TRP 68 -6.584 10.945 10.865 522 HZ3 TRP 68 HZ3 TRP 68 -6.281 12.354 6.812 523 HH2 TRP 68 HH2 TRP 68 -7.178 10.734 8.490 524 H TYR 69 H TYR 69 -0.625 15.583 7.633 525 HA TYR 69 HA TYR 69 0.216 18.473 7.734 526 HB2 TYR 69 1HB TYR 69 1.376 16.029 6.334 527 HB3 TYR 69 2HB TYR 69 1.930 17.677 6.048 528 HD1 TYR 69 HD1 TYR 69 3.803 18.442 7.233 529 HD2 TYR 69 HD2 TYR 69 1.446 15.284 8.976 530 HE1 TYR 69 HE1 TYR 69 5.470 18.201 9.077 531 HE2 TYR 69 HE2 TYR 69 3.112 15.073 10.818 532 HH TYR 69 HH TYR 69 5.055 15.813 11.709 533 H PHE 70 H PHE 70 -0.291 19.753 5.872 534 HA PHE 70 HA PHE 70 -2.468 18.635 4.247 535 HB2 PHE 70 1HB PHE 70 -2.819 20.854 5.206 536 HB3 PHE 70 2HB PHE 70 -1.350 21.450 4.423 537 HD1 PHE 70 HD1 PHE 70 -4.694 19.933 3.642 538 HD2 PHE 70 HD2 PHE 70 -1.447 22.367 2.243 539 HE1 PHE 70 HE1 PHE 70 -6.001 20.494 1.599 540 HE2 PHE 70 HE2 PHE 70 -2.755 22.959 0.212 541 HZ PHE 70 HZ PHE 70 -5.038 22.026 -0.118 542 H TYR 71 H TYR 71 -2.406 18.273 2.152 543 HA TYR 71 HA TYR 71 0.097 18.846 0.650 544 HB2 TYR 71 1HB TYR 71 -1.017 16.294 1.643 545 HB3 TYR 71 2HB TYR 71 -0.495 16.283 -0.070 546 HD1 TYR 71 HD1 TYR 71 1.927 16.899 -0.587 547 HD2 TYR 71 HD2 TYR 71 0.535 16.241 3.430 548 HE1 TYR 71 HE1 TYR 71 4.266 16.641 0.185 549 HE2 TYR 71 HE2 TYR 71 2.892 15.970 4.193 550 HH TYR 71 HH TYR 71 5.649 16.131 1.897 551 H TYR 72 H TYR 72 -0.345 19.078 -1.562 552 HA TYR 72 HA TYR 72 -3.142 19.724 -2.111 553 HB2 TYR 72 1HB TYR 72 -0.623 19.995 -3.767 554 HB3 TYR 72 2HB TYR 72 -2.225 20.558 -4.248 555 HD1 TYR 72 HD1 TYR 72 -3.063 22.658 -3.556 556 HD2 TYR 72 HD2 TYR 72 0.441 21.053 -1.637 557 HE1 TYR 72 HE1 TYR 72 -2.671 24.842 -2.430 558 HE2 TYR 72 HE2 TYR 72 0.791 23.235 -0.481 559 HH TYR 72 HH TYR 72 -1.154 26.092 -1.211 560 H LEU 73 H LEU 73 -4.250 19.006 -4.095 561 HA LEU 73 HA LEU 73 -4.398 16.187 -4.318 562 HB2 LEU 73 1HB LEU 73 -6.198 17.615 -5.057 563 HB3 LEU 73 2HB LEU 73 -5.173 18.422 -6.218 564 HG LEU 73 HG LEU 73 -5.234 16.590 -7.689 565 HD11 LEU 73 1HD1 LEU 73 -6.837 15.010 -5.659 566 HD12 LEU 73 2HD1 LEU 73 -5.162 14.659 -6.109 567 HD13 LEU 73 3HD1 LEU 73 -6.442 14.486 -7.308 568 HD21 LEU 73 1HD2 LEU 73 -7.474 16.403 -8.306 569 HD22 LEU 73 2HD2 LEU 73 -7.095 18.046 -7.760 570 HD23 LEU 73 3HD2 LEU 73 -7.983 16.930 -6.689 571 H GLY 74 H GLY 74 -3.237 14.668 -5.398 572 HA2 GLY 74 1HA GLY 74 -1.830 13.769 -6.979 573 HA3 GLY 74 2HA GLY 74 -1.852 15.307 -7.838 574 H THR 75 H THR 75 -0.760 15.241 -4.465 575 HA THR 75 HA THR 75 2.018 15.565 -5.524 576 HB THR 75 HB THR 75 2.554 16.669 -3.359 577 HG1 THR 75 HG1 THR 75 -0.275 16.727 -2.967 578 HG21 THR 75 1HG2 THR 75 1.392 18.769 -3.814 579 HG22 THR 75 2HG2 THR 75 0.257 17.919 -4.889 580 HG23 THR 75 3HG2 THR 75 1.986 18.011 -5.306 581 H GLY 76 H GLY 76 3.693 14.531 -4.595 582 HA2 GLY 76 1HA GLY 76 4.614 13.016 -2.953 583 HA3 GLY 76 2HA GLY 76 3.035 12.225 -2.812 584 HA PRO 77 HA PRO 77 5.601 10.985 -6.732 585 HB2 PRO 77 1HB PRO 77 7.451 9.109 -5.929 586 HB3 PRO 77 2HB PRO 77 7.784 10.857 -6.019 587 HG2 PRO 77 1HG PRO 77 7.001 9.246 -3.622 588 HG3 PRO 77 2HG PRO 77 8.364 10.394 -3.814 589 HD2 PRO 77 1HD PRO 77 6.062 11.157 -2.662 590 HD3 PRO 77 2HD PRO 77 6.937 12.263 -3.781 591 H GLU 78 H GLU 78 5.078 8.741 -4.017 592 HA GLU 78 HA GLU 78 3.809 6.812 -5.922 593 HB2 GLU 78 1HB GLU 78 5.039 6.375 -3.174 594 HB3 GLU 78 2HB GLU 78 4.205 5.135 -4.127 595 HG2 GLU 78 1HG GLU 78 5.882 5.411 -5.932 596 HG3 GLU 78 2HG GLU 78 6.743 6.592 -4.928 597 H ALA 79 H ALA 79 2.623 9.265 -4.873 598 HA ALA 79 HA ALA 79 0.991 8.631 -2.614 599 HB1 ALA 79 1HB ALA 79 0.645 10.682 -4.837 600 HB2 ALA 79 2HB ALA 79 1.363 10.934 -3.233 601 HB3 ALA 79 3HB ALA 79 -0.372 10.595 -3.377 602 H GLY 80 H GLY 80 0.393 8.573 -6.154 603 HA2 GLY 80 1HA GLY 80 -1.239 7.500 -7.394 604 HA3 GLY 80 2HA GLY 80 -1.177 6.249 -6.139 605 H LEU 81 H LEU 81 -2.273 9.665 -5.841 606 HA LEU 81 HA LEU 81 -4.880 8.602 -4.989 607 HB2 LEU 81 1HB LEU 81 -2.997 10.614 -3.830 608 HB3 LEU 81 2HB LEU 81 -4.706 10.803 -3.590 609 HG LEU 81 HG LEU 81 -3.072 8.442 -2.682 610 HD11 LEU 81 1HD1 LEU 81 -4.364 10.755 -1.191 611 HD12 LEU 81 2HD1 LEU 81 -2.621 10.501 -1.441 612 HD13 LEU 81 3HD1 LEU 81 -3.546 9.372 -0.434 613 HD21 LEU 81 1HD2 LEU 81 -5.109 7.749 -1.478 614 HD22 LEU 81 2HD2 LEU 81 -5.353 7.728 -3.235 615 HD23 LEU 81 3HD2 LEU 81 -6.015 9.052 -2.249 616 HA PRO 82 HA PRO 82 -6.445 11.794 -7.817 617 HB2 PRO 82 1HB PRO 82 -8.689 10.401 -8.477 618 HB3 PRO 82 2HB PRO 82 -7.113 10.048 -9.260 619 HG2 PRO 82 1HG PRO 82 -8.514 8.593 -7.051 620 HG3 PRO 82 2HG PRO 82 -7.593 7.947 -8.427 621 HD2 PRO 82 1HD PRO 82 -6.628 8.189 -5.898 622 HD3 PRO 82 2HD PRO 82 -5.619 8.087 -7.353 623 H TYR 83 H TYR 83 -8.491 13.042 -7.385 624 HA TYR 83 HA TYR 83 -8.825 13.400 -4.594 625 HB2 TYR 83 1HB TYR 83 -9.235 15.083 -6.409 626 HB3 TYR 83 2HB TYR 83 -10.723 14.226 -6.802 627 HD1 TYR 83 HD1 TYR 83 -12.691 14.406 -5.303 628 HD2 TYR 83 HD2 TYR 83 -8.976 16.327 -4.294 629 HE1 TYR 83 HE1 TYR 83 -13.842 15.716 -3.513 630 HE2 TYR 83 HE2 TYR 83 -10.134 17.639 -2.524 631 HH TYR 83 HH TYR 83 -13.614 17.253 -1.836 632 H GLY 84 H GLY 84 -10.185 12.566 -3.120 633 HA2 GLY 84 1HA GLY 84 -12.150 11.558 -2.349 634 HA3 GLY 84 2HA GLY 84 -12.585 11.109 -3.999 635 H ALA 85 H ALA 85 -9.474 10.057 -3.902 636 HA ALA 85 HA ALA 85 -10.291 7.332 -3.557 637 HB1 ALA 85 1HB ALA 85 -8.480 7.690 -4.981 638 HB2 ALA 85 2HB ALA 85 -7.781 6.911 -3.549 639 HB3 ALA 85 3HB ALA 85 -7.599 8.666 -3.790 640 H ASN 86 H ASN 86 -10.380 6.032 -1.888 641 HA ASN 86 HA ASN 86 -9.952 7.118 0.791 642 HB2 ASN 86 1HB ASN 86 -11.872 5.614 0.110 643 HB3 ASN 86 2HB ASN 86 -10.702 4.296 -0.059 644 HD21 ASN 86 1HD2 ASN 86 -11.941 3.719 3.254 645 HD22 ASN 86 2HD2 ASN 86 -12.314 3.422 1.574 646 H LYS 87 H LYS 87 -8.210 6.810 2.064 647 HA LYS 87 HA LYS 87 -6.413 4.523 1.682 648 HB2 LYS 87 1HB LYS 87 -5.633 6.141 -0.015 649 HB3 LYS 87 2HB LYS 87 -5.496 7.371 1.198 650 HG2 LYS 87 1HG LYS 87 -3.584 6.433 2.185 651 HG3 LYS 87 2HG LYS 87 -3.919 4.819 1.524 652 HD2 LYS 87 1HD LYS 87 -3.095 7.204 -0.171 653 HD3 LYS 87 2HD LYS 87 -1.959 6.014 0.474 654 HE2 LYS 87 1HE LYS 87 -3.248 4.201 -0.725 655 HE3 LYS 87 2HE LYS 87 -4.265 5.451 -1.459 656 HZ1 LYS 87 1HZ LYS 87 -1.346 5.134 -1.868 657 HZ2 LYS 87 2HZ LYS 87 -2.243 6.360 -2.503 658 HZ3 LYS 87 3HZ LYS 87 -2.529 4.806 -2.967 659 H ASP 88 H ASP 88 -4.958 4.375 3.522 660 HA ASP 88 HA ASP 88 -6.172 5.096 5.971 661 HB2 ASP 88 1HB ASP 88 -4.554 3.224 5.671 662 HB3 ASP 88 2HB ASP 88 -3.256 4.404 5.437 663 H GLY 89 H GLY 89 -6.264 6.945 7.035 664 HA2 GLY 89 1HA GLY 89 -5.604 8.961 7.918 665 HA3 GLY 89 2HA GLY 89 -3.964 8.603 7.369 666 H ILE 90 H ILE 90 -6.716 8.836 5.116 667 HA ILE 90 HA ILE 90 -5.592 11.453 4.212 668 HB ILE 90 HB ILE 90 -6.647 9.176 2.442 669 HG12 ILE 90 1HG1 ILE 90 -4.397 8.733 3.325 670 HG13 ILE 90 2HG1 ILE 90 -4.389 9.005 1.594 671 HG21 ILE 90 1HG2 ILE 90 -5.892 10.674 0.547 672 HG22 ILE 90 2HG2 ILE 90 -5.650 11.982 1.729 673 HG23 ILE 90 3HG2 ILE 90 -7.272 11.315 1.452 674 HD11 ILE 90 1HD1 ILE 90 -3.664 11.202 3.500 675 HD12 ILE 90 2HD1 ILE 90 -3.325 11.051 1.762 676 HD13 ILE 90 3HD1 ILE 90 -2.501 9.986 2.915 677 H ILE 91 H ILE 91 -6.940 13.059 4.145 678 HA ILE 91 HA ILE 91 -9.864 12.492 3.773 679 HB ILE 91 HB ILE 91 -10.330 14.523 5.210 680 HG12 ILE 91 1HG1 ILE 91 -7.893 14.275 6.810 681 HG13 ILE 91 2HG1 ILE 91 -7.531 14.792 5.194 682 HG21 ILE 91 1HG2 ILE 91 -10.279 13.336 7.318 683 HG22 ILE 91 2HG2 ILE 91 -9.035 12.211 6.711 684 HG23 ILE 91 3HG2 ILE 91 -10.675 12.191 6.019 685 HD11 ILE 91 1HD1 ILE 91 -7.946 16.689 6.721 686 HD12 ILE 91 2HD1 ILE 91 -9.620 16.136 6.920 687 HD13 ILE 91 3HD1 ILE 91 -9.023 16.660 5.318 688 H TRP 92 H TRP 92 -10.693 13.524 2.052 689 HA TRP 92 HA TRP 92 -8.971 15.456 0.667 690 HB2 TRP 92 1HB TRP 92 -11.561 14.070 -0.060 691 HB3 TRP 92 2HB TRP 92 -10.706 15.211 -1.111 692 HD1 TRP 92 HD1 TRP 92 -10.559 11.641 0.113 693 HE1 TRP 92 HE1 TRP 92 -8.658 10.369 -0.991 694 HE3 TRP 92 HE3 TRP 92 -8.269 15.647 -2.086 695 HZ2 TRP 92 HZ2 TRP 92 -6.448 11.021 -2.645 696 HZ3 TRP 92 HZ3 TRP 92 -6.200 15.252 -3.425 697 HH2 TRP 92 HH2 TRP 92 -5.299 12.939 -3.710 698 H VAL 93 H VAL 93 -9.311 17.547 0.269 699 HA VAL 93 HA VAL 93 -11.905 18.756 1.071 700 HB VAL 93 HB VAL 93 -10.624 20.680 2.127 701 HG11 VAL 93 1HG1 VAL 93 -10.262 19.569 4.279 702 HG12 VAL 93 2HG1 VAL 93 -10.275 17.981 3.482 703 HG13 VAL 93 3HG1 VAL 93 -11.748 18.982 3.501 704 HG21 VAL 93 1HG2 VAL 93 -8.337 20.348 2.901 705 HG22 VAL 93 2HG2 VAL 93 -8.375 20.149 1.137 706 HG23 VAL 93 3HG2 VAL 93 -8.286 18.721 2.192 707 H ALA 94 H ALA 94 -12.394 20.687 -0.022 708 HA ALA 94 HA ALA 94 -10.526 21.869 -1.916 709 HB1 ALA 94 1HB ALA 94 -11.358 19.894 -3.273 710 HB2 ALA 94 2HB ALA 94 -11.935 21.436 -3.933 711 HB3 ALA 94 3HB ALA 94 -13.031 20.419 -2.968 712 H THR 95 H THR 95 -11.643 23.816 -2.820 713 HA THR 95 HA THR 95 -13.954 24.661 -1.123 714 HB THR 95 HB THR 95 -11.773 25.868 -0.584 715 HG1 THR 95 HG1 THR 95 -12.810 27.916 -0.687 716 HG21 THR 95 1HG2 THR 95 -10.910 27.501 -2.136 717 HG22 THR 95 2HG2 THR 95 -12.176 27.133 -3.324 718 HG23 THR 95 3HG2 THR 95 -10.919 25.930 -2.957 719 H GLU 96 H GLU 96 -15.113 26.572 -2.426 720 HA GLU 96 HA GLU 96 -16.005 25.331 -4.833 721 HB2 GLU 96 1HB GLU 96 -17.174 26.978 -3.169 722 HB3 GLU 96 2HB GLU 96 -16.439 28.245 -4.161 723 HG2 GLU 96 1HG GLU 96 -18.638 27.864 -4.974 724 HG3 GLU 96 2HG GLU 96 -17.507 27.170 -6.150 725 H GLY 97 H GLY 97 -15.367 25.564 -6.905 726 HA2 GLY 97 1HA GLY 97 -14.486 26.701 -8.761 727 HA3 GLY 97 2HA GLY 97 -13.787 27.922 -7.693 728 H ALA 98 H ALA 98 -12.901 25.089 -6.268 729 HA ALA 98 HA ALA 98 -10.209 25.269 -7.312 730 HB1 ALA 98 1HB ALA 98 -9.718 23.531 -5.742 731 HB2 ALA 98 2HB ALA 98 -11.447 23.128 -5.568 732 HB3 ALA 98 3HB ALA 98 -10.821 24.680 -4.960 733 H LEU 99 H LEU 99 -9.218 23.955 -8.855 734 HA LEU 99 HA LEU 99 -11.098 22.359 -10.477 735 HB2 LEU 99 1HB LEU 99 -8.269 23.332 -10.883 736 HB3 LEU 99 2HB LEU 99 -8.986 22.118 -11.936 737 HG LEU 99 HG LEU 99 -10.042 24.939 -11.557 738 HD11 LEU 99 1HD1 LEU 99 -9.197 25.253 -13.848 739 HD12 LEU 99 2HD1 LEU 99 -8.571 23.586 -13.851 740 HD13 LEU 99 3HD1 LEU 99 -7.886 24.800 -12.741 741 HD21 LEU 99 1HD2 LEU 99 -11.451 24.386 -13.555 742 HD22 LEU 99 2HD2 LEU 99 -11.898 23.464 -12.111 743 HD23 LEU 99 3HD2 LEU 99 -10.947 22.687 -13.405 744 H ASN 100 H ASN 100 -11.004 20.264 -10.909 745 HA ASN 100 HA ASN 100 -9.574 18.588 -8.966 746 HB2 ASN 100 1HB ASN 100 -11.969 18.195 -9.601 747 HB3 ASN 100 2HB ASN 100 -11.432 17.788 -11.238 748 HD21 ASN 100 1HD2 ASN 100 -11.441 14.473 -10.127 749 HD22 ASN 100 2HD2 ASN 100 -12.182 15.685 -11.142 750 H THR 101 H THR 101 -7.522 19.513 -10.009 751 HA THR 101 HA THR 101 -6.570 17.520 -12.012 752 HB THR 101 HB THR 101 -7.211 19.968 -12.929 753 HG1 THR 101 HG1 THR 101 -5.661 19.651 -14.523 754 HG21 THR 101 1HG2 THR 101 -5.327 21.486 -12.971 755 HG22 THR 101 2HG2 THR 101 -4.339 20.345 -12.017 756 HG23 THR 101 3HG2 THR 101 -5.764 21.143 -11.285 757 HA PRO 102 HA PRO 102 -3.365 17.253 -9.042 758 HB2 PRO 102 1HB PRO 102 -1.088 16.919 -10.553 759 HB3 PRO 102 2HB PRO 102 -2.312 15.625 -10.324 760 HG2 PRO 102 1HG PRO 102 -1.981 17.574 -12.591 761 HG3 PRO 102 2HG PRO 102 -2.210 15.796 -12.652 762 HD2 PRO 102 1HD PRO 102 -4.254 17.451 -13.032 763 HD3 PRO 102 2HD PRO 102 -4.463 15.949 -12.074 764 H LYS 103 H LYS 103 -1.776 18.297 -7.962 765 HA LYS 103 HA LYS 103 -0.890 20.956 -9.009 766 HB2 LYS 103 1HB LYS 103 -1.574 20.154 -6.177 767 HB3 LYS 103 2HB LYS 103 -1.116 21.759 -6.720 768 HG2 LYS 103 1HG LYS 103 -3.639 20.267 -7.436 769 HG3 LYS 103 2HG LYS 103 -3.534 21.613 -6.309 770 HD2 LYS 103 1HD LYS 103 -2.904 23.122 -8.101 771 HD3 LYS 103 2HD LYS 103 -2.845 21.807 -9.272 772 HE2 LYS 103 1HE LYS 103 -5.242 21.419 -9.034 773 HE3 LYS 103 2HE LYS 103 -5.331 22.677 -7.790 774 HZ1 LYS 103 1HZ LYS 103 -5.973 23.683 -9.818 775 HZ2 LYS 103 2HZ LYS 103 -4.687 23.073 -10.648 776 HZ3 LYS 103 3HZ LYS 103 -4.455 24.247 -9.514 777 H ASP 104 H ASP 104 0.450 18.604 -9.440 778 HA ASP 104 HA ASP 104 2.388 17.742 -7.628 779 HB2 ASP 104 1HB ASP 104 3.639 17.072 -9.633 780 HB3 ASP 104 2HB ASP 104 1.910 16.770 -9.873 781 H HIS 105 H HIS 105 2.443 20.485 -9.834 782 HA HIS 105 HA HIS 105 5.116 21.347 -9.372 783 HB2 HIS 105 1HB HIS 105 4.326 23.419 -10.502 784 HB3 HIS 105 2HB HIS 105 3.884 21.941 -11.366 785 HD1 HIS 105 HD1 HIS 105 1.295 21.185 -11.296 786 HD2 HIS 105 HD2 HIS 105 2.157 24.996 -9.710 787 HE1 HIS 105 HE1 HIS 105 -0.932 22.426 -11.017 788 H ILE 106 H ILE 106 2.428 21.571 -7.269 789 HA ILE 106 HA ILE 106 3.478 24.036 -5.990 790 HB ILE 106 HB ILE 106 0.943 22.409 -5.361 791 HG12 ILE 106 1HG1 ILE 106 1.406 24.973 -6.937 792 HG13 ILE 106 2HG1 ILE 106 0.927 23.407 -7.592 793 HG21 ILE 106 1HG2 ILE 106 0.308 24.410 -4.017 794 HG22 ILE 106 2HG2 ILE 106 1.848 25.204 -4.416 795 HG23 ILE 106 3HG2 ILE 106 1.823 23.739 -3.408 796 HD11 ILE 106 1HD1 ILE 106 -1.059 24.423 -7.557 797 HD12 ILE 106 2HD1 ILE 106 -0.672 25.409 -6.123 798 HD13 ILE 106 3HD1 ILE 106 -1.095 23.689 -5.938 799 H GLY 107 H GLY 107 3.053 20.538 -5.434 800 HA2 GLY 107 1HA GLY 107 3.906 20.693 -2.674 801 HA3 GLY 107 2HA GLY 107 3.717 19.231 -3.641 802 H THR 108 H THR 108 5.808 21.248 -5.319 803 HA THR 108 HA THR 108 8.054 19.525 -4.581 804 HB THR 108 HB THR 108 7.504 20.111 -6.960 805 HG1 THR 108 HG1 THR 108 10.042 20.945 -5.972 806 HG21 THR 108 1HG2 THR 108 6.903 22.530 -6.539 807 HG22 THR 108 2HG2 THR 108 8.046 22.280 -7.871 808 HG23 THR 108 3HG2 THR 108 8.634 22.863 -6.302 809 H ARG 109 H ARG 109 6.988 21.769 -2.740 810 HA ARG 109 HA ARG 109 8.916 23.828 -2.487 811 HB2 ARG 109 1HB ARG 109 6.704 23.590 -1.263 812 HB3 ARG 109 2HB ARG 109 7.472 22.373 -0.241 813 HG2 ARG 109 1HG ARG 109 9.161 24.175 0.446 814 HG3 ARG 109 2HG ARG 109 8.138 25.326 -0.431 815 HD2 ARG 109 1HD ARG 109 7.454 25.406 1.827 816 HD3 ARG 109 2HD ARG 109 6.225 24.533 0.947 817 HE ARG 109 HE ARG 109 6.635 22.634 2.168 818 HH11 ARG 109 1HH1 ARG 109 9.300 24.858 2.815 819 HH12 ARG 109 2HH1 ARG 109 9.944 23.851 4.083 820 HH21 ARG 109 1HH2 ARG 109 7.437 21.491 3.843 821 HH22 ARG 109 2HH2 ARG 109 8.903 21.985 4.661 822 H ASN 110 H ASN 110 11.003 23.879 -1.771 823 HA ASN 110 HA ASN 110 12.209 21.305 -0.979 824 HB2 ASN 110 1HB ASN 110 13.391 24.072 -1.394 825 HB3 ASN 110 2HB ASN 110 14.333 22.611 -1.080 826 HD21 ASN 110 1HD2 ASN 110 13.590 21.266 -4.363 827 HD22 ASN 110 2HD2 ASN 110 13.645 20.750 -2.695 828 HA PRO 111 HA PRO 111 11.539 22.830 3.175 829 HB2 PRO 111 1HB PRO 111 12.432 20.712 4.618 830 HB3 PRO 111 2HB PRO 111 10.872 20.664 3.736 831 HG2 PRO 111 1HG PRO 111 13.559 19.607 2.876 832 HG3 PRO 111 2HG PRO 111 11.969 18.779 2.873 833 HD2 PRO 111 1HD PRO 111 12.987 19.930 0.649 834 HD3 PRO 111 2HD PRO 111 11.227 19.948 0.999 835 H ALA 112 H ALA 112 14.505 21.909 1.692 836 HA ALA 112 HA ALA 112 16.251 22.732 3.866 837 HB1 ALA 112 1HB ALA 112 16.972 21.060 2.192 838 HB2 ALA 112 2HB ALA 112 18.018 22.499 2.128 839 HB3 ALA 112 3HB ALA 112 16.766 22.257 0.885 840 H ASN 113 H ASN 113 14.575 24.258 1.197 841 HA ASN 113 HA ASN 113 16.303 26.669 1.389 842 HB2 ASN 113 1HB ASN 113 14.212 25.851 -0.658 843 HB3 ASN 113 2HB ASN 113 15.154 27.333 -0.717 844 HD21 ASN 113 1HD2 ASN 113 16.691 24.577 -2.800 845 HD22 ASN 113 2HD2 ASN 113 15.044 25.139 -2.654 846 H ASN 114 H ASN 114 13.019 25.564 2.092 847 HA ASN 114 HA ASN 114 12.335 28.342 2.869 848 HB2 ASN 114 1HB ASN 114 11.040 27.920 0.940 849 HB3 ASN 114 2HB ASN 114 10.818 26.224 1.378 850 HD21 ASN 114 1HD2 ASN 114 8.469 28.968 3.063 851 HD22 ASN 114 2HD2 ASN 114 9.935 29.412 2.188 852 H ALA 115 H ALA 115 11.152 28.631 4.652 853 HA ALA 115 HA ALA 115 10.841 26.343 6.512 854 HB1 ALA 115 1HB ALA 115 10.382 28.089 8.197 855 HB2 ALA 115 2HB ALA 115 10.506 29.346 6.945 856 HB3 ALA 115 3HB ALA 115 11.941 28.386 7.390 857 H ALA 116 H ALA 116 8.906 25.501 6.843 858 HA ALA 116 HA ALA 116 6.695 26.039 5.172 859 HB1 ALA 116 1HB ALA 116 7.156 23.822 6.190 860 HB2 ALA 116 2HB ALA 116 5.509 24.377 6.550 861 HB3 ALA 116 3HB ALA 116 6.771 24.484 7.799 862 H ILE 117 H ILE 117 4.671 26.824 5.546 863 HA ILE 117 HA ILE 117 4.558 29.187 7.252 864 HB ILE 117 HB ILE 117 2.482 27.876 5.464 865 HG12 ILE 117 1HG1 ILE 117 3.889 30.374 4.642 866 HG13 ILE 117 2HG1 ILE 117 4.814 28.880 4.551 867 HG21 ILE 117 1HG2 ILE 117 1.431 30.160 5.403 868 HG22 ILE 117 2HG2 ILE 117 2.594 30.696 6.636 869 HG23 ILE 117 3HG2 ILE 117 1.395 29.438 7.015 870 HD11 ILE 117 1HD1 ILE 117 3.739 29.312 2.432 871 HD12 ILE 117 2HD1 ILE 117 2.149 29.384 3.226 872 HD13 ILE 117 3HD1 ILE 117 3.051 27.845 3.180 873 H VAL 118 H VAL 118 3.353 29.378 9.215 874 HA VAL 118 HA VAL 118 2.424 27.008 10.589 875 HB VAL 118 HB VAL 118 1.753 29.975 10.999 876 HG11 VAL 118 1HG1 VAL 118 0.997 29.279 13.266 877 HG12 VAL 118 2HG1 VAL 118 1.173 27.578 12.782 878 HG13 VAL 118 3HG1 VAL 118 -0.023 28.620 11.976 879 HG21 VAL 118 1HG2 VAL 118 3.348 29.793 12.908 880 HG22 VAL 118 2HG2 VAL 118 4.137 29.467 11.352 881 HG23 VAL 118 3HG2 VAL 118 3.710 28.118 12.428 882 H LEU 119 H LEU 119 0.614 25.878 10.187 883 HA LEU 119 HA LEU 119 -1.104 26.603 8.026 884 HB2 LEU 119 1HB LEU 119 -0.501 24.311 8.915 885 HB3 LEU 119 2HB LEU 119 -1.671 24.564 10.198 886 HG LEU 119 HG LEU 119 -2.523 24.818 7.307 887 HD11 LEU 119 1HD1 LEU 119 -2.966 22.417 7.229 888 HD12 LEU 119 2HD1 LEU 119 -2.226 22.209 8.836 889 HD13 LEU 119 3HD1 LEU 119 -1.237 22.726 7.460 890 HD21 LEU 119 1HD2 LEU 119 -4.259 25.393 8.848 891 HD22 LEU 119 2HD2 LEU 119 -3.873 24.034 9.914 892 HD23 LEU 119 3HD2 LEU 119 -4.625 23.740 8.334 893 H GLN 120 H GLN 120 -2.938 27.706 7.913 894 HA GLN 120 HA GLN 120 -4.416 28.438 10.409 895 HB2 GLN 120 1HB GLN 120 -3.603 30.231 8.107 896 HB3 GLN 120 2HB GLN 120 -4.774 30.680 9.353 897 HG2 GLN 120 1HG GLN 120 -3.157 30.899 10.990 898 HG3 GLN 120 2HG GLN 120 -2.032 29.824 10.162 899 HE21 GLN 120 1HE2 GLN 120 -0.505 32.315 8.261 900 HE22 GLN 120 2HE2 GLN 120 -0.658 30.602 8.602 901 H LEU 121 H LEU 121 -6.677 28.953 9.911 902 HA LEU 121 HA LEU 121 -7.574 27.682 7.354 903 HB2 LEU 121 1HB LEU 121 -8.730 27.768 10.136 904 HB3 LEU 121 2HB LEU 121 -9.816 27.680 8.762 905 HG LEU 121 HG LEU 121 -7.704 25.617 9.442 906 HD11 LEU 121 1HD1 LEU 121 -10.729 25.723 9.756 907 HD12 LEU 121 2HD1 LEU 121 -9.520 25.650 11.048 908 HD13 LEU 121 3HD1 LEU 121 -9.757 24.255 9.974 909 HD21 LEU 121 1HD2 LEU 121 -8.068 25.554 7.049 910 HD22 LEU 121 2HD2 LEU 121 -9.820 25.728 7.245 911 HD23 LEU 121 3HD2 LEU 121 -9.010 24.228 7.746 912 HA PRO 122 HA PRO 122 -9.093 31.661 6.357 913 HB2 PRO 122 1HB PRO 122 -11.026 31.113 4.523 914 HB3 PRO 122 2HB PRO 122 -9.280 30.813 4.188 915 HG2 PRO 122 1HG PRO 122 -11.386 28.893 5.151 916 HG3 PRO 122 2HG PRO 122 -10.261 28.723 3.766 917 HD2 PRO 122 1HD PRO 122 -9.732 27.614 6.150 918 HD3 PRO 122 2HD PRO 122 -8.427 28.336 5.148 919 H GLN 123 H GLN 123 -11.046 33.032 6.335 920 HA GLN 123 HA GLN 123 -12.517 32.837 8.719 921 HB2 GLN 123 1HB GLN 123 -12.156 34.899 7.348 922 HB3 GLN 123 2HB GLN 123 -13.280 34.268 6.140 923 HG2 GLN 123 1HG GLN 123 -15.101 34.314 7.803 924 HG3 GLN 123 2HG GLN 123 -13.976 34.945 9.017 925 HE21 GLN 123 1HE2 GLN 123 -15.882 37.470 6.616 926 HE22 GLN 123 2HE2 GLN 123 -16.333 35.803 6.877 927 H GLY 124 H GLY 124 -14.316 31.796 9.320 928 HA2 GLY 124 1HA GLY 124 -16.475 30.892 8.980 929 HA3 GLY 124 2HA GLY 124 -16.149 30.742 7.250 930 H THR 125 H THR 125 -13.369 29.495 8.188 931 HA THR 125 HA THR 125 -14.578 26.788 8.517 932 HB THR 125 HB THR 125 -11.737 27.426 7.665 933 HG1 THR 125 HG1 THR 125 -13.330 28.261 6.199 934 HG21 THR 125 1HG2 THR 125 -11.780 25.155 6.801 935 HG22 THR 125 2HG2 THR 125 -13.476 24.963 7.245 936 HG23 THR 125 3HG2 THR 125 -12.249 25.091 8.505 937 H THR 126 H THR 126 -14.330 25.657 10.302 938 HA THR 126 HA THR 126 -12.380 26.623 12.339 939 HB THR 126 HB THR 126 -14.041 25.441 13.936 940 HG1 THR 126 HG1 THR 126 -16.152 25.316 13.096 941 HG21 THR 126 1HG2 THR 126 -15.444 27.431 14.095 942 HG22 THR 126 2HG2 THR 126 -14.964 27.932 12.458 943 HG23 THR 126 3HG2 THR 126 -13.760 27.897 13.771 944 H LEU 127 H LEU 127 -11.261 25.116 13.523 945 HA LEU 127 HA LEU 127 -10.680 22.598 12.203 946 HB2 LEU 127 1HB LEU 127 -9.992 23.590 14.972 947 HB3 LEU 127 2HB LEU 127 -9.321 22.158 14.250 948 HG LEU 127 HG LEU 127 -8.877 24.936 13.131 949 HD11 LEU 127 1HD1 LEU 127 -6.655 24.816 14.156 950 HD12 LEU 127 2HD1 LEU 127 -7.070 23.256 14.904 951 HD13 LEU 127 3HD1 LEU 127 -7.924 24.734 15.398 952 HD21 LEU 127 1HD2 LEU 127 -8.600 23.054 11.528 953 HD22 LEU 127 2HD2 LEU 127 -7.453 22.285 12.644 954 HD23 LEU 127 3HD2 LEU 127 -7.061 23.850 11.889 955 HA PRO 128 HA PRO 128 -13.788 20.321 14.320 956 HB2 PRO 128 1HB PRO 128 -12.788 17.804 14.542 957 HB3 PRO 128 2HB PRO 128 -13.188 18.518 12.947 958 HG2 PRO 128 1HG PRO 128 -10.560 18.291 14.322 959 HG3 PRO 128 2HG PRO 128 -11.006 17.901 12.638 960 HD2 PRO 128 1HD PRO 128 -9.802 20.256 13.390 961 HD3 PRO 128 2HD PRO 128 -10.906 20.158 11.991 962 H LYS 129 H LYS 129 -14.091 18.859 16.368 963 HA LYS 129 HA LYS 129 -13.070 20.368 18.555 964 HB2 LYS 129 1HB LYS 129 -15.210 19.084 18.510 965 HB3 LYS 129 2HB LYS 129 -14.274 17.588 18.563 966 HG2 LYS 129 1HG LYS 129 -13.338 18.247 20.741 967 HG3 LYS 129 2HG LYS 129 -14.308 19.738 20.695 968 HD2 LYS 129 1HD LYS 129 -16.354 18.374 20.518 969 HD3 LYS 129 2HD LYS 129 -15.372 16.901 20.619 970 HE2 LYS 129 1HE LYS 129 -15.546 19.064 22.759 971 HE3 LYS 129 2HE LYS 129 -16.400 17.506 22.800 972 HZ1 LYS 129 1HZ LYS 129 -14.360 17.419 24.084 973 HZ2 LYS 129 2HZ LYS 129 -13.455 17.842 22.769 974 HZ3 LYS 129 3HZ LYS 129 -14.247 16.396 22.792 975 H GLY 130 H GLY 130 -11.225 20.281 19.608 976 HA2 GLY 130 1HA GLY 130 -9.400 19.297 20.678 977 HA3 GLY 130 2HA GLY 130 -9.878 17.735 20.016 978 H PHE 131 H PHE 131 -9.001 20.801 18.301 979 HA PHE 131 HA PHE 131 -6.523 19.453 17.392 980 HB2 PHE 131 1HB PHE 131 -8.891 19.968 15.771 981 HB3 PHE 131 2HB PHE 131 -7.479 20.827 15.151 982 HD1 PHE 131 HD1 PHE 131 -8.988 17.538 15.770 983 HD2 PHE 131 HD2 PHE 131 -5.496 19.622 14.384 984 HE1 PHE 131 HE1 PHE 131 -8.148 15.445 14.751 985 HE2 PHE 131 HE2 PHE 131 -4.641 17.516 13.356 986 HZ PHE 131 HZ PHE 131 -5.965 15.433 13.537 987 H TYR 132 H TYR 132 -4.892 20.825 16.724 988 HA TYR 132 HA TYR 132 -5.374 23.728 16.680 989 HB2 TYR 132 1HB TYR 132 -3.657 24.254 18.311 990 HB3 TYR 132 2HB TYR 132 -4.929 23.295 19.063 991 HD1 TYR 132 HD1 TYR 132 -4.483 20.818 19.577 992 HD2 TYR 132 HD2 TYR 132 -1.369 23.498 18.275 993 HE1 TYR 132 HE1 TYR 132 -2.760 19.268 20.485 994 HE2 TYR 132 HE2 TYR 132 0.343 21.933 19.192 995 HH TYR 132 HH TYR 132 -0.548 18.896 20.844 996 H ALA 133 H ALA 133 -3.281 24.850 15.970 997 HA ALA 133 HA ALA 133 -2.001 23.093 13.942 998 HB1 ALA 133 1HB ALA 133 -2.215 26.125 14.093 999 HB2 ALA 133 2HB ALA 133 -3.213 25.059 13.083 1000 HB3 ALA 133 3HB ALA 133 -1.470 25.201 12.771 1001 H GLU 134 H GLU 134 0.200 23.000 13.637 1002 HA GLU 134 HA GLU 134 1.786 23.392 16.045 1003 HB2 GLU 134 1HB GLU 134 2.230 21.519 14.600 1004 HB3 GLU 134 2HB GLU 134 2.429 22.569 13.206 1005 HG2 GLU 134 1HG GLU 134 4.507 23.442 14.055 1006 HG3 GLU 134 2HG GLU 134 4.286 22.574 15.592 1007 H GLY 135 H GLY 135 2.911 25.122 16.643 1008 HA2 GLY 135 1HA GLY 135 4.339 26.961 16.314 1009 HA3 GLY 135 2HA GLY 135 3.881 27.025 14.610 1010 H SER 136 H SER 136 0.930 26.795 15.797 1011 HA SER 136 HA SER 136 0.520 29.673 15.744 1012 HB2 SER 136 1HB SER 136 -1.079 28.080 14.697 1013 HB3 SER 136 2HB SER 136 -1.437 27.407 16.303 1014 HG SER 136 HG SER 136 -2.904 29.088 15.522 1015 H ARG 137 H ARG 137 0.452 30.967 17.430 1016 HA ARG 137 HA ARG 137 -0.207 29.963 20.135 1017 HB2 ARG 137 1HB ARG 137 2.266 31.567 19.390 1018 HB3 ARG 137 2HB ARG 137 1.663 31.303 21.021 1019 HG2 ARG 137 1HG ARG 137 1.875 28.755 20.353 1020 HG3 ARG 137 2HG ARG 137 3.051 29.408 19.189 1021 HD2 ARG 137 1HD ARG 137 3.002 29.736 22.194 1022 HD3 ARG 137 2HD ARG 137 4.203 28.838 21.247 1023 HE ARG 137 HE ARG 137 4.051 31.732 21.694 1024 HH11 ARG 137 1HH1 ARG 137 5.449 29.250 19.602 1025 HH12 ARG 137 2HH1 ARG 137 6.722 30.305 19.054 1026 HH21 ARG 137 1HH2 ARG 137 5.693 33.009 20.946 1027 HH22 ARG 137 2HH2 ARG 137 6.854 32.396 19.802 1028 H GLY 138 H GLY 138 -0.847 31.731 21.493 1029 HA2 GLY 138 1HA GLY 138 -1.756 34.139 20.020 1030 HA3 GLY 138 2HA GLY 138 -2.243 33.648 21.663 1031 H GLY 139 H GLY 139 -1.558 36.168 21.742 1032 HA2 GLY 139 1HA GLY 139 0.787 36.240 23.365 1033 HA3 GLY 139 2HA GLY 139 1.140 36.933 21.757 1034 H SER 140 H SER 140 1.236 38.637 23.874 1035 HA SER 140 HA SER 140 0.412 40.545 24.811 1036 HB2 SER 140 1HB SER 140 -1.448 40.675 22.418 1037 HB3 SER 140 2HB SER 140 -0.903 42.024 23.439 1038 HG SER 140 HG SER 140 0.680 40.390 21.734 Start of MODEL 23 1 H1 GLY 1 1H GLY 1 3.548 0.327 9.858 2 H2 GLY 1 2H GLY 1 4.095 -0.588 8.598 3 H3 GLY 1 3H GLY 1 2.487 -0.252 8.735 4 HA2 GLY 1 1HA GLY 1 2.867 2.081 8.360 5 HA3 GLY 1 2HA GLY 1 4.606 1.741 8.245 6 H ALA 2 H ALA 2 3.110 2.996 6.120 7 HA ALA 2 HA ALA 2 2.706 0.772 4.191 8 HB1 ALA 2 1HB ALA 2 0.829 2.341 4.582 9 HB2 ALA 2 2HB ALA 2 1.402 2.379 2.901 10 HB3 ALA 2 3HB ALA 2 1.849 3.690 4.017 11 H MET 3 H MET 3 5.356 2.269 4.963 12 HA MET 3 HA MET 3 7.283 2.800 3.985 13 HB2 MET 3 1HB MET 3 6.293 1.560 1.437 14 HB3 MET 3 2HB MET 3 7.968 1.708 1.965 15 HG2 MET 3 1HG MET 3 7.525 0.127 3.815 16 HG3 MET 3 2HG MET 3 5.845 -0.035 3.271 17 HE1 MET 3 1HE MET 3 6.115 -1.967 -0.115 18 HE2 MET 3 2HE MET 3 5.932 -0.209 0.073 19 HE3 MET 3 3HE MET 3 5.031 -1.318 1.136 20 H GLY 4 H GLY 4 4.707 4.246 2.767 21 HA2 GLY 4 1HA GLY 4 5.908 5.766 0.616 22 HA3 GLY 4 2HA GLY 4 4.295 6.004 1.294 23 H LEU 5 H LEU 5 7.721 6.397 2.214 24 HA LEU 5 HA LEU 5 7.051 8.702 3.913 25 HB2 LEU 5 1HB LEU 5 9.723 7.553 3.074 26 HB3 LEU 5 2HB LEU 5 9.506 8.828 4.260 27 HG LEU 5 HG LEU 5 8.448 5.994 4.577 28 HD11 LEU 5 1HD1 LEU 5 10.310 5.706 6.170 29 HD12 LEU 5 2HD1 LEU 5 10.913 7.333 5.762 30 HD13 LEU 5 3HD1 LEU 5 10.903 6.047 4.533 31 HD21 LEU 5 1HD2 LEU 5 8.195 6.663 6.970 32 HD22 LEU 5 2HD2 LEU 5 7.153 7.606 5.891 33 HD23 LEU 5 3HD2 LEU 5 8.647 8.328 6.534 34 HA PRO 6 HA PRO 6 7.702 11.465 0.474 35 HB2 PRO 6 1HB PRO 6 7.568 13.867 1.741 36 HB3 PRO 6 2HB PRO 6 6.124 12.835 1.511 37 HG2 PRO 6 1HG PRO 6 7.863 13.161 3.937 38 HG3 PRO 6 2HG PRO 6 6.079 13.137 3.816 39 HD2 PRO 6 1HD PRO 6 7.600 10.953 4.538 40 HD3 PRO 6 2HD PRO 6 6.005 10.825 3.720 41 H ASN 7 H ASN 7 9.763 11.348 -0.340 42 HA ASN 7 HA ASN 7 12.032 11.974 1.418 43 HB2 ASN 7 1HB ASN 7 11.900 11.007 -1.456 44 HB3 ASN 7 2HB ASN 7 13.394 11.253 -0.543 45 HD21 ASN 7 1HD2 ASN 7 11.926 7.701 -0.366 46 HD22 ASN 7 2HD2 ASN 7 11.969 8.822 -1.702 47 H ASN 8 H ASN 8 10.440 13.521 -1.381 48 HA ASN 8 HA ASN 8 12.104 15.896 -0.824 49 HB2 ASN 8 1HB ASN 8 13.190 14.446 -2.659 50 HB3 ASN 8 2HB ASN 8 11.822 14.912 -3.681 51 HD21 ASN 8 1HD2 ASN 8 14.227 17.997 -2.389 52 HD22 ASN 8 2HD2 ASN 8 13.731 16.752 -1.273 53 H THR 9 H THR 9 9.395 15.427 -0.228 54 HA THR 9 HA THR 9 8.122 17.552 -1.827 55 HB THR 9 HB THR 9 5.938 16.272 -1.596 56 HG1 THR 9 HG1 THR 9 6.806 14.837 0.050 57 HG21 THR 9 1HG2 THR 9 8.021 14.748 -3.209 58 HG22 THR 9 2HG2 THR 9 7.180 16.217 -3.756 59 HG23 THR 9 3HG2 THR 9 6.262 14.725 -3.454 60 H ALA 10 H ALA 10 7.130 18.891 -0.364 61 HA ALA 10 HA ALA 10 6.884 17.945 2.438 62 HB1 ALA 10 1HB ALA 10 9.159 19.087 2.061 63 HB2 ALA 10 2HB ALA 10 8.141 19.770 3.350 64 HB3 ALA 10 3HB ALA 10 8.243 20.584 1.774 65 H SER 11 H SER 11 5.335 18.941 3.651 66 HA SER 11 HA SER 11 3.134 20.197 2.288 67 HB2 SER 11 1HB SER 11 2.745 18.968 4.355 68 HB3 SER 11 2HB SER 11 3.919 19.973 5.225 69 HG SER 11 HG SER 11 2.373 21.292 5.645 70 H TRP 12 H TRP 12 2.660 22.367 2.074 71 HA TRP 12 HA TRP 12 4.813 24.266 2.320 72 HB2 TRP 12 1HB TRP 12 2.032 24.248 1.348 73 HB3 TRP 12 2HB TRP 12 2.536 25.777 2.085 74 HD1 TRP 12 HD1 TRP 12 2.931 23.771 -1.042 75 HE1 TRP 12 HE1 TRP 12 4.481 24.892 -2.692 76 HE3 TRP 12 HE3 TRP 12 4.779 27.348 2.098 77 HZ2 TRP 12 HZ2 TRP 12 6.302 27.087 -2.677 78 HZ3 TRP 12 HZ3 TRP 12 6.461 28.975 1.201 79 HH2 TRP 12 HH2 TRP 12 7.227 28.818 -1.167 80 H PHE 13 H PHE 13 2.410 23.057 4.437 81 HA PHE 13 HA PHE 13 2.747 25.395 6.240 82 HB2 PHE 13 1HB PHE 13 0.359 23.556 6.069 83 HB3 PHE 13 2HB PHE 13 0.466 25.124 6.883 84 HD1 PHE 13 HD1 PHE 13 -0.145 23.361 3.759 85 HD2 PHE 13 HD2 PHE 13 0.594 27.213 5.509 86 HE1 PHE 13 HE1 PHE 13 -0.881 24.451 1.659 87 HE2 PHE 13 HE2 PHE 13 -0.110 28.310 3.397 88 HZ PHE 13 HZ PHE 13 -0.812 26.915 1.457 89 H THR 14 H THR 14 2.402 24.975 8.513 90 HA THR 14 HA THR 14 3.947 22.711 9.415 91 HB THR 14 HB THR 14 3.313 23.490 11.674 92 HG1 THR 14 HG1 THR 14 1.898 25.179 11.925 93 HG21 THR 14 1HG2 THR 14 4.303 25.729 11.591 94 HG22 THR 14 2HG2 THR 14 4.089 25.772 9.829 95 HG23 THR 14 3HG2 THR 14 5.202 24.593 10.560 96 H ALA 15 H ALA 15 3.079 21.197 11.120 97 HA ALA 15 HA ALA 15 0.788 19.870 9.932 98 HB1 ALA 15 1HB ALA 15 2.919 18.790 10.799 99 HB2 ALA 15 2HB ALA 15 1.392 18.038 11.291 100 HB3 ALA 15 3HB ALA 15 2.287 19.071 12.434 101 H LEU 16 H LEU 16 -1.225 19.592 10.716 102 HA LEU 16 HA LEU 16 -2.087 21.112 13.101 103 HB2 LEU 16 1HB LEU 16 -3.411 19.138 11.201 104 HB3 LEU 16 2HB LEU 16 -4.188 19.685 12.669 105 HG LEU 16 HG LEU 16 -3.432 21.437 10.350 106 HD11 LEU 16 1HD1 LEU 16 -5.861 21.602 10.032 107 HD12 LEU 16 2HD1 LEU 16 -6.131 20.522 11.422 108 HD13 LEU 16 3HD1 LEU 16 -5.342 19.907 9.952 109 HD21 LEU 16 1HD2 LEU 16 -4.817 23.138 11.628 110 HD22 LEU 16 2HD2 LEU 16 -3.236 22.763 12.327 111 HD23 LEU 16 3HD2 LEU 16 -4.710 22.056 13.034 112 H THR 17 H THR 17 -2.665 20.035 15.093 113 HA THR 17 HA THR 17 -1.634 17.227 15.275 114 HB THR 17 HB THR 17 -1.248 19.401 17.347 115 HG1 THR 17 HG1 THR 17 -0.130 19.760 15.324 116 HG21 THR 17 1HG2 THR 17 0.535 17.799 18.113 117 HG22 THR 17 2HG2 THR 17 -0.112 16.612 16.958 118 HG23 THR 17 3HG2 THR 17 -1.125 17.196 18.301 119 H GLN 18 H GLN 18 -2.872 15.842 16.394 120 HA GLN 18 HA GLN 18 -5.436 16.909 17.463 121 HB2 GLN 18 1HB GLN 18 -5.538 15.197 15.721 122 HB3 GLN 18 2HB GLN 18 -4.476 14.157 16.632 123 HG2 GLN 18 1HG GLN 18 -6.728 13.314 16.764 124 HG3 GLN 18 2HG GLN 18 -6.217 13.844 18.360 125 HE21 GLN 18 1HE2 GLN 18 -9.659 15.140 16.962 126 HE22 GLN 18 2HE2 GLN 18 -8.789 13.702 16.436 127 H HIS 19 H HIS 19 -6.119 16.639 19.492 128 HA HIS 19 HA HIS 19 -4.651 14.713 21.256 129 HB2 HIS 19 1HB HIS 19 -4.087 17.061 21.905 130 HB3 HIS 19 2HB HIS 19 -5.812 17.416 22.056 131 HD1 HIS 19 HD1 HIS 19 -2.974 15.681 23.830 132 HD2 HIS 19 HD2 HIS 19 -7.066 16.297 24.306 133 HE1 HIS 19 HE1 HIS 19 -3.549 14.997 26.196 134 H GLY 20 H GLY 20 -6.137 13.074 21.034 135 HA2 GLY 20 1HA GLY 20 -8.586 13.007 22.315 136 HA3 GLY 20 2HA GLY 20 -8.955 13.613 20.679 137 H LYS 21 H LYS 21 -10.130 11.549 20.357 138 HA LYS 21 HA LYS 21 -8.231 9.278 19.787 139 HB2 LYS 21 1HB LYS 21 -11.163 9.290 20.581 140 HB3 LYS 21 2HB LYS 21 -10.325 7.880 19.931 141 HG2 LYS 21 1HG LYS 21 -8.695 8.012 21.814 142 HG3 LYS 21 2HG LYS 21 -9.653 9.336 22.509 143 HD2 LYS 21 1HD LYS 21 -11.621 7.825 22.624 144 HD3 LYS 21 2HD LYS 21 -10.633 6.507 21.954 145 HE2 LYS 21 1HE LYS 21 -9.085 6.706 23.895 146 HE3 LYS 21 2HE LYS 21 -10.122 7.978 24.575 147 HZ1 LYS 21 1HZ LYS 21 -10.614 5.819 25.543 148 HZ2 LYS 21 2HZ LYS 21 -10.953 5.175 24.064 149 HZ3 LYS 21 3HZ LYS 21 -11.921 6.353 24.692 150 H GLU 22 H GLU 22 -10.557 11.488 18.573 151 HA GLU 22 HA GLU 22 -11.269 10.073 16.161 152 HB2 GLU 22 1HB GLU 22 -11.271 13.058 16.750 153 HB3 GLU 22 2HB GLU 22 -12.166 12.237 15.468 154 HG2 GLU 22 1HG GLU 22 -13.861 12.299 16.930 155 HG3 GLU 22 2HG GLU 22 -13.075 10.878 17.627 156 H ASP 23 H ASP 23 -10.533 10.613 13.998 157 HA ASP 23 HA ASP 23 -7.629 10.998 14.006 158 HB2 ASP 23 1HB ASP 23 -9.694 9.960 12.193 159 HB3 ASP 23 2HB ASP 23 -8.445 10.889 11.353 160 H LEU 24 H LEU 24 -10.185 12.498 12.017 161 HA LEU 24 HA LEU 24 -9.839 15.209 12.427 162 HB2 LEU 24 1HB LEU 24 -7.477 15.047 11.640 163 HB3 LEU 24 2HB LEU 24 -8.006 14.227 10.187 164 HG LEU 24 HG LEU 24 -9.091 16.273 9.395 165 HD11 LEU 24 1HD1 LEU 24 -7.988 17.648 11.875 166 HD12 LEU 24 2HD1 LEU 24 -9.701 17.315 11.569 167 HD13 LEU 24 3HD1 LEU 24 -8.821 18.425 10.514 168 HD21 LEU 24 1HD2 LEU 24 -7.070 17.602 9.010 169 HD22 LEU 24 2HD2 LEU 24 -6.737 15.865 8.866 170 HD23 LEU 24 3HD2 LEU 24 -6.247 16.743 10.333 171 H LYS 25 H LYS 25 -11.426 16.221 11.120 172 HA LYS 25 HA LYS 25 -12.038 15.099 8.507 173 HB2 LYS 25 1HB LYS 25 -13.418 13.706 10.148 174 HB3 LYS 25 2HB LYS 25 -14.251 15.196 10.599 175 HG2 LYS 25 1HG LYS 25 -15.625 14.005 9.019 176 HG3 LYS 25 2HG LYS 25 -14.988 15.442 8.202 177 HD2 LYS 25 1HD LYS 25 -13.211 14.022 7.155 178 HD3 LYS 25 2HD LYS 25 -13.912 12.599 7.949 179 HE2 LYS 25 1HE LYS 25 -16.043 12.999 6.746 180 HE3 LYS 25 2HE LYS 25 -15.315 14.410 5.943 181 HZ1 LYS 25 1HZ LYS 25 -13.682 12.930 4.948 182 HZ2 LYS 25 2HZ LYS 25 -15.202 12.420 4.558 183 HZ3 LYS 25 3HZ LYS 25 -14.332 11.618 5.707 184 H PHE 26 H PHE 26 -12.837 16.699 7.188 185 HA PHE 26 HA PHE 26 -13.677 19.242 8.512 186 HB2 PHE 26 1HB PHE 26 -11.958 18.777 6.053 187 HB3 PHE 26 2HB PHE 26 -12.819 20.292 6.322 188 HD1 PHE 26 HD1 PHE 26 -12.529 20.909 9.121 189 HD2 PHE 26 HD2 PHE 26 -9.630 19.156 6.435 190 HE1 PHE 26 HE1 PHE 26 -10.694 21.771 10.542 191 HE2 PHE 26 HE2 PHE 26 -7.802 19.997 7.892 192 HZ PHE 26 HZ PHE 26 -8.324 21.313 9.935 193 HA PRO 27 HA PRO 27 -17.361 18.607 6.168 194 HB2 PRO 27 1HB PRO 27 -18.263 21.176 5.778 195 HB3 PRO 27 2HB PRO 27 -18.299 20.366 7.373 196 HG2 PRO 27 1HG PRO 27 -16.345 22.295 6.300 197 HG3 PRO 27 2HG PRO 27 -17.127 22.244 7.890 198 HD2 PRO 27 1HD PRO 27 -14.599 21.356 7.442 199 HD3 PRO 27 2HD PRO 27 -15.685 20.613 8.668 200 H ARG 28 H ARG 28 -18.373 18.953 4.041 201 HA ARG 28 HA ARG 28 -16.412 18.893 1.933 202 HB2 ARG 28 1HB ARG 28 -18.630 17.663 1.994 203 HB3 ARG 28 2HB ARG 28 -19.437 19.213 1.753 204 HG2 ARG 28 1HG ARG 28 -19.408 18.208 -0.368 205 HG3 ARG 28 2HG ARG 28 -18.110 19.409 -0.439 206 HD2 ARG 28 1HD ARG 28 -16.432 17.661 -0.076 207 HD3 ARG 28 2HD ARG 28 -17.711 16.452 0.165 208 HE ARG 28 HE ARG 28 -18.071 17.705 -2.371 209 HH11 ARG 28 1HH1 ARG 28 -15.882 15.405 -0.818 210 HH12 ARG 28 2HH1 ARG 28 -15.518 14.597 -2.320 211 HH21 ARG 28 1HH2 ARG 28 -17.549 16.632 -4.246 212 HH22 ARG 28 2HH2 ARG 28 -16.446 15.284 -4.225 213 H GLY 29 H GLY 29 -15.733 20.481 0.536 214 HA2 GLY 29 1HA GLY 29 -15.782 22.509 -0.618 215 HA3 GLY 29 2HA GLY 29 -17.287 22.938 0.217 216 H GLN 30 H GLN 30 -14.885 21.815 2.338 217 HA GLN 30 HA GLN 30 -13.798 24.493 2.955 218 HB2 GLN 30 1HB GLN 30 -15.928 23.025 4.397 219 HB3 GLN 30 2HB GLN 30 -14.601 23.575 5.418 220 HG2 GLN 30 1HG GLN 30 -14.973 25.874 4.648 221 HG3 GLN 30 2HG GLN 30 -16.331 25.308 3.653 222 HE21 GLN 30 1HE2 GLN 30 -16.703 25.632 7.704 223 HE22 GLN 30 2HE2 GLN 30 -15.130 25.776 6.927 224 H GLY 31 H GLY 31 -12.265 24.253 4.865 225 HA2 GLY 31 1HA GLY 31 -11.040 22.787 6.327 226 HA3 GLY 31 2HA GLY 31 -11.267 21.466 5.180 227 H VAL 32 H VAL 32 -10.605 23.611 3.029 228 HA VAL 32 HA VAL 32 -7.816 22.946 2.781 229 HB VAL 32 HB VAL 32 -9.437 25.216 1.493 230 HG11 VAL 32 1HG1 VAL 32 -7.674 25.094 -0.259 231 HG12 VAL 32 2HG1 VAL 32 -6.758 23.988 0.767 232 HG13 VAL 32 3HG1 VAL 32 -7.078 25.658 1.288 233 HG21 VAL 32 1HG2 VAL 32 -9.628 23.717 -0.460 234 HG22 VAL 32 2HG2 VAL 32 -10.406 23.011 0.970 235 HG23 VAL 32 3HG2 VAL 32 -8.807 22.426 0.442 236 HA PRO 33 HA PRO 33 -6.571 26.065 5.698 237 HB2 PRO 33 1HB PRO 33 -3.863 25.890 5.371 238 HB3 PRO 33 2HB PRO 33 -4.825 24.636 6.213 239 HG2 PRO 33 1HG PRO 33 -3.798 24.676 3.445 240 HG3 PRO 33 2HG PRO 33 -3.798 23.359 4.633 241 HD2 PRO 33 1HD PRO 33 -5.593 23.493 2.651 242 HD3 PRO 33 2HD PRO 33 -5.941 22.764 4.248 243 H ILE 34 H ILE 34 -5.183 28.106 5.645 244 HA ILE 34 HA ILE 34 -5.888 29.563 3.240 245 HB ILE 34 HB ILE 34 -4.164 30.374 5.606 246 HG12 ILE 34 1HG1 ILE 34 -7.029 31.048 4.860 247 HG13 ILE 34 2HG1 ILE 34 -6.551 29.867 6.080 248 HG21 ILE 34 1HG2 ILE 34 -4.354 32.669 4.769 249 HG22 ILE 34 2HG2 ILE 34 -5.355 32.121 3.399 250 HG23 ILE 34 3HG2 ILE 34 -3.641 31.666 3.504 251 HD11 ILE 34 1HD1 ILE 34 -6.103 32.837 6.146 252 HD12 ILE 34 2HD1 ILE 34 -5.385 31.689 7.302 253 HD13 ILE 34 3HD1 ILE 34 -7.145 31.862 7.197 254 H ASN 35 H ASN 35 -4.933 29.161 1.455 255 HA ASN 35 HA ASN 35 -2.062 28.431 1.457 256 HB2 ASN 35 1HB ASN 35 -4.127 28.194 -0.750 257 HB3 ASN 35 2HB ASN 35 -2.444 27.676 -0.857 258 HD21 ASN 35 1HD2 ASN 35 -4.679 24.793 -0.055 259 HD22 ASN 35 2HD2 ASN 35 -4.721 26.044 -1.268 260 H THR 36 H THR 36 -1.252 30.510 1.799 261 HA THR 36 HA THR 36 -1.884 32.768 0.142 262 HB THR 36 HB THR 36 0.203 33.709 1.116 263 HG1 THR 36 HG1 THR 36 1.528 32.393 2.324 264 HG21 THR 36 1HG2 THR 36 -0.429 33.591 3.442 265 HG22 THR 36 2HG2 THR 36 -1.277 32.048 3.187 266 HG23 THR 36 3HG2 THR 36 -1.923 33.552 2.481 267 H ASN 37 H ASN 37 -0.064 29.981 -0.433 268 HA ASN 37 HA ASN 37 1.567 31.270 -2.574 269 HB2 ASN 37 1HB ASN 37 3.009 29.274 -2.381 270 HB3 ASN 37 2HB ASN 37 2.831 30.094 -0.825 271 HD21 ASN 37 1HD2 ASN 37 1.404 27.385 0.813 272 HD22 ASN 37 2HD2 ASN 37 1.963 29.042 0.878 273 H SER 38 H SER 38 -1.389 30.297 -2.756 274 HA SER 38 HA SER 38 -0.903 28.619 -5.169 275 HB2 SER 38 1HB SER 38 -2.988 27.961 -3.070 276 HB3 SER 38 2HB SER 38 -2.574 27.013 -4.503 277 HG SER 38 HG SER 38 -0.327 27.340 -3.232 278 H SER 39 H SER 39 -2.422 28.722 -6.787 279 HA SER 39 HA SER 39 -4.061 31.109 -6.942 280 HB2 SER 39 1HB SER 39 -4.494 28.780 -8.773 281 HB3 SER 39 2HB SER 39 -4.234 30.495 -9.167 282 HG SER 39 HG SER 39 -2.424 28.419 -8.884 283 HA PRO 40 HA PRO 40 -7.755 29.431 -5.312 284 HB2 PRO 40 1HB PRO 40 -9.804 29.981 -7.045 285 HB3 PRO 40 2HB PRO 40 -8.998 31.238 -6.046 286 HG2 PRO 40 1HG PRO 40 -8.443 30.490 -8.908 287 HG3 PRO 40 2HG PRO 40 -8.776 32.108 -8.208 288 HD2 PRO 40 1HD PRO 40 -6.254 31.297 -8.644 289 HD3 PRO 40 2HD PRO 40 -6.668 32.207 -7.148 290 H ASP 41 H ASP 41 -7.017 28.639 -8.663 291 HA ASP 41 HA ASP 41 -8.568 26.298 -9.018 292 HB2 ASP 41 1HB ASP 41 -5.733 26.773 -10.007 293 HB3 ASP 41 2HB ASP 41 -6.996 25.817 -10.791 294 H ASP 42 H ASP 42 -5.661 26.956 -7.203 295 HA ASP 42 HA ASP 42 -4.861 24.125 -7.139 296 HB2 ASP 42 1HB ASP 42 -3.524 26.694 -6.317 297 HB3 ASP 42 2HB ASP 42 -2.818 25.102 -6.042 298 H GLN 43 H GLN 43 -6.865 25.933 -5.252 299 HA GLN 43 HA GLN 43 -5.922 25.433 -2.623 300 HB2 GLN 43 1HB GLN 43 -8.748 25.653 -3.707 301 HB3 GLN 43 2HB GLN 43 -8.315 25.762 -2.007 302 HG2 GLN 43 1HG GLN 43 -7.500 27.656 -4.203 303 HG3 GLN 43 2HG GLN 43 -8.633 27.989 -2.895 304 HE21 GLN 43 1HE2 GLN 43 -4.786 28.824 -2.476 305 HE22 GLN 43 2HE2 GLN 43 -5.612 28.548 -3.988 306 H ILE 44 H ILE 44 -7.571 23.274 -4.852 307 HA ILE 44 HA ILE 44 -8.597 21.425 -2.968 308 HB ILE 44 HB ILE 44 -9.294 21.563 -5.306 309 HG12 ILE 44 1HG1 ILE 44 -8.207 18.790 -4.909 310 HG13 ILE 44 2HG1 ILE 44 -9.485 19.450 -3.883 311 HG21 ILE 44 1HG2 ILE 44 -7.200 22.034 -6.424 312 HG22 ILE 44 2HG2 ILE 44 -7.898 20.561 -7.099 313 HG23 ILE 44 3HG2 ILE 44 -6.552 20.443 -5.965 314 HD11 ILE 44 1HD1 ILE 44 -10.890 19.873 -5.898 315 HD12 ILE 44 2HD1 ILE 44 -10.476 18.159 -5.719 316 HD13 ILE 44 3HD1 ILE 44 -9.626 19.147 -6.916 317 H GLY 45 H GLY 45 -7.891 19.622 -1.971 318 HA2 GLY 45 1HA GLY 45 -5.478 18.242 -2.561 319 HA3 GLY 45 2HA GLY 45 -5.126 19.476 -1.341 320 H TYR 46 H TYR 46 -4.622 17.770 0.151 321 HA TYR 46 HA TYR 46 -7.022 16.908 1.608 322 HB2 TYR 46 1HB TYR 46 -6.490 14.553 1.556 323 HB3 TYR 46 2HB TYR 46 -6.632 15.116 -0.099 324 HD1 TYR 46 HD1 TYR 46 -4.441 13.790 2.487 325 HD2 TYR 46 HD2 TYR 46 -4.587 15.326 -1.527 326 HE1 TYR 46 HE1 TYR 46 -2.177 12.807 1.991 327 HE2 TYR 46 HE2 TYR 46 -2.329 14.373 -1.996 328 HH TYR 46 HH TYR 46 -0.552 13.204 -1.167 329 H TYR 47 H TYR 47 -6.272 15.718 3.681 330 HA TYR 47 HA TYR 47 -3.580 16.795 4.477 331 HB2 TYR 47 1HB TYR 47 -5.989 16.153 6.166 332 HB3 TYR 47 2HB TYR 47 -4.391 16.419 6.816 333 HD1 TYR 47 HD1 TYR 47 -6.867 18.238 4.574 334 HD2 TYR 47 HD2 TYR 47 -3.841 18.506 7.632 335 HE1 TYR 47 HE1 TYR 47 -7.330 20.651 4.843 336 HE2 TYR 47 HE2 TYR 47 -4.331 20.927 7.880 337 HH TYR 47 HH TYR 47 -6.939 22.537 6.073 338 H ARG 48 H ARG 48 -2.125 15.419 5.250 339 HA ARG 48 HA ARG 48 -2.742 12.501 5.013 340 HB2 ARG 48 1HB ARG 48 -1.090 13.765 3.479 341 HB3 ARG 48 2HB ARG 48 -0.035 13.890 4.876 342 HG2 ARG 48 1HG ARG 48 0.274 11.513 4.962 343 HG3 ARG 48 2HG ARG 48 -1.068 11.247 3.827 344 HD2 ARG 48 1HD ARG 48 0.212 12.632 2.137 345 HD3 ARG 48 2HD ARG 48 1.607 12.554 3.220 346 HE ARG 48 HE ARG 48 0.388 10.343 1.663 347 HH11 ARG 48 1HH1 ARG 48 2.974 11.313 3.875 348 HH12 ARG 48 2HH1 ARG 48 3.918 9.884 3.512 349 HH21 ARG 48 1HH2 ARG 48 1.657 8.558 1.296 350 HH22 ARG 48 2HH2 ARG 48 3.200 8.382 2.105 351 H ARG 49 H ARG 49 -2.821 11.433 6.898 352 HA ARG 49 HA ARG 49 -1.932 12.599 9.393 353 HB2 ARG 49 1HB ARG 49 -3.732 10.853 9.042 354 HB3 ARG 49 2HB ARG 49 -2.455 9.680 8.758 355 HG2 ARG 49 1HG ARG 49 -1.637 9.935 11.036 356 HG3 ARG 49 2HG ARG 49 -2.750 11.285 11.338 357 HD2 ARG 49 1HD ARG 49 -3.586 9.152 12.309 358 HD3 ARG 49 2HD ARG 49 -4.672 9.799 11.065 359 HE ARG 49 HE ARG 49 -2.825 8.054 9.847 360 HH11 ARG 49 1HH1 ARG 49 -5.714 7.871 11.883 361 HH12 ARG 49 2HH1 ARG 49 -6.085 6.262 11.309 362 HH21 ARG 49 1HH2 ARG 49 -3.363 6.020 9.216 363 HH22 ARG 49 2HH2 ARG 49 -4.812 5.258 9.799 364 H ALA 50 H ALA 50 -0.084 12.279 10.568 365 HA ALA 50 HA ALA 50 1.947 10.382 9.529 366 HB1 ALA 50 1HB ALA 50 2.445 12.557 8.462 367 HB2 ALA 50 2HB ALA 50 3.690 12.141 9.665 368 HB3 ALA 50 3HB ALA 50 2.436 13.339 10.060 369 H THR 51 H THR 51 3.385 9.666 11.051 370 HA THR 51 HA THR 51 3.521 10.758 13.765 371 HB THR 51 HB THR 51 3.205 8.050 14.334 372 HG1 THR 51 HG1 THR 51 1.008 8.756 12.683 373 HG21 THR 51 1HG2 THR 51 1.140 8.633 15.445 374 HG22 THR 51 2HG2 THR 51 0.965 10.080 14.436 375 HG23 THR 51 3HG2 THR 51 2.284 9.983 15.625 376 H ARG 52 H ARG 52 5.470 9.805 14.768 377 HA ARG 52 HA ARG 52 6.912 7.795 13.167 378 HB2 ARG 52 1HB ARG 52 7.452 10.199 12.325 379 HB3 ARG 52 2HB ARG 52 8.312 10.399 13.850 380 HG2 ARG 52 1HG ARG 52 9.946 9.798 12.237 381 HG3 ARG 52 2HG ARG 52 9.681 8.323 13.188 382 HD2 ARG 52 1HD ARG 52 8.263 7.387 11.438 383 HD3 ARG 52 2HD ARG 52 8.247 8.925 10.568 384 HE ARG 52 HE ARG 52 10.369 8.509 9.711 385 HH11 ARG 52 1HH1 ARG 52 9.587 5.945 12.022 386 HH12 ARG 52 2HH1 ARG 52 10.902 4.941 11.481 387 HH21 ARG 52 1HH2 ARG 52 12.001 7.157 9.068 388 HH22 ARG 52 2HH2 ARG 52 12.241 5.616 9.844 389 H ARG 53 H ARG 53 8.039 6.437 14.513 390 HA ARG 53 HA ARG 53 8.901 7.485 17.133 391 HB2 ARG 53 1HB ARG 53 6.618 6.515 17.471 392 HB3 ARG 53 2HB ARG 53 7.218 4.966 16.859 393 HG2 ARG 53 1HG ARG 53 8.769 4.771 18.736 394 HG3 ARG 53 2HG ARG 53 8.338 6.396 19.306 395 HD2 ARG 53 1HD ARG 53 6.048 5.595 19.494 396 HD3 ARG 53 2HD ARG 53 6.647 3.972 19.122 397 HE ARG 53 HE ARG 53 8.202 4.924 21.245 398 HH11 ARG 53 1HH1 ARG 53 4.780 4.163 20.777 399 HH12 ARG 53 2HH1 ARG 53 4.537 3.806 22.465 400 HH21 ARG 53 1HH2 ARG 53 7.805 4.447 23.383 401 HH22 ARG 53 2HH2 ARG 53 6.218 3.953 23.904 402 H ILE 54 H ILE 54 10.330 6.339 18.172 403 HA ILE 54 HA ILE 54 11.753 4.100 16.884 404 HB ILE 54 HB ILE 54 13.896 5.166 16.845 405 HG12 ILE 54 1HG1 ILE 54 13.922 6.468 18.846 406 HG13 ILE 54 2HG1 ILE 54 14.339 7.484 17.494 407 HG21 ILE 54 1HG2 ILE 54 13.734 6.943 15.180 408 HG22 ILE 54 2HG2 ILE 54 12.029 7.223 15.595 409 HG23 ILE 54 3HG2 ILE 54 12.524 5.686 14.850 410 HD11 ILE 54 1HD1 ILE 54 13.012 8.733 18.987 411 HD12 ILE 54 2HD1 ILE 54 11.736 7.500 18.977 412 HD13 ILE 54 3HD1 ILE 54 12.086 8.445 17.511 413 H ARG 55 H ARG 55 13.686 3.717 18.658 414 HA ARG 55 HA ARG 55 12.608 4.361 21.378 415 HB2 ARG 55 1HB ARG 55 12.282 1.949 20.769 416 HB3 ARG 55 2HB ARG 55 14.019 1.797 20.511 417 HG2 ARG 55 1HG ARG 55 13.303 2.870 23.188 418 HG3 ARG 55 2HG ARG 55 12.676 1.243 22.864 419 HD2 ARG 55 1HD ARG 55 15.055 0.648 22.080 420 HD3 ARG 55 2HD ARG 55 15.573 2.157 22.841 421 HE ARG 55 HE ARG 55 14.597 -0.301 24.172 422 HH11 ARG 55 1HH1 ARG 55 15.662 3.045 24.622 423 HH12 ARG 55 2HH1 ARG 55 16.004 2.794 26.317 424 HH21 ARG 55 1HH2 ARG 55 15.033 -0.519 26.341 425 HH22 ARG 55 2HH2 ARG 55 15.633 0.833 27.263 426 H GLY 56 H GLY 56 13.963 6.120 21.755 427 HA2 GLY 56 1HA GLY 56 16.774 6.035 21.021 428 HA3 GLY 56 2HA GLY 56 15.995 7.204 22.123 429 H GLY 57 H GLY 57 18.562 5.919 22.710 430 HA2 GLY 57 1HA GLY 57 18.236 3.605 24.321 431 HA3 GLY 57 2HA GLY 57 19.564 4.770 24.457 432 H ASP 58 H ASP 58 18.115 7.057 25.154 433 HA ASP 58 HA ASP 58 17.379 6.418 27.944 434 HB2 ASP 58 1HB ASP 58 19.073 8.163 27.351 435 HB3 ASP 58 2HB ASP 58 17.776 9.090 26.607 436 H GLY 59 H GLY 59 15.732 6.137 25.330 437 HA2 GLY 59 1HA GLY 59 13.453 5.613 25.380 438 HA3 GLY 59 2HA GLY 59 13.247 6.635 26.794 439 H LYS 60 H LYS 60 14.773 8.541 24.575 440 HA LYS 60 HA LYS 60 12.546 10.210 24.215 441 HB2 LYS 60 1HB LYS 60 15.166 10.028 22.687 442 HB3 LYS 60 2HB LYS 60 13.953 11.282 22.405 443 HG2 LYS 60 1HG LYS 60 15.336 12.382 23.864 444 HG3 LYS 60 2HG LYS 60 14.168 11.682 25.002 445 HD2 LYS 60 1HD LYS 60 15.719 9.816 25.438 446 HD3 LYS 60 2HD LYS 60 16.856 10.477 24.254 447 HE2 LYS 60 1HE LYS 60 17.598 11.022 26.419 448 HE3 LYS 60 2HE LYS 60 17.033 12.516 25.648 449 HZ1 LYS 60 1HZ LYS 60 15.703 10.940 27.777 450 HZ2 LYS 60 2HZ LYS 60 14.919 12.151 26.959 451 HZ3 LYS 60 3HZ LYS 60 16.252 12.482 27.879 452 H MET 61 H MET 61 11.152 10.559 22.746 453 HA MET 61 HA MET 61 10.705 8.514 20.646 454 HB2 MET 61 1HB MET 61 8.943 10.631 21.920 455 HB3 MET 61 2HB MET 61 8.470 9.694 20.503 456 HG2 MET 61 1HG MET 61 8.944 7.600 21.856 457 HG3 MET 61 2HG MET 61 9.077 8.645 23.279 458 HE1 MET 61 1HE MET 61 5.559 7.423 20.747 459 HE2 MET 61 2HE MET 61 7.185 7.901 20.169 460 HE3 MET 61 3HE MET 61 5.898 9.120 20.361 461 H LYS 62 H LYS 62 9.396 9.728 18.693 462 HA LYS 62 HA LYS 62 11.324 11.805 17.732 463 HB2 LYS 62 1HB LYS 62 10.438 9.353 16.574 464 HB3 LYS 62 2HB LYS 62 9.684 10.651 15.637 465 HG2 LYS 62 1HG LYS 62 12.618 10.437 16.239 466 HG3 LYS 62 2HG LYS 62 11.840 9.957 14.724 467 HD2 LYS 62 1HD LYS 62 11.182 12.262 14.262 468 HD3 LYS 62 2HD LYS 62 11.744 12.787 15.860 469 HE2 LYS 62 1HE LYS 62 14.044 12.064 15.267 470 HE3 LYS 62 2HE LYS 62 13.475 11.725 13.616 471 HZ1 LYS 62 1HZ LYS 62 12.823 14.067 13.435 472 HZ2 LYS 62 2HZ LYS 62 14.428 13.959 13.798 473 HZ3 LYS 62 3HZ LYS 62 13.343 14.374 14.969 474 H ASP 63 H ASP 63 8.006 10.702 17.310 475 HA ASP 63 HA ASP 63 7.053 13.539 17.294 476 HB2 ASP 63 1HB ASP 63 6.975 12.103 15.065 477 HB3 ASP 63 2HB ASP 63 5.647 11.261 15.879 478 H LEU 64 H LEU 64 4.702 13.495 18.138 479 HA LEU 64 HA LEU 64 4.489 11.361 20.244 480 HB2 LEU 64 1HB LEU 64 3.792 14.312 20.428 481 HB3 LEU 64 2HB LEU 64 3.452 13.112 21.679 482 HG LEU 64 HG LEU 64 6.232 13.884 20.717 483 HD11 LEU 64 1HD1 LEU 64 6.397 15.093 22.854 484 HD12 LEU 64 2HD1 LEU 64 4.708 14.679 23.231 485 HD13 LEU 64 3HD1 LEU 64 5.084 15.740 21.851 486 HD21 LEU 64 1HD2 LEU 64 6.979 12.716 22.790 487 HD22 LEU 64 2HD2 LEU 64 6.209 11.616 21.632 488 HD23 LEU 64 3HD2 LEU 64 5.308 12.170 23.064 489 H SER 65 H SER 65 2.061 13.839 19.970 490 HA SER 65 HA SER 65 -0.041 11.937 19.579 491 HB2 SER 65 1HB SER 65 -0.670 14.687 18.813 492 HB3 SER 65 2HB SER 65 -1.285 13.729 20.178 493 HG SER 65 HG SER 65 -0.106 15.526 20.911 494 HA PRO 66 HA PRO 66 0.129 11.740 15.245 495 HB2 PRO 66 1HB PRO 66 -2.462 11.580 14.353 496 HB3 PRO 66 2HB PRO 66 -1.643 10.233 15.209 497 HG2 PRO 66 1HG PRO 66 -3.489 12.323 16.315 498 HG3 PRO 66 2HG PRO 66 -3.542 10.549 16.529 499 HD2 PRO 66 1HD PRO 66 -2.453 12.176 18.396 500 HD3 PRO 66 2HD PRO 66 -1.738 10.565 18.031 501 H ARG 67 H ARG 67 0.338 13.058 13.516 502 HA ARG 67 HA ARG 67 -0.951 15.743 13.754 503 HB2 ARG 67 1HB ARG 67 1.670 15.261 12.354 504 HB3 ARG 67 2HB ARG 67 1.019 16.756 13.035 505 HG2 ARG 67 1HG ARG 67 1.261 15.562 15.325 506 HG3 ARG 67 2HG ARG 67 2.302 14.429 14.441 507 HD2 ARG 67 1HD ARG 67 3.855 15.925 15.147 508 HD3 ARG 67 2HD ARG 67 3.433 16.651 13.588 509 HE ARG 67 HE ARG 67 1.675 17.765 15.466 510 HH11 ARG 67 1HH1 ARG 67 5.195 17.759 15.058 511 HH12 ARG 67 2HH1 ARG 67 5.354 19.316 15.855 512 HH21 ARG 67 1HH2 ARG 67 2.005 19.681 16.494 513 HH22 ARG 67 2HH2 ARG 67 3.628 20.350 16.652 514 H TRP 68 H TRP 68 -1.264 16.853 11.698 515 HA TRP 68 HA TRP 68 -1.509 14.982 9.374 516 HB2 TRP 68 1HB TRP 68 -3.554 16.929 10.478 517 HB3 TRP 68 2HB TRP 68 -3.631 16.276 8.839 518 HD1 TRP 68 HD1 TRP 68 -3.667 14.946 12.500 519 HE1 TRP 68 HE1 TRP 68 -5.038 12.807 12.631 520 HE3 TRP 68 HE3 TRP 68 -4.660 14.436 7.513 521 HZ2 TRP 68 HZ2 TRP 68 -6.322 11.045 10.791 522 HZ3 TRP 68 HZ3 TRP 68 -6.045 12.507 6.753 523 HH2 TRP 68 HH2 TRP 68 -6.870 10.828 8.398 524 H TYR 69 H TYR 69 -0.614 15.764 7.576 525 HA TYR 69 HA TYR 69 0.255 18.648 7.566 526 HB2 TYR 69 1HB TYR 69 1.336 16.134 6.229 527 HB3 TYR 69 2HB TYR 69 1.890 17.757 5.836 528 HD1 TYR 69 HD1 TYR 69 1.643 15.332 8.729 529 HD2 TYR 69 HD2 TYR 69 3.643 18.776 7.078 530 HE1 TYR 69 HE1 TYR 69 3.361 15.220 10.538 531 HE2 TYR 69 HE2 TYR 69 5.366 18.625 8.878 532 HH TYR 69 HH TYR 69 5.250 16.110 11.417 533 H PHE 70 H PHE 70 -0.223 19.866 5.620 534 HA PHE 70 HA PHE 70 -2.459 18.708 4.080 535 HB2 PHE 70 1HB PHE 70 -2.741 20.979 4.933 536 HB3 PHE 70 2HB PHE 70 -1.272 21.498 4.096 537 HD1 PHE 70 HD1 PHE 70 -4.645 19.976 3.427 538 HD2 PHE 70 HD2 PHE 70 -1.405 22.359 1.908 539 HE1 PHE 70 HE1 PHE 70 -5.971 20.467 1.376 540 HE2 PHE 70 HE2 PHE 70 -2.737 22.878 -0.130 541 HZ PHE 70 HZ PHE 70 -5.022 21.930 -0.405 542 H TYR 71 H TYR 71 -2.331 18.015 2.080 543 HA TYR 71 HA TYR 71 0.189 18.502 0.550 544 HB2 TYR 71 1HB TYR 71 -0.926 16.043 1.701 545 HB3 TYR 71 2HB TYR 71 -0.607 15.908 -0.043 546 HD1 TYR 71 HD1 TYR 71 1.500 15.018 -0.591 547 HD2 TYR 71 HD2 TYR 71 1.132 17.329 3.013 548 HE1 TYR 71 HE1 TYR 71 3.922 14.681 -0.127 549 HE2 TYR 71 HE2 TYR 71 3.546 17.003 3.470 550 HH TYR 71 HH TYR 71 5.537 16.055 2.719 551 H TYR 72 H TYR 72 -0.173 18.962 -1.527 552 HA TYR 72 HA TYR 72 -2.842 19.618 -2.350 553 HB2 TYR 72 1HB TYR 72 -0.178 19.636 -3.797 554 HB3 TYR 72 2HB TYR 72 -1.686 20.257 -4.469 555 HD1 TYR 72 HD1 TYR 72 0.836 20.778 -1.759 556 HD2 TYR 72 HD2 TYR 72 -2.609 22.388 -3.791 557 HE1 TYR 72 HE1 TYR 72 1.152 22.958 -0.593 558 HE2 TYR 72 HE2 TYR 72 -2.252 24.568 -2.646 559 HH TYR 72 HH TYR 72 -0.795 25.812 -1.339 560 H LEU 73 H LEU 73 -3.864 18.966 -4.382 561 HA LEU 73 HA LEU 73 -4.340 16.203 -4.498 562 HB2 LEU 73 1HB LEU 73 -5.371 18.458 -5.679 563 HB3 LEU 73 2HB LEU 73 -4.607 17.683 -7.053 564 HG LEU 73 HG LEU 73 -6.878 16.636 -5.348 565 HD11 LEU 73 1HD1 LEU 73 -7.316 18.292 -7.171 566 HD12 LEU 73 2HD1 LEU 73 -8.104 16.730 -7.434 567 HD13 LEU 73 3HD1 LEU 73 -6.630 17.143 -8.335 568 HD21 LEU 73 1HD2 LEU 73 -6.921 14.664 -6.900 569 HD22 LEU 73 2HD2 LEU 73 -5.554 14.665 -5.781 570 HD23 LEU 73 3HD2 LEU 73 -5.311 15.137 -7.482 571 H GLY 74 H GLY 74 -3.328 14.487 -5.363 572 HA2 GLY 74 1HA GLY 74 -2.035 13.239 -6.789 573 HA3 GLY 74 2HA GLY 74 -1.857 14.656 -7.821 574 H THR 75 H THR 75 -0.774 14.760 -4.434 575 HA THR 75 HA THR 75 1.986 15.122 -5.461 576 HB THR 75 HB THR 75 2.402 15.480 -2.906 577 HG1 THR 75 HG1 THR 75 -0.382 16.024 -2.883 578 HG21 THR 75 1HG2 THR 75 1.422 17.781 -2.971 579 HG22 THR 75 2HG2 THR 75 0.629 17.356 -4.506 580 HG23 THR 75 3HG2 THR 75 2.408 17.372 -4.387 581 H GLY 76 H GLY 76 3.704 13.817 -4.874 582 HA2 GLY 76 1HA GLY 76 4.710 12.012 -3.676 583 HA3 GLY 76 2HA GLY 76 3.109 11.324 -3.354 584 HA PRO 77 HA PRO 77 4.949 10.225 -7.673 585 HB2 PRO 77 1HB PRO 77 6.717 8.156 -7.326 586 HB3 PRO 77 2HB PRO 77 7.188 9.874 -7.273 587 HG2 PRO 77 1HG PRO 77 6.587 8.051 -4.971 588 HG3 PRO 77 2HG PRO 77 8.006 9.114 -5.227 589 HD2 PRO 77 1HD PRO 77 5.925 9.895 -3.700 590 HD3 PRO 77 2HD PRO 77 6.778 11.059 -4.775 591 H GLU 78 H GLU 78 4.547 7.802 -5.106 592 HA GLU 78 HA GLU 78 3.045 6.050 -7.005 593 HB2 GLU 78 1HB GLU 78 3.514 4.263 -5.363 594 HB3 GLU 78 2HB GLU 78 4.992 5.006 -5.984 595 HG2 GLU 78 1HG GLU 78 5.218 6.342 -3.926 596 HG3 GLU 78 2HG GLU 78 3.720 5.644 -3.296 597 H ALA 79 H ALA 79 2.131 8.534 -5.559 598 HA ALA 79 HA ALA 79 0.614 7.838 -3.290 599 HB1 ALA 79 1HB ALA 79 1.081 10.154 -3.878 600 HB2 ALA 79 2HB ALA 79 -0.676 9.928 -3.780 601 HB3 ALA 79 3HB ALA 79 0.127 10.022 -5.366 602 H GLY 80 H GLY 80 -0.305 7.889 -6.744 603 HA2 GLY 80 1HA GLY 80 -2.089 6.928 -7.848 604 HA3 GLY 80 2HA GLY 80 -2.060 5.703 -6.568 605 H LEU 81 H LEU 81 -2.748 9.179 -6.072 606 HA LEU 81 HA LEU 81 -5.432 8.340 -5.147 607 HB2 LEU 81 1HB LEU 81 -3.337 10.201 -4.078 608 HB3 LEU 81 2HB LEU 81 -5.015 10.510 -3.747 609 HG LEU 81 HG LEU 81 -3.500 8.045 -2.905 610 HD11 LEU 81 1HD1 LEU 81 -3.832 9.018 -0.635 611 HD12 LEU 81 2HD1 LEU 81 -4.574 10.450 -1.374 612 HD13 LEU 81 3HD1 LEU 81 -2.864 10.071 -1.684 613 HD21 LEU 81 1HD2 LEU 81 -5.534 7.507 -1.597 614 HD22 LEU 81 2HD2 LEU 81 -5.842 7.467 -3.344 615 HD23 LEU 81 3HD2 LEU 81 -6.383 8.850 -2.366 616 HA PRO 82 HA PRO 82 -6.821 11.661 -7.904 617 HB2 PRO 82 1HB PRO 82 -9.220 10.505 -8.468 618 HB3 PRO 82 2HB PRO 82 -7.718 9.976 -9.297 619 HG2 PRO 82 1HG PRO 82 -9.156 8.732 -6.977 620 HG3 PRO 82 2HG PRO 82 -8.437 7.951 -8.407 621 HD2 PRO 82 1HD PRO 82 -7.233 8.064 -5.988 622 HD3 PRO 82 2HD PRO 82 -6.354 7.926 -7.529 623 H TYR 83 H TYR 83 -8.784 13.084 -7.423 624 HA TYR 83 HA TYR 83 -8.973 13.510 -4.625 625 HB2 TYR 83 1HB TYR 83 -9.334 15.245 -6.351 626 HB3 TYR 83 2HB TYR 83 -10.847 14.460 -6.813 627 HD1 TYR 83 HD1 TYR 83 -9.094 16.263 -4.059 628 HD2 TYR 83 HD2 TYR 83 -12.867 14.824 -5.529 629 HE1 TYR 83 HE1 TYR 83 -10.276 17.554 -2.289 630 HE2 TYR 83 HE2 TYR 83 -14.044 16.130 -3.755 631 HH TYR 83 HH TYR 83 -13.829 17.616 -2.028 632 H GLY 84 H GLY 84 -10.247 12.735 -3.078 633 HA2 GLY 84 1HA GLY 84 -12.258 11.947 -2.168 634 HA3 GLY 84 2HA GLY 84 -12.845 11.542 -3.781 635 H ALA 85 H ALA 85 -9.846 10.189 -3.845 636 HA ALA 85 HA ALA 85 -10.887 7.551 -3.506 637 HB1 ALA 85 1HB ALA 85 -9.070 7.763 -4.947 638 HB2 ALA 85 2HB ALA 85 -8.398 6.932 -3.532 639 HB3 ALA 85 3HB ALA 85 -8.101 8.672 -3.771 640 H ASN 86 H ASN 86 -11.026 6.197 -1.849 641 HA ASN 86 HA ASN 86 -10.534 7.224 0.830 642 HB2 ASN 86 1HB ASN 86 -12.495 5.764 0.117 643 HB3 ASN 86 2HB ASN 86 -11.353 4.416 -0.017 644 HD21 ASN 86 1HD2 ASN 86 -12.725 3.974 3.283 645 HD22 ASN 86 2HD2 ASN 86 -13.117 3.701 1.603 646 H LYS 87 H LYS 87 -8.759 6.913 2.050 647 HA LYS 87 HA LYS 87 -7.069 4.544 1.711 648 HB2 LYS 87 1HB LYS 87 -6.217 6.099 -0.023 649 HB3 LYS 87 2HB LYS 87 -5.978 7.330 1.187 650 HG2 LYS 87 1HG LYS 87 -4.134 6.267 2.152 651 HG3 LYS 87 2HG LYS 87 -4.617 4.659 1.554 652 HD2 LYS 87 1HD LYS 87 -3.624 6.903 -0.213 653 HD3 LYS 87 2HD LYS 87 -2.581 5.645 0.447 654 HE2 LYS 87 1HE LYS 87 -3.957 3.913 -0.729 655 HE3 LYS 87 2HE LYS 87 -4.937 5.199 -1.450 656 HZ1 LYS 87 1HZ LYS 87 -2.027 4.793 -1.918 657 HZ2 LYS 87 2HZ LYS 87 -2.917 6.017 -2.571 658 HZ3 LYS 87 3HZ LYS 87 -3.233 4.455 -2.986 659 H ASP 88 H ASP 88 -5.709 4.309 3.554 660 HA ASP 88 HA ASP 88 -6.930 5.263 5.951 661 HB2 ASP 88 1HB ASP 88 -5.681 3.112 5.728 662 HB3 ASP 88 2HB ASP 88 -4.177 4.034 5.575 663 H GLY 89 H GLY 89 -6.609 7.028 7.146 664 HA2 GLY 89 1HA GLY 89 -5.597 8.918 7.991 665 HA3 GLY 89 2HA GLY 89 -4.067 8.357 7.311 666 H ILE 90 H ILE 90 -6.858 8.864 5.203 667 HA ILE 90 HA ILE 90 -5.606 11.410 4.255 668 HB ILE 90 HB ILE 90 -6.823 9.181 2.522 669 HG12 ILE 90 1HG1 ILE 90 -4.586 8.607 3.363 670 HG13 ILE 90 2HG1 ILE 90 -4.605 8.850 1.625 671 HG21 ILE 90 1HG2 ILE 90 -5.976 10.630 0.599 672 HG22 ILE 90 2HG2 ILE 90 -5.722 11.935 1.781 673 HG23 ILE 90 3HG2 ILE 90 -7.353 11.301 1.489 674 HD11 ILE 90 1HD1 ILE 90 -3.708 11.057 3.469 675 HD12 ILE 90 2HD1 ILE 90 -3.391 10.822 1.733 676 HD13 ILE 90 3HD1 ILE 90 -2.626 9.745 2.920 677 H ILE 91 H ILE 91 -6.918 13.086 4.151 678 HA ILE 91 HA ILE 91 -9.843 12.583 3.784 679 HB ILE 91 HB ILE 91 -10.325 14.542 5.280 680 HG12 ILE 91 1HG1 ILE 91 -7.895 14.305 6.878 681 HG13 ILE 91 2HG1 ILE 91 -7.526 14.850 5.271 682 HG21 ILE 91 1HG2 ILE 91 -10.248 13.300 7.359 683 HG22 ILE 91 2HG2 ILE 91 -8.961 12.237 6.734 684 HG23 ILE 91 3HG2 ILE 91 -10.592 12.164 6.035 685 HD11 ILE 91 1HD1 ILE 91 -7.962 16.738 6.784 686 HD12 ILE 91 2HD1 ILE 91 -9.615 16.144 7.043 687 HD13 ILE 91 3HD1 ILE 91 -9.096 16.689 5.425 688 H TRP 92 H TRP 92 -10.566 13.549 2.016 689 HA TRP 92 HA TRP 92 -8.891 15.539 0.686 690 HB2 TRP 92 1HB TRP 92 -11.508 14.208 -0.058 691 HB3 TRP 92 2HB TRP 92 -10.598 15.307 -1.098 692 HD1 TRP 92 HD1 TRP 92 -10.582 11.755 0.199 693 HE1 TRP 92 HE1 TRP 92 -8.786 10.376 -0.938 694 HE3 TRP 92 HE3 TRP 92 -8.193 15.595 -2.202 695 HZ2 TRP 92 HZ2 TRP 92 -6.602 10.880 -2.656 696 HZ3 TRP 92 HZ3 TRP 92 -6.197 15.060 -3.599 697 HH2 TRP 92 HH2 TRP 92 -5.411 12.699 -3.833 698 H VAL 93 H VAL 93 -9.262 17.633 0.304 699 HA VAL 93 HA VAL 93 -11.850 18.823 1.165 700 HB VAL 93 HB VAL 93 -10.560 20.747 2.195 701 HG11 VAL 93 1HG1 VAL 93 -10.142 19.635 4.338 702 HG12 VAL 93 2HG1 VAL 93 -10.142 18.046 3.542 703 HG13 VAL 93 3HG1 VAL 93 -11.631 19.019 3.594 704 HG21 VAL 93 1HG2 VAL 93 -8.250 20.440 2.888 705 HG22 VAL 93 2HG2 VAL 93 -8.339 20.227 1.128 706 HG23 VAL 93 3HG2 VAL 93 -8.203 18.807 2.193 707 H ALA 94 H ALA 94 -12.322 20.813 0.101 708 HA ALA 94 HA ALA 94 -10.558 21.851 -1.980 709 HB1 ALA 94 1HB ALA 94 -11.556 19.822 -3.111 710 HB2 ALA 94 2HB ALA 94 -12.065 21.351 -3.859 711 HB3 ALA 94 3HB ALA 94 -13.176 20.476 -2.776 712 H THR 95 H THR 95 -11.784 23.707 -3.047 713 HA THR 95 HA THR 95 -14.110 24.656 -1.462 714 HB THR 95 HB THR 95 -11.956 25.739 -0.577 715 HG1 THR 95 HG1 THR 95 -12.904 27.896 -0.834 716 HG21 THR 95 1HG2 THR 95 -10.831 27.386 -1.904 717 HG22 THR 95 2HG2 THR 95 -11.999 27.222 -3.233 718 HG23 THR 95 3HG2 THR 95 -10.869 25.899 -2.872 719 H GLU 96 H GLU 96 -14.915 26.743 -2.791 720 HA GLU 96 HA GLU 96 -15.600 25.752 -5.384 721 HB2 GLU 96 1HB GLU 96 -16.972 27.253 -3.921 722 HB3 GLU 96 2HB GLU 96 -15.856 28.575 -4.287 723 HG2 GLU 96 1HG GLU 96 -16.440 28.431 -6.667 724 HG3 GLU 96 2HG GLU 96 -17.497 27.048 -6.335 725 H GLY 97 H GLY 97 -14.791 26.156 -7.358 726 HA2 GLY 97 1HA GLY 97 -13.667 27.388 -9.017 727 HA3 GLY 97 2HA GLY 97 -12.867 28.349 -7.769 728 H ALA 98 H ALA 98 -12.407 25.420 -6.556 729 HA ALA 98 HA ALA 98 -9.699 25.285 -7.542 730 HB1 ALA 98 1HB ALA 98 -10.456 24.751 -5.224 731 HB2 ALA 98 2HB ALA 98 -9.437 23.515 -5.986 732 HB3 ALA 98 3HB ALA 98 -11.200 23.267 -5.870 733 H LEU 99 H LEU 99 -8.787 23.968 -9.059 734 HA LEU 99 HA LEU 99 -10.670 22.461 -10.765 735 HB2 LEU 99 1HB LEU 99 -7.753 23.194 -11.066 736 HB3 LEU 99 2HB LEU 99 -8.631 22.195 -12.204 737 HG LEU 99 HG LEU 99 -9.111 25.129 -11.648 738 HD11 LEU 99 1HD1 LEU 99 -8.363 25.276 -14.012 739 HD12 LEU 99 2HD1 LEU 99 -8.112 23.507 -14.029 740 HD13 LEU 99 3HD1 LEU 99 -7.127 24.551 -12.969 741 HD21 LEU 99 1HD2 LEU 99 -10.735 24.996 -13.543 742 HD22 LEU 99 2HD2 LEU 99 -11.288 24.122 -12.106 743 HD23 LEU 99 3HD2 LEU 99 -10.619 23.220 -13.493 744 H ASN 100 H ASN 100 -10.760 20.387 -11.027 745 HA ASN 100 HA ASN 100 -9.305 18.651 -9.168 746 HB2 ASN 100 1HB ASN 100 -11.734 18.361 -9.675 747 HB3 ASN 100 2HB ASN 100 -11.313 17.952 -11.344 748 HD21 ASN 100 1HD2 ASN 100 -11.184 14.605 -10.468 749 HD22 ASN 100 2HD2 ASN 100 -11.763 15.856 -11.539 750 H THR 101 H THR 101 -7.212 19.318 -10.208 751 HA THR 101 HA THR 101 -6.493 17.301 -12.284 752 HB THR 101 HB THR 101 -6.905 19.780 -13.197 753 HG1 THR 101 HG1 THR 101 -5.214 19.437 -14.678 754 HG21 THR 101 1HG2 THR 101 -4.981 21.229 -13.091 755 HG22 THR 101 2HG2 THR 101 -4.065 20.024 -12.150 756 HG23 THR 101 3HG2 THR 101 -5.480 20.843 -11.431 757 HA PRO 102 HA PRO 102 -3.232 16.798 -9.322 758 HB2 PRO 102 1HB PRO 102 -1.055 16.216 -10.884 759 HB3 PRO 102 2HB PRO 102 -2.362 15.027 -10.559 760 HG2 PRO 102 1HG PRO 102 -1.951 16.831 -12.937 761 HG3 PRO 102 2HG PRO 102 -2.349 15.086 -12.900 762 HD2 PRO 102 1HD PRO 102 -4.231 16.930 -13.303 763 HD3 PRO 102 2HD PRO 102 -4.555 15.474 -12.306 764 H LYS 103 H LYS 103 -1.582 17.976 -8.318 765 HA LYS 103 HA LYS 103 -0.178 20.053 -9.872 766 HB2 LYS 103 1HB LYS 103 -0.827 21.831 -8.223 767 HB3 LYS 103 2HB LYS 103 -2.071 21.310 -9.337 768 HG2 LYS 103 1HG LYS 103 -2.802 19.718 -7.327 769 HG3 LYS 103 2HG LYS 103 -1.884 20.878 -6.373 770 HD2 LYS 103 1HD LYS 103 -4.176 21.578 -6.366 771 HD3 LYS 103 2HD LYS 103 -3.253 22.699 -7.373 772 HE2 LYS 103 1HE LYS 103 -4.060 20.779 -9.209 773 HE3 LYS 103 2HE LYS 103 -5.443 20.850 -8.118 774 HZ1 LYS 103 1HZ LYS 103 -5.440 22.417 -10.069 775 HZ2 LYS 103 2HZ LYS 103 -4.257 23.286 -9.303 776 HZ3 LYS 103 3HZ LYS 103 -5.747 23.113 -8.609 777 H ASP 104 H ASP 104 0.973 17.908 -9.084 778 HA ASP 104 HA ASP 104 2.020 17.743 -6.465 779 HB2 ASP 104 1HB ASP 104 3.691 16.294 -7.443 780 HB3 ASP 104 2HB ASP 104 2.143 15.973 -8.237 781 H HIS 105 H HIS 105 2.881 19.680 -9.243 782 HA HIS 105 HA HIS 105 5.503 20.436 -8.568 783 HB2 HIS 105 1HB HIS 105 5.263 22.157 -10.172 784 HB3 HIS 105 2HB HIS 105 4.236 20.834 -10.734 785 HD1 HIS 105 HD1 HIS 105 4.136 24.387 -9.449 786 HD2 HIS 105 HD2 HIS 105 1.427 21.415 -10.639 787 HE1 HIS 105 HE1 HIS 105 1.863 25.519 -9.734 788 H ILE 106 H ILE 106 2.652 21.300 -6.841 789 HA ILE 106 HA ILE 106 3.806 23.851 -5.904 790 HB ILE 106 HB ILE 106 1.311 22.385 -4.908 791 HG12 ILE 106 1HG1 ILE 106 1.588 24.616 -6.964 792 HG13 ILE 106 2HG1 ILE 106 1.214 22.934 -7.333 793 HG21 ILE 106 1HG2 ILE 106 0.702 24.660 -4.010 794 HG22 ILE 106 2HG2 ILE 106 2.250 25.308 -4.595 795 HG23 ILE 106 3HG2 ILE 106 2.214 24.089 -3.305 796 HD11 ILE 106 1HD1 ILE 106 -0.812 24.102 -7.409 797 HD12 ILE 106 2HD1 ILE 106 -0.507 24.911 -5.860 798 HD13 ILE 106 3HD1 ILE 106 -0.838 23.159 -5.904 799 H GLY 107 H GLY 107 3.528 20.457 -4.925 800 HA2 GLY 107 1HA GLY 107 4.238 20.954 -2.153 801 HA3 GLY 107 2HA GLY 107 4.159 19.390 -2.968 802 H THR 108 H THR 108 6.147 21.652 -4.570 803 HA THR 108 HA THR 108 8.527 20.087 -3.929 804 HB THR 108 HB THR 108 7.931 20.891 -6.259 805 HG1 THR 108 HG1 THR 108 10.402 21.655 -5.078 806 HG21 THR 108 1HG2 THR 108 7.204 23.225 -5.547 807 HG22 THR 108 2HG2 THR 108 8.334 23.170 -6.913 808 HG23 THR 108 3HG2 THR 108 8.924 23.608 -5.298 809 H ARG 109 H ARG 109 7.170 22.247 -1.986 810 HA ARG 109 HA ARG 109 9.130 24.289 -1.590 811 HB2 ARG 109 1HB ARG 109 6.896 24.241 -0.411 812 HB3 ARG 109 2HB ARG 109 7.488 22.888 0.563 813 HG2 ARG 109 1HG ARG 109 9.399 24.414 1.318 814 HG3 ARG 109 2HG ARG 109 8.551 25.743 0.526 815 HD2 ARG 109 1HD ARG 109 8.058 25.766 2.898 816 HD3 ARG 109 2HD ARG 109 6.599 25.338 2.004 817 HE ARG 109 HE ARG 109 6.588 23.249 2.991 818 HH11 ARG 109 1HH1 ARG 109 9.745 24.726 3.723 819 HH12 ARG 109 2HH1 ARG 109 10.110 23.493 4.892 820 HH21 ARG 109 1HH2 ARG 109 7.135 21.796 4.491 821 HH22 ARG 109 2HH2 ARG 109 8.683 21.855 5.310 822 H ASN 110 H ASN 110 11.221 24.112 -1.002 823 HA ASN 110 HA ASN 110 12.081 21.462 0.026 824 HB2 ASN 110 1HB ASN 110 13.228 23.368 -1.773 825 HB3 ASN 110 2HB ASN 110 14.256 23.245 -0.333 826 HD21 ASN 110 1HD2 ASN 110 14.587 20.462 -3.086 827 HD22 ASN 110 2HD2 ASN 110 13.889 22.042 -3.331 828 HA PRO 111 HA PRO 111 12.203 23.512 3.959 829 HB2 PRO 111 1HB PRO 111 13.490 21.631 5.465 830 HB3 PRO 111 2HB PRO 111 11.799 21.424 4.900 831 HG2 PRO 111 1HG PRO 111 14.337 20.362 3.679 832 HG3 PRO 111 2HG PRO 111 12.825 19.485 4.084 833 HD2 PRO 111 1HD PRO 111 13.316 20.359 1.580 834 HD3 PRO 111 2HD PRO 111 11.672 20.431 2.256 835 H ALA 112 H ALA 112 14.994 22.545 2.142 836 HA ALA 112 HA ALA 112 16.963 23.753 3.900 837 HB1 ALA 112 1HB ALA 112 17.555 21.950 2.301 838 HB2 ALA 112 2HB ALA 112 18.469 23.436 1.951 839 HB3 ALA 112 3HB ALA 112 17.078 22.994 0.936 840 H ASN 113 H ASN 113 14.769 24.844 1.409 841 HA ASN 113 HA ASN 113 16.288 27.381 1.087 842 HB2 ASN 113 1HB ASN 113 14.013 26.204 -0.551 843 HB3 ASN 113 2HB ASN 113 14.871 27.709 -0.905 844 HD21 ASN 113 1HD2 ASN 113 16.241 24.770 -2.842 845 HD22 ASN 113 2HD2 ASN 113 14.610 25.316 -2.534 846 H ASN 114 H ASN 114 13.217 26.116 2.310 847 HA ASN 114 HA ASN 114 12.542 28.825 3.260 848 HB2 ASN 114 1HB ASN 114 11.518 28.868 1.094 849 HB3 ASN 114 2HB ASN 114 10.799 27.260 1.339 850 HD21 ASN 114 1HD2 ASN 114 7.999 28.484 2.917 851 HD22 ASN 114 2HD2 ASN 114 8.796 27.268 1.947 852 H ALA 115 H ALA 115 11.069 28.912 4.928 853 HA ALA 115 HA ALA 115 10.719 26.368 6.393 854 HB1 ALA 115 1HB ALA 115 11.640 28.342 7.568 855 HB2 ALA 115 2HB ALA 115 10.086 27.839 8.274 856 HB3 ALA 115 3HB ALA 115 10.154 29.254 7.200 857 H ALA 116 H ALA 116 8.713 25.657 7.185 858 HA ALA 116 HA ALA 116 6.479 25.998 5.418 859 HB1 ALA 116 1HB ALA 116 6.970 23.871 6.625 860 HB2 ALA 116 2HB ALA 116 5.323 24.460 6.927 861 HB3 ALA 116 3HB ALA 116 6.581 24.678 8.164 862 H ILE 117 H ILE 117 4.520 26.947 5.736 863 HA ILE 117 HA ILE 117 4.486 29.344 7.422 864 HB ILE 117 HB ILE 117 2.378 28.119 5.598 865 HG12 ILE 117 1HG1 ILE 117 4.035 30.497 4.816 866 HG13 ILE 117 2HG1 ILE 117 4.726 28.889 4.641 867 HG21 ILE 117 1HG2 ILE 117 1.381 29.764 7.140 868 HG22 ILE 117 2HG2 ILE 117 1.435 30.437 5.505 869 HG23 ILE 117 3HG2 ILE 117 2.636 30.952 6.712 870 HD11 ILE 117 1HD1 ILE 117 3.685 29.600 2.561 871 HD12 ILE 117 2HD1 ILE 117 2.126 29.803 3.392 872 HD13 ILE 117 3HD1 ILE 117 2.849 28.180 3.238 873 H VAL 118 H VAL 118 3.203 29.565 9.361 874 HA VAL 118 HA VAL 118 2.234 27.228 10.723 875 HB VAL 118 HB VAL 118 1.416 30.170 11.045 876 HG11 VAL 118 1HG1 VAL 118 0.686 29.510 13.314 877 HG12 VAL 118 2HG1 VAL 118 1.036 27.810 12.942 878 HG13 VAL 118 3HG1 VAL 118 -0.252 28.670 12.064 879 HG21 VAL 118 1HG2 VAL 118 3.011 30.111 12.986 880 HG22 VAL 118 2HG2 VAL 118 3.812 29.891 11.419 881 HG23 VAL 118 3HG2 VAL 118 3.524 28.487 12.472 882 H LEU 119 H LEU 119 0.473 26.033 10.281 883 HA LEU 119 HA LEU 119 -1.202 26.709 8.050 884 HB2 LEU 119 1HB LEU 119 -0.528 24.422 8.889 885 HB3 LEU 119 2HB LEU 119 -1.716 24.596 10.169 886 HG LEU 119 HG LEU 119 -2.547 24.862 7.264 887 HD11 LEU 119 1HD1 LEU 119 -2.922 22.453 7.163 888 HD12 LEU 119 2HD1 LEU 119 -2.212 22.250 8.785 889 HD13 LEU 119 3HD1 LEU 119 -1.207 22.799 7.435 890 HD21 LEU 119 1HD2 LEU 119 -4.319 25.381 8.789 891 HD22 LEU 119 2HD2 LEU 119 -3.910 24.026 9.852 892 HD23 LEU 119 3HD2 LEU 119 -4.633 23.723 8.261 893 H GLN 120 H GLN 120 -3.047 27.774 7.932 894 HA GLN 120 HA GLN 120 -4.580 28.401 10.423 895 HB2 GLN 120 1HB GLN 120 -3.820 30.246 8.139 896 HB3 GLN 120 2HB GLN 120 -4.999 30.648 9.395 897 HG2 GLN 120 1HG GLN 120 -3.379 30.887 11.029 898 HG3 GLN 120 2HG GLN 120 -2.223 29.863 10.180 899 HE21 GLN 120 1HE2 GLN 120 -0.794 32.434 8.306 900 HE22 GLN 120 2HE2 GLN 120 -0.892 30.710 8.615 901 H LEU 121 H LEU 121 -6.846 28.844 9.925 902 HA LEU 121 HA LEU 121 -7.698 27.586 7.349 903 HB2 LEU 121 1HB LEU 121 -8.845 27.574 10.137 904 HB3 LEU 121 2HB LEU 121 -9.934 27.477 8.766 905 HG LEU 121 HG LEU 121 -7.736 25.479 9.369 906 HD11 LEU 121 1HD1 LEU 121 -9.706 24.027 9.933 907 HD12 LEU 121 2HD1 LEU 121 -10.755 25.448 9.754 908 HD13 LEU 121 3HD1 LEU 121 -9.516 25.417 11.023 909 HD21 LEU 121 1HD2 LEU 121 -8.202 25.512 6.964 910 HD22 LEU 121 2HD2 LEU 121 -9.952 25.490 7.260 911 HD23 LEU 121 3HD2 LEU 121 -8.954 24.074 7.669 912 HA PRO 122 HA PRO 122 -9.351 31.535 6.447 913 HB2 PRO 122 1HB PRO 122 -11.256 30.968 4.599 914 HB3 PRO 122 2HB PRO 122 -9.499 30.712 4.264 915 HG2 PRO 122 1HG PRO 122 -11.572 28.733 5.190 916 HG3 PRO 122 2HG PRO 122 -10.441 28.611 3.803 917 HD2 PRO 122 1HD PRO 122 -9.894 27.476 6.177 918 HD3 PRO 122 2HD PRO 122 -8.603 28.231 5.181 919 H GLN 123 H GLN 123 -11.374 32.822 6.387 920 HA GLN 123 HA GLN 123 -12.862 32.584 8.755 921 HB2 GLN 123 1HB GLN 123 -12.606 34.644 7.363 922 HB3 GLN 123 2HB GLN 123 -13.656 33.928 6.137 923 HG2 GLN 123 1HG GLN 123 -15.524 33.891 7.742 924 HG3 GLN 123 2HG GLN 123 -14.475 34.600 8.983 925 HE21 GLN 123 1HE2 GLN 123 -16.418 36.971 6.433 926 HE22 GLN 123 2HE2 GLN 123 -16.763 35.275 6.664 927 H GLY 124 H GLY 124 -14.614 31.457 9.349 928 HA2 GLY 124 1HA GLY 124 -16.729 30.443 8.950 929 HA3 GLY 124 2HA GLY 124 -16.296 30.200 7.254 930 H THR 125 H THR 125 -13.516 29.134 8.230 931 HA THR 125 HA THR 125 -14.613 26.433 8.904 932 HB THR 125 HB THR 125 -11.837 26.958 7.817 933 HG1 THR 125 HG1 THR 125 -13.417 27.826 6.379 934 HG21 THR 125 1HG2 THR 125 -13.722 24.577 7.529 935 HG22 THR 125 2HG2 THR 125 -12.490 24.688 8.798 936 HG23 THR 125 3HG2 THR 125 -12.007 24.656 7.097 937 H THR 126 H THR 126 -14.216 25.539 10.790 938 HA THR 126 HA THR 126 -12.048 26.679 12.493 939 HB THR 126 HB THR 126 -13.573 25.850 14.404 940 HG1 THR 126 HG1 THR 126 -15.785 25.769 13.800 941 HG21 THR 126 1HG2 THR 126 -14.862 27.918 14.414 942 HG22 THR 126 2HG2 THR 126 -14.558 28.149 12.676 943 HG23 THR 126 3HG2 THR 126 -13.210 28.233 13.839 944 H LEU 127 H LEU 127 -10.896 25.246 13.769 945 HA LEU 127 HA LEU 127 -10.563 22.607 12.636 946 HB2 LEU 127 1HB LEU 127 -9.554 23.775 15.236 947 HB3 LEU 127 2HB LEU 127 -9.028 22.253 14.569 948 HG LEU 127 HG LEU 127 -8.577 24.930 13.220 949 HD11 LEU 127 1HD1 LEU 127 -6.246 24.698 13.974 950 HD12 LEU 127 2HD1 LEU 127 -6.668 23.209 14.854 951 HD13 LEU 127 3HD1 LEU 127 -7.356 24.768 15.361 952 HD21 LEU 127 1HD2 LEU 127 -7.011 23.675 11.819 953 HD22 LEU 127 2HD2 LEU 127 -8.626 22.967 11.696 954 HD23 LEU 127 3HD2 LEU 127 -7.391 22.173 12.696 955 HA PRO 128 HA PRO 128 -13.530 20.617 15.219 956 HB2 PRO 128 1HB PRO 128 -12.755 18.016 15.119 957 HB3 PRO 128 2HB PRO 128 -13.355 18.879 13.667 958 HG2 PRO 128 1HG PRO 128 -10.560 18.295 14.507 959 HG3 PRO 128 2HG PRO 128 -11.323 18.121 12.904 960 HD2 PRO 128 1HD PRO 128 -9.764 20.274 13.675 961 HD3 PRO 128 2HD PRO 128 -11.033 20.381 12.420 962 H LYS 129 H LYS 129 -13.668 19.097 17.191 963 HA LYS 129 HA LYS 129 -12.294 20.267 19.334 964 HB2 LYS 129 1HB LYS 129 -14.418 18.997 19.494 965 HB3 LYS 129 2HB LYS 129 -13.551 17.498 19.161 966 HG2 LYS 129 1HG LYS 129 -12.569 19.104 21.487 967 HG3 LYS 129 2HG LYS 129 -14.169 18.373 21.665 968 HD2 LYS 129 1HD LYS 129 -11.753 16.750 20.780 969 HD3 LYS 129 2HD LYS 129 -12.150 16.996 22.487 970 HE2 LYS 129 1HE LYS 129 -14.316 15.929 22.197 971 HE3 LYS 129 2HE LYS 129 -14.062 15.801 20.442 972 HZ1 LYS 129 1HZ LYS 129 -13.571 13.756 21.756 973 HZ2 LYS 129 2HZ LYS 129 -12.243 14.518 22.379 974 HZ3 LYS 129 3HZ LYS 129 -12.371 14.240 20.750 975 H GLY 130 H GLY 130 -10.376 20.055 20.235 976 HA2 GLY 130 1HA GLY 130 -8.579 18.861 21.135 977 HA3 GLY 130 2HA GLY 130 -8.954 17.489 20.095 978 H PHE 131 H PHE 131 -8.935 19.975 17.933 979 HA PHE 131 HA PHE 131 -6.156 19.365 17.261 980 HB2 PHE 131 1HB PHE 131 -8.627 20.006 15.795 981 HB3 PHE 131 2HB PHE 131 -7.180 20.812 15.186 982 HD1 PHE 131 HD1 PHE 131 -5.256 19.530 14.391 983 HD2 PHE 131 HD2 PHE 131 -8.899 17.602 15.570 984 HE1 PHE 131 HE1 PHE 131 -4.550 17.472 13.170 985 HE2 PHE 131 HE2 PHE 131 -8.217 15.553 14.342 986 HZ PHE 131 HZ PHE 131 -6.038 15.490 13.142 987 H TYR 132 H TYR 132 -4.665 20.743 16.955 988 HA TYR 132 HA TYR 132 -5.196 23.654 16.972 989 HB2 TYR 132 1HB TYR 132 -3.477 24.160 18.560 990 HB3 TYR 132 2HB TYR 132 -4.592 23.027 19.322 991 HD1 TYR 132 HD1 TYR 132 -1.159 23.558 18.086 992 HD2 TYR 132 HD2 TYR 132 -3.863 20.667 19.787 993 HE1 TYR 132 HE1 TYR 132 0.774 22.101 18.688 994 HE2 TYR 132 HE2 TYR 132 -1.923 19.231 20.408 995 HH TYR 132 HH TYR 132 0.353 18.964 20.330 996 H ALA 133 H ALA 133 -3.158 24.811 16.177 997 HA ALA 133 HA ALA 133 -1.955 23.136 14.029 998 HB1 ALA 133 1HB ALA 133 -3.248 25.140 13.315 999 HB2 ALA 133 2HB ALA 133 -1.527 25.282 12.891 1000 HB3 ALA 133 3HB ALA 133 -2.171 26.168 14.290 1001 H GLU 134 H GLU 134 0.281 23.034 13.724 1002 HA GLU 134 HA GLU 134 1.874 23.572 16.101 1003 HB2 GLU 134 1HB GLU 134 2.436 21.699 14.662 1004 HB3 GLU 134 2HB GLU 134 2.597 22.755 13.276 1005 HG2 GLU 134 1HG GLU 134 4.796 22.191 13.973 1006 HG3 GLU 134 2HG GLU 134 4.536 23.880 14.430 1007 H GLY 135 H GLY 135 3.154 25.315 16.527 1008 HA2 GLY 135 1HA GLY 135 4.297 27.315 16.006 1009 HA3 GLY 135 2HA GLY 135 3.507 27.370 14.427 1010 H SER 136 H SER 136 0.948 26.740 16.350 1011 HA SER 136 HA SER 136 0.647 29.542 17.330 1012 HB2 SER 136 1HB SER 136 -0.464 29.391 15.129 1013 HB3 SER 136 2HB SER 136 -1.439 28.029 15.721 1014 HG SER 136 HG SER 136 -2.490 30.100 15.875 1015 H ARG 137 H ARG 137 -0.204 29.687 19.309 1016 HA ARG 137 HA ARG 137 -1.837 27.442 20.366 1017 HB2 ARG 137 1HB ARG 137 0.790 28.423 21.516 1018 HB3 ARG 137 2HB ARG 137 -0.451 27.729 22.559 1019 HG2 ARG 137 1HG ARG 137 0.875 26.292 20.231 1020 HG3 ARG 137 2HG ARG 137 1.251 26.080 21.950 1021 HD2 ARG 137 1HD ARG 137 -1.231 25.484 22.270 1022 HD3 ARG 137 2HD ARG 137 -1.319 25.371 20.504 1023 HE ARG 137 HE ARG 137 -0.048 23.424 20.543 1024 HH11 ARG 137 1HH1 ARG 137 -0.177 24.772 23.808 1025 HH12 ARG 137 2HH1 ARG 137 0.488 23.332 24.530 1026 HH21 ARG 137 1HH2 ARG 137 0.798 21.625 21.534 1027 HH22 ARG 137 2HH2 ARG 137 1.028 21.585 23.264 1028 H GLY 138 H GLY 138 -0.485 30.689 21.041 1029 HA2 GLY 138 1HA GLY 138 -1.666 32.525 21.892 1030 HA3 GLY 138 2HA GLY 138 -3.091 31.488 22.136 1031 H GLY 139 H GLY 139 -2.826 32.928 24.260 1032 HA2 GLY 139 1HA GLY 139 -2.336 31.302 26.442 1033 HA3 GLY 139 2HA GLY 139 -0.777 32.111 26.117 1034 H SER 140 H SER 140 -1.265 33.174 28.258 1035 HA SER 140 HA SER 140 -3.189 35.442 27.992 1036 HB2 SER 140 1HB SER 140 -2.841 35.631 30.460 1037 HB3 SER 140 2HB SER 140 -3.495 34.039 29.998 1038 HG SER 140 HG SER 140 -0.713 34.520 30.224 Start of MODEL 24 1 H1 GLY 1 1H GLY 1 7.151 -2.403 -4.549 2 H2 GLY 1 2H GLY 1 7.897 -1.069 -3.924 3 H3 GLY 1 3H GLY 1 8.574 -2.558 -3.725 4 HA2 GLY 1 1HA GLY 1 8.945 -2.772 -6.085 5 HA3 GLY 1 2HA GLY 1 8.227 -1.161 -6.292 6 H ALA 2 H ALA 2 10.416 -0.708 -7.327 7 HA ALA 2 HA ALA 2 12.645 -0.446 -5.413 8 HB1 ALA 2 1HB ALA 2 13.069 -1.178 -7.760 9 HB2 ALA 2 2HB ALA 2 13.893 0.353 -7.392 10 HB3 ALA 2 3HB ALA 2 12.399 0.364 -8.355 11 H MET 3 H MET 3 10.586 0.967 -4.405 12 HA MET 3 HA MET 3 11.391 3.742 -4.478 13 HB2 MET 3 1HB MET 3 9.476 2.925 -6.392 14 HB3 MET 3 2HB MET 3 8.514 3.525 -5.044 15 HG2 MET 3 1HG MET 3 10.740 5.073 -6.410 16 HG3 MET 3 2HG MET 3 9.015 5.238 -6.779 17 HE1 MET 3 1HE MET 3 9.370 8.571 -4.904 18 HE2 MET 3 2HE MET 3 8.605 7.703 -6.256 19 HE3 MET 3 3HE MET 3 10.376 7.857 -6.183 20 H GLY 4 H GLY 4 9.580 4.779 -2.945 21 HA2 GLY 4 1HA GLY 4 7.875 3.573 -1.255 22 HA3 GLY 4 2HA GLY 4 9.421 2.948 -0.646 23 H LEU 5 H LEU 5 10.857 5.391 -1.375 24 HA LEU 5 HA LEU 5 9.864 7.163 0.814 25 HB2 LEU 5 1HB LEU 5 12.648 6.842 -0.355 26 HB3 LEU 5 2HB LEU 5 12.202 7.982 0.904 27 HG LEU 5 HG LEU 5 12.089 4.957 1.185 28 HD11 LEU 5 1HD1 LEU 5 14.081 5.233 2.603 29 HD12 LEU 5 2HD1 LEU 5 14.101 6.979 2.254 30 HD13 LEU 5 3HD1 LEU 5 14.390 5.803 0.950 31 HD21 LEU 5 1HD2 LEU 5 11.860 5.459 3.617 32 HD22 LEU 5 2HD2 LEU 5 10.476 6.037 2.671 33 HD23 LEU 5 3HD2 LEU 5 11.715 7.189 3.229 34 HA PRO 6 HA PRO 6 9.129 9.829 -2.612 35 HB2 PRO 6 1HB PRO 6 8.686 12.223 -1.408 36 HB3 PRO 6 2HB PRO 6 7.529 10.861 -1.250 37 HG2 PRO 6 1HG PRO 6 9.713 11.721 0.640 38 HG3 PRO 6 2HG PRO 6 7.983 11.401 0.990 39 HD2 PRO 6 1HD PRO 6 9.903 9.527 1.411 40 HD3 PRO 6 2HD PRO 6 8.263 9.076 0.823 41 H ASN 7 H ASN 7 10.121 11.465 -3.886 42 HA ASN 7 HA ASN 7 12.959 11.697 -3.530 43 HB2 ASN 7 1HB ASN 7 11.110 13.321 -5.327 44 HB3 ASN 7 2HB ASN 7 12.860 13.134 -5.518 45 HD21 ASN 7 1HD2 ASN 7 12.630 10.047 -7.152 46 HD22 ASN 7 2HD2 ASN 7 13.663 11.271 -6.457 47 H ASN 8 H ASN 8 10.226 13.785 -2.763 48 HA ASN 8 HA ASN 8 11.787 15.345 -0.895 49 HB2 ASN 8 1HB ASN 8 12.488 16.546 -2.916 50 HB3 ASN 8 2HB ASN 8 10.814 16.724 -3.440 51 HD21 ASN 8 1HD2 ASN 8 10.679 19.837 -1.901 52 HD22 ASN 8 2HD2 ASN 8 10.444 18.856 -3.332 53 H THR 9 H THR 9 9.046 16.383 -2.901 54 HA THR 9 HA THR 9 6.993 17.179 -2.265 55 HB THR 9 HB THR 9 5.480 15.422 -1.470 56 HG1 THR 9 HG1 THR 9 7.228 14.338 -0.253 57 HG21 THR 9 1HG2 THR 9 5.996 15.687 -3.877 58 HG22 THR 9 2HG2 THR 9 5.728 13.987 -3.441 59 HG23 THR 9 3HG2 THR 9 7.379 14.577 -3.694 60 H ALA 10 H ALA 10 7.781 18.697 -0.701 61 HA ALA 10 HA ALA 10 7.223 17.914 2.118 62 HB1 ALA 10 1HB ALA 10 8.496 19.888 2.744 63 HB2 ALA 10 2HB ALA 10 8.597 20.411 1.048 64 HB3 ALA 10 3HB ALA 10 9.444 18.939 1.578 65 H SER 11 H SER 11 5.473 18.682 3.168 66 HA SER 11 HA SER 11 3.429 20.123 1.765 67 HB2 SER 11 1HB SER 11 2.402 20.322 4.047 68 HB3 SER 11 2HB SER 11 2.878 18.664 3.638 69 HG SER 11 HG SER 11 4.001 20.444 5.490 70 H TRP 12 H TRP 12 2.873 22.276 1.818 71 HA TRP 12 HA TRP 12 4.947 24.186 2.343 72 HB2 TRP 12 1HB TRP 12 2.181 24.270 1.346 73 HB3 TRP 12 2HB TRP 12 2.726 25.729 2.186 74 HD1 TRP 12 HD1 TRP 12 3.027 23.991 -1.093 75 HE1 TRP 12 HE1 TRP 12 4.657 25.135 -2.656 76 HE3 TRP 12 HE3 TRP 12 5.162 27.117 2.333 77 HZ2 TRP 12 HZ2 TRP 12 6.640 27.177 -2.465 78 HZ3 TRP 12 HZ3 TRP 12 7.003 28.651 1.571 79 HH2 TRP 12 HH2 TRP 12 7.710 28.679 -0.818 80 H PHE 13 H PHE 13 2.590 22.770 4.381 81 HA PHE 13 HA PHE 13 2.839 25.050 6.265 82 HB2 PHE 13 1HB PHE 13 0.545 23.093 6.009 83 HB3 PHE 13 2HB PHE 13 0.591 24.568 6.983 84 HD1 PHE 13 HD1 PHE 13 0.698 26.804 5.807 85 HD2 PHE 13 HD2 PHE 13 -0.135 23.122 3.748 86 HE1 PHE 13 HE1 PHE 13 -0.211 28.086 3.886 87 HE2 PHE 13 HE2 PHE 13 -1.072 24.397 1.833 88 HZ PHE 13 HZ PHE 13 -1.091 26.879 1.903 89 H THR 14 H THR 14 2.521 24.636 8.464 90 HA THR 14 HA THR 14 4.084 22.412 9.446 91 HB THR 14 HB THR 14 3.443 23.326 11.676 92 HG1 THR 14 HG1 THR 14 2.040 25.043 11.800 93 HG21 THR 14 1HG2 THR 14 4.244 25.492 9.697 94 HG22 THR 14 2HG2 THR 14 5.348 24.342 10.482 95 HG23 THR 14 3HG2 THR 14 4.470 25.539 11.457 96 H ALA 15 H ALA 15 3.220 21.049 11.278 97 HA ALA 15 HA ALA 15 0.929 19.627 10.226 98 HB1 ALA 15 1HB ALA 15 3.086 18.659 11.224 99 HB2 ALA 15 2HB ALA 15 1.550 17.915 11.697 100 HB3 ALA 15 3HB ALA 15 2.379 19.031 12.810 101 H LEU 16 H LEU 16 -1.121 19.687 10.864 102 HA LEU 16 HA LEU 16 -1.971 21.254 13.201 103 HB2 LEU 16 1HB LEU 16 -3.293 19.341 11.246 104 HB3 LEU 16 2HB LEU 16 -4.098 19.823 12.720 105 HG LEU 16 HG LEU 16 -3.295 21.683 10.504 106 HD11 LEU 16 1HD1 LEU 16 -5.725 21.863 10.155 107 HD12 LEU 16 2HD1 LEU 16 -6.014 20.711 11.481 108 HD13 LEU 16 3HD1 LEU 16 -5.198 20.176 9.995 109 HD21 LEU 16 1HD2 LEU 16 -4.668 23.338 11.831 110 HD22 LEU 16 2HD2 LEU 16 -3.131 22.888 12.580 111 HD23 LEU 16 3HD2 LEU 16 -4.653 22.183 13.180 112 H THR 17 H THR 17 -2.612 20.275 15.210 113 HA THR 17 HA THR 17 -1.686 17.438 15.504 114 HB THR 17 HB THR 17 -1.318 19.704 17.487 115 HG1 THR 17 HG1 THR 17 -0.084 19.889 15.512 116 HG21 THR 17 1HG2 THR 17 -1.350 17.554 18.559 117 HG22 THR 17 2HG2 THR 17 0.333 18.112 18.455 118 HG23 THR 17 3HG2 THR 17 -0.257 16.867 17.325 119 H GLN 18 H GLN 18 -2.991 16.126 16.686 120 HA GLN 18 HA GLN 18 -5.573 17.353 17.563 121 HB2 GLN 18 1HB GLN 18 -5.771 15.849 15.676 122 HB3 GLN 18 2HB GLN 18 -4.823 14.626 16.475 123 HG2 GLN 18 1HG GLN 18 -7.137 13.949 16.454 124 HG3 GLN 18 2HG GLN 18 -6.647 14.255 18.115 125 HE21 GLN 18 1HE2 GLN 18 -9.981 15.865 16.962 126 HE22 GLN 18 2HE2 GLN 18 -9.243 14.360 16.426 127 H HIS 19 H HIS 19 -6.410 17.012 19.511 128 HA HIS 19 HA HIS 19 -5.272 14.796 21.174 129 HB2 HIS 19 1HB HIS 19 -4.418 16.970 22.025 130 HB3 HIS 19 2HB HIS 19 -6.076 17.572 22.133 131 HD1 HIS 19 HD1 HIS 19 -3.642 15.264 23.868 132 HD2 HIS 19 HD2 HIS 19 -7.579 16.566 24.265 133 HE1 HIS 19 HE1 HIS 19 -4.430 14.532 26.159 134 H GLY 20 H GLY 20 -6.954 13.383 20.799 135 HA2 GLY 20 1HA GLY 20 -9.413 13.685 22.123 136 HA3 GLY 20 2HA GLY 20 -9.663 14.201 20.436 137 H LYS 21 H LYS 21 -11.126 12.166 20.633 138 HA LYS 21 HA LYS 21 -9.537 9.673 20.234 139 HB2 LYS 21 1HB LYS 21 -12.496 10.155 20.705 140 HB3 LYS 21 2HB LYS 21 -11.812 8.589 20.256 141 HG2 LYS 21 1HG LYS 21 -10.324 8.720 22.273 142 HG3 LYS 21 2HG LYS 21 -11.209 10.175 22.773 143 HD2 LYS 21 1HD LYS 21 -13.309 8.867 22.827 144 HD3 LYS 21 2HD LYS 21 -12.418 7.423 22.300 145 HE2 LYS 21 1HE LYS 21 -10.991 7.593 24.341 146 HE3 LYS 21 2HE LYS 21 -11.971 8.969 24.887 147 HZ1 LYS 21 1HZ LYS 21 -12.704 6.896 25.894 148 HZ2 LYS 21 2HZ LYS 21 -12.982 6.219 24.417 149 HZ3 LYS 21 3HZ LYS 21 -13.898 7.493 24.925 150 H GLU 22 H GLU 22 -11.465 12.001 18.499 151 HA GLU 22 HA GLU 22 -11.630 10.310 16.095 152 HB2 GLU 22 1HB GLU 22 -12.448 12.447 15.034 153 HB3 GLU 22 2HB GLU 22 -13.428 11.840 16.351 154 HG2 GLU 22 1HG GLU 22 -12.244 13.504 17.885 155 HG3 GLU 22 2HG GLU 22 -11.518 14.190 16.425 156 H ASP 23 H ASP 23 -10.510 10.997 14.126 157 HA ASP 23 HA ASP 23 -7.766 11.821 14.881 158 HB2 ASP 23 1HB ASP 23 -8.782 9.887 13.104 159 HB3 ASP 23 2HB ASP 23 -8.046 11.114 12.101 160 H LEU 24 H LEU 24 -9.850 12.526 12.013 161 HA LEU 24 HA LEU 24 -9.705 15.375 12.395 162 HB2 LEU 24 1HB LEU 24 -7.406 15.069 11.507 163 HB3 LEU 24 2HB LEU 24 -8.044 14.178 10.138 164 HG LEU 24 HG LEU 24 -9.106 16.170 9.249 165 HD11 LEU 24 1HD1 LEU 24 -8.921 18.372 10.174 166 HD12 LEU 24 2HD1 LEU 24 -7.900 17.804 11.506 167 HD13 LEU 24 3HD1 LEU 24 -9.606 17.342 11.432 168 HD21 LEU 24 1HD2 LEU 24 -7.095 17.490 8.747 169 HD22 LEU 24 2HD2 LEU 24 -6.779 15.745 8.678 170 HD23 LEU 24 3HD2 LEU 24 -6.240 16.687 10.085 171 H LYS 25 H LYS 25 -11.396 16.285 11.221 172 HA LYS 25 HA LYS 25 -12.321 14.959 8.781 173 HB2 LYS 25 1HB LYS 25 -13.438 13.880 10.896 174 HB3 LYS 25 2HB LYS 25 -14.363 15.378 10.999 175 HG2 LYS 25 1HG LYS 25 -14.265 13.797 8.424 176 HG3 LYS 25 2HG LYS 25 -15.333 13.288 9.741 177 HD2 LYS 25 1HD LYS 25 -16.497 15.418 9.705 178 HD3 LYS 25 2HD LYS 25 -15.356 16.054 8.512 179 HE2 LYS 25 1HE LYS 25 -16.054 14.137 6.990 180 HE3 LYS 25 2HE LYS 25 -17.403 13.868 8.121 181 HZ1 LYS 25 1HZ LYS 25 -18.033 15.354 6.323 182 HZ2 LYS 25 2HZ LYS 25 -16.800 16.396 6.683 183 HZ3 LYS 25 3HZ LYS 25 -18.049 16.187 7.748 184 H PHE 26 H PHE 26 -12.895 16.526 7.378 185 HA PHE 26 HA PHE 26 -13.655 19.194 8.508 186 HB2 PHE 26 1HB PHE 26 -11.850 18.408 6.237 187 HB3 PHE 26 2HB PHE 26 -12.752 19.919 6.122 188 HD1 PHE 26 HD1 PHE 26 -12.719 21.045 8.808 189 HD2 PHE 26 HD2 PHE 26 -9.568 18.969 6.701 190 HE1 PHE 26 HE1 PHE 26 -11.030 22.195 10.205 191 HE2 PHE 26 HE2 PHE 26 -7.897 20.086 8.155 192 HZ PHE 26 HZ PHE 26 -8.604 21.706 9.885 193 HA PRO 27 HA PRO 27 -17.454 18.915 6.318 194 HB2 PRO 27 1HB PRO 27 -17.914 21.486 5.459 195 HB3 PRO 27 2HB PRO 27 -17.947 21.014 7.188 196 HG2 PRO 27 1HG PRO 27 -15.727 22.194 5.606 197 HG3 PRO 27 2HG PRO 27 -16.416 22.739 7.159 198 HD2 PRO 27 1HD PRO 27 -14.187 21.279 7.042 199 HD3 PRO 27 2HD PRO 27 -15.409 20.993 8.329 200 H ARG 28 H ARG 28 -18.650 19.437 4.188 201 HA ARG 28 HA ARG 28 -16.950 18.596 1.965 202 HB2 ARG 28 1HB ARG 28 -19.359 17.854 2.373 203 HB3 ARG 28 2HB ARG 28 -19.856 19.488 1.931 204 HG2 ARG 28 1HG ARG 28 -20.170 18.255 -0.034 205 HG3 ARG 28 2HG ARG 28 -18.624 19.074 -0.302 206 HD2 ARG 28 1HD ARG 28 -17.684 17.078 -0.688 207 HD3 ARG 28 2HD ARG 28 -18.004 16.628 0.998 208 HE ARG 28 HE ARG 28 -20.383 16.268 -0.523 209 HH11 ARG 28 1HH1 ARG 28 -17.202 14.768 -0.197 210 HH12 ARG 28 2HH1 ARG 28 -17.784 13.209 -0.711 211 HH21 ARG 28 1HH2 ARG 28 -21.052 14.246 -1.160 212 HH22 ARG 28 2HH2 ARG 28 -19.927 12.919 -1.233 213 H GLY 29 H GLY 29 -16.074 19.904 0.424 214 HA2 GLY 29 1HA GLY 29 -15.730 21.747 -0.916 215 HA3 GLY 29 2HA GLY 29 -17.317 22.340 -0.422 216 H GLN 30 H GLN 30 -15.186 21.744 2.206 217 HA GLN 30 HA GLN 30 -13.993 24.425 2.249 218 HB2 GLN 30 1HB GLN 30 -16.297 24.873 2.971 219 HB3 GLN 30 2HB GLN 30 -16.255 23.498 4.061 220 HG2 GLN 30 1HG GLN 30 -14.431 24.729 5.324 221 HG3 GLN 30 2HG GLN 30 -14.849 26.144 4.349 222 HE21 GLN 30 1HE2 GLN 30 -16.752 26.348 7.491 223 HE22 GLN 30 2HE2 GLN 30 -15.061 26.339 7.000 224 H GLY 31 H GLY 31 -12.207 24.353 3.841 225 HA2 GLY 31 1HA GLY 31 -11.723 23.080 6.041 226 HA3 GLY 31 2HA GLY 31 -11.851 21.634 5.036 227 H VAL 32 H VAL 32 -10.631 23.409 2.790 228 HA VAL 32 HA VAL 32 -7.922 22.574 3.303 229 HB VAL 32 HB VAL 32 -7.372 23.821 1.237 230 HG11 VAL 32 1HG1 VAL 32 -8.683 22.452 -0.315 231 HG12 VAL 32 2HG1 VAL 32 -9.818 22.072 0.994 232 HG13 VAL 32 3HG1 VAL 32 -8.130 21.521 1.081 233 HG21 VAL 32 1HG2 VAL 32 -10.289 24.561 1.144 234 HG22 VAL 32 2HG2 VAL 32 -9.085 24.814 -0.139 235 HG23 VAL 32 3HG2 VAL 32 -8.919 25.674 1.400 236 HA PRO 33 HA PRO 33 -6.677 26.127 5.579 237 HB2 PRO 33 1HB PRO 33 -3.983 25.916 5.374 238 HB3 PRO 33 2HB PRO 33 -4.974 24.701 6.239 239 HG2 PRO 33 1HG PRO 33 -3.902 24.621 3.464 240 HG3 PRO 33 2HG PRO 33 -3.823 23.378 4.747 241 HD2 PRO 33 1HD PRO 33 -5.671 23.324 2.780 242 HD3 PRO 33 2HD PRO 33 -6.004 22.696 4.431 243 H ILE 34 H ILE 34 -5.398 28.123 5.465 244 HA ILE 34 HA ILE 34 -5.840 29.529 2.972 245 HB ILE 34 HB ILE 34 -4.208 30.286 5.458 246 HG12 ILE 34 1HG1 ILE 34 -6.968 31.211 4.600 247 HG13 ILE 34 2HG1 ILE 34 -6.659 29.949 5.791 248 HG21 ILE 34 1HG2 ILE 34 -4.282 32.619 4.619 249 HG22 ILE 34 2HG2 ILE 34 -5.137 32.078 3.156 250 HG23 ILE 34 3HG2 ILE 34 -3.454 31.580 3.461 251 HD11 ILE 34 1HD1 ILE 34 -5.419 31.612 7.196 252 HD12 ILE 34 2HD1 ILE 34 -7.127 32.018 6.961 253 HD13 ILE 34 3HD1 ILE 34 -5.887 32.879 6.039 254 H ASN 35 H ASN 35 -4.524 29.664 1.257 255 HA ASN 35 HA ASN 35 -1.620 29.122 1.690 256 HB2 ASN 35 1HB ASN 35 -2.861 27.269 0.480 257 HB3 ASN 35 2HB ASN 35 -3.159 28.437 -0.810 258 HD21 ASN 35 1HD2 ASN 35 -0.181 26.676 -1.852 259 HD22 ASN 35 2HD2 ASN 35 -1.896 26.366 -1.649 260 H THR 36 H THR 36 -0.401 30.792 1.211 261 HA THR 36 HA THR 36 -1.584 33.109 -0.179 262 HB THR 36 HB THR 36 0.471 34.231 0.622 263 HG1 THR 36 HG1 THR 36 2.019 33.051 1.704 264 HG21 THR 36 1HG2 THR 36 0.059 34.074 2.984 265 HG22 THR 36 2HG2 THR 36 -0.606 32.434 2.813 266 HG23 THR 36 3HG2 THR 36 -1.506 33.835 2.174 267 H ASN 37 H ASN 37 0.465 30.479 -0.894 268 HA ASN 37 HA ASN 37 1.871 32.008 -3.039 269 HB2 ASN 37 1HB ASN 37 3.589 30.241 -2.905 270 HB3 ASN 37 2HB ASN 37 3.330 31.052 -1.359 271 HD21 ASN 37 1HD2 ASN 37 2.634 28.156 0.363 272 HD22 ASN 37 2HD2 ASN 37 3.112 29.834 0.364 273 H SER 38 H SER 38 -0.887 30.612 -3.270 274 HA SER 38 HA SER 38 -0.211 29.315 -5.847 275 HB2 SER 38 1HB SER 38 -1.889 27.938 -3.729 276 HB3 SER 38 2HB SER 38 -1.550 27.354 -5.366 277 HG SER 38 HG SER 38 0.652 27.996 -3.810 278 H SER 39 H SER 39 -2.186 28.806 -7.131 279 HA SER 39 HA SER 39 -3.928 31.154 -7.130 280 HB2 SER 39 1HB SER 39 -4.018 28.569 -8.746 281 HB3 SER 39 2HB SER 39 -4.846 30.086 -9.151 282 HG SER 39 HG SER 39 -2.872 29.853 -10.273 283 HA PRO 40 HA PRO 40 -7.288 29.428 -4.901 284 HB2 PRO 40 1HB PRO 40 -9.577 29.941 -6.313 285 HB3 PRO 40 2HB PRO 40 -8.653 31.216 -5.451 286 HG2 PRO 40 1HG PRO 40 -8.513 30.452 -8.358 287 HG3 PRO 40 2HG PRO 40 -8.769 32.070 -7.629 288 HD2 PRO 40 1HD PRO 40 -6.326 31.300 -8.425 289 HD3 PRO 40 2HD PRO 40 -6.532 32.213 -6.891 290 H ASP 41 H ASP 41 -6.958 28.624 -8.297 291 HA ASP 41 HA ASP 41 -8.539 26.303 -8.522 292 HB2 ASP 41 1HB ASP 41 -5.783 26.756 -9.722 293 HB3 ASP 41 2HB ASP 41 -7.101 25.797 -10.403 294 H ASP 42 H ASP 42 -5.395 26.902 -7.092 295 HA ASP 42 HA ASP 42 -4.593 24.112 -7.006 296 HB2 ASP 42 1HB ASP 42 -3.436 26.675 -5.914 297 HB3 ASP 42 2HB ASP 42 -2.684 25.106 -5.675 298 H GLN 43 H GLN 43 -6.629 25.931 -4.951 299 HA GLN 43 HA GLN 43 -5.514 25.192 -2.417 300 HB2 GLN 43 1HB GLN 43 -8.381 25.859 -3.111 301 HB3 GLN 43 2HB GLN 43 -7.672 25.858 -1.492 302 HG2 GLN 43 1HG GLN 43 -6.964 27.692 -3.790 303 HG3 GLN 43 2HG GLN 43 -7.810 28.137 -2.310 304 HE21 GLN 43 1HE2 GLN 43 -3.889 28.529 -2.499 305 HE22 GLN 43 2HE2 GLN 43 -4.980 28.438 -3.862 306 H ILE 44 H ILE 44 -7.726 23.414 -4.531 307 HA ILE 44 HA ILE 44 -8.717 21.574 -2.606 308 HB ILE 44 HB ILE 44 -9.724 21.779 -4.792 309 HG12 ILE 44 1HG1 ILE 44 -8.528 19.001 -4.698 310 HG13 ILE 44 2HG1 ILE 44 -9.787 19.549 -3.594 311 HG21 ILE 44 1HG2 ILE 44 -7.617 22.276 -6.051 312 HG22 ILE 44 2HG2 ILE 44 -8.690 21.121 -6.828 313 HG23 ILE 44 3HG2 ILE 44 -7.246 20.536 -5.988 314 HD11 ILE 44 1HD1 ILE 44 -11.243 20.074 -5.625 315 HD12 ILE 44 2HD1 ILE 44 -10.880 18.353 -5.404 316 HD13 ILE 44 3HD1 ILE 44 -10.009 19.284 -6.633 317 H GLY 45 H GLY 45 -8.095 19.640 -1.793 318 HA2 GLY 45 1HA GLY 45 -5.795 18.174 -2.611 319 HA3 GLY 45 2HA GLY 45 -5.298 19.350 -1.381 320 H TYR 46 H TYR 46 -4.781 17.781 0.158 321 HA TYR 46 HA TYR 46 -7.131 16.796 1.616 322 HB2 TYR 46 1HB TYR 46 -6.479 14.474 1.575 323 HB3 TYR 46 2HB TYR 46 -6.646 15.023 -0.089 324 HD1 TYR 46 HD1 TYR 46 -4.372 13.918 2.540 325 HD2 TYR 46 HD2 TYR 46 -4.631 15.298 -1.523 326 HE1 TYR 46 HE1 TYR 46 -2.034 13.093 2.069 327 HE2 TYR 46 HE2 TYR 46 -2.303 14.509 -1.964 328 HH TYR 46 HH TYR 46 -0.424 13.541 -1.077 329 H TYR 47 H TYR 47 -6.421 15.758 3.720 330 HA TYR 47 HA TYR 47 -3.776 16.902 4.563 331 HB2 TYR 47 1HB TYR 47 -6.182 16.139 6.195 332 HB3 TYR 47 2HB TYR 47 -4.616 16.462 6.887 333 HD1 TYR 47 HD1 TYR 47 -3.994 18.623 7.528 334 HD2 TYR 47 HD2 TYR 47 -7.285 18.134 4.796 335 HE1 TYR 47 HE1 TYR 47 -4.579 21.029 7.780 336 HE2 TYR 47 HE2 TYR 47 -7.847 20.547 5.062 337 HH TYR 47 HH TYR 47 -7.435 22.474 6.215 338 H ARG 48 H ARG 48 -2.301 15.582 5.500 339 HA ARG 48 HA ARG 48 -2.797 12.651 5.140 340 HB2 ARG 48 1HB ARG 48 -1.135 13.923 3.657 341 HB3 ARG 48 2HB ARG 48 -0.129 14.110 5.087 342 HG2 ARG 48 1HG ARG 48 0.114 11.709 5.294 343 HG3 ARG 48 2HG ARG 48 -1.061 11.448 3.995 344 HD2 ARG 48 1HD ARG 48 0.454 12.760 2.467 345 HD3 ARG 48 2HD ARG 48 1.678 12.725 3.751 346 HE ARG 48 HE ARG 48 0.870 10.555 1.978 347 HH11 ARG 48 1HH1 ARG 48 2.396 11.228 5.093 348 HH12 ARG 48 2HH1 ARG 48 3.253 9.711 5.099 349 HH21 ARG 48 1HH2 ARG 48 1.997 8.649 2.061 350 HH22 ARG 48 2HH2 ARG 48 3.014 8.273 3.423 351 H ARG 49 H ARG 49 -2.863 11.511 6.943 352 HA ARG 49 HA ARG 49 -2.133 12.491 9.543 353 HB2 ARG 49 1HB ARG 49 -3.740 10.633 8.840 354 HB3 ARG 49 2HB ARG 49 -2.328 9.603 8.620 355 HG2 ARG 49 1HG ARG 49 -1.804 9.784 11.006 356 HG3 ARG 49 2HG ARG 49 -3.166 10.911 11.224 357 HD2 ARG 49 1HD ARG 49 -4.664 9.122 10.236 358 HD3 ARG 49 2HD ARG 49 -3.301 8.000 10.350 359 HE ARG 49 HE ARG 49 -4.919 9.139 12.558 360 HH11 ARG 49 1HH1 ARG 49 -2.116 7.141 11.716 361 HH12 ARG 49 2HH1 ARG 49 -2.066 6.415 13.299 362 HH21 ARG 49 1HH2 ARG 49 -4.830 8.172 14.464 363 HH22 ARG 49 2HH2 ARG 49 -3.580 7.004 14.855 364 H ALA 50 H ALA 50 -0.281 12.220 10.783 365 HA ALA 50 HA ALA 50 1.876 10.486 9.758 366 HB1 ALA 50 1HB ALA 50 2.258 12.641 8.621 367 HB2 ALA 50 2HB ALA 50 3.533 12.315 9.822 368 HB3 ALA 50 3HB ALA 50 2.230 13.468 10.198 369 H THR 51 H THR 51 2.951 9.533 11.335 370 HA THR 51 HA THR 51 3.357 10.830 13.964 371 HB THR 51 HB THR 51 2.801 8.539 15.044 372 HG1 THR 51 HG1 THR 51 2.591 7.495 12.941 373 HG21 THR 51 1HG2 THR 51 0.440 10.038 13.879 374 HG22 THR 51 2HG2 THR 51 1.361 10.532 15.321 375 HG23 THR 51 3HG2 THR 51 0.450 9.005 15.325 376 H ARG 52 H ARG 52 5.379 10.236 14.769 377 HA ARG 52 HA ARG 52 6.573 7.715 13.735 378 HB2 ARG 52 1HB ARG 52 7.287 9.580 12.173 379 HB3 ARG 52 2HB ARG 52 8.044 10.377 13.555 380 HG2 ARG 52 1HG ARG 52 9.792 9.244 12.415 381 HG3 ARG 52 2HG ARG 52 9.452 8.259 13.850 382 HD2 ARG 52 1HD ARG 52 8.044 6.750 12.462 383 HD3 ARG 52 2HD ARG 52 8.408 7.740 11.034 384 HE ARG 52 HE ARG 52 10.855 6.915 12.231 385 HH11 ARG 52 1HH1 ARG 52 8.173 5.490 10.426 386 HH12 ARG 52 2HH1 ARG 52 9.164 4.205 9.792 387 HH21 ARG 52 1HH2 ARG 52 12.055 5.243 11.378 388 HH22 ARG 52 2HH2 ARG 52 11.320 4.079 10.311 389 H ARG 53 H ARG 53 7.403 6.656 15.426 390 HA ARG 53 HA ARG 53 8.244 8.287 17.789 391 HB2 ARG 53 1HB ARG 53 6.218 6.339 17.606 392 HB3 ARG 53 2HB ARG 53 7.560 5.539 18.408 393 HG2 ARG 53 1HG ARG 53 6.317 6.423 20.165 394 HG3 ARG 53 2HG ARG 53 7.611 7.617 19.946 395 HD2 ARG 53 1HD ARG 53 6.118 9.226 19.490 396 HD3 ARG 53 2HD ARG 53 5.383 8.245 18.215 397 HE ARG 53 HE ARG 53 4.567 7.323 20.816 398 HH11 ARG 53 1HH1 ARG 53 3.911 9.915 18.494 399 HH12 ARG 53 2HH1 ARG 53 2.293 10.160 19.132 400 HH21 ARG 53 1HH2 ARG 53 2.500 7.736 21.551 401 HH22 ARG 53 2HH2 ARG 53 1.540 8.997 20.814 402 H ILE 54 H ILE 54 9.857 7.824 18.889 403 HA ILE 54 HA ILE 54 11.524 5.474 18.281 404 HB ILE 54 HB ILE 54 13.520 6.688 17.980 405 HG12 ILE 54 1HG1 ILE 54 13.444 8.360 19.669 406 HG13 ILE 54 2HG1 ILE 54 13.782 9.121 18.136 407 HG21 ILE 54 1HG2 ILE 54 13.239 8.068 15.992 408 HG22 ILE 54 2HG2 ILE 54 11.514 8.290 16.355 409 HG23 ILE 54 3HG2 ILE 54 12.137 6.676 15.939 410 HD11 ILE 54 1HD1 ILE 54 12.340 10.552 19.294 411 HD12 ILE 54 2HD1 ILE 54 11.229 9.229 19.696 412 HD13 ILE 54 3HD1 ILE 54 11.371 9.795 18.015 413 H ARG 55 H ARG 55 13.351 5.611 20.091 414 HA ARG 55 HA ARG 55 12.212 6.774 22.598 415 HB2 ARG 55 1HB ARG 55 11.866 4.235 22.338 416 HB3 ARG 55 2HB ARG 55 13.616 4.070 22.461 417 HG2 ARG 55 1HG ARG 55 11.990 5.500 24.595 418 HG3 ARG 55 2HG ARG 55 12.163 3.734 24.585 419 HD2 ARG 55 1HD ARG 55 14.678 4.083 24.568 420 HD3 ARG 55 2HD ARG 55 14.351 5.797 24.850 421 HE ARG 55 HE ARG 55 13.068 4.002 26.760 422 HH11 ARG 55 1HH1 ARG 55 15.953 5.937 26.121 423 HH12 ARG 55 2HH1 ARG 55 16.440 5.938 27.798 424 HH21 ARG 55 1HH2 ARG 55 13.744 4.062 28.885 425 HH22 ARG 55 2HH2 ARG 55 15.193 4.922 29.327 426 H GLY 56 H GLY 56 13.627 8.483 22.755 427 HA2 GLY 56 1HA GLY 56 16.339 8.315 21.805 428 HA3 GLY 56 2HA GLY 56 15.650 9.605 22.816 429 H GLY 57 H GLY 57 18.301 8.396 23.122 430 HA2 GLY 57 1HA GLY 57 18.252 6.401 25.175 431 HA3 GLY 57 2HA GLY 57 19.627 7.459 24.787 432 H ASP 58 H ASP 58 18.301 9.908 25.161 433 HA ASP 58 HA ASP 58 18.328 10.098 28.098 434 HB2 ASP 58 1HB ASP 58 19.592 11.600 26.446 435 HB3 ASP 58 2HB ASP 58 18.021 12.295 26.039 436 H GLY 59 H GLY 59 16.071 9.020 26.229 437 HA2 GLY 59 1HA GLY 59 13.863 8.664 26.870 438 HA3 GLY 59 2HA GLY 59 13.953 10.042 27.966 439 H LYS 60 H LYS 60 15.020 11.550 25.401 440 HA LYS 60 HA LYS 60 12.570 12.842 24.895 441 HB2 LYS 60 1HB LYS 60 15.289 12.879 23.592 442 HB3 LYS 60 2HB LYS 60 13.933 13.796 22.908 443 HG2 LYS 60 1HG LYS 60 14.573 15.448 24.302 444 HG3 LYS 60 2HG LYS 60 13.722 14.495 25.523 445 HD2 LYS 60 1HD LYS 60 15.786 15.077 26.489 446 HD3 LYS 60 2HD LYS 60 15.918 13.369 26.057 447 HE2 LYS 60 1HE LYS 60 17.579 13.743 24.584 448 HE3 LYS 60 2HE LYS 60 16.798 15.203 23.921 449 HZ1 LYS 60 1HZ LYS 60 18.863 15.744 25.097 450 HZ2 LYS 60 2HZ LYS 60 18.286 15.078 26.496 451 HZ3 LYS 60 3HZ LYS 60 17.576 16.430 25.869 452 H MET 61 H MET 61 11.111 12.763 23.471 453 HA MET 61 HA MET 61 11.077 10.475 21.560 454 HB2 MET 61 1HB MET 61 8.797 12.020 22.846 455 HB3 MET 61 2HB MET 61 8.618 10.688 21.695 456 HG2 MET 61 1HG MET 61 9.837 9.201 23.290 457 HG3 MET 61 2HG MET 61 9.860 10.531 24.459 458 HE1 MET 61 1HE MET 61 6.228 8.042 23.161 459 HE2 MET 61 2HE MET 61 7.918 7.840 22.633 460 HE3 MET 61 3HE MET 61 6.933 9.174 21.983 461 H LYS 62 H LYS 62 9.137 11.174 19.818 462 HA LYS 62 HA LYS 62 10.297 13.595 18.508 463 HB2 LYS 62 1HB LYS 62 9.510 10.935 17.577 464 HB3 LYS 62 2HB LYS 62 8.676 12.198 16.664 465 HG2 LYS 62 1HG LYS 62 11.660 12.097 17.070 466 HG3 LYS 62 2HG LYS 62 10.808 11.459 15.653 467 HD2 LYS 62 1HD LYS 62 9.918 13.718 15.163 468 HD3 LYS 62 2HD LYS 62 10.770 14.364 16.580 469 HE2 LYS 62 1HE LYS 62 12.929 13.613 15.595 470 HE3 LYS 62 2HE LYS 62 12.054 13.090 14.139 471 HZ1 LYS 62 1HZ LYS 62 11.325 15.391 13.836 472 HZ2 LYS 62 2HZ LYS 62 12.973 15.323 13.879 473 HZ3 LYS 62 3HZ LYS 62 12.134 15.871 15.190 474 H ASP 63 H ASP 63 7.196 11.831 18.537 475 HA ASP 63 HA ASP 63 5.812 14.393 19.053 476 HB2 ASP 63 1HB ASP 63 4.043 13.694 17.457 477 HB3 ASP 63 2HB ASP 63 5.610 13.979 16.689 478 H LEU 64 H LEU 64 3.514 13.899 19.785 479 HA LEU 64 HA LEU 64 3.446 11.405 21.443 480 HB2 LEU 64 1HB LEU 64 2.822 14.265 22.265 481 HB3 LEU 64 2HB LEU 64 2.160 12.883 23.107 482 HG LEU 64 HG LEU 64 3.906 13.711 24.421 483 HD11 LEU 64 1HD1 LEU 64 5.401 11.828 24.648 484 HD12 LEU 64 2HD1 LEU 64 5.069 11.300 22.984 485 HD13 LEU 64 3HD1 LEU 64 3.785 11.236 24.218 486 HD21 LEU 64 1HD2 LEU 64 5.882 13.465 22.133 487 HD22 LEU 64 2HD2 LEU 64 6.172 14.110 23.761 488 HD23 LEU 64 3HD2 LEU 64 5.115 14.990 22.638 489 H SER 65 H SER 65 1.477 14.271 20.564 490 HA SER 65 HA SER 65 -0.933 12.658 20.230 491 HB2 SER 65 1HB SER 65 -1.353 15.170 19.126 492 HB3 SER 65 2HB SER 65 -1.635 14.741 20.830 493 HG SER 65 HG SER 65 -0.187 16.595 20.385 494 HA PRO 66 HA PRO 66 -0.072 11.963 15.947 495 HB2 PRO 66 1HB PRO 66 -2.539 11.776 14.784 496 HB3 PRO 66 2HB PRO 66 -1.904 10.507 15.881 497 HG2 PRO 66 1HG PRO 66 -3.752 12.790 16.504 498 HG3 PRO 66 2HG PRO 66 -3.939 11.053 16.894 499 HD2 PRO 66 1HD PRO 66 -2.990 12.830 18.706 500 HD3 PRO 66 2HD PRO 66 -2.349 11.153 18.615 501 H ARG 67 H ARG 67 0.119 13.120 13.942 502 HA ARG 67 HA ARG 67 -1.101 15.845 14.022 503 HB2 ARG 67 1HB ARG 67 1.483 15.501 12.610 504 HB3 ARG 67 2HB ARG 67 0.874 16.853 13.571 505 HG2 ARG 67 1HG ARG 67 1.293 15.329 15.620 506 HG3 ARG 67 2HG ARG 67 2.245 14.336 14.491 507 HD2 ARG 67 1HD ARG 67 3.789 15.769 15.503 508 HD3 ARG 67 2HD ARG 67 3.486 16.479 13.906 509 HE ARG 67 HE ARG 67 1.669 17.653 15.749 510 HH11 ARG 67 1HH1 ARG 67 5.171 17.710 15.176 511 HH12 ARG 67 2HH1 ARG 67 5.321 19.309 15.886 512 HH21 ARG 67 1HH2 ARG 67 2.001 19.643 16.643 513 HH22 ARG 67 2HH2 ARG 67 3.619 20.343 16.699 514 H TRP 68 H TRP 68 -1.371 16.863 11.959 515 HA TRP 68 HA TRP 68 -1.481 14.958 9.656 516 HB2 TRP 68 1HB TRP 68 -3.624 16.884 10.613 517 HB3 TRP 68 2HB TRP 68 -3.601 16.186 8.990 518 HD1 TRP 68 HD1 TRP 68 -3.716 14.892 12.675 519 HE1 TRP 68 HE1 TRP 68 -5.095 12.747 12.796 520 HE3 TRP 68 HE3 TRP 68 -4.687 14.386 7.671 521 HZ2 TRP 68 HZ2 TRP 68 -6.428 11.056 10.966 522 HZ3 TRP 68 HZ3 TRP 68 -6.108 12.463 6.920 523 HH2 TRP 68 HH2 TRP 68 -6.987 10.817 8.605 524 H TYR 69 H TYR 69 -0.748 15.815 7.786 525 HA TYR 69 HA TYR 69 0.141 18.699 7.830 526 HB2 TYR 69 1HB TYR 69 1.164 16.226 6.375 527 HB3 TYR 69 2HB TYR 69 1.692 17.868 5.995 528 HD1 TYR 69 HD1 TYR 69 3.477 18.874 7.184 529 HD2 TYR 69 HD2 TYR 69 1.603 15.368 8.856 530 HE1 TYR 69 HE1 TYR 69 5.285 18.708 8.890 531 HE2 TYR 69 HE2 TYR 69 3.411 15.239 10.563 532 HH TYR 69 HH TYR 69 5.346 16.108 11.341 533 H PHE 70 H PHE 70 0.085 19.501 5.324 534 HA PHE 70 HA PHE 70 -2.448 18.466 4.125 535 HB2 PHE 70 1HB PHE 70 -2.878 20.634 5.194 536 HB3 PHE 70 2HB PHE 70 -1.522 21.350 4.314 537 HD1 PHE 70 HD1 PHE 70 -4.870 19.749 3.856 538 HD2 PHE 70 HD2 PHE 70 -1.804 22.183 2.082 539 HE1 PHE 70 HE1 PHE 70 -6.407 20.308 1.965 540 HE2 PHE 70 HE2 PHE 70 -3.344 22.734 0.189 541 HZ PHE 70 HZ PHE 70 -5.638 21.788 0.136 542 H TYR 71 H TYR 71 -2.445 18.131 2.009 543 HA TYR 71 HA TYR 71 -0.020 18.900 0.452 544 HB2 TYR 71 1HB TYR 71 -1.141 16.193 1.087 545 HB3 TYR 71 2HB TYR 71 -0.316 16.458 -0.470 546 HD1 TYR 71 HD1 TYR 71 0.075 16.073 3.164 547 HD2 TYR 71 HD2 TYR 71 2.108 17.069 -0.496 548 HE1 TYR 71 HE1 TYR 71 2.277 15.793 4.308 549 HE2 TYR 71 HE2 TYR 71 4.303 16.811 0.665 550 HH TYR 71 HH TYR 71 4.537 15.895 4.116 551 H TYR 72 H TYR 72 -0.418 19.039 -1.770 552 HA TYR 72 HA TYR 72 -3.184 19.760 -2.352 553 HB2 TYR 72 1HB TYR 72 -0.747 19.866 -4.156 554 HB3 TYR 72 2HB TYR 72 -2.276 20.738 -4.363 555 HD1 TYR 72 HD1 TYR 72 -2.896 22.560 -2.712 556 HD2 TYR 72 HD2 TYR 72 0.977 20.670 -2.676 557 HE1 TYR 72 HE1 TYR 72 -2.006 24.387 -1.286 558 HE2 TYR 72 HE2 TYR 72 1.848 22.496 -1.234 559 HH TYR 72 HH TYR 72 -0.148 25.281 -0.269 560 H LEU 73 H LEU 73 -4.273 19.102 -4.300 561 HA LEU 73 HA LEU 73 -4.536 16.321 -4.596 562 HB2 LEU 73 1HB LEU 73 -5.780 18.586 -5.537 563 HB3 LEU 73 2HB LEU 73 -5.020 17.984 -6.998 564 HG LEU 73 HG LEU 73 -7.130 16.623 -5.318 565 HD11 LEU 73 1HD1 LEU 73 -7.045 17.521 -8.218 566 HD12 LEU 73 2HD1 LEU 73 -7.744 18.464 -6.885 567 HD13 LEU 73 3HD1 LEU 73 -8.448 16.906 -7.323 568 HD21 LEU 73 1HD2 LEU 73 -7.112 14.872 -7.142 569 HD22 LEU 73 2HD2 LEU 73 -5.738 14.804 -6.032 570 HD23 LEU 73 3HD2 LEU 73 -5.539 15.509 -7.658 571 H GLY 74 H GLY 74 -3.425 14.779 -5.724 572 HA2 GLY 74 1HA GLY 74 -1.994 13.846 -7.259 573 HA3 GLY 74 2HA GLY 74 -2.111 15.342 -8.183 574 H THR 75 H THR 75 -0.772 15.040 -4.852 575 HA THR 75 HA THR 75 1.804 16.043 -5.942 576 HB THR 75 HB THR 75 2.355 15.952 -3.358 577 HG1 THR 75 HG1 THR 75 -0.469 16.255 -3.198 578 HG21 THR 75 1HG2 THR 75 1.219 18.161 -3.011 579 HG22 THR 75 2HG2 THR 75 0.404 17.934 -4.577 580 HG23 THR 75 3HG2 THR 75 2.178 18.060 -4.499 581 H GLY 76 H GLY 76 3.725 14.841 -5.698 582 HA2 GLY 76 1HA GLY 76 4.971 12.942 -5.115 583 HA3 GLY 76 2HA GLY 76 3.513 12.107 -4.574 584 HA PRO 77 HA PRO 77 4.575 11.519 -9.245 585 HB2 PRO 77 1HB PRO 77 6.512 9.578 -9.379 586 HB3 PRO 77 2HB PRO 77 6.863 11.320 -9.273 587 HG2 PRO 77 1HG PRO 77 6.815 9.316 -7.052 588 HG3 PRO 77 2HG PRO 77 8.093 10.499 -7.478 589 HD2 PRO 77 1HD PRO 77 6.291 11.028 -5.552 590 HD3 PRO 77 2HD PRO 77 6.842 12.314 -6.683 591 H GLU 78 H GLU 78 4.821 8.893 -6.854 592 HA GLU 78 HA GLU 78 3.019 7.241 -8.583 593 HB2 GLU 78 1HB GLU 78 3.967 5.281 -7.483 594 HB3 GLU 78 2HB GLU 78 5.217 6.228 -8.291 595 HG2 GLU 78 1HG GLU 78 6.057 7.076 -6.206 596 HG3 GLU 78 2HG GLU 78 4.663 6.445 -5.313 597 H ALA 79 H ALA 79 2.378 9.392 -6.569 598 HA ALA 79 HA ALA 79 1.502 8.169 -4.169 599 HB1 ALA 79 1HB ALA 79 1.716 10.581 -4.343 600 HB2 ALA 79 2HB ALA 79 0.032 10.187 -3.948 601 HB3 ALA 79 3HB ALA 79 0.472 10.649 -5.609 602 H GLY 80 H GLY 80 0.038 8.476 -7.350 603 HA2 GLY 80 1HA GLY 80 -1.778 7.440 -8.298 604 HA3 GLY 80 2HA GLY 80 -1.603 6.218 -7.033 605 H LEU 81 H LEU 81 -2.403 9.650 -6.377 606 HA LEU 81 HA LEU 81 -5.023 8.658 -5.436 607 HB2 LEU 81 1HB LEU 81 -3.008 10.592 -4.344 608 HB3 LEU 81 2HB LEU 81 -4.694 10.779 -3.973 609 HG LEU 81 HG LEU 81 -2.987 8.404 -3.241 610 HD11 LEU 81 1HD1 LEU 81 -2.532 10.431 -1.937 611 HD12 LEU 81 2HD1 LEU 81 -3.407 9.263 -0.931 612 HD13 LEU 81 3HD1 LEU 81 -4.268 10.649 -1.618 613 HD21 LEU 81 1HD2 LEU 81 -4.982 7.646 -1.946 614 HD22 LEU 81 2HD2 LEU 81 -5.276 7.631 -3.697 615 HD23 LEU 81 3HD2 LEU 81 -5.940 8.932 -2.684 616 HA PRO 82 HA PRO 82 -6.657 11.998 -8.043 617 HB2 PRO 82 1HB PRO 82 -8.962 10.692 -8.649 618 HB3 PRO 82 2HB PRO 82 -7.433 10.308 -9.507 619 HG2 PRO 82 1HG PRO 82 -8.769 8.862 -7.245 620 HG3 PRO 82 2HG PRO 82 -7.990 8.200 -8.703 621 HD2 PRO 82 1HD PRO 82 -6.810 8.318 -6.264 622 HD3 PRO 82 2HD PRO 82 -5.920 8.268 -7.800 623 H TYR 83 H TYR 83 -8.728 13.216 -7.499 624 HA TYR 83 HA TYR 83 -8.923 13.507 -4.681 625 HB2 TYR 83 1HB TYR 83 -9.427 15.254 -6.384 626 HB3 TYR 83 2HB TYR 83 -10.902 14.385 -6.801 627 HD1 TYR 83 HD1 TYR 83 -12.872 14.520 -5.338 628 HD2 TYR 83 HD2 TYR 83 -9.158 16.342 -4.163 629 HE1 TYR 83 HE1 TYR 83 -14.035 15.725 -3.483 630 HE2 TYR 83 HE2 TYR 83 -10.325 17.533 -2.322 631 HH TYR 83 HH TYR 83 -13.824 17.188 -1.741 632 H GLY 84 H GLY 84 -10.161 12.570 -3.173 633 HA2 GLY 84 1HA GLY 84 -12.085 11.544 -2.327 634 HA3 GLY 84 2HA GLY 84 -12.627 11.177 -3.965 635 H ALA 85 H ALA 85 -9.488 10.102 -4.013 636 HA ALA 85 HA ALA 85 -10.328 7.366 -3.807 637 HB1 ALA 85 1HB ALA 85 -8.555 7.758 -5.242 638 HB2 ALA 85 2HB ALA 85 -7.811 6.945 -3.851 639 HB3 ALA 85 3HB ALA 85 -7.654 8.710 -4.044 640 H ASN 86 H ASN 86 -10.395 5.971 -2.202 641 HA ASN 86 HA ASN 86 -10.007 6.911 0.514 642 HB2 ASN 86 1HB ASN 86 -11.800 5.305 -0.179 643 HB3 ASN 86 2HB ASN 86 -10.547 4.102 -0.524 644 HD21 ASN 86 1HD2 ASN 86 -11.034 2.927 2.717 645 HD22 ASN 86 2HD2 ASN 86 -11.162 2.619 1.002 646 H LYS 87 H LYS 87 -8.261 6.749 1.771 647 HA LYS 87 HA LYS 87 -6.344 4.559 1.450 648 HB2 LYS 87 1HB LYS 87 -5.605 6.264 -0.215 649 HB3 LYS 87 2HB LYS 87 -5.491 7.442 1.059 650 HG2 LYS 87 1HG LYS 87 -3.592 6.479 2.019 651 HG3 LYS 87 2HG LYS 87 -3.929 4.872 1.324 652 HD2 LYS 87 1HD LYS 87 -3.115 7.279 -0.303 653 HD3 LYS 87 2HD LYS 87 -1.964 6.101 0.322 654 HE2 LYS 87 1HE LYS 87 -3.081 4.302 -0.977 655 HE3 LYS 87 2HE LYS 87 -4.252 5.471 -1.608 656 HZ1 LYS 87 1HZ LYS 87 -2.412 6.636 -2.709 657 HZ2 LYS 87 2HZ LYS 87 -2.482 5.069 -3.204 658 HZ3 LYS 87 3HZ LYS 87 -1.325 5.540 -2.131 659 H ASP 88 H ASP 88 -5.012 4.442 3.375 660 HA ASP 88 HA ASP 88 -6.437 5.284 5.715 661 HB2 ASP 88 1HB ASP 88 -4.989 3.262 5.641 662 HB3 ASP 88 2HB ASP 88 -3.569 4.311 5.484 663 H GLY 89 H GLY 89 -6.279 7.016 6.961 664 HA2 GLY 89 1HA GLY 89 -5.479 8.974 7.857 665 HA3 GLY 89 2HA GLY 89 -3.885 8.555 7.220 666 H ILE 90 H ILE 90 -6.623 8.839 5.024 667 HA ILE 90 HA ILE 90 -5.554 11.490 4.157 668 HB ILE 90 HB ILE 90 -6.577 9.228 2.349 669 HG12 ILE 90 1HG1 ILE 90 -4.342 8.749 3.227 670 HG13 ILE 90 2HG1 ILE 90 -4.311 9.076 1.503 671 HG21 ILE 90 1HG2 ILE 90 -5.725 10.801 0.506 672 HG22 ILE 90 2HG2 ILE 90 -5.616 12.069 1.751 673 HG23 ILE 90 3HG2 ILE 90 -7.185 11.345 1.352 674 HD11 ILE 90 1HD1 ILE 90 -3.178 11.051 1.733 675 HD12 ILE 90 2HD1 ILE 90 -2.456 10.010 2.973 676 HD13 ILE 90 3HD1 ILE 90 -3.636 11.268 3.440 677 H ILE 91 H ILE 91 -6.945 13.056 4.140 678 HA ILE 91 HA ILE 91 -9.844 12.394 3.727 679 HB ILE 91 HB ILE 91 -10.406 14.390 5.182 680 HG12 ILE 91 1HG1 ILE 91 -7.976 14.232 6.793 681 HG13 ILE 91 2HG1 ILE 91 -7.629 14.785 5.179 682 HG21 ILE 91 1HG2 ILE 91 -9.001 12.114 6.655 683 HG22 ILE 91 2HG2 ILE 91 -10.646 12.034 5.982 684 HG23 ILE 91 3HG2 ILE 91 -10.282 13.180 7.294 685 HD11 ILE 91 1HD1 ILE 91 -8.164 16.644 6.704 686 HD12 ILE 91 2HD1 ILE 91 -9.800 15.984 6.913 687 HD13 ILE 91 3HD1 ILE 91 -9.246 16.552 5.309 688 H TRP 92 H TRP 92 -10.548 13.242 1.888 689 HA TRP 92 HA TRP 92 -8.981 15.329 0.579 690 HB2 TRP 92 1HB TRP 92 -11.486 13.824 -0.212 691 HB3 TRP 92 2HB TRP 92 -10.664 15.011 -1.232 692 HD1 TRP 92 HD1 TRP 92 -10.357 11.453 0.013 693 HE1 TRP 92 HE1 TRP 92 -8.436 10.250 -1.116 694 HE3 TRP 92 HE3 TRP 92 -8.261 15.521 -2.289 695 HZ2 TRP 92 HZ2 TRP 92 -6.273 10.964 -2.791 696 HZ3 TRP 92 HZ3 TRP 92 -6.212 15.175 -3.672 697 HH2 TRP 92 HH2 TRP 92 -5.228 12.892 -3.932 698 H VAL 93 H VAL 93 -9.426 17.395 0.278 699 HA VAL 93 HA VAL 93 -12.058 18.490 1.127 700 HB VAL 93 HB VAL 93 -10.604 20.392 2.228 701 HG11 VAL 93 1HG1 VAL 93 -10.993 17.719 3.602 702 HG12 VAL 93 2HG1 VAL 93 -12.195 19.027 3.462 703 HG13 VAL 93 3HG1 VAL 93 -10.711 19.281 4.407 704 HG21 VAL 93 1HG2 VAL 93 -8.503 19.749 3.174 705 HG22 VAL 93 2HG2 VAL 93 -8.419 19.275 1.468 706 HG23 VAL 93 3HG2 VAL 93 -8.720 18.046 2.720 707 H ALA 94 H ALA 94 -12.407 20.645 0.271 708 HA ALA 94 HA ALA 94 -10.541 21.649 -1.757 709 HB1 ALA 94 1HB ALA 94 -11.827 19.807 -2.919 710 HB2 ALA 94 2HB ALA 94 -12.132 21.423 -3.599 711 HB3 ALA 94 3HB ALA 94 -13.333 20.671 -2.522 712 H THR 95 H THR 95 -11.499 23.720 -2.645 713 HA THR 95 HA THR 95 -13.667 24.801 -0.895 714 HB THR 95 HB THR 95 -11.436 25.942 -0.446 715 HG1 THR 95 HG1 THR 95 -12.955 27.901 -1.647 716 HG21 THR 95 1HG2 THR 95 -10.541 27.465 -2.095 717 HG22 THR 95 2HG2 THR 95 -11.827 27.041 -3.247 718 HG23 THR 95 3HG2 THR 95 -10.590 25.841 -2.806 719 H GLU 96 H GLU 96 -14.877 26.488 -2.198 720 HA GLU 96 HA GLU 96 -15.648 25.268 -4.677 721 HB2 GLU 96 1HB GLU 96 -17.118 26.576 -3.101 722 HB3 GLU 96 2HB GLU 96 -16.354 28.056 -3.699 723 HG2 GLU 96 1HG GLU 96 -17.254 27.744 -5.881 724 HG3 GLU 96 2HG GLU 96 -17.655 26.049 -5.550 725 H GLY 97 H GLY 97 -15.097 25.728 -6.734 726 HA2 GLY 97 1HA GLY 97 -14.293 27.052 -8.506 727 HA3 GLY 97 2HA GLY 97 -13.569 28.172 -7.348 728 H ALA 98 H ALA 98 -12.568 25.374 -6.109 729 HA ALA 98 HA ALA 98 -9.939 25.599 -7.297 730 HB1 ALA 98 1HB ALA 98 -10.344 25.047 -4.949 731 HB2 ALA 98 2HB ALA 98 -9.367 23.824 -5.781 732 HB3 ALA 98 3HB ALA 98 -11.092 23.511 -5.451 733 H LEU 99 H LEU 99 -8.861 24.127 -8.696 734 HA LEU 99 HA LEU 99 -10.744 22.621 -10.398 735 HB2 LEU 99 1HB LEU 99 -7.860 23.440 -10.745 736 HB3 LEU 99 2HB LEU 99 -8.719 22.412 -11.872 737 HG LEU 99 HG LEU 99 -9.329 25.313 -11.273 738 HD11 LEU 99 1HD1 LEU 99 -8.632 25.571 -13.626 739 HD12 LEU 99 2HD1 LEU 99 -8.324 23.816 -13.729 740 HD13 LEU 99 3HD1 LEU 99 -7.343 24.843 -12.652 741 HD21 LEU 99 1HD2 LEU 99 -10.978 25.127 -13.145 742 HD22 LEU 99 2HD2 LEU 99 -11.464 24.221 -11.705 743 HD23 LEU 99 3HD2 LEU 99 -10.782 23.357 -13.110 744 H ASN 100 H ASN 100 -10.823 20.590 -10.747 745 HA ASN 100 HA ASN 100 -9.427 18.760 -8.950 746 HB2 ASN 100 1HB ASN 100 -11.853 18.563 -9.552 747 HB3 ASN 100 2HB ASN 100 -11.379 18.188 -11.214 748 HD21 ASN 100 1HD2 ASN 100 -11.562 14.834 -10.307 749 HD22 ASN 100 2HD2 ASN 100 -12.175 16.141 -11.289 750 H THR 101 H THR 101 -7.326 19.579 -10.021 751 HA THR 101 HA THR 101 -6.569 17.624 -12.149 752 HB THR 101 HB THR 101 -7.020 20.158 -12.896 753 HG1 THR 101 HG1 THR 101 -5.427 19.891 -14.471 754 HG21 THR 101 1HG2 THR 101 -5.066 21.580 -12.780 755 HG22 THR 101 2HG2 THR 101 -4.143 20.316 -11.924 756 HG23 THR 101 3HG2 THR 101 -5.533 21.121 -11.128 757 HA PRO 102 HA PRO 102 -3.180 17.139 -9.295 758 HB2 PRO 102 1HB PRO 102 -1.092 16.505 -10.912 759 HB3 PRO 102 2HB PRO 102 -2.429 15.351 -10.590 760 HG2 PRO 102 1HG PRO 102 -1.983 17.183 -12.934 761 HG3 PRO 102 2HG PRO 102 -2.438 15.451 -12.925 762 HD2 PRO 102 1HD PRO 102 -4.252 17.418 -13.251 763 HD3 PRO 102 2HD PRO 102 -4.638 15.912 -12.357 764 H LYS 103 H LYS 103 -1.476 18.306 -8.353 765 HA LYS 103 HA LYS 103 -0.014 20.249 -10.022 766 HB2 LYS 103 1HB LYS 103 -0.466 22.072 -8.245 767 HB3 LYS 103 2HB LYS 103 -1.594 21.790 -9.554 768 HG2 LYS 103 1HG LYS 103 -2.352 20.175 -7.278 769 HG3 LYS 103 2HG LYS 103 -2.143 21.871 -6.812 770 HD2 LYS 103 1HD LYS 103 -3.664 22.621 -8.517 771 HD3 LYS 103 2HD LYS 103 -3.702 21.030 -9.284 772 HE2 LYS 103 1HE LYS 103 -5.717 21.639 -7.887 773 HE3 LYS 103 2HE LYS 103 -4.938 20.086 -7.521 774 HZ1 LYS 103 1HZ LYS 103 -5.392 21.282 -5.510 775 HZ2 LYS 103 2HZ LYS 103 -4.539 22.591 -6.029 776 HZ3 LYS 103 3HZ LYS 103 -3.764 21.178 -5.725 777 H ASP 104 H ASP 104 1.288 18.190 -9.226 778 HA ASP 104 HA ASP 104 2.469 18.317 -6.630 779 HB2 ASP 104 1HB ASP 104 2.586 16.457 -8.463 780 HB3 ASP 104 2HB ASP 104 3.968 17.372 -9.076 781 H HIS 105 H HIS 105 2.784 20.403 -9.323 782 HA HIS 105 HA HIS 105 5.493 21.225 -9.065 783 HB2 HIS 105 1HB HIS 105 4.948 23.099 -10.405 784 HB3 HIS 105 2HB HIS 105 3.933 21.779 -10.993 785 HD1 HIS 105 HD1 HIS 105 1.344 22.137 -10.879 786 HD2 HIS 105 HD2 HIS 105 3.550 25.171 -8.999 787 HE1 HIS 105 HE1 HIS 105 -0.299 24.010 -10.313 788 H ILE 106 H ILE 106 2.885 21.697 -6.896 789 HA ILE 106 HA ILE 106 4.084 24.138 -5.727 790 HB ILE 106 HB ILE 106 1.666 22.564 -4.723 791 HG12 ILE 106 1HG1 ILE 106 1.713 24.902 -6.671 792 HG13 ILE 106 2HG1 ILE 106 1.395 23.226 -7.122 793 HG21 ILE 106 1HG2 ILE 106 1.038 24.758 -3.711 794 HG22 ILE 106 2HG2 ILE 106 2.508 25.498 -4.383 795 HG23 ILE 106 3HG2 ILE 106 2.622 24.231 -3.146 796 HD11 ILE 106 1HD1 ILE 106 -0.687 24.090 -7.018 797 HD12 ILE 106 2HD1 ILE 106 -0.334 25.121 -5.618 798 HD13 ILE 106 3HD1 ILE 106 -0.529 23.355 -5.411 799 H GLY 107 H GLY 107 3.960 20.651 -5.286 800 HA2 GLY 107 1HA GLY 107 4.790 20.734 -2.488 801 HA3 GLY 107 2HA GLY 107 4.612 19.304 -3.515 802 H THR 108 H THR 108 6.500 21.692 -5.017 803 HA THR 108 HA THR 108 8.888 20.024 -4.699 804 HB THR 108 HB THR 108 8.177 21.047 -6.905 805 HG1 THR 108 HG1 THR 108 10.738 21.761 -5.877 806 HG21 THR 108 1HG2 THR 108 8.638 23.368 -7.370 807 HG22 THR 108 2HG2 THR 108 9.286 23.635 -5.739 808 HG23 THR 108 3HG2 THR 108 7.551 23.315 -5.971 809 H ARG 109 H ARG 109 7.582 22.143 -2.665 810 HA ARG 109 HA ARG 109 9.488 24.126 -2.077 811 HB2 ARG 109 1HB ARG 109 7.192 23.821 -1.055 812 HB3 ARG 109 2HB ARG 109 7.853 22.496 -0.090 813 HG2 ARG 109 1HG ARG 109 9.493 24.119 0.897 814 HG3 ARG 109 2HG ARG 109 8.667 25.408 0.005 815 HD2 ARG 109 1HD ARG 109 7.697 25.497 2.135 816 HD3 ARG 109 2HD ARG 109 6.536 24.608 1.152 817 HE ARG 109 HE ARG 109 6.868 22.705 2.412 818 HH11 ARG 109 1HH1 ARG 109 9.407 25.016 3.257 819 HH12 ARG 109 2HH1 ARG 109 9.923 24.074 4.632 820 HH21 ARG 109 1HH2 ARG 109 7.524 21.614 4.185 821 HH22 ARG 109 2HH2 ARG 109 8.881 22.168 5.142 822 H ASN 110 H ASN 110 11.490 24.145 -1.111 823 HA ASN 110 HA ASN 110 12.586 21.490 -0.338 824 HB2 ASN 110 1HB ASN 110 13.893 24.193 -0.770 825 HB3 ASN 110 2HB ASN 110 14.758 22.725 -0.302 826 HD21 ASN 110 1HD2 ASN 110 14.224 21.192 -3.536 827 HD22 ASN 110 2HD2 ASN 110 14.125 20.787 -1.840 828 HA PRO 111 HA PRO 111 11.677 23.119 3.727 829 HB2 PRO 111 1HB PRO 111 12.305 20.973 5.262 830 HB3 PRO 111 2HB PRO 111 10.831 21.006 4.240 831 HG2 PRO 111 1HG PRO 111 13.515 19.781 3.637 832 HG3 PRO 111 2HG PRO 111 11.886 19.044 3.508 833 HD2 PRO 111 1HD PRO 111 13.156 20.102 1.362 834 HD3 PRO 111 2HD PRO 111 11.376 20.234 1.558 835 H ALA 112 H ALA 112 14.704 22.060 2.506 836 HA ALA 112 HA ALA 112 16.279 22.795 4.850 837 HB1 ALA 112 1HB ALA 112 17.058 21.056 3.266 838 HB2 ALA 112 2HB ALA 112 18.189 22.430 3.303 839 HB3 ALA 112 3HB ALA 112 17.057 22.249 1.941 840 H ASN 113 H ASN 113 14.907 24.358 2.052 841 HA ASN 113 HA ASN 113 16.767 26.661 2.311 842 HB2 ASN 113 1HB ASN 113 14.765 25.919 0.148 843 HB3 ASN 113 2HB ASN 113 15.799 27.342 0.120 844 HD21 ASN 113 1HD2 ASN 113 17.319 24.504 -1.827 845 HD22 ASN 113 2HD2 ASN 113 15.720 25.207 -1.816 846 H ASN 114 H ASN 114 13.361 25.802 2.838 847 HA ASN 114 HA ASN 114 12.884 28.572 3.694 848 HB2 ASN 114 1HB ASN 114 11.694 28.831 1.770 849 HB3 ASN 114 2HB ASN 114 11.777 27.119 1.431 850 HD21 ASN 114 1HD2 ASN 114 8.600 28.593 3.312 851 HD22 ASN 114 2HD2 ASN 114 10.069 29.500 3.036 852 H ALA 115 H ALA 115 11.189 28.720 5.153 853 HA ALA 115 HA ALA 115 10.836 26.314 6.838 854 HB1 ALA 115 1HB ALA 115 11.649 28.400 7.901 855 HB2 ALA 115 2HB ALA 115 10.065 27.918 8.554 856 HB3 ALA 115 3HB ALA 115 10.170 29.245 7.374 857 H ALA 116 H ALA 116 8.837 25.489 7.416 858 HA ALA 116 HA ALA 116 6.703 25.792 5.520 859 HB1 ALA 116 1HB ALA 116 5.483 24.235 6.977 860 HB2 ALA 116 2HB ALA 116 6.699 24.449 8.256 861 HB3 ALA 116 3HB ALA 116 7.145 23.667 6.719 862 H ILE 117 H ILE 117 4.705 26.692 5.731 863 HA ILE 117 HA ILE 117 4.540 29.103 7.388 864 HB ILE 117 HB ILE 117 2.565 27.807 5.454 865 HG12 ILE 117 1HG1 ILE 117 4.235 30.237 4.823 866 HG13 ILE 117 2HG1 ILE 117 4.927 28.633 4.635 867 HG21 ILE 117 1HG2 ILE 117 1.565 30.091 5.297 868 HG22 ILE 117 2HG2 ILE 117 2.672 30.646 6.573 869 HG23 ILE 117 3HG2 ILE 117 1.429 29.422 6.931 870 HD11 ILE 117 1HD1 ILE 117 4.040 29.373 2.535 871 HD12 ILE 117 2HD1 ILE 117 2.441 29.641 3.265 872 HD13 ILE 117 3HD1 ILE 117 3.099 27.987 3.138 873 H VAL 118 H VAL 118 3.246 29.324 9.264 874 HA VAL 118 HA VAL 118 2.270 26.958 10.535 875 HB VAL 118 HB VAL 118 2.753 28.691 12.035 876 HG11 VAL 118 1HG1 VAL 118 1.713 30.948 11.940 877 HG12 VAL 118 2HG1 VAL 118 1.047 30.535 10.343 878 HG13 VAL 118 3HG1 VAL 118 2.809 30.602 10.594 879 HG21 VAL 118 1HG2 VAL 118 0.665 29.154 13.217 880 HG22 VAL 118 2HG2 VAL 118 0.621 27.503 12.575 881 HG23 VAL 118 3HG2 VAL 118 -0.286 28.799 11.763 882 H LEU 119 H LEU 119 0.455 25.829 10.207 883 HA LEU 119 HA LEU 119 -1.190 26.486 7.959 884 HB2 LEU 119 1HB LEU 119 -0.618 24.199 8.914 885 HB3 LEU 119 2HB LEU 119 -1.832 24.488 10.154 886 HG LEU 119 HG LEU 119 -2.603 24.774 7.256 887 HD11 LEU 119 1HD1 LEU 119 -1.317 22.675 7.363 888 HD12 LEU 119 2HD1 LEU 119 -3.041 22.383 7.073 889 HD13 LEU 119 3HD1 LEU 119 -2.347 22.107 8.687 890 HD21 LEU 119 1HD2 LEU 119 -4.729 23.681 8.194 891 HD22 LEU 119 2HD2 LEU 119 -4.360 25.307 8.790 892 HD23 LEU 119 3HD2 LEU 119 -4.011 23.896 9.799 893 H GLN 120 H GLN 120 -2.969 27.669 7.794 894 HA GLN 120 HA GLN 120 -4.491 28.419 10.260 895 HB2 GLN 120 1HB GLN 120 -3.624 30.188 7.951 896 HB3 GLN 120 2HB GLN 120 -4.794 30.665 9.186 897 HG2 GLN 120 1HG GLN 120 -3.188 30.867 10.832 898 HG3 GLN 120 2HG GLN 120 -2.075 29.760 10.029 899 HE21 GLN 120 1HE2 GLN 120 -0.521 32.195 8.059 900 HE22 GLN 120 2HE2 GLN 120 -0.732 30.486 8.388 901 H LEU 121 H LEU 121 -6.727 28.908 9.780 902 HA LEU 121 HA LEU 121 -7.642 27.648 7.222 903 HB2 LEU 121 1HB LEU 121 -8.751 27.722 10.021 904 HB3 LEU 121 2HB LEU 121 -9.862 27.638 8.670 905 HG LEU 121 HG LEU 121 -7.732 25.569 9.287 906 HD11 LEU 121 1HD1 LEU 121 -9.774 24.218 9.871 907 HD12 LEU 121 2HD1 LEU 121 -10.736 25.699 9.708 908 HD13 LEU 121 3HD1 LEU 121 -9.479 25.596 10.953 909 HD21 LEU 121 1HD2 LEU 121 -9.964 25.625 7.204 910 HD22 LEU 121 2HD2 LEU 121 -9.016 24.182 7.633 911 HD23 LEU 121 3HD2 LEU 121 -8.219 25.575 6.891 912 HA PRO 122 HA PRO 122 -9.184 31.605 6.230 913 HB2 PRO 122 1HB PRO 122 -11.242 31.068 4.529 914 HB3 PRO 122 2HB PRO 122 -9.520 30.756 4.089 915 HG2 PRO 122 1HG PRO 122 -11.575 28.851 5.176 916 HG3 PRO 122 2HG PRO 122 -10.528 28.673 3.732 917 HD2 PRO 122 1HD PRO 122 -9.876 27.563 6.091 918 HD3 PRO 122 2HD PRO 122 -8.621 28.277 5.023 919 H GLN 123 H GLN 123 -11.060 33.039 6.373 920 HA GLN 123 HA GLN 123 -12.384 32.840 8.842 921 HB2 GLN 123 1HB GLN 123 -11.999 34.908 7.460 922 HB3 GLN 123 2HB GLN 123 -13.288 34.375 6.373 923 HG2 GLN 123 1HG GLN 123 -14.923 34.536 8.191 924 HG3 GLN 123 2HG GLN 123 -13.639 34.966 9.334 925 HE21 GLN 123 1HE2 GLN 123 -15.009 38.197 8.559 926 HE22 GLN 123 2HE2 GLN 123 -15.288 36.797 9.566 927 H GLY 124 H GLY 124 -14.216 31.888 9.521 928 HA2 GLY 124 1HA GLY 124 -16.416 31.043 9.258 929 HA3 GLY 124 2HA GLY 124 -16.149 30.873 7.518 930 H THR 125 H THR 125 -13.363 29.587 8.388 931 HA THR 125 HA THR 125 -14.589 26.903 8.856 932 HB THR 125 HB THR 125 -11.803 27.422 7.775 933 HG1 THR 125 HG1 THR 125 -13.369 28.392 6.409 934 HG21 THR 125 1HG2 THR 125 -13.744 25.077 7.528 935 HG22 THR 125 2HG2 THR 125 -12.334 25.116 8.588 936 HG23 THR 125 3HG2 THR 125 -12.118 25.164 6.831 937 H THR 126 H THR 126 -14.245 25.895 10.690 938 HA THR 126 HA THR 126 -12.057 26.880 12.468 939 HB THR 126 HB THR 126 -13.535 25.900 14.309 940 HG1 THR 126 HG1 THR 126 -14.949 24.710 13.012 941 HG21 THR 126 1HG2 THR 126 -14.944 27.875 14.434 942 HG22 THR 126 2HG2 THR 126 -14.655 28.223 12.714 943 HG23 THR 126 3HG2 THR 126 -13.309 28.309 13.880 944 H LEU 127 H LEU 127 -10.897 25.409 13.626 945 HA LEU 127 HA LEU 127 -10.471 22.845 12.359 946 HB2 LEU 127 1HB LEU 127 -9.608 23.869 15.077 947 HB3 LEU 127 2HB LEU 127 -9.003 22.417 14.324 948 HG LEU 127 HG LEU 127 -8.580 25.185 13.170 949 HD11 LEU 127 1HD1 LEU 127 -6.297 25.046 14.071 950 HD12 LEU 127 2HD1 LEU 127 -6.674 23.488 14.839 951 HD13 LEU 127 3HD1 LEU 127 -7.487 24.968 15.388 952 HD21 LEU 127 1HD2 LEU 127 -7.236 22.512 12.607 953 HD22 LEU 127 2HD2 LEU 127 -6.864 24.068 11.826 954 HD23 LEU 127 3HD2 LEU 127 -8.436 23.299 11.562 955 HA PRO 128 HA PRO 128 -13.532 20.735 14.729 956 HB2 PRO 128 1HB PRO 128 -12.706 18.131 14.648 957 HB3 PRO 128 2HB PRO 128 -13.343 18.996 13.215 958 HG2 PRO 128 1HG PRO 128 -10.565 18.349 13.953 959 HG3 PRO 128 2HG PRO 128 -11.356 18.360 12.362 960 HD2 PRO 128 1HD PRO 128 -9.709 20.381 13.381 961 HD3 PRO 128 2HD PRO 128 -10.877 20.594 12.043 962 H LYS 129 H LYS 129 -13.708 19.161 16.699 963 HA LYS 129 HA LYS 129 -12.497 20.520 18.835 964 HB2 LYS 129 1HB LYS 129 -14.615 19.170 18.855 965 HB3 LYS 129 2HB LYS 129 -13.628 17.701 18.891 966 HG2 LYS 129 1HG LYS 129 -12.652 18.400 21.039 967 HG3 LYS 129 2HG LYS 129 -13.594 19.905 20.982 968 HD2 LYS 129 1HD LYS 129 -15.683 18.571 20.959 969 HD3 LYS 129 2HD LYS 129 -14.715 17.086 21.098 970 HE2 LYS 129 1HE LYS 129 -13.783 17.891 23.240 971 HE3 LYS 129 2HE LYS 129 -14.728 19.389 23.094 972 HZ1 LYS 129 1HZ LYS 129 -15.826 17.774 24.517 973 HZ2 LYS 129 2HZ LYS 129 -15.873 16.664 23.297 974 HZ3 LYS 129 3HZ LYS 129 -16.743 18.060 23.176 975 H GLY 130 H GLY 130 -10.650 20.442 19.857 976 HA2 GLY 130 1HA GLY 130 -8.931 19.334 21.017 977 HA3 GLY 130 2HA GLY 130 -9.156 17.909 20.007 978 H PHE 131 H PHE 131 -9.023 20.334 17.775 979 HA PHE 131 HA PHE 131 -6.230 19.748 17.278 980 HB2 PHE 131 1HB PHE 131 -8.574 20.648 15.716 981 HB3 PHE 131 2HB PHE 131 -7.015 21.299 15.222 982 HD1 PHE 131 HD1 PHE 131 -9.088 18.311 15.419 983 HD2 PHE 131 HD2 PHE 131 -5.209 19.852 14.463 984 HE1 PHE 131 HE1 PHE 131 -8.589 16.249 14.155 985 HE2 PHE 131 HE2 PHE 131 -4.674 17.763 13.208 986 HZ PHE 131 HZ PHE 131 -6.366 15.969 13.040 987 H TYR 132 H TYR 132 -4.728 21.062 16.965 988 HA TYR 132 HA TYR 132 -5.090 23.987 17.021 989 HB2 TYR 132 1HB TYR 132 -3.273 24.329 18.644 990 HB3 TYR 132 2HB TYR 132 -4.665 23.523 19.366 991 HD1 TYR 132 HD1 TYR 132 -4.541 21.106 20.013 992 HD2 TYR 132 HD2 TYR 132 -1.101 23.198 18.477 993 HE1 TYR 132 HE1 TYR 132 -3.054 19.345 20.938 994 HE2 TYR 132 HE2 TYR 132 0.383 21.424 19.408 995 HH TYR 132 HH TYR 132 -0.923 18.711 21.352 996 H ALA 133 H ALA 133 -3.000 25.054 16.288 997 HA ALA 133 HA ALA 133 -1.758 23.277 14.253 998 HB1 ALA 133 1HB ALA 133 -2.004 26.313 14.321 999 HB2 ALA 133 2HB ALA 133 -3.035 25.210 13.384 1000 HB3 ALA 133 3HB ALA 133 -1.306 25.353 12.999 1001 H GLU 134 H GLU 134 0.379 23.116 13.936 1002 HA GLU 134 HA GLU 134 2.188 23.845 16.124 1003 HB2 GLU 134 1HB GLU 134 2.462 21.760 14.872 1004 HB3 GLU 134 2HB GLU 134 2.574 22.640 13.358 1005 HG2 GLU 134 1HG GLU 134 4.759 21.907 13.926 1006 HG3 GLU 134 2HG GLU 134 4.717 23.660 14.149 1007 H GLY 135 H GLY 135 3.890 25.405 16.000 1008 HA2 GLY 135 1HA GLY 135 5.168 27.068 14.895 1009 HA3 GLY 135 2HA GLY 135 4.002 27.104 13.570 1010 H SER 136 H SER 136 1.647 27.426 15.295 1011 HA SER 136 HA SER 136 1.557 30.222 15.522 1012 HB2 SER 136 1HB SER 136 -0.258 28.799 17.319 1013 HB3 SER 136 2HB SER 136 -0.607 29.739 15.852 1014 HG SER 136 HG SER 136 -0.179 26.997 16.155 1015 H ARG 137 H ARG 137 2.396 31.549 16.951 1016 HA ARG 137 HA ARG 137 2.882 30.589 19.750 1017 HB2 ARG 137 1HB ARG 137 4.596 32.420 18.033 1018 HB3 ARG 137 2HB ARG 137 4.829 32.197 19.766 1019 HG2 ARG 137 1HG ARG 137 5.023 30.026 17.671 1020 HG3 ARG 137 2HG ARG 137 6.388 30.842 18.445 1021 HD2 ARG 137 1HD ARG 137 4.323 29.046 19.781 1022 HD3 ARG 137 2HD ARG 137 6.036 28.680 19.518 1023 HE ARG 137 HE ARG 137 6.061 31.010 21.008 1024 HH11 ARG 137 1HH1 ARG 137 4.637 27.825 21.525 1025 HH12 ARG 137 2HH1 ARG 137 4.735 27.960 23.260 1026 HH21 ARG 137 1HH2 ARG 137 6.146 31.119 23.225 1027 HH22 ARG 137 2HH2 ARG 137 5.577 29.796 24.202 1028 H GLY 138 H GLY 138 0.748 32.205 18.228 1029 HA2 GLY 138 1HA GLY 138 0.815 34.836 19.404 1030 HA3 GLY 138 2HA GLY 138 -0.625 34.020 18.743 1031 H GLY 139 H GLY 139 -0.146 35.577 21.343 1032 HA2 GLY 139 1HA GLY 139 -1.814 34.224 23.083 1033 HA3 GLY 139 2HA GLY 139 -0.181 33.620 23.462 1034 H SER 140 H SER 140 -0.369 34.705 25.546 1035 HA SER 140 HA SER 140 0.578 37.498 25.419 1036 HB2 SER 140 1HB SER 140 -1.014 38.129 27.235 1037 HB3 SER 140 2HB SER 140 -1.869 37.745 25.722 1038 HG SER 140 HG SER 140 -1.379 35.760 27.670 Start of MODEL 25 1 H1 GLY 1 1H GLY 1 12.636 3.869 -10.384 2 H2 GLY 1 2H GLY 1 12.684 4.840 -9.049 3 H3 GLY 1 3H GLY 1 12.704 3.201 -8.877 4 HA2 GLY 1 1HA GLY 1 14.851 3.042 -9.930 5 HA3 GLY 1 2HA GLY 1 14.830 4.803 -10.153 6 H ALA 2 H ALA 2 16.927 3.454 -8.719 7 HA ALA 2 HA ALA 2 16.233 3.966 -5.874 8 HB1 ALA 2 1HB ALA 2 17.189 1.753 -6.447 9 HB2 ALA 2 2HB ALA 2 18.277 2.677 -5.384 10 HB3 ALA 2 3HB ALA 2 18.632 2.554 -7.122 11 H MET 3 H MET 3 17.014 5.615 -4.776 12 HA MET 3 HA MET 3 18.095 7.507 -4.196 13 HB2 MET 3 1HB MET 3 19.841 5.517 -4.248 14 HB3 MET 3 2HB MET 3 20.635 6.539 -5.448 15 HG2 MET 3 1HG MET 3 20.830 8.353 -3.837 16 HG3 MET 3 2HG MET 3 19.844 7.467 -2.661 17 HE1 MET 3 1HE MET 3 23.462 7.435 -1.045 18 HE2 MET 3 2HE MET 3 21.757 7.888 -0.807 19 HE3 MET 3 3HE MET 3 22.745 8.743 -2.017 20 H GLY 4 H GLY 4 17.199 7.453 -7.206 21 HA2 GLY 4 1HA GLY 4 19.075 9.325 -8.410 22 HA3 GLY 4 2HA GLY 4 17.566 8.737 -9.104 23 H LEU 5 H LEU 5 15.910 9.604 -6.849 24 HA LEU 5 HA LEU 5 15.823 12.480 -7.606 25 HB2 LEU 5 1HB LEU 5 13.714 10.672 -6.375 26 HB3 LEU 5 2HB LEU 5 13.488 12.380 -6.746 27 HG LEU 5 HG LEU 5 14.028 10.214 -8.809 28 HD11 LEU 5 1HD1 LEU 5 11.654 10.493 -9.396 29 HD12 LEU 5 2HD1 LEU 5 11.451 11.667 -8.075 30 HD13 LEU 5 3HD1 LEU 5 11.831 9.967 -7.708 31 HD21 LEU 5 1HD2 LEU 5 13.319 11.965 -10.437 32 HD22 LEU 5 2HD2 LEU 5 14.817 12.397 -9.594 33 HD23 LEU 5 3HD2 LEU 5 13.277 13.156 -9.118 34 HA PRO 6 HA PRO 6 17.119 13.322 -3.492 35 HB2 PRO 6 1HB PRO 6 16.495 15.942 -3.191 36 HB3 PRO 6 2HB PRO 6 17.769 15.401 -4.324 37 HG2 PRO 6 1HG PRO 6 14.887 16.060 -4.903 38 HG3 PRO 6 2HG PRO 6 16.365 16.673 -5.711 39 HD2 PRO 6 1HD PRO 6 14.940 14.603 -6.732 40 HD3 PRO 6 2HD PRO 6 16.735 14.647 -6.834 41 H ASN 7 H ASN 7 13.799 13.745 -4.437 42 HA ASN 7 HA ASN 7 11.817 13.641 -3.315 43 HB2 ASN 7 1HB ASN 7 12.926 11.376 -2.942 44 HB3 ASN 7 2HB ASN 7 13.343 11.937 -1.317 45 HD21 ASN 7 1HD2 ASN 7 9.293 11.826 -1.943 46 HD22 ASN 7 2HD2 ASN 7 10.320 12.703 -3.040 47 H ASN 8 H ASN 8 13.080 16.052 -2.614 48 HA ASN 8 HA ASN 8 12.769 16.301 0.328 49 HB2 ASN 8 1HB ASN 8 13.541 18.382 -1.754 50 HB3 ASN 8 2HB ASN 8 13.623 18.581 -0.001 51 HD21 ASN 8 1HD2 ASN 8 16.347 16.023 0.060 52 HD22 ASN 8 2HD2 ASN 8 14.724 16.075 0.697 53 H THR 9 H THR 9 10.482 15.816 -1.550 54 HA THR 9 HA THR 9 9.005 18.260 -1.920 55 HB THR 9 HB THR 9 7.153 16.587 -2.526 56 HG1 THR 9 HG1 THR 9 7.977 14.887 -1.202 57 HG21 THR 9 1HG2 THR 9 8.236 15.834 -4.581 58 HG22 THR 9 2HG2 THR 9 9.845 16.124 -3.885 59 HG23 THR 9 3HG2 THR 9 8.760 17.490 -4.226 60 H ALA 10 H ALA 10 8.821 19.210 0.078 61 HA ALA 10 HA ALA 10 7.421 17.711 2.201 62 HB1 ALA 10 1HB ALA 10 9.618 18.788 2.616 63 HB2 ALA 10 2HB ALA 10 8.315 19.425 3.659 64 HB3 ALA 10 3HB ALA 10 8.880 20.369 2.251 65 H SER 11 H SER 11 5.707 18.577 3.316 66 HA SER 11 HA SER 11 3.649 19.863 1.840 67 HB2 SER 11 1HB SER 11 3.123 20.278 4.561 68 HB3 SER 11 2HB SER 11 2.633 18.866 3.598 69 HG SER 11 HG SER 11 3.855 18.281 5.464 70 H TRP 12 H TRP 12 2.884 21.987 1.848 71 HA TRP 12 HA TRP 12 4.856 24.031 2.237 72 HB2 TRP 12 1HB TRP 12 2.054 23.885 1.288 73 HB3 TRP 12 2HB TRP 12 2.573 25.439 1.958 74 HD1 TRP 12 HD1 TRP 12 2.991 23.274 -1.088 75 HE1 TRP 12 HE1 TRP 12 4.463 24.379 -2.820 76 HE3 TRP 12 HE3 TRP 12 4.698 27.100 1.828 77 HZ2 TRP 12 HZ2 TRP 12 6.240 26.612 -2.921 78 HZ3 TRP 12 HZ3 TRP 12 6.311 28.735 0.831 79 HH2 TRP 12 HH2 TRP 12 7.089 28.463 -1.522 80 H PHE 13 H PHE 13 2.471 22.745 4.405 81 HA PHE 13 HA PHE 13 2.771 25.166 6.121 82 HB2 PHE 13 1HB PHE 13 0.422 23.260 5.896 83 HB3 PHE 13 2HB PHE 13 0.523 24.671 6.956 84 HD1 PHE 13 HD1 PHE 13 0.414 26.948 6.052 85 HD2 PHE 13 HD2 PHE 13 -0.044 23.498 3.527 86 HE1 PHE 13 HE1 PHE 13 -0.495 28.395 4.245 87 HE2 PHE 13 HE2 PHE 13 -0.979 24.934 1.724 88 HZ PHE 13 HZ PHE 13 -1.175 27.387 2.069 89 H THR 14 H THR 14 2.523 24.860 8.388 90 HA THR 14 HA THR 14 4.002 22.578 9.379 91 HB THR 14 HB THR 14 3.480 23.487 11.616 92 HG1 THR 14 HG1 THR 14 2.085 25.163 11.875 93 HG21 THR 14 1HG2 THR 14 4.552 25.676 11.411 94 HG22 THR 14 2HG2 THR 14 4.239 25.689 9.665 95 HG23 THR 14 3HG2 THR 14 5.351 24.488 10.360 96 H ALA 15 H ALA 15 3.081 21.129 11.074 97 HA ALA 15 HA ALA 15 0.763 19.878 9.929 98 HB1 ALA 15 1HB ALA 15 2.726 18.687 10.913 99 HB2 ALA 15 2HB ALA 15 1.166 18.146 11.544 100 HB3 ALA 15 3HB ALA 15 2.198 19.224 12.520 101 H LEU 16 H LEU 16 -1.190 19.384 10.868 102 HA LEU 16 HA LEU 16 -2.129 21.150 13.089 103 HB2 LEU 16 1HB LEU 16 -3.431 19.109 11.247 104 HB3 LEU 16 2HB LEU 16 -4.225 19.707 12.686 105 HG LEU 16 HG LEU 16 -3.423 21.410 10.338 106 HD11 LEU 16 1HD1 LEU 16 -5.836 21.503 9.899 107 HD12 LEU 16 2HD1 LEU 16 -6.144 20.430 11.287 108 HD13 LEU 16 3HD1 LEU 16 -5.266 19.822 9.867 109 HD21 LEU 16 1HD2 LEU 16 -4.931 23.076 11.536 110 HD22 LEU 16 2HD2 LEU 16 -3.368 22.765 12.303 111 HD23 LEU 16 3HD2 LEU 16 -4.845 22.014 12.955 112 H THR 17 H THR 17 -2.712 20.111 15.116 113 HA THR 17 HA THR 17 -1.654 17.310 15.372 114 HB THR 17 HB THR 17 -1.493 19.543 17.438 115 HG1 THR 17 HG1 THR 17 -0.034 19.897 15.752 116 HG21 THR 17 1HG2 THR 17 0.100 17.924 18.524 117 HG22 THR 17 2HG2 THR 17 -0.445 16.692 17.363 118 HG23 THR 17 3HG2 THR 17 -1.594 17.402 18.526 119 H GLN 18 H GLN 18 -2.899 15.903 16.522 120 HA GLN 18 HA GLN 18 -5.577 16.938 17.365 121 HB2 GLN 18 1HB GLN 18 -5.671 15.361 15.521 122 HB3 GLN 18 2HB GLN 18 -4.616 14.248 16.347 123 HG2 GLN 18 1HG GLN 18 -6.870 13.376 16.393 124 HG3 GLN 18 2HG GLN 18 -6.386 13.787 18.033 125 HE21 GLN 18 1HE2 GLN 18 -9.848 15.091 16.756 126 HE22 GLN 18 2HE2 GLN 18 -8.966 13.669 16.214 127 H HIS 19 H HIS 19 -6.332 16.623 19.312 128 HA HIS 19 HA HIS 19 -5.129 14.502 21.040 129 HB2 HIS 19 1HB HIS 19 -4.241 16.688 21.836 130 HB3 HIS 19 2HB HIS 19 -5.885 17.337 21.888 131 HD1 HIS 19 HD1 HIS 19 -3.603 14.910 23.720 132 HD2 HIS 19 HD2 HIS 19 -7.393 16.600 24.086 133 HE1 HIS 19 HE1 HIS 19 -4.428 14.365 26.049 134 H GLY 20 H GLY 20 -6.840 13.108 20.694 135 HA2 GLY 20 1HA GLY 20 -9.353 13.525 21.877 136 HA3 GLY 20 2HA GLY 20 -9.496 14.014 20.172 137 H LYS 21 H LYS 21 -11.034 12.116 20.158 138 HA LYS 21 HA LYS 21 -9.624 9.485 20.096 139 HB2 LYS 21 1HB LYS 21 -12.576 10.196 20.134 140 HB3 LYS 21 2HB LYS 21 -11.926 8.558 20.038 141 HG2 LYS 21 1HG LYS 21 -10.698 9.062 22.230 142 HG3 LYS 21 2HG LYS 21 -11.725 10.498 22.359 143 HD2 LYS 21 1HD LYS 21 -12.718 7.622 22.099 144 HD3 LYS 21 2HD LYS 21 -12.609 8.516 23.620 145 HE2 LYS 21 1HE LYS 21 -14.359 9.278 21.238 146 HE3 LYS 21 2HE LYS 21 -14.917 8.475 22.715 147 HZ1 LYS 21 1HZ LYS 21 -15.322 10.850 22.789 148 HZ2 LYS 21 2HZ LYS 21 -13.717 11.181 22.599 149 HZ3 LYS 21 3HZ LYS 21 -14.247 10.427 23.968 150 H GLU 22 H GLU 22 -11.221 11.770 18.009 151 HA GLU 22 HA GLU 22 -11.519 9.804 15.840 152 HB2 GLU 22 1HB GLU 22 -12.515 11.697 14.613 153 HB3 GLU 22 2HB GLU 22 -13.287 11.412 16.165 154 HG2 GLU 22 1HG GLU 22 -11.714 13.277 17.068 155 HG3 GLU 22 2HG GLU 22 -11.475 13.684 15.360 156 H ASP 23 H ASP 23 -10.662 10.344 13.684 157 HA ASP 23 HA ASP 23 -7.805 10.814 13.950 158 HB2 ASP 23 1HB ASP 23 -9.475 9.343 12.263 159 HB3 ASP 23 2HB ASP 23 -8.915 10.644 11.207 160 H LEU 24 H LEU 24 -10.231 12.272 11.758 161 HA LEU 24 HA LEU 24 -9.964 14.988 12.368 162 HB2 LEU 24 1HB LEU 24 -7.635 14.912 11.531 163 HB3 LEU 24 2HB LEU 24 -8.161 14.113 10.068 164 HG LEU 24 HG LEU 24 -9.258 16.127 9.288 165 HD11 LEU 24 1HD1 LEU 24 -9.186 18.266 10.385 166 HD12 LEU 24 2HD1 LEU 24 -8.234 17.616 11.733 167 HD13 LEU 24 3HD1 LEU 24 -9.920 17.123 11.517 168 HD21 LEU 24 1HD2 LEU 24 -7.264 17.526 8.965 169 HD22 LEU 24 2HD2 LEU 24 -6.874 15.800 8.819 170 HD23 LEU 24 3HD2 LEU 24 -6.450 16.683 10.305 171 H LYS 25 H LYS 25 -11.581 16.043 11.137 172 HA LYS 25 HA LYS 25 -12.354 14.925 8.546 173 HB2 LYS 25 1HB LYS 25 -13.585 13.626 10.419 174 HB3 LYS 25 2HB LYS 25 -14.494 15.110 10.704 175 HG2 LYS 25 1HG LYS 25 -14.327 13.937 7.928 176 HG3 LYS 25 2HG LYS 25 -15.423 13.218 9.119 177 HD2 LYS 25 1HD LYS 25 -16.596 15.325 9.401 178 HD3 LYS 25 2HD LYS 25 -15.431 16.147 8.354 179 HE2 LYS 25 1HE LYS 25 -16.077 14.530 6.516 180 HE3 LYS 25 2HE LYS 25 -17.430 14.025 7.559 181 HZ1 LYS 25 1HZ LYS 25 -18.102 15.783 6.061 182 HZ2 LYS 25 2HZ LYS 25 -16.887 16.774 6.588 183 HZ3 LYS 25 3HZ LYS 25 -18.126 16.364 7.606 184 H PHE 26 H PHE 26 -12.747 16.679 7.262 185 HA PHE 26 HA PHE 26 -13.508 19.217 8.634 186 HB2 PHE 26 1HB PHE 26 -11.958 18.612 6.114 187 HB3 PHE 26 2HB PHE 26 -12.774 20.164 6.310 188 HD1 PHE 26 HD1 PHE 26 -12.385 20.824 9.152 189 HD2 PHE 26 HD2 PHE 26 -9.596 19.096 6.334 190 HE1 PHE 26 HE1 PHE 26 -10.494 21.713 10.469 191 HE2 PHE 26 HE2 PHE 26 -7.716 19.983 7.677 192 HZ PHE 26 HZ PHE 26 -8.155 21.296 9.738 193 HA PRO 27 HA PRO 27 -17.433 19.056 6.654 194 HB2 PRO 27 1HB PRO 27 -18.034 21.723 6.286 195 HB3 PRO 27 2HB PRO 27 -18.086 20.900 7.875 196 HG2 PRO 27 1HG PRO 27 -15.982 22.624 6.725 197 HG3 PRO 27 2HG PRO 27 -16.645 22.590 8.366 198 HD2 PRO 27 1HD PRO 27 -14.272 21.456 7.665 199 HD3 PRO 27 2HD PRO 27 -15.314 20.817 8.983 200 H ARG 28 H ARG 28 -18.604 19.535 4.621 201 HA ARG 28 HA ARG 28 -16.859 19.103 2.372 202 HB2 ARG 28 1HB ARG 28 -19.147 18.162 2.722 203 HB3 ARG 28 2HB ARG 28 -19.804 19.759 2.344 204 HG2 ARG 28 1HG ARG 28 -18.910 19.654 0.097 205 HG3 ARG 28 2HG ARG 28 -18.020 18.158 0.477 206 HD2 ARG 28 1HD ARG 28 -20.115 17.012 0.938 207 HD3 ARG 28 2HD ARG 28 -21.011 18.498 0.594 208 HE ARG 28 HE ARG 28 -19.430 17.905 -1.674 209 HH11 ARG 28 1HH1 ARG 28 -22.221 16.523 -0.004 210 HH12 ARG 28 2HH1 ARG 28 -22.833 15.773 -1.453 211 HH21 ARG 28 1HH2 ARG 28 -20.284 16.928 -3.485 212 HH22 ARG 28 2HH2 ARG 28 -21.758 16.004 -3.384 213 H GLY 29 H GLY 29 -16.036 20.501 0.890 214 HA2 GLY 29 1HA GLY 29 -15.859 22.429 -0.401 215 HA3 GLY 29 2HA GLY 29 -17.333 23.058 0.358 216 H GLN 30 H GLN 30 -15.000 21.894 2.554 217 HA GLN 30 HA GLN 30 -13.762 24.538 3.034 218 HB2 GLN 30 1HB GLN 30 -15.828 23.136 4.688 219 HB3 GLN 30 2HB GLN 30 -14.484 23.887 5.544 220 HG2 GLN 30 1HG GLN 30 -15.043 26.050 4.568 221 HG3 GLN 30 2HG GLN 30 -16.398 25.307 3.694 222 HE21 GLN 30 1HE2 GLN 30 -16.724 26.230 7.636 223 HE22 GLN 30 2HE2 GLN 30 -15.197 26.425 6.777 224 H GLY 31 H GLY 31 -12.209 24.258 4.943 225 HA2 GLY 31 1HA GLY 31 -11.014 22.730 6.378 226 HA3 GLY 31 2HA GLY 31 -11.275 21.439 5.201 227 H VAL 32 H VAL 32 -10.612 23.831 3.205 228 HA VAL 32 HA VAL 32 -7.817 23.095 2.903 229 HB VAL 32 HB VAL 32 -9.412 25.381 1.622 230 HG11 VAL 32 1HG1 VAL 32 -7.648 25.270 -0.114 231 HG12 VAL 32 2HG1 VAL 32 -6.783 24.060 0.830 232 HG13 VAL 32 3HG1 VAL 32 -6.994 25.716 1.446 233 HG21 VAL 32 1HG2 VAL 32 -9.645 23.873 -0.337 234 HG22 VAL 32 2HG2 VAL 32 -10.459 23.212 1.094 235 HG23 VAL 32 3HG2 VAL 32 -8.880 22.561 0.584 236 HA PRO 33 HA PRO 33 -6.586 26.233 5.826 237 HB2 PRO 33 1HB PRO 33 -3.882 26.112 5.451 238 HB3 PRO 33 2HB PRO 33 -4.811 24.846 6.306 239 HG2 PRO 33 1HG PRO 33 -3.836 24.895 3.507 240 HG3 PRO 33 2HG PRO 33 -3.776 23.582 4.705 241 HD2 PRO 33 1HD PRO 33 -5.629 23.668 2.769 242 HD3 PRO 33 2HD PRO 33 -5.947 22.951 4.389 243 H ILE 34 H ILE 34 -5.171 28.287 5.792 244 HA ILE 34 HA ILE 34 -5.979 29.776 3.429 245 HB ILE 34 HB ILE 34 -4.235 30.708 5.742 246 HG12 ILE 34 1HG1 ILE 34 -7.197 31.015 5.200 247 HG13 ILE 34 2HG1 ILE 34 -6.493 29.946 6.418 248 HG21 ILE 34 1HG2 ILE 34 -5.880 32.386 3.766 249 HG22 ILE 34 2HG2 ILE 34 -4.158 32.049 3.521 250 HG23 ILE 34 3HG2 ILE 34 -4.671 32.960 4.944 251 HD11 ILE 34 1HD1 ILE 34 -5.446 31.978 7.483 252 HD12 ILE 34 2HD1 ILE 34 -7.209 31.886 7.572 253 HD13 ILE 34 3HD1 ILE 34 -6.452 32.964 6.391 254 H ASN 35 H ASN 35 -5.015 29.454 1.658 255 HA ASN 35 HA ASN 35 -2.059 29.096 1.577 256 HB2 ASN 35 1HB ASN 35 -4.151 28.800 -0.599 257 HB3 ASN 35 2HB ASN 35 -2.442 28.474 -0.799 258 HD21 ASN 35 1HD2 ASN 35 -3.946 25.211 -0.396 259 HD22 ASN 35 2HD2 ASN 35 -3.816 26.485 -1.591 260 H THR 36 H THR 36 -1.700 31.343 2.167 261 HA THR 36 HA THR 36 -2.828 33.539 0.754 262 HB THR 36 HB THR 36 -1.020 34.876 1.808 263 HG1 THR 36 HG1 THR 36 0.578 33.730 2.998 264 HG21 THR 36 1HG2 THR 36 -1.419 34.303 4.124 265 HG22 THR 36 2HG2 THR 36 -1.939 32.661 3.669 266 HG23 THR 36 3HG2 THR 36 -2.922 34.078 3.206 267 H ASN 37 H ASN 37 -0.103 31.539 -0.066 268 HA ASN 37 HA ASN 37 0.699 33.469 -2.201 269 HB2 ASN 37 1HB ASN 37 2.929 32.244 -1.992 270 HB3 ASN 37 2HB ASN 37 2.442 33.253 -0.627 271 HD21 ASN 37 1HD2 ASN 37 2.585 30.744 1.694 272 HD22 ASN 37 2HD2 ASN 37 2.478 32.443 1.309 273 H SER 38 H SER 38 -1.462 31.474 -2.472 274 HA SER 38 HA SER 38 -0.223 29.873 -4.675 275 HB2 SER 38 1HB SER 38 -2.382 28.834 -2.845 276 HB3 SER 38 2HB SER 38 -1.440 27.947 -4.053 277 HG SER 38 HG SER 38 -0.146 29.257 -1.937 278 H SER 39 H SER 39 -1.940 28.999 -6.183 279 HA SER 39 HA SER 39 -3.583 31.229 -7.031 280 HB2 SER 39 1HB SER 39 -3.387 28.384 -8.090 281 HB3 SER 39 2HB SER 39 -4.084 29.774 -8.945 282 HG SER 39 HG SER 39 -1.951 29.422 -9.598 283 HA PRO 40 HA PRO 40 -7.328 29.947 -5.174 284 HB2 PRO 40 1HB PRO 40 -9.301 30.597 -6.949 285 HB3 PRO 40 2HB PRO 40 -8.353 31.834 -6.061 286 HG2 PRO 40 1HG PRO 40 -7.906 30.763 -8.843 287 HG3 PRO 40 2HG PRO 40 -8.046 32.468 -8.302 288 HD2 PRO 40 1HD PRO 40 -5.637 31.322 -8.654 289 HD3 PRO 40 2HD PRO 40 -5.928 32.431 -7.268 290 H ASP 41 H ASP 41 -6.581 28.604 -8.369 291 HA ASP 41 HA ASP 41 -8.645 26.566 -8.214 292 HB2 ASP 41 1HB ASP 41 -7.734 25.685 -10.168 293 HB3 ASP 41 2HB ASP 41 -7.443 27.421 -10.335 294 H ASP 42 H ASP 42 -5.495 27.045 -6.891 295 HA ASP 42 HA ASP 42 -4.669 24.294 -6.837 296 HB2 ASP 42 1HB ASP 42 -2.723 25.308 -6.675 297 HB3 ASP 42 2HB ASP 42 -3.536 26.861 -6.545 298 H GLN 43 H GLN 43 -6.738 26.027 -4.883 299 HA GLN 43 HA GLN 43 -6.064 25.326 -2.270 300 HB2 GLN 43 1HB GLN 43 -8.801 25.659 -3.537 301 HB3 GLN 43 2HB GLN 43 -8.460 25.802 -1.821 302 HG2 GLN 43 1HG GLN 43 -7.416 27.615 -4.022 303 HG3 GLN 43 2HG GLN 43 -8.667 28.018 -2.853 304 HE21 GLN 43 1HE2 GLN 43 -4.898 28.922 -2.084 305 HE22 GLN 43 2HE2 GLN 43 -5.547 28.536 -3.658 306 H ILE 44 H ILE 44 -7.584 23.298 -4.704 307 HA ILE 44 HA ILE 44 -8.670 21.344 -2.922 308 HB ILE 44 HB ILE 44 -9.336 21.574 -5.265 309 HG12 ILE 44 1HG1 ILE 44 -8.187 18.812 -4.958 310 HG13 ILE 44 2HG1 ILE 44 -9.478 19.402 -3.909 311 HG21 ILE 44 1HG2 ILE 44 -7.194 22.121 -6.296 312 HG22 ILE 44 2HG2 ILE 44 -7.907 20.705 -7.077 313 HG23 ILE 44 3HG2 ILE 44 -6.576 20.491 -5.940 314 HD11 ILE 44 1HD1 ILE 44 -9.628 19.247 -6.945 315 HD12 ILE 44 2HD1 ILE 44 -10.913 19.840 -5.868 316 HD13 ILE 44 3HD1 ILE 44 -10.408 18.143 -5.803 317 H GLY 45 H GLY 45 -7.884 19.559 -1.951 318 HA2 GLY 45 1HA GLY 45 -5.428 18.275 -2.593 319 HA3 GLY 45 2HA GLY 45 -5.107 19.498 -1.348 320 H TYR 46 H TYR 46 -4.547 17.769 0.115 321 HA TYR 46 HA TYR 46 -6.930 16.820 1.545 322 HB2 TYR 46 1HB TYR 46 -6.435 14.491 1.394 323 HB3 TYR 46 2HB TYR 46 -6.442 15.105 -0.249 324 HD1 TYR 46 HD1 TYR 46 -4.284 15.355 -1.496 325 HD2 TYR 46 HD2 TYR 46 -4.489 13.657 2.458 326 HE1 TYR 46 HE1 TYR 46 -2.001 14.395 -1.808 327 HE2 TYR 46 HE2 TYR 46 -2.207 12.664 2.106 328 HH TYR 46 HH TYR 46 -0.423 12.424 0.713 329 H TYR 47 H TYR 47 -6.252 15.638 3.585 330 HA TYR 47 HA TYR 47 -3.589 16.675 4.515 331 HB2 TYR 47 1HB TYR 47 -6.181 16.224 5.945 332 HB3 TYR 47 2HB TYR 47 -4.666 16.196 6.811 333 HD1 TYR 47 HD1 TYR 47 -3.627 18.147 7.558 334 HD2 TYR 47 HD2 TYR 47 -6.781 18.427 4.637 335 HE1 TYR 47 HE1 TYR 47 -3.713 20.596 7.877 336 HE2 TYR 47 HE2 TYR 47 -6.844 20.886 4.966 337 HH TYR 47 HH TYR 47 -4.728 22.534 7.317 338 H ARG 48 H ARG 48 -2.202 15.290 5.458 339 HA ARG 48 HA ARG 48 -2.923 12.382 5.304 340 HB2 ARG 48 1HB ARG 48 -1.215 13.331 3.683 341 HB3 ARG 48 2HB ARG 48 -0.181 13.674 5.064 342 HG2 ARG 48 1HG ARG 48 -0.035 11.331 5.629 343 HG3 ARG 48 2HG ARG 48 -1.224 10.914 4.387 344 HD2 ARG 48 1HD ARG 48 0.315 11.779 2.648 345 HD3 ARG 48 2HD ARG 48 1.521 12.114 3.903 346 HE ARG 48 HE ARG 48 0.747 9.498 2.810 347 HH11 ARG 48 1HH1 ARG 48 2.420 11.134 5.458 348 HH12 ARG 48 2HH1 ARG 48 3.355 9.721 5.861 349 HH21 ARG 48 1HH2 ARG 48 1.974 7.741 3.389 350 HH22 ARG 48 2HH2 ARG 48 3.094 7.833 4.718 351 H ARG 49 H ARG 49 -2.911 11.283 7.173 352 HA ARG 49 HA ARG 49 -1.998 12.466 9.653 353 HB2 ARG 49 1HB ARG 49 -3.833 10.801 9.466 354 HB3 ARG 49 2HB ARG 49 -2.662 9.564 9.004 355 HG2 ARG 49 1HG ARG 49 -1.719 9.470 11.152 356 HG3 ARG 49 2HG ARG 49 -2.340 11.068 11.600 357 HD2 ARG 49 1HD ARG 49 -3.573 9.328 12.780 358 HD3 ARG 49 2HD ARG 49 -4.616 10.216 11.674 359 HE ARG 49 HE ARG 49 -4.960 8.320 10.401 360 HH11 ARG 49 1HH1 ARG 49 -2.522 7.596 12.850 361 HH12 ARG 49 2HH1 ARG 49 -2.590 5.883 12.537 362 HH21 ARG 49 1HH2 ARG 49 -4.983 6.108 10.058 363 HH22 ARG 49 2HH2 ARG 49 -3.946 5.071 10.988 364 H ALA 50 H ALA 50 -0.201 12.146 10.850 365 HA ALA 50 HA ALA 50 1.862 10.196 10.043 366 HB1 ALA 50 1HB ALA 50 2.382 12.215 8.657 367 HB2 ALA 50 2HB ALA 50 3.614 11.986 9.923 368 HB3 ALA 50 3HB ALA 50 2.351 13.232 10.121 369 H THR 51 H THR 51 3.456 9.934 11.786 370 HA THR 51 HA THR 51 2.868 11.424 14.316 371 HB THR 51 HB THR 51 3.517 9.398 15.613 372 HG1 THR 51 HG1 THR 51 3.874 7.475 14.619 373 HG21 THR 51 1HG2 THR 51 1.510 8.052 15.301 374 HG22 THR 51 2HG2 THR 51 1.225 8.798 13.711 375 HG23 THR 51 3HG2 THR 51 1.121 9.782 15.194 376 H ARG 52 H ARG 52 4.983 11.356 15.683 377 HA ARG 52 HA ARG 52 7.241 11.665 13.737 378 HB2 ARG 52 1HB ARG 52 6.735 13.510 15.388 379 HB3 ARG 52 2HB ARG 52 7.101 12.377 16.690 380 HG2 ARG 52 1HG ARG 52 9.081 13.575 16.482 381 HG3 ARG 52 2HG ARG 52 9.418 12.106 15.541 382 HD2 ARG 52 1HD ARG 52 8.936 13.296 13.457 383 HD3 ARG 52 2HD ARG 52 8.457 14.745 14.368 384 HE ARG 52 HE ARG 52 11.101 14.031 15.126 385 HH11 ARG 52 1HH1 ARG 52 9.419 15.369 12.324 386 HH12 ARG 52 2HH1 ARG 52 10.832 16.230 11.775 387 HH21 ARG 52 1HH2 ARG 52 12.859 15.159 14.361 388 HH22 ARG 52 2HH2 ARG 52 12.740 16.109 12.907 389 H ARG 53 H ARG 53 8.559 9.942 13.479 390 HA ARG 53 HA ARG 53 9.144 8.261 15.858 391 HB2 ARG 53 1HB ARG 53 7.256 7.239 14.507 392 HB3 ARG 53 2HB ARG 53 8.376 7.105 13.147 393 HG2 ARG 53 1HG ARG 53 9.465 5.956 15.617 394 HG3 ARG 53 2HG ARG 53 7.928 5.212 15.156 395 HD2 ARG 53 1HD ARG 53 10.102 5.600 13.093 396 HD3 ARG 53 2HD ARG 53 10.176 4.239 14.231 397 HE ARG 53 HE ARG 53 7.581 4.241 13.145 398 HH11 ARG 53 1HH1 ARG 53 10.866 3.760 11.934 399 HH12 ARG 53 2HH1 ARG 53 10.341 2.673 10.676 400 HH21 ARG 53 1HH2 ARG 53 6.992 2.840 11.522 401 HH22 ARG 53 2HH2 ARG 53 8.187 2.170 10.444 402 H ILE 54 H ILE 54 11.115 7.489 15.947 403 HA ILE 54 HA ILE 54 12.970 8.042 13.695 404 HB ILE 54 HB ILE 54 14.516 9.250 15.051 405 HG12 ILE 54 1HG1 ILE 54 14.593 7.996 17.086 406 HG13 ILE 54 2HG1 ILE 54 14.274 9.675 17.480 407 HG21 ILE 54 1HG2 ILE 54 13.332 11.238 15.879 408 HG22 ILE 54 2HG2 ILE 54 11.801 10.345 15.939 409 HG23 ILE 54 3HG2 ILE 54 12.582 10.664 14.369 410 HD11 ILE 54 1HD1 ILE 54 12.914 8.421 18.916 411 HD12 ILE 54 2HD1 ILE 54 12.387 7.327 17.626 412 HD13 ILE 54 3HD1 ILE 54 11.799 9.004 17.666 413 H ARG 55 H ARG 55 15.261 7.126 14.544 414 HA ARG 55 HA ARG 55 14.832 4.606 16.103 415 HB2 ARG 55 1HB ARG 55 15.062 3.946 13.739 416 HB3 ARG 55 2HB ARG 55 16.441 5.030 13.545 417 HG2 ARG 55 1HG ARG 55 17.406 2.882 13.685 418 HG3 ARG 55 2HG ARG 55 17.674 3.601 15.273 419 HD2 ARG 55 1HD ARG 55 16.976 1.441 15.808 420 HD3 ARG 55 2HD ARG 55 15.481 2.371 15.970 421 HE ARG 55 HE ARG 55 14.604 1.303 14.077 422 HH11 ARG 55 1HH1 ARG 55 17.986 0.334 14.470 423 HH12 ARG 55 2HH1 ARG 55 17.833 -0.976 13.332 424 HH21 ARG 55 1HH2 ARG 55 14.501 -0.395 12.639 425 HH22 ARG 55 2HH2 ARG 55 15.908 -1.370 12.313 426 H GLY 56 H GLY 56 16.148 4.687 17.885 427 HA2 GLY 56 1HA GLY 56 18.835 5.825 17.626 428 HA3 GLY 56 2HA GLY 56 17.744 6.704 18.730 429 H GLY 57 H GLY 57 20.199 4.914 19.238 430 HA2 GLY 57 1HA GLY 57 19.249 2.449 20.329 431 HA3 GLY 57 2HA GLY 57 20.800 3.223 20.695 432 H ASP 58 H ASP 58 20.408 5.375 22.099 433 HA ASP 58 HA ASP 58 18.675 4.501 24.349 434 HB2 ASP 58 1HB ASP 58 21.283 4.921 24.507 435 HB3 ASP 58 2HB ASP 58 20.765 6.606 24.685 436 H GLY 59 H GLY 59 18.330 6.290 21.782 437 HA2 GLY 59 1HA GLY 59 17.218 8.713 23.078 438 HA3 GLY 59 2HA GLY 59 17.466 8.461 21.323 439 H LYS 60 H LYS 60 16.609 5.602 22.082 440 HA LYS 60 HA LYS 60 14.797 4.264 21.823 441 HB2 LYS 60 1HB LYS 60 13.606 6.397 23.514 442 HB3 LYS 60 2HB LYS 60 13.075 4.712 23.429 443 HG2 LYS 60 1HG LYS 60 15.631 5.818 24.641 444 HG3 LYS 60 2HG LYS 60 14.268 5.132 25.515 445 HD2 LYS 60 1HD LYS 60 14.772 2.899 24.551 446 HD3 LYS 60 2HD LYS 60 16.133 3.612 23.654 447 HE2 LYS 60 1HE LYS 60 16.872 4.512 26.002 448 HE3 LYS 60 2HE LYS 60 15.830 3.231 26.637 449 HZ1 LYS 60 1HZ LYS 60 17.878 2.598 24.617 450 HZ2 LYS 60 2HZ LYS 60 17.241 1.617 25.788 451 HZ3 LYS 60 3HZ LYS 60 18.325 2.806 26.192 452 H MET 61 H MET 61 12.180 4.744 21.813 453 HA MET 61 HA MET 61 11.789 5.921 19.127 454 HB2 MET 61 1HB MET 61 9.960 4.298 20.918 455 HB3 MET 61 2HB MET 61 9.503 4.954 19.340 456 HG2 MET 61 1HG MET 61 11.538 3.736 18.398 457 HG3 MET 61 2HG MET 61 11.610 2.874 19.943 458 HE1 MET 61 1HE MET 61 8.384 3.992 17.669 459 HE2 MET 61 2HE MET 61 8.376 2.520 16.671 460 HE3 MET 61 3HE MET 61 9.801 3.596 16.664 461 H LYS 62 H LYS 62 9.381 7.003 19.013 462 HA LYS 62 HA LYS 62 9.118 8.934 21.240 463 HB2 LYS 62 1HB LYS 62 9.537 9.392 18.278 464 HB3 LYS 62 2HB LYS 62 8.585 10.521 19.208 465 HG2 LYS 62 1HG LYS 62 11.411 9.748 19.873 466 HG3 LYS 62 2HG LYS 62 10.983 11.174 18.924 467 HD2 LYS 62 1HD LYS 62 10.095 12.276 20.750 468 HD3 LYS 62 2HD LYS 62 9.799 10.783 21.659 469 HE2 LYS 62 1HE LYS 62 12.603 11.682 20.911 470 HE3 LYS 62 2HE LYS 62 11.813 12.235 22.407 471 HZ1 LYS 62 1HZ LYS 62 13.241 10.206 22.679 472 HZ2 LYS 62 2HZ LYS 62 12.187 9.352 21.743 473 HZ3 LYS 62 3HZ LYS 62 11.685 9.978 23.177 474 H ASP 63 H ASP 63 7.713 8.430 18.058 475 HA ASP 63 HA ASP 63 5.611 8.243 17.297 476 HB2 ASP 63 1HB ASP 63 6.158 6.029 18.721 477 HB3 ASP 63 2HB ASP 63 4.687 6.542 19.551 478 H LEU 64 H LEU 64 5.859 10.567 18.316 479 HA LEU 64 HA LEU 64 4.131 11.339 20.432 480 HB2 LEU 64 1HB LEU 64 5.691 12.622 18.301 481 HB3 LEU 64 2HB LEU 64 4.209 13.486 18.648 482 HG LEU 64 HG LEU 64 6.094 14.419 19.867 483 HD11 LEU 64 1HD1 LEU 64 5.091 14.531 22.066 484 HD12 LEU 64 2HD1 LEU 64 4.192 13.024 21.789 485 HD13 LEU 64 3HD1 LEU 64 3.800 14.486 20.848 486 HD21 LEU 64 1HD2 LEU 64 7.217 13.206 21.673 487 HD22 LEU 64 2HD2 LEU 64 7.456 12.377 20.121 488 HD23 LEU 64 3HD2 LEU 64 6.289 11.735 21.302 489 H SER 65 H SER 65 2.248 12.736 20.244 490 HA SER 65 HA SER 65 0.044 11.437 19.300 491 HB2 SER 65 1HB SER 65 -0.824 14.020 19.228 492 HB3 SER 65 2HB SER 65 -0.590 13.084 20.719 493 HG SER 65 HG SER 65 0.481 15.088 20.824 494 HA PRO 66 HA PRO 66 -0.087 11.742 15.032 495 HB2 PRO 66 1HB PRO 66 -2.785 11.895 14.447 496 HB3 PRO 66 2HB PRO 66 -1.964 10.398 14.997 497 HG2 PRO 66 1HG PRO 66 -3.473 12.419 16.634 498 HG3 PRO 66 2HG PRO 66 -3.665 10.636 16.583 499 HD2 PRO 66 1HD PRO 66 -2.216 11.779 18.507 500 HD3 PRO 66 2HD PRO 66 -1.615 10.282 17.706 501 H ARG 67 H ARG 67 0.040 13.074 13.434 502 HA ARG 67 HA ARG 67 -1.005 15.846 13.751 503 HB2 ARG 67 1HB ARG 67 1.744 14.758 13.367 504 HB3 ARG 67 2HB ARG 67 1.317 16.146 12.362 505 HG2 ARG 67 1HG ARG 67 1.105 17.561 14.134 506 HG3 ARG 67 2HG ARG 67 0.701 16.262 15.273 507 HD2 ARG 67 1HD ARG 67 2.988 15.490 15.294 508 HD3 ARG 67 2HD ARG 67 3.419 16.653 14.030 509 HE ARG 67 HE ARG 67 3.393 18.404 15.601 510 HH11 ARG 67 1HH1 ARG 67 2.192 15.439 17.161 511 HH12 ARG 67 2HH1 ARG 67 2.291 16.151 18.749 512 HH21 ARG 67 1HH2 ARG 67 3.469 19.226 17.607 513 HH22 ARG 67 2HH2 ARG 67 3.001 18.277 18.999 514 H TRP 68 H TRP 68 -1.335 16.912 11.724 515 HA TRP 68 HA TRP 68 -1.498 15.024 9.410 516 HB2 TRP 68 1HB TRP 68 -3.508 17.088 10.334 517 HB3 TRP 68 2HB TRP 68 -3.558 16.288 8.760 518 HD1 TRP 68 HD1 TRP 68 -3.752 15.346 12.519 519 HE1 TRP 68 HE1 TRP 68 -5.215 13.280 12.802 520 HE3 TRP 68 HE3 TRP 68 -4.530 14.335 7.569 521 HZ2 TRP 68 HZ2 TRP 68 -6.565 11.477 11.110 522 HZ3 TRP 68 HZ3 TRP 68 -5.979 12.403 6.952 523 HH2 TRP 68 HH2 TRP 68 -7.002 10.986 8.733 524 H TYR 69 H TYR 69 -0.600 15.751 7.586 525 HA TYR 69 HA TYR 69 0.227 18.647 7.506 526 HB2 TYR 69 1HB TYR 69 1.399 16.139 6.251 527 HB3 TYR 69 2HB TYR 69 1.865 17.773 5.775 528 HD1 TYR 69 HD1 TYR 69 3.402 19.091 7.098 529 HD2 TYR 69 HD2 TYR 69 1.908 15.352 8.646 530 HE1 TYR 69 HE1 TYR 69 5.147 19.117 8.873 531 HE2 TYR 69 HE2 TYR 69 3.653 15.399 10.419 532 HH TYR 69 HH TYR 69 5.391 16.541 11.336 533 H PHE 70 H PHE 70 -0.159 19.753 5.517 534 HA PHE 70 HA PHE 70 -2.429 18.619 3.996 535 HB2 PHE 70 1HB PHE 70 -2.721 20.864 4.955 536 HB3 PHE 70 2HB PHE 70 -1.266 21.428 4.129 537 HD1 PHE 70 HD1 PHE 70 -4.549 19.755 3.307 538 HD2 PHE 70 HD2 PHE 70 -1.522 22.563 2.102 539 HE1 PHE 70 HE1 PHE 70 -5.904 20.359 1.308 540 HE2 PHE 70 HE2 PHE 70 -2.886 23.189 0.121 541 HZ PHE 70 HZ PHE 70 -5.083 22.089 -0.285 542 H TYR 71 H TYR 71 -2.248 17.990 1.966 543 HA TYR 71 HA TYR 71 0.232 18.689 0.453 544 HB2 TYR 71 1HB TYR 71 -0.766 16.086 1.415 545 HB3 TYR 71 2HB TYR 71 -0.308 16.117 -0.308 546 HD1 TYR 71 HD1 TYR 71 2.049 16.514 -0.967 547 HD2 TYR 71 HD2 TYR 71 0.899 16.395 3.177 548 HE1 TYR 71 HE1 TYR 71 4.454 16.341 -0.303 549 HE2 TYR 71 HE2 TYR 71 3.296 16.202 3.833 550 HH TYR 71 HH TYR 71 5.946 16.131 1.407 551 H TYR 72 H TYR 72 -0.074 18.772 -1.766 552 HA TYR 72 HA TYR 72 -2.795 19.500 -2.499 553 HB2 TYR 72 1HB TYR 72 -0.142 19.652 -3.957 554 HB3 TYR 72 2HB TYR 72 -1.681 20.243 -4.605 555 HD1 TYR 72 HD1 TYR 72 0.971 20.852 -2.087 556 HD2 TYR 72 HD2 TYR 72 -2.830 22.185 -3.612 557 HE1 TYR 72 HE1 TYR 72 1.191 22.997 -0.826 558 HE2 TYR 72 HE2 TYR 72 -2.574 24.314 -2.373 559 HH TYR 72 HH TYR 72 -1.182 25.622 -1.115 560 H LEU 73 H LEU 73 -3.793 18.890 -4.500 561 HA LEU 73 HA LEU 73 -4.176 16.115 -4.753 562 HB2 LEU 73 1HB LEU 73 -5.278 18.429 -5.788 563 HB3 LEU 73 2HB LEU 73 -4.550 17.712 -7.214 564 HG LEU 73 HG LEU 73 -6.725 16.533 -5.465 565 HD11 LEU 73 1HD1 LEU 73 -8.071 16.786 -7.452 566 HD12 LEU 73 2HD1 LEU 73 -6.661 17.279 -8.408 567 HD13 LEU 73 3HD1 LEU 73 -7.276 18.331 -7.118 568 HD21 LEU 73 1HD2 LEU 73 -6.822 14.693 -7.180 569 HD22 LEU 73 2HD2 LEU 73 -5.400 14.628 -6.131 570 HD23 LEU 73 3HD2 LEU 73 -5.250 15.246 -7.797 571 H GLY 74 H GLY 74 -3.163 14.496 -5.842 572 HA2 GLY 74 1HA GLY 74 -1.838 13.453 -7.409 573 HA3 GLY 74 2HA GLY 74 -1.714 14.986 -8.270 574 H THR 75 H THR 75 -0.611 14.503 -4.899 575 HA THR 75 HA THR 75 2.144 15.059 -5.893 576 HB THR 75 HB THR 75 2.607 15.383 -3.378 577 HG1 THR 75 HG1 THR 75 -0.192 15.821 -3.215 578 HG21 THR 75 1HG2 THR 75 1.568 17.660 -3.347 579 HG22 THR 75 2HG2 THR 75 0.689 17.242 -4.836 580 HG23 THR 75 3HG2 THR 75 2.468 17.307 -4.836 581 H GLY 76 H GLY 76 3.848 13.723 -5.340 582 HA2 GLY 76 1HA GLY 76 4.780 11.763 -4.305 583 HA3 GLY 76 2HA GLY 76 3.153 11.061 -4.181 584 HA PRO 77 HA PRO 77 5.221 10.626 -8.494 585 HB2 PRO 77 1HB PRO 77 6.897 8.457 -8.426 586 HB3 PRO 77 2HB PRO 77 7.421 10.114 -8.022 587 HG2 PRO 77 1HG PRO 77 6.594 7.921 -6.145 588 HG3 PRO 77 2HG PRO 77 8.064 8.945 -6.103 589 HD2 PRO 77 1HD PRO 77 5.898 9.529 -4.595 590 HD3 PRO 77 2HD PRO 77 6.876 10.828 -5.363 591 H GLU 78 H GLU 78 4.556 7.844 -6.402 592 HA GLU 78 HA GLU 78 2.887 6.646 -8.581 593 HB2 GLU 78 1HB GLU 78 4.603 5.258 -6.484 594 HB3 GLU 78 2HB GLU 78 3.550 4.434 -7.646 595 HG2 GLU 78 1HG GLU 78 4.896 5.242 -9.517 596 HG3 GLU 78 2HG GLU 78 5.890 6.223 -8.429 597 H ALA 79 H ALA 79 1.996 8.576 -6.741 598 HA ALA 79 HA ALA 79 0.914 7.443 -4.346 599 HB1 ALA 79 1HB ALA 79 1.198 9.863 -4.614 600 HB2 ALA 79 2HB ALA 79 -0.515 9.504 -4.327 601 HB3 ALA 79 3HB ALA 79 0.052 9.891 -5.969 602 H GLY 80 H GLY 80 -0.446 7.872 -7.616 603 HA2 GLY 80 1HA GLY 80 -2.284 6.915 -8.616 604 HA3 GLY 80 2HA GLY 80 -2.164 5.633 -7.402 605 H LEU 81 H LEU 81 -2.681 8.960 -6.364 606 HA LEU 81 HA LEU 81 -5.375 8.131 -5.470 607 HB2 LEU 81 1HB LEU 81 -3.241 9.954 -4.391 608 HB3 LEU 81 2HB LEU 81 -4.904 10.175 -3.934 609 HG LEU 81 HG LEU 81 -3.301 7.679 -3.420 610 HD11 LEU 81 1HD1 LEU 81 -3.324 8.433 -1.081 611 HD12 LEU 81 2HD1 LEU 81 -4.217 9.895 -1.548 612 HD13 LEU 81 3HD1 LEU 81 -2.552 9.641 -2.121 613 HD21 LEU 81 1HD2 LEU 81 -5.179 7.000 -1.980 614 HD22 LEU 81 2HD2 LEU 81 -5.707 7.179 -3.665 615 HD23 LEU 81 3HD2 LEU 81 -6.087 8.442 -2.468 616 HA PRO 82 HA PRO 82 -6.776 11.599 -8.035 617 HB2 PRO 82 1HB PRO 82 -9.252 10.584 -8.518 618 HB3 PRO 82 2HB PRO 82 -7.817 9.982 -9.411 619 HG2 PRO 82 1HG PRO 82 -9.208 8.801 -7.022 620 HG3 PRO 82 2HG PRO 82 -8.640 7.992 -8.506 621 HD2 PRO 82 1HD PRO 82 -7.265 7.970 -6.188 622 HD3 PRO 82 2HD PRO 82 -6.494 7.857 -7.789 623 H TYR 83 H TYR 83 -8.724 13.056 -7.495 624 HA TYR 83 HA TYR 83 -8.839 13.503 -4.689 625 HB2 TYR 83 1HB TYR 83 -9.259 15.236 -6.402 626 HB3 TYR 83 2HB TYR 83 -10.761 14.421 -6.856 627 HD1 TYR 83 HD1 TYR 83 -9.031 16.299 -4.146 628 HD2 TYR 83 HD2 TYR 83 -12.771 14.662 -5.500 629 HE1 TYR 83 HE1 TYR 83 -10.225 17.547 -2.364 630 HE2 TYR 83 HE2 TYR 83 -13.961 15.917 -3.697 631 HH TYR 83 HH TYR 83 -12.219 17.999 -1.372 632 H GLY 84 H GLY 84 -10.119 12.742 -3.112 633 HA2 GLY 84 1HA GLY 84 -12.103 11.927 -2.183 634 HA3 GLY 84 2HA GLY 84 -12.710 11.531 -3.791 635 H ALA 85 H ALA 85 -9.683 10.182 -3.820 636 HA ALA 85 HA ALA 85 -10.737 7.540 -3.506 637 HB1 ALA 85 1HB ALA 85 -8.907 7.791 -4.931 638 HB2 ALA 85 2HB ALA 85 -8.293 6.888 -3.533 639 HB3 ALA 85 3HB ALA 85 -7.936 8.629 -3.703 640 H ASN 86 H ASN 86 -10.980 6.254 -1.829 641 HA ASN 86 HA ASN 86 -10.537 7.327 0.834 642 HB2 ASN 86 1HB ASN 86 -12.534 5.962 0.060 643 HB3 ASN 86 2HB ASN 86 -11.471 4.545 0.036 644 HD21 ASN 86 1HD2 ASN 86 -13.047 4.313 3.269 645 HD22 ASN 86 2HD2 ASN 86 -13.363 4.000 1.579 646 H LYS 87 H LYS 87 -8.866 6.975 2.173 647 HA LYS 87 HA LYS 87 -7.293 4.505 2.045 648 HB2 LYS 87 1HB LYS 87 -6.249 5.871 0.293 649 HB3 LYS 87 2HB LYS 87 -6.078 7.213 1.404 650 HG2 LYS 87 1HG LYS 87 -4.338 6.209 2.608 651 HG3 LYS 87 2HG LYS 87 -4.771 4.569 2.067 652 HD2 LYS 87 1HD LYS 87 -3.754 6.711 0.198 653 HD3 LYS 87 2HD LYS 87 -2.668 5.603 1.047 654 HE2 LYS 87 1HE LYS 87 -4.971 4.624 -0.686 655 HE3 LYS 87 2HE LYS 87 -3.362 4.959 -1.353 656 HZ1 LYS 87 1HZ LYS 87 -3.954 2.998 0.786 657 HZ2 LYS 87 2HZ LYS 87 -2.460 3.302 0.156 658 HZ3 LYS 87 3HZ LYS 87 -3.634 2.632 -0.789 659 H ASP 88 H ASP 88 -6.016 4.272 3.956 660 HA ASP 88 HA ASP 88 -7.156 5.433 6.311 661 HB2 ASP 88 1HB ASP 88 -6.031 3.254 6.371 662 HB3 ASP 88 2HB ASP 88 -4.505 4.008 5.876 663 H GLY 89 H GLY 89 -6.698 7.218 7.440 664 HA2 GLY 89 1HA GLY 89 -5.595 9.096 8.159 665 HA3 GLY 89 2HA GLY 89 -4.106 8.422 7.485 666 H ILE 90 H ILE 90 -6.871 8.896 5.371 667 HA ILE 90 HA ILE 90 -5.595 11.378 4.302 668 HB ILE 90 HB ILE 90 -6.786 9.082 2.669 669 HG12 ILE 90 1HG1 ILE 90 -4.549 8.542 3.559 670 HG13 ILE 90 2HG1 ILE 90 -4.565 8.681 1.809 671 HG21 ILE 90 1HG2 ILE 90 -5.885 10.439 0.692 672 HG22 ILE 90 2HG2 ILE 90 -5.655 11.791 1.828 673 HG23 ILE 90 3HG2 ILE 90 -7.280 11.146 1.526 674 HD11 ILE 90 1HD1 ILE 90 -3.675 10.978 3.539 675 HD12 ILE 90 2HD1 ILE 90 -3.369 10.671 1.812 676 HD13 ILE 90 3HD1 ILE 90 -2.590 9.651 3.038 677 H ILE 91 H ILE 91 -6.927 13.013 4.127 678 HA ILE 91 HA ILE 91 -9.824 12.462 3.649 679 HB ILE 91 HB ILE 91 -10.390 14.423 5.130 680 HG12 ILE 91 1HG1 ILE 91 -8.013 14.167 6.822 681 HG13 ILE 91 2HG1 ILE 91 -7.601 14.753 5.241 682 HG21 ILE 91 1HG2 ILE 91 -10.356 13.164 7.231 683 HG22 ILE 91 2HG2 ILE 91 -9.095 12.078 6.597 684 HG23 ILE 91 3HG2 ILE 91 -10.722 12.068 5.880 685 HD11 ILE 91 1HD1 ILE 91 -8.103 16.604 6.773 686 HD12 ILE 91 2HD1 ILE 91 -9.755 15.986 6.973 687 HD13 ILE 91 3HD1 ILE 91 -9.196 16.568 5.382 688 H TRP 92 H TRP 92 -10.532 13.523 1.903 689 HA TRP 92 HA TRP 92 -8.722 15.492 0.677 690 HB2 TRP 92 1HB TRP 92 -11.268 14.169 -0.300 691 HB3 TRP 92 2HB TRP 92 -10.257 15.259 -1.249 692 HD1 TRP 92 HD1 TRP 92 -10.301 11.714 0.155 693 HE1 TRP 92 HE1 TRP 92 -8.487 10.295 -0.896 694 HE3 TRP 92 HE3 TRP 92 -7.923 15.447 -2.418 695 HZ2 TRP 92 HZ2 TRP 92 -6.250 10.719 -2.593 696 HZ3 TRP 92 HZ3 TRP 92 -5.907 14.854 -3.782 697 HH2 TRP 92 HH2 TRP 92 -5.087 12.493 -3.870 698 H VAL 93 H VAL 93 -9.131 17.610 0.305 699 HA VAL 93 HA VAL 93 -11.771 18.705 1.168 700 HB VAL 93 HB VAL 93 -10.560 20.651 2.223 701 HG11 VAL 93 1HG1 VAL 93 -10.057 19.533 4.333 702 HG12 VAL 93 2HG1 VAL 93 -9.966 17.957 3.514 703 HG13 VAL 93 3HG1 VAL 93 -11.514 18.833 3.601 704 HG21 VAL 93 1HG2 VAL 93 -8.210 20.434 2.880 705 HG22 VAL 93 2HG2 VAL 93 -8.338 20.306 1.113 706 HG23 VAL 93 3HG2 VAL 93 -8.099 18.842 2.097 707 H ALA 94 H ALA 94 -12.267 20.751 0.186 708 HA ALA 94 HA ALA 94 -10.559 21.842 -1.900 709 HB1 ALA 94 1HB ALA 94 -11.509 19.822 -3.082 710 HB2 ALA 94 2HB ALA 94 -12.108 21.344 -3.773 711 HB3 ALA 94 3HB ALA 94 -13.146 20.390 -2.689 712 H THR 95 H THR 95 -11.807 23.671 -2.927 713 HA THR 95 HA THR 95 -14.123 24.586 -1.291 714 HB THR 95 HB THR 95 -11.978 25.808 -0.607 715 HG1 THR 95 HG1 THR 95 -13.021 27.892 -0.913 716 HG21 THR 95 1HG2 THR 95 -11.005 25.857 -2.953 717 HG22 THR 95 2HG2 THR 95 -10.998 27.409 -2.098 718 HG23 THR 95 3HG2 THR 95 -12.217 27.097 -3.352 719 H GLU 96 H GLU 96 -15.237 26.390 -2.664 720 HA GLU 96 HA GLU 96 -15.868 25.189 -5.184 721 HB2 GLU 96 1HB GLU 96 -17.398 26.546 -3.735 722 HB3 GLU 96 2HB GLU 96 -16.514 27.998 -4.218 723 HG2 GLU 96 1HG GLU 96 -17.178 27.695 -6.531 724 HG3 GLU 96 2HG GLU 96 -17.893 26.115 -6.160 725 H GLY 97 H GLY 97 -15.156 25.577 -7.200 726 HA2 GLY 97 1HA GLY 97 -14.236 26.865 -8.945 727 HA3 GLY 97 2HA GLY 97 -13.548 27.985 -7.765 728 H ALA 98 H ALA 98 -12.630 25.261 -6.381 729 HA ALA 98 HA ALA 98 -9.956 25.393 -7.409 730 HB1 ALA 98 1HB ALA 98 -10.595 24.750 -5.096 731 HB2 ALA 98 2HB ALA 98 -9.500 23.598 -5.888 732 HB3 ALA 98 3HB ALA 98 -11.237 23.219 -5.742 733 H LEU 99 H LEU 99 -8.894 24.132 -8.949 734 HA LEU 99 HA LEU 99 -10.683 22.550 -10.679 735 HB2 LEU 99 1HB LEU 99 -7.820 23.426 -10.948 736 HB3 LEU 99 2HB LEU 99 -8.578 22.323 -12.064 737 HG LEU 99 HG LEU 99 -9.344 25.222 -11.651 738 HD11 LEU 99 1HD1 LEU 99 -8.469 25.371 -13.973 739 HD12 LEU 99 2HD1 LEU 99 -8.038 23.641 -13.904 740 HD13 LEU 99 3HD1 LEU 99 -7.231 24.812 -12.828 741 HD21 LEU 99 1HD2 LEU 99 -10.822 24.849 -13.637 742 HD22 LEU 99 2HD2 LEU 99 -11.374 23.981 -12.196 743 HD23 LEU 99 3HD2 LEU 99 -10.530 23.100 -13.497 744 H ASN 100 H ASN 100 -10.764 20.526 -10.904 745 HA ASN 100 HA ASN 100 -9.253 18.770 -9.112 746 HB2 ASN 100 1HB ASN 100 -11.689 18.467 -9.530 747 HB3 ASN 100 2HB ASN 100 -11.340 18.118 -11.229 748 HD21 ASN 100 1HD2 ASN 100 -11.331 14.749 -10.350 749 HD22 ASN 100 2HD2 ASN 100 -12.065 16.039 -11.267 750 H THR 101 H THR 101 -7.172 19.367 -10.137 751 HA THR 101 HA THR 101 -6.527 17.385 -12.250 752 HB THR 101 HB THR 101 -6.950 19.838 -13.196 753 HG1 THR 101 HG1 THR 101 -5.242 19.489 -14.678 754 HG21 THR 101 1HG2 THR 101 -5.025 21.300 -13.142 755 HG22 THR 101 2HG2 THR 101 -4.095 20.117 -12.190 756 HG23 THR 101 3HG2 THR 101 -5.502 20.949 -11.468 757 HA PRO 102 HA PRO 102 -3.179 16.924 -9.378 758 HB2 PRO 102 1HB PRO 102 -1.071 16.250 -10.996 759 HB3 PRO 102 2HB PRO 102 -2.387 15.095 -10.588 760 HG2 PRO 102 1HG PRO 102 -2.032 16.817 -13.034 761 HG3 PRO 102 2HG PRO 102 -2.444 15.077 -12.930 762 HD2 PRO 102 1HD PRO 102 -4.327 16.930 -13.322 763 HD3 PRO 102 2HD PRO 102 -4.629 15.513 -12.263 764 H LYS 103 H LYS 103 -1.495 18.137 -8.475 765 HA LYS 103 HA LYS 103 -0.140 20.126 -10.186 766 HB2 LYS 103 1HB LYS 103 -0.668 21.965 -8.569 767 HB3 LYS 103 2HB LYS 103 -1.980 21.421 -9.592 768 HG2 LYS 103 1HG LYS 103 -2.681 19.950 -7.510 769 HG3 LYS 103 2HG LYS 103 -1.653 21.083 -6.618 770 HD2 LYS 103 1HD LYS 103 -3.814 22.043 -6.511 771 HD3 LYS 103 2HD LYS 103 -3.001 22.946 -7.806 772 HE2 LYS 103 1HE LYS 103 -4.059 21.311 -9.458 773 HE3 LYS 103 2HE LYS 103 -4.991 20.659 -8.108 774 HZ1 LYS 103 1HZ LYS 103 -6.337 22.212 -9.215 775 HZ2 LYS 103 2HZ LYS 103 -5.167 23.383 -9.258 776 HZ3 LYS 103 3HZ LYS 103 -5.881 22.967 -7.828 777 H ASP 104 H ASP 104 1.131 18.081 -9.518 778 HA ASP 104 HA ASP 104 2.330 17.831 -6.975 779 HB2 ASP 104 1HB ASP 104 4.006 16.519 -8.106 780 HB3 ASP 104 2HB ASP 104 2.452 16.196 -8.890 781 H HIS 105 H HIS 105 3.017 19.979 -9.661 782 HA HIS 105 HA HIS 105 5.635 20.791 -8.943 783 HB2 HIS 105 1HB HIS 105 5.355 22.546 -10.504 784 HB3 HIS 105 2HB HIS 105 4.408 21.187 -11.127 785 HD1 HIS 105 HD1 HIS 105 4.085 24.678 -9.682 786 HD2 HIS 105 HD2 HIS 105 1.593 21.646 -11.159 787 HE1 HIS 105 HE1 HIS 105 1.776 25.713 -10.029 788 H ILE 106 H ILE 106 2.800 21.357 -7.181 789 HA ILE 106 HA ILE 106 3.844 23.901 -6.054 790 HB ILE 106 HB ILE 106 1.271 22.417 -5.353 791 HG12 ILE 106 1HG1 ILE 106 1.793 24.667 -7.335 792 HG13 ILE 106 2HG1 ILE 106 1.289 23.024 -7.726 793 HG21 ILE 106 1HG2 ILE 106 0.598 24.559 -4.315 794 HG22 ILE 106 2HG2 ILE 106 2.104 25.336 -4.853 795 HG23 ILE 106 3HG2 ILE 106 2.144 24.051 -3.623 796 HD11 ILE 106 1HD1 ILE 106 -0.630 24.313 -7.913 797 HD12 ILE 106 2HD1 ILE 106 -0.294 25.190 -6.407 798 HD13 ILE 106 3HD1 ILE 106 -0.787 23.479 -6.349 799 H GLY 107 H GLY 107 3.012 20.528 -5.157 800 HA2 GLY 107 1HA GLY 107 3.773 20.815 -2.409 801 HA3 GLY 107 2HA GLY 107 3.495 19.306 -3.274 802 H THR 108 H THR 108 5.904 21.321 -4.656 803 HA THR 108 HA THR 108 7.988 19.429 -3.756 804 HB THR 108 HB THR 108 7.625 19.802 -6.200 805 HG1 THR 108 HG1 THR 108 10.101 20.682 -5.101 806 HG21 THR 108 1HG2 THR 108 7.025 22.254 -6.022 807 HG22 THR 108 2HG2 THR 108 8.228 21.874 -7.270 808 HG23 THR 108 3HG2 THR 108 8.744 22.594 -5.732 809 H ARG 109 H ARG 109 6.944 21.675 -1.995 810 HA ARG 109 HA ARG 109 8.899 23.758 -1.881 811 HB2 ARG 109 1HB ARG 109 6.754 23.749 -0.541 812 HB3 ARG 109 2HB ARG 109 7.467 22.499 0.486 813 HG2 ARG 109 1HG ARG 109 9.371 24.121 0.979 814 HG3 ARG 109 2HG ARG 109 8.442 25.363 0.135 815 HD2 ARG 109 1HD ARG 109 8.113 25.556 2.538 816 HD3 ARG 109 2HD ARG 109 6.605 25.070 1.759 817 HE ARG 109 HE ARG 109 6.671 23.029 2.853 818 HH11 ARG 109 1HH1 ARG 109 9.802 24.634 3.409 819 HH12 ARG 109 2HH1 ARG 109 10.227 23.491 4.648 820 HH21 ARG 109 1HH2 ARG 109 7.285 21.692 4.427 821 HH22 ARG 109 2HH2 ARG 109 8.846 21.848 5.210 822 H ASN 110 H ASN 110 10.974 23.740 -1.341 823 HA ASN 110 HA ASN 110 12.092 21.194 -0.260 824 HB2 ASN 110 1HB ASN 110 13.057 23.360 -2.072 825 HB3 ASN 110 2HB ASN 110 14.255 22.710 -0.949 826 HD21 ASN 110 1HD2 ASN 110 14.922 20.347 -3.437 827 HD22 ASN 110 2HD2 ASN 110 15.468 21.780 -2.605 828 HA PRO 111 HA PRO 111 12.258 23.557 3.467 829 HB2 PRO 111 1HB PRO 111 13.804 21.960 5.057 830 HB3 PRO 111 2HB PRO 111 12.116 21.547 4.613 831 HG2 PRO 111 1HG PRO 111 14.678 20.624 3.323 832 HG3 PRO 111 2HG PRO 111 13.296 19.643 3.913 833 HD2 PRO 111 1HD PRO 111 13.519 20.303 1.319 834 HD3 PRO 111 2HD PRO 111 11.915 20.305 2.131 835 H ALA 112 H ALA 112 15.160 22.633 1.735 836 HA ALA 112 HA ALA 112 16.974 24.249 3.314 837 HB1 ALA 112 1HB ALA 112 17.740 22.332 1.932 838 HB2 ALA 112 2HB ALA 112 18.532 23.847 1.444 839 HB3 ALA 112 3HB ALA 112 17.207 23.189 0.459 840 H ASN 113 H ASN 113 14.686 24.839 0.760 841 HA ASN 113 HA ASN 113 15.966 27.432 0.079 842 HB2 ASN 113 1HB ASN 113 13.701 25.891 -1.245 843 HB3 ASN 113 2HB ASN 113 14.351 27.435 -1.809 844 HD21 ASN 113 1HD2 ASN 113 15.908 24.470 -3.567 845 HD22 ASN 113 2HD2 ASN 113 14.249 24.840 -3.157 846 H ASN 114 H ASN 114 13.162 26.111 1.743 847 HA ASN 114 HA ASN 114 12.348 28.823 2.494 848 HB2 ASN 114 1HB ASN 114 11.203 28.666 0.382 849 HB3 ASN 114 2HB ASN 114 10.567 27.054 0.787 850 HD21 ASN 114 1HD2 ASN 114 7.820 28.303 2.445 851 HD22 ASN 114 2HD2 ASN 114 8.596 27.049 1.509 852 H ALA 115 H ALA 115 10.932 28.943 4.224 853 HA ALA 115 HA ALA 115 10.790 26.483 5.861 854 HB1 ALA 115 1HB ALA 115 11.692 28.560 6.859 855 HB2 ALA 115 2HB ALA 115 10.205 28.040 7.687 856 HB3 ALA 115 3HB ALA 115 10.148 29.388 6.529 857 H ALA 116 H ALA 116 8.871 25.744 6.821 858 HA ALA 116 HA ALA 116 6.518 25.859 5.185 859 HB1 ALA 116 1HB ALA 116 7.184 23.843 6.493 860 HB2 ALA 116 2HB ALA 116 5.534 24.376 6.873 861 HB3 ALA 116 3HB ALA 116 6.862 24.734 8.001 862 H ILE 117 H ILE 117 4.510 26.696 5.596 863 HA ILE 117 HA ILE 117 4.473 29.200 7.140 864 HB ILE 117 HB ILE 117 2.350 27.831 5.434 865 HG12 ILE 117 1HG1 ILE 117 3.892 30.228 4.493 866 HG13 ILE 117 2HG1 ILE 117 4.657 28.647 4.384 867 HG21 ILE 117 1HG2 ILE 117 1.335 30.119 5.269 868 HG22 ILE 117 2HG2 ILE 117 2.547 30.718 6.425 869 HG23 ILE 117 3HG2 ILE 117 1.339 29.510 6.929 870 HD11 ILE 117 1HD1 ILE 117 3.551 29.159 2.297 871 HD12 ILE 117 2HD1 ILE 117 2.004 29.399 3.143 872 HD13 ILE 117 3HD1 ILE 117 2.749 27.784 3.089 873 H VAL 118 H VAL 118 3.343 29.476 9.112 874 HA VAL 118 HA VAL 118 2.350 27.201 10.610 875 HB VAL 118 HB VAL 118 1.788 30.211 10.897 876 HG11 VAL 118 1HG1 VAL 118 1.096 29.636 13.225 877 HG12 VAL 118 2HG1 VAL 118 1.208 27.910 12.808 878 HG13 VAL 118 3HG1 VAL 118 0.011 28.951 11.999 879 HG21 VAL 118 1HG2 VAL 118 3.446 30.089 12.742 880 HG22 VAL 118 2HG2 VAL 118 4.172 29.638 11.188 881 HG23 VAL 118 3HG2 VAL 118 3.738 28.374 12.364 882 H LEU 119 H LEU 119 0.515 26.120 10.223 883 HA LEU 119 HA LEU 119 -1.234 26.871 8.090 884 HB2 LEU 119 1HB LEU 119 -0.556 24.585 8.947 885 HB3 LEU 119 2HB LEU 119 -1.730 24.789 10.233 886 HG LEU 119 HG LEU 119 -2.605 25.033 7.345 887 HD11 LEU 119 1HD1 LEU 119 -2.897 22.637 7.207 888 HD12 LEU 119 2HD1 LEU 119 -2.261 22.417 8.857 889 HD13 LEU 119 3HD1 LEU 119 -1.202 22.983 7.558 890 HD21 LEU 119 1HD2 LEU 119 -4.672 23.923 8.378 891 HD22 LEU 119 2HD2 LEU 119 -4.322 25.543 8.969 892 HD23 LEU 119 3HD2 LEU 119 -3.900 24.139 9.957 893 H GLN 120 H GLN 120 -3.152 27.847 8.011 894 HA GLN 120 HA GLN 120 -4.662 28.445 10.524 895 HB2 GLN 120 1HB GLN 120 -3.981 30.337 8.257 896 HB3 GLN 120 2HB GLN 120 -5.193 30.671 9.502 897 HG2 GLN 120 1HG GLN 120 -3.555 30.746 11.206 898 HG3 GLN 120 2HG GLN 120 -2.323 30.098 10.127 899 HE21 GLN 120 1HE2 GLN 120 -1.442 33.172 8.762 900 HE22 GLN 120 2HE2 GLN 120 -1.187 31.440 8.812 901 H LEU 121 H LEU 121 -6.935 28.912 10.028 902 HA LEU 121 HA LEU 121 -7.827 27.708 7.432 903 HB2 LEU 121 1HB LEU 121 -8.968 27.642 10.216 904 HB3 LEU 121 2HB LEU 121 -10.054 27.603 8.839 905 HG LEU 121 HG LEU 121 -7.897 25.563 9.406 906 HD11 LEU 121 1HD1 LEU 121 -9.938 24.132 9.850 907 HD12 LEU 121 2HD1 LEU 121 -10.922 25.607 9.737 908 HD13 LEU 121 3HD1 LEU 121 -9.699 25.454 11.011 909 HD21 LEU 121 1HD2 LEU 121 -10.067 25.672 7.247 910 HD22 LEU 121 2HD2 LEU 121 -9.102 24.226 7.632 911 HD23 LEU 121 3HD2 LEU 121 -8.310 25.670 6.988 912 HA PRO 122 HA PRO 122 -9.338 31.728 6.625 913 HB2 PRO 122 1HB PRO 122 -11.315 31.291 4.806 914 HB3 PRO 122 2HB PRO 122 -9.580 30.986 4.430 915 HG2 PRO 122 1HG PRO 122 -11.687 29.043 5.345 916 HG3 PRO 122 2HG PRO 122 -10.595 28.929 3.930 917 HD2 PRO 122 1HD PRO 122 -10.015 27.700 6.242 918 HD3 PRO 122 2HD PRO 122 -8.726 28.477 5.260 919 H GLN 123 H GLN 123 -11.235 33.151 6.698 920 HA GLN 123 HA GLN 123 -12.644 32.936 9.106 921 HB2 GLN 123 1HB GLN 123 -12.260 35.007 7.747 922 HB3 GLN 123 2HB GLN 123 -13.470 34.441 6.590 923 HG2 GLN 123 1HG GLN 123 -15.197 34.531 8.347 924 HG3 GLN 123 2HG GLN 123 -13.983 35.090 9.512 925 HE21 GLN 123 1HE2 GLN 123 -15.917 37.762 7.322 926 HE22 GLN 123 2HE2 GLN 123 -16.440 36.122 7.619 927 H GLY 124 H GLY 124 -14.396 31.871 9.760 928 HA2 GLY 124 1HA GLY 124 -16.597 31.019 9.494 929 HA3 GLY 124 2HA GLY 124 -16.347 30.898 7.748 930 H THR 125 H THR 125 -13.547 29.623 8.526 931 HA THR 125 HA THR 125 -14.714 26.907 8.991 932 HB THR 125 HB THR 125 -11.973 27.485 7.810 933 HG1 THR 125 HG1 THR 125 -13.569 28.461 6.500 934 HG21 THR 125 1HG2 THR 125 -12.564 25.148 8.637 935 HG22 THR 125 2HG2 THR 125 -12.199 25.242 6.906 936 HG23 THR 125 3HG2 THR 125 -13.877 25.127 7.459 937 H THR 126 H THR 126 -14.265 25.926 10.858 938 HA THR 126 HA THR 126 -11.931 26.893 12.446 939 HB THR 126 HB THR 126 -13.418 26.203 14.454 940 HG1 THR 126 HG1 THR 126 -15.670 26.420 13.955 941 HG21 THR 126 1HG2 THR 126 -12.838 28.547 13.885 942 HG22 THR 126 2HG2 THR 126 -14.486 28.404 14.537 943 HG23 THR 126 3HG2 THR 126 -14.239 28.615 12.789 944 H LEU 127 H LEU 127 -10.844 25.344 13.648 945 HA LEU 127 HA LEU 127 -10.764 22.716 12.455 946 HB2 LEU 127 1HB LEU 127 -9.580 23.737 15.042 947 HB3 LEU 127 2HB LEU 127 -9.167 22.218 14.302 948 HG LEU 127 HG LEU 127 -8.617 24.901 13.012 949 HD11 LEU 127 1HD1 LEU 127 -6.292 24.571 13.717 950 HD12 LEU 127 2HD1 LEU 127 -6.749 23.079 14.574 951 HD13 LEU 127 3HD1 LEU 127 -7.370 24.651 15.128 952 HD21 LEU 127 1HD2 LEU 127 -7.553 22.108 12.426 953 HD22 LEU 127 2HD2 LEU 127 -7.138 23.606 11.557 954 HD23 LEU 127 3HD2 LEU 127 -8.780 22.958 11.466 955 HA PRO 128 HA PRO 128 -13.706 20.809 15.117 956 HB2 PRO 128 1HB PRO 128 -12.904 18.204 15.211 957 HB3 PRO 128 2HB PRO 128 -13.562 18.951 13.722 958 HG2 PRO 128 1HG PRO 128 -10.736 18.460 14.510 959 HG3 PRO 128 2HG PRO 128 -11.543 18.157 12.949 960 HD2 PRO 128 1HD PRO 128 -9.984 20.359 13.476 961 HD3 PRO 128 2HD PRO 128 -11.331 20.394 12.306 962 H LYS 129 H LYS 129 -13.879 19.541 17.224 963 HA LYS 129 HA LYS 129 -12.307 20.903 19.154 964 HB2 LYS 129 1HB LYS 129 -14.631 19.951 19.431 965 HB3 LYS 129 2HB LYS 129 -13.897 18.349 19.590 966 HG2 LYS 129 1HG LYS 129 -12.699 19.070 21.599 967 HG3 LYS 129 2HG LYS 129 -13.300 20.727 21.387 968 HD2 LYS 129 1HD LYS 129 -15.630 19.882 21.615 969 HD3 LYS 129 2HD LYS 129 -14.985 18.259 21.940 970 HE2 LYS 129 1HE LYS 129 -13.786 19.122 23.918 971 HE3 LYS 129 2HE LYS 129 -14.378 20.760 23.574 972 HZ1 LYS 129 1HZ LYS 129 -16.635 19.957 23.913 973 HZ2 LYS 129 2HZ LYS 129 -15.722 19.672 25.257 974 HZ3 LYS 129 3HZ LYS 129 -16.092 18.432 24.235 975 H GLY 130 H GLY 130 -10.429 20.504 20.101 976 HA2 GLY 130 1HA GLY 130 -8.784 19.129 21.094 977 HA3 GLY 130 2HA GLY 130 -9.340 17.760 20.129 978 H PHE 131 H PHE 131 -9.160 20.162 17.892 979 HA PHE 131 HA PHE 131 -6.422 19.373 17.151 980 HB2 PHE 131 1HB PHE 131 -8.912 19.985 15.727 981 HB3 PHE 131 2HB PHE 131 -7.514 20.841 15.083 982 HD1 PHE 131 HD1 PHE 131 -5.583 19.624 14.203 983 HD2 PHE 131 HD2 PHE 131 -9.126 17.586 15.496 984 HE1 PHE 131 HE1 PHE 131 -4.867 17.590 12.946 985 HE2 PHE 131 HE2 PHE 131 -8.438 15.569 14.223 986 HZ PHE 131 HZ PHE 131 -6.308 15.575 12.957 987 H TYR 132 H TYR 132 -4.888 20.778 16.800 988 HA TYR 132 HA TYR 132 -5.440 23.676 16.764 989 HB2 TYR 132 1HB TYR 132 -3.666 24.175 18.388 990 HB3 TYR 132 2HB TYR 132 -5.002 23.289 19.120 991 HD1 TYR 132 HD1 TYR 132 -4.712 20.870 19.771 992 HD2 TYR 132 HD2 TYR 132 -1.416 23.233 18.309 993 HE1 TYR 132 HE1 TYR 132 -3.107 19.235 20.739 994 HE2 TYR 132 HE2 TYR 132 0.184 21.582 19.286 995 HH TYR 132 HH TYR 132 -0.937 18.733 21.138 996 H ALA 133 H ALA 133 -3.413 24.866 16.067 997 HA ALA 133 HA ALA 133 -2.082 23.201 13.995 998 HB1 ALA 133 1HB ALA 133 -3.351 25.155 13.181 999 HB2 ALA 133 2HB ALA 133 -1.612 25.364 12.883 1000 HB3 ALA 133 3HB ALA 133 -2.391 26.223 14.227 1001 H GLU 134 H GLU 134 0.125 23.199 13.693 1002 HA GLU 134 HA GLU 134 1.695 23.495 16.107 1003 HB2 GLU 134 1HB GLU 134 2.117 21.782 14.378 1004 HB3 GLU 134 2HB GLU 134 2.449 23.044 13.207 1005 HG2 GLU 134 1HG GLU 134 4.536 22.259 13.820 1006 HG3 GLU 134 2HG GLU 134 4.347 23.774 14.714 1007 H GLY 135 H GLY 135 2.791 25.225 16.815 1008 HA2 GLY 135 1HA GLY 135 4.104 27.167 16.608 1009 HA3 GLY 135 2HA GLY 135 3.607 27.332 14.921 1010 H SER 136 H SER 136 0.697 27.101 15.586 1011 HA SER 136 HA SER 136 0.330 29.923 16.185 1012 HB2 SER 136 1HB SER 136 -1.010 28.773 14.438 1013 HB3 SER 136 2HB SER 136 -1.719 27.730 15.692 1014 HG SER 136 HG SER 136 -2.919 29.708 15.053 1015 H ARG 137 H ARG 137 -0.480 30.789 17.948 1016 HA ARG 137 HA ARG 137 -0.937 29.044 20.334 1017 HB2 ARG 137 1HB ARG 137 -0.426 32.030 20.025 1018 HB3 ARG 137 2HB ARG 137 -0.859 31.260 21.554 1019 HG2 ARG 137 1HG ARG 137 1.318 31.054 21.897 1020 HG3 ARG 137 2HG ARG 137 1.248 29.709 20.747 1021 HD2 ARG 137 1HD ARG 137 2.011 31.096 18.944 1022 HD3 ARG 137 2HD ARG 137 1.722 32.577 19.879 1023 HE ARG 137 HE ARG 137 3.688 32.252 21.078 1024 HH11 ARG 137 1HH1 ARG 137 3.194 29.466 18.942 1025 HH12 ARG 137 2HH1 ARG 137 4.793 28.848 19.258 1026 HH21 ARG 137 1HH2 ARG 137 5.704 31.399 21.396 1027 HH22 ARG 137 2HH2 ARG 137 6.194 29.937 20.583 1028 H GLY 138 H GLY 138 -2.619 30.498 17.873 1029 HA2 GLY 138 1HA GLY 138 -4.941 30.791 17.647 1030 HA3 GLY 138 2HA GLY 138 -5.136 30.564 19.406 1031 H GLY 139 H GLY 139 -6.528 32.676 18.445 1032 HA2 GLY 139 1HA GLY 139 -6.156 34.880 19.793 1033 HA3 GLY 139 2HA GLY 139 -4.778 35.063 18.683 1034 H SER 140 H SER 140 -5.755 36.970 17.824 1035 HA SER 140 HA SER 140 -7.894 36.395 15.818 1036 HB2 SER 140 1HB SER 140 -8.644 38.742 16.176 1037 HB3 SER 140 2HB SER 140 -8.841 37.767 17.653 1038 HG SER 140 HG SER 140 -6.465 39.216 17.170 Start of MODEL 26 1 H1 GLY 1 1H GLY 1 24.151 5.853 8.053 2 H2 GLY 1 2H GLY 1 23.099 5.869 9.324 3 H3 GLY 1 3H GLY 1 23.231 7.190 8.349 4 HA2 GLY 1 1HA GLY 1 22.351 5.979 6.481 5 HA3 GLY 1 2HA GLY 1 22.220 4.553 7.528 6 H ALA 2 H ALA 2 19.913 5.252 6.336 7 HA ALA 2 HA ALA 2 18.270 6.137 8.608 8 HB1 ALA 2 1HB ALA 2 18.757 8.295 7.426 9 HB2 ALA 2 2HB ALA 2 17.056 7.820 7.217 10 HB3 ALA 2 3HB ALA 2 18.216 7.569 5.891 11 H MET 3 H MET 3 15.915 5.683 7.928 12 HA MET 3 HA MET 3 15.815 3.590 5.815 13 HB2 MET 3 1HB MET 3 14.166 2.375 7.301 14 HB3 MET 3 2HB MET 3 15.865 2.276 7.753 15 HG2 MET 3 1HG MET 3 13.960 4.234 9.076 16 HG3 MET 3 2HG MET 3 14.164 2.572 9.632 17 HE1 MET 3 1HE MET 3 16.196 4.136 12.502 18 HE2 MET 3 2HE MET 3 15.038 2.877 12.015 19 HE3 MET 3 3HE MET 3 14.602 4.598 11.858 20 H GLY 4 H GLY 4 14.586 4.254 4.272 21 HA2 GLY 4 1HA GLY 4 12.074 4.658 3.854 22 HA3 GLY 4 2HA GLY 4 12.338 6.121 4.842 23 H LEU 5 H LEU 5 12.032 5.252 1.731 24 HA LEU 5 HA LEU 5 14.423 6.353 0.552 25 HB2 LEU 5 1HB LEU 5 11.712 5.546 -0.473 26 HB3 LEU 5 2HB LEU 5 12.764 6.518 -1.483 27 HG LEU 5 HG LEU 5 14.524 4.755 -1.317 28 HD11 LEU 5 1HD1 LEU 5 13.818 2.457 -0.668 29 HD12 LEU 5 2HD1 LEU 5 12.297 3.117 -0.029 30 HD13 LEU 5 3HD1 LEU 5 13.853 3.565 0.713 31 HD21 LEU 5 1HD2 LEU 5 13.411 3.263 -2.929 32 HD22 LEU 5 2HD2 LEU 5 13.010 4.964 -3.243 33 HD23 LEU 5 3HD2 LEU 5 11.825 3.906 -2.439 34 HA PRO 6 HA PRO 6 13.141 10.579 0.834 35 HB2 PRO 6 1HB PRO 6 14.910 11.803 -0.811 36 HB3 PRO 6 2HB PRO 6 15.450 11.013 0.708 37 HG2 PRO 6 1HG PRO 6 15.481 9.935 -2.107 38 HG3 PRO 6 2HG PRO 6 16.808 9.975 -0.904 39 HD2 PRO 6 1HD PRO 6 15.229 7.772 -1.308 40 HD3 PRO 6 2HD PRO 6 15.925 8.182 0.299 41 H ASN 7 H ASN 7 12.114 12.252 -0.381 42 HA ASN 7 HA ASN 7 11.607 11.787 -3.257 43 HB2 ASN 7 1HB ASN 7 9.731 10.697 -1.946 44 HB3 ASN 7 2HB ASN 7 9.322 12.299 -1.311 45 HD21 ASN 7 1HD2 ASN 7 8.922 11.984 -5.387 46 HD22 ASN 7 2HD2 ASN 7 10.396 11.461 -4.612 47 H ASN 8 H ASN 8 11.556 13.784 -0.411 48 HA ASN 8 HA ASN 8 12.040 15.952 -0.017 49 HB2 ASN 8 1HB ASN 8 13.819 15.457 -1.794 50 HB3 ASN 8 2HB ASN 8 12.760 16.307 -2.929 51 HD21 ASN 8 1HD2 ASN 8 14.129 19.341 -2.074 52 HD22 ASN 8 2HD2 ASN 8 13.525 18.247 -3.282 53 H THR 9 H THR 9 9.392 15.121 -0.812 54 HA THR 9 HA THR 9 8.349 17.668 -1.941 55 HB THR 9 HB THR 9 6.280 16.315 -2.359 56 HG1 THR 9 HG1 THR 9 7.196 13.893 -2.386 57 HG21 THR 9 1HG2 THR 9 7.206 15.076 -4.264 58 HG22 THR 9 2HG2 THR 9 8.832 15.126 -3.535 59 HG23 THR 9 3HG2 THR 9 8.055 16.630 -4.103 60 H ALA 10 H ALA 10 8.503 18.840 -0.070 61 HA ALA 10 HA ALA 10 7.355 17.703 2.386 62 HB1 ALA 10 1HB ALA 10 8.418 19.544 3.510 63 HB2 ALA 10 2HB ALA 10 8.710 20.394 1.974 64 HB3 ALA 10 3HB ALA 10 9.589 18.893 2.345 65 H SER 11 H SER 11 5.564 18.373 3.341 66 HA SER 11 HA SER 11 3.471 19.645 1.943 67 HB2 SER 11 1HB SER 11 2.990 20.104 4.646 68 HB3 SER 11 2HB SER 11 2.546 18.637 3.747 69 HG SER 11 HG SER 11 3.929 18.445 5.741 70 H TRP 12 H TRP 12 2.800 21.761 1.794 71 HA TRP 12 HA TRP 12 4.757 23.800 2.217 72 HB2 TRP 12 1HB TRP 12 1.956 23.691 1.219 73 HB3 TRP 12 2HB TRP 12 2.579 25.257 1.772 74 HD1 TRP 12 HD1 TRP 12 2.859 22.842 -1.093 75 HE1 TRP 12 HE1 TRP 12 4.431 23.715 -2.892 76 HE3 TRP 12 HE3 TRP 12 4.831 26.732 1.565 77 HZ2 TRP 12 HZ2 TRP 12 6.368 25.793 -3.122 78 HZ3 TRP 12 HZ3 TRP 12 6.582 28.159 0.480 79 HH2 TRP 12 HH2 TRP 12 7.346 27.671 -1.845 80 H PHE 13 H PHE 13 2.350 22.535 4.349 81 HA PHE 13 HA PHE 13 2.624 24.975 6.039 82 HB2 PHE 13 1HB PHE 13 0.283 23.065 5.784 83 HB3 PHE 13 2HB PHE 13 0.384 24.427 6.903 84 HD1 PHE 13 HD1 PHE 13 -0.163 23.418 3.428 85 HD2 PHE 13 HD2 PHE 13 0.265 26.739 6.118 86 HE1 PHE 13 HE1 PHE 13 -1.105 24.932 1.695 87 HE2 PHE 13 HE2 PHE 13 -0.644 28.268 4.381 88 HZ PHE 13 HZ PHE 13 -1.307 27.369 2.158 89 H THR 14 H THR 14 2.406 24.719 8.279 90 HA THR 14 HA THR 14 3.956 22.537 9.347 91 HB THR 14 HB THR 14 3.328 23.502 11.543 92 HG1 THR 14 HG1 THR 14 1.918 25.187 11.669 93 HG21 THR 14 1HG2 THR 14 4.115 25.614 9.503 94 HG22 THR 14 2HG2 THR 14 5.223 24.489 10.321 95 HG23 THR 14 3HG2 THR 14 4.349 25.716 11.260 96 H ALA 15 H ALA 15 3.093 21.185 11.204 97 HA ALA 15 HA ALA 15 0.802 19.784 10.074 98 HB1 ALA 15 1HB ALA 15 1.468 18.000 11.383 99 HB2 ALA 15 2HB ALA 15 2.190 19.051 12.632 100 HB3 ALA 15 3HB ALA 15 3.000 18.837 11.071 101 H LEU 16 H LEU 16 -1.127 19.319 11.003 102 HA LEU 16 HA LEU 16 -1.964 20.906 13.375 103 HB2 LEU 16 1HB LEU 16 -3.366 18.745 11.754 104 HB3 LEU 16 2HB LEU 16 -4.068 19.559 13.143 105 HG LEU 16 HG LEU 16 -3.302 20.898 10.552 106 HD11 LEU 16 1HD1 LEU 16 -5.762 21.023 10.203 107 HD12 LEU 16 2HD1 LEU 16 -6.003 20.052 11.675 108 HD13 LEU 16 3HD1 LEU 16 -5.178 19.348 10.264 109 HD21 LEU 16 1HD2 LEU 16 -4.736 22.752 11.528 110 HD22 LEU 16 2HD2 LEU 16 -3.161 22.502 12.301 111 HD23 LEU 16 3HD2 LEU 16 -4.644 21.893 13.080 112 H THR 17 H THR 17 -2.355 19.839 15.361 113 HA THR 17 HA THR 17 -0.959 17.191 15.566 114 HB THR 17 HB THR 17 -1.559 19.228 17.746 115 HG1 THR 17 HG1 THR 17 0.039 19.952 16.309 116 HG21 THR 17 1HG2 THR 17 0.154 17.838 18.988 117 HG22 THR 17 2HG2 THR 17 -0.003 16.613 17.709 118 HG23 THR 17 3HG2 THR 17 -1.409 17.037 18.724 119 H GLN 18 H GLN 18 -2.152 15.455 15.915 120 HA GLN 18 HA GLN 18 -5.032 15.783 16.526 121 HB2 GLN 18 1HB GLN 18 -4.323 14.223 14.737 122 HB3 GLN 18 2HB GLN 18 -3.291 13.366 15.878 123 HG2 GLN 18 1HG GLN 18 -5.321 12.700 17.184 124 HG3 GLN 18 2HG GLN 18 -6.329 13.469 15.956 125 HE21 GLN 18 1HE2 GLN 18 -5.983 9.789 15.293 126 HE22 GLN 18 2HE2 GLN 18 -6.431 10.720 16.701 127 H HIS 19 H HIS 19 -5.358 16.202 18.648 128 HA HIS 19 HA HIS 19 -4.151 14.213 20.563 129 HB2 HIS 19 1HB HIS 19 -3.569 16.595 20.993 130 HB3 HIS 19 2HB HIS 19 -5.287 17.000 21.027 131 HD1 HIS 19 HD1 HIS 19 -2.641 15.152 23.044 132 HD2 HIS 19 HD2 HIS 19 -6.600 16.407 23.380 133 HE1 HIS 19 HE1 HIS 19 -3.311 14.833 25.464 134 H GLY 20 H GLY 20 -5.652 12.600 20.290 135 HA2 GLY 20 1HA GLY 20 -8.018 12.368 21.518 136 HA3 GLY 20 2HA GLY 20 -8.505 13.310 20.086 137 H LYS 21 H LYS 21 -9.792 11.255 19.708 138 HA LYS 21 HA LYS 21 -8.103 9.036 18.645 139 HB2 LYS 21 1HB LYS 21 -11.006 9.198 19.503 140 HB3 LYS 21 2HB LYS 21 -10.293 7.797 18.707 141 HG2 LYS 21 1HG LYS 21 -8.655 7.589 20.562 142 HG3 LYS 21 2HG LYS 21 -9.439 8.955 21.382 143 HD2 LYS 21 1HD LYS 21 -11.577 7.689 21.413 144 HD3 LYS 21 2HD LYS 21 -10.760 6.309 20.651 145 HE2 LYS 21 1HE LYS 21 -10.021 7.530 23.347 146 HE3 LYS 21 2HE LYS 21 -10.984 6.057 23.120 147 HZ1 LYS 21 1HZ LYS 21 -8.666 5.539 23.554 148 HZ2 LYS 21 2HZ LYS 21 -8.174 6.409 22.239 149 HZ3 LYS 21 3HZ LYS 21 -9.074 5.042 22.034 150 H GLU 22 H GLU 22 -10.321 11.483 17.543 151 HA GLU 22 HA GLU 22 -11.262 10.040 15.252 152 HB2 GLU 22 1HB GLU 22 -11.123 13.026 15.645 153 HB3 GLU 22 2HB GLU 22 -12.139 12.168 14.495 154 HG2 GLU 22 1HG GLU 22 -13.357 11.098 16.365 155 HG3 GLU 22 2HG GLU 22 -12.359 11.991 17.526 156 H ASP 23 H ASP 23 -10.779 10.222 13.144 157 HA ASP 23 HA ASP 23 -7.941 10.803 12.532 158 HB2 ASP 23 1HB ASP 23 -10.110 9.080 11.431 159 HB3 ASP 23 2HB ASP 23 -8.843 9.637 10.349 160 H LEU 24 H LEU 24 -9.806 12.830 12.855 161 HA LEU 24 HA LEU 24 -10.270 14.943 12.105 162 HB2 LEU 24 1HB LEU 24 -7.878 14.791 11.486 163 HB3 LEU 24 2HB LEU 24 -8.327 14.229 9.893 164 HG LEU 24 HG LEU 24 -9.279 16.396 9.333 165 HD11 LEU 24 1HD1 LEU 24 -10.100 17.226 11.426 166 HD12 LEU 24 2HD1 LEU 24 -8.864 18.344 10.849 167 HD13 LEU 24 3HD1 LEU 24 -8.480 17.193 12.148 168 HD21 LEU 24 1HD2 LEU 24 -7.171 17.654 9.292 169 HD22 LEU 24 2HD2 LEU 24 -6.887 15.934 8.954 170 HD23 LEU 24 3HD2 LEU 24 -6.501 16.597 10.559 171 H LYS 25 H LYS 25 -11.683 16.155 10.842 172 HA LYS 25 HA LYS 25 -12.403 15.205 8.195 173 HB2 LYS 25 1HB LYS 25 -13.837 13.813 9.777 174 HB3 LYS 25 2HB LYS 25 -14.584 15.319 10.318 175 HG2 LYS 25 1HG LYS 25 -16.029 14.256 8.687 176 HG3 LYS 25 2HG LYS 25 -15.360 15.728 7.966 177 HD2 LYS 25 1HD LYS 25 -13.629 14.332 6.806 178 HD3 LYS 25 2HD LYS 25 -14.386 12.879 7.484 179 HE2 LYS 25 1HE LYS 25 -16.483 13.430 6.308 180 HE3 LYS 25 2HE LYS 25 -15.732 14.910 5.658 181 HZ1 LYS 25 1HZ LYS 25 -15.634 13.065 4.078 182 HZ2 LYS 25 2HZ LYS 25 -14.770 12.149 5.144 183 HZ3 LYS 25 3HZ LYS 25 -14.115 13.529 4.521 184 H PHE 26 H PHE 26 -13.160 16.849 6.942 185 HA PHE 26 HA PHE 26 -13.933 19.376 8.329 186 HB2 PHE 26 1HB PHE 26 -12.210 18.994 5.855 187 HB3 PHE 26 2HB PHE 26 -12.955 20.534 6.298 188 HD1 PHE 26 HD1 PHE 26 -12.593 20.751 9.185 189 HD2 PHE 26 HD2 PHE 26 -9.860 19.225 6.210 190 HE1 PHE 26 HE1 PHE 26 -10.680 21.305 10.654 191 HE2 PHE 26 HE2 PHE 26 -7.958 19.742 7.712 192 HZ PHE 26 HZ PHE 26 -8.353 20.790 9.926 193 HA PRO 27 HA PRO 27 -17.551 18.906 5.857 194 HB2 PRO 27 1HB PRO 27 -18.509 21.469 5.715 195 HB3 PRO 27 2HB PRO 27 -18.494 20.525 7.234 196 HG2 PRO 27 1HG PRO 27 -16.635 22.613 6.312 197 HG3 PRO 27 2HG PRO 27 -17.354 22.359 7.910 198 HD2 PRO 27 1HD PRO 27 -14.802 21.605 7.231 199 HD3 PRO 27 2HD PRO 27 -15.783 20.784 8.493 200 H ARG 28 H ARG 28 -18.661 19.568 3.823 201 HA ARG 28 HA ARG 28 -16.818 19.569 1.628 202 HB2 ARG 28 1HB ARG 28 -19.092 18.549 1.602 203 HB3 ARG 28 2HB ARG 28 -19.803 20.157 1.727 204 HG2 ARG 28 1HG ARG 28 -20.043 19.553 -0.531 205 HG3 ARG 28 2HG ARG 28 -18.700 20.700 -0.514 206 HD2 ARG 28 1HD ARG 28 -17.093 18.819 -0.598 207 HD3 ARG 28 2HD ARG 28 -18.437 17.665 -0.593 208 HE ARG 28 HE ARG 28 -17.536 19.361 -2.825 209 HH11 ARG 28 1HH1 ARG 28 -20.118 17.241 -1.659 210 HH12 ARG 28 2HH1 ARG 28 -20.739 16.972 -3.263 211 HH21 ARG 28 1HH2 ARG 28 -18.405 18.980 -4.831 212 HH22 ARG 28 2HH2 ARG 28 -19.788 17.938 -5.020 213 H GLY 29 H GLY 29 -15.984 21.178 0.400 214 HA2 GLY 29 1HA GLY 29 -15.861 23.271 -0.624 215 HA3 GLY 29 2HA GLY 29 -17.279 23.801 0.294 216 H GLN 30 H GLN 30 -15.169 22.344 2.401 217 HA GLN 30 HA GLN 30 -13.768 24.864 3.141 218 HB2 GLN 30 1HB GLN 30 -15.858 23.296 4.598 219 HB3 GLN 30 2HB GLN 30 -14.557 24.016 5.540 220 HG2 GLN 30 1HG GLN 30 -15.164 26.227 4.740 221 HG3 GLN 30 2HG GLN 30 -16.454 25.522 3.741 222 HE21 GLN 30 1HE2 GLN 30 -16.891 25.767 7.810 223 HE22 GLN 30 2HE2 GLN 30 -15.298 25.943 7.077 224 H GLY 31 H GLY 31 -12.279 24.386 5.022 225 HA2 GLY 31 1HA GLY 31 -11.095 22.756 6.338 226 HA3 GLY 31 2HA GLY 31 -11.392 21.543 5.083 227 H VAL 32 H VAL 32 -10.789 23.747 3.070 228 HA VAL 32 HA VAL 32 -8.003 23.157 2.694 229 HB VAL 32 HB VAL 32 -9.741 25.436 1.579 230 HG11 VAL 32 1HG1 VAL 32 -7.405 25.972 1.292 231 HG12 VAL 32 2HG1 VAL 32 -8.055 25.461 -0.259 232 HG13 VAL 32 3HG1 VAL 32 -7.056 24.341 0.673 233 HG21 VAL 32 1HG2 VAL 32 -9.940 23.999 -0.448 234 HG22 VAL 32 2HG2 VAL 32 -10.692 23.256 0.980 235 HG23 VAL 32 3HG2 VAL 32 -9.097 22.696 0.411 236 HA PRO 33 HA PRO 33 -6.786 26.159 5.729 237 HB2 PRO 33 1HB PRO 33 -4.071 26.038 5.372 238 HB3 PRO 33 2HB PRO 33 -5.013 24.770 6.210 239 HG2 PRO 33 1HG PRO 33 -4.001 24.832 3.433 240 HG3 PRO 33 2HG PRO 33 -4.005 23.506 4.608 241 HD2 PRO 33 1HD PRO 33 -5.791 23.668 2.623 242 HD3 PRO 33 2HD PRO 33 -6.143 22.918 4.211 243 H ILE 34 H ILE 34 -5.362 28.210 5.726 244 HA ILE 34 HA ILE 34 -6.179 29.755 3.401 245 HB ILE 34 HB ILE 34 -4.440 30.544 5.767 246 HG12 ILE 34 1HG1 ILE 34 -7.367 31.043 5.168 247 HG13 ILE 34 2HG1 ILE 34 -6.761 29.858 6.329 248 HG21 ILE 34 1HG2 ILE 34 -4.165 31.959 3.670 249 HG22 ILE 34 2HG2 ILE 34 -4.767 32.842 5.073 250 HG23 ILE 34 3HG2 ILE 34 -5.892 32.351 3.779 251 HD11 ILE 34 1HD1 ILE 34 -6.520 32.859 6.496 252 HD12 ILE 34 2HD1 ILE 34 -5.648 31.734 7.565 253 HD13 ILE 34 3HD1 ILE 34 -7.418 31.773 7.567 254 H ASN 35 H ASN 35 -5.212 29.555 1.594 255 HA ASN 35 HA ASN 35 -2.265 29.044 1.546 256 HB2 ASN 35 1HB ASN 35 -4.283 28.467 -0.646 257 HB3 ASN 35 2HB ASN 35 -2.588 27.987 -0.622 258 HD21 ASN 35 1HD2 ASN 35 -4.818 25.140 0.277 259 HD22 ASN 35 2HD2 ASN 35 -4.759 26.269 -1.053 260 H THR 36 H THR 36 -1.983 31.373 1.835 261 HA THR 36 HA THR 36 -3.053 33.301 0.034 262 HB THR 36 HB THR 36 -1.386 34.830 1.029 263 HG1 THR 36 HG1 THR 36 0.208 33.964 2.392 264 HG21 THR 36 1HG2 THR 36 -2.257 32.859 3.158 265 HG22 THR 36 2HG2 THR 36 -3.374 34.020 2.389 266 HG23 THR 36 3HG2 THR 36 -1.987 34.609 3.332 267 H ASN 37 H ASN 37 -0.286 31.236 -0.313 268 HA ASN 37 HA ASN 37 0.753 32.935 -2.533 269 HB2 ASN 37 1HB ASN 37 2.866 31.543 -2.103 270 HB3 ASN 37 2HB ASN 37 2.392 32.719 -0.875 271 HD21 ASN 37 1HD2 ASN 37 2.199 30.451 1.677 272 HD22 ASN 37 2HD2 ASN 37 2.265 32.108 1.126 273 H SER 38 H SER 38 -1.519 31.073 -2.796 274 HA SER 38 HA SER 38 -0.298 29.352 -4.912 275 HB2 SER 38 1HB SER 38 -1.721 27.513 -4.346 276 HB3 SER 38 2HB SER 38 -0.891 28.005 -2.854 277 HG SER 38 HG SER 38 -2.838 29.353 -2.493 278 H SER 39 H SER 39 -2.023 28.576 -6.449 279 HA SER 39 HA SER 39 -3.562 30.924 -7.298 280 HB2 SER 39 1HB SER 39 -3.171 28.163 -8.509 281 HB3 SER 39 2HB SER 39 -3.894 29.560 -9.337 282 HG SER 39 HG SER 39 -1.872 30.649 -8.982 283 HA PRO 40 HA PRO 40 -7.397 29.531 -5.766 284 HB2 PRO 40 1HB PRO 40 -9.275 29.927 -7.716 285 HB3 PRO 40 2HB PRO 40 -8.477 31.278 -6.846 286 HG2 PRO 40 1HG PRO 40 -7.755 30.074 -9.510 287 HG3 PRO 40 2HG PRO 40 -8.045 31.793 -9.093 288 HD2 PRO 40 1HD PRO 40 -5.550 30.815 -9.198 289 HD3 PRO 40 2HD PRO 40 -6.020 31.963 -7.896 290 H ASP 41 H ASP 41 -6.374 28.025 -8.810 291 HA ASP 41 HA ASP 41 -8.328 25.887 -8.671 292 HB2 ASP 41 1HB ASP 41 -7.087 24.861 -10.413 293 HB3 ASP 41 2HB ASP 41 -7.095 26.595 -10.764 294 H ASP 42 H ASP 42 -5.440 26.699 -7.038 295 HA ASP 42 HA ASP 42 -4.674 23.937 -6.449 296 HB2 ASP 42 1HB ASP 42 -3.052 25.777 -7.093 297 HB3 ASP 42 2HB ASP 42 -3.306 26.452 -5.493 298 H GLN 43 H GLN 43 -6.940 25.863 -5.150 299 HA GLN 43 HA GLN 43 -6.375 25.568 -2.348 300 HB2 GLN 43 1HB GLN 43 -9.034 25.776 -3.803 301 HB3 GLN 43 2HB GLN 43 -8.787 26.018 -2.076 302 HG2 GLN 43 1HG GLN 43 -7.702 27.720 -4.332 303 HG3 GLN 43 2HG GLN 43 -8.926 28.185 -3.155 304 HE21 GLN 43 1HE2 GLN 43 -5.107 28.980 -2.468 305 HE22 GLN 43 2HE2 GLN 43 -5.785 28.578 -4.025 306 H ILE 44 H ILE 44 -7.478 23.351 -4.795 307 HA ILE 44 HA ILE 44 -8.697 21.416 -3.071 308 HB ILE 44 HB ILE 44 -8.946 21.542 -5.585 309 HG12 ILE 44 1HG1 ILE 44 -8.069 18.777 -4.828 310 HG13 ILE 44 2HG1 ILE 44 -9.434 19.540 -4.009 311 HG21 ILE 44 1HG2 ILE 44 -7.282 20.471 -7.022 312 HG22 ILE 44 2HG2 ILE 44 -6.236 20.162 -5.635 313 HG23 ILE 44 3HG2 ILE 44 -6.547 21.828 -6.159 314 HD11 ILE 44 1HD1 ILE 44 -10.234 18.177 -5.870 315 HD12 ILE 44 2HD1 ILE 44 -9.204 19.074 -6.997 316 HD13 ILE 44 3HD1 ILE 44 -10.559 19.892 -6.190 317 H GLY 45 H GLY 45 -7.890 19.632 -1.996 318 HA2 GLY 45 1HA GLY 45 -5.325 18.519 -2.379 319 HA3 GLY 45 2HA GLY 45 -5.163 19.775 -1.138 320 H TYR 46 H TYR 46 -4.581 17.975 0.281 321 HA TYR 46 HA TYR 46 -6.991 17.069 1.683 322 HB2 TYR 46 1HB TYR 46 -6.473 14.720 1.596 323 HB3 TYR 46 2HB TYR 46 -6.583 15.313 -0.054 324 HD1 TYR 46 HD1 TYR 46 -4.455 13.915 2.539 325 HD2 TYR 46 HD2 TYR 46 -4.499 15.572 -1.429 326 HE1 TYR 46 HE1 TYR 46 -2.192 12.929 2.065 327 HE2 TYR 46 HE2 TYR 46 -2.235 14.616 -1.870 328 HH TYR 46 HH TYR 46 -0.506 12.665 0.561 329 H TYR 47 H TYR 47 -6.268 15.832 3.724 330 HA TYR 47 HA TYR 47 -3.612 16.920 4.608 331 HB2 TYR 47 1HB TYR 47 -6.063 16.254 6.226 332 HB3 TYR 47 2HB TYR 47 -4.492 16.563 6.921 333 HD1 TYR 47 HD1 TYR 47 -6.833 18.360 4.491 334 HD2 TYR 47 HD2 TYR 47 -4.140 18.635 7.849 335 HE1 TYR 47 HE1 TYR 47 -7.349 20.761 4.726 336 HE2 TYR 47 HE2 TYR 47 -4.687 21.049 8.061 337 HH TYR 47 HH TYR 47 -7.116 22.640 6.014 338 H ARG 48 H ARG 48 -2.198 15.519 5.481 339 HA ARG 48 HA ARG 48 -2.845 12.611 5.149 340 HB2 ARG 48 1HB ARG 48 -1.202 13.801 3.600 341 HB3 ARG 48 2HB ARG 48 -0.145 14.013 4.987 342 HG2 ARG 48 1HG ARG 48 0.128 11.620 5.221 343 HG3 ARG 48 2HG ARG 48 -1.111 11.329 3.983 344 HD2 ARG 48 1HD ARG 48 0.297 12.635 2.364 345 HD3 ARG 48 2HD ARG 48 1.578 12.668 3.590 346 HE ARG 48 HE ARG 48 0.757 9.971 3.191 347 HH11 ARG 48 1HH1 ARG 48 2.452 12.516 1.409 348 HH12 ARG 48 2HH1 ARG 48 3.390 11.374 0.488 349 HH21 ARG 48 1HH2 ARG 48 2.001 8.575 1.981 350 HH22 ARG 48 2HH2 ARG 48 3.124 9.179 0.795 351 H ARG 49 H ARG 49 -2.869 11.457 6.981 352 HA ARG 49 HA ARG 49 -1.864 12.490 9.491 353 HB2 ARG 49 1HB ARG 49 -3.720 10.793 9.118 354 HB3 ARG 49 2HB ARG 49 -2.472 9.591 8.790 355 HG2 ARG 49 1HG ARG 49 -1.666 9.686 11.043 356 HG3 ARG 49 2HG ARG 49 -2.554 11.189 11.362 357 HD2 ARG 49 1HD ARG 49 -3.790 9.460 12.435 358 HD3 ARG 49 2HD ARG 49 -4.700 9.926 11.007 359 HE ARG 49 HE ARG 49 -4.097 7.865 9.930 360 HH11 ARG 49 1HH1 ARG 49 -3.131 7.985 13.319 361 HH12 ARG 49 2HH1 ARG 49 -2.992 6.252 13.431 362 HH21 ARG 49 1HH2 ARG 49 -3.917 5.676 10.140 363 HH22 ARG 49 2HH2 ARG 49 -3.438 4.972 11.670 364 H ALA 50 H ALA 50 0.030 12.137 10.537 365 HA ALA 50 HA ALA 50 2.031 10.276 9.372 366 HB1 ALA 50 1HB ALA 50 2.505 12.454 8.312 367 HB2 ALA 50 2HB ALA 50 3.763 12.086 9.519 368 HB3 ALA 50 3HB ALA 50 2.474 13.257 9.903 369 H THR 51 H THR 51 3.279 9.320 10.929 370 HA THR 51 HA THR 51 3.746 10.534 13.535 371 HB THR 51 HB THR 51 1.550 9.620 14.130 372 HG1 THR 51 HG1 THR 51 3.261 9.138 15.616 373 HG21 THR 51 1HG2 THR 51 2.480 7.033 12.827 374 HG22 THR 51 2HG2 THR 51 1.160 8.091 12.268 375 HG23 THR 51 3HG2 THR 51 1.010 7.217 13.805 376 H ARG 52 H ARG 52 5.428 9.289 14.618 377 HA ARG 52 HA ARG 52 6.465 6.952 13.080 378 HB2 ARG 52 1HB ARG 52 7.622 9.154 12.382 379 HB3 ARG 52 2HB ARG 52 8.245 9.230 14.028 380 HG2 ARG 52 1HG ARG 52 10.014 8.257 12.924 381 HG3 ARG 52 2HG ARG 52 9.162 6.808 13.488 382 HD2 ARG 52 1HD ARG 52 8.112 6.530 11.289 383 HD3 ARG 52 2HD ARG 52 8.785 8.080 10.744 384 HE ARG 52 HE ARG 52 10.856 6.265 11.612 385 HH11 ARG 52 1HH1 ARG 52 8.785 6.977 8.837 386 HH12 ARG 52 2HH1 ARG 52 9.926 6.298 7.706 387 HH21 ARG 52 1HH2 ARG 52 12.241 5.407 10.104 388 HH22 ARG 52 2HH2 ARG 52 11.855 5.445 8.403 389 H ARG 53 H ARG 53 6.772 5.342 14.534 390 HA ARG 53 HA ARG 53 7.562 6.130 17.293 391 HB2 ARG 53 1HB ARG 53 5.108 5.683 17.153 392 HB3 ARG 53 2HB ARG 53 5.465 4.035 16.624 393 HG2 ARG 53 1HG ARG 53 6.874 4.772 19.093 394 HG3 ARG 53 2HG ARG 53 5.118 4.933 19.249 395 HD2 ARG 53 1HD ARG 53 6.497 2.440 18.189 396 HD3 ARG 53 2HD ARG 53 6.044 2.677 19.890 397 HE ARG 53 HE ARG 53 3.748 3.166 18.315 398 HH11 ARG 53 1HH1 ARG 53 5.793 0.411 19.153 399 HH12 ARG 53 2HH1 ARG 53 4.486 -0.729 18.982 400 HH21 ARG 53 1HH2 ARG 53 2.132 1.650 18.114 401 HH22 ARG 53 2HH2 ARG 53 2.458 -0.039 18.388 402 H ILE 54 H ILE 54 9.097 5.143 18.094 403 HA ILE 54 HA ILE 54 9.945 2.507 17.075 404 HB ILE 54 HB ILE 54 12.184 3.168 16.669 405 HG12 ILE 54 1HG1 ILE 54 12.700 4.532 18.575 406 HG13 ILE 54 2HG1 ILE 54 13.176 5.363 17.109 407 HG21 ILE 54 1HG2 ILE 54 10.599 5.514 15.537 408 HG22 ILE 54 2HG2 ILE 54 10.691 3.882 14.827 409 HG23 ILE 54 3HG2 ILE 54 12.150 4.894 14.936 410 HD11 ILE 54 1HD1 ILE 54 12.271 6.970 18.597 411 HD12 ILE 54 2HD1 ILE 54 10.818 5.994 18.870 412 HD13 ILE 54 3HD1 ILE 54 11.091 6.754 17.288 413 H ARG 55 H ARG 55 11.864 1.882 18.675 414 HA ARG 55 HA ARG 55 11.277 2.949 21.414 415 HB2 ARG 55 1HB ARG 55 10.292 0.635 21.106 416 HB3 ARG 55 2HB ARG 55 11.914 0.055 20.704 417 HG2 ARG 55 1HG ARG 55 12.605 1.053 23.013 418 HG3 ARG 55 2HG ARG 55 10.870 1.049 23.367 419 HD2 ARG 55 1HD ARG 55 10.796 -1.374 22.909 420 HD3 ARG 55 2HD ARG 55 12.514 -1.345 22.480 421 HE ARG 55 HE ARG 55 13.103 -0.962 24.756 422 HH11 ARG 55 1HH1 ARG 55 9.633 -1.565 24.403 423 HH12 ARG 55 2HH1 ARG 55 9.436 -1.912 26.098 424 HH21 ARG 55 1HH2 ARG 55 12.760 -1.412 26.896 425 HH22 ARG 55 2HH2 ARG 55 11.174 -1.844 27.476 426 H GLY 56 H GLY 56 13.101 4.003 22.008 427 HA2 GLY 56 1HA GLY 56 15.655 3.301 20.741 428 HA3 GLY 56 2HA GLY 56 15.363 4.588 21.940 429 H GLY 57 H GLY 57 17.527 2.646 22.028 430 HA2 GLY 57 1HA GLY 57 16.816 0.616 23.992 431 HA3 GLY 57 2HA GLY 57 18.460 1.069 23.477 432 H ASP 58 H ASP 58 18.031 3.873 23.910 433 HA ASP 58 HA ASP 58 18.776 4.124 26.684 434 HB2 ASP 58 1HB ASP 58 19.469 5.519 24.633 435 HB3 ASP 58 2HB ASP 58 17.886 6.296 24.763 436 H GLY 59 H GLY 59 15.804 4.206 24.886 437 HA2 GLY 59 1HA GLY 59 13.819 3.644 26.198 438 HA3 GLY 59 2HA GLY 59 14.330 4.845 27.397 439 H LYS 60 H LYS 60 15.175 6.317 24.677 440 HA LYS 60 HA LYS 60 12.847 7.985 24.799 441 HB2 LYS 60 1HB LYS 60 14.044 9.454 23.275 442 HB3 LYS 60 2HB LYS 60 14.866 9.032 24.773 443 HG2 LYS 60 1HG LYS 60 15.938 7.198 23.031 444 HG3 LYS 60 2HG LYS 60 15.757 8.673 22.033 445 HD2 LYS 60 1HD LYS 60 16.664 9.976 23.969 446 HD3 LYS 60 2HD LYS 60 16.958 8.444 24.797 447 HE2 LYS 60 1HE LYS 60 18.536 7.787 22.980 448 HE3 LYS 60 2HE LYS 60 18.257 9.358 22.187 449 HZ1 LYS 60 1HZ LYS 60 20.252 9.349 23.633 450 HZ2 LYS 60 2HZ LYS 60 19.316 9.010 24.954 451 HZ3 LYS 60 3HZ LYS 60 19.139 10.447 24.162 452 H MET 61 H MET 61 11.670 8.746 23.105 453 HA MET 61 HA MET 61 11.187 6.759 20.926 454 HB2 MET 61 1HB MET 61 9.149 8.339 22.532 455 HB3 MET 61 2HB MET 61 8.781 7.292 21.155 456 HG2 MET 61 1HG MET 61 9.662 5.347 22.383 457 HG3 MET 61 2HG MET 61 10.019 6.388 23.773 458 HE1 MET 61 1HE MET 61 7.321 4.697 21.565 459 HE2 MET 61 2HE MET 61 6.751 6.374 21.352 460 HE3 MET 61 3HE MET 61 5.785 5.220 22.301 461 H LYS 62 H LYS 62 9.106 8.320 19.680 462 HA LYS 62 HA LYS 62 10.702 10.658 18.713 463 HB2 LYS 62 1HB LYS 62 9.448 8.404 17.288 464 HB3 LYS 62 2HB LYS 62 8.992 9.971 16.634 465 HG2 LYS 62 1HG LYS 62 11.855 9.114 17.065 466 HG3 LYS 62 2HG LYS 62 10.966 8.921 15.541 467 HD2 LYS 62 1HD LYS 62 10.567 11.379 15.491 468 HD3 LYS 62 2HD LYS 62 11.557 11.545 16.958 469 HE2 LYS 62 1HE LYS 62 13.463 10.500 15.766 470 HE3 LYS 62 2HE LYS 62 12.476 10.419 14.291 471 HZ1 LYS 62 1HZ LYS 62 13.876 12.412 14.324 472 HZ2 LYS 62 2HZ LYS 62 13.201 12.917 15.742 473 HZ3 LYS 62 3HZ LYS 62 12.285 12.849 14.374 474 H ASP 63 H ASP 63 7.309 9.503 18.260 475 HA ASP 63 HA ASP 63 6.390 11.934 19.636 476 HB2 ASP 63 1HB ASP 63 4.825 12.463 17.835 477 HB3 ASP 63 2HB ASP 63 6.502 12.524 17.274 478 H LEU 64 H LEU 64 4.107 11.782 20.166 479 HA LEU 64 HA LEU 64 3.254 8.941 20.586 480 HB2 LEU 64 1HB LEU 64 2.898 11.351 22.408 481 HB3 LEU 64 2HB LEU 64 2.161 9.787 22.660 482 HG LEU 64 HG LEU 64 3.876 9.940 24.216 483 HD11 LEU 64 1HD1 LEU 64 5.363 8.106 23.685 484 HD12 LEU 64 2HD1 LEU 64 5.045 8.297 21.945 485 HD13 LEU 64 3HD1 LEU 64 3.745 7.766 23.040 486 HD21 LEU 64 1HD2 LEU 64 6.162 10.543 23.838 487 HD22 LEU 64 2HD2 LEU 64 5.144 11.812 23.125 488 HD23 LEU 64 3HD2 LEU 64 5.927 10.604 22.079 489 H SER 65 H SER 65 2.382 12.215 19.715 490 HA SER 65 HA SER 65 -0.458 11.388 19.345 491 HB2 SER 65 1HB SER 65 0.714 13.712 20.510 492 HB3 SER 65 2HB SER 65 -0.007 14.215 18.968 493 HG SER 65 HG SER 65 -1.977 13.507 19.641 494 HA PRO 66 HA PRO 66 0.759 11.459 15.072 495 HB2 PRO 66 1HB PRO 66 -2.165 11.778 14.493 496 HB3 PRO 66 2HB PRO 66 -1.021 10.541 13.887 497 HG2 PRO 66 1HG PRO 66 -2.843 9.895 15.696 498 HG3 PRO 66 2HG PRO 66 -1.159 9.293 15.854 499 HD2 PRO 66 1HD PRO 66 -2.465 11.636 17.248 500 HD3 PRO 66 2HD PRO 66 -1.489 10.292 17.943 501 H ARG 67 H ARG 67 0.668 12.824 13.199 502 HA ARG 67 HA ARG 67 -0.286 15.616 13.738 503 HB2 ARG 67 1HB ARG 67 2.298 14.484 12.690 504 HB3 ARG 67 2HB ARG 67 1.736 16.039 12.076 505 HG2 ARG 67 1HG ARG 67 1.830 17.051 14.201 506 HG3 ARG 67 2HG ARG 67 1.995 15.490 15.031 507 HD2 ARG 67 1HD ARG 67 4.197 15.171 14.234 508 HD3 ARG 67 2HD ARG 67 4.027 16.448 13.021 509 HE ARG 67 HE ARG 67 4.250 16.876 15.970 510 HH11 ARG 67 1HH1 ARG 67 4.646 18.157 12.689 511 HH12 ARG 67 2HH1 ARG 67 5.333 19.659 13.274 512 HH21 ARG 67 1HH2 ARG 67 5.151 18.818 16.599 513 HH22 ARG 67 2HH2 ARG 67 5.634 20.001 15.393 514 H TRP 68 H TRP 68 -0.924 16.763 11.808 515 HA TRP 68 HA TRP 68 -1.417 14.996 9.437 516 HB2 TRP 68 1HB TRP 68 -3.295 16.930 10.799 517 HB3 TRP 68 2HB TRP 68 -3.522 16.400 9.133 518 HD1 TRP 68 HD1 TRP 68 -3.363 14.875 12.692 519 HE1 TRP 68 HE1 TRP 68 -4.801 12.772 12.787 520 HE3 TRP 68 HE3 TRP 68 -4.579 14.649 7.740 521 HZ2 TRP 68 HZ2 TRP 68 -6.367 11.265 10.958 522 HZ3 TRP 68 HZ3 TRP 68 -6.095 12.833 6.958 523 HH2 TRP 68 HH2 TRP 68 -6.995 11.168 8.581 524 H TYR 69 H TYR 69 -0.554 15.833 7.635 525 HA TYR 69 HA TYR 69 0.177 18.758 7.671 526 HB2 TYR 69 1HB TYR 69 1.354 16.369 6.215 527 HB3 TYR 69 2HB TYR 69 1.821 18.041 5.922 528 HD1 TYR 69 HD1 TYR 69 1.917 15.275 8.428 529 HD2 TYR 69 HD2 TYR 69 3.345 19.215 7.412 530 HE1 TYR 69 HE1 TYR 69 3.667 15.109 10.196 531 HE2 TYR 69 HE2 TYR 69 5.105 19.019 9.171 532 HH TYR 69 HH TYR 69 5.483 16.065 11.155 533 H PHE 70 H PHE 70 -0.307 19.967 5.744 534 HA PHE 70 HA PHE 70 -2.511 18.814 4.163 535 HB2 PHE 70 1HB PHE 70 -2.837 21.063 5.094 536 HB3 PHE 70 2HB PHE 70 -1.382 21.633 4.265 537 HD1 PHE 70 HD1 PHE 70 -4.690 19.995 3.539 538 HD2 PHE 70 HD2 PHE 70 -1.591 22.610 2.129 539 HE1 PHE 70 HE1 PHE 70 -6.055 20.521 1.524 540 HE2 PHE 70 HE2 PHE 70 -2.957 23.165 0.132 541 HZ PHE 70 HZ PHE 70 -5.196 22.121 -0.184 542 H TYR 71 H TYR 71 -2.385 18.396 2.049 543 HA TYR 71 HA TYR 71 0.221 18.821 0.661 544 HB2 TYR 71 1HB TYR 71 -1.115 16.353 1.627 545 HB3 TYR 71 2HB TYR 71 -0.432 16.272 -0.017 546 HD1 TYR 71 HD1 TYR 71 2.094 16.797 -0.281 547 HD2 TYR 71 HD2 TYR 71 0.234 16.144 3.542 548 HE1 TYR 71 HE1 TYR 71 4.330 16.343 0.733 549 HE2 TYR 71 HE2 TYR 71 2.470 15.682 4.541 550 HH TYR 71 HH TYR 71 4.711 15.599 4.211 551 H TYR 72 H TYR 72 -0.031 19.108 -1.533 552 HA TYR 72 HA TYR 72 -2.694 19.688 -2.507 553 HB2 TYR 72 1HB TYR 72 0.020 19.668 -3.838 554 HB3 TYR 72 2HB TYR 72 -1.482 20.138 -4.645 555 HD1 TYR 72 HD1 TYR 72 -2.991 21.781 -2.895 556 HD2 TYR 72 HD2 TYR 72 1.299 21.571 -3.251 557 HE1 TYR 72 HE1 TYR 72 -2.796 24.067 -1.974 558 HE2 TYR 72 HE2 TYR 72 1.452 23.893 -2.343 559 HH TYR 72 HH TYR 72 -1.406 25.820 -1.545 560 H LEU 73 H LEU 73 -3.599 18.835 -4.482 561 HA LEU 73 HA LEU 73 -4.070 16.084 -4.320 562 HB2 LEU 73 1HB LEU 73 -5.084 18.209 -5.708 563 HB3 LEU 73 2HB LEU 73 -4.304 17.326 -7.006 564 HG LEU 73 HG LEU 73 -6.525 16.325 -5.201 565 HD11 LEU 73 1HD1 LEU 73 -7.879 16.439 -7.182 566 HD12 LEU 73 2HD1 LEU 73 -6.473 16.805 -8.193 567 HD13 LEU 73 3HD1 LEU 73 -7.054 17.994 -7.012 568 HD21 LEU 73 1HD2 LEU 73 -6.583 14.355 -6.759 569 HD22 LEU 73 2HD2 LEU 73 -5.163 14.399 -5.711 570 HD23 LEU 73 3HD2 LEU 73 -5.020 14.884 -7.419 571 H GLY 74 H GLY 74 -2.962 14.327 -4.867 572 HA2 GLY 74 1HA GLY 74 -1.732 12.916 -6.218 573 HA3 GLY 74 2HA GLY 74 -1.436 14.246 -7.331 574 H THR 75 H THR 75 -0.448 14.871 -4.018 575 HA THR 75 HA THR 75 2.346 14.759 -4.981 576 HB THR 75 HB THR 75 2.827 15.719 -2.655 577 HG1 THR 75 HG1 THR 75 0.020 16.178 -2.578 578 HG21 THR 75 1HG2 THR 75 0.887 17.207 -4.465 579 HG22 THR 75 2HG2 THR 75 2.666 17.218 -4.551 580 HG23 THR 75 3HG2 THR 75 1.840 17.947 -3.160 581 H GLY 76 H GLY 76 3.992 13.553 -4.091 582 HA2 GLY 76 1HA GLY 76 4.717 12.098 -2.209 583 HA3 GLY 76 2HA GLY 76 3.165 11.250 -2.377 584 HA PRO 77 HA PRO 77 6.572 9.873 -5.468 585 HB2 PRO 77 1HB PRO 77 7.646 7.651 -4.263 586 HB3 PRO 77 2HB PRO 77 8.240 9.308 -3.969 587 HG2 PRO 77 1HG PRO 77 6.335 7.693 -2.303 588 HG3 PRO 77 2HG PRO 77 7.784 8.607 -1.788 589 HD2 PRO 77 1HD PRO 77 5.284 9.644 -1.578 590 HD3 PRO 77 2HD PRO 77 6.701 10.661 -1.985 591 H GLU 78 H GLU 78 4.609 7.744 -3.443 592 HA GLU 78 HA GLU 78 3.746 6.220 -5.867 593 HB2 GLU 78 1HB GLU 78 3.716 4.194 -4.455 594 HB3 GLU 78 2HB GLU 78 5.331 4.899 -4.550 595 HG2 GLU 78 1HG GLU 78 4.758 6.064 -2.299 596 HG3 GLU 78 2HG GLU 78 3.428 4.907 -2.194 597 H ALA 79 H ALA 79 2.587 8.569 -4.777 598 HA ALA 79 HA ALA 79 0.655 8.162 -2.782 599 HB1 ALA 79 1HB ALA 79 -0.452 10.170 -3.707 600 HB2 ALA 79 2HB ALA 79 0.526 10.033 -5.189 601 HB3 ALA 79 3HB ALA 79 1.307 10.374 -3.634 602 H GLY 80 H GLY 80 0.116 8.024 -6.342 603 HA2 GLY 80 1HA GLY 80 -1.566 7.011 -7.557 604 HA3 GLY 80 2HA GLY 80 -1.576 5.783 -6.280 605 H LEU 81 H LEU 81 -2.370 9.207 -5.738 606 HA LEU 81 HA LEU 81 -5.072 8.301 -4.948 607 HB2 LEU 81 1HB LEU 81 -3.102 10.280 -3.846 608 HB3 LEU 81 2HB LEU 81 -4.806 10.499 -3.569 609 HG LEU 81 HG LEU 81 -3.197 8.122 -2.650 610 HD11 LEU 81 1HD1 LEU 81 -4.380 10.517 -1.190 611 HD12 LEU 81 2HD1 LEU 81 -2.654 10.196 -1.468 612 HD13 LEU 81 3HD1 LEU 81 -3.597 9.131 -0.410 613 HD21 LEU 81 1HD2 LEU 81 -5.229 7.521 -1.370 614 HD22 LEU 81 2HD2 LEU 81 -5.522 7.467 -3.121 615 HD23 LEU 81 3HD2 LEU 81 -6.113 8.837 -2.152 616 HA PRO 82 HA PRO 82 -6.508 11.532 -7.786 617 HB2 PRO 82 1HB PRO 82 -8.848 10.282 -8.392 618 HB3 PRO 82 2HB PRO 82 -7.310 9.800 -9.181 619 HG2 PRO 82 1HG PRO 82 -8.760 8.522 -6.888 620 HG3 PRO 82 2HG PRO 82 -7.966 7.758 -8.286 621 HD2 PRO 82 1HD PRO 82 -6.848 7.949 -5.829 622 HD3 PRO 82 2HD PRO 82 -5.917 7.811 -7.339 623 H TYR 83 H TYR 83 -8.503 12.895 -7.361 624 HA TYR 83 HA TYR 83 -8.805 13.336 -4.571 625 HB2 TYR 83 1HB TYR 83 -9.162 14.998 -6.401 626 HB3 TYR 83 2HB TYR 83 -10.669 14.179 -6.803 627 HD1 TYR 83 HD1 TYR 83 -8.907 16.278 -4.312 628 HD2 TYR 83 HD2 TYR 83 -12.646 14.420 -5.341 629 HE1 TYR 83 HE1 TYR 83 -10.061 17.638 -2.580 630 HE2 TYR 83 HE2 TYR 83 -13.793 15.776 -3.586 631 HH TYR 83 HH TYR 83 -13.554 17.319 -1.921 632 H GLY 84 H GLY 84 -10.190 12.580 -3.077 633 HA2 GLY 84 1HA GLY 84 -12.206 11.695 -2.284 634 HA3 GLY 84 2HA GLY 84 -12.670 11.242 -3.926 635 H ALA 85 H ALA 85 -9.616 10.037 -3.798 636 HA ALA 85 HA ALA 85 -10.548 7.353 -3.421 637 HB1 ALA 85 1HB ALA 85 -8.686 7.633 -4.811 638 HB2 ALA 85 2HB ALA 85 -8.056 6.837 -3.357 639 HB3 ALA 85 3HB ALA 85 -7.798 8.584 -3.602 640 H ASN 86 H ASN 86 -10.713 6.086 -1.709 641 HA ASN 86 HA ASN 86 -10.317 7.242 0.942 642 HB2 ASN 86 1HB ASN 86 -12.258 5.773 0.326 643 HB3 ASN 86 2HB ASN 86 -11.127 4.425 0.128 644 HD21 ASN 86 1HD2 ASN 86 -11.792 3.603 3.446 645 HD22 ASN 86 2HD2 ASN 86 -11.901 3.150 1.762 646 H LYS 87 H LYS 87 -8.605 6.973 2.254 647 HA LYS 87 HA LYS 87 -6.897 4.596 2.069 648 HB2 LYS 87 1HB LYS 87 -5.971 6.064 0.303 649 HB3 LYS 87 2HB LYS 87 -5.836 7.372 1.443 650 HG2 LYS 87 1HG LYS 87 -4.039 6.382 2.613 651 HG3 LYS 87 2HG LYS 87 -4.377 4.765 1.952 652 HD2 LYS 87 1HD LYS 87 -3.417 7.099 0.273 653 HD3 LYS 87 2HD LYS 87 -2.324 5.937 1.030 654 HE2 LYS 87 1HE LYS 87 -3.470 4.084 -0.217 655 HE3 LYS 87 2HE LYS 87 -4.483 5.283 -1.036 656 HZ1 LYS 87 1HZ LYS 87 -2.474 6.220 -2.040 657 HZ2 LYS 87 2HZ LYS 87 -2.593 4.620 -2.401 658 HZ3 LYS 87 3HZ LYS 87 -1.522 5.124 -1.257 659 H ASP 88 H ASP 88 -5.559 4.474 3.975 660 HA ASP 88 HA ASP 88 -6.803 5.486 6.325 661 HB2 ASP 88 1HB ASP 88 -5.393 3.423 6.201 662 HB3 ASP 88 2HB ASP 88 -3.963 4.435 5.958 663 H GLY 89 H GLY 89 -6.658 7.390 7.310 664 HA2 GLY 89 1HA GLY 89 -5.766 9.362 8.070 665 HA3 GLY 89 2HA GLY 89 -4.188 8.811 7.502 666 H ILE 90 H ILE 90 -6.916 9.120 5.271 667 HA ILE 90 HA ILE 90 -5.663 11.621 4.224 668 HB ILE 90 HB ILE 90 -6.805 9.312 2.562 669 HG12 ILE 90 1HG1 ILE 90 -4.591 8.788 3.490 670 HG13 ILE 90 2HG1 ILE 90 -4.555 8.971 1.746 671 HG21 ILE 90 1HG2 ILE 90 -7.310 11.394 1.436 672 HG22 ILE 90 2HG2 ILE 90 -5.890 10.720 0.620 673 HG23 ILE 90 3HG2 ILE 90 -5.702 12.061 1.779 674 HD11 ILE 90 1HD1 ILE 90 -3.364 10.948 1.822 675 HD12 ILE 90 2HD1 ILE 90 -2.632 9.922 3.073 676 HD13 ILE 90 3HD1 ILE 90 -3.741 11.239 3.537 677 H ILE 91 H ILE 91 -6.964 13.257 4.227 678 HA ILE 91 HA ILE 91 -9.875 12.750 3.713 679 HB ILE 91 HB ILE 91 -10.374 14.767 5.148 680 HG12 ILE 91 1HG1 ILE 91 -8.008 14.389 6.844 681 HG13 ILE 91 2HG1 ILE 91 -7.590 15.004 5.265 682 HG21 ILE 91 1HG2 ILE 91 -10.485 13.514 7.192 683 HG22 ILE 91 2HG2 ILE 91 -9.187 12.414 6.671 684 HG23 ILE 91 3HG2 ILE 91 -10.764 12.387 5.851 685 HD11 ILE 91 1HD1 ILE 91 -8.030 16.810 6.888 686 HD12 ILE 91 2HD1 ILE 91 -9.710 16.251 7.028 687 HD13 ILE 91 3HD1 ILE 91 -9.092 16.869 5.470 688 H TRP 92 H TRP 92 -10.492 13.606 1.894 689 HA TRP 92 HA TRP 92 -8.872 15.632 0.579 690 HB2 TRP 92 1HB TRP 92 -11.464 14.249 -0.174 691 HB3 TRP 92 2HB TRP 92 -10.536 15.319 -1.227 692 HD1 TRP 92 HD1 TRP 92 -10.577 11.793 0.115 693 HE1 TRP 92 HE1 TRP 92 -8.731 10.394 -0.919 694 HE3 TRP 92 HE3 TRP 92 -8.058 15.601 -2.202 695 HZ2 TRP 92 HZ2 TRP 92 -6.458 10.873 -2.534 696 HZ3 TRP 92 HZ3 TRP 92 -5.989 15.045 -3.481 697 HH2 TRP 92 HH2 TRP 92 -5.202 12.685 -3.654 698 H VAL 93 H VAL 93 -9.276 17.727 0.214 699 HA VAL 93 HA VAL 93 -11.924 18.839 0.997 700 HB VAL 93 HB VAL 93 -10.745 20.817 2.034 701 HG11 VAL 93 1HG1 VAL 93 -10.292 19.753 4.186 702 HG12 VAL 93 2HG1 VAL 93 -10.191 18.158 3.409 703 HG13 VAL 93 3HG1 VAL 93 -11.735 19.046 3.434 704 HG21 VAL 93 1HG2 VAL 93 -8.422 20.623 2.765 705 HG22 VAL 93 2HG2 VAL 93 -8.493 20.439 1.001 706 HG23 VAL 93 3HG2 VAL 93 -8.284 19.008 2.038 707 H ALA 94 H ALA 94 -12.424 20.809 -0.077 708 HA ALA 94 HA ALA 94 -10.649 21.959 -2.067 709 HB1 ALA 94 1HB ALA 94 -13.138 20.443 -3.030 710 HB2 ALA 94 2HB ALA 94 -11.474 19.868 -3.268 711 HB3 ALA 94 3HB ALA 94 -12.006 21.378 -4.037 712 H THR 95 H THR 95 -11.947 23.763 -3.142 713 HA THR 95 HA THR 95 -14.435 24.467 -1.710 714 HB THR 95 HB THR 95 -12.432 25.570 -0.531 715 HG1 THR 95 HG1 THR 95 -14.359 26.517 -0.188 716 HG21 THR 95 1HG2 THR 95 -11.360 27.448 -1.578 717 HG22 THR 95 2HG2 THR 95 -12.397 27.331 -3.016 718 HG23 THR 95 3HG2 THR 95 -11.186 26.073 -2.688 719 H GLU 96 H GLU 96 -15.103 26.751 -2.962 720 HA GLU 96 HA GLU 96 -15.591 25.846 -5.638 721 HB2 GLU 96 1HB GLU 96 -17.072 27.305 -4.223 722 HB3 GLU 96 2HB GLU 96 -15.954 28.644 -4.517 723 HG2 GLU 96 1HG GLU 96 -16.432 28.611 -6.875 724 HG3 GLU 96 2HG GLU 96 -17.305 27.075 -6.728 725 H GLY 97 H GLY 97 -14.632 26.319 -7.523 726 HA2 GLY 97 1HA GLY 97 -13.354 27.633 -9.022 727 HA3 GLY 97 2HA GLY 97 -12.582 28.448 -7.656 728 H ALA 98 H ALA 98 -12.362 25.487 -6.561 729 HA ALA 98 HA ALA 98 -9.633 25.162 -7.451 730 HB1 ALA 98 1HB ALA 98 -9.519 23.447 -5.859 731 HB2 ALA 98 2HB ALA 98 -11.280 23.178 -5.883 732 HB3 ALA 98 3HB ALA 98 -10.604 24.656 -5.156 733 H LEU 99 H LEU 99 -8.756 23.615 -8.870 734 HA LEU 99 HA LEU 99 -10.754 22.291 -10.631 735 HB2 LEU 99 1HB LEU 99 -7.787 22.828 -10.889 736 HB3 LEU 99 2HB LEU 99 -8.662 21.777 -11.981 737 HG LEU 99 HG LEU 99 -9.134 24.750 -11.653 738 HD11 LEU 99 1HD1 LEU 99 -8.184 24.800 -13.943 739 HD12 LEU 99 2HD1 LEU 99 -7.923 23.038 -13.867 740 HD13 LEU 99 3HD1 LEU 99 -7.032 24.126 -12.773 741 HD21 LEU 99 1HD2 LEU 99 -10.589 24.479 -13.670 742 HD22 LEU 99 2HD2 LEU 99 -11.252 23.688 -12.231 743 HD23 LEU 99 3HD2 LEU 99 -10.460 22.713 -13.497 744 H ASN 100 H ASN 100 -10.883 20.149 -10.952 745 HA ASN 100 HA ASN 100 -9.567 18.452 -8.942 746 HB2 ASN 100 1HB ASN 100 -11.999 18.222 -9.489 747 HB3 ASN 100 2HB ASN 100 -11.545 17.684 -11.114 748 HD21 ASN 100 1HD2 ASN 100 -11.864 14.475 -9.701 749 HD22 ASN 100 2HD2 ASN 100 -12.626 15.699 -10.685 750 H THR 101 H THR 101 -7.430 19.056 -10.004 751 HA THR 101 HA THR 101 -6.775 16.854 -11.886 752 HB THR 101 HB THR 101 -7.113 19.226 -13.053 753 HG1 THR 101 HG1 THR 101 -5.436 18.643 -14.501 754 HG21 THR 101 1HG2 THR 101 -5.113 20.581 -13.157 755 HG22 THR 101 2HG2 THR 101 -4.231 19.444 -12.104 756 HG23 THR 101 3HG2 THR 101 -5.582 20.421 -11.451 757 HA PRO 102 HA PRO 102 -3.461 16.542 -8.965 758 HB2 PRO 102 1HB PRO 102 -1.418 15.575 -10.505 759 HB3 PRO 102 2HB PRO 102 -2.790 14.547 -9.962 760 HG2 PRO 102 1HG PRO 102 -2.360 15.962 -12.586 761 HG3 PRO 102 2HG PRO 102 -2.865 14.268 -12.286 762 HD2 PRO 102 1HD PRO 102 -4.655 16.180 -12.876 763 HD3 PRO 102 2HD PRO 102 -5.025 14.909 -11.663 764 H LYS 103 H LYS 103 -1.647 17.685 -8.220 765 HA LYS 103 HA LYS 103 -0.214 19.412 -10.139 766 HB2 LYS 103 1HB LYS 103 -0.566 21.410 -8.733 767 HB3 LYS 103 2HB LYS 103 -1.998 20.833 -9.565 768 HG2 LYS 103 1HG LYS 103 -1.772 19.679 -6.878 769 HG3 LYS 103 2HG LYS 103 -1.715 21.425 -6.831 770 HD2 LYS 103 1HD LYS 103 -3.962 19.651 -7.796 771 HD3 LYS 103 2HD LYS 103 -3.983 20.855 -6.512 772 HE2 LYS 103 1HE LYS 103 -4.074 21.298 -9.512 773 HE3 LYS 103 2HE LYS 103 -5.240 21.806 -8.284 774 HZ1 LYS 103 1HZ LYS 103 -4.005 23.688 -8.955 775 HZ2 LYS 103 2HZ LYS 103 -2.556 22.927 -8.744 776 HZ3 LYS 103 3HZ LYS 103 -3.468 23.299 -7.429 777 H ASP 104 H ASP 104 0.696 17.219 -9.067 778 HA ASP 104 HA ASP 104 1.990 17.097 -6.642 779 HB2 ASP 104 1HB ASP 104 3.521 15.560 -7.753 780 HB3 ASP 104 2HB ASP 104 1.886 15.328 -8.397 781 H HIS 105 H HIS 105 3.049 18.785 -9.548 782 HA HIS 105 HA HIS 105 5.709 19.347 -8.812 783 HB2 HIS 105 1HB HIS 105 5.628 21.012 -10.585 784 HB3 HIS 105 2HB HIS 105 4.780 19.542 -11.087 785 HD1 HIS 105 HD1 HIS 105 2.144 19.672 -11.350 786 HD2 HIS 105 HD2 HIS 105 4.010 23.303 -10.358 787 HE1 HIS 105 HE1 HIS 105 0.401 21.527 -11.650 788 H ILE 106 H ILE 106 2.836 20.843 -7.481 789 HA ILE 106 HA ILE 106 4.286 23.323 -6.821 790 HB ILE 106 HB ILE 106 1.613 22.308 -5.725 791 HG12 ILE 106 1HG1 ILE 106 2.140 24.306 -7.969 792 HG13 ILE 106 2HG1 ILE 106 1.659 22.624 -8.222 793 HG21 ILE 106 1HG2 ILE 106 1.235 24.680 -5.074 794 HG22 ILE 106 2HG2 ILE 106 2.816 25.141 -5.752 795 HG23 ILE 106 3HG2 ILE 106 2.718 24.094 -4.323 796 HD11 ILE 106 1HD1 ILE 106 -0.335 23.838 -8.418 797 HD12 ILE 106 2HD1 ILE 106 0.017 24.853 -6.987 798 HD13 ILE 106 3HD1 ILE 106 -0.379 23.130 -6.782 799 H GLY 107 H GLY 107 3.656 20.139 -5.458 800 HA2 GLY 107 1HA GLY 107 4.250 20.832 -2.724 801 HA3 GLY 107 2HA GLY 107 4.158 19.211 -3.410 802 H THR 108 H THR 108 6.387 21.304 -4.976 803 HA THR 108 HA THR 108 8.624 19.648 -4.081 804 HB THR 108 HB THR 108 8.268 20.320 -6.472 805 HG1 THR 108 HG1 THR 108 10.637 21.214 -5.173 806 HG21 THR 108 1HG2 THR 108 9.122 23.114 -5.602 807 HG22 THR 108 2HG2 THR 108 7.446 22.668 -5.991 808 HG23 THR 108 3HG2 THR 108 8.703 22.567 -7.237 809 H ARG 109 H ARG 109 7.395 21.559 -2.065 810 HA ARG 109 HA ARG 109 9.187 23.768 -1.699 811 HB2 ARG 109 1HB ARG 109 7.030 23.524 -0.437 812 HB3 ARG 109 2HB ARG 109 7.750 22.189 0.473 813 HG2 ARG 109 1HG ARG 109 9.513 23.731 1.325 814 HG3 ARG 109 2HG ARG 109 8.764 25.058 0.430 815 HD2 ARG 109 1HD ARG 109 8.090 25.232 2.726 816 HD3 ARG 109 2HD ARG 109 6.688 24.736 1.776 817 HE ARG 109 HE ARG 109 6.625 22.712 2.898 818 HH11 ARG 109 1HH1 ARG 109 9.694 24.303 3.759 819 HH12 ARG 109 2HH1 ARG 109 9.975 23.183 5.059 820 HH21 ARG 109 1HH2 ARG 109 7.053 21.406 4.569 821 HH22 ARG 109 2HH2 ARG 109 8.528 21.563 5.503 822 H ASN 110 H ASN 110 11.311 23.672 -1.424 823 HA ASN 110 HA ASN 110 12.569 21.183 -0.488 824 HB2 ASN 110 1HB ASN 110 13.580 23.859 -1.482 825 HB3 ASN 110 2HB ASN 110 14.660 22.759 -0.615 826 HD21 ASN 110 1HD2 ASN 110 15.371 21.738 -3.939 827 HD22 ASN 110 2HD2 ASN 110 15.836 22.868 -2.692 828 HA PRO 111 HA PRO 111 11.938 22.954 3.535 829 HB2 PRO 111 1HB PRO 111 12.987 21.014 5.127 830 HB3 PRO 111 2HB PRO 111 11.430 20.802 4.262 831 HG2 PRO 111 1HG PRO 111 14.179 19.875 3.448 832 HG3 PRO 111 2HG PRO 111 12.655 18.935 3.538 833 HD2 PRO 111 1HD PRO 111 13.544 19.977 1.209 834 HD3 PRO 111 2HD PRO 111 11.793 19.931 1.600 835 H ALA 112 H ALA 112 15.008 22.188 2.139 836 HA ALA 112 HA ALA 112 16.591 23.319 4.320 837 HB1 ALA 112 1HB ALA 112 17.328 22.635 1.435 838 HB2 ALA 112 2HB ALA 112 17.492 21.539 2.834 839 HB3 ALA 112 3HB ALA 112 18.465 23.026 2.745 840 H ASN 113 H ASN 113 14.900 24.434 1.489 841 HA ASN 113 HA ASN 113 16.441 26.977 1.470 842 HB2 ASN 113 1HB ASN 113 14.473 25.822 -0.536 843 HB3 ASN 113 2HB ASN 113 15.324 27.361 -0.705 844 HD21 ASN 113 1HD2 ASN 113 17.094 24.595 -2.524 845 HD22 ASN 113 2HD2 ASN 113 15.415 25.085 -2.459 846 H ASN 114 H ASN 114 13.244 25.689 2.235 847 HA ASN 114 HA ASN 114 12.440 28.435 3.003 848 HB2 ASN 114 1HB ASN 114 11.558 28.281 0.782 849 HB3 ASN 114 2HB ASN 114 10.866 26.673 1.100 850 HD21 ASN 114 1HD2 ASN 114 7.949 27.939 2.455 851 HD22 ASN 114 2HD2 ASN 114 8.816 26.661 1.639 852 H ALA 115 H ALA 115 10.959 28.602 4.586 853 HA ALA 115 HA ALA 115 10.568 26.175 6.217 854 HB1 ALA 115 1HB ALA 115 11.413 28.251 7.271 855 HB2 ALA 115 2HB ALA 115 9.837 27.779 7.951 856 HB3 ALA 115 3HB ALA 115 9.931 29.107 6.772 857 H ALA 116 H ALA 116 8.560 25.476 6.960 858 HA ALA 116 HA ALA 116 6.368 25.671 5.118 859 HB1 ALA 116 1HB ALA 116 5.201 24.211 6.686 860 HB2 ALA 116 2HB ALA 116 6.407 24.541 7.949 861 HB3 ALA 116 3HB ALA 116 6.867 23.637 6.488 862 H ILE 117 H ILE 117 4.346 26.561 5.403 863 HA ILE 117 HA ILE 117 4.293 29.082 6.905 864 HB ILE 117 HB ILE 117 2.190 27.692 5.191 865 HG12 ILE 117 1HG1 ILE 117 3.670 30.060 4.160 866 HG13 ILE 117 2HG1 ILE 117 4.574 28.549 4.231 867 HG21 ILE 117 1HG2 ILE 117 2.385 30.597 6.133 868 HG22 ILE 117 2HG2 ILE 117 1.151 29.407 6.618 869 HG23 ILE 117 3HG2 ILE 117 1.204 29.991 4.948 870 HD11 ILE 117 1HD1 ILE 117 1.920 28.929 2.824 871 HD12 ILE 117 2HD1 ILE 117 2.848 27.418 2.910 872 HD13 ILE 117 3HD1 ILE 117 3.521 28.819 2.051 873 H VAL 118 H VAL 118 3.045 29.433 8.808 874 HA VAL 118 HA VAL 118 2.150 27.176 10.353 875 HB VAL 118 HB VAL 118 1.403 30.142 10.558 876 HG11 VAL 118 1HG1 VAL 118 0.761 29.585 12.904 877 HG12 VAL 118 2HG1 VAL 118 0.992 27.861 12.535 878 HG13 VAL 118 3HG1 VAL 118 -0.277 28.789 11.704 879 HG21 VAL 118 1HG2 VAL 118 3.065 30.145 12.433 880 HG22 VAL 118 2HG2 VAL 118 3.809 29.790 10.861 881 HG23 VAL 118 3HG2 VAL 118 3.502 28.471 12.014 882 H LEU 119 H LEU 119 0.413 25.959 10.033 883 HA LEU 119 HA LEU 119 -1.431 26.543 7.916 884 HB2 LEU 119 1HB LEU 119 -0.647 24.297 8.872 885 HB3 LEU 119 2HB LEU 119 -1.839 24.523 10.139 886 HG LEU 119 HG LEU 119 -2.651 24.616 7.217 887 HD11 LEU 119 1HD1 LEU 119 -2.374 22.109 8.919 888 HD12 LEU 119 2HD1 LEU 119 -1.296 22.567 7.588 889 HD13 LEU 119 3HD1 LEU 119 -2.999 22.213 7.255 890 HD21 LEU 119 1HD2 LEU 119 -4.415 25.253 8.735 891 HD22 LEU 119 2HD2 LEU 119 -4.059 23.899 9.823 892 HD23 LEU 119 3HD2 LEU 119 -4.761 23.597 8.220 893 H GLN 120 H GLN 120 -3.248 27.666 7.911 894 HA GLN 120 HA GLN 120 -4.656 28.270 10.480 895 HB2 GLN 120 1HB GLN 120 -3.958 30.168 8.219 896 HB3 GLN 120 2HB GLN 120 -5.098 30.544 9.516 897 HG2 GLN 120 1HG GLN 120 -3.436 30.727 11.115 898 HG3 GLN 120 2HG GLN 120 -2.314 29.718 10.205 899 HE21 GLN 120 1HE2 GLN 120 -0.962 32.327 8.301 900 HE22 GLN 120 2HE2 GLN 120 -1.093 30.593 8.522 901 H LEU 121 H LEU 121 -6.925 28.592 10.143 902 HA LEU 121 HA LEU 121 -7.893 27.539 7.514 903 HB2 LEU 121 1HB LEU 121 -8.917 27.325 10.337 904 HB3 LEU 121 2HB LEU 121 -10.069 27.348 9.017 905 HG LEU 121 HG LEU 121 -7.884 25.283 9.382 906 HD11 LEU 121 1HD1 LEU 121 -9.867 23.817 9.872 907 HD12 LEU 121 2HD1 LEU 121 -10.897 25.264 9.823 908 HD13 LEU 121 3HD1 LEU 121 -9.636 25.115 11.063 909 HD21 LEU 121 1HD2 LEU 121 -10.154 25.478 7.338 910 HD22 LEU 121 2HD2 LEU 121 -9.146 24.034 7.604 911 HD23 LEU 121 3HD2 LEU 121 -8.414 25.524 6.993 912 HA PRO 122 HA PRO 122 -9.561 31.547 6.991 913 HB2 PRO 122 1HB PRO 122 -11.582 31.141 5.222 914 HB3 PRO 122 2HB PRO 122 -9.849 30.923 4.763 915 HG2 PRO 122 1HG PRO 122 -11.862 28.852 5.624 916 HG3 PRO 122 2HG PRO 122 -10.809 28.861 4.174 917 HD2 PRO 122 1HD PRO 122 -10.129 27.524 6.407 918 HD3 PRO 122 2HD PRO 122 -8.894 28.372 5.415 919 H GLN 123 H GLN 123 -11.457 32.885 7.369 920 HA GLN 123 HA GLN 123 -12.800 32.270 9.761 921 HB2 GLN 123 1HB GLN 123 -12.462 34.541 8.734 922 HB3 GLN 123 2HB GLN 123 -13.721 34.155 7.554 923 HG2 GLN 123 1HG GLN 123 -15.374 33.947 9.366 924 HG3 GLN 123 2HG GLN 123 -14.115 34.282 10.566 925 HE21 GLN 123 1HE2 GLN 123 -16.048 37.397 9.766 926 HE22 GLN 123 2HE2 GLN 123 -16.505 35.785 10.256 927 H GLY 124 H GLY 124 -14.593 31.152 10.251 928 HA2 GLY 124 1HA GLY 124 -16.811 30.363 9.754 929 HA3 GLY 124 2HA GLY 124 -16.397 30.309 8.033 930 H THR 125 H THR 125 -13.663 29.067 8.827 931 HA THR 125 HA THR 125 -14.779 26.325 9.276 932 HB THR 125 HB THR 125 -12.030 26.914 8.143 933 HG1 THR 125 HG1 THR 125 -13.574 27.946 6.817 934 HG21 THR 125 1HG2 THR 125 -12.676 24.578 8.919 935 HG22 THR 125 2HG2 THR 125 -12.279 24.692 7.197 936 HG23 THR 125 3HG2 THR 125 -13.972 24.601 7.713 937 H THR 126 H THR 126 -14.305 25.316 11.112 938 HA THR 126 HA THR 126 -12.009 26.330 12.735 939 HB THR 126 HB THR 126 -13.377 25.449 14.703 940 HG1 THR 126 HG1 THR 126 -14.908 24.262 13.533 941 HG21 THR 126 1HG2 THR 126 -14.723 27.464 14.873 942 HG22 THR 126 2HG2 THR 126 -14.560 27.754 13.126 943 HG23 THR 126 3HG2 THR 126 -13.127 27.842 14.184 944 H LEU 127 H LEU 127 -10.807 24.838 13.842 945 HA LEU 127 HA LEU 127 -10.632 22.213 12.617 946 HB2 LEU 127 1HB LEU 127 -9.381 23.294 15.150 947 HB3 LEU 127 2HB LEU 127 -8.935 21.788 14.388 948 HG LEU 127 HG LEU 127 -8.579 24.498 13.074 949 HD11 LEU 127 1HD1 LEU 127 -6.205 24.268 13.642 950 HD12 LEU 127 2HD1 LEU 127 -6.551 22.760 14.525 951 HD13 LEU 127 3HD1 LEU 127 -7.206 24.306 15.111 952 HD21 LEU 127 1HD2 LEU 127 -7.087 23.250 11.558 953 HD22 LEU 127 2HD2 LEU 127 -8.730 22.598 11.506 954 HD23 LEU 127 3HD2 LEU 127 -7.471 21.738 12.416 955 HA PRO 128 HA PRO 128 -13.472 20.327 15.402 956 HB2 PRO 128 1HB PRO 128 -12.774 17.704 15.347 957 HB3 PRO 128 2HB PRO 128 -13.431 18.536 13.901 958 HG2 PRO 128 1HG PRO 128 -10.614 17.912 14.615 959 HG3 PRO 128 2HG PRO 128 -11.471 17.690 13.066 960 HD2 PRO 128 1HD PRO 128 -9.821 19.832 13.637 961 HD3 PRO 128 2HD PRO 128 -11.177 19.933 12.478 962 H LYS 129 H LYS 129 -13.549 18.872 17.414 963 HA LYS 129 HA LYS 129 -11.965 20.063 19.425 964 HB2 LYS 129 1HB LYS 129 -14.182 18.957 19.730 965 HB3 LYS 129 2HB LYS 129 -13.399 17.386 19.504 966 HG2 LYS 129 1HG LYS 129 -12.023 17.774 21.505 967 HG3 LYS 129 2HG LYS 129 -12.792 19.362 21.729 968 HD2 LYS 129 1HD LYS 129 -14.993 18.253 21.907 969 HD3 LYS 129 2HD LYS 129 -14.205 16.673 21.737 970 HE2 LYS 129 1HE LYS 129 -13.663 18.679 23.967 971 HE3 LYS 129 2HE LYS 129 -14.716 17.257 24.107 972 HZ1 LYS 129 1HZ LYS 129 -11.810 17.180 23.517 973 HZ2 LYS 129 2HZ LYS 129 -12.791 15.861 23.645 974 HZ3 LYS 129 3HZ LYS 129 -12.505 16.805 24.966 975 H GLY 130 H GLY 130 -9.962 19.724 20.133 976 HA2 GLY 130 1HA GLY 130 -8.171 18.389 20.865 977 HA3 GLY 130 2HA GLY 130 -8.802 17.030 19.940 978 H PHE 131 H PHE 131 -8.673 19.814 17.951 979 HA PHE 131 HA PHE 131 -5.954 19.009 17.010 980 HB2 PHE 131 1HB PHE 131 -8.455 19.759 15.506 981 HB3 PHE 131 2HB PHE 131 -6.856 19.985 14.790 982 HD1 PHE 131 HD1 PHE 131 -9.078 17.356 16.301 983 HD2 PHE 131 HD2 PHE 131 -5.723 18.220 13.749 984 HE1 PHE 131 HE1 PHE 131 -9.048 14.983 15.541 985 HE2 PHE 131 HE2 PHE 131 -5.689 15.859 12.985 986 HZ PHE 131 HZ PHE 131 -7.358 14.232 13.868 987 H TYR 132 H TYR 132 -4.489 20.536 16.756 988 HA TYR 132 HA TYR 132 -5.290 23.374 16.606 989 HB2 TYR 132 1HB TYR 132 -3.720 24.068 18.332 990 HB3 TYR 132 2HB TYR 132 -4.953 23.009 19.015 991 HD1 TYR 132 HD1 TYR 132 -4.355 20.696 19.777 992 HD2 TYR 132 HD2 TYR 132 -1.362 23.398 18.252 993 HE1 TYR 132 HE1 TYR 132 -2.566 19.304 20.804 994 HE2 TYR 132 HE2 TYR 132 0.419 21.985 19.280 995 HH TYR 132 HH TYR 132 -0.333 19.077 21.204 996 H ALA 133 H ALA 133 -3.334 24.693 15.911 997 HA ALA 133 HA ALA 133 -1.834 23.022 13.978 998 HB1 ALA 133 1HB ALA 133 -3.216 24.846 13.067 999 HB2 ALA 133 2HB ALA 133 -1.490 25.135 12.757 1000 HB3 ALA 133 3HB ALA 133 -2.321 26.022 14.051 1001 H GLU 134 H GLU 134 0.335 23.133 13.643 1002 HA GLU 134 HA GLU 134 1.956 23.774 15.984 1003 HB2 GLU 134 1HB GLU 134 2.528 21.860 14.649 1004 HB3 GLU 134 2HB GLU 134 2.480 22.804 13.172 1005 HG2 GLU 134 1HG GLU 134 4.512 23.996 13.819 1006 HG3 GLU 134 2HG GLU 134 4.555 23.094 15.348 1007 H GLY 135 H GLY 135 3.060 25.626 16.354 1008 HA2 GLY 135 1HA GLY 135 4.181 27.611 15.806 1009 HA3 GLY 135 2HA GLY 135 3.600 27.487 14.140 1010 H SER 136 H SER 136 0.854 26.940 15.824 1011 HA SER 136 HA SER 136 0.192 29.856 15.887 1012 HB2 SER 136 1HB SER 136 -1.109 28.440 14.297 1013 HB3 SER 136 2HB SER 136 -1.658 27.454 15.668 1014 HG SER 136 HG SER 136 -3.103 29.189 15.003 1015 H ARG 137 H ARG 137 -0.046 30.735 17.805 1016 HA ARG 137 HA ARG 137 -0.117 30.960 20.088 1017 HB2 ARG 137 1HB ARG 137 -2.523 30.391 19.230 1018 HB3 ARG 137 2HB ARG 137 -2.332 28.920 20.176 1019 HG2 ARG 137 1HG ARG 137 -1.735 31.591 21.480 1020 HG3 ARG 137 2HG ARG 137 -3.423 31.140 21.195 1021 HD2 ARG 137 1HD ARG 137 -3.051 29.022 22.445 1022 HD3 ARG 137 2HD ARG 137 -1.398 29.549 22.806 1023 HE ARG 137 HE ARG 137 -2.989 31.622 23.707 1024 HH11 ARG 137 1HH1 ARG 137 -2.780 28.176 24.421 1025 HH12 ARG 137 2HH1 ARG 137 -3.331 28.387 26.062 1026 HH21 ARG 137 1HH2 ARG 137 -3.648 31.820 25.825 1027 HH22 ARG 137 2HH2 ARG 137 -3.823 30.415 26.832 1028 H GLY 138 H GLY 138 2.010 29.528 19.669 1029 HA2 GLY 138 1HA GLY 138 1.990 26.987 21.078 1030 HA3 GLY 138 2HA GLY 138 3.430 27.940 20.627 1031 H GLY 139 H GLY 139 2.589 26.649 23.286 1032 HA2 GLY 139 1HA GLY 139 3.064 27.301 25.486 1033 HA3 GLY 139 2HA GLY 139 3.273 28.973 24.927 1034 H SER 140 H SER 140 1.969 29.895 26.565 1035 HA SER 140 HA SER 140 -0.904 29.706 26.018 1036 HB2 SER 140 1HB SER 140 0.299 29.130 28.748 1037 HB3 SER 140 2HB SER 140 -1.424 29.460 28.448 1038 HG SER 140 HG SER 140 -0.364 27.559 26.778 Start of MODEL 27 1 H1 GLY 1 1H GLY 1 3.621 -1.916 4.475 2 H2 GLY 1 2H GLY 1 4.933 -2.905 4.613 3 H3 GLY 1 3H GLY 1 4.888 -1.760 3.429 4 HA2 GLY 1 1HA GLY 1 4.915 0.008 5.059 5 HA3 GLY 1 2HA GLY 1 4.984 -1.230 6.328 6 H ALA 2 H ALA 2 6.986 -0.239 7.033 7 HA ALA 2 HA ALA 2 9.167 -0.142 7.267 8 HB1 ALA 2 1HB ALA 2 8.922 -2.582 7.158 9 HB2 ALA 2 2HB ALA 2 10.535 -2.033 6.646 10 HB3 ALA 2 3HB ALA 2 9.335 -2.518 5.426 11 H MET 3 H MET 3 8.305 0.165 4.058 12 HA MET 3 HA MET 3 10.922 0.927 3.045 13 HB2 MET 3 1HB MET 3 8.126 1.315 1.919 14 HB3 MET 3 2HB MET 3 9.621 1.691 1.053 15 HG2 MET 3 1HG MET 3 10.317 -0.670 1.223 16 HG3 MET 3 2HG MET 3 8.797 -1.057 2.047 17 HE1 MET 3 1HE MET 3 6.121 -0.802 -0.735 18 HE2 MET 3 2HE MET 3 6.453 0.351 0.578 19 HE3 MET 3 3HE MET 3 6.523 -1.403 0.891 20 H GLY 4 H GLY 4 11.695 2.534 4.416 21 HA2 GLY 4 1HA GLY 4 10.126 5.009 4.737 22 HA3 GLY 4 2HA GLY 4 11.679 4.620 5.485 23 H LEU 5 H LEU 5 10.774 4.621 2.015 24 HA LEU 5 HA LEU 5 13.226 5.911 1.271 25 HB2 LEU 5 1HB LEU 5 10.646 5.228 -0.120 26 HB3 LEU 5 2HB LEU 5 11.748 6.363 -0.884 27 HG LEU 5 HG LEU 5 13.552 4.641 -0.810 28 HD11 LEU 5 1HD1 LEU 5 12.904 2.262 -0.527 29 HD12 LEU 5 2HD1 LEU 5 11.295 2.773 0.027 30 HD13 LEU 5 3HD1 LEU 5 12.744 3.173 0.984 31 HD21 LEU 5 1HD2 LEU 5 12.640 3.353 -2.699 32 HD22 LEU 5 2HD2 LEU 5 12.193 5.067 -2.816 33 HD23 LEU 5 3HD2 LEU 5 10.993 3.871 -2.270 34 HA PRO 6 HA PRO 6 11.963 10.054 2.054 35 HB2 PRO 6 1HB PRO 6 13.690 11.514 0.535 36 HB3 PRO 6 2HB PRO 6 14.245 10.584 1.965 37 HG2 PRO 6 1HG PRO 6 14.313 9.801 -0.947 38 HG3 PRO 6 2HG PRO 6 15.635 9.751 0.263 39 HD2 PRO 6 1HD PRO 6 14.156 7.557 -0.363 40 HD3 PRO 6 2HD PRO 6 14.764 7.848 1.304 41 H ASN 7 H ASN 7 10.594 11.639 1.209 42 HA ASN 7 HA ASN 7 9.508 11.098 -1.491 43 HB2 ASN 7 1HB ASN 7 8.145 11.551 0.686 44 HB3 ASN 7 2HB ASN 7 8.562 13.253 0.427 45 HD21 ASN 7 1HD2 ASN 7 5.480 13.264 -1.302 46 HD22 ASN 7 2HD2 ASN 7 6.298 13.664 0.189 47 H ASN 8 H ASN 8 11.426 13.365 0.265 48 HA ASN 8 HA ASN 8 12.762 15.099 -0.245 49 HB2 ASN 8 1HB ASN 8 13.338 13.475 -2.180 50 HB3 ASN 8 2HB ASN 8 12.404 14.588 -3.193 51 HD21 ASN 8 1HD2 ASN 8 15.200 16.584 -3.637 52 HD22 ASN 8 2HD2 ASN 8 13.769 15.828 -4.291 53 H THR 9 H THR 9 9.924 15.543 0.072 54 HA THR 9 HA THR 9 9.712 18.189 -1.140 55 HB THR 9 HB THR 9 7.391 17.779 -1.789 56 HG1 THR 9 HG1 THR 9 6.900 15.302 -1.610 57 HG21 THR 9 1HG2 THR 9 9.088 17.029 -3.465 58 HG22 THR 9 2HG2 THR 9 7.556 16.131 -3.564 59 HG23 THR 9 3HG2 THR 9 8.973 15.392 -2.778 60 H ALA 10 H ALA 10 7.936 19.199 0.180 61 HA ALA 10 HA ALA 10 7.324 17.917 2.754 62 HB1 ALA 10 1HB ALA 10 9.513 19.066 3.097 63 HB2 ALA 10 2HB ALA 10 8.207 19.785 4.067 64 HB3 ALA 10 3HB ALA 10 8.765 20.597 2.581 65 H SER 11 H SER 11 5.543 18.897 3.830 66 HA SER 11 HA SER 11 3.564 20.075 2.130 67 HB2 SER 11 1HB SER 11 2.359 20.460 4.310 68 HB3 SER 11 2HB SER 11 2.938 18.794 4.111 69 HG SER 11 HG SER 11 3.742 20.758 5.908 70 H TRP 12 H TRP 12 2.847 22.236 1.988 71 HA TRP 12 HA TRP 12 4.829 24.257 2.298 72 HB2 TRP 12 1HB TRP 12 2.004 24.107 1.453 73 HB3 TRP 12 2HB TRP 12 2.509 25.661 2.137 74 HD1 TRP 12 HD1 TRP 12 2.737 23.650 -0.989 75 HE1 TRP 12 HE1 TRP 12 4.181 24.772 -2.732 76 HE3 TRP 12 HE3 TRP 12 4.730 27.265 2.015 77 HZ2 TRP 12 HZ2 TRP 12 6.010 26.961 -2.827 78 HZ3 TRP 12 HZ3 TRP 12 6.346 28.894 1.014 79 HH2 TRP 12 HH2 TRP 12 6.996 28.712 -1.384 80 H PHE 13 H PHE 13 2.504 22.958 4.483 81 HA PHE 13 HA PHE 13 2.848 25.299 6.276 82 HB2 PHE 13 1HB PHE 13 0.483 23.424 6.165 83 HB3 PHE 13 2HB PHE 13 0.587 24.992 6.977 84 HD1 PHE 13 HD1 PHE 13 0.652 27.083 5.603 85 HD2 PHE 13 HD2 PHE 13 -0.085 23.226 3.867 86 HE1 PHE 13 HE1 PHE 13 -0.117 28.176 3.511 87 HE2 PHE 13 HE2 PHE 13 -0.883 24.312 1.783 88 HZ PHE 13 HZ PHE 13 -0.851 26.772 1.589 89 H THR 14 H THR 14 2.516 24.872 8.546 90 HA THR 14 HA THR 14 4.064 22.609 9.475 91 HB THR 14 HB THR 14 3.378 23.419 11.728 92 HG1 THR 14 HG1 THR 14 1.991 25.135 11.911 93 HG21 THR 14 1HG2 THR 14 5.318 24.471 10.616 94 HG22 THR 14 2HG2 THR 14 4.434 25.627 11.635 95 HG23 THR 14 3HG2 THR 14 4.235 25.672 9.872 96 H ALA 15 H ALA 15 3.123 21.120 11.206 97 HA ALA 15 HA ALA 15 0.857 19.819 9.938 98 HB1 ALA 15 1HB ALA 15 2.057 19.005 12.572 99 HB2 ALA 15 2HB ALA 15 2.959 18.781 11.059 100 HB3 ALA 15 3HB ALA 15 1.382 17.990 11.272 101 H LEU 16 H LEU 16 -1.151 19.444 10.719 102 HA LEU 16 HA LEU 16 -2.110 21.093 12.991 103 HB2 LEU 16 1HB LEU 16 -3.355 19.141 11.029 104 HB3 LEU 16 2HB LEU 16 -4.168 19.545 12.522 105 HG LEU 16 HG LEU 16 -3.537 21.453 10.287 106 HD11 LEU 16 1HD1 LEU 16 -5.970 21.536 10.053 107 HD12 LEU 16 2HD1 LEU 16 -6.165 20.424 11.430 108 HD13 LEU 16 3HD1 LEU 16 -5.412 19.856 9.923 109 HD21 LEU 16 1HD2 LEU 16 -4.760 21.930 13.034 110 HD22 LEU 16 2HD2 LEU 16 -4.903 23.067 11.676 111 HD23 LEU 16 3HD2 LEU 16 -3.305 22.692 12.339 112 H THR 17 H THR 17 -2.689 20.103 14.991 113 HA THR 17 HA THR 17 -1.745 17.280 15.297 114 HB THR 17 HB THR 17 -1.269 19.568 17.251 115 HG1 THR 17 HG1 THR 17 -0.030 19.697 15.282 116 HG21 THR 17 1HG2 THR 17 0.332 17.931 18.227 117 HG22 THR 17 2HG2 THR 17 -0.302 16.698 17.114 118 HG23 THR 17 3HG2 THR 17 -1.364 17.423 18.349 119 H GLN 18 H GLN 18 -3.039 16.018 16.585 120 HA GLN 18 HA GLN 18 -5.611 17.298 17.415 121 HB2 GLN 18 1HB GLN 18 -5.809 15.555 15.735 122 HB3 GLN 18 2HB GLN 18 -4.833 14.467 16.682 123 HG2 GLN 18 1HG GLN 18 -7.140 13.763 16.794 124 HG3 GLN 18 2HG GLN 18 -6.623 14.299 18.388 125 HE21 GLN 18 1HE2 GLN 18 -9.956 15.774 16.880 126 HE22 GLN 18 2HE2 GLN 18 -9.163 14.277 16.395 127 H HIS 19 H HIS 19 -6.308 17.287 19.422 128 HA HIS 19 HA HIS 19 -5.228 15.229 21.317 129 HB2 HIS 19 1HB HIS 19 -4.252 17.489 21.832 130 HB3 HIS 19 2HB HIS 19 -5.887 18.149 21.935 131 HD1 HIS 19 HD1 HIS 19 -3.311 17.140 24.133 132 HD2 HIS 19 HD2 HIS 19 -7.404 16.383 23.971 133 HE1 HIS 19 HE1 HIS 19 -4.023 16.443 26.458 134 H GLY 20 H GLY 20 -7.041 13.917 20.926 135 HA2 GLY 20 1HA GLY 20 -9.543 14.524 22.076 136 HA3 GLY 20 2HA GLY 20 -9.621 14.994 20.365 137 H LYS 21 H LYS 21 -11.239 13.306 20.071 138 HA LYS 21 HA LYS 21 -10.085 10.546 20.166 139 HB2 LYS 21 1HB LYS 21 -12.960 11.491 20.334 140 HB3 LYS 21 2HB LYS 21 -12.461 9.808 20.170 141 HG2 LYS 21 1HG LYS 21 -11.123 10.067 22.302 142 HG3 LYS 21 2HG LYS 21 -11.823 11.682 22.478 143 HD2 LYS 21 1HD LYS 21 -13.126 10.225 23.852 144 HD3 LYS 21 2HD LYS 21 -14.119 10.603 22.435 145 HE2 LYS 21 1HE LYS 21 -14.316 8.226 22.962 146 HE3 LYS 21 2HE LYS 21 -13.465 8.411 21.420 147 HZ1 LYS 21 1HZ LYS 21 -12.168 7.883 24.038 148 HZ2 LYS 21 2HZ LYS 21 -11.375 8.056 22.602 149 HZ3 LYS 21 3HZ LYS 21 -12.388 6.776 22.834 150 H GLU 22 H GLU 22 -11.562 12.869 17.996 151 HA GLU 22 HA GLU 22 -12.055 10.878 15.901 152 HB2 GLU 22 1HB GLU 22 -11.894 13.916 15.802 153 HB3 GLU 22 2HB GLU 22 -12.446 12.875 14.483 154 HG2 GLU 22 1HG GLU 22 -14.338 12.121 15.860 155 HG3 GLU 22 2HG GLU 22 -13.781 13.148 17.195 156 H ASP 23 H ASP 23 -10.773 10.908 13.853 157 HA ASP 23 HA ASP 23 -7.930 11.284 14.449 158 HB2 ASP 23 1HB ASP 23 -9.283 9.555 12.794 159 HB3 ASP 23 2HB ASP 23 -8.737 10.755 11.635 160 H LEU 24 H LEU 24 -10.039 12.423 11.784 161 HA LEU 24 HA LEU 24 -9.808 15.199 12.261 162 HB2 LEU 24 1HB LEU 24 -7.460 14.981 11.467 163 HB3 LEU 24 2HB LEU 24 -8.018 14.166 10.020 164 HG LEU 24 HG LEU 24 -9.076 16.199 9.213 165 HD11 LEU 24 1HD1 LEU 24 -9.701 17.246 11.410 166 HD12 LEU 24 2HD1 LEU 24 -8.912 18.354 10.285 167 HD13 LEU 24 3HD1 LEU 24 -7.999 17.672 11.642 168 HD21 LEU 24 1HD2 LEU 24 -7.071 17.554 8.842 169 HD22 LEU 24 2HD2 LEU 24 -6.709 15.820 8.720 170 HD23 LEU 24 3HD2 LEU 24 -6.253 16.720 10.184 171 H LYS 25 H LYS 25 -11.417 16.178 10.989 172 HA LYS 25 HA LYS 25 -12.126 15.008 8.412 173 HB2 LYS 25 1HB LYS 25 -13.477 13.648 10.037 174 HB3 LYS 25 2HB LYS 25 -14.182 15.141 10.663 175 HG2 LYS 25 1HG LYS 25 -15.762 14.100 9.164 176 HG3 LYS 25 2HG LYS 25 -15.171 15.586 8.409 177 HD2 LYS 25 1HD LYS 25 -13.551 14.206 7.060 178 HD3 LYS 25 2HD LYS 25 -14.271 12.743 7.757 179 HE2 LYS 25 1HE LYS 25 -15.727 14.854 6.105 180 HE3 LYS 25 2HE LYS 25 -15.180 13.274 5.510 181 HZ1 LYS 25 1HZ LYS 25 -16.667 12.224 7.107 182 HZ2 LYS 25 2HZ LYS 25 -17.516 13.232 6.114 183 HZ3 LYS 25 3HZ LYS 25 -17.176 13.691 7.661 184 H PHE 26 H PHE 26 -12.962 16.590 7.084 185 HA PHE 26 HA PHE 26 -13.728 19.169 8.380 186 HB2 PHE 26 1HB PHE 26 -11.999 18.639 5.952 187 HB3 PHE 26 2HB PHE 26 -12.874 20.159 6.142 188 HD1 PHE 26 HD1 PHE 26 -9.679 18.997 6.408 189 HD2 PHE 26 HD2 PHE 26 -12.639 20.947 8.878 190 HE1 PHE 26 HE1 PHE 26 -7.889 19.907 7.864 191 HE2 PHE 26 HE2 PHE 26 -10.838 21.885 10.294 192 HZ PHE 26 HZ PHE 26 -8.455 21.359 9.795 193 HA PRO 27 HA PRO 27 -17.432 18.608 6.026 194 HB2 PRO 27 1HB PRO 27 -18.316 21.196 5.727 195 HB3 PRO 27 2HB PRO 27 -18.343 20.337 7.295 196 HG2 PRO 27 1HG PRO 27 -16.419 22.306 6.279 197 HG3 PRO 27 2HG PRO 27 -17.155 22.162 7.880 198 HD2 PRO 27 1HD PRO 27 -14.625 21.315 7.274 199 HD3 PRO 27 2HD PRO 27 -15.642 20.564 8.552 200 H ARG 28 H ARG 28 -18.455 19.004 3.917 201 HA ARG 28 HA ARG 28 -16.529 18.981 1.788 202 HB2 ARG 28 1HB ARG 28 -18.716 17.780 1.797 203 HB3 ARG 28 2HB ARG 28 -19.553 19.326 1.691 204 HG2 ARG 28 1HG ARG 28 -17.561 18.831 -0.467 205 HG3 ARG 28 2HG ARG 28 -18.948 17.730 -0.437 206 HD2 ARG 28 1HD ARG 28 -20.426 19.831 -0.250 207 HD3 ARG 28 2HD ARG 28 -18.991 20.757 -0.713 208 HE ARG 28 HE ARG 28 -20.558 18.881 -2.384 209 HH11 ARG 28 1HH1 ARG 28 -17.730 21.000 -2.225 210 HH12 ARG 28 2HH1 ARG 28 -17.531 21.007 -3.956 211 HH21 ARG 28 1HH2 ARG 28 -20.239 18.951 -4.575 212 HH22 ARG 28 2HH2 ARG 28 -18.933 19.879 -5.256 213 H GLY 29 H GLY 29 -15.749 20.559 0.516 214 HA2 GLY 29 1HA GLY 29 -15.736 22.593 -0.647 215 HA3 GLY 29 2HA GLY 29 -17.225 23.077 0.185 216 H GLN 30 H GLN 30 -14.972 21.858 2.378 217 HA GLN 30 HA GLN 30 -13.781 24.504 2.998 218 HB2 GLN 30 1HB GLN 30 -15.911 23.020 4.430 219 HB3 GLN 30 2HB GLN 30 -14.598 23.610 5.446 220 HG2 GLN 30 1HG GLN 30 -15.022 25.890 4.659 221 HG3 GLN 30 2HG GLN 30 -16.356 25.286 3.653 222 HE21 GLN 30 1HE2 GLN 30 -16.781 25.605 7.701 223 HE22 GLN 30 2HE2 GLN 30 -15.202 25.788 6.943 224 H GLY 31 H GLY 31 -12.270 24.240 4.907 225 HA2 GLY 31 1HA GLY 31 -11.066 22.771 6.379 226 HA3 GLY 31 2HA GLY 31 -11.292 21.449 5.231 227 H VAL 32 H VAL 32 -10.623 23.573 3.082 228 HA VAL 32 HA VAL 32 -7.838 22.913 2.837 229 HB VAL 32 HB VAL 32 -9.495 25.146 1.533 230 HG11 VAL 32 1HG1 VAL 32 -7.708 25.048 -0.209 231 HG12 VAL 32 2HG1 VAL 32 -6.752 24.047 0.883 232 HG13 VAL 32 3HG1 VAL 32 -7.193 25.712 1.328 233 HG21 VAL 32 1HG2 VAL 32 -9.602 23.638 -0.416 234 HG22 VAL 32 2HG2 VAL 32 -10.371 22.906 1.005 235 HG23 VAL 32 3HG2 VAL 32 -8.744 22.383 0.498 236 HA PRO 33 HA PRO 33 -6.585 26.075 5.722 237 HB2 PRO 33 1HB PRO 33 -3.884 25.833 5.452 238 HB3 PRO 33 2HB PRO 33 -4.884 24.608 6.291 239 HG2 PRO 33 1HG PRO 33 -3.814 24.589 3.528 240 HG3 PRO 33 2HG PRO 33 -3.840 23.291 4.740 241 HD2 PRO 33 1HD PRO 33 -5.621 23.423 2.738 242 HD3 PRO 33 2HD PRO 33 -5.999 22.722 4.341 243 H ILE 34 H ILE 34 -5.159 28.096 5.629 244 HA ILE 34 HA ILE 34 -5.834 29.497 3.183 245 HB ILE 34 HB ILE 34 -4.073 30.362 5.507 246 HG12 ILE 34 1HG1 ILE 34 -6.947 31.019 4.787 247 HG13 ILE 34 2HG1 ILE 34 -6.453 29.878 6.039 248 HG21 ILE 34 1HG2 ILE 34 -5.318 32.066 3.288 249 HG22 ILE 34 2HG2 ILE 34 -3.606 31.594 3.338 250 HG23 ILE 34 3HG2 ILE 34 -4.260 32.632 4.608 251 HD11 ILE 34 1HD1 ILE 34 -7.020 31.906 7.105 252 HD12 ILE 34 2HD1 ILE 34 -6.001 32.848 6.004 253 HD13 ILE 34 3HD1 ILE 34 -5.260 31.738 7.181 254 H ASN 35 H ASN 35 -4.893 29.023 1.415 255 HA ASN 35 HA ASN 35 -2.022 28.294 1.428 256 HB2 ASN 35 1HB ASN 35 -4.074 28.032 -0.785 257 HB3 ASN 35 2HB ASN 35 -2.401 27.492 -0.862 258 HD21 ASN 35 1HD2 ASN 35 -4.721 24.676 -0.012 259 HD22 ASN 35 2HD2 ASN 35 -4.743 25.911 -1.241 260 H THR 36 H THR 36 -1.230 30.375 1.771 261 HA THR 36 HA THR 36 -1.840 32.629 0.093 262 HB THR 36 HB THR 36 0.233 33.573 1.098 263 HG1 THR 36 HG1 THR 36 1.545 32.267 2.319 264 HG21 THR 36 1HG2 THR 36 -1.282 31.930 3.157 265 HG22 THR 36 2HG2 THR 36 -1.914 33.431 2.431 266 HG23 THR 36 3HG2 THR 36 -0.435 33.473 3.414 267 H ASN 37 H ASN 37 -0.038 29.839 -0.436 268 HA ASN 37 HA ASN 37 1.688 31.077 -2.528 269 HB2 ASN 37 1HB ASN 37 2.993 28.968 -2.321 270 HB3 ASN 37 2HB ASN 37 2.860 29.822 -0.779 271 HD21 ASN 37 1HD2 ASN 37 1.229 27.248 0.883 272 HD22 ASN 37 2HD2 ASN 37 1.914 28.858 0.929 273 H SER 38 H SER 38 -1.295 30.308 -2.780 274 HA SER 38 HA SER 38 -0.910 28.568 -5.165 275 HB2 SER 38 1HB SER 38 -3.000 28.112 -3.014 276 HB3 SER 38 2HB SER 38 -2.764 27.144 -4.469 277 HG SER 38 HG SER 38 -0.433 27.265 -3.255 278 H SER 39 H SER 39 -2.460 28.695 -6.765 279 HA SER 39 HA SER 39 -3.916 31.187 -7.022 280 HB2 SER 39 1HB SER 39 -4.270 28.659 -8.647 281 HB3 SER 39 2HB SER 39 -4.441 30.340 -9.191 282 HG SER 39 HG SER 39 -2.221 28.738 -8.969 283 HA PRO 40 HA PRO 40 -7.673 29.897 -5.253 284 HB2 PRO 40 1HB PRO 40 -9.736 30.504 -6.949 285 HB3 PRO 40 2HB PRO 40 -8.801 31.750 -6.058 286 HG2 PRO 40 1HG PRO 40 -8.409 30.777 -8.882 287 HG3 PRO 40 2HG PRO 40 -8.586 32.460 -8.283 288 HD2 PRO 40 1HD PRO 40 -6.158 31.420 -8.745 289 HD3 PRO 40 2HD PRO 40 -6.441 32.453 -7.301 290 H ASP 41 H ASP 41 -7.141 28.655 -8.561 291 HA ASP 41 HA ASP 41 -9.062 26.499 -8.189 292 HB2 ASP 41 1HB ASP 41 -8.377 25.686 -10.270 293 HB3 ASP 41 2HB ASP 41 -8.365 27.446 -10.430 294 H ASP 42 H ASP 42 -5.818 27.136 -7.297 295 HA ASP 42 HA ASP 42 -4.882 24.389 -7.204 296 HB2 ASP 42 1HB ASP 42 -3.773 27.034 -6.327 297 HB3 ASP 42 2HB ASP 42 -2.961 25.528 -5.940 298 H GLN 43 H GLN 43 -6.878 26.146 -5.175 299 HA GLN 43 HA GLN 43 -5.889 25.581 -2.600 300 HB2 GLN 43 1HB GLN 43 -8.746 25.795 -3.601 301 HB3 GLN 43 2HB GLN 43 -8.267 25.875 -1.913 302 HG2 GLN 43 1HG GLN 43 -7.510 27.829 -4.086 303 HG3 GLN 43 2HG GLN 43 -8.628 28.119 -2.755 304 HE21 GLN 43 1HE2 GLN 43 -4.781 28.995 -2.373 305 HE22 GLN 43 2HE2 GLN 43 -5.630 28.747 -3.881 306 H ILE 44 H ILE 44 -7.450 23.385 -4.832 307 HA ILE 44 HA ILE 44 -8.487 21.513 -2.994 308 HB ILE 44 HB ILE 44 -9.014 21.629 -5.395 309 HG12 ILE 44 1HG1 ILE 44 -7.980 18.862 -4.928 310 HG13 ILE 44 2HG1 ILE 44 -9.230 19.535 -3.878 311 HG21 ILE 44 1HG2 ILE 44 -6.884 22.089 -6.408 312 HG22 ILE 44 2HG2 ILE 44 -7.451 20.541 -7.048 313 HG23 ILE 44 3HG2 ILE 44 -6.199 20.560 -5.812 314 HD11 ILE 44 1HD1 ILE 44 -9.462 19.406 -6.904 315 HD12 ILE 44 2HD1 ILE 44 -10.721 19.909 -5.762 316 HD13 ILE 44 3HD1 ILE 44 -10.167 18.225 -5.791 317 H GLY 45 H GLY 45 -7.763 19.735 -1.919 318 HA2 GLY 45 1HA GLY 45 -5.272 18.456 -2.440 319 HA3 GLY 45 2HA GLY 45 -5.039 19.656 -1.160 320 H TYR 46 H TYR 46 -4.497 17.871 0.236 321 HA TYR 46 HA TYR 46 -6.895 16.876 1.601 322 HB2 TYR 46 1HB TYR 46 -6.379 14.549 1.400 323 HB3 TYR 46 2HB TYR 46 -6.391 15.203 -0.229 324 HD1 TYR 46 HD1 TYR 46 -4.409 13.744 2.461 325 HD2 TYR 46 HD2 TYR 46 -4.248 15.472 -1.480 326 HE1 TYR 46 HE1 TYR 46 -2.120 12.783 2.094 327 HE2 TYR 46 HE2 TYR 46 -1.954 14.545 -1.808 328 HH TYR 46 HH TYR 46 -0.326 12.603 0.704 329 H TYR 47 H TYR 47 -6.201 15.674 3.655 330 HA TYR 47 HA TYR 47 -3.519 16.704 4.557 331 HB2 TYR 47 1HB TYR 47 -6.003 16.072 6.145 332 HB3 TYR 47 2HB TYR 47 -4.432 16.320 6.859 333 HD1 TYR 47 HD1 TYR 47 -3.802 18.420 7.619 334 HD2 TYR 47 HD2 TYR 47 -6.910 18.152 4.645 335 HE1 TYR 47 HE1 TYR 47 -4.291 20.840 7.888 336 HE2 TYR 47 HE2 TYR 47 -7.377 20.566 4.936 337 HH TYR 47 HH TYR 47 -6.948 22.452 6.152 338 H ARG 48 H ARG 48 -2.126 15.282 5.461 339 HA ARG 48 HA ARG 48 -2.863 12.387 5.239 340 HB2 ARG 48 1HB ARG 48 -1.113 13.397 3.678 341 HB3 ARG 48 2HB ARG 48 -0.101 13.647 5.093 342 HG2 ARG 48 1HG ARG 48 -0.076 11.254 5.548 343 HG3 ARG 48 2HG ARG 48 -1.179 10.967 4.197 344 HD2 ARG 48 1HD ARG 48 0.517 11.971 2.662 345 HD3 ARG 48 2HD ARG 48 1.638 12.071 4.034 346 HE ARG 48 HE ARG 48 0.886 9.699 2.515 347 HH11 ARG 48 1HH1 ARG 48 2.142 10.755 5.647 348 HH12 ARG 48 2HH1 ARG 48 2.920 9.228 5.949 349 HH21 ARG 48 1HH2 ARG 48 1.904 7.786 2.978 350 HH22 ARG 48 2HH2 ARG 48 2.769 7.574 4.472 351 H ARG 49 H ARG 49 -2.910 11.264 7.059 352 HA ARG 49 HA ARG 49 -2.116 12.296 9.618 353 HB2 ARG 49 1HB ARG 49 -3.791 10.449 8.984 354 HB3 ARG 49 2HB ARG 49 -2.398 9.380 8.831 355 HG2 ARG 49 1HG ARG 49 -1.856 9.913 11.250 356 HG3 ARG 49 2HG ARG 49 -3.417 10.768 11.320 357 HD2 ARG 49 1HD ARG 49 -4.453 8.618 10.381 358 HD3 ARG 49 2HD ARG 49 -2.904 7.833 10.746 359 HE ARG 49 HE ARG 49 -3.920 9.240 13.037 360 HH11 ARG 49 1HH1 ARG 49 -4.487 6.278 11.191 361 HH12 ARG 49 2HH1 ARG 49 -5.180 5.458 12.558 362 HH21 ARG 49 1HH2 ARG 49 -4.830 8.140 14.715 363 HH22 ARG 49 2HH2 ARG 49 -5.349 6.489 14.529 364 H ALA 50 H ALA 50 -0.223 12.125 10.767 365 HA ALA 50 HA ALA 50 1.887 10.267 9.863 366 HB1 ALA 50 1HB ALA 50 2.213 12.288 8.472 367 HB2 ALA 50 2HB ALA 50 3.548 12.078 9.634 368 HB3 ALA 50 3HB ALA 50 2.269 13.275 9.951 369 H THR 51 H THR 51 3.485 9.853 11.397 370 HA THR 51 HA THR 51 3.572 11.436 13.903 371 HB THR 51 HB THR 51 3.872 9.177 15.137 372 HG1 THR 51 HG1 THR 51 2.869 7.413 14.148 373 HG21 THR 51 1HG2 THR 51 1.501 8.881 15.566 374 HG22 THR 51 2HG2 THR 51 1.083 9.744 14.069 375 HG23 THR 51 3HG2 THR 51 1.854 10.614 15.419 376 H ARG 52 H ARG 52 5.726 11.371 14.760 377 HA ARG 52 HA ARG 52 7.703 9.525 13.742 378 HB2 ARG 52 1HB ARG 52 7.362 11.350 11.874 379 HB3 ARG 52 2HB ARG 52 8.204 12.425 12.987 380 HG2 ARG 52 1HG ARG 52 9.874 11.626 11.535 381 HG3 ARG 52 2HG ARG 52 10.084 10.649 13.002 382 HD2 ARG 52 1HD ARG 52 8.833 8.799 11.980 383 HD3 ARG 52 2HD ARG 52 8.482 9.795 10.555 384 HE ARG 52 HE ARG 52 11.300 9.671 10.899 385 HH11 ARG 52 1HH1 ARG 52 8.648 7.531 9.975 386 HH12 ARG 52 2HH1 ARG 52 9.674 6.542 8.971 387 HH21 ARG 52 1HH2 ARG 52 12.551 8.353 9.602 388 HH22 ARG 52 2HH2 ARG 52 11.840 7.001 8.767 389 H ARG 53 H ARG 53 9.053 9.247 15.490 390 HA ARG 53 HA ARG 53 9.198 11.477 17.437 391 HB2 ARG 53 1HB ARG 53 8.707 9.186 18.238 392 HB3 ARG 53 2HB ARG 53 10.286 8.667 17.649 393 HG2 ARG 53 1HG ARG 53 10.422 11.002 19.434 394 HG3 ARG 53 2HG ARG 53 9.713 9.581 20.214 395 HD2 ARG 53 1HD ARG 53 12.274 9.319 18.626 396 HD3 ARG 53 2HD ARG 53 12.309 9.944 20.286 397 HE ARG 53 HE ARG 53 10.800 7.617 20.437 398 HH11 ARG 53 1HH1 ARG 53 14.098 8.349 19.405 399 HH12 ARG 53 2HH1 ARG 53 14.698 6.792 19.908 400 HH21 ARG 53 1HH2 ARG 53 11.645 5.658 21.068 401 HH22 ARG 53 2HH2 ARG 53 13.331 5.297 20.824 402 H ILE 54 H ILE 54 10.617 12.792 17.532 403 HA ILE 54 HA ILE 54 13.363 12.082 16.629 404 HB ILE 54 HB ILE 54 13.693 14.102 15.561 405 HG12 ILE 54 1HG1 ILE 54 12.956 15.669 17.236 406 HG13 ILE 54 2HG1 ILE 54 12.335 16.124 15.662 407 HG21 ILE 54 1HG2 ILE 54 11.965 14.383 13.871 408 HG22 ILE 54 2HG2 ILE 54 10.782 13.545 14.899 409 HG23 ILE 54 3HG2 ILE 54 12.187 12.664 14.256 410 HD11 ILE 54 1HD1 ILE 54 10.140 15.196 16.297 411 HD12 ILE 54 2HD1 ILE 54 10.680 16.517 17.348 412 HD13 ILE 54 3HD1 ILE 54 10.784 14.841 17.916 413 H ARG 55 H ARG 55 14.899 13.820 17.654 414 HA ARG 55 HA ARG 55 13.956 14.470 20.427 415 HB2 ARG 55 1HB ARG 55 15.624 12.612 20.472 416 HB3 ARG 55 2HB ARG 55 16.750 13.617 19.547 417 HG2 ARG 55 1HG ARG 55 16.781 15.272 21.400 418 HG3 ARG 55 2HG ARG 55 15.693 14.230 22.336 419 HD2 ARG 55 1HD ARG 55 17.367 12.444 22.300 420 HD3 ARG 55 2HD ARG 55 18.444 13.462 21.321 421 HE ARG 55 HE ARG 55 17.776 14.906 23.660 422 HH11 ARG 55 1HH1 ARG 55 19.639 12.019 22.823 423 HH12 ARG 55 2HH1 ARG 55 20.695 12.194 24.197 424 HH21 ARG 55 1HH2 ARG 55 19.185 15.073 25.373 425 HH22 ARG 55 2HH2 ARG 55 20.440 13.890 25.610 426 H GLY 56 H GLY 56 13.891 16.628 20.649 427 HA2 GLY 56 1HA GLY 56 15.360 18.289 18.687 428 HA3 GLY 56 2HA GLY 56 14.143 18.847 19.867 429 H GLY 57 H GLY 57 16.806 20.017 19.511 430 HA2 GLY 57 1HA GLY 57 18.499 19.037 21.662 431 HA3 GLY 57 2HA GLY 57 18.656 20.600 20.815 432 H ASP 58 H ASP 58 15.961 21.372 21.182 433 HA ASP 58 HA ASP 58 16.029 22.319 23.977 434 HB2 ASP 58 1HB ASP 58 15.726 23.767 21.866 435 HB3 ASP 58 2HB ASP 58 14.110 23.064 21.757 436 H GLY 59 H GLY 59 15.137 19.578 22.718 437 HA2 GLY 59 1HA GLY 59 13.944 17.914 23.797 438 HA3 GLY 59 2HA GLY 59 13.154 19.131 24.792 439 H LYS 60 H LYS 60 12.405 20.444 22.044 440 HA LYS 60 HA LYS 60 9.735 19.648 22.100 441 HB2 LYS 60 1HB LYS 60 11.462 21.071 20.094 442 HB3 LYS 60 2HB LYS 60 9.782 20.666 19.688 443 HG2 LYS 60 1HG LYS 60 9.271 22.642 20.659 444 HG3 LYS 60 2HG LYS 60 9.434 21.728 22.162 445 HD2 LYS 60 1HD LYS 60 10.671 23.676 22.533 446 HD3 LYS 60 2HD LYS 60 11.887 22.442 22.179 447 HE2 LYS 60 1HE LYS 60 12.620 23.549 20.373 448 HE3 LYS 60 2HE LYS 60 10.968 23.788 19.748 449 HZ1 LYS 60 1HZ LYS 60 12.014 25.913 20.296 450 HZ2 LYS 60 2HZ LYS 60 12.274 25.435 21.856 451 HZ3 LYS 60 3HZ LYS 60 10.733 25.656 21.305 452 H MET 61 H MET 61 8.580 18.106 21.436 453 HA MET 61 HA MET 61 9.755 16.016 19.675 454 HB2 MET 61 1HB MET 61 7.426 15.922 21.625 455 HB3 MET 61 2HB MET 61 7.991 14.570 20.641 456 HG2 MET 61 1HG MET 61 10.240 14.805 21.759 457 HG3 MET 61 2HG MET 61 9.482 15.960 22.873 458 HE1 MET 61 1HE MET 61 8.296 12.400 21.268 459 HE2 MET 61 2HE MET 61 8.758 11.398 22.664 460 HE3 MET 61 3HE MET 61 10.000 12.324 21.784 461 H LYS 62 H LYS 62 7.819 14.683 18.650 462 HA LYS 62 HA LYS 62 5.945 16.524 17.203 463 HB2 LYS 62 1HB LYS 62 8.158 14.856 16.231 464 HB3 LYS 62 2HB LYS 62 6.631 14.370 15.511 465 HG2 LYS 62 1HG LYS 62 7.880 15.957 14.153 466 HG3 LYS 62 2HG LYS 62 6.254 16.499 14.583 467 HD2 LYS 62 1HD LYS 62 7.102 18.011 16.235 468 HD3 LYS 62 2HD LYS 62 8.745 17.370 16.061 469 HE2 LYS 62 1HE LYS 62 8.950 18.294 13.851 470 HE3 LYS 62 2HE LYS 62 7.213 18.664 13.778 471 HZ1 LYS 62 1HZ LYS 62 8.730 20.580 14.307 472 HZ2 LYS 62 2HZ LYS 62 8.960 19.911 15.800 473 HZ3 LYS 62 3HZ LYS 62 7.444 20.379 15.317 474 H ASP 63 H ASP 63 6.881 13.242 17.886 475 HA ASP 63 HA ASP 63 4.442 11.936 17.225 476 HB2 ASP 63 1HB ASP 63 7.008 11.211 17.844 477 HB3 ASP 63 2HB ASP 63 6.148 10.666 19.283 478 H LEU 64 H LEU 64 3.761 10.235 19.123 479 HA LEU 64 HA LEU 64 2.557 9.797 20.968 480 HB2 LEU 64 1HB LEU 64 4.219 11.653 22.027 481 HB3 LEU 64 2HB LEU 64 2.690 12.499 22.201 482 HG LEU 64 HG LEU 64 3.079 11.429 24.257 483 HD11 LEU 64 1HD1 LEU 64 1.258 9.852 24.515 484 HD12 LEU 64 2HD1 LEU 64 1.232 9.534 22.763 485 HD13 LEU 64 3HD1 LEU 64 0.765 11.133 23.386 486 HD21 LEU 64 1HD2 LEU 64 3.659 9.063 24.517 487 HD22 LEU 64 2HD2 LEU 64 4.856 9.892 23.502 488 HD23 LEU 64 3HD2 LEU 64 3.631 8.838 22.753 489 H SER 65 H SER 65 2.032 13.204 19.958 490 HA SER 65 HA SER 65 -0.896 12.691 19.899 491 HB2 SER 65 1HB SER 65 -0.937 15.121 19.216 492 HB3 SER 65 2HB SER 65 -0.201 14.827 20.807 493 HG SER 65 HG SER 65 1.429 14.834 18.512 494 HA PRO 66 HA PRO 66 -0.188 11.717 15.620 495 HB2 PRO 66 1HB PRO 66 -2.728 11.656 14.614 496 HB3 PRO 66 2HB PRO 66 -2.081 10.358 15.669 497 HG2 PRO 66 1HG PRO 66 -3.792 12.704 16.392 498 HG3 PRO 66 2HG PRO 66 -4.009 10.983 16.816 499 HD2 PRO 66 1HD PRO 66 -2.885 12.770 18.532 500 HD3 PRO 66 2HD PRO 66 -2.334 11.059 18.452 501 H ARG 67 H ARG 67 -0.026 12.853 13.640 502 HA ARG 67 HA ARG 67 -0.938 15.704 13.796 503 HB2 ARG 67 1HB ARG 67 1.598 14.684 12.486 504 HB3 ARG 67 2HB ARG 67 1.134 16.361 12.797 505 HG2 ARG 67 1HG ARG 67 1.248 15.838 15.255 506 HG3 ARG 67 2HG ARG 67 1.933 14.258 14.817 507 HD2 ARG 67 1HD ARG 67 3.940 15.142 14.540 508 HD3 ARG 67 2HD ARG 67 3.300 16.328 13.384 509 HE ARG 67 HE ARG 67 3.046 16.758 16.327 510 HH11 ARG 67 1HH1 ARG 67 4.273 17.889 13.207 511 HH12 ARG 67 2HH1 ARG 67 4.714 19.458 13.841 512 HH21 ARG 67 1HH2 ARG 67 3.628 18.779 17.052 513 HH22 ARG 67 2HH2 ARG 67 4.392 19.928 15.972 514 H TRP 68 H TRP 68 -1.225 16.741 11.737 515 HA TRP 68 HA TRP 68 -1.550 14.858 9.445 516 HB2 TRP 68 1HB TRP 68 -3.526 16.911 10.464 517 HB3 TRP 68 2HB TRP 68 -3.603 16.205 8.848 518 HD1 TRP 68 HD1 TRP 68 -3.819 15.076 12.556 519 HE1 TRP 68 HE1 TRP 68 -5.270 12.990 12.744 520 HE3 TRP 68 HE3 TRP 68 -4.578 14.281 7.559 521 HZ2 TRP 68 HZ2 TRP 68 -6.598 11.247 10.961 522 HZ3 TRP 68 HZ3 TRP 68 -6.024 12.362 6.858 523 HH2 TRP 68 HH2 TRP 68 -7.043 10.860 8.591 524 H TYR 69 H TYR 69 -0.564 15.599 7.660 525 HA TYR 69 HA TYR 69 0.325 18.477 7.652 526 HB2 TYR 69 1HB TYR 69 1.495 15.976 6.369 527 HB3 TYR 69 2HB TYR 69 2.066 17.614 6.040 528 HD1 TYR 69 HD1 TYR 69 1.605 15.173 8.907 529 HD2 TYR 69 HD2 TYR 69 3.770 18.573 7.390 530 HE1 TYR 69 HE1 TYR 69 3.197 15.028 10.818 531 HE2 TYR 69 HE2 TYR 69 5.362 18.403 9.305 532 HH TYR 69 HH TYR 69 5.091 15.804 11.757 533 H PHE 70 H PHE 70 -0.102 19.661 5.702 534 HA PHE 70 HA PHE 70 -2.317 18.492 4.128 535 HB2 PHE 70 1HB PHE 70 -2.719 20.686 5.124 536 HB3 PHE 70 2HB PHE 70 -1.271 21.333 4.342 537 HD1 PHE 70 HD1 PHE 70 -1.378 22.241 2.156 538 HD2 PHE 70 HD2 PHE 70 -4.615 19.808 3.591 539 HE1 PHE 70 HE1 PHE 70 -2.721 22.861 0.154 540 HE2 PHE 70 HE2 PHE 70 -5.953 20.399 1.575 541 HZ PHE 70 HZ PHE 70 -5.016 21.940 -0.144 542 H TYR 71 H TYR 71 -2.213 18.057 2.031 543 HA TYR 71 HA TYR 71 0.235 18.835 0.522 544 HB2 TYR 71 1HB TYR 71 -0.634 16.180 1.443 545 HB3 TYR 71 2HB TYR 71 -0.285 16.256 -0.304 546 HD1 TYR 71 HD1 TYR 71 1.137 16.716 3.110 547 HD2 TYR 71 HD2 TYR 71 2.001 16.532 -1.098 548 HE1 TYR 71 HE1 TYR 71 3.571 16.591 3.613 549 HE2 TYR 71 HE2 TYR 71 4.442 16.421 -0.594 550 HH TYR 71 HH TYR 71 6.040 16.403 1.006 551 H TYR 72 H TYR 72 -0.123 18.684 -1.791 552 HA TYR 72 HA TYR 72 -2.870 19.525 -2.389 553 HB2 TYR 72 1HB TYR 72 -0.260 19.689 -3.916 554 HB3 TYR 72 2HB TYR 72 -1.815 20.247 -4.547 555 HD1 TYR 72 HD1 TYR 72 0.678 20.806 -1.799 556 HD2 TYR 72 HD2 TYR 72 -2.791 22.335 -3.849 557 HE1 TYR 72 HE1 TYR 72 0.889 22.965 -0.568 558 HE2 TYR 72 HE2 TYR 72 -2.540 24.495 -2.639 559 HH TYR 72 HH TYR 72 -1.139 25.761 -1.289 560 H LEU 73 H LEU 73 -3.942 18.888 -4.380 561 HA LEU 73 HA LEU 73 -4.392 16.123 -4.481 562 HB2 LEU 73 1HB LEU 73 -5.616 18.297 -5.484 563 HB3 LEU 73 2HB LEU 73 -4.797 17.786 -6.943 564 HG LEU 73 HG LEU 73 -7.004 16.385 -5.430 565 HD11 LEU 73 1HD1 LEU 73 -8.189 16.612 -7.506 566 HD12 LEU 73 2HD1 LEU 73 -6.718 17.106 -8.365 567 HD13 LEU 73 3HD1 LEU 73 -7.442 18.180 -7.157 568 HD21 LEU 73 1HD2 LEU 73 -6.868 14.560 -7.138 569 HD22 LEU 73 2HD2 LEU 73 -5.532 14.557 -5.983 570 HD23 LEU 73 3HD2 LEU 73 -5.280 15.190 -7.628 571 H GLY 74 H GLY 74 -3.366 14.435 -5.407 572 HA2 GLY 74 1HA GLY 74 -2.081 13.248 -6.896 573 HA3 GLY 74 2HA GLY 74 -2.159 14.641 -7.977 574 H THR 75 H THR 75 -0.660 14.579 -4.692 575 HA THR 75 HA THR 75 1.845 15.479 -5.996 576 HB THR 75 HB THR 75 2.543 15.341 -3.407 577 HG1 THR 75 HG1 THR 75 -0.248 15.853 -3.189 578 HG21 THR 75 1HG2 THR 75 1.575 17.635 -3.066 579 HG22 THR 75 2HG2 THR 75 0.701 17.446 -4.603 580 HG23 THR 75 3HG2 THR 75 2.483 17.450 -4.580 581 H GLY 76 H GLY 76 3.717 14.252 -5.992 582 HA2 GLY 76 1HA GLY 76 4.998 12.281 -5.586 583 HA3 GLY 76 2HA GLY 76 3.524 11.422 -5.070 584 HA PRO 77 HA PRO 77 4.220 11.687 -9.840 585 HB2 PRO 77 1HB PRO 77 5.852 9.595 -10.552 586 HB3 PRO 77 2HB PRO 77 6.454 11.217 -10.118 587 HG2 PRO 77 1HG PRO 77 6.246 8.789 -8.363 588 HG3 PRO 77 2HG PRO 77 7.652 9.868 -8.635 589 HD2 PRO 77 1HD PRO 77 6.052 10.185 -6.493 590 HD3 PRO 77 2HD PRO 77 6.708 11.609 -7.374 591 H GLU 78 H GLU 78 4.227 8.562 -8.135 592 HA GLU 78 HA GLU 78 2.036 7.634 -9.958 593 HB2 GLU 78 1HB GLU 78 4.166 6.010 -8.516 594 HB3 GLU 78 2HB GLU 78 2.836 5.341 -9.478 595 HG2 GLU 78 1HG GLU 78 3.711 6.565 -11.468 596 HG3 GLU 78 2HG GLU 78 5.102 7.085 -10.499 597 H ALA 79 H ALA 79 1.528 9.281 -7.818 598 HA ALA 79 HA ALA 79 1.050 7.928 -5.356 599 HB1 ALA 79 1HB ALA 79 1.165 10.369 -5.645 600 HB2 ALA 79 2HB ALA 79 -0.334 9.872 -4.827 601 HB3 ALA 79 3HB ALA 79 -0.366 10.339 -6.546 602 H GLY 80 H GLY 80 -0.824 8.150 -8.321 603 HA2 GLY 80 1HA GLY 80 -2.732 7.069 -8.997 604 HA3 GLY 80 2HA GLY 80 -2.377 5.875 -7.742 605 H LEU 81 H LEU 81 -3.037 9.267 -6.909 606 HA LEU 81 HA LEU 81 -5.591 8.327 -5.738 607 HB2 LEU 81 1HB LEU 81 -3.384 10.124 -4.780 608 HB3 LEU 81 2HB LEU 81 -5.015 10.365 -4.218 609 HG LEU 81 HG LEU 81 -3.418 7.831 -3.833 610 HD11 LEU 81 1HD1 LEU 81 -4.193 10.062 -1.906 611 HD12 LEU 81 2HD1 LEU 81 -2.566 9.772 -2.564 612 HD13 LEU 81 3HD1 LEU 81 -3.310 8.584 -1.484 613 HD21 LEU 81 1HD2 LEU 81 -5.267 7.234 -2.252 614 HD22 LEU 81 2HD2 LEU 81 -5.815 7.327 -3.938 615 HD23 LEU 81 3HD2 LEU 81 -6.169 8.651 -2.803 616 HA PRO 82 HA PRO 82 -7.169 11.815 -8.161 617 HB2 PRO 82 1HB PRO 82 -9.655 10.766 -8.521 618 HB3 PRO 82 2HB PRO 82 -8.263 10.213 -9.510 619 HG2 PRO 82 1HG PRO 82 -9.499 8.945 -7.086 620 HG3 PRO 82 2HG PRO 82 -8.986 8.188 -8.615 621 HD2 PRO 82 1HD PRO 82 -7.500 8.147 -6.363 622 HD3 PRO 82 2HD PRO 82 -6.806 8.075 -8.000 623 H TYR 83 H TYR 83 -9.080 13.234 -7.488 624 HA TYR 83 HA TYR 83 -9.048 13.627 -4.668 625 HB2 TYR 83 1HB TYR 83 -9.565 15.388 -6.341 626 HB3 TYR 83 2HB TYR 83 -11.097 14.582 -6.697 627 HD1 TYR 83 HD1 TYR 83 -9.179 16.468 -4.132 628 HD2 TYR 83 HD2 TYR 83 -12.992 14.757 -5.157 629 HE1 TYR 83 HE1 TYR 83 -10.240 17.703 -2.263 630 HE2 TYR 83 HE2 TYR 83 -14.045 15.992 -3.261 631 HH TYR 83 HH TYR 83 -13.709 17.377 -1.481 632 H GLY 84 H GLY 84 -10.221 12.780 -3.051 633 HA2 GLY 84 1HA GLY 84 -12.170 11.950 -2.049 634 HA3 GLY 84 2HA GLY 84 -12.847 11.579 -3.634 635 H ALA 85 H ALA 85 -9.838 10.252 -3.884 636 HA ALA 85 HA ALA 85 -10.848 7.599 -3.563 637 HB1 ALA 85 1HB ALA 85 -9.114 7.869 -5.085 638 HB2 ALA 85 2HB ALA 85 -8.383 6.983 -3.734 639 HB3 ALA 85 3HB ALA 85 -8.083 8.732 -3.924 640 H ASN 86 H ASN 86 -10.958 6.238 -1.927 641 HA ASN 86 HA ASN 86 -10.385 7.204 0.746 642 HB2 ASN 86 1HB ASN 86 -12.342 5.743 0.067 643 HB3 ASN 86 2HB ASN 86 -11.200 4.404 -0.129 644 HD21 ASN 86 1HD2 ASN 86 -12.767 5.095 3.430 645 HD22 ASN 86 2HD2 ASN 86 -13.409 5.655 1.904 646 H LYS 87 H LYS 87 -8.636 6.876 1.974 647 HA LYS 87 HA LYS 87 -6.951 4.513 1.643 648 HB2 LYS 87 1HB LYS 87 -6.059 6.080 -0.064 649 HB3 LYS 87 2HB LYS 87 -5.858 7.305 1.160 650 HG2 LYS 87 1HG LYS 87 -4.055 6.214 2.193 651 HG3 LYS 87 2HG LYS 87 -4.481 4.632 1.485 652 HD2 LYS 87 1HD LYS 87 -3.536 6.997 -0.126 653 HD3 LYS 87 2HD LYS 87 -2.439 5.772 0.515 654 HE2 LYS 87 1HE LYS 87 -3.598 4.013 -0.790 655 HE3 LYS 87 2HE LYS 87 -4.755 5.200 -1.406 656 HZ1 LYS 87 1HZ LYS 87 -3.019 4.744 -3.027 657 HZ2 LYS 87 2HZ LYS 87 -1.838 5.221 -1.982 658 HZ3 LYS 87 3HZ LYS 87 -2.929 6.319 -2.555 659 H ASP 88 H ASP 88 -5.617 4.300 3.566 660 HA ASP 88 HA ASP 88 -6.944 5.316 5.901 661 HB2 ASP 88 1HB ASP 88 -5.717 3.147 5.838 662 HB3 ASP 88 2HB ASP 88 -4.195 4.041 5.688 663 H GLY 89 H GLY 89 -6.567 7.022 7.159 664 HA2 GLY 89 1HA GLY 89 -5.571 8.921 7.986 665 HA3 GLY 89 2HA GLY 89 -4.038 8.348 7.320 666 H ILE 90 H ILE 90 -6.796 8.824 5.179 667 HA ILE 90 HA ILE 90 -5.552 11.372 4.234 668 HB ILE 90 HB ILE 90 -6.729 9.135 2.493 669 HG12 ILE 90 1HG1 ILE 90 -4.498 8.566 3.358 670 HG13 ILE 90 2HG1 ILE 90 -4.501 8.807 1.620 671 HG21 ILE 90 1HG2 ILE 90 -7.230 11.262 1.448 672 HG22 ILE 90 2HG2 ILE 90 -5.839 10.587 0.582 673 HG23 ILE 90 3HG2 ILE 90 -5.601 11.887 1.774 674 HD11 ILE 90 1HD1 ILE 90 -3.631 10.997 3.483 675 HD12 ILE 90 2HD1 ILE 90 -3.322 10.794 1.742 676 HD13 ILE 90 3HD1 ILE 90 -2.544 9.703 2.907 677 H ILE 91 H ILE 91 -6.874 13.017 4.132 678 HA ILE 91 HA ILE 91 -9.784 12.489 3.672 679 HB ILE 91 HB ILE 91 -10.323 14.459 5.138 680 HG12 ILE 91 1HG1 ILE 91 -7.936 14.246 6.811 681 HG13 ILE 91 2HG1 ILE 91 -7.528 14.787 5.213 682 HG21 ILE 91 1HG2 ILE 91 -10.299 13.241 7.233 683 HG22 ILE 91 2HG2 ILE 91 -8.999 12.168 6.652 684 HG23 ILE 91 3HG2 ILE 91 -10.614 12.097 5.909 685 HD11 ILE 91 1HD1 ILE 91 -8.019 16.683 6.686 686 HD12 ILE 91 2HD1 ILE 91 -9.669 16.070 6.924 687 HD13 ILE 91 3HD1 ILE 91 -9.130 16.605 5.310 688 H TRP 92 H TRP 92 -10.496 13.512 1.920 689 HA TRP 92 HA TRP 92 -8.717 15.469 0.639 690 HB2 TRP 92 1HB TRP 92 -11.293 14.131 -0.231 691 HB3 TRP 92 2HB TRP 92 -10.343 15.237 -1.225 692 HD1 TRP 92 HD1 TRP 92 -10.315 11.685 0.116 693 HE1 TRP 92 HE1 TRP 92 -8.509 10.311 -1.008 694 HE3 TRP 92 HE3 TRP 92 -7.988 15.516 -2.352 695 HZ2 TRP 92 HZ2 TRP 92 -6.318 10.810 -2.735 696 HZ3 TRP 92 HZ3 TRP 92 -5.996 14.980 -3.760 697 HH2 TRP 92 HH2 TRP 92 -5.173 12.625 -3.962 698 H VAL 93 H VAL 93 -9.101 17.587 0.285 699 HA VAL 93 HA VAL 93 -11.750 18.692 1.070 700 HB VAL 93 HB VAL 93 -10.554 20.633 2.179 701 HG11 VAL 93 1HG1 VAL 93 -10.188 19.502 4.317 702 HG12 VAL 93 2HG1 VAL 93 -10.106 17.925 3.500 703 HG13 VAL 93 3HG1 VAL 93 -11.626 18.849 3.508 704 HG21 VAL 93 1HG2 VAL 93 -8.259 20.385 2.942 705 HG22 VAL 93 2HG2 VAL 93 -8.282 20.186 1.180 706 HG23 VAL 93 3HG2 VAL 93 -8.142 18.761 2.234 707 H ALA 94 H ALA 94 -12.278 20.630 0.036 708 HA ALA 94 HA ALA 94 -10.487 21.862 -1.915 709 HB1 ALA 94 1HB ALA 94 -13.017 20.394 -2.844 710 HB2 ALA 94 2HB ALA 94 -11.361 19.858 -3.195 711 HB3 ALA 94 3HB ALA 94 -11.948 21.398 -3.855 712 H THR 95 H THR 95 -11.841 23.739 -2.850 713 HA THR 95 HA THR 95 -14.177 24.379 -1.139 714 HB THR 95 HB THR 95 -12.072 25.500 -0.216 715 HG1 THR 95 HG1 THR 95 -14.133 26.349 0.170 716 HG21 THR 95 1HG2 THR 95 -12.293 27.172 -2.759 717 HG22 THR 95 2HG2 THR 95 -11.003 25.989 -2.431 718 HG23 THR 95 3HG2 THR 95 -11.175 27.426 -1.403 719 H GLU 96 H GLU 96 -15.138 26.564 -2.275 720 HA GLU 96 HA GLU 96 -15.859 25.628 -4.889 721 HB2 GLU 96 1HB GLU 96 -17.271 26.958 -3.289 722 HB3 GLU 96 2HB GLU 96 -16.318 28.389 -3.714 723 HG2 GLU 96 1HG GLU 96 -17.068 28.286 -6.004 724 HG3 GLU 96 2HG GLU 96 -17.788 26.686 -5.748 725 H GLY 97 H GLY 97 -15.103 26.138 -6.859 726 HA2 GLY 97 1HA GLY 97 -14.036 27.511 -8.466 727 HA3 GLY 97 2HA GLY 97 -13.220 28.399 -7.173 728 H ALA 98 H ALA 98 -12.712 25.471 -6.052 729 HA ALA 98 HA ALA 98 -10.047 25.296 -7.150 730 HB1 ALA 98 1HB ALA 98 -10.740 24.719 -4.802 731 HB2 ALA 98 2HB ALA 98 -9.742 23.509 -5.627 732 HB3 ALA 98 3HB ALA 98 -11.497 23.248 -5.468 733 H LEU 99 H LEU 99 -9.214 23.884 -8.692 734 HA LEU 99 HA LEU 99 -11.252 22.419 -10.288 735 HB2 LEU 99 1HB LEU 99 -8.413 23.299 -10.814 736 HB3 LEU 99 2HB LEU 99 -9.221 22.124 -11.837 737 HG LEU 99 HG LEU 99 -10.134 24.986 -11.419 738 HD11 LEU 99 1HD1 LEU 99 -9.352 25.242 -13.748 739 HD12 LEU 99 2HD1 LEU 99 -8.789 23.551 -13.743 740 HD13 LEU 99 3HD1 LEU 99 -8.029 24.754 -12.668 741 HD21 LEU 99 1HD2 LEU 99 -11.641 24.494 -13.354 742 HD22 LEU 99 2HD2 LEU 99 -12.066 23.583 -11.897 743 HD23 LEU 99 3HD2 LEU 99 -11.199 22.776 -13.230 744 H ASN 100 H ASN 100 -11.235 20.310 -10.679 745 HA ASN 100 HA ASN 100 -9.715 18.620 -8.823 746 HB2 ASN 100 1HB ASN 100 -11.967 18.139 -10.786 747 HB3 ASN 100 2HB ASN 100 -11.068 16.785 -10.088 748 HD21 ASN 100 1HD2 ASN 100 -13.246 16.705 -7.430 749 HD22 ASN 100 2HD2 ASN 100 -12.490 15.880 -8.772 750 H THR 101 H THR 101 -7.710 19.543 -10.067 751 HA THR 101 HA THR 101 -6.966 17.429 -12.044 752 HB THR 101 HB THR 101 -7.455 19.859 -13.014 753 HG1 THR 101 HG1 THR 101 -5.776 19.496 -14.531 754 HG21 THR 101 1HG2 THR 101 -5.521 21.317 -13.049 755 HG22 THR 101 2HG2 THR 101 -4.584 20.163 -12.061 756 HG23 THR 101 3HG2 THR 101 -5.995 21.020 -11.363 757 HA PRO 102 HA PRO 102 -3.624 16.989 -9.200 758 HB2 PRO 102 1HB PRO 102 -1.511 16.350 -10.822 759 HB3 PRO 102 2HB PRO 102 -2.819 15.183 -10.424 760 HG2 PRO 102 1HG PRO 102 -2.472 16.939 -12.843 761 HG3 PRO 102 2HG PRO 102 -2.860 15.191 -12.764 762 HD2 PRO 102 1HD PRO 102 -4.774 17.012 -13.136 763 HD3 PRO 102 2HD PRO 102 -5.055 15.598 -12.067 764 H LYS 103 H LYS 103 -1.835 18.039 -8.305 765 HA LYS 103 HA LYS 103 -0.403 20.039 -9.898 766 HB2 LYS 103 1HB LYS 103 -0.892 21.815 -8.102 767 HB3 LYS 103 2HB LYS 103 -2.022 21.531 -9.400 768 HG2 LYS 103 1HG LYS 103 -3.241 19.959 -7.627 769 HG3 LYS 103 2HG LYS 103 -2.317 20.918 -6.473 770 HD2 LYS 103 1HD LYS 103 -4.399 22.032 -6.724 771 HD3 LYS 103 2HD LYS 103 -3.216 22.967 -7.639 772 HE2 LYS 103 1HE LYS 103 -4.017 21.524 -9.695 773 HE3 LYS 103 2HE LYS 103 -5.423 21.165 -8.689 774 HZ1 LYS 103 1HZ LYS 103 -5.974 23.479 -8.652 775 HZ2 LYS 103 2HZ LYS 103 -5.665 23.111 -10.227 776 HZ3 LYS 103 3HZ LYS 103 -4.543 23.930 -9.343 777 H ASP 104 H ASP 104 0.781 17.986 -9.243 778 HA ASP 104 HA ASP 104 1.919 17.600 -6.708 779 HB2 ASP 104 1HB ASP 104 3.662 16.396 -7.904 780 HB3 ASP 104 2HB ASP 104 2.110 16.072 -8.686 781 H HIS 105 H HIS 105 2.744 19.798 -9.301 782 HA HIS 105 HA HIS 105 5.317 20.605 -8.486 783 HB2 HIS 105 1HB HIS 105 4.985 22.492 -9.982 784 HB3 HIS 105 2HB HIS 105 4.332 21.019 -10.709 785 HD1 HIS 105 HD1 HIS 105 1.756 20.904 -11.143 786 HD2 HIS 105 HD2 HIS 105 3.030 24.442 -9.272 787 HE1 HIS 105 HE1 HIS 105 -0.229 22.524 -11.157 788 H ILE 106 H ILE 106 2.391 21.294 -6.831 789 HA ILE 106 HA ILE 106 3.496 23.829 -5.757 790 HB ILE 106 HB ILE 106 0.890 22.415 -5.012 791 HG12 ILE 106 1HG1 ILE 106 1.393 24.722 -6.936 792 HG13 ILE 106 2HG1 ILE 106 1.011 23.065 -7.413 793 HG21 ILE 106 1HG2 ILE 106 1.773 24.042 -3.296 794 HG22 ILE 106 2HG2 ILE 106 0.302 24.655 -4.055 795 HG23 ILE 106 3HG2 ILE 106 1.883 25.299 -4.546 796 HD11 ILE 106 1HD1 ILE 106 -0.976 24.229 -7.594 797 HD12 ILE 106 2HD1 ILE 106 -0.755 25.042 -6.029 798 HD13 ILE 106 3HD1 ILE 106 -1.122 23.297 -6.087 799 H GLY 107 H GLY 107 2.683 20.487 -4.725 800 HA2 GLY 107 1HA GLY 107 3.388 20.988 -1.975 801 HA3 GLY 107 2HA GLY 107 3.093 19.420 -2.719 802 H THR 108 H THR 108 5.557 21.280 -4.235 803 HA THR 108 HA THR 108 7.576 19.386 -3.199 804 HB THR 108 HB THR 108 7.207 19.634 -5.664 805 HG1 THR 108 HG1 THR 108 9.739 20.424 -4.629 806 HG21 THR 108 1HG2 THR 108 7.881 21.587 -6.861 807 HG22 THR 108 2HG2 THR 108 8.546 22.351 -5.404 808 HG23 THR 108 3HG2 THR 108 6.790 22.155 -5.583 809 H ARG 109 H ARG 109 6.642 21.803 -1.590 810 HA ARG 109 HA ARG 109 8.620 23.841 -1.633 811 HB2 ARG 109 1HB ARG 109 6.532 23.915 -0.214 812 HB3 ARG 109 2HB ARG 109 7.273 22.711 0.847 813 HG2 ARG 109 1HG ARG 109 9.211 24.364 1.172 814 HG3 ARG 109 2HG ARG 109 8.224 25.565 0.343 815 HD2 ARG 109 1HD ARG 109 8.072 25.793 2.783 816 HD3 ARG 109 2HD ARG 109 6.512 25.370 2.080 817 HE ARG 109 HE ARG 109 6.552 23.318 3.158 818 HH11 ARG 109 1HH1 ARG 109 9.727 24.849 3.649 819 HH12 ARG 109 2HH1 ARG 109 10.148 23.699 4.880 820 HH21 ARG 109 1HH2 ARG 109 7.161 21.975 4.723 821 HH22 ARG 109 2HH2 ARG 109 8.737 22.099 5.481 822 H ASN 110 H ASN 110 10.707 23.932 -1.053 823 HA ASN 110 HA ASN 110 11.886 21.414 0.002 824 HB2 ASN 110 1HB ASN 110 12.792 23.593 -1.797 825 HB3 ASN 110 2HB ASN 110 14.001 23.046 -0.629 826 HD21 ASN 110 1HD2 ASN 110 13.993 21.015 -3.843 827 HD22 ASN 110 2HD2 ASN 110 13.866 22.735 -3.578 828 HA PRO 111 HA PRO 111 12.073 23.709 3.784 829 HB2 PRO 111 1HB PRO 111 13.531 22.009 5.345 830 HB3 PRO 111 2HB PRO 111 11.833 21.668 4.879 831 HG2 PRO 111 1HG PRO 111 14.372 20.678 3.597 832 HG3 PRO 111 2HG PRO 111 12.947 19.738 4.147 833 HD2 PRO 111 1HD PRO 111 13.243 20.459 1.563 834 HD3 PRO 111 2HD PRO 111 11.626 20.476 2.348 835 H ALA 112 H ALA 112 14.853 22.704 1.957 836 HA ALA 112 HA ALA 112 16.831 24.117 3.522 837 HB1 ALA 112 1HB ALA 112 17.417 22.246 2.000 838 HB2 ALA 112 2HB ALA 112 18.259 23.739 1.525 839 HB3 ALA 112 3HB ALA 112 16.840 23.192 0.602 840 H ASN 113 H ASN 113 14.527 24.963 1.023 841 HA ASN 113 HA ASN 113 15.945 27.518 0.491 842 HB2 ASN 113 1HB ASN 113 13.640 26.174 -0.962 843 HB3 ASN 113 2HB ASN 113 14.444 27.668 -1.454 844 HD21 ASN 113 1HD2 ASN 113 15.809 24.609 -3.219 845 HD22 ASN 113 2HD2 ASN 113 14.176 25.128 -2.872 846 H ASN 114 H ASN 114 13.019 26.256 1.977 847 HA ASN 114 HA ASN 114 12.300 28.996 2.775 848 HB2 ASN 114 1HB ASN 114 11.137 28.846 0.681 849 HB3 ASN 114 2HB ASN 114 10.483 27.243 1.093 850 HD21 ASN 114 1HD2 ASN 114 7.768 28.524 2.772 851 HD22 ASN 114 2HD2 ASN 114 8.522 27.262 1.829 852 H ALA 115 H ALA 115 10.915 29.148 4.524 853 HA ALA 115 HA ALA 115 10.783 26.711 6.189 854 HB1 ALA 115 1HB ALA 115 11.636 28.822 7.159 855 HB2 ALA 115 2HB ALA 115 10.151 28.290 7.984 856 HB3 ALA 115 3HB ALA 115 10.081 29.616 6.801 857 H ALA 116 H ALA 116 8.883 25.898 7.087 858 HA ALA 116 HA ALA 116 6.537 25.990 5.448 859 HB1 ALA 116 1HB ALA 116 7.243 23.999 6.800 860 HB2 ALA 116 2HB ALA 116 5.563 24.489 7.095 861 HB3 ALA 116 3HB ALA 116 6.826 24.898 8.278 862 H ILE 117 H ILE 117 4.572 26.884 5.771 863 HA ILE 117 HA ILE 117 4.485 29.340 7.381 864 HB ILE 117 HB ILE 117 2.418 28.013 5.583 865 HG12 ILE 117 1HG1 ILE 117 4.027 30.413 4.760 866 HG13 ILE 117 2HG1 ILE 117 4.740 28.811 4.607 867 HG21 ILE 117 1HG2 ILE 117 1.373 29.664 7.090 868 HG22 ILE 117 2HG2 ILE 117 1.406 30.299 5.440 869 HG23 ILE 117 3HG2 ILE 117 2.593 30.878 6.631 870 HD11 ILE 117 1HD1 ILE 117 3.689 29.479 2.519 871 HD12 ILE 117 2HD1 ILE 117 2.129 29.673 3.347 872 HD13 ILE 117 3HD1 ILE 117 2.872 28.058 3.216 873 H VAL 118 H VAL 118 3.196 29.569 9.306 874 HA VAL 118 HA VAL 118 2.285 27.197 10.681 875 HB VAL 118 HB VAL 118 1.515 30.140 11.072 876 HG11 VAL 118 1HG1 VAL 118 -0.172 28.674 12.083 877 HG12 VAL 118 2HG1 VAL 118 0.813 29.437 13.347 878 HG13 VAL 118 3HG1 VAL 118 1.099 27.741 12.907 879 HG21 VAL 118 1HG2 VAL 118 3.599 28.389 12.450 880 HG22 VAL 118 2HG2 VAL 118 3.132 30.018 12.988 881 HG23 VAL 118 3HG2 VAL 118 3.913 29.796 11.409 882 H LEU 119 H LEU 119 0.514 26.026 10.270 883 HA LEU 119 HA LEU 119 -1.175 26.689 8.063 884 HB2 LEU 119 1HB LEU 119 -0.532 24.414 8.970 885 HB3 LEU 119 2HB LEU 119 -1.723 24.645 10.239 886 HG LEU 119 HG LEU 119 -2.560 24.871 7.340 887 HD11 LEU 119 1HD1 LEU 119 -1.223 22.820 7.477 888 HD12 LEU 119 2HD1 LEU 119 -2.942 22.450 7.274 889 HD13 LEU 119 3HD1 LEU 119 -2.171 22.272 8.869 890 HD21 LEU 119 1HD2 LEU 119 -4.638 23.740 8.353 891 HD22 LEU 119 2HD2 LEU 119 -4.314 25.397 8.886 892 HD23 LEU 119 3HD2 LEU 119 -3.901 24.034 9.939 893 H GLN 120 H GLN 120 -3.032 27.743 7.914 894 HA GLN 120 HA GLN 120 -4.554 28.472 10.383 895 HB2 GLN 120 1HB GLN 120 -3.768 30.244 8.052 896 HB3 GLN 120 2HB GLN 120 -4.949 30.693 9.288 897 HG2 GLN 120 1HG GLN 120 -3.334 30.958 10.926 898 HG3 GLN 120 2HG GLN 120 -2.179 29.916 10.099 899 HE21 GLN 120 1HE2 GLN 120 -0.754 32.444 8.164 900 HE22 GLN 120 2HE2 GLN 120 -0.854 30.729 8.507 901 H LEU 121 H LEU 121 -6.818 28.958 9.843 902 HA LEU 121 HA LEU 121 -7.674 27.645 7.294 903 HB2 LEU 121 1HB LEU 121 -8.853 27.732 10.064 904 HB3 LEU 121 2HB LEU 121 -9.927 27.625 8.680 905 HG LEU 121 HG LEU 121 -7.776 25.598 9.352 906 HD11 LEU 121 1HD1 LEU 121 -9.556 25.614 10.993 907 HD12 LEU 121 2HD1 LEU 121 -9.786 24.207 9.934 908 HD13 LEU 121 3HD1 LEU 121 -10.793 25.653 9.725 909 HD21 LEU 121 1HD2 LEU 121 -9.982 25.604 7.236 910 HD22 LEU 121 2HD2 LEU 121 -9.024 24.174 7.685 911 HD23 LEU 121 3HD2 LEU 121 -8.233 25.574 6.947 912 HA PRO 122 HA PRO 122 -9.178 31.610 6.253 913 HB2 PRO 122 1HB PRO 122 -11.130 31.068 4.441 914 HB3 PRO 122 2HB PRO 122 -9.391 30.727 4.103 915 HG2 PRO 122 1HG PRO 122 -11.528 28.867 5.116 916 HG3 PRO 122 2HG PRO 122 -10.424 28.656 3.719 917 HD2 PRO 122 1HD PRO 122 -9.879 27.571 6.115 918 HD3 PRO 122 2HD PRO 122 -8.575 28.263 5.090 919 H GLN 123 H GLN 123 -11.152 32.981 6.138 920 HA GLN 123 HA GLN 123 -12.568 32.938 8.559 921 HB2 GLN 123 1HB GLN 123 -12.217 34.889 7.008 922 HB3 GLN 123 2HB GLN 123 -13.420 34.192 5.919 923 HG2 GLN 123 1HG GLN 123 -15.157 34.455 7.615 924 HG3 GLN 123 2HG GLN 123 -13.960 35.037 8.785 925 HE21 GLN 123 1HE2 GLN 123 -14.881 38.273 7.834 926 HE22 GLN 123 2HE2 GLN 123 -14.843 37.061 9.091 927 H GLY 124 H GLY 124 -14.360 31.934 9.264 928 HA2 GLY 124 1HA GLY 124 -16.500 30.978 9.051 929 HA3 GLY 124 2HA GLY 124 -16.250 30.781 7.315 930 H THR 125 H THR 125 -13.436 29.526 8.175 931 HA THR 125 HA THR 125 -14.664 26.842 8.666 932 HB THR 125 HB THR 125 -11.891 27.403 7.555 933 HG1 THR 125 HG1 THR 125 -13.585 28.229 6.201 934 HG21 THR 125 1HG2 THR 125 -12.369 25.103 8.501 935 HG22 THR 125 2HG2 THR 125 -12.045 25.106 6.762 936 HG23 THR 125 3HG2 THR 125 -13.704 24.956 7.354 937 H THR 126 H THR 126 -14.306 25.811 10.499 938 HA THR 126 HA THR 126 -12.123 26.785 12.284 939 HB THR 126 HB THR 126 -13.688 25.942 14.142 940 HG1 THR 126 HG1 THR 126 -15.897 25.928 13.521 941 HG21 THR 126 1HG2 THR 126 -14.618 28.314 12.484 942 HG22 THR 126 2HG2 THR 126 -13.270 28.337 13.648 943 HG23 THR 126 3HG2 THR 126 -14.928 28.036 14.214 944 H LEU 127 H LEU 127 -11.052 25.272 13.522 945 HA LEU 127 HA LEU 127 -10.748 22.669 12.296 946 HB2 LEU 127 1HB LEU 127 -9.780 23.732 14.955 947 HB3 LEU 127 2HB LEU 127 -9.257 22.230 14.248 948 HG LEU 127 HG LEU 127 -8.747 24.922 12.964 949 HD11 LEU 127 1HD1 LEU 127 -6.463 24.739 13.819 950 HD12 LEU 127 2HD1 LEU 127 -6.881 23.234 14.670 951 HD13 LEU 127 3HD1 LEU 127 -7.627 24.770 15.163 952 HD21 LEU 127 1HD2 LEU 127 -7.116 23.679 11.635 953 HD22 LEU 127 2HD2 LEU 127 -8.712 22.939 11.458 954 HD23 LEU 127 3HD2 LEU 127 -7.503 22.180 12.511 955 HA PRO 128 HA PRO 128 -13.780 20.625 14.760 956 HB2 PRO 128 1HB PRO 128 -12.923 18.034 14.788 957 HB3 PRO 128 2HB PRO 128 -13.536 18.827 13.303 958 HG2 PRO 128 1HG PRO 128 -10.746 18.332 14.172 959 HG3 PRO 128 2HG PRO 128 -11.489 18.127 12.567 960 HD2 PRO 128 1HD PRO 128 -9.967 20.307 13.327 961 HD3 PRO 128 2HD PRO 128 -11.222 20.383 12.058 962 H LYS 129 H LYS 129 -13.971 19.213 16.816 963 HA LYS 129 HA LYS 129 -12.734 20.657 18.869 964 HB2 LYS 129 1HB LYS 129 -14.847 19.276 18.973 965 HB3 LYS 129 2HB LYS 129 -13.840 17.837 19.148 966 HG2 LYS 129 1HG LYS 129 -13.470 20.158 21.051 967 HG3 LYS 129 2HG LYS 129 -14.855 19.078 21.265 968 HD2 LYS 129 1HD LYS 129 -13.374 17.139 21.509 969 HD3 LYS 129 2HD LYS 129 -11.957 18.146 21.181 970 HE2 LYS 129 1HE LYS 129 -12.557 19.548 23.182 971 HE3 LYS 129 2HE LYS 129 -13.806 18.347 23.575 972 HZ1 LYS 129 1HZ LYS 129 -11.711 17.925 24.744 973 HZ2 LYS 129 2HZ LYS 129 -10.899 17.773 23.315 974 HZ3 LYS 129 3HZ LYS 129 -12.060 16.675 23.728 975 H GLY 130 H GLY 130 -10.795 20.742 19.651 976 HA2 GLY 130 1HA GLY 130 -9.048 19.789 20.908 977 HA3 GLY 130 2HA GLY 130 -9.354 18.230 20.155 978 H PHE 131 H PHE 131 -9.233 20.214 17.534 979 HA PHE 131 HA PHE 131 -6.449 19.519 17.078 980 HB2 PHE 131 1HB PHE 131 -8.811 20.221 15.470 981 HB3 PHE 131 2HB PHE 131 -7.313 20.974 14.915 982 HD1 PHE 131 HD1 PHE 131 -5.395 19.628 14.211 983 HD2 PHE 131 HD2 PHE 131 -9.129 17.834 15.309 984 HE1 PHE 131 HE1 PHE 131 -4.702 17.512 13.087 985 HE2 PHE 131 HE2 PHE 131 -8.467 15.742 14.175 986 HZ PHE 131 HZ PHE 131 -6.245 15.578 13.062 987 H TYR 132 H TYR 132 -4.900 20.852 16.709 988 HA TYR 132 HA TYR 132 -5.320 23.772 16.710 989 HB2 TYR 132 1HB TYR 132 -3.611 24.195 18.385 990 HB3 TYR 132 2HB TYR 132 -4.927 23.251 19.079 991 HD1 TYR 132 HD1 TYR 132 -1.351 23.389 18.411 992 HD2 TYR 132 HD2 TYR 132 -4.575 20.732 19.482 993 HE1 TYR 132 HE1 TYR 132 0.290 21.737 19.304 994 HE2 TYR 132 HE2 TYR 132 -2.922 19.092 20.362 995 HH TYR 132 HH TYR 132 -0.707 18.634 20.745 996 H ALA 133 H ALA 133 -3.257 24.878 16.008 997 HA ALA 133 HA ALA 133 -1.942 23.139 13.987 998 HB1 ALA 133 1HB ALA 133 -3.186 25.098 13.123 999 HB2 ALA 133 2HB ALA 133 -1.443 25.246 12.807 1000 HB3 ALA 133 3HB ALA 133 -2.188 26.172 14.126 1001 H GLU 134 H GLU 134 0.260 23.069 13.731 1002 HA GLU 134 HA GLU 134 1.821 23.590 16.144 1003 HB2 GLU 134 1HB GLU 134 2.365 21.677 14.780 1004 HB3 GLU 134 2HB GLU 134 2.493 22.671 13.336 1005 HG2 GLU 134 1HG GLU 134 4.516 23.713 14.140 1006 HG3 GLU 134 2HG GLU 134 4.353 22.891 15.705 1007 H GLY 135 H GLY 135 3.029 25.375 16.597 1008 HA2 GLY 135 1HA GLY 135 4.256 27.329 16.081 1009 HA3 GLY 135 2HA GLY 135 3.593 27.318 14.438 1010 H SER 136 H SER 136 1.015 26.658 16.336 1011 HA SER 136 HA SER 136 0.406 29.511 16.974 1012 HB2 SER 136 1HB SER 136 -0.699 28.654 14.829 1013 HB3 SER 136 2HB SER 136 -1.595 27.517 15.850 1014 HG SER 136 HG SER 136 -2.489 29.753 15.302 1015 H ARG 137 H ARG 137 -1.847 29.323 18.236 1016 HA ARG 137 HA ARG 137 -2.920 28.846 20.161 1017 HB2 ARG 137 1HB ARG 137 -3.123 26.624 18.953 1018 HB3 ARG 137 2HB ARG 137 -1.856 26.014 20.018 1019 HG2 ARG 137 1HG ARG 137 -4.272 27.319 21.259 1020 HG3 ARG 137 2HG ARG 137 -4.435 25.685 20.581 1021 HD2 ARG 137 1HD ARG 137 -2.541 24.923 21.966 1022 HD3 ARG 137 2HD ARG 137 -2.398 26.548 22.644 1023 HE ARG 137 HE ARG 137 -5.039 25.580 23.065 1024 HH11 ARG 137 1HH1 ARG 137 -1.737 25.161 24.252 1025 HH12 ARG 137 2HH1 ARG 137 -2.278 24.622 25.826 1026 HH21 ARG 137 1HH2 ARG 137 -5.648 24.911 25.112 1027 HH22 ARG 137 2HH2 ARG 137 -4.446 24.499 26.302 1028 H GLY 138 H GLY 138 0.363 27.351 20.446 1029 HA2 GLY 138 1HA GLY 138 1.920 27.731 22.137 1030 HA3 GLY 138 2HA GLY 138 0.866 29.003 22.779 1031 H GLY 139 H GLY 139 1.414 28.230 24.940 1032 HA2 GLY 139 1HA GLY 139 -0.416 26.998 26.391 1033 HA3 GLY 139 2HA GLY 139 0.327 25.570 25.637 1034 H SER 140 H SER 140 0.835 25.005 27.877 1035 HA SER 140 HA SER 140 3.269 26.386 28.908 1036 HB2 SER 140 1HB SER 140 1.425 24.382 30.280 1037 HB3 SER 140 2HB SER 140 2.760 25.286 31.028 1038 HG SER 140 HG SER 140 1.558 27.217 30.423 Start of MODEL 28 1 H1 GLY 1 1H GLY 1 15.886 0.619 7.918 2 H2 GLY 1 2H GLY 1 14.620 1.274 8.748 3 H3 GLY 1 3H GLY 1 15.477 2.202 7.690 4 HA2 GLY 1 1HA GLY 1 14.740 0.879 5.834 5 HA3 GLY 1 2HA GLY 1 13.821 -0.125 6.972 6 H ALA 2 H ALA 2 12.479 1.087 4.865 7 HA ALA 2 HA ALA 2 10.791 2.499 4.311 8 HB1 ALA 2 1HB ALA 2 9.738 1.297 6.217 9 HB2 ALA 2 2HB ALA 2 9.108 2.947 6.002 10 HB3 ALA 2 3HB ALA 2 10.268 2.603 7.307 11 H MET 3 H MET 3 13.196 3.741 4.302 12 HA MET 3 HA MET 3 12.528 6.536 5.113 13 HB2 MET 3 1HB MET 3 15.209 5.093 5.298 14 HB3 MET 3 2HB MET 3 15.009 6.840 5.472 15 HG2 MET 3 1HG MET 3 14.242 6.673 7.604 16 HG3 MET 3 2HG MET 3 13.314 5.204 7.269 17 HE1 MET 3 1HE MET 3 17.860 5.305 8.301 18 HE2 MET 3 2HE MET 3 16.787 6.724 8.307 19 HE3 MET 3 3HE MET 3 17.253 5.968 6.766 20 H GLY 4 H GLY 4 11.993 7.291 3.049 21 HA2 GLY 4 1HA GLY 4 13.978 7.514 1.043 22 HA3 GLY 4 2HA GLY 4 12.866 6.176 0.652 23 H LEU 5 H LEU 5 13.375 9.335 0.177 24 HA LEU 5 HA LEU 5 10.500 9.905 -0.360 25 HB2 LEU 5 1HB LEU 5 12.699 11.791 0.574 26 HB3 LEU 5 2HB LEU 5 11.115 12.293 0.028 27 HG LEU 5 HG LEU 5 11.627 10.630 2.508 28 HD11 LEU 5 1HD1 LEU 5 11.117 12.720 3.723 29 HD12 LEU 5 2HD1 LEU 5 10.980 13.592 2.177 30 HD13 LEU 5 3HD1 LEU 5 12.544 12.911 2.683 31 HD21 LEU 5 1HD2 LEU 5 9.275 11.228 3.066 32 HD22 LEU 5 2HD2 LEU 5 9.382 10.230 1.603 33 HD23 LEU 5 3HD2 LEU 5 9.099 11.984 1.465 34 HA PRO 6 HA PRO 6 12.236 10.297 -4.367 35 HB2 PRO 6 1HB PRO 6 10.641 12.063 -5.690 36 HB3 PRO 6 2HB PRO 6 10.041 10.460 -5.153 37 HG2 PRO 6 1HG PRO 6 9.782 13.124 -3.770 38 HG3 PRO 6 2HG PRO 6 8.497 11.952 -4.187 39 HD2 PRO 6 1HD PRO 6 9.594 12.008 -1.723 40 HD3 PRO 6 2HD PRO 6 9.167 10.445 -2.507 41 H ASN 7 H ASN 7 11.895 13.283 -2.510 42 HA ASN 7 HA ASN 7 14.448 14.276 -3.310 43 HB2 ASN 7 1HB ASN 7 12.716 15.036 -5.193 44 HB3 ASN 7 2HB ASN 7 12.069 16.082 -3.927 45 HD21 ASN 7 1HD2 ASN 7 15.093 17.374 -6.060 46 HD22 ASN 7 2HD2 ASN 7 13.930 16.158 -6.528 47 H ASN 8 H ASN 8 13.544 16.836 -2.128 48 HA ASN 8 HA ASN 8 13.278 15.955 0.629 49 HB2 ASN 8 1HB ASN 8 12.954 18.728 -0.573 50 HB3 ASN 8 2HB ASN 8 13.000 18.363 1.147 51 HD21 ASN 8 1HD2 ASN 8 16.575 17.125 0.306 52 HD22 ASN 8 2HD2 ASN 8 15.106 16.189 0.421 53 H THR 9 H THR 9 11.125 17.388 -1.771 54 HA THR 9 HA THR 9 8.868 17.988 -1.617 55 HB THR 9 HB THR 9 7.537 15.821 -1.629 56 HG1 THR 9 HG1 THR 9 9.206 14.723 -0.336 57 HG21 THR 9 1HG2 THR 9 8.426 15.141 -3.792 58 HG22 THR 9 2HG2 THR 9 9.957 15.969 -3.460 59 HG23 THR 9 3HG2 THR 9 8.464 16.911 -3.674 60 H ALA 10 H ALA 10 8.763 19.167 0.370 61 HA ALA 10 HA ALA 10 7.461 17.661 2.581 62 HB1 ALA 10 1HB ALA 10 9.618 18.800 3.077 63 HB2 ALA 10 2HB ALA 10 8.259 19.451 4.026 64 HB3 ALA 10 3HB ALA 10 8.875 20.351 2.616 65 H SER 11 H SER 11 5.672 18.588 3.628 66 HA SER 11 HA SER 11 3.691 19.770 1.945 67 HB2 SER 11 1HB SER 11 2.448 20.066 4.099 68 HB3 SER 11 2HB SER 11 3.108 18.431 3.909 69 HG SER 11 HG SER 11 3.858 20.480 5.662 70 H TRP 12 H TRP 12 2.900 21.890 1.826 71 HA TRP 12 HA TRP 12 4.824 23.970 2.293 72 HB2 TRP 12 1HB TRP 12 2.023 23.830 1.268 73 HB3 TRP 12 2HB TRP 12 2.644 25.397 1.816 74 HD1 TRP 12 HD1 TRP 12 2.932 22.968 -1.032 75 HE1 TRP 12 HE1 TRP 12 4.521 23.831 -2.823 76 HE3 TRP 12 HE3 TRP 12 4.881 26.887 1.606 77 HZ2 TRP 12 HZ2 TRP 12 6.453 25.904 -3.059 78 HZ3 TRP 12 HZ3 TRP 12 6.637 28.305 0.519 79 HH2 TRP 12 HH2 TRP 12 7.422 27.793 -1.791 80 H PHE 13 H PHE 13 2.337 22.653 4.310 81 HA PHE 13 HA PHE 13 2.517 25.061 6.061 82 HB2 PHE 13 1HB PHE 13 0.288 23.028 5.725 83 HB3 PHE 13 2HB PHE 13 0.316 24.314 6.933 84 HD1 PHE 13 HD1 PHE 13 0.051 26.660 6.319 85 HD2 PHE 13 HD2 PHE 13 -0.174 23.534 3.383 86 HE1 PHE 13 HE1 PHE 13 -0.989 28.248 4.717 87 HE2 PHE 13 HE2 PHE 13 -1.235 25.111 1.773 88 HZ PHE 13 HZ PHE 13 -1.615 27.483 2.435 89 H THR 14 H THR 14 2.295 24.730 8.311 90 HA THR 14 HA THR 14 4.000 22.619 9.290 91 HB THR 14 HB THR 14 3.417 23.504 11.519 92 HG1 THR 14 HG1 THR 14 1.917 25.119 11.746 93 HG21 THR 14 1HG2 THR 14 5.191 24.647 10.309 94 HG22 THR 14 2HG2 THR 14 4.236 25.808 11.258 95 HG23 THR 14 3HG2 THR 14 3.999 25.691 9.504 96 H ALA 15 H ALA 15 3.323 21.178 11.089 97 HA ALA 15 HA ALA 15 1.054 19.644 10.130 98 HB1 ALA 15 1HB ALA 15 1.895 17.914 11.527 99 HB2 ALA 15 2HB ALA 15 2.846 19.064 12.501 100 HB3 ALA 15 3HB ALA 15 3.306 18.721 10.821 101 H LEU 16 H LEU 16 -0.904 19.364 11.032 102 HA LEU 16 HA LEU 16 -1.643 20.907 13.436 103 HB2 LEU 16 1HB LEU 16 -3.062 19.010 11.552 104 HB3 LEU 16 2HB LEU 16 -3.756 19.389 13.110 105 HG LEU 16 HG LEU 16 -4.213 21.601 12.531 106 HD11 LEU 16 1HD1 LEU 16 -2.326 21.319 10.234 107 HD12 LEU 16 2HD1 LEU 16 -2.090 22.279 11.712 108 HD13 LEU 16 3HD1 LEU 16 -3.362 22.712 10.590 109 HD21 LEU 16 1HD2 LEU 16 -5.408 21.443 10.383 110 HD22 LEU 16 2HD2 LEU 16 -5.665 20.010 11.400 111 HD23 LEU 16 3HD2 LEU 16 -4.537 19.935 10.027 112 H THR 17 H THR 17 -2.133 19.999 15.434 113 HA THR 17 HA THR 17 -1.029 17.238 15.828 114 HB THR 17 HB THR 17 -1.615 19.372 17.914 115 HG1 THR 17 HG1 THR 17 0.419 20.029 17.705 116 HG21 THR 17 1HG2 THR 17 -0.020 16.774 17.946 117 HG22 THR 17 2HG2 THR 17 -1.481 17.161 18.893 118 HG23 THR 17 3HG2 THR 17 0.045 17.999 19.231 119 H GLN 18 H GLN 18 -2.374 15.661 16.591 120 HA GLN 18 HA GLN 18 -5.234 16.453 16.956 121 HB2 GLN 18 1HB GLN 18 -4.721 15.021 15.018 122 HB3 GLN 18 2HB GLN 18 -3.942 13.850 16.079 123 HG2 GLN 18 1HG GLN 18 -6.017 13.276 17.123 124 HG3 GLN 18 2HG GLN 18 -6.852 14.614 16.320 125 HE21 GLN 18 1HE2 GLN 18 -7.858 12.463 13.804 126 HE22 GLN 18 2HE2 GLN 18 -8.250 13.689 14.982 127 H HIS 19 H HIS 19 -6.129 16.210 18.854 128 HA HIS 19 HA HIS 19 -5.062 14.129 20.732 129 HB2 HIS 19 1HB HIS 19 -4.370 16.362 21.537 130 HB3 HIS 19 2HB HIS 19 -6.027 16.950 21.368 131 HD1 HIS 19 HD1 HIS 19 -3.808 15.027 23.696 132 HD2 HIS 19 HD2 HIS 19 -7.847 15.966 23.297 133 HE1 HIS 19 HE1 HIS 19 -4.916 14.459 25.899 134 H GLY 20 H GLY 20 -6.662 12.615 20.296 135 HA2 GLY 20 1HA GLY 20 -9.172 12.798 21.440 136 HA3 GLY 20 2HA GLY 20 -9.391 13.425 19.792 137 H LYS 21 H LYS 21 -10.842 11.400 19.913 138 HA LYS 21 HA LYS 21 -9.336 8.881 19.396 139 HB2 LYS 21 1HB LYS 21 -12.269 9.549 19.810 140 HB3 LYS 21 2HB LYS 21 -11.687 7.958 19.348 141 HG2 LYS 21 1HG LYS 21 -10.340 7.856 21.440 142 HG3 LYS 21 2HG LYS 21 -11.002 9.436 21.911 143 HD2 LYS 21 1HD LYS 21 -13.295 8.478 21.818 144 HD3 LYS 21 2HD LYS 21 -12.602 6.896 21.407 145 HE2 LYS 21 1HE LYS 21 -11.348 6.901 23.553 146 HE3 LYS 21 2HE LYS 21 -12.076 8.468 23.964 147 HZ1 LYS 21 1HZ LYS 21 -13.278 6.638 24.992 148 HZ2 LYS 21 2HZ LYS 21 -13.575 5.944 23.525 149 HZ3 LYS 21 3HZ LYS 21 -14.255 7.398 23.900 150 H GLU 22 H GLU 22 -10.893 11.397 17.728 151 HA GLU 22 HA GLU 22 -11.978 9.949 15.511 152 HB2 GLU 22 1HB GLU 22 -11.124 12.854 15.734 153 HB3 GLU 22 2HB GLU 22 -12.162 12.172 14.472 154 HG2 GLU 22 1HG GLU 22 -13.841 11.584 16.199 155 HG3 GLU 22 2HG GLU 22 -12.807 12.328 17.435 156 H ASP 23 H ASP 23 -11.362 10.445 13.231 157 HA ASP 23 HA ASP 23 -8.398 10.284 12.875 158 HB2 ASP 23 1HB ASP 23 -10.649 9.124 11.252 159 HB3 ASP 23 2HB ASP 23 -8.953 9.108 10.825 160 H LEU 24 H LEU 24 -10.223 12.509 12.969 161 HA LEU 24 HA LEU 24 -10.492 14.627 12.140 162 HB2 LEU 24 1HB LEU 24 -8.086 14.537 11.701 163 HB3 LEU 24 2HB LEU 24 -8.373 13.789 10.147 164 HG LEU 24 HG LEU 24 -9.425 15.852 9.316 165 HD11 LEU 24 1HD1 LEU 24 -10.096 16.806 11.591 166 HD12 LEU 24 2HD1 LEU 24 -9.346 17.939 10.451 167 HD13 LEU 24 3HD1 LEU 24 -8.393 17.272 11.789 168 HD21 LEU 24 1HD2 LEU 24 -7.333 17.132 9.134 169 HD22 LEU 24 2HD2 LEU 24 -7.059 15.389 8.943 170 HD23 LEU 24 3HD2 LEU 24 -6.639 16.188 10.474 171 H LYS 25 H LYS 25 -11.806 15.786 10.772 172 HA LYS 25 HA LYS 25 -12.446 14.732 8.129 173 HB2 LYS 25 1HB LYS 25 -13.940 13.465 9.798 174 HB3 LYS 25 2HB LYS 25 -14.673 15.020 10.190 175 HG2 LYS 25 1HG LYS 25 -16.122 13.953 8.639 176 HG3 LYS 25 2HG LYS 25 -15.298 15.227 7.728 177 HD2 LYS 25 1HD LYS 25 -13.699 13.536 6.845 178 HD3 LYS 25 2HD LYS 25 -14.545 12.277 7.764 179 HE2 LYS 25 1HE LYS 25 -16.629 12.801 6.507 180 HE3 LYS 25 2HE LYS 25 -15.724 13.995 5.547 181 HZ1 LYS 25 1HZ LYS 25 -15.855 11.848 4.426 182 HZ2 LYS 25 2HZ LYS 25 -15.117 11.092 5.692 183 HZ3 LYS 25 3HZ LYS 25 -14.285 12.196 4.794 184 H PHE 26 H PHE 26 -13.030 16.403 6.795 185 HA PHE 26 HA PHE 26 -13.907 18.934 8.100 186 HB2 PHE 26 1HB PHE 26 -11.997 18.493 5.798 187 HB3 PHE 26 2HB PHE 26 -12.936 19.984 5.931 188 HD1 PHE 26 HD1 PHE 26 -9.720 19.170 6.256 189 HD2 PHE 26 HD2 PHE 26 -12.908 20.543 8.837 190 HE1 PHE 26 HE1 PHE 26 -8.062 20.113 7.837 191 HE2 PHE 26 HE2 PHE 26 -11.235 21.522 10.377 192 HZ PHE 26 HZ PHE 26 -8.804 21.292 9.889 193 HA PRO 27 HA PRO 27 -17.500 18.209 5.505 194 HB2 PRO 27 1HB PRO 27 -18.523 20.777 5.528 195 HB3 PRO 27 2HB PRO 27 -18.661 19.650 6.914 196 HG2 PRO 27 1HG PRO 27 -16.638 21.800 6.441 197 HG3 PRO 27 2HG PRO 27 -17.647 21.500 7.883 198 HD2 PRO 27 1HD PRO 27 -15.140 20.635 7.805 199 HD3 PRO 27 2HD PRO 27 -16.424 19.586 8.474 200 H ARG 28 H ARG 28 -18.396 18.914 3.402 201 HA ARG 28 HA ARG 28 -16.340 19.393 1.484 202 HB2 ARG 28 1HB ARG 28 -18.680 18.175 1.366 203 HB3 ARG 28 2HB ARG 28 -19.291 19.782 0.971 204 HG2 ARG 28 1HG ARG 28 -18.913 19.089 -1.137 205 HG3 ARG 28 2HG ARG 28 -17.257 19.627 -0.806 206 HD2 ARG 28 1HD ARG 28 -18.285 16.796 -0.380 207 HD3 ARG 28 2HD ARG 28 -17.428 17.354 -1.813 208 HE ARG 28 HE ARG 28 -15.923 17.879 0.591 209 HH11 ARG 28 1HH1 ARG 28 -16.667 15.334 -1.740 210 HH12 ARG 28 2HH1 ARG 28 -15.193 14.467 -1.398 211 HH21 ARG 28 1HH2 ARG 28 -14.067 16.703 0.993 212 HH22 ARG 28 2HH2 ARG 28 -13.763 15.231 0.122 213 H GLY 29 H GLY 29 -15.832 21.187 0.230 214 HA2 GLY 29 1HA GLY 29 -15.909 23.378 -0.517 215 HA3 GLY 29 2HA GLY 29 -17.427 23.612 0.372 216 H GLN 30 H GLN 30 -14.905 22.212 2.214 217 HA GLN 30 HA GLN 30 -13.969 24.755 3.335 218 HB2 GLN 30 1HB GLN 30 -16.236 24.220 4.308 219 HB3 GLN 30 2HB GLN 30 -15.600 22.683 4.865 220 HG2 GLN 30 1HG GLN 30 -14.046 24.992 5.749 221 HG3 GLN 30 2HG GLN 30 -15.724 25.012 6.291 222 HE21 GLN 30 1HE2 GLN 30 -14.856 22.985 8.984 223 HE22 GLN 30 2HE2 GLN 30 -15.461 24.523 8.419 224 H GLY 31 H GLY 31 -12.344 24.188 5.109 225 HA2 GLY 31 1HA GLY 31 -11.062 22.546 6.267 226 HA3 GLY 31 2HA GLY 31 -11.335 21.406 4.948 227 H VAL 32 H VAL 32 -10.770 23.764 3.056 228 HA VAL 32 HA VAL 32 -7.955 23.189 2.760 229 HB VAL 32 HB VAL 32 -9.650 25.400 1.476 230 HG11 VAL 32 1HG1 VAL 32 -7.876 25.351 -0.274 231 HG12 VAL 32 2HG1 VAL 32 -6.939 24.232 0.718 232 HG13 VAL 32 3HG1 VAL 32 -7.266 25.887 1.285 233 HG21 VAL 32 1HG2 VAL 32 -9.787 23.878 -0.478 234 HG22 VAL 32 2HG2 VAL 32 -10.577 23.183 0.952 235 HG23 VAL 32 3HG2 VAL 32 -8.964 22.612 0.454 236 HA PRO 33 HA PRO 33 -6.816 26.330 5.731 237 HB2 PRO 33 1HB PRO 33 -4.107 26.278 5.311 238 HB3 PRO 33 2HB PRO 33 -5.002 25.003 6.186 239 HG2 PRO 33 1HG PRO 33 -4.111 25.034 3.351 240 HG3 PRO 33 2HG PRO 33 -3.933 23.755 4.575 241 HD2 PRO 33 1HD PRO 33 -5.859 23.642 2.764 242 HD3 PRO 33 2HD PRO 33 -6.116 23.093 4.443 243 H ILE 34 H ILE 34 -5.391 28.373 5.727 244 HA ILE 34 HA ILE 34 -6.172 29.965 3.413 245 HB ILE 34 HB ILE 34 -4.441 30.674 5.815 246 HG12 ILE 34 1HG1 ILE 34 -7.320 31.341 5.162 247 HG13 ILE 34 2HG1 ILE 34 -6.802 30.105 6.310 248 HG21 ILE 34 1HG2 ILE 34 -5.721 32.556 3.768 249 HG22 ILE 34 2HG2 ILE 34 -4.002 32.113 3.771 250 HG23 ILE 34 3HG2 ILE 34 -4.667 33.011 5.131 251 HD11 ILE 34 1HD1 ILE 34 -5.603 31.907 7.593 252 HD12 ILE 34 2HD1 ILE 34 -7.367 32.030 7.580 253 HD13 ILE 34 3HD1 ILE 34 -6.409 33.090 6.536 254 H ASN 35 H ASN 35 -5.183 29.779 1.609 255 HA ASN 35 HA ASN 35 -2.227 29.300 1.548 256 HB2 ASN 35 1HB ASN 35 -4.435 28.769 -0.453 257 HB3 ASN 35 2HB ASN 35 -2.727 28.654 -0.857 258 HD21 ASN 35 1HD2 ASN 35 -2.989 25.283 -0.139 259 HD22 ASN 35 2HD2 ASN 35 -2.725 26.524 -1.336 260 H THR 36 H THR 36 -1.752 31.537 1.913 261 HA THR 36 HA THR 36 -2.854 33.641 0.294 262 HB THR 36 HB THR 36 -1.039 35.011 1.274 263 HG1 THR 36 HG1 THR 36 0.533 33.977 2.540 264 HG21 THR 36 1HG2 THR 36 -1.574 34.726 3.594 265 HG22 THR 36 2HG2 THR 36 -2.004 33.017 3.345 266 HG23 THR 36 3HG2 THR 36 -3.034 34.309 2.672 267 H ASN 37 H ASN 37 -0.388 31.349 -0.313 268 HA ASN 37 HA ASN 37 0.714 33.001 -2.539 269 HB2 ASN 37 1HB ASN 37 2.809 31.635 -2.143 270 HB3 ASN 37 2HB ASN 37 2.353 32.743 -0.845 271 HD21 ASN 37 1HD2 ASN 37 2.183 30.347 1.594 272 HD22 ASN 37 2HD2 ASN 37 2.218 32.031 1.131 273 H SER 38 H SER 38 -1.628 31.175 -2.734 274 HA SER 38 HA SER 38 -0.448 29.418 -4.835 275 HB2 SER 38 1HB SER 38 -2.711 28.439 -3.107 276 HB3 SER 38 2HB SER 38 -1.599 27.513 -4.137 277 HG SER 38 HG SER 38 0.049 28.443 -2.572 278 H SER 39 H SER 39 -1.953 28.747 -6.479 279 HA SER 39 HA SER 39 -3.716 30.909 -7.265 280 HB2 SER 39 1HB SER 39 -3.462 28.091 -8.400 281 HB3 SER 39 2HB SER 39 -4.076 29.529 -9.245 282 HG SER 39 HG SER 39 -2.046 30.366 -9.292 283 HA PRO 40 HA PRO 40 -7.437 29.315 -5.509 284 HB2 PRO 40 1HB PRO 40 -9.384 29.668 -7.405 285 HB3 PRO 40 2HB PRO 40 -8.669 31.027 -6.476 286 HG2 PRO 40 1HG PRO 40 -7.930 30.039 -9.223 287 HG3 PRO 40 2HG PRO 40 -8.315 31.708 -8.690 288 HD2 PRO 40 1HD PRO 40 -5.766 30.883 -8.918 289 HD3 PRO 40 2HD PRO 40 -6.267 31.934 -7.546 290 H ASP 41 H ASP 41 -6.417 28.261 -8.687 291 HA ASP 41 HA ASP 41 -7.910 25.882 -9.017 292 HB2 ASP 41 1HB ASP 41 -4.993 26.364 -9.733 293 HB3 ASP 41 2HB ASP 41 -6.128 25.301 -10.564 294 H ASP 42 H ASP 42 -5.173 26.694 -7.010 295 HA ASP 42 HA ASP 42 -4.304 23.934 -6.652 296 HB2 ASP 42 1HB ASP 42 -2.748 25.866 -6.986 297 HB3 ASP 42 2HB ASP 42 -3.235 26.475 -5.409 298 H GLN 43 H GLN 43 -6.647 25.828 -5.170 299 HA GLN 43 HA GLN 43 -6.097 25.358 -2.416 300 HB2 GLN 43 1HB GLN 43 -8.746 25.729 -3.847 301 HB3 GLN 43 2HB GLN 43 -8.503 25.864 -2.110 302 HG2 GLN 43 1HG GLN 43 -7.325 27.633 -4.256 303 HG3 GLN 43 2HG GLN 43 -8.541 28.088 -3.066 304 HE21 GLN 43 1HE2 GLN 43 -4.703 28.716 -2.315 305 HE22 GLN 43 2HE2 GLN 43 -5.410 28.455 -3.895 306 H ILE 44 H ILE 44 -7.630 23.257 -4.818 307 HA ILE 44 HA ILE 44 -8.759 21.400 -2.968 308 HB ILE 44 HB ILE 44 -9.316 21.488 -5.390 309 HG12 ILE 44 1HG1 ILE 44 -8.280 18.725 -4.765 310 HG13 ILE 44 2HG1 ILE 44 -9.594 19.447 -3.834 311 HG21 ILE 44 1HG2 ILE 44 -7.107 21.854 -6.348 312 HG22 ILE 44 2HG2 ILE 44 -7.802 20.377 -7.024 313 HG23 ILE 44 3HG2 ILE 44 -6.571 20.250 -5.784 314 HD11 ILE 44 1HD1 ILE 44 -10.596 18.113 -5.551 315 HD12 ILE 44 2HD1 ILE 44 -9.586 18.848 -6.803 316 HD13 ILE 44 3HD1 ILE 44 -10.846 19.808 -5.999 317 H GLY 45 H GLY 45 -7.978 19.624 -1.897 318 HA2 GLY 45 1HA GLY 45 -5.449 18.417 -2.444 319 HA3 GLY 45 2HA GLY 45 -5.226 19.662 -1.202 320 H TYR 46 H TYR 46 -4.595 17.888 0.200 321 HA TYR 46 HA TYR 46 -6.952 16.929 1.659 322 HB2 TYR 46 1HB TYR 46 -6.434 14.594 1.505 323 HB3 TYR 46 2HB TYR 46 -6.528 15.213 -0.136 324 HD1 TYR 46 HD1 TYR 46 -4.430 15.499 -1.481 325 HD2 TYR 46 HD2 TYR 46 -4.435 13.772 2.463 326 HE1 TYR 46 HE1 TYR 46 -2.158 14.561 -1.907 327 HE2 TYR 46 HE2 TYR 46 -2.165 12.798 2.000 328 HH TYR 46 HH TYR 46 -0.432 12.603 0.510 329 H TYR 47 H TYR 47 -6.220 15.731 3.676 330 HA TYR 47 HA TYR 47 -3.565 16.828 4.549 331 HB2 TYR 47 1HB TYR 47 -6.009 16.103 6.156 332 HB3 TYR 47 2HB TYR 47 -4.441 16.402 6.863 333 HD1 TYR 47 HD1 TYR 47 -4.035 18.494 7.756 334 HD2 TYR 47 HD2 TYR 47 -6.845 18.217 4.496 335 HE1 TYR 47 HE1 TYR 47 -4.590 20.903 7.991 336 HE2 TYR 47 HE2 TYR 47 -7.378 20.609 4.767 337 HH TYR 47 HH TYR 47 -7.087 22.495 6.033 338 H ARG 48 H ARG 48 -2.088 15.455 5.284 339 HA ARG 48 HA ARG 48 -2.667 12.530 5.017 340 HB2 ARG 48 1HB ARG 48 -1.053 13.746 3.438 341 HB3 ARG 48 2HB ARG 48 0.003 13.988 4.819 342 HG2 ARG 48 1HG ARG 48 0.397 11.638 5.044 343 HG3 ARG 48 2HG ARG 48 -0.930 11.252 3.924 344 HD2 ARG 48 1HD ARG 48 0.292 12.496 2.128 345 HD3 ARG 48 2HD ARG 48 1.662 12.681 3.229 346 HE ARG 48 HE ARG 48 0.665 10.145 2.020 347 HH11 ARG 48 1HH1 ARG 48 3.210 11.795 3.834 348 HH12 ARG 48 2HH1 ARG 48 4.320 10.464 3.655 349 HH21 ARG 48 1HH2 ARG 48 2.132 8.495 1.845 350 HH22 ARG 48 2HH2 ARG 48 3.718 8.631 2.553 351 H ARG 49 H ARG 49 -2.533 11.361 6.842 352 HA ARG 49 HA ARG 49 -1.746 12.572 9.325 353 HB2 ARG 49 1HB ARG 49 -3.485 10.718 8.834 354 HB3 ARG 49 2HB ARG 49 -2.108 9.611 8.821 355 HG2 ARG 49 1HG ARG 49 -1.580 10.261 11.153 356 HG3 ARG 49 2HG ARG 49 -2.936 11.410 11.129 357 HD2 ARG 49 1HD ARG 49 -4.166 9.140 10.268 358 HD3 ARG 49 2HD ARG 49 -2.946 8.453 11.355 359 HE ARG 49 HE ARG 49 -4.113 10.535 12.793 360 HH11 ARG 49 1HH1 ARG 49 -5.340 7.592 11.255 361 HH12 ARG 49 2HH1 ARG 49 -6.700 7.491 12.366 362 HH21 ARG 49 1HH2 ARG 49 -5.857 10.293 14.177 363 HH22 ARG 49 2HH2 ARG 49 -6.968 8.944 13.960 364 H ALA 50 H ALA 50 -0.031 12.151 10.560 365 HA ALA 50 HA ALA 50 2.460 11.540 9.260 366 HB1 ALA 50 1HB ALA 50 1.973 13.257 11.014 367 HB2 ALA 50 2HB ALA 50 3.377 12.207 11.349 368 HB3 ALA 50 3HB ALA 50 1.826 11.921 12.178 369 H THR 51 H THR 51 3.997 10.078 10.493 370 HA THR 51 HA THR 51 3.081 7.403 10.264 371 HB THR 51 HB THR 51 5.430 8.059 9.942 372 HG1 THR 51 HG1 THR 51 5.214 5.950 10.537 373 HG21 THR 51 1HG2 THR 51 6.870 8.704 11.808 374 HG22 THR 51 2HG2 THR 51 5.503 8.591 12.938 375 HG23 THR 51 3HG2 THR 51 5.516 9.850 11.685 376 H ARG 52 H ARG 52 2.762 5.820 11.768 377 HA ARG 52 HA ARG 52 1.208 6.647 14.046 378 HB2 ARG 52 1HB ARG 52 0.891 4.635 12.479 379 HB3 ARG 52 2HB ARG 52 2.202 3.853 13.357 380 HG2 ARG 52 1HG ARG 52 0.149 2.998 14.219 381 HG3 ARG 52 2HG ARG 52 0.798 4.070 15.466 382 HD2 ARG 52 1HD ARG 52 -0.744 5.838 14.834 383 HD3 ARG 52 2HD ARG 52 -1.282 4.926 13.416 384 HE ARG 52 HE ARG 52 -1.941 4.345 16.257 385 HH11 ARG 52 1HH1 ARG 52 -2.505 3.586 12.840 386 HH12 ARG 52 2HH1 ARG 52 -3.921 2.641 13.198 387 HH21 ARG 52 1HH2 ARG 52 -3.752 3.107 16.616 388 HH22 ARG 52 2HH2 ARG 52 -4.608 2.376 15.285 389 H ARG 53 H ARG 53 1.576 6.333 16.242 390 HA ARG 53 HA ARG 53 4.408 6.112 17.068 391 HB2 ARG 53 1HB ARG 53 2.909 7.825 18.005 392 HB3 ARG 53 2HB ARG 53 1.853 6.584 18.668 393 HG2 ARG 53 1HG ARG 53 4.744 6.560 19.428 394 HG3 ARG 53 2HG ARG 53 3.726 7.855 20.071 395 HD2 ARG 53 1HD ARG 53 2.128 5.955 20.789 396 HD3 ARG 53 2HD ARG 53 3.530 4.895 20.552 397 HE ARG 53 HE ARG 53 4.266 7.215 22.102 398 HH11 ARG 53 1HH1 ARG 53 2.534 4.148 22.472 399 HH12 ARG 53 2HH1 ARG 53 2.848 4.081 24.187 400 HH21 ARG 53 1HH2 ARG 53 4.620 7.063 24.265 401 HH22 ARG 53 2HH2 ARG 53 4.001 5.715 25.189 402 H ILE 54 H ILE 54 5.229 4.372 17.856 403 HA ILE 54 HA ILE 54 3.482 2.026 18.379 404 HB ILE 54 HB ILE 54 4.692 0.604 16.949 405 HG12 ILE 54 1HG1 ILE 54 6.969 1.091 17.563 406 HG13 ILE 54 2HG1 ILE 54 6.814 1.088 15.819 407 HG21 ILE 54 1HG2 ILE 54 4.585 1.553 14.720 408 HG22 ILE 54 2HG2 ILE 54 4.728 3.209 15.346 409 HG23 ILE 54 3HG2 ILE 54 3.267 2.247 15.685 410 HD11 ILE 54 1HD1 ILE 54 8.304 2.837 16.478 411 HD12 ILE 54 2HD1 ILE 54 7.122 3.487 17.628 412 HD13 ILE 54 3HD1 ILE 54 6.813 3.593 15.878 413 H ARG 55 H ARG 55 4.945 0.141 19.178 414 HA ARG 55 HA ARG 55 6.892 1.163 21.229 415 HB2 ARG 55 1HB ARG 55 4.838 0.022 22.173 416 HB3 ARG 55 2HB ARG 55 5.208 -1.389 21.179 417 HG2 ARG 55 1HG ARG 55 7.543 -1.264 22.466 418 HG3 ARG 55 2HG ARG 55 6.566 -0.423 23.680 419 HD2 ARG 55 1HD ARG 55 5.949 -3.165 22.484 420 HD3 ARG 55 2HD ARG 55 6.730 -2.897 24.052 421 HE ARG 55 HE ARG 55 4.305 -1.477 24.105 422 HH11 ARG 55 1HH1 ARG 55 5.305 -4.861 23.911 423 HH12 ARG 55 2HH1 ARG 55 3.847 -5.430 24.679 424 HH21 ARG 55 1HH2 ARG 55 2.474 -2.284 25.084 425 HH22 ARG 55 2HH2 ARG 55 2.280 -3.998 25.326 426 H GLY 56 H GLY 56 8.959 0.724 20.481 427 HA2 GLY 56 1HA GLY 56 9.256 -1.390 18.426 428 HA3 GLY 56 2HA GLY 56 10.472 -0.188 18.891 429 H GLY 57 H GLY 57 10.492 -3.243 18.745 430 HA2 GLY 57 1HA GLY 57 10.571 -4.192 21.451 431 HA3 GLY 57 2HA GLY 57 11.187 -5.028 20.020 432 H ASP 58 H ASP 58 12.989 -2.687 19.390 433 HA ASP 58 HA ASP 58 15.210 -3.653 21.026 434 HB2 ASP 58 1HB ASP 58 15.155 -3.122 18.482 435 HB3 ASP 58 2HB ASP 58 15.373 -1.441 18.992 436 H GLY 59 H GLY 59 12.935 -1.248 21.464 437 HA2 GLY 59 1HA GLY 59 12.914 -0.166 23.595 438 HA3 GLY 59 2HA GLY 59 14.680 -0.060 23.546 439 H LYS 60 H LYS 60 13.197 0.656 20.576 440 HA LYS 60 HA LYS 60 13.292 3.551 21.185 441 HB2 LYS 60 1HB LYS 60 14.495 3.988 19.175 442 HB3 LYS 60 2HB LYS 60 15.342 2.917 20.297 443 HG2 LYS 60 1HG LYS 60 14.094 1.137 18.605 444 HG3 LYS 60 2HG LYS 60 14.635 2.466 17.537 445 HD2 LYS 60 1HD LYS 60 16.797 2.441 18.824 446 HD3 LYS 60 2HD LYS 60 16.236 0.949 19.600 447 HE2 LYS 60 1HE LYS 60 16.139 -0.178 17.441 448 HE3 LYS 60 2HE LYS 60 16.539 1.338 16.593 449 HZ1 LYS 60 1HZ LYS 60 18.533 0.076 16.809 450 HZ2 LYS 60 2HZ LYS 60 18.285 -0.230 18.409 451 HZ3 LYS 60 3HZ LYS 60 18.668 1.303 17.907 452 H MET 61 H MET 61 12.014 4.934 19.863 453 HA MET 61 HA MET 61 9.901 3.570 18.320 454 HB2 MET 61 1HB MET 61 8.214 4.498 19.815 455 HB3 MET 61 2HB MET 61 9.328 3.442 20.679 456 HG2 MET 61 1HG MET 61 10.587 5.513 21.412 457 HG3 MET 61 2HG MET 61 9.236 6.466 20.773 458 HE1 MET 61 1HE MET 61 6.720 4.959 21.376 459 HE2 MET 61 2HE MET 61 6.938 6.628 21.953 460 HE3 MET 61 3HE MET 61 6.335 5.379 23.059 461 H LYS 62 H LYS 62 8.144 5.204 17.767 462 HA LYS 62 HA LYS 62 9.339 7.456 16.295 463 HB2 LYS 62 1HB LYS 62 6.877 5.849 16.331 464 HB3 LYS 62 2HB LYS 62 6.507 7.566 16.240 465 HG2 LYS 62 1HG LYS 62 6.571 6.593 14.070 466 HG3 LYS 62 2HG LYS 62 7.872 7.783 14.258 467 HD2 LYS 62 1HD LYS 62 9.507 5.997 14.559 468 HD3 LYS 62 2HD LYS 62 8.216 4.777 14.503 469 HE2 LYS 62 1HE LYS 62 7.659 5.411 12.213 470 HE3 LYS 62 2HE LYS 62 8.865 6.716 12.256 471 HZ1 LYS 62 1HZ LYS 62 9.728 4.768 11.134 472 HZ2 LYS 62 2HZ LYS 62 9.473 3.823 12.462 473 HZ3 LYS 62 3HZ LYS 62 10.589 5.038 12.515 474 H ASP 63 H ASP 63 7.027 6.855 18.782 475 HA ASP 63 HA ASP 63 6.025 8.005 20.408 476 HB2 ASP 63 1HB ASP 63 8.559 8.580 20.808 477 HB3 ASP 63 2HB ASP 63 8.016 10.220 20.419 478 H LEU 64 H LEU 64 5.635 10.595 21.090 479 HA LEU 64 HA LEU 64 4.360 12.406 20.740 480 HB2 LEU 64 1HB LEU 64 5.915 12.215 18.325 481 HB3 LEU 64 2HB LEU 64 4.324 12.836 17.939 482 HG LEU 64 HG LEU 64 5.954 14.615 18.287 483 HD11 LEU 64 1HD1 LEU 64 4.693 16.032 19.792 484 HD12 LEU 64 2HD1 LEU 64 3.932 14.627 20.564 485 HD13 LEU 64 3HD1 LEU 64 3.561 15.025 18.866 486 HD21 LEU 64 1HD2 LEU 64 6.978 15.077 20.437 487 HD22 LEU 64 2HD2 LEU 64 7.398 13.427 19.937 488 HD23 LEU 64 3HD2 LEU 64 6.156 13.688 21.183 489 H SER 65 H SER 65 2.426 13.360 19.745 490 HA SER 65 HA SER 65 0.338 11.333 19.477 491 HB2 SER 65 1HB SER 65 -0.903 13.691 19.004 492 HB3 SER 65 2HB SER 65 -0.487 13.149 20.647 493 HG SER 65 HG SER 65 0.223 15.303 20.180 494 HA PRO 66 HA PRO 66 0.478 11.389 15.113 495 HB2 PRO 66 1HB PRO 66 -2.129 11.286 14.251 496 HB3 PRO 66 2HB PRO 66 -1.292 9.884 14.994 497 HG2 PRO 66 1HG PRO 66 -3.132 11.882 16.284 498 HG3 PRO 66 2HG PRO 66 -3.176 10.095 16.366 499 HD2 PRO 66 1HD PRO 66 -2.065 11.577 18.330 500 HD3 PRO 66 2HD PRO 66 -1.344 10.007 17.829 501 H ARG 67 H ARG 67 0.623 12.878 13.487 502 HA ARG 67 HA ARG 67 -0.731 15.494 13.939 503 HB2 ARG 67 1HB ARG 67 1.867 15.148 12.435 504 HB3 ARG 67 2HB ARG 67 1.181 16.609 13.150 505 HG2 ARG 67 1HG ARG 67 1.481 15.348 15.411 506 HG3 ARG 67 2HG ARG 67 2.573 14.306 14.474 507 HD2 ARG 67 1HD ARG 67 3.969 15.919 15.397 508 HD3 ARG 67 2HD ARG 67 3.710 16.471 13.730 509 HE ARG 67 HE ARG 67 1.721 17.682 15.324 510 HH11 ARG 67 1HH1 ARG 67 5.264 17.865 15.119 511 HH12 ARG 67 2HH1 ARG 67 5.273 19.505 15.748 512 HH21 ARG 67 1HH2 ARG 67 1.879 19.737 16.122 513 HH22 ARG 67 2HH2 ARG 67 3.454 20.510 16.290 514 H TRP 68 H TRP 68 -1.000 16.754 11.875 515 HA TRP 68 HA TRP 68 -1.374 14.941 9.517 516 HB2 TRP 68 1HB TRP 68 -3.295 17.021 10.606 517 HB3 TRP 68 2HB TRP 68 -3.435 16.287 9.007 518 HD1 TRP 68 HD1 TRP 68 -3.569 15.243 12.744 519 HE1 TRP 68 HE1 TRP 68 -5.043 13.183 13.020 520 HE3 TRP 68 HE3 TRP 68 -4.421 14.333 7.783 521 HZ2 TRP 68 HZ2 TRP 68 -6.521 11.436 11.303 522 HZ3 TRP 68 HZ3 TRP 68 -5.921 12.439 7.155 523 HH2 TRP 68 HH2 TRP 68 -6.974 11.024 8.930 524 H TYR 69 H TYR 69 -0.571 15.735 7.674 525 HA TYR 69 HA TYR 69 0.448 18.571 7.680 526 HB2 TYR 69 1HB TYR 69 1.377 16.048 6.240 527 HB3 TYR 69 2HB TYR 69 2.029 17.658 5.940 528 HD1 TYR 69 HD1 TYR 69 1.691 15.036 8.669 529 HD2 TYR 69 HD2 TYR 69 3.801 18.527 7.275 530 HE1 TYR 69 HE1 TYR 69 3.423 14.724 10.429 531 HE2 TYR 69 HE2 TYR 69 5.522 18.182 9.033 532 HH TYR 69 HH TYR 69 5.381 15.463 11.331 533 H PHE 70 H PHE 70 0.100 19.733 5.581 534 HA PHE 70 HA PHE 70 -2.289 18.674 4.163 535 HB2 PHE 70 1HB PHE 70 -2.532 20.891 5.194 536 HB3 PHE 70 2HB PHE 70 -1.144 21.484 4.271 537 HD1 PHE 70 HD1 PHE 70 -4.490 19.857 3.768 538 HD2 PHE 70 HD2 PHE 70 -1.521 22.518 2.181 539 HE1 PHE 70 HE1 PHE 70 -6.007 20.415 1.878 540 HE2 PHE 70 HE2 PHE 70 -3.041 23.106 0.308 541 HZ PHE 70 HZ PHE 70 -5.292 22.056 0.144 542 H TYR 71 H TYR 71 -2.294 18.299 2.010 543 HA TYR 71 HA TYR 71 0.198 18.885 0.478 544 HB2 TYR 71 1HB TYR 71 -0.945 16.290 1.363 545 HB3 TYR 71 2HB TYR 71 -0.319 16.356 -0.303 546 HD1 TYR 71 HD1 TYR 71 0.494 16.025 3.209 547 HD2 TYR 71 HD2 TYR 71 2.148 17.114 -0.614 548 HE1 TYR 71 HE1 TYR 71 2.799 15.676 4.100 549 HE2 TYR 71 HE2 TYR 71 4.456 16.793 0.299 550 HH TYR 71 HH TYR 71 5.034 15.735 3.663 551 H TYR 72 H TYR 72 -0.109 19.026 -1.741 552 HA TYR 72 HA TYR 72 -2.803 19.705 -2.589 553 HB2 TYR 72 1HB TYR 72 -0.153 19.647 -4.033 554 HB3 TYR 72 2HB TYR 72 -1.673 20.221 -4.734 555 HD1 TYR 72 HD1 TYR 72 1.224 21.505 -3.523 556 HD2 TYR 72 HD2 TYR 72 -2.994 21.770 -2.683 557 HE1 TYR 72 HE1 TYR 72 1.545 23.745 -2.466 558 HE2 TYR 72 HE2 TYR 72 -2.644 23.967 -1.633 559 HH TYR 72 HH TYR 72 0.470 25.630 -1.597 560 H LEU 73 H LEU 73 -3.826 18.885 -4.510 561 HA LEU 73 HA LEU 73 -4.242 16.114 -4.495 562 HB2 LEU 73 1HB LEU 73 -5.345 18.299 -5.737 563 HB3 LEU 73 2HB LEU 73 -4.578 17.505 -7.097 564 HG LEU 73 HG LEU 73 -6.789 16.425 -5.328 565 HD11 LEU 73 1HD1 LEU 73 -8.055 16.464 -7.428 566 HD12 LEU 73 2HD1 LEU 73 -6.618 17.018 -8.310 567 HD13 LEU 73 3HD1 LEU 73 -7.378 18.064 -7.093 568 HD21 LEU 73 1HD2 LEU 73 -6.822 14.456 -6.882 569 HD22 LEU 73 2HD2 LEU 73 -5.419 14.497 -5.811 570 HD23 LEU 73 3HD2 LEU 73 -5.249 14.981 -7.519 571 H GLY 74 H GLY 74 -3.226 14.392 -5.365 572 HA2 GLY 74 1HA GLY 74 -1.912 13.148 -6.768 573 HA3 GLY 74 2HA GLY 74 -1.776 14.546 -7.829 574 H THR 75 H THR 75 -0.649 14.717 -4.454 575 HA THR 75 HA THR 75 2.085 15.102 -5.527 576 HB THR 75 HB THR 75 2.568 15.491 -2.994 577 HG1 THR 75 HG1 THR 75 -0.228 15.979 -2.891 578 HG21 THR 75 1HG2 THR 75 0.715 17.320 -4.565 579 HG22 THR 75 2HG2 THR 75 2.494 17.368 -4.497 580 HG23 THR 75 3HG2 THR 75 1.542 17.781 -3.058 581 H GLY 76 H GLY 76 3.829 13.803 -4.970 582 HA2 GLY 76 1HA GLY 76 4.815 11.952 -3.790 583 HA3 GLY 76 2HA GLY 76 3.210 11.220 -3.601 584 HA PRO 77 HA PRO 77 5.357 10.382 -7.813 585 HB2 PRO 77 1HB PRO 77 6.965 8.191 -7.477 586 HB3 PRO 77 2HB PRO 77 7.514 9.862 -7.181 587 HG2 PRO 77 1HG PRO 77 6.547 7.844 -5.184 588 HG3 PRO 77 2HG PRO 77 8.027 8.851 -5.144 589 HD2 PRO 77 1HD PRO 77 5.776 9.560 -3.811 590 HD3 PRO 77 2HD PRO 77 6.837 10.783 -4.584 591 H GLU 78 H GLU 78 4.504 7.817 -5.523 592 HA GLU 78 HA GLU 78 2.956 6.437 -7.682 593 HB2 GLU 78 1HB GLU 78 3.452 4.339 -6.506 594 HB3 GLU 78 2HB GLU 78 4.931 5.180 -6.982 595 HG2 GLU 78 1HG GLU 78 5.021 6.119 -4.603 596 HG3 GLU 78 2HG GLU 78 3.751 4.958 -4.197 597 H ALA 79 H ALA 79 2.090 8.620 -5.932 598 HA ALA 79 HA ALA 79 0.712 7.736 -3.640 599 HB1 ALA 79 1HB ALA 79 1.066 10.102 -4.139 600 HB2 ALA 79 2HB ALA 79 -0.669 9.799 -3.938 601 HB3 ALA 79 3HB ALA 79 0.018 10.003 -5.567 602 H GLY 80 H GLY 80 -0.408 7.880 -7.027 603 HA2 GLY 80 1HA GLY 80 -2.205 6.881 -8.067 604 HA3 GLY 80 2HA GLY 80 -2.107 5.646 -6.801 605 H LEU 81 H LEU 81 -2.760 9.058 -6.094 606 HA LEU 81 HA LEU 81 -5.428 8.197 -5.139 607 HB2 LEU 81 1HB LEU 81 -3.324 10.076 -4.115 608 HB3 LEU 81 2HB LEU 81 -4.996 10.336 -3.708 609 HG LEU 81 HG LEU 81 -3.405 7.873 -2.993 610 HD11 LEU 81 1HD1 LEU 81 -3.592 8.807 -0.696 611 HD12 LEU 81 2HD1 LEU 81 -4.405 10.239 -1.352 612 HD13 LEU 81 3HD1 LEU 81 -2.715 9.898 -1.783 613 HD21 LEU 81 1HD2 LEU 81 -5.373 7.319 -1.568 614 HD22 LEU 81 2HD2 LEU 81 -5.767 7.291 -3.300 615 HD23 LEU 81 3HD2 LEU 81 -6.259 8.669 -2.288 616 HA PRO 82 HA PRO 82 -6.885 11.530 -7.839 617 HB2 PRO 82 1HB PRO 82 -9.320 10.416 -8.329 618 HB3 PRO 82 2HB PRO 82 -7.851 9.849 -9.189 619 HG2 PRO 82 1HG PRO 82 -9.233 8.666 -6.800 620 HG3 PRO 82 2HG PRO 82 -8.604 7.850 -8.256 621 HD2 PRO 82 1HD PRO 82 -7.275 7.936 -5.908 622 HD3 PRO 82 2HD PRO 82 -6.469 7.810 -7.490 623 H TYR 83 H TYR 83 -8.849 12.953 -7.363 624 HA TYR 83 HA TYR 83 -9.020 13.481 -4.572 625 HB2 TYR 83 1HB TYR 83 -9.400 15.170 -6.309 626 HB3 TYR 83 2HB TYR 83 -10.860 14.327 -6.836 627 HD1 TYR 83 HD1 TYR 83 -12.955 14.810 -5.817 628 HD2 TYR 83 HD2 TYR 83 -9.326 16.065 -3.881 629 HE1 TYR 83 HE1 TYR 83 -14.280 16.146 -4.181 630 HE2 TYR 83 HE2 TYR 83 -10.658 17.386 -2.247 631 HH TYR 83 HH TYR 83 -14.187 17.724 -2.520 632 H GLY 84 H GLY 84 -10.236 12.657 -2.999 633 HA2 GLY 84 1HA GLY 84 -12.236 11.872 -2.054 634 HA3 GLY 84 2HA GLY 84 -12.841 11.443 -3.653 635 H ALA 85 H ALA 85 -9.826 10.103 -3.702 636 HA ALA 85 HA ALA 85 -10.844 7.462 -3.354 637 HB1 ALA 85 1HB ALA 85 -9.015 7.683 -4.770 638 HB2 ALA 85 2HB ALA 85 -8.347 6.868 -3.344 639 HB3 ALA 85 3HB ALA 85 -8.069 8.611 -3.588 640 H ASN 86 H ASN 86 -10.953 6.071 -1.717 641 HA ASN 86 HA ASN 86 -10.563 7.076 0.986 642 HB2 ASN 86 1HB ASN 86 -12.457 5.587 0.314 643 HB3 ASN 86 2HB ASN 86 -11.290 4.292 -0.008 644 HD21 ASN 86 1HD2 ASN 86 -11.758 3.170 3.237 645 HD22 ASN 86 2HD2 ASN 86 -11.820 2.838 1.522 646 H LYS 87 H LYS 87 -8.800 6.889 2.225 647 HA LYS 87 HA LYS 87 -7.096 4.509 2.074 648 HB2 LYS 87 1HB LYS 87 -6.191 5.955 0.277 649 HB3 LYS 87 2HB LYS 87 -5.995 7.265 1.420 650 HG2 LYS 87 1HG LYS 87 -4.203 6.230 2.541 651 HG3 LYS 87 2HG LYS 87 -4.618 4.613 1.914 652 HD2 LYS 87 1HD LYS 87 -3.620 6.898 0.210 653 HD3 LYS 87 2HD LYS 87 -2.562 5.673 0.909 654 HE2 LYS 87 1HE LYS 87 -3.756 3.898 -0.357 655 HE3 LYS 87 2HE LYS 87 -4.838 5.110 -1.057 656 HZ1 LYS 87 1HZ LYS 87 -1.900 4.992 -1.516 657 HZ2 LYS 87 2HZ LYS 87 -2.919 6.111 -2.175 658 HZ3 LYS 87 3HZ LYS 87 -3.055 4.525 -2.593 659 H ASP 88 H ASP 88 -5.773 4.387 4.000 660 HA ASP 88 HA ASP 88 -7.062 5.550 6.291 661 HB2 ASP 88 1HB ASP 88 -5.855 3.358 6.313 662 HB3 ASP 88 2HB ASP 88 -4.325 4.232 6.135 663 H GLY 89 H GLY 89 -6.656 7.362 7.409 664 HA2 GLY 89 1HA GLY 89 -5.563 9.255 8.129 665 HA3 GLY 89 2HA GLY 89 -4.066 8.588 7.469 666 H ILE 90 H ILE 90 -6.815 9.002 5.330 667 HA ILE 90 HA ILE 90 -5.567 11.493 4.251 668 HB ILE 90 HB ILE 90 -6.768 9.191 2.626 669 HG12 ILE 90 1HG1 ILE 90 -4.541 8.632 3.496 670 HG13 ILE 90 2HG1 ILE 90 -4.545 8.809 1.749 671 HG21 ILE 90 1HG2 ILE 90 -5.885 10.567 0.649 672 HG22 ILE 90 2HG2 ILE 90 -5.650 11.914 1.790 673 HG23 ILE 90 3HG2 ILE 90 -7.274 11.265 1.497 674 HD11 ILE 90 1HD1 ILE 90 -3.655 11.078 3.522 675 HD12 ILE 90 2HD1 ILE 90 -3.321 10.783 1.799 676 HD13 ILE 90 3HD1 ILE 90 -2.573 9.744 3.031 677 H ILE 91 H ILE 91 -6.894 13.125 4.173 678 HA ILE 91 HA ILE 91 -9.807 12.571 3.773 679 HB ILE 91 HB ILE 91 -10.345 14.491 5.281 680 HG12 ILE 91 1HG1 ILE 91 -7.901 14.363 6.860 681 HG13 ILE 91 2HG1 ILE 91 -7.544 14.893 5.246 682 HG21 ILE 91 1HG2 ILE 91 -10.117 13.254 7.373 683 HG22 ILE 91 2HG2 ILE 91 -8.851 12.223 6.675 684 HG23 ILE 91 3HG2 ILE 91 -10.517 12.129 6.061 685 HD11 ILE 91 1HD1 ILE 91 -8.043 16.784 6.755 686 HD12 ILE 91 2HD1 ILE 91 -9.692 16.155 6.974 687 HD13 ILE 91 3HD1 ILE 91 -9.142 16.702 5.366 688 H TRP 92 H TRP 92 -10.586 13.565 2.052 689 HA TRP 92 HA TRP 92 -8.885 15.528 0.689 690 HB2 TRP 92 1HB TRP 92 -11.477 14.161 -0.087 691 HB3 TRP 92 2HB TRP 92 -10.536 15.233 -1.131 692 HD1 TRP 92 HD1 TRP 92 -10.547 11.711 0.275 693 HE1 TRP 92 HE1 TRP 92 -8.728 10.302 -0.787 694 HE3 TRP 92 HE3 TRP 92 -8.136 15.481 -2.216 695 HZ2 TRP 92 HZ2 TRP 92 -6.489 10.763 -2.458 696 HZ3 TRP 92 HZ3 TRP 92 -6.113 14.909 -3.561 697 HH2 TRP 92 HH2 TRP 92 -5.298 12.554 -3.683 698 H VAL 93 H VAL 93 -9.282 17.618 0.294 699 HA VAL 93 HA VAL 93 -11.908 18.755 1.130 700 HB VAL 93 HB VAL 93 -10.693 20.721 2.118 701 HG11 VAL 93 1HG1 VAL 93 -10.131 19.657 4.239 702 HG12 VAL 93 2HG1 VAL 93 -10.052 18.065 3.455 703 HG13 VAL 93 3HG1 VAL 93 -11.600 18.939 3.553 704 HG21 VAL 93 1HG2 VAL 93 -8.341 20.549 2.739 705 HG22 VAL 93 2HG2 VAL 93 -8.487 20.354 0.981 706 HG23 VAL 93 3HG2 VAL 93 -8.222 18.930 2.014 707 H ALA 94 H ALA 94 -12.369 20.794 0.100 708 HA ALA 94 HA ALA 94 -10.654 21.826 -1.999 709 HB1 ALA 94 1HB ALA 94 -11.640 19.777 -3.126 710 HB2 ALA 94 2HB ALA 94 -12.130 21.305 -3.885 711 HB3 ALA 94 3HB ALA 94 -13.260 20.440 -2.816 712 H THR 95 H THR 95 -11.893 23.655 -3.055 713 HA THR 95 HA THR 95 -14.198 24.606 -1.444 714 HB THR 95 HB THR 95 -12.030 25.673 -0.583 715 HG1 THR 95 HG1 THR 95 -12.973 27.823 -0.793 716 HG21 THR 95 1HG2 THR 95 -10.920 27.329 -1.921 717 HG22 THR 95 2HG2 THR 95 -12.091 27.147 -3.245 718 HG23 THR 95 3HG2 THR 95 -10.952 25.835 -2.875 719 H GLU 96 H GLU 96 -15.049 26.648 -2.747 720 HA GLU 96 HA GLU 96 -15.734 25.647 -5.339 721 HB2 GLU 96 1HB GLU 96 -17.123 27.084 -3.798 722 HB3 GLU 96 2HB GLU 96 -16.103 28.456 -4.244 723 HG2 GLU 96 1HG GLU 96 -16.828 28.319 -6.543 724 HG3 GLU 96 2HG GLU 96 -17.658 26.782 -6.232 725 H GLY 97 H GLY 97 -14.955 26.112 -7.324 726 HA2 GLY 97 1HA GLY 97 -13.886 27.415 -8.964 727 HA3 GLY 97 2HA GLY 97 -13.131 28.393 -7.703 728 H ALA 98 H ALA 98 -12.562 25.381 -6.625 729 HA ALA 98 HA ALA 98 -9.829 25.408 -7.622 730 HB1 ALA 98 1HB ALA 98 -10.462 24.787 -5.295 731 HB2 ALA 98 2HB ALA 98 -9.529 23.520 -6.126 732 HB3 ALA 98 3HB ALA 98 -11.293 23.348 -5.936 733 H LEU 99 H LEU 99 -8.811 23.819 -8.915 734 HA LEU 99 HA LEU 99 -10.558 22.528 -10.897 735 HB2 LEU 99 1HB LEU 99 -7.541 22.520 -10.485 736 HB3 LEU 99 2HB LEU 99 -8.355 21.699 -11.805 737 HG LEU 99 HG LEU 99 -8.280 24.691 -11.381 738 HD11 LEU 99 1HD1 LEU 99 -6.814 24.679 -13.331 739 HD12 LEU 99 2HD1 LEU 99 -6.982 22.914 -13.499 740 HD13 LEU 99 3HD1 LEU 99 -6.137 23.606 -12.092 741 HD21 LEU 99 1HD2 LEU 99 -9.273 24.800 -13.659 742 HD22 LEU 99 2HD2 LEU 99 -10.378 24.087 -12.475 743 HD23 LEU 99 3HD2 LEU 99 -9.512 23.036 -13.627 744 H ASN 100 H ASN 100 -10.007 20.177 -11.475 745 HA ASN 100 HA ASN 100 -9.746 18.582 -8.950 746 HB2 ASN 100 1HB ASN 100 -11.613 18.479 -11.239 747 HB3 ASN 100 2HB ASN 100 -10.925 16.910 -10.825 748 HD21 ASN 100 1HD2 ASN 100 -13.390 16.501 -8.446 749 HD22 ASN 100 2HD2 ASN 100 -12.571 15.907 -9.871 750 H THR 101 H THR 101 -7.540 19.609 -10.626 751 HA THR 101 HA THR 101 -6.594 17.094 -11.908 752 HB THR 101 HB THR 101 -6.907 19.520 -13.090 753 HG1 THR 101 HG1 THR 101 -5.447 18.693 -14.665 754 HG21 THR 101 1HG2 THR 101 -4.804 20.637 -13.414 755 HG22 THR 101 2HG2 THR 101 -3.941 19.411 -12.460 756 HG23 THR 101 3HG2 THR 101 -5.077 20.532 -11.663 757 HA PRO 102 HA PRO 102 -3.257 16.831 -9.003 758 HB2 PRO 102 1HB PRO 102 -1.317 15.613 -10.469 759 HB3 PRO 102 2HB PRO 102 -2.801 14.746 -9.951 760 HG2 PRO 102 1HG PRO 102 -2.185 16.077 -12.575 761 HG3 PRO 102 2HG PRO 102 -2.811 14.425 -12.267 762 HD2 PRO 102 1HD PRO 102 -4.450 16.457 -12.914 763 HD3 PRO 102 2HD PRO 102 -4.943 15.214 -11.717 764 H LYS 103 H LYS 103 -1.308 17.811 -8.372 765 HA LYS 103 HA LYS 103 0.170 19.461 -10.309 766 HB2 LYS 103 1HB LYS 103 -0.234 21.556 -8.913 767 HB3 LYS 103 2HB LYS 103 -1.530 21.007 -9.966 768 HG2 LYS 103 1HG LYS 103 -2.353 19.775 -7.723 769 HG3 LYS 103 2HG LYS 103 -1.441 21.092 -6.979 770 HD2 LYS 103 1HD LYS 103 -2.810 22.730 -7.991 771 HD3 LYS 103 2HD LYS 103 -3.422 21.591 -9.211 772 HE2 LYS 103 1HE LYS 103 -5.112 22.031 -7.514 773 HE3 LYS 103 2HE LYS 103 -4.608 20.330 -7.506 774 HZ1 LYS 103 1HZ LYS 103 -4.770 21.328 -5.259 775 HZ2 LYS 103 2HZ LYS 103 -3.560 22.386 -5.638 776 HZ3 LYS 103 3HZ LYS 103 -3.248 20.778 -5.594 777 H ASP 104 H ASP 104 1.289 17.461 -9.250 778 HA ASP 104 HA ASP 104 2.360 17.570 -6.650 779 HB2 ASP 104 1HB ASP 104 4.000 16.003 -7.442 780 HB3 ASP 104 2HB ASP 104 2.474 15.644 -8.265 781 H HIS 105 H HIS 105 3.350 19.227 -9.590 782 HA HIS 105 HA HIS 105 5.984 19.918 -8.860 783 HB2 HIS 105 1HB HIS 105 5.960 21.393 -10.675 784 HB3 HIS 105 2HB HIS 105 4.814 20.127 -11.126 785 HD1 HIS 105 HD1 HIS 105 5.053 23.792 -10.190 786 HD2 HIS 105 HD2 HIS 105 2.106 21.020 -11.298 787 HE1 HIS 105 HE1 HIS 105 2.942 25.123 -10.733 788 H ILE 106 H ILE 106 3.120 21.098 -7.383 789 HA ILE 106 HA ILE 106 4.436 23.645 -6.605 790 HB ILE 106 HB ILE 106 1.752 22.547 -5.658 791 HG12 ILE 106 1HG1 ILE 106 2.257 24.530 -7.915 792 HG13 ILE 106 2HG1 ILE 106 1.836 22.832 -8.153 793 HG21 ILE 106 1HG2 ILE 106 1.312 24.871 -4.972 794 HG22 ILE 106 2HG2 ILE 106 2.843 25.419 -5.697 795 HG23 ILE 106 3HG2 ILE 106 2.850 24.370 -4.266 796 HD11 ILE 106 1HD1 ILE 106 -0.173 24.092 -8.385 797 HD12 ILE 106 2HD1 ILE 106 0.102 24.959 -6.853 798 HD13 ILE 106 3HD1 ILE 106 -0.253 23.209 -6.839 799 H GLY 107 H GLY 107 3.321 20.528 -5.255 800 HA2 GLY 107 1HA GLY 107 3.936 21.179 -2.535 801 HA3 GLY 107 2HA GLY 107 3.563 19.587 -3.180 802 H THR 108 H THR 108 6.270 21.123 -4.646 803 HA THR 108 HA THR 108 8.046 19.143 -3.385 804 HB THR 108 HB THR 108 7.978 19.383 -5.850 805 HG1 THR 108 HG1 THR 108 10.416 20.198 -4.618 806 HG21 THR 108 1HG2 THR 108 9.119 22.165 -5.349 807 HG22 THR 108 2HG2 THR 108 7.510 21.802 -6.003 808 HG23 THR 108 3HG2 THR 108 8.960 21.367 -6.928 809 H ARG 109 H ARG 109 7.157 21.487 -1.762 810 HA ARG 109 HA ARG 109 9.179 23.474 -1.586 811 HB2 ARG 109 1HB ARG 109 7.001 23.528 -0.313 812 HB3 ARG 109 2HB ARG 109 7.643 22.267 0.745 813 HG2 ARG 109 1HG ARG 109 9.525 23.819 1.383 814 HG3 ARG 109 2HG ARG 109 8.756 25.085 0.417 815 HD2 ARG 109 1HD ARG 109 8.181 25.405 2.749 816 HD3 ARG 109 2HD ARG 109 6.738 24.907 1.863 817 HE ARG 109 HE ARG 109 6.705 22.875 3.006 818 HH11 ARG 109 1HH1 ARG 109 9.637 24.652 3.969 819 HH12 ARG 109 2HH1 ARG 109 9.899 23.590 5.321 820 HH21 ARG 109 1HH2 ARG 109 7.121 21.632 4.726 821 HH22 ARG 109 2HH2 ARG 109 8.529 21.902 5.735 822 H ASN 110 H ASN 110 11.211 23.510 -0.867 823 HA ASN 110 HA ASN 110 12.317 20.992 0.291 824 HB2 ASN 110 1HB ASN 110 13.533 23.363 -1.156 825 HB3 ASN 110 2HB ASN 110 14.529 22.276 -0.182 826 HD21 ASN 110 1HD2 ASN 110 14.875 20.830 -3.452 827 HD22 ASN 110 2HD2 ASN 110 15.484 22.138 -2.469 828 HA PRO 111 HA PRO 111 11.800 23.452 3.940 829 HB2 PRO 111 1HB PRO 111 12.774 21.778 5.856 830 HB3 PRO 111 2HB PRO 111 11.220 21.473 5.012 831 HG2 PRO 111 1HG PRO 111 13.941 20.355 4.407 832 HG3 PRO 111 2HG PRO 111 12.391 19.486 4.643 833 HD2 PRO 111 1HD PRO 111 13.322 20.091 2.183 834 HD3 PRO 111 2HD PRO 111 11.563 20.163 2.554 835 H ALA 112 H ALA 112 14.906 22.318 2.844 836 HA ALA 112 HA ALA 112 16.459 23.781 4.810 837 HB1 ALA 112 1HB ALA 112 17.373 21.824 3.583 838 HB2 ALA 112 2HB ALA 112 18.344 23.286 3.291 839 HB3 ALA 112 3HB ALA 112 17.211 22.715 2.046 840 H ASN 113 H ASN 113 14.800 24.519 1.837 841 HA ASN 113 HA ASN 113 16.344 27.029 1.483 842 HB2 ASN 113 1HB ASN 113 14.321 25.645 -0.316 843 HB3 ASN 113 2HB ASN 113 15.195 27.131 -0.708 844 HD21 ASN 113 1HD2 ASN 113 16.877 24.062 -2.123 845 HD22 ASN 113 2HD2 ASN 113 15.205 24.574 -2.100 846 H ASN 114 H ASN 114 13.161 25.889 2.471 847 HA ASN 114 HA ASN 114 12.416 28.694 3.011 848 HB2 ASN 114 1HB ASN 114 11.503 28.451 0.822 849 HB3 ASN 114 2HB ASN 114 10.817 26.856 1.206 850 HD21 ASN 114 1HD2 ASN 114 7.903 28.146 2.540 851 HD22 ASN 114 2HD2 ASN 114 8.782 26.835 1.791 852 H ALA 115 H ALA 115 10.936 28.987 4.610 853 HA ALA 115 HA ALA 115 10.561 26.708 6.417 854 HB1 ALA 115 1HB ALA 115 11.265 28.915 7.280 855 HB2 ALA 115 2HB ALA 115 9.700 28.424 7.973 856 HB3 ALA 115 3HB ALA 115 9.751 29.637 6.673 857 H ALA 116 H ALA 116 8.612 25.913 7.161 858 HA ALA 116 HA ALA 116 6.412 25.867 5.302 859 HB1 ALA 116 1HB ALA 116 7.066 23.919 6.738 860 HB2 ALA 116 2HB ALA 116 5.358 24.369 6.915 861 HB3 ALA 116 3HB ALA 116 6.534 24.833 8.167 862 H ILE 117 H ILE 117 4.335 26.638 5.551 863 HA ILE 117 HA ILE 117 4.111 29.172 7.012 864 HB ILE 117 HB ILE 117 2.095 27.634 5.313 865 HG12 ILE 117 1HG1 ILE 117 3.489 30.064 4.268 866 HG13 ILE 117 2HG1 ILE 117 4.422 28.571 4.323 867 HG21 ILE 117 1HG2 ILE 117 0.985 29.870 5.035 868 HG22 ILE 117 2HG2 ILE 117 2.139 30.563 6.200 869 HG23 ILE 117 3HG2 ILE 117 0.974 29.320 6.718 870 HD11 ILE 117 1HD1 ILE 117 3.370 28.804 2.155 871 HD12 ILE 117 2HD1 ILE 117 1.766 28.931 2.918 872 HD13 ILE 117 3HD1 ILE 117 2.684 27.414 3.019 873 H VAL 118 H VAL 118 2.995 29.427 8.978 874 HA VAL 118 HA VAL 118 2.075 27.141 10.483 875 HB VAL 118 HB VAL 118 1.416 30.129 10.760 876 HG11 VAL 118 1HG1 VAL 118 0.726 29.540 13.092 877 HG12 VAL 118 2HG1 VAL 118 0.879 27.819 12.676 878 HG13 VAL 118 3HG1 VAL 118 -0.333 28.832 11.860 879 HG21 VAL 118 1HG2 VAL 118 3.059 30.041 12.638 880 HG22 VAL 118 2HG2 VAL 118 3.806 29.653 11.075 881 HG23 VAL 118 3HG2 VAL 118 3.420 28.348 12.220 882 H LEU 119 H LEU 119 0.262 25.980 10.091 883 HA LEU 119 HA LEU 119 -1.516 26.759 7.977 884 HB2 LEU 119 1HB LEU 119 -0.886 24.417 8.741 885 HB3 LEU 119 2HB LEU 119 -2.029 24.618 10.059 886 HG LEU 119 HG LEU 119 -2.905 25.034 7.192 887 HD11 LEU 119 1HD1 LEU 119 -3.061 22.329 8.515 888 HD12 LEU 119 2HD1 LEU 119 -1.683 22.789 7.491 889 HD13 LEU 119 3HD1 LEU 119 -3.328 22.765 6.819 890 HD21 LEU 119 1HD2 LEU 119 -5.042 23.914 8.276 891 HD22 LEU 119 2HD2 LEU 119 -4.686 25.606 8.631 892 HD23 LEU 119 3HD2 LEU 119 -4.283 24.358 9.818 893 H GLN 120 H GLN 120 -3.310 27.892 7.975 894 HA GLN 120 HA GLN 120 -4.763 28.426 10.532 895 HB2 GLN 120 1HB GLN 120 -4.015 30.378 8.329 896 HB3 GLN 120 2HB GLN 120 -5.171 30.730 9.620 897 HG2 GLN 120 1HG GLN 120 -3.530 30.875 11.239 898 HG3 GLN 120 2HG GLN 120 -2.403 29.863 10.335 899 HE21 GLN 120 1HE2 GLN 120 -0.965 32.478 8.517 900 HE22 GLN 120 2HE2 GLN 120 -1.116 30.744 8.724 901 H LEU 121 H LEU 121 -7.037 28.847 10.105 902 HA LEU 121 HA LEU 121 -7.930 27.779 7.450 903 HB2 LEU 121 1HB LEU 121 -9.012 27.493 10.249 904 HB3 LEU 121 2HB LEU 121 -10.135 27.490 8.897 905 HG LEU 121 HG LEU 121 -7.804 25.559 9.114 906 HD11 LEU 121 1HD1 LEU 121 -9.340 25.271 10.992 907 HD12 LEU 121 2HD1 LEU 121 -9.479 23.918 9.853 908 HD13 LEU 121 3HD1 LEU 121 -10.717 25.186 9.879 909 HD21 LEU 121 1HD2 LEU 121 -8.997 24.238 7.443 910 HD22 LEU 121 2HD2 LEU 121 -8.766 25.874 6.803 911 HD23 LEU 121 3HD2 LEU 121 -10.354 25.384 7.438 912 HA PRO 122 HA PRO 122 -9.363 31.801 6.768 913 HB2 PRO 122 1HB PRO 122 -11.510 31.483 5.125 914 HB3 PRO 122 2HB PRO 122 -9.817 31.086 4.627 915 HG2 PRO 122 1HG PRO 122 -11.960 29.262 5.685 916 HG3 PRO 122 2HG PRO 122 -10.967 29.090 4.204 917 HD2 PRO 122 1HD PRO 122 -10.313 27.826 6.487 918 HD3 PRO 122 2HD PRO 122 -9.049 28.530 5.413 919 H GLN 123 H GLN 123 -11.254 33.339 6.801 920 HA GLN 123 HA GLN 123 -12.347 33.399 9.383 921 HB2 GLN 123 1HB GLN 123 -12.052 35.328 7.804 922 HB3 GLN 123 2HB GLN 123 -13.446 34.744 6.884 923 HG2 GLN 123 1HG GLN 123 -14.899 35.080 8.840 924 HG3 GLN 123 2HG GLN 123 -13.507 35.609 9.799 925 HE21 GLN 123 1HE2 GLN 123 -15.152 38.686 8.731 926 HE22 GLN 123 2HE2 GLN 123 -15.451 37.347 9.812 927 H GLY 124 H GLY 124 -14.082 32.550 10.341 928 HA2 GLY 124 1HA GLY 124 -16.267 31.725 10.506 929 HA3 GLY 124 2HA GLY 124 -16.376 31.642 8.742 930 H THR 125 H THR 125 -13.502 30.237 9.145 931 HA THR 125 HA THR 125 -14.737 27.537 9.473 932 HB THR 125 HB THR 125 -12.144 28.301 8.079 933 HG1 THR 125 HG1 THR 125 -14.063 29.152 7.072 934 HG21 THR 125 1HG2 THR 125 -12.452 26.106 7.030 935 HG22 THR 125 2HG2 THR 125 -13.864 25.834 8.066 936 HG23 THR 125 3HG2 THR 125 -12.256 25.982 8.787 937 H THR 126 H THR 126 -14.145 26.302 11.143 938 HA THR 126 HA THR 126 -11.723 27.078 12.697 939 HB THR 126 HB THR 126 -13.045 26.194 14.689 940 HG1 THR 126 HG1 THR 126 -15.307 26.162 14.388 941 HG21 THR 126 1HG2 THR 126 -12.707 28.615 14.225 942 HG22 THR 126 2HG2 THR 126 -14.257 28.272 15.026 943 HG23 THR 126 3HG2 THR 126 -14.218 28.619 13.282 944 H LEU 127 H LEU 127 -10.632 25.454 13.800 945 HA LEU 127 HA LEU 127 -10.524 22.883 12.460 946 HB2 LEU 127 1HB LEU 127 -9.351 23.881 15.068 947 HB3 LEU 127 2HB LEU 127 -9.004 22.308 14.410 948 HG LEU 127 HG LEU 127 -8.308 24.861 12.945 949 HD11 LEU 127 1HD1 LEU 127 -6.026 24.548 13.786 950 HD12 LEU 127 2HD1 LEU 127 -6.574 23.172 14.777 951 HD13 LEU 127 3HD1 LEU 127 -7.167 24.812 15.123 952 HD21 LEU 127 1HD2 LEU 127 -7.288 21.994 12.693 953 HD22 LEU 127 2HD2 LEU 127 -6.767 23.386 11.713 954 HD23 LEU 127 3HD2 LEU 127 -8.427 22.781 11.581 955 HA PRO 128 HA PRO 128 -13.556 20.937 14.996 956 HB2 PRO 128 1HB PRO 128 -12.860 18.308 14.934 957 HB3 PRO 128 2HB PRO 128 -13.415 19.174 13.466 958 HG2 PRO 128 1HG PRO 128 -10.647 18.524 14.354 959 HG3 PRO 128 2HG PRO 128 -11.395 18.346 12.742 960 HD2 PRO 128 1HD PRO 128 -9.789 20.459 13.481 961 HD3 PRO 128 2HD PRO 128 -11.064 20.595 12.239 962 H LYS 129 H LYS 129 -13.774 19.438 17.000 963 HA LYS 129 HA LYS 129 -12.247 20.584 19.091 964 HB2 LYS 129 1HB LYS 129 -14.573 19.501 19.186 965 HB3 LYS 129 2HB LYS 129 -13.748 17.940 19.185 966 HG2 LYS 129 1HG LYS 129 -14.276 18.420 21.445 967 HG3 LYS 129 2HG LYS 129 -12.534 18.706 21.293 968 HD2 LYS 129 1HD LYS 129 -12.964 21.149 21.095 969 HD3 LYS 129 2HD LYS 129 -14.710 20.846 21.225 970 HE2 LYS 129 1HE LYS 129 -14.363 19.867 23.480 971 HE3 LYS 129 2HE LYS 129 -12.622 20.193 23.349 972 HZ1 LYS 129 1HZ LYS 129 -13.761 21.926 24.598 973 HZ2 LYS 129 2HZ LYS 129 -14.757 22.259 23.325 974 HZ3 LYS 129 3HZ LYS 129 -13.138 22.561 23.210 975 H GLY 130 H GLY 130 -10.358 20.032 20.024 976 HA2 GLY 130 1HA GLY 130 -8.651 18.601 20.740 977 HA3 GLY 130 2HA GLY 130 -9.336 17.304 19.760 978 H PHE 131 H PHE 131 -8.726 20.391 18.205 979 HA PHE 131 HA PHE 131 -6.171 19.314 17.113 980 HB2 PHE 131 1HB PHE 131 -8.668 20.113 15.719 981 HB3 PHE 131 2HB PHE 131 -7.165 20.734 15.036 982 HD1 PHE 131 HD1 PHE 131 -5.523 19.296 14.061 983 HD2 PHE 131 HD2 PHE 131 -9.127 17.688 15.737 984 HE1 PHE 131 HE1 PHE 131 -5.086 17.150 12.884 985 HE2 PHE 131 HE2 PHE 131 -8.725 15.542 14.560 986 HZ PHE 131 HZ PHE 131 -6.688 15.263 13.133 987 H TYR 132 H TYR 132 -4.578 20.736 16.746 988 HA TYR 132 HA TYR 132 -5.174 23.607 16.579 989 HB2 TYR 132 1HB TYR 132 -3.578 24.310 18.228 990 HB3 TYR 132 2HB TYR 132 -4.775 23.280 19.008 991 HD1 TYR 132 HD1 TYR 132 -4.128 21.095 19.961 992 HD2 TYR 132 HD2 TYR 132 -1.229 23.559 17.941 993 HE1 TYR 132 HE1 TYR 132 -2.279 19.760 20.970 994 HE2 TYR 132 HE2 TYR 132 0.609 22.213 18.946 995 HH TYR 132 HH TYR 132 -0.009 19.562 21.245 996 H ALA 133 H ALA 133 -3.228 24.742 15.670 997 HA ALA 133 HA ALA 133 -1.756 22.831 13.934 998 HB1 ALA 133 1HB ALA 133 -3.081 24.566 12.787 999 HB2 ALA 133 2HB ALA 133 -1.343 24.798 12.499 1000 HB3 ALA 133 3HB ALA 133 -2.193 25.832 13.663 1001 H GLU 134 H GLU 134 0.498 22.940 13.682 1002 HA GLU 134 HA GLU 134 1.970 23.709 16.035 1003 HB2 GLU 134 1HB GLU 134 2.695 21.895 14.569 1004 HB3 GLU 134 2HB GLU 134 2.829 22.997 13.221 1005 HG2 GLU 134 1HG GLU 134 5.021 22.576 13.992 1006 HG3 GLU 134 2HG GLU 134 4.609 24.226 14.487 1007 H GLY 135 H GLY 135 3.035 25.555 16.502 1008 HA2 GLY 135 1HA GLY 135 3.973 27.662 16.130 1009 HA3 GLY 135 2HA GLY 135 3.479 27.590 14.433 1010 H SER 136 H SER 136 0.705 26.760 15.926 1011 HA SER 136 HA SER 136 -0.225 29.577 15.966 1012 HB2 SER 136 1HB SER 136 -1.316 27.928 14.426 1013 HB3 SER 136 2HB SER 136 -1.844 27.011 15.852 1014 HG SER 136 HG SER 136 -3.361 28.614 14.953 1015 H ARG 137 H ARG 137 -1.609 30.267 17.603 1016 HA ARG 137 HA ARG 137 -1.703 28.745 20.152 1017 HB2 ARG 137 1HB ARG 137 -0.671 31.598 19.785 1018 HB3 ARG 137 2HB ARG 137 -1.028 30.856 21.337 1019 HG2 ARG 137 1HG ARG 137 1.100 29.858 19.413 1020 HG3 ARG 137 2HG ARG 137 1.405 30.907 20.805 1021 HD2 ARG 137 1HD ARG 137 0.544 29.166 22.327 1022 HD3 ARG 137 2HD ARG 137 0.212 28.109 20.939 1023 HE ARG 137 HE ARG 137 2.936 28.885 20.843 1024 HH11 ARG 137 1HH1 ARG 137 0.835 26.844 22.811 1025 HH12 ARG 137 2HH1 ARG 137 2.139 25.780 23.265 1026 HH21 ARG 137 1HH2 ARG 137 4.545 27.476 21.451 1027 HH22 ARG 137 2HH2 ARG 137 4.200 26.137 22.510 1028 H GLY 138 H GLY 138 -3.037 30.649 21.647 1029 HA2 GLY 138 1HA GLY 138 -4.876 32.184 21.552 1030 HA3 GLY 138 2HA GLY 138 -5.212 31.669 19.895 1031 H GLY 139 H GLY 139 -4.597 29.498 22.637 1032 HA2 GLY 139 1HA GLY 139 -7.424 28.998 23.103 1033 HA3 GLY 139 2HA GLY 139 -6.572 27.670 22.268 1034 H SER 140 H SER 140 -7.449 26.958 24.681 1035 HA SER 140 HA SER 140 -5.005 26.752 26.322 1036 HB2 SER 140 1HB SER 140 -6.313 27.324 28.371 1037 HB3 SER 140 2HB SER 140 -6.165 28.723 27.278 1038 HG SER 140 HG SER 140 -8.363 26.953 27.118 Start of MODEL 29 1 H1 GLY 1 1H GLY 1 5.006 -3.910 9.364 2 H2 GLY 1 2H GLY 1 4.926 -2.265 9.458 3 H3 GLY 1 3H GLY 1 5.802 -3.111 10.568 4 HA2 GLY 1 1HA GLY 1 7.347 -3.837 8.882 5 HA3 GLY 1 2HA GLY 1 6.401 -2.920 7.693 6 H ALA 2 H ALA 2 8.862 -2.094 7.577 7 HA ALA 2 HA ALA 2 9.558 -0.141 9.612 8 HB1 ALA 2 1HB ALA 2 11.269 -1.290 8.195 9 HB2 ALA 2 2HB ALA 2 11.357 0.476 8.025 10 HB3 ALA 2 3HB ALA 2 10.589 -0.500 6.751 11 H MET 3 H MET 3 9.562 2.167 9.297 12 HA MET 3 HA MET 3 7.528 3.135 7.317 13 HB2 MET 3 1HB MET 3 8.111 4.161 10.117 14 HB3 MET 3 2HB MET 3 6.959 4.877 8.982 15 HG2 MET 3 1HG MET 3 5.610 2.817 9.047 16 HG3 MET 3 2HG MET 3 6.777 2.090 10.169 17 HE1 MET 3 1HE MET 3 3.696 5.415 11.147 18 HE2 MET 3 2HE MET 3 3.675 4.345 9.725 19 HE3 MET 3 3HE MET 3 4.875 5.657 9.840 20 H GLY 4 H GLY 4 10.364 2.854 6.866 21 HA2 GLY 4 1HA GLY 4 11.499 5.554 7.210 22 HA3 GLY 4 2HA GLY 4 12.330 4.114 6.613 23 H LEU 5 H LEU 5 9.288 5.613 5.435 24 HA LEU 5 HA LEU 5 10.081 5.266 2.711 25 HB2 LEU 5 1HB LEU 5 7.962 7.054 3.952 26 HB3 LEU 5 2HB LEU 5 8.166 6.820 2.231 27 HG LEU 5 HG LEU 5 6.295 5.573 2.855 28 HD11 LEU 5 1HD1 LEU 5 6.847 3.304 2.218 29 HD12 LEU 5 2HD1 LEU 5 8.554 3.549 2.649 30 HD13 LEU 5 3HD1 LEU 5 7.839 4.436 1.279 31 HD21 LEU 5 1HD2 LEU 5 6.120 3.950 4.600 32 HD22 LEU 5 2HD2 LEU 5 6.790 5.429 5.319 33 HD23 LEU 5 3HD2 LEU 5 7.854 4.043 4.960 34 HA PRO 6 HA PRO 6 12.510 8.978 2.395 35 HB2 PRO 6 1HB PRO 6 12.814 9.191 -0.301 36 HB3 PRO 6 2HB PRO 6 13.611 7.881 0.633 37 HG2 PRO 6 1HG PRO 6 11.032 7.802 -0.924 38 HG3 PRO 6 2HG PRO 6 12.424 6.677 -0.996 39 HD2 PRO 6 1HD PRO 6 10.204 6.157 0.489 40 HD3 PRO 6 2HD PRO 6 11.845 5.648 1.019 41 H ASN 7 H ASN 7 12.213 11.222 1.894 42 HA ASN 7 HA ASN 7 9.843 12.045 0.364 43 HB2 ASN 7 1HB ASN 7 8.987 11.511 2.668 44 HB3 ASN 7 2HB ASN 7 10.062 12.760 3.312 45 HD21 ASN 7 1HD2 ASN 7 7.201 14.785 3.013 46 HD22 ASN 7 2HD2 ASN 7 8.178 13.830 4.101 47 H ASN 8 H ASN 8 11.125 13.310 -0.974 48 HA ASN 8 HA ASN 8 12.821 15.396 0.339 49 HB2 ASN 8 1HB ASN 8 13.823 13.803 -1.388 50 HB3 ASN 8 2HB ASN 8 12.810 14.615 -2.593 51 HD21 ASN 8 1HD2 ASN 8 15.477 16.799 -3.129 52 HD22 ASN 8 2HD2 ASN 8 14.387 15.599 -3.777 53 H THR 9 H THR 9 9.892 15.522 0.193 54 HA THR 9 HA THR 9 9.570 18.085 -1.192 55 HB THR 9 HB THR 9 7.249 17.276 -1.859 56 HG1 THR 9 HG1 THR 9 7.923 15.171 -0.427 57 HG21 THR 9 1HG2 THR 9 7.869 16.131 -3.880 58 HG22 THR 9 2HG2 THR 9 9.396 15.571 -3.163 59 HG23 THR 9 3HG2 THR 9 9.159 17.298 -3.518 60 H ALA 10 H ALA 10 7.674 19.023 0.008 61 HA ALA 10 HA ALA 10 7.020 17.737 2.558 62 HB1 ALA 10 1HB ALA 10 9.201 18.823 2.998 63 HB2 ALA 10 2HB ALA 10 7.890 19.571 3.935 64 HB3 ALA 10 3HB ALA 10 8.521 20.384 2.480 65 H SER 11 H SER 11 5.322 18.630 3.672 66 HA SER 11 HA SER 11 3.242 19.933 2.240 67 HB2 SER 11 1HB SER 11 2.640 18.774 4.225 68 HB3 SER 11 2HB SER 11 3.925 19.550 5.166 69 HG SER 11 HG SER 11 2.586 21.053 5.683 70 H TRP 12 H TRP 12 2.731 22.069 1.991 71 HA TRP 12 HA TRP 12 4.772 24.043 2.299 72 HB2 TRP 12 1HB TRP 12 1.940 24.020 1.418 73 HB3 TRP 12 2HB TRP 12 2.565 25.559 2.027 74 HD1 TRP 12 HD1 TRP 12 2.699 23.375 -1.033 75 HE1 TRP 12 HE1 TRP 12 4.221 24.324 -2.817 76 HE3 TRP 12 HE3 TRP 12 4.896 26.988 1.835 77 HZ2 TRP 12 HZ2 TRP 12 6.233 26.351 -2.962 78 HZ3 TRP 12 HZ3 TRP 12 6.658 28.432 0.793 79 HH2 TRP 12 HH2 TRP 12 7.329 28.086 -1.583 80 H PHE 13 H PHE 13 2.460 22.771 4.507 81 HA PHE 13 HA PHE 13 2.818 25.150 6.259 82 HB2 PHE 13 1HB PHE 13 0.475 23.242 6.155 83 HB3 PHE 13 2HB PHE 13 0.594 24.735 7.094 84 HD1 PHE 13 HD1 PHE 13 -0.150 23.254 3.855 85 HD2 PHE 13 HD2 PHE 13 0.607 26.939 5.938 86 HE1 PHE 13 HE1 PHE 13 -1.070 24.522 1.930 87 HE2 PHE 13 HE2 PHE 13 -0.294 28.215 4.007 88 HZ PHE 13 HZ PHE 13 -1.105 26.996 1.997 89 H THR 14 H THR 14 2.508 24.826 8.521 90 HA THR 14 HA THR 14 4.170 22.716 9.549 91 HB THR 14 HB THR 14 3.490 23.618 11.770 92 HG1 THR 14 HG1 THR 14 2.005 25.247 11.900 93 HG21 THR 14 1HG2 THR 14 4.405 25.875 11.511 94 HG22 THR 14 2HG2 THR 14 4.172 25.786 9.754 95 HG23 THR 14 3HG2 THR 14 5.335 24.705 10.554 96 H ALA 15 H ALA 15 3.463 21.309 11.378 97 HA ALA 15 HA ALA 15 1.263 19.705 10.381 98 HB1 ALA 15 1HB ALA 15 2.092 18.011 11.782 99 HB2 ALA 15 2HB ALA 15 2.801 19.174 12.934 100 HB3 ALA 15 3HB ALA 15 3.553 18.923 11.347 101 H LEU 16 H LEU 16 -0.706 19.398 11.197 102 HA LEU 16 HA LEU 16 -1.571 20.929 13.584 103 HB2 LEU 16 1HB LEU 16 -2.871 19.236 11.443 104 HB3 LEU 16 2HB LEU 16 -3.714 19.599 12.930 105 HG LEU 16 HG LEU 16 -4.080 21.768 12.393 106 HD11 LEU 16 1HD1 LEU 16 -2.842 23.134 10.876 107 HD12 LEU 16 2HD1 LEU 16 -1.784 21.777 10.455 108 HD13 LEU 16 3HD1 LEU 16 -1.774 22.470 12.089 109 HD21 LEU 16 1HD2 LEU 16 -4.833 21.847 10.081 110 HD22 LEU 16 2HD2 LEU 16 -5.212 20.286 10.834 111 HD23 LEU 16 3HD2 LEU 16 -3.835 20.420 9.715 112 H THR 17 H THR 17 -2.288 19.843 15.463 113 HA THR 17 HA THR 17 -1.483 16.949 15.588 114 HB THR 17 HB THR 17 -1.156 19.084 17.730 115 HG1 THR 17 HG1 THR 17 0.392 19.335 16.143 116 HG21 THR 17 1HG2 THR 17 0.232 17.288 18.821 117 HG22 THR 17 2HG2 THR 17 -0.427 16.138 17.637 118 HG23 THR 17 3HG2 THR 17 -1.514 16.961 18.790 119 H GLN 18 H GLN 18 -2.836 15.592 16.690 120 HA GLN 18 HA GLN 18 -5.486 16.763 17.431 121 HB2 GLN 18 1HB GLN 18 -5.586 15.252 15.531 122 HB3 GLN 18 2HB GLN 18 -4.644 14.046 16.375 123 HG2 GLN 18 1HG GLN 18 -6.955 13.322 16.284 124 HG3 GLN 18 2HG GLN 18 -6.522 13.648 17.957 125 HE21 GLN 18 1HE2 GLN 18 -9.835 15.215 16.591 126 HE22 GLN 18 2HE2 GLN 18 -9.030 13.752 16.042 127 H HIS 19 H HIS 19 -6.300 16.505 19.372 128 HA HIS 19 HA HIS 19 -5.369 14.207 21.047 129 HB2 HIS 19 1HB HIS 19 -4.319 16.286 21.943 130 HB3 HIS 19 2HB HIS 19 -5.910 17.053 22.004 131 HD1 HIS 19 HD1 HIS 19 -3.720 14.635 23.860 132 HD2 HIS 19 HD2 HIS 19 -7.621 16.086 24.031 133 HE1 HIS 19 HE1 HIS 19 -4.659 13.951 26.107 134 H GLY 20 H GLY 20 -7.206 12.989 20.614 135 HA2 GLY 20 1HA GLY 20 -9.722 13.749 21.692 136 HA3 GLY 20 2HA GLY 20 -9.708 14.129 19.957 137 H LYS 21 H LYS 21 -11.403 12.507 19.743 138 HA LYS 21 HA LYS 21 -10.388 9.707 19.997 139 HB2 LYS 21 1HB LYS 21 -13.218 10.793 19.893 140 HB3 LYS 21 2HB LYS 21 -12.804 9.077 19.899 141 HG2 LYS 21 1HG LYS 21 -12.126 11.043 22.131 142 HG3 LYS 21 2HG LYS 21 -13.479 9.901 22.143 143 HD2 LYS 21 1HD LYS 21 -11.858 8.002 21.985 144 HD3 LYS 21 2HD LYS 21 -10.518 9.162 22.021 145 HE2 LYS 21 1HE LYS 21 -10.781 8.271 24.234 146 HE3 LYS 21 2HE LYS 21 -11.305 9.966 24.248 147 HZ1 LYS 21 1HZ LYS 21 -12.840 8.548 25.457 148 HZ2 LYS 21 2HZ LYS 21 -13.106 7.612 24.124 149 HZ3 LYS 21 3HZ LYS 21 -13.598 9.186 24.137 150 H GLU 22 H GLU 22 -11.687 12.010 17.660 151 HA GLU 22 HA GLU 22 -11.761 9.900 15.600 152 HB2 GLU 22 1HB GLU 22 -12.539 11.676 14.136 153 HB3 GLU 22 2HB GLU 22 -13.532 11.588 15.574 154 HG2 GLU 22 1HG GLU 22 -12.389 13.548 16.510 155 HG3 GLU 22 2HG GLU 22 -11.329 13.613 15.087 156 H ASP 23 H ASP 23 -10.585 10.480 13.522 157 HA ASP 23 HA ASP 23 -7.796 10.976 14.256 158 HB2 ASP 23 1HB ASP 23 -9.010 9.327 12.455 159 HB3 ASP 23 2HB ASP 23 -8.581 10.659 11.389 160 H LEU 24 H LEU 24 -9.893 12.283 11.647 161 HA LEU 24 HA LEU 24 -9.666 15.038 12.372 162 HB2 LEU 24 1HB LEU 24 -7.371 14.885 11.462 163 HB3 LEU 24 2HB LEU 24 -7.972 14.089 10.022 164 HG LEU 24 HG LEU 24 -9.059 16.118 9.267 165 HD11 LEU 24 1HD1 LEU 24 -9.595 17.144 11.514 166 HD12 LEU 24 2HD1 LEU 24 -8.906 18.261 10.331 167 HD13 LEU 24 3HD1 LEU 24 -7.894 17.617 11.637 168 HD21 LEU 24 1HD2 LEU 24 -7.058 17.480 8.853 169 HD22 LEU 24 2HD2 LEU 24 -6.722 15.745 8.686 170 HD23 LEU 24 3HD2 LEU 24 -6.201 16.611 10.149 171 H LYS 25 H LYS 25 -11.319 16.110 11.200 172 HA LYS 25 HA LYS 25 -12.210 14.928 8.664 173 HB2 LYS 25 1HB LYS 25 -13.457 13.792 10.592 174 HB3 LYS 25 2HB LYS 25 -14.209 15.362 10.906 175 HG2 LYS 25 1HG LYS 25 -15.160 15.357 8.635 176 HG3 LYS 25 2HG LYS 25 -14.345 13.815 8.297 177 HD2 LYS 25 1HD LYS 25 -15.581 12.816 10.212 178 HD3 LYS 25 2HD LYS 25 -16.479 14.342 10.369 179 HE2 LYS 25 1HE LYS 25 -17.277 14.100 8.042 180 HE3 LYS 25 2HE LYS 25 -16.375 12.573 7.895 181 HZ1 LYS 25 1HZ LYS 25 -17.734 11.675 9.686 182 HZ2 LYS 25 2HZ LYS 25 -18.700 12.186 8.451 183 HZ3 LYS 25 3HZ LYS 25 -18.568 13.090 9.826 184 H PHE 26 H PHE 26 -13.257 16.424 7.359 185 HA PHE 26 HA PHE 26 -13.822 19.110 8.503 186 HB2 PHE 26 1HB PHE 26 -11.989 18.411 6.202 187 HB3 PHE 26 2HB PHE 26 -12.897 19.923 6.169 188 HD1 PHE 26 HD1 PHE 26 -9.706 19.040 6.589 189 HD2 PHE 26 HD2 PHE 26 -12.830 20.851 8.963 190 HE1 PHE 26 HE1 PHE 26 -8.010 20.091 8.057 191 HE2 PHE 26 HE2 PHE 26 -11.119 21.930 10.385 192 HZ PHE 26 HZ PHE 26 -8.700 21.532 9.941 193 HA PRO 27 HA PRO 27 -17.511 18.512 6.199 194 HB2 PRO 27 1HB PRO 27 -18.251 21.037 5.448 195 HB3 PRO 27 2HB PRO 27 -18.220 20.525 7.165 196 HG2 PRO 27 1HG PRO 27 -16.136 21.970 5.602 197 HG3 PRO 27 2HG PRO 27 -16.882 22.421 7.161 198 HD2 PRO 27 1HD PRO 27 -14.509 21.182 7.041 199 HD3 PRO 27 2HD PRO 27 -15.704 20.765 8.318 200 H ARG 28 H ARG 28 -18.668 18.951 4.041 201 HA ARG 28 HA ARG 28 -16.763 18.489 1.870 202 HB2 ARG 28 1HB ARG 28 -18.982 17.340 2.015 203 HB3 ARG 28 2HB ARG 28 -19.772 18.904 1.811 204 HG2 ARG 28 1HG ARG 28 -19.863 17.859 -0.308 205 HG3 ARG 28 2HG ARG 28 -18.597 19.087 -0.442 206 HD2 ARG 28 1HD ARG 28 -16.873 17.340 -0.086 207 HD3 ARG 28 2HD ARG 28 -18.155 16.117 0.055 208 HE ARG 28 HE ARG 28 -18.470 17.536 -2.400 209 HH11 ARG 28 1HH1 ARG 28 -16.320 15.128 -0.958 210 HH12 ARG 28 2HH1 ARG 28 -15.912 14.435 -2.505 211 HH21 ARG 28 1HH2 ARG 28 -17.877 16.618 -4.336 212 HH22 ARG 28 2HH2 ARG 28 -16.781 15.264 -4.381 213 H GLY 29 H GLY 29 -15.973 19.990 0.513 214 HA2 GLY 29 1HA GLY 29 -15.955 21.895 -0.820 215 HA3 GLY 29 2HA GLY 29 -17.514 22.367 -0.142 216 H GLN 30 H GLN 30 -15.315 21.737 2.369 217 HA GLN 30 HA GLN 30 -14.092 24.406 2.432 218 HB2 GLN 30 1HB GLN 30 -16.401 24.859 3.147 219 HB3 GLN 30 2HB GLN 30 -16.350 23.513 4.265 220 HG2 GLN 30 1HG GLN 30 -14.457 24.828 5.423 221 HG3 GLN 30 2HG GLN 30 -15.062 26.206 4.495 222 HE21 GLN 30 1HE2 GLN 30 -16.738 25.687 7.901 223 HE22 GLN 30 2HE2 GLN 30 -15.055 25.584 7.410 224 H GLY 31 H GLY 31 -12.304 24.323 3.994 225 HA2 GLY 31 1HA GLY 31 -11.773 23.025 6.177 226 HA3 GLY 31 2HA GLY 31 -11.928 21.594 5.155 227 H VAL 32 H VAL 32 -10.766 23.392 2.900 228 HA VAL 32 HA VAL 32 -8.042 22.568 3.340 229 HB VAL 32 HB VAL 32 -7.536 23.772 1.269 230 HG11 VAL 32 1HG1 VAL 32 -8.367 21.518 1.112 231 HG12 VAL 32 2HG1 VAL 32 -8.949 22.471 -0.254 232 HG13 VAL 32 3HG1 VAL 32 -10.043 22.112 1.092 233 HG21 VAL 32 1HG2 VAL 32 -9.236 24.831 -0.077 234 HG22 VAL 32 2HG2 VAL 32 -8.995 25.688 1.452 235 HG23 VAL 32 3HG2 VAL 32 -10.422 24.640 1.239 236 HA PRO 33 HA PRO 33 -6.773 26.161 5.524 237 HB2 PRO 33 1HB PRO 33 -4.081 26.018 5.193 238 HB3 PRO 33 2HB PRO 33 -5.003 24.829 6.157 239 HG2 PRO 33 1HG PRO 33 -3.997 24.617 3.389 240 HG3 PRO 33 2HG PRO 33 -3.931 23.437 4.718 241 HD2 PRO 33 1HD PRO 33 -5.769 23.365 2.727 242 HD3 PRO 33 2HD PRO 33 -6.076 22.718 4.371 243 H ILE 34 H ILE 34 -5.378 28.144 5.275 244 HA ILE 34 HA ILE 34 -6.055 29.423 2.745 245 HB ILE 34 HB ILE 34 -4.387 30.389 5.106 246 HG12 ILE 34 1HG1 ILE 34 -7.232 31.019 4.283 247 HG13 ILE 34 2HG1 ILE 34 -6.782 29.900 5.575 248 HG21 ILE 34 1HG2 ILE 34 -5.596 32.038 2.825 249 HG22 ILE 34 2HG2 ILE 34 -3.885 31.567 2.906 250 HG23 ILE 34 3HG2 ILE 34 -4.553 32.628 4.146 251 HD11 ILE 34 1HD1 ILE 34 -5.610 31.768 6.732 252 HD12 ILE 34 2HD1 ILE 34 -7.364 31.977 6.588 253 HD13 ILE 34 3HD1 ILE 34 -6.285 32.872 5.506 254 H ASN 35 H ASN 35 -4.959 29.059 1.023 255 HA ASN 35 HA ASN 35 -2.043 28.469 1.277 256 HB2 ASN 35 1HB ASN 35 -3.842 27.913 -1.085 257 HB3 ASN 35 2HB ASN 35 -2.163 27.443 -0.912 258 HD21 ASN 35 1HD2 ASN 35 -4.389 24.561 -0.154 259 HD22 ASN 35 2HD2 ASN 35 -4.179 25.636 -1.513 260 H THR 36 H THR 36 -1.445 30.594 1.583 261 HA THR 36 HA THR 36 -2.335 32.813 0.049 262 HB THR 36 HB THR 36 -0.362 33.978 1.033 263 HG1 THR 36 HG1 THR 36 1.138 32.764 2.189 264 HG21 THR 36 1HG2 THR 36 -0.873 33.645 3.355 265 HG22 THR 36 2HG2 THR 36 -1.522 32.022 3.037 266 HG23 THR 36 3HG2 THR 36 -2.386 33.464 2.441 267 H ASN 37 H ASN 37 0.071 30.456 -0.686 268 HA ASN 37 HA ASN 37 1.277 32.219 -2.777 269 HB2 ASN 37 1HB ASN 37 3.141 30.598 -2.763 270 HB3 ASN 37 2HB ASN 37 2.848 31.260 -1.149 271 HD21 ASN 37 1HD2 ASN 37 2.109 28.210 0.339 272 HD22 ASN 37 2HD2 ASN 37 2.256 29.945 0.497 273 H SER 38 H SER 38 -1.348 30.578 -2.830 274 HA SER 38 HA SER 38 -0.657 28.945 -5.233 275 HB2 SER 38 1HB SER 38 -2.798 28.361 -3.179 276 HB3 SER 38 2HB SER 38 -2.246 27.315 -4.494 277 HG SER 38 HG SER 38 -0.092 27.665 -3.340 278 H SER 39 H SER 39 -2.348 28.636 -6.780 279 HA SER 39 HA SER 39 -3.893 31.062 -7.251 280 HB2 SER 39 1HB SER 39 -4.858 29.250 -9.029 281 HB3 SER 39 2HB SER 39 -3.322 30.101 -9.264 282 HG SER 39 HG SER 39 -3.710 27.501 -9.069 283 HA PRO 40 HA PRO 40 -7.536 29.721 -5.216 284 HB2 PRO 40 1HB PRO 40 -9.648 30.295 -6.866 285 HB3 PRO 40 2HB PRO 40 -8.719 31.562 -5.997 286 HG2 PRO 40 1HG PRO 40 -8.381 30.598 -8.832 287 HG3 PRO 40 2HG PRO 40 -8.564 32.277 -8.226 288 HD2 PRO 40 1HD PRO 40 -6.130 31.259 -8.756 289 HD3 PRO 40 2HD PRO 40 -6.389 32.304 -7.316 290 H ASP 41 H ASP 41 -6.905 28.589 -8.487 291 HA ASP 41 HA ASP 41 -8.787 26.415 -8.441 292 HB2 ASP 41 1HB ASP 41 -8.076 25.978 -10.525 293 HB3 ASP 41 2HB ASP 41 -7.398 27.604 -10.412 294 H ASP 42 H ASP 42 -5.876 26.991 -6.835 295 HA ASP 42 HA ASP 42 -5.152 24.128 -6.637 296 HB2 ASP 42 1HB ASP 42 -3.455 25.683 -7.493 297 HB3 ASP 42 2HB ASP 42 -3.520 26.583 -5.981 298 H GLN 43 H GLN 43 -7.005 26.211 -4.851 299 HA GLN 43 HA GLN 43 -5.921 25.774 -2.238 300 HB2 GLN 43 1HB GLN 43 -8.809 26.136 -3.049 301 HB3 GLN 43 2HB GLN 43 -8.165 26.318 -1.415 302 HG2 GLN 43 1HG GLN 43 -7.528 28.032 -3.832 303 HG3 GLN 43 2HG GLN 43 -8.494 28.511 -2.441 304 HE21 GLN 43 1HE2 GLN 43 -4.537 29.137 -2.471 305 HE22 GLN 43 2HE2 GLN 43 -5.501 28.720 -3.876 306 H ILE 44 H ILE 44 -7.555 23.655 -4.427 307 HA ILE 44 HA ILE 44 -8.658 21.731 -2.642 308 HB ILE 44 HB ILE 44 -9.187 21.888 -5.056 309 HG12 ILE 44 1HG1 ILE 44 -8.019 19.152 -4.641 310 HG13 ILE 44 2HG1 ILE 44 -9.402 19.720 -3.703 311 HG21 ILE 44 1HG2 ILE 44 -6.389 20.794 -5.554 312 HG22 ILE 44 2HG2 ILE 44 -6.937 22.444 -5.918 313 HG23 ILE 44 3HG2 ILE 44 -7.635 21.072 -6.774 314 HD11 ILE 44 1HD1 ILE 44 -9.318 19.557 -6.762 315 HD12 ILE 44 2HD1 ILE 44 -10.706 20.091 -5.790 316 HD13 ILE 44 3HD1 ILE 44 -10.143 18.410 -5.693 317 H GLY 45 H GLY 45 -7.916 19.823 -1.745 318 HA2 GLY 45 1HA GLY 45 -5.462 18.584 -2.394 319 HA3 GLY 45 2HA GLY 45 -5.149 19.712 -1.064 320 H TYR 46 H TYR 46 -4.648 17.944 0.303 321 HA TYR 46 HA TYR 46 -7.054 16.952 1.649 322 HB2 TYR 46 1HB TYR 46 -6.500 14.620 1.486 323 HB3 TYR 46 2HB TYR 46 -6.578 15.258 -0.147 324 HD1 TYR 46 HD1 TYR 46 -4.495 13.836 2.470 325 HD2 TYR 46 HD2 TYR 46 -4.469 15.574 -1.465 326 HE1 TYR 46 HE1 TYR 46 -2.205 12.897 2.027 327 HE2 TYR 46 HE2 TYR 46 -2.181 14.671 -1.874 328 HH TYR 46 HH TYR 46 -0.429 13.497 -1.023 329 H TYR 47 H TYR 47 -6.332 15.755 3.690 330 HA TYR 47 HA TYR 47 -3.677 16.869 4.560 331 HB2 TYR 47 1HB TYR 47 -6.111 16.136 6.173 332 HB3 TYR 47 2HB TYR 47 -4.546 16.478 6.870 333 HD1 TYR 47 HD1 TYR 47 -3.942 18.655 7.498 334 HD2 TYR 47 HD2 TYR 47 -7.220 18.130 4.754 335 HE1 TYR 47 HE1 TYR 47 -4.555 21.060 7.743 336 HE2 TYR 47 HE2 TYR 47 -7.813 20.534 5.027 337 HH TYR 47 HH TYR 47 -7.430 22.464 6.188 338 H ARG 48 H ARG 48 -2.218 15.474 5.408 339 HA ARG 48 HA ARG 48 -2.883 12.567 5.153 340 HB2 ARG 48 1HB ARG 48 -1.200 13.654 3.570 341 HB3 ARG 48 2HB ARG 48 -0.143 13.873 4.956 342 HG2 ARG 48 1HG ARG 48 0.234 11.575 5.194 343 HG3 ARG 48 2HG ARG 48 -1.265 11.152 4.348 344 HD2 ARG 48 1HD ARG 48 -0.258 12.152 2.255 345 HD3 ARG 48 2HD ARG 48 1.284 12.242 3.126 346 HE ARG 48 HE ARG 48 0.411 9.613 3.431 347 HH11 ARG 48 1HH1 ARG 48 1.115 11.665 0.643 348 HH12 ARG 48 2HH1 ARG 48 1.619 10.317 -0.341 349 HH21 ARG 48 1HH2 ARG 48 1.063 7.941 2.118 350 HH22 ARG 48 2HH2 ARG 48 1.584 8.244 0.482 351 H ARG 49 H ARG 49 -2.839 11.397 6.910 352 HA ARG 49 HA ARG 49 -1.999 12.388 9.490 353 HB2 ARG 49 1HB ARG 49 -3.691 10.555 8.880 354 HB3 ARG 49 2HB ARG 49 -2.309 9.510 8.564 355 HG2 ARG 49 1HG ARG 49 -1.628 9.917 10.998 356 HG3 ARG 49 2HG ARG 49 -3.238 10.658 11.197 357 HD2 ARG 49 1HD ARG 49 -4.065 8.485 9.974 358 HD3 ARG 49 2HD ARG 49 -2.517 7.805 10.505 359 HE ARG 49 HE ARG 49 -3.860 9.048 12.706 360 HH11 ARG 49 1HH1 ARG 49 -4.168 6.176 10.652 361 HH12 ARG 49 2HH1 ARG 49 -5.008 5.287 11.884 362 HH21 ARG 49 1HH2 ARG 49 -4.954 7.863 14.200 363 HH22 ARG 49 2HH2 ARG 49 -5.424 6.215 13.873 364 H ALA 50 H ALA 50 -0.053 12.129 10.552 365 HA ALA 50 HA ALA 50 2.038 10.475 9.219 366 HB1 ALA 50 1HB ALA 50 2.402 12.799 8.495 367 HB2 ALA 50 2HB ALA 50 3.683 12.299 9.624 368 HB3 ALA 50 3HB ALA 50 2.360 13.352 10.185 369 H THR 51 H THR 51 3.062 9.180 10.580 370 HA THR 51 HA THR 51 3.469 9.969 13.408 371 HB THR 51 HB THR 51 2.869 7.605 14.120 372 HG1 THR 51 HG1 THR 51 1.387 6.544 12.594 373 HG21 THR 51 1HG2 THR 51 0.469 7.912 14.225 374 HG22 THR 51 2HG2 THR 51 0.516 9.081 12.886 375 HG23 THR 51 3HG2 THR 51 1.263 9.484 14.452 376 H ARG 52 H ARG 52 5.314 8.839 14.295 377 HA ARG 52 HA ARG 52 6.603 6.707 12.759 378 HB2 ARG 52 1HB ARG 52 7.424 8.734 11.511 379 HB3 ARG 52 2HB ARG 52 8.006 9.407 13.035 380 HG2 ARG 52 1HG ARG 52 9.917 8.521 12.009 381 HG3 ARG 52 2HG ARG 52 9.478 7.311 13.232 382 HD2 ARG 52 1HD ARG 52 8.423 5.923 11.526 383 HD3 ARG 52 2HD ARG 52 8.721 7.154 10.287 384 HE ARG 52 HE ARG 52 10.697 5.336 11.519 385 HH11 ARG 52 1HH1 ARG 52 10.164 8.035 9.296 386 HH12 ARG 52 2HH1 ARG 52 11.738 7.868 8.570 387 HH21 ARG 52 1HH2 ARG 52 12.688 5.184 10.530 388 HH22 ARG 52 2HH2 ARG 52 13.122 6.268 9.237 389 H ARG 53 H ARG 53 7.300 5.416 14.377 390 HA ARG 53 HA ARG 53 8.235 6.706 16.898 391 HB2 ARG 53 1HB ARG 53 5.811 5.852 16.955 392 HB3 ARG 53 2HB ARG 53 6.481 4.225 16.801 393 HG2 ARG 53 1HG ARG 53 7.775 5.746 18.945 394 HG3 ARG 53 2HG ARG 53 6.021 5.670 19.157 395 HD2 ARG 53 1HD ARG 53 6.081 3.217 18.982 396 HD3 ARG 53 2HD ARG 53 7.840 3.265 18.731 397 HE ARG 53 HE ARG 53 7.427 4.643 21.105 398 HH11 ARG 53 1HH1 ARG 53 6.673 1.363 20.037 399 HH12 ARG 53 2HH1 ARG 53 6.777 0.722 21.654 400 HH21 ARG 53 1HH2 ARG 53 7.548 3.763 23.123 401 HH22 ARG 53 2HH2 ARG 53 7.265 2.060 23.372 402 H ILE 54 H ILE 54 9.757 5.699 18.005 403 HA ILE 54 HA ILE 54 10.937 3.228 16.910 404 HB ILE 54 HB ILE 54 13.116 4.142 16.666 405 HG12 ILE 54 1HG1 ILE 54 13.374 5.477 18.639 406 HG13 ILE 54 2HG1 ILE 54 13.816 6.428 17.237 407 HG21 ILE 54 1HG2 ILE 54 12.982 5.915 14.985 408 HG22 ILE 54 2HG2 ILE 54 11.341 6.340 15.514 409 HG23 ILE 54 3HG2 ILE 54 11.650 4.757 14.762 410 HD11 ILE 54 1HD1 ILE 54 12.636 7.832 18.744 411 HD12 ILE 54 2HD1 ILE 54 11.298 6.675 18.883 412 HD13 ILE 54 3HD1 ILE 54 11.572 7.540 17.355 413 H ARG 55 H ARG 55 12.862 2.760 18.573 414 HA ARG 55 HA ARG 55 12.167 3.714 21.303 415 HB2 ARG 55 1HB ARG 55 11.069 1.472 20.945 416 HB3 ARG 55 2HB ARG 55 12.659 0.784 20.599 417 HG2 ARG 55 1HG ARG 55 12.658 2.266 23.125 418 HG3 ARG 55 2HG ARG 55 11.408 1.014 23.116 419 HD2 ARG 55 1HD ARG 55 14.313 0.487 22.371 420 HD3 ARG 55 2HD ARG 55 13.671 0.302 24.013 421 HE ARG 55 HE ARG 55 12.043 -1.186 22.210 422 HH11 ARG 55 1HH1 ARG 55 15.250 -1.336 23.674 423 HH12 ARG 55 2HH1 ARG 55 15.316 -3.075 23.576 424 HH21 ARG 55 1HH2 ARG 55 12.200 -3.410 22.117 425 HH22 ARG 55 2HH2 ARG 55 13.622 -4.222 22.712 426 H GLY 56 H GLY 56 14.004 4.872 21.660 427 HA2 GLY 56 1HA GLY 56 16.553 4.038 20.552 428 HA3 GLY 56 2HA GLY 56 16.278 5.323 21.753 429 H GLY 57 H GLY 57 18.451 3.534 21.975 430 HA2 GLY 57 1HA GLY 57 17.788 1.329 23.731 431 HA3 GLY 57 2HA GLY 57 19.411 2.009 23.451 432 H ASP 58 H ASP 58 18.611 4.693 24.020 433 HA ASP 58 HA ASP 58 18.717 4.659 26.959 434 HB2 ASP 58 1HB ASP 58 20.219 6.014 25.385 435 HB3 ASP 58 2HB ASP 58 18.801 7.005 25.046 436 H GLY 59 H GLY 59 16.291 4.146 25.066 437 HA2 GLY 59 1HA GLY 59 14.060 4.130 25.684 438 HA3 GLY 59 2HA GLY 59 14.400 5.321 26.937 439 H LYS 60 H LYS 60 15.688 6.942 24.564 440 HA LYS 60 HA LYS 60 13.579 8.754 24.353 441 HB2 LYS 60 1HB LYS 60 16.134 8.322 22.826 442 HB3 LYS 60 2HB LYS 60 14.978 9.561 22.301 443 HG2 LYS 60 1HG LYS 60 16.048 10.919 23.746 444 HG3 LYS 60 2HG LYS 60 15.075 10.085 24.963 445 HD2 LYS 60 1HD LYS 60 17.251 10.090 25.825 446 HD3 LYS 60 2HD LYS 60 16.994 8.448 25.224 447 HE2 LYS 60 1HE LYS 60 18.650 8.621 23.717 448 HE3 LYS 60 2HE LYS 60 18.121 10.240 23.185 449 HZ1 LYS 60 1HZ LYS 60 19.675 9.680 25.661 450 HZ2 LYS 60 2HZ LYS 60 19.212 11.176 25.140 451 HZ3 LYS 60 3HZ LYS 60 20.311 10.306 24.268 452 H MET 61 H MET 61 12.012 9.164 23.143 453 HA MET 61 HA MET 61 11.355 7.334 20.886 454 HB2 MET 61 1HB MET 61 9.644 8.736 22.944 455 HB3 MET 61 2HB MET 61 8.985 8.145 21.420 456 HG2 MET 61 1HG MET 61 9.849 5.879 21.939 457 HG3 MET 61 2HG MET 61 10.384 6.474 23.517 458 HE1 MET 61 1HE MET 61 6.728 7.848 22.128 459 HE2 MET 61 2HE MET 61 5.946 6.254 22.130 460 HE3 MET 61 3HE MET 61 7.372 6.555 21.094 461 H LYS 62 H LYS 62 9.298 8.774 19.723 462 HA LYS 62 HA LYS 62 10.665 11.275 18.814 463 HB2 LYS 62 1HB LYS 62 9.714 8.913 17.329 464 HB3 LYS 62 2HB LYS 62 9.064 10.421 16.699 465 HG2 LYS 62 1HG LYS 62 11.985 9.905 17.150 466 HG3 LYS 62 2HG LYS 62 11.138 9.677 15.609 467 HD2 LYS 62 1HD LYS 62 10.488 12.079 15.630 468 HD3 LYS 62 2HD LYS 62 11.397 12.298 17.138 469 HE2 LYS 62 1HE LYS 62 13.459 11.526 15.980 470 HE3 LYS 62 2HE LYS 62 12.542 11.432 14.462 471 HZ1 LYS 62 1HZ LYS 62 13.719 13.555 14.671 472 HZ2 LYS 62 2HZ LYS 62 12.940 13.898 16.085 473 HZ3 LYS 62 3HZ LYS 62 12.090 13.821 14.674 474 H ASP 63 H ASP 63 7.530 9.586 18.604 475 HA ASP 63 HA ASP 63 6.205 12.140 19.334 476 HB2 ASP 63 1HB ASP 63 4.543 11.821 17.585 477 HB3 ASP 63 2HB ASP 63 6.162 11.906 16.881 478 H LEU 64 H LEU 64 3.794 11.729 19.640 479 HA LEU 64 HA LEU 64 3.225 9.104 20.907 480 HB2 LEU 64 1HB LEU 64 2.700 11.862 22.092 481 HB3 LEU 64 2HB LEU 64 2.056 10.356 22.739 482 HG LEU 64 HG LEU 64 5.022 10.988 22.546 483 HD11 LEU 64 1HD1 LEU 64 4.879 11.488 24.945 484 HD12 LEU 64 2HD1 LEU 64 3.112 11.274 24.889 485 HD13 LEU 64 3HD1 LEU 64 3.884 12.600 23.983 486 HD21 LEU 64 1HD2 LEU 64 5.231 9.156 24.183 487 HD22 LEU 64 2HD2 LEU 64 4.505 8.598 22.663 488 HD23 LEU 64 3HD2 LEU 64 3.476 8.870 24.089 489 H SER 65 H SER 65 1.681 12.318 20.426 490 HA SER 65 HA SER 65 -0.801 11.087 19.560 491 HB2 SER 65 1HB SER 65 0.086 13.999 19.472 492 HB3 SER 65 2HB SER 65 -1.580 13.395 19.345 493 HG SER 65 HG SER 65 -1.317 13.948 21.444 494 HA PRO 66 HA PRO 66 0.207 11.280 15.253 495 HB2 PRO 66 1HB PRO 66 -2.222 11.378 14.036 496 HB3 PRO 66 2HB PRO 66 -1.676 9.910 14.912 497 HG2 PRO 66 1HG PRO 66 -3.455 12.137 15.873 498 HG3 PRO 66 2HG PRO 66 -3.731 10.368 15.943 499 HD2 PRO 66 1HD PRO 66 -2.758 11.777 18.060 500 HD3 PRO 66 2HD PRO 66 -2.232 10.091 17.719 501 H ARG 67 H ARG 67 0.293 12.775 13.468 502 HA ARG 67 HA ARG 67 -0.950 15.438 13.975 503 HB2 ARG 67 1HB ARG 67 1.093 16.548 13.259 504 HB3 ARG 67 2HB ARG 67 1.433 15.519 14.641 505 HG2 ARG 67 1HG ARG 67 2.087 13.770 12.878 506 HG3 ARG 67 2HG ARG 67 2.222 15.158 11.800 507 HD2 ARG 67 1HD ARG 67 3.977 16.048 12.998 508 HD3 ARG 67 2HD ARG 67 3.473 15.295 14.516 509 HE ARG 67 HE ARG 67 5.199 14.138 12.486 510 HH11 ARG 67 1HH1 ARG 67 3.005 13.328 15.152 511 HH12 ARG 67 2HH1 ARG 67 3.766 11.773 15.403 512 HH21 ARG 67 1HH2 ARG 67 6.097 12.139 12.907 513 HH22 ARG 67 2HH2 ARG 67 5.458 11.140 14.201 514 H TRP 68 H TRP 68 -1.047 16.719 11.961 515 HA TRP 68 HA TRP 68 -1.257 14.958 9.550 516 HB2 TRP 68 1HB TRP 68 -3.224 17.002 10.616 517 HB3 TRP 68 2HB TRP 68 -3.284 16.351 8.974 518 HD1 TRP 68 HD1 TRP 68 -3.563 15.072 12.635 519 HE1 TRP 68 HE1 TRP 68 -5.068 13.015 12.709 520 HE3 TRP 68 HE3 TRP 68 -4.289 14.544 7.605 521 HZ2 TRP 68 HZ2 TRP 68 -6.416 11.395 10.822 522 HZ3 TRP 68 HZ3 TRP 68 -5.769 12.698 6.792 523 HH2 TRP 68 HH2 TRP 68 -6.833 11.137 8.423 524 H TYR 69 H TYR 69 -0.837 15.932 7.595 525 HA TYR 69 HA TYR 69 0.215 18.754 7.667 526 HB2 TYR 69 1HB TYR 69 1.299 16.267 6.277 527 HB3 TYR 69 2HB TYR 69 1.787 17.904 5.869 528 HD1 TYR 69 HD1 TYR 69 1.862 15.360 8.607 529 HD2 TYR 69 HD2 TYR 69 3.422 19.104 7.166 530 HE1 TYR 69 HE1 TYR 69 3.660 15.300 10.349 531 HE2 TYR 69 HE2 TYR 69 5.226 19.010 8.875 532 HH TYR 69 HH TYR 69 5.465 16.379 11.256 533 H PHE 70 H PHE 70 -0.248 19.901 5.628 534 HA PHE 70 HA PHE 70 -2.534 18.682 4.173 535 HB2 PHE 70 1HB PHE 70 -2.848 20.950 5.096 536 HB3 PHE 70 2HB PHE 70 -1.464 21.524 4.161 537 HD1 PHE 70 HD1 PHE 70 -1.764 22.304 1.929 538 HD2 PHE 70 HD2 PHE 70 -4.856 19.953 3.779 539 HE1 PHE 70 HE1 PHE 70 -3.295 22.827 0.026 540 HE2 PHE 70 HE2 PHE 70 -6.401 20.485 1.880 541 HZ PHE 70 HZ PHE 70 -5.628 21.941 0.013 542 H TYR 71 H TYR 71 -2.411 18.156 2.067 543 HA TYR 71 HA TYR 71 0.126 18.785 0.635 544 HB2 TYR 71 1HB TYR 71 -0.895 16.201 1.589 545 HB3 TYR 71 2HB TYR 71 -0.466 16.216 -0.140 546 HD1 TYR 71 HD1 TYR 71 0.831 16.675 3.322 547 HD2 TYR 71 HD2 TYR 71 1.864 16.419 -0.845 548 HE1 TYR 71 HE1 TYR 71 3.240 16.430 3.925 549 HE2 TYR 71 HE2 TYR 71 4.268 16.170 -0.235 550 HH TYR 71 HH TYR 71 5.785 15.984 1.438 551 H TYR 72 H TYR 72 -0.087 19.062 -1.475 552 HA TYR 72 HA TYR 72 -2.698 19.799 -2.453 553 HB2 TYR 72 1HB TYR 72 0.058 19.769 -3.687 554 HB3 TYR 72 2HB TYR 72 -1.396 20.430 -4.448 555 HD1 TYR 72 HD1 TYR 72 0.845 20.842 -1.457 556 HD2 TYR 72 HD2 TYR 72 -2.257 22.572 -3.886 557 HE1 TYR 72 HE1 TYR 72 1.072 23.002 -0.246 558 HE2 TYR 72 HE2 TYR 72 -1.967 24.731 -2.713 559 HH TYR 72 HH TYR 72 -0.732 25.916 -1.208 560 H LEU 73 H LEU 73 -3.574 19.062 -4.517 561 HA LEU 73 HA LEU 73 -4.125 16.314 -4.483 562 HB2 LEU 73 1HB LEU 73 -4.993 18.591 -5.800 563 HB3 LEU 73 2HB LEU 73 -4.353 17.613 -7.109 564 HG LEU 73 HG LEU 73 -6.560 16.802 -5.193 565 HD11 LEU 73 1HD1 LEU 73 -8.002 17.125 -7.096 566 HD12 LEU 73 2HD1 LEU 73 -6.616 17.464 -8.153 567 HD13 LEU 73 3HD1 LEU 73 -7.052 18.602 -6.861 568 HD21 LEU 73 1HD2 LEU 73 -6.912 14.935 -6.855 569 HD22 LEU 73 2HD2 LEU 73 -5.440 14.780 -5.888 570 HD23 LEU 73 3HD2 LEU 73 -5.340 15.347 -7.573 571 H GLY 74 H GLY 74 -3.308 14.499 -5.423 572 HA2 GLY 74 1HA GLY 74 -2.052 13.161 -6.798 573 HA3 GLY 74 2HA GLY 74 -1.915 14.535 -7.896 574 H THR 75 H THR 75 -0.619 14.672 -4.587 575 HA THR 75 HA THR 75 2.063 14.970 -5.814 576 HB THR 75 HB THR 75 2.688 15.656 -3.427 577 HG1 THR 75 HG1 THR 75 -0.073 16.094 -3.034 578 HG21 THR 75 1HG2 THR 75 1.577 17.881 -3.610 579 HG22 THR 75 2HG2 THR 75 0.549 17.242 -4.913 580 HG23 THR 75 3HG2 THR 75 2.310 17.352 -5.139 581 H GLY 76 H GLY 76 3.825 13.755 -5.223 582 HA2 GLY 76 1HA GLY 76 4.874 12.031 -3.884 583 HA3 GLY 76 2HA GLY 76 3.290 11.264 -3.655 584 HA PRO 77 HA PRO 77 5.479 10.302 -7.838 585 HB2 PRO 77 1HB PRO 77 7.137 8.161 -7.391 586 HB3 PRO 77 2HB PRO 77 7.647 9.858 -7.206 587 HG2 PRO 77 1HG PRO 77 6.733 7.959 -5.072 588 HG3 PRO 77 2HG PRO 77 8.204 8.981 -5.116 589 HD2 PRO 77 1HD PRO 77 5.988 9.773 -3.800 590 HD3 PRO 77 2HD PRO 77 6.993 10.949 -4.719 591 H GLU 78 H GLU 78 4.730 7.783 -5.450 592 HA GLU 78 HA GLU 78 3.384 6.177 -7.584 593 HB2 GLU 78 1HB GLU 78 3.713 4.273 -6.070 594 HB3 GLU 78 2HB GLU 78 5.247 5.070 -6.431 595 HG2 GLU 78 1HG GLU 78 5.117 6.267 -4.240 596 HG3 GLU 78 2HG GLU 78 3.636 5.374 -3.870 597 H ALA 79 H ALA 79 2.424 8.579 -5.935 598 HA ALA 79 HA ALA 79 0.684 7.640 -3.914 599 HB1 ALA 79 1HB ALA 79 1.296 9.993 -4.059 600 HB2 ALA 79 2HB ALA 79 -0.469 9.857 -4.192 601 HB3 ALA 79 3HB ALA 79 0.515 10.149 -5.647 602 H GLY 80 H GLY 80 -0.017 8.466 -7.331 603 HA2 GLY 80 1HA GLY 80 -1.728 7.832 -8.723 604 HA3 GLY 80 2HA GLY 80 -1.776 6.332 -7.790 605 H LEU 81 H LEU 81 -2.503 9.446 -6.263 606 HA LEU 81 HA LEU 81 -5.199 8.392 -5.755 607 HB2 LEU 81 1HB LEU 81 -3.393 10.385 -4.395 608 HB3 LEU 81 2HB LEU 81 -5.086 10.245 -4.026 609 HG LEU 81 HG LEU 81 -3.098 8.019 -3.650 610 HD11 LEU 81 1HD1 LEU 81 -3.176 8.566 -1.291 611 HD12 LEU 81 2HD1 LEU 81 -4.377 9.839 -1.578 612 HD13 LEU 81 3HD1 LEU 81 -2.718 10.017 -2.192 613 HD21 LEU 81 1HD2 LEU 81 -4.882 6.942 -2.356 614 HD22 LEU 81 2HD2 LEU 81 -5.427 7.237 -4.020 615 HD23 LEU 81 3HD2 LEU 81 -5.970 8.296 -2.694 616 HA PRO 82 HA PRO 82 -6.773 11.957 -8.057 617 HB2 PRO 82 1HB PRO 82 -9.226 10.900 -8.559 618 HB3 PRO 82 2HB PRO 82 -7.785 10.377 -9.494 619 HG2 PRO 82 1HG PRO 82 -9.121 9.048 -7.153 620 HG3 PRO 82 2HG PRO 82 -8.542 8.327 -8.677 621 HD2 PRO 82 1HD PRO 82 -7.149 8.244 -6.363 622 HD3 PRO 82 2HD PRO 82 -6.389 8.210 -7.973 623 H TYR 83 H TYR 83 -8.751 13.330 -7.448 624 HA TYR 83 HA TYR 83 -8.876 13.665 -4.627 625 HB2 TYR 83 1HB TYR 83 -9.337 15.432 -6.305 626 HB3 TYR 83 2HB TYR 83 -10.835 14.604 -6.747 627 HD1 TYR 83 HD1 TYR 83 -9.083 16.507 -4.084 628 HD2 TYR 83 HD2 TYR 83 -12.807 14.729 -5.298 629 HE1 TYR 83 HE1 TYR 83 -10.252 17.704 -2.260 630 HE2 TYR 83 HE2 TYR 83 -13.975 15.946 -3.456 631 HH TYR 83 HH TYR 83 -13.765 17.363 -1.688 632 H GLY 84 H GLY 84 -10.088 12.745 -3.089 633 HA2 GLY 84 1HA GLY 84 -12.071 11.864 -2.192 634 HA3 GLY 84 2HA GLY 84 -12.657 11.489 -3.812 635 H ALA 85 H ALA 85 -9.584 10.263 -3.870 636 HA ALA 85 HA ALA 85 -10.539 7.573 -3.638 637 HB1 ALA 85 1HB ALA 85 -8.749 7.960 -5.087 638 HB2 ALA 85 2HB ALA 85 -8.080 7.012 -3.745 639 HB3 ALA 85 3HB ALA 85 -7.780 8.770 -3.837 640 H ASN 86 H ASN 86 -10.680 6.192 -2.023 641 HA ASN 86 HA ASN 86 -10.248 7.125 0.689 642 HB2 ASN 86 1HB ASN 86 -12.144 5.652 0.006 643 HB3 ASN 86 2HB ASN 86 -10.984 4.359 -0.342 644 HD21 ASN 86 1HD2 ASN 86 -11.519 3.203 2.891 645 HD22 ASN 86 2HD2 ASN 86 -11.634 2.905 1.173 646 H LYS 87 H LYS 87 -8.542 6.867 1.980 647 HA LYS 87 HA LYS 87 -6.804 4.517 1.756 648 HB2 LYS 87 1HB LYS 87 -5.882 6.092 0.065 649 HB3 LYS 87 2HB LYS 87 -5.736 7.318 1.292 650 HG2 LYS 87 1HG LYS 87 -3.904 6.334 2.312 651 HG3 LYS 87 2HG LYS 87 -4.346 4.693 1.771 652 HD2 LYS 87 1HD LYS 87 -3.409 6.861 -0.099 653 HD3 LYS 87 2HD LYS 87 -2.298 5.733 0.679 654 HE2 LYS 87 1HE LYS 87 -3.469 3.820 -0.392 655 HE3 LYS 87 2HE LYS 87 -4.610 4.933 -1.162 656 HZ1 LYS 87 1HZ LYS 87 -1.685 4.853 -1.704 657 HZ2 LYS 87 2HZ LYS 87 -2.753 5.886 -2.420 658 HZ3 LYS 87 3HZ LYS 87 -2.860 4.268 -2.698 659 H ASP 88 H ASP 88 -5.501 4.347 3.712 660 HA ASP 88 HA ASP 88 -6.851 5.360 6.032 661 HB2 ASP 88 1HB ASP 88 -5.538 3.246 6.041 662 HB3 ASP 88 2HB ASP 88 -4.055 4.185 5.801 663 H GLY 89 H GLY 89 -6.553 7.137 7.218 664 HA2 GLY 89 1HA GLY 89 -5.613 9.079 8.005 665 HA3 GLY 89 2HA GLY 89 -4.060 8.518 7.375 666 H ILE 90 H ILE 90 -6.842 8.937 5.236 667 HA ILE 90 HA ILE 90 -5.623 11.476 4.240 668 HB ILE 90 HB ILE 90 -6.730 9.183 2.523 669 HG12 ILE 90 1HG1 ILE 90 -4.484 8.696 3.404 670 HG13 ILE 90 2HG1 ILE 90 -4.493 8.908 1.662 671 HG21 ILE 90 1HG2 ILE 90 -5.856 10.665 0.606 672 HG22 ILE 90 2HG2 ILE 90 -5.727 11.982 1.799 673 HG23 ILE 90 3HG2 ILE 90 -7.305 11.256 1.442 674 HD11 ILE 90 1HD1 ILE 90 -2.571 9.877 2.953 675 HD12 ILE 90 2HD1 ILE 90 -3.700 11.160 3.473 676 HD13 ILE 90 3HD1 ILE 90 -3.361 10.908 1.744 677 H ILE 91 H ILE 91 -6.987 13.084 4.080 678 HA ILE 91 HA ILE 91 -9.890 12.471 3.667 679 HB ILE 91 HB ILE 91 -10.438 14.488 5.096 680 HG12 ILE 91 1HG1 ILE 91 -8.042 14.233 6.768 681 HG13 ILE 91 2HG1 ILE 91 -7.651 14.812 5.171 682 HG21 ILE 91 1HG2 ILE 91 -10.794 12.152 5.884 683 HG22 ILE 91 2HG2 ILE 91 -10.410 13.265 7.214 684 HG23 ILE 91 3HG2 ILE 91 -9.163 12.153 6.593 685 HD11 ILE 91 1HD1 ILE 91 -8.131 16.658 6.718 686 HD12 ILE 91 2HD1 ILE 91 -9.785 16.048 6.923 687 HD13 ILE 91 3HD1 ILE 91 -9.228 16.628 5.328 688 H TRP 92 H TRP 92 -10.560 13.337 1.828 689 HA TRP 92 HA TRP 92 -8.932 15.415 0.548 690 HB2 TRP 92 1HB TRP 92 -11.374 13.860 -0.346 691 HB3 TRP 92 2HB TRP 92 -10.505 15.033 -1.344 692 HD1 TRP 92 HD1 TRP 92 -10.244 11.514 0.007 693 HE1 TRP 92 HE1 TRP 92 -8.260 10.302 -0.988 694 HE3 TRP 92 HE3 TRP 92 -8.098 15.531 -2.322 695 HZ2 TRP 92 HZ2 TRP 92 -5.989 10.999 -2.520 696 HZ3 TRP 92 HZ3 TRP 92 -5.967 15.173 -3.584 697 HH2 TRP 92 HH2 TRP 92 -4.921 12.902 -3.685 698 H VAL 93 H VAL 93 -9.387 17.488 0.282 699 HA VAL 93 HA VAL 93 -12.110 18.479 0.958 700 HB VAL 93 HB VAL 93 -10.817 20.385 2.223 701 HG11 VAL 93 1HG1 VAL 93 -10.997 19.177 4.353 702 HG12 VAL 93 2HG1 VAL 93 -11.133 17.634 3.484 703 HG13 VAL 93 3HG1 VAL 93 -12.406 18.870 3.319 704 HG21 VAL 93 1HG2 VAL 93 -8.734 19.811 3.251 705 HG22 VAL 93 2HG2 VAL 93 -8.533 19.375 1.545 706 HG23 VAL 93 3HG2 VAL 93 -8.850 18.110 2.753 707 H ALA 94 H ALA 94 -12.558 20.549 0.034 708 HA ALA 94 HA ALA 94 -10.594 21.795 -1.752 709 HB1 ALA 94 1HB ALA 94 -11.531 19.884 -3.126 710 HB2 ALA 94 2HB ALA 94 -11.947 21.484 -3.780 711 HB3 ALA 94 3HB ALA 94 -13.159 20.551 -2.870 712 H THR 95 H THR 95 -11.687 23.775 -2.714 713 HA THR 95 HA THR 95 -14.095 24.612 -1.163 714 HB THR 95 HB THR 95 -11.952 25.750 -0.326 715 HG1 THR 95 HG1 THR 95 -12.980 27.902 -0.636 716 HG21 THR 95 1HG2 THR 95 -10.907 27.427 -1.670 717 HG22 THR 95 2HG2 THR 95 -12.111 27.247 -2.965 718 HG23 THR 95 3HG2 THR 95 -10.937 25.950 -2.652 719 H GLU 96 H GLU 96 -15.100 26.570 -2.459 720 HA GLU 96 HA GLU 96 -15.700 25.575 -5.066 721 HB2 GLU 96 1HB GLU 96 -17.200 26.953 -3.616 722 HB3 GLU 96 2HB GLU 96 -16.179 28.359 -3.945 723 HG2 GLU 96 1HG GLU 96 -16.703 28.199 -6.339 724 HG3 GLU 96 2HG GLU 96 -17.664 26.740 -6.045 725 H GLY 97 H GLY 97 -14.928 26.048 -7.033 726 HA2 GLY 97 1HA GLY 97 -13.887 27.379 -8.679 727 HA3 GLY 97 2HA GLY 97 -13.129 28.357 -7.415 728 H ALA 98 H ALA 98 -12.560 25.420 -6.259 729 HA ALA 98 HA ALA 98 -9.857 25.385 -7.311 730 HB1 ALA 98 1HB ALA 98 -10.573 24.954 -4.935 731 HB2 ALA 98 2HB ALA 98 -9.418 23.817 -5.653 732 HB3 ALA 98 3HB ALA 98 -11.138 23.361 -5.501 733 H LEU 99 H LEU 99 -8.897 23.865 -8.685 734 HA LEU 99 HA LEU 99 -10.853 22.243 -10.233 735 HB2 LEU 99 1HB LEU 99 -8.091 23.301 -10.837 736 HB3 LEU 99 2HB LEU 99 -8.893 22.110 -11.843 737 HG LEU 99 HG LEU 99 -9.848 24.945 -11.364 738 HD11 LEU 99 1HD1 LEU 99 -8.657 23.497 -13.764 739 HD12 LEU 99 2HD1 LEU 99 -7.835 24.716 -12.757 740 HD13 LEU 99 3HD1 LEU 99 -9.233 25.184 -13.749 741 HD21 LEU 99 1HD2 LEU 99 -11.483 24.429 -13.187 742 HD22 LEU 99 2HD2 LEU 99 -11.800 23.528 -11.696 743 HD23 LEU 99 3HD2 LEU 99 -11.022 22.714 -13.080 744 H ASN 100 H ASN 100 -10.739 20.168 -10.567 745 HA ASN 100 HA ASN 100 -8.988 18.559 -8.856 746 HB2 ASN 100 1HB ASN 100 -11.385 17.996 -9.202 747 HB3 ASN 100 2HB ASN 100 -11.070 17.749 -10.925 748 HD21 ASN 100 1HD2 ASN 100 -10.776 14.372 -10.098 749 HD22 ASN 100 2HD2 ASN 100 -11.737 15.619 -10.851 750 H THR 101 H THR 101 -6.993 19.363 -9.907 751 HA THR 101 HA THR 101 -6.277 17.592 -12.186 752 HB THR 101 HB THR 101 -6.874 20.045 -12.914 753 HG1 THR 101 HG1 THR 101 -5.185 19.988 -14.426 754 HG21 THR 101 1HG2 THR 101 -5.123 21.677 -12.703 755 HG22 THR 101 2HG2 THR 101 -4.067 20.504 -11.875 756 HG23 THR 101 3HG2 THR 101 -5.546 21.110 -11.074 757 HA PRO 102 HA PRO 102 -2.832 16.786 -9.576 758 HB2 PRO 102 1HB PRO 102 -0.961 17.091 -11.904 759 HB3 PRO 102 2HB PRO 102 -1.214 15.677 -10.833 760 HG2 PRO 102 1HG PRO 102 -2.144 15.664 -13.314 761 HG3 PRO 102 2HG PRO 102 -3.150 15.036 -11.970 762 HD2 PRO 102 1HD PRO 102 -3.265 17.715 -13.329 763 HD3 PRO 102 2HD PRO 102 -4.596 16.569 -12.951 764 H LYS 103 H LYS 103 -1.310 17.766 -8.310 765 HA LYS 103 HA LYS 103 -0.389 20.515 -9.096 766 HB2 LYS 103 1HB LYS 103 -1.094 19.526 -6.331 767 HB3 LYS 103 2HB LYS 103 -0.736 21.181 -6.803 768 HG2 LYS 103 1HG LYS 103 -3.180 19.575 -7.552 769 HG3 LYS 103 2HG LYS 103 -3.105 20.849 -6.348 770 HD2 LYS 103 1HD LYS 103 -2.438 22.432 -8.208 771 HD3 LYS 103 2HD LYS 103 -2.836 21.144 -9.357 772 HE2 LYS 103 1HE LYS 103 -5.118 21.050 -8.550 773 HE3 LYS 103 2HE LYS 103 -4.727 22.170 -7.229 774 HZ1 LYS 103 1HZ LYS 103 -5.811 23.341 -8.986 775 HZ2 LYS 103 2HZ LYS 103 -4.709 22.840 -10.104 776 HZ3 LYS 103 3HZ LYS 103 -4.254 23.859 -8.893 777 H ASP 104 H ASP 104 0.952 17.989 -9.475 778 HA ASP 104 HA ASP 104 2.659 17.133 -7.448 779 HB2 ASP 104 1HB ASP 104 4.033 16.214 -9.232 780 HB3 ASP 104 2HB ASP 104 2.324 16.049 -9.670 781 H HIS 105 H HIS 105 3.219 19.736 -9.809 782 HA HIS 105 HA HIS 105 5.898 20.311 -8.908 783 HB2 HIS 105 1HB HIS 105 5.784 22.147 -10.450 784 HB3 HIS 105 2HB HIS 105 4.968 20.759 -11.181 785 HD1 HIS 105 HD1 HIS 105 4.398 24.278 -10.012 786 HD2 HIS 105 HD2 HIS 105 2.095 21.026 -11.317 787 HE1 HIS 105 HE1 HIS 105 2.076 25.186 -10.574 788 H ILE 106 H ILE 106 2.994 20.961 -7.313 789 HA ILE 106 HA ILE 106 3.952 23.578 -6.283 790 HB ILE 106 HB ILE 106 1.327 22.098 -5.740 791 HG12 ILE 106 1HG1 ILE 106 2.074 24.305 -7.705 792 HG13 ILE 106 2HG1 ILE 106 1.530 22.673 -8.087 793 HG21 ILE 106 1HG2 ILE 106 0.580 24.255 -4.776 794 HG22 ILE 106 2HG2 ILE 106 2.150 25.005 -5.145 795 HG23 ILE 106 3HG2 ILE 106 2.028 23.715 -3.927 796 HD11 ILE 106 1HD1 ILE 106 -0.351 23.951 -8.431 797 HD12 ILE 106 2HD1 ILE 106 -0.064 24.972 -6.997 798 HD13 ILE 106 3HD1 ILE 106 -0.589 23.282 -6.799 799 H GLY 107 H GLY 107 3.126 20.269 -5.155 800 HA2 GLY 107 1HA GLY 107 3.751 20.900 -2.403 801 HA3 GLY 107 2HA GLY 107 3.480 19.296 -3.083 802 H THR 108 H THR 108 5.928 21.048 -4.706 803 HA THR 108 HA THR 108 7.931 19.167 -3.731 804 HB THR 108 HB THR 108 7.645 19.761 -6.156 805 HG1 THR 108 HG1 THR 108 10.161 20.381 -4.971 806 HG21 THR 108 1HG2 THR 108 8.461 21.853 -7.035 807 HG22 THR 108 2HG2 THR 108 8.977 22.405 -5.430 808 HG23 THR 108 3HG2 THR 108 7.245 22.237 -5.803 809 H ARG 109 H ARG 109 6.947 21.529 -1.942 810 HA ARG 109 HA ARG 109 9.049 23.421 -1.709 811 HB2 ARG 109 1HB ARG 109 6.832 23.538 -0.498 812 HB3 ARG 109 2HB ARG 109 7.419 22.269 0.586 813 HG2 ARG 109 1HG ARG 109 9.352 23.790 1.198 814 HG3 ARG 109 2HG ARG 109 8.583 25.058 0.239 815 HD2 ARG 109 1HD ARG 109 8.012 25.409 2.546 816 HD3 ARG 109 2HD ARG 109 6.570 24.863 1.696 817 HE ARG 109 HE ARG 109 6.545 22.917 2.952 818 HH11 ARG 109 1HH1 ARG 109 9.622 24.572 3.600 819 HH12 ARG 109 2HH1 ARG 109 9.954 23.555 4.966 820 HH21 ARG 109 1HH2 ARG 109 7.039 21.728 4.695 821 HH22 ARG 109 2HH2 ARG 109 8.541 21.958 5.567 822 H ASN 110 H ASN 110 11.106 23.272 -1.086 823 HA ASN 110 HA ASN 110 12.044 20.698 0.061 824 HB2 ASN 110 1HB ASN 110 13.491 23.169 -0.954 825 HB3 ASN 110 2HB ASN 110 14.312 21.743 -0.324 826 HD21 ASN 110 1HD2 ASN 110 13.377 19.736 -3.179 827 HD22 ASN 110 2HD2 ASN 110 13.464 19.622 -1.442 828 HA PRO 111 HA PRO 111 11.788 22.936 3.900 829 HB2 PRO 111 1HB PRO 111 12.868 21.121 5.620 830 HB3 PRO 111 2HB PRO 111 11.227 20.920 4.921 831 HG2 PRO 111 1HG PRO 111 13.833 19.716 3.991 832 HG3 PRO 111 2HG PRO 111 12.267 18.903 4.307 833 HD2 PRO 111 1HD PRO 111 13.004 19.609 1.817 834 HD3 PRO 111 2HD PRO 111 11.295 19.745 2.359 835 H ALA 112 H ALA 112 14.697 21.691 2.468 836 HA ALA 112 HA ALA 112 16.545 22.981 4.289 837 HB1 ALA 112 1HB ALA 112 17.187 20.994 2.968 838 HB2 ALA 112 2HB ALA 112 18.214 22.384 2.544 839 HB3 ALA 112 3HB ALA 112 16.899 21.889 1.452 840 H ASN 113 H ASN 113 14.714 23.945 1.459 841 HA ASN 113 HA ASN 113 16.460 26.317 1.062 842 HB2 ASN 113 1HB ASN 113 14.235 25.162 -0.654 843 HB3 ASN 113 2HB ASN 113 15.205 26.577 -1.051 844 HD21 ASN 113 1HD2 ASN 113 16.533 23.330 -2.564 845 HD22 ASN 113 2HD2 ASN 113 14.898 23.920 -2.403 846 H ASN 114 H ASN 114 13.269 25.435 2.228 847 HA ASN 114 HA ASN 114 12.751 28.291 2.796 848 HB2 ASN 114 1HB ASN 114 11.724 28.092 0.637 849 HB3 ASN 114 2HB ASN 114 10.944 26.559 1.083 850 HD21 ASN 114 1HD2 ASN 114 8.197 28.050 2.522 851 HD22 ASN 114 2HD2 ASN 114 8.953 26.689 1.727 852 H ALA 115 H ALA 115 11.215 28.677 4.412 853 HA ALA 115 HA ALA 115 10.835 26.408 6.253 854 HB1 ALA 115 1HB ALA 115 11.709 28.560 7.095 855 HB2 ALA 115 2HB ALA 115 10.149 28.160 7.852 856 HB3 ALA 115 3HB ALA 115 10.219 29.378 6.558 857 H ALA 116 H ALA 116 8.868 25.770 7.107 858 HA ALA 116 HA ALA 116 6.591 25.824 5.343 859 HB1 ALA 116 1HB ALA 116 5.534 24.393 7.010 860 HB2 ALA 116 2HB ALA 116 6.758 24.830 8.224 861 HB3 ALA 116 3HB ALA 116 7.216 23.865 6.801 862 H ILE 117 H ILE 117 4.542 26.661 5.721 863 HA ILE 117 HA ILE 117 4.515 29.214 7.218 864 HB ILE 117 HB ILE 117 2.467 27.904 5.376 865 HG12 ILE 117 1HG1 ILE 117 4.105 30.290 4.579 866 HG13 ILE 117 2HG1 ILE 117 4.856 28.703 4.498 867 HG21 ILE 117 1HG2 ILE 117 1.517 30.218 5.180 868 HG22 ILE 117 2HG2 ILE 117 2.662 30.771 6.422 869 HG23 ILE 117 3HG2 ILE 117 1.399 29.585 6.825 870 HD11 ILE 117 1HD1 ILE 117 3.907 29.270 2.356 871 HD12 ILE 117 2HD1 ILE 117 2.308 29.506 3.097 872 HD13 ILE 117 3HD1 ILE 117 3.043 27.883 3.063 873 H VAL 118 H VAL 118 3.201 29.526 9.098 874 HA VAL 118 HA VAL 118 2.176 27.235 10.531 875 HB VAL 118 HB VAL 118 1.473 30.216 10.772 876 HG11 VAL 118 1HG1 VAL 118 -0.275 28.845 11.802 877 HG12 VAL 118 2HG1 VAL 118 0.701 29.623 13.062 878 HG13 VAL 118 3HG1 VAL 118 0.948 27.905 12.689 879 HG21 VAL 118 1HG2 VAL 118 3.037 30.132 12.738 880 HG22 VAL 118 2HG2 VAL 118 3.848 29.849 11.184 881 HG23 VAL 118 3HG2 VAL 118 3.490 28.479 12.259 882 H LEU 119 H LEU 119 0.356 26.111 10.098 883 HA LEU 119 HA LEU 119 -1.252 26.776 7.823 884 HB2 LEU 119 1HB LEU 119 -0.774 24.489 8.818 885 HB3 LEU 119 2HB LEU 119 -1.951 24.863 10.063 886 HG LEU 119 HG LEU 119 -2.814 25.098 7.196 887 HD11 LEU 119 1HD1 LEU 119 -2.699 22.406 8.591 888 HD12 LEU 119 2HD1 LEU 119 -1.499 22.941 7.396 889 HD13 LEU 119 3HD1 LEU 119 -3.200 22.760 6.926 890 HD21 LEU 119 1HD2 LEU 119 -4.924 24.070 8.174 891 HD22 LEU 119 2HD2 LEU 119 -4.486 25.635 8.881 892 HD23 LEU 119 3HD2 LEU 119 -4.158 24.136 9.765 893 H GLN 120 H GLN 120 -3.053 27.908 7.608 894 HA GLN 120 HA GLN 120 -4.553 28.804 10.038 895 HB2 GLN 120 1HB GLN 120 -3.742 30.403 7.589 896 HB3 GLN 120 2HB GLN 120 -4.921 30.949 8.789 897 HG2 GLN 120 1HG GLN 120 -3.317 31.312 10.410 898 HG3 GLN 120 2HG GLN 120 -2.184 30.165 9.694 899 HE21 GLN 120 1HE2 GLN 120 -0.717 32.458 7.483 900 HE22 GLN 120 2HE2 GLN 120 -0.931 30.770 7.901 901 H LEU 121 H LEU 121 -6.796 29.076 9.613 902 HA LEU 121 HA LEU 121 -7.699 27.684 7.122 903 HB2 LEU 121 1HB LEU 121 -8.745 27.771 9.949 904 HB3 LEU 121 2HB LEU 121 -9.873 27.556 8.623 905 HG LEU 121 HG LEU 121 -7.563 25.683 9.230 906 HD11 LEU 121 1HD1 LEU 121 -9.216 25.571 10.968 907 HD12 LEU 121 2HD1 LEU 121 -9.466 24.169 9.906 908 HD13 LEU 121 3HD1 LEU 121 -10.542 25.572 9.790 909 HD21 LEU 121 1HD2 LEU 121 -8.118 25.562 6.873 910 HD22 LEU 121 2HD2 LEU 121 -9.849 25.526 7.221 911 HD23 LEU 121 3HD2 LEU 121 -8.818 24.150 7.669 912 HA PRO 122 HA PRO 122 -9.422 31.542 6.043 913 HB2 PRO 122 1HB PRO 122 -11.490 30.870 4.405 914 HB3 PRO 122 2HB PRO 122 -9.767 30.600 3.946 915 HG2 PRO 122 1HG PRO 122 -11.732 28.670 5.150 916 HG3 PRO 122 2HG PRO 122 -10.711 28.468 3.694 917 HD2 PRO 122 1HD PRO 122 -9.969 27.477 6.072 918 HD3 PRO 122 2HD PRO 122 -8.766 28.197 4.947 919 H GLN 123 H GLN 123 -11.387 32.899 6.141 920 HA GLN 123 HA GLN 123 -12.542 32.814 8.692 921 HB2 GLN 123 1HB GLN 123 -12.348 34.786 7.146 922 HB3 GLN 123 2HB GLN 123 -13.690 34.128 6.200 923 HG2 GLN 123 1HG GLN 123 -15.186 34.342 8.137 924 HG3 GLN 123 2HG GLN 123 -13.842 34.932 9.127 925 HE21 GLN 123 1HE2 GLN 123 -15.781 37.861 7.957 926 HE22 GLN 123 2HE2 GLN 123 -16.111 36.438 8.915 927 H GLY 124 H GLY 124 -14.226 31.807 9.587 928 HA2 GLY 124 1HA GLY 124 -16.386 30.856 9.623 929 HA3 GLY 124 2HA GLY 124 -16.337 30.659 7.867 930 H THR 125 H THR 125 -13.428 29.490 8.396 931 HA THR 125 HA THR 125 -14.485 26.752 8.926 932 HB THR 125 HB THR 125 -11.807 27.485 7.697 933 HG1 THR 125 HG1 THR 125 -13.590 28.307 6.473 934 HG21 THR 125 1HG2 THR 125 -11.981 25.217 6.743 935 HG22 THR 125 2HG2 THR 125 -13.528 24.967 7.562 936 HG23 THR 125 3HG2 THR 125 -12.051 25.139 8.509 937 H THR 126 H THR 126 -13.916 25.659 10.683 938 HA THR 126 HA THR 126 -11.691 26.720 12.364 939 HB THR 126 HB THR 126 -13.199 25.831 14.302 940 HG1 THR 126 HG1 THR 126 -15.293 26.545 12.552 941 HG21 THR 126 1HG2 THR 126 -14.371 27.989 14.471 942 HG22 THR 126 2HG2 THR 126 -13.998 28.337 12.765 943 HG23 THR 126 3HG2 THR 126 -12.683 28.215 13.960 944 H LEU 127 H LEU 127 -10.524 25.182 13.518 945 HA LEU 127 HA LEU 127 -10.349 22.561 12.312 946 HB2 LEU 127 1HB LEU 127 -9.281 23.569 14.955 947 HB3 LEU 127 2HB LEU 127 -8.805 22.081 14.195 948 HG LEU 127 HG LEU 127 -8.236 24.802 12.996 949 HD11 LEU 127 1HD1 LEU 127 -5.961 24.536 13.860 950 HD12 LEU 127 2HD1 LEU 127 -6.416 23.007 14.646 951 HD13 LEU 127 3HD1 LEU 127 -7.130 24.538 15.197 952 HD21 LEU 127 1HD2 LEU 127 -6.564 23.541 11.675 953 HD22 LEU 127 2HD2 LEU 127 -8.207 22.951 11.383 954 HD23 LEU 127 3HD2 LEU 127 -7.111 22.024 12.431 955 HA PRO 128 HA PRO 128 -13.421 20.728 14.885 956 HB2 PRO 128 1HB PRO 128 -12.703 18.098 15.008 957 HB3 PRO 128 2HB PRO 128 -13.290 18.865 13.500 958 HG2 PRO 128 1HG PRO 128 -10.516 18.267 14.367 959 HG3 PRO 128 2HG PRO 128 -11.287 18.019 12.780 960 HD2 PRO 128 1HD PRO 128 -9.654 20.156 13.404 961 HD3 PRO 128 2HD PRO 128 -10.936 20.241 12.163 962 H LYS 129 H LYS 129 -13.674 19.419 16.997 963 HA LYS 129 HA LYS 129 -12.174 20.782 18.967 964 HB2 LYS 129 1HB LYS 129 -14.516 19.567 19.046 965 HB3 LYS 129 2HB LYS 129 -13.561 18.166 19.546 966 HG2 LYS 129 1HG LYS 129 -14.212 19.148 21.570 967 HG3 LYS 129 2HG LYS 129 -12.561 19.749 21.337 968 HD2 LYS 129 1HD LYS 129 -14.019 21.681 20.026 969 HD3 LYS 129 2HD LYS 129 -15.156 21.210 21.300 970 HE2 LYS 129 1HE LYS 129 -12.268 22.081 21.709 971 HE3 LYS 129 2HE LYS 129 -13.691 23.095 21.972 972 HZ1 LYS 129 1HZ LYS 129 -13.131 20.603 23.458 973 HZ2 LYS 129 2HZ LYS 129 -14.353 21.673 23.758 974 HZ3 LYS 129 3HZ LYS 129 -12.776 22.118 24.001 975 H GLY 130 H GLY 130 -10.320 20.409 19.977 976 HA2 GLY 130 1HA GLY 130 -8.696 19.053 21.018 977 HA3 GLY 130 2HA GLY 130 -9.207 17.680 20.036 978 H PHE 131 H PHE 131 -8.905 20.166 17.857 979 HA PHE 131 HA PHE 131 -6.178 19.301 17.177 980 HB2 PHE 131 1HB PHE 131 -8.603 20.026 15.693 981 HB3 PHE 131 2HB PHE 131 -7.154 20.843 15.112 982 HD1 PHE 131 HD1 PHE 131 -5.257 19.592 14.236 983 HD2 PHE 131 HD2 PHE 131 -8.874 17.638 15.439 984 HE1 PHE 131 HE1 PHE 131 -4.574 17.556 12.961 985 HE2 PHE 131 HE2 PHE 131 -8.230 15.631 14.149 986 HZ PHE 131 HZ PHE 131 -6.075 15.581 12.918 987 H TYR 132 H TYR 132 -4.616 20.654 16.842 988 HA TYR 132 HA TYR 132 -5.062 23.566 16.822 989 HB2 TYR 132 1HB TYR 132 -3.381 24.043 18.492 990 HB3 TYR 132 2HB TYR 132 -4.663 23.058 19.197 991 HD1 TYR 132 HD1 TYR 132 -1.091 23.241 18.366 992 HD2 TYR 132 HD2 TYR 132 -4.227 20.626 19.756 993 HE1 TYR 132 HE1 TYR 132 0.612 21.658 19.271 994 HE2 TYR 132 HE2 TYR 132 -2.517 19.066 20.658 995 HH TYR 132 HH TYR 132 -0.302 18.671 20.999 996 H ALA 133 H ALA 133 -3.021 24.699 16.140 997 HA ALA 133 HA ALA 133 -1.561 22.955 14.210 998 HB1 ALA 133 1HB ALA 133 -3.019 24.638 13.142 999 HB2 ALA 133 2HB ALA 133 -1.306 25.013 12.843 1000 HB3 ALA 133 3HB ALA 133 -2.217 25.930 14.061 1001 H GLU 134 H GLU 134 0.659 23.169 13.933 1002 HA GLU 134 HA GLU 134 2.124 24.052 16.285 1003 HB2 GLU 134 1HB GLU 134 2.898 22.127 15.052 1004 HB3 GLU 134 2HB GLU 134 2.931 23.031 13.548 1005 HG2 GLU 134 1HG GLU 134 5.185 22.747 14.280 1006 HG3 GLU 134 2HG GLU 134 4.766 24.454 14.473 1007 H GLY 135 H GLY 135 3.318 25.887 16.550 1008 HA2 GLY 135 1HA GLY 135 4.196 27.986 16.004 1009 HA3 GLY 135 2HA GLY 135 3.604 27.810 14.345 1010 H SER 136 H SER 136 1.016 26.994 16.137 1011 HA SER 136 HA SER 136 0.012 29.809 16.337 1012 HB2 SER 136 1HB SER 136 -0.905 28.301 14.471 1013 HB3 SER 136 2HB SER 136 -1.660 27.345 15.756 1014 HG SER 136 HG SER 136 -2.916 29.137 14.741 1015 H ARG 137 H ARG 137 -2.494 28.793 17.477 1016 HA ARG 137 HA ARG 137 -1.667 27.625 20.082 1017 HB2 ARG 137 1HB ARG 137 -3.292 30.176 19.644 1018 HB3 ARG 137 2HB ARG 137 -3.274 29.282 21.165 1019 HG2 ARG 137 1HG ARG 137 -0.815 30.531 19.885 1020 HG3 ARG 137 2HG ARG 137 -1.779 31.269 21.177 1021 HD2 ARG 137 1HD ARG 137 -1.310 29.323 22.637 1022 HD3 ARG 137 2HD ARG 137 -0.318 28.601 21.362 1023 HE ARG 137 HE ARG 137 0.371 30.880 23.085 1024 HH11 ARG 137 1HH1 ARG 137 1.299 28.980 20.230 1025 HH12 ARG 137 2HH1 ARG 137 2.957 29.518 20.325 1026 HH21 ARG 137 1HH2 ARG 137 2.496 31.510 23.110 1027 HH22 ARG 137 2HH2 ARG 137 3.612 30.930 21.906 1028 H GLY 138 H GLY 138 -3.595 26.804 21.179 1029 HA2 GLY 138 1HA GLY 138 -5.824 26.157 19.300 1030 HA3 GLY 138 2HA GLY 138 -5.078 24.930 20.352 1031 H GLY 139 H GLY 139 -7.645 25.083 20.824 1032 HA2 GLY 139 1HA GLY 139 -7.878 26.835 23.238 1033 HA3 GLY 139 2HA GLY 139 -9.230 26.535 22.128 1034 H SER 140 H SER 140 -9.542 25.945 24.789 1035 HA SER 140 HA SER 140 -8.907 23.173 25.367 1036 HB2 SER 140 1HB SER 140 -10.967 25.014 26.644 1037 HB3 SER 140 2HB SER 140 -10.273 23.535 27.350 1038 HG SER 140 HG SER 140 -8.192 24.641 27.127 Start of MODEL 30 1 H1 GLY 1 1H GLY 1 -1.312 1.402 6.788 2 H2 GLY 1 2H GLY 1 -1.608 2.508 5.602 3 H3 GLY 1 3H GLY 1 -0.880 2.979 7.002 4 HA2 GLY 1 1HA GLY 1 1.066 1.644 6.513 5 HA3 GLY 1 2HA GLY 1 0.278 1.131 5.009 6 H ALA 2 H ALA 2 2.741 2.255 4.682 7 HA ALA 2 HA ALA 2 2.068 4.705 3.225 8 HB1 ALA 2 1HB ALA 2 2.600 5.614 5.489 9 HB2 ALA 2 2HB ALA 2 3.863 6.044 4.312 10 HB3 ALA 2 3HB ALA 2 4.146 4.728 5.477 11 H MET 3 H MET 3 3.670 5.181 1.657 12 HA MET 3 HA MET 3 6.137 3.692 1.406 13 HB2 MET 3 1HB MET 3 5.598 2.613 -0.696 14 HB3 MET 3 2HB MET 3 4.460 2.014 0.509 15 HG2 MET 3 1HG MET 3 3.811 4.222 -1.474 16 HG3 MET 3 2HG MET 3 3.517 2.514 -1.779 17 HE1 MET 3 1HE MET 3 -0.114 3.662 -1.372 18 HE2 MET 3 2HE MET 3 1.092 2.800 -2.354 19 HE3 MET 3 3HE MET 3 1.206 4.563 -2.156 20 H GLY 4 H GLY 4 6.918 4.622 -0.954 21 HA2 GLY 4 1HA GLY 4 7.336 6.501 -2.204 22 HA3 GLY 4 2HA GLY 4 5.616 6.855 -2.034 23 H LEU 5 H LEU 5 8.238 6.890 0.428 24 HA LEU 5 HA LEU 5 7.190 9.273 1.585 25 HB2 LEU 5 1HB LEU 5 10.016 8.200 1.712 26 HB3 LEU 5 2HB LEU 5 9.361 9.447 2.757 27 HG LEU 5 HG LEU 5 8.422 6.554 2.674 28 HD11 LEU 5 1HD1 LEU 5 9.544 6.384 4.867 29 HD12 LEU 5 2HD1 LEU 5 10.133 8.058 4.697 30 HD13 LEU 5 3HD1 LEU 5 10.692 6.795 3.577 31 HD21 LEU 5 1HD2 LEU 5 7.235 7.167 4.796 32 HD22 LEU 5 2HD2 LEU 5 6.590 7.999 3.370 33 HD23 LEU 5 3HD2 LEU 5 7.652 8.874 4.498 34 HA PRO 6 HA PRO 6 8.678 11.903 -1.612 35 HB2 PRO 6 1HB PRO 6 8.159 14.355 -0.567 36 HB3 PRO 6 2HB PRO 6 6.847 13.248 -1.088 37 HG2 PRO 6 1HG PRO 6 7.954 13.712 1.671 38 HG3 PRO 6 2HG PRO 6 6.247 13.711 1.125 39 HD2 PRO 6 1HD PRO 6 7.415 11.530 2.269 40 HD3 PRO 6 2HD PRO 6 6.181 11.379 0.967 41 H ASN 7 H ASN 7 10.529 12.988 -2.191 42 HA ASN 7 HA ASN 7 12.558 13.350 -0.027 43 HB2 ASN 7 1HB ASN 7 13.113 11.795 -1.880 44 HB3 ASN 7 2HB ASN 7 12.903 13.113 -3.040 45 HD21 ASN 7 1HD2 ASN 7 16.243 13.955 -2.781 46 HD22 ASN 7 2HD2 ASN 7 14.830 13.694 -3.772 47 H ASN 8 H ASN 8 11.191 14.944 -2.935 48 HA ASN 8 HA ASN 8 12.517 17.479 -2.081 49 HB2 ASN 8 1HB ASN 8 12.355 18.152 -4.402 50 HB3 ASN 8 2HB ASN 8 13.120 16.557 -4.320 51 HD21 ASN 8 1HD2 ASN 8 9.971 17.033 -6.655 52 HD22 ASN 8 2HD2 ASN 8 11.013 18.309 -6.069 53 H THR 9 H THR 9 9.499 16.040 -1.883 54 HA THR 9 HA THR 9 8.145 18.657 -2.313 55 HB THR 9 HB THR 9 6.041 17.321 -2.666 56 HG1 THR 9 HG1 THR 9 6.703 15.398 -1.682 57 HG21 THR 9 1HG2 THR 9 6.554 16.643 -4.934 58 HG22 THR 9 2HG2 THR 9 8.288 16.581 -4.574 59 HG23 THR 9 3HG2 THR 9 7.432 18.141 -4.578 60 H ALA 10 H ALA 10 8.143 19.600 -0.366 61 HA ALA 10 HA ALA 10 7.211 17.992 1.958 62 HB1 ALA 10 1HB ALA 10 9.450 19.145 2.069 63 HB2 ALA 10 2HB ALA 10 8.302 19.639 3.335 64 HB3 ALA 10 3HB ALA 10 8.585 20.695 1.929 65 H SER 11 H SER 11 5.524 18.697 3.205 66 HA SER 11 HA SER 11 3.368 20.090 2.028 67 HB2 SER 11 1HB SER 11 3.123 18.647 4.029 68 HB3 SER 11 2HB SER 11 4.080 19.799 4.982 69 HG SER 11 HG SER 11 1.507 20.140 3.822 70 H TRP 12 H TRP 12 2.804 22.231 1.925 71 HA TRP 12 HA TRP 12 4.808 24.224 2.317 72 HB2 TRP 12 1HB TRP 12 2.025 24.108 1.373 73 HB3 TRP 12 2HB TRP 12 2.450 25.617 2.197 74 HD1 TRP 12 HD1 TRP 12 2.859 23.885 -1.070 75 HE1 TRP 12 HE1 TRP 12 4.353 25.172 -2.656 76 HE3 TRP 12 HE3 TRP 12 4.705 27.233 2.313 77 HZ2 TRP 12 HZ2 TRP 12 6.139 27.388 -2.493 78 HZ3 TRP 12 HZ3 TRP 12 6.325 28.970 1.518 79 HH2 TRP 12 HH2 TRP 12 7.046 29.022 -0.870 80 H PHE 13 H PHE 13 2.536 22.790 4.463 81 HA PHE 13 HA PHE 13 2.769 25.125 6.283 82 HB2 PHE 13 1HB PHE 13 0.478 23.167 6.055 83 HB3 PHE 13 2HB PHE 13 0.524 24.652 7.018 84 HD1 PHE 13 HD1 PHE 13 -0.106 23.186 3.756 85 HD2 PHE 13 HD2 PHE 13 0.571 26.873 5.852 86 HE1 PHE 13 HE1 PHE 13 -0.967 24.447 1.798 87 HE2 PHE 13 HE2 PHE 13 -0.260 28.147 3.885 88 HZ PHE 13 HZ PHE 13 -1.005 26.922 1.842 89 H THR 14 H THR 14 2.438 24.689 8.544 90 HA THR 14 HA THR 14 4.105 22.492 9.425 91 HB THR 14 HB THR 14 3.513 23.269 11.685 92 HG1 THR 14 HG1 THR 14 2.062 24.946 11.942 93 HG21 THR 14 1HG2 THR 14 4.440 25.538 11.547 94 HG22 THR 14 2HG2 THR 14 4.141 25.573 9.798 95 HG23 THR 14 3HG2 THR 14 5.326 24.433 10.475 96 H ALA 15 H ALA 15 3.341 20.987 11.157 97 HA ALA 15 HA ALA 15 1.038 19.587 10.068 98 HB1 ALA 15 1HB ALA 15 1.780 17.743 11.364 99 HB2 ALA 15 2HB ALA 15 2.732 18.796 12.450 100 HB3 ALA 15 3HB ALA 15 3.244 18.546 10.767 101 H LEU 16 H LEU 16 -0.958 19.485 10.847 102 HA LEU 16 HA LEU 16 -1.767 20.976 13.222 103 HB2 LEU 16 1HB LEU 16 -3.074 18.976 11.367 104 HB3 LEU 16 2HB LEU 16 -3.855 19.481 12.843 105 HG LEU 16 HG LEU 16 -3.151 21.297 10.542 106 HD11 LEU 16 1HD1 LEU 16 -5.583 21.355 10.186 107 HD12 LEU 16 2HD1 LEU 16 -5.826 20.234 11.547 108 HD13 LEU 16 3HD1 LEU 16 -4.981 19.689 10.079 109 HD21 LEU 16 1HD2 LEU 16 -4.608 22.922 11.809 110 HD22 LEU 16 2HD2 LEU 16 -3.058 22.565 12.582 111 HD23 LEU 16 3HD2 LEU 16 -4.550 21.811 13.193 112 H THR 17 H THR 17 -2.401 20.067 15.243 113 HA THR 17 HA THR 17 -1.350 17.288 15.687 114 HB THR 17 HB THR 17 -1.593 19.492 17.756 115 HG1 THR 17 HG1 THR 17 -0.200 20.257 16.213 116 HG21 THR 17 1HG2 THR 17 0.238 18.142 18.831 117 HG22 THR 17 2HG2 THR 17 0.004 16.907 17.575 118 HG23 THR 17 3HG2 THR 17 -1.315 17.288 18.714 119 H GLN 18 H GLN 18 -2.683 15.868 16.778 120 HA GLN 18 HA GLN 18 -5.426 16.879 17.401 121 HB2 GLN 18 1HB GLN 18 -5.442 15.199 15.661 122 HB3 GLN 18 2HB GLN 18 -4.355 14.164 16.564 123 HG2 GLN 18 1HG GLN 18 -6.597 13.225 16.622 124 HG3 GLN 18 2HG GLN 18 -6.129 13.718 18.245 125 HE21 GLN 18 1HE2 GLN 18 -9.629 14.872 16.923 126 HE22 GLN 18 2HE2 GLN 18 -8.706 13.467 16.401 127 H HIS 19 H HIS 19 -6.047 16.935 19.430 128 HA HIS 19 HA HIS 19 -4.788 15.010 21.373 129 HB2 HIS 19 1HB HIS 19 -4.322 17.383 21.952 130 HB3 HIS 19 2HB HIS 19 -6.047 17.751 21.834 131 HD1 HIS 19 HD1 HIS 19 -3.492 16.303 24.162 132 HD2 HIS 19 HD2 HIS 19 -7.632 16.708 23.931 133 HE1 HIS 19 HE1 HIS 19 -4.412 15.785 26.462 134 H GLY 20 H GLY 20 -6.226 13.323 21.098 135 HA2 GLY 20 1HA GLY 20 -8.755 13.238 22.156 136 HA3 GLY 20 2HA GLY 20 -9.022 13.860 20.510 137 H LYS 21 H LYS 21 -10.196 11.844 20.115 138 HA LYS 21 HA LYS 21 -8.358 9.510 19.678 139 HB2 LYS 21 1HB LYS 21 -11.314 9.605 20.362 140 HB3 LYS 21 2HB LYS 21 -10.444 8.147 19.890 141 HG2 LYS 21 1HG LYS 21 -8.942 8.422 21.853 142 HG3 LYS 21 2HG LYS 21 -9.877 9.851 22.342 143 HD2 LYS 21 1HD LYS 21 -11.925 8.432 22.467 144 HD3 LYS 21 2HD LYS 21 -10.936 7.008 22.087 145 HE2 LYS 21 1HE LYS 21 -10.571 8.834 24.504 146 HE3 LYS 21 2HE LYS 21 -11.364 7.247 24.525 147 HZ1 LYS 21 1HZ LYS 21 -9.063 7.100 25.247 148 HZ2 LYS 21 2HZ LYS 21 -8.522 7.726 23.819 149 HZ3 LYS 21 3HZ LYS 21 -9.263 6.252 23.846 150 H GLU 22 H GLU 22 -10.689 11.625 18.227 151 HA GLU 22 HA GLU 22 -11.386 9.935 15.994 152 HB2 GLU 22 1HB GLU 22 -11.587 12.933 16.431 153 HB3 GLU 22 2HB GLU 22 -12.360 12.055 15.104 154 HG2 GLU 22 1HG GLU 22 -13.819 10.890 16.610 155 HG3 GLU 22 2HG GLU 22 -12.896 11.421 18.025 156 H ASP 23 H ASP 23 -10.855 10.463 13.701 157 HA ASP 23 HA ASP 23 -7.994 10.685 13.385 158 HB2 ASP 23 1HB ASP 23 -10.390 10.238 11.678 159 HB3 ASP 23 2HB ASP 23 -9.045 11.048 10.860 160 H LEU 24 H LEU 24 -10.597 12.640 11.981 161 HA LEU 24 HA LEU 24 -10.125 15.265 12.411 162 HB2 LEU 24 1HB LEU 24 -7.756 15.111 11.684 163 HB3 LEU 24 2HB LEU 24 -8.235 14.302 10.211 164 HG LEU 24 HG LEU 24 -9.242 16.369 9.377 165 HD11 LEU 24 1HD1 LEU 24 -9.932 17.441 11.475 166 HD12 LEU 24 2HD1 LEU 24 -8.892 18.513 10.534 167 HD13 LEU 24 3HD1 LEU 24 -8.235 17.656 11.941 168 HD21 LEU 24 1HD2 LEU 24 -7.150 17.621 9.081 169 HD22 LEU 24 2HD2 LEU 24 -6.885 15.870 8.950 170 HD23 LEU 24 3HD2 LEU 24 -6.421 16.726 10.438 171 H LYS 25 H LYS 25 -11.658 16.357 11.038 172 HA LYS 25 HA LYS 25 -12.278 15.192 8.437 173 HB2 LYS 25 1HB LYS 25 -13.677 13.887 10.149 174 HB3 LYS 25 2HB LYS 25 -14.500 15.407 10.507 175 HG2 LYS 25 1HG LYS 25 -15.874 14.158 8.986 176 HG3 LYS 25 2HG LYS 25 -15.196 15.519 8.079 177 HD2 LYS 25 1HD LYS 25 -13.444 13.996 7.153 178 HD3 LYS 25 2HD LYS 25 -14.172 12.648 8.049 179 HE2 LYS 25 1HE LYS 25 -16.292 12.991 6.806 180 HE3 LYS 25 2HE LYS 25 -15.533 14.319 5.898 181 HZ1 LYS 25 1HZ LYS 25 -14.611 11.497 5.889 182 HZ2 LYS 25 2HZ LYS 25 -13.925 12.730 5.035 183 HZ3 LYS 25 3HZ LYS 25 -15.454 12.227 4.674 184 H PHE 26 H PHE 26 -13.091 16.750 7.063 185 HA PHE 26 HA PHE 26 -13.904 19.336 8.308 186 HB2 PHE 26 1HB PHE 26 -12.157 18.814 5.881 187 HB3 PHE 26 2HB PHE 26 -12.972 20.354 6.157 188 HD1 PHE 26 HD1 PHE 26 -9.821 19.060 6.319 189 HD2 PHE 26 HD2 PHE 26 -12.680 20.986 8.929 190 HE1 PHE 26 HE1 PHE 26 -7.983 19.826 7.797 191 HE2 PHE 26 HE2 PHE 26 -10.827 21.782 10.369 192 HZ PHE 26 HZ PHE 26 -8.470 21.197 9.810 193 HA PRO 27 HA PRO 27 -17.533 18.673 5.870 194 HB2 PRO 27 1HB PRO 27 -18.460 21.247 5.547 195 HB3 PRO 27 2HB PRO 27 -18.528 20.373 7.107 196 HG2 PRO 27 1HG PRO 27 -16.613 22.394 6.178 197 HG3 PRO 27 2HG PRO 27 -17.399 22.214 7.753 198 HD2 PRO 27 1HD PRO 27 -14.834 21.435 7.229 199 HD3 PRO 27 2HD PRO 27 -15.878 20.641 8.457 200 H ARG 28 H ARG 28 -18.515 19.068 3.737 201 HA ARG 28 HA ARG 28 -16.532 19.105 1.656 202 HB2 ARG 28 1HB ARG 28 -18.680 17.846 1.566 203 HB3 ARG 28 2HB ARG 28 -19.562 19.370 1.525 204 HG2 ARG 28 1HG ARG 28 -19.556 18.525 -0.690 205 HG3 ARG 28 2HG ARG 28 -18.428 19.887 -0.683 206 HD2 ARG 28 1HD ARG 28 -16.520 18.396 -0.678 207 HD3 ARG 28 2HD ARG 28 -17.555 16.994 -0.356 208 HE ARG 28 HE ARG 28 -18.205 16.911 -2.584 209 HH11 ARG 28 1HH1 ARG 28 -16.289 19.853 -2.123 210 HH12 ARG 28 2HH1 ARG 28 -16.123 20.115 -3.835 211 HH21 ARG 28 1HH2 ARG 28 -17.945 17.324 -4.746 212 HH22 ARG 28 2HH2 ARG 28 -17.052 18.719 -5.285 213 H GLY 29 H GLY 29 -15.786 20.728 0.402 214 HA2 GLY 29 1HA GLY 29 -15.821 22.782 -0.729 215 HA3 GLY 29 2HA GLY 29 -17.315 23.218 0.121 216 H GLN 30 H GLN 30 -15.047 21.980 2.277 217 HA GLN 30 HA GLN 30 -13.874 24.616 2.961 218 HB2 GLN 30 1HB GLN 30 -15.992 23.085 4.370 219 HB3 GLN 30 2HB GLN 30 -14.689 23.691 5.389 220 HG2 GLN 30 1HG GLN 30 -15.154 25.972 4.616 221 HG3 GLN 30 2HG GLN 30 -16.478 25.350 3.609 222 HE21 GLN 30 1HE2 GLN 30 -16.905 25.609 7.668 223 HE22 GLN 30 2HE2 GLN 30 -15.319 25.785 6.923 224 H GLY 31 H GLY 31 -12.363 24.304 4.867 225 HA2 GLY 31 1HA GLY 31 -11.144 22.814 6.294 226 HA3 GLY 31 2HA GLY 31 -11.411 21.503 5.143 227 H VAL 32 H VAL 32 -10.720 23.675 3.018 228 HA VAL 32 HA VAL 32 -7.940 22.948 2.752 229 HB VAL 32 HB VAL 32 -9.569 25.210 1.464 230 HG11 VAL 32 1HG1 VAL 32 -6.836 24.079 0.826 231 HG12 VAL 32 2HG1 VAL 32 -7.264 25.752 1.257 232 HG13 VAL 32 3HG1 VAL 32 -7.771 25.080 -0.279 233 HG21 VAL 32 1HG2 VAL 32 -10.475 22.986 0.919 234 HG22 VAL 32 2HG2 VAL 32 -8.855 22.443 0.411 235 HG23 VAL 32 3HG2 VAL 32 -9.692 23.716 -0.498 236 HA PRO 33 HA PRO 33 -6.670 26.047 5.661 237 HB2 PRO 33 1HB PRO 33 -3.966 25.802 5.395 238 HB3 PRO 33 2HB PRO 33 -4.977 24.581 6.224 239 HG2 PRO 33 1HG PRO 33 -3.897 24.573 3.470 240 HG3 PRO 33 2HG PRO 33 -3.950 23.266 4.673 241 HD2 PRO 33 1HD PRO 33 -5.700 23.429 2.658 242 HD3 PRO 33 2HD PRO 33 -6.099 22.720 4.253 243 H ILE 34 H ILE 34 -5.237 28.060 5.611 244 HA ILE 34 HA ILE 34 -5.901 29.517 3.198 245 HB ILE 34 HB ILE 34 -4.153 30.319 5.550 246 HG12 ILE 34 1HG1 ILE 34 -7.016 31.021 4.842 247 HG13 ILE 34 2HG1 ILE 34 -6.541 29.827 6.050 248 HG21 ILE 34 1HG2 ILE 34 -4.337 32.616 4.713 249 HG22 ILE 34 2HG2 ILE 34 -5.378 32.083 3.368 250 HG23 ILE 34 3HG2 ILE 34 -3.666 31.611 3.427 251 HD11 ILE 34 1HD1 ILE 34 -5.331 31.617 7.276 252 HD12 ILE 34 2HD1 ILE 34 -7.087 31.832 7.189 253 HD13 ILE 34 3HD1 ILE 34 -6.033 32.788 6.133 254 H ASN 35 H ASN 35 -4.957 29.107 1.425 255 HA ASN 35 HA ASN 35 -2.062 28.428 1.412 256 HB2 ASN 35 1HB ASN 35 -4.096 28.101 -0.799 257 HB3 ASN 35 2HB ASN 35 -2.423 27.569 -0.852 258 HD21 ASN 35 1HD2 ASN 35 -4.826 24.799 0.026 259 HD22 ASN 35 2HD2 ASN 35 -4.874 26.052 -1.185 260 H THR 36 H THR 36 -1.323 30.535 1.724 261 HA THR 36 HA THR 36 -2.082 32.768 0.082 262 HB THR 36 HB THR 36 -0.029 33.806 1.035 263 HG1 THR 36 HG1 THR 36 1.378 32.549 2.215 264 HG21 THR 36 1HG2 THR 36 -1.371 32.070 3.132 265 HG22 THR 36 2HG2 THR 36 -2.125 33.528 2.435 266 HG23 THR 36 3HG2 THR 36 -0.615 33.661 3.362 267 H ASN 37 H ASN 37 -0.152 30.071 -0.509 268 HA ASN 37 HA ASN 37 1.466 31.404 -2.629 269 HB2 ASN 37 1HB ASN 37 2.852 29.321 -2.447 270 HB3 ASN 37 2HB ASN 37 2.731 30.215 -0.925 271 HD21 ASN 37 1HD2 ASN 37 1.551 27.505 0.837 272 HD22 ASN 37 2HD2 ASN 37 2.405 29.030 0.792 273 H SER 38 H SER 38 -1.482 30.464 -2.821 274 HA SER 38 HA SER 38 -1.056 28.749 -5.223 275 HB2 SER 38 1HB SER 38 -3.038 28.222 -2.987 276 HB3 SER 38 2HB SER 38 -2.913 27.303 -4.485 277 HG SER 38 HG SER 38 -0.517 27.523 -3.187 278 H SER 39 H SER 39 -2.606 28.828 -6.807 279 HA SER 39 HA SER 39 -4.160 31.256 -7.065 280 HB2 SER 39 1HB SER 39 -4.446 28.715 -8.680 281 HB3 SER 39 2HB SER 39 -4.646 30.390 -9.231 282 HG SER 39 HG SER 39 -2.394 28.829 -8.992 283 HA PRO 40 HA PRO 40 -7.868 29.845 -5.285 284 HB2 PRO 40 1HB PRO 40 -9.951 30.379 -6.981 285 HB3 PRO 40 2HB PRO 40 -9.060 31.656 -6.092 286 HG2 PRO 40 1HG PRO 40 -8.636 30.694 -8.915 287 HG3 PRO 40 2HG PRO 40 -8.869 32.371 -8.318 288 HD2 PRO 40 1HD PRO 40 -6.406 31.415 -8.780 289 HD3 PRO 40 2HD PRO 40 -6.725 32.438 -7.335 290 H ASP 41 H ASP 41 -7.305 28.622 -8.596 291 HA ASP 41 HA ASP 41 -9.138 26.393 -8.221 292 HB2 ASP 41 1HB ASP 41 -8.434 25.611 -10.300 293 HB3 ASP 41 2HB ASP 41 -8.430 27.373 -10.460 294 H ASP 42 H ASP 42 -5.917 27.153 -7.316 295 HA ASP 42 HA ASP 42 -4.878 24.444 -7.243 296 HB2 ASP 42 1HB ASP 42 -3.873 27.136 -6.395 297 HB3 ASP 42 2HB ASP 42 -3.016 25.674 -5.948 298 H GLN 43 H GLN 43 -6.902 26.165 -5.205 299 HA GLN 43 HA GLN 43 -5.933 25.586 -2.630 300 HB2 GLN 43 1HB GLN 43 -8.779 25.771 -3.668 301 HB3 GLN 43 2HB GLN 43 -8.325 25.867 -1.976 302 HG2 GLN 43 1HG GLN 43 -7.569 27.815 -4.151 303 HG3 GLN 43 2HG GLN 43 -8.709 28.097 -2.837 304 HE21 GLN 43 1HE2 GLN 43 -4.929 29.107 -2.409 305 HE22 GLN 43 2HE2 GLN 43 -5.756 28.837 -3.922 306 H ILE 44 H ILE 44 -7.442 23.387 -4.890 307 HA ILE 44 HA ILE 44 -8.521 21.497 -3.094 308 HB ILE 44 HB ILE 44 -8.950 21.623 -5.526 309 HG12 ILE 44 1HG1 ILE 44 -7.943 18.854 -4.987 310 HG13 ILE 44 2HG1 ILE 44 -9.251 19.539 -4.018 311 HG21 ILE 44 1HG2 ILE 44 -6.768 22.074 -6.428 312 HG22 ILE 44 2HG2 ILE 44 -7.332 20.543 -7.109 313 HG23 ILE 44 3HG2 ILE 44 -6.135 20.529 -5.820 314 HD11 ILE 44 1HD1 ILE 44 -10.607 19.924 -6.037 315 HD12 ILE 44 2HD1 ILE 44 -10.134 18.217 -5.920 316 HD13 ILE 44 3HD1 ILE 44 -9.296 19.289 -7.053 317 H GLY 45 H GLY 45 -7.815 19.710 -2.012 318 HA2 GLY 45 1HA GLY 45 -5.311 18.440 -2.435 319 HA3 GLY 45 2HA GLY 45 -5.097 19.668 -1.180 320 H TYR 46 H TYR 46 -4.571 17.861 0.231 321 HA TYR 46 HA TYR 46 -6.993 16.958 1.629 322 HB2 TYR 46 1HB TYR 46 -6.496 14.607 1.503 323 HB3 TYR 46 2HB TYR 46 -6.563 15.220 -0.144 324 HD1 TYR 46 HD1 TYR 46 -4.485 13.819 2.498 325 HD2 TYR 46 HD2 TYR 46 -4.459 15.460 -1.477 326 HE1 TYR 46 HE1 TYR 46 -2.187 12.915 2.107 327 HE2 TYR 46 HE2 TYR 46 -2.164 14.550 -1.852 328 HH TYR 46 HH TYR 46 -0.394 12.777 0.679 329 H TYR 47 H TYR 47 -6.269 15.718 3.689 330 HA TYR 47 HA TYR 47 -3.563 16.730 4.529 331 HB2 TYR 47 1HB TYR 47 -5.980 16.090 6.219 332 HB3 TYR 47 2HB TYR 47 -4.388 16.416 6.853 333 HD1 TYR 47 HD1 TYR 47 -6.897 18.145 4.562 334 HD2 TYR 47 HD2 TYR 47 -3.947 18.518 7.684 335 HE1 TYR 47 HE1 TYR 47 -7.447 20.542 4.816 336 HE2 TYR 47 HE2 TYR 47 -4.527 20.922 7.915 337 HH TYR 47 HH TYR 47 -7.140 22.444 6.044 338 H ARG 48 H ARG 48 -2.135 15.300 5.349 339 HA ARG 48 HA ARG 48 -2.843 12.391 5.128 340 HB2 ARG 48 1HB ARG 48 -0.894 13.814 3.828 341 HB3 ARG 48 2HB ARG 48 0.001 13.355 5.268 342 HG2 ARG 48 1HG ARG 48 -1.287 11.488 3.259 343 HG3 ARG 48 2HG ARG 48 0.434 11.779 3.473 344 HD2 ARG 48 1HD ARG 48 0.342 10.745 5.702 345 HD3 ARG 48 2HD ARG 48 -1.408 10.505 5.522 346 HE ARG 48 HE ARG 48 0.040 9.317 3.339 347 HH11 ARG 48 1HH1 ARG 48 -0.849 8.736 6.711 348 HH12 ARG 48 2HH1 ARG 48 -0.823 7.000 6.505 349 HH21 ARG 48 1HH2 ARG 48 0.101 7.109 3.175 350 HH22 ARG 48 2HH2 ARG 48 -0.248 6.093 4.551 351 H ARG 49 H ARG 49 -3.025 11.343 7.060 352 HA ARG 49 HA ARG 49 -1.998 12.464 9.546 353 HB2 ARG 49 1HB ARG 49 -3.945 10.934 9.440 354 HB3 ARG 49 2HB ARG 49 -2.898 9.630 8.880 355 HG2 ARG 49 1HG ARG 49 -1.817 9.430 10.951 356 HG3 ARG 49 2HG ARG 49 -2.336 11.040 11.478 357 HD2 ARG 49 1HD ARG 49 -3.571 9.352 12.687 358 HD3 ARG 49 2HD ARG 49 -4.655 10.268 11.636 359 HE ARG 49 HE ARG 49 -3.894 7.960 10.208 360 HH11 ARG 49 1HH1 ARG 49 -5.646 8.701 13.169 361 HH12 ARG 49 2HH1 ARG 49 -6.728 7.349 12.987 362 HH21 ARG 49 1HH2 ARG 49 -5.297 6.168 10.072 363 HH22 ARG 49 2HH2 ARG 49 -6.507 5.955 11.308 364 H ALA 50 H ALA 50 -0.044 12.231 10.477 365 HA ALA 50 HA ALA 50 1.772 10.081 9.519 366 HB1 ALA 50 1HB ALA 50 2.248 12.079 8.124 367 HB2 ALA 50 2HB ALA 50 3.600 11.749 9.235 368 HB3 ALA 50 3HB ALA 50 2.451 13.061 9.596 369 H THR 51 H THR 51 3.283 9.411 11.006 370 HA THR 51 HA THR 51 3.870 10.945 13.419 371 HB THR 51 HB THR 51 1.824 9.704 14.184 372 HG1 THR 51 HG1 THR 51 2.975 9.691 15.952 373 HG21 THR 51 1HG2 THR 51 1.857 7.261 14.363 374 HG22 THR 51 2HG2 THR 51 3.419 7.193 13.524 375 HG23 THR 51 3HG2 THR 51 1.964 7.750 12.659 376 H ARG 52 H ARG 52 5.734 9.775 14.524 377 HA ARG 52 HA ARG 52 7.046 7.579 13.156 378 HB2 ARG 52 1HB ARG 52 7.370 9.860 11.737 379 HB3 ARG 52 2HB ARG 52 8.603 10.152 12.952 380 HG2 ARG 52 1HG ARG 52 9.703 9.163 11.089 381 HG3 ARG 52 2HG ARG 52 9.626 7.908 12.337 382 HD2 ARG 52 1HD ARG 52 9.071 6.993 10.105 383 HD3 ARG 52 2HD ARG 52 7.697 6.874 11.213 384 HE ARG 52 HE ARG 52 6.510 8.452 9.989 385 HH11 ARG 52 1HH1 ARG 52 9.767 8.160 8.619 386 HH12 ARG 52 2HH1 ARG 52 9.341 9.051 7.183 387 HH21 ARG 52 1HH2 ARG 52 6.055 9.568 8.122 388 HH22 ARG 52 2HH2 ARG 52 7.280 9.831 6.910 389 H ARG 53 H ARG 53 8.600 6.703 14.571 390 HA ARG 53 HA ARG 53 9.604 8.546 16.710 391 HB2 ARG 53 1HB ARG 53 8.071 6.811 17.606 392 HB3 ARG 53 2HB ARG 53 9.140 5.552 16.981 393 HG2 ARG 53 1HG ARG 53 10.669 7.429 18.551 394 HG3 ARG 53 2HG ARG 53 9.247 6.946 19.483 395 HD2 ARG 53 1HD ARG 53 11.079 4.936 18.132 396 HD3 ARG 53 2HD ARG 53 11.358 5.541 19.775 397 HE ARG 53 HE ARG 53 8.677 4.619 19.601 398 HH11 ARG 53 1HH1 ARG 53 11.950 3.293 19.662 399 HH12 ARG 53 2HH1 ARG 53 11.427 1.786 20.361 400 HH21 ARG 53 1HH2 ARG 53 8.086 2.665 20.495 401 HH22 ARG 53 2HH2 ARG 53 9.281 1.440 20.823 402 H ILE 54 H ILE 54 11.665 8.729 16.834 403 HA ILE 54 HA ILE 54 13.422 6.877 15.339 404 HB ILE 54 HB ILE 54 14.420 8.577 14.022 405 HG12 ILE 54 1HG1 ILE 54 14.822 10.300 15.653 406 HG13 ILE 54 2HG1 ILE 54 14.070 10.992 14.236 407 HG21 ILE 54 1HG2 ILE 54 12.672 9.719 12.731 408 HG22 ILE 54 2HG2 ILE 54 11.494 9.457 14.029 409 HG23 ILE 54 3HG2 ILE 54 12.160 8.062 13.138 410 HD11 ILE 54 1HD1 ILE 54 13.192 12.040 16.170 411 HD12 ILE 54 2HD1 ILE 54 12.782 10.480 16.897 412 HD13 ILE 54 3HD1 ILE 54 11.914 11.037 15.455 413 H ARG 55 H ARG 55 15.784 7.729 15.775 414 HA ARG 55 HA ARG 55 16.006 8.924 18.514 415 HB2 ARG 55 1HB ARG 55 16.572 6.481 18.557 416 HB3 ARG 55 2HB ARG 55 17.787 6.753 17.308 417 HG2 ARG 55 1HG ARG 55 18.153 8.528 19.641 418 HG3 ARG 55 2HG ARG 55 18.197 6.808 20.067 419 HD2 ARG 55 1HD ARG 55 19.838 6.499 18.129 420 HD3 ARG 55 2HD ARG 55 19.957 8.263 18.057 421 HE ARG 55 HE ARG 55 20.903 6.478 20.242 422 HH11 ARG 55 1HH1 ARG 55 20.729 9.780 18.982 423 HH12 ARG 55 2HH1 ARG 55 22.005 10.340 20.036 424 HH21 ARG 55 1HH2 ARG 55 22.492 7.284 21.568 425 HH22 ARG 55 2HH2 ARG 55 22.954 8.963 21.478 426 H GLY 56 H GLY 56 16.427 11.010 17.793 427 HA2 GLY 56 1HA GLY 56 18.034 11.512 15.439 428 HA3 GLY 56 2HA GLY 56 17.552 12.703 16.673 429 H GLY 57 H GLY 57 20.184 12.679 15.533 430 HA2 GLY 57 1HA GLY 57 22.040 11.120 16.968 431 HA3 GLY 57 2HA GLY 57 22.391 12.677 16.205 432 H ASP 58 H ASP 58 20.690 14.326 17.791 433 HA ASP 58 HA ASP 58 22.332 14.420 20.233 434 HB2 ASP 58 1HB ASP 58 21.834 16.385 18.673 435 HB3 ASP 58 2HB ASP 58 20.206 16.383 19.358 436 H GLY 59 H GLY 59 19.893 12.566 19.605 437 HA2 GLY 59 1HA GLY 59 18.800 11.245 21.187 438 HA3 GLY 59 2HA GLY 59 19.082 12.487 22.417 439 H LYS 60 H LYS 60 17.829 13.789 19.570 440 HA LYS 60 HA LYS 60 15.395 14.464 20.968 441 HB2 LYS 60 1HB LYS 60 16.115 15.102 18.096 442 HB3 LYS 60 2HB LYS 60 14.985 15.962 19.151 443 HG2 LYS 60 1HG LYS 60 18.015 15.967 19.177 444 HG3 LYS 60 2HG LYS 60 16.919 17.339 19.021 445 HD2 LYS 60 1HD LYS 60 16.244 16.981 21.450 446 HD3 LYS 60 2HD LYS 60 17.497 15.710 21.538 447 HE2 LYS 60 1HE LYS 60 18.976 17.640 20.479 448 HE3 LYS 60 2HE LYS 60 17.813 18.671 21.327 449 HZ1 LYS 60 1HZ LYS 60 19.836 18.066 22.611 450 HZ2 LYS 60 2HZ LYS 60 19.374 16.486 22.605 451 HZ3 LYS 60 3HZ LYS 60 18.442 17.613 23.385 452 H MET 61 H MET 61 13.399 13.851 20.536 453 HA MET 61 HA MET 61 13.063 11.539 18.687 454 HB2 MET 61 1HB MET 61 11.682 12.133 21.315 455 HB3 MET 61 2HB MET 61 11.277 10.814 20.216 456 HG2 MET 61 1HG MET 61 13.617 9.964 20.428 457 HG3 MET 61 2HG MET 61 13.894 11.187 21.684 458 HE1 MET 61 1HE MET 61 10.719 8.887 20.829 459 HE2 MET 61 2HE MET 61 10.997 7.576 22.002 460 HE3 MET 61 3HE MET 61 12.153 7.840 20.672 461 H LYS 62 H LYS 62 10.252 11.370 18.725 462 HA LYS 62 HA LYS 62 9.259 13.958 17.749 463 HB2 LYS 62 1HB LYS 62 9.698 11.391 16.219 464 HB3 LYS 62 2HB LYS 62 8.346 12.411 15.842 465 HG2 LYS 62 1HG LYS 62 11.230 13.259 15.745 466 HG3 LYS 62 2HG LYS 62 10.270 12.757 14.348 467 HD2 LYS 62 1HD LYS 62 8.744 14.654 14.758 468 HD3 LYS 62 2HD LYS 62 9.788 15.164 16.109 469 HE2 LYS 62 1HE LYS 62 11.724 15.208 14.536 470 HE3 LYS 62 2HE LYS 62 10.611 14.864 13.200 471 HZ1 LYS 62 1HZ LYS 62 11.041 17.254 13.437 472 HZ2 LYS 62 2HZ LYS 62 10.481 17.246 14.988 473 HZ3 LYS 62 3HZ LYS 62 9.448 16.945 13.738 474 H ASP 63 H ASP 63 8.319 10.577 17.398 475 HA ASP 63 HA ASP 63 6.192 9.665 17.690 476 HB2 ASP 63 1HB ASP 63 5.954 9.058 20.110 477 HB3 ASP 63 2HB ASP 63 7.450 8.630 19.291 478 H LEU 64 H LEU 64 5.241 10.618 20.545 479 HA LEU 64 HA LEU 64 3.383 11.658 21.356 480 HB2 LEU 64 1HB LEU 64 4.822 13.592 19.806 481 HB3 LEU 64 2HB LEU 64 3.120 13.918 19.598 482 HG LEU 64 HG LEU 64 4.076 15.262 21.379 483 HD11 LEU 64 1HD1 LEU 64 2.511 14.769 23.199 484 HD12 LEU 64 2HD1 LEU 64 2.219 13.144 22.542 485 HD13 LEU 64 3HD1 LEU 64 1.716 14.588 21.625 486 HD21 LEU 64 1HD2 LEU 64 4.998 14.341 23.414 487 HD22 LEU 64 2HD2 LEU 64 5.886 13.664 22.031 488 HD23 LEU 64 3HD2 LEU 64 4.673 12.679 22.876 489 H SER 65 H SER 65 1.315 13.111 20.307 490 HA SER 65 HA SER 65 -0.377 11.102 19.241 491 HB2 SER 65 1HB SER 65 -0.696 14.125 19.090 492 HB3 SER 65 2HB SER 65 -1.991 12.915 19.000 493 HG SER 65 HG SER 65 -1.882 13.730 21.078 494 HA PRO 66 HA PRO 66 0.541 11.415 14.972 495 HB2 PRO 66 1HB PRO 66 -1.869 11.087 13.705 496 HB3 PRO 66 2HB PRO 66 -1.007 9.735 14.509 497 HG2 PRO 66 1HG PRO 66 -3.221 11.474 15.592 498 HG3 PRO 66 2HG PRO 66 -3.110 9.682 15.557 499 HD2 PRO 66 1HD PRO 66 -2.447 11.058 17.764 500 HD3 PRO 66 2HD PRO 66 -1.462 9.644 17.243 501 H ARG 67 H ARG 67 0.627 12.918 13.318 502 HA ARG 67 HA ARG 67 -0.873 15.459 13.840 503 HB2 ARG 67 1HB ARG 67 1.850 15.244 12.531 504 HB3 ARG 67 2HB ARG 67 1.072 16.672 13.220 505 HG2 ARG 67 1HG ARG 67 1.210 15.419 15.474 506 HG3 ARG 67 2HG ARG 67 2.324 14.326 14.631 507 HD2 ARG 67 1HD ARG 67 3.767 15.827 15.604 508 HD3 ARG 67 2HD ARG 67 3.585 16.493 13.970 509 HE ARG 67 HE ARG 67 1.626 17.704 15.627 510 HH11 ARG 67 1HH1 ARG 67 5.155 17.708 15.360 511 HH12 ARG 67 2HH1 ARG 67 5.275 19.326 16.039 512 HH21 ARG 67 1HH2 ARG 67 1.917 19.716 16.542 513 HH22 ARG 67 2HH2 ARG 67 3.534 20.394 16.690 514 H TRP 68 H TRP 68 -1.299 16.742 11.875 515 HA TRP 68 HA TRP 68 -1.496 14.957 9.469 516 HB2 TRP 68 1HB TRP 68 -3.428 17.030 10.517 517 HB3 TRP 68 2HB TRP 68 -3.525 16.331 8.901 518 HD1 TRP 68 HD1 TRP 68 -3.697 15.170 12.603 519 HE1 TRP 68 HE1 TRP 68 -5.218 13.139 12.795 520 HE3 TRP 68 HE3 TRP 68 -4.566 14.453 7.617 521 HZ2 TRP 68 HZ2 TRP 68 -6.657 11.441 11.023 522 HZ3 TRP 68 HZ3 TRP 68 -6.081 12.598 6.914 523 HH2 TRP 68 HH2 TRP 68 -7.130 11.114 8.626 524 H TYR 69 H TYR 69 -0.615 15.655 7.660 525 HA TYR 69 HA TYR 69 0.416 18.483 7.582 526 HB2 TYR 69 1HB TYR 69 1.324 15.902 6.237 527 HB3 TYR 69 2HB TYR 69 1.969 17.494 5.841 528 HD1 TYR 69 HD1 TYR 69 3.911 18.245 6.921 529 HD2 TYR 69 HD2 TYR 69 1.538 15.208 8.874 530 HE1 TYR 69 HE1 TYR 69 5.663 17.978 8.678 531 HE2 TYR 69 HE2 TYR 69 3.292 14.974 10.613 532 HH TYR 69 HH TYR 69 5.298 15.671 11.386 533 H PHE 70 H PHE 70 -0.140 19.704 5.680 534 HA PHE 70 HA PHE 70 -2.409 18.553 4.157 535 HB2 PHE 70 1HB PHE 70 -2.783 20.765 5.109 536 HB3 PHE 70 2HB PHE 70 -1.318 21.379 4.332 537 HD1 PHE 70 HD1 PHE 70 -4.672 19.884 3.557 538 HD2 PHE 70 HD2 PHE 70 -1.399 22.285 2.143 539 HE1 PHE 70 HE1 PHE 70 -5.978 20.459 1.515 540 HE2 PHE 70 HE2 PHE 70 -2.708 22.889 0.115 541 HZ PHE 70 HZ PHE 70 -5.003 21.975 -0.208 542 H TYR 71 H TYR 71 -2.339 18.143 2.019 543 HA TYR 71 HA TYR 71 0.150 18.850 0.551 544 HB2 TYR 71 1HB TYR 71 -0.795 16.210 1.454 545 HB3 TYR 71 2HB TYR 71 -0.339 16.287 -0.267 546 HD1 TYR 71 HD1 TYR 71 0.857 16.331 3.205 547 HD2 TYR 71 HD2 TYR 71 2.015 16.952 -0.889 548 HE1 TYR 71 HE1 TYR 71 3.260 16.179 3.855 549 HE2 TYR 71 HE2 TYR 71 4.414 16.812 -0.234 550 HH TYR 71 HH TYR 71 5.902 16.406 1.429 551 H TYR 72 H TYR 72 -0.132 18.982 -1.650 552 HA TYR 72 HA TYR 72 -2.847 19.694 -2.422 553 HB2 TYR 72 1HB TYR 72 -0.178 19.834 -3.864 554 HB3 TYR 72 2HB TYR 72 -1.707 20.435 -4.515 555 HD1 TYR 72 HD1 TYR 72 -2.709 22.509 -3.721 556 HD2 TYR 72 HD2 TYR 72 0.840 20.946 -1.835 557 HE1 TYR 72 HE1 TYR 72 -2.398 24.655 -2.496 558 HE2 TYR 72 HE2 TYR 72 1.107 23.085 -0.589 559 HH TYR 72 HH TYR 72 -0.935 25.898 -1.168 560 H LEU 73 H LEU 73 -3.807 19.004 -4.461 561 HA LEU 73 HA LEU 73 -4.150 16.221 -4.581 562 HB2 LEU 73 1HB LEU 73 -5.252 18.443 -5.784 563 HB3 LEU 73 2HB LEU 73 -4.469 17.660 -7.143 564 HG LEU 73 HG LEU 73 -6.692 16.570 -5.402 565 HD11 LEU 73 1HD1 LEU 73 -7.965 16.659 -7.435 566 HD12 LEU 73 2HD1 LEU 73 -6.520 17.031 -8.397 567 HD13 LEU 73 3HD1 LEU 73 -7.158 18.222 -7.247 568 HD21 LEU 73 1HD2 LEU 73 -6.690 14.591 -6.958 569 HD22 LEU 73 2HD2 LEU 73 -5.321 14.636 -5.843 570 HD23 LEU 73 3HD2 LEU 73 -5.097 15.111 -7.546 571 H GLY 74 H GLY 74 -3.082 14.551 -5.494 572 HA2 GLY 74 1HA GLY 74 -1.716 13.389 -6.929 573 HA3 GLY 74 2HA GLY 74 -1.619 14.833 -7.938 574 H THR 75 H THR 75 -0.526 14.710 -4.530 575 HA THR 75 HA THR 75 2.200 15.310 -5.537 576 HB THR 75 HB THR 75 2.606 15.714 -3.000 577 HG1 THR 75 HG1 THR 75 -0.207 16.097 -2.972 578 HG21 THR 75 1HG2 THR 75 1.468 17.961 -3.084 579 HG22 THR 75 2HG2 THR 75 0.754 17.472 -4.640 580 HG23 THR 75 3HG2 THR 75 2.524 17.594 -4.461 581 H GLY 76 H GLY 76 3.994 14.131 -4.958 582 HA2 GLY 76 1HA GLY 76 5.110 12.433 -3.717 583 HA3 GLY 76 2HA GLY 76 3.565 11.671 -3.325 584 HA PRO 77 HA PRO 77 5.687 10.182 -7.370 585 HB2 PRO 77 1HB PRO 77 7.218 8.034 -6.615 586 HB3 PRO 77 2HB PRO 77 7.813 9.720 -6.620 587 HG2 PRO 77 1HG PRO 77 6.732 8.130 -4.306 588 HG3 PRO 77 2HG PRO 77 8.248 9.079 -4.411 589 HD2 PRO 77 1HD PRO 77 6.021 10.102 -3.286 590 HD3 PRO 77 2HD PRO 77 7.113 11.122 -4.284 591 H GLU 78 H GLU 78 4.835 7.797 -4.811 592 HA GLU 78 HA GLU 78 3.203 6.350 -6.869 593 HB2 GLU 78 1HB GLU 78 3.641 4.288 -5.565 594 HB3 GLU 78 2HB GLU 78 5.110 4.986 -6.255 595 HG2 GLU 78 1HG GLU 78 5.729 5.942 -4.113 596 HG3 GLU 78 2HG GLU 78 4.226 5.369 -3.385 597 H ALA 79 H ALA 79 2.414 8.604 -5.260 598 HA ALA 79 HA ALA 79 1.049 7.895 -2.888 599 HB1 ALA 79 1HB ALA 79 1.426 10.217 -3.558 600 HB2 ALA 79 2HB ALA 79 -0.314 9.940 -3.335 601 HB3 ALA 79 3HB ALA 79 0.374 10.021 -4.975 602 H GLY 80 H GLY 80 0.018 7.764 -6.296 603 HA2 GLY 80 1HA GLY 80 -1.747 6.676 -7.302 604 HA3 GLY 80 2HA GLY 80 -1.653 5.536 -5.949 605 H LEU 81 H LEU 81 -2.530 9.028 -5.876 606 HA LEU 81 HA LEU 81 -5.181 8.184 -4.877 607 HB2 LEU 81 1HB LEU 81 -3.105 10.068 -3.815 608 HB3 LEU 81 2HB LEU 81 -4.786 10.434 -3.576 609 HG LEU 81 HG LEU 81 -3.376 7.973 -2.557 610 HD11 LEU 81 1HD1 LEU 81 -2.735 10.047 -1.415 611 HD12 LEU 81 2HD1 LEU 81 -3.745 9.050 -0.353 612 HD13 LEU 81 3HD1 LEU 81 -4.447 10.462 -1.169 613 HD21 LEU 81 1HD2 LEU 81 -5.707 7.422 -3.045 614 HD22 LEU 81 2HD2 LEU 81 -6.259 8.883 -2.199 615 HD23 LEU 81 3HD2 LEU 81 -5.492 7.581 -1.289 616 HA PRO 82 HA PRO 82 -6.454 11.388 -7.828 617 HB2 PRO 82 1HB PRO 82 -8.822 10.196 -8.444 618 HB3 PRO 82 2HB PRO 82 -7.287 9.652 -9.197 619 HG2 PRO 82 1HG PRO 82 -8.814 8.463 -6.905 620 HG3 PRO 82 2HG PRO 82 -8.009 7.647 -8.267 621 HD2 PRO 82 1HD PRO 82 -6.944 7.872 -5.787 622 HD3 PRO 82 2HD PRO 82 -5.986 7.661 -7.270 623 H TYR 83 H TYR 83 -8.376 12.853 -7.440 624 HA TYR 83 HA TYR 83 -8.714 13.331 -4.663 625 HB2 TYR 83 1HB TYR 83 -8.995 15.017 -6.472 626 HB3 TYR 83 2HB TYR 83 -10.505 14.229 -6.935 627 HD1 TYR 83 HD1 TYR 83 -12.518 14.447 -5.507 628 HD2 TYR 83 HD2 TYR 83 -8.801 16.292 -4.375 629 HE1 TYR 83 HE1 TYR 83 -13.701 15.784 -3.763 630 HE2 TYR 83 HE2 TYR 83 -9.988 17.620 -2.639 631 HH TYR 83 HH TYR 83 -13.493 17.270 -2.049 632 H GLY 84 H GLY 84 -10.110 12.619 -3.180 633 HA2 GLY 84 1HA GLY 84 -12.164 11.818 -2.392 634 HA3 GLY 84 2HA GLY 84 -12.627 11.353 -4.029 635 H ALA 85 H ALA 85 -9.614 10.026 -3.862 636 HA ALA 85 HA ALA 85 -10.699 7.403 -3.439 637 HB1 ALA 85 1HB ALA 85 -8.842 7.516 -4.834 638 HB2 ALA 85 2HB ALA 85 -8.234 6.754 -3.350 639 HB3 ALA 85 3HB ALA 85 -7.896 8.474 -3.675 640 H ASN 86 H ASN 86 -10.958 6.196 -1.713 641 HA ASN 86 HA ASN 86 -10.498 7.371 0.916 642 HB2 ASN 86 1HB ASN 86 -12.526 5.997 0.216 643 HB3 ASN 86 2HB ASN 86 -11.473 4.574 0.218 644 HD21 ASN 86 1HD2 ASN 86 -12.984 4.442 3.484 645 HD22 ASN 86 2HD2 ASN 86 -13.331 4.078 1.810 646 H LYS 87 H LYS 87 -8.802 6.998 2.242 647 HA LYS 87 HA LYS 87 -7.205 4.548 2.026 648 HB2 LYS 87 1HB LYS 87 -6.308 5.995 0.229 649 HB3 LYS 87 2HB LYS 87 -6.030 7.269 1.376 650 HG2 LYS 87 1HG LYS 87 -4.226 6.159 2.419 651 HG3 LYS 87 2HG LYS 87 -4.703 4.573 1.759 652 HD2 LYS 87 1HD LYS 87 -3.667 6.888 0.092 653 HD3 LYS 87 2HD LYS 87 -2.650 5.581 0.700 654 HE2 LYS 87 1HE LYS 87 -3.988 3.926 -0.594 655 HE3 LYS 87 2HE LYS 87 -5.016 5.229 -1.208 656 HZ1 LYS 87 1HZ LYS 87 -2.115 4.916 -1.779 657 HZ2 LYS 87 2HZ LYS 87 -3.032 6.178 -2.299 658 HZ3 LYS 87 3HZ LYS 87 -3.350 4.657 -2.839 659 H ASP 88 H ASP 88 -5.797 4.367 3.872 660 HA ASP 88 HA ASP 88 -6.934 5.340 6.282 661 HB2 ASP 88 1HB ASP 88 -5.622 3.307 6.282 662 HB3 ASP 88 2HB ASP 88 -4.207 4.166 5.651 663 H GLY 89 H GLY 89 -6.798 7.207 7.309 664 HA2 GLY 89 1HA GLY 89 -5.927 9.178 8.098 665 HA3 GLY 89 2HA GLY 89 -4.331 8.617 7.580 666 H ILE 90 H ILE 90 -7.043 8.999 5.318 667 HA ILE 90 HA ILE 90 -5.724 11.466 4.268 668 HB ILE 90 HB ILE 90 -6.964 9.205 2.597 669 HG12 ILE 90 1HG1 ILE 90 -4.753 8.600 3.483 670 HG13 ILE 90 2HG1 ILE 90 -4.742 8.804 1.739 671 HG21 ILE 90 1HG2 ILE 90 -6.048 10.587 0.652 672 HG22 ILE 90 2HG2 ILE 90 -5.767 11.912 1.809 673 HG23 ILE 90 3HG2 ILE 90 -7.415 11.321 1.506 674 HD11 ILE 90 1HD1 ILE 90 -2.770 9.665 2.963 675 HD12 ILE 90 2HD1 ILE 90 -3.812 10.973 3.588 676 HD13 ILE 90 3HD1 ILE 90 -3.549 10.797 1.838 677 H ILE 91 H ILE 91 -6.999 13.134 4.115 678 HA ILE 91 HA ILE 91 -9.926 12.669 3.715 679 HB ILE 91 HB ILE 91 -10.383 14.680 5.180 680 HG12 ILE 91 1HG1 ILE 91 -7.991 14.311 6.831 681 HG13 ILE 91 2HG1 ILE 91 -7.585 14.892 5.239 682 HG21 ILE 91 1HG2 ILE 91 -10.399 13.431 7.271 683 HG22 ILE 91 2HG2 ILE 91 -9.165 12.303 6.656 684 HG23 ILE 91 3HG2 ILE 91 -10.789 12.326 5.934 685 HD11 ILE 91 1HD1 ILE 91 -7.971 16.736 6.811 686 HD12 ILE 91 2HD1 ILE 91 -9.650 16.194 7.023 687 HD13 ILE 91 3HD1 ILE 91 -9.083 16.771 5.432 688 H TRP 92 H TRP 92 -10.518 13.548 1.865 689 HA TRP 92 HA TRP 92 -8.826 15.557 0.590 690 HB2 TRP 92 1HB TRP 92 -11.416 14.220 -0.247 691 HB3 TRP 92 2HB TRP 92 -10.462 15.313 -1.256 692 HD1 TRP 92 HD1 TRP 92 -10.514 11.764 0.053 693 HE1 TRP 92 HE1 TRP 92 -8.695 10.367 -1.024 694 HE3 TRP 92 HE3 TRP 92 -8.023 15.578 -2.289 695 HZ2 TRP 92 HZ2 TRP 92 -6.467 10.847 -2.689 696 HZ3 TRP 92 HZ3 TRP 92 -5.987 15.019 -3.625 697 HH2 TRP 92 HH2 TRP 92 -5.218 12.648 -3.831 698 H VAL 93 H VAL 93 -9.216 17.655 0.229 699 HA VAL 93 HA VAL 93 -11.858 18.771 1.018 700 HB VAL 93 HB VAL 93 -10.649 20.717 2.106 701 HG11 VAL 93 1HG1 VAL 93 -10.286 19.604 4.256 702 HG12 VAL 93 2HG1 VAL 93 -10.207 18.019 3.455 703 HG13 VAL 93 3HG1 VAL 93 -11.727 18.946 3.457 704 HG21 VAL 93 1HG2 VAL 93 -8.247 18.835 2.179 705 HG22 VAL 93 2HG2 VAL 93 -8.355 20.470 2.862 706 HG23 VAL 93 3HG2 VAL 93 -8.382 20.246 1.103 707 H ALA 94 H ALA 94 -12.352 20.730 -0.042 708 HA ALA 94 HA ALA 94 -10.535 21.899 -1.994 709 HB1 ALA 94 1HB ALA 94 -13.040 20.415 -2.962 710 HB2 ALA 94 2HB ALA 94 -11.373 19.878 -3.264 711 HB3 ALA 94 3HB ALA 94 -11.952 21.406 -3.962 712 H THR 95 H THR 95 -11.804 23.763 -2.986 713 HA THR 95 HA THR 95 -14.120 24.562 -1.281 714 HB THR 95 HB THR 95 -11.996 25.816 -0.648 715 HG1 THR 95 HG1 THR 95 -13.052 27.902 -0.934 716 HG21 THR 95 1HG2 THR 95 -12.274 27.067 -3.411 717 HG22 THR 95 2HG2 THR 95 -11.016 25.891 -2.966 718 HG23 THR 95 3HG2 THR 95 -11.082 27.467 -2.158 719 H GLU 96 H GLU 96 -15.215 26.521 -2.627 720 HA GLU 96 HA GLU 96 -16.029 25.300 -5.096 721 HB2 GLU 96 1HB GLU 96 -17.424 26.759 -3.609 722 HB3 GLU 96 2HB GLU 96 -16.483 28.153 -4.160 723 HG2 GLU 96 1HG GLU 96 -17.246 27.827 -6.441 724 HG3 GLU 96 2HG GLU 96 -18.033 26.303 -5.999 725 H GLY 97 H GLY 97 -15.349 25.630 -7.144 726 HA2 GLY 97 1HA GLY 97 -14.355 26.800 -8.923 727 HA3 GLY 97 2HA GLY 97 -13.621 27.929 -7.780 728 H ALA 98 H ALA 98 -12.900 25.112 -6.369 729 HA ALA 98 HA ALA 98 -10.193 25.129 -7.346 730 HB1 ALA 98 1HB ALA 98 -9.799 23.445 -5.734 731 HB2 ALA 98 2HB ALA 98 -11.527 23.014 -5.658 732 HB3 ALA 98 3HB ALA 98 -10.960 24.575 -5.018 733 H LEU 99 H LEU 99 -9.218 23.887 -8.916 734 HA LEU 99 HA LEU 99 -11.026 22.236 -10.562 735 HB2 LEU 99 1HB LEU 99 -8.214 23.255 -10.885 736 HB3 LEU 99 2HB LEU 99 -8.835 21.991 -11.923 737 HG LEU 99 HG LEU 99 -9.974 24.795 -11.736 738 HD11 LEU 99 1HD1 LEU 99 -8.978 24.994 -13.999 739 HD12 LEU 99 2HD1 LEU 99 -8.289 23.358 -13.832 740 HD13 LEU 99 3HD1 LEU 99 -7.745 24.677 -12.763 741 HD21 LEU 99 1HD2 LEU 99 -10.682 22.428 -13.529 742 HD22 LEU 99 2HD2 LEU 99 -11.234 24.100 -13.788 743 HD23 LEU 99 3HD2 LEU 99 -11.742 23.224 -12.335 744 H ASN 100 H ASN 100 -10.923 20.150 -10.932 745 HA ASN 100 HA ASN 100 -9.388 18.505 -9.046 746 HB2 ASN 100 1HB ASN 100 -11.775 18.030 -9.582 747 HB3 ASN 100 2HB ASN 100 -11.310 17.691 -11.256 748 HD21 ASN 100 1HD2 ASN 100 -11.123 14.347 -10.293 749 HD22 ASN 100 2HD2 ASN 100 -11.932 15.565 -11.246 750 H THR 101 H THR 101 -7.303 19.306 -10.025 751 HA THR 101 HA THR 101 -6.447 17.295 -12.025 752 HB THR 101 HB THR 101 -7.033 19.578 -13.166 753 HG1 THR 101 HG1 THR 101 -5.216 19.343 -14.526 754 HG21 THR 101 1HG2 THR 101 -5.342 21.278 -13.113 755 HG22 THR 101 2HG2 THR 101 -4.305 20.279 -12.067 756 HG23 THR 101 3HG2 THR 101 -5.830 20.957 -11.435 757 HA PRO 102 HA PRO 102 -3.117 17.084 -9.135 758 HB2 PRO 102 1HB PRO 102 -1.161 16.881 -11.388 759 HB3 PRO 102 2HB PRO 102 -1.494 15.706 -10.079 760 HG2 PRO 102 1HG PRO 102 -2.234 15.260 -12.551 761 HG3 PRO 102 2HG PRO 102 -3.295 14.840 -11.175 762 HD2 PRO 102 1HD PRO 102 -3.445 17.208 -13.023 763 HD3 PRO 102 2HD PRO 102 -4.755 16.112 -12.465 764 H LYS 103 H LYS 103 -1.422 18.291 -8.200 765 HA LYS 103 HA LYS 103 -0.129 20.358 -9.825 766 HB2 LYS 103 1HB LYS 103 -0.736 22.166 -8.126 767 HB3 LYS 103 2HB LYS 103 -1.896 21.716 -9.348 768 HG2 LYS 103 1HG LYS 103 -2.847 20.126 -7.410 769 HG3 LYS 103 2HG LYS 103 -1.996 21.275 -6.387 770 HD2 LYS 103 1HD LYS 103 -4.245 22.060 -6.616 771 HD3 LYS 103 2HD LYS 103 -3.191 23.114 -7.551 772 HE2 LYS 103 1HE LYS 103 -3.857 21.493 -9.570 773 HE3 LYS 103 2HE LYS 103 -5.240 21.120 -8.539 774 HZ1 LYS 103 1HZ LYS 103 -5.905 23.405 -8.616 775 HZ2 LYS 103 2HZ LYS 103 -5.581 22.975 -10.171 776 HZ3 LYS 103 3HZ LYS 103 -4.499 23.891 -9.333 777 H ASP 104 H ASP 104 1.074 18.223 -8.950 778 HA ASP 104 HA ASP 104 2.310 18.362 -6.390 779 HB2 ASP 104 1HB ASP 104 2.523 16.464 -8.009 780 HB3 ASP 104 2HB ASP 104 3.582 17.476 -8.999 781 H HIS 105 H HIS 105 2.752 20.254 -9.277 782 HA HIS 105 HA HIS 105 5.312 21.325 -8.867 783 HB2 HIS 105 1HB HIS 105 4.764 22.939 -10.463 784 HB3 HIS 105 2HB HIS 105 3.716 21.582 -10.881 785 HD1 HIS 105 HD1 HIS 105 3.672 25.108 -9.452 786 HD2 HIS 105 HD2 HIS 105 0.932 22.138 -10.577 787 HE1 HIS 105 HE1 HIS 105 1.359 26.197 -9.496 788 H ILE 106 H ILE 106 2.581 21.845 -6.853 789 HA ILE 106 HA ILE 106 3.581 24.484 -5.936 790 HB ILE 106 HB ILE 106 1.214 22.817 -4.915 791 HG12 ILE 106 1HG1 ILE 106 1.241 25.203 -6.802 792 HG13 ILE 106 2HG1 ILE 106 1.002 23.525 -7.292 793 HG21 ILE 106 1HG2 ILE 106 0.522 24.996 -3.849 794 HG22 ILE 106 2HG2 ILE 106 2.007 25.765 -4.449 795 HG23 ILE 106 3HG2 ILE 106 2.090 24.466 -3.241 796 HD11 ILE 106 1HD1 ILE 106 -1.121 24.467 -7.187 797 HD12 ILE 106 2HD1 ILE 106 -0.812 25.229 -5.616 798 HD13 ILE 106 3HD1 ILE 106 -0.978 23.459 -5.733 799 H GLY 107 H GLY 107 3.123 21.128 -4.788 800 HA2 GLY 107 1HA GLY 107 4.014 21.652 -2.124 801 HA3 GLY 107 2HA GLY 107 3.788 20.075 -2.870 802 H THR 108 H THR 108 6.041 22.151 -4.479 803 HA THR 108 HA THR 108 8.182 20.220 -3.992 804 HB THR 108 HB THR 108 9.340 21.491 -5.693 805 HG1 THR 108 HG1 THR 108 8.440 23.539 -6.328 806 HG21 THR 108 1HG2 THR 108 7.724 21.515 -7.434 807 HG22 THR 108 2HG2 THR 108 6.412 21.806 -6.268 808 HG23 THR 108 3HG2 THR 108 7.226 20.226 -6.309 809 H ARG 109 H ARG 109 7.083 22.654 -2.246 810 HA ARG 109 HA ARG 109 9.095 24.464 -1.599 811 HB2 ARG 109 1HB ARG 109 6.853 24.368 -0.458 812 HB3 ARG 109 2HB ARG 109 7.440 22.992 0.486 813 HG2 ARG 109 1HG ARG 109 9.338 24.516 1.302 814 HG3 ARG 109 2HG ARG 109 8.468 25.857 0.550 815 HD2 ARG 109 1HD ARG 109 7.932 25.802 2.900 816 HD3 ARG 109 2HD ARG 109 6.506 25.318 1.985 817 HE ARG 109 HE ARG 109 6.612 23.191 2.895 818 HH11 ARG 109 1HH1 ARG 109 9.609 24.887 3.779 819 HH12 ARG 109 2HH1 ARG 109 10.023 23.672 4.948 820 HH21 ARG 109 1HH2 ARG 109 7.211 21.747 4.393 821 HH22 ARG 109 2HH2 ARG 109 8.717 21.911 5.275 822 H ASN 110 H ASN 110 11.160 24.303 -1.053 823 HA ASN 110 HA ASN 110 12.190 21.700 -0.099 824 HB2 ASN 110 1HB ASN 110 13.553 24.323 -0.799 825 HB3 ASN 110 2HB ASN 110 14.410 22.844 -0.375 826 HD21 ASN 110 1HD2 ASN 110 13.488 21.243 -3.481 827 HD22 ASN 110 2HD2 ASN 110 13.574 20.887 -1.776 828 HA PRO 111 HA PRO 111 11.893 23.498 3.967 829 HB2 PRO 111 1HB PRO 111 13.132 21.585 5.458 830 HB3 PRO 111 2HB PRO 111 11.487 21.354 4.780 831 HG2 PRO 111 1HG PRO 111 14.132 20.422 3.667 832 HG3 PRO 111 2HG PRO 111 12.627 19.484 3.927 833 HD2 PRO 111 1HD PRO 111 13.247 20.493 1.513 834 HD3 PRO 111 2HD PRO 111 11.550 20.462 2.105 835 H ALA 112 H ALA 112 14.825 22.575 2.350 836 HA ALA 112 HA ALA 112 16.655 23.778 4.240 837 HB1 ALA 112 1HB ALA 112 17.362 21.981 2.700 838 HB2 ALA 112 2HB ALA 112 18.294 23.466 2.394 839 HB3 ALA 112 3HB ALA 112 16.970 23.010 1.295 840 H ASN 113 H ASN 113 14.708 24.920 1.549 841 HA ASN 113 HA ASN 113 16.290 27.432 1.407 842 HB2 ASN 113 1HB ASN 113 14.130 26.331 -0.423 843 HB3 ASN 113 2HB ASN 113 15.000 27.844 -0.661 844 HD21 ASN 113 1HD2 ASN 113 16.520 24.831 -2.491 845 HD22 ASN 113 2HD2 ASN 113 14.844 25.248 -2.233 846 H ASN 114 H ASN 114 13.172 26.209 2.471 847 HA ASN 114 HA ASN 114 12.478 28.932 3.374 848 HB2 ASN 114 1HB ASN 114 11.478 28.940 1.202 849 HB3 ASN 114 2HB ASN 114 10.779 27.324 1.451 850 HD21 ASN 114 1HD2 ASN 114 7.938 28.511 2.979 851 HD22 ASN 114 2HD2 ASN 114 8.776 27.290 2.051 852 H ALA 115 H ALA 115 10.990 29.040 5.029 853 HA ALA 115 HA ALA 115 10.678 26.536 6.556 854 HB1 ALA 115 1HB ALA 115 9.927 28.043 8.366 855 HB2 ALA 115 2HB ALA 115 9.968 29.421 7.243 856 HB3 ALA 115 3HB ALA 115 11.479 28.586 7.685 857 H ALA 116 H ALA 116 8.708 25.694 7.237 858 HA ALA 116 HA ALA 116 6.487 25.964 5.437 859 HB1 ALA 116 1HB ALA 116 6.599 24.605 8.164 860 HB2 ALA 116 2HB ALA 116 7.058 23.841 6.623 861 HB3 ALA 116 3HB ALA 116 5.380 24.348 6.896 862 H ILE 117 H ILE 117 4.483 26.839 5.751 863 HA ILE 117 HA ILE 117 4.365 29.196 7.500 864 HB ILE 117 HB ILE 117 2.290 27.975 5.636 865 HG12 ILE 117 1HG1 ILE 117 3.888 30.391 4.875 866 HG13 ILE 117 2HG1 ILE 117 4.642 28.811 4.708 867 HG21 ILE 117 1HG2 ILE 117 1.278 29.585 7.208 868 HG22 ILE 117 2HG2 ILE 117 1.323 30.286 5.585 869 HG23 ILE 117 3HG2 ILE 117 2.520 30.793 6.799 870 HD11 ILE 117 1HD1 ILE 117 3.583 29.473 2.632 871 HD12 ILE 117 2HD1 ILE 117 2.017 29.623 3.458 872 HD13 ILE 117 3HD1 ILE 117 2.798 28.024 3.312 873 H VAL 118 H VAL 118 3.082 29.337 9.416 874 HA VAL 118 HA VAL 118 2.165 26.902 10.600 875 HB VAL 118 HB VAL 118 2.642 28.594 12.155 876 HG11 VAL 118 1HG1 VAL 118 1.527 30.809 12.189 877 HG12 VAL 118 2HG1 VAL 118 0.822 30.446 10.595 878 HG13 VAL 118 3HG1 VAL 118 2.589 30.566 10.792 879 HG21 VAL 118 1HG2 VAL 118 0.565 27.312 12.687 880 HG22 VAL 118 2HG2 VAL 118 -0.404 28.609 11.950 881 HG23 VAL 118 3HG2 VAL 118 0.571 28.936 13.396 882 H LEU 119 H LEU 119 0.376 25.751 10.256 883 HA LEU 119 HA LEU 119 -1.294 26.421 8.038 884 HB2 LEU 119 1HB LEU 119 -0.667 24.137 8.978 885 HB3 LEU 119 2HB LEU 119 -1.907 24.383 10.200 886 HG LEU 119 HG LEU 119 -2.666 24.671 7.296 887 HD11 LEU 119 1HD1 LEU 119 -1.268 22.632 7.402 888 HD12 LEU 119 2HD1 LEU 119 -2.969 22.266 7.070 889 HD13 LEU 119 3HD1 LEU 119 -2.297 21.995 8.695 890 HD21 LEU 119 1HD2 LEU 119 -4.755 23.542 8.167 891 HD22 LEU 119 2HD2 LEU 119 -4.406 25.096 8.940 892 HD23 LEU 119 3HD2 LEU 119 -4.043 23.583 9.788 893 H GLN 120 H GLN 120 -3.117 27.544 7.891 894 HA GLN 120 HA GLN 120 -4.644 28.254 10.366 895 HB2 GLN 120 1HB GLN 120 -3.785 30.056 8.085 896 HB3 GLN 120 2HB GLN 120 -4.980 30.503 9.307 897 HG2 GLN 120 1HG GLN 120 -3.395 30.689 10.987 898 HG3 GLN 120 2HG GLN 120 -2.242 29.648 10.153 899 HE21 GLN 120 1HE2 GLN 120 -0.782 32.198 8.253 900 HE22 GLN 120 2HE2 GLN 120 -0.942 30.472 8.513 901 H LEU 121 H LEU 121 -6.886 28.739 9.872 902 HA LEU 121 HA LEU 121 -7.771 27.581 7.257 903 HB2 LEU 121 1HB LEU 121 -8.922 27.509 10.040 904 HB3 LEU 121 2HB LEU 121 -10.010 27.493 8.662 905 HG LEU 121 HG LEU 121 -7.856 25.423 9.164 906 HD11 LEU 121 1HD1 LEU 121 -9.587 25.332 10.850 907 HD12 LEU 121 2HD1 LEU 121 -9.845 23.995 9.713 908 HD13 LEU 121 3HD1 LEU 121 -10.859 25.450 9.622 909 HD21 LEU 121 1HD2 LEU 121 -10.127 25.558 7.123 910 HD22 LEU 121 2HD2 LEU 121 -9.138 24.114 7.445 911 HD23 LEU 121 3HD2 LEU 121 -8.388 25.569 6.775 912 HA PRO 122 HA PRO 122 -9.243 31.619 6.501 913 HB2 PRO 122 1HB PRO 122 -11.223 31.235 4.684 914 HB3 PRO 122 2HB PRO 122 -9.493 30.883 4.300 915 HG2 PRO 122 1HG PRO 122 -11.659 28.992 5.216 916 HG3 PRO 122 2HG PRO 122 -10.575 28.853 3.794 917 HD2 PRO 122 1HD PRO 122 -10.024 27.607 6.110 918 HD3 PRO 122 2HD PRO 122 -8.720 28.331 5.106 919 H GLN 123 H GLN 123 -11.134 33.057 6.641 920 HA GLN 123 HA GLN 123 -12.548 32.742 9.048 921 HB2 GLN 123 1HB GLN 123 -12.138 34.881 7.803 922 HB3 GLN 123 2HB GLN 123 -13.343 34.385 6.609 923 HG2 GLN 123 1HG GLN 123 -15.087 34.399 8.347 924 HG3 GLN 123 2HG GLN 123 -13.883 34.871 9.559 925 HE21 GLN 123 1HE2 GLN 123 -15.753 37.688 7.490 926 HE22 GLN 123 2HE2 GLN 123 -16.290 36.034 7.659 927 H GLY 124 H GLY 124 -14.349 31.692 9.626 928 HA2 GLY 124 1HA GLY 124 -16.573 30.911 9.231 929 HA3 GLY 124 2HA GLY 124 -16.212 30.756 7.507 930 H THR 125 H THR 125 -13.502 29.434 8.312 931 HA THR 125 HA THR 125 -14.733 26.768 8.898 932 HB THR 125 HB THR 125 -12.015 27.260 7.629 933 HG1 THR 125 HG1 THR 125 -13.749 28.137 6.355 934 HG21 THR 125 1HG2 THR 125 -13.900 24.872 7.450 935 HG22 THR 125 2HG2 THR 125 -12.595 24.976 8.634 936 HG23 THR 125 3HG2 THR 125 -12.220 24.967 6.905 937 H THR 126 H THR 126 -14.252 25.813 10.773 938 HA THR 126 HA THR 126 -11.929 26.862 12.334 939 HB THR 126 HB THR 126 -13.285 26.063 14.344 940 HG1 THR 126 HG1 THR 126 -14.828 24.830 13.258 941 HG21 THR 126 1HG2 THR 126 -13.035 28.431 13.723 942 HG22 THR 126 2HG2 THR 126 -14.627 28.084 14.437 943 HG23 THR 126 3HG2 THR 126 -14.475 28.301 12.679 944 H LEU 127 H LEU 127 -10.716 25.426 13.504 945 HA LEU 127 HA LEU 127 -10.505 22.759 12.394 946 HB2 LEU 127 1HB LEU 127 -9.343 23.953 14.918 947 HB3 LEU 127 2HB LEU 127 -8.910 22.387 14.292 948 HG LEU 127 HG LEU 127 -8.387 24.978 12.810 949 HD11 LEU 127 1HD1 LEU 127 -7.129 24.885 14.932 950 HD12 LEU 127 2HD1 LEU 127 -6.053 24.703 13.530 951 HD13 LEU 127 3HD1 LEU 127 -6.507 23.278 14.496 952 HD21 LEU 127 1HD2 LEU 127 -7.325 22.146 12.408 953 HD22 LEU 127 2HD2 LEU 127 -6.876 23.583 11.457 954 HD23 LEU 127 3HD2 LEU 127 -8.528 22.953 11.380 955 HA PRO 128 HA PRO 128 -13.465 20.949 15.086 956 HB2 PRO 128 1HB PRO 128 -12.772 18.325 15.112 957 HB3 PRO 128 2HB PRO 128 -13.353 19.135 13.622 958 HG2 PRO 128 1HG PRO 128 -10.575 18.517 14.486 959 HG3 PRO 128 2HG PRO 128 -11.353 18.272 12.900 960 HD2 PRO 128 1HD PRO 128 -9.731 20.417 13.522 961 HD3 PRO 128 2HD PRO 128 -11.023 20.502 12.291 962 H LYS 129 H LYS 129 -13.643 19.489 17.101 963 HA LYS 129 HA LYS 129 -12.229 20.699 19.214 964 HB2 LYS 129 1HB LYS 129 -14.421 19.496 19.335 965 HB3 LYS 129 2HB LYS 129 -13.552 17.965 19.180 966 HG2 LYS 129 1HG LYS 129 -12.368 18.417 21.293 967 HG3 LYS 129 2HG LYS 129 -13.231 19.966 21.444 968 HD2 LYS 129 1HD LYS 129 -15.380 18.746 21.434 969 HD3 LYS 129 2HD LYS 129 -14.499 17.209 21.328 970 HE2 LYS 129 1HE LYS 129 -13.385 17.703 23.486 971 HE3 LYS 129 2HE LYS 129 -14.292 19.228 23.598 972 HZ1 LYS 129 1HZ LYS 129 -15.358 17.453 24.858 973 HZ2 LYS 129 2HZ LYS 129 -15.506 16.522 23.503 974 HZ3 LYS 129 3HZ LYS 129 -16.341 17.940 23.625 975 H GLY 130 H GLY 130 -10.288 20.413 20.095 976 HA2 GLY 130 1HA GLY 130 -8.524 19.144 20.971 977 HA3 GLY 130 2HA GLY 130 -9.003 17.773 19.972 978 H PHE 131 H PHE 131 -8.921 20.281 17.803 979 HA PHE 131 HA PHE 131 -6.178 19.535 17.059 980 HB2 PHE 131 1HB PHE 131 -8.667 20.175 15.616 981 HB3 PHE 131 2HB PHE 131 -7.201 20.880 14.935 982 HD1 PHE 131 HD1 PHE 131 -5.439 19.528 14.041 983 HD2 PHE 131 HD2 PHE 131 -8.968 17.721 15.666 984 HE1 PHE 131 HE1 PHE 131 -4.828 17.376 12.941 985 HE2 PHE 131 HE2 PHE 131 -8.386 15.572 14.548 986 HZ PHE 131 HZ PHE 131 -6.311 15.400 13.201 987 H TYR 132 H TYR 132 -4.628 20.878 16.853 988 HA TYR 132 HA TYR 132 -5.124 23.778 16.641 989 HB2 TYR 132 1HB TYR 132 -3.603 24.406 18.364 990 HB3 TYR 132 2HB TYR 132 -4.777 23.301 19.078 991 HD1 TYR 132 HD1 TYR 132 -1.234 23.779 18.106 992 HD2 TYR 132 HD2 TYR 132 -4.071 21.032 19.837 993 HE1 TYR 132 HE1 TYR 132 0.637 22.407 19.010 994 HE2 TYR 132 HE2 TYR 132 -2.186 19.680 20.752 995 HH TYR 132 HH TYR 132 0.089 19.523 21.024 996 H ALA 133 H ALA 133 -3.065 24.909 15.991 997 HA ALA 133 HA ALA 133 -1.655 23.143 14.069 998 HB1 ALA 133 1HB ALA 133 -2.985 25.016 13.133 999 HB2 ALA 133 2HB ALA 133 -1.252 25.184 12.777 1000 HB3 ALA 133 3HB ALA 133 -1.993 26.165 14.059 1001 H GLU 134 H GLU 134 0.458 22.925 13.957 1002 HA GLU 134 HA GLU 134 2.163 23.694 16.150 1003 HB2 GLU 134 1HB GLU 134 2.566 21.715 14.789 1004 HB3 GLU 134 2HB GLU 134 2.671 22.681 13.337 1005 HG2 GLU 134 1HG GLU 134 4.875 22.052 13.867 1006 HG3 GLU 134 2HG GLU 134 4.749 23.760 14.308 1007 H GLY 135 H GLY 135 3.653 25.373 16.323 1008 HA2 GLY 135 1HA GLY 135 4.922 27.198 15.498 1009 HA3 GLY 135 2HA GLY 135 3.936 27.236 14.031 1010 H SER 136 H SER 136 1.368 27.210 15.485 1011 HA SER 136 HA SER 136 1.117 30.041 15.948 1012 HB2 SER 136 1HB SER 136 -0.759 28.581 15.159 1013 HB3 SER 136 2HB SER 136 -0.771 27.783 16.745 1014 HG SER 136 HG SER 136 -2.309 29.482 16.599 1015 H ARG 137 H ARG 137 1.606 31.124 17.702 1016 HA ARG 137 HA ARG 137 2.290 31.656 19.829 1017 HB2 ARG 137 1HB ARG 137 -0.092 31.120 20.191 1018 HB3 ARG 137 2HB ARG 137 0.429 29.544 20.821 1019 HG2 ARG 137 1HG ARG 137 1.812 30.652 22.509 1020 HG3 ARG 137 2HG ARG 137 1.440 32.237 21.804 1021 HD2 ARG 137 1HD ARG 137 0.094 31.913 23.704 1022 HD3 ARG 137 2HD ARG 137 -0.896 31.856 22.236 1023 HE ARG 137 HE ARG 137 -1.422 29.639 22.670 1024 HH11 ARG 137 1HH1 ARG 137 1.277 30.511 24.784 1025 HH12 ARG 137 2HH1 ARG 137 1.177 29.016 25.673 1026 HH21 ARG 137 1HH2 ARG 137 -1.475 27.762 23.849 1027 HH22 ARG 137 2HH2 ARG 137 -0.348 27.494 25.149 1028 H GLY 138 H GLY 138 4.435 30.811 19.348 1029 HA2 GLY 138 1HA GLY 138 5.221 28.219 20.338 1030 HA3 GLY 138 2HA GLY 138 6.305 29.564 19.928 1031 H GLY 139 H GLY 139 6.937 28.034 22.116 1032 HA2 GLY 139 1HA GLY 139 7.057 29.956 24.220 1033 HA3 GLY 139 2HA GLY 139 5.810 28.733 24.585 1034 H SER 140 H SER 140 7.446 28.237 26.370 1035 HA SER 140 HA SER 140 9.884 26.846 25.573 1036 HB2 SER 140 1HB SER 140 8.431 26.919 28.247 1037 HB3 SER 140 2HB SER 140 10.113 26.413 27.966 1038 HG SER 140 HG SER 140 10.411 28.600 27.100 Start of MODEL 31 1 H1 GLY 1 1H GLY 1 10.090 2.297 5.687 2 H2 GLY 1 2H GLY 1 9.066 1.546 4.636 3 H3 GLY 1 3H GLY 1 8.626 1.745 6.214 4 HA2 GLY 1 1HA GLY 1 7.471 3.309 4.812 5 HA3 GLY 1 2HA GLY 1 8.546 4.116 5.971 6 H ALA 2 H ALA 2 7.627 5.262 3.468 7 HA ALA 2 HA ALA 2 9.468 4.879 1.370 8 HB1 ALA 2 1HB ALA 2 7.248 5.949 1.151 9 HB2 ALA 2 2HB ALA 2 8.544 6.944 0.462 10 HB3 ALA 2 3HB ALA 2 7.852 7.366 2.048 11 H MET 3 H MET 3 11.197 5.906 0.623 12 HA MET 3 HA MET 3 12.412 8.257 1.758 13 HB2 MET 3 1HB MET 3 14.526 7.198 2.446 14 HB3 MET 3 2HB MET 3 13.207 6.619 3.458 15 HG2 MET 3 1HG MET 3 14.314 4.650 3.072 16 HG3 MET 3 2HG MET 3 13.137 4.609 1.754 17 HE1 MET 3 1HE MET 3 17.710 5.303 1.343 18 HE2 MET 3 2HE MET 3 16.881 4.682 2.789 19 HE3 MET 3 3HE MET 3 16.729 6.400 2.341 20 H GLY 4 H GLY 4 14.499 8.465 0.205 21 HA2 GLY 4 1HA GLY 4 15.464 8.104 -1.893 22 HA3 GLY 4 2HA GLY 4 14.420 6.686 -2.101 23 H LEU 5 H LEU 5 13.253 9.908 -1.310 24 HA LEU 5 HA LEU 5 11.336 9.925 -3.427 25 HB2 LEU 5 1HB LEU 5 12.486 12.166 -1.731 26 HB3 LEU 5 2HB LEU 5 11.169 12.378 -2.860 27 HG LEU 5 HG LEU 5 10.246 12.370 -0.719 28 HD11 LEU 5 1HD1 LEU 5 8.656 10.542 -0.765 29 HD12 LEU 5 2HD1 LEU 5 9.706 9.610 -1.858 30 HD13 LEU 5 3HD1 LEU 5 8.962 11.133 -2.408 31 HD21 LEU 5 1HD2 LEU 5 10.492 10.709 0.985 32 HD22 LEU 5 2HD2 LEU 5 12.116 11.217 0.480 33 HD23 LEU 5 3HD2 LEU 5 11.447 9.663 -0.085 34 HA PRO 6 HA PRO 6 14.043 11.240 -6.667 35 HB2 PRO 6 1HB PRO 6 12.364 12.439 -8.441 36 HB3 PRO 6 2HB PRO 6 12.284 10.679 -8.105 37 HG2 PRO 6 1HG PRO 6 10.631 12.900 -6.920 38 HG3 PRO 6 2HG PRO 6 10.082 11.377 -7.693 39 HD2 PRO 6 1HD PRO 6 10.298 11.604 -5.007 40 HD3 PRO 6 2HD PRO 6 10.726 10.075 -5.852 41 H ASN 7 H ASN 7 12.272 13.513 -4.782 42 HA ASN 7 HA ASN 7 14.329 15.537 -5.189 43 HB2 ASN 7 1HB ASN 7 12.317 15.960 -6.828 44 HB3 ASN 7 2HB ASN 7 11.398 16.363 -5.375 45 HD21 ASN 7 1HD2 ASN 7 13.130 19.349 -6.981 46 HD22 ASN 7 2HD2 ASN 7 12.200 18.036 -7.659 47 H ASN 8 H ASN 8 12.248 17.204 -3.569 48 HA ASN 8 HA ASN 8 12.741 15.742 -1.019 49 HB2 ASN 8 1HB ASN 8 12.181 18.632 -1.689 50 HB3 ASN 8 2HB ASN 8 12.113 18.008 -0.039 51 HD21 ASN 8 1HD2 ASN 8 15.736 18.382 -1.913 52 HD22 ASN 8 2HD2 ASN 8 14.257 18.394 -2.851 53 H THR 9 H THR 9 10.162 17.184 -2.938 54 HA THR 9 HA THR 9 7.906 17.375 -2.580 55 HB THR 9 HB THR 9 6.796 15.159 -2.414 56 HG1 THR 9 HG1 THR 9 8.662 14.314 -1.110 57 HG21 THR 9 1HG2 THR 9 7.680 14.337 -4.550 58 HG22 THR 9 2HG2 THR 9 9.156 15.301 -4.338 59 HG23 THR 9 3HG2 THR 9 7.585 16.108 -4.581 60 H ALA 10 H ALA 10 7.869 18.699 -0.696 61 HA ALA 10 HA ALA 10 6.995 17.230 1.754 62 HB1 ALA 10 1HB ALA 10 9.293 18.144 1.966 63 HB2 ALA 10 2HB ALA 10 8.157 18.921 3.094 64 HB3 ALA 10 3HB ALA 10 8.666 19.774 1.613 65 H SER 11 H SER 11 5.422 18.102 3.046 66 HA SER 11 HA SER 11 3.325 19.573 1.829 67 HB2 SER 11 1HB SER 11 2.562 19.830 4.257 68 HB3 SER 11 2HB SER 11 2.854 18.172 3.709 69 HG SER 11 HG SER 11 4.548 19.806 5.284 70 H TRP 12 H TRP 12 2.738 21.686 1.836 71 HA TRP 12 HA TRP 12 4.797 23.640 2.257 72 HB2 TRP 12 1HB TRP 12 1.964 23.667 1.306 73 HB3 TRP 12 2HB TRP 12 2.699 25.193 1.830 74 HD1 TRP 12 HD1 TRP 12 2.835 22.679 -1.017 75 HE1 TRP 12 HE1 TRP 12 4.388 23.481 -2.875 76 HE3 TRP 12 HE3 TRP 12 4.924 26.618 1.483 77 HZ2 TRP 12 HZ2 TRP 12 6.316 25.545 -3.218 78 HZ3 TRP 12 HZ3 TRP 12 6.667 27.989 0.321 79 HH2 TRP 12 HH2 TRP 12 7.349 27.445 -2.015 80 H PHE 13 H PHE 13 2.368 22.428 4.417 81 HA PHE 13 HA PHE 13 2.743 24.863 6.096 82 HB2 PHE 13 1HB PHE 13 0.322 23.051 5.913 83 HB3 PHE 13 2HB PHE 13 0.491 24.469 6.954 84 HD1 PHE 13 HD1 PHE 13 -0.283 23.274 3.620 85 HD2 PHE 13 HD2 PHE 13 0.654 26.750 5.961 86 HE1 PHE 13 HE1 PHE 13 -1.151 24.721 1.796 87 HE2 PHE 13 HE2 PHE 13 -0.182 28.215 4.132 88 HZ PHE 13 HZ PHE 13 -1.060 27.200 2.034 89 H THR 14 H THR 14 2.405 24.640 8.356 90 HA THR 14 HA THR 14 3.971 22.487 9.451 91 HB THR 14 HB THR 14 3.364 23.454 11.644 92 HG1 THR 14 HG1 THR 14 1.935 25.151 11.772 93 HG21 THR 14 1HG2 THR 14 4.071 25.575 9.585 94 HG22 THR 14 2HG2 THR 14 5.215 24.481 10.394 95 HG23 THR 14 3HG2 THR 14 4.324 25.694 11.337 96 H ALA 15 H ALA 15 3.203 21.154 11.277 97 HA ALA 15 HA ALA 15 0.877 19.689 10.317 98 HB1 ALA 15 1HB ALA 15 1.695 17.927 11.554 99 HB2 ALA 15 2HB ALA 15 2.523 18.990 12.720 100 HB3 ALA 15 3HB ALA 15 3.168 18.788 11.081 101 H LEU 16 H LEU 16 -0.975 19.220 11.394 102 HA LEU 16 HA LEU 16 -1.627 20.850 13.782 103 HB2 LEU 16 1HB LEU 16 -3.159 19.112 11.841 104 HB3 LEU 16 2HB LEU 16 -3.848 19.632 13.363 105 HG LEU 16 HG LEU 16 -4.220 21.735 12.663 106 HD11 LEU 16 1HD1 LEU 16 -3.040 23.006 11.037 107 HD12 LEU 16 2HD1 LEU 16 -2.006 21.617 10.649 108 HD13 LEU 16 3HD1 LEU 16 -1.927 22.391 12.242 109 HD21 LEU 16 1HD2 LEU 16 -5.045 21.698 10.377 110 HD22 LEU 16 2HD2 LEU 16 -5.419 20.186 11.228 111 HD23 LEU 16 3HD2 LEU 16 -4.078 20.238 10.059 112 H THR 17 H THR 17 -1.942 19.971 15.741 113 HA THR 17 HA THR 17 -1.007 17.185 16.096 114 HB THR 17 HB THR 17 -1.885 19.255 18.153 115 HG1 THR 17 HG1 THR 17 0.228 19.802 18.261 116 HG21 THR 17 1HG2 THR 17 -0.478 17.840 19.686 117 HG22 THR 17 2HG2 THR 17 -0.365 16.624 18.394 118 HG23 THR 17 3HG2 THR 17 -1.947 17.026 19.114 119 H GLN 18 H GLN 18 -2.320 15.482 16.393 120 HA GLN 18 HA GLN 18 -5.236 15.963 16.548 121 HB2 GLN 18 1HB GLN 18 -4.294 14.334 14.933 122 HB3 GLN 18 2HB GLN 18 -3.591 13.411 16.250 123 HG2 GLN 18 1HG GLN 18 -6.574 13.892 16.262 124 HG3 GLN 18 2HG GLN 18 -5.912 12.732 15.108 125 HE21 GLN 18 1HE2 GLN 18 -6.936 10.870 18.121 126 HE22 GLN 18 2HE2 GLN 18 -7.717 11.862 16.904 127 H HIS 19 H HIS 19 -6.319 15.888 18.441 128 HA HIS 19 HA HIS 19 -5.316 14.015 20.532 129 HB2 HIS 19 1HB HIS 19 -4.547 16.281 21.175 130 HB3 HIS 19 2HB HIS 19 -6.196 16.893 21.007 131 HD1 HIS 19 HD1 HIS 19 -4.015 14.861 23.322 132 HD2 HIS 19 HD2 HIS 19 -7.943 16.225 23.075 133 HE1 HIS 19 HE1 HIS 19 -5.065 14.494 25.596 134 H GLY 20 H GLY 20 -6.969 12.536 20.160 135 HA2 GLY 20 1HA GLY 20 -9.475 13.005 21.345 136 HA3 GLY 20 2HA GLY 20 -9.664 13.331 19.612 137 H LYS 21 H LYS 21 -11.217 11.442 20.022 138 HA LYS 21 HA LYS 21 -9.793 8.824 19.920 139 HB2 LYS 21 1HB LYS 21 -12.724 9.548 20.257 140 HB3 LYS 21 2HB LYS 21 -12.129 7.898 20.037 141 HG2 LYS 21 1HG LYS 21 -10.700 8.175 22.061 142 HG3 LYS 21 2HG LYS 21 -11.441 9.764 22.331 143 HD2 LYS 21 1HD LYS 21 -13.670 8.689 22.478 144 HD3 LYS 21 2HD LYS 21 -12.914 7.101 22.239 145 HE2 LYS 21 1HE LYS 21 -12.336 9.007 24.549 146 HE3 LYS 21 2HE LYS 21 -13.384 7.577 24.635 147 HZ1 LYS 21 1HZ LYS 21 -11.164 7.099 25.464 148 HZ2 LYS 21 2HZ LYS 21 -10.479 7.530 24.027 149 HZ3 LYS 21 3HZ LYS 21 -11.456 6.204 24.110 150 H GLU 22 H GLU 22 -11.576 11.095 17.958 151 HA GLU 22 HA GLU 22 -11.564 9.218 15.665 152 HB2 GLU 22 1HB GLU 22 -12.765 11.060 14.519 153 HB3 GLU 22 2HB GLU 22 -13.615 10.450 15.924 154 HG2 GLU 22 1HG GLU 22 -12.698 12.409 17.236 155 HG3 GLU 22 2HG GLU 22 -12.067 13.048 15.707 156 H ASP 23 H ASP 23 -10.639 10.209 13.628 157 HA ASP 23 HA ASP 23 -7.974 11.156 14.420 158 HB2 ASP 23 1HB ASP 23 -9.012 9.445 12.435 159 HB3 ASP 23 2HB ASP 23 -8.238 10.780 11.590 160 H LEU 24 H LEU 24 -10.129 12.163 11.686 161 HA LEU 24 HA LEU 24 -10.039 14.952 12.308 162 HB2 LEU 24 1HB LEU 24 -7.653 14.775 11.608 163 HB3 LEU 24 2HB LEU 24 -8.149 14.025 10.100 164 HG LEU 24 HG LEU 24 -9.193 16.112 9.363 165 HD11 LEU 24 1HD1 LEU 24 -8.243 17.268 12.011 166 HD12 LEU 24 2HD1 LEU 24 -9.920 17.105 11.462 167 HD13 LEU 24 3HD1 LEU 24 -8.831 18.224 10.634 168 HD21 LEU 24 1HD2 LEU 24 -7.152 17.453 9.108 169 HD22 LEU 24 2HD2 LEU 24 -6.833 15.723 8.873 170 HD23 LEU 24 3HD2 LEU 24 -6.370 16.511 10.400 171 H LYS 25 H LYS 25 -11.579 15.996 10.991 172 HA LYS 25 HA LYS 25 -12.178 14.929 8.345 173 HB2 LYS 25 1HB LYS 25 -13.567 13.510 9.926 174 HB3 LYS 25 2HB LYS 25 -14.366 14.987 10.468 175 HG2 LYS 25 1HG LYS 25 -15.786 13.869 8.880 176 HG3 LYS 25 2HG LYS 25 -15.185 15.353 8.127 177 HD2 LYS 25 1HD LYS 25 -13.447 14.021 6.923 178 HD3 LYS 25 2HD LYS 25 -14.090 12.542 7.658 179 HE2 LYS 25 1HE LYS 25 -15.633 14.444 5.845 180 HE3 LYS 25 2HE LYS 25 -14.905 12.904 5.338 181 HZ1 LYS 25 1HZ LYS 25 -17.253 12.645 5.839 182 HZ2 LYS 25 2HZ LYS 25 -17.036 13.196 7.380 183 HZ3 LYS 25 3HZ LYS 25 -16.355 11.769 6.911 184 H PHE 26 H PHE 26 -13.004 16.563 7.042 185 HA PHE 26 HA PHE 26 -13.846 19.077 8.421 186 HB2 PHE 26 1HB PHE 26 -12.091 18.687 5.978 187 HB3 PHE 26 2HB PHE 26 -12.974 20.188 6.258 188 HD1 PHE 26 HD1 PHE 26 -9.782 19.136 6.375 189 HD2 PHE 26 HD2 PHE 26 -12.738 20.720 9.098 190 HE1 PHE 26 HE1 PHE 26 -7.988 19.934 7.891 191 HE2 PHE 26 HE2 PHE 26 -10.933 21.563 10.568 192 HZ PHE 26 HZ PHE 26 -8.548 21.153 9.976 193 HA PRO 27 HA PRO 27 -17.509 18.588 5.983 194 HB2 PRO 27 1HB PRO 27 -18.342 21.191 5.673 195 HB3 PRO 27 2HB PRO 27 -18.431 20.329 7.238 196 HG2 PRO 27 1HG PRO 27 -16.405 22.236 6.271 197 HG3 PRO 27 2HG PRO 27 -17.226 22.159 7.841 198 HD2 PRO 27 1HD PRO 27 -14.716 21.221 7.426 199 HD3 PRO 27 2HD PRO 27 -15.849 20.462 8.597 200 H ARG 28 H ARG 28 -18.420 18.968 3.829 201 HA ARG 28 HA ARG 28 -16.374 19.051 1.796 202 HB2 ARG 28 1HB ARG 28 -18.529 17.719 1.713 203 HB3 ARG 28 2HB ARG 28 -19.402 19.239 1.504 204 HG2 ARG 28 1HG ARG 28 -19.231 18.335 -0.662 205 HG3 ARG 28 2HG ARG 28 -17.994 19.599 -0.615 206 HD2 ARG 28 1HD ARG 28 -16.270 17.858 -0.136 207 HD3 ARG 28 2HD ARG 28 -17.521 16.609 -0.235 208 HE ARG 28 HE ARG 28 -16.264 18.068 -2.446 209 HH11 ARG 28 1HH1 ARG 28 -19.016 16.031 -1.549 210 HH12 ARG 28 2HH1 ARG 28 -19.307 15.548 -3.198 211 HH21 ARG 28 1HH2 ARG 28 -16.709 17.409 -4.517 212 HH22 ARG 28 2HH2 ARG 28 -18.025 16.315 -4.842 213 H GLY 29 H GLY 29 -15.751 20.707 0.430 214 HA2 GLY 29 1HA GLY 29 -15.883 22.774 -0.652 215 HA3 GLY 29 2HA GLY 29 -17.385 23.130 0.219 216 H GLN 30 H GLN 30 -14.987 21.957 2.282 217 HA GLN 30 HA GLN 30 -13.928 24.606 3.041 218 HB2 GLN 30 1HB GLN 30 -16.090 23.080 4.373 219 HB3 GLN 30 2HB GLN 30 -14.782 23.583 5.440 220 HG2 GLN 30 1HG GLN 30 -15.131 25.913 4.743 221 HG3 GLN 30 2HG GLN 30 -16.499 25.385 3.741 222 HE21 GLN 30 1HE2 GLN 30 -16.833 25.572 7.802 223 HE22 GLN 30 2HE2 GLN 30 -15.269 25.768 7.014 224 H GLY 31 H GLY 31 -12.461 24.280 4.990 225 HA2 GLY 31 1HA GLY 31 -11.213 22.790 6.390 226 HA3 GLY 31 2HA GLY 31 -11.450 21.491 5.215 227 H VAL 32 H VAL 32 -10.858 23.684 3.114 228 HA VAL 32 HA VAL 32 -8.074 23.065 2.767 229 HB VAL 32 HB VAL 32 -9.833 25.297 1.595 230 HG11 VAL 32 1HG1 VAL 32 -8.108 25.348 -0.211 231 HG12 VAL 32 2HG1 VAL 32 -7.081 24.317 0.787 232 HG13 VAL 32 3HG1 VAL 32 -7.543 25.946 1.341 233 HG21 VAL 32 1HG2 VAL 32 -9.926 23.835 -0.420 234 HG22 VAL 32 2HG2 VAL 32 -10.679 23.075 1.001 235 HG23 VAL 32 3HG2 VAL 32 -9.052 22.574 0.471 236 HA PRO 33 HA PRO 33 -6.767 26.158 5.684 237 HB2 PRO 33 1HB PRO 33 -4.074 25.950 5.336 238 HB3 PRO 33 2HB PRO 33 -5.046 24.693 6.159 239 HG2 PRO 33 1HG PRO 33 -4.078 24.778 3.362 240 HG3 PRO 33 2HG PRO 33 -4.023 23.448 4.542 241 HD2 PRO 33 1HD PRO 33 -5.860 23.564 2.632 242 HD3 PRO 33 2HD PRO 33 -6.182 22.863 4.249 243 H ILE 34 H ILE 34 -5.380 28.174 5.665 244 HA ILE 34 HA ILE 34 -6.048 29.681 3.272 245 HB ILE 34 HB ILE 34 -4.341 30.485 5.665 246 HG12 ILE 34 1HG1 ILE 34 -7.240 31.073 4.982 247 HG13 ILE 34 2HG1 ILE 34 -6.701 29.905 6.189 248 HG21 ILE 34 1HG2 ILE 34 -4.565 32.775 4.886 249 HG22 ILE 34 2HG2 ILE 34 -5.677 32.285 3.581 250 HG23 ILE 34 3HG2 ILE 34 -3.964 31.827 3.527 251 HD11 ILE 34 1HD1 ILE 34 -5.581 31.763 7.417 252 HD12 ILE 34 2HD1 ILE 34 -7.345 31.897 7.326 253 HD13 ILE 34 3HD1 ILE 34 -6.335 32.899 6.273 254 H ASN 35 H ASN 35 -5.006 29.492 1.504 255 HA ASN 35 HA ASN 35 -2.087 28.864 1.571 256 HB2 ASN 35 1HB ASN 35 -4.030 28.442 -0.713 257 HB3 ASN 35 2HB ASN 35 -2.377 27.844 -0.606 258 HD21 ASN 35 1HD2 ASN 35 -5.174 25.380 0.331 259 HD22 ASN 35 2HD2 ASN 35 -5.185 26.659 -0.857 260 H THR 36 H THR 36 -1.661 31.131 1.927 261 HA THR 36 HA THR 36 -2.660 33.226 0.285 262 HB THR 36 HB THR 36 -0.859 34.588 1.310 263 HG1 THR 36 HG1 THR 36 0.706 33.545 2.570 264 HG21 THR 36 1HG2 THR 36 -1.401 34.261 3.619 265 HG22 THR 36 2HG2 THR 36 -1.842 32.562 3.335 266 HG23 THR 36 3HG2 THR 36 -2.858 33.874 2.678 267 H ASN 37 H ASN 37 -0.084 31.018 -0.307 268 HA ASN 37 HA ASN 37 1.020 32.788 -2.439 269 HB2 ASN 37 1HB ASN 37 3.081 31.327 -2.137 270 HB3 ASN 37 2HB ASN 37 2.663 32.393 -0.791 271 HD21 ASN 37 1HD2 ASN 37 2.287 29.899 1.543 272 HD22 ASN 37 2HD2 ASN 37 2.293 31.605 1.160 273 H SER 38 H SER 38 -1.350 31.057 -2.726 274 HA SER 38 HA SER 38 -0.273 29.373 -4.947 275 HB2 SER 38 1HB SER 38 -1.755 27.573 -4.390 276 HB3 SER 38 2HB SER 38 -0.836 27.973 -2.922 277 HG SER 38 HG SER 38 -2.718 29.418 -2.474 278 H SER 39 H SER 39 -2.023 28.719 -6.461 279 HA SER 39 HA SER 39 -3.559 31.084 -7.204 280 HB2 SER 39 1HB SER 39 -3.365 28.313 -8.443 281 HB3 SER 39 2HB SER 39 -4.027 29.764 -9.225 282 HG SER 39 HG SER 39 -1.828 29.321 -9.783 283 HA PRO 40 HA PRO 40 -7.356 29.754 -5.506 284 HB2 PRO 40 1HB PRO 40 -9.305 30.320 -7.342 285 HB3 PRO 40 2HB PRO 40 -8.424 31.593 -6.435 286 HG2 PRO 40 1HG PRO 40 -7.866 30.528 -9.199 287 HG3 PRO 40 2HG PRO 40 -8.066 32.230 -8.666 288 HD2 PRO 40 1HD PRO 40 -5.621 31.152 -8.952 289 HD3 PRO 40 2HD PRO 40 -5.979 32.250 -7.574 290 H ASP 41 H ASP 41 -6.577 28.444 -8.719 291 HA ASP 41 HA ASP 41 -8.529 26.312 -8.539 292 HB2 ASP 41 1HB ASP 41 -7.451 25.408 -10.468 293 HB3 ASP 41 2HB ASP 41 -7.623 27.152 -10.688 294 H ASP 42 H ASP 42 -5.579 26.936 -6.979 295 HA ASP 42 HA ASP 42 -4.828 24.094 -6.699 296 HB2 ASP 42 1HB ASP 42 -3.117 25.813 -7.252 297 HB3 ASP 42 2HB ASP 42 -3.398 26.557 -5.682 298 H GLN 43 H GLN 43 -6.980 26.033 -5.141 299 HA GLN 43 HA GLN 43 -6.278 25.618 -2.403 300 HB2 GLN 43 1HB GLN 43 -9.004 25.907 -3.704 301 HB3 GLN 43 2HB GLN 43 -8.678 26.075 -1.982 302 HG2 GLN 43 1HG GLN 43 -7.654 27.850 -4.203 303 HG3 GLN 43 2HG GLN 43 -8.839 28.282 -2.975 304 HE21 GLN 43 1HE2 GLN 43 -4.982 28.986 -2.389 305 HE22 GLN 43 2HE2 GLN 43 -5.712 28.634 -3.933 306 H ILE 44 H ILE 44 -7.453 23.407 -4.771 307 HA ILE 44 HA ILE 44 -8.708 21.486 -3.086 308 HB ILE 44 HB ILE 44 -8.882 21.576 -5.574 309 HG12 ILE 44 1HG1 ILE 44 -7.872 18.882 -4.693 310 HG13 ILE 44 2HG1 ILE 44 -9.394 19.564 -4.124 311 HG21 ILE 44 1HG2 ILE 44 -6.054 20.429 -5.581 312 HG22 ILE 44 2HG2 ILE 44 -6.518 22.050 -6.131 313 HG23 ILE 44 3HG2 ILE 44 -7.095 20.620 -6.991 314 HD11 ILE 44 1HD1 ILE 44 -10.170 19.769 -6.453 315 HD12 ILE 44 2HD1 ILE 44 -9.791 18.090 -5.992 316 HD13 ILE 44 3HD1 ILE 44 -8.641 18.992 -6.991 317 H GLY 45 H GLY 45 -7.967 19.711 -1.939 318 HA2 GLY 45 1HA GLY 45 -5.392 18.591 -2.273 319 HA3 GLY 45 2HA GLY 45 -5.280 19.804 -0.995 320 H TYR 46 H TYR 46 -4.673 17.986 0.334 321 HA TYR 46 HA TYR 46 -7.060 16.965 1.697 322 HB2 TYR 46 1HB TYR 46 -6.460 14.638 1.536 323 HB3 TYR 46 2HB TYR 46 -6.579 15.277 -0.094 324 HD1 TYR 46 HD1 TYR 46 -4.530 15.594 -1.466 325 HD2 TYR 46 HD2 TYR 46 -4.405 13.955 2.509 326 HE1 TYR 46 HE1 TYR 46 -2.228 14.751 -1.917 327 HE2 TYR 46 HE2 TYR 46 -2.087 13.077 2.027 328 HH TYR 46 HH TYR 46 -0.427 13.646 -1.100 329 H TYR 47 H TYR 47 -6.372 15.839 3.740 330 HA TYR 47 HA TYR 47 -3.750 16.978 4.638 331 HB2 TYR 47 1HB TYR 47 -6.193 16.192 6.192 332 HB3 TYR 47 2HB TYR 47 -4.642 16.491 6.936 333 HD1 TYR 47 HD1 TYR 47 -7.016 18.299 4.558 334 HD2 TYR 47 HD2 TYR 47 -4.218 18.579 7.825 335 HE1 TYR 47 HE1 TYR 47 -7.515 20.704 4.797 336 HE2 TYR 47 HE2 TYR 47 -4.749 20.997 8.037 337 HH TYR 47 HH TYR 47 -7.223 22.593 6.064 338 H ARG 48 H ARG 48 -2.260 15.657 5.483 339 HA ARG 48 HA ARG 48 -2.717 12.736 5.022 340 HB2 ARG 48 1HB ARG 48 -1.125 14.146 3.572 341 HB3 ARG 48 2HB ARG 48 -0.071 14.237 4.975 342 HG2 ARG 48 1HG ARG 48 0.357 11.883 4.917 343 HG3 ARG 48 2HG ARG 48 -1.004 11.606 3.807 344 HD2 ARG 48 1HD ARG 48 0.161 13.118 2.147 345 HD3 ARG 48 2HD ARG 48 1.584 13.069 3.198 346 HE ARG 48 HE ARG 48 0.891 10.404 2.701 347 HH11 ARG 48 1HH1 ARG 48 1.839 13.173 0.717 348 HH12 ARG 48 2HH1 ARG 48 2.573 12.170 -0.503 349 HH21 ARG 48 1HH2 ARG 48 1.868 9.185 1.101 350 HH22 ARG 48 2HH2 ARG 48 2.577 9.953 -0.290 351 H ARG 49 H ARG 49 -2.825 11.585 6.803 352 HA ARG 49 HA ARG 49 -1.954 12.487 9.402 353 HB2 ARG 49 1HB ARG 49 -3.690 10.714 8.728 354 HB3 ARG 49 2HB ARG 49 -2.332 9.632 8.436 355 HG2 ARG 49 1HG ARG 49 -1.699 9.855 10.838 356 HG3 ARG 49 2HG ARG 49 -3.144 10.873 11.076 357 HD2 ARG 49 1HD ARG 49 -4.474 8.963 10.000 358 HD3 ARG 49 2HD ARG 49 -3.021 7.972 10.185 359 HE ARG 49 HE ARG 49 -4.374 9.305 12.509 360 HH11 ARG 49 1HH1 ARG 49 -3.172 6.316 11.010 361 HH12 ARG 49 2HH1 ARG 49 -3.441 5.392 12.460 362 HH21 ARG 49 1HH2 ARG 49 -4.698 8.061 14.270 363 HH22 ARG 49 2HH2 ARG 49 -4.272 6.368 14.288 364 H ALA 50 H ALA 50 0.007 12.179 10.433 365 HA ALA 50 HA ALA 50 2.020 10.485 9.042 366 HB1 ALA 50 1HB ALA 50 2.403 12.791 8.309 367 HB2 ALA 50 2HB ALA 50 3.718 12.234 9.373 368 HB3 ALA 50 3HB ALA 50 2.460 13.326 10.007 369 H THR 51 H THR 51 2.937 9.127 10.322 370 HA THR 51 HA THR 51 3.422 9.814 13.181 371 HB THR 51 HB THR 51 2.890 7.410 13.746 372 HG1 THR 51 HG1 THR 51 1.456 6.419 12.059 373 HG21 THR 51 1HG2 THR 51 0.489 7.609 13.769 374 HG22 THR 51 2HG2 THR 51 0.530 8.826 12.472 375 HG23 THR 51 3HG2 THR 51 1.205 9.205 14.076 376 H ARG 52 H ARG 52 5.308 8.665 13.978 377 HA ARG 52 HA ARG 52 6.742 6.896 12.155 378 HB2 ARG 52 1HB ARG 52 7.281 9.224 11.318 379 HB3 ARG 52 2HB ARG 52 8.095 9.524 12.858 380 HG2 ARG 52 1HG ARG 52 9.739 7.816 12.399 381 HG3 ARG 52 2HG ARG 52 8.802 7.213 11.013 382 HD2 ARG 52 1HD ARG 52 9.123 9.368 9.855 383 HD3 ARG 52 2HD ARG 52 10.092 9.949 11.221 384 HE ARG 52 HE ARG 52 11.270 7.545 10.377 385 HH11 ARG 52 1HH1 ARG 52 10.690 10.715 8.924 386 HH12 ARG 52 2HH1 ARG 52 12.082 10.593 7.883 387 HH21 ARG 52 1HH2 ARG 52 13.037 7.472 9.016 388 HH22 ARG 52 2HH2 ARG 52 13.378 8.795 7.935 389 H ARG 53 H ARG 53 7.631 5.382 13.405 390 HA ARG 53 HA ARG 53 8.828 6.237 16.000 391 HB2 ARG 53 1HB ARG 53 6.585 4.652 15.818 392 HB3 ARG 53 2HB ARG 53 7.862 3.463 15.886 393 HG2 ARG 53 1HG ARG 53 7.277 3.741 18.126 394 HG3 ARG 53 2HG ARG 53 8.676 4.823 17.966 395 HD2 ARG 53 1HD ARG 53 7.424 6.618 18.465 396 HD3 ARG 53 2HD ARG 53 6.229 6.185 17.248 397 HE ARG 53 HE ARG 53 6.005 4.527 19.617 398 HH11 ARG 53 1HH1 ARG 53 5.061 7.722 18.396 399 HH12 ARG 53 2HH1 ARG 53 3.763 7.859 19.540 400 HH21 ARG 53 1HH2 ARG 53 4.315 4.796 21.024 401 HH22 ARG 53 2HH2 ARG 53 3.340 6.234 20.977 402 H ILE 54 H ILE 54 10.640 5.292 16.493 403 HA ILE 54 HA ILE 54 11.776 3.238 14.721 404 HB ILE 54 HB ILE 54 13.718 4.442 14.191 405 HG12 ILE 54 1HG1 ILE 54 14.364 5.257 16.362 406 HG13 ILE 54 2HG1 ILE 54 14.469 6.517 15.174 407 HG21 ILE 54 1HG2 ILE 54 13.116 6.530 13.117 408 HG22 ILE 54 2HG2 ILE 54 11.664 6.698 14.128 409 HG23 ILE 54 3HG2 ILE 54 11.784 5.370 12.940 410 HD11 ILE 54 1HD1 ILE 54 13.732 7.362 17.269 411 HD12 ILE 54 2HD1 ILE 54 12.342 6.271 17.233 412 HD13 ILE 54 3HD1 ILE 54 12.493 7.559 16.017 413 H ARG 55 H ARG 55 13.958 2.613 15.806 414 HA ARG 55 HA ARG 55 13.817 2.940 18.788 415 HB2 ARG 55 1HB ARG 55 13.396 0.544 18.058 416 HB3 ARG 55 2HB ARG 55 14.964 0.571 17.235 417 HG2 ARG 55 1HG ARG 55 16.050 1.082 19.437 418 HG3 ARG 55 2HG ARG 55 14.474 0.893 20.220 419 HD2 ARG 55 1HD ARG 55 14.372 -1.445 19.462 420 HD3 ARG 55 2HD ARG 55 15.931 -1.246 18.627 421 HE ARG 55 HE ARG 55 16.231 -0.491 21.358 422 HH11 ARG 55 1HH1 ARG 55 15.785 -3.432 19.453 423 HH12 ARG 55 2HH1 ARG 55 16.607 -4.423 20.627 424 HH21 ARG 55 1HH2 ARG 55 17.285 -1.816 22.796 425 HH22 ARG 55 2HH2 ARG 55 17.436 -3.523 22.484 426 H GLY 56 H GLY 56 15.609 4.023 19.503 427 HA2 GLY 56 1HA GLY 56 17.562 4.881 17.502 428 HA3 GLY 56 2HA GLY 56 17.495 5.352 19.213 429 H GLY 57 H GLY 57 19.935 4.990 18.603 430 HA2 GLY 57 1HA GLY 57 20.800 2.194 18.653 431 HA3 GLY 57 2HA GLY 57 21.846 3.636 18.742 432 H ASP 58 H ASP 58 20.392 4.926 20.794 433 HA ASP 58 HA ASP 58 21.446 3.710 23.202 434 HB2 ASP 58 1HB ASP 58 21.316 6.106 23.036 435 HB3 ASP 58 2HB ASP 58 19.631 6.047 22.510 436 H GLY 59 H GLY 59 18.535 3.563 21.318 437 HA2 GLY 59 1HA GLY 59 17.248 1.523 21.466 438 HA3 GLY 59 2HA GLY 59 17.459 1.544 23.230 439 H LYS 60 H LYS 60 17.112 4.593 22.840 440 HA LYS 60 HA LYS 60 14.436 4.671 23.726 441 HB2 LYS 60 1HB LYS 60 14.761 7.127 23.644 442 HB3 LYS 60 2HB LYS 60 15.971 6.215 24.543 443 HG2 LYS 60 1HG LYS 60 17.261 7.730 23.480 444 HG3 LYS 60 2HG LYS 60 17.403 6.349 22.401 445 HD2 LYS 60 1HD LYS 60 16.244 7.309 20.749 446 HD3 LYS 60 2HD LYS 60 15.196 8.232 21.852 447 HE2 LYS 60 1HE LYS 60 18.134 8.806 21.296 448 HE3 LYS 60 2HE LYS 60 16.772 9.698 20.588 449 HZ1 LYS 60 1HZ LYS 60 16.142 10.383 22.846 450 HZ2 LYS 60 2HZ LYS 60 17.685 10.865 22.512 451 HZ3 LYS 60 3HZ LYS 60 17.421 9.563 23.489 452 H MET 61 H MET 61 12.646 5.421 22.929 453 HA MET 61 HA MET 61 12.291 4.958 20.048 454 HB2 MET 61 1HB MET 61 10.260 5.527 22.235 455 HB3 MET 61 2HB MET 61 9.890 5.046 20.575 456 HG2 MET 61 1HG MET 61 11.596 3.045 21.331 457 HG3 MET 61 2HG MET 61 10.771 3.414 22.860 458 HE1 MET 61 1HE MET 61 10.644 1.617 19.520 459 HE2 MET 61 2HE MET 61 9.898 3.137 18.973 460 HE3 MET 61 3HE MET 61 8.933 1.640 19.035 461 H LYS 62 H LYS 62 10.534 6.335 18.985 462 HA LYS 62 HA LYS 62 11.443 9.119 18.909 463 HB2 LYS 62 1HB LYS 62 10.218 7.367 17.133 464 HB3 LYS 62 2HB LYS 62 8.882 8.435 17.564 465 HG2 LYS 62 1HG LYS 62 11.532 9.543 16.814 466 HG3 LYS 62 2HG LYS 62 10.421 8.967 15.566 467 HD2 LYS 62 1HD LYS 62 8.859 10.617 15.986 468 HD3 LYS 62 2HD LYS 62 9.424 10.883 17.649 469 HE2 LYS 62 1HE LYS 62 11.366 11.388 15.438 470 HE3 LYS 62 2HE LYS 62 10.035 12.557 15.647 471 HZ1 LYS 62 1HZ LYS 62 11.973 13.177 16.988 472 HZ2 LYS 62 2HZ LYS 62 11.924 11.742 17.799 473 HZ3 LYS 62 3HZ LYS 62 10.696 12.825 17.972 474 H ASP 63 H ASP 63 8.617 7.333 19.695 475 HA ASP 63 HA ASP 63 6.691 7.698 20.746 476 HB2 ASP 63 1HB ASP 63 8.733 7.803 22.470 477 HB3 ASP 63 2HB ASP 63 7.945 9.337 22.864 478 H LEU 64 H LEU 64 7.169 9.967 18.833 479 HA LEU 64 HA LEU 64 5.846 12.205 20.181 480 HB2 LEU 64 1HB LEU 64 7.219 11.738 17.648 481 HB3 LEU 64 2HB LEU 64 5.715 12.629 17.430 482 HG LEU 64 HG LEU 64 6.453 14.297 19.105 483 HD11 LEU 64 1HD1 LEU 64 8.878 14.363 19.742 484 HD12 LEU 64 2HD1 LEU 64 9.051 12.709 19.106 485 HD13 LEU 64 3HD1 LEU 64 7.989 13.023 20.488 486 HD21 LEU 64 1HD2 LEU 64 8.141 15.347 17.653 487 HD22 LEU 64 2HD2 LEU 64 6.804 14.639 16.726 488 HD23 LEU 64 3HD2 LEU 64 8.368 13.797 16.802 489 H SER 65 H SER 65 3.826 13.022 19.750 490 HA SER 65 HA SER 65 1.717 11.141 19.382 491 HB2 SER 65 1HB SER 65 0.551 13.587 19.082 492 HB3 SER 65 2HB SER 65 1.029 12.913 20.659 493 HG SER 65 HG SER 65 1.837 15.067 20.235 494 HA PRO 66 HA PRO 66 1.143 11.360 15.015 495 HB2 PRO 66 1HB PRO 66 -1.567 11.197 14.680 496 HB3 PRO 66 2HB PRO 66 -0.603 9.810 15.284 497 HG2 PRO 66 1HG PRO 66 -2.153 11.845 16.852 498 HG3 PRO 66 2HG PRO 66 -2.218 10.058 16.953 499 HD2 PRO 66 1HD PRO 66 -0.742 11.520 18.666 500 HD3 PRO 66 2HD PRO 66 -0.152 9.937 18.050 501 H ARG 67 H ARG 67 0.839 12.882 13.372 502 HA ARG 67 HA ARG 67 -0.768 15.292 14.059 503 HB2 ARG 67 1HB ARG 67 1.443 15.903 12.317 504 HB3 ARG 67 2HB ARG 67 0.945 16.685 13.813 505 HG2 ARG 67 1HG ARG 67 2.282 14.963 15.079 506 HG3 ARG 67 2HG ARG 67 2.880 14.370 13.494 507 HD2 ARG 67 1HD ARG 67 3.445 16.718 12.940 508 HD3 ARG 67 2HD ARG 67 3.008 17.164 14.588 509 HE ARG 67 HE ARG 67 5.043 15.148 14.584 510 HH11 ARG 67 1HH1 ARG 67 4.559 18.616 14.094 511 HH12 ARG 67 2HH1 ARG 67 6.207 19.012 14.488 512 HH21 ARG 67 1HH2 ARG 67 7.172 15.741 15.039 513 HH22 ARG 67 2HH2 ARG 67 7.646 17.417 15.005 514 H TRP 68 H TRP 68 -1.288 16.592 12.134 515 HA TRP 68 HA TRP 68 -1.468 14.911 9.647 516 HB2 TRP 68 1HB TRP 68 -3.441 16.846 10.900 517 HB3 TRP 68 2HB TRP 68 -3.542 16.333 9.211 518 HD1 TRP 68 HD1 TRP 68 -3.753 14.779 12.768 519 HE1 TRP 68 HE1 TRP 68 -5.183 12.660 12.696 520 HE3 TRP 68 HE3 TRP 68 -4.462 14.573 7.711 521 HZ2 TRP 68 HZ2 TRP 68 -6.476 11.120 10.699 522 HZ3 TRP 68 HZ3 TRP 68 -5.886 12.749 6.771 523 HH2 TRP 68 HH2 TRP 68 -6.896 11.041 8.283 524 H TYR 69 H TYR 69 -0.713 15.851 7.819 525 HA TYR 69 HA TYR 69 0.149 18.745 7.950 526 HB2 TYR 69 1HB TYR 69 1.188 16.366 6.351 527 HB3 TYR 69 2HB TYR 69 1.666 18.037 6.051 528 HD1 TYR 69 HD1 TYR 69 3.366 19.115 7.352 529 HD2 TYR 69 HD2 TYR 69 1.806 15.302 8.605 530 HE1 TYR 69 HE1 TYR 69 5.226 18.890 9.003 531 HE2 TYR 69 HE2 TYR 69 3.654 15.110 10.278 532 HH TYR 69 HH TYR 69 5.528 16.022 11.126 533 H PHE 70 H PHE 70 0.047 19.674 5.539 534 HA PHE 70 HA PHE 70 -2.434 18.631 4.242 535 HB2 PHE 70 1HB PHE 70 -2.878 20.811 5.245 536 HB3 PHE 70 2HB PHE 70 -1.448 21.492 4.457 537 HD1 PHE 70 HD1 PHE 70 -4.741 19.867 3.711 538 HD2 PHE 70 HD2 PHE 70 -1.606 22.425 2.277 539 HE1 PHE 70 HE1 PHE 70 -6.107 20.412 1.703 540 HE2 PHE 70 HE2 PHE 70 -2.972 22.999 0.286 541 HZ PHE 70 HZ PHE 70 -5.230 21.996 -0.013 542 H TYR 71 H TYR 71 -2.402 18.354 2.098 543 HA TYR 71 HA TYR 71 0.107 18.994 0.606 544 HB2 TYR 71 1HB TYR 71 -1.180 16.378 1.281 545 HB3 TYR 71 2HB TYR 71 -0.470 16.551 -0.331 546 HD1 TYR 71 HD1 TYR 71 0.177 16.113 3.244 547 HD2 TYR 71 HD2 TYR 71 2.023 16.925 -0.556 548 HE1 TYR 71 HE1 TYR 71 2.406 15.498 4.191 549 HE2 TYR 71 HE2 TYR 71 4.252 16.325 0.401 550 HH TYR 71 HH TYR 71 4.642 15.295 3.801 551 H TYR 72 H TYR 72 -0.334 19.567 -1.504 552 HA TYR 72 HA TYR 72 -3.041 20.094 -2.323 553 HB2 TYR 72 1HB TYR 72 -0.440 20.112 -3.844 554 HB3 TYR 72 2HB TYR 72 -1.999 20.649 -4.476 555 HD1 TYR 72 HD1 TYR 72 0.958 21.875 -3.157 556 HD2 TYR 72 HD2 TYR 72 -3.299 22.305 -2.676 557 HE1 TYR 72 HE1 TYR 72 1.273 24.156 -2.197 558 HE2 TYR 72 HE2 TYR 72 -2.956 24.560 -1.706 559 HH TYR 72 HH TYR 72 -1.465 26.208 -1.240 560 H LEU 73 H LEU 73 -4.071 19.197 -4.281 561 HA LEU 73 HA LEU 73 -4.430 16.410 -4.129 562 HB2 LEU 73 1HB LEU 73 -6.054 17.845 -5.170 563 HB3 LEU 73 2HB LEU 73 -4.909 18.394 -6.367 564 HG LEU 73 HG LEU 73 -5.039 16.345 -7.550 565 HD11 LEU 73 1HD1 LEU 73 -5.314 14.700 -5.717 566 HD12 LEU 73 2HD1 LEU 73 -6.506 14.483 -6.996 567 HD13 LEU 73 3HD1 LEU 73 -6.968 15.288 -5.482 568 HD21 LEU 73 1HD2 LEU 73 -7.144 16.413 -8.437 569 HD22 LEU 73 2HD2 LEU 73 -6.794 18.051 -7.850 570 HD23 LEU 73 3HD2 LEU 73 -7.851 16.970 -6.911 571 H GLY 74 H GLY 74 -3.394 14.652 -4.851 572 HA2 GLY 74 1HA GLY 74 -2.079 13.313 -6.154 573 HA3 GLY 74 2HA GLY 74 -2.115 14.572 -7.386 574 H THR 75 H THR 75 -0.720 15.211 -4.179 575 HA THR 75 HA THR 75 1.895 15.574 -5.528 576 HB THR 75 HB THR 75 2.551 16.438 -3.205 577 HG1 THR 75 HG1 THR 75 -0.232 16.641 -2.746 578 HG21 THR 75 1HG2 THR 75 1.200 18.533 -3.409 579 HG22 THR 75 2HG2 THR 75 0.258 17.755 -4.701 580 HG23 THR 75 3HG2 THR 75 2.000 18.039 -4.907 581 H GLY 76 H GLY 76 3.760 14.524 -4.961 582 HA2 GLY 76 1HA GLY 76 5.012 13.020 -3.563 583 HA3 GLY 76 2HA GLY 76 3.517 12.213 -3.064 584 HA PRO 77 HA PRO 77 5.359 10.711 -7.281 585 HB2 PRO 77 1HB PRO 77 7.324 8.900 -6.678 586 HB3 PRO 77 2HB PRO 77 7.619 10.647 -6.839 587 HG2 PRO 77 1HG PRO 77 7.147 9.096 -4.322 588 HG3 PRO 77 2HG PRO 77 8.495 10.203 -4.718 589 HD2 PRO 77 1HD PRO 77 6.384 11.074 -3.320 590 HD3 PRO 77 2HD PRO 77 7.127 12.109 -4.589 591 H GLU 78 H GLU 78 5.100 8.765 -4.360 592 HA GLU 78 HA GLU 78 4.004 6.463 -5.911 593 HB2 GLU 78 1HB GLU 78 4.447 5.184 -3.841 594 HB3 GLU 78 2HB GLU 78 5.912 5.970 -4.440 595 HG2 GLU 78 1HG GLU 78 5.749 7.714 -2.749 596 HG3 GLU 78 2HG GLU 78 4.176 7.107 -2.215 597 H ALA 79 H ALA 79 2.750 9.158 -4.964 598 HA ALA 79 HA ALA 79 1.053 8.511 -2.801 599 HB1 ALA 79 1HB ALA 79 1.510 10.813 -3.418 600 HB2 ALA 79 2HB ALA 79 -0.240 10.528 -3.485 601 HB3 ALA 79 3HB ALA 79 0.714 10.597 -4.988 602 H GLY 80 H GLY 80 0.401 8.569 -6.328 603 HA2 GLY 80 1HA GLY 80 -1.259 7.558 -7.573 604 HA3 GLY 80 2HA GLY 80 -1.233 6.286 -6.342 605 H LEU 81 H LEU 81 -2.178 9.689 -5.740 606 HA LEU 81 HA LEU 81 -4.840 8.634 -5.001 607 HB2 LEU 81 1HB LEU 81 -2.976 10.660 -3.807 608 HB3 LEU 81 2HB LEU 81 -4.691 10.777 -3.538 609 HG LEU 81 HG LEU 81 -2.974 8.443 -2.714 610 HD11 LEU 81 1HD1 LEU 81 -4.265 10.714 -1.153 611 HD12 LEU 81 2HD1 LEU 81 -2.526 10.480 -1.437 612 HD13 LEU 81 3HD1 LEU 81 -3.424 9.328 -0.433 613 HD21 LEU 81 1HD2 LEU 81 -4.984 7.697 -1.473 614 HD22 LEU 81 2HD2 LEU 81 -5.265 7.704 -3.226 615 HD23 LEU 81 3HD2 LEU 81 -5.922 9.003 -2.203 616 HA PRO 82 HA PRO 82 -6.400 11.898 -7.747 617 HB2 PRO 82 1HB PRO 82 -8.653 10.547 -8.447 618 HB3 PRO 82 2HB PRO 82 -7.074 10.177 -9.217 619 HG2 PRO 82 1HG PRO 82 -8.499 8.745 -7.002 620 HG3 PRO 82 2HG PRO 82 -7.640 8.073 -8.408 621 HD2 PRO 82 1HD PRO 82 -6.578 8.236 -5.921 622 HD3 PRO 82 2HD PRO 82 -5.614 8.199 -7.415 623 H TYR 83 H TYR 83 -8.497 13.114 -7.346 624 HA TYR 83 HA TYR 83 -8.859 13.482 -4.555 625 HB2 TYR 83 1HB TYR 83 -9.272 15.167 -6.357 626 HB3 TYR 83 2HB TYR 83 -10.728 14.277 -6.803 627 HD1 TYR 83 HD1 TYR 83 -9.115 16.382 -4.210 628 HD2 TYR 83 HD2 TYR 83 -12.749 14.405 -5.388 629 HE1 TYR 83 HE1 TYR 83 -10.364 17.649 -2.483 630 HE2 TYR 83 HE2 TYR 83 -13.995 15.673 -3.630 631 HH TYR 83 HH TYR 83 -12.368 18.030 -1.484 632 H GLY 84 H GLY 84 -10.192 12.602 -3.089 633 HA2 GLY 84 1HA GLY 84 -12.157 11.589 -2.320 634 HA3 GLY 84 2HA GLY 84 -12.604 11.168 -3.976 635 H ALA 85 H ALA 85 -9.476 10.128 -3.841 636 HA ALA 85 HA ALA 85 -10.264 7.387 -3.630 637 HB1 ALA 85 1HB ALA 85 -8.395 7.845 -4.947 638 HB2 ALA 85 2HB ALA 85 -7.743 7.011 -3.525 639 HB3 ALA 85 3HB ALA 85 -7.593 8.780 -3.670 640 H ASN 86 H ASN 86 -10.379 5.989 -2.017 641 HA ASN 86 HA ASN 86 -10.115 6.952 0.722 642 HB2 ASN 86 1HB ASN 86 -11.919 5.387 -0.005 643 HB3 ASN 86 2HB ASN 86 -10.687 4.167 -0.368 644 HD21 ASN 86 1HD2 ASN 86 -11.153 2.906 2.831 645 HD22 ASN 86 2HD2 ASN 86 -11.220 2.639 1.106 646 H LYS 87 H LYS 87 -8.383 6.787 2.001 647 HA LYS 87 HA LYS 87 -6.512 4.541 1.755 648 HB2 LYS 87 1HB LYS 87 -5.673 6.174 0.079 649 HB3 LYS 87 2HB LYS 87 -5.617 7.408 1.305 650 HG2 LYS 87 1HG LYS 87 -3.767 6.473 2.404 651 HG3 LYS 87 2HG LYS 87 -4.053 4.854 1.719 652 HD2 LYS 87 1HD LYS 87 -3.162 7.247 0.104 653 HD3 LYS 87 2HD LYS 87 -2.046 6.077 0.808 654 HE2 LYS 87 1HE LYS 87 -3.166 4.256 -0.503 655 HE3 LYS 87 2HE LYS 87 -4.206 5.468 -1.270 656 HZ1 LYS 87 1HZ LYS 87 -2.212 6.490 -2.229 657 HZ2 LYS 87 2HZ LYS 87 -2.319 4.911 -2.674 658 HZ3 LYS 87 3HZ LYS 87 -1.246 5.364 -1.512 659 H ASP 88 H ASP 88 -5.227 4.427 3.714 660 HA ASP 88 HA ASP 88 -6.642 5.375 6.019 661 HB2 ASP 88 1HB ASP 88 -5.236 3.338 6.083 662 HB3 ASP 88 2HB ASP 88 -3.793 4.329 5.798 663 H GLY 89 H GLY 89 -6.477 7.189 7.149 664 HA2 GLY 89 1HA GLY 89 -5.618 9.159 7.960 665 HA3 GLY 89 2HA GLY 89 -4.037 8.654 7.359 666 H ILE 90 H ILE 90 -6.790 8.998 5.171 667 HA ILE 90 HA ILE 90 -5.616 11.575 4.221 668 HB ILE 90 HB ILE 90 -6.660 9.280 2.473 669 HG12 ILE 90 1HG1 ILE 90 -4.428 8.824 3.382 670 HG13 ILE 90 2HG1 ILE 90 -4.402 9.067 1.646 671 HG21 ILE 90 1HG2 ILE 90 -5.820 10.794 0.578 672 HG22 ILE 90 2HG2 ILE 90 -5.683 12.103 1.779 673 HG23 ILE 90 3HG2 ILE 90 -7.264 11.379 1.421 674 HD11 ILE 90 1HD1 ILE 90 -3.280 11.087 1.789 675 HD12 ILE 90 2HD1 ILE 90 -2.512 10.051 3.007 676 HD13 ILE 90 3HD1 ILE 90 -3.669 11.313 3.509 677 H ILE 91 H ILE 91 -6.993 13.167 4.100 678 HA ILE 91 HA ILE 91 -9.892 12.539 3.700 679 HB ILE 91 HB ILE 91 -10.449 14.489 5.196 680 HG12 ILE 91 1HG1 ILE 91 -8.002 14.298 6.793 681 HG13 ILE 91 2HG1 ILE 91 -7.662 14.883 5.194 682 HG21 ILE 91 1HG2 ILE 91 -10.664 12.112 5.941 683 HG22 ILE 91 2HG2 ILE 91 -10.327 13.238 7.271 684 HG23 ILE 91 3HG2 ILE 91 -9.027 12.204 6.629 685 HD11 ILE 91 1HD1 ILE 91 -8.156 16.709 6.788 686 HD12 ILE 91 2HD1 ILE 91 -9.808 16.081 6.957 687 HD13 ILE 91 3HD1 ILE 91 -9.230 16.685 5.379 688 H TRP 92 H TRP 92 -10.727 13.569 2.012 689 HA TRP 92 HA TRP 92 -9.029 15.522 0.638 690 HB2 TRP 92 1HB TRP 92 -11.602 14.106 -0.106 691 HB3 TRP 92 2HB TRP 92 -10.728 15.225 -1.163 692 HD1 TRP 92 HD1 TRP 92 -10.624 11.671 0.109 693 HE1 TRP 92 HE1 TRP 92 -8.700 10.377 -0.927 694 HE3 TRP 92 HE3 TRP 92 -8.260 15.635 -2.090 695 HZ2 TRP 92 HZ2 TRP 92 -6.410 11.003 -2.484 696 HZ3 TRP 92 HZ3 TRP 92 -6.144 15.215 -3.339 697 HH2 TRP 92 HH2 TRP 92 -5.230 12.901 -3.543 698 H VAL 93 H VAL 93 -9.355 17.614 0.306 699 HA VAL 93 HA VAL 93 -11.993 18.792 1.042 700 HB VAL 93 HB VAL 93 -10.775 20.735 2.099 701 HG11 VAL 93 1HG1 VAL 93 -10.386 19.645 4.260 702 HG12 VAL 93 2HG1 VAL 93 -10.330 18.052 3.473 703 HG13 VAL 93 3HG1 VAL 93 -11.841 18.994 3.479 704 HG21 VAL 93 1HG2 VAL 93 -8.368 18.859 2.150 705 HG22 VAL 93 2HG2 VAL 93 -8.475 20.484 2.858 706 HG23 VAL 93 3HG2 VAL 93 -8.520 20.284 1.096 707 H ALA 94 H ALA 94 -12.431 20.772 -0.051 708 HA ALA 94 HA ALA 94 -10.597 21.884 -2.005 709 HB1 ALA 94 1HB ALA 94 -13.053 20.345 -3.044 710 HB2 ALA 94 2HB ALA 94 -11.371 19.814 -3.275 711 HB3 ALA 94 3HB ALA 94 -11.930 21.321 -4.024 712 H THR 95 H THR 95 -11.888 23.689 -3.112 713 HA THR 95 HA THR 95 -14.348 24.434 -1.619 714 HB THR 95 HB THR 95 -12.325 25.656 -0.628 715 HG1 THR 95 HG1 THR 95 -13.411 27.700 -0.808 716 HG21 THR 95 1HG2 THR 95 -11.248 27.386 -1.887 717 HG22 THR 95 2HG2 THR 95 -12.337 27.157 -3.273 718 HG23 THR 95 3HG2 THR 95 -11.139 25.909 -2.864 719 H GLU 96 H GLU 96 -15.268 26.451 -2.978 720 HA GLU 96 HA GLU 96 -15.723 25.386 -5.598 721 HB2 GLU 96 1HB GLU 96 -17.310 26.754 -4.214 722 HB3 GLU 96 2HB GLU 96 -16.324 28.180 -4.570 723 HG2 GLU 96 1HG GLU 96 -16.801 27.968 -6.946 724 HG3 GLU 96 2HG GLU 96 -17.629 26.425 -6.675 725 H GLY 97 H GLY 97 -14.816 25.838 -7.520 726 HA2 GLY 97 1HA GLY 97 -13.684 27.185 -9.097 727 HA3 GLY 97 2HA GLY 97 -13.016 28.166 -7.789 728 H ALA 98 H ALA 98 -12.475 25.211 -6.600 729 HA ALA 98 HA ALA 98 -9.711 25.226 -7.465 730 HB1 ALA 98 1HB ALA 98 -9.415 23.517 -5.867 731 HB2 ALA 98 2HB ALA 98 -11.150 23.109 -5.861 732 HB3 ALA 98 3HB ALA 98 -10.585 24.648 -5.165 733 H LEU 99 H LEU 99 -8.684 23.820 -8.913 734 HA LEU 99 HA LEU 99 -10.534 22.318 -10.678 735 HB2 LEU 99 1HB LEU 99 -7.646 23.171 -10.911 736 HB3 LEU 99 2HB LEU 99 -8.357 21.992 -12.005 737 HG LEU 99 HG LEU 99 -9.283 24.865 -11.699 738 HD11 LEU 99 1HD1 LEU 99 -8.271 25.117 -13.936 739 HD12 LEU 99 2HD1 LEU 99 -7.733 23.419 -13.888 740 HD13 LEU 99 3HD1 LEU 99 -7.062 24.606 -12.740 741 HD21 LEU 99 1HD2 LEU 99 -10.591 24.374 -13.776 742 HD22 LEU 99 2HD2 LEU 99 -11.171 23.480 -12.363 743 HD23 LEU 99 3HD2 LEU 99 -10.183 22.653 -13.595 744 H ASN 100 H ASN 100 -10.477 20.211 -11.087 745 HA ASN 100 HA ASN 100 -9.197 18.521 -9.055 746 HB2 ASN 100 1HB ASN 100 -11.576 18.204 -9.779 747 HB3 ASN 100 2HB ASN 100 -10.991 17.757 -11.388 748 HD21 ASN 100 1HD2 ASN 100 -11.061 14.447 -10.321 749 HD22 ASN 100 2HD2 ASN 100 -11.647 15.664 -11.426 750 H THR 101 H THR 101 -7.042 19.315 -10.005 751 HA THR 101 HA THR 101 -6.154 17.262 -11.974 752 HB THR 101 HB THR 101 -6.548 19.732 -12.921 753 HG1 THR 101 HG1 THR 101 -4.807 19.347 -14.352 754 HG21 THR 101 1HG2 THR 101 -4.580 21.136 -12.806 755 HG22 THR 101 2HG2 THR 101 -3.728 19.932 -11.798 756 HG23 THR 101 3HG2 THR 101 -5.155 20.810 -11.157 757 HA PRO 102 HA PRO 102 -3.039 16.765 -8.893 758 HB2 PRO 102 1HB PRO 102 -0.833 16.075 -10.366 759 HB3 PRO 102 2HB PRO 102 -2.200 14.944 -10.080 760 HG2 PRO 102 1HG PRO 102 -1.621 16.714 -12.444 761 HG3 PRO 102 2HG PRO 102 -2.062 14.975 -12.416 762 HD2 PRO 102 1HD PRO 102 -3.891 16.864 -12.904 763 HD3 PRO 102 2HD PRO 102 -4.293 15.440 -11.889 764 H LYS 103 H LYS 103 -1.309 17.711 -7.873 765 HA LYS 103 HA LYS 103 -0.187 20.183 -9.136 766 HB2 LYS 103 1HB LYS 103 -0.882 19.723 -6.233 767 HB3 LYS 103 2HB LYS 103 -0.442 21.247 -6.983 768 HG2 LYS 103 1HG LYS 103 -2.980 19.701 -7.507 769 HG3 LYS 103 2HG LYS 103 -2.837 21.049 -6.409 770 HD2 LYS 103 1HD LYS 103 -2.136 22.484 -8.322 771 HD3 LYS 103 2HD LYS 103 -2.507 21.137 -9.420 772 HE2 LYS 103 1HE LYS 103 -4.813 21.110 -8.673 773 HE3 LYS 103 2HE LYS 103 -4.446 22.283 -7.396 774 HZ1 LYS 103 1HZ LYS 103 -5.473 23.393 -9.216 775 HZ2 LYS 103 2HZ LYS 103 -4.363 22.822 -10.295 776 HZ3 LYS 103 3HZ LYS 103 -3.910 23.891 -9.131 777 H ASP 104 H ASP 104 1.144 17.457 -8.907 778 HA ASP 104 HA ASP 104 2.862 17.460 -6.639 779 HB2 ASP 104 1HB ASP 104 2.451 15.575 -8.331 780 HB3 ASP 104 2HB ASP 104 3.695 16.359 -9.317 781 H HIS 105 H HIS 105 3.016 19.242 -9.633 782 HA HIS 105 HA HIS 105 5.775 20.010 -9.466 783 HB2 HIS 105 1HB HIS 105 5.172 21.710 -11.121 784 HB3 HIS 105 2HB HIS 105 4.496 20.136 -11.552 785 HD1 HIS 105 HD1 HIS 105 1.848 19.890 -11.438 786 HD2 HIS 105 HD2 HIS 105 3.319 23.699 -10.586 787 HE1 HIS 105 HE1 HIS 105 -0.128 21.463 -11.455 788 H ILE 106 H ILE 106 2.983 20.985 -7.661 789 HA ILE 106 HA ILE 106 4.275 23.512 -6.768 790 HB ILE 106 HB ILE 106 1.602 22.242 -5.888 791 HG12 ILE 106 1HG1 ILE 106 2.102 24.524 -7.844 792 HG13 ILE 106 2HG1 ILE 106 1.634 22.877 -8.284 793 HG21 ILE 106 1HG2 ILE 106 2.717 25.091 -5.485 794 HG22 ILE 106 2HG2 ILE 106 2.631 23.845 -4.223 795 HG23 ILE 106 3HG2 ILE 106 1.141 24.494 -4.914 796 HD11 ILE 106 1HD1 ILE 106 -0.402 23.945 -8.310 797 HD12 ILE 106 2HD1 ILE 106 -0.003 24.995 -6.927 798 HD13 ILE 106 3HD1 ILE 106 -0.372 23.279 -6.653 799 H GLY 107 H GLY 107 3.357 20.239 -5.744 800 HA2 GLY 107 1HA GLY 107 4.124 20.594 -2.991 801 HA3 GLY 107 2HA GLY 107 3.776 19.070 -3.804 802 H THR 108 H THR 108 6.214 20.713 -5.484 803 HA THR 108 HA THR 108 8.206 18.793 -4.522 804 HB THR 108 HB THR 108 7.918 19.318 -6.952 805 HG1 THR 108 HG1 THR 108 10.429 20.054 -5.823 806 HG21 THR 108 1HG2 THR 108 7.472 21.801 -6.654 807 HG22 THR 108 2HG2 THR 108 8.659 21.400 -7.906 808 HG23 THR 108 3HG2 THR 108 9.208 22.009 -6.333 809 H ARG 109 H ARG 109 7.261 20.994 -2.718 810 HA ARG 109 HA ARG 109 9.170 23.053 -2.428 811 HB2 ARG 109 1HB ARG 109 6.933 22.783 -1.263 812 HB3 ARG 109 2HB ARG 109 7.706 21.604 -0.201 813 HG2 ARG 109 1HG ARG 109 9.319 23.406 0.516 814 HG3 ARG 109 2HG ARG 109 8.376 24.549 -0.461 815 HD2 ARG 109 1HD ARG 109 7.528 24.758 1.731 816 HD3 ARG 109 2HD ARG 109 6.354 23.804 0.846 817 HE ARG 109 HE ARG 109 6.761 21.975 2.174 818 HH11 ARG 109 1HH1 ARG 109 9.277 24.366 2.876 819 HH12 ARG 109 2HH1 ARG 109 9.872 23.458 4.241 820 HH21 ARG 109 1HH2 ARG 109 7.512 20.952 3.954 821 HH22 ARG 109 2HH2 ARG 109 8.886 21.565 4.844 822 H ASN 110 H ASN 110 11.180 23.186 -1.652 823 HA ASN 110 HA ASN 110 12.438 20.713 -0.593 824 HB2 ASN 110 1HB ASN 110 13.529 23.275 -1.786 825 HB3 ASN 110 2HB ASN 110 14.553 22.122 -0.927 826 HD21 ASN 110 1HD2 ASN 110 14.942 21.130 -4.380 827 HD22 ASN 110 2HD2 ASN 110 15.468 22.379 -3.278 828 HA PRO 111 HA PRO 111 11.841 22.934 3.256 829 HB2 PRO 111 1HB PRO 111 12.653 21.031 5.021 830 HB3 PRO 111 2HB PRO 111 11.106 20.900 4.122 831 HG2 PRO 111 1HG PRO 111 13.766 19.666 3.481 832 HG3 PRO 111 2HG PRO 111 12.155 18.885 3.594 833 HD2 PRO 111 1HD PRO 111 13.221 19.659 1.230 834 HD3 PRO 111 2HD PRO 111 11.460 19.778 1.541 835 H ALA 112 H ALA 112 14.836 21.767 1.990 836 HA ALA 112 HA ALA 112 16.536 22.872 4.068 837 HB1 ALA 112 1HB ALA 112 17.297 21.065 2.534 838 HB2 ALA 112 2HB ALA 112 18.335 22.506 2.417 839 HB3 ALA 112 3HB ALA 112 17.130 22.180 1.152 840 H ASN 113 H ASN 113 14.785 24.075 1.320 841 HA ASN 113 HA ASN 113 16.394 26.575 1.235 842 HB2 ASN 113 1HB ASN 113 14.290 25.427 -0.640 843 HB3 ASN 113 2HB ASN 113 15.090 26.982 -0.868 844 HD21 ASN 113 1HD2 ASN 113 16.786 24.206 -2.780 845 HD22 ASN 113 2HD2 ASN 113 15.100 24.640 -2.594 846 H ASN 114 H ASN 114 13.133 25.377 1.987 847 HA ASN 114 HA ASN 114 12.347 28.129 2.730 848 HB2 ASN 114 1HB ASN 114 11.119 27.779 0.778 849 HB3 ASN 114 2HB ASN 114 11.073 26.034 1.032 850 HD21 ASN 114 1HD2 ASN 114 8.285 28.348 2.707 851 HD22 ASN 114 2HD2 ASN 114 9.719 28.987 1.915 852 H ALA 115 H ALA 115 10.968 28.309 4.437 853 HA ALA 115 HA ALA 115 10.710 25.943 6.222 854 HB1 ALA 115 1HB ALA 115 11.793 27.957 7.195 855 HB2 ALA 115 2HB ALA 115 10.237 27.613 7.989 856 HB3 ALA 115 3HB ALA 115 10.351 28.924 6.792 857 H ALA 116 H ALA 116 8.705 25.204 6.777 858 HA ALA 116 HA ALA 116 6.508 25.735 5.040 859 HB1 ALA 116 1HB ALA 116 6.566 24.267 7.708 860 HB2 ALA 116 2HB ALA 116 6.876 23.542 6.107 861 HB3 ALA 116 3HB ALA 116 5.270 24.190 6.494 862 H ILE 117 H ILE 117 4.477 26.583 5.464 863 HA ILE 117 HA ILE 117 4.547 28.973 7.195 864 HB ILE 117 HB ILE 117 2.392 27.930 5.292 865 HG12 ILE 117 1HG1 ILE 117 3.871 30.221 4.307 866 HG13 ILE 117 2HG1 ILE 117 4.973 28.881 4.628 867 HG21 ILE 117 1HG2 ILE 117 1.640 30.322 5.217 868 HG22 ILE 117 2HG2 ILE 117 2.834 30.716 6.478 869 HG23 ILE 117 3HG2 ILE 117 1.480 29.613 6.831 870 HD11 ILE 117 1HD1 ILE 117 4.122 28.852 2.306 871 HD12 ILE 117 2HD1 ILE 117 2.458 28.697 2.923 872 HD13 ILE 117 3HD1 ILE 117 3.636 27.398 3.202 873 H VAL 118 H VAL 118 3.199 29.279 9.027 874 HA VAL 118 HA VAL 118 2.147 26.961 10.329 875 HB VAL 118 HB VAL 118 2.687 28.705 11.810 876 HG11 VAL 118 1HG1 VAL 118 1.708 30.998 11.667 877 HG12 VAL 118 2HG1 VAL 118 1.037 30.573 10.076 878 HG13 VAL 118 3HG1 VAL 118 2.800 30.597 10.332 879 HG21 VAL 118 1HG2 VAL 118 0.622 29.262 12.972 880 HG22 VAL 118 2HG2 VAL 118 0.543 27.592 12.384 881 HG23 VAL 118 3HG2 VAL 118 -0.344 28.882 11.535 882 H LEU 119 H LEU 119 0.321 25.879 10.040 883 HA LEU 119 HA LEU 119 -1.415 26.575 7.854 884 HB2 LEU 119 1HB LEU 119 -0.781 24.282 8.751 885 HB3 LEU 119 2HB LEU 119 -1.916 24.556 10.055 886 HG LEU 119 HG LEU 119 -2.800 24.711 7.168 887 HD11 LEU 119 1HD1 LEU 119 -3.197 22.392 7.057 888 HD12 LEU 119 2HD1 LEU 119 -2.865 22.155 8.786 889 HD13 LEU 119 3HD1 LEU 119 -1.537 22.542 7.664 890 HD21 LEU 119 1HD2 LEU 119 -4.541 25.423 8.662 891 HD22 LEU 119 2HD2 LEU 119 -4.216 24.108 9.802 892 HD23 LEU 119 3HD2 LEU 119 -4.948 23.760 8.226 893 H GLN 120 H GLN 120 -3.232 27.729 7.819 894 HA GLN 120 HA GLN 120 -4.655 28.366 10.375 895 HB2 GLN 120 1HB GLN 120 -3.968 30.230 8.083 896 HB3 GLN 120 2HB GLN 120 -5.066 30.634 9.408 897 HG2 GLN 120 1HG GLN 120 -3.362 30.869 10.936 898 HG3 GLN 120 2HG GLN 120 -2.294 29.764 10.071 899 HE21 GLN 120 1HE2 GLN 120 -0.817 32.206 8.062 900 HE22 GLN 120 2HE2 GLN 120 -0.986 30.499 8.423 901 H LEU 121 H LEU 121 -6.951 28.871 9.933 902 HA LEU 121 HA LEU 121 -7.875 27.634 7.370 903 HB2 LEU 121 1HB LEU 121 -8.961 27.569 10.172 904 HB3 LEU 121 2HB LEU 121 -10.074 27.488 8.817 905 HG LEU 121 HG LEU 121 -7.836 25.510 9.334 906 HD11 LEU 121 1HD1 LEU 121 -9.765 24.010 9.885 907 HD12 LEU 121 2HD1 LEU 121 -10.844 25.414 9.750 908 HD13 LEU 121 3HD1 LEU 121 -9.587 25.378 11.002 909 HD21 LEU 121 1HD2 LEU 121 -8.332 25.579 6.943 910 HD22 LEU 121 2HD2 LEU 121 -10.077 25.544 7.257 911 HD23 LEU 121 3HD2 LEU 121 -9.069 24.124 7.626 912 HA PRO 122 HA PRO 122 -9.532 31.599 6.502 913 HB2 PRO 122 1HB PRO 122 -11.427 31.031 4.643 914 HB3 PRO 122 2HB PRO 122 -9.672 30.777 4.314 915 HG2 PRO 122 1HG PRO 122 -11.742 28.800 5.230 916 HG3 PRO 122 2HG PRO 122 -10.608 28.684 3.846 917 HD2 PRO 122 1HD PRO 122 -10.065 27.541 6.220 918 HD3 PRO 122 2HD PRO 122 -8.772 28.301 5.230 919 H GLN 123 H GLN 123 -11.610 32.843 6.338 920 HA GLN 123 HA GLN 123 -13.088 32.676 8.716 921 HB2 GLN 123 1HB GLN 123 -12.901 34.681 7.250 922 HB3 GLN 123 2HB GLN 123 -13.912 33.884 6.041 923 HG2 GLN 123 1HG GLN 123 -15.213 35.507 7.321 924 HG3 GLN 123 2HG GLN 123 -15.810 33.869 7.609 925 HE21 GLN 123 1HE2 GLN 123 -14.307 36.101 10.652 926 HE22 GLN 123 2HE2 GLN 123 -14.282 36.666 9.000 927 H GLY 124 H GLY 124 -14.938 31.699 9.345 928 HA2 GLY 124 1HA GLY 124 -16.934 30.498 9.079 929 HA3 GLY 124 2HA GLY 124 -16.574 30.253 7.366 930 H THR 125 H THR 125 -13.716 29.288 8.296 931 HA THR 125 HA THR 125 -14.707 26.541 8.949 932 HB THR 125 HB THR 125 -11.998 27.176 7.750 933 HG1 THR 125 HG1 THR 125 -13.685 28.025 6.413 934 HG21 THR 125 1HG2 THR 125 -12.555 24.864 8.705 935 HG22 THR 125 2HG2 THR 125 -12.120 24.890 6.991 936 HG23 THR 125 3HG2 THR 125 -13.816 24.744 7.470 937 H THR 126 H THR 126 -14.133 25.588 10.775 938 HA THR 126 HA THR 126 -11.924 26.785 12.386 939 HB THR 126 HB THR 126 -13.394 25.921 14.368 940 HG1 THR 126 HG1 THR 126 -15.537 26.538 12.660 941 HG21 THR 126 1HG2 THR 126 -14.625 28.054 14.462 942 HG22 THR 126 2HG2 THR 126 -14.258 28.348 12.744 943 HG23 THR 126 3HG2 THR 126 -12.943 28.302 13.942 944 H LEU 127 H LEU 127 -10.698 25.315 13.592 945 HA LEU 127 HA LEU 127 -10.463 22.672 12.441 946 HB2 LEU 127 1HB LEU 127 -9.344 23.831 15.000 947 HB3 LEU 127 2HB LEU 127 -8.895 22.278 14.362 948 HG LEU 127 HG LEU 127 -8.347 24.884 12.919 949 HD11 LEU 127 1HD1 LEU 127 -6.034 24.615 13.698 950 HD12 LEU 127 2HD1 LEU 127 -6.505 23.176 14.635 951 HD13 LEU 127 3HD1 LEU 127 -7.148 24.774 15.074 952 HD21 LEU 127 1HD2 LEU 127 -6.767 23.497 11.612 953 HD22 LEU 127 2HD2 LEU 127 -8.425 22.891 11.453 954 HD23 LEU 127 3HD2 LEU 127 -7.276 22.052 12.518 955 HA PRO 128 HA PRO 128 -13.442 20.758 15.015 956 HB2 PRO 128 1HB PRO 128 -12.604 18.172 15.193 957 HB3 PRO 128 2HB PRO 128 -13.157 18.886 13.643 958 HG2 PRO 128 1HG PRO 128 -10.386 18.482 14.667 959 HG3 PRO 128 2HG PRO 128 -11.071 18.104 13.061 960 HD2 PRO 128 1HD PRO 128 -9.621 20.367 13.600 961 HD3 PRO 128 2HD PRO 128 -10.904 20.330 12.362 962 H LYS 129 H LYS 129 -13.730 19.501 17.102 963 HA LYS 129 HA LYS 129 -12.247 20.732 19.193 964 HB2 LYS 129 1HB LYS 129 -14.556 19.760 19.366 965 HB3 LYS 129 2HB LYS 129 -13.843 18.142 19.284 966 HG2 LYS 129 1HG LYS 129 -12.621 18.556 21.373 967 HG3 LYS 129 2HG LYS 129 -13.280 20.206 21.441 968 HD2 LYS 129 1HD LYS 129 -15.566 19.274 21.519 969 HD3 LYS 129 2HD LYS 129 -14.888 17.632 21.497 970 HE2 LYS 129 1HE LYS 129 -13.688 18.100 23.611 971 HE3 LYS 129 2HE LYS 129 -14.371 19.741 23.633 972 HZ1 LYS 129 1HZ LYS 129 -16.578 18.757 23.771 973 HZ2 LYS 129 2HZ LYS 129 -15.644 18.225 25.023 974 HZ3 LYS 129 3HZ LYS 129 -15.949 17.232 23.741 975 H GLY 130 H GLY 130 -10.315 20.241 20.080 976 HA2 GLY 130 1HA GLY 130 -8.635 18.804 20.878 977 HA3 GLY 130 2HA GLY 130 -9.329 17.480 19.944 978 H PHE 131 H PHE 131 -8.741 20.493 18.252 979 HA PHE 131 HA PHE 131 -6.163 19.399 17.226 980 HB2 PHE 131 1HB PHE 131 -8.667 20.039 15.795 981 HB3 PHE 131 2HB PHE 131 -7.208 20.734 15.088 982 HD1 PHE 131 HD1 PHE 131 -5.753 19.457 13.817 983 HD2 PHE 131 HD2 PHE 131 -8.714 17.506 16.224 984 HE1 PHE 131 HE1 PHE 131 -5.133 17.281 12.778 985 HE2 PHE 131 HE2 PHE 131 -8.136 15.333 15.186 986 HZ PHE 131 HZ PHE 131 -6.326 15.211 13.465 987 H TYR 132 H TYR 132 -4.580 20.833 16.841 988 HA TYR 132 HA TYR 132 -5.174 23.701 16.653 989 HB2 TYR 132 1HB TYR 132 -3.651 24.391 18.392 990 HB3 TYR 132 2HB TYR 132 -4.902 23.370 19.096 991 HD1 TYR 132 HD1 TYR 132 -1.300 23.624 18.243 992 HD2 TYR 132 HD2 TYR 132 -4.338 21.147 20.035 993 HE1 TYR 132 HE1 TYR 132 0.461 22.220 19.306 994 HE2 TYR 132 HE2 TYR 132 -2.566 19.764 21.109 995 HH TYR 132 HH TYR 132 -0.324 19.502 21.475 996 H ALA 133 H ALA 133 -3.078 24.864 16.021 997 HA ALA 133 HA ALA 133 -1.583 23.012 14.241 998 HB1 ALA 133 1HB ALA 133 -2.953 24.698 13.085 999 HB2 ALA 133 2HB ALA 133 -1.224 25.006 12.813 1000 HB3 ALA 133 3HB ALA 133 -2.131 25.997 13.973 1001 H GLU 134 H GLU 134 0.578 23.119 13.945 1002 HA GLU 134 HA GLU 134 2.219 23.982 16.180 1003 HB2 GLU 134 1HB GLU 134 2.736 21.976 14.916 1004 HB3 GLU 134 2HB GLU 134 2.737 22.866 13.409 1005 HG2 GLU 134 1HG GLU 134 4.980 22.421 13.848 1006 HG3 GLU 134 2HG GLU 134 4.775 24.125 14.268 1007 H GLY 135 H GLY 135 3.632 25.711 16.296 1008 HA2 GLY 135 1HA GLY 135 4.859 27.537 15.450 1009 HA3 GLY 135 2HA GLY 135 3.921 27.496 13.954 1010 H SER 136 H SER 136 1.302 27.587 15.113 1011 HA SER 136 HA SER 136 0.986 30.371 15.488 1012 HB2 SER 136 1HB SER 136 -1.273 29.034 16.524 1013 HB3 SER 136 2HB SER 136 -1.060 29.661 14.873 1014 HG SER 136 HG SER 136 -0.495 27.048 15.859 1015 H ARG 137 H ARG 137 0.796 31.578 17.200 1016 HA ARG 137 HA ARG 137 0.721 30.343 19.913 1017 HB2 ARG 137 1HB ARG 137 2.231 32.860 19.106 1018 HB3 ARG 137 2HB ARG 137 2.115 32.163 20.724 1019 HG2 ARG 137 1HG ARG 137 3.142 30.027 19.456 1020 HG3 ARG 137 2HG ARG 137 3.755 31.295 18.379 1021 HD2 ARG 137 1HD ARG 137 4.194 31.003 21.360 1022 HD3 ARG 137 2HD ARG 137 5.409 30.849 20.082 1023 HE ARG 137 HE ARG 137 5.115 33.279 19.648 1024 HH11 ARG 137 1HH1 ARG 137 4.058 32.090 22.806 1025 HH12 ARG 137 2HH1 ARG 137 4.192 33.673 23.544 1026 HH21 ARG 137 1HH2 ARG 137 5.239 35.256 20.677 1027 HH22 ARG 137 2HH2 ARG 137 4.793 35.411 22.368 1028 H GLY 138 H GLY 138 -0.826 31.286 21.215 1029 HA2 GLY 138 1HA GLY 138 -2.797 32.934 19.862 1030 HA3 GLY 138 2HA GLY 138 -2.873 32.317 21.517 1031 H GLY 139 H GLY 139 -0.197 33.502 22.089 1032 HA2 GLY 139 1HA GLY 139 -0.062 36.257 21.822 1033 HA3 GLY 139 2HA GLY 139 -1.183 35.976 23.182 1034 H SER 140 H SER 140 0.622 37.034 24.411 1035 HA SER 140 HA SER 140 2.412 36.983 25.833 1036 HB2 SER 140 1HB SER 140 1.949 33.983 25.892 1037 HB3 SER 140 2HB SER 140 2.753 34.972 27.131 1038 HG SER 140 HG SER 140 0.040 35.182 26.298 Start of MODEL 32 1 H1 GLY 1 1H GLY 1 13.751 -0.925 -10.598 2 H2 GLY 1 2H GLY 1 15.175 -1.510 -11.193 3 H3 GLY 1 3H GLY 1 13.886 -1.291 -12.201 4 HA2 GLY 1 1HA GLY 1 15.339 0.846 -10.796 5 HA3 GLY 1 2HA GLY 1 15.508 0.447 -12.518 6 H ALA 2 H ALA 2 14.746 3.027 -11.666 7 HA ALA 2 HA ALA 2 13.156 4.631 -11.842 8 HB1 ALA 2 1HB ALA 2 13.251 3.697 -14.194 9 HB2 ALA 2 2HB ALA 2 11.752 4.555 -13.779 10 HB3 ALA 2 3HB ALA 2 11.780 2.772 -13.816 11 H MET 3 H MET 3 10.326 4.360 -12.366 12 HA MET 3 HA MET 3 8.373 4.203 -11.182 13 HB2 MET 3 1HB MET 3 9.481 1.519 -10.301 14 HB3 MET 3 2HB MET 3 7.786 2.014 -10.288 15 HG2 MET 3 1HG MET 3 7.841 2.239 -12.754 16 HG3 MET 3 2HG MET 3 9.525 1.689 -12.759 17 HE1 MET 3 1HE MET 3 9.310 -2.062 -11.827 18 HE2 MET 3 2HE MET 3 9.720 -0.721 -10.732 19 HE3 MET 3 3HE MET 3 10.327 -0.720 -12.406 20 H GLY 4 H GLY 4 10.502 5.596 -9.842 21 HA2 GLY 4 1HA GLY 4 9.425 5.783 -7.212 22 HA3 GLY 4 2HA GLY 4 10.976 4.901 -7.197 23 H LEU 5 H LEU 5 9.591 7.893 -7.040 24 HA LEU 5 HA LEU 5 11.997 9.295 -8.127 25 HB2 LEU 5 1HB LEU 5 9.197 10.318 -7.545 26 HB3 LEU 5 2HB LEU 5 10.524 11.302 -8.137 27 HG LEU 5 HG LEU 5 9.273 8.988 -9.659 28 HD11 LEU 5 1HD1 LEU 5 8.223 10.743 -11.031 29 HD12 LEU 5 2HD1 LEU 5 8.904 11.996 -9.966 30 HD13 LEU 5 3HD1 LEU 5 7.695 10.847 -9.340 31 HD21 LEU 5 1HD2 LEU 5 10.481 9.968 -11.604 32 HD22 LEU 5 2HD2 LEU 5 11.591 9.381 -10.350 33 HD23 LEU 5 3HD2 LEU 5 11.274 11.126 -10.512 34 HA PRO 6 HA PRO 6 12.937 10.076 -3.960 35 HB2 PRO 6 1HB PRO 6 14.128 12.543 -3.904 36 HB3 PRO 6 2HB PRO 6 14.911 11.107 -4.640 37 HG2 PRO 6 1HG PRO 6 13.314 13.282 -5.990 38 HG3 PRO 6 2HG PRO 6 14.942 12.656 -6.409 39 HD2 PRO 6 1HD PRO 6 12.739 11.782 -7.687 40 HD3 PRO 6 2HD PRO 6 14.072 10.649 -7.268 41 H ASN 7 H ASN 7 11.995 10.839 -2.107 42 HA ASN 7 HA ASN 7 9.645 12.553 -2.482 43 HB2 ASN 7 1HB ASN 7 9.598 10.374 -1.186 44 HB3 ASN 7 2HB ASN 7 10.547 11.181 0.070 45 HD21 ASN 7 1HD2 ASN 7 6.711 11.398 0.423 46 HD22 ASN 7 2HD2 ASN 7 7.680 10.087 -0.232 47 H ASN 8 H ASN 8 10.857 14.431 -2.966 48 HA ASN 8 HA ASN 8 11.903 15.813 -0.507 49 HB2 ASN 8 1HB ASN 8 13.210 15.603 -2.854 50 HB3 ASN 8 2HB ASN 8 12.216 17.016 -3.238 51 HD21 ASN 8 1HD2 ASN 8 15.458 17.298 -0.850 52 HD22 ASN 8 2HD2 ASN 8 14.957 15.808 -1.611 53 H THR 9 H THR 9 9.138 15.138 -1.343 54 HA THR 9 HA THR 9 7.975 17.749 -2.109 55 HB THR 9 HB THR 9 5.828 16.307 -2.130 56 HG1 THR 9 HG1 THR 9 6.903 14.598 -0.869 57 HG21 THR 9 1HG2 THR 9 6.406 15.219 -4.291 58 HG22 THR 9 2HG2 THR 9 8.123 15.563 -3.997 59 HG23 THR 9 3HG2 THR 9 6.970 16.900 -4.220 60 H ALA 10 H ALA 10 8.277 18.906 -0.199 61 HA ALA 10 HA ALA 10 7.198 17.735 2.281 62 HB1 ALA 10 1HB ALA 10 9.430 18.782 2.250 63 HB2 ALA 10 2HB ALA 10 8.304 19.605 3.356 64 HB3 ALA 10 3HB ALA 10 8.681 20.330 1.769 65 H SER 11 H SER 11 5.513 18.578 3.357 66 HA SER 11 HA SER 11 3.399 19.809 1.939 67 HB2 SER 11 1HB SER 11 2.406 20.173 4.199 68 HB3 SER 11 2HB SER 11 3.038 18.530 3.998 69 HG SER 11 HG SER 11 3.874 20.565 5.669 70 H TRP 12 H TRP 12 2.702 21.891 1.745 71 HA TRP 12 HA TRP 12 4.624 23.986 2.000 72 HB2 TRP 12 1HB TRP 12 1.808 23.801 1.101 73 HB3 TRP 12 2HB TRP 12 2.370 25.386 1.668 74 HD1 TRP 12 HD1 TRP 12 2.810 22.954 -1.211 75 HE1 TRP 12 HE1 TRP 12 4.310 23.924 -3.026 76 HE3 TRP 12 HE3 TRP 12 4.485 27.024 1.389 77 HZ2 TRP 12 HZ2 TRP 12 6.035 26.173 -3.309 78 HZ3 TRP 12 HZ3 TRP 12 6.148 28.550 0.286 79 HH2 TRP 12 HH2 TRP 12 6.887 28.125 -2.054 80 H PHE 13 H PHE 13 2.292 22.695 4.189 81 HA PHE 13 HA PHE 13 2.699 25.058 5.970 82 HB2 PHE 13 1HB PHE 13 0.339 23.148 5.814 83 HB3 PHE 13 2HB PHE 13 0.485 24.553 6.874 84 HD1 PHE 13 HD1 PHE 13 -0.212 23.388 3.475 85 HD2 PHE 13 HD2 PHE 13 0.317 26.823 5.996 86 HE1 PHE 13 HE1 PHE 13 -1.297 24.809 1.748 87 HE2 PHE 13 HE2 PHE 13 -0.735 28.253 4.277 88 HZ PHE 13 HZ PHE 13 -1.584 27.242 2.155 89 H THR 14 H THR 14 2.476 24.649 8.229 90 HA THR 14 HA THR 14 3.945 22.316 9.121 91 HB THR 14 HB THR 14 3.475 23.185 11.392 92 HG1 THR 14 HG1 THR 14 2.127 24.904 11.700 93 HG21 THR 14 1HG2 THR 14 4.218 25.430 9.488 94 HG22 THR 14 2HG2 THR 14 5.331 24.190 10.108 95 HG23 THR 14 3HG2 THR 14 4.580 25.349 11.223 96 H ALA 15 H ALA 15 2.999 20.881 10.858 97 HA ALA 15 HA ALA 15 0.597 19.716 9.757 98 HB1 ALA 15 1HB ALA 15 2.435 18.337 10.572 99 HB2 ALA 15 2HB ALA 15 0.956 18.000 11.475 100 HB3 ALA 15 3HB ALA 15 2.232 18.997 12.209 101 H LEU 16 H LEU 16 -1.298 19.206 10.835 102 HA LEU 16 HA LEU 16 -2.087 20.996 13.089 103 HB2 LEU 16 1HB LEU 16 -3.550 18.994 11.326 104 HB3 LEU 16 2HB LEU 16 -4.246 19.652 12.791 105 HG LEU 16 HG LEU 16 -3.498 21.265 10.361 106 HD11 LEU 16 1HD1 LEU 16 -5.933 21.494 10.105 107 HD12 LEU 16 2HD1 LEU 16 -6.192 20.454 11.528 108 HD13 LEU 16 3HD1 LEU 16 -5.454 19.786 10.055 109 HD21 LEU 16 1HD2 LEU 16 -4.823 23.049 11.614 110 HD22 LEU 16 2HD2 LEU 16 -3.224 22.667 12.274 111 HD23 LEU 16 3HD2 LEU 16 -4.689 22.021 13.055 112 H THR 17 H THR 17 -2.622 19.995 15.117 113 HA THR 17 HA THR 17 -1.502 17.228 15.383 114 HB THR 17 HB THR 17 -1.359 19.489 17.409 115 HG1 THR 17 HG1 THR 17 0.027 19.966 15.751 116 HG21 THR 17 1HG2 THR 17 0.354 17.973 18.422 117 HG22 THR 17 2HG2 THR 17 -0.162 16.706 17.286 118 HG23 THR 17 3HG2 THR 17 -1.309 17.350 18.494 119 H GLN 18 H GLN 18 -2.772 15.759 16.239 120 HA GLN 18 HA GLN 18 -5.490 16.550 17.078 121 HB2 GLN 18 1HB GLN 18 -4.959 14.691 15.438 122 HB3 GLN 18 2HB GLN 18 -4.231 13.789 16.753 123 HG2 GLN 18 1HG GLN 18 -7.055 14.732 17.138 124 HG3 GLN 18 2HG GLN 18 -6.779 13.465 15.946 125 HE21 GLN 18 1HE2 GLN 18 -7.470 11.368 18.705 126 HE22 GLN 18 2HE2 GLN 18 -8.155 12.193 17.310 127 H HIS 19 H HIS 19 -6.177 16.660 19.132 128 HA HIS 19 HA HIS 19 -5.049 14.633 20.992 129 HB2 HIS 19 1HB HIS 19 -3.927 16.803 21.480 130 HB3 HIS 19 2HB HIS 19 -5.510 17.558 21.689 131 HD1 HIS 19 HD1 HIS 19 -3.068 15.248 23.408 132 HD2 HIS 19 HD2 HIS 19 -6.855 16.863 24.050 133 HE1 HIS 19 HE1 HIS 19 -3.651 14.815 25.835 134 H GLY 20 H GLY 20 -6.944 13.368 20.903 135 HA2 GLY 20 1HA GLY 20 -9.195 13.997 22.354 136 HA3 GLY 20 2HA GLY 20 -9.508 14.748 20.785 137 H LYS 21 H LYS 21 -11.157 13.510 20.059 138 HA LYS 21 HA LYS 21 -10.637 10.574 19.860 139 HB2 LYS 21 1HB LYS 21 -13.239 12.101 20.163 140 HB3 LYS 21 2HB LYS 21 -13.142 10.384 19.785 141 HG2 LYS 21 1HG LYS 21 -12.039 11.674 22.315 142 HG3 LYS 21 2HG LYS 21 -13.577 10.803 22.190 143 HD2 LYS 21 1HD LYS 21 -12.322 8.754 21.480 144 HD3 LYS 21 2HD LYS 21 -10.800 9.631 21.738 145 HE2 LYS 21 1HE LYS 21 -11.424 9.993 24.111 146 HE3 LYS 21 2HE LYS 21 -12.909 9.049 23.849 147 HZ1 LYS 21 1HZ LYS 21 -11.134 7.686 24.774 148 HZ2 LYS 21 2HZ LYS 21 -10.143 8.031 23.500 149 HZ3 LYS 21 3HZ LYS 21 -11.518 7.152 23.260 150 H GLU 22 H GLU 22 -11.603 13.420 17.983 151 HA GLU 22 HA GLU 22 -12.381 11.784 15.689 152 HB2 GLU 22 1HB GLU 22 -11.586 14.705 15.828 153 HB3 GLU 22 2HB GLU 22 -12.341 13.906 14.460 154 HG2 GLU 22 1HG GLU 22 -14.339 13.450 15.825 155 HG3 GLU 22 2HG GLU 22 -13.602 14.318 17.185 156 H ASP 23 H ASP 23 -11.083 11.588 13.791 157 HA ASP 23 HA ASP 23 -8.211 11.361 14.388 158 HB2 ASP 23 1HB ASP 23 -10.007 10.175 12.521 159 HB3 ASP 23 2HB ASP 23 -8.815 11.067 11.571 160 H LEU 24 H LEU 24 -10.161 12.942 11.904 161 HA LEU 24 HA LEU 24 -9.540 15.615 12.384 162 HB2 LEU 24 1HB LEU 24 -7.230 15.189 11.529 163 HB3 LEU 24 2HB LEU 24 -7.903 14.426 10.091 164 HG LEU 24 HG LEU 24 -8.845 16.555 9.349 165 HD11 LEU 24 1HD1 LEU 24 -7.697 17.697 11.916 166 HD12 LEU 24 2HD1 LEU 24 -9.386 17.709 11.377 167 HD13 LEU 24 3HD1 LEU 24 -8.190 18.682 10.524 168 HD21 LEU 24 1HD2 LEU 24 -6.788 17.749 8.874 169 HD22 LEU 24 2HD2 LEU 24 -6.530 15.998 8.759 170 HD23 LEU 24 3HD2 LEU 24 -5.961 16.884 10.191 171 H LYS 25 H LYS 25 -11.235 16.623 11.210 172 HA LYS 25 HA LYS 25 -12.189 15.325 8.761 173 HB2 LYS 25 1HB LYS 25 -13.255 14.199 10.863 174 HB3 LYS 25 2HB LYS 25 -14.166 15.696 11.048 175 HG2 LYS 25 1HG LYS 25 -14.179 14.245 8.405 176 HG3 LYS 25 2HG LYS 25 -15.158 13.623 9.744 177 HD2 LYS 25 1HD LYS 25 -16.362 15.736 9.916 178 HD3 LYS 25 2HD LYS 25 -15.328 16.452 8.672 179 HE2 LYS 25 1HE LYS 25 -16.095 14.556 7.135 180 HE3 LYS 25 2HE LYS 25 -17.368 14.253 8.343 181 HZ1 LYS 25 1HZ LYS 25 -18.137 15.771 6.646 182 HZ2 LYS 25 2HZ LYS 25 -16.870 16.801 6.909 183 HZ3 LYS 25 3HZ LYS 25 -18.025 16.590 8.075 184 H PHE 26 H PHE 26 -12.936 16.860 7.388 185 HA PHE 26 HA PHE 26 -13.712 19.483 8.599 186 HB2 PHE 26 1HB PHE 26 -12.099 18.879 6.111 187 HB3 PHE 26 2HB PHE 26 -12.891 20.434 6.377 188 HD1 PHE 26 HD1 PHE 26 -12.495 21.115 9.127 189 HD2 PHE 26 HD2 PHE 26 -9.736 19.151 6.435 190 HE1 PHE 26 HE1 PHE 26 -10.600 21.917 10.485 191 HE2 PHE 26 HE2 PHE 26 -7.851 19.930 7.846 192 HZ PHE 26 HZ PHE 26 -8.269 21.326 9.856 193 HA PRO 27 HA PRO 27 -17.438 18.985 6.257 194 HB2 PRO 27 1HB PRO 27 -18.288 21.572 5.965 195 HB3 PRO 27 2HB PRO 27 -18.325 20.717 7.537 196 HG2 PRO 27 1HG PRO 27 -16.383 22.691 6.524 197 HG3 PRO 27 2HG PRO 27 -17.101 22.530 8.135 198 HD2 PRO 27 1HD PRO 27 -14.577 21.661 7.447 199 HD3 PRO 27 2HD PRO 27 -15.556 20.962 8.783 200 H ARG 28 H ARG 28 -18.381 19.396 4.097 201 HA ARG 28 HA ARG 28 -16.330 19.475 2.057 202 HB2 ARG 28 1HB ARG 28 -18.439 18.106 1.939 203 HB3 ARG 28 2HB ARG 28 -19.368 19.602 1.811 204 HG2 ARG 28 1HG ARG 28 -19.209 18.741 -0.394 205 HG3 ARG 28 2HG ARG 28 -18.084 20.103 -0.331 206 HD2 ARG 28 1HD ARG 28 -16.207 18.487 0.051 207 HD3 ARG 28 2HD ARG 28 -17.357 17.149 -0.118 208 HE ARG 28 HE ARG 28 -16.256 18.858 -2.238 209 HH11 ARG 28 1HH1 ARG 28 -18.777 16.501 -1.461 210 HH12 ARG 28 2HH1 ARG 28 -19.046 16.109 -3.138 211 HH21 ARG 28 1HH2 ARG 28 -16.664 18.303 -4.343 212 HH22 ARG 28 2HH2 ARG 28 -17.875 17.113 -4.734 213 H GLY 29 H GLY 29 -15.787 21.121 0.631 214 HA2 GLY 29 1HA GLY 29 -15.992 23.194 -0.443 215 HA3 GLY 29 2HA GLY 29 -17.393 23.583 0.574 216 H GLN 30 H GLN 30 -15.047 22.305 2.516 217 HA GLN 30 HA GLN 30 -13.700 24.870 3.150 218 HB2 GLN 30 1HB GLN 30 -15.739 23.344 4.732 219 HB3 GLN 30 2HB GLN 30 -14.427 24.114 5.611 220 HG2 GLN 30 1HG GLN 30 -15.063 26.278 4.735 221 HG3 GLN 30 2HG GLN 30 -16.374 25.526 3.801 222 HE21 GLN 30 1HE2 GLN 30 -16.700 25.964 7.851 223 HE22 GLN 30 2HE2 GLN 30 -15.126 26.104 7.061 224 H GLY 31 H GLY 31 -12.312 24.317 5.232 225 HA2 GLY 31 1HA GLY 31 -11.074 22.699 6.461 226 HA3 GLY 31 2HA GLY 31 -11.371 21.506 5.188 227 H VAL 32 H VAL 32 -10.756 23.714 3.206 228 HA VAL 32 HA VAL 32 -7.973 23.092 2.846 229 HB VAL 32 HB VAL 32 -9.749 25.320 1.668 230 HG11 VAL 32 1HG1 VAL 32 -8.053 25.377 -0.160 231 HG12 VAL 32 2HG1 VAL 32 -7.013 24.323 0.808 232 HG13 VAL 32 3HG1 VAL 32 -7.444 25.952 1.391 233 HG21 VAL 32 1HG2 VAL 32 -10.603 23.074 1.112 234 HG22 VAL 32 2HG2 VAL 32 -8.994 22.598 0.514 235 HG23 VAL 32 3HG2 VAL 32 -9.921 23.855 -0.330 236 HA PRO 33 HA PRO 33 -6.700 26.196 5.781 237 HB2 PRO 33 1HB PRO 33 -4.008 25.957 5.474 238 HB3 PRO 33 2HB PRO 33 -5.001 24.692 6.264 239 HG2 PRO 33 1HG PRO 33 -4.030 24.835 3.461 240 HG3 PRO 33 2HG PRO 33 -3.942 23.483 4.617 241 HD2 PRO 33 1HD PRO 33 -5.830 23.541 2.765 242 HD3 PRO 33 2HD PRO 33 -6.120 22.910 4.404 243 H ILE 34 H ILE 34 -5.364 28.198 5.789 244 HA ILE 34 HA ILE 34 -6.005 29.779 3.469 245 HB ILE 34 HB ILE 34 -4.223 30.397 5.857 246 HG12 ILE 34 1HG1 ILE 34 -7.058 31.238 5.166 247 HG13 ILE 34 2HG1 ILE 34 -6.623 29.977 6.317 248 HG21 ILE 34 1HG2 ILE 34 -5.339 32.324 3.760 249 HG22 ILE 34 2HG2 ILE 34 -3.636 31.814 3.863 250 HG23 ILE 34 3HG2 ILE 34 -4.345 32.755 5.172 251 HD11 ILE 34 1HD1 ILE 34 -5.383 31.676 7.635 252 HD12 ILE 34 2HD1 ILE 34 -7.132 31.940 7.538 253 HD13 ILE 34 3HD1 ILE 34 -6.043 32.915 6.539 254 H ASN 35 H ASN 35 -5.071 29.621 1.662 255 HA ASN 35 HA ASN 35 -2.250 28.756 1.452 256 HB2 ASN 35 1HB ASN 35 -4.594 28.861 -0.338 257 HB3 ASN 35 2HB ASN 35 -2.998 28.872 -1.060 258 HD21 ASN 35 1HD2 ASN 35 -4.641 25.437 -0.079 259 HD22 ASN 35 2HD2 ASN 35 -5.491 26.944 -0.330 260 H THR 36 H THR 36 -0.945 30.403 1.842 261 HA THR 36 HA THR 36 -1.554 33.105 0.964 262 HB THR 36 HB THR 36 0.651 33.613 1.977 263 HG1 THR 36 HG1 THR 36 1.960 31.941 2.651 264 HG21 THR 36 1HG2 THR 36 0.194 32.890 4.228 265 HG22 THR 36 2HG2 THR 36 -0.771 31.514 3.651 266 HG23 THR 36 3HG2 THR 36 -1.373 33.178 3.441 267 H ASN 37 H ASN 37 0.125 30.418 -0.412 268 HA ASN 37 HA ASN 37 1.567 32.211 -2.293 269 HB2 ASN 37 1HB ASN 37 3.258 30.510 -2.423 270 HB3 ASN 37 2HB ASN 37 2.958 30.831 -0.716 271 HD21 ASN 37 1HD2 ASN 37 1.613 27.612 -0.066 272 HD22 ASN 37 2HD2 ASN 37 1.718 29.269 0.487 273 H SER 38 H SER 38 -1.121 30.411 -2.346 274 HA SER 38 HA SER 38 -0.461 29.021 -4.872 275 HB2 SER 38 1HB SER 38 -2.910 28.387 -3.319 276 HB3 SER 38 2HB SER 38 -1.786 27.314 -4.182 277 HG SER 38 HG SER 38 -0.510 27.259 -2.477 278 H SER 39 H SER 39 -1.960 28.755 -6.458 279 HA SER 39 HA SER 39 -3.510 31.136 -7.110 280 HB2 SER 39 1HB SER 39 -3.160 28.455 -8.510 281 HB3 SER 39 2HB SER 39 -3.867 29.911 -9.240 282 HG SER 39 HG SER 39 -1.785 30.931 -8.706 283 HA PRO 40 HA PRO 40 -7.331 29.708 -5.600 284 HB2 PRO 40 1HB PRO 40 -9.235 30.201 -7.501 285 HB3 PRO 40 2HB PRO 40 -8.402 31.510 -6.601 286 HG2 PRO 40 1HG PRO 40 -7.727 30.374 -9.310 287 HG3 PRO 40 2HG PRO 40 -8.005 32.082 -8.847 288 HD2 PRO 40 1HD PRO 40 -5.520 31.120 -8.999 289 HD3 PRO 40 2HD PRO 40 -5.979 32.205 -7.640 290 H ASP 41 H ASP 41 -6.360 28.294 -8.688 291 HA ASP 41 HA ASP 41 -8.382 26.221 -8.628 292 HB2 ASP 41 1HB ASP 41 -7.204 25.239 -10.434 293 HB3 ASP 41 2HB ASP 41 -7.146 26.987 -10.694 294 H ASP 42 H ASP 42 -5.395 26.776 -7.004 295 HA ASP 42 HA ASP 42 -4.761 23.942 -6.597 296 HB2 ASP 42 1HB ASP 42 -3.053 25.692 -7.088 297 HB3 ASP 42 2HB ASP 42 -3.393 26.411 -5.516 298 H GLN 43 H GLN 43 -6.951 25.895 -5.107 299 HA GLN 43 HA GLN 43 -6.297 25.534 -2.350 300 HB2 GLN 43 1HB GLN 43 -9.001 25.811 -3.697 301 HB3 GLN 43 2HB GLN 43 -8.688 26.041 -1.977 302 HG2 GLN 43 1HG GLN 43 -7.613 27.716 -4.264 303 HG3 GLN 43 2HG GLN 43 -8.809 28.211 -3.069 304 HE21 GLN 43 1HE2 GLN 43 -4.964 28.915 -2.424 305 HE22 GLN 43 2HE2 GLN 43 -5.672 28.547 -3.979 306 H ILE 44 H ILE 44 -7.749 23.370 -4.689 307 HA ILE 44 HA ILE 44 -8.862 21.477 -2.865 308 HB ILE 44 HB ILE 44 -9.462 21.626 -5.237 309 HG12 ILE 44 1HG1 ILE 44 -8.297 18.886 -4.830 310 HG13 ILE 44 2HG1 ILE 44 -9.620 19.486 -3.829 311 HG21 ILE 44 1HG2 ILE 44 -7.261 22.147 -6.198 312 HG22 ILE 44 2HG2 ILE 44 -7.988 20.751 -6.993 313 HG23 ILE 44 3HG2 ILE 44 -6.693 20.513 -5.814 314 HD11 ILE 44 1HD1 ILE 44 -9.670 19.221 -6.860 315 HD12 ILE 44 2HD1 ILE 44 -10.980 19.899 -5.868 316 HD13 ILE 44 3HD1 ILE 44 -10.522 18.197 -5.694 317 H GLY 45 H GLY 45 -8.085 19.652 -1.879 318 HA2 GLY 45 1HA GLY 45 -5.604 18.416 -2.428 319 HA3 GLY 45 2HA GLY 45 -5.302 19.669 -1.215 320 H TYR 46 H TYR 46 -4.684 17.920 0.230 321 HA TYR 46 HA TYR 46 -7.025 16.979 1.739 322 HB2 TYR 46 1HB TYR 46 -6.476 14.638 1.611 323 HB3 TYR 46 2HB TYR 46 -6.625 15.235 -0.035 324 HD1 TYR 46 HD1 TYR 46 -4.391 13.963 2.555 325 HD2 TYR 46 HD2 TYR 46 -4.599 15.481 -1.461 326 HE1 TYR 46 HE1 TYR 46 -2.066 13.124 2.081 327 HE2 TYR 46 HE2 TYR 46 -2.296 14.635 -1.920 328 HH TYR 46 HH TYR 46 -0.331 13.029 0.568 329 H TYR 47 H TYR 47 -6.249 15.785 3.768 330 HA TYR 47 HA TYR 47 -3.524 16.796 4.537 331 HB2 TYR 47 1HB TYR 47 -5.914 16.156 6.266 332 HB3 TYR 47 2HB TYR 47 -4.310 16.459 6.885 333 HD1 TYR 47 HD1 TYR 47 -3.859 18.551 7.741 334 HD2 TYR 47 HD2 TYR 47 -6.824 18.243 4.624 335 HE1 TYR 47 HE1 TYR 47 -4.419 20.956 8.000 336 HE2 TYR 47 HE2 TYR 47 -7.350 20.639 4.904 337 HH TYR 47 HH TYR 47 -7.026 22.518 6.153 338 H ARG 48 H ARG 48 -2.058 15.347 5.247 339 HA ARG 48 HA ARG 48 -2.786 12.446 5.053 340 HB2 ARG 48 1HB ARG 48 -0.831 13.826 3.743 341 HB3 ARG 48 2HB ARG 48 0.062 13.437 5.205 342 HG2 ARG 48 1HG ARG 48 -1.143 11.478 3.225 343 HG3 ARG 48 2HG ARG 48 0.564 11.772 3.511 344 HD2 ARG 48 1HD ARG 48 0.480 10.712 5.666 345 HD3 ARG 48 2HD ARG 48 -1.286 10.691 5.653 346 HE ARG 48 HE ARG 48 -0.173 9.170 3.473 347 HH11 ARG 48 1HH1 ARG 48 -0.988 8.990 6.912 348 HH12 ARG 48 2HH1 ARG 48 -1.305 7.260 6.832 349 HH21 ARG 48 1HH2 ARG 48 -0.506 6.950 3.505 350 HH22 ARG 48 2HH2 ARG 48 -0.996 6.159 4.983 351 H ARG 49 H ARG 49 -3.042 11.448 7.013 352 HA ARG 49 HA ARG 49 -2.088 12.537 9.514 353 HB2 ARG 49 1HB ARG 49 -3.951 10.871 9.214 354 HB3 ARG 49 2HB ARG 49 -2.741 9.646 8.842 355 HG2 ARG 49 1HG ARG 49 -1.830 9.746 11.057 356 HG3 ARG 49 2HG ARG 49 -2.766 11.203 11.445 357 HD2 ARG 49 1HD ARG 49 -3.783 9.240 12.480 358 HD3 ARG 49 2HD ARG 49 -4.856 9.932 11.261 359 HE ARG 49 HE ARG 49 -3.350 7.925 9.994 360 HH11 ARG 49 1HH1 ARG 49 -5.874 8.172 12.448 361 HH12 ARG 49 2HH1 ARG 49 -6.451 6.557 12.134 362 HH21 ARG 49 1HH2 ARG 49 -4.175 5.847 9.637 363 HH22 ARG 49 2HH2 ARG 49 -5.530 5.302 10.583 364 H ALA 50 H ALA 50 -0.167 12.281 10.577 365 HA ALA 50 HA ALA 50 1.780 10.284 9.549 366 HB1 ALA 50 1HB ALA 50 2.192 12.392 8.296 367 HB2 ALA 50 2HB ALA 50 3.531 12.028 9.412 368 HB3 ALA 50 3HB ALA 50 2.326 13.268 9.842 369 H THR 51 H THR 51 3.299 9.633 11.061 370 HA THR 51 HA THR 51 3.470 11.016 13.671 371 HB THR 51 HB THR 51 3.377 8.658 14.776 372 HG1 THR 51 HG1 THR 51 1.857 7.278 13.526 373 HG21 THR 51 1HG2 THR 51 0.975 8.697 15.102 374 HG22 THR 51 2HG2 THR 51 0.753 9.693 13.648 375 HG23 THR 51 3HG2 THR 51 1.588 10.365 15.070 376 H ARG 52 H ARG 52 5.551 10.883 14.455 377 HA ARG 52 HA ARG 52 7.282 8.739 13.281 378 HB2 ARG 52 1HB ARG 52 7.608 11.262 12.461 379 HB3 ARG 52 2HB ARG 52 8.460 11.411 14.001 380 HG2 ARG 52 1HG ARG 52 10.118 10.892 12.365 381 HG3 ARG 52 2HG ARG 52 9.854 9.387 13.271 382 HD2 ARG 52 1HD ARG 52 8.305 8.603 11.478 383 HD3 ARG 52 2HD ARG 52 8.608 10.097 10.575 384 HE ARG 52 HE ARG 52 11.115 8.918 11.064 385 HH11 ARG 52 1HH1 ARG 52 8.196 8.080 9.260 386 HH12 ARG 52 2HH1 ARG 52 9.081 7.146 8.084 387 HH21 ARG 52 1HH2 ARG 52 12.174 7.700 9.524 388 HH22 ARG 52 2HH2 ARG 52 11.285 6.932 8.238 389 H ARG 53 H ARG 53 8.432 7.628 14.812 390 HA ARG 53 HA ARG 53 8.602 8.754 17.539 391 HB2 ARG 53 1HB ARG 53 6.411 7.256 16.916 392 HB3 ARG 53 2HB ARG 53 7.537 5.969 17.330 393 HG2 ARG 53 1HG ARG 53 6.778 6.295 19.429 394 HG3 ARG 53 2HG ARG 53 7.887 7.678 19.437 395 HD2 ARG 53 1HD ARG 53 5.855 8.588 20.160 396 HD3 ARG 53 2HD ARG 53 5.919 9.029 18.447 397 HE ARG 53 HE ARG 53 4.544 6.607 18.533 398 HH11 ARG 53 1HH1 ARG 53 4.042 9.793 19.971 399 HH12 ARG 53 2HH1 ARG 53 2.301 9.591 20.040 400 HH21 ARG 53 1HH2 ARG 53 2.315 6.433 18.636 401 HH22 ARG 53 2HH2 ARG 53 1.359 7.738 19.288 402 H ILE 54 H ILE 54 10.015 7.872 18.823 403 HA ILE 54 HA ILE 54 11.712 5.685 17.809 404 HB ILE 54 HB ILE 54 13.733 6.840 18.131 405 HG12 ILE 54 1HG1 ILE 54 13.440 7.943 20.227 406 HG13 ILE 54 2HG1 ILE 54 14.021 9.095 19.046 407 HG21 ILE 54 1HG2 ILE 54 13.740 8.732 16.626 408 HG22 ILE 54 2HG2 ILE 54 11.989 8.953 16.833 409 HG23 ILE 54 3HG2 ILE 54 12.618 7.488 16.039 410 HD11 ILE 54 1HD1 ILE 54 11.261 8.910 20.203 411 HD12 ILE 54 2HD1 ILE 54 11.671 9.946 18.815 412 HD13 ILE 54 3HD1 ILE 54 12.449 10.209 20.388 413 H ARG 55 H ARG 55 13.246 5.241 19.851 414 HA ARG 55 HA ARG 55 11.762 5.738 22.369 415 HB2 ARG 55 1HB ARG 55 11.073 3.542 21.405 416 HB3 ARG 55 2HB ARG 55 12.761 3.018 21.436 417 HG2 ARG 55 1HG ARG 55 12.814 3.012 23.816 418 HG3 ARG 55 2HG ARG 55 11.300 3.943 23.912 419 HD2 ARG 55 1HD ARG 55 10.733 1.693 24.377 420 HD3 ARG 55 2HD ARG 55 10.153 2.075 22.742 421 HE ARG 55 HE ARG 55 12.746 0.920 22.558 422 HH11 ARG 55 1HH1 ARG 55 9.453 -0.072 23.365 423 HH12 ARG 55 2HH1 ARG 55 9.720 -1.714 22.843 424 HH21 ARG 55 1HH2 ARG 55 13.012 -1.203 21.922 425 HH22 ARG 55 2HH2 ARG 55 11.696 -2.337 22.045 426 H GLY 56 H GLY 56 13.174 6.696 23.679 427 HA2 GLY 56 1HA GLY 56 16.068 6.028 23.376 428 HA3 GLY 56 2HA GLY 56 15.397 7.457 24.200 429 H GLY 57 H GLY 57 17.283 5.514 25.349 430 HA2 GLY 57 1HA GLY 57 15.760 3.801 27.144 431 HA3 GLY 57 2HA GLY 57 17.499 4.162 27.234 432 H ASP 58 H ASP 58 16.877 7.059 27.048 433 HA ASP 58 HA ASP 58 16.489 7.611 29.902 434 HB2 ASP 58 1HB ASP 58 16.858 10.011 29.043 435 HB3 ASP 58 2HB ASP 58 18.209 8.877 28.903 436 H GLY 59 H GLY 59 14.642 7.611 26.957 437 HA2 GLY 59 1HA GLY 59 12.250 7.358 27.271 438 HA3 GLY 59 2HA GLY 59 12.315 8.559 28.557 439 H LYS 60 H LYS 60 14.254 9.554 25.904 440 HA LYS 60 HA LYS 60 12.470 11.667 25.371 441 HB2 LYS 60 1HB LYS 60 13.867 12.347 23.582 442 HB3 LYS 60 2HB LYS 60 14.701 12.049 25.105 443 HG2 LYS 60 1HG LYS 60 15.057 9.662 23.866 444 HG3 LYS 60 2HG LYS 60 15.075 10.808 22.486 445 HD2 LYS 60 1HD LYS 60 16.535 12.268 23.764 446 HD3 LYS 60 2HD LYS 60 16.479 11.120 25.106 447 HE2 LYS 60 1HE LYS 60 17.516 9.389 23.606 448 HE3 LYS 60 2HE LYS 60 17.698 10.641 22.351 449 HZ1 LYS 60 1HZ LYS 60 19.050 11.900 23.950 450 HZ2 LYS 60 2HZ LYS 60 19.713 10.412 23.676 451 HZ3 LYS 60 3HZ LYS 60 18.881 10.701 25.076 452 H MET 61 H MET 61 11.066 12.067 23.919 453 HA MET 61 HA MET 61 10.252 9.922 21.997 454 HB2 MET 61 1HB MET 61 8.537 11.951 23.486 455 HB3 MET 61 2HB MET 61 7.943 10.798 22.287 456 HG2 MET 61 1HG MET 61 9.220 10.097 24.950 457 HG3 MET 61 2HG MET 61 7.491 10.032 24.581 458 HE1 MET 61 1HE MET 61 6.333 8.117 23.298 459 HE2 MET 61 2HE MET 61 7.180 7.000 22.201 460 HE3 MET 61 3HE MET 61 7.136 8.741 21.836 461 H LYS 62 H LYS 62 8.854 10.943 20.174 462 HA LYS 62 HA LYS 62 10.080 13.552 19.366 463 HB2 LYS 62 1HB LYS 62 10.946 11.870 17.901 464 HB3 LYS 62 2HB LYS 62 9.372 11.116 17.697 465 HG2 LYS 62 1HG LYS 62 10.212 12.432 15.704 466 HG3 LYS 62 2HG LYS 62 8.593 12.858 16.257 467 HD2 LYS 62 1HD LYS 62 9.828 14.876 15.651 468 HD3 LYS 62 2HD LYS 62 9.474 14.882 17.376 469 HE2 LYS 62 1HE LYS 62 11.810 14.058 17.817 470 HE3 LYS 62 2HE LYS 62 12.145 14.216 16.078 471 HZ1 LYS 62 1HZ LYS 62 11.593 16.581 16.265 472 HZ2 LYS 62 2HZ LYS 62 12.810 16.206 17.313 473 HZ3 LYS 62 3HZ LYS 62 11.275 16.422 17.875 474 H ASP 63 H ASP 63 7.264 11.513 18.410 475 HA ASP 63 HA ASP 63 5.593 13.981 18.672 476 HB2 ASP 63 1HB ASP 63 5.140 11.366 17.167 477 HB3 ASP 63 2HB ASP 63 3.903 12.608 17.392 478 H LEU 64 H LEU 64 3.777 13.840 19.985 479 HA LEU 64 HA LEU 64 3.596 11.379 21.694 480 HB2 LEU 64 1HB LEU 64 2.920 14.285 22.300 481 HB3 LEU 64 2HB LEU 64 2.357 12.941 23.274 482 HG LEU 64 HG LEU 64 4.147 13.962 24.423 483 HD11 LEU 64 1HD1 LEU 64 5.682 12.125 24.763 484 HD12 LEU 64 2HD1 LEU 64 5.282 11.430 23.176 485 HD13 LEU 64 3HD1 LEU 64 4.058 11.472 24.470 486 HD21 LEU 64 1HD2 LEU 64 6.386 14.293 23.608 487 HD22 LEU 64 2HD2 LEU 64 5.260 15.080 22.486 488 HD23 LEU 64 3HD2 LEU 64 6.001 13.519 22.055 489 H SER 65 H SER 65 1.888 14.043 20.101 490 HA SER 65 HA SER 65 -0.602 12.442 19.971 491 HB2 SER 65 1HB SER 65 0.155 15.320 20.004 492 HB3 SER 65 2HB SER 65 -1.177 14.887 18.920 493 HG SER 65 HG SER 65 -2.413 14.560 20.556 494 HA PRO 66 HA PRO 66 0.062 11.723 15.625 495 HB2 PRO 66 1HB PRO 66 -2.860 12.302 15.237 496 HB3 PRO 66 2HB PRO 66 -1.931 10.839 14.782 497 HG2 PRO 66 1HG PRO 66 -3.609 10.773 16.829 498 HG3 PRO 66 2HG PRO 66 -1.998 9.994 16.958 499 HD2 PRO 66 1HD PRO 66 -2.882 12.693 17.990 500 HD3 PRO 66 2HD PRO 66 -1.986 11.386 18.837 501 H ARG 67 H ARG 67 0.326 12.877 13.650 502 HA ARG 67 HA ARG 67 -0.523 15.746 13.752 503 HB2 ARG 67 1HB ARG 67 1.859 14.383 12.452 504 HB3 ARG 67 2HB ARG 67 1.453 16.082 12.268 505 HG2 ARG 67 1HG ARG 67 1.817 16.483 14.619 506 HG3 ARG 67 2HG ARG 67 2.128 14.752 14.900 507 HD2 ARG 67 1HD ARG 67 4.044 14.797 13.453 508 HD3 ARG 67 2HD ARG 67 3.675 16.448 12.954 509 HE ARG 67 HE ARG 67 5.018 15.574 15.405 510 HH11 ARG 67 1HH1 ARG 67 3.284 18.293 13.915 511 HH12 ARG 67 2HH1 ARG 67 4.048 19.457 14.986 512 HH21 ARG 67 1HH2 ARG 67 5.885 17.150 16.717 513 HH22 ARG 67 2HH2 ARG 67 5.446 18.841 16.499 514 H TRP 68 H TRP 68 -1.032 16.703 11.688 515 HA TRP 68 HA TRP 68 -1.529 14.796 9.440 516 HB2 TRP 68 1HB TRP 68 -3.459 16.800 10.644 517 HB3 TRP 68 2HB TRP 68 -3.625 16.190 8.998 518 HD1 TRP 68 HD1 TRP 68 -3.657 14.823 12.636 519 HE1 TRP 68 HE1 TRP 68 -5.157 12.770 12.768 520 HE3 TRP 68 HE3 TRP 68 -4.724 14.399 7.653 521 HZ2 TRP 68 HZ2 TRP 68 -6.613 11.136 10.946 522 HZ3 TRP 68 HZ3 TRP 68 -6.251 12.571 6.904 523 HH2 TRP 68 HH2 TRP 68 -7.195 10.960 8.560 524 H TYR 69 H TYR 69 -0.573 15.621 7.608 525 HA TYR 69 HA TYR 69 0.212 18.531 7.671 526 HB2 TYR 69 1HB TYR 69 1.396 16.109 6.263 527 HB3 TYR 69 2HB TYR 69 1.895 17.768 5.940 528 HD1 TYR 69 HD1 TYR 69 3.533 18.850 7.297 529 HD2 TYR 69 HD2 TYR 69 1.777 15.168 8.669 530 HE1 TYR 69 HE1 TYR 69 5.263 18.689 9.087 531 HE2 TYR 69 HE2 TYR 69 3.509 15.028 10.468 532 HH TYR 69 HH TYR 69 5.386 15.956 11.378 533 H PHE 70 H PHE 70 -0.293 19.796 5.795 534 HA PHE 70 HA PHE 70 -2.467 18.647 4.174 535 HB2 PHE 70 1HB PHE 70 -2.898 20.810 5.237 536 HB3 PHE 70 2HB PHE 70 -1.484 21.506 4.436 537 HD1 PHE 70 HD1 PHE 70 -4.710 19.755 3.638 538 HD2 PHE 70 HD2 PHE 70 -1.753 22.575 2.348 539 HE1 PHE 70 HE1 PHE 70 -6.117 20.316 1.667 540 HE2 PHE 70 HE2 PHE 70 -3.159 23.160 0.391 541 HZ PHE 70 HZ PHE 70 -5.343 22.027 0.030 542 H TYR 71 H TYR 71 -2.395 18.343 2.079 543 HA TYR 71 HA TYR 71 0.095 19.055 0.604 544 HB2 TYR 71 1HB TYR 71 -1.033 16.461 1.469 545 HB3 TYR 71 2HB TYR 71 -0.462 16.517 -0.224 546 HD1 TYR 71 HD1 TYR 71 0.464 16.317 3.302 547 HD2 TYR 71 HD2 TYR 71 1.994 17.110 -0.638 548 HE1 TYR 71 HE1 TYR 71 2.792 15.929 4.117 549 HE2 TYR 71 HE2 TYR 71 4.305 16.723 0.177 550 HH TYR 71 HH TYR 71 5.617 16.064 1.901 551 H TYR 72 H TYR 72 -0.311 19.602 -1.484 552 HA TYR 72 HA TYR 72 -2.996 20.115 -2.359 553 HB2 TYR 72 1HB TYR 72 -0.404 20.143 -3.873 554 HB3 TYR 72 2HB TYR 72 -1.954 20.726 -4.459 555 HD1 TYR 72 HD1 TYR 72 0.974 21.987 -3.518 556 HD2 TYR 72 HD2 TYR 72 -3.137 22.215 -2.271 557 HE1 TYR 72 HE1 TYR 72 1.374 24.214 -2.516 558 HE2 TYR 72 HE2 TYR 72 -2.681 24.416 -1.227 559 HH TYR 72 HH TYR 72 -1.147 26.019 -0.773 560 H LEU 73 H LEU 73 -3.971 19.296 -4.344 561 HA LEU 73 HA LEU 73 -4.449 16.566 -4.223 562 HB2 LEU 73 1HB LEU 73 -5.448 18.674 -5.584 563 HB3 LEU 73 2HB LEU 73 -4.604 17.875 -6.895 564 HG LEU 73 HG LEU 73 -6.900 16.797 -5.246 565 HD11 LEU 73 1HD1 LEU 73 -8.072 16.871 -7.343 566 HD12 LEU 73 2HD1 LEU 73 -6.587 17.294 -8.220 567 HD13 LEU 73 3HD1 LEU 73 -7.313 18.446 -7.081 568 HD21 LEU 73 1HD2 LEU 73 -5.543 14.868 -5.621 569 HD22 LEU 73 2HD2 LEU 73 -5.181 15.361 -7.295 570 HD23 LEU 73 3HD2 LEU 73 -6.816 14.842 -6.843 571 H GLY 74 H GLY 74 -3.342 14.791 -4.676 572 HA2 GLY 74 1HA GLY 74 -2.044 13.300 -5.825 573 HA3 GLY 74 2HA GLY 74 -2.047 14.418 -7.187 574 H THR 75 H THR 75 -0.704 15.567 -4.133 575 HA THR 75 HA THR 75 1.925 15.633 -5.483 576 HB THR 75 HB THR 75 2.627 16.965 -3.471 577 HG1 THR 75 HG1 THR 75 -0.166 17.003 -2.877 578 HG21 THR 75 1HG2 THR 75 1.847 18.051 -5.497 579 HG22 THR 75 2HG2 THR 75 1.335 18.943 -4.056 580 HG23 THR 75 3HG2 THR 75 0.164 17.938 -4.936 581 H GLY 76 H GLY 76 3.795 14.779 -4.677 582 HA2 GLY 76 1HA GLY 76 4.993 13.534 -2.973 583 HA3 GLY 76 2HA GLY 76 3.489 12.694 -2.557 584 HA PRO 77 HA PRO 77 5.674 10.965 -6.477 585 HB2 PRO 77 1HB PRO 77 7.738 9.382 -5.666 586 HB3 PRO 77 2HB PRO 77 7.887 11.126 -5.926 587 HG2 PRO 77 1HG PRO 77 7.490 9.721 -3.367 588 HG3 PRO 77 2HG PRO 77 8.739 10.916 -3.816 589 HD2 PRO 77 1HD PRO 77 6.491 11.643 -2.507 590 HD3 PRO 77 2HD PRO 77 7.225 12.696 -3.767 591 H GLU 78 H GLU 78 5.311 9.451 -3.385 592 HA GLU 78 HA GLU 78 4.563 6.825 -4.594 593 HB2 GLU 78 1HB GLU 78 5.044 7.625 -1.697 594 HB3 GLU 78 2HB GLU 78 4.786 5.982 -2.284 595 HG2 GLU 78 1HG GLU 78 6.945 5.723 -2.879 596 HG3 GLU 78 2HG GLU 78 7.055 7.336 -3.595 597 H ALA 79 H ALA 79 3.051 9.587 -4.209 598 HA ALA 79 HA ALA 79 1.166 9.109 -2.180 599 HB1 ALA 79 1HB ALA 79 1.590 11.338 -2.989 600 HB2 ALA 79 2HB ALA 79 -0.128 10.970 -3.213 601 HB3 ALA 79 3HB ALA 79 0.982 10.928 -4.607 602 H GLY 80 H GLY 80 0.763 8.832 -5.742 603 HA2 GLY 80 1HA GLY 80 -0.798 7.673 -6.994 604 HA3 GLY 80 2HA GLY 80 -0.742 6.466 -5.699 605 H LEU 81 H LEU 81 -2.007 9.861 -5.653 606 HA LEU 81 HA LEU 81 -4.598 8.731 -4.845 607 HB2 LEU 81 1HB LEU 81 -2.808 10.813 -3.657 608 HB3 LEU 81 2HB LEU 81 -4.531 10.980 -3.491 609 HG LEU 81 HG LEU 81 -2.924 8.633 -2.500 610 HD11 LEU 81 1HD1 LEU 81 -2.493 10.734 -1.293 611 HD12 LEU 81 2HD1 LEU 81 -3.376 9.575 -0.285 612 HD13 LEU 81 3HD1 LEU 81 -4.240 10.940 -1.027 613 HD21 LEU 81 1HD2 LEU 81 -5.018 8.010 -1.322 614 HD22 LEU 81 2HD2 LEU 81 -5.188 7.929 -3.087 615 HD23 LEU 81 3HD2 LEU 81 -5.873 9.290 -2.175 616 HA PRO 82 HA PRO 82 -6.142 11.833 -7.786 617 HB2 PRO 82 1HB PRO 82 -8.319 10.366 -8.512 618 HB3 PRO 82 2HB PRO 82 -6.703 10.053 -9.227 619 HG2 PRO 82 1HG PRO 82 -8.148 8.579 -7.057 620 HG3 PRO 82 2HG PRO 82 -7.145 7.944 -8.383 621 HD2 PRO 82 1HD PRO 82 -6.302 8.257 -5.815 622 HD3 PRO 82 2HD PRO 82 -5.229 8.163 -7.222 623 H TYR 83 H TYR 83 -8.227 13.055 -7.445 624 HA TYR 83 HA TYR 83 -8.673 13.434 -4.674 625 HB2 TYR 83 1HB TYR 83 -9.071 15.118 -6.465 626 HB3 TYR 83 2HB TYR 83 -10.492 14.208 -6.967 627 HD1 TYR 83 HD1 TYR 83 -12.572 14.331 -5.640 628 HD2 TYR 83 HD2 TYR 83 -8.993 16.281 -4.271 629 HE1 TYR 83 HE1 TYR 83 -13.894 15.565 -3.907 630 HE2 TYR 83 HE2 TYR 83 -10.312 17.497 -2.546 631 HH TYR 83 HH TYR 83 -12.337 17.834 -1.610 632 H GLY 84 H GLY 84 -10.035 12.594 -3.228 633 HA2 GLY 84 1HA GLY 84 -11.997 11.569 -2.475 634 HA3 GLY 84 2HA GLY 84 -12.409 11.113 -4.131 635 H ALA 85 H ALA 85 -9.267 10.112 -3.936 636 HA ALA 85 HA ALA 85 -10.054 7.373 -3.643 637 HB1 ALA 85 1HB ALA 85 -8.182 7.743 -4.974 638 HB2 ALA 85 2HB ALA 85 -7.535 6.999 -3.501 639 HB3 ALA 85 3HB ALA 85 -7.374 8.758 -3.760 640 H ASN 86 H ASN 86 -10.207 6.069 -1.987 641 HA ASN 86 HA ASN 86 -9.869 7.135 0.717 642 HB2 ASN 86 1HB ASN 86 -11.780 5.646 0.067 643 HB3 ASN 86 2HB ASN 86 -10.621 4.343 -0.246 644 HD21 ASN 86 1HD2 ASN 86 -11.330 3.315 3.023 645 HD22 ASN 86 2HD2 ASN 86 -11.547 3.004 1.318 646 H LYS 87 H LYS 87 -8.138 6.854 1.992 647 HA LYS 87 HA LYS 87 -6.323 4.569 1.623 648 HB2 LYS 87 1HB LYS 87 -5.640 6.297 -0.062 649 HB3 LYS 87 2HB LYS 87 -5.395 7.415 1.219 650 HG2 LYS 87 1HG LYS 87 -3.459 6.385 2.012 651 HG3 LYS 87 2HG LYS 87 -3.890 4.812 1.301 652 HD2 LYS 87 1HD LYS 87 -3.045 7.259 -0.307 653 HD3 LYS 87 2HD LYS 87 -1.957 5.952 0.177 654 HE2 LYS 87 1HE LYS 87 -3.381 4.323 -1.094 655 HE3 LYS 87 2HE LYS 87 -4.397 5.669 -1.640 656 HZ1 LYS 87 1HZ LYS 87 -1.540 5.231 -2.297 657 HZ2 LYS 87 2HZ LYS 87 -2.331 6.630 -2.648 658 HZ3 LYS 87 3HZ LYS 87 -2.819 5.216 -3.340 659 H ASP 88 H ASP 88 -4.772 4.515 3.437 660 HA ASP 88 HA ASP 88 -5.919 5.106 5.929 661 HB2 ASP 88 1HB ASP 88 -4.146 3.490 5.795 662 HB3 ASP 88 2HB ASP 88 -3.038 4.676 5.082 663 H GLY 89 H GLY 89 -6.281 6.937 6.948 664 HA2 GLY 89 1HA GLY 89 -5.875 9.001 7.875 665 HA3 GLY 89 2HA GLY 89 -4.175 8.757 7.464 666 H ILE 90 H ILE 90 -6.823 8.907 5.077 667 HA ILE 90 HA ILE 90 -5.686 11.525 4.196 668 HB ILE 90 HB ILE 90 -6.792 9.270 2.416 669 HG12 ILE 90 1HG1 ILE 90 -4.571 8.752 3.233 670 HG13 ILE 90 2HG1 ILE 90 -4.540 9.145 1.525 671 HG21 ILE 90 1HG2 ILE 90 -7.374 11.453 1.453 672 HG22 ILE 90 2HG2 ILE 90 -6.004 10.798 0.541 673 HG23 ILE 90 3HG2 ILE 90 -5.740 12.082 1.751 674 HD11 ILE 90 1HD1 ILE 90 -2.656 9.958 2.830 675 HD12 ILE 90 2HD1 ILE 90 -3.760 11.110 3.623 676 HD13 ILE 90 3HD1 ILE 90 -3.508 11.180 1.867 677 H ILE 91 H ILE 91 -6.986 13.148 4.200 678 HA ILE 91 HA ILE 91 -9.926 12.649 3.840 679 HB ILE 91 HB ILE 91 -10.327 14.702 5.266 680 HG12 ILE 91 1HG1 ILE 91 -7.893 14.373 6.859 681 HG13 ILE 91 2HG1 ILE 91 -7.525 14.899 5.241 682 HG21 ILE 91 1HG2 ILE 91 -10.724 12.369 6.074 683 HG22 ILE 91 2HG2 ILE 91 -10.322 13.518 7.370 684 HG23 ILE 91 3HG2 ILE 91 -9.091 12.366 6.781 685 HD11 ILE 91 1HD1 ILE 91 -7.878 16.788 6.778 686 HD12 ILE 91 2HD1 ILE 91 -9.559 16.265 7.017 687 HD13 ILE 91 3HD1 ILE 91 -8.992 16.792 5.403 688 H TRP 92 H TRP 92 -10.636 13.546 2.020 689 HA TRP 92 HA TRP 92 -8.985 15.568 0.692 690 HB2 TRP 92 1HB TRP 92 -11.530 14.123 -0.095 691 HB3 TRP 92 2HB TRP 92 -10.681 15.289 -1.118 692 HD1 TRP 92 HD1 TRP 92 -10.474 11.711 0.101 693 HE1 TRP 92 HE1 TRP 92 -8.562 10.464 -1.007 694 HE3 TRP 92 HE3 TRP 92 -8.259 15.740 -2.163 695 HZ2 TRP 92 HZ2 TRP 92 -6.370 11.146 -2.680 696 HZ3 TRP 92 HZ3 TRP 92 -6.196 15.363 -3.494 697 HH2 TRP 92 HH2 TRP 92 -5.261 13.065 -3.762 698 H VAL 93 H VAL 93 -9.381 17.660 0.393 699 HA VAL 93 HA VAL 93 -12.029 18.759 1.222 700 HB VAL 93 HB VAL 93 -10.807 20.720 2.251 701 HG11 VAL 93 1HG1 VAL 93 -10.331 19.613 4.390 702 HG12 VAL 93 2HG1 VAL 93 -10.291 18.029 3.585 703 HG13 VAL 93 3HG1 VAL 93 -11.807 18.959 3.654 704 HG21 VAL 93 1HG2 VAL 93 -8.374 18.877 2.212 705 HG22 VAL 93 2HG2 VAL 93 -8.478 20.496 2.936 706 HG23 VAL 93 3HG2 VAL 93 -8.578 20.308 1.173 707 H ALA 94 H ALA 94 -12.477 20.829 0.192 708 HA ALA 94 HA ALA 94 -10.738 21.838 -1.893 709 HB1 ALA 94 1HB ALA 94 -12.144 21.230 -3.819 710 HB2 ALA 94 2HB ALA 94 -13.277 20.355 -2.760 711 HB3 ALA 94 3HB ALA 94 -11.631 19.736 -3.007 712 H THR 95 H THR 95 -11.886 23.610 -3.041 713 HA THR 95 HA THR 95 -14.370 24.544 -1.691 714 HB THR 95 HB THR 95 -12.327 25.862 -0.879 715 HG1 THR 95 HG1 THR 95 -13.417 27.863 -1.286 716 HG21 THR 95 1HG2 THR 95 -12.376 27.025 -3.689 717 HG22 THR 95 2HG2 THR 95 -11.172 25.832 -3.151 718 HG23 THR 95 3HG2 THR 95 -11.263 27.417 -2.358 719 H GLU 96 H GLU 96 -15.396 26.231 -3.245 720 HA GLU 96 HA GLU 96 -15.718 24.922 -5.770 721 HB2 GLU 96 1HB GLU 96 -17.451 26.223 -4.502 722 HB3 GLU 96 2HB GLU 96 -16.622 27.710 -4.988 723 HG2 GLU 96 1HG GLU 96 -17.042 27.221 -7.339 724 HG3 GLU 96 2HG GLU 96 -17.710 25.633 -6.920 725 H GLY 97 H GLY 97 -14.930 25.351 -7.739 726 HA2 GLY 97 1HA GLY 97 -13.968 26.685 -9.435 727 HA3 GLY 97 2HA GLY 97 -13.370 27.813 -8.213 728 H ALA 98 H ALA 98 -12.535 25.050 -6.832 729 HA ALA 98 HA ALA 98 -9.803 25.240 -7.787 730 HB1 ALA 98 1HB ALA 98 -9.327 23.659 -6.060 731 HB2 ALA 98 2HB ALA 98 -11.062 23.299 -5.854 732 HB3 ALA 98 3HB ALA 98 -10.426 24.907 -5.429 733 H LEU 99 H LEU 99 -9.011 24.204 -9.509 734 HA LEU 99 HA LEU 99 -10.516 22.282 -10.984 735 HB2 LEU 99 1HB LEU 99 -7.715 23.266 -11.071 736 HB3 LEU 99 2HB LEU 99 -8.164 21.929 -12.057 737 HG LEU 99 HG LEU 99 -8.066 24.118 -13.232 738 HD11 LEU 99 1HD1 LEU 99 -10.040 23.593 -14.566 739 HD12 LEU 99 2HD1 LEU 99 -10.708 22.636 -13.225 740 HD13 LEU 99 3HD1 LEU 99 -9.212 22.110 -14.042 741 HD21 LEU 99 1HD2 LEU 99 -9.958 25.647 -13.152 742 HD22 LEU 99 2HD2 LEU 99 -9.175 25.588 -11.565 743 HD23 LEU 99 3HD2 LEU 99 -10.700 24.721 -11.830 744 H ASN 100 H ASN 100 -10.535 20.260 -11.083 745 HA ASN 100 HA ASN 100 -9.104 18.602 -9.124 746 HB2 ASN 100 1HB ASN 100 -11.511 18.209 -9.626 747 HB3 ASN 100 2HB ASN 100 -11.093 17.852 -11.309 748 HD21 ASN 100 1HD2 ASN 100 -11.043 14.496 -10.389 749 HD22 ASN 100 2HD2 ASN 100 -11.787 15.761 -11.333 750 H THR 101 H THR 101 -6.984 19.156 -10.035 751 HA THR 101 HA THR 101 -6.204 17.228 -12.148 752 HB THR 101 HB THR 101 -6.757 19.649 -13.104 753 HG1 THR 101 HG1 THR 101 -5.014 19.411 -14.567 754 HG21 THR 101 1HG2 THR 101 -4.946 21.227 -13.023 755 HG22 THR 101 2HG2 THR 101 -3.936 20.096 -12.069 756 HG23 THR 101 3HG2 THR 101 -5.407 20.827 -11.359 757 HA PRO 102 HA PRO 102 -2.908 16.733 -9.258 758 HB2 PRO 102 1HB PRO 102 -0.684 16.555 -10.907 759 HB3 PRO 102 2HB PRO 102 -1.819 15.194 -10.600 760 HG2 PRO 102 1HG PRO 102 -1.728 17.157 -12.878 761 HG3 PRO 102 2HG PRO 102 -1.919 15.376 -12.924 762 HD2 PRO 102 1HD PRO 102 -4.013 16.932 -13.179 763 HD3 PRO 102 2HD PRO 102 -4.108 15.470 -12.149 764 H LYS 103 H LYS 103 -1.331 17.783 -8.131 765 HA LYS 103 HA LYS 103 -0.454 20.461 -9.179 766 HB2 LYS 103 1HB LYS 103 -0.909 19.699 -6.291 767 HB3 LYS 103 2HB LYS 103 -0.647 21.308 -6.937 768 HG2 LYS 103 1HG LYS 103 -3.057 19.585 -7.348 769 HG3 LYS 103 2HG LYS 103 -2.961 20.918 -6.240 770 HD2 LYS 103 1HD LYS 103 -2.621 22.463 -8.154 771 HD3 LYS 103 2HD LYS 103 -2.865 21.090 -9.260 772 HE2 LYS 103 1HE LYS 103 -5.064 20.663 -8.212 773 HE3 LYS 103 2HE LYS 103 -4.814 22.059 -7.151 774 HZ1 LYS 103 1HZ LYS 103 -4.687 23.427 -9.187 775 HZ2 LYS 103 2HZ LYS 103 -6.154 22.708 -8.964 776 HZ3 LYS 103 3HZ LYS 103 -5.097 22.108 -10.081 777 H ASP 104 H ASP 104 0.849 17.855 -9.411 778 HA ASP 104 HA ASP 104 2.716 17.234 -7.435 779 HB2 ASP 104 1HB ASP 104 3.958 16.110 -9.197 780 HB3 ASP 104 2HB ASP 104 2.221 15.890 -9.473 781 H HIS 105 H HIS 105 3.016 19.583 -10.083 782 HA HIS 105 HA HIS 105 5.745 20.281 -9.555 783 HB2 HIS 105 1HB HIS 105 5.382 22.054 -11.126 784 HB3 HIS 105 2HB HIS 105 4.496 20.631 -11.691 785 HD1 HIS 105 HD1 HIS 105 4.050 24.192 -10.640 786 HD2 HIS 105 HD2 HIS 105 1.608 20.859 -11.373 787 HE1 HIS 105 HE1 HIS 105 1.659 25.056 -10.890 788 H ILE 106 H ILE 106 2.942 21.058 -7.748 789 HA ILE 106 HA ILE 106 4.127 23.590 -6.752 790 HB ILE 106 HB ILE 106 1.470 22.287 -5.890 791 HG12 ILE 106 1HG1 ILE 106 1.962 24.394 -8.040 792 HG13 ILE 106 2HG1 ILE 106 1.425 22.727 -8.305 793 HG21 ILE 106 1HG2 ILE 106 0.995 24.563 -5.031 794 HG22 ILE 106 2HG2 ILE 106 2.490 25.205 -5.750 795 HG23 ILE 106 3HG2 ILE 106 2.562 24.068 -4.392 796 HD11 ILE 106 1HD1 ILE 106 -0.577 23.878 -8.356 797 HD12 ILE 106 2HD1 ILE 106 -0.087 25.014 -7.068 798 HD13 ILE 106 3HD1 ILE 106 -0.492 23.339 -6.653 799 H GLY 107 H GLY 107 3.178 20.316 -5.682 800 HA2 GLY 107 1HA GLY 107 3.869 20.803 -2.928 801 HA3 GLY 107 2HA GLY 107 3.526 19.242 -3.665 802 H THR 108 H THR 108 6.018 20.675 -5.390 803 HA THR 108 HA THR 108 7.988 18.889 -4.160 804 HB THR 108 HB THR 108 7.769 19.097 -6.635 805 HG1 THR 108 HG1 THR 108 10.220 19.977 -5.485 806 HG21 THR 108 1HG2 THR 108 8.551 21.078 -7.803 807 HG22 THR 108 2HG2 THR 108 8.928 21.893 -6.272 808 HG23 THR 108 3HG2 THR 108 7.240 21.550 -6.706 809 H ARG 109 H ARG 109 6.974 21.272 -2.647 810 HA ARG 109 HA ARG 109 8.910 23.346 -2.549 811 HB2 ARG 109 1HB ARG 109 6.660 23.342 -1.404 812 HB3 ARG 109 2HB ARG 109 7.311 22.188 -0.239 813 HG2 ARG 109 1HG ARG 109 9.086 23.914 0.329 814 HG3 ARG 109 2HG ARG 109 8.173 25.061 -0.666 815 HD2 ARG 109 1HD ARG 109 7.424 25.408 1.556 816 HD3 ARG 109 2HD ARG 109 6.158 24.484 0.762 817 HE ARG 109 HE ARG 109 6.541 22.706 2.180 818 HH11 ARG 109 1HH1 ARG 109 9.246 24.935 2.505 819 HH12 ARG 109 2HH1 ARG 109 9.887 24.123 3.897 820 HH21 ARG 109 1HH2 ARG 109 7.356 21.751 3.974 821 HH22 ARG 109 2HH2 ARG 109 8.838 22.327 4.712 822 H ASN 110 H ASN 110 10.933 23.446 -1.762 823 HA ASN 110 HA ASN 110 12.070 20.923 -0.724 824 HB2 ASN 110 1HB ASN 110 13.348 23.595 -1.403 825 HB3 ASN 110 2HB ASN 110 14.232 22.129 -0.974 826 HD21 ASN 110 1HD2 ASN 110 13.341 20.539 -4.117 827 HD22 ASN 110 2HD2 ASN 110 13.335 20.157 -2.407 828 HA PRO 111 HA PRO 111 11.546 22.869 3.265 829 HB2 PRO 111 1HB PRO 111 12.551 20.941 4.886 830 HB3 PRO 111 2HB PRO 111 10.955 20.765 4.087 831 HG2 PRO 111 1HG PRO 111 13.628 19.658 3.236 832 HG3 PRO 111 2HG PRO 111 12.053 18.815 3.378 833 HD2 PRO 111 1HD PRO 111 12.991 19.748 1.009 834 HD3 PRO 111 2HD PRO 111 11.240 19.747 1.407 835 H ALA 112 H ALA 112 14.463 21.764 1.786 836 HA ALA 112 HA ALA 112 16.304 22.844 3.746 837 HB1 ALA 112 1HB ALA 112 16.944 20.990 2.247 838 HB2 ALA 112 2HB ALA 112 17.983 22.404 1.958 839 HB3 ALA 112 3HB ALA 112 16.668 22.023 0.820 840 H ASN 113 H ASN 113 14.561 24.072 0.952 841 HA ASN 113 HA ASN 113 16.295 26.487 0.870 842 HB2 ASN 113 1HB ASN 113 14.183 25.481 -1.064 843 HB3 ASN 113 2HB ASN 113 15.145 26.936 -1.268 844 HD21 ASN 113 1HD2 ASN 113 16.597 23.867 -3.017 845 HD22 ASN 113 2HD2 ASN 113 14.945 24.417 -2.881 846 H ASN 114 H ASN 114 13.079 25.460 1.790 847 HA ASN 114 HA ASN 114 12.423 28.295 2.396 848 HB2 ASN 114 1HB ASN 114 11.378 27.910 0.262 849 HB3 ASN 114 2HB ASN 114 10.641 26.396 0.829 850 HD21 ASN 114 1HD2 ASN 114 7.891 27.962 2.171 851 HD22 ASN 114 2HD2 ASN 114 8.652 26.580 1.428 852 H ALA 115 H ALA 115 10.862 28.627 4.011 853 HA ALA 115 HA ALA 115 10.662 26.362 5.921 854 HB1 ALA 115 1HB ALA 115 10.014 28.116 7.539 855 HB2 ALA 115 2HB ALA 115 10.050 29.333 6.242 856 HB3 ALA 115 3HB ALA 115 11.554 28.520 6.743 857 H ALA 116 H ALA 116 8.705 25.592 6.666 858 HA ALA 116 HA ALA 116 6.427 25.827 4.918 859 HB1 ALA 116 1HB ALA 116 6.639 24.522 7.663 860 HB2 ALA 116 2HB ALA 116 7.005 23.722 6.116 861 HB3 ALA 116 3HB ALA 116 5.352 24.266 6.463 862 H ILE 117 H ILE 117 4.387 26.625 5.369 863 HA ILE 117 HA ILE 117 4.360 29.068 6.996 864 HB ILE 117 HB ILE 117 2.228 27.742 5.271 865 HG12 ILE 117 1HG1 ILE 117 3.630 30.224 4.389 866 HG13 ILE 117 2HG1 ILE 117 4.564 28.732 4.321 867 HG21 ILE 117 1HG2 ILE 117 1.190 30.033 5.213 868 HG22 ILE 117 2HG2 ILE 117 2.386 30.579 6.411 869 HG23 ILE 117 3HG2 ILE 117 1.191 29.331 6.837 870 HD11 ILE 117 1HD1 ILE 117 2.867 27.672 2.939 871 HD12 ILE 117 2HD1 ILE 117 3.447 29.178 2.199 872 HD13 ILE 117 3HD1 ILE 117 1.865 29.142 3.014 873 H VAL 118 H VAL 118 3.256 29.274 9.012 874 HA VAL 118 HA VAL 118 2.346 26.926 10.433 875 HB VAL 118 HB VAL 118 1.734 29.906 10.851 876 HG11 VAL 118 1HG1 VAL 118 1.066 29.226 13.157 877 HG12 VAL 118 2HG1 VAL 118 1.185 27.523 12.663 878 HG13 VAL 118 3HG1 VAL 118 -0.021 28.589 11.909 879 HG21 VAL 118 1HG2 VAL 118 3.405 29.724 12.683 880 HG22 VAL 118 2HG2 VAL 118 4.126 29.344 11.107 881 HG23 VAL 118 3HG2 VAL 118 3.709 28.029 12.233 882 H LEU 119 H LEU 119 0.525 25.807 10.074 883 HA LEU 119 HA LEU 119 -1.267 26.572 7.982 884 HB2 LEU 119 1HB LEU 119 -0.597 24.265 8.817 885 HB3 LEU 119 2HB LEU 119 -1.764 24.471 10.110 886 HG LEU 119 HG LEU 119 -2.637 24.776 7.224 887 HD11 LEU 119 1HD1 LEU 119 -3.029 22.383 7.087 888 HD12 LEU 119 2HD1 LEU 119 -2.325 22.139 8.706 889 HD13 LEU 119 3HD1 LEU 119 -1.309 22.695 7.364 890 HD21 LEU 119 1HD2 LEU 119 -3.955 23.901 9.824 891 HD22 LEU 119 2HD2 LEU 119 -4.719 23.665 8.243 892 HD23 LEU 119 3HD2 LEU 119 -4.358 25.300 8.815 893 H GLN 120 H GLN 120 -3.114 27.661 7.965 894 HA GLN 120 HA GLN 120 -4.536 28.262 10.524 895 HB2 GLN 120 1HB GLN 120 -3.777 30.186 8.308 896 HB3 GLN 120 2HB GLN 120 -4.924 30.559 9.601 897 HG2 GLN 120 1HG GLN 120 -3.275 30.691 11.215 898 HG3 GLN 120 2HG GLN 120 -2.163 29.674 10.302 899 HE21 GLN 120 1HE2 GLN 120 -0.673 32.286 8.542 900 HE22 GLN 120 2HE2 GLN 120 -0.801 30.556 8.795 901 H LEU 121 H LEU 121 -6.806 28.777 10.098 902 HA LEU 121 HA LEU 121 -7.749 27.647 7.492 903 HB2 LEU 121 1HB LEU 121 -8.831 27.579 10.297 904 HB3 LEU 121 2HB LEU 121 -9.964 27.591 8.959 905 HG LEU 121 HG LEU 121 -7.833 25.483 9.389 906 HD11 LEU 121 1HD1 LEU 121 -9.833 24.092 9.998 907 HD12 LEU 121 2HD1 LEU 121 -10.828 25.560 9.923 908 HD13 LEU 121 3HD1 LEU 121 -9.530 25.429 11.127 909 HD21 LEU 121 1HD2 LEU 121 -10.155 25.670 7.395 910 HD22 LEU 121 2HD2 LEU 121 -9.200 24.197 7.697 911 HD23 LEU 121 3HD2 LEU 121 -8.420 25.630 7.009 912 HA PRO 122 HA PRO 122 -9.321 31.664 6.752 913 HB2 PRO 122 1HB PRO 122 -11.281 31.205 4.927 914 HB3 PRO 122 2HB PRO 122 -9.537 30.949 4.538 915 HG2 PRO 122 1HG PRO 122 -11.609 28.949 5.406 916 HG3 PRO 122 2HG PRO 122 -10.498 28.883 3.999 917 HD2 PRO 122 1HD PRO 122 -9.938 27.631 6.317 918 HD3 PRO 122 2HD PRO 122 -8.648 28.406 5.339 919 H GLN 123 H GLN 123 -11.251 33.017 6.881 920 HA GLN 123 HA GLN 123 -12.727 32.638 9.236 921 HB2 GLN 123 1HB GLN 123 -12.419 34.815 8.126 922 HB3 GLN 123 2HB GLN 123 -13.379 34.273 6.749 923 HG2 GLN 123 1HG GLN 123 -14.676 35.767 8.190 924 HG3 GLN 123 2HG GLN 123 -15.390 34.151 8.141 925 HE21 GLN 123 1HE2 GLN 123 -15.648 34.365 11.613 926 HE22 GLN 123 2HE2 GLN 123 -16.470 34.290 10.071 927 H GLY 124 H GLY 124 -14.475 31.519 9.764 928 HA2 GLY 124 1HA GLY 124 -16.670 30.668 9.292 929 HA3 GLY 124 2HA GLY 124 -16.224 30.478 7.592 930 H THR 125 H THR 125 -13.508 29.255 8.504 931 HA THR 125 HA THR 125 -14.713 26.579 9.047 932 HB THR 125 HB THR 125 -11.886 27.057 8.082 933 HG1 THR 125 HG1 THR 125 -13.341 28.017 6.607 934 HG21 THR 125 1HG2 THR 125 -12.538 24.780 8.941 935 HG22 THR 125 2HG2 THR 125 -12.166 24.778 7.212 936 HG23 THR 125 3HG2 THR 125 -13.851 24.742 7.756 937 H THR 126 H THR 126 -14.390 25.527 10.838 938 HA THR 126 HA THR 126 -12.293 26.492 12.723 939 HB THR 126 HB THR 126 -13.872 25.359 14.445 940 HG1 THR 126 HG1 THR 126 -16.023 25.254 13.757 941 HG21 THR 126 1HG2 THR 126 -15.208 27.391 14.679 942 HG22 THR 126 2HG2 THR 126 -14.814 27.871 13.013 943 HG23 THR 126 3HG2 THR 126 -13.531 27.803 14.250 944 H LEU 127 H LEU 127 -11.130 24.959 13.840 945 HA LEU 127 HA LEU 127 -10.682 22.447 12.469 946 HB2 LEU 127 1HB LEU 127 -9.804 23.399 15.202 947 HB3 LEU 127 2HB LEU 127 -9.189 21.977 14.413 948 HG LEU 127 HG LEU 127 -8.809 24.774 13.315 949 HD11 LEU 127 1HD1 LEU 127 -6.521 24.633 14.183 950 HD12 LEU 127 2HD1 LEU 127 -6.876 23.053 14.916 951 HD13 LEU 127 3HD1 LEU 127 -7.695 24.513 15.512 952 HD21 LEU 127 1HD2 LEU 127 -7.083 23.699 11.937 953 HD22 LEU 127 2HD2 LEU 127 -8.657 22.940 11.654 954 HD23 LEU 127 3HD2 LEU 127 -7.454 22.122 12.673 955 HA PRO 128 HA PRO 128 -13.670 20.092 14.711 956 HB2 PRO 128 1HB PRO 128 -12.559 17.608 14.862 957 HB3 PRO 128 2HB PRO 128 -13.118 18.312 13.314 958 HG2 PRO 128 1HG PRO 128 -10.396 18.150 14.462 959 HG3 PRO 128 2HG PRO 128 -10.961 17.785 12.813 960 HD2 PRO 128 1HD PRO 128 -9.753 20.137 13.521 961 HD3 PRO 128 2HD PRO 128 -10.966 20.049 12.214 962 H LYS 129 H LYS 129 -13.847 18.585 16.788 963 HA LYS 129 HA LYS 129 -12.685 20.255 18.827 964 HB2 LYS 129 1HB LYS 129 -14.914 19.095 18.949 965 HB3 LYS 129 2HB LYS 129 -14.048 17.580 19.252 966 HG2 LYS 129 1HG LYS 129 -13.076 18.509 21.296 967 HG3 LYS 129 2HG LYS 129 -13.779 20.098 20.938 968 HD2 LYS 129 1HD LYS 129 -16.040 19.097 21.071 969 HD3 LYS 129 2HD LYS 129 -15.301 17.554 21.550 970 HE2 LYS 129 1HE LYS 129 -14.299 18.641 23.530 971 HE3 LYS 129 2HE LYS 129 -14.989 20.200 23.033 972 HZ1 LYS 129 1HZ LYS 129 -17.196 19.247 23.302 973 HZ2 LYS 129 2HZ LYS 129 -16.349 19.127 24.713 974 HZ3 LYS 129 3HZ LYS 129 -16.560 17.795 23.764 975 H GLY 130 H GLY 130 -10.815 20.172 19.768 976 HA2 GLY 130 1HA GLY 130 -9.029 19.126 20.918 977 HA3 GLY 130 2HA GLY 130 -9.517 17.575 20.234 978 H PHE 131 H PHE 131 -8.712 20.675 18.586 979 HA PHE 131 HA PHE 131 -6.282 19.377 17.500 980 HB2 PHE 131 1HB PHE 131 -8.745 19.966 16.043 981 HB3 PHE 131 2HB PHE 131 -7.356 20.820 15.368 982 HD1 PHE 131 HD1 PHE 131 -5.434 19.610 14.477 983 HD2 PHE 131 HD2 PHE 131 -8.900 17.550 15.940 984 HE1 PHE 131 HE1 PHE 131 -4.690 17.538 13.303 985 HE2 PHE 131 HE2 PHE 131 -8.187 15.495 14.755 986 HZ PHE 131 HZ PHE 131 -6.071 15.493 13.428 987 H TYR 132 H TYR 132 -4.682 20.771 16.822 988 HA TYR 132 HA TYR 132 -5.180 23.671 16.804 989 HB2 TYR 132 1HB TYR 132 -3.368 24.188 18.360 990 HB3 TYR 132 2HB TYR 132 -4.657 23.297 19.166 991 HD1 TYR 132 HD1 TYR 132 -1.111 23.308 18.236 992 HD2 TYR 132 HD2 TYR 132 -4.298 20.855 19.785 993 HE1 TYR 132 HE1 TYR 132 0.559 21.698 19.155 994 HE2 TYR 132 HE2 TYR 132 -2.621 19.260 20.697 995 HH TYR 132 HH TYR 132 -0.419 18.807 21.017 996 H ALA 133 H ALA 133 -3.092 24.780 16.016 997 HA ALA 133 HA ALA 133 -1.904 22.998 13.955 998 HB1 ALA 133 1HB ALA 133 -3.090 25.003 13.139 999 HB2 ALA 133 2HB ALA 133 -1.353 25.096 12.777 1000 HB3 ALA 133 3HB ALA 133 -2.030 26.034 14.124 1001 H GLU 134 H GLU 134 0.289 22.896 13.568 1002 HA GLU 134 HA GLU 134 1.973 23.173 15.920 1003 HB2 GLU 134 1HB GLU 134 2.370 21.395 14.314 1004 HB3 GLU 134 2HB GLU 134 2.526 22.554 13.004 1005 HG2 GLU 134 1HG GLU 134 4.706 21.787 13.543 1006 HG3 GLU 134 2HG GLU 134 4.580 23.464 14.094 1007 H GLY 135 H GLY 135 3.412 24.748 16.434 1008 HA2 GLY 135 1HA GLY 135 4.651 26.716 16.154 1009 HA3 GLY 135 2HA GLY 135 3.981 26.915 14.528 1010 H SER 136 H SER 136 1.166 26.615 15.501 1011 HA SER 136 HA SER 136 0.786 29.433 16.138 1012 HB2 SER 136 1HB SER 136 -0.724 28.111 14.642 1013 HB3 SER 136 2HB SER 136 -1.275 27.209 16.067 1014 HG SER 136 HG SER 136 -2.619 29.017 15.531 1015 H ARG 137 H ARG 137 1.590 29.873 18.101 1016 HA ARG 137 HA ARG 137 1.715 30.051 20.390 1017 HB2 ARG 137 1HB ARG 137 -0.817 30.437 19.837 1018 HB3 ARG 137 2HB ARG 137 -1.050 28.884 20.645 1019 HG2 ARG 137 1HG ARG 137 0.660 30.573 22.264 1020 HG3 ARG 137 2HG ARG 137 -0.808 31.466 21.813 1021 HD2 ARG 137 1HD ARG 137 -2.194 29.601 22.626 1022 HD3 ARG 137 2HD ARG 137 -0.728 28.699 23.050 1023 HE ARG 137 HE ARG 137 -0.740 31.273 24.319 1024 HH11 ARG 137 1HH1 ARG 137 -2.143 28.052 24.606 1025 HH12 ARG 137 2HH1 ARG 137 -2.417 28.217 26.320 1026 HH21 ARG 137 1HH2 ARG 137 -1.108 31.415 26.512 1027 HH22 ARG 137 2HH2 ARG 137 -1.831 30.088 27.379 1028 H GLY 138 H GLY 138 2.572 27.564 19.095 1029 HA2 GLY 138 1HA GLY 138 1.917 25.361 20.851 1030 HA3 GLY 138 2HA GLY 138 3.229 25.430 19.659 1031 H GLY 139 H GLY 139 4.065 27.990 20.925 1032 HA2 GLY 139 1HA GLY 139 5.012 27.391 23.584 1033 HA3 GLY 139 2HA GLY 139 6.287 27.190 22.352 1034 H SER 140 H SER 140 7.234 29.095 23.561 1035 HA SER 140 HA SER 140 6.149 31.665 22.473 1036 HB2 SER 140 1HB SER 140 7.158 32.721 24.493 1037 HB3 SER 140 2HB SER 140 5.862 31.579 24.924 1038 HG SER 140 HG SER 140 8.559 30.750 24.760 Start of MODEL 33 1 H1 GLY 1 1H GLY 1 4.491 -1.862 5.900 2 H2 GLY 1 2H GLY 1 5.179 -1.670 4.414 3 H3 GLY 1 3H GLY 1 3.914 -0.716 4.864 4 HA2 GLY 1 1HA GLY 1 5.223 0.312 6.593 5 HA3 GLY 1 2HA GLY 1 6.585 -0.717 6.103 6 H ALA 2 H ALA 2 7.410 1.754 5.959 7 HA ALA 2 HA ALA 2 6.628 3.041 3.448 8 HB1 ALA 2 1HB ALA 2 7.427 4.391 5.396 9 HB2 ALA 2 2HB ALA 2 8.485 4.602 3.981 10 HB3 ALA 2 3HB ALA 2 8.999 3.552 5.322 11 H MET 3 H MET 3 7.524 2.606 1.491 12 HA MET 3 HA MET 3 9.990 0.911 1.391 13 HB2 MET 3 1HB MET 3 7.522 0.730 -0.393 14 HB3 MET 3 2HB MET 3 9.006 -0.212 -0.577 15 HG2 MET 3 1HG MET 3 7.067 -0.372 1.756 16 HG3 MET 3 2HG MET 3 7.204 -1.526 0.422 17 HE1 MET 3 1HE MET 3 8.743 -3.840 3.065 18 HE2 MET 3 2HE MET 3 7.752 -3.734 1.593 19 HE3 MET 3 3HE MET 3 7.238 -2.889 3.072 20 H GLY 4 H GLY 4 10.861 3.231 1.273 21 HA2 GLY 4 1HA GLY 4 12.044 4.427 -0.446 22 HA3 GLY 4 2HA GLY 4 10.629 4.243 -1.512 23 H LEU 5 H LEU 5 12.165 6.486 -0.101 24 HA LEU 5 HA LEU 5 9.791 7.961 0.956 25 HB2 LEU 5 1HB LEU 5 12.763 8.372 1.470 26 HB3 LEU 5 2HB LEU 5 11.484 9.420 2.061 27 HG LEU 5 HG LEU 5 11.852 6.512 2.855 28 HD11 LEU 5 1HD1 LEU 5 12.618 7.429 5.005 29 HD12 LEU 5 2HD1 LEU 5 12.457 9.085 4.368 30 HD13 LEU 5 3HD1 LEU 5 13.659 7.972 3.674 31 HD21 LEU 5 1HD2 LEU 5 10.213 7.067 4.654 32 HD22 LEU 5 2HD2 LEU 5 9.501 7.167 3.032 33 HD23 LEU 5 3HD2 LEU 5 9.950 8.658 3.898 34 HA PRO 6 HA PRO 6 10.428 10.326 -2.686 35 HB2 PRO 6 1HB PRO 6 9.375 12.767 -2.101 36 HB3 PRO 6 2HB PRO 6 8.343 11.308 -2.266 37 HG2 PRO 6 1HG PRO 6 9.458 12.562 0.239 38 HG3 PRO 6 2HG PRO 6 7.765 12.102 -0.131 39 HD2 PRO 6 1HD PRO 6 9.398 10.480 1.293 40 HD3 PRO 6 2HD PRO 6 8.212 9.811 0.117 41 H ASN 7 H ASN 7 11.764 11.973 -3.607 42 HA ASN 7 HA ASN 7 14.208 12.440 -2.202 43 HB2 ASN 7 1HB ASN 7 13.865 12.268 -4.708 44 HB3 ASN 7 2HB ASN 7 13.191 13.906 -4.661 45 HD21 ASN 7 1HD2 ASN 7 16.343 15.283 -5.039 46 HD22 ASN 7 2HD2 ASN 7 14.641 15.293 -5.424 47 H ASN 8 H ASN 8 11.268 14.342 -2.464 48 HA ASN 8 HA ASN 8 12.297 16.234 -0.495 49 HB2 ASN 8 1HB ASN 8 13.165 17.210 -2.599 50 HB3 ASN 8 2HB ASN 8 11.537 17.235 -3.279 51 HD21 ASN 8 1HD2 ASN 8 11.344 20.544 -2.173 52 HD22 ASN 8 2HD2 ASN 8 11.423 19.441 -3.524 53 H THR 9 H THR 9 9.825 17.361 -2.637 54 HA THR 9 HA THR 9 7.689 17.969 -2.166 55 HB THR 9 HB THR 9 6.124 16.088 -1.875 56 HG1 THR 9 HG1 THR 9 7.819 14.802 -0.741 57 HG21 THR 9 1HG2 THR 9 6.588 15.096 -4.077 58 HG22 THR 9 2HG2 THR 9 8.252 15.712 -4.023 59 HG23 THR 9 3HG2 THR 9 6.882 16.848 -4.115 60 H ALA 10 H ALA 10 8.258 19.181 -0.273 61 HA ALA 10 HA ALA 10 7.204 18.003 2.247 62 HB1 ALA 10 1HB ALA 10 9.541 18.959 2.253 63 HB2 ALA 10 2HB ALA 10 8.435 19.752 3.401 64 HB3 ALA 10 3HB ALA 10 8.840 20.549 1.862 65 H SER 11 H SER 11 5.423 18.866 3.221 66 HA SER 11 HA SER 11 3.558 20.385 1.721 67 HB2 SER 11 1HB SER 11 2.384 20.642 3.917 68 HB3 SER 11 2HB SER 11 2.873 18.969 3.586 69 HG SER 11 HG SER 11 3.811 20.760 5.510 70 H TRP 12 H TRP 12 2.986 22.556 1.739 71 HA TRP 12 HA TRP 12 5.057 24.457 2.239 72 HB2 TRP 12 1HB TRP 12 2.219 24.545 1.374 73 HB3 TRP 12 2HB TRP 12 2.876 26.020 2.098 74 HD1 TRP 12 HD1 TRP 12 2.919 24.078 -1.086 75 HE1 TRP 12 HE1 TRP 12 4.443 25.118 -2.810 76 HE3 TRP 12 HE3 TRP 12 5.213 27.448 1.988 77 HZ2 TRP 12 HZ2 TRP 12 6.430 27.147 -2.872 78 HZ3 TRP 12 HZ3 TRP 12 6.953 28.962 1.008 79 HH2 TRP 12 HH2 TRP 12 7.570 28.781 -1.401 80 H PHE 13 H PHE 13 2.697 23.074 4.325 81 HA PHE 13 HA PHE 13 2.987 25.364 6.188 82 HB2 PHE 13 1HB PHE 13 0.654 23.456 6.056 83 HB3 PHE 13 2HB PHE 13 0.729 25.037 6.844 84 HD1 PHE 13 HD1 PHE 13 0.972 27.099 5.354 85 HD2 PHE 13 HD2 PHE 13 -0.106 23.223 3.848 86 HE1 PHE 13 HE1 PHE 13 0.166 28.145 3.255 87 HE2 PHE 13 HE2 PHE 13 -0.946 24.265 1.759 88 HZ PHE 13 HZ PHE 13 -0.760 26.713 1.446 89 H THR 14 H THR 14 2.609 24.939 8.420 90 HA THR 14 HA THR 14 4.131 22.682 9.396 91 HB THR 14 HB THR 14 3.433 23.491 11.633 92 HG1 THR 14 HG1 THR 14 2.008 25.185 11.830 93 HG21 THR 14 1HG2 THR 14 4.239 25.777 9.803 94 HG22 THR 14 2HG2 THR 14 5.344 24.610 10.564 95 HG23 THR 14 3HG2 THR 14 4.407 25.738 11.569 96 H ALA 15 H ALA 15 3.156 21.198 11.081 97 HA ALA 15 HA ALA 15 0.878 19.910 9.831 98 HB1 ALA 15 1HB ALA 15 2.954 18.800 10.854 99 HB2 ALA 15 2HB ALA 15 1.377 18.090 11.248 100 HB3 ALA 15 3HB ALA 15 2.211 19.128 12.436 101 H LEU 16 H LEU 16 -1.117 19.493 10.721 102 HA LEU 16 HA LEU 16 -2.015 21.216 12.979 103 HB2 LEU 16 1HB LEU 16 -3.312 19.210 11.100 104 HB3 LEU 16 2HB LEU 16 -4.089 19.688 12.587 105 HG LEU 16 HG LEU 16 -3.447 21.524 10.299 106 HD11 LEU 16 1HD1 LEU 16 -5.882 21.568 9.995 107 HD12 LEU 16 2HD1 LEU 16 -6.093 20.467 11.378 108 HD13 LEU 16 3HD1 LEU 16 -5.288 19.898 9.900 109 HD21 LEU 16 1HD2 LEU 16 -4.883 23.140 11.603 110 HD22 LEU 16 2HD2 LEU 16 -3.304 22.803 12.324 111 HD23 LEU 16 3HD2 LEU 16 -4.765 22.033 12.990 112 H THR 17 H THR 17 -2.476 20.231 15.035 113 HA THR 17 HA THR 17 -1.446 17.418 15.282 114 HB THR 17 HB THR 17 -1.206 19.685 17.299 115 HG1 THR 17 HG1 THR 17 0.217 19.981 15.582 116 HG21 THR 17 1HG2 THR 17 0.361 18.103 18.413 117 HG22 THR 17 2HG2 THR 17 -0.148 16.835 17.270 118 HG23 THR 17 3HG2 THR 17 -1.321 17.541 18.415 119 H GLN 18 H GLN 18 -2.632 16.021 16.530 120 HA GLN 18 HA GLN 18 -5.344 17.027 17.289 121 HB2 GLN 18 1HB GLN 18 -5.365 15.390 15.492 122 HB3 GLN 18 2HB GLN 18 -4.309 14.320 16.379 123 HG2 GLN 18 1HG GLN 18 -6.565 13.419 16.392 124 HG3 GLN 18 2HG GLN 18 -6.110 13.867 18.031 125 HE21 GLN 18 1HE2 GLN 18 -9.582 15.083 16.741 126 HE22 GLN 18 2HE2 GLN 18 -8.689 13.647 16.254 127 H HIS 19 H HIS 19 -6.080 16.846 19.257 128 HA HIS 19 HA HIS 19 -4.939 14.728 21.041 129 HB2 HIS 19 1HB HIS 19 -4.064 16.924 21.813 130 HB3 HIS 19 2HB HIS 19 -5.702 17.583 21.804 131 HD1 HIS 19 HD1 HIS 19 -3.426 15.335 23.810 132 HD2 HIS 19 HD2 HIS 19 -7.327 16.790 23.929 133 HE1 HIS 19 HE1 HIS 19 -4.336 14.810 26.112 134 H GLY 20 H GLY 20 -6.666 13.333 20.683 135 HA2 GLY 20 1HA GLY 20 -9.197 13.794 21.797 136 HA3 GLY 20 2HA GLY 20 -9.296 14.291 20.094 137 H LYS 21 H LYS 21 -10.885 12.437 20.076 138 HA LYS 21 HA LYS 21 -9.533 9.780 20.032 139 HB2 LYS 21 1HB LYS 21 -12.464 10.557 20.116 140 HB3 LYS 21 2HB LYS 21 -11.858 8.899 20.006 141 HG2 LYS 21 1HG LYS 21 -10.599 9.296 22.172 142 HG3 LYS 21 2HG LYS 21 -11.445 10.848 22.300 143 HD2 LYS 21 1HD LYS 21 -12.686 9.328 23.635 144 HD3 LYS 21 2HD LYS 21 -13.630 9.527 22.146 145 HE2 LYS 21 1HE LYS 21 -12.688 7.396 21.272 146 HE3 LYS 21 2HE LYS 21 -11.719 7.219 22.748 147 HZ1 LYS 21 1HZ LYS 21 -13.746 5.914 22.854 148 HZ2 LYS 21 2HZ LYS 21 -14.682 7.256 22.638 149 HZ3 LYS 21 3HZ LYS 21 -13.781 7.090 24.011 150 H GLU 22 H GLU 22 -11.184 12.023 17.858 151 HA GLU 22 HA GLU 22 -11.460 9.942 15.804 152 HB2 GLU 22 1HB GLU 22 -12.344 11.752 14.422 153 HB3 GLU 22 2HB GLU 22 -13.194 11.647 15.960 154 HG2 GLU 22 1HG GLU 22 -12.055 13.576 16.818 155 HG3 GLU 22 2HG GLU 22 -10.972 13.624 15.412 156 H ASP 23 H ASP 23 -10.543 10.443 13.596 157 HA ASP 23 HA ASP 23 -7.689 10.810 13.932 158 HB2 ASP 23 1HB ASP 23 -9.397 9.450 12.168 159 HB3 ASP 23 2HB ASP 23 -8.664 10.703 11.160 160 H LEU 24 H LEU 24 -10.032 12.359 11.712 161 HA LEU 24 HA LEU 24 -9.620 15.060 12.417 162 HB2 LEU 24 1HB LEU 24 -7.362 14.889 11.420 163 HB3 LEU 24 2HB LEU 24 -8.021 14.120 9.994 164 HG LEU 24 HG LEU 24 -9.083 16.172 9.285 165 HD11 LEU 24 1HD1 LEU 24 -8.899 18.301 10.365 166 HD12 LEU 24 2HD1 LEU 24 -7.862 17.642 11.643 167 HD13 LEU 24 3HD1 LEU 24 -9.567 17.180 11.557 168 HD21 LEU 24 1HD2 LEU 24 -7.079 17.509 8.844 169 HD22 LEU 24 2HD2 LEU 24 -6.744 15.774 8.684 170 HD23 LEU 24 3HD2 LEU 24 -6.213 16.649 10.138 171 H LYS 25 H LYS 25 -11.336 16.158 11.383 172 HA LYS 25 HA LYS 25 -12.297 15.041 8.852 173 HB2 LYS 25 1HB LYS 25 -13.516 13.917 10.840 174 HB3 LYS 25 2HB LYS 25 -14.257 15.494 11.127 175 HG2 LYS 25 1HG LYS 25 -15.807 14.189 9.851 176 HG3 LYS 25 2HG LYS 25 -15.139 15.407 8.748 177 HD2 LYS 25 1HD LYS 25 -13.528 13.698 7.886 178 HD3 LYS 25 2HD LYS 25 -14.254 12.497 8.970 179 HE2 LYS 25 1HE LYS 25 -16.425 12.795 7.828 180 HE3 LYS 25 2HE LYS 25 -15.685 14.001 6.745 181 HZ1 LYS 25 1HZ LYS 25 -15.737 11.795 5.734 182 HZ2 LYS 25 2HZ LYS 25 -14.847 11.161 6.970 183 HZ3 LYS 25 3HZ LYS 25 -14.175 12.279 5.962 184 H PHE 26 H PHE 26 -12.994 16.539 7.502 185 HA PHE 26 HA PHE 26 -13.735 19.218 8.592 186 HB2 PHE 26 1HB PHE 26 -11.974 18.485 6.233 187 HB3 PHE 26 2HB PHE 26 -12.861 20.009 6.270 188 HD1 PHE 26 HD1 PHE 26 -12.650 20.973 8.999 189 HD2 PHE 26 HD2 PHE 26 -9.658 19.004 6.584 190 HE1 PHE 26 HE1 PHE 26 -10.860 22.031 10.338 191 HE2 PHE 26 HE2 PHE 26 -7.889 20.020 7.981 192 HZ PHE 26 HZ PHE 26 -8.465 21.540 9.835 193 HA PRO 27 HA PRO 27 -17.431 18.329 6.404 194 HB2 PRO 27 1HB PRO 27 -18.352 20.780 5.626 195 HB3 PRO 27 2HB PRO 27 -18.252 20.304 7.352 196 HG2 PRO 27 1HG PRO 27 -16.292 21.856 5.715 197 HG3 PRO 27 2HG PRO 27 -17.036 22.293 7.282 198 HD2 PRO 27 1HD PRO 27 -14.590 21.199 7.141 199 HD3 PRO 27 2HD PRO 27 -15.735 20.731 8.447 200 H ARG 28 H ARG 28 -18.657 18.687 4.256 201 HA ARG 28 HA ARG 28 -16.748 18.194 2.105 202 HB2 ARG 28 1HB ARG 28 -18.847 16.950 2.238 203 HB3 ARG 28 2HB ARG 28 -19.767 18.448 2.124 204 HG2 ARG 28 1HG ARG 28 -19.870 17.354 -0.004 205 HG3 ARG 28 2HG ARG 28 -18.857 18.793 -0.184 206 HD2 ARG 28 1HD ARG 28 -16.825 17.409 -0.069 207 HD3 ARG 28 2HD ARG 28 -17.808 15.965 0.226 208 HE ARG 28 HE ARG 28 -18.381 15.866 -2.018 209 HH11 ARG 28 1HH1 ARG 28 -16.742 18.956 -1.470 210 HH12 ARG 28 2HH1 ARG 28 -16.565 19.261 -3.176 211 HH21 ARG 28 1HH2 ARG 28 -18.120 16.342 -4.168 212 HH22 ARG 28 2HH2 ARG 28 -17.346 17.820 -4.667 213 H GLY 29 H GLY 29 -15.876 19.640 0.880 214 HA2 GLY 29 1HA GLY 29 -15.825 21.428 -0.635 215 HA3 GLY 29 2HA GLY 29 -17.422 21.931 -0.078 216 H GLN 30 H GLN 30 -15.258 21.478 2.542 217 HA GLN 30 HA GLN 30 -14.096 24.176 2.446 218 HB2 GLN 30 1HB GLN 30 -16.380 24.652 3.169 219 HB3 GLN 30 2HB GLN 30 -16.333 23.337 4.322 220 HG2 GLN 30 1HG GLN 30 -14.422 24.693 5.428 221 HG3 GLN 30 2HG GLN 30 -15.076 26.044 4.494 222 HE21 GLN 30 1HE2 GLN 30 -16.678 25.443 7.953 223 HE22 GLN 30 2HE2 GLN 30 -15.005 25.294 7.442 224 H GLY 31 H GLY 31 -12.251 24.201 3.904 225 HA2 GLY 31 1HA GLY 31 -11.651 23.056 6.170 226 HA3 GLY 31 2HA GLY 31 -11.779 21.571 5.229 227 H VAL 32 H VAL 32 -10.662 23.412 2.907 228 HA VAL 32 HA VAL 32 -7.941 22.552 3.317 229 HB VAL 32 HB VAL 32 -7.450 23.708 1.218 230 HG11 VAL 32 1HG1 VAL 32 -8.920 22.415 -0.255 231 HG12 VAL 32 2HG1 VAL 32 -10.015 22.122 1.106 232 HG13 VAL 32 3HG1 VAL 32 -8.361 21.468 1.126 233 HG21 VAL 32 1HG2 VAL 32 -9.197 24.756 -0.112 234 HG22 VAL 32 2HG2 VAL 32 -8.830 25.666 1.365 235 HG23 VAL 32 3HG2 VAL 32 -10.306 24.669 1.279 236 HA PRO 33 HA PRO 33 -6.593 26.104 5.520 237 HB2 PRO 33 1HB PRO 33 -3.901 25.877 5.223 238 HB3 PRO 33 2HB PRO 33 -4.870 24.698 6.160 239 HG2 PRO 33 1HG PRO 33 -3.855 24.522 3.388 240 HG3 PRO 33 2HG PRO 33 -3.810 23.316 4.699 241 HD2 PRO 33 1HD PRO 33 -5.652 23.302 2.706 242 HD3 PRO 33 2HD PRO 33 -5.981 22.647 4.348 243 H ILE 34 H ILE 34 -5.178 28.061 5.322 244 HA ILE 34 HA ILE 34 -5.754 29.377 2.791 245 HB ILE 34 HB ILE 34 -4.107 30.299 5.193 246 HG12 ILE 34 1HG1 ILE 34 -6.926 31.006 4.336 247 HG13 ILE 34 2HG1 ILE 34 -6.528 29.848 5.608 248 HG21 ILE 34 1HG2 ILE 34 -4.248 32.557 4.245 249 HG22 ILE 34 2HG2 ILE 34 -5.237 31.971 2.883 250 HG23 ILE 34 3HG2 ILE 34 -3.530 31.499 3.033 251 HD11 ILE 34 1HD1 ILE 34 -5.923 32.808 5.625 252 HD12 ILE 34 2HD1 ILE 34 -5.351 31.648 6.850 253 HD13 ILE 34 3HD1 ILE 34 -7.085 31.941 6.638 254 H ASN 35 H ASN 35 -4.622 29.098 1.069 255 HA ASN 35 HA ASN 35 -1.748 28.371 1.298 256 HB2 ASN 35 1HB ASN 35 -3.555 28.451 -1.128 257 HB3 ASN 35 2HB ASN 35 -1.867 27.963 -1.139 258 HD21 ASN 35 1HD2 ASN 35 -3.957 24.928 -1.027 259 HD22 ASN 35 2HD2 ASN 35 -3.737 26.282 -2.124 260 H THR 36 H THR 36 -0.998 30.336 2.047 261 HA THR 36 HA THR 36 -1.725 32.883 1.069 262 HB THR 36 HB THR 36 0.312 33.674 2.242 263 HG1 THR 36 HG1 THR 36 1.836 32.224 2.914 264 HG21 THR 36 1HG2 THR 36 -0.129 32.761 4.438 265 HG22 THR 36 2HG2 THR 36 -0.923 31.335 3.735 266 HG23 THR 36 3HG2 THR 36 -1.673 32.944 3.582 267 H ASN 37 H ASN 37 0.509 30.630 -0.313 268 HA ASN 37 HA ASN 37 1.680 32.792 -1.993 269 HB2 ASN 37 1HB ASN 37 3.633 31.389 -2.212 270 HB3 ASN 37 2HB ASN 37 3.270 31.598 -0.501 271 HD21 ASN 37 1HD2 ASN 37 2.467 28.184 0.043 272 HD22 ASN 37 2HD2 ASN 37 2.219 29.818 0.619 273 H SER 38 H SER 38 -0.856 30.963 -2.400 274 HA SER 38 HA SER 38 -0.008 30.024 -5.097 275 HB2 SER 38 1HB SER 38 -1.926 28.518 -3.360 276 HB3 SER 38 2HB SER 38 -1.005 27.946 -4.768 277 HG SER 38 HG SER 38 -0.345 27.785 -2.246 278 H SER 39 H SER 39 -1.911 29.236 -6.409 279 HA SER 39 HA SER 39 -3.657 31.534 -6.790 280 HB2 SER 39 1HB SER 39 -3.409 28.886 -8.266 281 HB3 SER 39 2HB SER 39 -4.275 30.318 -8.854 282 HG SER 39 HG SER 39 -2.137 30.137 -9.691 283 HA PRO 40 HA PRO 40 -7.253 29.873 -4.933 284 HB2 PRO 40 1HB PRO 40 -9.339 30.524 -6.580 285 HB3 PRO 40 2HB PRO 40 -8.444 31.748 -5.621 286 HG2 PRO 40 1HG PRO 40 -8.015 30.932 -8.491 287 HG3 PRO 40 2HG PRO 40 -8.272 32.571 -7.818 288 HD2 PRO 40 1HD PRO 40 -5.797 31.698 -8.309 289 HD3 PRO 40 2HD PRO 40 -6.141 32.612 -6.799 290 H ASP 41 H ASP 41 -6.531 28.841 -8.223 291 HA ASP 41 HA ASP 41 -8.494 26.736 -8.308 292 HB2 ASP 41 1HB ASP 41 -7.532 26.098 -10.292 293 HB3 ASP 41 2HB ASP 41 -7.048 27.798 -10.238 294 H ASP 42 H ASP 42 -5.422 27.150 -6.746 295 HA ASP 42 HA ASP 42 -4.751 24.329 -6.780 296 HB2 ASP 42 1HB ASP 42 -2.709 25.096 -6.559 297 HB3 ASP 42 2HB ASP 42 -3.361 26.731 -6.642 298 H GLN 43 H GLN 43 -6.687 26.149 -4.746 299 HA GLN 43 HA GLN 43 -5.813 25.438 -2.187 300 HB2 GLN 43 1HB GLN 43 -8.668 25.824 -3.062 301 HB3 GLN 43 2HB GLN 43 -8.027 26.045 -1.434 302 HG2 GLN 43 1HG GLN 43 -7.290 27.725 -3.862 303 HG3 GLN 43 2HG GLN 43 -8.460 28.188 -2.634 304 HE21 GLN 43 1HE2 GLN 43 -4.721 29.291 -2.192 305 HE22 GLN 43 2HE2 GLN 43 -5.443 28.778 -3.695 306 H ILE 44 H ILE 44 -7.558 23.455 -4.467 307 HA ILE 44 HA ILE 44 -8.655 21.541 -2.672 308 HB ILE 44 HB ILE 44 -9.322 21.752 -5.026 309 HG12 ILE 44 1HG1 ILE 44 -8.193 18.979 -4.727 310 HG13 ILE 44 2HG1 ILE 44 -9.495 19.567 -3.692 311 HG21 ILE 44 1HG2 ILE 44 -7.878 20.837 -6.836 312 HG22 ILE 44 2HG2 ILE 44 -6.552 20.671 -5.688 313 HG23 ILE 44 3HG2 ILE 44 -7.192 22.280 -6.085 314 HD11 ILE 44 1HD1 ILE 44 -10.902 20.024 -5.693 315 HD12 ILE 44 2HD1 ILE 44 -10.420 18.320 -5.608 316 HD13 ILE 44 3HD1 ILE 44 -9.605 19.411 -6.740 317 H GLY 45 H GLY 45 -7.956 19.663 -1.765 318 HA2 GLY 45 1HA GLY 45 -5.570 18.297 -2.459 319 HA3 GLY 45 2HA GLY 45 -5.176 19.467 -1.185 320 H TYR 46 H TYR 46 -4.690 17.762 0.258 321 HA TYR 46 HA TYR 46 -7.091 16.856 1.684 322 HB2 TYR 46 1HB TYR 46 -6.513 14.504 1.613 323 HB3 TYR 46 2HB TYR 46 -6.696 15.086 -0.037 324 HD1 TYR 46 HD1 TYR 46 -4.420 13.819 2.513 325 HD2 TYR 46 HD2 TYR 46 -4.693 15.362 -1.492 326 HE1 TYR 46 HE1 TYR 46 -2.124 12.925 1.963 327 HE2 TYR 46 HE2 TYR 46 -2.406 14.507 -2.003 328 HH TYR 46 HH TYR 46 -0.444 12.787 0.416 329 H TYR 47 H TYR 47 -6.353 15.704 3.749 330 HA TYR 47 HA TYR 47 -3.658 16.759 4.559 331 HB2 TYR 47 1HB TYR 47 -6.085 16.107 6.221 332 HB3 TYR 47 2HB TYR 47 -4.502 16.413 6.885 333 HD1 TYR 47 HD1 TYR 47 -3.852 18.563 7.521 334 HD2 TYR 47 HD2 TYR 47 -7.145 18.117 4.779 335 HE1 TYR 47 HE1 TYR 47 -4.398 20.977 7.760 336 HE2 TYR 47 HE2 TYR 47 -7.667 20.540 5.035 337 HH TYR 47 HH TYR 47 -7.228 22.462 6.194 338 H ARG 48 H ARG 48 -2.249 15.345 5.484 339 HA ARG 48 HA ARG 48 -2.938 12.432 5.240 340 HB2 ARG 48 1HB ARG 48 -1.287 13.496 3.631 341 HB3 ARG 48 2HB ARG 48 -0.236 13.818 4.996 342 HG2 ARG 48 1HG ARG 48 0.057 11.466 5.412 343 HG3 ARG 48 2HG ARG 48 -1.174 11.056 4.203 344 HD2 ARG 48 1HD ARG 48 0.210 12.174 2.460 345 HD3 ARG 48 2HD ARG 48 1.471 12.455 3.669 346 HE ARG 48 HE ARG 48 0.763 9.921 2.364 347 HH11 ARG 48 1HH1 ARG 48 2.551 11.399 5.025 348 HH12 ARG 48 2HH1 ARG 48 3.617 10.032 5.190 349 HH21 ARG 48 1HH2 ARG 48 2.147 8.213 2.641 350 HH22 ARG 48 2HH2 ARG 48 3.383 8.255 3.866 351 H ARG 49 H ARG 49 -2.882 11.302 7.141 352 HA ARG 49 HA ARG 49 -1.913 12.588 9.555 353 HB2 ARG 49 1HB ARG 49 -3.015 10.976 10.648 354 HB3 ARG 49 2HB ARG 49 -3.696 10.598 9.070 355 HG2 ARG 49 1HG ARG 49 -1.895 8.854 8.788 356 HG3 ARG 49 2HG ARG 49 -1.414 9.164 10.467 357 HD2 ARG 49 1HD ARG 49 -4.165 8.237 9.541 358 HD3 ARG 49 2HD ARG 49 -2.936 7.196 10.261 359 HE ARG 49 HE ARG 49 -4.775 9.038 11.605 360 HH11 ARG 49 1HH1 ARG 49 -1.765 7.216 12.020 361 HH12 ARG 49 2HH1 ARG 49 -1.893 7.258 13.758 362 HH21 ARG 49 1HH2 ARG 49 -4.877 9.030 13.750 363 HH22 ARG 49 2HH2 ARG 49 -3.632 8.276 14.736 364 H ALA 50 H ALA 50 -0.140 12.145 10.831 365 HA ALA 50 HA ALA 50 1.919 10.290 9.796 366 HB1 ALA 50 1HB ALA 50 2.489 12.417 8.717 367 HB2 ALA 50 2HB ALA 50 3.657 12.083 10.026 368 HB3 ALA 50 3HB ALA 50 2.352 13.269 10.275 369 H THR 51 H THR 51 3.243 9.495 11.327 370 HA THR 51 HA THR 51 3.259 10.613 14.078 371 HB THR 51 HB THR 51 3.108 8.272 15.001 372 HG1 THR 51 HG1 THR 51 2.239 6.674 13.543 373 HG21 THR 51 1HG2 THR 51 0.710 7.950 14.808 374 HG22 THR 51 2HG2 THR 51 0.648 8.970 13.351 375 HG23 THR 51 3HG2 THR 51 1.058 9.686 14.930 376 H ARG 52 H ARG 52 5.173 9.381 15.224 377 HA ARG 52 HA ARG 52 7.089 8.294 13.238 378 HB2 ARG 52 1HB ARG 52 7.380 10.870 13.782 379 HB3 ARG 52 2HB ARG 52 8.123 10.263 15.262 380 HG2 ARG 52 1HG ARG 52 9.993 10.437 13.937 381 HG3 ARG 52 2HG ARG 52 9.528 8.775 13.533 382 HD2 ARG 52 1HD ARG 52 8.748 11.259 11.934 383 HD3 ARG 52 2HD ARG 52 10.093 10.187 11.522 384 HE ARG 52 HE ARG 52 7.181 9.567 11.345 385 HH11 ARG 52 1HH1 ARG 52 10.506 8.531 10.654 386 HH12 ARG 52 2HH1 ARG 52 9.972 7.232 9.625 387 HH21 ARG 52 1HH2 ARG 52 6.600 7.908 10.037 388 HH22 ARG 52 2HH2 ARG 52 7.797 6.898 9.265 389 H ARG 53 H ARG 53 7.936 6.469 13.884 390 HA ARG 53 HA ARG 53 8.421 6.033 16.772 391 HB2 ARG 53 1HB ARG 53 6.131 5.144 16.029 392 HB3 ARG 53 2HB ARG 53 7.001 3.985 15.021 393 HG2 ARG 53 1HG ARG 53 7.833 4.115 17.864 394 HG3 ARG 53 2HG ARG 53 6.178 3.564 17.579 395 HD2 ARG 53 1HD ARG 53 7.013 1.796 16.078 396 HD3 ARG 53 2HD ARG 53 8.683 2.331 16.379 397 HE ARG 53 HE ARG 53 7.522 1.916 18.901 398 HH11 ARG 53 1HH1 ARG 53 8.247 -0.136 16.115 399 HH12 ARG 53 2HH1 ARG 53 8.442 -1.556 17.107 400 HH21 ARG 53 1HH2 ARG 53 7.801 0.089 20.087 401 HH22 ARG 53 2HH2 ARG 53 8.184 -1.430 19.321 402 H ILE 54 H ILE 54 10.064 4.946 17.257 403 HA ILE 54 HA ILE 54 11.582 3.443 15.201 404 HB ILE 54 HB ILE 54 13.620 4.567 15.606 405 HG12 ILE 54 1HG1 ILE 54 13.685 4.816 17.978 406 HG13 ILE 54 2HG1 ILE 54 14.002 6.375 17.245 407 HG21 ILE 54 1HG2 ILE 54 13.303 6.876 14.919 408 HG22 ILE 54 2HG2 ILE 54 11.613 6.843 15.470 409 HG23 ILE 54 3HG2 ILE 54 12.125 5.833 14.097 410 HD11 ILE 54 1HD1 ILE 54 12.611 6.695 19.166 411 HD12 ILE 54 2HD1 ILE 54 11.434 5.490 18.604 412 HD13 ILE 54 3HD1 ILE 54 11.628 7.026 17.725 413 H ARG 55 H ARG 55 13.592 2.456 16.636 414 HA ARG 55 HA ARG 55 12.528 1.753 19.344 415 HB2 ARG 55 1HB ARG 55 12.222 -0.129 17.666 416 HB3 ARG 55 2HB ARG 55 13.979 -0.159 17.467 417 HG2 ARG 55 1HG ARG 55 13.410 -0.261 20.272 418 HG3 ARG 55 2HG ARG 55 12.360 -1.439 19.476 419 HD2 ARG 55 1HD ARG 55 15.368 -1.275 19.027 420 HD3 ARG 55 2HD ARG 55 14.608 -2.315 20.244 421 HE ARG 55 HE ARG 55 13.423 -2.817 17.695 422 HH11 ARG 55 1HH1 ARG 55 16.415 -3.446 19.458 423 HH12 ARG 55 2HH1 ARG 55 16.754 -4.895 18.551 424 HH21 ARG 55 1HH2 ARG 55 13.924 -4.684 16.576 425 HH22 ARG 55 2HH2 ARG 55 15.369 -5.579 16.953 426 H GLY 56 H GLY 56 13.951 2.526 20.824 427 HA2 GLY 56 1HA GLY 56 16.719 3.120 20.051 428 HA3 GLY 56 2HA GLY 56 15.970 3.354 21.650 429 H GLY 57 H GLY 57 18.382 2.287 21.963 430 HA2 GLY 57 1HA GLY 57 18.620 -0.504 21.450 431 HA3 GLY 57 2HA GLY 57 19.558 0.414 22.640 432 H ASP 58 H ASP 58 17.637 1.265 24.391 433 HA ASP 58 HA ASP 58 17.067 -1.143 25.915 434 HB2 ASP 58 1HB ASP 58 15.710 1.402 26.654 435 HB3 ASP 58 2HB ASP 58 16.646 0.290 27.656 436 H GLY 59 H GLY 59 15.534 0.424 23.386 437 HA2 GLY 59 1HA GLY 59 13.576 -0.551 22.396 438 HA3 GLY 59 2HA GLY 59 12.966 -0.950 24.008 439 H LYS 60 H LYS 60 14.092 1.926 24.665 440 HA LYS 60 HA LYS 60 11.645 3.196 24.786 441 HB2 LYS 60 1HB LYS 60 12.731 5.163 25.431 442 HB3 LYS 60 2HB LYS 60 13.426 3.734 26.194 443 HG2 LYS 60 1HG LYS 60 15.127 3.997 24.120 444 HG3 LYS 60 2HG LYS 60 14.666 5.707 24.410 445 HD2 LYS 60 1HD LYS 60 14.884 5.178 26.853 446 HD3 LYS 60 2HD LYS 60 15.599 3.641 26.364 447 HE2 LYS 60 1HE LYS 60 17.324 5.022 25.039 448 HE3 LYS 60 2HE LYS 60 16.704 6.448 25.903 449 HZ1 LYS 60 1HZ LYS 60 18.589 5.574 27.088 450 HZ2 LYS 60 2HZ LYS 60 17.990 4.037 27.090 451 HZ3 LYS 60 3HZ LYS 60 17.263 5.211 28.001 452 H MET 61 H MET 61 10.549 4.555 23.589 453 HA MET 61 HA MET 61 11.548 5.125 20.862 454 HB2 MET 61 1HB MET 61 9.232 4.501 20.113 455 HB3 MET 61 2HB MET 61 10.259 3.190 20.695 456 HG2 MET 61 1HG MET 61 9.113 3.076 22.794 457 HG3 MET 61 2HG MET 61 8.123 4.497 22.383 458 HE1 MET 61 1HE MET 61 5.720 3.319 19.816 459 HE2 MET 61 2HE MET 61 7.079 4.483 19.902 460 HE3 MET 61 3HE MET 61 5.943 4.310 21.268 461 H LYS 62 H LYS 62 10.168 6.618 19.644 462 HA LYS 62 HA LYS 62 9.918 9.094 21.134 463 HB2 LYS 62 1HB LYS 62 9.831 8.210 18.276 464 HB3 LYS 62 2HB LYS 62 9.033 9.742 18.709 465 HG2 LYS 62 1HG LYS 62 11.252 10.265 19.983 466 HG3 LYS 62 2HG LYS 62 11.948 9.042 18.907 467 HD2 LYS 62 1HD LYS 62 11.097 10.288 16.970 468 HD3 LYS 62 2HD LYS 62 10.370 11.468 18.075 469 HE2 LYS 62 1HE LYS 62 12.663 11.922 19.017 470 HE3 LYS 62 2HE LYS 62 13.341 10.896 17.740 471 HZ1 LYS 62 1HZ LYS 62 13.415 13.244 17.151 472 HZ2 LYS 62 2HZ LYS 62 11.779 13.387 17.303 473 HZ3 LYS 62 3HZ LYS 62 12.418 12.445 16.108 474 H ASP 63 H ASP 63 7.632 7.442 18.970 475 HA ASP 63 HA ASP 63 5.385 7.475 18.810 476 HB2 ASP 63 1HB ASP 63 6.047 6.493 21.261 477 HB3 ASP 63 2HB ASP 63 4.896 7.738 21.724 478 H LEU 64 H LEU 64 6.277 9.914 18.217 479 HA LEU 64 HA LEU 64 5.177 12.059 19.736 480 HB2 LEU 64 1HB LEU 64 6.320 11.686 17.050 481 HB3 LEU 64 2HB LEU 64 5.046 12.908 17.108 482 HG LEU 64 HG LEU 64 6.239 14.121 18.878 483 HD11 LEU 64 1HD1 LEU 64 8.623 13.511 19.378 484 HD12 LEU 64 2HD1 LEU 64 8.351 11.965 18.537 485 HD13 LEU 64 3HD1 LEU 64 7.445 12.349 20.013 486 HD21 LEU 64 1HD2 LEU 64 8.087 14.941 17.476 487 HD22 LEU 64 2HD2 LEU 64 6.627 14.665 16.508 488 HD23 LEU 64 3HD2 LEU 64 7.965 13.492 16.447 489 H SER 65 H SER 65 3.300 13.146 19.663 490 HA SER 65 HA SER 65 0.944 11.682 19.343 491 HB2 SER 65 1HB SER 65 -0.194 13.900 19.574 492 HB3 SER 65 2HB SER 65 1.078 13.633 20.783 493 HG SER 65 HG SER 65 1.067 15.734 19.708 494 HA PRO 66 HA PRO 66 0.140 11.743 15.110 495 HB2 PRO 66 1HB PRO 66 -2.606 11.844 14.930 496 HB3 PRO 66 2HB PRO 66 -1.713 10.388 15.481 497 HG2 PRO 66 1HG PRO 66 -2.975 12.561 17.144 498 HG3 PRO 66 2HG PRO 66 -3.179 10.783 17.270 499 HD2 PRO 66 1HD PRO 66 -1.459 12.073 18.863 500 HD3 PRO 66 2HD PRO 66 -1.005 10.488 18.140 501 H ARG 67 H ARG 67 0.134 13.127 13.497 502 HA ARG 67 HA ARG 67 -1.219 15.744 13.813 503 HB2 ARG 67 1HB ARG 67 0.991 16.724 12.868 504 HB3 ARG 67 2HB ARG 67 0.841 16.405 14.582 505 HG2 ARG 67 1HG ARG 67 2.045 14.157 14.124 506 HG3 ARG 67 2HG ARG 67 2.434 14.846 12.539 507 HD2 ARG 67 1HD ARG 67 4.238 15.258 14.079 508 HD3 ARG 67 2HD ARG 67 3.429 16.794 13.713 509 HE ARG 67 HE ARG 67 2.720 15.243 16.172 510 HH11 ARG 67 1HH1 ARG 67 3.958 18.253 14.764 511 HH12 ARG 67 2HH1 ARG 67 3.892 19.118 16.274 512 HH21 ARG 67 1HH2 ARG 67 2.679 16.396 18.067 513 HH22 ARG 67 2HH2 ARG 67 3.178 18.072 18.106 514 H TRP 68 H TRP 68 -1.443 16.850 11.785 515 HA TRP 68 HA TRP 68 -1.379 14.945 9.475 516 HB2 TRP 68 1HB TRP 68 -3.504 16.914 10.360 517 HB3 TRP 68 2HB TRP 68 -3.467 16.179 8.756 518 HD1 TRP 68 HD1 TRP 68 -3.629 14.961 12.458 519 HE1 TRP 68 HE1 TRP 68 -5.066 12.861 12.597 520 HE3 TRP 68 HE3 TRP 68 -4.547 14.393 7.471 521 HZ2 TRP 68 HZ2 TRP 68 -6.386 11.146 10.761 522 HZ3 TRP 68 HZ3 TRP 68 -5.973 12.493 6.713 523 HH2 TRP 68 HH2 TRP 68 -6.883 10.875 8.370 524 H TYR 69 H TYR 69 -0.667 15.726 7.560 525 HA TYR 69 HA TYR 69 0.198 18.611 7.517 526 HB2 TYR 69 1HB TYR 69 1.334 16.133 6.161 527 HB3 TYR 69 2HB TYR 69 1.862 17.782 5.818 528 HD1 TYR 69 HD1 TYR 69 3.670 18.696 7.016 529 HD2 TYR 69 HD2 TYR 69 1.548 15.354 8.716 530 HE1 TYR 69 HE1 TYR 69 5.367 18.533 8.837 531 HE2 TYR 69 HE2 TYR 69 3.230 15.236 10.554 532 HH TYR 69 HH TYR 69 5.139 16.093 11.434 533 H PHE 70 H PHE 70 -0.476 19.807 5.696 534 HA PHE 70 HA PHE 70 -2.608 18.559 4.105 535 HB2 PHE 70 1HB PHE 70 -2.991 20.799 5.067 536 HB3 PHE 70 2HB PHE 70 -1.585 21.419 4.196 537 HD1 PHE 70 HD1 PHE 70 -4.920 19.784 3.641 538 HD2 PHE 70 HD2 PHE 70 -1.827 22.277 1.998 539 HE1 PHE 70 HE1 PHE 70 -6.395 20.327 1.701 540 HE2 PHE 70 HE2 PHE 70 -3.296 22.822 0.055 541 HZ PHE 70 HZ PHE 70 -5.591 21.857 -0.081 542 H TYR 71 H TYR 71 -2.448 18.111 2.007 543 HA TYR 71 HA TYR 71 0.075 18.805 0.597 544 HB2 TYR 71 1HB TYR 71 -0.929 16.183 1.541 545 HB3 TYR 71 2HB TYR 71 -0.275 16.214 -0.123 546 HD1 TYR 71 HD1 TYR 71 2.138 17.212 -0.401 547 HD2 TYR 71 HD2 TYR 71 0.492 16.032 3.398 548 HE1 TYR 71 HE1 TYR 71 4.438 17.139 0.581 549 HE2 TYR 71 HE2 TYR 71 2.796 15.940 4.357 550 HH TYR 71 HH TYR 71 5.005 16.211 3.995 551 H TYR 72 H TYR 72 -0.231 19.101 -1.536 552 HA TYR 72 HA TYR 72 -2.890 19.743 -2.365 553 HB2 TYR 72 1HB TYR 72 -0.327 19.606 -3.980 554 HB3 TYR 72 2HB TYR 72 -1.811 20.461 -4.422 555 HD1 TYR 72 HD1 TYR 72 1.180 20.486 -2.246 556 HD2 TYR 72 HD2 TYR 72 -2.476 22.536 -3.237 557 HE1 TYR 72 HE1 TYR 72 1.927 22.470 -0.941 558 HE2 TYR 72 HE2 TYR 72 -1.700 24.505 -1.954 559 HH TYR 72 HH TYR 72 -0.096 25.418 -0.698 560 H LEU 73 H LEU 73 -3.922 19.051 -4.340 561 HA LEU 73 HA LEU 73 -4.421 16.295 -4.410 562 HB2 LEU 73 1HB LEU 73 -5.503 18.521 -5.534 563 HB3 LEU 73 2HB LEU 73 -4.704 17.846 -6.942 564 HG LEU 73 HG LEU 73 -6.920 16.595 -5.298 565 HD11 LEU 73 1HD1 LEU 73 -8.203 16.848 -7.319 566 HD12 LEU 73 2HD1 LEU 73 -6.770 17.365 -8.229 567 HD13 LEU 73 3HD1 LEU 73 -7.440 18.404 -6.957 568 HD21 LEU 73 1HD2 LEU 73 -6.908 14.779 -7.041 569 HD22 LEU 73 2HD2 LEU 73 -5.533 14.733 -5.932 570 HD23 LEU 73 3HD2 LEU 73 -5.322 15.376 -7.579 571 H GLY 74 H GLY 74 -3.341 14.588 -5.205 572 HA2 GLY 74 1HA GLY 74 -2.001 13.337 -6.588 573 HA3 GLY 74 2HA GLY 74 -2.013 14.683 -7.725 574 H THR 75 H THR 75 -0.652 14.783 -4.376 575 HA THR 75 HA THR 75 1.912 15.591 -5.623 576 HB THR 75 HB THR 75 2.524 15.598 -3.016 577 HG1 THR 75 HG1 THR 75 -0.279 16.081 -2.895 578 HG21 THR 75 1HG2 THR 75 2.485 17.640 -4.281 579 HG22 THR 75 2HG2 THR 75 1.519 17.889 -2.812 580 HG23 THR 75 3HG2 THR 75 0.706 17.616 -4.371 581 H GLY 76 H GLY 76 3.825 14.430 -5.366 582 HA2 GLY 76 1HA GLY 76 5.113 12.542 -4.678 583 HA3 GLY 76 2HA GLY 76 3.622 11.663 -4.276 584 HA PRO 77 HA PRO 77 4.908 11.492 -8.909 585 HB2 PRO 77 1HB PRO 77 6.678 9.415 -9.185 586 HB3 PRO 77 2HB PRO 77 7.174 11.090 -8.824 587 HG2 PRO 77 1HG PRO 77 6.787 8.818 -6.901 588 HG3 PRO 77 2HG PRO 77 8.187 9.925 -7.072 589 HD2 PRO 77 1HD PRO 77 6.277 10.349 -5.212 590 HD3 PRO 77 2HD PRO 77 7.040 11.718 -6.093 591 H GLU 78 H GLU 78 4.764 8.578 -6.879 592 HA GLU 78 HA GLU 78 2.930 7.316 -8.883 593 HB2 GLU 78 1HB GLU 78 4.821 6.056 -6.863 594 HB3 GLU 78 2HB GLU 78 3.696 5.158 -7.896 595 HG2 GLU 78 1HG GLU 78 4.844 5.970 -9.900 596 HG3 GLU 78 2HG GLU 78 5.962 6.914 -8.899 597 H ALA 79 H ALA 79 2.059 9.238 -7.058 598 HA ALA 79 HA ALA 79 1.154 8.147 -4.582 599 HB1 ALA 79 1HB ALA 79 1.342 10.547 -5.111 600 HB2 ALA 79 2HB ALA 79 -0.274 10.124 -4.503 601 HB3 ALA 79 3HB ALA 79 -0.016 10.409 -6.244 602 H GLY 80 H GLY 80 -0.356 8.346 -7.801 603 HA2 GLY 80 1HA GLY 80 -2.173 7.247 -8.683 604 HA3 GLY 80 2HA GLY 80 -1.920 6.022 -7.433 605 H LEU 81 H LEU 81 -2.648 9.363 -6.524 606 HA LEU 81 HA LEU 81 -5.259 8.380 -5.545 607 HB2 LEU 81 1HB LEU 81 -3.169 10.257 -4.482 608 HB3 LEU 81 2HB LEU 81 -4.833 10.436 -4.001 609 HG LEU 81 HG LEU 81 -3.150 7.976 -3.518 610 HD11 LEU 81 1HD1 LEU 81 -4.165 10.152 -1.632 611 HD12 LEU 81 2HD1 LEU 81 -2.494 9.998 -2.224 612 HD13 LEU 81 3HD1 LEU 81 -3.181 8.745 -1.183 613 HD21 LEU 81 1HD2 LEU 81 -5.990 8.661 -2.628 614 HD22 LEU 81 2HD2 LEU 81 -5.052 7.270 -2.070 615 HD23 LEU 81 3HD2 LEU 81 -5.530 7.381 -3.774 616 HA PRO 82 HA PRO 82 -6.858 11.820 -8.029 617 HB2 PRO 82 1HB PRO 82 -9.273 10.667 -8.520 618 HB3 PRO 82 2HB PRO 82 -7.811 10.181 -9.442 619 HG2 PRO 82 1HG PRO 82 -9.116 8.840 -7.092 620 HG3 PRO 82 2HG PRO 82 -8.483 8.117 -8.593 621 HD2 PRO 82 1HD PRO 82 -7.129 8.137 -6.255 622 HD3 PRO 82 2HD PRO 82 -6.344 8.084 -7.851 623 H TYR 83 H TYR 83 -8.822 13.178 -7.426 624 HA TYR 83 HA TYR 83 -8.969 13.504 -4.603 625 HB2 TYR 83 1HB TYR 83 -9.424 15.276 -6.291 626 HB3 TYR 83 2HB TYR 83 -10.930 14.452 -6.713 627 HD1 TYR 83 HD1 TYR 83 -9.154 16.417 -4.127 628 HD2 TYR 83 HD2 TYR 83 -12.866 14.518 -5.182 629 HE1 TYR 83 HE1 TYR 83 -10.296 17.612 -2.279 630 HE2 TYR 83 HE2 TYR 83 -14.000 15.710 -3.309 631 HH TYR 83 HH TYR 83 -13.743 17.084 -1.508 632 H GLY 84 H GLY 84 -10.220 12.602 -3.080 633 HA2 GLY 84 1HA GLY 84 -12.194 11.673 -2.219 634 HA3 GLY 84 2HA GLY 84 -12.751 11.308 -3.852 635 H ALA 85 H ALA 85 -9.655 10.127 -3.888 636 HA ALA 85 HA ALA 85 -10.568 7.418 -3.659 637 HB1 ALA 85 1HB ALA 85 -8.760 7.765 -5.064 638 HB2 ALA 85 2HB ALA 85 -8.089 6.907 -3.666 639 HB3 ALA 85 3HB ALA 85 -7.839 8.667 -3.841 640 H ASN 86 H ASN 86 -10.814 6.120 -2.075 641 HA ASN 86 HA ASN 86 -10.457 6.990 0.651 642 HB2 ASN 86 1HB ASN 86 -11.255 4.383 -0.672 643 HB3 ASN 86 2HB ASN 86 -11.114 4.538 1.088 644 HD21 ASN 86 1HD2 ASN 86 -14.535 5.486 -0.555 645 HD22 ASN 86 2HD2 ASN 86 -13.342 4.379 -1.188 646 H LYS 87 H LYS 87 -8.723 6.789 1.933 647 HA LYS 87 HA LYS 87 -6.921 4.495 1.659 648 HB2 LYS 87 1HB LYS 87 -6.062 6.120 -0.013 649 HB3 LYS 87 2HB LYS 87 -5.930 7.332 1.237 650 HG2 LYS 87 1HG LYS 87 -4.068 6.354 2.232 651 HG3 LYS 87 2HG LYS 87 -4.476 4.724 1.642 652 HD2 LYS 87 1HD LYS 87 -3.599 6.976 -0.162 653 HD3 LYS 87 2HD LYS 87 -2.459 5.843 0.566 654 HE2 LYS 87 1HE LYS 87 -4.822 4.904 -1.104 655 HE3 LYS 87 2HE LYS 87 -3.277 5.355 -1.845 656 HZ1 LYS 87 1HZ LYS 87 -3.644 3.224 0.175 657 HZ2 LYS 87 2HZ LYS 87 -2.209 3.639 -0.529 658 HZ3 LYS 87 3HZ LYS 87 -3.419 2.989 -1.443 659 H ASP 88 H ASP 88 -5.630 4.256 3.526 660 HA ASP 88 HA ASP 88 -6.799 5.178 5.960 661 HB2 ASP 88 1HB ASP 88 -5.478 3.092 5.777 662 HB3 ASP 88 2HB ASP 88 -4.029 4.043 5.410 663 H GLY 89 H GLY 89 -6.487 6.960 7.140 664 HA2 GLY 89 1HA GLY 89 -5.532 8.878 7.946 665 HA3 GLY 89 2HA GLY 89 -3.996 8.341 7.263 666 H ILE 90 H ILE 90 -6.815 8.848 5.203 667 HA ILE 90 HA ILE 90 -5.603 11.414 4.264 668 HB ILE 90 HB ILE 90 -6.772 9.173 2.527 669 HG12 ILE 90 1HG1 ILE 90 -4.505 8.654 3.341 670 HG13 ILE 90 2HG1 ILE 90 -4.557 8.893 1.603 671 HG21 ILE 90 1HG2 ILE 90 -5.939 10.665 0.607 672 HG22 ILE 90 2HG2 ILE 90 -5.736 11.962 1.811 673 HG23 ILE 90 3HG2 ILE 90 -7.345 11.281 1.494 674 HD11 ILE 90 1HD1 ILE 90 -3.697 11.110 3.443 675 HD12 ILE 90 2HD1 ILE 90 -3.414 10.907 1.697 676 HD13 ILE 90 3HD1 ILE 90 -2.586 9.843 2.853 677 H ILE 91 H ILE 91 -6.969 13.044 4.116 678 HA ILE 91 HA ILE 91 -9.878 12.435 3.764 679 HB ILE 91 HB ILE 91 -10.413 14.433 5.209 680 HG12 ILE 91 1HG1 ILE 91 -7.971 14.239 6.818 681 HG13 ILE 91 2HG1 ILE 91 -7.631 14.808 5.208 682 HG21 ILE 91 1HG2 ILE 91 -10.329 13.234 7.315 683 HG22 ILE 91 2HG2 ILE 91 -9.029 12.169 6.715 684 HG23 ILE 91 3HG2 ILE 91 -10.658 12.070 6.010 685 HD11 ILE 91 1HD1 ILE 91 -8.103 16.668 6.719 686 HD12 ILE 91 2HD1 ILE 91 -9.731 16.019 7.022 687 HD13 ILE 91 3HD1 ILE 91 -9.266 16.583 5.389 688 H TRP 92 H TRP 92 -10.518 13.247 1.884 689 HA TRP 92 HA TRP 92 -8.942 15.335 0.587 690 HB2 TRP 92 1HB TRP 92 -11.445 13.837 -0.233 691 HB3 TRP 92 2HB TRP 92 -10.575 14.986 -1.254 692 HD1 TRP 92 HD1 TRP 92 -10.381 11.449 0.063 693 HE1 TRP 92 HE1 TRP 92 -8.475 10.176 -1.013 694 HE3 TRP 92 HE3 TRP 92 -8.162 15.415 -2.295 695 HZ2 TRP 92 HZ2 TRP 92 -6.260 10.797 -2.662 696 HZ3 TRP 92 HZ3 TRP 92 -6.110 14.986 -3.660 697 HH2 TRP 92 HH2 TRP 92 -5.170 12.674 -3.849 698 H VAL 93 H VAL 93 -9.396 17.415 0.286 699 HA VAL 93 HA VAL 93 -12.079 18.451 1.041 700 HB VAL 93 HB VAL 93 -10.703 20.378 2.211 701 HG11 VAL 93 1HG1 VAL 93 -10.910 19.261 4.379 702 HG12 VAL 93 2HG1 VAL 93 -11.111 17.693 3.566 703 HG13 VAL 93 3HG1 VAL 93 -12.336 18.970 3.364 704 HG21 VAL 93 1HG2 VAL 93 -8.637 19.749 3.254 705 HG22 VAL 93 2HG2 VAL 93 -8.467 19.285 1.551 706 HG23 VAL 93 3HG2 VAL 93 -8.816 18.046 2.781 707 H ALA 94 H ALA 94 -12.507 20.537 0.121 708 HA ALA 94 HA ALA 94 -10.590 21.716 -1.751 709 HB1 ALA 94 1HB ALA 94 -11.609 19.802 -3.056 710 HB2 ALA 94 2HB ALA 94 -12.001 21.402 -3.727 711 HB3 ALA 94 3HB ALA 94 -13.212 20.516 -2.767 712 H THR 95 H THR 95 -11.691 23.705 -2.706 713 HA THR 95 HA THR 95 -14.064 24.594 -1.147 714 HB THR 95 HB THR 95 -11.916 25.576 -0.143 715 HG1 THR 95 HG1 THR 95 -12.824 27.799 -0.388 716 HG21 THR 95 1HG2 THR 95 -11.865 27.216 -2.704 717 HG22 THR 95 2HG2 THR 95 -10.763 25.858 -2.389 718 HG23 THR 95 3HG2 THR 95 -10.731 27.285 -1.336 719 H GLU 96 H GLU 96 -14.849 26.738 -2.356 720 HA GLU 96 HA GLU 96 -15.418 25.939 -5.042 721 HB2 GLU 96 1HB GLU 96 -16.879 27.315 -3.541 722 HB3 GLU 96 2HB GLU 96 -15.761 28.671 -3.763 723 HG2 GLU 96 1HG GLU 96 -16.228 28.692 -6.171 724 HG3 GLU 96 2HG GLU 96 -17.260 27.263 -6.003 725 H GLY 97 H GLY 97 -14.580 26.531 -6.950 726 HA2 GLY 97 1HA GLY 97 -13.420 27.933 -8.456 727 HA3 GLY 97 2HA GLY 97 -12.606 28.723 -7.099 728 H ALA 98 H ALA 98 -12.218 25.758 -6.115 729 HA ALA 98 HA ALA 98 -9.537 25.571 -7.155 730 HB1 ALA 98 1HB ALA 98 -10.255 24.994 -4.844 731 HB2 ALA 98 2HB ALA 98 -9.306 23.742 -5.668 732 HB3 ALA 98 3HB ALA 98 -11.074 23.560 -5.516 733 H LEU 99 H LEU 99 -8.683 24.226 -8.705 734 HA LEU 99 HA LEU 99 -10.662 22.806 -10.402 735 HB2 LEU 99 1HB LEU 99 -7.771 23.560 -10.770 736 HB3 LEU 99 2HB LEU 99 -8.592 22.459 -11.852 737 HG LEU 99 HG LEU 99 -9.291 25.378 -11.448 738 HD11 LEU 99 1HD1 LEU 99 -8.433 25.503 -13.781 739 HD12 LEU 99 2HD1 LEU 99 -8.011 23.771 -13.699 740 HD13 LEU 99 3HD1 LEU 99 -7.193 24.948 -12.637 741 HD21 LEU 99 1HD2 LEU 99 -10.791 25.012 -13.420 742 HD22 LEU 99 2HD2 LEU 99 -11.337 24.155 -11.970 743 HD23 LEU 99 3HD2 LEU 99 -10.513 23.260 -13.274 744 H ASN 100 H ASN 100 -10.789 20.756 -10.714 745 HA ASN 100 HA ASN 100 -9.368 18.946 -8.902 746 HB2 ASN 100 1HB ASN 100 -11.813 18.741 -9.379 747 HB3 ASN 100 2HB ASN 100 -11.428 18.346 -11.060 748 HD21 ASN 100 1HD2 ASN 100 -11.379 14.981 -10.240 749 HD22 ASN 100 2HD2 ASN 100 -11.920 16.263 -11.294 750 H THR 101 H THR 101 -7.260 19.526 -9.933 751 HA THR 101 HA THR 101 -6.638 17.494 -12.009 752 HB THR 101 HB THR 101 -6.998 19.966 -12.966 753 HG1 THR 101 HG1 THR 101 -5.334 19.541 -14.469 754 HG21 THR 101 1HG2 THR 101 -5.008 21.343 -12.942 755 HG22 THR 101 2HG2 THR 101 -4.132 20.133 -11.969 756 HG23 THR 101 3HG2 THR 101 -5.508 21.035 -11.267 757 HA PRO 102 HA PRO 102 -3.326 16.999 -9.093 758 HB2 PRO 102 1HB PRO 102 -1.220 16.265 -10.674 759 HB3 PRO 102 2HB PRO 102 -2.568 15.145 -10.281 760 HG2 PRO 102 1HG PRO 102 -2.122 16.841 -12.730 761 HG3 PRO 102 2HG PRO 102 -2.591 15.116 -12.624 762 HD2 PRO 102 1HD PRO 102 -4.404 17.039 -13.057 763 HD3 PRO 102 2HD PRO 102 -4.776 15.624 -12.019 764 H LYS 103 H LYS 103 -1.595 18.158 -8.181 765 HA LYS 103 HA LYS 103 -0.116 20.049 -9.888 766 HB2 LYS 103 1HB LYS 103 -0.632 21.972 -8.377 767 HB3 LYS 103 2HB LYS 103 -1.936 21.430 -9.413 768 HG2 LYS 103 1HG LYS 103 -2.721 20.066 -7.274 769 HG3 LYS 103 2HG LYS 103 -1.698 21.236 -6.422 770 HD2 LYS 103 1HD LYS 103 -3.836 22.228 -6.429 771 HD3 LYS 103 2HD LYS 103 -2.976 23.039 -7.755 772 HE2 LYS 103 1HE LYS 103 -4.017 21.311 -9.321 773 HE3 LYS 103 2HE LYS 103 -5.009 20.788 -7.957 774 HZ1 LYS 103 1HZ LYS 103 -6.248 22.302 -9.253 775 HZ2 LYS 103 2HZ LYS 103 -5.051 23.444 -9.271 776 HZ3 LYS 103 3HZ LYS 103 -5.861 23.107 -7.873 777 H ASP 104 H ASP 104 1.039 17.967 -9.045 778 HA ASP 104 HA ASP 104 2.085 17.811 -6.437 779 HB2 ASP 104 1HB ASP 104 3.772 16.382 -7.385 780 HB3 ASP 104 2HB ASP 104 2.265 16.079 -8.261 781 H HIS 105 H HIS 105 3.062 19.763 -9.182 782 HA HIS 105 HA HIS 105 5.666 20.471 -8.340 783 HB2 HIS 105 1HB HIS 105 5.596 22.107 -10.042 784 HB3 HIS 105 2HB HIS 105 4.594 20.768 -10.617 785 HD1 HIS 105 HD1 HIS 105 4.442 24.379 -9.488 786 HD2 HIS 105 HD2 HIS 105 1.806 21.393 -10.798 787 HE1 HIS 105 HE1 HIS 105 2.226 25.526 -10.034 788 H ILE 106 H ILE 106 2.775 21.388 -6.795 789 HA ILE 106 HA ILE 106 3.928 23.975 -5.890 790 HB ILE 106 HB ILE 106 1.284 22.681 -5.087 791 HG12 ILE 106 1HG1 ILE 106 1.878 24.741 -7.254 792 HG13 ILE 106 2HG1 ILE 106 1.406 23.067 -7.530 793 HG21 ILE 106 1HG2 ILE 106 2.295 25.579 -4.848 794 HG22 ILE 106 2HG2 ILE 106 2.175 24.423 -3.505 795 HG23 ILE 106 3HG2 ILE 106 0.705 24.978 -4.314 796 HD11 ILE 106 1HD1 ILE 106 -0.520 24.344 -7.877 797 HD12 ILE 106 2HD1 ILE 106 -0.274 25.281 -6.387 798 HD13 ILE 106 3HD1 ILE 106 -0.732 23.559 -6.295 799 H GLY 107 H GLY 107 3.093 20.701 -4.790 800 HA2 GLY 107 1HA GLY 107 3.730 21.187 -2.026 801 HA3 GLY 107 2HA GLY 107 3.471 19.622 -2.796 802 H THR 108 H THR 108 5.933 21.552 -4.252 803 HA THR 108 HA THR 108 7.947 19.683 -3.145 804 HB THR 108 HB THR 108 7.598 19.772 -5.614 805 HG1 THR 108 HG1 THR 108 10.143 20.749 -4.796 806 HG21 THR 108 1HG2 THR 108 7.209 22.331 -5.617 807 HG22 THR 108 2HG2 THR 108 8.196 21.647 -6.924 808 HG23 THR 108 3HG2 THR 108 8.976 22.474 -5.560 809 H ARG 109 H ARG 109 7.031 22.126 -1.643 810 HA ARG 109 HA ARG 109 8.945 24.205 -1.684 811 HB2 ARG 109 1HB ARG 109 6.944 24.184 -0.183 812 HB3 ARG 109 2HB ARG 109 7.681 22.880 0.750 813 HG2 ARG 109 1HG ARG 109 9.597 24.440 1.308 814 HG3 ARG 109 2HG ARG 109 8.706 25.742 0.512 815 HD2 ARG 109 1HD ARG 109 8.397 25.802 2.955 816 HD3 ARG 109 2HD ARG 109 6.872 25.480 2.124 817 HE ARG 109 HE ARG 109 6.805 23.329 3.009 818 HH11 ARG 109 1HH1 ARG 109 9.906 24.815 3.941 819 HH12 ARG 109 2HH1 ARG 109 10.210 23.567 5.112 820 HH21 ARG 109 1HH2 ARG 109 7.276 21.846 4.498 821 HH22 ARG 109 2HH2 ARG 109 8.766 21.907 5.418 822 H ASN 110 H ASN 110 11.088 24.376 -1.111 823 HA ASN 110 HA ASN 110 12.443 21.843 -0.374 824 HB2 ASN 110 1HB ASN 110 13.405 24.569 -1.293 825 HB3 ASN 110 2HB ASN 110 14.510 23.376 -0.595 826 HD21 ASN 110 1HD2 ASN 110 15.031 21.943 -3.691 827 HD22 ASN 110 2HD2 ASN 110 15.673 22.523 -2.173 828 HA PRO 111 HA PRO 111 12.051 23.513 3.731 829 HB2 PRO 111 1HB PRO 111 13.197 21.528 5.198 830 HB3 PRO 111 2HB PRO 111 11.587 21.342 4.429 831 HG2 PRO 111 1HG PRO 111 14.275 20.448 3.406 832 HG3 PRO 111 2HG PRO 111 12.764 19.497 3.582 833 HD2 PRO 111 1HD PRO 111 13.469 20.595 1.222 834 HD3 PRO 111 2HD PRO 111 11.752 20.549 1.748 835 H ALA 112 H ALA 112 15.058 22.766 2.161 836 HA ALA 112 HA ALA 112 16.729 23.848 4.303 837 HB1 ALA 112 1HB ALA 112 17.564 22.094 2.746 838 HB2 ALA 112 2HB ALA 112 18.543 23.578 2.659 839 HB3 ALA 112 3HB ALA 112 17.361 23.224 1.380 840 H ASN 113 H ASN 113 14.941 25.023 1.566 841 HA ASN 113 HA ASN 113 16.504 27.546 1.493 842 HB2 ASN 113 1HB ASN 113 14.377 26.437 -0.375 843 HB3 ASN 113 2HB ASN 113 15.230 27.965 -0.600 844 HD21 ASN 113 1HD2 ASN 113 16.833 25.207 -2.574 845 HD22 ASN 113 2HD2 ASN 113 15.180 25.749 -2.400 846 H ASN 114 H ASN 114 13.347 26.285 2.436 847 HA ASN 114 HA ASN 114 12.648 29.000 3.370 848 HB2 ASN 114 1HB ASN 114 11.656 29.006 1.203 849 HB3 ASN 114 2HB ASN 114 10.957 27.387 1.436 850 HD21 ASN 114 1HD2 ASN 114 8.120 28.578 3.002 851 HD22 ASN 114 2HD2 ASN 114 8.946 27.341 2.082 852 H ALA 115 H ALA 115 11.286 29.115 5.047 853 HA ALA 115 HA ALA 115 10.925 26.641 6.591 854 HB1 ALA 115 1HB ALA 115 11.741 28.708 7.683 855 HB2 ALA 115 2HB ALA 115 10.189 28.183 8.381 856 HB3 ALA 115 3HB ALA 115 10.231 29.543 7.234 857 H ALA 116 H ALA 116 8.960 25.801 7.272 858 HA ALA 116 HA ALA 116 6.743 26.043 5.480 859 HB1 ALA 116 1HB ALA 116 7.287 23.963 6.751 860 HB2 ALA 116 2HB ALA 116 5.611 24.500 6.993 861 HB3 ALA 116 3HB ALA 116 6.828 24.793 8.258 862 H ILE 117 H ILE 117 4.779 26.973 5.719 863 HA ILE 117 HA ILE 117 4.662 29.369 7.407 864 HB ILE 117 HB ILE 117 2.658 28.155 5.461 865 HG12 ILE 117 1HG1 ILE 117 4.372 30.541 4.822 866 HG13 ILE 117 2HG1 ILE 117 5.049 28.927 4.644 867 HG21 ILE 117 1HG2 ILE 117 1.705 30.461 5.351 868 HG22 ILE 117 2HG2 ILE 117 2.852 30.981 6.605 869 HG23 ILE 117 3HG2 ILE 117 1.587 29.786 6.980 870 HD11 ILE 117 1HD1 ILE 117 4.127 29.735 2.537 871 HD12 ILE 117 2HD1 ILE 117 2.528 29.890 3.293 872 HD13 ILE 117 3HD1 ILE 117 3.271 28.286 3.115 873 H VAL 118 H VAL 118 3.303 29.561 9.276 874 HA VAL 118 HA VAL 118 2.321 27.216 10.613 875 HB VAL 118 HB VAL 118 1.435 30.149 10.816 876 HG11 VAL 118 1HG1 VAL 118 0.430 29.592 12.932 877 HG12 VAL 118 2HG1 VAL 118 0.945 27.897 12.810 878 HG13 VAL 118 3HG1 VAL 118 -0.284 28.554 11.701 879 HG21 VAL 118 1HG2 VAL 118 2.863 30.150 12.872 880 HG22 VAL 118 2HG2 VAL 118 3.799 29.859 11.394 881 HG23 VAL 118 3HG2 VAL 118 3.400 28.503 12.473 882 H LEU 119 H LEU 119 0.533 26.004 10.147 883 HA LEU 119 HA LEU 119 -1.063 26.613 7.838 884 HB2 LEU 119 1HB LEU 119 -0.499 24.348 8.792 885 HB3 LEU 119 2HB LEU 119 -1.682 24.632 10.059 886 HG LEU 119 HG LEU 119 -2.538 24.842 7.170 887 HD11 LEU 119 1HD1 LEU 119 -2.940 22.431 7.091 888 HD12 LEU 119 2HD1 LEU 119 -2.176 22.231 8.687 889 HD13 LEU 119 3HD1 LEU 119 -1.212 22.774 7.300 890 HD21 LEU 119 1HD2 LEU 119 -4.622 23.763 8.182 891 HD22 LEU 119 2HD2 LEU 119 -4.248 25.387 8.779 892 HD23 LEU 119 3HD2 LEU 119 -3.861 23.972 9.771 893 H GLN 120 H GLN 120 -2.892 27.737 7.630 894 HA GLN 120 HA GLN 120 -4.401 28.572 10.078 895 HB2 GLN 120 1HB GLN 120 -3.555 30.244 7.694 896 HB3 GLN 120 2HB GLN 120 -4.735 30.765 8.903 897 HG2 GLN 120 1HG GLN 120 -3.135 31.014 10.562 898 HG3 GLN 120 2HG GLN 120 -1.996 29.925 9.773 899 HE21 GLN 120 1HE2 GLN 120 -0.525 32.361 7.742 900 HE22 GLN 120 2HE2 GLN 120 -0.712 30.651 8.073 901 H LEU 121 H LEU 121 -6.646 29.040 9.602 902 HA LEU 121 HA LEU 121 -7.580 27.675 7.108 903 HB2 LEU 121 1HB LEU 121 -8.671 27.811 9.915 904 HB3 LEU 121 2HB LEU 121 -9.777 27.636 8.567 905 HG LEU 121 HG LEU 121 -7.574 25.669 9.267 906 HD11 LEU 121 1HD1 LEU 121 -9.592 24.256 9.853 907 HD12 LEU 121 2HD1 LEU 121 -10.576 25.721 9.694 908 HD13 LEU 121 3HD1 LEU 121 -9.307 25.646 10.922 909 HD21 LEU 121 1HD2 LEU 121 -7.998 25.535 6.889 910 HD22 LEU 121 2HD2 LEU 121 -9.748 25.621 7.132 911 HD23 LEU 121 3HD2 LEU 121 -8.843 24.183 7.653 912 HA PRO 122 HA PRO 122 -9.153 31.604 6.031 913 HB2 PRO 122 1HB PRO 122 -11.180 30.998 4.319 914 HB3 PRO 122 2HB PRO 122 -9.450 30.685 3.914 915 HG2 PRO 122 1HG PRO 122 -11.504 28.803 5.037 916 HG3 PRO 122 2HG PRO 122 -10.443 28.582 3.614 917 HD2 PRO 122 1HD PRO 122 -9.810 27.555 6.007 918 HD3 PRO 122 2HD PRO 122 -8.550 28.242 4.925 919 H GLN 123 H GLN 123 -11.090 32.998 6.047 920 HA GLN 123 HA GLN 123 -12.407 32.936 8.526 921 HB2 GLN 123 1HB GLN 123 -12.109 34.932 7.066 922 HB3 GLN 123 2HB GLN 123 -13.292 34.266 5.933 923 HG2 GLN 123 1HG GLN 123 -15.045 34.416 7.640 924 HG3 GLN 123 2HG GLN 123 -13.869 35.035 8.813 925 HE21 GLN 123 1HE2 GLN 123 -15.636 37.512 6.168 926 HE22 GLN 123 2HE2 GLN 123 -16.040 35.815 6.293 927 H GLY 124 H GLY 124 -14.134 31.911 9.303 928 HA2 GLY 124 1HA GLY 124 -16.309 31.004 9.201 929 HA3 GLY 124 2HA GLY 124 -16.176 30.856 7.446 930 H THR 125 H THR 125 -13.308 29.593 8.203 931 HA THR 125 HA THR 125 -14.496 26.877 8.538 932 HB THR 125 HB THR 125 -11.729 27.593 7.510 933 HG1 THR 125 HG1 THR 125 -13.489 28.374 6.194 934 HG21 THR 125 1HG2 THR 125 -13.406 25.059 7.313 935 HG22 THR 125 2HG2 THR 125 -11.970 25.258 8.309 936 HG23 THR 125 3HG2 THR 125 -11.838 25.322 6.546 937 H THR 126 H THR 126 -14.186 25.761 10.326 938 HA THR 126 HA THR 126 -12.120 26.705 12.257 939 HB THR 126 HB THR 126 -13.771 25.778 13.996 940 HG1 THR 126 HG1 THR 126 -15.908 25.642 13.281 941 HG21 THR 126 1HG2 THR 126 -15.062 27.841 14.053 942 HG22 THR 126 2HG2 THR 126 -14.666 28.174 12.351 943 HG23 THR 126 3HG2 THR 126 -13.383 28.197 13.588 944 H LEU 127 H LEU 127 -11.081 25.212 13.509 945 HA LEU 127 HA LEU 127 -10.702 22.595 12.313 946 HB2 LEU 127 1HB LEU 127 -9.769 23.735 14.954 947 HB3 LEU 127 2HB LEU 127 -9.202 22.234 14.274 948 HG LEU 127 HG LEU 127 -8.776 24.920 12.941 949 HD11 LEU 127 1HD1 LEU 127 -6.495 24.847 13.775 950 HD12 LEU 127 2HD1 LEU 127 -6.829 23.323 14.632 951 HD13 LEU 127 3HD1 LEU 127 -7.636 24.822 15.138 952 HD21 LEU 127 1HD2 LEU 127 -7.107 23.698 11.634 953 HD22 LEU 127 2HD2 LEU 127 -8.692 22.934 11.465 954 HD23 LEU 127 3HD2 LEU 127 -7.472 22.201 12.527 955 HA PRO 128 HA PRO 128 -13.678 20.504 14.863 956 HB2 PRO 128 1HB PRO 128 -12.761 17.944 14.866 957 HB3 PRO 128 2HB PRO 128 -13.388 18.723 13.380 958 HG2 PRO 128 1HG PRO 128 -10.586 18.325 14.276 959 HG3 PRO 128 2HG PRO 128 -11.312 18.056 12.671 960 HD2 PRO 128 1HD PRO 128 -9.876 20.304 13.376 961 HD3 PRO 128 2HD PRO 128 -11.145 20.315 12.119 962 H LYS 129 H LYS 129 -13.725 18.982 16.916 963 HA LYS 129 HA LYS 129 -12.415 20.467 18.921 964 HB2 LYS 129 1HB LYS 129 -14.514 18.746 18.861 965 HB3 LYS 129 2HB LYS 129 -13.310 17.721 19.634 966 HG2 LYS 129 1HG LYS 129 -14.169 20.488 20.608 967 HG3 LYS 129 2HG LYS 129 -14.771 18.959 21.258 968 HD2 LYS 129 1HD LYS 129 -12.511 18.378 22.070 969 HD3 LYS 129 2HD LYS 129 -11.865 19.857 21.346 970 HE2 LYS 129 1HE LYS 129 -13.477 21.175 22.785 971 HE3 LYS 129 2HE LYS 129 -13.791 19.664 23.668 972 HZ1 LYS 129 1HZ LYS 129 -12.044 20.928 24.749 973 HZ2 LYS 129 2HZ LYS 129 -11.159 21.037 23.361 974 HZ3 LYS 129 3HZ LYS 129 -11.358 19.572 24.106 975 H GLY 130 H GLY 130 -10.436 20.458 19.701 976 HA2 GLY 130 1HA GLY 130 -8.661 19.394 20.826 977 HA3 GLY 130 2HA GLY 130 -9.054 17.874 20.023 978 H PHE 131 H PHE 131 -9.036 20.211 17.642 979 HA PHE 131 HA PHE 131 -6.288 19.448 16.907 980 HB2 PHE 131 1HB PHE 131 -8.799 19.928 15.480 981 HB3 PHE 131 2HB PHE 131 -7.428 20.792 14.782 982 HD1 PHE 131 HD1 PHE 131 -8.972 17.530 15.302 983 HD2 PHE 131 HD2 PHE 131 -5.420 19.567 14.049 984 HE1 PHE 131 HE1 PHE 131 -8.205 15.469 14.155 985 HE2 PHE 131 HE2 PHE 131 -4.626 17.497 12.901 986 HZ PHE 131 HZ PHE 131 -6.033 15.452 12.955 987 H TYR 132 H TYR 132 -4.751 20.834 16.702 988 HA TYR 132 HA TYR 132 -5.325 23.735 16.591 989 HB2 TYR 132 1HB TYR 132 -3.573 24.196 18.270 990 HB3 TYR 132 2HB TYR 132 -4.963 23.349 18.946 991 HD1 TYR 132 HD1 TYR 132 -1.351 23.204 18.306 992 HD2 TYR 132 HD2 TYR 132 -4.772 20.906 19.574 993 HE1 TYR 132 HE1 TYR 132 0.156 21.508 19.345 994 HE2 TYR 132 HE2 TYR 132 -3.258 19.227 20.601 995 HH TYR 132 HH TYR 132 -1.123 18.670 21.107 996 H ALA 133 H ALA 133 -3.405 24.956 15.887 997 HA ALA 133 HA ALA 133 -1.970 23.366 13.850 998 HB1 ALA 133 1HB ALA 133 -3.260 25.350 13.105 999 HB2 ALA 133 2HB ALA 133 -1.520 25.546 12.792 1000 HB3 ALA 133 3HB ALA 133 -2.273 26.383 14.168 1001 H GLU 134 H GLU 134 0.193 23.182 13.700 1002 HA GLU 134 HA GLU 134 1.780 23.684 16.072 1003 HB2 GLU 134 1HB GLU 134 2.211 21.805 14.558 1004 HB3 GLU 134 2HB GLU 134 2.483 22.915 13.225 1005 HG2 GLU 134 1HG GLU 134 4.602 22.204 13.883 1006 HG3 GLU 134 2HG GLU 134 4.435 23.845 14.521 1007 H GLY 135 H GLY 135 3.111 25.376 16.537 1008 HA2 GLY 135 1HA GLY 135 4.466 27.235 16.024 1009 HA3 GLY 135 2HA GLY 135 3.736 27.344 14.423 1010 H SER 136 H SER 136 1.058 27.064 16.252 1011 HA SER 136 HA SER 136 1.059 29.845 17.289 1012 HB2 SER 136 1HB SER 136 0.313 29.858 14.872 1013 HB3 SER 136 2HB SER 136 -1.097 28.906 15.373 1014 HG SER 136 HG SER 136 -1.496 31.180 15.340 1015 H ARG 137 H ARG 137 -1.441 30.210 18.028 1016 HA ARG 137 HA ARG 137 -1.953 27.966 19.929 1017 HB2 ARG 137 1HB ARG 137 -2.606 30.929 19.900 1018 HB3 ARG 137 2HB ARG 137 -3.564 29.807 20.869 1019 HG2 ARG 137 1HG ARG 137 -1.952 30.709 22.344 1020 HG3 ARG 137 2HG ARG 137 -1.417 29.059 21.988 1021 HD2 ARG 137 1HD ARG 137 0.222 29.911 20.376 1022 HD3 ARG 137 2HD ARG 137 -0.354 31.570 20.636 1023 HE ARG 137 HE ARG 137 0.370 30.540 23.152 1024 HH11 ARG 137 1HH1 ARG 137 2.021 31.303 20.125 1025 HH12 ARG 137 2HH1 ARG 137 3.528 31.654 20.926 1026 HH21 ARG 137 1HH2 ARG 137 2.327 31.002 24.105 1027 HH22 ARG 137 2HH2 ARG 137 3.698 31.471 23.139 1028 H GLY 138 H GLY 138 -3.478 26.609 19.333 1029 HA2 GLY 138 1HA GLY 138 -5.473 27.386 17.310 1030 HA3 GLY 138 2HA GLY 138 -5.256 25.778 18.033 1031 H GLY 139 H GLY 139 -7.741 26.189 18.044 1032 HA2 GLY 139 1HA GLY 139 -8.447 27.446 20.668 1033 HA3 GLY 139 2HA GLY 139 -9.524 27.411 19.254 1034 H SER 140 H SER 140 -11.005 26.358 20.771 1035 HA SER 140 HA SER 140 -12.169 24.543 21.472 1036 HB2 SER 140 1HB SER 140 -11.869 23.845 19.112 1037 HB3 SER 140 2HB SER 140 -10.379 22.989 19.572 1038 HG SER 140 HG SER 140 -11.708 21.900 21.144 Start of MODEL 34 1 H1 GLY 1 1H GLY 1 2.648 -2.740 -2.438 2 H2 GLY 1 2H GLY 1 3.331 -1.277 -2.779 3 H3 GLY 1 3H GLY 1 1.891 -1.347 -1.980 4 HA2 GLY 1 1HA GLY 1 2.922 -2.397 -0.089 5 HA3 GLY 1 2HA GLY 1 4.472 -2.309 -0.951 6 H ALA 2 H ALA 2 5.448 -0.953 0.669 7 HA ALA 2 HA ALA 2 4.226 1.675 1.164 8 HB1 ALA 2 1HB ALA 2 5.641 0.575 2.915 9 HB2 ALA 2 2HB ALA 2 6.353 2.116 2.379 10 HB3 ALA 2 3HB ALA 2 7.021 0.578 1.786 11 H MET 3 H MET 3 4.798 3.537 0.003 12 HA MET 3 HA MET 3 6.956 3.540 -1.955 13 HB2 MET 3 1HB MET 3 3.993 3.431 -2.646 14 HB3 MET 3 2HB MET 3 5.082 4.440 -3.587 15 HG2 MET 3 1HG MET 3 5.367 2.661 -4.881 16 HG3 MET 3 2HG MET 3 6.462 2.100 -3.615 17 HE1 MET 3 1HE MET 3 4.662 -1.183 -4.787 18 HE2 MET 3 2HE MET 3 6.226 -0.412 -4.426 19 HE3 MET 3 3HE MET 3 5.212 0.208 -5.750 20 H GLY 4 H GLY 4 6.868 5.860 -2.818 21 HA2 GLY 4 1HA GLY 4 6.214 8.144 -2.505 22 HA3 GLY 4 2HA GLY 4 5.518 7.731 -0.927 23 H LEU 5 H LEU 5 8.592 8.014 -2.731 24 HA LEU 5 HA LEU 5 10.319 7.728 -0.517 25 HB2 LEU 5 1HB LEU 5 10.636 9.374 -3.036 26 HB3 LEU 5 2HB LEU 5 11.942 9.056 -1.901 27 HG LEU 5 HG LEU 5 10.467 6.929 -3.493 28 HD11 LEU 5 1HD1 LEU 5 12.505 6.833 -4.850 29 HD12 LEU 5 2HD1 LEU 5 13.231 8.145 -3.891 30 HD13 LEU 5 3HD1 LEU 5 11.801 8.463 -4.904 31 HD21 LEU 5 1HD2 LEU 5 12.372 5.476 -2.794 32 HD22 LEU 5 2HD2 LEU 5 11.386 6.003 -1.421 33 HD23 LEU 5 3HD2 LEU 5 12.958 6.779 -1.735 34 HA PRO 6 HA PRO 6 9.424 11.428 1.642 35 HB2 PRO 6 1HB PRO 6 11.490 11.575 3.407 36 HB3 PRO 6 2HB PRO 6 10.247 10.285 3.512 37 HG2 PRO 6 1HG PRO 6 12.966 10.185 2.219 38 HG3 PRO 6 2HG PRO 6 12.251 9.064 3.424 39 HD2 PRO 6 1HD PRO 6 12.194 8.524 0.775 40 HD3 PRO 6 2HD PRO 6 10.810 8.102 1.845 41 H ASN 7 H ASN 7 10.062 13.584 1.948 42 HA ASN 7 HA ASN 7 10.923 15.579 1.347 43 HB2 ASN 7 1HB ASN 7 12.905 14.406 2.537 44 HB3 ASN 7 2HB ASN 7 13.611 14.288 0.920 45 HD21 ASN 7 1HD2 ASN 7 14.945 17.475 1.243 46 HD22 ASN 7 2HD2 ASN 7 15.120 15.814 0.730 47 H ASN 8 H ASN 8 10.021 13.696 -0.897 48 HA ASN 8 HA ASN 8 11.545 14.877 -3.175 49 HB2 ASN 8 1HB ASN 8 9.244 12.875 -2.936 50 HB3 ASN 8 2HB ASN 8 9.681 13.635 -4.475 51 HD21 ASN 8 1HD2 ASN 8 12.967 11.683 -3.217 52 HD22 ASN 8 2HD2 ASN 8 12.369 13.106 -2.401 53 H THR 9 H THR 9 8.853 15.274 -1.064 54 HA THR 9 HA THR 9 7.961 17.715 -2.343 55 HB THR 9 HB THR 9 5.568 16.980 -2.187 56 HG1 THR 9 HG1 THR 9 6.639 14.392 -1.669 57 HG21 THR 9 1HG2 THR 9 5.427 15.490 -4.065 58 HG22 THR 9 2HG2 THR 9 7.088 14.906 -3.800 59 HG23 THR 9 3HG2 THR 9 6.798 16.578 -4.349 60 H ALA 10 H ALA 10 6.720 18.764 -0.620 61 HA ALA 10 HA ALA 10 6.718 17.539 2.049 62 HB1 ALA 10 1HB ALA 10 9.007 18.602 1.807 63 HB2 ALA 10 2HB ALA 10 8.026 19.278 3.128 64 HB3 ALA 10 3HB ALA 10 8.191 20.170 1.601 65 H SER 11 H SER 11 5.354 18.620 3.516 66 HA SER 11 HA SER 11 3.041 19.858 2.409 67 HB2 SER 11 1HB SER 11 2.998 18.670 4.550 68 HB3 SER 11 2HB SER 11 4.148 19.825 5.249 69 HG SER 11 HG SER 11 2.541 21.070 5.715 70 H TRP 12 H TRP 12 2.502 21.966 2.075 71 HA TRP 12 HA TRP 12 4.538 23.990 2.098 72 HB2 TRP 12 1HB TRP 12 1.771 23.786 1.199 73 HB3 TRP 12 2HB TRP 12 2.140 25.355 1.933 74 HD1 TRP 12 HD1 TRP 12 2.668 23.437 -1.233 75 HE1 TRP 12 HE1 TRP 12 4.164 24.647 -2.865 76 HE3 TRP 12 HE3 TRP 12 4.371 27.042 1.957 77 HZ2 TRP 12 HZ2 TRP 12 5.950 26.861 -2.801 78 HZ3 TRP 12 HZ3 TRP 12 6.026 28.716 1.093 79 HH2 TRP 12 HH2 TRP 12 6.817 28.597 -1.274 80 H PHE 13 H PHE 13 2.260 22.852 4.406 81 HA PHE 13 HA PHE 13 2.652 25.313 6.047 82 HB2 PHE 13 1HB PHE 13 0.309 23.384 6.022 83 HB3 PHE 13 2HB PHE 13 0.422 24.895 6.930 84 HD1 PHE 13 HD1 PHE 13 0.306 27.063 5.759 85 HD2 PHE 13 HD2 PHE 13 -0.307 23.348 3.700 86 HE1 PHE 13 HE1 PHE 13 -0.682 28.290 3.854 87 HE2 PHE 13 HE2 PHE 13 -1.345 24.568 1.793 88 HZ PHE 13 HZ PHE 13 -1.529 27.044 1.866 89 H THR 14 H THR 14 2.422 25.005 8.342 90 HA THR 14 HA THR 14 4.012 22.810 9.316 91 HB THR 14 HB THR 14 3.425 23.707 11.557 92 HG1 THR 14 HG1 THR 14 1.958 25.325 11.767 93 HG21 THR 14 1HG2 THR 14 4.399 25.941 11.316 94 HG22 THR 14 2HG2 THR 14 4.119 25.894 9.565 95 HG23 THR 14 3HG2 THR 14 5.271 24.764 10.313 96 H ALA 15 H ALA 15 3.204 21.345 11.065 97 HA ALA 15 HA ALA 15 0.975 19.900 9.971 98 HB1 ALA 15 1HB ALA 15 1.516 18.259 11.653 99 HB2 ALA 15 2HB ALA 15 2.506 19.437 12.545 100 HB3 ALA 15 3HB ALA 15 3.021 18.872 10.942 101 H LEU 16 H LEU 16 -0.934 19.312 10.926 102 HA LEU 16 HA LEU 16 -1.981 21.079 13.097 103 HB2 LEU 16 1HB LEU 16 -3.171 19.009 11.222 104 HB3 LEU 16 2HB LEU 16 -3.986 19.451 12.703 105 HG LEU 16 HG LEU 16 -3.434 21.270 10.367 106 HD11 LEU 16 1HD1 LEU 16 -5.873 21.275 10.159 107 HD12 LEU 16 2HD1 LEU 16 -6.021 20.217 11.584 108 HD13 LEU 16 3HD1 LEU 16 -5.264 19.609 10.093 109 HD21 LEU 16 1HD2 LEU 16 -4.851 22.902 11.682 110 HD22 LEU 16 2HD2 LEU 16 -3.228 22.626 12.338 111 HD23 LEU 16 3HD2 LEU 16 -4.642 21.849 13.097 112 H THR 17 H THR 17 -2.560 20.079 15.123 113 HA THR 17 HA THR 17 -1.394 17.346 15.499 114 HB THR 17 HB THR 17 -1.232 19.684 17.433 115 HG1 THR 17 HG1 THR 17 0.099 20.141 15.723 116 HG21 THR 17 1HG2 THR 17 0.513 18.256 18.467 117 HG22 THR 17 2HG2 THR 17 0.056 16.946 17.352 118 HG23 THR 17 3HG2 THR 17 -1.119 17.559 18.548 119 H GLN 18 H GLN 18 -2.593 15.993 16.818 120 HA GLN 18 HA GLN 18 -5.260 17.079 17.646 121 HB2 GLN 18 1HB GLN 18 -5.464 15.649 15.737 122 HB3 GLN 18 2HB GLN 18 -4.410 14.445 16.423 123 HG2 GLN 18 1HG GLN 18 -6.680 13.603 16.446 124 HG3 GLN 18 2HG GLN 18 -6.153 13.853 18.108 125 HE21 GLN 18 1HE2 GLN 18 -9.644 15.263 17.179 126 HE22 GLN 18 2HE2 GLN 18 -8.833 13.837 16.538 127 H HIS 19 H HIS 19 -6.049 16.697 19.566 128 HA HIS 19 HA HIS 19 -5.039 14.369 21.136 129 HB2 HIS 19 1HB HIS 19 -3.976 16.387 22.125 130 HB3 HIS 19 2HB HIS 19 -5.560 17.168 22.229 131 HD1 HIS 19 HD1 HIS 19 -3.344 14.766 24.030 132 HD2 HIS 19 HD2 HIS 19 -7.312 16.023 24.167 133 HE1 HIS 19 HE1 HIS 19 -4.295 13.953 26.231 134 H GLY 20 H GLY 20 -6.892 13.159 20.698 135 HA2 GLY 20 1HA GLY 20 -9.370 13.828 21.894 136 HA3 GLY 20 2HA GLY 20 -9.417 14.340 20.195 137 H LYS 21 H LYS 21 -11.108 12.734 19.902 138 HA LYS 21 HA LYS 21 -10.042 9.932 19.811 139 HB2 LYS 21 1HB LYS 21 -12.824 11.012 20.304 140 HB3 LYS 21 2HB LYS 21 -12.527 9.337 19.814 141 HG2 LYS 21 1HG LYS 21 -11.046 9.029 21.777 142 HG3 LYS 21 2HG LYS 21 -11.439 10.675 22.315 143 HD2 LYS 21 1HD LYS 21 -13.787 10.078 22.571 144 HD3 LYS 21 2HD LYS 21 -13.500 8.485 21.843 145 HE2 LYS 21 1HE LYS 21 -13.642 8.250 24.264 146 HE3 LYS 21 2HE LYS 21 -11.995 7.887 23.715 147 HZ1 LYS 21 1HZ LYS 21 -11.983 9.277 25.685 148 HZ2 LYS 21 2HZ LYS 21 -12.868 10.447 24.931 149 HZ3 LYS 21 3HZ LYS 21 -11.336 10.109 24.417 150 H GLU 22 H GLU 22 -11.449 12.478 17.864 151 HA GLU 22 HA GLU 22 -12.063 10.605 15.683 152 HB2 GLU 22 1HB GLU 22 -12.531 12.714 14.407 153 HB3 GLU 22 2HB GLU 22 -13.538 12.450 15.822 154 HG2 GLU 22 1HG GLU 22 -12.127 14.049 17.115 155 HG3 GLU 22 2HG GLU 22 -11.192 14.361 15.636 156 H ASP 23 H ASP 23 -10.994 10.808 13.603 157 HA ASP 23 HA ASP 23 -8.107 10.872 13.992 158 HB2 ASP 23 1HB ASP 23 -9.743 9.410 12.400 159 HB3 ASP 23 2HB ASP 23 -9.340 10.673 11.240 160 H LEU 24 H LEU 24 -10.238 12.514 11.629 161 HA LEU 24 HA LEU 24 -9.707 15.200 12.266 162 HB2 LEU 24 1HB LEU 24 -7.403 14.878 11.386 163 HB3 LEU 24 2HB LEU 24 -8.045 14.154 9.925 164 HG LEU 24 HG LEU 24 -8.988 16.288 9.221 165 HD11 LEU 24 1HD1 LEU 24 -8.664 18.371 10.356 166 HD12 LEU 24 2HD1 LEU 24 -7.696 17.606 11.628 167 HD13 LEU 24 3HD1 LEU 24 -9.424 17.266 11.503 168 HD21 LEU 24 1HD2 LEU 24 -6.914 17.505 8.819 169 HD22 LEU 24 2HD2 LEU 24 -6.678 15.756 8.634 170 HD23 LEU 24 3HD2 LEU 24 -6.108 16.575 10.105 171 H LYS 25 H LYS 25 -11.220 16.408 10.977 172 HA LYS 25 HA LYS 25 -12.135 15.275 8.447 173 HB2 LYS 25 1HB LYS 25 -13.478 14.118 10.309 174 HB3 LYS 25 2HB LYS 25 -14.191 15.703 10.640 175 HG2 LYS 25 1HG LYS 25 -15.007 15.782 8.286 176 HG3 LYS 25 2HG LYS 25 -14.314 14.168 8.021 177 HD2 LYS 25 1HD LYS 25 -15.733 13.320 9.876 178 HD3 LYS 25 2HD LYS 25 -16.484 14.928 9.979 179 HE2 LYS 25 1HE LYS 25 -17.192 14.733 7.612 180 HE3 LYS 25 2HE LYS 25 -16.455 13.117 7.533 181 HZ1 LYS 25 1HZ LYS 25 -18.834 12.992 7.966 182 HZ2 LYS 25 2HZ LYS 25 -18.682 13.900 9.335 183 HZ3 LYS 25 3HZ LYS 25 -18.000 12.400 9.260 184 H PHE 26 H PHE 26 -13.073 16.855 7.152 185 HA PHE 26 HA PHE 26 -13.659 19.489 8.424 186 HB2 PHE 26 1HB PHE 26 -11.907 18.942 6.011 187 HB3 PHE 26 2HB PHE 26 -12.706 20.496 6.261 188 HD1 PHE 26 HD1 PHE 26 -12.445 21.107 9.062 189 HD2 PHE 26 HD2 PHE 26 -9.579 19.215 6.445 190 HE1 PHE 26 HE1 PHE 26 -10.603 21.889 10.511 191 HE2 PHE 26 HE2 PHE 26 -7.744 19.965 7.936 192 HZ PHE 26 HZ PHE 26 -8.243 21.311 9.961 193 HA PRO 27 HA PRO 27 -17.220 18.980 5.866 194 HB2 PRO 27 1HB PRO 27 -18.235 21.506 5.736 195 HB3 PRO 27 2HB PRO 27 -18.212 20.566 7.259 196 HG2 PRO 27 1HG PRO 27 -16.386 22.701 6.336 197 HG3 PRO 27 2HG PRO 27 -17.119 22.451 7.932 198 HD2 PRO 27 1HD PRO 27 -14.538 21.726 7.275 199 HD3 PRO 27 2HD PRO 27 -15.510 20.924 8.556 200 H ARG 28 H ARG 28 -18.197 19.544 3.773 201 HA ARG 28 HA ARG 28 -16.241 19.745 1.687 202 HB2 ARG 28 1HB ARG 28 -18.353 18.518 1.416 203 HB3 ARG 28 2HB ARG 28 -19.277 19.994 1.692 204 HG2 ARG 28 1HG ARG 28 -19.374 19.564 -0.643 205 HG3 ARG 28 2HG ARG 28 -18.289 20.941 -0.433 206 HD2 ARG 28 1HD ARG 28 -16.337 19.377 -0.606 207 HD3 ARG 28 2HD ARG 28 -17.466 18.052 -0.936 208 HE ARG 28 HE ARG 28 -16.696 20.255 -2.730 209 HH11 ARG 28 1HH1 ARG 28 -18.998 17.614 -2.227 210 HH12 ARG 28 2HH1 ARG 28 -19.463 17.590 -3.906 211 HH21 ARG 28 1HH2 ARG 28 -17.356 20.163 -4.843 212 HH22 ARG 28 2HH2 ARG 28 -18.549 19.001 -5.354 213 H GLY 29 H GLY 29 -15.526 21.439 0.470 214 HA2 GLY 29 1HA GLY 29 -15.635 23.561 -0.523 215 HA3 GLY 29 2HA GLY 29 -16.985 24.001 0.537 216 H GLN 30 H GLN 30 -14.891 22.559 2.534 217 HA GLN 30 HA GLN 30 -13.324 25.010 3.179 218 HB2 GLN 30 1HB GLN 30 -15.231 23.407 4.881 219 HB3 GLN 30 2HB GLN 30 -14.015 24.454 5.588 220 HG2 GLN 30 1HG GLN 30 -15.007 26.398 4.654 221 HG3 GLN 30 2HG GLN 30 -16.157 25.425 3.708 222 HE21 GLN 30 1HE2 GLN 30 -16.679 25.827 7.754 223 HE22 GLN 30 2HE2 GLN 30 -15.075 26.026 7.046 224 H GLY 31 H GLY 31 -11.953 24.353 5.229 225 HA2 GLY 31 1HA GLY 31 -10.781 22.648 6.410 226 HA3 GLY 31 2HA GLY 31 -11.106 21.514 5.087 227 H VAL 32 H VAL 32 -10.422 23.555 3.076 228 HA VAL 32 HA VAL 32 -7.613 23.009 2.829 229 HB VAL 32 HB VAL 32 -9.369 25.163 1.519 230 HG11 VAL 32 1HG1 VAL 32 -7.071 25.810 1.308 231 HG12 VAL 32 2HG1 VAL 32 -7.587 25.148 -0.234 232 HG13 VAL 32 3HG1 VAL 32 -6.588 24.162 0.833 233 HG21 VAL 32 1HG2 VAL 32 -9.434 23.630 -0.427 234 HG22 VAL 32 2HG2 VAL 32 -10.179 22.897 1.007 235 HG23 VAL 32 3HG2 VAL 32 -8.540 22.411 0.502 236 HA PRO 33 HA PRO 33 -6.521 26.199 5.718 237 HB2 PRO 33 1HB PRO 33 -3.813 26.006 5.521 238 HB3 PRO 33 2HB PRO 33 -4.808 24.740 6.311 239 HG2 PRO 33 1HG PRO 33 -3.769 24.856 3.537 240 HG3 PRO 33 2HG PRO 33 -3.650 23.524 4.718 241 HD2 PRO 33 1HD PRO 33 -5.495 23.459 2.834 242 HD3 PRO 33 2HD PRO 33 -5.831 22.887 4.494 243 H ILE 34 H ILE 34 -5.322 28.256 5.673 244 HA ILE 34 HA ILE 34 -6.001 29.716 3.306 245 HB ILE 34 HB ILE 34 -4.263 30.493 5.683 246 HG12 ILE 34 1HG1 ILE 34 -7.119 31.208 4.955 247 HG13 ILE 34 2HG1 ILE 34 -6.650 29.983 6.132 248 HG21 ILE 34 1HG2 ILE 34 -3.703 31.880 3.673 249 HG22 ILE 34 2HG2 ILE 34 -4.489 32.824 4.937 250 HG23 ILE 34 3HG2 ILE 34 -5.427 32.304 3.516 251 HD11 ILE 34 1HD1 ILE 34 -5.472 31.771 7.431 252 HD12 ILE 34 2HD1 ILE 34 -7.230 31.957 7.332 253 HD13 ILE 34 3HD1 ILE 34 -6.184 32.959 6.313 254 H ASN 35 H ASN 35 -5.041 29.701 1.473 255 HA ASN 35 HA ASN 35 -2.213 28.838 1.292 256 HB2 ASN 35 1HB ASN 35 -4.577 28.803 -0.465 257 HB3 ASN 35 2HB ASN 35 -3.040 29.120 -1.270 258 HD21 ASN 35 1HD2 ASN 35 -3.980 25.408 -0.120 259 HD22 ASN 35 2HD2 ASN 35 -5.092 26.754 0.012 260 H THR 36 H THR 36 -0.808 30.419 1.525 261 HA THR 36 HA THR 36 -1.309 33.090 0.359 262 HB THR 36 HB THR 36 0.888 33.579 1.399 263 HG1 THR 36 HG1 THR 36 2.000 31.958 2.429 264 HG21 THR 36 1HG2 THR 36 -1.234 33.608 2.780 265 HG22 THR 36 2HG2 THR 36 0.245 33.298 3.716 266 HG23 THR 36 3HG2 THR 36 -0.836 31.950 3.298 267 H ASN 37 H ASN 37 -0.021 30.130 -0.507 268 HA ASN 37 HA ASN 37 1.984 31.275 -2.368 269 HB2 ASN 37 1HB ASN 37 3.094 29.097 -2.244 270 HB3 ASN 37 2HB ASN 37 2.807 29.725 -0.615 271 HD21 ASN 37 1HD2 ASN 37 0.745 27.100 0.393 272 HD22 ASN 37 2HD2 ASN 37 1.512 28.624 0.779 273 H SER 38 H SER 38 -1.104 30.439 -2.842 274 HA SER 38 HA SER 38 -0.507 29.427 -5.533 275 HB2 SER 38 1HB SER 38 -1.767 27.380 -5.288 276 HB3 SER 38 2HB SER 38 -0.447 27.418 -4.121 277 HG SER 38 HG SER 38 -1.837 27.324 -2.578 278 H SER 39 H SER 39 -2.434 28.980 -6.863 279 HA SER 39 HA SER 39 -4.193 31.302 -6.785 280 HB2 SER 39 1HB SER 39 -4.074 28.875 -8.628 281 HB3 SER 39 2HB SER 39 -4.888 30.408 -8.982 282 HG SER 39 HG SER 39 -2.723 30.152 -9.867 283 HA PRO 40 HA PRO 40 -7.782 29.409 -5.143 284 HB2 PRO 40 1HB PRO 40 -9.881 29.945 -6.814 285 HB3 PRO 40 2HB PRO 40 -9.104 31.191 -5.782 286 HG2 PRO 40 1HG PRO 40 -8.564 30.567 -8.673 287 HG3 PRO 40 2HG PRO 40 -8.968 32.143 -7.915 288 HD2 PRO 40 1HD PRO 40 -6.422 31.493 -8.399 289 HD3 PRO 40 2HD PRO 40 -6.863 32.298 -6.855 290 H ASP 41 H ASP 41 -7.020 28.717 -8.510 291 HA ASP 41 HA ASP 41 -8.535 26.346 -8.923 292 HB2 ASP 41 1HB ASP 41 -5.709 26.953 -9.884 293 HB3 ASP 41 2HB ASP 41 -6.898 25.915 -10.678 294 H ASP 42 H ASP 42 -5.723 27.040 -7.021 295 HA ASP 42 HA ASP 42 -4.763 24.255 -7.043 296 HB2 ASP 42 1HB ASP 42 -3.649 26.826 -5.943 297 HB3 ASP 42 2HB ASP 42 -2.827 25.273 -5.870 298 H GLN 43 H GLN 43 -6.911 25.943 -5.152 299 HA GLN 43 HA GLN 43 -5.981 25.480 -2.509 300 HB2 GLN 43 1HB GLN 43 -8.803 25.591 -3.632 301 HB3 GLN 43 2HB GLN 43 -8.402 25.721 -1.927 302 HG2 GLN 43 1HG GLN 43 -7.617 27.624 -4.116 303 HG3 GLN 43 2HG GLN 43 -8.781 27.928 -2.831 304 HE21 GLN 43 1HE2 GLN 43 -4.981 28.906 -2.366 305 HE22 GLN 43 2HE2 GLN 43 -5.750 28.566 -3.892 306 H ILE 44 H ILE 44 -7.377 23.289 -4.790 307 HA ILE 44 HA ILE 44 -8.509 21.375 -3.065 308 HB ILE 44 HB ILE 44 -8.896 21.508 -5.468 309 HG12 ILE 44 1HG1 ILE 44 -7.742 18.808 -4.833 310 HG13 ILE 44 2HG1 ILE 44 -9.226 19.417 -4.107 311 HG21 ILE 44 1HG2 ILE 44 -6.757 22.122 -6.355 312 HG22 ILE 44 2HG2 ILE 44 -7.174 20.560 -7.063 313 HG23 ILE 44 3HG2 ILE 44 -6.000 20.628 -5.751 314 HD11 ILE 44 1HD1 ILE 44 -9.788 18.064 -5.992 315 HD12 ILE 44 2HD1 ILE 44 -8.674 18.958 -7.036 316 HD13 ILE 44 3HD1 ILE 44 -10.153 19.765 -6.385 317 H GLY 45 H GLY 45 -7.837 19.614 -1.966 318 HA2 GLY 45 1HA GLY 45 -5.329 18.343 -2.310 319 HA3 GLY 45 2HA GLY 45 -5.143 19.579 -1.063 320 H TYR 46 H TYR 46 -4.597 17.785 0.312 321 HA TYR 46 HA TYR 46 -6.988 16.848 1.724 322 HB2 TYR 46 1HB TYR 46 -6.426 14.499 1.594 323 HB3 TYR 46 2HB TYR 46 -6.564 15.110 -0.050 324 HD1 TYR 46 HD1 TYR 46 -4.326 13.868 2.566 325 HD2 TYR 46 HD2 TYR 46 -4.558 15.291 -1.484 326 HE1 TYR 46 HE1 TYR 46 -2.007 13.015 2.103 327 HE2 TYR 46 HE2 TYR 46 -2.258 14.428 -1.937 328 HH TYR 46 HH TYR 46 -0.296 12.849 0.582 329 H TYR 47 H TYR 47 -6.241 15.692 3.792 330 HA TYR 47 HA TYR 47 -3.505 16.667 4.553 331 HB2 TYR 47 1HB TYR 47 -5.901 16.077 6.289 332 HB3 TYR 47 2HB TYR 47 -4.286 16.330 6.903 333 HD1 TYR 47 HD1 TYR 47 -3.744 18.396 7.750 334 HD2 TYR 47 HD2 TYR 47 -6.751 18.201 4.667 335 HE1 TYR 47 HE1 TYR 47 -4.204 20.819 8.018 336 HE2 TYR 47 HE2 TYR 47 -7.189 20.615 4.957 337 HH TYR 47 HH TYR 47 -6.773 22.486 6.207 338 H ARG 48 H ARG 48 -2.073 15.202 5.317 339 HA ARG 48 HA ARG 48 -2.862 12.310 5.117 340 HB2 ARG 48 1HB ARG 48 -0.799 13.659 3.887 341 HB3 ARG 48 2HB ARG 48 0.010 13.178 5.373 342 HG2 ARG 48 1HG ARG 48 -1.253 11.329 3.319 343 HG3 ARG 48 2HG ARG 48 0.468 11.559 3.597 344 HD2 ARG 48 1HD ARG 48 0.335 10.513 5.763 345 HD3 ARG 48 2HD ARG 48 -1.430 10.499 5.704 346 HE ARG 48 HE ARG 48 -0.332 8.980 3.541 347 HH11 ARG 48 1HH1 ARG 48 -1.008 8.799 7.010 348 HH12 ARG 48 2HH1 ARG 48 -1.269 7.059 6.945 349 HH21 ARG 48 1HH2 ARG 48 -0.602 6.744 3.602 350 HH22 ARG 48 2HH2 ARG 48 -1.015 5.955 5.108 351 H ARG 49 H ARG 49 -2.866 11.166 7.080 352 HA ARG 49 HA ARG 49 -2.151 12.461 9.562 353 HB2 ARG 49 1HB ARG 49 -3.899 10.532 9.201 354 HB3 ARG 49 2HB ARG 49 -2.485 9.470 9.204 355 HG2 ARG 49 1HG ARG 49 -1.870 10.651 11.441 356 HG3 ARG 49 2HG ARG 49 -3.521 11.243 11.425 357 HD2 ARG 49 1HD ARG 49 -2.518 8.436 11.753 358 HD3 ARG 49 2HD ARG 49 -3.605 9.374 12.782 359 HE ARG 49 HE ARG 49 -5.432 8.902 11.361 360 HH11 ARG 49 1HH1 ARG 49 -2.492 7.230 10.266 361 HH12 ARG 49 2HH1 ARG 49 -3.408 6.088 9.297 362 HH21 ARG 49 1HH2 ARG 49 -6.483 7.417 10.136 363 HH22 ARG 49 2HH2 ARG 49 -5.589 6.172 9.254 364 H ALA 50 H ALA 50 -0.243 12.343 10.544 365 HA ALA 50 HA ALA 50 2.019 11.587 9.005 366 HB1 ALA 50 1HB ALA 50 1.784 13.427 10.589 367 HB2 ALA 50 2HB ALA 50 3.215 12.391 10.875 368 HB3 ALA 50 3HB ALA 50 1.771 12.230 11.909 369 H THR 51 H THR 51 3.773 10.335 9.921 370 HA THR 51 HA THR 51 2.897 7.635 10.179 371 HB THR 51 HB THR 51 5.335 7.168 10.172 372 HG1 THR 51 HG1 THR 51 6.715 9.024 10.054 373 HG21 THR 51 1HG2 THR 51 5.795 8.179 7.989 374 HG22 THR 51 2HG2 THR 51 4.567 9.440 8.267 375 HG23 THR 51 3HG2 THR 51 4.071 7.747 8.055 376 H ARG 52 H ARG 52 3.683 6.135 11.723 377 HA ARG 52 HA ARG 52 2.844 6.785 14.370 378 HB2 ARG 52 1HB ARG 52 3.001 4.513 12.960 379 HB3 ARG 52 2HB ARG 52 4.561 4.384 13.771 380 HG2 ARG 52 1HG ARG 52 3.098 3.142 15.120 381 HG3 ARG 52 2HG ARG 52 3.228 4.686 15.980 382 HD2 ARG 52 1HD ARG 52 1.094 5.432 14.990 383 HD3 ARG 52 2HD ARG 52 0.984 3.936 14.051 384 HE ARG 52 HE ARG 52 0.459 4.286 16.926 385 HH11 ARG 52 1HH1 ARG 52 0.875 1.942 14.306 386 HH12 ARG 52 2HH1 ARG 52 0.079 0.676 15.200 387 HH21 ARG 52 1HH2 ARG 52 -0.544 2.612 17.990 388 HH22 ARG 52 2HH2 ARG 52 -0.702 1.049 17.238 389 H ARG 53 H ARG 53 4.023 6.718 16.345 390 HA ARG 53 HA ARG 53 6.779 7.784 16.141 391 HB2 ARG 53 1HB ARG 53 5.018 8.775 17.654 392 HB3 ARG 53 2HB ARG 53 5.053 7.267 18.577 393 HG2 ARG 53 1HG ARG 53 7.715 7.969 18.469 394 HG3 ARG 53 2HG ARG 53 6.915 9.532 18.560 395 HD2 ARG 53 1HD ARG 53 6.385 7.200 20.387 396 HD3 ARG 53 2HD ARG 53 7.496 8.527 20.739 397 HE ARG 53 HE ARG 53 5.006 9.693 20.112 398 HH11 ARG 53 1HH1 ARG 53 6.377 7.718 22.702 399 HH12 ARG 53 2HH1 ARG 53 5.244 8.324 23.879 400 HH21 ARG 53 1HH2 ARG 53 3.595 10.412 21.655 401 HH22 ARG 53 2HH2 ARG 53 3.712 9.828 23.301 402 H ILE 54 H ILE 54 8.516 6.800 16.724 403 HA ILE 54 HA ILE 54 8.431 4.096 17.875 404 HB ILE 54 HB ILE 54 9.662 3.094 16.133 405 HG12 ILE 54 1HG1 ILE 54 11.396 4.680 15.722 406 HG13 ILE 54 2HG1 ILE 54 10.665 4.231 14.199 407 HG21 ILE 54 1HG2 ILE 54 8.389 3.305 14.092 408 HG22 ILE 54 2HG2 ILE 54 7.781 4.905 14.582 409 HG23 ILE 54 3HG2 ILE 54 7.306 3.445 15.491 410 HD11 ILE 54 1HD1 ILE 54 11.134 6.522 14.068 411 HD12 ILE 54 2HD1 ILE 54 10.454 6.831 15.675 412 HD13 ILE 54 3HD1 ILE 54 9.377 6.420 14.315 413 H ARG 55 H ARG 55 10.888 3.500 18.166 414 HA ARG 55 HA ARG 55 12.240 5.878 19.357 415 HB2 ARG 55 1HB ARG 55 12.170 3.993 20.856 416 HB3 ARG 55 2HB ARG 55 12.653 2.874 19.581 417 HG2 ARG 55 1HG ARG 55 14.527 3.195 21.085 418 HG3 ARG 55 2HG ARG 55 14.916 3.914 19.521 419 HD2 ARG 55 1HD ARG 55 14.269 6.159 20.448 420 HD3 ARG 55 2HD ARG 55 14.067 5.401 22.038 421 HE ARG 55 HE ARG 55 16.585 5.892 20.559 422 HH11 ARG 55 1HH1 ARG 55 15.114 4.408 23.420 423 HH12 ARG 55 2HH1 ARG 55 16.640 4.302 24.255 424 HH21 ARG 55 1HH2 ARG 55 18.485 5.707 21.695 425 HH22 ARG 55 2HH2 ARG 55 18.505 5.025 23.298 426 H GLY 56 H GLY 56 13.587 6.971 18.012 427 HA2 GLY 56 1HA GLY 56 14.587 5.653 15.608 428 HA3 GLY 56 2HA GLY 56 14.917 7.318 16.134 429 H GLY 57 H GLY 57 16.586 4.858 15.270 430 HA2 GLY 57 1HA GLY 57 18.256 4.209 17.541 431 HA3 GLY 57 2HA GLY 57 18.614 3.884 15.828 432 H ASP 58 H ASP 58 17.938 6.781 15.343 433 HA ASP 58 HA ASP 58 20.544 7.940 15.364 434 HB2 ASP 58 1HB ASP 58 18.605 8.395 13.807 435 HB3 ASP 58 2HB ASP 58 17.814 9.263 15.127 436 H GLY 59 H GLY 59 18.161 7.577 17.825 437 HA2 GLY 59 1HA GLY 59 19.018 7.748 20.060 438 HA3 GLY 59 2HA GLY 59 19.876 9.222 19.598 439 H LYS 60 H LYS 60 16.632 8.889 18.371 440 HA LYS 60 HA LYS 60 15.621 10.491 20.581 441 HB2 LYS 60 1HB LYS 60 15.181 12.450 19.349 442 HB3 LYS 60 2HB LYS 60 16.879 11.991 19.250 443 HG2 LYS 60 1HG LYS 60 15.124 11.138 17.005 444 HG3 LYS 60 2HG LYS 60 15.529 12.862 17.131 445 HD2 LYS 60 1HD LYS 60 17.601 10.689 17.300 446 HD3 LYS 60 2HD LYS 60 17.104 11.396 15.755 447 HE2 LYS 60 1HE LYS 60 17.815 13.642 16.596 448 HE3 LYS 60 2HE LYS 60 18.362 12.881 18.102 449 HZ1 LYS 60 1HZ LYS 60 20.191 13.225 16.536 450 HZ2 LYS 60 2HZ LYS 60 19.455 12.267 15.407 451 HZ3 LYS 60 3HZ LYS 60 19.981 11.613 16.828 452 H MET 61 H MET 61 13.390 11.342 20.270 453 HA MET 61 HA MET 61 11.707 9.120 19.333 454 HB2 MET 61 1HB MET 61 11.114 11.749 20.738 455 HB3 MET 61 2HB MET 61 9.867 10.586 20.278 456 HG2 MET 61 1HG MET 61 12.080 9.412 21.839 457 HG3 MET 61 2HG MET 61 11.155 10.654 22.696 458 HE1 MET 61 1HE MET 61 9.477 6.587 21.179 459 HE2 MET 61 2HE MET 61 11.133 7.187 20.937 460 HE3 MET 61 3HE MET 61 9.793 7.849 19.965 461 H LYS 62 H LYS 62 9.917 9.431 17.928 462 HA LYS 62 HA LYS 62 10.589 11.079 15.614 463 HB2 LYS 62 1HB LYS 62 9.474 8.691 15.872 464 HB3 LYS 62 2HB LYS 62 7.979 9.593 15.960 465 HG2 LYS 62 1HG LYS 62 9.965 9.901 13.725 466 HG3 LYS 62 2HG LYS 62 8.689 8.681 13.714 467 HD2 LYS 62 1HD LYS 62 8.081 11.642 13.975 468 HD3 LYS 62 2HD LYS 62 8.240 10.841 12.412 469 HE2 LYS 62 1HE LYS 62 6.446 9.287 12.972 470 HE3 LYS 62 2HE LYS 62 6.303 9.990 14.589 471 HZ1 LYS 62 1HZ LYS 62 4.645 10.823 12.996 472 HZ2 LYS 62 2HZ LYS 62 5.843 11.514 12.096 473 HZ3 LYS 62 3HZ LYS 62 5.557 12.047 13.636 474 H ASP 63 H ASP 63 7.799 10.814 17.766 475 HA ASP 63 HA ASP 63 7.094 13.663 17.361 476 HB2 ASP 63 1HB ASP 63 5.989 11.670 15.790 477 HB3 ASP 63 2HB ASP 63 4.814 11.799 17.095 478 H LEU 64 H LEU 64 4.900 14.045 18.597 479 HA LEU 64 HA LEU 64 5.017 12.514 21.182 480 HB2 LEU 64 1HB LEU 64 4.139 15.373 20.631 481 HB3 LEU 64 2HB LEU 64 3.942 14.545 22.177 482 HG LEU 64 HG LEU 64 6.607 15.144 20.840 483 HD11 LEU 64 1HD1 LEU 64 6.840 16.860 22.587 484 HD12 LEU 64 2HD1 LEU 64 5.211 16.480 23.194 485 HD13 LEU 64 3HD1 LEU 64 5.421 17.176 21.568 486 HD21 LEU 64 1HD2 LEU 64 7.549 14.576 23.089 487 HD22 LEU 64 2HD2 LEU 64 6.798 13.185 22.286 488 HD23 LEU 64 3HD2 LEU 64 5.937 14.027 23.600 489 H SER 65 H SER 65 2.520 14.712 19.936 490 HA SER 65 HA SER 65 0.456 12.634 20.258 491 HB2 SER 65 1HB SER 65 -0.665 14.975 19.210 492 HB3 SER 65 2HB SER 65 -0.569 14.547 20.935 493 HG SER 65 HG SER 65 0.394 16.637 20.255 494 HA PRO 66 HA PRO 66 0.358 11.891 15.915 495 HB2 PRO 66 1HB PRO 66 -2.282 11.705 15.207 496 HB3 PRO 66 2HB PRO 66 -1.459 10.448 16.188 497 HG2 PRO 66 1HG PRO 66 -3.165 12.750 17.118 498 HG3 PRO 66 2HG PRO 66 -3.286 11.016 17.551 499 HD2 PRO 66 1HD PRO 66 -2.020 12.791 19.145 500 HD3 PRO 66 2HD PRO 66 -1.396 11.119 18.936 501 H ARG 67 H ARG 67 0.467 13.089 14.036 502 HA ARG 67 HA ARG 67 -0.830 15.767 14.044 503 HB2 ARG 67 1HB ARG 67 1.840 14.819 12.972 504 HB3 ARG 67 2HB ARG 67 1.156 16.417 12.668 505 HG2 ARG 67 1HG ARG 67 1.253 16.981 14.982 506 HG3 ARG 67 2HG ARG 67 1.785 15.334 15.409 507 HD2 ARG 67 1HD ARG 67 3.746 15.587 14.034 508 HD3 ARG 67 2HD ARG 67 3.209 17.179 13.543 509 HE ARG 67 HE ARG 67 4.404 16.372 16.111 510 HH11 ARG 67 1HH1 ARG 67 2.778 19.020 14.390 511 HH12 ARG 67 2HH1 ARG 67 3.434 20.227 15.483 512 HH21 ARG 67 1HH2 ARG 67 5.136 18.022 17.448 513 HH22 ARG 67 2HH2 ARG 67 4.690 19.692 17.131 514 H TRP 68 H TRP 68 -1.071 16.733 11.928 515 HA TRP 68 HA TRP 68 -1.371 14.781 9.680 516 HB2 TRP 68 1HB TRP 68 -3.310 16.924 10.596 517 HB3 TRP 68 2HB TRP 68 -3.361 16.188 8.992 518 HD1 TRP 68 HD1 TRP 68 -3.660 15.112 12.701 519 HE1 TRP 68 HE1 TRP 68 -5.191 13.087 12.876 520 HE3 TRP 68 HE3 TRP 68 -4.431 14.367 7.703 521 HZ2 TRP 68 HZ2 TRP 68 -6.501 11.350 11.095 522 HZ3 TRP 68 HZ3 TRP 68 -5.921 12.496 6.987 523 HH2 TRP 68 HH2 TRP 68 -6.945 10.985 8.690 524 H TYR 69 H TYR 69 -0.832 15.684 7.663 525 HA TYR 69 HA TYR 69 0.337 18.460 7.742 526 HB2 TYR 69 1HB TYR 69 1.408 15.896 6.497 527 HB3 TYR 69 2HB TYR 69 1.992 17.501 6.061 528 HD1 TYR 69 HD1 TYR 69 1.550 15.331 9.170 529 HD2 TYR 69 HD2 TYR 69 3.840 18.406 7.190 530 HE1 TYR 69 HE1 TYR 69 3.233 15.276 11.002 531 HE2 TYR 69 HE2 TYR 69 5.517 18.322 9.035 532 HH TYR 69 HH TYR 69 5.178 16.138 11.835 533 H PHE 70 H PHE 70 0.155 19.511 5.544 534 HA PHE 70 HA PHE 70 -2.267 18.476 4.166 535 HB2 PHE 70 1HB PHE 70 -2.549 20.687 5.177 536 HB3 PHE 70 2HB PHE 70 -1.119 21.282 4.323 537 HD1 PHE 70 HD1 PHE 70 -4.517 19.820 3.731 538 HD2 PHE 70 HD2 PHE 70 -1.322 22.206 2.141 539 HE1 PHE 70 HE1 PHE 70 -5.942 20.412 1.778 540 HE2 PHE 70 HE2 PHE 70 -2.746 22.821 0.197 541 HZ PHE 70 HZ PHE 70 -5.059 21.925 0.004 542 H TYR 71 H TYR 71 -2.266 18.088 2.061 543 HA TYR 71 HA TYR 71 0.174 18.727 0.478 544 HB2 TYR 71 1HB TYR 71 -0.935 16.101 1.355 545 HB3 TYR 71 2HB TYR 71 -0.223 16.201 -0.282 546 HD1 TYR 71 HD1 TYR 71 0.395 16.025 3.316 547 HD2 TYR 71 HD2 TYR 71 2.236 16.870 -0.483 548 HE1 TYR 71 HE1 TYR 71 2.650 15.767 4.344 549 HE2 TYR 71 HE2 TYR 71 4.489 16.630 0.566 550 HH TYR 71 HH TYR 71 4.887 15.720 4.007 551 H TYR 72 H TYR 72 -0.312 18.904 -1.725 552 HA TYR 72 HA TYR 72 -3.116 19.572 -2.218 553 HB2 TYR 72 1HB TYR 72 -0.674 19.859 -3.974 554 HB3 TYR 72 2HB TYR 72 -2.275 20.531 -4.289 555 HD1 TYR 72 HD1 TYR 72 0.615 20.670 -1.892 556 HD2 TYR 72 HD2 TYR 72 -2.927 22.625 -3.355 557 HE1 TYR 72 HE1 TYR 72 1.163 22.676 -0.556 558 HE2 TYR 72 HE2 TYR 72 -2.329 24.664 -2.050 559 HH TYR 72 HH TYR 72 -0.820 25.631 -0.609 560 H LEU 73 H LEU 73 -4.236 18.869 -4.210 561 HA LEU 73 HA LEU 73 -4.400 16.058 -4.441 562 HB2 LEU 73 1HB LEU 73 -6.177 17.494 -5.208 563 HB3 LEU 73 2HB LEU 73 -5.137 18.293 -6.358 564 HG LEU 73 HG LEU 73 -5.190 16.442 -7.816 565 HD11 LEU 73 1HD1 LEU 73 -6.452 14.365 -7.437 566 HD12 LEU 73 2HD1 LEU 73 -6.859 14.913 -5.798 567 HD13 LEU 73 3HD1 LEU 73 -5.184 14.526 -6.224 568 HD21 LEU 73 1HD2 LEU 73 -7.960 16.826 -6.891 569 HD22 LEU 73 2HD2 LEU 73 -7.409 16.303 -8.495 570 HD23 LEU 73 3HD2 LEU 73 -7.031 17.939 -7.927 571 H GLY 74 H GLY 74 -3.216 14.530 -5.460 572 HA2 GLY 74 1HA GLY 74 -1.799 13.581 -6.988 573 HA3 GLY 74 2HA GLY 74 -1.919 15.048 -7.956 574 H THR 75 H THR 75 -0.678 15.384 -4.662 575 HA THR 75 HA THR 75 1.989 15.914 -5.868 576 HB THR 75 HB THR 75 2.618 16.577 -3.502 577 HG1 THR 75 HG1 THR 75 -0.208 16.502 -3.084 578 HG21 THR 75 1HG2 THR 75 1.321 18.680 -3.539 579 HG22 THR 75 2HG2 THR 75 0.315 18.004 -4.842 580 HG23 THR 75 3HG2 THR 75 2.057 18.265 -5.101 581 H GLY 76 H GLY 76 3.814 14.775 -5.285 582 HA2 GLY 76 1HA GLY 76 4.966 13.030 -4.167 583 HA3 GLY 76 2HA GLY 76 3.421 12.287 -3.704 584 HA PRO 77 HA PRO 77 4.839 11.303 -8.230 585 HB2 PRO 77 1HB PRO 77 6.834 9.415 -8.105 586 HB3 PRO 77 2HB PRO 77 7.126 11.164 -8.135 587 HG2 PRO 77 1HG PRO 77 7.040 9.379 -5.739 588 HG3 PRO 77 2HG PRO 77 8.310 10.549 -6.226 589 HD2 PRO 77 1HD PRO 77 6.425 11.227 -4.440 590 HD3 PRO 77 2HD PRO 77 6.971 12.401 -5.690 591 H GLU 78 H GLU 78 4.938 9.081 -5.541 592 HA GLU 78 HA GLU 78 3.558 6.970 -7.148 593 HB2 GLU 78 1HB GLU 78 5.055 6.820 -4.512 594 HB3 GLU 78 2HB GLU 78 4.359 5.448 -5.382 595 HG2 GLU 78 1HG GLU 78 5.947 5.684 -7.174 596 HG3 GLU 78 2HG GLU 78 6.557 7.209 -6.507 597 H ALA 79 H ALA 79 2.438 9.465 -5.749 598 HA ALA 79 HA ALA 79 1.246 8.669 -3.322 599 HB1 ALA 79 1HB ALA 79 1.399 10.993 -3.941 600 HB2 ALA 79 2HB ALA 79 -0.313 10.589 -3.721 601 HB3 ALA 79 3HB ALA 79 0.363 10.747 -5.361 602 H GLY 80 H GLY 80 0.049 8.481 -6.672 603 HA2 GLY 80 1HA GLY 80 -1.707 7.302 -7.592 604 HA3 GLY 80 2HA GLY 80 -1.473 6.160 -6.259 605 H LEU 81 H LEU 81 -2.613 9.594 -6.144 606 HA LEU 81 HA LEU 81 -5.146 8.567 -5.064 607 HB2 LEU 81 1HB LEU 81 -3.158 10.536 -4.012 608 HB3 LEU 81 2HB LEU 81 -4.847 10.814 -3.736 609 HG LEU 81 HG LEU 81 -3.293 8.415 -2.793 610 HD11 LEU 81 1HD1 LEU 81 -4.491 10.796 -1.323 611 HD12 LEU 81 2HD1 LEU 81 -2.762 10.500 -1.611 612 HD13 LEU 81 3HD1 LEU 81 -3.685 9.409 -0.562 613 HD21 LEU 81 1HD2 LEU 81 -5.375 7.878 -1.514 614 HD22 LEU 81 2HD2 LEU 81 -5.591 7.737 -3.271 615 HD23 LEU 81 3HD2 LEU 81 -6.222 9.144 -2.393 616 HA PRO 82 HA PRO 82 -6.709 11.746 -7.902 617 HB2 PRO 82 1HB PRO 82 -9.014 10.409 -8.470 618 HB3 PRO 82 2HB PRO 82 -7.471 9.992 -9.289 619 HG2 PRO 82 1HG PRO 82 -8.848 8.632 -7.003 620 HG3 PRO 82 2HG PRO 82 -7.996 7.921 -8.391 621 HD2 PRO 82 1HD PRO 82 -6.934 8.183 -5.908 622 HD3 PRO 82 2HD PRO 82 -5.983 8.032 -7.397 623 H TYR 83 H TYR 83 -8.697 13.077 -7.426 624 HA TYR 83 HA TYR 83 -8.958 13.468 -4.630 625 HB2 TYR 83 1HB TYR 83 -9.374 15.169 -6.415 626 HB3 TYR 83 2HB TYR 83 -10.875 14.332 -6.813 627 HD1 TYR 83 HD1 TYR 83 -12.835 14.506 -5.306 628 HD2 TYR 83 HD2 TYR 83 -9.104 16.385 -4.284 629 HE1 TYR 83 HE1 TYR 83 -13.970 15.792 -3.489 630 HE2 TYR 83 HE2 TYR 83 -10.245 17.675 -2.491 631 HH TYR 83 HH TYR 83 -13.703 17.250 -1.741 632 H GLY 84 H GLY 84 -10.286 12.663 -3.119 633 HA2 GLY 84 1HA GLY 84 -12.258 11.713 -2.290 634 HA3 GLY 84 2HA GLY 84 -12.749 11.269 -3.926 635 H ALA 85 H ALA 85 -9.637 10.139 -3.858 636 HA ALA 85 HA ALA 85 -10.561 7.438 -3.497 637 HB1 ALA 85 1HB ALA 85 -8.781 7.678 -4.957 638 HB2 ALA 85 2HB ALA 85 -8.060 6.933 -3.518 639 HB3 ALA 85 3HB ALA 85 -7.841 8.675 -3.829 640 H ASN 86 H ASN 86 -10.681 6.158 -1.821 641 HA ASN 86 HA ASN 86 -10.131 7.214 0.845 642 HB2 ASN 86 1HB ASN 86 -12.123 5.786 0.267 643 HB3 ASN 86 2HB ASN 86 -11.017 4.431 -0.010 644 HD21 ASN 86 1HD2 ASN 86 -11.927 3.695 3.336 645 HD22 ASN 86 2HD2 ASN 86 -12.326 3.392 1.663 646 H LYS 87 H LYS 87 -8.347 6.876 2.037 647 HA LYS 87 HA LYS 87 -6.614 4.543 1.582 648 HB2 LYS 87 1HB LYS 87 -5.958 6.217 -0.154 649 HB3 LYS 87 2HB LYS 87 -5.646 7.368 1.090 650 HG2 LYS 87 1HG LYS 87 -3.701 6.306 1.848 651 HG3 LYS 87 2HG LYS 87 -4.170 4.738 1.146 652 HD2 LYS 87 1HD LYS 87 -3.378 7.183 -0.491 653 HD3 LYS 87 2HD LYS 87 -2.260 5.893 -0.036 654 HE2 LYS 87 1HE LYS 87 -3.637 4.242 -1.288 655 HE3 LYS 87 2HE LYS 87 -4.767 5.527 -1.745 656 HZ1 LYS 87 1HZ LYS 87 -3.244 5.163 -3.542 657 HZ2 LYS 87 2HZ LYS 87 -1.921 5.337 -2.572 658 HZ3 LYS 87 3HZ LYS 87 -2.880 6.631 -2.897 659 H ASP 88 H ASP 88 -4.995 4.449 3.336 660 HA ASP 88 HA ASP 88 -6.044 5.067 5.865 661 HB2 ASP 88 1HB ASP 88 -4.369 3.405 5.790 662 HB3 ASP 88 2HB ASP 88 -3.263 4.438 4.868 663 H GLY 89 H GLY 89 -6.348 6.918 6.862 664 HA2 GLY 89 1HA GLY 89 -5.854 8.962 7.796 665 HA3 GLY 89 2HA GLY 89 -4.167 8.675 7.351 666 H ILE 90 H ILE 90 -6.872 8.873 5.031 667 HA ILE 90 HA ILE 90 -5.724 11.473 4.125 668 HB ILE 90 HB ILE 90 -6.888 9.254 2.336 669 HG12 ILE 90 1HG1 ILE 90 -4.667 8.663 3.163 670 HG13 ILE 90 2HG1 ILE 90 -4.647 9.028 1.447 671 HG21 ILE 90 1HG2 ILE 90 -6.040 10.766 0.485 672 HG22 ILE 90 2HG2 ILE 90 -5.714 12.016 1.713 673 HG23 ILE 90 3HG2 ILE 90 -7.379 11.467 1.409 674 HD11 ILE 90 1HD1 ILE 90 -2.737 9.820 2.811 675 HD12 ILE 90 2HD1 ILE 90 -3.834 11.076 3.454 676 HD13 ILE 90 3HD1 ILE 90 -3.500 10.984 1.710 677 H ILE 91 H ILE 91 -7.022 13.090 4.137 678 HA ILE 91 HA ILE 91 -9.970 12.600 3.797 679 HB ILE 91 HB ILE 91 -10.342 14.694 5.178 680 HG12 ILE 91 1HG1 ILE 91 -7.918 14.366 6.790 681 HG13 ILE 91 2HG1 ILE 91 -7.538 14.838 5.160 682 HG21 ILE 91 1HG2 ILE 91 -10.397 13.556 7.293 683 HG22 ILE 91 2HG2 ILE 91 -9.176 12.368 6.755 684 HG23 ILE 91 3HG2 ILE 91 -10.797 12.388 6.020 685 HD11 ILE 91 1HD1 ILE 91 -7.874 16.790 6.627 686 HD12 ILE 91 2HD1 ILE 91 -9.560 16.296 6.877 687 HD13 ILE 91 3HD1 ILE 91 -8.987 16.761 5.252 688 H TRP 92 H TRP 92 -10.745 13.569 2.025 689 HA TRP 92 HA TRP 92 -9.002 15.476 0.635 690 HB2 TRP 92 1HB TRP 92 -11.595 14.096 -0.090 691 HB3 TRP 92 2HB TRP 92 -10.751 15.242 -1.142 692 HD1 TRP 92 HD1 TRP 92 -10.586 11.678 0.076 693 HE1 TRP 92 HE1 TRP 92 -8.700 10.413 -1.054 694 HE3 TRP 92 HE3 TRP 92 -8.318 15.694 -2.132 695 HZ2 TRP 92 HZ2 TRP 92 -6.527 11.072 -2.749 696 HZ3 TRP 92 HZ3 TRP 92 -6.277 15.297 -3.520 697 HH2 TRP 92 HH2 TRP 92 -5.389 12.973 -3.837 698 H VAL 93 H VAL 93 -9.278 17.565 0.300 699 HA VAL 93 HA VAL 93 -11.887 18.802 1.031 700 HB VAL 93 HB VAL 93 -10.598 20.708 2.106 701 HG11 VAL 93 1HG1 VAL 93 -10.288 19.581 4.276 702 HG12 VAL 93 2HG1 VAL 93 -10.337 17.997 3.476 703 HG13 VAL 93 3HG1 VAL 93 -11.778 19.040 3.478 704 HG21 VAL 93 1HG2 VAL 93 -8.320 20.358 2.896 705 HG22 VAL 93 2HG2 VAL 93 -8.344 20.130 1.138 706 HG23 VAL 93 3HG2 VAL 93 -8.283 18.717 2.215 707 H ALA 94 H ALA 94 -12.312 20.730 -0.083 708 HA ALA 94 HA ALA 94 -10.428 21.881 -1.969 709 HB1 ALA 94 1HB ALA 94 -11.173 19.852 -3.307 710 HB2 ALA 94 2HB ALA 94 -11.768 21.362 -4.020 711 HB3 ALA 94 3HB ALA 94 -12.864 20.337 -3.059 712 H THR 95 H THR 95 -11.591 23.776 -2.958 713 HA THR 95 HA THR 95 -14.064 24.492 -1.468 714 HB THR 95 HB THR 95 -11.952 25.684 -0.587 715 HG1 THR 95 HG1 THR 95 -13.917 26.577 -0.139 716 HG21 THR 95 1HG2 THR 95 -11.035 27.486 -1.854 717 HG22 THR 95 2HG2 THR 95 -12.242 27.302 -3.142 718 HG23 THR 95 3HG2 THR 95 -10.986 26.064 -2.916 719 H GLU 96 H GLU 96 -15.051 26.496 -2.797 720 HA GLU 96 HA GLU 96 -15.586 25.373 -5.379 721 HB2 GLU 96 1HB GLU 96 -17.151 26.741 -3.952 722 HB3 GLU 96 2HB GLU 96 -16.241 28.181 -4.434 723 HG2 GLU 96 1HG GLU 96 -17.001 28.070 -6.632 724 HG3 GLU 96 2HG GLU 96 -17.280 26.322 -6.547 725 H GLY 97 H GLY 97 -14.758 25.795 -7.336 726 HA2 GLY 97 1HA GLY 97 -13.690 27.123 -8.976 727 HA3 GLY 97 2HA GLY 97 -12.996 28.141 -7.707 728 H ALA 98 H ALA 98 -12.405 25.207 -6.460 729 HA ALA 98 HA ALA 98 -9.669 25.218 -7.419 730 HB1 ALA 98 1HB ALA 98 -10.428 24.668 -5.081 731 HB2 ALA 98 2HB ALA 98 -9.331 23.490 -5.825 732 HB3 ALA 98 3HB ALA 98 -11.077 23.140 -5.726 733 H LEU 99 H LEU 99 -8.759 23.902 -8.958 734 HA LEU 99 HA LEU 99 -10.668 22.436 -10.651 735 HB2 LEU 99 1HB LEU 99 -7.708 23.016 -10.939 736 HB3 LEU 99 2HB LEU 99 -8.679 22.155 -12.118 737 HG LEU 99 HG LEU 99 -8.965 25.069 -11.352 738 HD11 LEU 99 1HD1 LEU 99 -8.190 25.400 -13.667 739 HD12 LEU 99 2HD1 LEU 99 -8.070 23.632 -13.883 740 HD13 LEU 99 3HD1 LEU 99 -7.009 24.474 -12.725 741 HD21 LEU 99 1HD2 LEU 99 -10.587 25.183 -13.244 742 HD22 LEU 99 2HD2 LEU 99 -11.191 24.225 -11.883 743 HD23 LEU 99 3HD2 LEU 99 -10.570 23.406 -13.342 744 H ASN 100 H ASN 100 -10.674 20.325 -11.104 745 HA ASN 100 HA ASN 100 -9.388 18.563 -9.130 746 HB2 ASN 100 1HB ASN 100 -11.782 18.297 -9.854 747 HB3 ASN 100 2HB ASN 100 -11.201 17.849 -11.464 748 HD21 ASN 100 1HD2 ASN 100 -11.290 14.535 -10.412 749 HD22 ASN 100 2HD2 ASN 100 -11.853 15.760 -11.522 750 H THR 101 H THR 101 -7.291 19.472 -10.166 751 HA THR 101 HA THR 101 -6.344 17.445 -12.139 752 HB THR 101 HB THR 101 -6.909 19.933 -13.042 753 HG1 THR 101 HG1 THR 101 -5.384 19.546 -14.645 754 HG21 THR 101 1HG2 THR 101 -4.973 21.370 -13.080 755 HG22 THR 101 2HG2 THR 101 -4.013 20.179 -12.164 756 HG23 THR 101 3HG2 THR 101 -5.387 21.020 -11.389 757 HA PRO 102 HA PRO 102 -3.212 17.117 -9.096 758 HB2 PRO 102 1HB PRO 102 -0.912 16.681 -10.543 759 HB3 PRO 102 2HB PRO 102 -2.201 15.443 -10.364 760 HG2 PRO 102 1HG PRO 102 -1.719 17.392 -12.606 761 HG3 PRO 102 2HG PRO 102 -2.012 15.625 -12.689 762 HD2 PRO 102 1HD PRO 102 -3.984 17.369 -13.113 763 HD3 PRO 102 2HD PRO 102 -4.277 15.857 -12.189 764 H LYS 103 H LYS 103 -1.561 18.110 -8.020 765 HA LYS 103 HA LYS 103 -0.652 20.774 -9.044 766 HB2 LYS 103 1HB LYS 103 -1.397 19.967 -6.224 767 HB3 LYS 103 2HB LYS 103 -0.935 21.571 -6.756 768 HG2 LYS 103 1HG LYS 103 -3.436 20.081 -7.506 769 HG3 LYS 103 2HG LYS 103 -3.344 21.409 -6.361 770 HD2 LYS 103 1HD LYS 103 -2.706 22.947 -8.130 771 HD3 LYS 103 2HD LYS 103 -2.663 21.641 -9.320 772 HE2 LYS 103 1HE LYS 103 -5.046 21.242 -9.034 773 HE3 LYS 103 2HE LYS 103 -5.114 22.474 -7.764 774 HZ1 LYS 103 1HZ LYS 103 -4.553 22.922 -10.623 775 HZ2 LYS 103 2HZ LYS 103 -4.303 24.077 -9.465 776 HZ3 LYS 103 3HZ LYS 103 -5.825 23.496 -9.733 777 H ASP 104 H ASP 104 0.763 18.314 -9.317 778 HA ASP 104 HA ASP 104 2.539 17.656 -7.250 779 HB2 ASP 104 1HB ASP 104 3.952 16.722 -8.995 780 HB3 ASP 104 2HB ASP 104 2.254 16.403 -9.384 781 H HIS 105 H HIS 105 2.780 20.195 -9.721 782 HA HIS 105 HA HIS 105 5.424 21.053 -9.073 783 HB2 HIS 105 1HB HIS 105 4.987 22.901 -10.493 784 HB3 HIS 105 2HB HIS 105 4.108 21.526 -11.175 785 HD1 HIS 105 HD1 HIS 105 3.631 24.935 -9.639 786 HD2 HIS 105 HD2 HIS 105 1.246 21.746 -10.958 787 HE1 HIS 105 HE1 HIS 105 1.237 25.813 -9.808 788 H ILE 106 H ILE 106 2.611 21.410 -7.174 789 HA ILE 106 HA ILE 106 3.577 23.948 -5.973 790 HB ILE 106 HB ILE 106 1.067 22.291 -5.332 791 HG12 ILE 106 1HG1 ILE 106 1.535 24.716 -7.106 792 HG13 ILE 106 2HG1 ILE 106 1.018 23.105 -7.606 793 HG21 ILE 106 1HG2 ILE 106 0.347 24.326 -4.095 794 HG22 ILE 106 2HG2 ILE 106 1.848 25.172 -4.540 795 HG23 ILE 106 3HG2 ILE 106 1.891 23.771 -3.447 796 HD11 ILE 106 1HD1 ILE 106 -0.913 24.289 -7.644 797 HD12 ILE 106 2HD1 ILE 106 -0.511 25.218 -6.184 798 HD13 ILE 106 3HD1 ILE 106 -0.988 23.506 -6.049 799 H GLY 107 H GLY 107 2.968 20.509 -5.159 800 HA2 GLY 107 1HA GLY 107 3.782 20.821 -2.421 801 HA3 GLY 107 2HA GLY 107 3.582 19.301 -3.289 802 H THR 108 H THR 108 5.782 21.170 -5.008 803 HA THR 108 HA THR 108 7.974 19.457 -4.101 804 HB THR 108 HB THR 108 7.524 19.956 -6.527 805 HG1 THR 108 HG1 THR 108 10.022 20.715 -5.401 806 HG21 THR 108 1HG2 THR 108 8.121 22.075 -7.496 807 HG22 THR 108 2HG2 THR 108 8.695 22.704 -5.940 808 HG23 THR 108 3HG2 THR 108 6.960 22.409 -6.198 809 H ARG 109 H ARG 109 6.805 21.920 -2.506 810 HA ARG 109 HA ARG 109 8.888 23.848 -2.193 811 HB2 ARG 109 1HB ARG 109 6.587 23.967 -1.154 812 HB3 ARG 109 2HB ARG 109 7.071 22.682 -0.044 813 HG2 ARG 109 1HG ARG 109 9.011 24.258 0.648 814 HG3 ARG 109 2HG ARG 109 8.106 25.524 -0.197 815 HD2 ARG 109 1HD ARG 109 7.454 25.656 2.080 816 HD3 ARG 109 2HD ARG 109 6.124 24.875 1.232 817 HE ARG 109 HE ARG 109 6.494 22.911 2.402 818 HH11 ARG 109 1HH1 ARG 109 9.190 25.095 3.032 819 HH12 ARG 109 2HH1 ARG 109 9.800 24.123 4.331 820 HH21 ARG 109 1HH2 ARG 109 7.297 21.743 4.065 821 HH22 ARG 109 2HH2 ARG 109 8.758 22.232 4.896 822 H ASN 110 H ASN 110 10.924 23.645 -1.257 823 HA ASN 110 HA ASN 110 11.545 21.007 -0.034 824 HB2 ASN 110 1HB ASN 110 12.997 22.413 -1.839 825 HB3 ASN 110 2HB ASN 110 13.601 23.069 -0.317 826 HD21 ASN 110 1HD2 ASN 110 14.713 19.431 -1.367 827 HD22 ASN 110 2HD2 ASN 110 13.544 20.298 -2.320 828 HA PRO 111 HA PRO 111 11.394 23.133 3.868 829 HB2 PRO 111 1HB PRO 111 12.480 21.265 5.507 830 HB3 PRO 111 2HB PRO 111 10.877 21.027 4.735 831 HG2 PRO 111 1HG PRO 111 13.569 20.029 3.845 832 HG3 PRO 111 2HG PRO 111 12.042 19.110 4.061 833 HD2 PRO 111 1HD PRO 111 12.884 20.022 1.661 834 HD3 PRO 111 2HD PRO 111 11.154 19.985 2.062 835 H ALA 112 H ALA 112 14.423 22.020 2.445 836 HA ALA 112 HA ALA 112 16.074 23.367 4.461 837 HB1 ALA 112 1HB ALA 112 16.868 21.345 3.250 838 HB2 ALA 112 2HB ALA 112 17.929 22.745 2.961 839 HB3 ALA 112 3HB ALA 112 16.774 22.235 1.710 840 H ASN 113 H ASN 113 14.458 24.150 1.493 841 HA ASN 113 HA ASN 113 16.153 26.537 1.041 842 HB2 ASN 113 1HB ASN 113 13.952 25.251 -0.613 843 HB3 ASN 113 2HB ASN 113 14.845 26.691 -1.081 844 HD21 ASN 113 1HD2 ASN 113 16.349 23.606 -2.604 845 HD22 ASN 113 2HD2 ASN 113 14.719 24.228 -2.520 846 H ASN 114 H ASN 114 13.004 25.699 2.295 847 HA ASN 114 HA ASN 114 12.452 28.567 2.728 848 HB2 ASN 114 1HB ASN 114 11.410 28.234 0.593 849 HB3 ASN 114 2HB ASN 114 10.631 26.741 1.150 850 HD21 ASN 114 1HD2 ASN 114 7.888 28.336 2.428 851 HD22 ASN 114 2HD2 ASN 114 8.652 26.933 1.726 852 H ALA 115 H ALA 115 10.889 28.990 4.334 853 HA ALA 115 HA ALA 115 10.588 26.782 6.276 854 HB1 ALA 115 1HB ALA 115 11.386 28.992 7.053 855 HB2 ALA 115 2HB ALA 115 9.823 28.577 7.797 856 HB3 ALA 115 3HB ALA 115 9.884 29.745 6.458 857 H ALA 116 H ALA 116 8.645 25.918 6.907 858 HA ALA 116 HA ALA 116 6.420 26.075 5.086 859 HB1 ALA 116 1HB ALA 116 5.332 24.509 6.626 860 HB2 ALA 116 2HB ALA 116 6.571 24.822 7.863 861 HB3 ALA 116 3HB ALA 116 7.009 24.004 6.342 862 H ILE 117 H ILE 117 4.358 26.882 5.428 863 HA ILE 117 HA ILE 117 4.252 29.359 6.979 864 HB ILE 117 HB ILE 117 2.128 27.932 5.348 865 HG12 ILE 117 1HG1 ILE 117 3.553 30.353 4.328 866 HG13 ILE 117 2HG1 ILE 117 4.406 28.815 4.261 867 HG21 ILE 117 1HG2 ILE 117 1.080 30.206 5.174 868 HG22 ILE 117 2HG2 ILE 117 2.305 30.830 6.300 869 HG23 ILE 117 3HG2 ILE 117 1.122 29.616 6.839 870 HD11 ILE 117 1HD1 ILE 117 3.211 29.240 2.194 871 HD12 ILE 117 2HD1 ILE 117 1.679 29.332 3.091 872 HD13 ILE 117 3HD1 ILE 117 2.578 27.796 3.026 873 H VAL 118 H VAL 118 3.151 29.621 8.989 874 HA VAL 118 HA VAL 118 2.262 27.368 10.536 875 HB VAL 118 HB VAL 118 1.457 30.331 10.687 876 HG11 VAL 118 1HG1 VAL 118 0.815 29.809 13.039 877 HG12 VAL 118 2HG1 VAL 118 1.080 28.084 12.708 878 HG13 VAL 118 3HG1 VAL 118 -0.202 28.970 11.850 879 HG21 VAL 118 1HG2 VAL 118 3.112 30.389 12.573 880 HG22 VAL 118 2HG2 VAL 118 3.861 30.047 11.001 881 HG23 VAL 118 3HG2 VAL 118 3.591 28.727 12.162 882 H LEU 119 H LEU 119 0.497 26.134 10.209 883 HA LEU 119 HA LEU 119 -1.289 26.704 8.043 884 HB2 LEU 119 1HB LEU 119 -0.561 24.461 8.993 885 HB3 LEU 119 2HB LEU 119 -1.740 24.699 10.274 886 HG LEU 119 HG LEU 119 -2.607 24.866 7.379 887 HD11 LEU 119 1HD1 LEU 119 -2.961 22.455 7.334 888 HD12 LEU 119 2HD1 LEU 119 -2.215 22.293 8.944 889 HD13 LEU 119 3HD1 LEU 119 -1.244 22.826 7.563 890 HD21 LEU 119 1HD2 LEU 119 -3.928 24.013 9.990 891 HD22 LEU 119 2HD2 LEU 119 -4.678 23.771 8.400 892 HD23 LEU 119 3HD2 LEU 119 -4.335 25.409 8.976 893 H GLN 120 H GLN 120 -3.111 27.800 7.955 894 HA GLN 120 HA GLN 120 -4.593 28.478 10.459 895 HB2 GLN 120 1HB GLN 120 -3.784 30.320 8.190 896 HB3 GLN 120 2HB GLN 120 -4.980 30.734 9.425 897 HG2 GLN 120 1HG GLN 120 -3.392 30.927 11.096 898 HG3 GLN 120 2HG GLN 120 -2.232 29.908 10.247 899 HE21 GLN 120 1HE2 GLN 120 -0.785 32.498 8.397 900 HE22 GLN 120 2HE2 GLN 120 -0.918 30.767 8.644 901 H LEU 121 H LEU 121 -6.841 28.852 10.017 902 HA LEU 121 HA LEU 121 -7.723 27.688 7.405 903 HB2 LEU 121 1HB LEU 121 -8.815 27.608 10.206 904 HB3 LEU 121 2HB LEU 121 -9.948 27.588 8.869 905 HG LEU 121 HG LEU 121 -7.765 25.532 9.292 906 HD11 LEU 121 1HD1 LEU 121 -9.738 24.100 9.927 907 HD12 LEU 121 2HD1 LEU 121 -10.745 25.563 9.897 908 HD13 LEU 121 3HD1 LEU 121 -9.412 25.428 11.059 909 HD21 LEU 121 1HD2 LEU 121 -9.113 24.209 7.625 910 HD22 LEU 121 2HD2 LEU 121 -8.389 25.665 6.921 911 HD23 LEU 121 3HD2 LEU 121 -10.120 25.650 7.336 912 HA PRO 122 HA PRO 122 -9.382 31.650 6.639 913 HB2 PRO 122 1HB PRO 122 -11.358 31.147 4.844 914 HB3 PRO 122 2HB PRO 122 -9.607 30.926 4.437 915 HG2 PRO 122 1HG PRO 122 -11.635 28.885 5.324 916 HG3 PRO 122 2HG PRO 122 -10.532 28.838 3.911 917 HD2 PRO 122 1HD PRO 122 -9.935 27.605 6.232 918 HD3 PRO 122 2HD PRO 122 -8.664 28.397 5.240 919 H GLN 123 H GLN 123 -11.303 32.987 6.853 920 HA GLN 123 HA GLN 123 -12.723 32.536 9.234 921 HB2 GLN 123 1HB GLN 123 -12.401 34.736 8.086 922 HB3 GLN 123 2HB GLN 123 -13.545 34.229 6.838 923 HG2 GLN 123 1HG GLN 123 -15.336 34.089 8.521 924 HG3 GLN 123 2HG GLN 123 -14.193 34.573 9.785 925 HE21 GLN 123 1HE2 GLN 123 -16.135 37.366 7.740 926 HE22 GLN 123 2HE2 GLN 123 -16.586 35.680 7.814 927 H GLY 124 H GLY 124 -14.492 31.408 9.749 928 HA2 GLY 124 1HA GLY 124 -16.697 30.579 9.232 929 HA3 GLY 124 2HA GLY 124 -16.210 30.375 7.543 930 H THR 125 H THR 125 -13.516 29.175 8.452 931 HA THR 125 HA THR 125 -14.699 26.503 9.052 932 HB THR 125 HB THR 125 -11.869 26.988 8.107 933 HG1 THR 125 HG1 THR 125 -13.314 27.906 6.604 934 HG21 THR 125 1HG2 THR 125 -13.808 24.642 7.846 935 HG22 THR 125 2HG2 THR 125 -12.478 24.726 9.012 936 HG23 THR 125 3HG2 THR 125 -12.130 24.679 7.278 937 H THR 126 H THR 126 -14.378 25.476 10.867 938 HA THR 126 HA THR 126 -12.295 26.487 12.748 939 HB THR 126 HB THR 126 -13.865 25.315 14.463 940 HG1 THR 126 HG1 THR 126 -16.026 25.229 13.759 941 HG21 THR 126 1HG2 THR 126 -15.224 27.328 14.708 942 HG22 THR 126 2HG2 THR 126 -14.827 27.826 13.046 943 HG23 THR 126 3HG2 THR 126 -13.551 27.763 14.290 944 H LEU 127 H LEU 127 -11.100 24.966 13.865 945 HA LEU 127 HA LEU 127 -10.650 22.460 12.474 946 HB2 LEU 127 1HB LEU 127 -9.697 23.441 15.170 947 HB3 LEU 127 2HB LEU 127 -9.111 22.000 14.386 948 HG LEU 127 HG LEU 127 -8.757 24.773 13.222 949 HD11 LEU 127 1HD1 LEU 127 -6.452 24.654 14.033 950 HD12 LEU 127 2HD1 LEU 127 -6.787 23.091 14.813 951 HD13 LEU 127 3HD1 LEU 127 -7.593 24.563 15.393 952 HD21 LEU 127 1HD2 LEU 127 -7.415 22.105 12.608 953 HD22 LEU 127 2HD2 LEU 127 -7.064 23.665 11.825 954 HD23 LEU 127 3HD2 LEU 127 -8.645 22.900 11.602 955 HA PRO 128 HA PRO 128 -13.550 20.136 14.860 956 HB2 PRO 128 1HB PRO 128 -12.565 17.604 14.720 957 HB3 PRO 128 2HB PRO 128 -13.255 18.450 13.302 958 HG2 PRO 128 1HG PRO 128 -10.448 18.002 14.067 959 HG3 PRO 128 2HG PRO 128 -11.231 17.913 12.474 960 HD2 PRO 128 1HD PRO 128 -9.744 20.065 13.405 961 HD3 PRO 128 2HD PRO 128 -10.989 20.190 12.128 962 H LYS 129 H LYS 129 -13.530 18.400 16.796 963 HA LYS 129 HA LYS 129 -12.387 19.969 18.870 964 HB2 LYS 129 1HB LYS 129 -14.489 18.577 18.931 965 HB3 LYS 129 2HB LYS 129 -13.464 17.154 19.176 966 HG2 LYS 129 1HG LYS 129 -12.642 18.035 21.273 967 HG3 LYS 129 2HG LYS 129 -13.393 19.611 20.956 968 HD2 LYS 129 1HD LYS 129 -15.629 18.520 20.991 969 HD3 LYS 129 2HD LYS 129 -14.847 16.996 21.463 970 HE2 LYS 129 1HE LYS 129 -13.958 18.066 23.497 971 HE3 LYS 129 2HE LYS 129 -14.652 19.623 22.998 972 HZ1 LYS 129 1HZ LYS 129 -16.057 18.505 24.609 973 HZ2 LYS 129 2HZ LYS 129 -16.218 17.187 23.628 974 HZ3 LYS 129 3HZ LYS 129 -16.851 18.639 23.171 975 H GLY 130 H GLY 130 -10.528 20.029 19.806 976 HA2 GLY 130 1HA GLY 130 -8.742 19.079 21.019 977 HA3 GLY 130 2HA GLY 130 -8.963 17.564 20.149 978 H PHE 131 H PHE 131 -8.985 19.889 17.780 979 HA PHE 131 HA PHE 131 -6.194 19.336 17.163 980 HB2 PHE 131 1HB PHE 131 -8.658 20.028 15.666 981 HB3 PHE 131 2HB PHE 131 -7.163 20.741 15.065 982 HD1 PHE 131 HD1 PHE 131 -9.003 17.602 15.581 983 HD2 PHE 131 HD2 PHE 131 -5.365 19.397 14.197 984 HE1 PHE 131 HE1 PHE 131 -8.434 15.502 14.381 985 HE2 PHE 131 HE2 PHE 131 -4.768 17.292 13.005 986 HZ PHE 131 HZ PHE 131 -6.319 15.350 13.093 987 H TYR 132 H TYR 132 -4.750 20.744 16.871 988 HA TYR 132 HA TYR 132 -5.318 23.641 16.835 989 HB2 TYR 132 1HB TYR 132 -3.514 24.132 18.446 990 HB3 TYR 132 2HB TYR 132 -4.872 23.284 19.182 991 HD1 TYR 132 HD1 TYR 132 -4.644 20.894 19.900 992 HD2 TYR 132 HD2 TYR 132 -1.285 23.108 18.353 993 HE1 TYR 132 HE1 TYR 132 -3.087 19.242 20.905 994 HE2 TYR 132 HE2 TYR 132 0.269 21.442 19.365 995 HH TYR 132 HH TYR 132 -0.937 18.726 21.373 996 H ALA 133 H ALA 133 -3.286 24.829 16.127 997 HA ALA 133 HA ALA 133 -1.963 23.144 14.062 998 HB1 ALA 133 1HB ALA 133 -3.339 24.988 13.191 999 HB2 ALA 133 2HB ALA 133 -1.618 25.282 12.852 1000 HB3 ALA 133 3HB ALA 133 -2.425 26.152 14.174 1001 H GLU 134 H GLU 134 0.225 23.299 13.634 1002 HA GLU 134 HA GLU 134 1.869 23.882 15.993 1003 HB2 GLU 134 1HB GLU 134 2.318 21.942 14.556 1004 HB3 GLU 134 2HB GLU 134 2.536 22.994 13.164 1005 HG2 GLU 134 1HG GLU 134 4.683 22.305 13.949 1006 HG3 GLU 134 2HG GLU 134 4.481 24.037 14.277 1007 H GLY 135 H GLY 135 3.299 25.604 16.240 1008 HA2 GLY 135 1HA GLY 135 4.362 27.605 15.682 1009 HA3 GLY 135 2HA GLY 135 3.726 27.486 14.034 1010 H SER 136 H SER 136 1.150 26.978 16.001 1011 HA SER 136 HA SER 136 0.276 29.821 15.837 1012 HB2 SER 136 1HB SER 136 -1.069 27.872 14.839 1013 HB3 SER 136 2HB SER 136 -1.394 27.379 16.511 1014 HG SER 136 HG SER 136 -2.224 29.680 15.110 1015 H ARG 137 H ARG 137 -1.743 29.310 17.902 1016 HA ARG 137 HA ARG 137 -0.246 30.088 20.240 1017 HB2 ARG 137 1HB ARG 137 -2.746 30.493 19.558 1018 HB3 ARG 137 2HB ARG 137 -3.056 28.941 20.318 1019 HG2 ARG 137 1HG ARG 137 -1.863 31.410 21.660 1020 HG3 ARG 137 2HG ARG 137 -3.527 30.844 21.820 1021 HD2 ARG 137 1HD ARG 137 -1.029 29.438 22.832 1022 HD3 ARG 137 2HD ARG 137 -2.259 30.257 23.803 1023 HE ARG 137 HE ARG 137 -3.311 28.088 22.162 1024 HH11 ARG 137 1HH1 ARG 137 -1.829 28.819 25.276 1025 HH12 ARG 137 2HH1 ARG 137 -2.517 27.398 26.042 1026 HH21 ARG 137 1HH2 ARG 137 -4.109 26.286 23.197 1027 HH22 ARG 137 2HH2 ARG 137 -3.775 26.004 24.891 1028 H GLY 138 H GLY 138 1.279 28.598 20.837 1029 HA2 GLY 138 1HA GLY 138 0.542 25.768 21.119 1030 HA3 GLY 138 2HA GLY 138 2.144 26.483 21.356 1031 H GLY 139 H GLY 139 1.500 24.677 23.153 1032 HA2 GLY 139 1HA GLY 139 1.721 24.644 25.513 1033 HA3 GLY 139 2HA GLY 139 1.018 26.275 25.603 1034 H SER 140 H SER 140 -0.155 24.765 27.365 1035 HA SER 140 HA SER 140 -2.348 23.179 26.227 1036 HB2 SER 140 1HB SER 140 -1.275 22.610 28.433 1037 HB3 SER 140 2HB SER 140 -1.915 24.138 29.087 1038 HG SER 140 HG SER 140 -4.015 23.246 28.211 Start of MODEL 35 1 H1 GLY 1 1H GLY 1 6.786 -4.532 -4.194 2 H2 GLY 1 2H GLY 1 7.932 -4.074 -5.290 3 H3 GLY 1 3H GLY 1 6.990 -2.935 -4.562 4 HA2 GLY 1 1HA GLY 1 7.948 -3.430 -2.416 5 HA3 GLY 1 2HA GLY 1 8.970 -4.645 -3.212 6 H ALA 2 H ALA 2 10.522 -2.970 -1.955 7 HA ALA 2 HA ALA 2 12.123 -1.360 -2.108 8 HB1 ALA 2 1HB ALA 2 12.833 -2.899 -3.932 9 HB2 ALA 2 2HB ALA 2 13.311 -1.212 -4.234 10 HB3 ALA 2 3HB ALA 2 11.924 -1.907 -5.100 11 H MET 3 H MET 3 9.826 -0.089 -1.633 12 HA MET 3 HA MET 3 10.090 2.459 -3.012 13 HB2 MET 3 1HB MET 3 7.581 2.511 -3.363 14 HB3 MET 3 2HB MET 3 8.470 1.501 -4.493 15 HG2 MET 3 1HG MET 3 6.482 0.344 -3.943 16 HG3 MET 3 2HG MET 3 7.794 -0.508 -3.135 17 HE1 MET 3 1HE MET 3 4.439 -0.725 -0.857 18 HE2 MET 3 2HE MET 3 5.571 -1.696 -1.824 19 HE3 MET 3 3HE MET 3 4.483 -0.536 -2.626 20 H GLY 4 H GLY 4 8.341 3.875 -1.758 21 HA2 GLY 4 1HA GLY 4 7.086 3.312 0.546 22 HA3 GLY 4 2HA GLY 4 8.757 3.262 1.096 23 H LEU 5 H LEU 5 10.062 5.349 0.594 24 HA LEU 5 HA LEU 5 8.303 7.568 1.497 25 HB2 LEU 5 1HB LEU 5 11.302 7.162 1.676 26 HB3 LEU 5 2HB LEU 5 10.467 8.617 2.208 27 HG LEU 5 HG LEU 5 10.030 5.851 3.387 28 HD11 LEU 5 1HD1 LEU 5 11.302 6.718 5.312 29 HD12 LEU 5 2HD1 LEU 5 11.591 8.245 4.442 30 HD13 LEU 5 3HD1 LEU 5 12.289 6.723 3.836 31 HD21 LEU 5 1HD2 LEU 5 8.889 7.122 5.216 32 HD22 LEU 5 2HD2 LEU 5 8.042 7.250 3.664 33 HD23 LEU 5 3HD2 LEU 5 9.038 8.607 4.247 34 HA PRO 6 HA PRO 6 9.123 9.627 -2.325 35 HB2 PRO 6 1HB PRO 6 8.425 12.186 -1.759 36 HB3 PRO 6 2HB PRO 6 7.196 10.878 -1.803 37 HG2 PRO 6 1HG PRO 6 8.634 12.047 0.573 38 HG3 PRO 6 2HG PRO 6 6.874 11.806 0.331 39 HD2 PRO 6 1HD PRO 6 8.410 10.029 1.706 40 HD3 PRO 6 2HD PRO 6 7.021 9.501 0.692 41 H ASN 7 H ASN 7 10.612 11.174 -3.295 42 HA ASN 7 HA ASN 7 13.156 11.275 -1.999 43 HB2 ASN 7 1HB ASN 7 12.092 12.786 -4.419 44 HB3 ASN 7 2HB ASN 7 13.789 12.757 -3.917 45 HD21 ASN 7 1HD2 ASN 7 12.875 10.095 -6.500 46 HD22 ASN 7 2HD2 ASN 7 12.405 11.773 -6.380 47 H ASN 8 H ASN 8 10.516 13.614 -2.184 48 HA ASN 8 HA ASN 8 11.691 15.138 0.000 49 HB2 ASN 8 1HB ASN 8 12.889 16.235 -1.819 50 HB3 ASN 8 2HB ASN 8 11.397 16.458 -2.735 51 HD21 ASN 8 1HD2 ASN 8 11.286 19.697 -1.396 52 HD22 ASN 8 2HD2 ASN 8 11.518 18.698 -2.808 53 H THR 9 H THR 9 9.546 16.542 -2.416 54 HA THR 9 HA THR 9 7.502 17.520 -2.121 55 HB THR 9 HB THR 9 5.655 15.934 -1.602 56 HG1 THR 9 HG1 THR 9 7.314 14.558 -0.364 57 HG21 THR 9 1HG2 THR 9 5.944 14.614 -3.658 58 HG22 THR 9 2HG2 THR 9 7.677 14.992 -3.675 59 HG23 THR 9 3HG2 THR 9 6.479 16.290 -3.914 60 H ALA 10 H ALA 10 8.240 18.875 -0.403 61 HA ALA 10 HA ALA 10 7.465 18.070 2.318 62 HB1 ALA 10 1HB ALA 10 9.669 19.231 1.797 63 HB2 ALA 10 2HB ALA 10 8.673 20.021 3.037 64 HB3 ALA 10 3HB ALA 10 8.722 20.683 1.387 65 H SER 11 H SER 11 5.703 18.840 3.348 66 HA SER 11 HA SER 11 3.566 20.064 1.893 67 HB2 SER 11 1HB SER 11 2.529 20.337 4.139 68 HB3 SER 11 2HB SER 11 3.197 18.707 3.922 69 HG SER 11 HG SER 11 3.941 20.709 5.666 70 H TRP 12 H TRP 12 2.861 22.222 1.840 71 HA TRP 12 HA TRP 12 4.903 24.228 2.181 72 HB2 TRP 12 1HB TRP 12 2.098 24.124 1.230 73 HB3 TRP 12 2HB TRP 12 2.615 25.665 1.936 74 HD1 TRP 12 HD1 TRP 12 2.928 23.647 -1.192 75 HE1 TRP 12 HE1 TRP 12 4.442 24.757 -2.886 76 HE3 TRP 12 HE3 TRP 12 4.876 27.216 1.894 77 HZ2 TRP 12 HZ2 TRP 12 6.324 26.907 -2.901 78 HZ3 TRP 12 HZ3 TRP 12 6.562 28.813 0.961 79 HH2 TRP 12 HH2 TRP 12 7.292 28.632 -1.415 80 H PHE 13 H PHE 13 2.519 22.888 4.283 81 HA PHE 13 HA PHE 13 2.795 25.226 6.095 82 HB2 PHE 13 1HB PHE 13 0.435 23.350 5.864 83 HB3 PHE 13 2HB PHE 13 0.520 24.867 6.773 84 HD1 PHE 13 HD1 PHE 13 -0.110 23.302 3.561 85 HD2 PHE 13 HD2 PHE 13 0.696 27.037 5.524 86 HE1 PHE 13 HE1 PHE 13 -0.840 24.518 1.532 87 HE2 PHE 13 HE2 PHE 13 -0.004 28.267 3.483 88 HZ PHE 13 HZ PHE 13 -0.738 27.001 1.474 89 H THR 14 H THR 14 2.425 24.841 8.336 90 HA THR 14 HA THR 14 3.972 22.600 9.311 91 HB THR 14 HB THR 14 3.329 23.450 11.541 92 HG1 THR 14 HG1 THR 14 1.920 25.158 11.738 93 HG21 THR 14 1HG2 THR 14 4.324 25.681 11.412 94 HG22 THR 14 2HG2 THR 14 4.116 25.685 9.650 95 HG23 THR 14 3HG2 THR 14 5.226 24.522 10.409 96 H ALA 15 H ALA 15 3.054 21.146 11.045 97 HA ALA 15 HA ALA 15 0.744 19.840 9.860 98 HB1 ALA 15 1HB ALA 15 2.308 19.061 12.326 99 HB2 ALA 15 2HB ALA 15 2.817 18.694 10.666 100 HB3 ALA 15 3HB ALA 15 1.300 18.023 11.284 101 H LEU 16 H LEU 16 -1.223 19.450 10.721 102 HA LEU 16 HA LEU 16 -2.096 20.988 13.082 103 HB2 LEU 16 1HB LEU 16 -3.384 18.845 11.353 104 HB3 LEU 16 2HB LEU 16 -4.130 19.464 12.807 105 HG LEU 16 HG LEU 16 -3.564 21.038 10.298 106 HD11 LEU 16 1HD1 LEU 16 -6.019 21.107 10.132 107 HD12 LEU 16 2HD1 LEU 16 -6.164 20.146 11.623 108 HD13 LEU 16 3HD1 LEU 16 -5.448 19.427 10.163 109 HD21 LEU 16 1HD2 LEU 16 -4.915 22.809 11.490 110 HD22 LEU 16 2HD2 LEU 16 -3.294 22.534 12.148 111 HD23 LEU 16 3HD2 LEU 16 -4.721 21.866 12.983 112 H THR 17 H THR 17 -2.565 19.987 15.090 113 HA THR 17 HA THR 17 -1.431 17.235 15.413 114 HB THR 17 HB THR 17 -1.179 19.537 17.375 115 HG1 THR 17 HG1 THR 17 0.056 19.835 15.460 116 HG21 THR 17 1HG2 THR 17 0.567 18.019 18.352 117 HG22 THR 17 2HG2 THR 17 0.009 16.742 17.245 118 HG23 THR 17 3HG2 THR 17 -1.090 17.396 18.486 119 H GLN 18 H GLN 18 -2.602 15.908 16.741 120 HA GLN 18 HA GLN 18 -5.291 16.972 17.474 121 HB2 GLN 18 1HB GLN 18 -5.047 15.367 15.561 122 HB3 GLN 18 2HB GLN 18 -4.410 14.186 16.697 123 HG2 GLN 18 1HG GLN 18 -6.542 14.290 17.949 124 HG3 GLN 18 2HG GLN 18 -7.182 15.372 16.713 125 HE21 GLN 18 1HE2 GLN 18 -8.345 12.080 15.807 126 HE22 GLN 18 2HE2 GLN 18 -8.657 13.363 16.956 127 H HIS 19 H HIS 19 -6.297 16.383 19.311 128 HA HIS 19 HA HIS 19 -5.035 14.348 21.099 129 HB2 HIS 19 1HB HIS 19 -4.505 16.609 21.991 130 HB3 HIS 19 2HB HIS 19 -6.219 17.033 21.930 131 HD1 HIS 19 HD1 HIS 19 -3.737 14.980 23.920 132 HD2 HIS 19 HD2 HIS 19 -7.786 15.963 23.962 133 HE1 HIS 19 HE1 HIS 19 -4.650 14.243 26.163 134 H GLY 20 H GLY 20 -6.569 12.740 20.578 135 HA2 GLY 20 1HA GLY 20 -9.236 12.982 21.552 136 HA3 GLY 20 2HA GLY 20 -9.233 13.286 19.809 137 H LYS 21 H LYS 21 -10.639 11.346 19.764 138 HA LYS 21 HA LYS 21 -9.068 8.794 19.916 139 HB2 LYS 21 1HB LYS 21 -12.001 9.401 20.379 140 HB3 LYS 21 2HB LYS 21 -11.427 7.765 20.060 141 HG2 LYS 21 1HG LYS 21 -10.381 9.446 22.365 142 HG3 LYS 21 2HG LYS 21 -11.774 8.356 22.491 143 HD2 LYS 21 1HD LYS 21 -10.312 6.477 21.682 144 HD3 LYS 21 2HD LYS 21 -8.919 7.574 21.785 145 HE2 LYS 21 1HE LYS 21 -9.349 7.900 24.197 146 HE3 LYS 21 2HE LYS 21 -10.765 6.829 24.094 147 HZ1 LYS 21 1HZ LYS 21 -8.820 5.643 24.900 148 HZ2 LYS 21 2HZ LYS 21 -7.964 6.020 23.540 149 HZ3 LYS 21 3HZ LYS 21 -9.280 5.030 23.439 150 H GLU 22 H GLU 22 -11.271 10.703 17.929 151 HA GLU 22 HA GLU 22 -11.433 8.667 15.805 152 HB2 GLU 22 1HB GLU 22 -12.400 11.539 16.004 153 HB3 GLU 22 2HB GLU 22 -12.754 10.434 14.661 154 HG2 GLU 22 1HG GLU 22 -13.953 8.925 16.174 155 HG3 GLU 22 2HG GLU 22 -13.526 9.937 17.564 156 H ASP 23 H ASP 23 -11.095 10.267 13.497 157 HA ASP 23 HA ASP 23 -8.151 10.701 13.743 158 HB2 ASP 23 1HB ASP 23 -8.031 10.147 11.377 159 HB3 ASP 23 2HB ASP 23 -8.867 8.887 12.282 160 H LEU 24 H LEU 24 -10.609 12.150 11.462 161 HA LEU 24 HA LEU 24 -10.267 14.866 12.119 162 HB2 LEU 24 1HB LEU 24 -7.854 14.634 11.440 163 HB3 LEU 24 2HB LEU 24 -8.356 13.965 9.902 164 HG LEU 24 HG LEU 24 -9.279 16.116 9.224 165 HD11 LEU 24 1HD1 LEU 24 -9.083 18.154 10.485 166 HD12 LEU 24 2HD1 LEU 24 -8.233 17.329 11.805 167 HD13 LEU 24 3HD1 LEU 24 -9.944 16.992 11.502 168 HD21 LEU 24 1HD2 LEU 24 -7.172 17.377 9.082 169 HD22 LEU 24 2HD2 LEU 24 -6.919 15.643 8.797 170 HD23 LEU 24 3HD2 LEU 24 -6.475 16.358 10.365 171 H LYS 25 H LYS 25 -11.594 16.089 10.866 172 HA LYS 25 HA LYS 25 -12.547 15.059 8.291 173 HB2 LYS 25 1HB LYS 25 -13.813 14.269 10.660 174 HB3 LYS 25 2HB LYS 25 -14.723 15.678 10.189 175 HG2 LYS 25 1HG LYS 25 -15.828 13.701 9.297 176 HG3 LYS 25 2HG LYS 25 -15.147 14.611 7.940 177 HD2 LYS 25 1HD LYS 25 -14.723 12.232 7.583 178 HD3 LYS 25 2HD LYS 25 -13.189 13.041 7.900 179 HE2 LYS 25 1HE LYS 25 -13.500 12.288 10.372 180 HE3 LYS 25 2HE LYS 25 -14.757 11.202 9.754 181 HZ1 LYS 25 1HZ LYS 25 -12.544 10.158 9.902 182 HZ2 LYS 25 2HZ LYS 25 -11.920 11.259 8.853 183 HZ3 LYS 25 3HZ LYS 25 -13.068 10.190 8.332 184 H PHE 26 H PHE 26 -13.419 16.756 7.089 185 HA PHE 26 HA PHE 26 -13.819 19.370 8.465 186 HB2 PHE 26 1HB PHE 26 -12.068 18.765 6.063 187 HB3 PHE 26 2HB PHE 26 -12.878 20.326 6.206 188 HD1 PHE 26 HD1 PHE 26 -12.677 21.007 9.040 189 HD2 PHE 26 HD2 PHE 26 -9.705 19.194 6.460 190 HE1 PHE 26 HE1 PHE 26 -10.875 21.872 10.491 191 HE2 PHE 26 HE2 PHE 26 -7.930 20.025 7.967 192 HZ PHE 26 HZ PHE 26 -8.494 21.364 9.970 193 HA PRO 27 HA PRO 27 -17.503 18.908 6.104 194 HB2 PRO 27 1HB PRO 27 -18.363 21.495 5.748 195 HB3 PRO 27 2HB PRO 27 -18.436 20.655 7.329 196 HG2 PRO 27 1HG PRO 27 -16.411 22.579 6.308 197 HG3 PRO 27 2HG PRO 27 -17.229 22.532 7.888 198 HD2 PRO 27 1HD PRO 27 -14.715 21.575 7.505 199 HD3 PRO 27 2HD PRO 27 -15.857 20.830 8.677 200 H ARG 28 H ARG 28 -18.266 18.971 3.924 201 HA ARG 28 HA ARG 28 -16.182 19.252 1.967 202 HB2 ARG 28 1HB ARG 28 -18.127 17.671 1.799 203 HB3 ARG 28 2HB ARG 28 -19.197 19.057 1.565 204 HG2 ARG 28 1HG ARG 28 -18.785 18.079 -0.582 205 HG3 ARG 28 2HG ARG 28 -17.924 19.624 -0.529 206 HD2 ARG 28 1HD ARG 28 -15.808 18.419 -0.018 207 HD3 ARG 28 2HD ARG 28 -16.674 16.876 -0.082 208 HE ARG 28 HE ARG 28 -15.921 18.617 -2.345 209 HH11 ARG 28 1HH1 ARG 28 -17.751 15.758 -1.344 210 HH12 ARG 28 2HH1 ARG 28 -17.857 15.148 -2.972 211 HH21 ARG 28 1HH2 ARG 28 -16.106 17.774 -4.387 212 HH22 ARG 28 2HH2 ARG 28 -16.949 16.273 -4.660 213 H GLY 29 H GLY 29 -15.648 20.914 0.623 214 HA2 GLY 29 1HA GLY 29 -16.095 22.906 -0.602 215 HA3 GLY 29 2HA GLY 29 -17.436 23.283 0.500 216 H GLN 30 H GLN 30 -15.104 22.149 2.458 217 HA GLN 30 HA GLN 30 -13.515 24.643 2.733 218 HB2 GLN 30 1HB GLN 30 -15.295 23.324 4.805 219 HB3 GLN 30 2HB GLN 30 -14.016 24.444 5.227 220 HG2 GLN 30 1HG GLN 30 -15.127 26.271 4.281 221 HG3 GLN 30 2HG GLN 30 -16.290 25.230 3.431 222 HE21 GLN 30 1HE2 GLN 30 -16.721 25.884 7.456 223 HE22 GLN 30 2HE2 GLN 30 -15.140 26.056 6.701 224 H GLY 31 H GLY 31 -11.724 24.199 4.361 225 HA2 GLY 31 1HA GLY 31 -11.174 22.450 6.101 226 HA3 GLY 31 2HA GLY 31 -11.299 21.265 4.781 227 H VAL 32 H VAL 32 -10.301 23.098 2.807 228 HA VAL 32 HA VAL 32 -7.534 22.537 3.141 229 HB VAL 32 HB VAL 32 -7.197 23.899 1.155 230 HG11 VAL 32 1HG1 VAL 32 -8.547 22.575 -0.415 231 HG12 VAL 32 2HG1 VAL 32 -9.580 22.062 0.931 232 HG13 VAL 32 3HG1 VAL 32 -7.868 21.584 0.878 233 HG21 VAL 32 1HG2 VAL 32 -9.054 24.867 -0.081 234 HG22 VAL 32 2HG2 VAL 32 -8.729 25.686 1.453 235 HG23 VAL 32 3HG2 VAL 32 -10.117 24.575 1.318 236 HA PRO 33 HA PRO 33 -6.559 26.081 5.626 237 HB2 PRO 33 1HB PRO 33 -3.844 26.071 5.324 238 HB3 PRO 33 2HB PRO 33 -4.720 24.819 6.255 239 HG2 PRO 33 1HG PRO 33 -3.714 24.722 3.467 240 HG3 PRO 33 2HG PRO 33 -3.542 23.526 4.772 241 HD2 PRO 33 1HD PRO 33 -5.424 23.328 2.829 242 HD3 PRO 33 2HD PRO 33 -5.709 22.721 4.503 243 H ILE 34 H ILE 34 -5.242 28.152 5.419 244 HA ILE 34 HA ILE 34 -5.968 29.463 2.933 245 HB ILE 34 HB ILE 34 -4.243 30.391 5.277 246 HG12 ILE 34 1HG1 ILE 34 -7.102 31.045 4.503 247 HG13 ILE 34 2HG1 ILE 34 -6.636 29.899 5.761 248 HG21 ILE 34 1HG2 ILE 34 -3.748 31.611 3.114 249 HG22 ILE 34 2HG2 ILE 34 -4.421 32.651 4.368 250 HG23 ILE 34 3HG2 ILE 34 -5.460 32.084 3.034 251 HD11 ILE 34 1HD1 ILE 34 -6.130 32.875 5.764 252 HD12 ILE 34 2HD1 ILE 34 -5.489 31.735 6.974 253 HD13 ILE 34 3HD1 ILE 34 -7.237 31.966 6.802 254 H ASN 35 H ASN 35 -4.923 29.152 1.141 255 HA ASN 35 HA ASN 35 -1.988 28.600 1.298 256 HB2 ASN 35 1HB ASN 35 -3.867 27.909 -0.984 257 HB3 ASN 35 2HB ASN 35 -2.180 27.443 -0.829 258 HD21 ASN 35 1HD2 ASN 35 -4.528 24.678 0.169 259 HD22 ASN 35 2HD2 ASN 35 -4.429 25.725 -1.219 260 H THR 36 H THR 36 -1.511 30.809 1.485 261 HA THR 36 HA THR 36 -2.448 32.822 -0.308 262 HB THR 36 HB THR 36 -0.535 34.153 0.575 263 HG1 THR 36 HG1 THR 36 1.061 33.178 1.690 264 HG21 THR 36 1HG2 THR 36 -1.111 34.108 2.901 265 HG22 THR 36 2HG2 THR 36 -1.663 32.422 2.797 266 HG23 THR 36 3HG2 THR 36 -2.593 33.719 1.999 267 H ASN 37 H ASN 37 0.053 30.446 -0.620 268 HA ASN 37 HA ASN 37 1.281 31.876 -2.923 269 HB2 ASN 37 1HB ASN 37 2.152 29.444 -1.313 270 HB3 ASN 37 2HB ASN 37 3.036 30.098 -2.698 271 HD21 ASN 37 1HD2 ASN 37 3.654 31.613 0.920 272 HD22 ASN 37 2HD2 ASN 37 2.789 30.129 0.613 273 H SER 38 H SER 38 -1.393 30.776 -3.151 274 HA SER 38 HA SER 38 -0.881 28.894 -5.377 275 HB2 SER 38 1HB SER 38 -2.833 28.304 -3.118 276 HB3 SER 38 2HB SER 38 -2.546 27.301 -4.547 277 HG SER 38 HG SER 38 -0.209 27.799 -3.399 278 H SER 39 H SER 39 -2.580 28.845 -6.910 279 HA SER 39 HA SER 39 -4.212 31.245 -7.088 280 HB2 SER 39 1HB SER 39 -4.363 28.620 -8.641 281 HB3 SER 39 2HB SER 39 -4.982 30.198 -9.170 282 HG SER 39 HG SER 39 -2.805 29.427 -9.929 283 HA PRO 40 HA PRO 40 -7.744 29.677 -5.028 284 HB2 PRO 40 1HB PRO 40 -9.944 30.165 -6.586 285 HB3 PRO 40 2HB PRO 40 -9.044 31.457 -5.721 286 HG2 PRO 40 1HG PRO 40 -8.759 30.585 -8.588 287 HG3 PRO 40 2HG PRO 40 -9.025 32.234 -7.930 288 HD2 PRO 40 1HD PRO 40 -6.555 31.397 -8.559 289 HD3 PRO 40 2HD PRO 40 -6.832 32.369 -7.072 290 H ASP 41 H ASP 41 -7.336 28.753 -8.408 291 HA ASP 41 HA ASP 41 -8.873 26.382 -8.530 292 HB2 ASP 41 1HB ASP 41 -6.121 26.837 -9.748 293 HB3 ASP 41 2HB ASP 41 -7.408 25.805 -10.379 294 H ASP 42 H ASP 42 -5.821 27.160 -7.043 295 HA ASP 42 HA ASP 42 -4.965 24.351 -6.875 296 HB2 ASP 42 1HB ASP 42 -3.627 26.992 -6.304 297 HB3 ASP 42 2HB ASP 42 -2.856 25.438 -6.016 298 H GLN 43 H GLN 43 -6.818 26.295 -4.876 299 HA GLN 43 HA GLN 43 -5.593 25.875 -2.347 300 HB2 GLN 43 1HB GLN 43 -8.544 25.993 -3.013 301 HB3 GLN 43 2HB GLN 43 -7.839 26.206 -1.409 302 HG2 GLN 43 1HG GLN 43 -7.431 28.013 -3.797 303 HG3 GLN 43 2HG GLN 43 -8.444 28.361 -2.399 304 HE21 GLN 43 1HE2 GLN 43 -4.594 29.372 -2.415 305 HE22 GLN 43 2HE2 GLN 43 -5.523 28.916 -3.826 306 H ILE 44 H ILE 44 -7.289 23.682 -4.417 307 HA ILE 44 HA ILE 44 -8.307 21.780 -2.630 308 HB ILE 44 HB ILE 44 -8.764 21.885 -5.055 309 HG12 ILE 44 1HG1 ILE 44 -7.618 19.179 -4.362 310 HG13 ILE 44 2HG1 ILE 44 -9.136 19.801 -3.707 311 HG21 ILE 44 1HG2 ILE 44 -7.191 21.101 -6.724 312 HG22 ILE 44 2HG2 ILE 44 -5.996 20.704 -5.483 313 HG23 ILE 44 3HG2 ILE 44 -6.434 22.397 -5.801 314 HD11 ILE 44 1HD1 ILE 44 -9.690 18.432 -5.552 315 HD12 ILE 44 2HD1 ILE 44 -8.457 19.183 -6.574 316 HD13 ILE 44 3HD1 ILE 44 -9.914 20.110 -6.093 317 H GLY 45 H GLY 45 -7.655 19.911 -1.664 318 HA2 GLY 45 1HA GLY 45 -5.211 18.586 -2.215 319 HA3 GLY 45 2HA GLY 45 -4.930 19.705 -0.875 320 H TYR 46 H TYR 46 -4.493 17.903 0.468 321 HA TYR 46 HA TYR 46 -6.934 16.941 1.770 322 HB2 TYR 46 1HB TYR 46 -6.411 14.603 1.600 323 HB3 TYR 46 2HB TYR 46 -6.473 15.256 -0.030 324 HD1 TYR 46 HD1 TYR 46 -4.415 13.745 2.563 325 HD2 TYR 46 HD2 TYR 46 -4.333 15.584 -1.325 326 HE1 TYR 46 HE1 TYR 46 -2.153 12.767 2.115 327 HE2 TYR 46 HE2 TYR 46 -2.063 14.631 -1.739 328 HH TYR 46 HH TYR 46 -0.441 12.531 0.647 329 H TYR 47 H TYR 47 -6.271 15.725 3.817 330 HA TYR 47 HA TYR 47 -3.605 16.758 4.743 331 HB2 TYR 47 1HB TYR 47 -6.097 16.042 6.270 332 HB3 TYR 47 2HB TYR 47 -4.536 16.261 7.030 333 HD1 TYR 47 HD1 TYR 47 -6.962 18.132 4.803 334 HD2 TYR 47 HD2 TYR 47 -3.885 18.372 7.807 335 HE1 TYR 47 HE1 TYR 47 -7.382 20.549 5.052 336 HE2 TYR 47 HE2 TYR 47 -4.329 20.807 8.041 337 HH TYR 47 HH TYR 47 -6.946 22.443 6.259 338 H ARG 48 H ARG 48 -2.143 15.365 5.458 339 HA ARG 48 HA ARG 48 -2.783 12.457 5.153 340 HB2 ARG 48 1HB ARG 48 -1.108 13.647 3.620 341 HB3 ARG 48 2HB ARG 48 -0.073 13.841 5.025 342 HG2 ARG 48 1HG ARG 48 0.192 11.455 5.250 343 HG3 ARG 48 2HG ARG 48 -1.068 11.158 4.038 344 HD2 ARG 48 1HD ARG 48 0.342 12.423 2.377 345 HD3 ARG 48 2HD ARG 48 1.643 12.433 3.583 346 HE ARG 48 HE ARG 48 0.744 9.755 3.235 347 HH11 ARG 48 1HH1 ARG 48 2.473 12.221 1.378 348 HH12 ARG 48 2HH1 ARG 48 3.345 11.035 0.444 349 HH21 ARG 48 1HH2 ARG 48 1.919 8.304 2.017 350 HH22 ARG 48 2HH2 ARG 48 3.036 8.860 0.802 351 H ARG 49 H ARG 49 -2.913 11.376 7.025 352 HA ARG 49 HA ARG 49 -1.895 12.410 9.525 353 HB2 ARG 49 1HB ARG 49 -3.746 10.699 9.178 354 HB3 ARG 49 2HB ARG 49 -2.498 9.503 8.826 355 HG2 ARG 49 1HG ARG 49 -1.738 9.469 11.055 356 HG3 ARG 49 2HG ARG 49 -2.411 11.073 11.401 357 HD2 ARG 49 1HD ARG 49 -4.157 10.042 12.344 358 HD3 ARG 49 2HD ARG 49 -4.675 9.600 10.719 359 HE ARG 49 HE ARG 49 -3.386 7.873 12.725 360 HH11 ARG 49 1HH1 ARG 49 -4.650 8.100 9.445 361 HH12 ARG 49 2HH1 ARG 49 -4.747 6.360 9.272 362 HH21 ARG 49 1HH2 ARG 49 -3.528 5.637 12.369 363 HH22 ARG 49 2HH2 ARG 49 -4.116 5.042 10.829 364 H ALA 50 H ALA 50 0.099 12.170 10.458 365 HA ALA 50 HA ALA 50 2.091 10.430 9.071 366 HB1 ALA 50 1HB ALA 50 2.337 12.744 8.216 367 HB2 ALA 50 2HB ALA 50 3.741 12.256 9.197 368 HB3 ALA 50 3HB ALA 50 2.504 13.333 9.889 369 H THR 51 H THR 51 3.880 9.829 10.354 370 HA THR 51 HA THR 51 3.533 10.172 13.302 371 HB THR 51 HB THR 51 4.188 7.728 13.446 372 HG1 THR 51 HG1 THR 51 3.714 6.565 11.417 373 HG21 THR 51 1HG2 THR 51 1.996 6.827 12.985 374 HG22 THR 51 2HG2 THR 51 1.635 8.158 11.864 375 HG23 THR 51 3HG2 THR 51 1.791 8.478 13.608 376 H ARG 52 H ARG 52 5.545 9.742 14.512 377 HA ARG 52 HA ARG 52 8.027 9.342 13.013 378 HB2 ARG 52 1HB ARG 52 7.492 11.807 12.770 379 HB3 ARG 52 2HB ARG 52 7.686 11.961 14.520 380 HG2 ARG 52 1HG ARG 52 10.020 11.423 14.392 381 HG3 ARG 52 2HG ARG 52 9.861 10.840 12.720 382 HD2 ARG 52 1HD ARG 52 9.296 13.110 11.964 383 HD3 ARG 52 2HD ARG 52 9.432 13.706 13.628 384 HE ARG 52 HE ARG 52 11.877 12.470 13.038 385 HH11 ARG 52 1HH1 ARG 52 10.069 15.212 11.735 386 HH12 ARG 52 2HH1 ARG 52 11.518 16.049 11.243 387 HH21 ARG 52 1HH2 ARG 52 13.680 13.602 12.371 388 HH22 ARG 52 2HH2 ARG 52 13.515 15.154 11.598 389 H ARG 53 H ARG 53 9.435 8.246 14.250 390 HA ARG 53 HA ARG 53 9.605 8.570 17.203 391 HB2 ARG 53 1HB ARG 53 7.861 6.857 16.946 392 HB3 ARG 53 2HB ARG 53 8.830 5.992 15.763 393 HG2 ARG 53 1HG ARG 53 10.061 6.349 18.458 394 HG3 ARG 53 2HG ARG 53 8.624 5.316 18.367 395 HD2 ARG 53 1HD ARG 53 9.852 4.232 16.309 396 HD3 ARG 53 2HD ARG 53 11.300 4.948 17.016 397 HE ARG 53 HE ARG 53 11.180 3.458 18.811 398 HH11 ARG 53 1HH1 ARG 53 8.284 3.037 16.825 399 HH12 ARG 53 2HH1 ARG 53 7.830 1.573 17.652 400 HH21 ARG 53 1HH2 ARG 53 10.523 1.593 19.810 401 HH22 ARG 53 2HH2 ARG 53 9.078 0.769 19.296 402 H ILE 54 H ILE 54 11.669 8.108 17.862 403 HA ILE 54 HA ILE 54 13.502 7.159 15.726 404 HB ILE 54 HB ILE 54 14.990 8.914 15.968 405 HG12 ILE 54 1HG1 ILE 54 15.240 9.001 18.374 406 HG13 ILE 54 2HG1 ILE 54 15.058 10.604 17.696 407 HG21 ILE 54 1HG2 ILE 54 13.813 10.999 15.567 408 HG22 ILE 54 2HG2 ILE 54 12.335 10.361 16.319 409 HG23 ILE 54 3HG2 ILE 54 12.942 9.656 14.797 410 HD11 ILE 54 1HD1 ILE 54 13.890 10.454 19.765 411 HD12 ILE 54 2HD1 ILE 54 12.956 9.068 19.183 412 HD13 ILE 54 3HD1 ILE 54 12.719 10.679 18.444 413 H ARG 55 H ARG 55 15.745 6.783 16.889 414 HA ARG 55 HA ARG 55 15.129 5.237 19.385 415 HB2 ARG 55 1HB ARG 55 15.841 3.914 17.392 416 HB3 ARG 55 2HB ARG 55 17.335 4.844 17.314 417 HG2 ARG 55 1HG ARG 55 16.847 3.525 19.942 418 HG3 ARG 55 2HG ARG 55 17.034 2.420 18.569 419 HD2 ARG 55 1HD ARG 55 19.128 3.864 17.975 420 HD3 ARG 55 2HD ARG 55 19.031 4.425 19.649 421 HE ARG 55 HE ARG 55 19.692 1.703 18.681 422 HH11 ARG 55 1HH1 ARG 55 19.169 3.759 21.521 423 HH12 ARG 55 2HH1 ARG 55 20.004 2.646 22.576 424 HH21 ARG 55 1HH2 ARG 55 20.708 0.340 20.104 425 HH22 ARG 55 2HH2 ARG 55 20.832 0.752 21.793 426 H GLY 56 H GLY 56 15.684 6.526 21.114 427 HA2 GLY 56 1HA GLY 56 17.900 8.406 20.910 428 HA3 GLY 56 2HA GLY 56 16.997 7.965 22.387 429 H GLY 57 H GLY 57 19.985 8.135 22.037 430 HA2 GLY 57 1HA GLY 57 21.050 5.514 21.710 431 HA3 GLY 57 2HA GLY 57 21.844 6.859 22.549 432 H ASP 58 H ASP 58 20.009 7.306 24.614 433 HA ASP 58 HA ASP 58 20.732 5.173 26.436 434 HB2 ASP 58 1HB ASP 58 18.702 7.284 27.079 435 HB3 ASP 58 2HB ASP 58 19.980 6.608 28.096 436 H GLY 59 H GLY 59 18.293 5.402 24.189 437 HA2 GLY 59 1HA GLY 59 16.745 3.632 23.839 438 HA3 GLY 59 2HA GLY 59 16.758 3.275 25.571 439 H LYS 60 H LYS 60 16.558 6.547 25.355 440 HA LYS 60 HA LYS 60 13.922 6.596 26.297 441 HB2 LYS 60 1HB LYS 60 14.067 8.962 26.332 442 HB3 LYS 60 2HB LYS 60 15.492 8.161 26.992 443 HG2 LYS 60 1HG LYS 60 16.368 8.601 24.480 444 HG3 LYS 60 2HG LYS 60 15.255 9.987 24.701 445 HD2 LYS 60 1HD LYS 60 16.255 10.202 27.010 446 HD3 LYS 60 2HD LYS 60 17.478 9.041 26.488 447 HE2 LYS 60 1HE LYS 60 18.100 10.607 24.620 448 HE3 LYS 60 2HE LYS 60 16.955 11.797 25.289 449 HZ1 LYS 60 1HZ LYS 60 19.376 10.692 26.622 450 HZ2 LYS 60 2HZ LYS 60 18.278 11.668 27.388 451 HZ3 LYS 60 3HZ LYS 60 19.157 12.252 26.121 452 H MET 61 H MET 61 12.034 6.891 25.470 453 HA MET 61 HA MET 61 11.751 6.848 22.551 454 HB2 MET 61 1HB MET 61 10.035 6.215 24.913 455 HB3 MET 61 2HB MET 61 9.225 6.702 23.418 456 HG2 MET 61 1HG MET 61 11.257 4.463 23.554 457 HG3 MET 61 2HG MET 61 9.503 4.229 23.723 458 HE1 MET 61 1HE MET 61 11.818 5.033 19.849 459 HE2 MET 61 2HE MET 61 12.140 3.708 21.008 460 HE3 MET 61 3HE MET 61 12.420 5.397 21.477 461 H LYS 62 H LYS 62 10.673 8.237 21.303 462 HA LYS 62 HA LYS 62 10.048 10.909 22.490 463 HB2 LYS 62 1HB LYS 62 11.678 10.877 20.748 464 HB3 LYS 62 2HB LYS 62 10.633 9.913 19.704 465 HG2 LYS 62 1HG LYS 62 9.499 12.457 20.589 466 HG3 LYS 62 2HG LYS 62 10.948 12.580 19.554 467 HD2 LYS 62 1HD LYS 62 9.965 11.448 17.802 468 HD3 LYS 62 2HD LYS 62 8.751 10.687 18.848 469 HE2 LYS 62 1HE LYS 62 8.831 13.659 18.476 470 HE3 LYS 62 2HE LYS 62 8.022 12.607 17.293 471 HZ1 LYS 62 1HZ LYS 62 6.634 11.731 19.065 472 HZ2 LYS 62 2HZ LYS 62 6.475 13.376 19.031 473 HZ3 LYS 62 3HZ LYS 62 7.390 12.646 20.201 474 H ASP 63 H ASP 63 8.753 8.117 21.061 475 HA ASP 63 HA ASP 63 6.718 7.286 20.676 476 HB2 ASP 63 1HB ASP 63 6.438 8.395 23.023 477 HB3 ASP 63 2HB ASP 63 5.356 9.503 22.160 478 H LEU 64 H LEU 64 4.498 7.570 19.773 479 HA LEU 64 HA LEU 64 4.834 9.263 17.373 480 HB2 LEU 64 1HB LEU 64 2.615 7.340 18.105 481 HB3 LEU 64 2HB LEU 64 2.920 8.049 16.522 482 HG LEU 64 HG LEU 64 4.746 6.067 17.943 483 HD11 LEU 64 1HD1 LEU 64 3.905 4.442 16.292 484 HD12 LEU 64 2HD1 LEU 64 2.778 5.664 15.655 485 HD13 LEU 64 3HD1 LEU 64 2.597 5.061 17.319 486 HD21 LEU 64 1HD2 LEU 64 5.885 5.871 15.807 487 HD22 LEU 64 2HD2 LEU 64 5.914 7.564 16.346 488 HD23 LEU 64 3HD2 LEU 64 4.786 7.050 15.087 489 H SER 65 H SER 65 3.771 11.081 16.978 490 HA SER 65 HA SER 65 1.499 11.809 18.757 491 HB2 SER 65 1HB SER 65 2.085 14.157 17.900 492 HB3 SER 65 2HB SER 65 3.186 13.430 19.083 493 HG SER 65 HG SER 65 4.102 14.449 17.100 494 HA PRO 66 HA PRO 66 -0.570 11.361 14.840 495 HB2 PRO 66 1HB PRO 66 -3.096 12.166 15.477 496 HB3 PRO 66 2HB PRO 66 -2.416 10.611 16.056 497 HG2 PRO 66 1HG PRO 66 -2.605 13.240 17.499 498 HG3 PRO 66 2HG PRO 66 -3.051 11.606 18.069 499 HD2 PRO 66 1HD PRO 66 -0.678 12.812 18.680 500 HD3 PRO 66 2HD PRO 66 -0.844 11.032 18.494 501 H ARG 67 H ARG 67 0.537 12.928 13.622 502 HA ARG 67 HA ARG 67 -0.627 15.679 13.741 503 HB2 ARG 67 1HB ARG 67 1.966 14.835 12.425 504 HB3 ARG 67 2HB ARG 67 1.396 16.472 12.774 505 HG2 ARG 67 1HG ARG 67 1.402 15.623 15.256 506 HG3 ARG 67 2HG ARG 67 2.523 14.408 14.605 507 HD2 ARG 67 1HD ARG 67 4.077 15.947 15.025 508 HD3 ARG 67 2HD ARG 67 3.521 16.671 13.505 509 HE ARG 67 HE ARG 67 1.864 17.671 15.572 510 HH11 ARG 67 1HH1 ARG 67 5.275 17.971 14.644 511 HH12 ARG 67 2HH1 ARG 67 5.415 19.540 15.428 512 HH21 ARG 67 1HH2 ARG 67 2.174 19.624 16.548 513 HH22 ARG 67 2HH2 ARG 67 3.743 20.418 16.494 514 H TRP 68 H TRP 68 -1.130 16.715 11.780 515 HA TRP 68 HA TRP 68 -1.461 14.858 9.452 516 HB2 TRP 68 1HB TRP 68 -3.384 16.940 10.534 517 HB3 TRP 68 2HB TRP 68 -3.578 16.107 8.995 518 HD1 TRP 68 HD1 TRP 68 -3.456 15.256 12.794 519 HE1 TRP 68 HE1 TRP 68 -4.913 13.220 13.270 520 HE3 TRP 68 HE3 TRP 68 -4.729 14.172 7.955 521 HZ2 TRP 68 HZ2 TRP 68 -6.387 11.343 11.748 522 HZ3 TRP 68 HZ3 TRP 68 -6.253 12.245 7.526 523 HH2 TRP 68 HH2 TRP 68 -7.079 10.846 9.417 524 H TYR 69 H TYR 69 -0.509 15.653 7.639 525 HA TYR 69 HA TYR 69 0.278 18.565 7.670 526 HB2 TYR 69 1HB TYR 69 1.455 16.112 6.311 527 HB3 TYR 69 2HB TYR 69 1.916 17.763 5.894 528 HD1 TYR 69 HD1 TYR 69 1.934 15.295 8.754 529 HD2 TYR 69 HD2 TYR 69 3.560 18.940 7.143 530 HE1 TYR 69 HE1 TYR 69 3.730 15.271 10.481 531 HE2 TYR 69 HE2 TYR 69 5.357 18.901 8.868 532 HH TYR 69 HH TYR 69 5.603 16.275 11.278 533 H PHE 70 H PHE 70 -0.322 19.811 5.854 534 HA PHE 70 HA PHE 70 -2.469 18.636 4.229 535 HB2 PHE 70 1HB PHE 70 -2.809 20.875 5.199 536 HB3 PHE 70 2HB PHE 70 -1.387 21.471 4.336 537 HD1 PHE 70 HD1 PHE 70 -4.723 19.851 3.743 538 HD2 PHE 70 HD2 PHE 70 -1.629 22.378 2.154 539 HE1 PHE 70 HE1 PHE 70 -6.183 20.408 1.802 540 HE2 PHE 70 HE2 PHE 70 -3.078 22.934 0.201 541 HZ PHE 70 HZ PHE 70 -5.372 21.966 0.035 542 H TYR 71 H TYR 71 -2.344 18.216 2.141 543 HA TYR 71 HA TYR 71 0.203 18.794 0.712 544 HB2 TYR 71 1HB TYR 71 -0.946 16.237 1.666 545 HB3 TYR 71 2HB TYR 71 -0.351 16.232 -0.019 546 HD1 TYR 71 HD1 TYR 71 0.549 16.164 3.509 547 HD2 TYR 71 HD2 TYR 71 2.060 16.934 -0.443 548 HE1 TYR 71 HE1 TYR 71 2.888 15.955 4.353 549 HE2 TYR 71 HE2 TYR 71 4.372 16.744 0.406 550 HH TYR 71 HH TYR 71 5.720 16.246 2.184 551 H TYR 72 H TYR 72 -0.095 18.999 -1.497 552 HA TYR 72 HA TYR 72 -2.808 19.665 -2.274 553 HB2 TYR 72 1HB TYR 72 -0.166 19.677 -3.769 554 HB3 TYR 72 2HB TYR 72 -1.698 20.235 -4.453 555 HD1 TYR 72 HD1 TYR 72 -2.663 22.379 -3.833 556 HD2 TYR 72 HD2 TYR 72 0.850 20.931 -1.800 557 HE1 TYR 72 HE1 TYR 72 -2.329 24.617 -2.790 558 HE2 TYR 72 HE2 TYR 72 1.139 23.169 -0.737 559 HH TYR 72 HH TYR 72 -0.949 25.934 -1.530 560 H LEU 73 H LEU 73 -3.824 18.882 -4.236 561 HA LEU 73 HA LEU 73 -4.163 16.068 -4.171 562 HB2 LEU 73 1HB LEU 73 -5.903 17.562 -4.910 563 HB3 LEU 73 2HB LEU 73 -4.895 18.199 -6.195 564 HG LEU 73 HG LEU 73 -5.182 16.282 -7.531 565 HD11 LEU 73 1HD1 LEU 73 -6.469 14.313 -6.956 566 HD12 LEU 73 2HD1 LEU 73 -6.768 14.950 -5.325 567 HD13 LEU 73 3HD1 LEU 73 -5.133 14.473 -5.821 568 HD21 LEU 73 1HD2 LEU 73 -7.827 16.931 -6.300 569 HD22 LEU 73 2HD2 LEU 73 -7.533 16.274 -7.927 570 HD23 LEU 73 3HD2 LEU 73 -6.971 17.905 -7.516 571 H GLY 74 H GLY 74 -3.121 14.421 -5.046 572 HA2 GLY 74 1HA GLY 74 -1.946 13.214 -6.620 573 HA3 GLY 74 2HA GLY 74 -1.780 14.665 -7.604 574 H THR 75 H THR 75 -0.607 14.692 -4.242 575 HA THR 75 HA THR 75 2.100 15.089 -5.364 576 HB THR 75 HB THR 75 2.637 15.454 -2.835 577 HG1 THR 75 HG1 THR 75 -0.155 15.945 -2.677 578 HG21 THR 75 1HG2 THR 75 1.657 17.744 -2.874 579 HG22 THR 75 2HG2 THR 75 0.726 17.297 -4.321 580 HG23 THR 75 3HG2 THR 75 2.506 17.327 -4.376 581 H GLY 76 H GLY 76 3.886 13.864 -4.868 582 HA2 GLY 76 1HA GLY 76 4.968 12.048 -3.679 583 HA3 GLY 76 2HA GLY 76 3.402 11.219 -3.553 584 HA PRO 77 HA PRO 77 5.701 10.703 -7.750 585 HB2 PRO 77 1HB PRO 77 7.337 8.513 -7.474 586 HB3 PRO 77 2HB PRO 77 7.852 10.181 -7.105 587 HG2 PRO 77 1HG PRO 77 6.861 8.081 -5.198 588 HG3 PRO 77 2HG PRO 77 8.336 9.094 -5.092 589 HD2 PRO 77 1HD PRO 77 6.079 9.757 -3.774 590 HD3 PRO 77 2HD PRO 77 7.115 11.016 -4.534 591 H GLU 78 H GLU 78 4.870 7.951 -5.660 592 HA GLU 78 HA GLU 78 3.426 6.690 -7.960 593 HB2 GLU 78 1HB GLU 78 3.889 4.543 -6.868 594 HB3 GLU 78 2HB GLU 78 5.381 5.428 -7.197 595 HG2 GLU 78 1HG GLU 78 5.257 6.249 -4.762 596 HG3 GLU 78 2HG GLU 78 4.027 5.002 -4.523 597 H ALA 79 H ALA 79 2.471 8.772 -6.072 598 HA ALA 79 HA ALA 79 0.925 7.616 -3.989 599 HB1 ALA 79 1HB ALA 79 0.502 10.200 -5.565 600 HB2 ALA 79 2HB ALA 79 1.399 10.005 -4.047 601 HB3 ALA 79 3HB ALA 79 -0.358 9.774 -4.067 602 H GLY 80 H GLY 80 0.019 8.429 -7.355 603 HA2 GLY 80 1HA GLY 80 -1.750 7.733 -8.649 604 HA3 GLY 80 2HA GLY 80 -1.730 6.257 -7.677 605 H LEU 81 H LEU 81 -2.397 9.402 -6.219 606 HA LEU 81 HA LEU 81 -5.077 8.373 -5.543 607 HB2 LEU 81 1HB LEU 81 -3.110 10.236 -4.241 608 HB3 LEU 81 2HB LEU 81 -4.803 10.285 -3.819 609 HG LEU 81 HG LEU 81 -3.059 7.844 -3.507 610 HD11 LEU 81 1HD1 LEU 81 -4.049 9.846 -1.439 611 HD12 LEU 81 2HD1 LEU 81 -2.382 9.733 -2.050 612 HD13 LEU 81 3HD1 LEU 81 -3.077 8.396 -1.119 613 HD21 LEU 81 1HD2 LEU 81 -5.876 8.443 -2.520 614 HD22 LEU 81 2HD2 LEU 81 -4.928 7.002 -2.117 615 HD23 LEU 81 3HD2 LEU 81 -5.438 7.279 -3.794 616 HA PRO 82 HA PRO 82 -6.667 11.953 -7.851 617 HB2 PRO 82 1HB PRO 82 -9.072 10.844 -8.435 618 HB3 PRO 82 2HB PRO 82 -7.595 10.367 -9.338 619 HG2 PRO 82 1HG PRO 82 -8.950 8.989 -7.039 620 HG3 PRO 82 2HG PRO 82 -8.348 8.297 -8.568 621 HD2 PRO 82 1HD PRO 82 -6.966 8.183 -6.259 622 HD3 PRO 82 2HD PRO 82 -6.188 8.231 -7.861 623 H TYR 83 H TYR 83 -8.718 13.219 -7.328 624 HA TYR 83 HA TYR 83 -8.940 13.569 -4.503 625 HB2 TYR 83 1HB TYR 83 -9.385 15.301 -6.267 626 HB3 TYR 83 2HB TYR 83 -10.875 14.449 -6.666 627 HD1 TYR 83 HD1 TYR 83 -9.144 16.583 -4.203 628 HD2 TYR 83 HD2 TYR 83 -12.789 14.460 -5.048 629 HE1 TYR 83 HE1 TYR 83 -10.294 17.836 -2.397 630 HE2 TYR 83 HE2 TYR 83 -13.927 15.702 -3.206 631 HH TYR 83 HH TYR 83 -13.642 17.136 -1.421 632 H GLY 84 H GLY 84 -10.214 12.591 -3.031 633 HA2 GLY 84 1HA GLY 84 -12.197 11.606 -2.257 634 HA3 GLY 84 2HA GLY 84 -12.694 11.268 -3.914 635 H ALA 85 H ALA 85 -9.558 10.147 -3.832 636 HA ALA 85 HA ALA 85 -10.466 7.415 -3.667 637 HB1 ALA 85 1HB ALA 85 -7.725 8.661 -3.776 638 HB2 ALA 85 2HB ALA 85 -8.637 7.834 -5.059 639 HB3 ALA 85 3HB ALA 85 -8.013 6.900 -3.687 640 H ASN 86 H ASN 86 -10.766 6.163 -2.057 641 HA ASN 86 HA ASN 86 -10.447 7.095 0.647 642 HB2 ASN 86 1HB ASN 86 -11.274 4.470 -0.613 643 HB3 ASN 86 2HB ASN 86 -11.205 4.695 1.143 644 HD21 ASN 86 1HD2 ASN 86 -14.531 5.655 -0.655 645 HD22 ASN 86 2HD2 ASN 86 -13.362 4.462 -1.161 646 H LYS 87 H LYS 87 -8.773 6.921 1.977 647 HA LYS 87 HA LYS 87 -7.070 4.536 1.966 648 HB2 LYS 87 1HB LYS 87 -6.026 5.986 0.246 649 HB3 LYS 87 2HB LYS 87 -5.929 7.293 1.400 650 HG2 LYS 87 1HG LYS 87 -4.237 6.262 2.670 651 HG3 LYS 87 2HG LYS 87 -4.594 4.646 2.010 652 HD2 LYS 87 1HD LYS 87 -3.496 6.924 0.366 653 HD3 LYS 87 2HD LYS 87 -2.466 5.747 1.183 654 HE2 LYS 87 1HE LYS 87 -3.527 3.902 -0.105 655 HE3 LYS 87 2HE LYS 87 -4.586 5.061 -0.921 656 HZ1 LYS 87 1HZ LYS 87 -2.698 4.459 -2.305 657 HZ2 LYS 87 2HZ LYS 87 -1.628 4.999 -1.175 658 HZ3 LYS 87 3HZ LYS 87 -2.628 6.064 -1.942 659 H ASP 88 H ASP 88 -5.908 4.423 4.001 660 HA ASP 88 HA ASP 88 -7.357 5.647 6.164 661 HB2 ASP 88 1HB ASP 88 -6.226 3.466 6.431 662 HB3 ASP 88 2HB ASP 88 -4.656 4.250 6.179 663 H GLY 89 H GLY 89 -7.014 7.471 7.276 664 HA2 GLY 89 1HA GLY 89 -5.928 9.347 8.069 665 HA3 GLY 89 2HA GLY 89 -4.405 8.673 7.473 666 H ILE 90 H ILE 90 -6.999 9.037 5.183 667 HA ILE 90 HA ILE 90 -5.729 11.549 4.189 668 HB ILE 90 HB ILE 90 -6.827 9.259 2.478 669 HG12 ILE 90 1HG1 ILE 90 -4.672 8.659 3.484 670 HG13 ILE 90 2HG1 ILE 90 -4.550 8.871 1.745 671 HG21 ILE 90 1HG2 ILE 90 -5.778 10.665 0.595 672 HG22 ILE 90 2HG2 ILE 90 -5.642 11.989 1.780 673 HG23 ILE 90 3HG2 ILE 90 -7.235 11.343 1.345 674 HD11 ILE 90 1HD1 ILE 90 -3.299 10.801 1.913 675 HD12 ILE 90 2HD1 ILE 90 -2.676 9.758 3.209 676 HD13 ILE 90 3HD1 ILE 90 -3.780 11.105 3.600 677 H ILE 91 H ILE 91 -7.061 13.155 4.104 678 HA ILE 91 HA ILE 91 -9.957 12.587 3.570 679 HB ILE 91 HB ILE 91 -10.448 14.689 4.937 680 HG12 ILE 91 1HG1 ILE 91 -8.145 14.186 6.710 681 HG13 ILE 91 2HG1 ILE 91 -7.690 14.856 5.155 682 HG21 ILE 91 1HG2 ILE 91 -10.690 13.459 7.004 683 HG22 ILE 91 2HG2 ILE 91 -9.470 12.263 6.496 684 HG23 ILE 91 3HG2 ILE 91 -11.028 12.370 5.644 685 HD11 ILE 91 1HD1 ILE 91 -8.110 16.610 6.811 686 HD12 ILE 91 2HD1 ILE 91 -9.791 16.061 6.961 687 HD13 ILE 91 3HD1 ILE 91 -9.194 16.722 5.414 688 H TRP 92 H TRP 92 -10.487 13.359 1.678 689 HA TRP 92 HA TRP 92 -8.856 15.409 0.405 690 HB2 TRP 92 1HB TRP 92 -11.364 13.939 -0.469 691 HB3 TRP 92 2HB TRP 92 -10.403 15.019 -1.492 692 HD1 TRP 92 HD1 TRP 92 -10.461 11.515 -0.128 693 HE1 TRP 92 HE1 TRP 92 -8.482 10.165 -0.958 694 HE3 TRP 92 HE3 TRP 92 -7.845 15.375 -2.224 695 HZ2 TRP 92 HZ2 TRP 92 -6.029 10.706 -2.277 696 HZ3 TRP 92 HZ3 TRP 92 -5.627 14.881 -3.256 697 HH2 TRP 92 HH2 TRP 92 -4.732 12.556 -3.287 698 H VAL 93 H VAL 93 -9.213 17.508 0.268 699 HA VAL 93 HA VAL 93 -11.921 18.555 0.936 700 HB VAL 93 HB VAL 93 -10.637 20.405 2.240 701 HG11 VAL 93 1HG1 VAL 93 -10.684 19.080 4.332 702 HG12 VAL 93 2HG1 VAL 93 -10.857 17.592 3.379 703 HG13 VAL 93 3HG1 VAL 93 -12.135 18.832 3.341 704 HG21 VAL 93 1HG2 VAL 93 -8.509 19.863 3.205 705 HG22 VAL 93 2HG2 VAL 93 -8.338 19.507 1.476 706 HG23 VAL 93 3HG2 VAL 93 -8.581 18.182 2.634 707 H ALA 94 H ALA 94 -12.371 20.593 0.043 708 HA ALA 94 HA ALA 94 -10.426 21.915 -1.691 709 HB1 ALA 94 1HB ALA 94 -11.231 20.036 -3.156 710 HB2 ALA 94 2HB ALA 94 -11.780 21.618 -3.750 711 HB3 ALA 94 3HB ALA 94 -12.907 20.559 -2.875 712 H THR 95 H THR 95 -11.548 23.883 -2.595 713 HA THR 95 HA THR 95 -13.917 24.666 -0.961 714 HB THR 95 HB THR 95 -11.769 25.810 -0.197 715 HG1 THR 95 HG1 THR 95 -12.758 27.964 -0.460 716 HG21 THR 95 1HG2 THR 95 -10.762 27.506 -1.590 717 HG22 THR 95 2HG2 THR 95 -11.939 27.222 -2.889 718 HG23 THR 95 3HG2 THR 95 -10.735 25.977 -2.488 719 H GLU 96 H GLU 96 -14.917 26.713 -2.196 720 HA GLU 96 HA GLU 96 -15.728 25.696 -4.743 721 HB2 GLU 96 1HB GLU 96 -17.079 27.161 -3.232 722 HB3 GLU 96 2HB GLU 96 -16.021 28.518 -3.650 723 HG2 GLU 96 1HG GLU 96 -16.732 28.440 -5.955 724 HG3 GLU 96 2HG GLU 96 -17.593 26.913 -5.687 725 H GLY 97 H GLY 97 -14.986 26.043 -6.750 726 HA2 GLY 97 1HA GLY 97 -13.939 27.238 -8.481 727 HA3 GLY 97 2HA GLY 97 -13.161 28.290 -7.292 728 H ALA 98 H ALA 98 -12.577 25.391 -5.975 729 HA ALA 98 HA ALA 98 -9.883 25.320 -7.058 730 HB1 ALA 98 1HB ALA 98 -10.588 24.918 -4.657 731 HB2 ALA 98 2HB ALA 98 -9.460 23.748 -5.361 732 HB3 ALA 98 3HB ALA 98 -11.187 23.332 -5.201 733 H LEU 99 H LEU 99 -9.008 23.812 -8.468 734 HA LEU 99 HA LEU 99 -11.012 22.283 -10.013 735 HB2 LEU 99 1HB LEU 99 -8.088 22.892 -10.488 736 HB3 LEU 99 2HB LEU 99 -9.081 21.913 -11.549 737 HG LEU 99 HG LEU 99 -9.399 24.873 -11.016 738 HD11 LEU 99 1HD1 LEU 99 -8.775 24.981 -13.406 739 HD12 LEU 99 2HD1 LEU 99 -8.619 23.202 -13.437 740 HD13 LEU 99 3HD1 LEU 99 -7.519 24.190 -12.438 741 HD21 LEU 99 1HD2 LEU 99 -11.130 24.796 -12.811 742 HD22 LEU 99 2HD2 LEU 99 -11.638 23.958 -11.336 743 HD23 LEU 99 3HD2 LEU 99 -11.088 23.017 -12.750 744 H ASN 100 H ASN 100 -11.168 20.189 -10.185 745 HA ASN 100 HA ASN 100 -9.719 18.484 -8.297 746 HB2 ASN 100 1HB ASN 100 -11.942 17.987 -10.304 747 HB3 ASN 100 2HB ASN 100 -11.154 16.665 -9.431 748 HD21 ASN 100 1HD2 ASN 100 -14.092 17.412 -7.469 749 HD22 ASN 100 2HD2 ASN 100 -13.691 16.730 -9.026 750 H THR 101 H THR 101 -7.713 19.359 -9.733 751 HA THR 101 HA THR 101 -7.054 17.061 -11.525 752 HB THR 101 HB THR 101 -7.582 19.418 -12.668 753 HG1 THR 101 HG1 THR 101 -6.108 18.847 -14.282 754 HG21 THR 101 1HG2 THR 101 -5.639 20.825 -12.962 755 HG22 THR 101 2HG2 THR 101 -4.639 19.728 -11.973 756 HG23 THR 101 3HG2 THR 101 -5.962 20.670 -11.222 757 HA PRO 102 HA PRO 102 -3.578 16.848 -8.835 758 HB2 PRO 102 1HB PRO 102 -1.554 16.019 -10.483 759 HB3 PRO 102 2HB PRO 102 -2.861 14.923 -9.919 760 HG2 PRO 102 1HG PRO 102 -2.613 16.444 -12.506 761 HG3 PRO 102 2HG PRO 102 -3.010 14.713 -12.246 762 HD2 PRO 102 1HD PRO 102 -4.934 16.520 -12.686 763 HD3 PRO 102 2HD PRO 102 -5.167 15.212 -11.478 764 H LYS 103 H LYS 103 -1.805 17.994 -8.107 765 HA LYS 103 HA LYS 103 -0.427 19.845 -9.926 766 HB2 LYS 103 1HB LYS 103 -0.875 21.793 -8.354 767 HB3 LYS 103 2HB LYS 103 -2.137 21.307 -9.463 768 HG2 LYS 103 1HG LYS 103 -3.098 19.943 -7.415 769 HG3 LYS 103 2HG LYS 103 -2.049 21.005 -6.465 770 HD2 LYS 103 1HD LYS 103 -4.139 22.109 -6.554 771 HD3 LYS 103 2HD LYS 103 -3.113 22.934 -7.732 772 HE2 LYS 103 1HE LYS 103 -4.140 21.333 -9.499 773 HE3 LYS 103 2HE LYS 103 -5.346 20.938 -8.270 774 HZ1 LYS 103 1HZ LYS 103 -6.072 23.189 -8.268 775 HZ2 LYS 103 2HZ LYS 103 -5.973 22.732 -9.848 776 HZ3 LYS 103 3HZ LYS 103 -4.800 23.697 -9.194 777 H ASP 104 H ASP 104 0.725 17.792 -9.057 778 HA ASP 104 HA ASP 104 1.917 17.724 -6.504 779 HB2 ASP 104 1HB ASP 104 3.545 16.265 -7.531 780 HB3 ASP 104 2HB ASP 104 1.974 15.934 -8.275 781 H HIS 105 H HIS 105 2.650 19.611 -9.359 782 HA HIS 105 HA HIS 105 5.301 20.378 -8.791 783 HB2 HIS 105 1HB HIS 105 4.970 22.149 -10.385 784 HB3 HIS 105 2HB HIS 105 4.123 20.709 -10.961 785 HD1 HIS 105 HD1 HIS 105 1.538 20.856 -11.240 786 HD2 HIS 105 HD2 HIS 105 3.260 24.289 -9.547 787 HE1 HIS 105 HE1 HIS 105 -0.282 22.654 -11.169 788 H ILE 106 H ILE 106 2.434 21.376 -7.098 789 HA ILE 106 HA ILE 106 3.646 23.912 -6.234 790 HB ILE 106 HB ILE 106 1.190 22.450 -5.134 791 HG12 ILE 106 1HG1 ILE 106 1.424 24.726 -7.148 792 HG13 ILE 106 2HG1 ILE 106 1.027 23.053 -7.547 793 HG21 ILE 106 1HG2 ILE 106 0.621 24.708 -4.180 794 HG22 ILE 106 2HG2 ILE 106 2.155 25.356 -4.798 795 HG23 ILE 106 3HG2 ILE 106 2.148 24.111 -3.529 796 HD11 ILE 106 1HD1 ILE 106 -0.994 24.221 -7.546 797 HD12 ILE 106 2HD1 ILE 106 -0.630 25.027 -6.004 798 HD13 ILE 106 3HD1 ILE 106 -0.979 23.278 -6.034 799 H GLY 107 H GLY 107 3.405 20.552 -5.170 800 HA2 GLY 107 1HA GLY 107 4.280 21.049 -2.461 801 HA3 GLY 107 2HA GLY 107 4.167 19.487 -3.276 802 H THR 108 H THR 108 6.078 21.824 -4.932 803 HA THR 108 HA THR 108 8.463 20.205 -4.458 804 HB THR 108 HB THR 108 7.775 21.088 -6.728 805 HG1 THR 108 HG1 THR 108 10.312 21.874 -5.698 806 HG21 THR 108 1HG2 THR 108 8.180 23.379 -7.337 807 HG22 THR 108 2HG2 THR 108 8.846 23.766 -5.739 808 HG23 THR 108 3HG2 THR 108 7.112 23.409 -5.923 809 H ARG 109 H ARG 109 7.276 22.170 -2.300 810 HA ARG 109 HA ARG 109 9.181 24.266 -1.949 811 HB2 ARG 109 1HB ARG 109 7.041 24.026 -0.617 812 HB3 ARG 109 2HB ARG 109 7.798 22.688 0.262 813 HG2 ARG 109 1HG ARG 109 9.610 24.262 1.013 814 HG3 ARG 109 2HG ARG 109 8.769 25.580 0.194 815 HD2 ARG 109 1HD ARG 109 8.268 25.670 2.553 816 HD3 ARG 109 2HD ARG 109 6.811 25.215 1.671 817 HE ARG 109 HE ARG 109 6.802 23.149 2.712 818 HH11 ARG 109 1HH1 ARG 109 9.921 24.696 3.471 819 HH12 ARG 109 2HH1 ARG 109 10.262 23.521 4.706 820 HH21 ARG 109 1HH2 ARG 109 7.314 21.773 4.298 821 HH22 ARG 109 2HH2 ARG 109 8.837 21.889 5.157 822 H ASN 110 H ASN 110 11.259 24.263 -1.320 823 HA ASN 110 HA ASN 110 12.442 21.626 -0.577 824 HB2 ASN 110 1HB ASN 110 13.411 24.057 -2.012 825 HB3 ASN 110 2HB ASN 110 14.570 23.289 -0.923 826 HD21 ASN 110 1HD2 ASN 110 15.307 21.582 -3.975 827 HD22 ASN 110 2HD2 ASN 110 15.652 23.053 -3.098 828 HA PRO 111 HA PRO 111 12.274 23.474 3.427 829 HB2 PRO 111 1HB PRO 111 13.708 21.675 4.903 830 HB3 PRO 111 2HB PRO 111 12.064 21.322 4.277 831 HG2 PRO 111 1HG PRO 111 14.729 20.587 3.078 832 HG3 PRO 111 2HG PRO 111 13.323 19.530 3.428 833 HD2 PRO 111 1HD PRO 111 13.723 20.529 0.963 834 HD3 PRO 111 2HD PRO 111 12.066 20.423 1.649 835 H ALA 112 H ALA 112 15.264 22.861 1.739 836 HA ALA 112 HA ALA 112 16.949 24.245 3.675 837 HB1 ALA 112 1HB ALA 112 17.841 22.489 2.157 838 HB2 ALA 112 2HB ALA 112 18.662 24.050 1.914 839 HB3 ALA 112 3HB ALA 112 17.430 23.510 0.750 840 H ASN 113 H ASN 113 14.864 25.104 1.031 841 HA ASN 113 HA ASN 113 16.193 27.736 0.689 842 HB2 ASN 113 1HB ASN 113 14.019 26.342 -0.916 843 HB3 ASN 113 2HB ASN 113 14.697 27.933 -1.286 844 HD21 ASN 113 1HD2 ASN 113 16.387 25.227 -3.266 845 HD22 ASN 113 2HD2 ASN 113 14.706 25.586 -2.949 846 H ASN 114 H ASN 114 13.301 26.312 2.065 847 HA ASN 114 HA ASN 114 12.469 28.952 3.016 848 HB2 ASN 114 1HB ASN 114 11.401 29.020 0.862 849 HB3 ASN 114 2HB ASN 114 10.763 27.374 1.066 850 HD21 ASN 114 1HD2 ASN 114 7.944 28.404 2.743 851 HD22 ASN 114 2HD2 ASN 114 8.774 27.257 1.721 852 H ALA 115 H ALA 115 11.000 28.904 4.702 853 HA ALA 115 HA ALA 115 10.783 26.282 6.061 854 HB1 ALA 115 1HB ALA 115 10.175 29.109 7.030 855 HB2 ALA 115 2HB ALA 115 11.695 28.221 7.300 856 HB3 ALA 115 3HB ALA 115 10.181 27.641 8.033 857 H ALA 116 H ALA 116 8.802 25.561 6.985 858 HA ALA 116 HA ALA 116 6.514 25.826 5.280 859 HB1 ALA 116 1HB ALA 116 7.056 23.736 6.515 860 HB2 ALA 116 2HB ALA 116 5.420 24.321 6.876 861 HB3 ALA 116 3HB ALA 116 6.730 24.575 8.052 862 H ILE 117 H ILE 117 4.562 26.776 5.618 863 HA ILE 117 HA ILE 117 4.566 29.201 7.281 864 HB ILE 117 HB ILE 117 2.471 28.019 5.409 865 HG12 ILE 117 1HG1 ILE 117 4.184 30.359 4.651 866 HG13 ILE 117 2HG1 ILE 117 4.871 28.745 4.521 867 HG21 ILE 117 1HG2 ILE 117 2.761 30.846 6.534 868 HG22 ILE 117 2HG2 ILE 117 1.466 29.686 6.917 869 HG23 ILE 117 3HG2 ILE 117 1.588 30.363 5.289 870 HD11 ILE 117 1HD1 ILE 117 3.922 29.383 2.404 871 HD12 ILE 117 2HD1 ILE 117 2.345 29.698 3.164 872 HD13 ILE 117 3HD1 ILE 117 2.989 28.036 3.096 873 H VAL 118 H VAL 118 3.246 29.491 9.157 874 HA VAL 118 HA VAL 118 2.212 27.200 10.539 875 HB VAL 118 HB VAL 118 1.507 30.168 10.845 876 HG11 VAL 118 1HG1 VAL 118 0.967 27.821 12.721 877 HG12 VAL 118 2HG1 VAL 118 -0.252 28.778 11.847 878 HG13 VAL 118 3HG1 VAL 118 0.723 29.532 13.121 879 HG21 VAL 118 1HG2 VAL 118 3.501 28.385 12.312 880 HG22 VAL 118 2HG2 VAL 118 3.063 30.034 12.812 881 HG23 VAL 118 3HG2 VAL 118 3.882 29.768 11.260 882 H LEU 119 H LEU 119 0.425 26.075 10.195 883 HA LEU 119 HA LEU 119 -1.246 26.658 7.951 884 HB2 LEU 119 1HB LEU 119 -0.617 24.422 8.951 885 HB3 LEU 119 2HB LEU 119 -1.797 24.716 10.219 886 HG LEU 119 HG LEU 119 -2.654 24.850 7.338 887 HD11 LEU 119 1HD1 LEU 119 -3.041 22.439 7.313 888 HD12 LEU 119 2HD1 LEU 119 -2.287 22.284 8.920 889 HD13 LEU 119 3HD1 LEU 119 -1.318 22.796 7.523 890 HD21 LEU 119 1HD2 LEU 119 -4.739 23.790 8.360 891 HD22 LEU 119 2HD2 LEU 119 -4.374 25.428 8.922 892 HD23 LEU 119 3HD2 LEU 119 -3.986 24.038 9.949 893 H GLN 120 H GLN 120 -3.067 27.771 7.759 894 HA GLN 120 HA GLN 120 -4.612 28.578 10.195 895 HB2 GLN 120 1HB GLN 120 -3.790 30.282 7.819 896 HB3 GLN 120 2HB GLN 120 -4.973 30.772 9.037 897 HG2 GLN 120 1HG GLN 120 -3.376 31.084 10.668 898 HG3 GLN 120 2HG GLN 120 -2.232 29.980 9.906 899 HE21 GLN 120 1HE2 GLN 120 -0.757 32.386 7.836 900 HE22 GLN 120 2HE2 GLN 120 -0.928 30.683 8.209 901 H LEU 121 H LEU 121 -6.871 28.988 9.657 902 HA LEU 121 HA LEU 121 -7.697 27.623 7.125 903 HB2 LEU 121 1HB LEU 121 -8.871 27.741 9.891 904 HB3 LEU 121 2HB LEU 121 -9.952 27.598 8.519 905 HG LEU 121 HG LEU 121 -7.777 25.606 9.214 906 HD11 LEU 121 1HD1 LEU 121 -9.792 24.207 9.813 907 HD12 LEU 121 2HD1 LEU 121 -10.790 25.660 9.610 908 HD13 LEU 121 3HD1 LEU 121 -9.537 25.615 10.867 909 HD21 LEU 121 1HD2 LEU 121 -10.000 25.531 7.115 910 HD22 LEU 121 2HD2 LEU 121 -8.997 24.136 7.581 911 HD23 LEU 121 3HD2 LEU 121 -8.253 25.543 6.806 912 HA PRO 122 HA PRO 122 -9.351 31.493 5.956 913 HB2 PRO 122 1HB PRO 122 -11.304 30.815 4.187 914 HB3 PRO 122 2HB PRO 122 -9.557 30.550 3.831 915 HG2 PRO 122 1HG PRO 122 -11.589 28.617 4.913 916 HG3 PRO 122 2HG PRO 122 -10.484 28.425 3.513 917 HD2 PRO 122 1HD PRO 122 -9.878 27.426 5.933 918 HD3 PRO 122 2HD PRO 122 -8.611 28.148 4.884 919 H GLN 123 H GLN 123 -11.348 32.800 5.839 920 HA GLN 123 HA GLN 123 -12.798 32.762 8.239 921 HB2 GLN 123 1HB GLN 123 -12.529 34.705 6.693 922 HB3 GLN 123 2HB GLN 123 -13.612 33.918 5.541 923 HG2 GLN 123 1HG GLN 123 -15.455 34.043 7.169 924 HG3 GLN 123 2HG GLN 123 -14.373 34.818 8.340 925 HE21 GLN 123 1HE2 GLN 123 -16.314 37.042 5.667 926 HE22 GLN 123 2HE2 GLN 123 -16.697 35.379 6.039 927 H GLY 124 H GLY 124 -14.552 31.713 8.949 928 HA2 GLY 124 1HA GLY 124 -16.676 30.695 8.701 929 HA3 GLY 124 2HA GLY 124 -16.334 30.381 6.996 930 H THR 125 H THR 125 -13.513 29.327 8.003 931 HA THR 125 HA THR 125 -14.632 26.647 8.724 932 HB THR 125 HB THR 125 -11.870 27.128 7.579 933 HG1 THR 125 HG1 THR 125 -13.466 27.982 6.159 934 HG21 THR 125 1HG2 THR 125 -13.792 24.756 7.486 935 HG22 THR 125 2HG2 THR 125 -12.416 24.886 8.590 936 HG23 THR 125 3HG2 THR 125 -12.140 24.796 6.841 937 H THR 126 H THR 126 -14.202 25.775 10.610 938 HA THR 126 HA THR 126 -11.948 26.872 12.230 939 HB THR 126 HB THR 126 -13.414 26.143 14.212 940 HG1 THR 126 HG1 THR 126 -15.654 26.091 13.713 941 HG21 THR 126 1HG2 THR 126 -14.665 28.234 14.225 942 HG22 THR 126 2HG2 THR 126 -14.437 28.412 12.469 943 HG23 THR 126 3HG2 THR 126 -13.035 28.503 13.566 944 H LEU 127 H LEU 127 -10.859 25.381 13.539 945 HA LEU 127 HA LEU 127 -10.627 22.743 12.367 946 HB2 LEU 127 1HB LEU 127 -9.575 23.810 14.988 947 HB3 LEU 127 2HB LEU 127 -9.093 22.297 14.271 948 HG LEU 127 HG LEU 127 -8.563 25.003 13.010 949 HD11 LEU 127 1HD1 LEU 127 -6.248 24.686 13.769 950 HD12 LEU 127 2HD1 LEU 127 -6.719 23.186 14.605 951 HD13 LEU 127 3HD1 LEU 127 -7.367 24.751 15.149 952 HD21 LEU 127 1HD2 LEU 127 -7.011 23.751 11.588 953 HD22 LEU 127 2HD2 LEU 127 -8.645 23.098 11.424 954 HD23 LEU 127 3HD2 LEU 127 -7.447 22.233 12.409 955 HA PRO 128 HA PRO 128 -13.687 20.894 14.910 956 HB2 PRO 128 1HB PRO 128 -12.972 18.261 14.956 957 HB3 PRO 128 2HB PRO 128 -13.586 19.070 13.483 958 HG2 PRO 128 1HG PRO 128 -10.793 18.422 14.268 959 HG3 PRO 128 2HG PRO 128 -11.592 18.256 12.682 960 HD2 PRO 128 1HD PRO 128 -9.929 20.346 13.405 961 HD3 PRO 128 2HD PRO 128 -11.200 20.482 12.158 962 H LYS 129 H LYS 129 -13.997 19.685 16.975 963 HA LYS 129 HA LYS 129 -12.390 20.848 18.993 964 HB2 LYS 129 1HB LYS 129 -14.780 19.983 19.141 965 HB3 LYS 129 2HB LYS 129 -14.112 18.358 19.311 966 HG2 LYS 129 1HG LYS 129 -13.148 20.511 21.181 967 HG3 LYS 129 2HG LYS 129 -14.782 19.868 21.406 968 HD2 LYS 129 1HD LYS 129 -13.861 17.570 21.553 969 HD3 LYS 129 2HD LYS 129 -12.220 18.228 21.388 970 HE2 LYS 129 1HE LYS 129 -12.566 19.589 23.434 971 HE3 LYS 129 2HE LYS 129 -14.194 18.898 23.607 972 HZ1 LYS 129 1HZ LYS 129 -12.581 17.745 24.990 973 HZ2 LYS 129 2HZ LYS 129 -11.663 17.352 23.677 974 HZ3 LYS 129 3HZ LYS 129 -13.176 16.716 23.846 975 H GLY 130 H GLY 130 -10.482 20.322 19.851 976 HA2 GLY 130 1HA GLY 130 -8.919 18.803 20.774 977 HA3 GLY 130 2HA GLY 130 -9.619 17.493 19.822 978 H PHE 131 H PHE 131 -8.965 20.385 18.007 979 HA PHE 131 HA PHE 131 -6.351 19.255 17.125 980 HB2 PHE 131 1HB PHE 131 -8.780 20.051 15.603 981 HB3 PHE 131 2HB PHE 131 -7.241 20.623 14.962 982 HD1 PHE 131 HD1 PHE 131 -5.535 19.094 14.191 983 HD2 PHE 131 HD2 PHE 131 -9.329 17.656 15.584 984 HE1 PHE 131 HE1 PHE 131 -5.094 16.915 13.089 985 HE2 PHE 131 HE2 PHE 131 -8.904 15.458 14.482 986 HZ PHE 131 HZ PHE 131 -6.769 15.084 13.252 987 H TYR 132 H TYR 132 -4.782 20.695 16.588 988 HA TYR 132 HA TYR 132 -5.350 23.579 16.563 989 HB2 TYR 132 1HB TYR 132 -3.668 24.171 18.190 990 HB3 TYR 132 2HB TYR 132 -4.891 23.151 18.947 991 HD1 TYR 132 HD1 TYR 132 -1.345 23.505 18.111 992 HD2 TYR 132 HD2 TYR 132 -4.336 20.737 19.513 993 HE1 TYR 132 HE1 TYR 132 0.439 22.031 19.037 994 HE2 TYR 132 HE2 TYR 132 -2.545 19.276 20.435 995 HH TYR 132 HH TYR 132 -0.312 19.020 20.809 996 H ALA 133 H ALA 133 -3.367 24.769 15.750 997 HA ALA 133 HA ALA 133 -1.964 22.997 13.820 998 HB1 ALA 133 1HB ALA 133 -3.241 24.881 12.858 999 HB2 ALA 133 2HB ALA 133 -1.496 25.098 12.591 1000 HB3 ALA 133 3HB ALA 133 -2.321 26.024 13.858 1001 H GLU 134 H GLU 134 0.260 23.024 13.571 1002 HA GLU 134 HA GLU 134 1.798 23.616 15.978 1003 HB2 GLU 134 1HB GLU 134 2.411 21.749 14.526 1004 HB3 GLU 134 2HB GLU 134 2.543 22.822 13.152 1005 HG2 GLU 134 1HG GLU 134 4.758 22.426 13.699 1006 HG3 GLU 134 2HG GLU 134 4.458 23.985 14.474 1007 H GLY 135 H GLY 135 2.950 25.444 16.428 1008 HA2 GLY 135 1HA GLY 135 4.013 27.496 15.963 1009 HA3 GLY 135 2HA GLY 135 3.398 27.446 14.302 1010 H SER 136 H SER 136 0.821 26.613 16.091 1011 HA SER 136 HA SER 136 -0.020 29.407 16.739 1012 HB2 SER 136 1HB SER 136 -0.999 28.500 14.557 1013 HB3 SER 136 2HB SER 136 -1.824 27.277 15.542 1014 HG SER 136 HG SER 136 -2.946 29.372 15.024 1015 H ARG 137 H ARG 137 -2.355 28.955 17.977 1016 HA ARG 137 HA ARG 137 -1.822 26.828 20.013 1017 HB2 ARG 137 1HB ARG 137 -1.420 29.548 20.421 1018 HB3 ARG 137 2HB ARG 137 -3.073 29.330 20.996 1019 HG2 ARG 137 1HG ARG 137 -0.725 27.651 21.957 1020 HG3 ARG 137 2HG ARG 137 -1.249 29.152 22.739 1021 HD2 ARG 137 1HD ARG 137 -3.534 28.137 23.014 1022 HD3 ARG 137 2HD ARG 137 -2.865 26.604 22.425 1023 HE ARG 137 HE ARG 137 -1.247 27.570 24.559 1024 HH11 ARG 137 1HH1 ARG 137 -4.453 26.151 24.058 1025 HH12 ARG 137 2HH1 ARG 137 -4.506 25.508 25.684 1026 HH21 ARG 137 1HH2 ARG 137 -1.393 26.698 26.597 1027 HH22 ARG 137 2HH2 ARG 137 -2.808 25.806 27.084 1028 H GLY 138 H GLY 138 -3.624 25.693 20.539 1029 HA2 GLY 138 1HA GLY 138 -6.238 26.702 19.488 1030 HA3 GLY 138 2HA GLY 138 -5.805 24.984 19.607 1031 H GLY 139 H GLY 139 -8.127 25.926 20.836 1032 HA2 GLY 139 1HA GLY 139 -8.769 25.100 23.097 1033 HA3 GLY 139 2HA GLY 139 -7.355 25.981 23.731 1034 H SER 140 H SER 140 -8.617 27.394 25.003 1035 HA SER 140 HA SER 140 -9.839 29.251 25.504 1036 HB2 SER 140 1HB SER 140 -8.218 30.278 23.840 1037 HB3 SER 140 2HB SER 140 -9.479 30.079 22.603 1038 HG SER 140 HG SER 140 -10.859 31.310 23.962 Start of MODEL 36 1 H1 GLY 1 1H GLY 1 10.071 -5.530 -2.024 2 H2 GLY 1 2H GLY 1 10.396 -3.990 -2.521 3 H3 GLY 1 3H GLY 1 9.077 -4.784 -3.109 4 HA2 GLY 1 1HA GLY 1 8.053 -4.825 -0.945 5 HA3 GLY 1 2HA GLY 1 9.478 -3.975 -0.308 6 H ALA 2 H ALA 2 7.257 -2.610 0.227 7 HA ALA 2 HA ALA 2 6.339 -0.937 -1.931 8 HB1 ALA 2 1HB ALA 2 5.029 -1.290 0.155 9 HB2 ALA 2 2HB ALA 2 5.363 0.437 -0.113 10 HB3 ALA 2 3HB ALA 2 6.306 -0.470 1.092 11 H MET 3 H MET 3 6.977 1.149 -2.498 12 HA MET 3 HA MET 3 9.429 2.261 -1.234 13 HB2 MET 3 1HB MET 3 9.017 1.824 -4.212 14 HB3 MET 3 2HB MET 3 10.336 2.756 -3.482 15 HG2 MET 3 1HG MET 3 11.066 0.701 -2.266 16 HG3 MET 3 2HG MET 3 9.824 -0.211 -3.131 17 HE1 MET 3 1HE MET 3 13.371 1.318 -3.177 18 HE2 MET 3 2HE MET 3 12.592 2.552 -4.198 19 HE3 MET 3 3HE MET 3 13.774 1.429 -4.907 20 H GLY 4 H GLY 4 9.146 4.105 -3.755 21 HA2 GLY 4 1HA GLY 4 7.865 5.918 -4.387 22 HA3 GLY 4 2HA GLY 4 6.609 5.418 -3.250 23 H LEU 5 H LEU 5 9.873 5.883 -2.241 24 HA LEU 5 HA LEU 5 9.078 7.919 -0.346 25 HB2 LEU 5 1HB LEU 5 11.845 7.064 -1.243 26 HB3 LEU 5 2HB LEU 5 11.520 8.175 0.059 27 HG LEU 5 HG LEU 5 12.143 6.181 1.077 28 HD11 LEU 5 1HD1 LEU 5 10.232 5.530 2.410 29 HD12 LEU 5 2HD1 LEU 5 9.104 6.143 1.181 30 HD13 LEU 5 3HD1 LEU 5 10.145 7.273 2.083 31 HD21 LEU 5 1HD2 LEU 5 11.300 3.979 0.658 32 HD22 LEU 5 2HD2 LEU 5 11.794 4.672 -0.901 33 HD23 LEU 5 3HD2 LEU 5 10.068 4.591 -0.463 34 HA PRO 6 HA PRO 6 9.579 11.059 -3.437 35 HB2 PRO 6 1HB PRO 6 9.283 13.309 -1.966 36 HB3 PRO 6 2HB PRO 6 7.906 12.192 -2.235 37 HG2 PRO 6 1HG PRO 6 9.750 12.401 0.137 38 HG3 PRO 6 2HG PRO 6 7.959 12.341 0.105 39 HD2 PRO 6 1HD PRO 6 9.523 10.128 0.557 40 HD3 PRO 6 2HD PRO 6 7.932 10.038 -0.279 41 H ASN 7 H ASN 7 11.153 12.628 -4.145 42 HA ASN 7 HA ASN 7 13.803 12.292 -3.036 43 HB2 ASN 7 1HB ASN 7 12.663 14.309 -5.018 44 HB3 ASN 7 2HB ASN 7 14.372 14.227 -4.570 45 HD21 ASN 7 1HD2 ASN 7 13.457 12.172 -7.660 46 HD22 ASN 7 2HD2 ASN 7 12.918 13.755 -7.155 47 H ASN 8 H ASN 8 11.170 14.591 -2.615 48 HA ASN 8 HA ASN 8 12.282 15.505 -0.117 49 HB2 ASN 8 1HB ASN 8 13.559 16.872 -1.829 50 HB3 ASN 8 2HB ASN 8 12.041 17.636 -2.287 51 HD21 ASN 8 1HD2 ASN 8 14.048 18.711 1.048 52 HD22 ASN 8 2HD2 ASN 8 14.581 17.403 0.017 53 H THR 9 H THR 9 10.292 17.487 -2.265 54 HA THR 9 HA THR 9 8.218 18.370 -1.953 55 HB THR 9 HB THR 9 6.389 16.772 -2.200 56 HG1 THR 9 HG1 THR 9 7.510 15.155 -0.834 57 HG21 THR 9 1HG2 THR 9 7.118 15.763 -4.318 58 HG22 THR 9 2HG2 THR 9 8.817 16.037 -3.892 59 HG23 THR 9 3HG2 THR 9 7.736 17.420 -4.191 60 H ALA 10 H ALA 10 8.534 19.351 0.097 61 HA ALA 10 HA ALA 10 7.289 17.961 2.382 62 HB1 ALA 10 1HB ALA 10 9.516 19.072 2.654 63 HB2 ALA 10 2HB ALA 10 8.266 19.760 3.714 64 HB3 ALA 10 3HB ALA 10 8.759 20.628 2.238 65 H SER 11 H SER 11 5.562 18.827 3.457 66 HA SER 11 HA SER 11 3.515 20.112 1.965 67 HB2 SER 11 1HB SER 11 2.410 20.404 4.193 68 HB3 SER 11 2HB SER 11 3.014 18.757 3.939 69 HG SER 11 HG SER 11 3.830 20.696 5.747 70 H TRP 12 H TRP 12 2.809 22.261 1.884 71 HA TRP 12 HA TRP 12 4.795 24.279 2.214 72 HB2 TRP 12 1HB TRP 12 1.982 24.159 1.330 73 HB3 TRP 12 2HB TRP 12 2.494 25.700 2.042 74 HD1 TRP 12 HD1 TRP 12 2.880 23.638 -1.068 75 HE1 TRP 12 HE1 TRP 12 4.348 24.783 -2.774 76 HE3 TRP 12 HE3 TRP 12 4.654 27.347 1.953 77 HZ2 TRP 12 HZ2 TRP 12 6.121 27.010 -2.831 78 HZ3 TRP 12 HZ3 TRP 12 6.273 29.000 0.993 79 HH2 TRP 12 HH2 TRP 12 7.015 28.800 -1.381 80 H PHE 13 H PHE 13 2.425 22.977 4.365 81 HA PHE 13 HA PHE 13 2.829 25.287 6.186 82 HB2 PHE 13 1HB PHE 13 0.422 23.459 6.053 83 HB3 PHE 13 2HB PHE 13 0.571 24.980 6.942 84 HD1 PHE 13 HD1 PHE 13 -0.083 23.395 3.723 85 HD2 PHE 13 HD2 PHE 13 0.539 27.136 5.732 86 HE1 PHE 13 HE1 PHE 13 -0.956 24.592 1.745 87 HE2 PHE 13 HE2 PHE 13 -0.305 28.353 3.738 88 HZ PHE 13 HZ PHE 13 -1.054 27.068 1.726 89 H THR 14 H THR 14 2.453 24.839 8.439 90 HA THR 14 HA THR 14 3.958 22.544 9.336 91 HB THR 14 HB THR 14 3.305 23.313 11.586 92 HG1 THR 14 HG1 THR 14 1.941 25.075 11.820 93 HG21 THR 14 1HG2 THR 14 4.339 25.530 11.550 94 HG22 THR 14 2HG2 THR 14 4.128 25.618 9.790 95 HG23 THR 14 3HG2 THR 14 5.224 24.406 10.494 96 H ALA 15 H ALA 15 3.013 21.077 11.055 97 HA ALA 15 HA ALA 15 0.667 19.828 9.840 98 HB1 ALA 15 1HB ALA 15 1.284 17.923 11.104 99 HB2 ALA 15 2HB ALA 15 2.312 18.897 12.194 100 HB3 ALA 15 3HB ALA 15 2.785 18.648 10.499 101 H LEU 16 H LEU 16 -1.214 19.244 10.862 102 HA LEU 16 HA LEU 16 -2.026 20.860 13.207 103 HB2 LEU 16 1HB LEU 16 -3.431 18.765 11.510 104 HB3 LEU 16 2HB LEU 16 -4.147 19.549 12.897 105 HG LEU 16 HG LEU 16 -3.362 20.924 10.352 106 HD11 LEU 16 1HD1 LEU 16 -5.809 21.148 10.059 107 HD12 LEU 16 2HD1 LEU 16 -6.073 20.220 11.555 108 HD13 LEU 16 3HD1 LEU 16 -5.326 19.442 10.139 109 HD21 LEU 16 1HD2 LEU 16 -4.701 22.804 11.411 110 HD22 LEU 16 2HD2 LEU 16 -3.101 22.487 12.104 111 HD23 LEU 16 3HD2 LEU 16 -4.568 21.918 12.943 112 H THR 17 H THR 17 -2.611 19.920 15.196 113 HA THR 17 HA THR 17 -1.632 17.116 15.597 114 HB THR 17 HB THR 17 -1.475 19.414 17.577 115 HG1 THR 17 HG1 THR 17 -0.076 19.797 15.864 116 HG21 THR 17 1HG2 THR 17 0.191 17.843 18.644 117 HG22 THR 17 2HG2 THR 17 -0.382 16.582 17.524 118 HG23 THR 17 3HG2 THR 17 -1.501 17.309 18.704 119 H GLN 18 H GLN 18 -3.021 15.776 16.569 120 HA GLN 18 HA GLN 18 -5.616 16.869 17.488 121 HB2 GLN 18 1HB GLN 18 -5.598 15.003 15.881 122 HB3 GLN 18 2HB GLN 18 -4.598 14.050 16.957 123 HG2 GLN 18 1HG GLN 18 -6.906 13.258 17.003 124 HG3 GLN 18 2HG GLN 18 -6.440 13.877 18.583 125 HE21 GLN 18 1HE2 GLN 18 -9.750 15.213 16.880 126 HE22 GLN 18 2HE2 GLN 18 -8.884 13.751 16.428 127 H HIS 19 H HIS 19 -6.364 16.771 19.513 128 HA HIS 19 HA HIS 19 -5.096 14.857 21.435 129 HB2 HIS 19 1HB HIS 19 -4.263 17.128 22.040 130 HB3 HIS 19 2HB HIS 19 -5.919 17.739 22.024 131 HD1 HIS 19 HD1 HIS 19 -3.483 15.869 24.173 132 HD2 HIS 19 HD2 HIS 19 -7.533 16.848 24.178 133 HE1 HIS 19 HE1 HIS 19 -4.351 15.393 26.502 134 H GLY 20 H GLY 20 -6.800 13.402 21.231 135 HA2 GLY 20 1HA GLY 20 -9.319 13.859 22.331 136 HA3 GLY 20 2HA GLY 20 -9.459 14.328 20.626 137 H LYS 21 H LYS 21 -10.788 12.651 19.944 138 HA LYS 21 HA LYS 21 -9.601 9.922 20.130 139 HB2 LYS 21 1HB LYS 21 -12.492 10.808 20.314 140 HB3 LYS 21 2HB LYS 21 -11.984 9.138 20.121 141 HG2 LYS 21 1HG LYS 21 -11.266 10.913 22.487 142 HG3 LYS 21 2HG LYS 21 -12.531 9.675 22.477 143 HD2 LYS 21 1HD LYS 21 -10.803 7.935 22.011 144 HD3 LYS 21 2HD LYS 21 -9.546 9.185 22.098 145 HE2 LYS 21 1HE LYS 21 -10.243 9.703 24.426 146 HE3 LYS 21 2HE LYS 21 -11.425 8.376 24.345 147 HZ1 LYS 21 1HZ LYS 21 -9.348 7.669 25.372 148 HZ2 LYS 21 2HZ LYS 21 -8.488 8.085 24.027 149 HZ3 LYS 21 3HZ LYS 21 -9.580 6.851 23.958 150 H GLU 22 H GLU 22 -11.418 12.172 18.042 151 HA GLU 22 HA GLU 22 -11.668 10.176 15.931 152 HB2 GLU 22 1HB GLU 22 -12.419 12.076 14.554 153 HB3 GLU 22 2HB GLU 22 -13.308 11.965 16.071 154 HG2 GLU 22 1HG GLU 22 -11.976 13.771 17.033 155 HG3 GLU 22 2HG GLU 22 -11.013 13.865 15.544 156 H ASP 23 H ASP 23 -10.681 10.634 13.747 157 HA ASP 23 HA ASP 23 -7.802 10.922 14.124 158 HB2 ASP 23 1HB ASP 23 -9.470 9.528 12.375 159 HB3 ASP 23 2HB ASP 23 -8.775 10.778 11.351 160 H LEU 24 H LEU 24 -10.095 12.433 11.829 161 HA LEU 24 HA LEU 24 -9.761 15.142 12.455 162 HB2 LEU 24 1HB LEU 24 -7.414 14.982 11.657 163 HB3 LEU 24 2HB LEU 24 -7.952 14.207 10.179 164 HG LEU 24 HG LEU 24 -9.033 16.278 9.442 165 HD11 LEU 24 1HD1 LEU 24 -8.749 18.397 10.598 166 HD12 LEU 24 2HD1 LEU 24 -7.889 17.600 11.931 167 HD13 LEU 24 3HD1 LEU 24 -9.610 17.271 11.653 168 HD21 LEU 24 1HD2 LEU 24 -7.019 17.599 9.052 169 HD22 LEU 24 2HD2 LEU 24 -6.683 15.865 8.887 170 HD23 LEU 24 3HD2 LEU 24 -6.181 16.728 10.358 171 H LYS 25 H LYS 25 -11.375 16.235 11.229 172 HA LYS 25 HA LYS 25 -12.058 15.186 8.585 173 HB2 LYS 25 1HB LYS 25 -13.446 13.796 10.122 174 HB3 LYS 25 2HB LYS 25 -14.136 15.266 10.812 175 HG2 LYS 25 1HG LYS 25 -15.707 14.279 9.237 176 HG3 LYS 25 2HG LYS 25 -15.138 15.832 8.612 177 HD2 LYS 25 1HD LYS 25 -13.506 14.608 7.153 178 HD3 LYS 25 2HD LYS 25 -14.179 13.073 7.735 179 HE2 LYS 25 1HE LYS 25 -16.380 13.686 6.829 180 HE3 LYS 25 2HE LYS 25 -15.748 15.270 6.324 181 HZ1 LYS 25 1HZ LYS 25 -14.766 12.664 5.308 182 HZ2 LYS 25 2HZ LYS 25 -14.245 14.153 4.822 183 HZ3 LYS 25 3HZ LYS 25 -15.788 13.674 4.496 184 H PHE 26 H PHE 26 -12.821 16.756 7.253 185 HA PHE 26 HA PHE 26 -13.680 19.334 8.492 186 HB2 PHE 26 1HB PHE 26 -11.901 18.850 6.079 187 HB3 PHE 26 2HB PHE 26 -12.729 20.381 6.369 188 HD1 PHE 26 HD1 PHE 26 -12.455 20.916 9.198 189 HD2 PHE 26 HD2 PHE 26 -9.585 19.174 6.480 190 HE1 PHE 26 HE1 PHE 26 -10.608 21.704 10.644 191 HE2 PHE 26 HE2 PHE 26 -7.746 19.929 7.966 192 HZ PHE 26 HZ PHE 26 -8.245 21.202 10.038 193 HA PRO 27 HA PRO 27 -17.188 18.686 5.849 194 HB2 PRO 27 1HB PRO 27 -18.290 21.178 5.759 195 HB3 PRO 27 2HB PRO 27 -18.236 20.215 7.269 196 HG2 PRO 27 1HG PRO 27 -16.495 22.424 6.375 197 HG3 PRO 27 2HG PRO 27 -17.219 22.125 7.967 198 HD2 PRO 27 1HD PRO 27 -14.610 21.507 7.295 199 HD3 PRO 27 2HD PRO 27 -15.547 20.666 8.577 200 H ARG 28 H ARG 28 -18.243 19.406 3.781 201 HA ARG 28 HA ARG 28 -16.288 19.630 1.683 202 HB2 ARG 28 1HB ARG 28 -18.470 18.438 1.500 203 HB3 ARG 28 2HB ARG 28 -19.313 19.985 1.591 204 HG2 ARG 28 1HG ARG 28 -17.252 19.662 -0.568 205 HG3 ARG 28 2HG ARG 28 -18.775 18.770 -0.741 206 HD2 ARG 28 1HD ARG 28 -20.062 20.838 -0.539 207 HD3 ARG 28 2HD ARG 28 -18.590 21.763 -0.240 208 HE ARG 28 HE ARG 28 -18.577 20.316 -2.770 209 HH11 ARG 28 1HH1 ARG 28 -19.437 23.380 -1.222 210 HH12 ARG 28 2HH1 ARG 28 -19.343 24.263 -2.739 211 HH21 ARG 28 1HH2 ARG 28 -18.510 21.528 -4.644 212 HH22 ARG 28 2HH2 ARG 28 -18.834 23.248 -4.608 213 H GLY 29 H GLY 29 -15.575 21.354 0.493 214 HA2 GLY 29 1HA GLY 29 -15.650 23.498 -0.429 215 HA3 GLY 29 2HA GLY 29 -17.057 23.888 0.577 216 H GLN 30 H GLN 30 -14.874 22.422 2.545 217 HA GLN 30 HA GLN 30 -13.477 24.928 3.337 218 HB2 GLN 30 1HB GLN 30 -15.328 23.157 4.938 219 HB3 GLN 30 2HB GLN 30 -14.148 24.202 5.713 220 HG2 GLN 30 1HG GLN 30 -15.193 26.162 4.812 221 HG3 GLN 30 2HG GLN 30 -16.348 25.169 3.896 222 HE21 GLN 30 1HE2 GLN 30 -16.719 25.458 7.969 223 HE22 GLN 30 2HE2 GLN 30 -15.144 25.683 7.212 224 H GLY 31 H GLY 31 -12.085 24.234 5.363 225 HA2 GLY 31 1HA GLY 31 -10.805 22.569 6.455 226 HA3 GLY 31 2HA GLY 31 -11.151 21.439 5.141 227 H VAL 32 H VAL 32 -10.528 23.481 3.086 228 HA VAL 32 HA VAL 32 -7.722 22.959 2.812 229 HB VAL 32 HB VAL 32 -9.489 25.095 1.479 230 HG11 VAL 32 1HG1 VAL 32 -7.721 25.138 -0.225 231 HG12 VAL 32 2HG1 VAL 32 -6.709 24.142 0.828 232 HG13 VAL 32 3HG1 VAL 32 -7.218 25.774 1.333 233 HG21 VAL 32 1HG2 VAL 32 -9.501 23.564 -0.458 234 HG22 VAL 32 2HG2 VAL 32 -10.236 22.803 0.967 235 HG23 VAL 32 3HG2 VAL 32 -8.579 22.369 0.475 236 HA PRO 33 HA PRO 33 -6.590 26.147 5.708 237 HB2 PRO 33 1HB PRO 33 -3.884 25.953 5.473 238 HB3 PRO 33 2HB PRO 33 -4.869 24.688 6.271 239 HG2 PRO 33 1HG PRO 33 -3.822 24.772 3.481 240 HG3 PRO 33 2HG PRO 33 -3.749 23.454 4.679 241 HD2 PRO 33 1HD PRO 33 -5.586 23.466 2.761 242 HD3 PRO 33 2HD PRO 33 -5.917 22.836 4.400 243 H ILE 34 H ILE 34 -5.254 28.185 5.673 244 HA ILE 34 HA ILE 34 -5.865 29.653 3.273 245 HB ILE 34 HB ILE 34 -4.132 30.362 5.670 246 HG12 ILE 34 1HG1 ILE 34 -6.954 31.165 4.882 247 HG13 ILE 34 2HG1 ILE 34 -6.546 29.937 6.079 248 HG21 ILE 34 1HG2 ILE 34 -5.213 32.207 3.485 249 HG22 ILE 34 2HG2 ILE 34 -3.511 31.701 3.631 250 HG23 ILE 34 3HG2 ILE 34 -4.242 32.685 4.898 251 HD11 ILE 34 1HD1 ILE 34 -5.977 32.868 6.215 252 HD12 ILE 34 2HD1 ILE 34 -5.335 31.664 7.360 253 HD13 ILE 34 3HD1 ILE 34 -7.084 31.919 7.223 254 H ASN 35 H ASN 35 -4.917 29.359 1.481 255 HA ASN 35 HA ASN 35 -2.069 28.535 1.411 256 HB2 ASN 35 1HB ASN 35 -4.171 28.542 -0.723 257 HB3 ASN 35 2HB ASN 35 -2.499 28.136 -1.024 258 HD21 ASN 35 1HD2 ASN 35 -5.016 25.341 0.154 259 HD22 ASN 35 2HD2 ASN 35 -5.481 26.924 -0.426 260 H THR 36 H THR 36 -1.033 30.460 1.831 261 HA THR 36 HA THR 36 -1.562 32.890 0.361 262 HB THR 36 HB THR 36 0.631 33.584 1.311 263 HG1 THR 36 HG1 THR 36 1.857 32.077 2.417 264 HG21 THR 36 1HG2 THR 36 0.070 33.374 3.649 265 HG22 THR 36 2HG2 THR 36 -0.922 31.934 3.333 266 HG23 THR 36 3HG2 THR 36 -1.452 33.531 2.745 267 H ASN 37 H ASN 37 -0.044 29.986 -0.401 268 HA ASN 37 HA ASN 37 1.675 31.203 -2.513 269 HB2 ASN 37 1HB ASN 37 3.012 29.164 -2.357 270 HB3 ASN 37 2HB ASN 37 2.816 29.879 -0.752 271 HD21 ASN 37 1HD2 ASN 37 1.085 27.158 0.610 272 HD22 ASN 37 2HD2 ASN 37 1.641 28.805 0.817 273 H SER 38 H SER 38 -1.356 30.360 -2.778 274 HA SER 38 HA SER 38 -0.850 28.660 -5.176 275 HB2 SER 38 1HB SER 38 -3.064 28.093 -3.197 276 HB3 SER 38 2HB SER 38 -2.565 27.108 -4.575 277 HG SER 38 HG SER 38 -0.407 27.327 -3.229 278 H SER 39 H SER 39 -2.343 28.615 -6.799 279 HA SER 39 HA SER 39 -3.883 31.004 -7.295 280 HB2 SER 39 1HB SER 39 -4.145 28.355 -8.715 281 HB3 SER 39 2HB SER 39 -4.284 29.988 -9.399 282 HG SER 39 HG SER 39 -2.098 28.397 -9.029 283 HA PRO 40 HA PRO 40 -7.656 29.767 -5.536 284 HB2 PRO 40 1HB PRO 40 -9.668 30.265 -7.333 285 HB3 PRO 40 2HB PRO 40 -8.785 31.563 -6.467 286 HG2 PRO 40 1HG PRO 40 -8.281 30.473 -9.231 287 HG3 PRO 40 2HG PRO 40 -8.488 32.178 -8.712 288 HD2 PRO 40 1HD PRO 40 -6.038 31.133 -9.049 289 HD3 PRO 40 2HD PRO 40 -6.375 32.232 -7.667 290 H ASP 41 H ASP 41 -7.074 28.421 -8.804 291 HA ASP 41 HA ASP 41 -8.949 26.235 -8.383 292 HB2 ASP 41 1HB ASP 41 -8.191 25.331 -10.399 293 HB3 ASP 41 2HB ASP 41 -8.176 27.082 -10.649 294 H ASP 42 H ASP 42 -5.752 26.972 -7.413 295 HA ASP 42 HA ASP 42 -4.783 24.238 -7.172 296 HB2 ASP 42 1HB ASP 42 -3.714 26.963 -6.526 297 HB3 ASP 42 2HB ASP 42 -2.898 25.526 -5.952 298 H GLN 43 H GLN 43 -6.812 26.076 -5.247 299 HA GLN 43 HA GLN 43 -5.847 25.643 -2.611 300 HB2 GLN 43 1HB GLN 43 -8.690 25.770 -3.663 301 HB3 GLN 43 2HB GLN 43 -8.219 25.966 -1.979 302 HG2 GLN 43 1HG GLN 43 -7.459 27.784 -4.272 303 HG3 GLN 43 2HG GLN 43 -8.623 28.145 -2.999 304 HE21 GLN 43 1HE2 GLN 43 -4.782 29.065 -2.564 305 HE22 GLN 43 2HE2 GLN 43 -5.564 28.669 -4.074 306 H ILE 44 H ILE 44 -7.355 23.383 -4.808 307 HA ILE 44 HA ILE 44 -8.436 21.542 -2.979 308 HB ILE 44 HB ILE 44 -8.836 21.567 -5.406 309 HG12 ILE 44 1HG1 ILE 44 -7.716 18.886 -4.601 310 HG13 ILE 44 2HG1 ILE 44 -9.220 19.549 -3.951 311 HG21 ILE 44 1HG2 ILE 44 -7.217 20.663 -6.994 312 HG22 ILE 44 2HG2 ILE 44 -6.044 20.407 -5.703 313 HG23 ILE 44 3HG2 ILE 44 -6.531 22.054 -6.159 314 HD11 ILE 44 1HD1 ILE 44 -10.070 19.767 -6.276 315 HD12 ILE 44 2HD1 ILE 44 -9.744 18.102 -5.765 316 HD13 ILE 44 3HD1 ILE 44 -8.585 18.912 -6.827 317 H GLY 45 H GLY 45 -7.760 19.800 -1.832 318 HA2 GLY 45 1HA GLY 45 -5.264 18.501 -2.260 319 HA3 GLY 45 2HA GLY 45 -5.069 19.694 -0.969 320 H TYR 46 H TYR 46 -4.593 17.858 0.381 321 HA TYR 46 HA TYR 46 -7.037 16.978 1.735 322 HB2 TYR 46 1HB TYR 46 -6.498 14.610 1.631 323 HB3 TYR 46 2HB TYR 46 -6.651 15.223 -0.011 324 HD1 TYR 46 HD1 TYR 46 -4.435 13.857 2.527 325 HD2 TYR 46 HD2 TYR 46 -4.622 15.499 -1.438 326 HE1 TYR 46 HE1 TYR 46 -2.153 12.933 1.999 327 HE2 TYR 46 HE2 TYR 46 -2.348 14.610 -1.941 328 HH TYR 46 HH TYR 46 -0.543 13.489 -1.154 329 H TYR 47 H TYR 47 -6.244 15.696 3.776 330 HA TYR 47 HA TYR 47 -3.553 16.785 4.559 331 HB2 TYR 47 1HB TYR 47 -5.929 16.122 6.282 332 HB3 TYR 47 2HB TYR 47 -4.321 16.399 6.897 333 HD1 TYR 47 HD1 TYR 47 -6.800 18.230 4.662 334 HD2 TYR 47 HD2 TYR 47 -3.821 18.469 7.768 335 HE1 TYR 47 HE1 TYR 47 -7.257 20.640 4.931 336 HE2 TYR 47 HE2 TYR 47 -4.305 20.887 8.020 337 HH TYR 47 HH TYR 47 -6.866 22.526 6.181 338 H ARG 48 H ARG 48 -2.104 15.396 5.283 339 HA ARG 48 HA ARG 48 -2.739 12.503 4.924 340 HB2 ARG 48 1HB ARG 48 -1.033 13.865 3.516 341 HB3 ARG 48 2HB ARG 48 -0.004 13.836 4.938 342 HG2 ARG 48 1HG ARG 48 0.287 11.486 4.804 343 HG3 ARG 48 2HG ARG 48 -1.116 11.305 3.727 344 HD2 ARG 48 1HD ARG 48 0.085 12.741 2.043 345 HD3 ARG 48 2HD ARG 48 1.530 12.634 3.062 346 HE ARG 48 HE ARG 48 0.702 10.000 2.604 347 HH11 ARG 48 1HH1 ARG 48 1.718 12.703 0.568 348 HH12 ARG 48 2HH1 ARG 48 2.382 11.656 -0.658 349 HH21 ARG 48 1HH2 ARG 48 1.593 8.725 1.003 350 HH22 ARG 48 2HH2 ARG 48 2.302 9.446 -0.416 351 H ARG 49 H ARG 49 -2.899 11.366 6.719 352 HA ARG 49 HA ARG 49 -2.092 12.248 9.336 353 HB2 ARG 49 1HB ARG 49 -3.800 10.484 8.610 354 HB3 ARG 49 2HB ARG 49 -2.442 9.415 8.294 355 HG2 ARG 49 1HG ARG 49 -1.858 9.711 10.789 356 HG3 ARG 49 2HG ARG 49 -3.496 10.411 10.936 357 HD2 ARG 49 1HD ARG 49 -4.073 8.270 9.412 358 HD3 ARG 49 2HD ARG 49 -2.649 7.615 10.225 359 HE ARG 49 HE ARG 49 -4.541 8.739 12.103 360 HH11 ARG 49 1HH1 ARG 49 -4.054 5.878 10.046 361 HH12 ARG 49 2HH1 ARG 49 -5.047 4.886 11.066 362 HH21 ARG 49 1HH2 ARG 49 -5.791 7.414 13.316 363 HH22 ARG 49 2HH2 ARG 49 -5.986 5.725 12.907 364 H ALA 50 H ALA 50 -0.114 12.125 10.312 365 HA ALA 50 HA ALA 50 1.928 10.294 9.169 366 HB1 ALA 50 1HB ALA 50 2.285 12.464 8.058 367 HB2 ALA 50 2HB ALA 50 3.604 12.125 9.211 368 HB3 ALA 50 3HB ALA 50 2.316 13.276 9.642 369 H THR 51 H THR 51 2.980 9.235 10.699 370 HA THR 51 HA THR 51 3.715 10.566 13.177 371 HB THR 51 HB THR 51 1.413 9.733 13.732 372 HG1 THR 51 HG1 THR 51 2.079 8.874 15.663 373 HG21 THR 51 1HG2 THR 51 0.984 7.354 13.971 374 HG22 THR 51 2HG2 THR 51 2.610 6.960 13.377 375 HG23 THR 51 3HG2 THR 51 1.415 7.698 12.284 376 H ARG 52 H ARG 52 5.273 9.350 14.321 377 HA ARG 52 HA ARG 52 6.257 6.828 13.197 378 HB2 ARG 52 1HB ARG 52 7.295 8.857 11.868 379 HB3 ARG 52 2HB ARG 52 8.197 9.160 13.355 380 HG2 ARG 52 1HG ARG 52 9.673 7.885 12.068 381 HG3 ARG 52 2HG ARG 52 8.955 6.668 13.142 382 HD2 ARG 52 1HD ARG 52 7.376 6.014 11.343 383 HD3 ARG 52 2HD ARG 52 8.032 7.284 10.299 384 HE ARG 52 HE ARG 52 10.053 6.062 10.039 385 HH11 ARG 52 1HH1 ARG 52 7.662 4.205 11.868 386 HH12 ARG 52 2HH1 ARG 52 8.510 2.704 11.617 387 HH21 ARG 52 1HH2 ARG 52 11.060 4.108 9.757 388 HH22 ARG 52 2HH2 ARG 52 10.385 2.651 10.435 389 H ARG 53 H ARG 53 7.156 5.695 14.915 390 HA ARG 53 HA ARG 53 7.727 7.244 17.399 391 HB2 ARG 53 1HB ARG 53 5.537 6.112 17.454 392 HB3 ARG 53 2HB ARG 53 6.314 4.557 17.187 393 HG2 ARG 53 1HG ARG 53 6.537 4.344 19.404 394 HG3 ARG 53 2HG ARG 53 7.561 5.792 19.432 395 HD2 ARG 53 1HD ARG 53 5.798 6.288 20.901 396 HD3 ARG 53 2HD ARG 53 5.415 7.157 19.407 397 HE ARG 53 HE ARG 53 4.200 4.483 19.776 398 HH11 ARG 53 1HH1 ARG 53 3.688 7.996 19.898 399 HH12 ARG 53 2HH1 ARG 53 1.958 7.821 19.938 400 HH21 ARG 53 1HH2 ARG 53 1.981 4.367 19.823 401 HH22 ARG 53 2HH2 ARG 53 1.020 5.818 19.889 402 H ILE 54 H ILE 54 9.511 6.704 18.414 403 HA ILE 54 HA ILE 54 11.046 4.378 17.417 404 HB ILE 54 HB ILE 54 12.970 5.615 17.026 405 HG12 ILE 54 1HG1 ILE 54 13.162 6.771 19.118 406 HG13 ILE 54 2HG1 ILE 54 13.493 7.861 17.792 407 HG21 ILE 54 1HG2 ILE 54 12.454 7.447 15.535 408 HG22 ILE 54 2HG2 ILE 54 10.838 7.656 16.255 409 HG23 ILE 54 3HG2 ILE 54 11.242 6.164 15.357 410 HD11 ILE 54 1HD1 ILE 54 12.335 9.070 19.417 411 HD12 ILE 54 2HD1 ILE 54 11.143 7.777 19.643 412 HD13 ILE 54 3HD1 ILE 54 11.147 8.743 18.140 413 H ARG 55 H ARG 55 12.968 4.083 18.933 414 HA ARG 55 HA ARG 55 12.112 4.585 21.771 415 HB2 ARG 55 1HB ARG 55 12.088 2.152 20.918 416 HB3 ARG 55 2HB ARG 55 13.846 2.262 20.831 417 HG2 ARG 55 1HG ARG 55 12.351 2.911 23.390 418 HG3 ARG 55 2HG ARG 55 12.709 1.235 22.960 419 HD2 ARG 55 1HD ARG 55 14.837 3.381 23.163 420 HD3 ARG 55 2HD ARG 55 14.344 2.378 24.531 421 HE ARG 55 HE ARG 55 14.975 0.622 22.436 422 HH11 ARG 55 1HH1 ARG 55 16.701 3.009 24.384 423 HH12 ARG 55 2HH1 ARG 55 18.207 2.130 24.293 424 HH21 ARG 55 1HH2 ARG 55 16.936 -0.434 22.346 425 HH22 ARG 55 2HH2 ARG 55 18.335 0.226 23.149 426 H GLY 56 H GLY 56 13.362 6.189 22.550 427 HA2 GLY 56 1HA GLY 56 15.831 6.894 21.209 428 HA3 GLY 56 2HA GLY 56 15.144 7.654 22.654 429 H GLY 57 H GLY 57 17.900 6.924 22.037 430 HA2 GLY 57 1HA GLY 57 18.663 4.621 23.598 431 HA3 GLY 57 2HA GLY 57 19.738 5.914 23.021 432 H ASP 58 H ASP 58 17.846 7.888 24.201 433 HA ASP 58 HA ASP 58 19.062 8.336 26.743 434 HB2 ASP 58 1HB ASP 58 18.077 10.003 25.112 435 HB3 ASP 58 2HB ASP 58 16.473 9.446 25.599 436 H GLY 59 H GLY 59 16.473 6.270 25.748 437 HA2 GLY 59 1HA GLY 59 16.026 4.446 27.231 438 HA3 GLY 59 2HA GLY 59 16.087 5.564 28.599 439 H LYS 60 H LYS 60 14.400 6.633 25.720 440 HA LYS 60 HA LYS 60 11.881 5.809 26.928 441 HB2 LYS 60 1HB LYS 60 11.035 7.976 27.334 442 HB3 LYS 60 2HB LYS 60 12.559 7.679 28.169 443 HG2 LYS 60 1HG LYS 60 12.737 9.114 25.581 444 HG3 LYS 60 2HG LYS 60 12.028 9.990 26.953 445 HD2 LYS 60 1HD LYS 60 14.628 8.480 27.128 446 HD3 LYS 60 2HD LYS 60 14.549 10.185 26.661 447 HE2 LYS 60 1HE LYS 60 13.483 10.708 28.856 448 HE3 LYS 60 2HE LYS 60 13.620 8.999 29.312 449 HZ1 LYS 60 1HZ LYS 60 15.434 10.329 30.228 450 HZ2 LYS 60 2HZ LYS 60 15.923 10.778 28.715 451 HZ3 LYS 60 3HZ LYS 60 16.029 9.198 29.182 452 H MET 61 H MET 61 9.916 6.436 25.842 453 HA MET 61 HA MET 61 10.275 5.957 22.976 454 HB2 MET 61 1HB MET 61 7.800 6.205 24.727 455 HB3 MET 61 2HB MET 61 7.780 5.784 23.016 456 HG2 MET 61 1HG MET 61 9.008 4.171 25.267 457 HG3 MET 61 2HG MET 61 7.559 3.777 24.332 458 HE1 MET 61 1HE MET 61 7.587 3.189 21.753 459 HE2 MET 61 2HE MET 61 9.060 2.846 20.811 460 HE3 MET 61 3HE MET 61 8.650 4.527 21.219 461 H LYS 62 H LYS 62 9.115 7.056 21.356 462 HA LYS 62 HA LYS 62 9.392 9.901 21.332 463 HB2 LYS 62 1HB LYS 62 9.141 8.096 19.436 464 HB3 LYS 62 2HB LYS 62 7.426 8.348 19.618 465 HG2 LYS 62 1HG LYS 62 9.111 10.738 19.303 466 HG3 LYS 62 2HG LYS 62 8.931 9.668 17.904 467 HD2 LYS 62 1HD LYS 62 6.444 9.796 18.239 468 HD3 LYS 62 2HD LYS 62 6.745 11.069 19.439 469 HE2 LYS 62 1HE LYS 62 7.949 12.368 17.713 470 HE3 LYS 62 2HE LYS 62 7.550 11.100 16.521 471 HZ1 LYS 62 1HZ LYS 62 5.908 12.909 16.498 472 HZ2 LYS 62 2HZ LYS 62 5.580 12.689 18.100 473 HZ3 LYS 62 3HZ LYS 62 5.190 11.514 17.015 474 H ASP 63 H ASP 63 6.711 7.779 21.769 475 HA ASP 63 HA ASP 63 4.502 7.984 22.297 476 HB2 ASP 63 1HB ASP 63 5.653 8.877 24.391 477 HB3 ASP 63 2HB ASP 63 5.171 10.486 23.831 478 H LEU 64 H LEU 64 3.375 10.819 22.859 479 HA LEU 64 HA LEU 64 2.276 12.449 21.793 480 HB2 LEU 64 1HB LEU 64 4.746 12.265 20.337 481 HB3 LEU 64 2HB LEU 64 3.452 12.697 19.234 482 HG LEU 64 HG LEU 64 4.641 14.650 20.062 483 HD11 LEU 64 1HD1 LEU 64 2.770 16.026 20.711 484 HD12 LEU 64 2HD1 LEU 64 1.848 14.618 21.272 485 HD13 LEU 64 3HD1 LEU 64 2.194 14.826 19.535 486 HD21 LEU 64 1HD2 LEU 64 4.604 15.344 22.384 487 HD22 LEU 64 2HD2 LEU 64 5.312 13.718 22.271 488 HD23 LEU 64 3HD2 LEU 64 3.639 13.924 22.843 489 H SER 65 H SER 65 0.796 13.095 20.211 490 HA SER 65 HA SER 65 -0.745 10.853 19.162 491 HB2 SER 65 1HB SER 65 -2.277 12.794 18.511 492 HB3 SER 65 2HB SER 65 -1.918 12.650 20.243 493 HG SER 65 HG SER 65 -1.738 14.794 19.377 494 HA PRO 66 HA PRO 66 0.627 11.348 14.991 495 HB2 PRO 66 1HB PRO 66 -1.584 10.981 13.436 496 HB3 PRO 66 2HB PRO 66 -0.858 9.632 14.369 497 HG2 PRO 66 1HG PRO 66 -3.178 11.403 15.106 498 HG3 PRO 66 2HG PRO 66 -3.086 9.611 15.100 499 HD2 PRO 66 1HD PRO 66 -2.721 11.036 17.366 500 HD3 PRO 66 2HD PRO 66 -1.750 9.561 17.031 501 H ARG 67 H ARG 67 0.686 12.873 13.243 502 HA ARG 67 HA ARG 67 -0.942 15.338 13.738 503 HB2 ARG 67 1HB ARG 67 1.881 14.983 12.677 504 HB3 ARG 67 2HB ARG 67 0.981 16.507 12.657 505 HG2 ARG 67 1HG ARG 67 0.734 16.358 15.097 506 HG3 ARG 67 2HG ARG 67 1.772 14.921 15.087 507 HD2 ARG 67 1HD ARG 67 3.624 16.135 14.894 508 HD3 ARG 67 2HD ARG 67 2.923 17.152 13.617 509 HE ARG 67 HE ARG 67 1.685 17.854 16.071 510 HH11 ARG 67 1HH1 ARG 67 4.879 18.202 14.581 511 HH12 ARG 67 2HH1 ARG 67 5.226 19.661 15.498 512 HH21 ARG 67 1HH2 ARG 67 2.225 19.653 17.194 513 HH22 ARG 67 2HH2 ARG 67 3.768 20.452 16.951 514 H TRP 68 H TRP 68 -1.377 16.601 11.794 515 HA TRP 68 HA TRP 68 -1.590 14.840 9.372 516 HB2 TRP 68 1HB TRP 68 -3.557 16.799 10.566 517 HB3 TRP 68 2HB TRP 68 -3.673 16.204 8.910 518 HD1 TRP 68 HD1 TRP 68 -3.732 14.809 12.531 519 HE1 TRP 68 HE1 TRP 68 -5.135 12.687 12.608 520 HE3 TRP 68 HE3 TRP 68 -4.654 14.384 7.525 521 HZ2 TRP 68 HZ2 TRP 68 -6.448 11.016 10.725 522 HZ3 TRP 68 HZ3 TRP 68 -6.071 12.499 6.719 523 HH2 TRP 68 HH2 TRP 68 -6.973 10.829 8.339 524 H TYR 69 H TYR 69 -0.630 15.627 7.617 525 HA TYR 69 HA TYR 69 0.267 18.501 7.689 526 HB2 TYR 69 1HB TYR 69 1.358 16.013 6.311 527 HB3 TYR 69 2HB TYR 69 1.952 17.643 6.000 528 HD1 TYR 69 HD1 TYR 69 3.901 18.300 7.093 529 HD2 TYR 69 HD2 TYR 69 1.400 15.365 9.039 530 HE1 TYR 69 HE1 TYR 69 5.587 18.043 8.911 531 HE2 TYR 69 HE2 TYR 69 3.103 15.122 10.824 532 HH TYR 69 HH TYR 69 5.133 15.742 11.607 533 H PHE 70 H PHE 70 -0.330 19.792 5.882 534 HA PHE 70 HA PHE 70 -2.475 18.675 4.236 535 HB2 PHE 70 1HB PHE 70 -2.778 20.912 5.186 536 HB3 PHE 70 2HB PHE 70 -1.311 21.475 4.372 537 HD1 PHE 70 HD1 PHE 70 -4.635 19.887 3.601 538 HD2 PHE 70 HD2 PHE 70 -1.489 22.483 2.255 539 HE1 PHE 70 HE1 PHE 70 -5.975 20.456 1.582 540 HE2 PHE 70 HE2 PHE 70 -2.835 23.086 0.254 541 HZ PHE 70 HZ PHE 70 -5.080 22.071 -0.096 542 H TYR 71 H TYR 71 -2.356 18.185 2.161 543 HA TYR 71 HA TYR 71 0.163 18.759 0.683 544 HB2 TYR 71 1HB TYR 71 -0.911 16.206 1.739 545 HB3 TYR 71 2HB TYR 71 -0.297 16.152 0.059 546 HD1 TYR 71 HD1 TYR 71 2.153 17.044 -0.300 547 HD2 TYR 71 HD2 TYR 71 0.535 16.049 3.563 548 HE1 TYR 71 HE1 TYR 71 4.468 16.888 0.638 549 HE2 TYR 71 HE2 TYR 71 2.845 15.873 4.479 550 HH TYR 71 HH TYR 71 5.065 16.009 4.058 551 H TYR 72 H TYR 72 -0.255 19.126 -1.451 552 HA TYR 72 HA TYR 72 -3.004 19.582 -2.173 553 HB2 TYR 72 1HB TYR 72 -0.447 19.773 -3.800 554 HB3 TYR 72 2HB TYR 72 -2.032 20.377 -4.298 555 HD1 TYR 72 HD1 TYR 72 0.781 20.866 -1.901 556 HD2 TYR 72 HD2 TYR 72 -2.969 22.425 -3.347 557 HE1 TYR 72 HE1 TYR 72 1.164 22.983 -0.650 558 HE2 TYR 72 HE2 TYR 72 -2.546 24.550 -2.115 559 HH TYR 72 HH TYR 72 -1.221 25.599 -0.549 560 H LEU 73 H LEU 73 -4.030 18.824 -4.150 561 HA LEU 73 HA LEU 73 -4.199 16.003 -4.277 562 HB2 LEU 73 1HB LEU 73 -6.010 17.418 -4.997 563 HB3 LEU 73 2HB LEU 73 -5.004 18.213 -6.188 564 HG LEU 73 HG LEU 73 -5.135 16.417 -7.674 565 HD11 LEU 73 1HD1 LEU 73 -4.954 14.477 -6.090 566 HD12 LEU 73 2HD1 LEU 73 -6.221 14.276 -7.295 567 HD13 LEU 73 3HD1 LEU 73 -6.643 14.755 -5.640 568 HD21 LEU 73 1HD2 LEU 73 -7.816 16.763 -6.478 569 HD22 LEU 73 2HD2 LEU 73 -7.452 16.162 -8.112 570 HD23 LEU 73 3HD2 LEU 73 -7.012 17.820 -7.666 571 H GLY 74 H GLY 74 -2.973 14.492 -5.190 572 HA2 GLY 74 1HA GLY 74 -1.657 13.489 -6.809 573 HA3 GLY 74 2HA GLY 74 -1.577 15.016 -7.680 574 H THR 75 H THR 75 -0.529 15.134 -4.311 575 HA THR 75 HA THR 75 2.227 15.535 -5.346 576 HB THR 75 HB THR 75 2.689 16.081 -2.874 577 HG1 THR 75 HG1 THR 75 -0.136 16.280 -2.675 578 HG21 THR 75 1HG2 THR 75 1.444 18.254 -2.946 579 HG22 THR 75 2HG2 THR 75 0.611 17.678 -4.408 580 HG23 THR 75 3HG2 THR 75 2.378 17.897 -4.410 581 H GLY 76 H GLY 76 4.001 14.343 -4.720 582 HA2 GLY 76 1HA GLY 76 5.115 12.586 -3.574 583 HA3 GLY 76 2HA GLY 76 3.557 11.852 -3.160 584 HA PRO 77 HA PRO 77 5.270 10.579 -7.460 585 HB2 PRO 77 1HB PRO 77 6.998 8.490 -7.069 586 HB3 PRO 77 2HB PRO 77 7.507 10.201 -7.058 587 HG2 PRO 77 1HG PRO 77 6.881 8.431 -4.725 588 HG3 PRO 77 2HG PRO 77 8.309 9.476 -4.996 589 HD2 PRO 77 1HD PRO 77 6.213 10.276 -3.478 590 HD3 PRO 77 2HD PRO 77 7.115 11.428 -4.521 591 H GLU 78 H GLU 78 4.926 8.111 -4.876 592 HA GLU 78 HA GLU 78 3.226 6.492 -6.742 593 HB2 GLU 78 1HB GLU 78 4.796 5.704 -4.262 594 HB3 GLU 78 2HB GLU 78 3.660 4.637 -5.096 595 HG2 GLU 78 1HG GLU 78 5.018 4.758 -7.150 596 HG3 GLU 78 2HG GLU 78 6.165 5.835 -6.335 597 H ALA 79 H ALA 79 2.325 8.851 -5.606 598 HA ALA 79 HA ALA 79 0.999 8.463 -3.108 599 HB1 ALA 79 1HB ALA 79 1.503 10.638 -4.166 600 HB2 ALA 79 2HB ALA 79 -0.213 10.489 -3.706 601 HB3 ALA 79 3HB ALA 79 0.282 10.311 -5.411 602 H GLY 80 H GLY 80 -0.011 8.081 -6.507 603 HA2 GLY 80 1HA GLY 80 -1.743 6.903 -7.453 604 HA3 GLY 80 2HA GLY 80 -1.671 5.873 -6.019 605 H LEU 81 H LEU 81 -2.558 9.347 -5.939 606 HA LEU 81 HA LEU 81 -5.231 8.462 -5.082 607 HB2 LEU 81 1HB LEU 81 -3.229 10.383 -3.959 608 HB3 LEU 81 2HB LEU 81 -4.927 10.670 -3.723 609 HG LEU 81 HG LEU 81 -3.407 8.251 -2.761 610 HD11 LEU 81 1HD1 LEU 81 -3.944 9.263 -0.539 611 HD12 LEU 81 2HD1 LEU 81 -4.624 10.670 -1.374 612 HD13 LEU 81 3HD1 LEU 81 -2.895 10.286 -1.535 613 HD21 LEU 81 1HD2 LEU 81 -5.514 7.676 -1.571 614 HD22 LEU 81 2HD2 LEU 81 -5.691 7.581 -3.332 615 HD23 LEU 81 3HD2 LEU 81 -6.347 8.967 -2.433 616 HA PRO 82 HA PRO 82 -6.632 11.693 -7.949 617 HB2 PRO 82 1HB PRO 82 -8.939 10.400 -8.590 618 HB3 PRO 82 2HB PRO 82 -7.383 9.964 -9.372 619 HG2 PRO 82 1HG PRO 82 -8.844 8.606 -7.139 620 HG3 PRO 82 2HG PRO 82 -7.970 7.894 -8.516 621 HD2 PRO 82 1HD PRO 82 -6.970 8.115 -5.998 622 HD3 PRO 82 2HD PRO 82 -5.979 7.956 -7.460 623 H TYR 83 H TYR 83 -8.622 13.028 -7.525 624 HA TYR 83 HA TYR 83 -8.923 13.423 -4.734 625 HB2 TYR 83 1HB TYR 83 -9.283 15.132 -6.525 626 HB3 TYR 83 2HB TYR 83 -10.792 14.328 -6.947 627 HD1 TYR 83 HD1 TYR 83 -12.788 14.678 -5.575 628 HD2 TYR 83 HD2 TYR 83 -8.982 16.194 -4.264 629 HE1 TYR 83 HE1 TYR 83 -13.918 15.986 -3.772 630 HE2 TYR 83 HE2 TYR 83 -10.120 17.513 -2.483 631 HH TYR 83 HH TYR 83 -13.657 17.430 -2.024 632 H GLY 84 H GLY 84 -10.288 12.634 -3.244 633 HA2 GLY 84 1HA GLY 84 -12.295 11.729 -2.451 634 HA3 GLY 84 2HA GLY 84 -12.765 11.293 -4.093 635 H ALA 85 H ALA 85 -9.719 10.072 -4.019 636 HA ALA 85 HA ALA 85 -10.683 7.396 -3.647 637 HB1 ALA 85 1HB ALA 85 -8.871 7.627 -5.095 638 HB2 ALA 85 2HB ALA 85 -8.181 6.851 -3.656 639 HB3 ALA 85 3HB ALA 85 -7.929 8.593 -3.941 640 H ASN 86 H ASN 86 -10.790 6.087 -1.960 641 HA ASN 86 HA ASN 86 -10.301 7.174 0.703 642 HB2 ASN 86 1HB ASN 86 -12.252 5.705 0.139 643 HB3 ASN 86 2HB ASN 86 -11.121 4.373 -0.151 644 HD21 ASN 86 1HD2 ASN 86 -11.621 3.444 3.165 645 HD22 ASN 86 2HD2 ASN 86 -11.807 3.043 1.475 646 H LYS 87 H LYS 87 -8.591 6.838 1.992 647 HA LYS 87 HA LYS 87 -6.803 4.535 1.619 648 HB2 LYS 87 1HB LYS 87 -6.008 6.167 -0.053 649 HB3 LYS 87 2HB LYS 87 -5.881 7.386 1.181 650 HG2 LYS 87 1HG LYS 87 -3.997 6.313 2.219 651 HG3 LYS 87 2HG LYS 87 -4.293 4.805 1.297 652 HD2 LYS 87 1HD LYS 87 -3.981 6.328 -0.767 653 HD3 LYS 87 2HD LYS 87 -3.200 7.437 0.361 654 HE2 LYS 87 1HE LYS 87 -1.408 6.028 0.707 655 HE3 LYS 87 2HE LYS 87 -2.345 4.568 0.320 656 HZ1 LYS 87 1HZ LYS 87 -2.304 5.183 -2.010 657 HZ2 LYS 87 2HZ LYS 87 -0.753 5.154 -1.458 658 HZ3 LYS 87 3HZ LYS 87 -1.518 6.595 -1.707 659 H ASP 88 H ASP 88 -5.303 4.436 3.463 660 HA ASP 88 HA ASP 88 -6.632 5.205 5.886 661 HB2 ASP 88 1HB ASP 88 -5.113 3.254 5.799 662 HB3 ASP 88 2HB ASP 88 -3.745 4.338 5.490 663 H GLY 89 H GLY 89 -6.589 7.028 6.991 664 HA2 GLY 89 1HA GLY 89 -5.823 9.020 7.834 665 HA3 GLY 89 2HA GLY 89 -4.213 8.554 7.288 666 H ILE 90 H ILE 90 -6.957 8.948 5.074 667 HA ILE 90 HA ILE 90 -5.686 11.480 4.131 668 HB ILE 90 HB ILE 90 -6.870 9.258 2.389 669 HG12 ILE 90 1HG1 ILE 90 -4.645 8.691 3.267 670 HG13 ILE 90 2HG1 ILE 90 -4.638 8.942 1.534 671 HG21 ILE 90 1HG2 ILE 90 -7.369 11.385 1.350 672 HG22 ILE 90 2HG2 ILE 90 -5.964 10.724 0.499 673 HG23 ILE 90 3HG2 ILE 90 -5.748 12.022 1.702 674 HD11 ILE 90 1HD1 ILE 90 -3.414 10.869 1.643 675 HD12 ILE 90 2HD1 ILE 90 -2.698 9.818 2.881 676 HD13 ILE 90 3HD1 ILE 90 -3.791 11.151 3.363 677 H ILE 91 H ILE 91 -6.956 13.126 4.137 678 HA ILE 91 HA ILE 91 -9.899 12.663 3.786 679 HB ILE 91 HB ILE 91 -10.315 14.647 5.284 680 HG12 ILE 91 1HG1 ILE 91 -7.886 14.332 6.864 681 HG13 ILE 91 2HG1 ILE 91 -7.496 14.858 5.249 682 HG21 ILE 91 1HG2 ILE 91 -10.234 13.384 7.350 683 HG22 ILE 91 2HG2 ILE 91 -8.998 12.283 6.689 684 HG23 ILE 91 3HG2 ILE 91 -10.645 12.278 6.021 685 HD11 ILE 91 1HD1 ILE 91 -7.874 16.747 6.802 686 HD12 ILE 91 2HD1 ILE 91 -9.560 16.232 6.989 687 HD13 ILE 91 3HD1 ILE 91 -8.949 16.764 5.397 688 H TRP 92 H TRP 92 -10.506 13.472 1.925 689 HA TRP 92 HA TRP 92 -8.932 15.497 0.575 690 HB2 TRP 92 1HB TRP 92 -11.566 14.141 -0.068 691 HB3 TRP 92 2HB TRP 92 -10.717 15.255 -1.149 692 HD1 TRP 92 HD1 TRP 92 -10.708 11.683 -0.010 693 HE1 TRP 92 HE1 TRP 92 -8.870 10.350 -1.136 694 HE3 TRP 92 HE3 TRP 92 -8.192 15.627 -2.078 695 HZ2 TRP 92 HZ2 TRP 92 -6.639 10.928 -2.779 696 HZ3 TRP 92 HZ3 TRP 92 -6.145 15.154 -3.430 697 HH2 TRP 92 HH2 TRP 92 -5.377 12.794 -3.790 698 H VAL 93 H VAL 93 -9.278 17.599 0.253 699 HA VAL 93 HA VAL 93 -11.886 18.773 1.059 700 HB VAL 93 HB VAL 93 -10.609 20.701 2.135 701 HG11 VAL 93 1HG1 VAL 93 -10.285 19.574 4.299 702 HG12 VAL 93 2HG1 VAL 93 -10.325 17.990 3.495 703 HG13 VAL 93 3HG1 VAL 93 -11.773 19.026 3.503 704 HG21 VAL 93 1HG2 VAL 93 -8.336 20.367 2.928 705 HG22 VAL 93 2HG2 VAL 93 -8.352 20.131 1.169 706 HG23 VAL 93 3HG2 VAL 93 -8.288 18.725 2.254 707 H ALA 94 H ALA 94 -12.357 20.715 -0.043 708 HA ALA 94 HA ALA 94 -10.491 21.879 -1.948 709 HB1 ALA 94 1HB ALA 94 -11.269 19.863 -3.275 710 HB2 ALA 94 2HB ALA 94 -11.867 21.378 -3.973 711 HB3 ALA 94 3HB ALA 94 -12.954 20.361 -3.001 712 H THR 95 H THR 95 -11.687 23.742 -2.985 713 HA THR 95 HA THR 95 -14.053 24.589 -1.372 714 HB THR 95 HB THR 95 -11.924 25.820 -0.701 715 HG1 THR 95 HG1 THR 95 -12.978 27.815 -0.775 716 HG21 THR 95 1HG2 THR 95 -10.981 27.463 -2.206 717 HG22 THR 95 2HG2 THR 95 -12.157 27.061 -3.475 718 HG23 THR 95 3HG2 THR 95 -10.911 25.882 -3.006 719 H GLU 96 H GLU 96 -15.106 26.538 -2.739 720 HA GLU 96 HA GLU 96 -15.904 25.306 -5.187 721 HB2 GLU 96 1HB GLU 96 -16.991 27.141 -3.538 722 HB3 GLU 96 2HB GLU 96 -16.340 28.233 -4.769 723 HG2 GLU 96 1HG GLU 96 -18.587 27.716 -5.370 724 HG3 GLU 96 2HG GLU 96 -17.520 26.847 -6.492 725 H GLY 97 H GLY 97 -15.169 25.505 -7.221 726 HA2 GLY 97 1HA GLY 97 -14.191 26.624 -9.047 727 HA3 GLY 97 2HA GLY 97 -13.464 27.802 -7.948 728 H ALA 98 H ALA 98 -12.759 24.986 -6.460 729 HA ALA 98 HA ALA 98 -10.043 24.984 -7.464 730 HB1 ALA 98 1HB ALA 98 -10.784 24.544 -5.090 731 HB2 ALA 98 2HB ALA 98 -9.633 23.383 -5.773 732 HB3 ALA 98 3HB ALA 98 -11.360 22.956 -5.654 733 H LEU 99 H LEU 99 -9.057 23.481 -8.840 734 HA LEU 99 HA LEU 99 -10.981 21.879 -10.428 735 HB2 LEU 99 1HB LEU 99 -8.133 22.773 -10.879 736 HB3 LEU 99 2HB LEU 99 -8.909 21.564 -11.896 737 HG LEU 99 HG LEU 99 -9.830 24.438 -11.569 738 HD11 LEU 99 1HD1 LEU 99 -9.025 24.626 -13.892 739 HD12 LEU 99 2HD1 LEU 99 -8.481 22.930 -13.838 740 HD13 LEU 99 3HD1 LEU 99 -7.717 24.153 -12.788 741 HD21 LEU 99 1HD2 LEU 99 -11.317 23.906 -13.514 742 HD22 LEU 99 2HD2 LEU 99 -11.773 23.047 -12.035 743 HD23 LEU 99 3HD2 LEU 99 -10.898 22.187 -13.328 744 H ASN 100 H ASN 100 -10.940 19.773 -10.745 745 HA ASN 100 HA ASN 100 -9.508 18.141 -8.758 746 HB2 ASN 100 1HB ASN 100 -11.642 17.561 -10.838 747 HB3 ASN 100 2HB ASN 100 -10.788 16.254 -10.007 748 HD21 ASN 100 1HD2 ASN 100 -13.957 17.285 -8.233 749 HD22 ASN 100 2HD2 ASN 100 -13.620 17.056 -9.931 750 H THR 101 H THR 101 -7.468 19.054 -9.954 751 HA THR 101 HA THR 101 -6.626 16.903 -11.835 752 HB THR 101 HB THR 101 -7.235 19.298 -12.878 753 HG1 THR 101 HG1 THR 101 -6.482 17.796 -14.220 754 HG21 THR 101 1HG2 THR 101 -5.310 20.746 -13.094 755 HG22 THR 101 2HG2 THR 101 -4.325 19.646 -12.095 756 HG23 THR 101 3HG2 THR 101 -5.702 20.541 -11.374 757 HA PRO 102 HA PRO 102 -3.261 16.779 -9.004 758 HB2 PRO 102 1HB PRO 102 -1.122 16.178 -10.605 759 HB3 PRO 102 2HB PRO 102 -2.379 14.968 -10.172 760 HG2 PRO 102 1HG PRO 102 -2.101 16.659 -12.645 761 HG3 PRO 102 2HG PRO 102 -2.411 14.898 -12.510 762 HD2 PRO 102 1HD PRO 102 -4.404 16.634 -12.938 763 HD3 PRO 102 2HD PRO 102 -4.629 15.230 -11.843 764 H LYS 103 H LYS 103 -1.585 17.970 -8.139 765 HA LYS 103 HA LYS 103 -0.222 19.970 -9.809 766 HB2 LYS 103 1HB LYS 103 -0.767 21.772 -8.078 767 HB3 LYS 103 2HB LYS 103 -1.931 21.377 -9.317 768 HG2 LYS 103 1HG LYS 103 -2.969 19.800 -7.430 769 HG3 LYS 103 2HG LYS 103 -2.067 20.872 -6.362 770 HD2 LYS 103 1HD LYS 103 -4.240 21.812 -6.582 771 HD3 LYS 103 2HD LYS 103 -3.149 22.796 -7.546 772 HE2 LYS 103 1HE LYS 103 -3.910 21.196 -9.537 773 HE3 LYS 103 2HE LYS 103 -5.294 20.877 -8.488 774 HZ1 LYS 103 1HZ LYS 103 -4.457 23.613 -9.297 775 HZ2 LYS 103 2HZ LYS 103 -5.873 23.182 -8.563 776 HZ3 LYS 103 3HZ LYS 103 -5.582 22.737 -10.122 777 H ASP 104 H ASP 104 1.054 17.980 -9.120 778 HA ASP 104 HA ASP 104 2.260 17.773 -6.568 779 HB2 ASP 104 1HB ASP 104 4.011 16.561 -7.735 780 HB3 ASP 104 2HB ASP 104 2.452 16.129 -8.457 781 H HIS 105 H HIS 105 2.768 19.928 -9.268 782 HA HIS 105 HA HIS 105 5.336 20.922 -8.673 783 HB2 HIS 105 1HB HIS 105 4.805 22.755 -10.135 784 HB3 HIS 105 2HB HIS 105 4.089 21.283 -10.803 785 HD1 HIS 105 HD1 HIS 105 1.518 21.246 -11.127 786 HD2 HIS 105 HD2 HIS 105 2.892 24.626 -9.053 787 HE1 HIS 105 HE1 HIS 105 -0.464 22.850 -10.907 788 H ILE 106 H ILE 106 2.449 21.451 -6.846 789 HA ILE 106 HA ILE 106 3.498 24.006 -5.772 790 HB ILE 106 HB ILE 106 1.067 22.405 -4.827 791 HG12 ILE 106 1HG1 ILE 106 1.171 24.763 -6.742 792 HG13 ILE 106 2HG1 ILE 106 0.921 23.081 -7.224 793 HG21 ILE 106 1HG2 ILE 106 0.414 24.600 -3.803 794 HG22 ILE 106 2HG2 ILE 106 1.895 25.353 -4.434 795 HG23 ILE 106 3HG2 ILE 106 1.987 24.089 -3.192 796 HD11 ILE 106 1HD1 ILE 106 -1.182 24.019 -7.162 797 HD12 ILE 106 2HD1 ILE 106 -0.887 24.824 -5.608 798 HD13 ILE 106 3HD1 ILE 106 -1.067 23.055 -5.677 799 H GLY 107 H GLY 107 2.787 20.654 -4.702 800 HA2 GLY 107 1HA GLY 107 3.755 21.103 -2.037 801 HA3 GLY 107 2HA GLY 107 3.381 19.551 -2.775 802 H THR 108 H THR 108 5.722 21.392 -4.500 803 HA THR 108 HA THR 108 7.800 19.501 -3.620 804 HB THR 108 HB THR 108 7.351 19.864 -6.056 805 HG1 THR 108 HG1 THR 108 9.921 20.656 -5.118 806 HG21 THR 108 1HG2 THR 108 6.939 22.365 -5.877 807 HG22 THR 108 2HG2 THR 108 8.048 21.874 -7.170 808 HG23 THR 108 3HG2 THR 108 8.692 22.570 -5.669 809 H ARG 109 H ARG 109 6.815 21.929 -1.986 810 HA ARG 109 HA ARG 109 8.869 23.904 -1.899 811 HB2 ARG 109 1HB ARG 109 6.683 24.013 -0.624 812 HB3 ARG 109 2HB ARG 109 7.314 22.772 0.462 813 HG2 ARG 109 1HG ARG 109 9.259 24.361 0.967 814 HG3 ARG 109 2HG ARG 109 8.360 25.606 0.091 815 HD2 ARG 109 1HD ARG 109 7.959 25.842 2.466 816 HD3 ARG 109 2HD ARG 109 6.478 25.297 1.681 817 HE ARG 109 HE ARG 109 6.595 23.271 2.809 818 HH11 ARG 109 1HH1 ARG 109 9.624 25.029 3.421 819 HH12 ARG 109 2HH1 ARG 109 10.064 23.942 4.702 820 HH21 ARG 109 1HH2 ARG 109 7.225 21.993 4.434 821 HH22 ARG 109 2HH2 ARG 109 8.752 22.242 5.257 822 H ASN 110 H ASN 110 10.904 23.905 -1.051 823 HA ASN 110 HA ASN 110 11.857 21.327 0.113 824 HB2 ASN 110 1HB ASN 110 12.950 22.797 -1.929 825 HB3 ASN 110 2HB ASN 110 13.740 23.477 -0.498 826 HD21 ASN 110 1HD2 ASN 110 14.956 19.979 -1.855 827 HD22 ASN 110 2HD2 ASN 110 13.705 20.889 -2.662 828 HA PRO 111 HA PRO 111 11.951 23.734 3.852 829 HB2 PRO 111 1HB PRO 111 13.336 22.072 5.503 830 HB3 PRO 111 2HB PRO 111 11.675 21.689 4.938 831 HG2 PRO 111 1HG PRO 111 14.309 20.748 3.836 832 HG3 PRO 111 2HG PRO 111 12.864 19.782 4.280 833 HD2 PRO 111 1HD PRO 111 13.404 20.541 1.742 834 HD3 PRO 111 2HD PRO 111 11.731 20.448 2.323 835 H ALA 112 H ALA 112 14.838 22.728 2.144 836 HA ALA 112 HA ALA 112 16.657 24.285 3.821 837 HB1 ALA 112 1HB ALA 112 17.413 22.273 2.582 838 HB2 ALA 112 2HB ALA 112 18.300 23.726 2.062 839 HB3 ALA 112 3HB ALA 112 17.001 23.069 1.041 840 H ASN 113 H ASN 113 14.554 24.828 1.118 841 HA ASN 113 HA ASN 113 15.986 27.309 0.347 842 HB2 ASN 113 1HB ASN 113 13.706 25.785 -0.963 843 HB3 ASN 113 2HB ASN 113 14.409 27.275 -1.588 844 HD21 ASN 113 1HD2 ASN 113 15.955 24.241 -3.183 845 HD22 ASN 113 2HD2 ASN 113 14.300 24.719 -2.891 846 H ASN 114 H ASN 114 13.090 26.280 2.024 847 HA ASN 114 HA ASN 114 12.417 29.073 2.570 848 HB2 ASN 114 1HB ASN 114 11.269 28.892 0.477 849 HB3 ASN 114 2HB ASN 114 10.602 27.303 0.908 850 HD21 ASN 114 1HD2 ASN 114 7.859 28.585 2.532 851 HD22 ASN 114 2HD2 ASN 114 8.661 27.280 1.694 852 H ALA 115 H ALA 115 10.994 29.349 4.293 853 HA ALA 115 HA ALA 115 10.831 27.033 6.096 854 HB1 ALA 115 1HB ALA 115 11.582 29.234 6.937 855 HB2 ALA 115 2HB ALA 115 10.088 28.712 7.752 856 HB3 ALA 115 3HB ALA 115 10.015 29.948 6.475 857 H ALA 116 H ALA 116 8.962 26.149 6.929 858 HA ALA 116 HA ALA 116 6.627 26.137 5.257 859 HB1 ALA 116 1HB ALA 116 5.697 24.605 6.917 860 HB2 ALA 116 2HB ALA 116 6.956 25.056 8.090 861 HB3 ALA 116 3HB ALA 116 7.392 24.169 6.611 862 H ILE 117 H ILE 117 4.560 26.865 5.682 863 HA ILE 117 HA ILE 117 4.429 29.363 7.247 864 HB ILE 117 HB ILE 117 2.392 27.981 5.470 865 HG12 ILE 117 1HG1 ILE 117 3.878 30.454 4.654 866 HG13 ILE 117 2HG1 ILE 117 4.689 28.902 4.505 867 HG21 ILE 117 1HG2 ILE 117 1.323 30.243 5.349 868 HG22 ILE 117 2HG2 ILE 117 2.500 30.839 6.540 869 HG23 ILE 117 3HG2 ILE 117 1.313 29.595 6.992 870 HD11 ILE 117 1HD1 ILE 117 3.596 29.500 2.430 871 HD12 ILE 117 2HD1 ILE 117 2.033 29.597 3.271 872 HD13 ILE 117 3HD1 ILE 117 2.873 28.033 3.138 873 H VAL 118 H VAL 118 3.184 29.546 9.199 874 HA VAL 118 HA VAL 118 2.295 27.164 10.582 875 HB VAL 118 HB VAL 118 1.531 30.116 10.939 876 HG11 VAL 118 1HG1 VAL 118 0.762 29.422 13.208 877 HG12 VAL 118 2HG1 VAL 118 0.987 27.723 12.739 878 HG13 VAL 118 3HG1 VAL 118 -0.221 28.727 11.904 879 HG21 VAL 118 1HG2 VAL 118 3.088 29.994 12.892 880 HG22 VAL 118 2HG2 VAL 118 3.916 29.708 11.348 881 HG23 VAL 118 3HG2 VAL 118 3.525 28.338 12.414 882 H LEU 119 H LEU 119 0.517 25.988 10.196 883 HA LEU 119 HA LEU 119 -1.207 26.660 8.004 884 HB2 LEU 119 1HB LEU 119 -0.550 24.374 8.886 885 HB3 LEU 119 2HB LEU 119 -1.707 24.607 10.184 886 HG LEU 119 HG LEU 119 -2.586 24.832 7.298 887 HD11 LEU 119 1HD1 LEU 119 -3.008 22.442 7.241 888 HD12 LEU 119 2HD1 LEU 119 -2.309 22.247 8.867 889 HD13 LEU 119 3HD1 LEU 119 -1.283 22.746 7.507 890 HD21 LEU 119 1HD2 LEU 119 -4.334 25.426 8.805 891 HD22 LEU 119 2HD2 LEU 119 -3.919 24.132 9.938 892 HD23 LEU 119 3HD2 LEU 119 -4.677 23.742 8.381 893 H GLN 120 H GLN 120 -3.072 27.740 7.941 894 HA GLN 120 HA GLN 120 -4.509 28.436 10.462 895 HB2 GLN 120 1HB GLN 120 -3.684 30.271 8.194 896 HB3 GLN 120 2HB GLN 120 -4.885 30.696 9.420 897 HG2 GLN 120 1HG GLN 120 -3.319 30.930 11.082 898 HG3 GLN 120 2HG GLN 120 -2.166 29.847 10.300 899 HE21 GLN 120 1HE2 GLN 120 -0.610 32.321 8.380 900 HE22 GLN 120 2HE2 GLN 120 -0.807 30.605 8.685 901 H LEU 121 H LEU 121 -6.773 28.788 10.051 902 HA LEU 121 HA LEU 121 -7.632 27.661 7.396 903 HB2 LEU 121 1HB LEU 121 -8.777 27.577 10.157 904 HB3 LEU 121 2HB LEU 121 -9.891 27.588 8.810 905 HG LEU 121 HG LEU 121 -7.740 25.500 9.244 906 HD11 LEU 121 1HD1 LEU 121 -9.387 25.432 11.010 907 HD12 LEU 121 2HD1 LEU 121 -9.738 24.101 9.885 908 HD13 LEU 121 3HD1 LEU 121 -10.717 25.583 9.850 909 HD21 LEU 121 1HD2 LEU 121 -8.382 25.654 6.872 910 HD22 LEU 121 2HD2 LEU 121 -10.110 25.624 7.301 911 HD23 LEU 121 3HD2 LEU 121 -9.087 24.192 7.580 912 HA PRO 122 HA PRO 122 -9.274 31.603 6.500 913 HB2 PRO 122 1HB PRO 122 -11.199 31.048 4.659 914 HB3 PRO 122 2HB PRO 122 -9.442 30.826 4.306 915 HG2 PRO 122 1HG PRO 122 -11.476 28.797 5.195 916 HG3 PRO 122 2HG PRO 122 -10.341 28.724 3.808 917 HD2 PRO 122 1HD PRO 122 -9.787 27.548 6.164 918 HD3 PRO 122 2HD PRO 122 -8.500 28.337 5.192 919 H GLN 123 H GLN 123 -11.189 32.942 6.597 920 HA GLN 123 HA GLN 123 -12.739 32.581 8.907 921 HB2 GLN 123 1HB GLN 123 -12.368 34.736 7.690 922 HB3 GLN 123 2HB GLN 123 -13.430 34.164 6.398 923 HG2 GLN 123 1HG GLN 123 -15.312 34.056 8.000 924 HG3 GLN 123 2HG GLN 123 -14.249 34.667 9.279 925 HE21 GLN 123 1HE2 GLN 123 -16.165 37.236 6.937 926 HE22 GLN 123 2HE2 GLN 123 -16.569 35.546 7.118 927 H GLY 124 H GLY 124 -14.496 31.430 9.375 928 HA2 GLY 124 1HA GLY 124 -16.689 30.594 8.763 929 HA3 GLY 124 2HA GLY 124 -16.095 30.293 7.122 930 H THR 125 H THR 125 -13.463 29.171 8.253 931 HA THR 125 HA THR 125 -14.653 26.549 9.059 932 HB THR 125 HB THR 125 -11.857 26.942 7.971 933 HG1 THR 125 HG1 THR 125 -13.371 27.730 6.449 934 HG21 THR 125 1HG2 THR 125 -12.497 24.769 9.097 935 HG22 THR 125 2HG2 THR 125 -12.102 24.586 7.385 936 HG23 THR 125 3HG2 THR 125 -13.792 24.584 7.911 937 H THR 126 H THR 126 -14.210 25.666 10.941 938 HA THR 126 HA THR 126 -11.983 26.795 12.563 939 HB THR 126 HB THR 126 -13.456 25.926 14.519 940 HG1 THR 126 HG1 THR 126 -15.680 25.941 13.998 941 HG21 THR 126 1HG2 THR 126 -14.385 28.336 12.915 942 HG22 THR 126 2HG2 THR 126 -13.005 28.315 14.042 943 HG23 THR 126 3HG2 THR 126 -14.655 28.048 14.651 944 H LEU 127 H LEU 127 -10.778 25.321 13.743 945 HA LEU 127 HA LEU 127 -10.576 22.678 12.573 946 HB2 LEU 127 1HB LEU 127 -9.430 23.772 15.144 947 HB3 LEU 127 2HB LEU 127 -8.966 22.257 14.428 948 HG LEU 127 HG LEU 127 -8.520 24.925 13.076 949 HD11 LEU 127 1HD1 LEU 127 -6.216 24.801 13.809 950 HD12 LEU 127 2HD1 LEU 127 -6.525 23.250 14.633 951 HD13 LEU 127 3HD1 LEU 127 -7.277 24.743 15.231 952 HD21 LEU 127 1HD2 LEU 127 -6.947 23.654 11.684 953 HD22 LEU 127 2HD2 LEU 127 -8.572 22.958 11.575 954 HD23 LEU 127 3HD2 LEU 127 -7.338 22.164 12.576 955 HA PRO 128 HA PRO 128 -13.542 20.788 15.210 956 HB2 PRO 128 1HB PRO 128 -12.724 18.185 15.342 957 HB3 PRO 128 2HB PRO 128 -13.373 18.919 13.841 958 HG2 PRO 128 1HG PRO 128 -10.560 18.431 14.648 959 HG3 PRO 128 2HG PRO 128 -11.353 18.148 13.078 960 HD2 PRO 128 1HD PRO 128 -9.787 20.340 13.660 961 HD3 PRO 128 2HD PRO 128 -11.098 20.384 12.452 962 H LYS 129 H LYS 129 -13.750 19.533 17.326 963 HA LYS 129 HA LYS 129 -12.280 20.974 19.273 964 HB2 LYS 129 1HB LYS 129 -14.554 19.948 19.551 965 HB3 LYS 129 2HB LYS 129 -13.776 18.364 19.689 966 HG2 LYS 129 1HG LYS 129 -12.562 19.126 21.694 967 HG3 LYS 129 2HG LYS 129 -13.299 20.734 21.534 968 HD2 LYS 129 1HD LYS 129 -15.538 19.705 21.773 969 HD3 LYS 129 2HD LYS 129 -14.766 18.122 22.009 970 HE2 LYS 129 1HE LYS 129 -13.588 18.997 24.004 971 HE3 LYS 129 2HE LYS 129 -14.349 20.583 23.760 972 HZ1 LYS 129 1HZ LYS 129 -15.534 19.273 25.407 973 HZ2 LYS 129 2HZ LYS 129 -15.802 18.059 24.321 974 HZ3 LYS 129 3HZ LYS 129 -16.504 19.534 24.099 975 H GLY 130 H GLY 130 -10.359 20.734 20.137 976 HA2 GLY 130 1HA GLY 130 -8.666 19.506 21.224 977 HA3 GLY 130 2HA GLY 130 -9.200 18.039 20.409 978 H PHE 131 H PHE 131 -9.036 20.300 17.977 979 HA PHE 131 HA PHE 131 -6.314 19.415 17.294 980 HB2 PHE 131 1HB PHE 131 -8.806 19.828 15.836 981 HB3 PHE 131 2HB PHE 131 -7.460 20.713 15.116 982 HD1 PHE 131 HD1 PHE 131 -9.011 17.485 15.536 983 HD2 PHE 131 HD2 PHE 131 -5.339 19.457 14.545 984 HE1 PHE 131 HE1 PHE 131 -8.231 15.434 14.390 985 HE2 PHE 131 HE2 PHE 131 -4.525 17.378 13.417 986 HZ PHE 131 HZ PHE 131 -5.988 15.379 13.321 987 H TYR 132 H TYR 132 -4.775 20.754 16.928 988 HA TYR 132 HA TYR 132 -5.269 23.656 16.643 989 HB2 TYR 132 1HB TYR 132 -3.549 24.249 18.246 990 HB3 TYR 132 2HB TYR 132 -4.815 23.316 19.047 991 HD1 TYR 132 HD1 TYR 132 -4.354 20.884 19.692 992 HD2 TYR 132 HD2 TYR 132 -1.264 23.483 18.179 993 HE1 TYR 132 HE1 TYR 132 -2.616 19.379 20.636 994 HE2 TYR 132 HE2 TYR 132 0.466 21.958 19.125 995 HH TYR 132 HH TYR 132 -0.391 19.047 21.005 996 H ALA 133 H ALA 133 -3.335 24.737 15.724 997 HA ALA 133 HA ALA 133 -1.928 22.859 13.906 998 HB1 ALA 133 1HB ALA 133 -3.209 24.718 12.861 999 HB2 ALA 133 2HB ALA 133 -1.467 24.859 12.540 1000 HB3 ALA 133 3HB ALA 133 -2.235 25.887 13.758 1001 H GLU 134 H GLU 134 0.324 22.989 13.582 1002 HA GLU 134 HA GLU 134 1.798 23.546 16.039 1003 HB2 GLU 134 1HB GLU 134 2.473 21.695 14.613 1004 HB3 GLU 134 2HB GLU 134 2.604 22.760 13.234 1005 HG2 GLU 134 1HG GLU 134 4.817 22.463 13.771 1006 HG3 GLU 134 2HG GLU 134 4.471 23.969 14.628 1007 H GLY 135 H GLY 135 2.774 25.413 16.591 1008 HA2 GLY 135 1HA GLY 135 3.851 27.473 16.234 1009 HA3 GLY 135 2HA GLY 135 3.433 27.403 14.516 1010 H SER 136 H SER 136 0.635 26.604 16.033 1011 HA SER 136 HA SER 136 -0.254 29.460 16.276 1012 HB2 SER 136 1HB SER 136 -1.252 28.293 14.316 1013 HB3 SER 136 2HB SER 136 -1.840 27.018 15.397 1014 HG SER 136 HG SER 136 -3.404 28.704 14.852 1015 H ARG 137 H ARG 137 -2.142 29.672 17.749 1016 HA ARG 137 HA ARG 137 -1.662 28.189 20.263 1017 HB2 ARG 137 1HB ARG 137 -3.663 30.352 19.543 1018 HB3 ARG 137 2HB ARG 137 -3.332 29.727 21.167 1019 HG2 ARG 137 1HG ARG 137 -0.876 30.424 20.670 1020 HG3 ARG 137 2HG ARG 137 -1.605 31.452 19.410 1021 HD2 ARG 137 1HD ARG 137 -2.432 31.360 22.297 1022 HD3 ARG 137 2HD ARG 137 -1.328 32.570 21.605 1023 HE ARG 137 HE ARG 137 -3.715 32.539 20.068 1024 HH11 ARG 137 1HH1 ARG 137 -2.690 33.523 23.299 1025 HH12 ARG 137 2HH1 ARG 137 -3.945 34.726 23.430 1026 HH21 ARG 137 1HH2 ARG 137 -5.289 34.083 20.306 1027 HH22 ARG 137 2HH2 ARG 137 -5.385 35.041 21.759 1028 H GLY 138 H GLY 138 -3.625 28.062 17.497 1029 HA2 GLY 138 1HA GLY 138 -5.088 26.192 17.052 1030 HA3 GLY 138 2HA GLY 138 -5.485 26.112 18.790 1031 H GLY 139 H GLY 139 -7.674 26.240 17.261 1032 HA2 GLY 139 1HA GLY 139 -9.606 27.570 17.105 1033 HA3 GLY 139 2HA GLY 139 -8.680 28.954 17.729 1034 H SER 140 H SER 140 -8.228 26.757 15.005 1035 HA SER 140 HA SER 140 -8.103 26.990 12.749 1036 HB2 SER 140 1HB SER 140 -8.975 29.871 13.133 1037 HB3 SER 140 2HB SER 140 -8.764 29.056 11.580 1038 HG SER 140 HG SER 140 -10.820 28.615 11.930 Start of MODEL 37 1 H1 GLY 1 1H GLY 1 -3.738 0.053 8.775 2 H2 GLY 1 2H GLY 1 -4.042 0.169 7.157 3 H3 GLY 1 3H GLY 1 -4.004 1.531 8.088 4 HA2 GLY 1 1HA GLY 1 -1.685 1.264 8.527 5 HA3 GLY 1 2HA GLY 1 -1.706 -0.230 7.567 6 H ALA 2 H ALA 2 -0.085 2.203 7.092 7 HA ALA 2 HA ALA 2 -1.031 2.749 4.341 8 HB1 ALA 2 1HB ALA 2 -0.230 4.961 6.289 9 HB2 ALA 2 2HB ALA 2 -1.913 4.574 5.879 10 HB3 ALA 2 3HB ALA 2 -0.812 5.157 4.615 11 H MET 3 H MET 3 0.663 3.802 3.054 12 HA MET 3 HA MET 3 3.434 3.608 4.030 13 HB2 MET 3 1HB MET 3 2.680 1.431 2.816 14 HB3 MET 3 2HB MET 3 2.501 2.432 1.371 15 HG2 MET 3 1HG MET 3 4.865 2.951 1.380 16 HG3 MET 3 2HG MET 3 5.080 2.157 2.954 17 HE1 MET 3 1HE MET 3 6.762 -0.016 -0.074 18 HE2 MET 3 2HE MET 3 7.164 1.042 1.299 19 HE3 MET 3 3HE MET 3 6.416 1.728 -0.166 20 H GLY 4 H GLY 4 4.590 4.863 2.014 21 HA2 GLY 4 1HA GLY 4 4.482 6.705 0.544 22 HA3 GLY 4 2HA GLY 4 2.744 6.834 0.830 23 H LEU 5 H LEU 5 5.874 7.130 2.537 24 HA LEU 5 HA LEU 5 4.713 9.293 4.223 25 HB2 LEU 5 1HB LEU 5 7.204 7.591 4.392 26 HB3 LEU 5 2HB LEU 5 7.111 9.127 5.232 27 HG LEU 5 HG LEU 5 5.094 8.296 6.463 28 HD11 LEU 5 1HD1 LEU 5 4.777 5.824 6.617 29 HD12 LEU 5 2HD1 LEU 5 5.891 5.615 5.244 30 HD13 LEU 5 3HD1 LEU 5 4.344 6.468 5.023 31 HD21 LEU 5 1HD2 LEU 5 6.434 6.933 8.022 32 HD22 LEU 5 2HD2 LEU 5 7.356 8.331 7.430 33 HD23 LEU 5 3HD2 LEU 5 7.677 6.709 6.768 34 HA PRO 6 HA PRO 6 6.721 12.050 1.455 35 HB2 PRO 6 1HB PRO 6 6.835 14.353 2.887 36 HB3 PRO 6 2HB PRO 6 5.280 13.671 2.307 37 HG2 PRO 6 1HG PRO 6 6.575 13.410 5.015 38 HG3 PRO 6 2HG PRO 6 4.897 13.900 4.610 39 HD2 PRO 6 1HD PRO 6 5.532 11.354 5.323 40 HD3 PRO 6 2HD PRO 6 4.260 11.710 4.100 41 H ASN 7 H ASN 7 8.727 12.961 0.968 42 HA ASN 7 HA ASN 7 10.772 13.207 3.075 43 HB2 ASN 7 1HB ASN 7 10.839 10.799 2.318 44 HB3 ASN 7 2HB ASN 7 11.262 11.370 0.700 45 HD21 ASN 7 1HD2 ASN 7 14.631 11.651 1.448 46 HD22 ASN 7 2HD2 ASN 7 13.359 11.544 0.248 47 H ASN 8 H ASN 8 10.493 13.008 -0.521 48 HA ASN 8 HA ASN 8 12.406 15.233 -0.781 49 HB2 ASN 8 1HB ASN 8 10.923 13.550 -2.853 50 HB3 ASN 8 2HB ASN 8 12.120 14.796 -3.230 51 HD21 ASN 8 1HD2 ASN 8 14.747 12.571 -3.034 52 HD22 ASN 8 2HD2 ASN 8 14.032 14.012 -3.714 53 H THR 9 H THR 9 9.146 15.028 -0.228 54 HA THR 9 HA THR 9 8.601 17.639 -1.520 55 HB THR 9 HB THR 9 6.213 16.743 -1.849 56 HG1 THR 9 HG1 THR 9 5.932 14.549 -1.773 57 HG21 THR 9 1HG2 THR 9 6.696 15.614 -3.955 58 HG22 THR 9 2HG2 THR 9 8.364 15.281 -3.433 59 HG23 THR 9 3HG2 THR 9 7.841 16.956 -3.738 60 H ALA 10 H ALA 10 8.172 19.003 0.099 61 HA ALA 10 HA ALA 10 7.164 17.877 2.662 62 HB1 ALA 10 1HB ALA 10 9.414 19.029 2.651 63 HB2 ALA 10 2HB ALA 10 8.217 19.733 3.759 64 HB3 ALA 10 3HB ALA 10 8.567 20.531 2.208 65 H SER 11 H SER 11 5.446 18.848 3.693 66 HA SER 11 HA SER 11 3.409 20.018 2.053 67 HB2 SER 11 1HB SER 11 2.269 20.413 4.249 68 HB3 SER 11 2HB SER 11 2.868 18.753 4.078 69 HG SER 11 HG SER 11 3.581 20.701 5.869 70 H TRP 12 H TRP 12 2.733 22.164 1.873 71 HA TRP 12 HA TRP 12 4.720 24.186 2.233 72 HB2 TRP 12 1HB TRP 12 2.025 24.035 1.130 73 HB3 TRP 12 2HB TRP 12 2.369 25.569 1.953 74 HD1 TRP 12 HD1 TRP 12 3.093 23.746 -1.215 75 HE1 TRP 12 HE1 TRP 12 4.707 25.001 -2.696 76 HE3 TRP 12 HE3 TRP 12 4.611 27.203 2.216 77 HZ2 TRP 12 HZ2 TRP 12 6.480 27.221 -2.439 78 HZ3 TRP 12 HZ3 TRP 12 6.314 28.905 1.529 79 HH2 TRP 12 HH2 TRP 12 7.255 28.882 -0.785 80 H PHE 13 H PHE 13 2.273 22.916 4.303 81 HA PHE 13 HA PHE 13 2.584 25.253 6.117 82 HB2 PHE 13 1HB PHE 13 0.202 23.398 5.875 83 HB3 PHE 13 2HB PHE 13 0.290 24.916 6.776 84 HD1 PHE 13 HD1 PHE 13 -0.180 23.339 3.502 85 HD2 PHE 13 HD2 PHE 13 0.252 27.080 5.564 86 HE1 PHE 13 HE1 PHE 13 -1.006 24.535 1.484 87 HE2 PHE 13 HE2 PHE 13 -0.543 28.288 3.543 88 HZ PHE 13 HZ PHE 13 -1.164 27.009 1.498 89 H THR 14 H THR 14 2.292 24.793 8.373 90 HA THR 14 HA THR 14 3.884 22.558 9.226 91 HB THR 14 HB THR 14 3.265 23.339 11.505 92 HG1 THR 14 HG1 THR 14 1.880 25.068 11.726 93 HG21 THR 14 1HG2 THR 14 4.020 25.604 9.616 94 HG22 THR 14 2HG2 THR 14 5.146 24.412 10.308 95 HG23 THR 14 3HG2 THR 14 4.297 25.555 11.367 96 H ALA 15 H ALA 15 3.156 21.089 11.060 97 HA ALA 15 HA ALA 15 0.846 19.653 9.971 98 HB1 ALA 15 1HB ALA 15 3.016 18.578 10.567 99 HB2 ALA 15 2HB ALA 15 1.605 17.821 11.331 100 HB3 ALA 15 3HB ALA 15 2.665 18.907 12.273 101 H LEU 16 H LEU 16 -1.159 19.647 10.723 102 HA LEU 16 HA LEU 16 -1.933 21.002 13.183 103 HB2 LEU 16 1HB LEU 16 -3.289 19.010 11.339 104 HB3 LEU 16 2HB LEU 16 -4.030 19.533 12.834 105 HG LEU 16 HG LEU 16 -3.373 21.319 10.490 106 HD11 LEU 16 1HD1 LEU 16 -5.808 21.402 10.207 107 HD12 LEU 16 2HD1 LEU 16 -6.026 20.308 11.593 108 HD13 LEU 16 3HD1 LEU 16 -5.235 19.725 10.111 109 HD21 LEU 16 1HD2 LEU 16 -4.788 22.973 11.787 110 HD22 LEU 16 2HD2 LEU 16 -3.202 22.633 12.494 111 HD23 LEU 16 3HD2 LEU 16 -4.664 21.887 13.187 112 H THR 17 H THR 17 -2.468 19.991 15.190 113 HA THR 17 HA THR 17 -1.410 17.197 15.449 114 HB THR 17 HB THR 17 -1.167 19.469 17.453 115 HG1 THR 17 HG1 THR 17 0.115 19.636 15.487 116 HG21 THR 17 1HG2 THR 17 -1.187 17.327 18.549 117 HG22 THR 17 2HG2 THR 17 0.490 17.910 18.482 118 HG23 THR 17 3HG2 THR 17 -0.054 16.648 17.352 119 H GLN 18 H GLN 18 -2.685 15.777 16.457 120 HA GLN 18 HA GLN 18 -5.402 16.695 17.159 121 HB2 GLN 18 1HB GLN 18 -4.905 14.815 15.559 122 HB3 GLN 18 2HB GLN 18 -4.209 13.912 16.893 123 HG2 GLN 18 1HG GLN 18 -6.987 14.826 17.387 124 HG3 GLN 18 2HG GLN 18 -6.812 13.724 16.019 125 HE21 GLN 18 1HE2 GLN 18 -6.998 11.013 18.169 126 HE22 GLN 18 2HE2 GLN 18 -7.572 11.834 16.726 127 H HIS 19 H HIS 19 -6.343 16.581 19.091 128 HA HIS 19 HA HIS 19 -5.245 14.672 21.087 129 HB2 HIS 19 1HB HIS 19 -4.413 16.788 21.908 130 HB3 HIS 19 2HB HIS 19 -5.950 17.587 21.571 131 HD1 HIS 19 HD1 HIS 19 -4.773 14.697 23.835 132 HD2 HIS 19 HD2 HIS 19 -7.512 17.832 23.704 133 HE1 HIS 19 HE1 HIS 19 -6.022 14.677 26.039 134 H GLY 20 H GLY 20 -6.906 13.214 20.737 135 HA2 GLY 20 1HA GLY 20 -9.424 13.572 21.881 136 HA3 GLY 20 2HA GLY 20 -9.599 14.112 20.200 137 H LYS 21 H LYS 21 -11.048 12.375 19.784 138 HA LYS 21 HA LYS 21 -9.704 9.699 19.617 139 HB2 LYS 21 1HB LYS 21 -12.610 10.436 20.065 140 HB3 LYS 21 2HB LYS 21 -12.057 8.821 19.623 141 HG2 LYS 21 1HG LYS 21 -10.519 8.950 21.696 142 HG3 LYS 21 2HG LYS 21 -11.485 10.357 22.172 143 HD2 LYS 21 1HD LYS 21 -12.460 8.522 23.306 144 HD3 LYS 21 2HD LYS 21 -13.544 8.826 21.933 145 HE2 LYS 21 1HE LYS 21 -12.447 6.986 20.667 146 HE3 LYS 21 2HE LYS 21 -11.333 6.716 22.021 147 HZ1 LYS 21 1HZ LYS 21 -13.170 5.152 22.055 148 HZ2 LYS 21 2HZ LYS 21 -14.276 6.372 22.132 149 HZ3 LYS 21 3HZ LYS 21 -13.239 6.118 23.390 150 H GLU 22 H GLU 22 -11.374 12.174 17.853 151 HA GLU 22 HA GLU 22 -12.048 10.495 15.579 152 HB2 GLU 22 1HB GLU 22 -12.342 12.737 14.446 153 HB3 GLU 22 2HB GLU 22 -13.364 12.455 15.854 154 HG2 GLU 22 1HG GLU 22 -11.916 13.843 17.251 155 HG3 GLU 22 2HG GLU 22 -10.780 14.054 15.903 156 H ASP 23 H ASP 23 -11.037 10.697 13.490 157 HA ASP 23 HA ASP 23 -8.149 10.646 13.701 158 HB2 ASP 23 1HB ASP 23 -9.846 9.326 12.118 159 HB3 ASP 23 2HB ASP 23 -9.630 10.717 11.055 160 H LEU 24 H LEU 24 -10.374 12.525 11.666 161 HA LEU 24 HA LEU 24 -9.850 15.139 12.431 162 HB2 LEU 24 1HB LEU 24 -7.528 14.959 11.579 163 HB3 LEU 24 2HB LEU 24 -8.102 14.253 10.078 164 HG LEU 24 HG LEU 24 -9.111 16.379 9.419 165 HD11 LEU 24 1HD1 LEU 24 -8.744 18.441 10.653 166 HD12 LEU 24 2HD1 LEU 24 -7.948 17.547 11.967 167 HD13 LEU 24 3HD1 LEU 24 -9.669 17.305 11.635 168 HD21 LEU 24 1HD2 LEU 24 -7.074 17.657 9.059 169 HD22 LEU 24 2HD2 LEU 24 -6.756 15.921 8.866 170 HD23 LEU 24 3HD2 LEU 24 -6.255 16.754 10.355 171 H LYS 25 H LYS 25 -11.439 16.351 11.252 172 HA LYS 25 HA LYS 25 -12.234 15.331 8.626 173 HB2 LYS 25 1HB LYS 25 -13.640 14.007 10.175 174 HB3 LYS 25 2HB LYS 25 -14.227 15.497 10.922 175 HG2 LYS 25 1HG LYS 25 -15.904 14.608 9.384 176 HG3 LYS 25 2HG LYS 25 -15.292 16.154 8.782 177 HD2 LYS 25 1HD LYS 25 -13.768 14.916 7.229 178 HD3 LYS 25 2HD LYS 25 -14.480 13.388 7.785 179 HE2 LYS 25 1HE LYS 25 -16.656 14.048 6.934 180 HE3 LYS 25 2HE LYS 25 -16.063 15.686 6.574 181 HZ1 LYS 25 1HZ LYS 25 -14.590 14.772 4.931 182 HZ2 LYS 25 2HZ LYS 25 -16.122 14.264 4.603 183 HZ3 LYS 25 3HZ LYS 25 -15.039 13.224 5.286 184 H PHE 26 H PHE 26 -12.794 16.901 7.290 185 HA PHE 26 HA PHE 26 -13.649 19.512 8.467 186 HB2 PHE 26 1HB PHE 26 -11.874 18.966 6.064 187 HB3 PHE 26 2HB PHE 26 -12.659 20.522 6.358 188 HD1 PHE 26 HD1 PHE 26 -12.372 20.989 9.212 189 HD2 PHE 26 HD2 PHE 26 -9.522 19.282 6.438 190 HE1 PHE 26 HE1 PHE 26 -10.516 21.701 10.678 191 HE2 PHE 26 HE2 PHE 26 -7.681 19.970 7.949 192 HZ PHE 26 HZ PHE 26 -8.163 21.188 10.054 193 HA PRO 27 HA PRO 27 -17.182 18.795 5.903 194 HB2 PRO 27 1HB PRO 27 -18.273 21.292 5.750 195 HB3 PRO 27 2HB PRO 27 -18.213 20.364 7.282 196 HG2 PRO 27 1HG PRO 27 -16.453 22.533 6.316 197 HG3 PRO 27 2HG PRO 27 -17.178 22.297 7.917 198 HD2 PRO 27 1HD PRO 27 -14.586 21.638 7.283 199 HD3 PRO 27 2HD PRO 27 -15.541 20.815 8.565 200 H ARG 28 H ARG 28 -18.278 19.469 3.842 201 HA ARG 28 HA ARG 28 -16.371 19.606 1.689 202 HB2 ARG 28 1HB ARG 28 -18.529 18.426 1.569 203 HB3 ARG 28 2HB ARG 28 -19.375 19.978 1.653 204 HG2 ARG 28 1HG ARG 28 -18.537 20.662 -0.472 205 HG3 ARG 28 2HG ARG 28 -17.368 19.323 -0.524 206 HD2 ARG 28 1HD ARG 28 -19.113 17.715 -0.696 207 HD3 ARG 28 2HD ARG 28 -20.351 18.951 -0.400 208 HE ARG 28 HE ARG 28 -18.858 19.744 -2.672 209 HH11 ARG 28 1HH1 ARG 28 -21.169 17.212 -1.817 210 HH12 ARG 28 2HH1 ARG 28 -21.738 17.054 -3.456 211 HH21 ARG 28 1HH2 ARG 28 -19.645 19.492 -4.734 212 HH22 ARG 28 2HH2 ARG 28 -20.889 18.320 -5.073 213 H GLY 29 H GLY 29 -15.689 21.311 0.433 214 HA2 GLY 29 1HA GLY 29 -15.769 23.439 -0.527 215 HA3 GLY 29 2HA GLY 29 -17.157 23.853 0.498 216 H GLN 30 H GLN 30 -14.943 22.420 2.462 217 HA GLN 30 HA GLN 30 -13.486 24.931 3.137 218 HB2 GLN 30 1HB GLN 30 -15.309 23.233 4.846 219 HB3 GLN 30 2HB GLN 30 -14.097 24.286 5.556 220 HG2 GLN 30 1HG GLN 30 -15.143 26.234 4.676 221 HG3 GLN 30 2HG GLN 30 -16.300 25.257 3.745 222 HE21 GLN 30 1HE2 GLN 30 -16.739 25.637 7.801 223 HE22 GLN 30 2HE2 GLN 30 -15.156 25.856 7.057 224 H GLY 31 H GLY 31 -12.035 24.281 5.131 225 HA2 GLY 31 1HA GLY 31 -10.804 22.579 6.253 226 HA3 GLY 31 2HA GLY 31 -11.110 21.473 4.909 227 H VAL 32 H VAL 32 -10.408 23.548 2.892 228 HA VAL 32 HA VAL 32 -7.577 23.024 2.777 229 HB VAL 32 HB VAL 32 -9.227 25.157 1.300 230 HG11 VAL 32 1HG1 VAL 32 -6.849 25.685 1.234 231 HG12 VAL 32 2HG1 VAL 32 -7.371 25.095 -0.342 232 HG13 VAL 32 3HG1 VAL 32 -6.462 24.020 0.730 233 HG21 VAL 32 1HG2 VAL 32 -9.268 23.565 -0.574 234 HG22 VAL 32 2HG2 VAL 32 -10.051 22.866 0.856 235 HG23 VAL 32 3HG2 VAL 32 -8.402 22.364 0.407 236 HA PRO 33 HA PRO 33 -6.636 26.212 5.732 237 HB2 PRO 33 1HB PRO 33 -3.918 26.122 5.554 238 HB3 PRO 33 2HB PRO 33 -4.870 24.803 6.304 239 HG2 PRO 33 1HG PRO 33 -3.818 25.010 3.520 240 HG3 PRO 33 2HG PRO 33 -3.643 23.666 4.685 241 HD2 PRO 33 1HD PRO 33 -5.485 23.552 2.807 242 HD3 PRO 33 2HD PRO 33 -5.815 22.968 4.463 243 H ILE 34 H ILE 34 -5.446 28.274 5.802 244 HA ILE 34 HA ILE 34 -6.004 29.856 3.467 245 HB ILE 34 HB ILE 34 -4.312 30.456 5.937 246 HG12 ILE 34 1HG1 ILE 34 -7.076 31.419 5.132 247 HG13 ILE 34 2HG1 ILE 34 -6.769 30.070 6.219 248 HG21 ILE 34 1HG2 ILE 34 -4.395 32.829 5.242 249 HG22 ILE 34 2HG2 ILE 34 -5.262 32.378 3.757 250 HG23 ILE 34 3HG2 ILE 34 -3.574 31.866 4.009 251 HD11 ILE 34 1HD1 ILE 34 -7.287 32.027 7.518 252 HD12 ILE 34 2HD1 ILE 34 -6.017 32.959 6.707 253 HD13 ILE 34 3HD1 ILE 34 -5.588 31.597 7.767 254 H ASN 35 H ASN 35 -4.895 30.005 1.691 255 HA ASN 35 HA ASN 35 -2.105 28.956 1.680 256 HB2 ASN 35 1HB ASN 35 -3.981 27.631 0.595 257 HB3 ASN 35 2HB ASN 35 -4.102 28.942 -0.585 258 HD21 ASN 35 1HD2 ASN 35 -1.904 26.218 -1.798 259 HD22 ASN 35 2HD2 ASN 35 -3.518 26.259 -1.116 260 H THR 36 H THR 36 -0.601 30.344 1.170 261 HA THR 36 HA THR 36 -1.346 32.947 -0.058 262 HB THR 36 HB THR 36 0.864 33.612 0.813 263 HG1 THR 36 HG1 THR 36 2.124 32.139 1.886 264 HG21 THR 36 1HG2 THR 36 0.364 33.492 3.174 265 HG22 THR 36 2HG2 THR 36 -0.645 32.049 2.928 266 HG23 THR 36 3HG2 THR 36 -1.182 33.631 2.308 267 H ASN 37 H ASN 37 0.030 29.999 -0.804 268 HA ASN 37 HA ASN 37 1.852 31.140 -2.878 269 HB2 ASN 37 1HB ASN 37 3.142 29.067 -2.623 270 HB3 ASN 37 2HB ASN 37 2.952 29.897 -1.078 271 HD21 ASN 37 1HD2 ASN 37 1.431 27.227 0.500 272 HD22 ASN 37 2HD2 ASN 37 2.177 28.805 0.594 273 H SER 38 H SER 38 -1.177 30.148 -3.138 274 HA SER 38 HA SER 38 -0.592 28.628 -5.633 275 HB2 SER 38 1HB SER 38 -2.634 27.777 -3.562 276 HB3 SER 38 2HB SER 38 -2.325 26.988 -5.111 277 HG SER 38 HG SER 38 -0.161 27.334 -3.364 278 H SER 39 H SER 39 -2.203 28.596 -7.194 279 HA SER 39 HA SER 39 -3.884 30.953 -7.367 280 HB2 SER 39 1HB SER 39 -3.873 28.397 -9.038 281 HB3 SER 39 2HB SER 39 -4.506 29.982 -9.530 282 HG SER 39 HG SER 39 -2.434 29.664 -10.367 283 HA PRO 40 HA PRO 40 -7.498 29.268 -5.579 284 HB2 PRO 40 1HB PRO 40 -9.606 29.788 -7.250 285 HB3 PRO 40 2HB PRO 40 -8.778 31.056 -6.286 286 HG2 PRO 40 1HG PRO 40 -8.303 30.289 -9.156 287 HG3 PRO 40 2HG PRO 40 -8.632 31.910 -8.461 288 HD2 PRO 40 1HD PRO 40 -6.118 31.130 -8.960 289 HD3 PRO 40 2HD PRO 40 -6.500 32.032 -7.452 290 H ASP 41 H ASP 41 -6.907 28.426 -8.958 291 HA ASP 41 HA ASP 41 -8.508 26.100 -9.205 292 HB2 ASP 41 1HB ASP 41 -5.736 26.411 -10.387 293 HB3 ASP 41 2HB ASP 41 -7.156 25.649 -11.110 294 H ASP 42 H ASP 42 -5.584 26.725 -7.462 295 HA ASP 42 HA ASP 42 -4.779 23.898 -7.446 296 HB2 ASP 42 1HB ASP 42 -3.419 26.520 -7.084 297 HB3 ASP 42 2HB ASP 42 -2.751 25.125 -6.245 298 H GLN 43 H GLN 43 -6.639 25.823 -5.472 299 HA GLN 43 HA GLN 43 -5.640 25.313 -2.868 300 HB2 GLN 43 1HB GLN 43 -8.498 25.605 -3.850 301 HB3 GLN 43 2HB GLN 43 -7.990 25.724 -2.170 302 HG2 GLN 43 1HG GLN 43 -7.222 27.555 -4.426 303 HG3 GLN 43 2HG GLN 43 -8.281 27.934 -3.068 304 HE21 GLN 43 1HE2 GLN 43 -4.458 28.738 -2.818 305 HE22 GLN 43 2HE2 GLN 43 -5.369 28.530 -4.286 306 H ILE 44 H ILE 44 -7.722 23.241 -4.863 307 HA ILE 44 HA ILE 44 -8.636 21.538 -2.805 308 HB ILE 44 HB ILE 44 -9.692 21.647 -4.969 309 HG12 ILE 44 1HG1 ILE 44 -8.536 18.858 -4.748 310 HG13 ILE 44 2HG1 ILE 44 -9.755 19.493 -3.642 311 HG21 ILE 44 1HG2 ILE 44 -8.690 20.777 -6.989 312 HG22 ILE 44 2HG2 ILE 44 -7.209 20.362 -6.107 313 HG23 ILE 44 3HG2 ILE 44 -7.676 22.064 -6.338 314 HD11 ILE 44 1HD1 ILE 44 -10.966 18.288 -5.303 315 HD12 ILE 44 2HD1 ILE 44 -10.032 19.002 -6.625 316 HD13 ILE 44 3HD1 ILE 44 -11.194 19.992 -5.712 317 H GLY 45 H GLY 45 -8.001 19.677 -1.885 318 HA2 GLY 45 1HA GLY 45 -5.682 18.172 -2.618 319 HA3 GLY 45 2HA GLY 45 -5.216 19.411 -1.440 320 H TYR 46 H TYR 46 -4.691 17.803 0.129 321 HA TYR 46 HA TYR 46 -7.057 16.922 1.647 322 HB2 TYR 46 1HB TYR 46 -6.466 14.577 1.629 323 HB3 TYR 46 2HB TYR 46 -6.658 15.112 -0.037 324 HD1 TYR 46 HD1 TYR 46 -4.355 13.956 2.543 325 HD2 TYR 46 HD2 TYR 46 -4.667 15.320 -1.518 326 HE1 TYR 46 HE1 TYR 46 -2.037 13.120 2.055 327 HE2 TYR 46 HE2 TYR 46 -2.365 14.479 -1.996 328 HH TYR 46 HH TYR 46 -0.356 12.930 0.506 329 H TYR 47 H TYR 47 -6.246 15.737 3.731 330 HA TYR 47 HA TYR 47 -3.518 16.784 4.460 331 HB2 TYR 47 1HB TYR 47 -5.861 16.154 6.253 332 HB3 TYR 47 2HB TYR 47 -4.241 16.456 6.817 333 HD1 TYR 47 HD1 TYR 47 -3.811 18.515 7.727 334 HD2 TYR 47 HD2 TYR 47 -6.738 18.264 4.572 335 HE1 TYR 47 HE1 TYR 47 -4.340 20.922 8.001 336 HE2 TYR 47 HE2 TYR 47 -7.236 20.665 4.864 337 HH TYR 47 HH TYR 47 -6.894 22.540 6.128 338 H ARG 48 H ARG 48 -2.061 15.376 5.239 339 HA ARG 48 HA ARG 48 -2.706 12.461 4.990 340 HB2 ARG 48 1HB ARG 48 -0.802 13.962 3.753 341 HB3 ARG 48 2HB ARG 48 0.089 13.586 5.216 342 HG2 ARG 48 1HG ARG 48 -1.012 11.592 3.211 343 HG3 ARG 48 2HG ARG 48 0.677 12.052 3.428 344 HD2 ARG 48 1HD ARG 48 0.552 11.150 5.762 345 HD3 ARG 48 2HD ARG 48 -1.081 10.559 5.389 346 HE ARG 48 HE ARG 48 0.866 9.656 3.444 347 HH11 ARG 48 1HH1 ARG 48 -0.385 8.949 6.678 348 HH12 ARG 48 2HH1 ARG 48 0.040 7.259 6.553 349 HH21 ARG 48 1HH2 ARG 48 1.438 7.532 3.409 350 HH22 ARG 48 2HH2 ARG 48 1.064 6.484 4.750 351 H ARG 49 H ARG 49 -2.977 11.404 6.967 352 HA ARG 49 HA ARG 49 -1.980 12.608 9.431 353 HB2 ARG 49 1HB ARG 49 -3.558 11.270 10.238 354 HB3 ARG 49 2HB ARG 49 -3.664 10.346 8.749 355 HG2 ARG 49 1HG ARG 49 -2.138 8.712 9.517 356 HG3 ARG 49 2HG ARG 49 -1.454 9.790 10.743 357 HD2 ARG 49 1HD ARG 49 -2.785 8.085 11.824 358 HD3 ARG 49 2HD ARG 49 -3.492 9.683 12.070 359 HE ARG 49 HE ARG 49 -5.405 9.033 10.972 360 HH11 ARG 49 1HH1 ARG 49 -2.935 6.567 10.287 361 HH12 ARG 49 2HH1 ARG 49 -4.111 5.503 9.542 362 HH21 ARG 49 1HH2 ARG 49 -6.786 7.619 10.044 363 HH22 ARG 49 2HH2 ARG 49 -6.209 6.067 9.416 364 H ALA 50 H ALA 50 -0.084 12.314 10.447 365 HA ALA 50 HA ALA 50 1.798 10.245 9.439 366 HB1 ALA 50 1HB ALA 50 2.204 12.291 8.090 367 HB2 ALA 50 2HB ALA 50 3.562 11.979 9.200 368 HB3 ALA 50 3HB ALA 50 2.362 13.234 9.592 369 H THR 51 H THR 51 3.511 9.807 10.896 370 HA THR 51 HA THR 51 3.753 11.300 13.382 371 HB THR 51 HB THR 51 1.868 9.690 13.937 372 HG1 THR 51 HG1 THR 51 3.131 8.780 15.785 373 HG21 THR 51 1HG2 THR 51 2.351 7.321 14.178 374 HG22 THR 51 2HG2 THR 51 4.008 7.548 13.586 375 HG23 THR 51 3HG2 THR 51 2.627 7.791 12.487 376 H ARG 52 H ARG 52 5.608 10.275 14.649 377 HA ARG 52 HA ARG 52 7.406 8.453 13.230 378 HB2 ARG 52 1HB ARG 52 7.623 11.172 12.544 379 HB3 ARG 52 2HB ARG 52 8.776 10.999 13.867 380 HG2 ARG 52 1HG ARG 52 10.060 10.636 11.943 381 HG3 ARG 52 2HG ARG 52 9.738 8.995 12.531 382 HD2 ARG 52 1HD ARG 52 7.967 8.702 10.867 383 HD3 ARG 52 2HD ARG 52 8.084 10.402 10.394 384 HE ARG 52 HE ARG 52 10.062 9.984 9.211 385 HH11 ARG 52 1HH1 ARG 52 8.959 6.995 10.747 386 HH12 ARG 52 2HH1 ARG 52 10.031 6.007 9.791 387 HH21 ARG 52 1HH2 ARG 52 11.379 8.655 8.025 388 HH22 ARG 52 2HH2 ARG 52 11.370 6.932 8.279 389 H ARG 53 H ARG 53 9.103 7.837 14.855 390 HA ARG 53 HA ARG 53 8.610 9.040 17.535 391 HB2 ARG 53 1HB ARG 53 7.452 6.788 17.131 392 HB3 ARG 53 2HB ARG 53 9.082 6.099 17.073 393 HG2 ARG 53 1HG ARG 53 9.441 7.207 19.365 394 HG3 ARG 53 2HG ARG 53 7.696 7.450 19.404 395 HD2 ARG 53 1HD ARG 53 9.106 4.879 18.937 396 HD3 ARG 53 2HD ARG 53 8.522 5.452 20.511 397 HE ARG 53 HE ARG 53 6.382 5.552 18.595 398 HH11 ARG 53 1HH1 ARG 53 8.164 3.103 20.444 399 HH12 ARG 53 2HH1 ARG 53 6.808 2.009 20.433 400 HH21 ARG 53 1HH2 ARG 53 4.762 4.146 18.612 401 HH22 ARG 53 2HH2 ARG 53 4.899 2.587 19.402 402 H ILE 54 H ILE 54 10.171 9.151 18.911 403 HA ILE 54 HA ILE 54 12.867 8.215 18.174 404 HB ILE 54 HB ILE 54 13.896 10.322 18.403 405 HG12 ILE 54 1HG1 ILE 54 12.871 11.260 20.338 406 HG13 ILE 54 2HG1 ILE 54 12.798 12.421 19.038 407 HG21 ILE 54 1HG2 ILE 54 12.988 11.781 16.686 408 HG22 ILE 54 2HG2 ILE 54 11.401 10.994 16.811 409 HG23 ILE 54 3HG2 ILE 54 12.805 10.081 16.208 410 HD11 ILE 54 1HD1 ILE 54 10.787 12.553 20.251 411 HD12 ILE 54 2HD1 ILE 54 10.526 10.806 20.125 412 HD13 ILE 54 3HD1 ILE 54 10.429 11.827 18.671 413 H ARG 55 H ARG 55 14.247 8.881 20.255 414 HA ARG 55 HA ARG 55 12.535 8.705 22.702 415 HB2 ARG 55 1HB ARG 55 13.705 6.506 22.014 416 HB3 ARG 55 2HB ARG 55 15.221 7.300 22.428 417 HG2 ARG 55 1HG ARG 55 12.879 7.050 24.360 418 HG3 ARG 55 2HG ARG 55 14.134 5.808 24.213 419 HD2 ARG 55 1HD ARG 55 14.543 8.691 25.052 420 HD3 ARG 55 2HD ARG 55 14.573 7.292 26.122 421 HE ARG 55 HE ARG 55 16.657 8.160 24.223 422 HH11 ARG 55 1HH1 ARG 55 15.620 5.643 26.485 423 HH12 ARG 55 2HH1 ARG 55 17.220 4.959 26.595 424 HH21 ARG 55 1HH2 ARG 55 18.663 7.230 24.427 425 HH22 ARG 55 2HH2 ARG 55 18.906 5.842 25.453 426 H GLY 56 H GLY 56 12.740 10.794 23.382 427 HA2 GLY 56 1HA GLY 56 15.069 12.365 22.747 428 HA3 GLY 56 2HA GLY 56 13.748 12.824 23.840 429 H GLY 57 H GLY 57 16.598 13.304 24.263 430 HA2 GLY 57 1HA GLY 57 17.644 11.336 26.085 431 HA3 GLY 57 2HA GLY 57 18.202 13.018 25.923 432 H ASP 58 H ASP 58 15.651 14.196 26.361 433 HA ASP 58 HA ASP 58 15.461 13.966 29.301 434 HB2 ASP 58 1HB ASP 58 15.771 16.147 28.002 435 HB3 ASP 58 2HB ASP 58 14.109 15.933 27.451 436 H GLY 59 H GLY 59 14.309 12.153 27.044 437 HA2 GLY 59 1HA GLY 59 12.655 10.545 27.320 438 HA3 GLY 59 2HA GLY 59 11.895 11.535 28.563 439 H LYS 60 H LYS 60 12.012 13.800 26.400 440 HA LYS 60 HA LYS 60 9.305 13.631 25.730 441 HB2 LYS 60 1HB LYS 60 11.611 15.319 24.785 442 HB3 LYS 60 2HB LYS 60 10.015 15.465 24.026 443 HG2 LYS 60 1HG LYS 60 9.576 16.960 25.661 444 HG3 LYS 60 2HG LYS 60 9.319 15.522 26.652 445 HD2 LYS 60 1HD LYS 60 10.683 16.928 27.945 446 HD3 LYS 60 2HD LYS 60 11.755 15.668 27.329 447 HE2 LYS 60 1HE LYS 60 13.014 17.133 26.189 448 HE3 LYS 60 2HE LYS 60 11.592 17.989 25.537 449 HZ1 LYS 60 1HZ LYS 60 12.882 19.417 27.032 450 HZ2 LYS 60 2HZ LYS 60 12.706 18.344 28.276 451 HZ3 LYS 60 3HZ LYS 60 11.389 19.139 27.677 452 H MET 61 H MET 61 8.164 13.035 24.159 453 HA MET 61 HA MET 61 9.428 11.461 21.964 454 HB2 MET 61 1HB MET 61 6.710 11.120 23.273 455 HB3 MET 61 2HB MET 61 7.351 10.142 21.948 456 HG2 MET 61 1HG MET 61 9.259 9.483 23.451 457 HG3 MET 61 2HG MET 61 8.415 10.304 24.776 458 HE1 MET 61 1HE MET 61 7.237 7.846 21.775 459 HE2 MET 61 2HE MET 61 7.225 6.356 22.747 460 HE3 MET 61 3HE MET 61 8.742 7.266 22.530 461 H LYS 62 H LYS 62 7.502 11.090 20.230 462 HA LYS 62 HA LYS 62 6.461 13.778 19.381 463 HB2 LYS 62 1HB LYS 62 8.442 12.011 18.172 464 HB3 LYS 62 2HB LYS 62 7.024 12.118 17.135 465 HG2 LYS 62 1HG LYS 62 8.649 13.726 16.506 466 HG3 LYS 62 2HG LYS 62 7.153 14.487 17.076 467 HD2 LYS 62 1HD LYS 62 8.180 14.942 19.239 468 HD3 LYS 62 2HD LYS 62 9.670 14.144 18.722 469 HE2 LYS 62 1HE LYS 62 10.042 15.835 17.013 470 HE3 LYS 62 2HE LYS 62 8.448 16.557 17.327 471 HZ1 LYS 62 1HZ LYS 62 10.184 17.818 18.414 472 HZ2 LYS 62 2HZ LYS 62 10.702 16.493 19.251 473 HZ3 LYS 62 3HZ LYS 62 9.211 17.130 19.555 474 H ASP 63 H ASP 63 6.429 10.388 19.035 475 HA ASP 63 HA ASP 63 4.086 9.916 17.545 476 HB2 ASP 63 1HB ASP 63 6.110 8.436 18.327 477 HB3 ASP 63 2HB ASP 63 5.071 8.043 19.700 478 H LEU 64 H LEU 64 2.404 8.297 18.611 479 HA LEU 64 HA LEU 64 0.650 7.860 19.918 480 HB2 LEU 64 1HB LEU 64 2.340 8.743 21.827 481 HB3 LEU 64 2HB LEU 64 1.098 9.980 21.948 482 HG LEU 64 HG LEU 64 0.564 8.370 23.577 483 HD11 LEU 64 1HD1 LEU 64 -1.587 7.510 22.910 484 HD12 LEU 64 2HD1 LEU 64 -1.143 7.604 21.186 485 HD13 LEU 64 3HD1 LEU 64 -1.345 9.093 22.134 486 HD21 LEU 64 1HD2 LEU 64 0.423 5.958 23.159 487 HD22 LEU 64 2HD2 LEU 64 2.041 6.569 22.759 488 HD23 LEU 64 3HD2 LEU 64 0.881 6.202 21.459 489 H SER 65 H SER 65 1.326 11.388 19.865 490 HA SER 65 HA SER 65 -1.510 11.931 19.259 491 HB2 SER 65 1HB SER 65 -0.251 13.555 20.599 492 HB3 SER 65 2HB SER 65 0.946 13.724 19.300 493 HG SER 65 HG SER 65 -1.805 14.482 19.242 494 HA PRO 66 HA PRO 66 -0.241 11.330 14.998 495 HB2 PRO 66 1HB PRO 66 -2.653 11.411 13.732 496 HB3 PRO 66 2HB PRO 66 -2.114 9.973 14.658 497 HG2 PRO 66 1HG PRO 66 -3.937 12.196 15.497 498 HG3 PRO 66 2HG PRO 66 -4.161 10.431 15.663 499 HD2 PRO 66 1HD PRO 66 -3.253 12.000 17.711 500 HD3 PRO 66 2HD PRO 66 -2.717 10.299 17.490 501 H ARG 67 H ARG 67 0.108 12.781 13.264 502 HA ARG 67 HA ARG 67 -0.962 15.542 13.734 503 HB2 ARG 67 1HB ARG 67 1.656 14.893 12.379 504 HB3 ARG 67 2HB ARG 67 1.115 16.430 13.069 505 HG2 ARG 67 1HG ARG 67 1.151 15.201 15.341 506 HG3 ARG 67 2HG ARG 67 2.062 13.937 14.485 507 HD2 ARG 67 1HD ARG 67 3.704 15.306 15.399 508 HD3 ARG 67 2HD ARG 67 3.593 15.815 13.701 509 HE ARG 67 HE ARG 67 1.895 17.317 15.570 510 HH11 ARG 67 1HH1 ARG 67 5.048 17.264 13.956 511 HH12 ARG 67 2HH1 ARG 67 5.293 18.982 14.222 512 HH21 ARG 67 1HH2 ARG 67 2.322 19.450 15.884 513 HH22 ARG 67 2HH2 ARG 67 3.823 20.154 15.300 514 H TRP 68 H TRP 68 -1.235 16.799 11.736 515 HA TRP 68 HA TRP 68 -1.577 15.022 9.350 516 HB2 TRP 68 1HB TRP 68 -3.464 17.099 10.463 517 HB3 TRP 68 2HB TRP 68 -3.596 16.427 8.839 518 HD1 TRP 68 HD1 TRP 68 -3.855 15.322 12.527 519 HE1 TRP 68 HE1 TRP 68 -5.336 13.258 12.703 520 HE3 TRP 68 HE3 TRP 68 -4.453 14.442 7.528 521 HZ2 TRP 68 HZ2 TRP 68 -6.638 11.514 10.922 522 HZ3 TRP 68 HZ3 TRP 68 -5.887 12.524 6.810 523 HH2 TRP 68 HH2 TRP 68 -6.982 11.072 8.519 524 H TYR 69 H TYR 69 -0.626 15.722 7.584 525 HA TYR 69 HA TYR 69 0.368 18.559 7.542 526 HB2 TYR 69 1HB TYR 69 1.340 16.006 6.190 527 HB3 TYR 69 2HB TYR 69 2.000 17.607 5.871 528 HD1 TYR 69 HD1 TYR 69 3.959 18.230 6.998 529 HD2 TYR 69 HD2 TYR 69 1.403 15.295 8.855 530 HE1 TYR 69 HE1 TYR 69 5.633 17.905 8.817 531 HE2 TYR 69 HE2 TYR 69 3.086 14.996 10.659 532 HH TYR 69 HH TYR 69 5.113 15.547 11.459 533 H PHE 70 H PHE 70 -0.348 19.829 5.793 534 HA PHE 70 HA PHE 70 -2.495 18.684 4.162 535 HB2 PHE 70 1HB PHE 70 -2.820 20.935 5.060 536 HB3 PHE 70 2HB PHE 70 -1.330 21.487 4.281 537 HD1 PHE 70 HD1 PHE 70 -4.724 20.083 3.532 538 HD2 PHE 70 HD2 PHE 70 -1.353 22.288 2.042 539 HE1 PHE 70 HE1 PHE 70 -5.997 20.625 1.464 540 HE2 PHE 70 HE2 PHE 70 -2.625 22.848 -0.020 541 HZ PHE 70 HZ PHE 70 -4.948 22.009 -0.320 542 H TYR 71 H TYR 71 -2.385 18.176 2.090 543 HA TYR 71 HA TYR 71 0.124 18.756 0.604 544 HB2 TYR 71 1HB TYR 71 -0.906 16.209 1.675 545 HB3 TYR 71 2HB TYR 71 -0.383 16.148 -0.036 546 HD1 TYR 71 HD1 TYR 71 2.032 16.846 -0.578 547 HD2 TYR 71 HD2 TYR 71 0.646 16.273 3.454 548 HE1 TYR 71 HE1 TYR 71 4.398 16.729 0.229 549 HE2 TYR 71 HE2 TYR 71 3.009 16.151 4.242 550 HH TYR 71 HH TYR 71 5.783 16.350 2.053 551 H TYR 72 H TYR 72 -0.205 18.784 -1.621 552 HA TYR 72 HA TYR 72 -2.929 19.554 -2.290 553 HB2 TYR 72 1HB TYR 72 -0.384 19.565 -3.935 554 HB3 TYR 72 2HB TYR 72 -1.913 20.323 -4.374 555 HD1 TYR 72 HD1 TYR 72 -2.582 22.449 -3.466 556 HD2 TYR 72 HD2 TYR 72 0.952 20.485 -1.980 557 HE1 TYR 72 HE1 TYR 72 -1.913 24.518 -2.287 558 HE2 TYR 72 HE2 TYR 72 1.580 22.557 -0.755 559 HH TYR 72 HH TYR 72 -0.169 25.601 -1.109 560 H LEU 73 H LEU 73 -4.010 18.880 -4.267 561 HA LEU 73 HA LEU 73 -4.353 16.084 -4.431 562 HB2 LEU 73 1HB LEU 73 -5.584 18.316 -5.447 563 HB3 LEU 73 2HB LEU 73 -4.832 17.676 -6.889 564 HG LEU 73 HG LEU 73 -7.000 16.421 -5.218 565 HD11 LEU 73 1HD1 LEU 73 -7.619 18.161 -6.840 566 HD12 LEU 73 2HD1 LEU 73 -8.207 16.581 -7.373 567 HD13 LEU 73 3HD1 LEU 73 -6.766 17.288 -8.131 568 HD21 LEU 73 1HD2 LEU 73 -5.372 15.162 -7.451 569 HD22 LEU 73 2HD2 LEU 73 -6.957 14.572 -6.914 570 HD23 LEU 73 3HD2 LEU 73 -5.600 14.560 -5.786 571 H GLY 74 H GLY 74 -3.173 14.497 -5.362 572 HA2 GLY 74 1HA GLY 74 -1.853 13.453 -6.942 573 HA3 GLY 74 2HA GLY 74 -1.759 14.960 -7.848 574 H THR 75 H THR 75 -0.700 14.853 -4.443 575 HA THR 75 HA THR 75 2.090 15.168 -5.473 576 HB THR 75 HB THR 75 2.593 15.955 -3.109 577 HG1 THR 75 HG1 THR 75 -0.245 16.204 -2.921 578 HG21 THR 75 1HG2 THR 75 1.503 18.177 -3.387 579 HG22 THR 75 2HG2 THR 75 0.573 17.512 -4.750 580 HG23 THR 75 3HG2 THR 75 2.351 17.599 -4.831 581 H GLY 76 H GLY 76 3.751 13.931 -4.695 582 HA2 GLY 76 1HA GLY 76 4.668 12.303 -3.185 583 HA3 GLY 76 2HA GLY 76 3.052 11.650 -2.903 584 HA PRO 77 HA PRO 77 5.216 9.916 -6.835 585 HB2 PRO 77 1HB PRO 77 7.015 8.020 -6.040 586 HB3 PRO 77 2HB PRO 77 7.416 9.744 -6.183 587 HG2 PRO 77 1HG PRO 77 6.685 8.231 -3.714 588 HG3 PRO 77 2HG PRO 77 8.082 9.313 -4.000 589 HD2 PRO 77 1HD PRO 77 5.827 10.183 -2.779 590 HD3 PRO 77 2HD PRO 77 6.769 11.240 -3.889 591 H GLU 78 H GLU 78 4.630 8.022 -3.920 592 HA GLU 78 HA GLU 78 3.491 5.785 -5.538 593 HB2 GLU 78 1HB GLU 78 3.736 4.477 -3.449 594 HB3 GLU 78 2HB GLU 78 5.279 5.159 -3.978 595 HG2 GLU 78 1HG GLU 78 5.069 6.971 -2.321 596 HG3 GLU 78 2HG GLU 78 3.513 6.318 -1.795 597 H ALA 79 H ALA 79 2.390 8.546 -4.736 598 HA ALA 79 HA ALA 79 0.476 8.085 -2.707 599 HB1 ALA 79 1HB ALA 79 1.129 10.348 -3.278 600 HB2 ALA 79 2HB ALA 79 -0.611 10.176 -3.569 601 HB3 ALA 79 3HB ALA 79 0.526 10.158 -4.937 602 H GLY 80 H GLY 80 0.107 8.248 -6.286 603 HA2 GLY 80 1HA GLY 80 -1.508 7.355 -7.678 604 HA3 GLY 80 2HA GLY 80 -1.610 6.033 -6.504 605 H LEU 81 H LEU 81 -2.409 9.430 -5.810 606 HA LEU 81 HA LEU 81 -5.113 8.502 -5.140 607 HB2 LEU 81 1HB LEU 81 -3.208 10.485 -3.953 608 HB3 LEU 81 2HB LEU 81 -4.917 10.646 -3.689 609 HG LEU 81 HG LEU 81 -3.236 8.305 -2.827 610 HD11 LEU 81 1HD1 LEU 81 -2.828 10.345 -1.553 611 HD12 LEU 81 2HD1 LEU 81 -3.737 9.185 -0.567 612 HD13 LEU 81 3HD1 LEU 81 -4.575 10.564 -1.305 613 HD21 LEU 81 1HD2 LEU 81 -5.241 7.515 -1.652 614 HD22 LEU 81 2HD2 LEU 81 -5.527 7.571 -3.403 615 HD23 LEU 81 3HD2 LEU 81 -6.190 8.840 -2.344 616 HA PRO 82 HA PRO 82 -6.616 11.764 -7.902 617 HB2 PRO 82 1HB PRO 82 -8.907 10.453 -8.565 618 HB3 PRO 82 2HB PRO 82 -7.346 10.050 -9.354 619 HG2 PRO 82 1HG PRO 82 -8.781 8.644 -7.135 620 HG3 PRO 82 2HG PRO 82 -7.915 7.963 -8.527 621 HD2 PRO 82 1HD PRO 82 -6.891 8.143 -6.023 622 HD3 PRO 82 2HD PRO 82 -5.914 8.037 -7.497 623 H TYR 83 H TYR 83 -8.664 13.045 -7.462 624 HA TYR 83 HA TYR 83 -8.956 13.416 -4.660 625 HB2 TYR 83 1HB TYR 83 -9.366 15.144 -6.393 626 HB3 TYR 83 2HB TYR 83 -10.832 14.293 -6.873 627 HD1 TYR 83 HD1 TYR 83 -9.191 16.249 -4.161 628 HD2 TYR 83 HD2 TYR 83 -12.866 14.454 -5.498 629 HE1 TYR 83 HE1 TYR 83 -10.430 17.458 -2.377 630 HE2 TYR 83 HE2 TYR 83 -14.102 15.685 -3.711 631 HH TYR 83 HH TYR 83 -13.950 17.129 -1.940 632 H GLY 84 H GLY 84 -10.266 12.574 -3.166 633 HA2 GLY 84 1HA GLY 84 -12.259 11.642 -2.355 634 HA3 GLY 84 2HA GLY 84 -12.741 11.206 -3.996 635 H ALA 85 H ALA 85 -9.675 10.068 -3.984 636 HA ALA 85 HA ALA 85 -10.527 7.363 -3.618 637 HB1 ALA 85 1HB ALA 85 -8.723 7.709 -5.063 638 HB2 ALA 85 2HB ALA 85 -8.030 6.896 -3.648 639 HB3 ALA 85 3HB ALA 85 -7.811 8.650 -3.865 640 H ASN 86 H ASN 86 -10.609 6.055 -1.941 641 HA ASN 86 HA ASN 86 -10.160 7.161 0.722 642 HB2 ASN 86 1HB ASN 86 -12.082 5.662 0.135 643 HB3 ASN 86 2HB ASN 86 -10.928 4.345 -0.138 644 HD21 ASN 86 1HD2 ASN 86 -11.626 3.458 3.177 645 HD22 ASN 86 2HD2 ASN 86 -11.879 3.089 1.489 646 H LYS 87 H LYS 87 -8.435 6.885 2.000 647 HA LYS 87 HA LYS 87 -6.671 4.560 1.696 648 HB2 LYS 87 1HB LYS 87 -5.769 6.136 0.026 649 HB3 LYS 87 2HB LYS 87 -5.677 7.386 1.227 650 HG2 LYS 87 1HG LYS 87 -3.854 6.420 2.346 651 HG3 LYS 87 2HG LYS 87 -4.183 4.799 1.692 652 HD2 LYS 87 1HD LYS 87 -3.246 7.112 -0.013 653 HD3 LYS 87 2HD LYS 87 -2.136 5.994 0.783 654 HE2 LYS 87 1HE LYS 87 -3.297 4.090 -0.412 655 HE3 LYS 87 2HE LYS 87 -4.234 5.286 -1.323 656 HZ1 LYS 87 1HZ LYS 87 -2.263 4.492 -2.532 657 HZ2 LYS 87 2HZ LYS 87 -1.267 5.092 -1.367 658 HZ3 LYS 87 3HZ LYS 87 -2.180 6.115 -2.284 659 H ASP 88 H ASP 88 -5.376 4.331 3.575 660 HA ASP 88 HA ASP 88 -6.676 5.225 5.958 661 HB2 ASP 88 1HB ASP 88 -5.416 3.106 5.774 662 HB3 ASP 88 2HB ASP 88 -3.922 4.021 5.563 663 H GLY 89 H GLY 89 -6.564 7.097 6.929 664 HA2 GLY 89 1HA GLY 89 -5.621 8.975 7.891 665 HA3 GLY 89 2HA GLY 89 -4.037 8.467 7.291 666 H ILE 90 H ILE 90 -6.819 8.917 5.129 667 HA ILE 90 HA ILE 90 -5.587 11.476 4.206 668 HB ILE 90 HB ILE 90 -6.723 9.232 2.433 669 HG12 ILE 90 1HG1 ILE 90 -4.475 8.736 3.299 670 HG13 ILE 90 2HG1 ILE 90 -4.484 9.001 1.564 671 HG21 ILE 90 1HG2 ILE 90 -5.937 10.735 0.540 672 HG22 ILE 90 2HG2 ILE 90 -5.690 12.031 1.733 673 HG23 ILE 90 3HG2 ILE 90 -7.316 11.373 1.446 674 HD11 ILE 90 1HD1 ILE 90 -3.694 11.195 3.446 675 HD12 ILE 90 2HD1 ILE 90 -3.371 11.018 1.706 676 HD13 ILE 90 3HD1 ILE 90 -2.562 9.944 2.866 677 H ILE 91 H ILE 91 -6.897 13.122 4.209 678 HA ILE 91 HA ILE 91 -9.834 12.614 3.848 679 HB ILE 91 HB ILE 91 -10.243 14.673 5.268 680 HG12 ILE 91 1HG1 ILE 91 -7.820 14.322 6.879 681 HG13 ILE 91 2HG1 ILE 91 -7.447 14.866 5.267 682 HG21 ILE 91 1HG2 ILE 91 -9.038 12.336 6.798 683 HG22 ILE 91 2HG2 ILE 91 -10.654 12.333 6.054 684 HG23 ILE 91 3HG2 ILE 91 -10.286 13.486 7.354 685 HD11 ILE 91 1HD1 ILE 91 -7.800 16.753 6.805 686 HD12 ILE 91 2HD1 ILE 91 -9.473 16.222 7.068 687 HD13 ILE 91 3HD1 ILE 91 -8.937 16.758 5.451 688 H TRP 92 H TRP 92 -10.518 13.472 2.012 689 HA TRP 92 HA TRP 92 -8.931 15.503 0.663 690 HB2 TRP 92 1HB TRP 92 -11.564 14.160 -0.012 691 HB3 TRP 92 2HB TRP 92 -10.698 15.281 -1.069 692 HD1 TRP 92 HD1 TRP 92 -10.641 11.707 0.139 693 HE1 TRP 92 HE1 TRP 92 -8.823 10.367 -1.017 694 HE3 TRP 92 HE3 TRP 92 -8.277 15.614 -2.198 695 HZ2 TRP 92 HZ2 TRP 92 -6.619 10.923 -2.695 696 HZ3 TRP 92 HZ3 TRP 92 -6.256 15.124 -3.556 697 HH2 TRP 92 HH2 TRP 92 -5.433 12.788 -3.812 698 H VAL 93 H VAL 93 -9.319 17.594 0.330 699 HA VAL 93 HA VAL 93 -11.864 18.783 1.315 700 HB VAL 93 HB VAL 93 -10.517 20.684 2.312 701 HG11 VAL 93 1HG1 VAL 93 -10.011 19.546 4.411 702 HG12 VAL 93 2HG1 VAL 93 -10.056 17.968 3.596 703 HG13 VAL 93 3HG1 VAL 93 -11.536 18.949 3.725 704 HG21 VAL 93 1HG2 VAL 93 -8.183 20.372 2.893 705 HG22 VAL 93 2HG2 VAL 93 -8.348 20.153 1.139 706 HG23 VAL 93 3HG2 VAL 93 -8.172 18.739 2.200 707 H ALA 94 H ALA 94 -12.312 20.842 0.308 708 HA ALA 94 HA ALA 94 -10.582 21.789 -1.841 709 HB1 ALA 94 1HB ALA 94 -11.753 19.764 -2.860 710 HB2 ALA 94 2HB ALA 94 -12.095 21.306 -3.677 711 HB3 ALA 94 3HB ALA 94 -13.299 20.596 -2.572 712 H THR 95 H THR 95 -11.691 23.674 -2.903 713 HA THR 95 HA THR 95 -13.927 24.802 -1.299 714 HB THR 95 HB THR 95 -11.721 25.856 -0.573 715 HG1 THR 95 HG1 THR 95 -12.583 28.022 -0.963 716 HG21 THR 95 1HG2 THR 95 -11.783 27.098 -3.346 717 HG22 THR 95 2HG2 THR 95 -10.661 25.802 -2.868 718 HG23 THR 95 3HG2 THR 95 -10.591 27.379 -2.057 719 H GLU 96 H GLU 96 -14.926 26.606 -2.653 720 HA GLU 96 HA GLU 96 -15.514 25.513 -5.235 721 HB2 GLU 96 1HB GLU 96 -17.052 26.820 -3.731 722 HB3 GLU 96 2HB GLU 96 -16.186 28.289 -4.211 723 HG2 GLU 96 1HG GLU 96 -16.875 28.023 -6.506 724 HG3 GLU 96 2HG GLU 96 -17.473 26.386 -6.192 725 H GLY 97 H GLY 97 -14.835 26.072 -7.226 726 HA2 GLY 97 1HA GLY 97 -13.836 27.460 -8.858 727 HA3 GLY 97 2HA GLY 97 -13.070 28.415 -7.582 728 H ALA 98 H ALA 98 -12.468 25.428 -6.532 729 HA ALA 98 HA ALA 98 -9.778 25.425 -7.659 730 HB1 ALA 98 1HB ALA 98 -10.287 24.945 -5.276 731 HB2 ALA 98 2HB ALA 98 -9.373 23.656 -6.085 732 HB3 ALA 98 3HB ALA 98 -11.120 23.458 -5.791 733 H LEU 99 H LEU 99 -8.868 23.867 -9.039 734 HA LEU 99 HA LEU 99 -10.881 22.311 -10.567 735 HB2 LEU 99 1HB LEU 99 -8.027 23.124 -11.158 736 HB3 LEU 99 2HB LEU 99 -9.002 22.093 -12.184 737 HG LEU 99 HG LEU 99 -9.453 25.027 -11.613 738 HD11 LEU 99 1HD1 LEU 99 -9.013 25.157 -14.039 739 HD12 LEU 99 2HD1 LEU 99 -8.793 23.385 -14.085 740 HD13 LEU 99 3HD1 LEU 99 -7.660 24.411 -13.167 741 HD21 LEU 99 1HD2 LEU 99 -11.313 24.870 -13.276 742 HD22 LEU 99 2HD2 LEU 99 -11.672 24.015 -11.768 743 HD23 LEU 99 3HD2 LEU 99 -11.190 23.096 -13.218 744 H ASN 100 H ASN 100 -10.882 20.224 -10.761 745 HA ASN 100 HA ASN 100 -9.338 18.627 -8.870 746 HB2 ASN 100 1HB ASN 100 -11.497 17.966 -10.905 747 HB3 ASN 100 2HB ASN 100 -10.678 16.724 -9.948 748 HD21 ASN 100 1HD2 ASN 100 -12.889 17.053 -7.351 749 HD22 ASN 100 2HD2 ASN 100 -11.916 16.041 -8.390 750 H THR 101 H THR 101 -7.499 19.719 -10.508 751 HA THR 101 HA THR 101 -6.649 17.467 -12.302 752 HB THR 101 HB THR 101 -7.101 19.916 -13.255 753 HG1 THR 101 HG1 THR 101 -5.361 19.602 -14.708 754 HG21 THR 101 1HG2 THR 101 -5.174 21.393 -13.170 755 HG22 THR 101 2HG2 THR 101 -4.279 20.226 -12.162 756 HG23 THR 101 3HG2 THR 101 -5.725 21.061 -11.516 757 HA PRO 102 HA PRO 102 -3.378 17.007 -9.351 758 HB2 PRO 102 1HB PRO 102 -1.187 16.560 -10.954 759 HB3 PRO 102 2HB PRO 102 -2.422 15.301 -10.609 760 HG2 PRO 102 1HG PRO 102 -2.150 17.136 -12.983 761 HG3 PRO 102 2HG PRO 102 -2.457 15.371 -12.949 762 HD2 PRO 102 1HD PRO 102 -4.443 17.097 -13.309 763 HD3 PRO 102 2HD PRO 102 -4.666 15.650 -12.275 764 H LYS 103 H LYS 103 -1.759 18.197 -8.322 765 HA LYS 103 HA LYS 103 -0.450 20.352 -9.855 766 HB2 LYS 103 1HB LYS 103 -0.990 22.077 -8.201 767 HB3 LYS 103 2HB LYS 103 -2.368 21.536 -9.132 768 HG2 LYS 103 1HG LYS 103 -1.843 20.413 -6.409 769 HG3 LYS 103 2HG LYS 103 -2.595 21.995 -6.571 770 HD2 LYS 103 1HD LYS 103 -3.736 19.544 -7.915 771 HD3 LYS 103 2HD LYS 103 -4.067 19.932 -6.239 772 HE2 LYS 103 1HE LYS 103 -5.868 20.682 -7.559 773 HE3 LYS 103 2HE LYS 103 -5.030 22.072 -6.887 774 HZ1 LYS 103 1HZ LYS 103 -5.751 22.382 -9.164 775 HZ2 LYS 103 2HZ LYS 103 -4.812 21.117 -9.672 776 HZ3 LYS 103 3HZ LYS 103 -4.107 22.490 -9.063 777 H ASP 104 H ASP 104 0.788 18.268 -9.359 778 HA ASP 104 HA ASP 104 2.054 17.806 -6.891 779 HB2 ASP 104 1HB ASP 104 3.705 16.615 -8.214 780 HB3 ASP 104 2HB ASP 104 2.097 16.312 -8.894 781 H HIS 105 H HIS 105 2.628 20.166 -9.399 782 HA HIS 105 HA HIS 105 5.276 20.913 -8.864 783 HB2 HIS 105 1HB HIS 105 4.725 23.019 -10.007 784 HB3 HIS 105 2HB HIS 105 4.069 21.617 -10.860 785 HD1 HIS 105 HD1 HIS 105 1.489 21.444 -11.128 786 HD2 HIS 105 HD2 HIS 105 2.735 24.712 -8.806 787 HE1 HIS 105 HE1 HIS 105 -0.566 22.927 -10.738 788 H ILE 106 H ILE 106 2.561 21.504 -6.791 789 HA ILE 106 HA ILE 106 3.907 23.835 -5.563 790 HB ILE 106 HB ILE 106 1.421 22.539 -4.437 791 HG12 ILE 106 1HG1 ILE 106 1.494 24.524 -6.740 792 HG13 ILE 106 2HG1 ILE 106 1.089 22.814 -6.911 793 HG21 ILE 106 1HG2 ILE 106 2.529 24.421 -3.216 794 HG22 ILE 106 2HG2 ILE 106 0.936 24.892 -3.780 795 HG23 ILE 106 3HG2 ILE 106 2.380 25.452 -4.648 796 HD11 ILE 106 1HD1 ILE 106 -0.900 23.879 -6.892 797 HD12 ILE 106 2HD1 ILE 106 -0.457 24.945 -5.549 798 HD13 ILE 106 3HD1 ILE 106 -0.748 23.209 -5.264 799 H GLY 107 H GLY 107 3.690 20.375 -5.187 800 HA2 GLY 107 1HA GLY 107 4.195 20.384 -2.319 801 HA3 GLY 107 2HA GLY 107 4.247 18.989 -3.404 802 H THR 108 H THR 108 6.187 21.385 -4.702 803 HA THR 108 HA THR 108 8.571 19.858 -3.990 804 HB THR 108 HB THR 108 8.047 20.675 -6.324 805 HG1 THR 108 HG1 THR 108 10.471 21.486 -5.073 806 HG21 THR 108 1HG2 THR 108 7.280 22.996 -5.624 807 HG22 THR 108 2HG2 THR 108 8.458 22.959 -6.949 808 HG23 THR 108 3HG2 THR 108 8.988 23.389 -5.310 809 H ARG 109 H ARG 109 7.133 22.039 -2.071 810 HA ARG 109 HA ARG 109 9.136 24.038 -1.613 811 HB2 ARG 109 1HB ARG 109 6.839 24.033 -0.536 812 HB3 ARG 109 2HB ARG 109 7.396 22.721 0.513 813 HG2 ARG 109 1HG ARG 109 9.291 24.276 1.258 814 HG3 ARG 109 2HG ARG 109 8.472 25.571 0.380 815 HD2 ARG 109 1HD ARG 109 7.881 25.736 2.702 816 HD3 ARG 109 2HD ARG 109 6.461 25.186 1.813 817 HE ARG 109 HE ARG 109 6.522 23.163 2.933 818 HH11 ARG 109 1HH1 ARG 109 9.565 24.849 3.647 819 HH12 ARG 109 2HH1 ARG 109 9.959 23.733 4.915 820 HH21 ARG 109 1HH2 ARG 109 7.090 21.843 4.551 821 HH22 ARG 109 2HH2 ARG 109 8.605 22.046 5.409 822 H ASN 110 H ASN 110 11.176 23.841 -0.846 823 HA ASN 110 HA ASN 110 11.966 21.202 0.266 824 HB2 ASN 110 1HB ASN 110 13.270 22.732 -1.548 825 HB3 ASN 110 2HB ASN 110 13.879 23.399 -0.031 826 HD21 ASN 110 1HD2 ASN 110 15.241 19.891 -1.214 827 HD22 ASN 110 2HD2 ASN 110 14.001 20.710 -2.124 828 HA PRO 111 HA PRO 111 11.823 23.227 4.215 829 HB2 PRO 111 1HB PRO 111 13.079 21.397 5.775 830 HB3 PRO 111 2HB PRO 111 11.463 21.081 5.057 831 HG2 PRO 111 1HG PRO 111 14.176 20.253 4.041 832 HG3 PRO 111 2HG PRO 111 12.715 19.239 4.291 833 HD2 PRO 111 1HD PRO 111 13.412 20.253 1.888 834 HD3 PRO 111 2HD PRO 111 11.705 20.115 2.347 835 H ALA 112 H ALA 112 14.871 22.317 2.686 836 HA ALA 112 HA ALA 112 16.499 23.707 4.684 837 HB1 ALA 112 1HB ALA 112 18.345 23.210 3.127 838 HB2 ALA 112 2HB ALA 112 17.183 22.667 1.894 839 HB3 ALA 112 3HB ALA 112 17.365 21.753 3.414 840 H ASN 113 H ASN 113 14.764 24.461 1.784 841 HA ASN 113 HA ASN 113 16.329 26.933 1.325 842 HB2 ASN 113 1HB ASN 113 14.130 25.586 -0.283 843 HB3 ASN 113 2HB ASN 113 14.946 27.072 -0.747 844 HD21 ASN 113 1HD2 ASN 113 16.523 24.087 -2.388 845 HD22 ASN 113 2HD2 ASN 113 14.871 24.638 -2.234 846 H ASN 114 H ASN 114 13.251 25.926 2.658 847 HA ASN 114 HA ASN 114 12.610 28.727 3.254 848 HB2 ASN 114 1HB ASN 114 11.663 28.621 1.054 849 HB3 ASN 114 2HB ASN 114 10.900 27.057 1.399 850 HD21 ASN 114 1HD2 ASN 114 8.064 28.425 2.748 851 HD22 ASN 114 2HD2 ASN 114 8.896 27.113 1.950 852 H ALA 115 H ALA 115 11.006 28.998 4.830 853 HA ALA 115 HA ALA 115 10.601 26.617 6.527 854 HB1 ALA 115 1HB ALA 115 9.929 29.558 6.978 855 HB2 ALA 115 2HB ALA 115 11.404 28.727 7.537 856 HB3 ALA 115 3HB ALA 115 9.815 28.265 8.194 857 H ALA 116 H ALA 116 8.599 25.838 7.165 858 HA ALA 116 HA ALA 116 6.444 26.051 5.273 859 HB1 ALA 116 1HB ALA 116 5.272 24.505 6.753 860 HB2 ALA 116 2HB ALA 116 6.439 24.812 8.059 861 HB3 ALA 116 3HB ALA 116 6.957 23.976 6.578 862 H ILE 117 H ILE 117 4.384 26.853 5.552 863 HA ILE 117 HA ILE 117 4.202 29.325 7.109 864 HB ILE 117 HB ILE 117 2.180 27.862 5.371 865 HG12 ILE 117 1HG1 ILE 117 3.619 30.369 4.547 866 HG13 ILE 117 2HG1 ILE 117 4.437 28.823 4.390 867 HG21 ILE 117 1HG2 ILE 117 1.042 30.088 5.228 868 HG22 ILE 117 2HG2 ILE 117 2.200 30.734 6.409 869 HG23 ILE 117 3HG2 ILE 117 1.052 29.457 6.878 870 HD11 ILE 117 1HD1 ILE 117 3.348 29.415 2.319 871 HD12 ILE 117 2HD1 ILE 117 1.777 29.512 3.149 872 HD13 ILE 117 3HD1 ILE 117 2.625 27.948 3.019 873 H VAL 118 H VAL 118 3.015 29.560 9.058 874 HA VAL 118 HA VAL 118 2.193 27.259 10.555 875 HB VAL 118 HB VAL 118 1.288 30.179 10.798 876 HG11 VAL 118 1HG1 VAL 118 0.752 29.574 13.154 877 HG12 VAL 118 2HG1 VAL 118 1.112 27.875 12.781 878 HG13 VAL 118 3HG1 VAL 118 -0.251 28.694 11.984 879 HG21 VAL 118 1HG2 VAL 118 3.004 30.259 12.648 880 HG22 VAL 118 2HG2 VAL 118 3.700 30.056 11.030 881 HG23 VAL 118 3HG2 VAL 118 3.574 28.660 12.121 882 H LEU 119 H LEU 119 0.472 25.983 10.190 883 HA LEU 119 HA LEU 119 -1.341 26.578 8.052 884 HB2 LEU 119 1HB LEU 119 -0.552 24.319 8.937 885 HB3 LEU 119 2HB LEU 119 -1.742 24.493 10.221 886 HG LEU 119 HG LEU 119 -2.593 24.738 7.331 887 HD11 LEU 119 1HD1 LEU 119 -2.897 22.340 7.176 888 HD12 LEU 119 2HD1 LEU 119 -2.228 22.111 8.810 889 HD13 LEU 119 3HD1 LEU 119 -1.195 22.701 7.500 890 HD21 LEU 119 1HD2 LEU 119 -3.932 23.776 9.889 891 HD22 LEU 119 2HD2 LEU 119 -4.662 23.608 8.282 892 HD23 LEU 119 3HD2 LEU 119 -4.331 25.217 8.937 893 H GLN 120 H GLN 120 -3.161 27.697 8.026 894 HA GLN 120 HA GLN 120 -4.651 28.200 10.568 895 HB2 GLN 120 1HB GLN 120 -3.854 30.204 8.428 896 HB3 GLN 120 2HB GLN 120 -5.038 30.528 9.702 897 HG2 GLN 120 1HG GLN 120 -3.432 30.600 11.364 898 HG3 GLN 120 2HG GLN 120 -2.278 29.656 10.428 899 HE21 GLN 120 1HE2 GLN 120 -0.823 32.393 8.825 900 HE22 GLN 120 2HE2 GLN 120 -0.912 30.647 8.980 901 H LEU 121 H LEU 121 -6.910 28.741 10.081 902 HA LEU 121 HA LEU 121 -7.754 27.642 7.429 903 HB2 LEU 121 1HB LEU 121 -8.907 27.490 10.204 904 HB3 LEU 121 2HB LEU 121 -10.007 27.500 8.838 905 HG LEU 121 HG LEU 121 -7.820 25.444 9.238 906 HD11 LEU 121 1HD1 LEU 121 -9.779 23.986 9.846 907 HD12 LEU 121 2HD1 LEU 121 -10.799 25.440 9.841 908 HD13 LEU 121 3HD1 LEU 121 -9.468 25.297 11.002 909 HD21 LEU 121 1HD2 LEU 121 -9.149 24.150 7.540 910 HD22 LEU 121 2HD2 LEU 121 -8.462 25.637 6.868 911 HD23 LEU 121 3HD2 LEU 121 -10.188 25.577 7.293 912 HA PRO 122 HA PRO 122 -9.400 31.615 6.706 913 HB2 PRO 122 1HB PRO 122 -11.352 31.143 4.876 914 HB3 PRO 122 2HB PRO 122 -9.601 30.922 4.489 915 HG2 PRO 122 1HG PRO 122 -11.638 28.872 5.330 916 HG3 PRO 122 2HG PRO 122 -10.525 28.844 3.924 917 HD2 PRO 122 1HD PRO 122 -9.941 27.576 6.226 918 HD3 PRO 122 2HD PRO 122 -8.665 28.394 5.261 919 H GLN 123 H GLN 123 -11.321 32.951 6.907 920 HA GLN 123 HA GLN 123 -12.805 32.467 9.246 921 HB2 GLN 123 1HB GLN 123 -12.455 34.685 8.142 922 HB3 GLN 123 2HB GLN 123 -13.556 34.194 6.850 923 HG2 GLN 123 1HG GLN 123 -15.400 34.023 8.472 924 HG3 GLN 123 2HG GLN 123 -14.302 34.500 9.777 925 HE21 GLN 123 1HE2 GLN 123 -16.168 37.297 7.648 926 HE22 GLN 123 2HE2 GLN 123 -16.597 35.604 7.656 927 H GLY 124 H GLY 124 -14.563 31.293 9.687 928 HA2 GLY 124 1HA GLY 124 -16.766 30.485 9.063 929 HA3 GLY 124 2HA GLY 124 -16.192 30.270 7.404 930 H THR 125 H THR 125 -13.549 29.084 8.412 931 HA THR 125 HA THR 125 -14.739 26.424 9.075 932 HB THR 125 HB THR 125 -11.929 26.872 8.048 933 HG1 THR 125 HG1 THR 125 -13.424 27.767 6.563 934 HG21 THR 125 1HG2 THR 125 -12.198 24.554 7.291 935 HG22 THR 125 2HG2 THR 125 -13.882 24.537 7.843 936 HG23 THR 125 3HG2 THR 125 -12.565 24.637 9.021 937 H THR 126 H THR 126 -14.374 25.480 10.942 938 HA THR 126 HA THR 126 -12.248 26.588 12.718 939 HB THR 126 HB THR 126 -13.781 25.534 14.534 940 HG1 THR 126 HG1 THR 126 -15.942 25.367 13.893 941 HG21 THR 126 1HG2 THR 126 -15.138 27.558 14.677 942 HG22 THR 126 2HG2 THR 126 -14.777 27.949 12.979 943 HG23 THR 126 3HG2 THR 126 -13.474 27.964 14.196 944 H LEU 127 H LEU 127 -11.034 25.139 13.911 945 HA LEU 127 HA LEU 127 -10.637 22.545 12.673 946 HB2 LEU 127 1HB LEU 127 -9.563 23.734 15.240 947 HB3 LEU 127 2HB LEU 127 -9.035 22.209 14.577 948 HG LEU 127 HG LEU 127 -8.690 24.858 13.142 949 HD11 LEU 127 1HD1 LEU 127 -6.349 24.760 13.836 950 HD12 LEU 127 2HD1 LEU 127 -6.664 23.273 14.762 951 HD13 LEU 127 3HD1 LEU 127 -7.411 24.806 15.260 952 HD21 LEU 127 1HD2 LEU 127 -7.083 23.587 11.771 953 HD22 LEU 127 2HD2 LEU 127 -8.696 22.867 11.677 954 HD23 LEU 127 3HD2 LEU 127 -7.451 22.108 12.692 955 HA PRO 128 HA PRO 128 -13.489 20.390 15.290 956 HB2 PRO 128 1HB PRO 128 -12.658 17.840 15.044 957 HB3 PRO 128 2HB PRO 128 -13.301 18.756 13.653 958 HG2 PRO 128 1HG PRO 128 -10.500 18.186 14.418 959 HG3 PRO 128 2HG PRO 128 -11.295 18.076 12.827 960 HD2 PRO 128 1HD PRO 128 -9.754 20.216 13.671 961 HD3 PRO 128 2HD PRO 128 -11.041 20.351 12.438 962 H LYS 129 H LYS 129 -13.229 18.308 17.008 963 HA LYS 129 HA LYS 129 -12.448 19.702 19.309 964 HB2 LYS 129 1HB LYS 129 -14.040 17.771 19.167 965 HB3 LYS 129 2HB LYS 129 -12.656 16.679 19.064 966 HG2 LYS 129 1HG LYS 129 -12.733 18.612 21.363 967 HG3 LYS 129 2HG LYS 129 -13.892 17.275 21.392 968 HD2 LYS 129 1HD LYS 129 -12.260 15.661 21.676 969 HD3 LYS 129 2HD LYS 129 -11.031 16.585 20.800 970 HE2 LYS 129 1HE LYS 129 -10.925 18.198 22.714 971 HE3 LYS 129 2HE LYS 129 -12.036 17.148 23.617 972 HZ1 LYS 129 1HZ LYS 129 -9.677 16.738 24.135 973 HZ2 LYS 129 2HZ LYS 129 -9.385 16.310 22.565 974 HZ3 LYS 129 3HZ LYS 129 -10.393 15.395 23.502 975 H GLY 130 H GLY 130 -10.628 20.260 20.142 976 HA2 GLY 130 1HA GLY 130 -8.534 20.089 21.045 977 HA3 GLY 130 2HA GLY 130 -8.651 18.345 20.837 978 H PHE 131 H PHE 131 -8.886 20.358 17.971 979 HA PHE 131 HA PHE 131 -6.208 19.381 17.193 980 HB2 PHE 131 1HB PHE 131 -8.742 19.953 15.811 981 HB3 PHE 131 2HB PHE 131 -7.326 20.659 15.028 982 HD1 PHE 131 HD1 PHE 131 -5.512 19.274 14.196 983 HD2 PHE 131 HD2 PHE 131 -9.046 17.530 15.898 984 HE1 PHE 131 HE1 PHE 131 -4.918 17.096 13.161 985 HE2 PHE 131 HE2 PHE 131 -8.477 15.345 14.854 986 HZ PHE 131 HZ PHE 131 -6.407 15.127 13.493 987 H TYR 132 H TYR 132 -4.618 20.732 16.932 988 HA TYR 132 HA TYR 132 -5.144 23.638 16.792 989 HB2 TYR 132 1HB TYR 132 -3.466 24.142 18.469 990 HB3 TYR 132 2HB TYR 132 -4.746 23.152 19.170 991 HD1 TYR 132 HD1 TYR 132 -1.171 23.393 18.433 992 HD2 TYR 132 HD2 TYR 132 -4.292 20.678 19.654 993 HE1 TYR 132 HE1 TYR 132 0.535 21.817 19.338 994 HE2 TYR 132 HE2 TYR 132 -2.575 19.120 20.553 995 HH TYR 132 HH TYR 132 -0.355 18.747 20.921 996 H ALA 133 H ALA 133 -3.204 24.816 16.094 997 HA ALA 133 HA ALA 133 -1.843 23.205 14.026 998 HB1 ALA 133 1HB ALA 133 -3.138 25.175 13.296 999 HB2 ALA 133 2HB ALA 133 -1.408 25.370 12.945 1000 HB3 ALA 133 3HB ALA 133 -2.131 26.219 14.327 1001 H GLU 134 H GLU 134 0.301 23.153 13.692 1002 HA GLU 134 HA GLU 134 2.049 23.712 15.974 1003 HB2 GLU 134 1HB GLU 134 2.401 21.740 14.637 1004 HB3 GLU 134 2HB GLU 134 2.420 22.675 13.156 1005 HG2 GLU 134 1HG GLU 134 4.559 23.672 13.768 1006 HG3 GLU 134 2HG GLU 134 4.522 22.809 15.320 1007 H GLY 135 H GLY 135 3.483 25.447 16.122 1008 HA2 GLY 135 1HA GLY 135 4.647 27.333 15.323 1009 HA3 GLY 135 2HA GLY 135 3.714 27.280 13.820 1010 H SER 136 H SER 136 1.401 26.869 16.085 1011 HA SER 136 HA SER 136 0.662 29.700 16.105 1012 HB2 SER 136 1HB SER 136 -0.999 27.805 15.789 1013 HB3 SER 136 2HB SER 136 -0.678 27.322 17.468 1014 HG SER 136 HG SER 136 -2.516 28.725 17.216 1015 H ARG 137 H ARG 137 -0.160 30.386 18.430 1016 HA ARG 137 HA ARG 137 2.232 30.479 20.058 1017 HB2 ARG 137 1HB ARG 137 0.506 32.328 19.777 1018 HB3 ARG 137 2HB ARG 137 -0.541 31.425 20.877 1019 HG2 ARG 137 1HG ARG 137 2.242 31.888 21.829 1020 HG3 ARG 137 2HG ARG 137 1.256 33.347 21.642 1021 HD2 ARG 137 1HD ARG 137 -0.354 32.603 23.215 1022 HD3 ARG 137 2HD ARG 137 0.230 30.933 23.146 1023 HE ARG 137 HE ARG 137 1.803 33.184 24.335 1024 HH11 ARG 137 1HH1 ARG 137 0.765 29.811 24.455 1025 HH12 ARG 137 2HH1 ARG 137 1.761 29.462 25.858 1026 HH21 ARG 137 1HH2 ARG 137 3.006 32.664 26.134 1027 HH22 ARG 137 2HH2 ARG 137 2.986 31.036 26.786 1028 H GLY 138 H GLY 138 2.848 28.588 20.953 1029 HA2 GLY 138 1HA GLY 138 1.368 27.626 23.248 1030 HA3 GLY 138 2HA GLY 138 1.318 26.484 21.879 1031 H GLY 139 H GLY 139 2.629 25.388 23.887 1032 HA2 GLY 139 1HA GLY 139 4.680 24.415 24.370 1033 HA3 GLY 139 2HA GLY 139 5.362 25.237 22.950 1034 H SER 140 H SER 140 3.662 27.197 25.161 1035 HA SER 140 HA SER 140 5.835 28.008 26.903 1036 HB2 SER 140 1HB SER 140 5.665 30.403 25.957 1037 HB3 SER 140 2HB SER 140 6.632 29.261 24.995 1038 HG SER 140 HG SER 140 4.855 28.956 23.635 Start of MODEL 38 1 H1 GLY 1 1H GLY 1 15.778 13.208 -12.038 2 H2 GLY 1 2H GLY 1 15.874 14.677 -11.292 3 H3 GLY 1 3H GLY 1 16.234 13.305 -10.455 4 HA2 GLY 1 1HA GLY 1 18.134 12.879 -11.873 5 HA3 GLY 1 2HA GLY 1 17.759 14.384 -12.735 6 H ALA 2 H ALA 2 19.939 15.168 -12.126 7 HA ALA 2 HA ALA 2 20.702 15.459 -9.383 8 HB1 ALA 2 1HB ALA 2 22.302 15.721 -11.279 9 HB2 ALA 2 2HB ALA 2 22.277 17.176 -10.255 10 HB3 ALA 2 3HB ALA 2 21.422 17.177 -11.814 11 H MET 3 H MET 3 20.160 16.989 -7.900 12 HA MET 3 HA MET 3 18.897 18.521 -6.812 13 HB2 MET 3 1HB MET 3 19.014 20.059 -9.423 14 HB3 MET 3 2HB MET 3 18.574 20.723 -7.848 15 HG2 MET 3 1HG MET 3 20.822 20.215 -6.986 16 HG3 MET 3 2HG MET 3 21.265 19.502 -8.546 17 HE1 MET 3 1HE MET 3 20.688 24.030 -7.698 18 HE2 MET 3 2HE MET 3 20.762 22.756 -6.460 19 HE3 MET 3 3HE MET 3 19.325 22.905 -7.503 20 H GLY 4 H GLY 4 17.534 16.550 -8.831 21 HA2 GLY 4 1HA GLY 4 14.786 17.684 -8.483 22 HA3 GLY 4 2HA GLY 4 15.297 16.891 -9.993 23 H LEU 5 H LEU 5 15.585 16.333 -6.489 24 HA LEU 5 HA LEU 5 15.419 13.418 -6.855 25 HB2 LEU 5 1HB LEU 5 15.863 15.324 -4.539 26 HB3 LEU 5 2HB LEU 5 15.459 13.644 -4.245 27 HG LEU 5 HG LEU 5 17.492 12.946 -5.510 28 HD11 LEU 5 1HD1 LEU 5 19.325 14.628 -5.767 29 HD12 LEU 5 2HD1 LEU 5 18.152 15.921 -5.419 30 HD13 LEU 5 3HD1 LEU 5 17.969 14.908 -6.874 31 HD21 LEU 5 1HD2 LEU 5 19.009 13.487 -3.647 32 HD22 LEU 5 2HD2 LEU 5 17.390 13.066 -3.056 33 HD23 LEU 5 3HD2 LEU 5 17.902 14.771 -3.108 34 HA PRO 6 HA PRO 6 11.081 13.308 -5.963 35 HB2 PRO 6 1HB PRO 6 10.762 11.104 -4.370 36 HB3 PRO 6 2HB PRO 6 11.134 10.978 -6.119 37 HG2 PRO 6 1HG PRO 6 13.010 10.854 -3.768 38 HG3 PRO 6 2HG PRO 6 12.852 9.718 -5.146 39 HD2 PRO 6 1HD PRO 6 14.744 11.624 -5.130 40 HD3 PRO 6 2HD PRO 6 13.864 11.218 -6.645 41 H ASN 7 H ASN 7 13.482 13.470 -3.495 42 HA ASN 7 HA ASN 7 11.784 13.949 -1.217 43 HB2 ASN 7 1HB ASN 7 14.672 14.775 -1.700 44 HB3 ASN 7 2HB ASN 7 13.869 14.612 -0.133 45 HD21 ASN 7 1HD2 ASN 7 14.333 11.150 0.070 46 HD22 ASN 7 2HD2 ASN 7 13.615 12.583 0.766 47 H ASN 8 H ASN 8 12.099 15.764 -3.957 48 HA ASN 8 HA ASN 8 12.280 18.420 -2.734 49 HB2 ASN 8 1HB ASN 8 11.586 17.443 -5.537 50 HB3 ASN 8 2HB ASN 8 11.579 19.148 -5.075 51 HD21 ASN 8 1HD2 ASN 8 14.817 19.126 -6.430 52 HD22 ASN 8 2HD2 ASN 8 13.127 19.460 -6.725 53 H THR 9 H THR 9 9.983 16.236 -2.249 54 HA THR 9 HA THR 9 7.778 18.152 -2.625 55 HB THR 9 HB THR 9 6.231 16.199 -2.829 56 HG1 THR 9 HG1 THR 9 8.646 14.688 -3.108 57 HG21 THR 9 1HG2 THR 9 8.463 16.172 -4.903 58 HG22 THR 9 2HG2 THR 9 7.105 17.322 -4.868 59 HG23 THR 9 3HG2 THR 9 6.800 15.590 -5.128 60 H ALA 10 H ALA 10 7.227 18.944 -0.848 61 HA ALA 10 HA ALA 10 6.910 17.246 1.565 62 HB1 ALA 10 1HB ALA 10 9.171 18.262 1.734 63 HB2 ALA 10 2HB ALA 10 8.076 18.940 2.962 64 HB3 ALA 10 3HB ALA 10 8.470 19.880 1.496 65 H SER 11 H SER 11 5.454 18.160 3.149 66 HA SER 11 HA SER 11 3.195 19.504 2.066 67 HB2 SER 11 1HB SER 11 3.166 19.982 4.808 68 HB3 SER 11 2HB SER 11 2.510 18.540 4.003 69 HG SER 11 HG SER 11 4.186 18.304 5.768 70 H TRP 12 H TRP 12 2.642 21.662 1.982 71 HA TRP 12 HA TRP 12 4.726 23.604 2.186 72 HB2 TRP 12 1HB TRP 12 1.908 23.540 1.376 73 HB3 TRP 12 2HB TRP 12 2.423 25.070 2.101 74 HD1 TRP 12 HD1 TRP 12 2.653 23.158 -1.102 75 HE1 TRP 12 HE1 TRP 12 4.103 24.347 -2.810 76 HE3 TRP 12 HE3 TRP 12 4.722 26.604 2.047 77 HZ2 TRP 12 HZ2 TRP 12 5.949 26.515 -2.816 78 HZ3 TRP 12 HZ3 TRP 12 6.363 28.247 1.114 79 HH2 TRP 12 HH2 TRP 12 6.983 28.174 -1.300 80 H PHE 13 H PHE 13 2.397 22.434 4.474 81 HA PHE 13 HA PHE 13 2.899 24.831 6.166 82 HB2 PHE 13 1HB PHE 13 0.441 23.058 6.077 83 HB3 PHE 13 2HB PHE 13 0.643 24.540 7.018 84 HD1 PHE 13 HD1 PHE 13 0.006 23.119 3.691 85 HD2 PHE 13 HD2 PHE 13 0.557 26.735 5.942 86 HE1 PHE 13 HE1 PHE 13 -0.881 24.434 1.782 87 HE2 PHE 13 HE2 PHE 13 -0.298 28.062 4.018 88 HZ PHE 13 HZ PHE 13 -1.013 26.898 1.921 89 H THR 14 H THR 14 2.590 24.558 8.433 90 HA THR 14 HA THR 14 4.033 22.311 9.525 91 HB THR 14 HB THR 14 3.373 23.306 11.712 92 HG1 THR 14 HG1 THR 14 2.000 25.022 11.795 93 HG21 THR 14 1HG2 THR 14 4.252 25.408 9.709 94 HG22 THR 14 2HG2 THR 14 5.318 24.254 10.545 95 HG23 THR 14 3HG2 THR 14 4.438 25.488 11.473 96 H ALA 15 H ALA 15 3.031 20.994 11.385 97 HA ALA 15 HA ALA 15 0.746 19.642 10.201 98 HB1 ALA 15 1HB ALA 15 2.089 19.146 12.871 99 HB2 ALA 15 2HB ALA 15 2.671 18.503 11.322 100 HB3 ALA 15 3HB ALA 15 1.080 18.017 11.937 101 H LEU 16 H LEU 16 -1.230 19.255 11.077 102 HA LEU 16 HA LEU 16 -2.182 21.099 13.217 103 HB2 LEU 16 1HB LEU 16 -3.501 19.118 11.326 104 HB3 LEU 16 2HB LEU 16 -4.306 19.708 12.760 105 HG LEU 16 HG LEU 16 -3.462 21.408 10.441 106 HD11 LEU 16 1HD1 LEU 16 -5.883 21.618 10.071 107 HD12 LEU 16 2HD1 LEU 16 -6.203 20.566 11.473 108 HD13 LEU 16 3HD1 LEU 16 -5.400 19.910 10.029 109 HD21 LEU 16 1HD2 LEU 16 -4.836 23.152 11.676 110 HD22 LEU 16 2HD2 LEU 16 -3.276 22.748 12.411 111 HD23 LEU 16 3HD2 LEU 16 -4.783 22.082 13.093 112 H THR 17 H THR 17 -2.691 20.228 15.239 113 HA THR 17 HA THR 17 -1.804 17.395 15.670 114 HB THR 17 HB THR 17 -1.355 19.781 17.506 115 HG1 THR 17 HG1 THR 17 -0.081 19.851 15.590 116 HG21 THR 17 1HG2 THR 17 0.227 18.228 18.607 117 HG22 THR 17 2HG2 THR 17 -0.357 16.918 17.550 118 HG23 THR 17 3HG2 THR 17 -1.464 17.695 18.719 119 H GLN 18 H GLN 18 -3.065 16.201 17.076 120 HA GLN 18 HA GLN 18 -5.657 17.503 17.822 121 HB2 GLN 18 1HB GLN 18 -5.934 16.109 15.937 122 HB3 GLN 18 2HB GLN 18 -4.938 14.849 16.598 123 HG2 GLN 18 1HG GLN 18 -7.186 14.076 16.577 124 HG3 GLN 18 2HG GLN 18 -6.729 14.318 18.257 125 HE21 GLN 18 1HE2 GLN 18 -10.151 15.755 17.246 126 HE22 GLN 18 2HE2 GLN 18 -9.338 14.281 16.722 127 H HIS 19 H HIS 19 -6.695 17.052 19.635 128 HA HIS 19 HA HIS 19 -5.723 14.810 21.363 129 HB2 HIS 19 1HB HIS 19 -4.882 16.855 22.409 130 HB3 HIS 19 2HB HIS 19 -6.460 17.632 22.232 131 HD1 HIS 19 HD1 HIS 19 -4.783 14.837 24.231 132 HD2 HIS 19 HD2 HIS 19 -8.248 17.146 24.222 133 HE1 HIS 19 HE1 HIS 19 -6.005 14.341 26.392 134 H GLY 20 H GLY 20 -7.404 13.432 20.830 135 HA2 GLY 20 1HA GLY 20 -9.985 13.835 21.921 136 HA3 GLY 20 2HA GLY 20 -10.039 14.273 20.195 137 H LYS 21 H LYS 21 -11.539 12.327 20.125 138 HA LYS 21 HA LYS 21 -10.019 9.734 20.125 139 HB2 LYS 21 1HB LYS 21 -12.989 10.373 19.864 140 HB3 LYS 21 2HB LYS 21 -12.292 8.753 19.771 141 HG2 LYS 21 1HG LYS 21 -11.453 9.004 22.098 142 HG3 LYS 21 2HG LYS 21 -12.257 10.587 22.191 143 HD2 LYS 21 1HD LYS 21 -14.431 9.495 21.705 144 HD3 LYS 21 2HD LYS 21 -13.615 7.917 21.654 145 HE2 LYS 21 1HE LYS 21 -12.888 8.233 24.009 146 HE3 LYS 21 2HE LYS 21 -13.755 9.784 24.056 147 HZ1 LYS 21 1HZ LYS 21 -15.090 7.993 24.982 148 HZ2 LYS 21 2HZ LYS 21 -15.005 7.135 23.576 149 HZ3 LYS 21 3HZ LYS 21 -15.810 8.573 23.616 150 H GLU 22 H GLU 22 -11.493 12.190 18.229 151 HA GLU 22 HA GLU 22 -11.703 10.711 15.748 152 HB2 GLU 22 1HB GLU 22 -11.580 13.710 16.244 153 HB3 GLU 22 2HB GLU 22 -12.213 12.902 14.808 154 HG2 GLU 22 1HG GLU 22 -14.177 13.214 15.800 155 HG3 GLU 22 2HG GLU 22 -13.739 11.751 16.687 156 H ASP 23 H ASP 23 -10.400 11.025 13.907 157 HA ASP 23 HA ASP 23 -7.584 11.664 14.602 158 HB2 ASP 23 1HB ASP 23 -8.862 9.954 12.654 159 HB3 ASP 23 2HB ASP 23 -7.809 11.097 11.840 160 H LEU 24 H LEU 24 -9.761 12.514 11.859 161 HA LEU 24 HA LEU 24 -9.636 15.332 12.270 162 HB2 LEU 24 1HB LEU 24 -7.299 15.113 11.426 163 HB3 LEU 24 2HB LEU 24 -7.889 14.265 10.007 164 HG LEU 24 HG LEU 24 -8.996 16.276 9.196 165 HD11 LEU 24 1HD1 LEU 24 -9.571 17.356 11.401 166 HD12 LEU 24 2HD1 LEU 24 -8.819 18.453 10.239 167 HD13 LEU 24 3HD1 LEU 24 -7.864 17.796 11.578 168 HD21 LEU 24 1HD2 LEU 24 -7.017 17.640 8.745 169 HD22 LEU 24 2HD2 LEU 24 -6.639 15.908 8.650 170 HD23 LEU 24 3HD2 LEU 24 -6.154 16.845 10.082 171 H LYS 25 H LYS 25 -11.274 16.263 11.010 172 HA LYS 25 HA LYS 25 -12.125 14.971 8.532 173 HB2 LYS 25 1HB LYS 25 -13.274 13.820 10.611 174 HB3 LYS 25 2HB LYS 25 -14.257 15.282 10.667 175 HG2 LYS 25 1HG LYS 25 -13.968 13.672 8.113 176 HG3 LYS 25 2HG LYS 25 -15.111 13.175 9.369 177 HD2 LYS 25 1HD LYS 25 -16.324 15.275 9.192 178 HD3 LYS 25 2HD LYS 25 -15.118 15.910 8.068 179 HE2 LYS 25 1HE LYS 25 -15.657 13.954 6.538 180 HE3 LYS 25 2HE LYS 25 -17.069 13.655 7.578 181 HZ1 LYS 25 1HZ LYS 25 -17.601 15.081 5.685 182 HZ2 LYS 25 2HZ LYS 25 -16.472 16.195 6.154 183 HZ3 LYS 25 3HZ LYS 25 -17.804 15.915 7.095 184 H PHE 26 H PHE 26 -12.790 16.580 7.168 185 HA PHE 26 HA PHE 26 -13.641 19.167 8.416 186 HB2 PHE 26 1HB PHE 26 -11.869 18.597 6.039 187 HB3 PHE 26 2HB PHE 26 -12.766 20.111 6.151 188 HD1 PHE 26 HD1 PHE 26 -12.613 20.917 8.934 189 HD2 PHE 26 HD2 PHE 26 -9.575 19.079 6.469 190 HE1 PHE 26 HE1 PHE 26 -10.852 21.922 10.357 191 HE2 PHE 26 HE2 PHE 26 -7.825 20.057 7.935 192 HZ PHE 26 HZ PHE 26 -8.451 21.487 9.864 193 HA PRO 27 HA PRO 27 -17.264 18.742 5.879 194 HB2 PRO 27 1HB PRO 27 -18.182 21.307 5.771 195 HB3 PRO 27 2HB PRO 27 -18.189 20.356 7.286 196 HG2 PRO 27 1HG PRO 27 -16.316 22.448 6.391 197 HG3 PRO 27 2HG PRO 27 -17.020 22.163 7.992 198 HD2 PRO 27 1HD PRO 27 -14.469 21.402 7.212 199 HD3 PRO 27 2HD PRO 27 -15.400 20.641 8.547 200 H ARG 28 H ARG 28 -18.256 19.423 3.782 201 HA ARG 28 HA ARG 28 -16.248 19.612 1.705 202 HB2 ARG 28 1HB ARG 28 -18.368 18.325 1.509 203 HB3 ARG 28 2HB ARG 28 -19.278 19.838 1.545 204 HG2 ARG 28 1HG ARG 28 -17.154 19.566 -0.556 205 HG3 ARG 28 2HG ARG 28 -18.626 18.593 -0.748 206 HD2 ARG 28 1HD ARG 28 -20.020 20.569 -0.642 207 HD3 ARG 28 2HD ARG 28 -18.639 21.589 -0.253 208 HE ARG 28 HE ARG 28 -18.384 20.186 -2.797 209 HH11 ARG 28 1HH1 ARG 28 -19.534 23.150 -1.250 210 HH12 ARG 28 2HH1 ARG 28 -19.417 24.074 -2.739 211 HH21 ARG 28 1HH2 ARG 28 -18.292 21.440 -4.646 212 HH22 ARG 28 2HH2 ARG 28 -18.736 23.135 -4.599 213 H GLY 29 H GLY 29 -15.627 21.331 0.435 214 HA2 GLY 29 1HA GLY 29 -15.759 23.467 -0.504 215 HA3 GLY 29 2HA GLY 29 -17.184 23.818 0.495 216 H GLN 30 H GLN 30 -14.843 22.411 2.375 217 HA GLN 30 HA GLN 30 -13.550 24.937 3.229 218 HB2 GLN 30 1HB GLN 30 -15.489 23.193 4.738 219 HB3 GLN 30 2HB GLN 30 -14.274 24.117 5.607 220 HG2 GLN 30 1HG GLN 30 -15.168 26.187 4.744 221 HG3 GLN 30 2HG GLN 30 -16.393 25.290 3.821 222 HE21 GLN 30 1HE2 GLN 30 -16.715 25.622 7.885 223 HE22 GLN 30 2HE2 GLN 30 -15.164 25.906 7.093 224 H GLY 31 H GLY 31 -12.179 24.249 5.267 225 HA2 GLY 31 1HA GLY 31 -10.941 22.578 6.404 226 HA3 GLY 31 2HA GLY 31 -11.255 21.443 5.083 227 H VAL 32 H VAL 32 -10.578 23.486 3.046 228 HA VAL 32 HA VAL 32 -7.776 22.933 2.828 229 HB VAL 32 HB VAL 32 -9.466 25.102 1.455 230 HG11 VAL 32 1HG1 VAL 32 -6.741 23.997 0.806 231 HG12 VAL 32 2HG1 VAL 32 -7.148 25.651 1.328 232 HG13 VAL 32 3HG1 VAL 32 -7.699 25.062 -0.230 233 HG21 VAL 32 1HG2 VAL 32 -10.311 22.841 0.976 234 HG22 VAL 32 2HG2 VAL 32 -8.672 22.322 0.507 235 HG23 VAL 32 3HG2 VAL 32 -9.529 23.542 -0.454 236 HA PRO 33 HA PRO 33 -6.619 26.134 5.693 237 HB2 PRO 33 1HB PRO 33 -3.911 25.929 5.455 238 HB3 PRO 33 2HB PRO 33 -4.905 24.685 6.274 239 HG2 PRO 33 1HG PRO 33 -3.831 24.705 3.501 240 HG3 PRO 33 2HG PRO 33 -3.812 23.407 4.720 241 HD2 PRO 33 1HD PRO 33 -5.602 23.461 2.747 242 HD3 PRO 33 2HD PRO 33 -5.969 22.803 4.371 243 H ILE 34 H ILE 34 -5.234 28.152 5.655 244 HA ILE 34 HA ILE 34 -5.800 29.629 3.238 245 HB ILE 34 HB ILE 34 -4.059 30.301 5.640 246 HG12 ILE 34 1HG1 ILE 34 -6.828 31.247 4.828 247 HG13 ILE 34 2HG1 ILE 34 -6.501 29.986 6.015 248 HG21 ILE 34 1HG2 ILE 34 -3.354 31.585 3.601 249 HG22 ILE 34 2HG2 ILE 34 -4.068 32.623 4.834 250 HG23 ILE 34 3HG2 ILE 34 -5.031 32.155 3.411 251 HD11 ILE 34 1HD1 ILE 34 -5.236 31.608 7.355 252 HD12 ILE 34 2HD1 ILE 34 -6.950 32.011 7.156 253 HD13 ILE 34 3HD1 ILE 34 -5.731 32.873 6.204 254 H ASN 35 H ASN 35 -4.803 29.347 1.462 255 HA ASN 35 HA ASN 35 -1.984 28.406 1.507 256 HB2 ASN 35 1HB ASN 35 -3.984 28.315 -0.733 257 HB3 ASN 35 2HB ASN 35 -2.353 27.686 -0.807 258 HD21 ASN 35 1HD2 ASN 35 -5.154 25.216 0.152 259 HD22 ASN 35 2HD2 ASN 35 -5.280 26.651 -0.837 260 H THR 36 H THR 36 -0.880 30.283 1.761 261 HA THR 36 HA THR 36 -1.429 32.700 0.304 262 HB THR 36 HB THR 36 0.806 33.382 1.157 263 HG1 THR 36 HG1 THR 36 2.102 31.866 2.148 264 HG21 THR 36 1HG2 THR 36 -0.632 31.704 3.241 265 HG22 THR 36 2HG2 THR 36 -1.206 33.300 2.695 266 HG23 THR 36 3HG2 THR 36 0.364 33.151 3.515 267 H ASN 37 H ASN 37 0.086 29.788 -0.541 268 HA ASN 37 HA ASN 37 1.662 31.042 -2.741 269 HB2 ASN 37 1HB ASN 37 2.938 28.944 -2.760 270 HB3 ASN 37 2HB ASN 37 2.908 29.636 -1.133 271 HD21 ASN 37 1HD2 ASN 37 1.238 26.945 0.348 272 HD22 ASN 37 2HD2 ASN 37 1.887 28.561 0.524 273 H SER 38 H SER 38 -1.373 30.405 -2.811 274 HA SER 38 HA SER 38 -1.197 28.704 -5.251 275 HB2 SER 38 1HB SER 38 -3.180 28.300 -3.002 276 HB3 SER 38 2HB SER 38 -3.052 27.338 -4.478 277 HG SER 38 HG SER 38 -0.658 27.341 -3.456 278 H SER 39 H SER 39 -2.658 28.900 -6.810 279 HA SER 39 HA SER 39 -4.218 31.320 -7.087 280 HB2 SER 39 1HB SER 39 -4.478 28.784 -8.700 281 HB3 SER 39 2HB SER 39 -4.645 30.462 -9.258 282 HG SER 39 HG SER 39 -2.431 28.870 -9.025 283 HA PRO 40 HA PRO 40 -7.931 29.887 -5.360 284 HB2 PRO 40 1HB PRO 40 -10.001 30.425 -7.075 285 HB3 PRO 40 2HB PRO 40 -9.127 31.699 -6.162 286 HG2 PRO 40 1HG PRO 40 -8.669 30.775 -8.994 287 HG3 PRO 40 2HG PRO 40 -8.914 32.443 -8.377 288 HD2 PRO 40 1HD PRO 40 -6.440 31.494 -8.828 289 HD3 PRO 40 2HD PRO 40 -6.776 32.508 -7.381 290 H ASP 41 H ASP 41 -7.370 28.749 -8.699 291 HA ASP 41 HA ASP 41 -9.195 26.502 -8.422 292 HB2 ASP 41 1HB ASP 41 -8.449 25.778 -10.505 293 HB3 ASP 41 2HB ASP 41 -8.410 27.543 -10.616 294 H ASP 42 H ASP 42 -6.037 27.231 -7.394 295 HA ASP 42 HA ASP 42 -4.930 24.550 -7.396 296 HB2 ASP 42 1HB ASP 42 -4.058 27.295 -6.669 297 HB3 ASP 42 2HB ASP 42 -3.176 25.952 -5.996 298 H GLN 43 H GLN 43 -6.940 26.242 -5.254 299 HA GLN 43 HA GLN 43 -5.900 25.658 -2.702 300 HB2 GLN 43 1HB GLN 43 -8.779 25.805 -3.629 301 HB3 GLN 43 2HB GLN 43 -8.239 25.941 -1.960 302 HG2 GLN 43 1HG GLN 43 -7.591 27.856 -4.211 303 HG3 GLN 43 2HG GLN 43 -8.714 28.147 -2.884 304 HE21 GLN 43 1HE2 GLN 43 -4.929 29.204 -2.523 305 HE22 GLN 43 2HE2 GLN 43 -5.768 28.889 -4.021 306 H ILE 44 H ILE 44 -7.603 23.439 -4.850 307 HA ILE 44 HA ILE 44 -8.600 21.627 -2.953 308 HB ILE 44 HB ILE 44 -9.206 21.703 -5.306 309 HG12 ILE 44 1HG1 ILE 44 -8.100 18.951 -4.871 310 HG13 ILE 44 2HG1 ILE 44 -9.386 19.601 -3.847 311 HG21 ILE 44 1HG2 ILE 44 -7.646 20.602 -6.993 312 HG22 ILE 44 2HG2 ILE 44 -6.363 20.798 -5.806 313 HG23 ILE 44 3HG2 ILE 44 -7.211 22.225 -6.446 314 HD11 ILE 44 1HD1 ILE 44 -9.533 19.369 -6.881 315 HD12 ILE 44 2HD1 ILE 44 -10.813 19.992 -5.823 316 HD13 ILE 44 3HD1 ILE 44 -10.326 18.292 -5.724 317 H GLY 45 H GLY 45 -7.923 19.812 -1.894 318 HA2 GLY 45 1HA GLY 45 -5.441 18.508 -2.403 319 HA3 GLY 45 2HA GLY 45 -5.205 19.701 -1.124 320 H TYR 46 H TYR 46 -4.663 17.945 0.274 321 HA TYR 46 HA TYR 46 -7.046 16.900 1.622 322 HB2 TYR 46 1HB TYR 46 -6.433 14.578 1.436 323 HB3 TYR 46 2HB TYR 46 -6.502 15.231 -0.191 324 HD1 TYR 46 HD1 TYR 46 -4.401 13.885 2.465 325 HD2 TYR 46 HD2 TYR 46 -4.416 15.526 -1.509 326 HE1 TYR 46 HE1 TYR 46 -2.079 12.989 2.049 327 HE2 TYR 46 HE2 TYR 46 -2.102 14.659 -1.899 328 HH TYR 46 HH TYR 46 -0.313 13.531 -1.011 329 H TYR 47 H TYR 47 -6.277 15.665 3.667 330 HA TYR 47 HA TYR 47 -3.627 16.794 4.523 331 HB2 TYR 47 1HB TYR 47 -6.043 16.117 6.180 332 HB3 TYR 47 2HB TYR 47 -4.453 16.372 6.851 333 HD1 TYR 47 HD1 TYR 47 -6.910 18.228 4.619 334 HD2 TYR 47 HD2 TYR 47 -3.891 18.440 7.687 335 HE1 TYR 47 HE1 TYR 47 -7.356 20.642 4.909 336 HE2 TYR 47 HE2 TYR 47 -4.363 20.861 7.960 337 HH TYR 47 HH TYR 47 -6.943 22.518 6.155 338 H ARG 48 H ARG 48 -2.194 15.467 5.439 339 HA ARG 48 HA ARG 48 -2.696 12.542 5.048 340 HB2 ARG 48 1HB ARG 48 -1.056 13.877 3.587 341 HB3 ARG 48 2HB ARG 48 -0.045 14.046 5.013 342 HG2 ARG 48 1HG ARG 48 0.365 11.682 5.099 343 HG3 ARG 48 2HG ARG 48 -0.906 11.365 3.900 344 HD2 ARG 48 1HD ARG 48 0.367 12.744 2.242 345 HD3 ARG 48 2HD ARG 48 1.681 12.889 3.423 346 HE ARG 48 HE ARG 48 1.140 10.137 3.087 347 HH11 ARG 48 1HH1 ARG 48 2.358 12.796 1.103 348 HH12 ARG 48 2HH1 ARG 48 3.347 11.739 0.131 349 HH21 ARG 48 1HH2 ARG 48 2.429 8.849 1.790 350 HH22 ARG 48 2HH2 ARG 48 3.383 9.550 0.512 351 H ARG 49 H ARG 49 -2.799 11.420 6.859 352 HA ARG 49 HA ARG 49 -2.098 12.351 9.480 353 HB2 ARG 49 1HB ARG 49 -3.670 10.483 8.736 354 HB3 ARG 49 2HB ARG 49 -2.242 9.503 8.434 355 HG2 ARG 49 1HG ARG 49 -1.698 9.845 10.939 356 HG3 ARG 49 2HG ARG 49 -3.382 10.413 11.078 357 HD2 ARG 49 1HD ARG 49 -3.559 8.151 9.463 358 HD3 ARG 49 2HD ARG 49 -2.327 7.698 10.644 359 HE ARG 49 HE ARG 49 -4.548 8.771 12.061 360 HH11 ARG 49 1HH1 ARG 49 -3.828 5.955 10.001 361 HH12 ARG 49 2HH1 ARG 49 -5.037 4.978 10.770 362 HH21 ARG 49 1HH2 ARG 49 -6.068 7.417 13.001 363 HH22 ARG 49 2HH2 ARG 49 -6.248 5.769 12.434 364 H ALA 50 H ALA 50 -0.237 12.101 10.703 365 HA ALA 50 HA ALA 50 1.957 10.429 9.620 366 HB1 ALA 50 1HB ALA 50 2.382 12.684 8.709 367 HB2 ALA 50 2HB ALA 50 3.590 12.258 9.947 368 HB3 ALA 50 3HB ALA 50 2.257 13.372 10.349 369 H THR 51 H THR 51 2.851 9.275 11.196 370 HA THR 51 HA THR 51 3.172 10.331 13.911 371 HB THR 51 HB THR 51 2.064 7.800 14.433 372 HG1 THR 51 HG1 THR 51 -0.039 8.033 13.415 373 HG21 THR 51 1HG2 THR 51 0.242 9.018 15.497 374 HG22 THR 51 2HG2 THR 51 0.650 10.474 14.565 375 HG23 THR 51 3HG2 THR 51 1.782 9.854 15.789 376 H ARG 52 H ARG 52 5.035 9.485 14.768 377 HA ARG 52 HA ARG 52 5.735 6.715 14.006 378 HB2 ARG 52 1HB ARG 52 6.878 8.405 12.420 379 HB3 ARG 52 2HB ARG 52 7.863 8.856 13.816 380 HG2 ARG 52 1HG ARG 52 9.139 7.253 12.608 381 HG3 ARG 52 2HG ARG 52 8.476 6.361 13.994 382 HD2 ARG 52 1HD ARG 52 6.633 5.518 12.539 383 HD3 ARG 52 2HD ARG 52 7.330 6.396 11.166 384 HE ARG 52 HE ARG 52 9.344 4.720 12.226 385 HH11 ARG 52 1HH1 ARG 52 6.254 4.353 10.553 386 HH12 ARG 52 2HH1 ARG 52 6.716 2.831 9.841 387 HH21 ARG 52 1HH2 ARG 52 9.860 2.768 11.279 388 HH22 ARG 52 2HH2 ARG 52 8.718 1.955 10.246 389 H ARG 53 H ARG 53 6.222 5.614 15.738 390 HA ARG 53 HA ARG 53 7.300 7.043 18.132 391 HB2 ARG 53 1HB ARG 53 5.050 6.087 18.487 392 HB3 ARG 53 2HB ARG 53 5.590 4.530 17.848 393 HG2 ARG 53 1HG ARG 53 6.555 3.902 19.806 394 HG3 ARG 53 2HG ARG 53 7.190 5.530 20.116 395 HD2 ARG 53 1HD ARG 53 5.682 5.231 21.781 396 HD3 ARG 53 2HD ARG 53 4.859 6.232 20.578 397 HE ARG 53 HE ARG 53 4.238 3.489 20.104 398 HH11 ARG 53 1HH1 ARG 53 3.469 6.060 22.410 399 HH12 ARG 53 2HH1 ARG 53 1.921 5.363 22.803 400 HH21 ARG 53 1HH2 ARG 53 2.256 2.650 20.687 401 HH22 ARG 53 2HH2 ARG 53 1.253 3.472 21.850 402 H ILE 54 H ILE 54 8.976 6.350 19.137 403 HA ILE 54 HA ILE 54 10.276 3.890 18.091 404 HB ILE 54 HB ILE 54 12.358 4.872 17.865 405 HG12 ILE 54 1HG1 ILE 54 12.598 6.116 19.920 406 HG13 ILE 54 2HG1 ILE 54 13.052 7.117 18.537 407 HG21 ILE 54 1HG2 ILE 54 12.161 6.683 16.234 408 HG22 ILE 54 2HG2 ILE 54 10.513 7.039 16.794 409 HG23 ILE 54 3HG2 ILE 54 10.867 5.488 15.998 410 HD11 ILE 54 1HD1 ILE 54 10.498 7.321 20.152 411 HD12 ILE 54 2HD1 ILE 54 10.775 8.210 18.629 412 HD13 ILE 54 3HD1 ILE 54 11.817 8.499 20.036 413 H ARG 55 H ARG 55 12.213 3.497 19.755 414 HA ARG 55 HA ARG 55 11.346 4.131 22.528 415 HB2 ARG 55 1HB ARG 55 10.401 1.881 21.929 416 HB3 ARG 55 2HB ARG 55 12.022 1.350 21.472 417 HG2 ARG 55 1HG ARG 55 12.570 2.119 23.992 418 HG3 ARG 55 2HG ARG 55 10.847 1.746 24.195 419 HD2 ARG 55 1HD ARG 55 11.233 -0.503 23.236 420 HD3 ARG 55 2HD ARG 55 12.938 -0.102 22.985 421 HE ARG 55 HE ARG 55 13.342 -0.234 25.308 422 HH11 ARG 55 1HH1 ARG 55 9.966 -1.016 24.603 423 HH12 ARG 55 2HH1 ARG 55 9.722 -1.754 26.163 424 HH21 ARG 55 1HH2 ARG 55 12.946 -1.191 27.269 425 HH22 ARG 55 2HH2 ARG 55 11.376 -1.849 27.638 426 H GLY 56 H GLY 56 13.104 5.220 23.256 427 HA2 GLY 56 1HA GLY 56 15.696 3.880 23.003 428 HA3 GLY 56 2HA GLY 56 15.583 5.500 22.313 429 H GLY 57 H GLY 57 17.318 5.385 24.408 430 HA2 GLY 57 1HA GLY 57 15.967 5.827 26.952 431 HA3 GLY 57 2HA GLY 57 17.688 6.120 26.598 432 H ASP 58 H ASP 58 17.909 7.935 24.792 433 HA ASP 58 HA ASP 58 16.368 10.266 25.729 434 HB2 ASP 58 1HB ASP 58 19.029 10.048 25.163 435 HB3 ASP 58 2HB ASP 58 18.384 10.653 23.624 436 H GLY 59 H GLY 59 16.294 7.778 23.644 437 HA2 GLY 59 1HA GLY 59 14.911 9.129 21.414 438 HA3 GLY 59 2HA GLY 59 15.266 7.385 21.558 439 H LYS 60 H LYS 60 14.119 9.328 24.144 440 HA LYS 60 HA LYS 60 11.904 7.964 24.973 441 HB2 LYS 60 1HB LYS 60 11.170 10.081 25.997 442 HB3 LYS 60 2HB LYS 60 12.828 9.595 26.336 443 HG2 LYS 60 1HG LYS 60 13.020 11.236 24.054 444 HG3 LYS 60 2HG LYS 60 11.859 12.042 25.142 445 HD2 LYS 60 1HD LYS 60 13.384 11.851 26.964 446 HD3 LYS 60 2HD LYS 60 14.454 10.832 25.989 447 HE2 LYS 60 1HE LYS 60 14.929 12.716 24.470 448 HE3 LYS 60 2HE LYS 60 13.748 13.732 25.307 449 HZ1 LYS 60 1HZ LYS 60 16.282 12.732 26.490 450 HZ2 LYS 60 2HZ LYS 60 15.184 13.706 27.252 451 HZ3 LYS 60 3HZ LYS 60 16.021 14.255 25.938 452 H MET 61 H MET 61 9.705 8.809 24.977 453 HA MET 61 HA MET 61 8.480 8.368 22.545 454 HB2 MET 61 1HB MET 61 7.638 9.523 25.103 455 HB3 MET 61 2HB MET 61 6.611 9.949 23.750 456 HG2 MET 61 1HG MET 61 7.329 7.122 23.737 457 HG3 MET 61 2HG MET 61 6.536 7.590 25.247 458 HE1 MET 61 1HE MET 61 4.497 8.444 21.093 459 HE2 MET 61 2HE MET 61 6.244 8.130 21.277 460 HE3 MET 61 3HE MET 61 5.531 9.654 21.874 461 H LYS 62 H LYS 62 7.984 9.313 20.825 462 HA LYS 62 HA LYS 62 8.925 12.083 20.425 463 HB2 LYS 62 1HB LYS 62 9.529 9.832 19.130 464 HB3 LYS 62 2HB LYS 62 8.167 10.287 18.138 465 HG2 LYS 62 1HG LYS 62 10.394 12.248 18.761 466 HG3 LYS 62 2HG LYS 62 10.561 11.057 17.462 467 HD2 LYS 62 1HD LYS 62 8.207 12.968 17.601 468 HD3 LYS 62 2HD LYS 62 9.733 13.384 16.798 469 HE2 LYS 62 1HE LYS 62 9.520 11.423 15.326 470 HE3 LYS 62 2HE LYS 62 8.006 10.967 16.133 471 HZ1 LYS 62 1HZ LYS 62 7.022 13.032 15.401 472 HZ2 LYS 62 2HZ LYS 62 7.589 12.202 14.098 473 HZ3 LYS 62 3HZ LYS 62 8.429 13.508 14.666 474 H ASP 63 H ASP 63 6.293 10.265 18.729 475 HA ASP 63 HA ASP 63 4.739 12.797 18.743 476 HB2 ASP 63 1HB ASP 63 4.373 10.172 17.250 477 HB3 ASP 63 2HB ASP 63 3.212 11.509 17.202 478 H LEU 64 H LEU 64 3.935 12.949 20.789 479 HA LEU 64 HA LEU 64 2.707 10.693 22.167 480 HB2 LEU 64 1HB LEU 64 2.631 13.705 22.606 481 HB3 LEU 64 2HB LEU 64 1.762 12.574 23.620 482 HG LEU 64 HG LEU 64 3.735 13.376 24.732 483 HD11 LEU 64 1HD1 LEU 64 4.707 11.248 25.408 484 HD12 LEU 64 2HD1 LEU 64 4.065 10.461 23.950 485 HD13 LEU 64 3HD1 LEU 64 2.954 11.086 25.188 486 HD21 LEU 64 1HD2 LEU 64 5.993 12.953 24.019 487 HD22 LEU 64 2HD2 LEU 64 5.142 13.802 22.710 488 HD23 LEU 64 3HD2 LEU 64 5.435 12.056 22.592 489 H SER 65 H SER 65 1.666 13.478 20.277 490 HA SER 65 HA SER 65 -1.125 12.430 20.207 491 HB2 SER 65 1HB SER 65 -1.551 14.859 19.412 492 HB3 SER 65 2HB SER 65 -1.162 14.625 21.132 493 HG SER 65 HG SER 65 0.041 16.315 19.893 494 HA PRO 66 HA PRO 66 -0.303 11.792 15.940 495 HB2 PRO 66 1HB PRO 66 -2.739 11.915 14.742 496 HB3 PRO 66 2HB PRO 66 -2.306 10.588 15.870 497 HG2 PRO 66 1HG PRO 66 -3.833 13.105 16.413 498 HG3 PRO 66 2HG PRO 66 -4.269 11.419 16.818 499 HD2 PRO 66 1HD PRO 66 -3.114 13.101 18.621 500 HD3 PRO 66 2HD PRO 66 -2.756 11.340 18.603 501 H ARG 67 H ARG 67 -0.111 12.836 13.889 502 HA ARG 67 HA ARG 67 -0.735 15.770 13.914 503 HB2 ARG 67 1HB ARG 67 1.738 14.240 13.065 504 HB3 ARG 67 2HB ARG 67 1.390 15.847 12.437 505 HG2 ARG 67 1HG ARG 67 1.641 16.862 14.529 506 HG3 ARG 67 2HG ARG 67 1.532 15.316 15.401 507 HD2 ARG 67 1HD ARG 67 3.663 14.601 14.620 508 HD3 ARG 67 2HD ARG 67 3.740 15.894 13.412 509 HE ARG 67 HE ARG 67 4.226 16.135 16.316 510 HH11 ARG 67 1HH1 ARG 67 4.026 17.804 13.201 511 HH12 ARG 67 2HH1 ARG 67 4.834 19.232 13.815 512 HH21 ARG 67 1HH2 ARG 67 5.242 18.022 17.000 513 HH22 ARG 67 2HH2 ARG 67 5.492 19.345 15.871 514 H TRP 68 H TRP 68 -1.302 16.670 11.937 515 HA TRP 68 HA TRP 68 -1.523 14.811 9.601 516 HB2 TRP 68 1HB TRP 68 -3.664 16.610 10.780 517 HB3 TRP 68 2HB TRP 68 -3.693 16.096 9.090 518 HD1 TRP 68 HD1 TRP 68 -3.639 14.384 12.603 519 HE1 TRP 68 HE1 TRP 68 -4.956 12.198 12.517 520 HE3 TRP 68 HE3 TRP 68 -4.798 14.441 7.622 521 HZ2 TRP 68 HZ2 TRP 68 -6.312 10.675 10.538 522 HZ3 TRP 68 HZ3 TRP 68 -6.196 12.590 6.695 523 HH2 TRP 68 HH2 TRP 68 -6.960 10.731 8.179 524 H TYR 69 H TYR 69 -0.664 15.739 7.794 525 HA TYR 69 HA TYR 69 0.023 18.676 7.948 526 HB2 TYR 69 1HB TYR 69 1.261 16.342 6.438 527 HB3 TYR 69 2HB TYR 69 1.679 18.028 6.147 528 HD1 TYR 69 HD1 TYR 69 1.735 15.368 8.810 529 HD2 TYR 69 HD2 TYR 69 3.318 19.148 7.462 530 HE1 TYR 69 HE1 TYR 69 3.512 15.257 10.554 531 HE2 TYR 69 HE2 TYR 69 5.084 19.020 9.223 532 HH TYR 69 HH TYR 69 5.373 16.217 11.426 533 H PHE 70 H PHE 70 -0.261 19.856 5.846 534 HA PHE 70 HA PHE 70 -2.529 18.719 4.320 535 HB2 PHE 70 1HB PHE 70 -2.890 20.966 5.210 536 HB3 PHE 70 2HB PHE 70 -1.420 21.539 4.413 537 HD1 PHE 70 HD1 PHE 70 -1.556 22.450 2.242 538 HD2 PHE 70 HD2 PHE 70 -4.715 19.906 3.639 539 HE1 PHE 70 HE1 PHE 70 -2.869 22.969 0.199 540 HE2 PHE 70 HE2 PHE 70 -6.025 20.395 1.579 541 HZ PHE 70 HZ PHE 70 -5.107 21.944 -0.145 542 H TYR 71 H TYR 71 -2.414 18.285 2.240 543 HA TYR 71 HA TYR 71 0.144 18.770 0.788 544 HB2 TYR 71 1HB TYR 71 -1.141 16.278 1.749 545 HB3 TYR 71 2HB TYR 71 -0.522 16.233 0.074 546 HD1 TYR 71 HD1 TYR 71 1.969 16.601 -0.307 547 HD2 TYR 71 HD2 TYR 71 0.298 16.175 3.637 548 HE1 TYR 71 HE1 TYR 71 4.239 16.118 0.607 549 HE2 TYR 71 HE2 TYR 71 2.571 15.670 4.536 550 HH TYR 71 HH TYR 71 4.796 15.464 4.072 551 H TYR 72 H TYR 72 -0.326 19.431 -1.251 552 HA TYR 72 HA TYR 72 -3.061 19.869 -2.008 553 HB2 TYR 72 1HB TYR 72 -0.488 20.206 -3.554 554 HB3 TYR 72 2HB TYR 72 -2.081 20.723 -4.108 555 HD1 TYR 72 HD1 TYR 72 -3.099 22.752 -3.337 556 HD2 TYR 72 HD2 TYR 72 0.511 21.307 -1.479 557 HE1 TYR 72 HE1 TYR 72 -2.803 24.938 -2.181 558 HE2 TYR 72 HE2 TYR 72 0.760 23.487 -0.314 559 HH TYR 72 HH TYR 72 -1.393 26.214 -0.877 560 H LEU 73 H LEU 73 -4.026 19.181 -4.081 561 HA LEU 73 HA LEU 73 -4.426 16.447 -4.122 562 HB2 LEU 73 1HB LEU 73 -5.521 18.567 -5.353 563 HB3 LEU 73 2HB LEU 73 -4.608 17.939 -6.709 564 HG LEU 73 HG LEU 73 -6.903 16.634 -5.240 565 HD11 LEU 73 1HD1 LEU 73 -7.286 18.357 -7.037 566 HD12 LEU 73 2HD1 LEU 73 -7.992 16.772 -7.376 567 HD13 LEU 73 3HD1 LEU 73 -6.486 17.261 -8.177 568 HD21 LEU 73 1HD2 LEU 73 -5.421 14.796 -5.646 569 HD22 LEU 73 2HD2 LEU 73 -5.048 15.377 -7.286 570 HD23 LEU 73 3HD2 LEU 73 -6.666 14.758 -6.895 571 H GLY 74 H GLY 74 -3.267 14.737 -4.643 572 HA2 GLY 74 1HA GLY 74 -1.953 13.327 -5.880 573 HA3 GLY 74 2HA GLY 74 -1.953 14.528 -7.167 574 H THR 75 H THR 75 -0.649 15.525 -4.045 575 HA THR 75 HA THR 75 1.971 15.704 -5.387 576 HB THR 75 HB THR 75 2.662 16.928 -3.299 577 HG1 THR 75 HG1 THR 75 -0.124 16.907 -2.684 578 HG21 THR 75 1HG2 THR 75 1.253 18.914 -3.740 579 HG22 THR 75 2HG2 THR 75 0.177 17.923 -4.744 580 HG23 THR 75 3HG2 THR 75 1.868 18.175 -5.228 581 H GLY 76 H GLY 76 3.863 14.869 -4.681 582 HA2 GLY 76 1HA GLY 76 5.171 13.522 -3.144 583 HA3 GLY 76 2HA GLY 76 3.697 12.619 -2.715 584 HA PRO 77 HA PRO 77 5.750 11.187 -6.809 585 HB2 PRO 77 1HB PRO 77 7.690 9.387 -6.147 586 HB3 PRO 77 2HB PRO 77 7.973 11.138 -6.220 587 HG2 PRO 77 1HG PRO 77 7.407 9.484 -3.821 588 HG3 PRO 77 2HG PRO 77 8.734 10.643 -4.091 589 HD2 PRO 77 1HD PRO 77 6.494 11.350 -2.768 590 HD3 PRO 77 2HD PRO 77 7.340 12.494 -3.868 591 H GLU 78 H GLU 78 5.305 9.294 -3.907 592 HA GLU 78 HA GLU 78 4.385 6.915 -5.443 593 HB2 GLU 78 1HB GLU 78 4.625 5.722 -3.377 594 HB3 GLU 78 2HB GLU 78 6.060 6.737 -3.555 595 HG2 GLU 78 1HG GLU 78 4.138 8.278 -2.097 596 HG3 GLU 78 2HG GLU 78 4.127 6.653 -1.401 597 H ALA 79 H ALA 79 2.979 9.639 -4.884 598 HA ALA 79 HA ALA 79 1.100 9.322 -2.886 599 HB1 ALA 79 1HB ALA 79 0.806 10.872 -5.487 600 HB2 ALA 79 2HB ALA 79 1.549 11.453 -3.987 601 HB3 ALA 79 3HB ALA 79 -0.189 11.108 -4.027 602 H GLY 80 H GLY 80 0.528 8.704 -6.384 603 HA2 GLY 80 1HA GLY 80 -1.071 7.404 -7.432 604 HA3 GLY 80 2HA GLY 80 -0.926 6.345 -6.020 605 H LEU 81 H LEU 81 -2.149 9.701 -5.916 606 HA LEU 81 HA LEU 81 -4.749 8.590 -5.094 607 HB2 LEU 81 1HB LEU 81 -2.891 10.596 -3.870 608 HB3 LEU 81 2HB LEU 81 -4.604 10.790 -3.665 609 HG LEU 81 HG LEU 81 -3.002 8.413 -2.739 610 HD11 LEU 81 1HD1 LEU 81 -4.295 10.746 -1.281 611 HD12 LEU 81 2HD1 LEU 81 -2.553 10.434 -1.462 612 HD13 LEU 81 3HD1 LEU 81 -3.553 9.340 -0.494 613 HD21 LEU 81 1HD2 LEU 81 -5.065 7.724 -1.586 614 HD22 LEU 81 2HD2 LEU 81 -5.264 7.715 -3.350 615 HD23 LEU 81 3HD2 LEU 81 -5.948 9.037 -2.372 616 HA PRO 82 HA PRO 82 -6.255 11.813 -7.915 617 HB2 PRO 82 1HB PRO 82 -8.505 10.441 -8.615 618 HB3 PRO 82 2HB PRO 82 -6.919 10.091 -9.377 619 HG2 PRO 82 1HG PRO 82 -8.357 8.623 -7.200 620 HG3 PRO 82 2HG PRO 82 -7.422 7.979 -8.570 621 HD2 PRO 82 1HD PRO 82 -6.485 8.191 -6.030 622 HD3 PRO 82 2HD PRO 82 -5.459 8.113 -7.473 623 H TYR 83 H TYR 83 -8.297 13.082 -7.513 624 HA TYR 83 HA TYR 83 -8.670 13.452 -4.724 625 HB2 TYR 83 1HB TYR 83 -9.056 15.156 -6.505 626 HB3 TYR 83 2HB TYR 83 -10.520 14.294 -6.971 627 HD1 TYR 83 HD1 TYR 83 -12.550 14.429 -5.548 628 HD2 TYR 83 HD2 TYR 83 -8.896 16.353 -4.338 629 HE1 TYR 83 HE1 TYR 83 -13.782 15.694 -3.776 630 HE2 TYR 83 HE2 TYR 83 -10.126 17.593 -2.581 631 HH TYR 83 HH TYR 83 -12.114 17.993 -1.592 632 H GLY 84 H GLY 84 -10.011 12.590 -3.265 633 HA2 GLY 84 1HA GLY 84 -12.010 11.627 -2.510 634 HA3 GLY 84 2HA GLY 84 -12.427 11.160 -4.160 635 H ALA 85 H ALA 85 -9.366 10.062 -4.106 636 HA ALA 85 HA ALA 85 -10.212 7.352 -3.690 637 HB1 ALA 85 1HB ALA 85 -8.412 7.690 -5.169 638 HB2 ALA 85 2HB ALA 85 -7.701 6.895 -3.752 639 HB3 ALA 85 3HB ALA 85 -7.486 8.648 -3.993 640 H ASN 86 H ASN 86 -10.301 6.082 -2.063 641 HA ASN 86 HA ASN 86 -9.829 7.094 0.617 642 HB2 ASN 86 1HB ASN 86 -10.674 4.430 -0.559 643 HB3 ASN 86 2HB ASN 86 -10.557 4.718 1.191 644 HD21 ASN 86 1HD2 ASN 86 -13.366 6.980 1.202 645 HD22 ASN 86 2HD2 ASN 86 -11.774 6.797 1.896 646 H LYS 87 H LYS 87 -8.111 6.773 1.892 647 HA LYS 87 HA LYS 87 -6.301 4.495 1.528 648 HB2 LYS 87 1HB LYS 87 -5.435 6.163 -0.082 649 HB3 LYS 87 2HB LYS 87 -5.385 7.363 1.165 650 HG2 LYS 87 1HG LYS 87 -3.554 6.385 2.278 651 HG3 LYS 87 2HG LYS 87 -3.793 4.810 1.479 652 HD2 LYS 87 1HD LYS 87 -2.916 7.335 0.053 653 HD3 LYS 87 2HD LYS 87 -1.798 6.120 0.679 654 HE2 LYS 87 1HE LYS 87 -2.901 4.398 -0.786 655 HE3 LYS 87 2HE LYS 87 -3.925 5.668 -1.474 656 HZ1 LYS 87 1HZ LYS 87 -0.964 5.563 -1.674 657 HZ2 LYS 87 2HZ LYS 87 -1.907 6.758 -2.306 658 HZ3 LYS 87 3HZ LYS 87 -2.024 5.224 -2.888 659 H ASP 88 H ASP 88 -4.970 4.366 3.532 660 HA ASP 88 HA ASP 88 -6.489 5.236 5.807 661 HB2 ASP 88 1HB ASP 88 -5.023 3.230 5.870 662 HB3 ASP 88 2HB ASP 88 -3.607 4.285 5.718 663 H GLY 89 H GLY 89 -6.372 7.004 7.022 664 HA2 GLY 89 1HA GLY 89 -5.578 8.981 7.884 665 HA3 GLY 89 2HA GLY 89 -3.976 8.530 7.294 666 H ILE 90 H ILE 90 -6.703 8.845 5.069 667 HA ILE 90 HA ILE 90 -5.551 11.444 4.161 668 HB ILE 90 HB ILE 90 -6.563 9.156 2.379 669 HG12 ILE 90 1HG1 ILE 90 -4.345 8.703 3.304 670 HG13 ILE 90 2HG1 ILE 90 -4.286 8.991 1.577 671 HG21 ILE 90 1HG2 ILE 90 -7.160 11.301 1.374 672 HG22 ILE 90 2HG2 ILE 90 -5.761 10.657 0.502 673 HG23 ILE 90 3HG2 ILE 90 -5.541 11.963 1.692 674 HD11 ILE 90 1HD1 ILE 90 -2.445 9.938 3.004 675 HD12 ILE 90 2HD1 ILE 90 -3.620 11.191 3.490 676 HD13 ILE 90 3HD1 ILE 90 -3.184 10.987 1.777 677 H ILE 91 H ILE 91 -6.898 13.038 4.091 678 HA ILE 91 HA ILE 91 -9.816 12.461 3.680 679 HB ILE 91 HB ILE 91 -10.340 14.429 5.163 680 HG12 ILE 91 1HG1 ILE 91 -7.914 14.309 6.762 681 HG13 ILE 91 2HG1 ILE 91 -7.529 14.782 5.141 682 HG21 ILE 91 1HG2 ILE 91 -8.901 12.175 6.629 683 HG22 ILE 91 2HG2 ILE 91 -10.549 12.071 5.966 684 HG23 ILE 91 3HG2 ILE 91 -10.192 13.230 7.267 685 HD11 ILE 91 1HD1 ILE 91 -8.030 16.723 6.588 686 HD12 ILE 91 2HD1 ILE 91 -9.688 16.124 6.788 687 HD13 ILE 91 3HD1 ILE 91 -9.093 16.613 5.177 688 H TRP 92 H TRP 92 -10.628 13.495 1.948 689 HA TRP 92 HA TRP 92 -8.914 15.478 0.625 690 HB2 TRP 92 1HB TRP 92 -11.491 14.101 -0.178 691 HB3 TRP 92 2HB TRP 92 -10.608 15.255 -1.189 692 HD1 TRP 92 HD1 TRP 92 -10.480 11.666 0.016 693 HE1 TRP 92 HE1 TRP 92 -8.583 10.389 -1.092 694 HE3 TRP 92 HE3 TRP 92 -8.184 15.661 -2.220 695 HZ2 TRP 92 HZ2 TRP 92 -6.354 11.035 -2.714 696 HZ3 TRP 92 HZ3 TRP 92 -6.114 15.252 -3.530 697 HH2 TRP 92 HH2 TRP 92 -5.207 12.945 -3.785 698 H VAL 93 H VAL 93 -9.295 17.576 0.268 699 HA VAL 93 HA VAL 93 -11.898 18.733 1.140 700 HB VAL 93 HB VAL 93 -10.604 20.660 2.188 701 HG11 VAL 93 1HG1 VAL 93 -10.222 19.523 4.328 702 HG12 VAL 93 2HG1 VAL 93 -10.271 17.944 3.514 703 HG13 VAL 93 3HG1 VAL 93 -11.726 18.968 3.563 704 HG21 VAL 93 1HG2 VAL 93 -8.277 18.687 2.235 705 HG22 VAL 93 2HG2 VAL 93 -8.314 20.322 2.924 706 HG23 VAL 93 3HG2 VAL 93 -8.371 20.104 1.163 707 H ALA 94 H ALA 94 -12.387 20.733 0.113 708 HA ALA 94 HA ALA 94 -10.589 21.866 -1.877 709 HB1 ALA 94 1HB ALA 94 -12.026 21.414 -3.826 710 HB2 ALA 94 2HB ALA 94 -13.154 20.471 -2.819 711 HB3 ALA 94 3HB ALA 94 -11.509 19.863 -3.129 712 H THR 95 H THR 95 -11.818 23.750 -2.885 713 HA THR 95 HA THR 95 -14.074 24.664 -1.160 714 HB THR 95 HB THR 95 -11.887 25.827 -0.546 715 HG1 THR 95 HG1 THR 95 -12.880 27.902 -0.683 716 HG21 THR 95 1HG2 THR 95 -10.960 25.886 -2.889 717 HG22 THR 95 2HG2 THR 95 -10.949 27.454 -2.063 718 HG23 THR 95 3HG2 THR 95 -12.185 27.111 -3.291 719 H GLU 96 H GLU 96 -15.196 26.562 -2.455 720 HA GLU 96 HA GLU 96 -16.001 25.396 -4.930 721 HB2 GLU 96 1HB GLU 96 -17.129 27.115 -3.203 722 HB3 GLU 96 2HB GLU 96 -16.511 28.292 -4.370 723 HG2 GLU 96 1HG GLU 96 -18.741 27.755 -5.003 724 HG3 GLU 96 2HG GLU 96 -17.658 26.966 -6.166 725 H GLY 97 H GLY 97 -15.352 25.720 -6.976 726 HA2 GLY 97 1HA GLY 97 -14.454 26.944 -8.776 727 HA3 GLY 97 2HA GLY 97 -13.710 28.080 -7.644 728 H ALA 98 H ALA 98 -12.904 25.239 -6.305 729 HA ALA 98 HA ALA 98 -10.228 25.306 -7.405 730 HB1 ALA 98 1HB ALA 98 -9.743 23.619 -5.809 731 HB2 ALA 98 2HB ALA 98 -11.469 23.216 -5.612 732 HB3 ALA 98 3HB ALA 98 -10.837 24.777 -5.031 733 H LEU 99 H LEU 99 -9.244 23.841 -8.839 734 HA LEU 99 HA LEU 99 -11.180 22.202 -10.390 735 HB2 LEU 99 1HB LEU 99 -8.412 23.261 -10.967 736 HB3 LEU 99 2HB LEU 99 -9.194 22.055 -11.977 737 HG LEU 99 HG LEU 99 -10.188 24.882 -11.516 738 HD11 LEU 99 1HD1 LEU 99 -9.541 25.119 -13.891 739 HD12 LEU 99 2HD1 LEU 99 -8.938 23.442 -13.885 740 HD13 LEU 99 3HD1 LEU 99 -8.154 24.681 -12.871 741 HD21 LEU 99 1HD2 LEU 99 -11.788 24.345 -13.364 742 HD22 LEU 99 2HD2 LEU 99 -12.117 23.444 -11.875 743 HD23 LEU 99 3HD2 LEU 99 -11.310 22.635 -13.244 744 H ASN 100 H ASN 100 -11.038 20.109 -10.724 745 HA ASN 100 HA ASN 100 -9.378 18.545 -8.885 746 HB2 ASN 100 1HB ASN 100 -11.554 17.838 -10.880 747 HB3 ASN 100 2HB ASN 100 -10.596 16.600 -10.057 748 HD21 ASN 100 1HD2 ASN 100 -12.781 16.561 -7.400 749 HD22 ASN 100 2HD2 ASN 100 -11.834 15.696 -8.586 750 H THR 101 H THR 101 -7.431 19.509 -10.038 751 HA THR 101 HA THR 101 -6.534 17.565 -12.129 752 HB THR 101 HB THR 101 -7.203 20.026 -12.942 753 HG1 THR 101 HG1 THR 101 -6.265 18.821 -14.433 754 HG21 THR 101 1HG2 THR 101 -5.377 21.606 -12.865 755 HG22 THR 101 2HG2 THR 101 -4.378 20.465 -11.925 756 HG23 THR 101 3HG2 THR 101 -5.865 21.171 -11.214 757 HA PRO 102 HA PRO 102 -3.278 17.030 -9.240 758 HB2 PRO 102 1HB PRO 102 -1.005 17.027 -10.834 759 HB3 PRO 102 2HB PRO 102 -2.112 15.623 -10.658 760 HG2 PRO 102 1HG PRO 102 -2.024 17.746 -12.791 761 HG3 PRO 102 2HG PRO 102 -2.159 15.967 -12.969 762 HD2 PRO 102 1HD PRO 102 -4.297 17.483 -13.163 763 HD3 PRO 102 2HD PRO 102 -4.370 15.941 -12.251 764 H LYS 103 H LYS 103 -1.827 18.107 -7.968 765 HA LYS 103 HA LYS 103 -1.057 20.861 -8.854 766 HB2 LYS 103 1HB LYS 103 -1.755 19.900 -6.070 767 HB3 LYS 103 2HB LYS 103 -1.308 21.533 -6.534 768 HG2 LYS 103 1HG LYS 103 -3.780 20.055 -7.319 769 HG3 LYS 103 2HG LYS 103 -3.703 21.381 -6.178 770 HD2 LYS 103 1HD LYS 103 -3.018 22.897 -7.989 771 HD3 LYS 103 2HD LYS 103 -3.057 21.582 -9.154 772 HE2 LYS 103 1HE LYS 103 -5.459 21.287 -8.792 773 HE3 LYS 103 2HE LYS 103 -5.432 22.596 -7.596 774 HZ1 LYS 103 1HZ LYS 103 -6.120 23.538 -9.646 775 HZ2 LYS 103 2HZ LYS 103 -4.886 22.847 -10.494 776 HZ3 LYS 103 3HZ LYS 103 -4.573 24.056 -9.418 777 H ASP 104 H ASP 104 0.462 18.524 -9.303 778 HA ASP 104 HA ASP 104 2.498 18.109 -7.351 779 HB2 ASP 104 1HB ASP 104 3.819 17.244 -9.216 780 HB3 ASP 104 2HB ASP 104 2.151 16.664 -9.349 781 H HIS 105 H HIS 105 1.919 20.556 -9.829 782 HA HIS 105 HA HIS 105 4.453 21.836 -9.721 783 HB2 HIS 105 1HB HIS 105 3.504 23.546 -10.987 784 HB3 HIS 105 2HB HIS 105 2.516 22.146 -11.415 785 HD1 HIS 105 HD1 HIS 105 2.420 25.469 -9.570 786 HD2 HIS 105 HD2 HIS 105 -0.215 22.369 -10.607 787 HE1 HIS 105 HE1 HIS 105 0.045 26.330 -9.154 788 H ILE 106 H ILE 106 1.975 21.752 -7.334 789 HA ILE 106 HA ILE 106 2.952 24.258 -6.085 790 HB ILE 106 HB ILE 106 0.686 22.375 -5.171 791 HG12 ILE 106 1HG1 ILE 106 0.574 25.045 -6.613 792 HG13 ILE 106 2HG1 ILE 106 0.216 23.462 -7.312 793 HG21 ILE 106 1HG2 ILE 106 1.727 23.716 -3.315 794 HG22 ILE 106 2HG2 ILE 106 0.128 24.347 -3.683 795 HG23 ILE 106 3HG2 ILE 106 1.564 25.205 -4.268 796 HD11 ILE 106 1HD1 ILE 106 -1.855 24.235 -6.801 797 HD12 ILE 106 2HD1 ILE 106 -1.332 25.025 -5.303 798 HD13 ILE 106 3HD1 ILE 106 -1.495 23.255 -5.381 799 H GLY 107 H GLY 107 2.562 20.763 -5.366 800 HA2 GLY 107 1HA GLY 107 3.709 21.017 -2.748 801 HA3 GLY 107 2HA GLY 107 3.383 19.521 -3.602 802 H THR 108 H THR 108 5.496 21.658 -5.268 803 HA THR 108 HA THR 108 7.721 19.798 -4.867 804 HB THR 108 HB THR 108 7.166 20.657 -7.117 805 HG1 THR 108 HG1 THR 108 9.653 21.462 -6.004 806 HG21 THR 108 1HG2 THR 108 6.328 22.890 -6.579 807 HG22 THR 108 2HG2 THR 108 7.698 23.021 -7.696 808 HG23 THR 108 3HG2 THR 108 7.927 23.379 -5.973 809 H ARG 109 H ARG 109 6.814 21.555 -2.572 810 HA ARG 109 HA ARG 109 8.846 23.568 -2.194 811 HB2 ARG 109 1HB ARG 109 6.656 23.461 -0.921 812 HB3 ARG 109 2HB ARG 109 7.309 22.081 -0.027 813 HG2 ARG 109 1HG ARG 109 9.230 23.572 0.709 814 HG3 ARG 109 2HG ARG 109 8.398 24.923 -0.066 815 HD2 ARG 109 1HD ARG 109 7.858 25.033 2.252 816 HD3 ARG 109 2HD ARG 109 6.424 24.449 1.417 817 HE ARG 109 HE ARG 109 6.623 22.383 2.471 818 HH11 ARG 109 1HH1 ARG 109 9.491 24.316 3.266 819 HH12 ARG 109 2HH1 ARG 109 9.946 23.237 4.548 820 HH21 ARG 109 1HH2 ARG 109 7.263 21.111 4.118 821 HH22 ARG 109 2HH2 ARG 109 8.734 21.444 5.010 822 H ASN 110 H ASN 110 10.945 23.239 -1.886 823 HA ASN 110 HA ASN 110 11.925 20.610 -0.958 824 HB2 ASN 110 1HB ASN 110 13.113 23.079 -2.160 825 HB3 ASN 110 2HB ASN 110 14.124 22.203 -1.003 826 HD21 ASN 110 1HD2 ASN 110 14.490 19.311 -3.046 827 HD22 ASN 110 2HD2 ASN 110 14.358 19.828 -1.381 828 HA PRO 111 HA PRO 111 11.519 22.493 3.033 829 HB2 PRO 111 1HB PRO 111 12.441 20.524 4.655 830 HB3 PRO 111 2HB PRO 111 10.863 20.402 3.811 831 HG2 PRO 111 1HG PRO 111 13.528 19.250 2.999 832 HG3 PRO 111 2HG PRO 111 11.934 18.436 3.109 833 HD2 PRO 111 1HD PRO 111 12.907 19.369 0.762 834 HD3 PRO 111 2HD PRO 111 11.156 19.437 1.147 835 H ALA 112 H ALA 112 14.528 21.430 1.673 836 HA ALA 112 HA ALA 112 16.187 22.515 3.819 837 HB1 ALA 112 1HB ALA 112 16.932 20.602 2.418 838 HB2 ALA 112 2HB ALA 112 18.039 21.991 2.288 839 HB3 ALA 112 3HB ALA 112 16.884 21.656 0.978 840 H ASN 113 H ASN 113 14.623 23.651 0.938 841 HA ASN 113 HA ASN 113 16.418 26.005 0.753 842 HB2 ASN 113 1HB ASN 113 14.246 24.972 -1.106 843 HB3 ASN 113 2HB ASN 113 15.239 26.401 -1.394 844 HD21 ASN 113 1HD2 ASN 113 16.637 23.377 -3.137 845 HD22 ASN 113 2HD2 ASN 113 15.039 24.073 -3.056 846 H ASN 114 H ASN 114 13.169 25.142 1.754 847 HA ASN 114 HA ASN 114 12.687 28.008 2.354 848 HB2 ASN 114 1HB ASN 114 11.636 27.822 0.219 849 HB3 ASN 114 2HB ASN 114 10.899 26.259 0.633 850 HD21 ASN 114 1HD2 ASN 114 8.123 27.644 2.148 851 HD22 ASN 114 2HD2 ASN 114 8.921 26.286 1.395 852 H ALA 115 H ALA 115 11.217 28.405 4.004 853 HA ALA 115 HA ALA 115 10.866 26.156 5.863 854 HB1 ALA 115 1HB ALA 115 10.227 29.124 6.143 855 HB2 ALA 115 2HB ALA 115 11.734 28.327 6.663 856 HB3 ALA 115 3HB ALA 115 10.193 27.921 7.454 857 H ALA 116 H ALA 116 8.925 25.492 6.754 858 HA ALA 116 HA ALA 116 6.608 25.555 5.033 859 HB1 ALA 116 1HB ALA 116 7.232 23.552 6.384 860 HB2 ALA 116 2HB ALA 116 5.586 24.113 6.746 861 HB3 ALA 116 3HB ALA 116 6.913 24.474 7.875 862 H ILE 117 H ILE 117 4.547 26.352 5.520 863 HA ILE 117 HA ILE 117 4.568 28.916 6.988 864 HB ILE 117 HB ILE 117 2.430 27.571 5.305 865 HG12 ILE 117 1HG1 ILE 117 3.959 29.964 4.360 866 HG13 ILE 117 2HG1 ILE 117 4.750 28.397 4.273 867 HG21 ILE 117 1HG2 ILE 117 1.459 29.883 5.132 868 HG22 ILE 117 2HG2 ILE 117 2.669 30.448 6.307 869 HG23 ILE 117 3HG2 ILE 117 1.431 29.261 6.787 870 HD11 ILE 117 1HD1 ILE 117 3.633 28.886 2.188 871 HD12 ILE 117 2HD1 ILE 117 2.085 29.075 3.041 872 HD13 ILE 117 3HD1 ILE 117 2.883 27.480 2.987 873 H VAL 118 H VAL 118 3.361 29.259 8.930 874 HA VAL 118 HA VAL 118 2.389 27.009 10.460 875 HB VAL 118 HB VAL 118 1.763 30.003 10.669 876 HG11 VAL 118 1HG1 VAL 118 1.052 29.475 12.993 877 HG12 VAL 118 2HG1 VAL 118 1.210 27.744 12.630 878 HG13 VAL 118 3HG1 VAL 118 0.002 28.729 11.775 879 HG21 VAL 118 1HG2 VAL 118 3.389 29.923 12.572 880 HG22 VAL 118 2HG2 VAL 118 4.144 29.533 11.013 881 HG23 VAL 118 3HG2 VAL 118 3.751 28.231 12.160 882 H LEU 119 H LEU 119 0.597 25.864 10.124 883 HA LEU 119 HA LEU 119 -1.174 26.502 7.971 884 HB2 LEU 119 1HB LEU 119 -0.503 24.242 8.964 885 HB3 LEU 119 2HB LEU 119 -1.716 24.525 10.202 886 HG LEU 119 HG LEU 119 -2.485 24.679 7.281 887 HD11 LEU 119 1HD1 LEU 119 -2.210 22.115 8.889 888 HD12 LEU 119 2HD1 LEU 119 -1.175 22.607 7.542 889 HD13 LEU 119 3HD1 LEU 119 -2.889 22.276 7.250 890 HD21 LEU 119 1HD2 LEU 119 -4.256 25.283 8.780 891 HD22 LEU 119 2HD2 LEU 119 -3.901 23.928 9.862 892 HD23 LEU 119 3HD2 LEU 119 -4.605 23.627 8.263 893 H GLN 120 H GLN 120 -3.013 27.609 7.882 894 HA GLN 120 HA GLN 120 -4.466 28.333 10.388 895 HB2 GLN 120 1HB GLN 120 -3.607 30.173 8.138 896 HB3 GLN 120 2HB GLN 120 -4.791 30.607 9.377 897 HG2 GLN 120 1HG GLN 120 -3.196 30.725 11.055 898 HG3 GLN 120 2HG GLN 120 -2.061 29.703 10.177 899 HE21 GLN 120 1HE2 GLN 120 -0.532 32.304 8.432 900 HE22 GLN 120 2HE2 GLN 120 -0.675 30.573 8.677 901 H LEU 121 H LEU 121 -6.714 28.873 9.902 902 HA LEU 121 HA LEU 121 -7.621 27.688 7.306 903 HB2 LEU 121 1HB LEU 121 -8.770 27.725 10.087 904 HB3 LEU 121 2HB LEU 121 -9.871 27.715 8.723 905 HG LEU 121 HG LEU 121 -7.790 25.582 9.256 906 HD11 LEU 121 1HD1 LEU 121 -9.492 25.601 10.979 907 HD12 LEU 121 2HD1 LEU 121 -9.839 24.251 9.880 908 HD13 LEU 121 3HD1 LEU 121 -10.784 25.751 9.775 909 HD21 LEU 121 1HD2 LEU 121 -10.098 25.739 7.244 910 HD22 LEU 121 2HD2 LEU 121 -9.155 24.269 7.593 911 HD23 LEU 121 3HD2 LEU 121 -8.362 25.675 6.866 912 HA PRO 122 HA PRO 122 -9.132 31.706 6.437 913 HB2 PRO 122 1HB PRO 122 -11.087 31.227 4.611 914 HB3 PRO 122 2HB PRO 122 -9.342 30.942 4.240 915 HG2 PRO 122 1HG PRO 122 -11.443 28.982 5.138 916 HG3 PRO 122 2HG PRO 122 -10.321 28.871 3.744 917 HD2 PRO 122 1HD PRO 122 -9.796 27.670 6.098 918 HD3 PRO 122 2HD PRO 122 -8.488 28.402 5.109 919 H GLN 123 H GLN 123 -11.015 33.100 6.617 920 HA GLN 123 HA GLN 123 -12.517 32.684 8.957 921 HB2 GLN 123 1HB GLN 123 -12.075 34.870 7.793 922 HB3 GLN 123 2HB GLN 123 -13.255 34.411 6.559 923 HG2 GLN 123 1HG GLN 123 -15.030 34.346 8.271 924 HG3 GLN 123 2HG GLN 123 -13.849 34.784 9.516 925 HE21 GLN 123 1HE2 GLN 123 -15.743 37.789 8.201 926 HE22 GLN 123 2HE2 GLN 123 -16.269 36.207 8.722 927 H GLY 124 H GLY 124 -14.370 31.641 9.400 928 HA2 GLY 124 1HA GLY 124 -16.579 30.885 8.773 929 HA3 GLY 124 2HA GLY 124 -16.004 30.633 7.119 930 H THR 125 H THR 125 -13.412 29.366 8.172 931 HA THR 125 HA THR 125 -14.697 26.756 8.841 932 HB THR 125 HB THR 125 -11.867 27.149 7.823 933 HG1 THR 125 HG1 THR 125 -13.375 27.951 6.298 934 HG21 THR 125 1HG2 THR 125 -12.092 24.801 7.189 935 HG22 THR 125 2HG2 THR 125 -13.785 24.778 7.704 936 HG23 THR 125 3HG2 THR 125 -12.502 24.948 8.902 937 H THR 126 H THR 126 -14.402 25.826 10.718 938 HA THR 126 HA THR 126 -12.269 26.875 12.520 939 HB THR 126 HB THR 126 -13.850 25.839 14.311 940 HG1 THR 126 HG1 THR 126 -16.021 25.769 13.630 941 HG21 THR 126 1HG2 THR 126 -15.157 27.895 14.458 942 HG22 THR 126 2HG2 THR 126 -14.763 28.294 12.770 943 HG23 THR 126 3HG2 THR 126 -13.477 28.263 14.004 944 H LEU 127 H LEU 127 -11.102 25.384 13.707 945 HA LEU 127 HA LEU 127 -10.734 22.796 12.447 946 HB2 LEU 127 1HB LEU 127 -9.755 23.891 15.094 947 HB3 LEU 127 2HB LEU 127 -9.229 22.380 14.405 948 HG LEU 127 HG LEU 127 -8.749 25.057 13.075 949 HD11 LEU 127 1HD1 LEU 127 -7.603 24.935 15.266 950 HD12 LEU 127 2HD1 LEU 127 -6.454 24.894 13.910 951 HD13 LEU 127 3HD1 LEU 127 -6.855 23.397 14.782 952 HD21 LEU 127 1HD2 LEU 127 -7.103 23.792 11.758 953 HD22 LEU 127 2HD2 LEU 127 -8.712 23.077 11.577 954 HD23 LEU 127 3HD2 LEU 127 -7.517 22.302 12.638 955 HA PRO 128 HA PRO 128 -13.757 20.762 14.925 956 HB2 PRO 128 1HB PRO 128 -12.942 18.155 14.885 957 HB3 PRO 128 2HB PRO 128 -13.577 18.994 13.435 958 HG2 PRO 128 1HG PRO 128 -10.786 18.382 14.195 959 HG3 PRO 128 2HG PRO 128 -11.572 18.309 12.603 960 HD2 PRO 128 1HD PRO 128 -9.953 20.389 13.509 961 HD3 PRO 128 2HD PRO 128 -11.162 20.552 12.202 962 H LYS 129 H LYS 129 -13.890 19.180 16.925 963 HA LYS 129 HA LYS 129 -12.716 20.540 19.064 964 HB2 LYS 129 1HB LYS 129 -14.723 19.098 19.210 965 HB3 LYS 129 2HB LYS 129 -13.719 17.660 18.996 966 HG2 LYS 129 1HG LYS 129 -12.999 19.493 21.253 967 HG3 LYS 129 2HG LYS 129 -14.502 18.573 21.420 968 HD2 LYS 129 1HD LYS 129 -13.391 16.484 21.361 969 HD3 LYS 129 2HD LYS 129 -11.939 17.171 20.623 970 HE2 LYS 129 1HE LYS 129 -11.567 18.495 22.737 971 HE3 LYS 129 2HE LYS 129 -12.882 17.556 23.478 972 HZ1 LYS 129 1HZ LYS 129 -10.741 16.560 23.945 973 HZ2 LYS 129 2HZ LYS 129 -10.363 16.459 22.340 974 HZ3 LYS 129 3HZ LYS 129 -11.592 15.545 22.961 975 H GLY 130 H GLY 130 -10.831 20.589 20.016 976 HA2 GLY 130 1HA GLY 130 -9.008 19.648 21.118 977 HA3 GLY 130 2HA GLY 130 -9.262 18.139 20.250 978 H PHE 131 H PHE 131 -9.200 20.400 17.835 979 HA PHE 131 HA PHE 131 -6.429 19.738 17.285 980 HB2 PHE 131 1HB PHE 131 -8.841 20.439 15.753 981 HB3 PHE 131 2HB PHE 131 -7.361 21.197 15.174 982 HD1 PHE 131 HD1 PHE 131 -9.227 18.103 15.427 983 HD2 PHE 131 HD2 PHE 131 -5.403 19.815 14.535 984 HE1 PHE 131 HE1 PHE 131 -8.599 16.046 14.197 985 HE2 PHE 131 HE2 PHE 131 -4.743 17.730 13.333 986 HZ PHE 131 HZ PHE 131 -6.336 15.872 13.134 987 H TYR 132 H TYR 132 -4.924 21.047 16.947 988 HA TYR 132 HA TYR 132 -5.314 23.975 16.872 989 HB2 TYR 132 1HB TYR 132 -3.459 24.359 18.470 990 HB3 TYR 132 2HB TYR 132 -4.881 23.638 19.221 991 HD1 TYR 132 HD1 TYR 132 -4.856 21.201 19.907 992 HD2 TYR 132 HD2 TYR 132 -1.315 23.200 18.482 993 HE1 TYR 132 HE1 TYR 132 -3.442 19.443 20.946 994 HE2 TYR 132 HE2 TYR 132 0.093 21.429 19.531 995 HH TYR 132 HH TYR 132 -1.341 18.741 21.414 996 H ALA 133 H ALA 133 -3.201 25.012 16.124 997 HA ALA 133 HA ALA 133 -1.987 23.170 14.122 998 HB1 ALA 133 1HB ALA 133 -3.255 25.045 13.157 999 HB2 ALA 133 2HB ALA 133 -1.519 25.224 12.821 1000 HB3 ALA 133 3HB ALA 133 -2.285 26.198 14.091 1001 H GLU 134 H GLU 134 0.204 23.163 13.739 1002 HA GLU 134 HA GLU 134 1.827 23.701 16.109 1003 HB2 GLU 134 1HB GLU 134 2.219 21.730 14.760 1004 HB3 GLU 134 2HB GLU 134 2.388 22.702 13.307 1005 HG2 GLU 134 1HG GLU 134 4.483 23.620 14.084 1006 HG3 GLU 134 2HG GLU 134 4.298 22.782 15.640 1007 H GLY 135 H GLY 135 3.011 25.499 16.496 1008 HA2 GLY 135 1HA GLY 135 4.240 27.427 15.978 1009 HA3 GLY 135 2HA GLY 135 3.748 27.289 14.283 1010 H SER 136 H SER 136 0.959 26.890 16.035 1011 HA SER 136 HA SER 136 0.387 29.834 16.003 1012 HB2 SER 136 1HB SER 136 -0.822 28.507 14.262 1013 HB3 SER 136 2HB SER 136 -1.547 27.538 15.557 1014 HG SER 136 HG SER 136 -2.764 29.430 14.709 1015 H ARG 137 H ARG 137 -0.758 30.686 17.704 1016 HA ARG 137 HA ARG 137 -1.324 30.972 19.871 1017 HB2 ARG 137 1HB ARG 137 -3.156 29.429 18.766 1018 HB3 ARG 137 2HB ARG 137 -2.555 28.237 19.925 1019 HG2 ARG 137 1HG ARG 137 -4.318 29.277 21.049 1020 HG3 ARG 137 2HG ARG 137 -2.875 30.091 21.681 1021 HD2 ARG 137 1HD ARG 137 -3.238 31.936 20.044 1022 HD3 ARG 137 2HD ARG 137 -4.744 31.145 19.532 1023 HE ARG 137 HE ARG 137 -4.848 31.436 22.336 1024 HH11 ARG 137 1HH1 ARG 137 -4.785 33.578 19.531 1025 HH12 ARG 137 2HH1 ARG 137 -5.657 34.839 20.358 1026 HH21 ARG 137 1HH2 ARG 137 -5.957 33.088 23.326 1027 HH22 ARG 137 2HH2 ARG 137 -6.310 34.564 22.468 1028 H GLY 138 H GLY 138 1.301 29.932 19.536 1029 HA2 GLY 138 1HA GLY 138 1.744 29.078 22.295 1030 HA3 GLY 138 2HA GLY 138 2.265 27.907 21.040 1031 H GLY 139 H GLY 139 4.252 29.177 22.590 1032 HA2 GLY 139 1HA GLY 139 6.287 30.231 22.083 1033 HA3 GLY 139 2HA GLY 139 5.619 30.738 20.514 1034 H SER 140 H SER 140 6.482 32.896 20.926 1035 HA SER 140 HA SER 140 4.555 34.610 22.308 1036 HB2 SER 140 1HB SER 140 6.121 34.082 24.165 1037 HB3 SER 140 2HB SER 140 7.495 34.526 23.123 1038 HG SER 140 HG SER 140 6.138 36.586 22.893 Start of MODEL 39 1 H1 GLY 1 1H GLY 1 3.558 -2.283 2.290 2 H2 GLY 1 2H GLY 1 4.653 -1.112 2.681 3 H3 GLY 1 3H GLY 1 4.898 -2.057 1.354 4 HA2 GLY 1 1HA GLY 1 2.971 -1.147 0.267 5 HA3 GLY 1 2HA GLY 1 2.697 -0.136 1.700 6 H ALA 2 H ALA 2 2.933 1.180 -0.693 7 HA ALA 2 HA ALA 2 5.660 1.869 -1.313 8 HB1 ALA 2 1HB ALA 2 3.652 2.076 -2.865 9 HB2 ALA 2 2HB ALA 2 4.666 3.525 -2.768 10 HB3 ALA 2 3HB ALA 2 3.126 3.473 -1.887 11 H MET 3 H MET 3 6.875 3.608 -0.643 12 HA MET 3 HA MET 3 5.896 5.752 1.034 13 HB2 MET 3 1HB MET 3 7.219 5.157 3.059 14 HB3 MET 3 2HB MET 3 5.887 4.044 2.763 15 HG2 MET 3 1HG MET 3 7.487 2.413 1.760 16 HG3 MET 3 2HG MET 3 8.816 3.521 2.146 17 HE1 MET 3 1HE MET 3 6.387 0.805 3.392 18 HE2 MET 3 2HE MET 3 5.550 2.206 4.103 19 HE3 MET 3 3HE MET 3 6.353 1.019 5.159 20 H GLY 4 H GLY 4 7.296 5.400 -1.432 21 HA2 GLY 4 1HA GLY 4 10.122 6.103 -0.806 22 HA3 GLY 4 2HA GLY 4 9.523 5.411 -2.324 23 H LEU 5 H LEU 5 9.398 8.255 -0.250 24 HA LEU 5 HA LEU 5 8.218 10.053 -2.122 25 HB2 LEU 5 1HB LEU 5 10.346 10.633 -0.023 26 HB3 LEU 5 2HB LEU 5 9.376 11.848 -0.849 27 HG LEU 5 HG LEU 5 8.330 9.745 1.080 28 HD11 LEU 5 1HD1 LEU 5 7.975 11.664 2.579 29 HD12 LEU 5 2HD1 LEU 5 8.679 12.760 1.364 30 HD13 LEU 5 3HD1 LEU 5 9.687 11.513 2.136 31 HD21 LEU 5 1HD2 LEU 5 6.212 11.076 0.995 32 HD22 LEU 5 2HD2 LEU 5 6.583 10.262 -0.536 33 HD23 LEU 5 3HD2 LEU 5 6.883 12.009 -0.360 34 HA PRO 6 HA PRO 6 11.366 9.882 -5.087 35 HB2 PRO 6 1HB PRO 6 10.959 12.086 -6.631 36 HB3 PRO 6 2HB PRO 6 9.763 10.752 -6.538 37 HG2 PRO 6 1HG PRO 6 9.808 13.346 -4.999 38 HG3 PRO 6 2HG PRO 6 8.477 12.643 -5.970 39 HD2 PRO 6 1HD PRO 6 8.589 12.311 -3.287 40 HD3 PRO 6 2HD PRO 6 8.030 10.983 -4.360 41 H ASN 7 H ASN 7 11.341 12.746 -3.072 42 HA ASN 7 HA ASN 7 14.227 12.913 -3.062 43 HB2 ASN 7 1HB ASN 7 13.897 14.006 -5.232 44 HB3 ASN 7 2HB ASN 7 12.667 15.075 -4.551 45 HD21 ASN 7 1HD2 ASN 7 16.627 15.826 -3.986 46 HD22 ASN 7 2HD2 ASN 7 16.084 14.289 -4.618 47 H ASN 8 H ASN 8 11.315 14.966 -2.747 48 HA ASN 8 HA ASN 8 11.962 15.419 0.109 49 HB2 ASN 8 1HB ASN 8 13.112 17.249 -0.913 50 HB3 ASN 8 2HB ASN 8 11.789 17.551 -2.043 51 HD21 ASN 8 1HD2 ASN 8 10.527 20.020 -0.019 52 HD22 ASN 8 2HD2 ASN 8 11.074 19.491 -1.593 53 H THR 9 H THR 9 9.743 16.857 -2.335 54 HA THR 9 HA THR 9 7.522 17.387 -2.163 55 HB THR 9 HB THR 9 6.071 15.351 -1.680 56 HG1 THR 9 HG1 THR 9 8.004 14.303 -0.628 57 HG21 THR 9 1HG2 THR 9 6.595 14.373 -3.892 58 HG22 THR 9 2HG2 THR 9 8.129 15.266 -3.918 59 HG23 THR 9 3HG2 THR 9 6.581 16.146 -3.953 60 H ALA 10 H ALA 10 7.767 18.817 -0.394 61 HA ALA 10 HA ALA 10 7.043 17.730 2.259 62 HB1 ALA 10 1HB ALA 10 9.202 18.987 1.975 63 HB2 ALA 10 2HB ALA 10 8.109 19.684 3.186 64 HB3 ALA 10 3HB ALA 10 8.249 20.437 1.582 65 H SER 11 H SER 11 5.454 18.464 3.466 66 HA SER 11 HA SER 11 3.117 19.671 2.389 67 HB2 SER 11 1HB SER 11 3.061 18.382 4.465 68 HB3 SER 11 2HB SER 11 4.193 19.505 5.237 69 HG SER 11 HG SER 11 2.590 20.757 5.734 70 H TRP 12 H TRP 12 2.530 21.760 2.108 71 HA TRP 12 HA TRP 12 4.497 23.851 2.285 72 HB2 TRP 12 1HB TRP 12 1.799 23.581 1.272 73 HB3 TRP 12 2HB TRP 12 2.038 25.119 2.113 74 HD1 TRP 12 HD1 TRP 12 2.847 23.411 -1.111 75 HE1 TRP 12 HE1 TRP 12 4.299 24.831 -2.614 76 HE3 TRP 12 HE3 TRP 12 4.154 26.932 2.343 77 HZ2 TRP 12 HZ2 TRP 12 5.826 27.232 -2.376 78 HZ3 TRP 12 HZ3 TRP 12 5.660 28.805 1.636 79 HH2 TRP 12 HH2 TRP 12 6.473 28.949 -0.716 80 H PHE 13 H PHE 13 2.170 22.619 4.526 81 HA PHE 13 HA PHE 13 2.495 25.065 6.218 82 HB2 PHE 13 1HB PHE 13 0.169 23.106 6.056 83 HB3 PHE 13 2HB PHE 13 0.264 24.525 7.101 84 HD1 PHE 13 HD1 PHE 13 -0.214 23.353 3.638 85 HD2 PHE 13 HD2 PHE 13 -0.073 26.756 6.250 86 HE1 PHE 13 HE1 PHE 13 -1.234 24.754 1.855 87 HE2 PHE 13 HE2 PHE 13 -1.059 28.173 4.469 88 HZ PHE 13 HZ PHE 13 -1.654 27.170 2.270 89 H THR 14 H THR 14 2.274 24.697 8.509 90 HA THR 14 HA THR 14 3.909 22.500 9.382 91 HB THR 14 HB THR 14 3.332 23.239 11.662 92 HG1 THR 14 HG1 THR 14 1.905 24.913 11.962 93 HG21 THR 14 1HG2 THR 14 4.285 25.505 11.539 94 HG22 THR 14 2HG2 THR 14 3.987 25.551 9.791 95 HG23 THR 14 3HG2 THR 14 5.154 24.391 10.462 96 H ALA 15 H ALA 15 3.264 21.005 11.066 97 HA ALA 15 HA ALA 15 0.873 19.607 10.093 98 HB1 ALA 15 1HB ALA 15 1.853 17.701 11.143 99 HB2 ALA 15 2HB ALA 15 3.056 18.733 11.972 100 HB3 ALA 15 3HB ALA 15 3.088 18.558 10.208 101 H LEU 16 H LEU 16 -0.984 19.659 11.108 102 HA LEU 16 HA LEU 16 -1.361 20.907 13.694 103 HB2 LEU 16 1HB LEU 16 -3.084 19.129 11.946 104 HB3 LEU 16 2HB LEU 16 -3.627 19.748 13.484 105 HG LEU 16 HG LEU 16 -4.270 21.696 12.631 106 HD11 LEU 16 1HD1 LEU 16 -3.106 23.097 11.126 107 HD12 LEU 16 2HD1 LEU 16 -1.955 21.811 10.713 108 HD13 LEU 16 3HD1 LEU 16 -1.971 22.522 12.334 109 HD21 LEU 16 1HD2 LEU 16 -4.914 21.586 10.280 110 HD22 LEU 16 2HD2 LEU 16 -5.212 20.045 11.109 111 HD23 LEU 16 3HD2 LEU 16 -3.800 20.219 10.038 112 H THR 17 H THR 17 -1.878 19.935 15.667 113 HA THR 17 HA THR 17 -0.896 17.129 15.935 114 HB THR 17 HB THR 17 -1.590 19.318 17.933 115 HG1 THR 17 HG1 THR 17 0.434 19.547 17.067 116 HG21 THR 17 1HG2 THR 17 -0.602 17.635 19.607 117 HG22 THR 17 2HG2 THR 17 -0.969 16.387 18.396 118 HG23 THR 17 3HG2 THR 17 -2.275 17.376 19.082 119 H GLN 18 H GLN 18 -2.219 15.441 16.382 120 HA GLN 18 HA GLN 18 -5.152 16.017 16.613 121 HB2 GLN 18 1HB GLN 18 -4.466 14.635 14.671 122 HB3 GLN 18 2HB GLN 18 -3.609 13.528 15.729 123 HG2 GLN 18 1HG GLN 18 -6.569 13.974 16.168 124 HG3 GLN 18 2HG GLN 18 -6.037 12.970 14.817 125 HE21 GLN 18 1HE2 GLN 18 -6.719 10.926 17.902 126 HE22 GLN 18 2HE2 GLN 18 -7.625 12.167 17.060 127 H HIS 19 H HIS 19 -5.817 15.943 18.686 128 HA HIS 19 HA HIS 19 -4.910 13.580 20.255 129 HB2 HIS 19 1HB HIS 19 -3.580 15.521 21.020 130 HB3 HIS 19 2HB HIS 19 -5.070 16.432 21.283 131 HD1 HIS 19 HD1 HIS 19 -4.168 16.580 23.849 132 HD2 HIS 19 HD2 HIS 19 -5.316 12.810 22.513 133 HE1 HIS 19 HE1 HIS 19 -4.497 15.143 25.902 134 H GLY 20 H GLY 20 -6.865 12.523 20.001 135 HA2 GLY 20 1HA GLY 20 -9.047 13.248 21.620 136 HA3 GLY 20 2HA GLY 20 -9.379 13.875 19.991 137 H LYS 21 H LYS 21 -11.210 12.311 20.194 138 HA LYS 21 HA LYS 21 -10.445 9.453 19.818 139 HB2 LYS 21 1HB LYS 21 -13.075 10.957 20.048 140 HB3 LYS 21 2HB LYS 21 -12.964 9.218 19.704 141 HG2 LYS 21 1HG LYS 21 -11.610 8.974 21.836 142 HG3 LYS 21 2HG LYS 21 -12.078 10.637 22.236 143 HD2 LYS 21 1HD LYS 21 -14.458 9.983 22.156 144 HD3 LYS 21 2HD LYS 21 -13.987 8.332 21.688 145 HE2 LYS 21 1HE LYS 21 -12.682 8.145 23.821 146 HE3 LYS 21 2HE LYS 21 -13.309 9.731 24.308 147 HZ1 LYS 21 1HZ LYS 21 -14.613 7.924 25.248 148 HZ2 LYS 21 2HZ LYS 21 -14.956 7.324 23.751 149 HZ3 LYS 21 3HZ LYS 21 -15.549 8.795 24.206 150 H GLU 22 H GLU 22 -11.438 12.283 18.157 151 HA GLU 22 HA GLU 22 -12.139 10.867 15.666 152 HB2 GLU 22 1HB GLU 22 -12.380 13.325 14.908 153 HB3 GLU 22 2HB GLU 22 -13.541 12.713 16.086 154 HG2 GLU 22 1HG GLU 22 -11.109 13.928 17.243 155 HG3 GLU 22 2HG GLU 22 -12.152 15.042 16.350 156 H ASP 23 H ASP 23 -10.999 11.256 13.743 157 HA ASP 23 HA ASP 23 -8.091 11.463 14.181 158 HB2 ASP 23 1HB ASP 23 -9.871 10.198 12.264 159 HB3 ASP 23 2HB ASP 23 -8.632 11.141 11.430 160 H LEU 24 H LEU 24 -10.316 12.783 11.724 161 HA LEU 24 HA LEU 24 -9.961 15.526 12.056 162 HB2 LEU 24 1HB LEU 24 -7.536 15.176 11.411 163 HB3 LEU 24 2HB LEU 24 -8.064 14.384 9.937 164 HG LEU 24 HG LEU 24 -9.000 16.492 9.113 165 HD11 LEU 24 1HD1 LEU 24 -9.733 17.688 11.018 166 HD12 LEU 24 2HD1 LEU 24 -8.376 18.624 10.391 167 HD13 LEU 24 3HD1 LEU 24 -8.146 17.581 11.809 168 HD21 LEU 24 1HD2 LEU 24 -6.900 17.710 8.818 169 HD22 LEU 24 2HD2 LEU 24 -6.656 15.959 8.676 170 HD23 LEU 24 3HD2 LEU 24 -6.176 16.802 10.167 171 H LYS 25 H LYS 25 -11.378 16.503 10.653 172 HA LYS 25 HA LYS 25 -12.136 15.236 8.152 173 HB2 LYS 25 1HB LYS 25 -13.412 14.202 10.341 174 HB3 LYS 25 2HB LYS 25 -14.421 15.603 10.038 175 HG2 LYS 25 1HG LYS 25 -15.453 13.818 8.851 176 HG3 LYS 25 2HG LYS 25 -14.582 14.725 7.593 177 HD2 LYS 25 1HD LYS 25 -12.687 13.120 7.774 178 HD3 LYS 25 2HD LYS 25 -13.561 12.229 9.027 179 HE2 LYS 25 1HE LYS 25 -15.354 11.713 7.403 180 HE3 LYS 25 2HE LYS 25 -14.464 12.604 6.147 181 HZ1 LYS 25 1HZ LYS 25 -13.464 10.200 7.584 182 HZ2 LYS 25 2HZ LYS 25 -12.626 11.031 6.433 183 HZ3 LYS 25 3HZ LYS 25 -14.007 10.226 6.026 184 H PHE 26 H PHE 26 -13.111 16.813 6.846 185 HA PHE 26 HA PHE 26 -13.853 19.376 8.179 186 HB2 PHE 26 1HB PHE 26 -12.033 18.975 5.788 187 HB3 PHE 26 2HB PHE 26 -12.879 20.494 6.081 188 HD1 PHE 26 HD1 PHE 26 -9.705 19.324 6.266 189 HD2 PHE 26 HD2 PHE 26 -12.693 20.966 8.932 190 HE1 PHE 26 HE1 PHE 26 -7.933 20.070 7.830 191 HE2 PHE 26 HE2 PHE 26 -10.903 21.735 10.463 192 HZ PHE 26 HZ PHE 26 -8.515 21.285 9.915 193 HA PRO 27 HA PRO 27 -17.387 18.828 5.605 194 HB2 PRO 27 1HB PRO 27 -18.461 21.340 5.546 195 HB3 PRO 27 2HB PRO 27 -18.414 20.354 7.039 196 HG2 PRO 27 1HG PRO 27 -16.645 22.546 6.176 197 HG3 PRO 27 2HG PRO 27 -17.376 22.239 7.761 198 HD2 PRO 27 1HD PRO 27 -14.780 21.597 7.110 199 HD3 PRO 27 2HD PRO 27 -15.745 20.718 8.347 200 H ARG 28 H ARG 28 -18.466 19.563 3.564 201 HA ARG 28 HA ARG 28 -16.564 19.726 1.431 202 HB2 ARG 28 1HB ARG 28 -18.838 18.682 1.287 203 HB3 ARG 28 2HB ARG 28 -19.561 20.282 1.448 204 HG2 ARG 28 1HG ARG 28 -19.691 19.810 -0.846 205 HG3 ARG 28 2HG ARG 28 -18.320 20.915 -0.710 206 HD2 ARG 28 1HD ARG 28 -16.778 18.942 -0.750 207 HD3 ARG 28 2HD ARG 28 -18.192 17.888 -0.977 208 HE ARG 28 HE ARG 28 -18.141 19.997 -2.941 209 HH11 ARG 28 1HH1 ARG 28 -16.651 16.875 -2.229 210 HH12 ARG 28 2HH1 ARG 28 -16.266 16.577 -3.904 211 HH21 ARG 28 1HH2 ARG 28 -17.608 19.551 -5.048 212 HH22 ARG 28 2HH2 ARG 28 -16.799 18.067 -5.468 213 H GLY 29 H GLY 29 -15.765 21.425 0.268 214 HA2 GLY 29 1HA GLY 29 -15.709 23.579 -0.630 215 HA3 GLY 29 2HA GLY 29 -17.085 24.041 0.384 216 H GLN 30 H GLN 30 -15.009 22.466 2.371 217 HA GLN 30 HA GLN 30 -13.507 24.910 3.176 218 HB2 GLN 30 1HB GLN 30 -15.446 23.212 4.731 219 HB3 GLN 30 2HB GLN 30 -14.203 24.148 5.546 220 HG2 GLN 30 1HG GLN 30 -15.106 26.203 4.692 221 HG3 GLN 30 2HG GLN 30 -16.326 25.314 3.752 222 HE21 GLN 30 1HE2 GLN 30 -16.672 25.510 7.838 223 HE22 GLN 30 2HE2 GLN 30 -15.085 25.657 7.081 224 H GLY 31 H GLY 31 -11.981 24.362 4.961 225 HA2 GLY 31 1HA GLY 31 -10.815 22.665 6.216 226 HA3 GLY 31 2HA GLY 31 -11.124 21.510 4.911 227 H VAL 32 H VAL 32 -10.476 23.580 2.864 228 HA VAL 32 HA VAL 32 -7.654 23.061 2.658 229 HB VAL 32 HB VAL 32 -9.400 25.202 1.296 230 HG11 VAL 32 1HG1 VAL 32 -7.571 25.227 -0.413 231 HG12 VAL 32 2HG1 VAL 32 -6.583 24.249 0.679 232 HG13 VAL 32 3HG1 VAL 32 -7.102 25.886 1.148 233 HG21 VAL 32 1HG2 VAL 32 -9.419 23.692 -0.640 234 HG22 VAL 32 2HG2 VAL 32 -10.135 22.902 0.779 235 HG23 VAL 32 3HG2 VAL 32 -8.479 22.489 0.268 236 HA PRO 33 HA PRO 33 -6.660 26.242 5.601 237 HB2 PRO 33 1HB PRO 33 -3.948 26.088 5.436 238 HB3 PRO 33 2HB PRO 33 -4.933 24.803 6.203 239 HG2 PRO 33 1HG PRO 33 -3.859 24.946 3.450 240 HG3 PRO 33 2HG PRO 33 -3.735 23.614 4.629 241 HD2 PRO 33 1HD PRO 33 -5.553 23.517 2.728 242 HD3 PRO 33 2HD PRO 33 -5.903 22.952 4.387 243 H ILE 34 H ILE 34 -5.483 28.324 5.566 244 HA ILE 34 HA ILE 34 -6.156 29.765 3.187 245 HB ILE 34 HB ILE 34 -4.383 30.562 5.534 246 HG12 ILE 34 1HG1 ILE 34 -7.285 31.188 4.889 247 HG13 ILE 34 2HG1 ILE 34 -6.738 30.004 6.073 248 HG21 ILE 34 1HG2 ILE 34 -4.658 32.877 4.780 249 HG22 ILE 34 2HG2 ILE 34 -5.682 32.348 3.423 250 HG23 ILE 34 3HG2 ILE 34 -3.953 31.935 3.467 251 HD11 ILE 34 1HD1 ILE 34 -7.333 31.947 7.273 252 HD12 ILE 34 2HD1 ILE 34 -6.410 32.992 6.180 253 HD13 ILE 34 3HD1 ILE 34 -5.563 31.873 7.272 254 H ASN 35 H ASN 35 -5.187 29.743 1.350 255 HA ASN 35 HA ASN 35 -2.330 28.872 1.258 256 HB2 ASN 35 1HB ASN 35 -4.665 27.657 0.306 257 HB3 ASN 35 2HB ASN 35 -3.894 28.294 -1.129 258 HD21 ASN 35 1HD2 ASN 35 -2.698 24.874 0.181 259 HD22 ASN 35 2HD2 ASN 35 -4.274 25.609 0.348 260 H THR 36 H THR 36 -1.809 31.124 1.412 261 HA THR 36 HA THR 36 -2.606 33.059 -0.534 262 HB THR 36 HB THR 36 -0.804 34.415 0.469 263 HG1 THR 36 HG1 THR 36 0.898 33.141 0.807 264 HG21 THR 36 1HG2 THR 36 -1.503 34.409 2.762 265 HG22 THR 36 2HG2 THR 36 -1.951 32.690 2.698 266 HG23 THR 36 3HG2 THR 36 -2.929 33.906 1.825 267 H ASN 37 H ASN 37 -0.261 30.556 -0.606 268 HA ASN 37 HA ASN 37 1.339 31.947 -2.690 269 HB2 ASN 37 1HB ASN 37 2.007 29.469 -1.075 270 HB3 ASN 37 2HB ASN 37 3.109 30.392 -2.108 271 HD21 ASN 37 1HD2 ASN 37 2.727 31.324 1.720 272 HD22 ASN 37 2HD2 ASN 37 2.239 29.822 0.982 273 H SER 38 H SER 38 -1.299 30.623 -3.196 274 HA SER 38 HA SER 38 -0.312 28.898 -5.394 275 HB2 SER 38 1HB SER 38 -1.838 27.080 -4.861 276 HB3 SER 38 2HB SER 38 -0.736 27.357 -3.500 277 HG SER 38 HG SER 38 -2.580 28.831 -2.793 278 H SER 39 H SER 39 -1.978 28.415 -6.981 279 HA SER 39 HA SER 39 -3.461 30.788 -7.659 280 HB2 SER 39 1HB SER 39 -3.827 28.066 -8.908 281 HB3 SER 39 2HB SER 39 -3.826 29.656 -9.699 282 HG SER 39 HG SER 39 -1.777 27.945 -9.186 283 HA PRO 40 HA PRO 40 -7.342 29.745 -5.927 284 HB2 PRO 40 1HB PRO 40 -9.273 30.268 -7.799 285 HB3 PRO 40 2HB PRO 40 -8.357 31.560 -6.956 286 HG2 PRO 40 1HG PRO 40 -7.832 30.345 -9.663 287 HG3 PRO 40 2HG PRO 40 -7.973 32.075 -9.213 288 HD2 PRO 40 1HD PRO 40 -5.565 30.895 -9.447 289 HD3 PRO 40 2HD PRO 40 -5.880 32.079 -8.130 290 H ASP 41 H ASP 41 -6.719 28.283 -9.144 291 HA ASP 41 HA ASP 41 -8.659 26.175 -8.727 292 HB2 ASP 41 1HB ASP 41 -7.918 25.250 -10.709 293 HB3 ASP 41 2HB ASP 41 -7.685 26.982 -10.972 294 H ASP 42 H ASP 42 -5.512 26.867 -7.590 295 HA ASP 42 HA ASP 42 -4.601 24.119 -7.314 296 HB2 ASP 42 1HB ASP 42 -3.491 26.839 -6.811 297 HB3 ASP 42 2HB ASP 42 -2.763 25.484 -5.982 298 H GLN 43 H GLN 43 -6.638 26.027 -5.460 299 HA GLN 43 HA GLN 43 -5.763 25.610 -2.811 300 HB2 GLN 43 1HB GLN 43 -8.597 25.690 -3.911 301 HB3 GLN 43 2HB GLN 43 -8.150 25.945 -2.229 302 HG2 GLN 43 1HG GLN 43 -7.361 27.697 -4.562 303 HG3 GLN 43 2HG GLN 43 -8.592 28.070 -3.360 304 HE21 GLN 43 1HE2 GLN 43 -4.858 29.183 -2.786 305 HE22 GLN 43 2HE2 GLN 43 -5.553 28.721 -4.314 306 H ILE 44 H ILE 44 -7.438 23.352 -4.950 307 HA ILE 44 HA ILE 44 -8.497 21.605 -3.013 308 HB ILE 44 HB ILE 44 -9.089 21.647 -5.394 309 HG12 ILE 44 1HG1 ILE 44 -8.137 18.862 -4.862 310 HG13 ILE 44 2HG1 ILE 44 -9.366 19.611 -3.837 311 HG21 ILE 44 1HG2 ILE 44 -6.334 20.482 -5.830 312 HG22 ILE 44 2HG2 ILE 44 -7.000 21.992 -6.484 313 HG23 ILE 44 3HG2 ILE 44 -7.618 20.431 -7.025 314 HD11 ILE 44 1HD1 ILE 44 -9.581 19.313 -6.862 315 HD12 ILE 44 2HD1 ILE 44 -10.805 20.028 -5.796 316 HD13 ILE 44 3HD1 ILE 44 -10.409 18.307 -5.665 317 H GLY 45 H GLY 45 -7.848 19.811 -1.923 318 HA2 GLY 45 1HA GLY 45 -5.364 18.482 -2.409 319 HA3 GLY 45 2HA GLY 45 -5.141 19.694 -1.142 320 H TYR 46 H TYR 46 -4.603 17.895 0.234 321 HA TYR 46 HA TYR 46 -7.003 16.940 1.618 322 HB2 TYR 46 1HB TYR 46 -6.511 14.601 1.423 323 HB3 TYR 46 2HB TYR 46 -6.563 15.256 -0.206 324 HD1 TYR 46 HD1 TYR 46 -4.495 13.867 2.461 325 HD2 TYR 46 HD2 TYR 46 -4.490 15.423 -1.549 326 HE1 TYR 46 HE1 TYR 46 -2.217 12.879 2.042 327 HE2 TYR 46 HE2 TYR 46 -2.217 14.462 -1.941 328 HH TYR 46 HH TYR 46 -0.508 12.583 0.567 329 H TYR 47 H TYR 47 -6.317 15.786 3.691 330 HA TYR 47 HA TYR 47 -3.612 16.797 4.525 331 HB2 TYR 47 1HB TYR 47 -6.037 16.136 6.179 332 HB3 TYR 47 2HB TYR 47 -4.449 16.408 6.848 333 HD1 TYR 47 HD1 TYR 47 -3.979 18.469 7.736 334 HD2 TYR 47 HD2 TYR 47 -6.852 18.260 4.530 335 HE1 TYR 47 HE1 TYR 47 -4.470 20.888 7.990 336 HE2 TYR 47 HE2 TYR 47 -7.312 20.667 4.804 337 HH TYR 47 HH TYR 47 -6.948 22.550 6.066 338 H ARG 48 H ARG 48 -2.183 15.398 5.463 339 HA ARG 48 HA ARG 48 -2.851 12.483 5.155 340 HB2 ARG 48 1HB ARG 48 -1.145 13.583 3.590 341 HB3 ARG 48 2HB ARG 48 -0.104 13.796 4.988 342 HG2 ARG 48 1HG ARG 48 0.073 11.386 5.297 343 HG3 ARG 48 2HG ARG 48 -1.156 11.107 4.053 344 HD2 ARG 48 1HD ARG 48 0.361 12.257 2.393 345 HD3 ARG 48 2HD ARG 48 1.622 12.262 3.640 346 HE ARG 48 HE ARG 48 0.624 9.605 3.338 347 HH11 ARG 48 1HH1 ARG 48 2.564 11.930 1.500 348 HH12 ARG 48 2HH1 ARG 48 3.421 10.671 0.649 349 HH21 ARG 48 1HH2 ARG 48 1.798 8.064 2.222 350 HH22 ARG 48 2HH2 ARG 48 2.997 8.535 1.046 351 H ARG 49 H ARG 49 -2.805 11.304 6.988 352 HA ARG 49 HA ARG 49 -1.858 12.457 9.496 353 HB2 ARG 49 1HB ARG 49 -3.756 10.825 9.231 354 HB3 ARG 49 2HB ARG 49 -2.568 9.571 8.875 355 HG2 ARG 49 1HG ARG 49 -1.639 9.714 11.088 356 HG3 ARG 49 2HG ARG 49 -2.557 11.191 11.444 357 HD2 ARG 49 1HD ARG 49 -3.596 9.272 12.534 358 HD3 ARG 49 2HD ARG 49 -4.666 9.932 11.291 359 HE ARG 49 HE ARG 49 -3.177 7.882 10.078 360 HH11 ARG 49 1HH1 ARG 49 -5.657 8.176 12.578 361 HH12 ARG 49 2HH1 ARG 49 -6.221 6.547 12.315 362 HH21 ARG 49 1HH2 ARG 49 -3.984 5.816 9.781 363 HH22 ARG 49 2HH2 ARG 49 -5.315 5.263 10.759 364 H ALA 50 H ALA 50 0.040 12.189 10.518 365 HA ALA 50 HA ALA 50 2.005 10.139 9.659 366 HB1 ALA 50 1HB ALA 50 2.394 12.072 8.113 367 HB2 ALA 50 2HB ALA 50 3.741 11.856 9.255 368 HB3 ALA 50 3HB ALA 50 2.536 13.133 9.534 369 H THR 51 H THR 51 3.965 10.349 11.293 370 HA THR 51 HA THR 51 3.206 12.014 13.621 371 HB THR 51 HB THR 51 2.407 9.800 14.242 372 HG1 THR 51 HG1 THR 51 3.522 9.733 16.197 373 HG21 THR 51 1HG2 THR 51 3.946 7.929 14.596 374 HG22 THR 51 2HG2 THR 51 5.293 8.887 13.945 375 HG23 THR 51 3HG2 THR 51 3.945 8.401 12.886 376 H ARG 52 H ARG 52 4.785 12.881 14.742 377 HA ARG 52 HA ARG 52 7.563 12.155 14.491 378 HB2 ARG 52 1HB ARG 52 7.137 13.337 12.266 379 HB3 ARG 52 2HB ARG 52 6.761 14.795 13.187 380 HG2 ARG 52 1HG ARG 52 9.034 14.977 12.435 381 HG3 ARG 52 2HG ARG 52 9.094 14.663 14.179 382 HD2 ARG 52 1HD ARG 52 9.508 12.250 13.717 383 HD3 ARG 52 2HD ARG 52 9.486 12.581 11.980 384 HE ARG 52 HE ARG 52 11.591 13.312 13.931 385 HH11 ARG 52 1HH1 ARG 52 10.512 13.453 10.564 386 HH12 ARG 52 2HH1 ARG 52 12.096 13.888 9.985 387 HH21 ARG 52 1HH2 ARG 52 13.575 13.871 13.108 388 HH22 ARG 52 2HH2 ARG 52 13.792 14.120 11.398 389 H ARG 53 H ARG 53 8.494 12.816 16.346 390 HA ARG 53 HA ARG 53 7.579 15.246 17.742 391 HB2 ARG 53 1HB ARG 53 7.482 12.477 18.974 392 HB3 ARG 53 2HB ARG 53 7.535 13.949 19.926 393 HG2 ARG 53 1HG ARG 53 5.376 13.013 18.200 394 HG3 ARG 53 2HG ARG 53 5.503 13.234 19.936 395 HD2 ARG 53 1HD ARG 53 5.277 15.558 19.843 396 HD3 ARG 53 2HD ARG 53 5.610 15.606 18.100 397 HE ARG 53 HE ARG 53 3.294 14.007 18.511 398 HH11 ARG 53 1HH1 ARG 53 4.162 17.437 18.816 399 HH12 ARG 53 2HH1 ARG 53 2.522 17.945 18.496 400 HH21 ARG 53 1HH2 ARG 53 1.288 14.763 18.088 401 HH22 ARG 53 2HH2 ARG 53 0.948 16.483 18.102 402 H ILE 54 H ILE 54 8.811 15.155 19.933 403 HA ILE 54 HA ILE 54 11.654 14.642 19.140 404 HB ILE 54 HB ILE 54 12.340 16.692 19.910 405 HG12 ILE 54 1HG1 ILE 54 11.485 16.422 22.192 406 HG13 ILE 54 2HG1 ILE 54 11.360 18.049 21.593 407 HG21 ILE 54 1HG2 ILE 54 10.912 18.445 19.107 408 HG22 ILE 54 2HG2 ILE 54 9.451 17.435 19.239 409 HG23 ILE 54 3HG2 ILE 54 10.736 17.032 18.054 410 HD11 ILE 54 1HD1 ILE 54 9.554 17.333 22.999 411 HD12 ILE 54 2HD1 ILE 54 9.111 16.132 21.773 412 HD13 ILE 54 3HD1 ILE 54 9.056 17.871 21.381 413 H ARG 55 H ARG 55 13.022 14.609 21.128 414 HA ARG 55 HA ARG 55 11.648 13.578 23.544 415 HB2 ARG 55 1HB ARG 55 12.130 11.577 22.182 416 HB3 ARG 55 2HB ARG 55 13.833 12.038 22.084 417 HG2 ARG 55 1HG ARG 55 14.246 11.509 24.306 418 HG3 ARG 55 2HG ARG 55 12.545 11.690 24.779 419 HD2 ARG 55 1HD ARG 55 13.144 9.597 22.761 420 HD3 ARG 55 2HD ARG 55 13.734 9.297 24.405 421 HE ARG 55 HE ARG 55 10.886 9.686 23.597 422 HH11 ARG 55 1HH1 ARG 55 13.190 8.644 26.075 423 HH12 ARG 55 2HH1 ARG 55 11.931 7.992 27.088 424 HH21 ARG 55 1HH2 ARG 55 9.353 8.838 24.949 425 HH22 ARG 55 2HH2 ARG 55 9.810 8.087 26.454 426 H GLY 56 H GLY 56 12.539 14.440 25.288 427 HA2 GLY 56 1HA GLY 56 14.903 16.148 24.981 428 HA3 GLY 56 2HA GLY 56 13.900 15.944 26.432 429 H GLY 57 H GLY 57 16.431 15.971 27.096 430 HA2 GLY 57 1HA GLY 57 17.918 13.581 26.611 431 HA3 GLY 57 2HA GLY 57 18.262 14.789 27.855 432 H ASP 58 H ASP 58 15.750 14.516 29.266 433 HA ASP 58 HA ASP 58 16.390 12.117 30.809 434 HB2 ASP 58 1HB ASP 58 15.545 13.366 32.446 435 HB3 ASP 58 2HB ASP 58 15.180 14.648 31.285 436 H GLY 59 H GLY 59 14.443 12.973 28.190 437 HA2 GLY 59 1HA GLY 59 13.507 11.126 26.901 438 HA3 GLY 59 2HA GLY 59 12.929 10.423 28.411 439 H LYS 60 H LYS 60 12.274 13.632 28.858 440 HA LYS 60 HA LYS 60 9.567 13.249 28.522 441 HB2 LYS 60 1HB LYS 60 9.171 15.472 29.136 442 HB3 LYS 60 2HB LYS 60 10.474 14.829 30.124 443 HG2 LYS 60 1HG LYS 60 11.176 16.398 27.665 444 HG3 LYS 60 2HG LYS 60 10.572 17.268 29.080 445 HD2 LYS 60 1HD LYS 60 12.774 15.266 29.187 446 HD3 LYS 60 2HD LYS 60 13.083 16.977 28.842 447 HE2 LYS 60 1HE LYS 60 11.828 15.833 31.391 448 HE3 LYS 60 2HE LYS 60 13.461 16.480 31.246 449 HZ1 LYS 60 1HZ LYS 60 10.969 18.049 30.958 450 HZ2 LYS 60 2HZ LYS 60 12.497 18.660 30.830 451 HZ3 LYS 60 3HZ LYS 60 11.968 18.051 32.270 452 H MET 61 H MET 61 8.086 14.205 27.240 453 HA MET 61 HA MET 61 9.058 14.880 24.494 454 HB2 MET 61 1HB MET 61 6.750 13.056 25.243 455 HB3 MET 61 2HB MET 61 7.138 13.597 23.607 456 HG2 MET 61 1HG MET 61 9.380 12.518 23.812 457 HG3 MET 61 2HG MET 61 8.908 11.901 25.402 458 HE1 MET 61 1HE MET 61 6.923 12.244 21.965 459 HE2 MET 61 2HE MET 61 7.074 10.577 21.352 460 HE3 MET 61 3HE MET 61 8.523 11.604 21.521 461 H LYS 62 H LYS 62 7.442 15.864 23.116 462 HA LYS 62 HA LYS 62 6.219 18.189 24.426 463 HB2 LYS 62 1HB LYS 62 7.149 18.834 22.440 464 HB3 LYS 62 2HB LYS 62 6.927 17.242 21.730 465 HG2 LYS 62 1HG LYS 62 5.726 18.613 20.392 466 HG3 LYS 62 2HG LYS 62 4.527 17.795 21.400 467 HD2 LYS 62 1HD LYS 62 3.698 19.928 21.485 468 HD3 LYS 62 2HD LYS 62 4.751 19.964 22.911 469 HE2 LYS 62 1HE LYS 62 6.530 21.061 21.597 470 HE3 LYS 62 2HE LYS 62 5.565 20.903 20.115 471 HZ1 LYS 62 1HZ LYS 62 5.369 23.127 21.035 472 HZ2 LYS 62 2HZ LYS 62 4.807 22.544 22.475 473 HZ3 LYS 62 3HZ LYS 62 3.904 22.376 21.104 474 H ASP 63 H ASP 63 5.256 15.245 22.859 475 HA ASP 63 HA ASP 63 2.681 14.975 24.057 476 HB2 ASP 63 1HB ASP 63 2.181 16.851 22.370 477 HB3 ASP 63 2HB ASP 63 2.787 15.782 21.106 478 H LEU 64 H LEU 64 1.874 12.860 22.920 479 HA LEU 64 HA LEU 64 4.140 11.355 21.759 480 HB2 LEU 64 1HB LEU 64 3.195 10.706 23.983 481 HB3 LEU 64 2HB LEU 64 1.608 10.550 23.264 482 HG LEU 64 HG LEU 64 2.977 8.450 23.829 483 HD11 LEU 64 1HD1 LEU 64 1.936 7.212 22.040 484 HD12 LEU 64 2HD1 LEU 64 1.794 8.677 21.044 485 HD13 LEU 64 3HD1 LEU 64 0.849 8.529 22.537 486 HD21 LEU 64 1HD2 LEU 64 4.542 7.704 22.179 487 HD22 LEU 64 2HD2 LEU 64 5.013 9.342 22.700 488 HD23 LEU 64 3HD2 LEU 64 4.195 9.108 21.141 489 H SER 65 H SER 65 0.821 12.482 21.505 490 HA SER 65 HA SER 65 -0.265 10.757 19.634 491 HB2 SER 65 1HB SER 65 -0.870 13.714 19.758 492 HB3 SER 65 2HB SER 65 -1.987 12.357 19.499 493 HG SER 65 HG SER 65 -0.988 13.422 21.839 494 HA PRO 66 HA PRO 66 1.365 11.763 15.679 495 HB2 PRO 66 1HB PRO 66 -0.657 11.140 13.981 496 HB3 PRO 66 2HB PRO 66 0.119 9.894 15.007 497 HG2 PRO 66 1HG PRO 66 -2.381 11.454 15.501 498 HG3 PRO 66 2HG PRO 66 -2.139 9.678 15.515 499 HD2 PRO 66 1HD PRO 66 -2.093 11.141 17.790 500 HD3 PRO 66 2HD PRO 66 -0.999 9.733 17.562 501 H ARG 67 H ARG 67 0.628 12.845 13.437 502 HA ARG 67 HA ARG 67 -0.677 15.461 14.041 503 HB2 ARG 67 1HB ARG 67 1.878 14.897 12.506 504 HB3 ARG 67 2HB ARG 67 1.098 16.469 12.644 505 HG2 ARG 67 1HG ARG 67 1.641 16.649 14.950 506 HG3 ARG 67 2HG ARG 67 2.191 14.951 15.023 507 HD2 ARG 67 1HD ARG 67 3.949 15.368 13.467 508 HD3 ARG 67 2HD ARG 67 3.331 16.972 13.120 509 HE ARG 67 HE ARG 67 4.990 16.143 15.373 510 HH11 ARG 67 1HH1 ARG 67 2.833 18.748 14.223 511 HH12 ARG 67 2HH1 ARG 67 3.627 19.924 15.249 512 HH21 ARG 67 1HH2 ARG 67 5.890 17.749 16.604 513 HH22 ARG 67 2HH2 ARG 67 5.264 19.394 16.542 514 H TRP 68 H TRP 68 -1.244 16.640 12.041 515 HA TRP 68 HA TRP 68 -1.565 14.846 9.659 516 HB2 TRP 68 1HB TRP 68 -3.519 16.817 10.863 517 HB3 TRP 68 2HB TRP 68 -3.620 16.285 9.179 518 HD1 TRP 68 HD1 TRP 68 -3.758 14.721 12.742 519 HE1 TRP 68 HE1 TRP 68 -5.204 12.623 12.711 520 HE3 TRP 68 HE3 TRP 68 -4.610 14.522 7.708 521 HZ2 TRP 68 HZ2 TRP 68 -6.543 11.055 10.749 522 HZ3 TRP 68 HZ3 TRP 68 -6.050 12.695 6.801 523 HH2 TRP 68 HH2 TRP 68 -7.016 10.981 8.333 524 H TYR 69 H TYR 69 -0.770 15.647 7.828 525 HA TYR 69 HA TYR 69 0.367 18.444 7.849 526 HB2 TYR 69 1HB TYR 69 1.118 15.873 6.379 527 HB3 TYR 69 2HB TYR 69 1.785 17.448 5.970 528 HD1 TYR 69 HD1 TYR 69 1.447 15.175 8.989 529 HD2 TYR 69 HD2 TYR 69 3.843 18.074 6.898 530 HE1 TYR 69 HE1 TYR 69 3.296 14.865 10.647 531 HE2 TYR 69 HE2 TYR 69 5.689 17.730 8.537 532 HH TYR 69 HH TYR 69 6.391 16.615 10.397 533 H PHE 70 H PHE 70 0.296 19.387 5.465 534 HA PHE 70 HA PHE 70 -2.264 18.504 4.197 535 HB2 PHE 70 1HB PHE 70 -2.532 20.708 5.225 536 HB3 PHE 70 2HB PHE 70 -1.097 21.299 4.375 537 HD1 PHE 70 HD1 PHE 70 -1.283 22.209 2.178 538 HD2 PHE 70 HD2 PHE 70 -4.509 19.883 3.792 539 HE1 PHE 70 HE1 PHE 70 -2.696 22.810 0.222 540 HE2 PHE 70 HE2 PHE 70 -5.928 20.480 1.838 541 HZ PHE 70 HZ PHE 70 -5.023 21.954 0.043 542 H TYR 71 H TYR 71 -2.280 18.110 2.102 543 HA TYR 71 HA TYR 71 0.157 18.743 0.507 544 HB2 TYR 71 1HB TYR 71 -1.031 16.102 1.249 545 HB3 TYR 71 2HB TYR 71 -0.374 16.290 -0.395 546 HD1 TYR 71 HD1 TYR 71 2.042 16.617 -0.746 547 HD2 TYR 71 HD2 TYR 71 0.441 16.169 3.224 548 HE1 TYR 71 HE1 TYR 71 4.339 16.283 0.148 549 HE2 TYR 71 HE2 TYR 71 2.754 15.825 4.107 550 HH TYR 71 HH TYR 71 5.628 15.829 1.972 551 H TYR 72 H TYR 72 -0.331 18.560 -1.813 552 HA TYR 72 HA TYR 72 -3.085 19.551 -2.271 553 HB2 TYR 72 1HB TYR 72 -0.592 19.795 -3.972 554 HB3 TYR 72 2HB TYR 72 -2.165 20.518 -4.320 555 HD1 TYR 72 HD1 TYR 72 -2.816 22.605 -3.337 556 HD2 TYR 72 HD2 TYR 72 0.665 20.544 -1.857 557 HE1 TYR 72 HE1 TYR 72 -2.191 24.606 -1.990 558 HE2 TYR 72 HE2 TYR 72 1.242 22.516 -0.480 559 HH TYR 72 HH TYR 72 -0.612 25.547 -0.542 560 H LEU 73 H LEU 73 -4.168 18.949 -4.300 561 HA LEU 73 HA LEU 73 -4.492 16.171 -4.489 562 HB2 LEU 73 1HB LEU 73 -5.763 18.345 -5.476 563 HB3 LEU 73 2HB LEU 73 -4.948 17.819 -6.935 564 HG LEU 73 HG LEU 73 -7.115 16.426 -5.371 565 HD11 LEU 73 1HD1 LEU 73 -8.278 16.543 -7.477 566 HD12 LEU 73 2HD1 LEU 73 -6.809 17.077 -8.317 567 HD13 LEU 73 3HD1 LEU 73 -7.597 18.139 -7.136 568 HD21 LEU 73 1HD2 LEU 73 -5.361 15.167 -7.507 569 HD22 LEU 73 2HD2 LEU 73 -6.942 14.536 -7.001 570 HD23 LEU 73 3HD2 LEU 73 -5.617 14.602 -5.837 571 H GLY 74 H GLY 74 -3.348 14.550 -5.432 572 HA2 GLY 74 1HA GLY 74 -1.959 13.483 -6.908 573 HA3 GLY 74 2HA GLY 74 -2.105 14.880 -7.978 574 H THR 75 H THR 75 -0.759 15.150 -4.675 575 HA THR 75 HA THR 75 1.849 15.851 -5.909 576 HB THR 75 HB THR 75 2.501 16.086 -3.392 577 HG1 THR 75 HG1 THR 75 -0.338 16.237 -3.118 578 HG21 THR 75 1HG2 THR 75 1.249 18.280 -3.177 579 HG22 THR 75 2HG2 THR 75 0.454 17.884 -4.720 580 HG23 THR 75 3HG2 THR 75 2.222 18.079 -4.639 581 H GLY 76 H GLY 76 3.714 14.575 -5.557 582 HA2 GLY 76 1HA GLY 76 4.878 12.693 -4.855 583 HA3 GLY 76 2HA GLY 76 3.446 12.074 -4.027 584 HA PRO 77 HA PRO 77 3.746 10.544 -8.601 585 HB2 PRO 77 1HB PRO 77 5.827 8.812 -8.825 586 HB3 PRO 77 2HB PRO 77 6.008 10.563 -8.979 587 HG2 PRO 77 1HG PRO 77 6.554 8.908 -6.579 588 HG3 PRO 77 2HG PRO 77 7.626 10.084 -7.401 589 HD2 PRO 77 1HD PRO 77 6.130 10.780 -5.256 590 HD3 PRO 77 2HD PRO 77 6.421 11.922 -6.614 591 H GLU 78 H GLU 78 4.486 8.873 -5.702 592 HA GLU 78 HA GLU 78 3.393 6.268 -6.630 593 HB2 GLU 78 1HB GLU 78 4.274 5.479 -4.440 594 HB3 GLU 78 2HB GLU 78 5.534 6.211 -5.440 595 HG2 GLU 78 1HG GLU 78 5.786 8.051 -4.054 596 HG3 GLU 78 2HG GLU 78 4.116 7.995 -3.481 597 H ALA 79 H ALA 79 2.158 9.070 -5.653 598 HA ALA 79 HA ALA 79 0.949 8.496 -3.225 599 HB1 ALA 79 1HB ALA 79 1.089 10.746 -4.041 600 HB2 ALA 79 2HB ALA 79 -0.620 10.357 -3.785 601 HB3 ALA 79 3HB ALA 79 0.055 10.368 -5.432 602 H GLY 80 H GLY 80 -0.182 8.020 -6.556 603 HA2 GLY 80 1HA GLY 80 -1.900 6.746 -7.427 604 HA3 GLY 80 2HA GLY 80 -1.712 5.730 -5.987 605 H LEU 81 H LEU 81 -2.718 9.173 -6.030 606 HA LEU 81 HA LEU 81 -5.328 8.284 -4.993 607 HB2 LEU 81 1HB LEU 81 -3.271 10.200 -3.965 608 HB3 LEU 81 2HB LEU 81 -4.952 10.541 -3.702 609 HG LEU 81 HG LEU 81 -3.469 8.122 -2.694 610 HD11 LEU 81 1HD1 LEU 81 -2.900 10.198 -1.539 611 HD12 LEU 81 2HD1 LEU 81 -3.912 9.193 -0.485 612 HD13 LEU 81 3HD1 LEU 81 -4.622 10.585 -1.324 613 HD21 LEU 81 1HD2 LEU 81 -5.552 7.623 -1.442 614 HD22 LEU 81 2HD2 LEU 81 -5.778 7.489 -3.197 615 HD23 LEU 81 3HD2 LEU 81 -6.381 8.911 -2.317 616 HA PRO 82 HA PRO 82 -6.758 11.467 -7.892 617 HB2 PRO 82 1HB PRO 82 -9.108 10.206 -8.444 618 HB3 PRO 82 2HB PRO 82 -7.580 9.724 -9.251 619 HG2 PRO 82 1HG PRO 82 -9.009 8.444 -6.950 620 HG3 PRO 82 2HG PRO 82 -8.179 7.686 -8.329 621 HD2 PRO 82 1HD PRO 82 -7.115 7.947 -5.845 622 HD3 PRO 82 2HD PRO 82 -6.162 7.742 -7.325 623 H TYR 83 H TYR 83 -8.703 12.869 -7.450 624 HA TYR 83 HA TYR 83 -8.948 13.347 -4.663 625 HB2 TYR 83 1HB TYR 83 -9.316 15.018 -6.475 626 HB3 TYR 83 2HB TYR 83 -10.836 14.216 -6.868 627 HD1 TYR 83 HD1 TYR 83 -12.796 14.454 -5.362 628 HD2 TYR 83 HD2 TYR 83 -9.030 16.282 -4.376 629 HE1 TYR 83 HE1 TYR 83 -13.904 15.809 -3.578 630 HE2 TYR 83 HE2 TYR 83 -10.142 17.628 -2.608 631 HH TYR 83 HH TYR 83 -13.610 17.327 -1.872 632 H GLY 84 H GLY 84 -10.246 12.567 -3.128 633 HA2 GLY 84 1HA GLY 84 -12.272 11.755 -2.263 634 HA3 GLY 84 2HA GLY 84 -12.797 11.292 -3.884 635 H ALA 85 H ALA 85 -9.760 10.021 -3.853 636 HA ALA 85 HA ALA 85 -10.770 7.374 -3.386 637 HB1 ALA 85 1HB ALA 85 -8.999 7.530 -4.894 638 HB2 ALA 85 2HB ALA 85 -8.279 6.782 -3.455 639 HB3 ALA 85 3HB ALA 85 -8.005 8.510 -3.795 640 H ASN 86 H ASN 86 -10.846 6.119 -1.656 641 HA ASN 86 HA ASN 86 -10.246 7.284 0.950 642 HB2 ASN 86 1HB ASN 86 -12.243 5.830 0.500 643 HB3 ASN 86 2HB ASN 86 -11.144 4.470 0.224 644 HD21 ASN 86 1HD2 ASN 86 -11.448 3.653 3.584 645 HD22 ASN 86 2HD2 ASN 86 -11.628 3.175 1.913 646 H LYS 87 H LYS 87 -8.503 6.939 2.198 647 HA LYS 87 HA LYS 87 -6.801 4.574 1.841 648 HB2 LYS 87 1HB LYS 87 -5.991 6.147 0.106 649 HB3 LYS 87 2HB LYS 87 -5.781 7.380 1.301 650 HG2 LYS 87 1HG LYS 87 -3.905 6.354 2.281 651 HG3 LYS 87 2HG LYS 87 -4.312 4.757 1.608 652 HD2 LYS 87 1HD LYS 87 -3.409 7.129 -0.052 653 HD3 LYS 87 2HD LYS 87 -2.319 5.875 0.548 654 HE2 LYS 87 1HE LYS 87 -3.647 4.151 -0.700 655 HE3 LYS 87 2HE LYS 87 -4.682 5.431 -1.349 656 HZ1 LYS 87 1HZ LYS 87 -3.007 4.849 -2.949 657 HZ2 LYS 87 2HZ LYS 87 -1.780 5.116 -1.880 658 HZ3 LYS 87 3HZ LYS 87 -2.689 6.376 -2.426 659 H ASP 88 H ASP 88 -5.340 4.424 3.698 660 HA ASP 88 HA ASP 88 -6.571 5.318 6.096 661 HB2 ASP 88 1HB ASP 88 -5.088 3.327 5.951 662 HB3 ASP 88 2HB ASP 88 -3.703 4.401 5.680 663 H GLY 89 H GLY 89 -6.443 7.122 7.223 664 HA2 GLY 89 1HA GLY 89 -5.639 9.113 8.038 665 HA3 GLY 89 2HA GLY 89 -4.046 8.650 7.433 666 H ILE 90 H ILE 90 -6.846 8.961 5.268 667 HA ILE 90 HA ILE 90 -5.664 11.515 4.269 668 HB ILE 90 HB ILE 90 -6.822 9.230 2.571 669 HG12 ILE 90 1HG1 ILE 90 -4.578 8.716 3.421 670 HG13 ILE 90 2HG1 ILE 90 -4.592 8.951 1.686 671 HG21 ILE 90 1HG2 ILE 90 -5.971 10.695 0.646 672 HG22 ILE 90 2HG2 ILE 90 -5.761 12.009 1.832 673 HG23 ILE 90 3HG2 ILE 90 -7.376 11.339 1.512 674 HD11 ILE 90 1HD1 ILE 90 -3.751 11.157 3.520 675 HD12 ILE 90 2HD1 ILE 90 -3.442 10.933 1.782 676 HD13 ILE 90 3HD1 ILE 90 -2.652 9.867 2.960 677 H ILE 91 H ILE 91 -6.981 13.148 4.036 678 HA ILE 91 HA ILE 91 -9.908 12.626 3.695 679 HB ILE 91 HB ILE 91 -10.373 14.681 5.097 680 HG12 ILE 91 1HG1 ILE 91 -7.986 14.407 6.762 681 HG13 ILE 91 2HG1 ILE 91 -7.572 14.895 5.148 682 HG21 ILE 91 1HG2 ILE 91 -10.437 13.525 7.189 683 HG22 ILE 91 2HG2 ILE 91 -9.147 12.398 6.685 684 HG23 ILE 91 3HG2 ILE 91 -10.742 12.340 5.901 685 HD11 ILE 91 1HD1 ILE 91 -8.000 16.821 6.639 686 HD12 ILE 91 2HD1 ILE 91 -9.691 16.301 6.787 687 HD13 ILE 91 3HD1 ILE 91 -9.032 16.791 5.202 688 H TRP 92 H TRP 92 -10.671 13.627 1.937 689 HA TRP 92 HA TRP 92 -8.929 15.557 0.584 690 HB2 TRP 92 1HB TRP 92 -11.542 14.229 -0.180 691 HB3 TRP 92 2HB TRP 92 -10.621 15.323 -1.219 692 HD1 TRP 92 HD1 TRP 92 -10.612 11.781 0.108 693 HE1 TRP 92 HE1 TRP 92 -8.790 10.397 -0.988 694 HE3 TRP 92 HE3 TRP 92 -8.202 15.615 -2.284 695 HZ2 TRP 92 HZ2 TRP 92 -6.596 10.902 -2.698 696 HZ3 TRP 92 HZ3 TRP 92 -6.182 15.078 -3.643 697 HH2 TRP 92 HH2 TRP 92 -5.390 12.720 -3.860 698 H VAL 93 H VAL 93 -9.267 17.658 0.205 699 HA VAL 93 HA VAL 93 -11.858 18.860 1.040 700 HB VAL 93 HB VAL 93 -10.577 20.772 2.088 701 HG11 VAL 93 1HG1 VAL 93 -10.143 19.642 4.211 702 HG12 VAL 93 2HG1 VAL 93 -10.145 18.062 3.400 703 HG13 VAL 93 3HG1 VAL 93 -11.635 19.035 3.466 704 HG21 VAL 93 1HG2 VAL 93 -8.263 20.468 2.786 705 HG22 VAL 93 2HG2 VAL 93 -8.350 20.282 1.023 706 HG23 VAL 93 3HG2 VAL 93 -8.207 18.847 2.062 707 H ALA 94 H ALA 94 -12.337 20.825 -0.015 708 HA ALA 94 HA ALA 94 -10.532 21.945 -2.008 709 HB1 ALA 94 1HB ALA 94 -11.488 19.904 -3.197 710 HB2 ALA 94 2HB ALA 94 -11.908 21.454 -3.958 711 HB3 ALA 94 3HB ALA 94 -13.108 20.595 -2.957 712 H THR 95 H THR 95 -11.751 23.814 -3.041 713 HA THR 95 HA THR 95 -14.115 24.668 -1.465 714 HB THR 95 HB THR 95 -11.972 25.739 -0.543 715 HG1 THR 95 HG1 THR 95 -13.890 26.753 -0.150 716 HG21 THR 95 1HG2 THR 95 -10.842 26.058 -2.764 717 HG22 THR 95 2HG2 THR 95 -10.969 27.555 -1.817 718 HG23 THR 95 3HG2 THR 95 -12.074 27.275 -3.180 719 H GLU 96 H GLU 96 -14.932 26.805 -2.773 720 HA GLU 96 HA GLU 96 -15.577 25.769 -5.363 721 HB2 GLU 96 1HB GLU 96 -17.001 27.245 -3.910 722 HB3 GLU 96 2HB GLU 96 -15.959 28.604 -4.351 723 HG2 GLU 96 1HG GLU 96 -16.620 28.469 -6.646 724 HG3 GLU 96 2HG GLU 96 -17.363 26.878 -6.402 725 H GLY 97 H GLY 97 -14.755 26.147 -7.322 726 HA2 GLY 97 1HA GLY 97 -13.641 27.417 -8.982 727 HA3 GLY 97 2HA GLY 97 -12.814 28.342 -7.721 728 H ALA 98 H ALA 98 -12.419 25.445 -6.488 729 HA ALA 98 HA ALA 98 -9.739 25.170 -7.546 730 HB1 ALA 98 1HB ALA 98 -10.524 24.806 -5.158 731 HB2 ALA 98 2HB ALA 98 -9.433 23.592 -5.853 732 HB3 ALA 98 3HB ALA 98 -11.180 23.250 -5.728 733 H LEU 99 H LEU 99 -8.931 23.631 -8.981 734 HA LEU 99 HA LEU 99 -11.000 22.078 -10.444 735 HB2 LEU 99 1HB LEU 99 -8.168 22.908 -11.091 736 HB3 LEU 99 2HB LEU 99 -9.048 21.726 -12.044 737 HG LEU 99 HG LEU 99 -9.828 24.634 -11.691 738 HD11 LEU 99 1HD1 LEU 99 -9.177 24.737 -14.076 739 HD12 LEU 99 2HD1 LEU 99 -8.701 23.020 -14.014 740 HD13 LEU 99 3HD1 LEU 99 -7.820 24.230 -13.046 741 HD21 LEU 99 1HD2 LEU 99 -11.476 24.140 -13.508 742 HD22 LEU 99 2HD2 LEU 99 -11.855 23.319 -11.985 743 HD23 LEU 99 3HD2 LEU 99 -11.117 22.406 -13.328 744 H ASN 100 H ASN 100 -11.007 19.965 -10.724 745 HA ASN 100 HA ASN 100 -9.466 18.336 -8.852 746 HB2 ASN 100 1HB ASN 100 -11.693 17.782 -10.827 747 HB3 ASN 100 2HB ASN 100 -10.800 16.457 -10.070 748 HD21 ASN 100 1HD2 ASN 100 -12.892 16.455 -7.358 749 HD22 ASN 100 2HD2 ASN 100 -12.027 15.582 -8.598 750 H THR 101 H THR 101 -7.439 19.189 -10.087 751 HA THR 101 HA THR 101 -6.698 17.079 -12.077 752 HB THR 101 HB THR 101 -7.191 19.513 -13.023 753 HG1 THR 101 HG1 THR 101 -5.510 19.210 -14.528 754 HG21 THR 101 1HG2 THR 101 -5.294 21.014 -12.987 755 HG22 THR 101 2HG2 THR 101 -4.343 19.854 -12.016 756 HG23 THR 101 3HG2 THR 101 -5.784 20.664 -11.317 757 HA PRO 102 HA PRO 102 -3.260 16.660 -9.290 758 HB2 PRO 102 1HB PRO 102 -1.177 16.183 -11.011 759 HB3 PRO 102 2HB PRO 102 -2.386 14.928 -10.568 760 HG2 PRO 102 1HG PRO 102 -2.243 16.716 -12.985 761 HG3 PRO 102 2HG PRO 102 -2.553 14.952 -12.901 762 HD2 PRO 102 1HD PRO 102 -4.549 16.686 -13.184 763 HD3 PRO 102 2HD PRO 102 -4.722 15.255 -12.117 764 H LYS 103 H LYS 103 -1.594 17.861 -8.369 765 HA LYS 103 HA LYS 103 -0.291 19.945 -9.998 766 HB2 LYS 103 1HB LYS 103 -0.862 21.713 -8.289 767 HB3 LYS 103 2HB LYS 103 -2.120 21.208 -9.392 768 HG2 LYS 103 1HG LYS 103 -2.807 19.598 -7.373 769 HG3 LYS 103 2HG LYS 103 -1.895 20.754 -6.429 770 HD2 LYS 103 1HD LYS 103 -4.233 21.377 -6.426 771 HD3 LYS 103 2HD LYS 103 -3.301 22.563 -7.331 772 HE2 LYS 103 1HE LYS 103 -4.087 20.702 -9.288 773 HE3 LYS 103 2HE LYS 103 -5.499 20.835 -8.245 774 HZ1 LYS 103 1HZ LYS 103 -5.325 22.462 -10.164 775 HZ2 LYS 103 2HZ LYS 103 -4.137 23.235 -9.320 776 HZ3 LYS 103 3HZ LYS 103 -5.661 23.122 -8.696 777 H ASP 104 H ASP 104 1.154 17.921 -9.256 778 HA ASP 104 HA ASP 104 2.357 18.137 -6.672 779 HB2 ASP 104 1HB ASP 104 2.557 16.296 -8.580 780 HB3 ASP 104 2HB ASP 104 3.983 17.245 -9.024 781 H HIS 105 H HIS 105 2.429 20.249 -9.325 782 HA HIS 105 HA HIS 105 5.069 21.300 -9.121 783 HB2 HIS 105 1HB HIS 105 4.320 23.169 -10.386 784 HB3 HIS 105 2HB HIS 105 3.456 21.764 -11.017 785 HD1 HIS 105 HD1 HIS 105 0.875 21.913 -11.047 786 HD2 HIS 105 HD2 HIS 105 2.668 24.952 -8.777 787 HE1 HIS 105 HE1 HIS 105 -0.975 23.557 -10.399 788 H ILE 106 H ILE 106 2.488 21.421 -6.888 789 HA ILE 106 HA ILE 106 3.505 23.909 -5.644 790 HB ILE 106 HB ILE 106 1.189 22.165 -4.669 791 HG12 ILE 106 1HG1 ILE 106 1.028 24.569 -6.523 792 HG13 ILE 106 2HG1 ILE 106 0.859 22.891 -7.050 793 HG21 ILE 106 1HG2 ILE 106 0.479 24.380 -3.650 794 HG22 ILE 106 2HG2 ILE 106 1.964 25.126 -4.275 795 HG23 ILE 106 3HG2 ILE 106 2.043 23.844 -3.050 796 HD11 ILE 106 1HD1 ILE 106 -1.293 23.627 -6.832 797 HD12 ILE 106 2HD1 ILE 106 -0.974 24.476 -5.309 798 HD13 ILE 106 3HD1 ILE 106 -1.015 22.695 -5.360 799 H GLY 107 H GLY 107 3.573 20.390 -5.238 800 HA2 GLY 107 1HA GLY 107 4.204 20.449 -2.423 801 HA3 GLY 107 2HA GLY 107 4.344 19.070 -3.518 802 H THR 108 H THR 108 6.078 21.599 -4.828 803 HA THR 108 HA THR 108 8.590 20.287 -4.137 804 HB THR 108 HB THR 108 8.017 21.011 -6.464 805 HG1 THR 108 HG1 THR 108 10.299 22.181 -5.230 806 HG21 THR 108 1HG2 THR 108 8.179 23.351 -7.114 807 HG22 THR 108 2HG2 THR 108 8.482 23.843 -5.436 808 HG23 THR 108 3HG2 THR 108 6.898 23.178 -5.901 809 H ARG 109 H ARG 109 7.052 22.103 -2.076 810 HA ARG 109 HA ARG 109 8.792 24.358 -1.624 811 HB2 ARG 109 1HB ARG 109 6.547 24.082 -0.504 812 HB3 ARG 109 2HB ARG 109 7.246 22.781 0.473 813 HG2 ARG 109 1HG ARG 109 9.006 24.481 1.250 814 HG3 ARG 109 2HG ARG 109 8.025 25.725 0.466 815 HD2 ARG 109 1HD ARG 109 7.505 25.688 2.822 816 HD3 ARG 109 2HD ARG 109 6.117 25.069 1.924 817 HE ARG 109 HE ARG 109 6.390 22.987 2.891 818 HH11 ARG 109 1HH1 ARG 109 9.280 24.907 3.673 819 HH12 ARG 109 2HH1 ARG 109 9.824 23.727 4.826 820 HH21 ARG 109 1HH2 ARG 109 7.138 21.602 4.375 821 HH22 ARG 109 2HH2 ARG 109 8.652 21.882 5.210 822 H ASN 110 H ASN 110 10.899 24.237 -1.221 823 HA ASN 110 HA ASN 110 12.017 21.742 -0.112 824 HB2 ASN 110 1HB ASN 110 13.141 24.166 -1.503 825 HB3 ASN 110 2HB ASN 110 14.206 23.148 -0.531 826 HD21 ASN 110 1HD2 ASN 110 14.397 21.859 -3.961 827 HD22 ASN 110 2HD2 ASN 110 14.827 23.322 -3.111 828 HA PRO 111 HA PRO 111 11.712 23.826 3.775 829 HB2 PRO 111 1HB PRO 111 12.922 22.014 5.424 830 HB3 PRO 111 2HB PRO 111 11.296 21.743 4.717 831 HG2 PRO 111 1HG PRO 111 13.962 20.763 3.723 832 HG3 PRO 111 2HG PRO 111 12.464 19.827 4.037 833 HD2 PRO 111 1HD PRO 111 13.085 20.663 1.557 834 HD3 PRO 111 2HD PRO 111 11.385 20.703 2.142 835 H ALA 112 H ALA 112 14.739 22.865 2.337 836 HA ALA 112 HA ALA 112 16.439 24.224 4.244 837 HB1 ALA 112 1HB ALA 112 17.265 22.399 2.773 838 HB2 ALA 112 2HB ALA 112 18.173 23.907 2.509 839 HB3 ALA 112 3HB ALA 112 16.932 23.406 1.337 840 H ASN 113 H ASN 113 14.499 25.171 1.499 841 HA ASN 113 HA ASN 113 15.963 27.750 1.265 842 HB2 ASN 113 1HB ASN 113 13.896 26.469 -0.559 843 HB3 ASN 113 2HB ASN 113 14.746 27.991 -0.863 844 HD21 ASN 113 1HD2 ASN 113 16.378 25.031 -2.565 845 HD22 ASN 113 2HD2 ASN 113 14.701 25.509 -2.417 846 H ASN 114 H ASN 114 12.827 26.409 2.208 847 HA ASN 114 HA ASN 114 12.003 29.135 3.015 848 HB2 ASN 114 1HB ASN 114 11.026 29.031 0.848 849 HB3 ASN 114 2HB ASN 114 10.433 27.374 1.106 850 HD21 ASN 114 1HD2 ASN 114 7.505 28.361 2.618 851 HD22 ASN 114 2HD2 ASN 114 8.449 27.159 1.775 852 H ALA 115 H ALA 115 10.580 29.245 4.669 853 HA ALA 115 HA ALA 115 10.361 26.829 6.315 854 HB1 ALA 115 1HB ALA 115 10.992 29.000 7.316 855 HB2 ALA 115 2HB ALA 115 9.473 28.390 8.015 856 HB3 ALA 115 3HB ALA 115 9.433 29.693 6.804 857 H ALA 116 H ALA 116 8.477 25.856 7.008 858 HA ALA 116 HA ALA 116 6.210 25.899 5.230 859 HB1 ALA 116 1HB ALA 116 6.458 24.659 8.011 860 HB2 ALA 116 2HB ALA 116 6.945 23.859 6.499 861 HB3 ALA 116 3HB ALA 116 5.240 24.265 6.777 862 H ILE 117 H ILE 117 4.172 26.709 5.562 863 HA ILE 117 HA ILE 117 4.010 29.146 7.127 864 HB ILE 117 HB ILE 117 1.830 27.634 5.677 865 HG12 ILE 117 1HG1 ILE 117 3.184 30.015 4.472 866 HG13 ILE 117 2HG1 ILE 117 3.999 28.459 4.375 867 HG21 ILE 117 1HG2 ILE 117 0.753 29.890 5.486 868 HG22 ILE 117 2HG2 ILE 117 2.058 30.573 6.480 869 HG23 ILE 117 3HG2 ILE 117 0.933 29.382 7.168 870 HD11 ILE 117 1HD1 ILE 117 1.240 29.094 3.365 871 HD12 ILE 117 2HD1 ILE 117 1.961 27.468 3.408 872 HD13 ILE 117 3HD1 ILE 117 2.698 28.734 2.418 873 H VAL 118 H VAL 118 3.041 29.370 9.208 874 HA VAL 118 HA VAL 118 2.180 27.051 10.732 875 HB VAL 118 HB VAL 118 1.538 30.046 11.063 876 HG11 VAL 118 1HG1 VAL 118 0.974 29.445 13.410 877 HG12 VAL 118 2HG1 VAL 118 1.151 27.727 12.998 878 HG13 VAL 118 3HG1 VAL 118 -0.128 28.698 12.235 879 HG21 VAL 118 1HG2 VAL 118 3.281 29.924 12.869 880 HG22 VAL 118 2HG2 VAL 118 3.931 29.648 11.242 881 HG23 VAL 118 3HG2 VAL 118 3.664 28.271 12.334 882 H LEU 119 H LEU 119 0.315 25.931 10.257 883 HA LEU 119 HA LEU 119 -1.368 26.754 8.115 884 HB2 LEU 119 1HB LEU 119 -0.865 24.423 8.986 885 HB3 LEU 119 2HB LEU 119 -2.048 24.718 10.243 886 HG LEU 119 HG LEU 119 -2.819 24.991 7.328 887 HD11 LEU 119 1HD1 LEU 119 -1.632 22.781 7.739 888 HD12 LEU 119 2HD1 LEU 119 -3.297 22.683 7.134 889 HD13 LEU 119 3HD1 LEU 119 -2.960 22.377 8.850 890 HD21 LEU 119 1HD2 LEU 119 -4.603 25.682 8.783 891 HD22 LEU 119 2HD2 LEU 119 -4.327 24.346 9.911 892 HD23 LEU 119 3HD2 LEU 119 -5.025 24.035 8.309 893 H GLN 120 H GLN 120 -3.146 27.876 7.951 894 HA GLN 120 HA GLN 120 -4.703 28.615 10.392 895 HB2 GLN 120 1HB GLN 120 -3.853 30.365 8.061 896 HB3 GLN 120 2HB GLN 120 -5.072 30.824 9.257 897 HG2 GLN 120 1HG GLN 120 -3.524 31.098 10.940 898 HG3 GLN 120 2HG GLN 120 -2.350 30.035 10.170 899 HE21 GLN 120 1HE2 GLN 120 -0.907 32.540 8.156 900 HE22 GLN 120 2HE2 GLN 120 -1.075 30.820 8.431 901 H LEU 121 H LEU 121 -6.922 28.820 9.943 902 HA LEU 121 HA LEU 121 -7.757 27.662 7.316 903 HB2 LEU 121 1HB LEU 121 -8.830 27.482 10.117 904 HB3 LEU 121 2HB LEU 121 -9.974 27.451 8.788 905 HG LEU 121 HG LEU 121 -7.691 25.486 9.110 906 HD11 LEU 121 1HD1 LEU 121 -9.544 23.931 9.771 907 HD12 LEU 121 2HD1 LEU 121 -10.652 25.320 9.782 908 HD13 LEU 121 3HD1 LEU 121 -9.291 25.260 10.920 909 HD21 LEU 121 1HD2 LEU 121 -8.409 25.659 6.763 910 HD22 LEU 121 2HD2 LEU 121 -10.120 25.529 7.236 911 HD23 LEU 121 3HD2 LEU 121 -9.020 24.144 7.444 912 HA PRO 122 HA PRO 122 -9.553 31.573 6.592 913 HB2 PRO 122 1HB PRO 122 -11.510 31.028 4.791 914 HB3 PRO 122 2HB PRO 122 -9.757 30.850 4.381 915 HG2 PRO 122 1HG PRO 122 -11.732 28.756 5.270 916 HG3 PRO 122 2HG PRO 122 -10.637 28.742 3.849 917 HD2 PRO 122 1HD PRO 122 -9.993 27.514 6.161 918 HD3 PRO 122 2HD PRO 122 -8.751 28.346 5.163 919 H GLN 123 H GLN 123 -11.566 32.828 6.749 920 HA GLN 123 HA GLN 123 -12.969 32.362 9.135 921 HB2 GLN 123 1HB GLN 123 -12.773 34.540 7.918 922 HB3 GLN 123 2HB GLN 123 -13.883 33.929 6.687 923 HG2 GLN 123 1HG GLN 123 -15.669 33.742 8.367 924 HG3 GLN 123 2HG GLN 123 -14.560 34.321 9.622 925 HE21 GLN 123 1HE2 GLN 123 -16.645 36.953 7.512 926 HE22 GLN 123 2HE2 GLN 123 -17.008 35.249 7.637 927 H GLY 124 H GLY 124 -14.699 31.176 9.677 928 HA2 GLY 124 1HA GLY 124 -16.831 30.179 9.187 929 HA3 GLY 124 2HA GLY 124 -16.335 29.970 7.502 930 H THR 125 H THR 125 -13.576 28.946 8.392 931 HA THR 125 HA THR 125 -14.592 26.232 9.132 932 HB THR 125 HB THR 125 -11.845 26.773 8.007 933 HG1 THR 125 HG1 THR 125 -13.415 27.680 6.589 934 HG21 THR 125 1HG2 THR 125 -12.420 24.509 8.942 935 HG22 THR 125 2HG2 THR 125 -12.113 24.469 7.200 936 HG23 THR 125 3HG2 THR 125 -13.777 24.417 7.808 937 H THR 126 H THR 126 -14.090 25.318 10.974 938 HA THR 126 HA THR 126 -11.859 26.469 12.594 939 HB THR 126 HB THR 126 -13.204 25.498 14.555 940 HG1 THR 126 HG1 THR 126 -14.696 24.284 13.396 941 HG21 THR 126 1HG2 THR 126 -14.612 27.470 14.728 942 HG22 THR 126 2HG2 THR 126 -14.417 27.793 12.990 943 HG23 THR 126 3HG2 THR 126 -13.009 27.896 14.081 944 H LEU 127 H LEU 127 -10.580 25.051 13.718 945 HA LEU 127 HA LEU 127 -10.218 22.437 12.523 946 HB2 LEU 127 1HB LEU 127 -9.169 23.588 15.117 947 HB3 LEU 127 2HB LEU 127 -8.638 22.082 14.427 948 HG LEU 127 HG LEU 127 -8.218 24.767 13.093 949 HD11 LEU 127 1HD1 LEU 127 -5.891 24.570 13.856 950 HD12 LEU 127 2HD1 LEU 127 -6.283 23.062 14.717 951 HD13 LEU 127 3HD1 LEU 127 -7.001 24.601 15.244 952 HD21 LEU 127 1HD2 LEU 127 -6.577 23.507 11.724 953 HD22 LEU 127 2HD2 LEU 127 -8.217 22.867 11.522 954 HD23 LEU 127 3HD2 LEU 127 -7.048 22.001 12.546 955 HA PRO 128 HA PRO 128 -13.156 20.337 15.022 956 HB2 PRO 128 1HB PRO 128 -12.233 17.778 15.094 957 HB3 PRO 128 2HB PRO 128 -12.771 18.547 13.564 958 HG2 PRO 128 1HG PRO 128 -10.032 18.206 14.664 959 HG3 PRO 128 2HG PRO 128 -10.648 17.844 13.031 960 HD2 PRO 128 1HD PRO 128 -9.302 20.145 13.662 961 HD3 PRO 128 2HD PRO 128 -10.561 20.102 12.395 962 H LYS 129 H LYS 129 -13.334 18.756 16.987 963 HA LYS 129 HA LYS 129 -12.130 19.978 19.242 964 HB2 LYS 129 1HB LYS 129 -14.245 18.600 19.168 965 HB3 LYS 129 2HB LYS 129 -13.222 17.159 19.067 966 HG2 LYS 129 1HG LYS 129 -12.186 17.765 21.243 967 HG3 LYS 129 2HG LYS 129 -13.231 19.195 21.321 968 HD2 LYS 129 1HD LYS 129 -14.370 17.659 22.622 969 HD3 LYS 129 2HD LYS 129 -15.181 17.527 21.051 970 HE2 LYS 129 1HE LYS 129 -12.897 15.710 21.201 971 HE3 LYS 129 2HE LYS 129 -13.992 15.449 22.571 972 HZ1 LYS 129 1HZ LYS 129 -14.628 14.092 20.716 973 HZ2 LYS 129 2HZ LYS 129 -14.716 15.371 19.698 974 HZ3 LYS 129 3HZ LYS 129 -15.806 15.230 20.937 975 H GLY 130 H GLY 130 -10.196 19.706 20.202 976 HA2 GLY 130 1HA GLY 130 -8.342 18.522 20.986 977 HA3 GLY 130 2HA GLY 130 -8.841 17.135 20.020 978 H PHE 131 H PHE 131 -8.508 20.228 18.407 979 HA PHE 131 HA PHE 131 -5.889 19.318 17.321 980 HB2 PHE 131 1HB PHE 131 -8.412 20.120 16.007 981 HB3 PHE 131 2HB PHE 131 -6.956 20.872 15.362 982 HD1 PHE 131 HD1 PHE 131 -8.341 17.513 16.288 983 HD2 PHE 131 HD2 PHE 131 -5.676 19.781 13.802 984 HE1 PHE 131 HE1 PHE 131 -7.812 15.472 15.000 985 HE2 PHE 131 HE2 PHE 131 -5.117 17.731 12.509 986 HZ PHE 131 HZ PHE 131 -6.179 15.573 13.114 987 H TYR 132 H TYR 132 -4.338 20.750 17.090 988 HA TYR 132 HA TYR 132 -4.967 23.623 17.113 989 HB2 TYR 132 1HB TYR 132 -3.320 24.222 18.764 990 HB3 TYR 132 2HB TYR 132 -4.492 23.129 19.498 991 HD1 TYR 132 HD1 TYR 132 -3.808 20.921 20.323 992 HD2 TYR 132 HD2 TYR 132 -0.979 23.475 18.311 993 HE1 TYR 132 HE1 TYR 132 -1.927 19.503 21.152 994 HE2 TYR 132 HE2 TYR 132 0.890 22.041 19.132 995 HH TYR 132 HH TYR 132 0.329 19.159 21.175 996 H ALA 133 H ALA 133 -3.237 24.867 16.152 997 HA ALA 133 HA ALA 133 -1.825 23.221 14.181 998 HB1 ALA 133 1HB ALA 133 -3.107 25.175 13.395 999 HB2 ALA 133 2HB ALA 133 -1.374 25.397 13.067 1000 HB3 ALA 133 3HB ALA 133 -2.133 26.243 14.432 1001 H GLU 134 H GLU 134 0.333 23.005 13.969 1002 HA GLU 134 HA GLU 134 2.022 23.628 16.242 1003 HB2 GLU 134 1HB GLU 134 2.442 21.669 14.862 1004 HB3 GLU 134 2HB GLU 134 2.577 22.664 13.417 1005 HG2 GLU 134 1HG GLU 134 4.768 22.075 14.026 1006 HG3 GLU 134 2HG GLU 134 4.568 23.778 14.468 1007 H GLY 135 H GLY 135 3.430 25.343 16.481 1008 HA2 GLY 135 1HA GLY 135 4.605 27.266 15.813 1009 HA3 GLY 135 2HA GLY 135 3.813 27.210 14.230 1010 H SER 136 H SER 136 1.371 26.733 16.358 1011 HA SER 136 HA SER 136 0.819 29.661 16.648 1012 HB2 SER 136 1HB SER 136 -0.697 28.289 15.098 1013 HB3 SER 136 2HB SER 136 -1.221 27.410 16.547 1014 HG SER 136 HG SER 136 -1.728 30.034 15.745 1015 H ARG 137 H ARG 137 -0.784 29.946 18.572 1016 HA ARG 137 HA ARG 137 -0.928 30.058 20.814 1017 HB2 ARG 137 1HB ARG 137 -2.125 27.879 20.146 1018 HB3 ARG 137 2HB ARG 137 -0.744 27.051 20.878 1019 HG2 ARG 137 1HG ARG 137 -2.229 27.195 22.649 1020 HG3 ARG 137 2HG ARG 137 -1.198 28.616 22.887 1021 HD2 ARG 137 1HD ARG 137 -2.929 29.964 21.621 1022 HD3 ARG 137 2HD ARG 137 -3.997 28.553 21.719 1023 HE ARG 137 HE ARG 137 -3.186 30.374 23.885 1024 HH11 ARG 137 1HH1 ARG 137 -4.741 27.288 23.142 1025 HH12 ARG 137 2HH1 ARG 137 -5.545 27.220 24.687 1026 HH21 ARG 137 1HH2 ARG 137 -4.211 30.197 25.837 1027 HH22 ARG 137 2HH2 ARG 137 -5.247 28.839 26.184 1028 H GLY 138 H GLY 138 1.435 30.835 20.332 1029 HA2 GLY 138 1HA GLY 138 3.396 29.299 21.921 1030 HA3 GLY 138 2HA GLY 138 3.686 30.809 21.023 1031 H GLY 139 H GLY 139 4.606 31.911 22.796 1032 HA2 GLY 139 1HA GLY 139 2.785 32.408 25.105 1033 HA3 GLY 139 2HA GLY 139 4.536 32.737 25.058 1034 H SER 140 H SER 140 2.440 34.639 25.703 1035 HA SER 140 HA SER 140 1.743 36.764 25.251 1036 HB2 SER 140 1HB SER 140 4.244 37.088 25.001 1037 HB3 SER 140 2HB SER 140 4.017 36.912 23.247 1038 HG SER 140 HG SER 140 2.483 38.635 23.402 Start of MODEL 40 1 H1 GLY 1 1H GLY 1 4.858 0.120 -4.973 2 H2 GLY 1 2H GLY 1 6.454 -0.189 -5.263 3 H3 GLY 1 3H GLY 1 5.972 1.326 -4.825 4 HA2 GLY 1 1HA GLY 1 5.274 0.552 -2.680 5 HA3 GLY 1 2HA GLY 1 5.828 -1.072 -3.138 6 H ALA 2 H ALA 2 7.306 -1.035 -1.319 7 HA ALA 2 HA ALA 2 9.301 -0.652 -0.283 8 HB1 ALA 2 1HB ALA 2 10.045 -1.720 -2.411 9 HB2 ALA 2 2HB ALA 2 11.267 -0.620 -1.730 10 HB3 ALA 2 3HB ALA 2 10.282 -0.101 -3.118 11 H MET 3 H MET 3 7.665 1.588 -0.108 12 HA MET 3 HA MET 3 9.126 3.979 -0.857 13 HB2 MET 3 1HB MET 3 6.607 3.683 -0.712 14 HB3 MET 3 2HB MET 3 6.766 3.746 1.040 15 HG2 MET 3 1HG MET 3 6.091 5.919 0.053 16 HG3 MET 3 2HG MET 3 7.618 6.024 0.935 17 HE1 MET 3 1HE MET 3 7.381 6.040 -3.721 18 HE2 MET 3 2HE MET 3 5.987 5.734 -2.660 19 HE3 MET 3 3HE MET 3 7.275 4.517 -2.814 20 H GLY 4 H GLY 4 10.994 2.703 0.433 21 HA2 GLY 4 1HA GLY 4 11.085 3.686 3.246 22 HA3 GLY 4 2HA GLY 4 12.250 2.602 2.448 23 H LEU 5 H LEU 5 12.081 4.344 0.044 24 HA LEU 5 HA LEU 5 14.383 6.004 0.601 25 HB2 LEU 5 1HB LEU 5 12.533 5.766 -1.805 26 HB3 LEU 5 2HB LEU 5 13.941 6.801 -1.763 27 HG LEU 5 HG LEU 5 14.519 4.948 -3.051 28 HD11 LEU 5 1HD1 LEU 5 16.429 4.000 -1.911 29 HD12 LEU 5 2HD1 LEU 5 15.748 4.414 -0.323 30 HD13 LEU 5 3HD1 LEU 5 16.255 5.703 -1.445 31 HD21 LEU 5 1HD2 LEU 5 14.341 2.630 -2.459 32 HD22 LEU 5 2HD2 LEU 5 12.744 3.374 -2.256 33 HD23 LEU 5 3HD2 LEU 5 13.754 3.024 -0.831 34 HA PRO 6 HA PRO 6 12.077 9.612 1.628 35 HB2 PRO 6 1HB PRO 6 13.592 11.692 0.683 36 HB3 PRO 6 2HB PRO 6 14.084 10.720 2.108 37 HG2 PRO 6 1HG PRO 6 14.945 10.426 -0.767 38 HG3 PRO 6 2HG PRO 6 15.960 10.521 0.709 39 HD2 PRO 6 1HD PRO 6 15.330 8.153 -0.422 40 HD3 PRO 6 2HD PRO 6 15.408 8.337 1.365 41 H ASN 7 H ASN 7 10.459 10.880 0.677 42 HA ASN 7 HA ASN 7 10.029 10.352 -2.183 43 HB2 ASN 7 1HB ASN 7 7.794 11.391 -1.767 44 HB3 ASN 7 2HB ASN 7 8.147 9.988 -0.750 45 HD21 ASN 7 1HD2 ASN 7 6.981 11.875 1.928 46 HD22 ASN 7 2HD2 ASN 7 6.748 10.503 0.868 47 H ASN 8 H ASN 8 11.366 12.847 -0.340 48 HA ASN 8 HA ASN 8 12.144 14.929 -0.799 49 HB2 ASN 8 1HB ASN 8 13.017 13.598 -2.816 50 HB3 ASN 8 2HB ASN 8 11.724 14.375 -3.741 51 HD21 ASN 8 1HD2 ASN 8 13.721 17.129 -4.353 52 HD22 ASN 8 2HD2 ASN 8 12.510 15.993 -4.891 53 H THR 9 H THR 9 9.438 14.886 -0.093 54 HA THR 9 HA THR 9 8.429 17.232 -1.533 55 HB THR 9 HB THR 9 6.140 16.344 -1.404 56 HG1 THR 9 HG1 THR 9 7.430 14.185 -0.082 57 HG21 THR 9 1HG2 THR 9 6.176 14.536 -2.983 58 HG22 THR 9 2HG2 THR 9 7.833 14.092 -2.516 59 HG23 THR 9 3HG2 THR 9 7.531 15.615 -3.383 60 H ALA 10 H ALA 10 7.272 18.454 -0.065 61 HA ALA 10 HA ALA 10 7.085 17.623 2.752 62 HB1 ALA 10 1HB ALA 10 8.308 19.514 3.636 63 HB2 ALA 10 2HB ALA 10 8.541 20.192 2.009 64 HB3 ALA 10 3HB ALA 10 9.369 18.688 2.472 65 H SER 11 H SER 11 5.433 18.635 3.843 66 HA SER 11 HA SER 11 3.361 19.878 2.309 67 HB2 SER 11 1HB SER 11 2.946 18.683 4.440 68 HB3 SER 11 2HB SER 11 3.872 19.918 5.314 69 HG SER 11 HG SER 11 1.409 20.207 3.917 70 H TRP 12 H TRP 12 2.820 22.023 2.059 71 HA TRP 12 HA TRP 12 4.903 23.986 2.290 72 HB2 TRP 12 1HB TRP 12 2.100 23.900 1.329 73 HB3 TRP 12 2HB TRP 12 2.691 25.474 1.887 74 HD1 TRP 12 HD1 TRP 12 3.060 23.047 -0.998 75 HE1 TRP 12 HE1 TRP 12 4.563 23.975 -2.804 76 HE3 TRP 12 HE3 TRP 12 4.863 27.029 1.635 77 HZ2 TRP 12 HZ2 TRP 12 6.386 26.166 -3.067 78 HZ3 TRP 12 HZ3 TRP 12 6.527 28.532 0.537 79 HH2 TRP 12 HH2 TRP 12 7.284 28.090 -1.799 80 H PHE 13 H PHE 13 2.509 22.850 4.506 81 HA PHE 13 HA PHE 13 2.843 25.333 6.121 82 HB2 PHE 13 1HB PHE 13 0.449 23.486 5.979 83 HB3 PHE 13 2HB PHE 13 0.567 25.000 6.889 84 HD1 PHE 13 HD1 PHE 13 -0.094 23.467 3.660 85 HD2 PHE 13 HD2 PHE 13 0.758 27.169 5.669 86 HE1 PHE 13 HE1 PHE 13 -0.839 24.718 1.653 87 HE2 PHE 13 HE2 PHE 13 0.032 28.434 3.657 88 HZ PHE 13 HZ PHE 13 -0.735 27.203 1.634 89 H THR 14 H THR 14 2.432 25.097 8.415 90 HA THR 14 HA THR 14 4.032 22.949 9.494 91 HB THR 14 HB THR 14 3.401 23.876 11.688 92 HG1 THR 14 HG1 THR 14 1.908 25.473 11.865 93 HG21 THR 14 1HG2 THR 14 4.329 26.130 11.429 94 HG22 THR 14 2HG2 THR 14 4.077 26.047 9.675 95 HG23 THR 14 3HG2 THR 14 5.239 24.954 10.458 96 H ALA 15 H ALA 15 3.221 21.503 11.219 97 HA ALA 15 HA ALA 15 1.034 20.009 10.100 98 HB1 ALA 15 1HB ALA 15 2.402 19.486 12.734 99 HB2 ALA 15 2HB ALA 15 3.193 19.161 11.177 100 HB3 ALA 15 3HB ALA 15 1.684 18.322 11.587 101 H LEU 16 H LEU 16 -0.885 19.411 10.985 102 HA LEU 16 HA LEU 16 -1.980 21.096 13.195 103 HB2 LEU 16 1HB LEU 16 -3.124 19.092 11.224 104 HB3 LEU 16 2HB LEU 16 -3.982 19.519 12.684 105 HG LEU 16 HG LEU 16 -3.317 21.388 10.417 106 HD11 LEU 16 1HD1 LEU 16 -5.739 21.403 10.079 107 HD12 LEU 16 2HD1 LEU 16 -5.969 20.319 11.474 108 HD13 LEU 16 3HD1 LEU 16 -5.138 19.734 10.014 109 HD21 LEU 16 1HD2 LEU 16 -3.211 22.679 12.437 110 HD22 LEU 16 2HD2 LEU 16 -4.663 21.886 13.098 111 HD23 LEU 16 3HD2 LEU 16 -4.796 22.984 11.708 112 H THR 17 H THR 17 -2.637 20.037 15.165 113 HA THR 17 HA THR 17 -1.454 17.295 15.494 114 HB THR 17 HB THR 17 -1.631 19.482 17.601 115 HG1 THR 17 HG1 THR 17 -0.198 20.133 16.007 116 HG21 THR 17 1HG2 THR 17 0.146 18.054 18.662 117 HG22 THR 17 2HG2 THR 17 -0.191 16.814 17.433 118 HG23 THR 17 3HG2 THR 17 -1.461 17.305 18.584 119 H GLN 18 H GLN 18 -2.739 15.790 16.504 120 HA GLN 18 HA GLN 18 -5.507 16.711 17.185 121 HB2 GLN 18 1HB GLN 18 -5.479 15.227 15.285 122 HB3 GLN 18 2HB GLN 18 -4.401 14.110 16.088 123 HG2 GLN 18 1HG GLN 18 -6.637 13.149 15.996 124 HG3 GLN 18 2HG GLN 18 -6.200 13.453 17.673 125 HE21 GLN 18 1HE2 GLN 18 -9.724 14.615 16.598 126 HE22 GLN 18 2HE2 GLN 18 -8.797 13.221 16.070 127 H HIS 19 H HIS 19 -6.308 16.424 19.121 128 HA HIS 19 HA HIS 19 -5.155 14.264 20.860 129 HB2 HIS 19 1HB HIS 19 -4.496 16.525 21.706 130 HB3 HIS 19 2HB HIS 19 -6.197 17.003 21.711 131 HD1 HIS 19 HD1 HIS 19 -3.668 15.757 23.956 132 HD2 HIS 19 HD2 HIS 19 -7.761 15.137 23.481 133 HE1 HIS 19 HE1 HIS 19 -4.524 14.797 26.134 134 H GLY 20 H GLY 20 -6.749 12.749 20.383 135 HA2 GLY 20 1HA GLY 20 -9.320 12.992 21.509 136 HA3 GLY 20 2HA GLY 20 -9.447 13.443 19.795 137 H LYS 21 H LYS 21 -10.883 11.397 20.024 138 HA LYS 21 HA LYS 21 -9.251 8.909 19.786 139 HB2 LYS 21 1HB LYS 21 -12.241 9.372 20.057 140 HB3 LYS 21 2HB LYS 21 -11.488 7.783 19.842 141 HG2 LYS 21 1HG LYS 21 -10.180 8.176 21.948 142 HG3 LYS 21 2HG LYS 21 -11.103 9.673 22.188 143 HD2 LYS 21 1HD LYS 21 -13.204 8.367 22.207 144 HD3 LYS 21 2HD LYS 21 -12.266 6.873 21.987 145 HE2 LYS 21 1HE LYS 21 -11.057 7.338 24.110 146 HE3 LYS 21 2HE LYS 21 -12.046 8.795 24.342 147 HZ1 LYS 21 1HZ LYS 21 -12.929 6.914 25.576 148 HZ2 LYS 21 2HZ LYS 21 -13.084 6.018 24.200 149 HZ3 LYS 21 3HZ LYS 21 -14.008 7.369 24.412 150 H GLU 22 H GLU 22 -11.243 11.122 17.968 151 HA GLU 22 HA GLU 22 -11.433 9.391 15.615 152 HB2 GLU 22 1HB GLU 22 -12.381 11.443 14.564 153 HB3 GLU 22 2HB GLU 22 -13.208 10.968 16.039 154 HG2 GLU 22 1HG GLU 22 -11.580 12.697 17.193 155 HG3 GLU 22 2HG GLU 22 -11.444 13.349 15.550 156 H ASP 23 H ASP 23 -10.508 10.316 13.498 157 HA ASP 23 HA ASP 23 -7.699 10.961 14.139 158 HB2 ASP 23 1HB ASP 23 -7.062 9.966 12.115 159 HB3 ASP 23 2HB ASP 23 -8.261 8.918 12.833 160 H LEU 24 H LEU 24 -9.949 12.035 11.478 161 HA LEU 24 HA LEU 24 -9.768 14.807 12.211 162 HB2 LEU 24 1HB LEU 24 -7.482 14.716 11.306 163 HB3 LEU 24 2HB LEU 24 -8.066 13.964 9.838 164 HG LEU 24 HG LEU 24 -9.145 16.000 9.130 165 HD11 LEU 24 1HD1 LEU 24 -9.725 16.930 11.457 166 HD12 LEU 24 2HD1 LEU 24 -9.151 18.089 10.251 167 HD13 LEU 24 3HD1 LEU 24 -8.059 17.517 11.522 168 HD21 LEU 24 1HD2 LEU 24 -7.157 17.409 8.824 169 HD22 LEU 24 2HD2 LEU 24 -6.776 15.687 8.622 170 HD23 LEU 24 3HD2 LEU 24 -6.328 16.523 10.126 171 H LYS 25 H LYS 25 -11.418 15.920 11.152 172 HA LYS 25 HA LYS 25 -12.219 15.020 8.498 173 HB2 LYS 25 1HB LYS 25 -13.582 13.646 10.168 174 HB3 LYS 25 2HB LYS 25 -14.306 15.163 10.706 175 HG2 LYS 25 1HG LYS 25 -15.815 14.099 9.151 176 HG3 LYS 25 2HG LYS 25 -15.138 15.531 8.358 177 HD2 LYS 25 1HD LYS 25 -13.476 14.061 7.195 178 HD3 LYS 25 2HD LYS 25 -14.229 12.648 7.957 179 HE2 LYS 25 1HE LYS 25 -16.359 13.188 6.834 180 HE3 LYS 25 2HE LYS 25 -15.605 14.621 6.091 181 HZ1 LYS 25 1HZ LYS 25 -14.050 13.154 4.970 182 HZ2 LYS 25 2HZ LYS 25 -15.593 12.708 4.595 183 HZ3 LYS 25 3HZ LYS 25 -14.717 11.820 5.675 184 H PHE 26 H PHE 26 -12.966 16.691 7.289 185 HA PHE 26 HA PHE 26 -13.545 19.263 8.705 186 HB2 PHE 26 1HB PHE 26 -11.930 18.689 6.211 187 HB3 PHE 26 2HB PHE 26 -12.737 20.244 6.416 188 HD1 PHE 26 HD1 PHE 26 -9.563 19.157 6.464 189 HD2 PHE 26 HD2 PHE 26 -12.386 20.856 9.269 190 HE1 PHE 26 HE1 PHE 26 -7.709 19.961 7.885 191 HE2 PHE 26 HE2 PHE 26 -10.507 21.697 10.626 192 HZ PHE 26 HZ PHE 26 -8.163 21.236 9.952 193 HA PRO 27 HA PRO 27 -17.394 19.022 6.573 194 HB2 PRO 27 1HB PRO 27 -18.069 21.654 6.181 195 HB3 PRO 27 2HB PRO 27 -18.068 20.884 7.799 196 HG2 PRO 27 1HG PRO 27 -15.979 22.581 6.525 197 HG3 PRO 27 2HG PRO 27 -16.671 22.683 8.159 198 HD2 PRO 27 1HD PRO 27 -14.294 21.486 7.659 199 HD3 PRO 27 2HD PRO 27 -15.413 20.885 8.931 200 H ARG 28 H ARG 28 -18.467 19.338 4.489 201 HA ARG 28 HA ARG 28 -16.598 19.170 2.300 202 HB2 ARG 28 1HB ARG 28 -18.765 17.954 2.509 203 HB3 ARG 28 2HB ARG 28 -19.602 19.478 2.173 204 HG2 ARG 28 1HG ARG 28 -18.659 19.589 -0.037 205 HG3 ARG 28 2HG ARG 28 -17.554 18.235 0.307 206 HD2 ARG 28 1HD ARG 28 -19.434 16.736 0.607 207 HD3 ARG 28 2HD ARG 28 -20.562 18.076 0.348 208 HE ARG 28 HE ARG 28 -18.894 17.957 -1.916 209 HH11 ARG 28 1HH1 ARG 28 -21.350 15.911 -0.417 210 HH12 ARG 28 2HH1 ARG 28 -21.799 15.180 -1.935 211 HH21 ARG 28 1HH2 ARG 28 -19.530 16.988 -3.816 212 HH22 ARG 28 2HH2 ARG 28 -20.786 15.780 -3.819 213 H GLY 29 H GLY 29 -15.927 20.689 0.841 214 HA2 GLY 29 1HA GLY 29 -16.096 22.644 -0.457 215 HA3 GLY 29 2HA GLY 29 -17.443 23.202 0.552 216 H GLN 30 H GLN 30 -15.107 22.067 2.585 217 HA GLN 30 HA GLN 30 -13.556 24.594 2.816 218 HB2 GLN 30 1HB GLN 30 -15.478 23.331 4.774 219 HB3 GLN 30 2HB GLN 30 -14.133 24.297 5.354 220 HG2 GLN 30 1HG GLN 30 -15.003 26.263 4.359 221 HG3 GLN 30 2HG GLN 30 -16.245 25.337 3.487 222 HE21 GLN 30 1HE2 GLN 30 -16.732 26.215 7.444 223 HE22 GLN 30 2HE2 GLN 30 -15.153 26.397 6.683 224 H GLY 31 H GLY 31 -11.777 24.209 4.479 225 HA2 GLY 31 1HA GLY 31 -11.189 22.525 6.259 226 HA3 GLY 31 2HA GLY 31 -11.327 21.292 4.983 227 H VAL 32 H VAL 32 -10.376 23.153 2.962 228 HA VAL 32 HA VAL 32 -7.602 22.574 3.229 229 HB VAL 32 HB VAL 32 -7.316 23.865 1.209 230 HG11 VAL 32 1HG1 VAL 32 -9.778 22.114 1.105 231 HG12 VAL 32 2HG1 VAL 32 -8.086 21.573 0.991 232 HG13 VAL 32 3HG1 VAL 32 -8.786 22.568 -0.289 233 HG21 VAL 32 1HG2 VAL 32 -9.153 24.895 0.013 234 HG22 VAL 32 2HG2 VAL 32 -8.780 25.719 1.534 235 HG23 VAL 32 3HG2 VAL 32 -10.206 24.652 1.431 236 HA PRO 33 HA PRO 33 -6.594 26.108 5.676 237 HB2 PRO 33 1HB PRO 33 -3.882 26.131 5.348 238 HB3 PRO 33 2HB PRO 33 -4.741 24.863 6.274 239 HG2 PRO 33 1HG PRO 33 -3.718 24.788 3.492 240 HG3 PRO 33 2HG PRO 33 -3.586 23.572 4.780 241 HD2 PRO 33 1HD PRO 33 -5.438 23.457 2.786 242 HD3 PRO 33 2HD PRO 33 -5.723 22.762 4.422 243 H ILE 34 H ILE 34 -5.304 28.194 5.501 244 HA ILE 34 HA ILE 34 -6.051 29.535 3.029 245 HB ILE 34 HB ILE 34 -4.350 30.476 5.384 246 HG12 ILE 34 1HG1 ILE 34 -7.225 31.069 4.648 247 HG13 ILE 34 2HG1 ILE 34 -6.723 29.919 5.892 248 HG21 ILE 34 1HG2 ILE 34 -3.940 31.720 3.201 249 HG22 ILE 34 2HG2 ILE 34 -4.571 32.728 4.502 250 HG23 ILE 34 3HG2 ILE 34 -5.657 32.173 3.199 251 HD11 ILE 34 1HD1 ILE 34 -7.328 31.965 6.978 252 HD12 ILE 34 2HD1 ILE 34 -6.274 32.908 5.916 253 HD13 ILE 34 3HD1 ILE 34 -5.573 31.772 7.095 254 H ASN 35 H ASN 35 -4.964 29.331 1.254 255 HA ASN 35 HA ASN 35 -2.026 28.811 1.453 256 HB2 ASN 35 1HB ASN 35 -3.835 28.096 -0.867 257 HB3 ASN 35 2HB ASN 35 -2.151 27.652 -0.656 258 HD21 ASN 35 1HD2 ASN 35 -4.484 24.852 0.254 259 HD22 ASN 35 2HD2 ASN 35 -4.347 25.896 -1.135 260 H THR 36 H THR 36 -1.640 31.046 1.678 261 HA THR 36 HA THR 36 -2.545 33.039 -0.174 262 HB THR 36 HB THR 36 -0.775 34.441 0.862 263 HG1 THR 36 HG1 THR 36 0.710 33.485 2.237 264 HG21 THR 36 1HG2 THR 36 -1.506 34.343 3.131 265 HG22 THR 36 2HG2 THR 36 -1.931 32.623 2.986 266 HG23 THR 36 3HG2 THR 36 -2.897 33.858 2.135 267 H ASN 37 H ASN 37 -0.123 30.672 -0.438 268 HA ASN 37 HA ASN 37 1.381 32.205 -2.511 269 HB2 ASN 37 1HB ASN 37 3.170 30.548 -2.128 270 HB3 ASN 37 2HB ASN 37 2.717 31.352 -0.620 271 HD21 ASN 37 1HD2 ASN 37 1.475 28.459 0.945 272 HD22 ASN 37 2HD2 ASN 37 1.527 30.209 0.954 273 H SER 38 H SER 38 -1.292 30.722 -2.749 274 HA SER 38 HA SER 38 -0.455 28.947 -4.991 275 HB2 SER 38 1HB SER 38 -2.684 28.312 -3.043 276 HB3 SER 38 2HB SER 38 -1.972 27.258 -4.274 277 HG SER 38 HG SER 38 0.057 27.813 -2.943 278 H SER 39 H SER 39 -2.108 28.576 -6.589 279 HA SER 39 HA SER 39 -3.664 30.980 -7.140 280 HB2 SER 39 1HB SER 39 -3.783 28.217 -8.427 281 HB3 SER 39 2HB SER 39 -4.351 29.741 -9.133 282 HG SER 39 HG SER 39 -2.340 29.358 -9.958 283 HA PRO 40 HA PRO 40 -7.367 29.658 -5.168 284 HB2 PRO 40 1HB PRO 40 -9.430 30.234 -6.874 285 HB3 PRO 40 2HB PRO 40 -8.521 31.497 -5.977 286 HG2 PRO 40 1HG PRO 40 -8.110 30.555 -8.805 287 HG3 PRO 40 2HG PRO 40 -8.314 32.228 -8.190 288 HD2 PRO 40 1HD PRO 40 -5.863 31.218 -8.660 289 HD3 PRO 40 2HD PRO 40 -6.164 32.257 -7.223 290 H ASP 41 H ASP 41 -6.723 28.711 -8.472 291 HA ASP 41 HA ASP 41 -8.318 26.400 -8.786 292 HB2 ASP 41 1HB ASP 41 -5.458 26.820 -9.734 293 HB3 ASP 41 2HB ASP 41 -6.702 25.842 -10.511 294 H ASP 42 H ASP 42 -5.629 27.037 -6.744 295 HA ASP 42 HA ASP 42 -4.880 24.182 -6.552 296 HB2 ASP 42 1HB ASP 42 -3.176 25.806 -7.342 297 HB3 ASP 42 2HB ASP 42 -3.261 26.613 -5.784 298 H GLN 43 H GLN 43 -6.817 26.246 -4.829 299 HA GLN 43 HA GLN 43 -5.807 25.843 -2.184 300 HB2 GLN 43 1HB GLN 43 -8.687 26.137 -3.081 301 HB3 GLN 43 2HB GLN 43 -8.097 26.319 -1.426 302 HG2 GLN 43 1HG GLN 43 -7.415 28.063 -3.801 303 HG3 GLN 43 2HG GLN 43 -8.435 28.513 -2.442 304 HE21 GLN 43 1HE2 GLN 43 -4.473 29.179 -2.339 305 HE22 GLN 43 2HE2 GLN 43 -5.379 28.739 -3.775 306 H ILE 44 H ILE 44 -7.514 23.710 -4.357 307 HA ILE 44 HA ILE 44 -8.546 21.799 -2.542 308 HB ILE 44 HB ILE 44 -9.104 21.987 -4.959 309 HG12 ILE 44 1HG1 ILE 44 -8.061 19.201 -4.537 310 HG13 ILE 44 2HG1 ILE 44 -9.375 19.842 -3.552 311 HG21 ILE 44 1HG2 ILE 44 -6.848 22.413 -5.860 312 HG22 ILE 44 2HG2 ILE 44 -7.603 21.041 -6.669 313 HG23 ILE 44 3HG2 ILE 44 -6.363 20.752 -5.451 314 HD11 ILE 44 1HD1 ILE 44 -10.287 18.579 -5.468 315 HD12 ILE 44 2HD1 ILE 44 -9.406 19.620 -6.601 316 HD13 ILE 44 3HD1 ILE 44 -10.716 20.296 -5.609 317 H GLY 45 H GLY 45 -7.831 19.865 -1.682 318 HA2 GLY 45 1HA GLY 45 -5.382 18.612 -2.366 319 HA3 GLY 45 2HA GLY 45 -5.074 19.699 -1.001 320 H TYR 46 H TYR 46 -4.590 17.915 0.329 321 HA TYR 46 HA TYR 46 -6.999 16.905 1.650 322 HB2 TYR 46 1HB TYR 46 -6.426 14.567 1.486 323 HB3 TYR 46 2HB TYR 46 -6.538 15.210 -0.147 324 HD1 TYR 46 HD1 TYR 46 -4.500 15.453 -1.539 325 HD2 TYR 46 HD2 TYR 46 -4.335 13.874 2.458 326 HE1 TYR 46 HE1 TYR 46 -2.216 14.564 -1.998 327 HE2 TYR 46 HE2 TYR 46 -2.045 12.964 1.968 328 HH TYR 46 HH TYR 46 -0.381 13.510 -1.147 329 H TYR 47 H TYR 47 -6.257 15.692 3.698 330 HA TYR 47 HA TYR 47 -3.572 16.756 4.534 331 HB2 TYR 47 1HB TYR 47 -6.010 16.129 6.191 332 HB3 TYR 47 2HB TYR 47 -4.415 16.357 6.865 333 HD1 TYR 47 HD1 TYR 47 -3.772 18.434 7.649 334 HD2 TYR 47 HD2 TYR 47 -6.882 18.227 4.678 335 HE1 TYR 47 HE1 TYR 47 -4.208 20.865 7.917 336 HE2 TYR 47 HE2 TYR 47 -7.294 20.651 4.959 337 HH TYR 47 HH TYR 47 -6.854 22.521 6.217 338 H ARG 48 H ARG 48 -2.152 15.347 5.362 339 HA ARG 48 HA ARG 48 -2.879 12.457 5.110 340 HB2 ARG 48 1HB ARG 48 -1.106 13.565 3.623 341 HB3 ARG 48 2HB ARG 48 -0.106 13.705 5.061 342 HG2 ARG 48 1HG ARG 48 0.164 11.376 5.242 343 HG3 ARG 48 2HG ARG 48 -1.266 11.051 4.243 344 HD2 ARG 48 1HD ARG 48 -0.068 12.140 2.311 345 HD3 ARG 48 2HD ARG 48 1.395 12.166 3.314 346 HE ARG 48 HE ARG 48 0.476 9.528 3.374 347 HH11 ARG 48 1HH1 ARG 48 1.491 11.751 0.823 348 HH12 ARG 48 2HH1 ARG 48 2.083 10.466 -0.193 349 HH21 ARG 48 1HH2 ARG 48 1.254 7.939 2.029 350 HH22 ARG 48 2HH2 ARG 48 1.942 8.342 0.479 351 H ARG 49 H ARG 49 -2.870 11.262 6.929 352 HA ARG 49 HA ARG 49 -2.130 12.401 9.492 353 HB2 ARG 49 1HB ARG 49 -3.770 10.439 8.894 354 HB3 ARG 49 2HB ARG 49 -2.324 9.429 8.912 355 HG2 ARG 49 1HG ARG 49 -1.903 10.251 11.271 356 HG3 ARG 49 2HG ARG 49 -3.475 11.055 11.205 357 HD2 ARG 49 1HD ARG 49 -2.937 8.077 10.955 358 HD3 ARG 49 2HD ARG 49 -3.670 8.901 12.336 359 HE ARG 49 HE ARG 49 -5.556 9.492 10.673 360 HH11 ARG 49 1HH1 ARG 49 -3.701 6.485 10.438 361 HH12 ARG 49 2HH1 ARG 49 -5.016 5.629 9.667 362 HH21 ARG 49 1HH2 ARG 49 -7.215 8.295 9.754 363 HH22 ARG 49 2HH2 ARG 49 -6.924 6.610 9.308 364 H ALA 50 H ALA 50 -0.148 12.302 10.548 365 HA ALA 50 HA ALA 50 1.985 10.673 9.262 366 HB1 ALA 50 1HB ALA 50 2.044 12.957 8.288 367 HB2 ALA 50 2HB ALA 50 3.498 12.595 9.251 368 HB3 ALA 50 3HB ALA 50 2.217 13.629 9.930 369 H THR 51 H THR 51 3.148 9.584 10.630 370 HA THR 51 HA THR 51 3.804 10.745 13.282 371 HB THR 51 HB THR 51 3.610 8.322 14.188 372 HG1 THR 51 HG1 THR 51 1.984 7.103 13.041 373 HG21 THR 51 1HG2 THR 51 1.260 8.566 14.762 374 HG22 THR 51 2HG2 THR 51 1.015 9.710 13.423 375 HG23 THR 51 3HG2 THR 51 2.044 10.161 14.804 376 H ARG 52 H ARG 52 5.940 10.549 13.669 377 HA ARG 52 HA ARG 52 7.508 8.330 12.592 378 HB2 ARG 52 1HB ARG 52 7.262 10.195 10.730 379 HB3 ARG 52 2HB ARG 52 8.367 11.116 11.747 380 HG2 ARG 52 1HG ARG 52 9.805 10.114 10.231 381 HG3 ARG 52 2HG ARG 52 9.891 8.977 11.590 382 HD2 ARG 52 1HD ARG 52 8.314 7.473 10.488 383 HD3 ARG 52 2HD ARG 52 8.001 8.672 9.219 384 HE ARG 52 HE ARG 52 10.790 8.055 9.277 385 HH11 ARG 52 1HH1 ARG 52 7.731 6.603 8.269 386 HH12 ARG 52 2HH1 ARG 52 8.492 5.642 7.028 387 HH21 ARG 52 1HH2 ARG 52 11.687 6.791 7.672 388 HH22 ARG 52 2HH2 ARG 52 10.686 5.748 6.701 389 H ARG 53 H ARG 53 8.929 7.910 14.253 390 HA ARG 53 HA ARG 53 9.447 10.108 16.199 391 HB2 ARG 53 1HB ARG 53 8.574 7.905 16.966 392 HB3 ARG 53 2HB ARG 53 10.067 7.144 16.424 393 HG2 ARG 53 1HG ARG 53 10.960 7.582 18.442 394 HG3 ARG 53 2HG ARG 53 10.801 9.316 18.118 395 HD2 ARG 53 1HD ARG 53 9.651 8.913 20.173 396 HD3 ARG 53 2HD ARG 53 8.403 9.163 18.937 397 HE ARG 53 HE ARG 53 9.022 6.365 19.221 398 HH11 ARG 53 1HH1 ARG 53 7.221 8.948 20.839 399 HH12 ARG 53 2HH1 ARG 53 6.145 7.826 21.622 400 HH21 ARG 53 1HH2 ARG 53 7.597 5.004 20.257 401 HH22 ARG 53 2HH2 ARG 53 6.346 5.645 21.285 402 H ILE 54 H ILE 54 11.392 10.922 16.534 403 HA ILE 54 HA ILE 54 13.611 9.842 14.899 404 HB ILE 54 HB ILE 54 14.217 11.921 14.114 405 HG12 ILE 54 1HG1 ILE 54 14.407 13.100 16.225 406 HG13 ILE 54 2HG1 ILE 54 13.675 14.095 14.989 407 HG21 ILE 54 1HG2 ILE 54 12.298 13.040 13.134 408 HG22 ILE 54 2HG2 ILE 54 11.200 12.325 14.334 409 HG23 ILE 54 3HG2 ILE 54 12.033 11.286 13.147 410 HD11 ILE 54 1HD1 ILE 54 12.654 14.520 17.103 411 HD12 ILE 54 2HD1 ILE 54 12.294 12.802 17.322 412 HD13 ILE 54 3HD1 ILE 54 11.468 13.734 16.041 413 H ARG 55 H ARG 55 15.701 10.793 15.790 414 HA ARG 55 HA ARG 55 15.628 11.102 18.762 415 HB2 ARG 55 1HB ARG 55 16.175 8.718 18.216 416 HB3 ARG 55 2HB ARG 55 17.519 9.275 17.214 417 HG2 ARG 55 1HG ARG 55 17.698 10.437 19.875 418 HG3 ARG 55 2HG ARG 55 17.554 8.675 19.983 419 HD2 ARG 55 1HD ARG 55 19.557 10.116 18.199 420 HD3 ARG 55 2HD ARG 55 19.922 9.538 19.836 421 HE ARG 55 HE ARG 55 18.868 7.354 18.392 422 HH11 ARG 55 1HH1 ARG 55 21.760 9.371 18.300 423 HH12 ARG 55 2HH1 ARG 55 22.744 8.096 17.631 424 HH21 ARG 55 1HH2 ARG 55 20.184 5.772 17.535 425 HH22 ARG 55 2HH2 ARG 55 21.861 6.100 17.198 426 H GLY 56 H GLY 56 16.455 13.084 19.072 427 HA2 GLY 56 1HA GLY 56 18.100 14.349 17.043 428 HA3 GLY 56 2HA GLY 56 17.679 14.998 18.642 429 H GLY 57 H GLY 57 20.214 15.350 17.614 430 HA2 GLY 57 1HA GLY 57 22.018 13.260 18.531 431 HA3 GLY 57 2HA GLY 57 22.468 14.895 17.989 432 H ASP 58 H ASP 58 20.500 16.102 19.797 433 HA ASP 58 HA ASP 58 22.149 16.182 22.234 434 HB2 ASP 58 1HB ASP 58 21.237 18.191 20.898 435 HB3 ASP 58 2HB ASP 58 19.660 17.777 21.576 436 H GLY 59 H GLY 59 20.061 14.035 21.254 437 HA2 GLY 59 1HA GLY 59 19.171 12.343 22.572 438 HA3 GLY 59 2HA GLY 59 19.272 13.387 23.987 439 H LYS 60 H LYS 60 17.705 15.392 22.057 440 HA LYS 60 HA LYS 60 15.201 14.911 23.307 441 HB2 LYS 60 1HB LYS 60 16.148 16.719 21.083 442 HB3 LYS 60 2HB LYS 60 14.432 16.625 21.524 443 HG2 LYS 60 1HG LYS 60 14.908 18.224 23.037 444 HG3 LYS 60 2HG LYS 60 15.562 16.880 23.981 445 HD2 LYS 60 1HD LYS 60 17.187 18.579 24.066 446 HD3 LYS 60 2HD LYS 60 17.815 17.356 22.957 447 HE2 LYS 60 1HE LYS 60 17.806 18.768 21.204 448 HE3 LYS 60 2HE LYS 60 16.208 19.439 21.626 449 HZ1 LYS 60 1HZ LYS 60 17.970 21.102 21.865 450 HZ2 LYS 60 2HZ LYS 60 18.773 20.153 22.954 451 HZ3 LYS 60 3HZ LYS 60 17.294 20.781 23.335 452 H MET 61 H MET 61 13.523 13.833 22.815 453 HA MET 61 HA MET 61 13.575 12.087 20.436 454 HB2 MET 61 1HB MET 61 11.849 12.162 22.939 455 HB3 MET 61 2HB MET 61 11.610 11.012 21.624 456 HG2 MET 61 1HG MET 61 14.079 11.256 23.360 457 HG3 MET 61 2HG MET 61 12.870 9.962 23.399 458 HE1 MET 61 1HE MET 61 12.432 8.287 21.390 459 HE2 MET 61 2HE MET 61 13.532 8.047 20.012 460 HE3 MET 61 3HE MET 61 12.442 9.450 20.034 461 H LYS 62 H LYS 62 10.967 11.605 19.953 462 HA LYS 62 HA LYS 62 10.133 14.134 18.689 463 HB2 LYS 62 1HB LYS 62 10.217 12.145 17.258 464 HB3 LYS 62 2HB LYS 62 9.167 11.269 18.359 465 HG2 LYS 62 1HG LYS 62 7.907 11.997 16.422 466 HG3 LYS 62 2HG LYS 62 7.331 12.804 17.860 467 HD2 LYS 62 1HD LYS 62 8.985 14.711 17.174 468 HD3 LYS 62 2HD LYS 62 8.950 13.930 15.587 469 HE2 LYS 62 1HE LYS 62 7.315 15.675 15.651 470 HE3 LYS 62 2HE LYS 62 6.463 14.116 15.647 471 HZ1 LYS 62 1HZ LYS 62 5.585 15.731 17.335 472 HZ2 LYS 62 2HZ LYS 62 7.034 15.687 18.125 473 HZ3 LYS 62 3HZ LYS 62 6.109 14.331 18.035 474 H ASP 63 H ASP 63 8.658 11.551 20.552 475 HA ASP 63 HA ASP 63 6.553 11.338 21.448 476 HB2 ASP 63 1HB ASP 63 6.268 12.785 23.442 477 HB3 ASP 63 2HB ASP 63 7.844 12.005 23.304 478 H LEU 64 H LEU 64 5.222 13.916 22.560 479 HA LEU 64 HA LEU 64 3.365 15.094 22.062 480 HB2 LEU 64 1HB LEU 64 5.218 15.653 19.947 481 HB3 LEU 64 2HB LEU 64 3.596 15.661 19.284 482 HG LEU 64 HG LEU 64 4.350 17.892 19.894 483 HD11 LEU 64 1HD1 LEU 64 2.442 18.639 21.185 484 HD12 LEU 64 2HD1 LEU 64 2.159 17.000 21.805 485 HD13 LEU 64 3HD1 LEU 64 1.931 17.355 20.073 486 HD21 LEU 64 1HD2 LEU 64 4.802 18.576 22.164 487 HD22 LEU 64 2HD2 LEU 64 5.866 17.211 21.765 488 HD23 LEU 64 3HD2 LEU 64 4.437 16.953 22.787 489 H SER 65 H SER 65 1.418 15.359 20.588 490 HA SER 65 HA SER 65 0.194 12.767 20.285 491 HB2 SER 65 1HB SER 65 -1.249 14.995 19.104 492 HB3 SER 65 2HB SER 65 -1.642 14.041 20.551 493 HG SER 65 HG SER 65 -1.280 16.220 21.082 494 HA PRO 66 HA PRO 66 0.782 12.106 15.970 495 HB2 PRO 66 1HB PRO 66 -1.668 11.421 14.938 496 HB3 PRO 66 2HB PRO 66 -0.740 10.337 16.024 497 HG2 PRO 66 1HG PRO 66 -2.942 12.268 16.730 498 HG3 PRO 66 2HG PRO 66 -2.803 10.523 17.130 499 HD2 PRO 66 1HD PRO 66 -2.081 12.389 18.904 500 HD3 PRO 66 2HD PRO 66 -1.079 10.911 18.693 501 H ARG 67 H ARG 67 0.643 13.125 13.895 502 HA ARG 67 HA ARG 67 -0.871 15.691 13.949 503 HB2 ARG 67 1HB ARG 67 1.954 15.089 13.034 504 HB3 ARG 67 2HB ARG 67 1.101 16.610 12.712 505 HG2 ARG 67 1HG ARG 67 0.736 16.881 15.120 506 HG3 ARG 67 2HG ARG 67 1.719 15.444 15.421 507 HD2 ARG 67 1HD ARG 67 3.637 16.513 15.028 508 HD3 ARG 67 2HD ARG 67 2.934 17.507 13.735 509 HE ARG 67 HE ARG 67 1.737 18.266 16.203 510 HH11 ARG 67 1HH1 ARG 67 4.877 18.607 14.608 511 HH12 ARG 67 2HH1 ARG 67 5.246 20.084 15.487 512 HH21 ARG 67 1HH2 ARG 67 2.297 20.095 17.274 513 HH22 ARG 67 2HH2 ARG 67 3.824 20.899 16.968 514 H TRP 68 H TRP 68 -1.080 16.771 11.902 515 HA TRP 68 HA TRP 68 -1.366 14.900 9.585 516 HB2 TRP 68 1HB TRP 68 -3.308 16.990 10.617 517 HB3 TRP 68 2HB TRP 68 -3.391 16.304 8.990 518 HD1 TRP 68 HD1 TRP 68 -3.684 15.179 12.675 519 HE1 TRP 68 HE1 TRP 68 -5.168 13.122 12.821 520 HE3 TRP 68 HE3 TRP 68 -4.330 14.422 7.663 521 HZ2 TRP 68 HZ2 TRP 68 -6.429 11.373 10.995 522 HZ3 TRP 68 HZ3 TRP 68 -5.764 12.517 6.914 523 HH2 TRP 68 HH2 TRP 68 -6.813 11.000 8.602 524 H TYR 69 H TYR 69 -0.919 15.871 7.588 525 HA TYR 69 HA TYR 69 0.151 18.681 7.692 526 HB2 TYR 69 1HB TYR 69 1.356 16.180 6.440 527 HB3 TYR 69 2HB TYR 69 1.868 17.813 6.036 528 HD1 TYR 69 HD1 TYR 69 1.484 15.613 9.136 529 HD2 TYR 69 HD2 TYR 69 3.700 18.747 7.163 530 HE1 TYR 69 HE1 TYR 69 3.185 15.557 10.935 531 HE2 TYR 69 HE2 TYR 69 5.389 18.681 8.996 532 HH TYR 69 HH TYR 69 5.141 16.374 11.715 533 H PHE 70 H PHE 70 -0.304 19.856 5.744 534 HA PHE 70 HA PHE 70 -2.507 18.691 4.163 535 HB2 PHE 70 1HB PHE 70 -2.736 20.972 5.087 536 HB3 PHE 70 2HB PHE 70 -1.313 21.488 4.174 537 HD1 PHE 70 HD1 PHE 70 -4.688 19.904 3.639 538 HD2 PHE 70 HD2 PHE 70 -1.620 22.454 2.038 539 HE1 PHE 70 HE1 PHE 70 -6.189 20.501 1.736 540 HE2 PHE 70 HE2 PHE 70 -3.108 23.045 0.120 541 HZ PHE 70 HZ PHE 70 -5.411 22.088 -0.017 542 H TYR 71 H TYR 71 -2.393 18.197 2.044 543 HA TYR 71 HA TYR 71 0.164 18.724 0.610 544 HB2 TYR 71 1HB TYR 71 -0.913 16.195 1.651 545 HB3 TYR 71 2HB TYR 71 -0.489 16.138 -0.079 546 HD1 TYR 71 HD1 TYR 71 0.834 16.765 3.357 547 HD2 TYR 71 HD2 TYR 71 1.835 16.152 -0.780 548 HE1 TYR 71 HE1 TYR 71 3.232 16.475 3.970 549 HE2 TYR 71 HE2 TYR 71 4.225 15.841 -0.156 550 HH TYR 71 HH TYR 71 5.747 15.721 1.536 551 H TYR 72 H TYR 72 -0.101 18.895 -1.578 552 HA TYR 72 HA TYR 72 -2.737 19.673 -2.442 553 HB2 TYR 72 1HB TYR 72 -0.063 19.515 -3.837 554 HB3 TYR 72 2HB TYR 72 -1.541 20.182 -4.556 555 HD1 TYR 72 HD1 TYR 72 1.003 20.684 -1.865 556 HD2 TYR 72 HD2 TYR 72 -2.485 22.305 -3.803 557 HE1 TYR 72 HE1 TYR 72 1.318 22.852 -0.674 558 HE2 TYR 72 HE2 TYR 72 -2.110 24.467 -2.650 559 HH TYR 72 HH TYR 72 -0.682 25.703 -1.351 560 H LEU 73 H LEU 73 -3.762 18.925 -4.434 561 HA LEU 73 HA LEU 73 -4.455 16.225 -4.244 562 HB2 LEU 73 1HB LEU 73 -5.430 18.396 -5.490 563 HB3 LEU 73 2HB LEU 73 -4.683 17.625 -6.875 564 HG LEU 73 HG LEU 73 -6.892 16.459 -5.156 565 HD11 LEU 73 1HD1 LEU 73 -8.329 16.931 -7.006 566 HD12 LEU 73 2HD1 LEU 73 -6.963 17.352 -8.052 567 HD13 LEU 73 3HD1 LEU 73 -7.406 18.412 -6.705 568 HD21 LEU 73 1HD2 LEU 73 -7.051 14.786 -7.056 569 HD22 LEU 73 2HD2 LEU 73 -5.649 14.600 -5.995 570 HD23 LEU 73 3HD2 LEU 73 -5.455 15.358 -7.591 571 H GLY 74 H GLY 74 -3.626 14.357 -4.957 572 HA2 GLY 74 1HA GLY 74 -2.492 12.863 -6.278 573 HA3 GLY 74 2HA GLY 74 -2.365 14.128 -7.502 574 H THR 75 H THR 75 -0.943 14.370 -4.216 575 HA THR 75 HA THR 75 1.661 14.764 -5.530 576 HB THR 75 HB THR 75 2.307 15.002 -2.962 577 HG1 THR 75 HG1 THR 75 -0.401 15.772 -2.777 578 HG21 THR 75 1HG2 THR 75 2.376 16.912 -4.404 579 HG22 THR 75 2HG2 THR 75 1.426 17.364 -2.975 580 HG23 THR 75 3HG2 THR 75 0.598 16.987 -4.504 581 H GLY 76 H GLY 76 3.492 13.570 -5.195 582 HA2 GLY 76 1HA GLY 76 4.709 11.792 -4.112 583 HA3 GLY 76 2HA GLY 76 3.191 10.954 -3.753 584 HA PRO 77 HA PRO 77 5.088 10.202 -8.146 585 HB2 PRO 77 1HB PRO 77 6.732 8.013 -7.843 586 HB3 PRO 77 2HB PRO 77 7.277 9.701 -7.672 587 HG2 PRO 77 1HG PRO 77 6.455 7.797 -5.501 588 HG3 PRO 77 2HG PRO 77 7.946 8.787 -5.629 589 HD2 PRO 77 1HD PRO 77 5.866 9.634 -4.167 590 HD3 PRO 77 2HD PRO 77 6.788 10.790 -5.192 591 H GLU 78 H GLU 78 4.459 7.520 -5.869 592 HA GLU 78 HA GLU 78 2.899 6.163 -8.033 593 HB2 GLU 78 1HB GLU 78 3.238 4.092 -6.806 594 HB3 GLU 78 2HB GLU 78 4.784 4.855 -7.186 595 HG2 GLU 78 1HG GLU 78 5.024 5.636 -4.887 596 HG3 GLU 78 2HG GLU 78 3.420 5.015 -4.470 597 H ALA 79 H ALA 79 2.040 8.417 -6.340 598 HA ALA 79 HA ALA 79 0.485 7.533 -4.158 599 HB1 ALA 79 1HB ALA 79 0.040 9.895 -6.025 600 HB2 ALA 79 2HB ALA 79 1.044 9.872 -4.563 601 HB3 ALA 79 3HB ALA 79 -0.716 9.680 -4.426 602 H GLY 80 H GLY 80 -0.445 8.039 -7.577 603 HA2 GLY 80 1HA GLY 80 -2.259 7.271 -8.781 604 HA3 GLY 80 2HA GLY 80 -2.266 5.891 -7.668 605 H LEU 81 H LEU 81 -2.775 9.265 -6.644 606 HA LEU 81 HA LEU 81 -5.442 8.401 -5.713 607 HB2 LEU 81 1HB LEU 81 -3.320 10.251 -4.662 608 HB3 LEU 81 2HB LEU 81 -4.983 10.438 -4.183 609 HG LEU 81 HG LEU 81 -3.298 7.994 -3.665 610 HD11 LEU 81 1HD1 LEU 81 -3.420 8.779 -1.321 611 HD12 LEU 81 2HD1 LEU 81 -4.326 10.208 -1.844 612 HD13 LEU 81 3HD1 LEU 81 -2.642 9.979 -2.365 613 HD21 LEU 81 1HD2 LEU 81 -5.203 7.278 -2.231 614 HD22 LEU 81 2HD2 LEU 81 -5.653 7.357 -3.948 615 HD23 LEU 81 3HD2 LEU 81 -6.152 8.645 -2.828 616 HA PRO 82 HA PRO 82 -7.012 11.897 -8.132 617 HB2 PRO 82 1HB PRO 82 -9.443 10.781 -8.614 618 HB3 PRO 82 2HB PRO 82 -8.002 10.300 -9.571 619 HG2 PRO 82 1HG PRO 82 -9.289 8.919 -7.237 620 HG3 PRO 82 2HG PRO 82 -8.681 8.226 -8.761 621 HD2 PRO 82 1HD PRO 82 -7.306 8.181 -6.435 622 HD3 PRO 82 2HD PRO 82 -6.540 8.142 -8.040 623 H TYR 83 H TYR 83 -8.977 13.232 -7.467 624 HA TYR 83 HA TYR 83 -9.058 13.514 -4.636 625 HB2 TYR 83 1HB TYR 83 -9.538 15.279 -6.340 626 HB3 TYR 83 2HB TYR 83 -11.072 14.481 -6.682 627 HD1 TYR 83 HD1 TYR 83 -12.932 14.600 -5.060 628 HD2 TYR 83 HD2 TYR 83 -9.146 16.457 -4.216 629 HE1 TYR 83 HE1 TYR 83 -13.960 15.852 -3.164 630 HE2 TYR 83 HE2 TYR 83 -10.182 17.715 -2.343 631 HH TYR 83 HH TYR 83 -13.634 17.334 -1.476 632 H GLY 84 H GLY 84 -10.308 12.610 -3.100 633 HA2 GLY 84 1HA GLY 84 -12.271 11.676 -2.224 634 HA3 GLY 84 2HA GLY 84 -12.849 11.326 -3.853 635 H ALA 85 H ALA 85 -9.804 10.109 -4.012 636 HA ALA 85 HA ALA 85 -10.723 7.414 -3.786 637 HB1 ALA 85 1HB ALA 85 -8.959 7.784 -5.249 638 HB2 ALA 85 2HB ALA 85 -8.225 6.900 -3.898 639 HB3 ALA 85 3HB ALA 85 -7.999 8.663 -4.041 640 H ASN 86 H ASN 86 -10.782 5.976 -2.197 641 HA ASN 86 HA ASN 86 -10.364 6.877 0.518 642 HB2 ASN 86 1HB ASN 86 -12.155 5.263 -0.297 643 HB3 ASN 86 2HB ASN 86 -10.883 4.044 -0.469 644 HD21 ASN 86 1HD2 ASN 86 -12.699 4.294 2.976 645 HD22 ASN 86 2HD2 ASN 86 -13.334 4.711 1.402 646 H LYS 87 H LYS 87 -8.590 6.753 1.724 647 HA LYS 87 HA LYS 87 -6.754 4.493 1.499 648 HB2 LYS 87 1HB LYS 87 -5.912 6.122 -0.209 649 HB3 LYS 87 2HB LYS 87 -5.768 7.328 1.043 650 HG2 LYS 87 1HG LYS 87 -3.950 6.287 2.078 651 HG3 LYS 87 2HG LYS 87 -4.353 4.684 1.404 652 HD2 LYS 87 1HD LYS 87 -3.385 7.017 -0.227 653 HD3 LYS 87 2HD LYS 87 -2.309 5.791 0.438 654 HE2 LYS 87 1HE LYS 87 -3.458 4.029 -0.874 655 HE3 LYS 87 2HE LYS 87 -4.608 5.213 -1.507 656 HZ1 LYS 87 1HZ LYS 87 -1.690 5.225 -2.074 657 HZ2 LYS 87 2HZ LYS 87 -2.779 6.313 -2.667 658 HZ3 LYS 87 3HZ LYS 87 -2.866 4.734 -3.116 659 H ASP 88 H ASP 88 -5.519 4.393 3.494 660 HA ASP 88 HA ASP 88 -7.025 5.541 5.685 661 HB2 ASP 88 1HB ASP 88 -5.898 3.324 5.856 662 HB3 ASP 88 2HB ASP 88 -4.330 4.148 5.782 663 H GLY 89 H GLY 89 -6.621 7.262 6.928 664 HA2 GLY 89 1HA GLY 89 -5.518 9.108 7.767 665 HA3 GLY 89 2HA GLY 89 -4.017 8.494 7.057 666 H ILE 90 H ILE 90 -6.750 8.908 4.918 667 HA ILE 90 HA ILE 90 -5.563 11.483 3.984 668 HB ILE 90 HB ILE 90 -6.717 9.257 2.213 669 HG12 ILE 90 1HG1 ILE 90 -4.505 8.654 3.098 670 HG13 ILE 90 2HG1 ILE 90 -4.469 8.947 1.366 671 HG21 ILE 90 1HG2 ILE 90 -5.784 10.758 0.354 672 HG22 ILE 90 2HG2 ILE 90 -5.578 12.027 1.589 673 HG23 ILE 90 3HG2 ILE 90 -7.196 11.404 1.211 674 HD11 ILE 90 1HD1 ILE 90 -3.252 10.893 1.562 675 HD12 ILE 90 2HD1 ILE 90 -2.547 9.804 2.775 676 HD13 ILE 90 3HD1 ILE 90 -3.656 11.113 3.281 677 H ILE 91 H ILE 91 -6.892 13.083 4.116 678 HA ILE 91 HA ILE 91 -9.807 12.529 3.651 679 HB ILE 91 HB ILE 91 -10.326 14.534 5.076 680 HG12 ILE 91 1HG1 ILE 91 -7.926 14.328 6.731 681 HG13 ILE 91 2HG1 ILE 91 -7.537 14.868 5.117 682 HG21 ILE 91 1HG2 ILE 91 -10.591 12.160 5.853 683 HG22 ILE 91 2HG2 ILE 91 -10.330 13.339 7.155 684 HG23 ILE 91 3HG2 ILE 91 -8.995 12.279 6.629 685 HD11 ILE 91 1HD1 ILE 91 -8.026 16.771 6.598 686 HD12 ILE 91 2HD1 ILE 91 -9.667 16.146 6.863 687 HD13 ILE 91 3HD1 ILE 91 -9.156 16.681 5.238 688 H TRP 92 H TRP 92 -10.384 13.276 1.760 689 HA TRP 92 HA TRP 92 -8.864 15.371 0.442 690 HB2 TRP 92 1HB TRP 92 -11.422 13.910 -0.285 691 HB3 TRP 92 2HB TRP 92 -10.554 15.027 -1.345 692 HD1 TRP 92 HD1 TRP 92 -10.461 11.489 -0.062 693 HE1 TRP 92 HE1 TRP 92 -8.587 10.169 -1.139 694 HE3 TRP 92 HE3 TRP 92 -8.077 15.419 -2.308 695 HZ2 TRP 92 HZ2 TRP 92 -6.343 10.747 -2.763 696 HZ3 TRP 92 HZ3 TRP 92 -6.019 14.947 -3.646 697 HH2 TRP 92 HH2 TRP 92 -5.163 12.610 -3.882 698 H VAL 93 H VAL 93 -9.295 17.476 0.254 699 HA VAL 93 HA VAL 93 -11.959 18.498 1.098 700 HB VAL 93 HB VAL 93 -10.600 20.382 2.306 701 HG11 VAL 93 1HG1 VAL 93 -10.834 17.613 3.534 702 HG12 VAL 93 2HG1 VAL 93 -12.098 18.866 3.484 703 HG13 VAL 93 3HG1 VAL 93 -10.621 19.133 4.429 704 HG21 VAL 93 1HG2 VAL 93 -8.456 19.811 3.220 705 HG22 VAL 93 2HG2 VAL 93 -8.349 19.426 1.492 706 HG23 VAL 93 3HG2 VAL 93 -8.580 18.124 2.679 707 H ALA 94 H ALA 94 -12.445 20.549 0.179 708 HA ALA 94 HA ALA 94 -10.542 21.818 -1.644 709 HB1 ALA 94 1HB ALA 94 -11.485 19.855 -2.976 710 HB2 ALA 94 2HB ALA 94 -11.847 21.453 -3.667 711 HB3 ALA 94 3HB ALA 94 -13.098 20.566 -2.761 712 H THR 95 H THR 95 -11.645 23.754 -2.610 713 HA THR 95 HA THR 95 -14.140 24.509 -1.190 714 HB THR 95 HB THR 95 -12.063 25.595 -0.120 715 HG1 THR 95 HG1 THR 95 -14.148 26.448 0.111 716 HG21 THR 95 1HG2 THR 95 -11.069 27.486 -1.272 717 HG22 THR 95 2HG2 THR 95 -12.126 27.252 -2.682 718 HG23 THR 95 3HG2 THR 95 -10.875 26.047 -2.295 719 H GLU 96 H GLU 96 -15.022 26.543 -2.439 720 HA GLU 96 HA GLU 96 -15.432 25.658 -5.126 721 HB2 GLU 96 1HB GLU 96 -17.052 26.880 -3.625 722 HB3 GLU 96 2HB GLU 96 -16.133 28.359 -3.930 723 HG2 GLU 96 1HG GLU 96 -16.688 28.302 -6.269 724 HG3 GLU 96 2HG GLU 96 -17.331 26.655 -6.130 725 H GLY 97 H GLY 97 -14.642 26.368 -7.027 726 HA2 GLY 97 1HA GLY 97 -13.557 27.888 -8.482 727 HA3 GLY 97 2HA GLY 97 -12.820 28.697 -7.092 728 H ALA 98 H ALA 98 -12.356 25.592 -6.333 729 HA ALA 98 HA ALA 98 -9.616 25.636 -7.353 730 HB1 ALA 98 1HB ALA 98 -9.226 23.887 -5.807 731 HB2 ALA 98 2HB ALA 98 -10.971 23.549 -5.634 732 HB3 ALA 98 3HB ALA 98 -10.285 25.063 -4.994 733 H LEU 99 H LEU 99 -8.633 24.010 -8.657 734 HA LEU 99 HA LEU 99 -10.548 22.726 -10.520 735 HB2 LEU 99 1HB LEU 99 -7.544 23.098 -10.547 736 HB3 LEU 99 2HB LEU 99 -8.404 22.137 -11.737 737 HG LEU 99 HG LEU 99 -8.692 25.123 -11.334 738 HD11 LEU 99 1HD1 LEU 99 -7.566 25.193 -13.527 739 HD12 LEU 99 2HD1 LEU 99 -7.473 23.410 -13.545 740 HD13 LEU 99 3HD1 LEU 99 -6.564 24.349 -12.333 741 HD21 LEU 99 1HD2 LEU 99 -10.016 23.265 -13.357 742 HD22 LEU 99 2HD2 LEU 99 -10.014 25.043 -13.443 743 HD23 LEU 99 3HD2 LEU 99 -10.833 24.231 -12.100 744 H ASN 100 H ASN 100 -10.755 20.595 -10.897 745 HA ASN 100 HA ASN 100 -9.636 18.803 -8.827 746 HB2 ASN 100 1HB ASN 100 -12.071 18.768 -9.408 747 HB3 ASN 100 2HB ASN 100 -11.641 18.195 -11.028 748 HD21 ASN 100 1HD2 ASN 100 -12.209 15.011 -9.659 749 HD22 ASN 100 2HD2 ASN 100 -12.839 16.289 -10.668 750 H THR 101 H THR 101 -7.454 19.286 -9.922 751 HA THR 101 HA THR 101 -6.910 17.024 -11.774 752 HB THR 101 HB THR 101 -7.154 19.472 -12.903 753 HG1 THR 101 HG1 THR 101 -5.771 18.711 -14.507 754 HG21 THR 101 1HG2 THR 101 -5.032 20.601 -13.146 755 HG22 THR 101 2HG2 THR 101 -4.211 19.373 -12.149 756 HG23 THR 101 3HG2 THR 101 -5.410 20.480 -11.415 757 HA PRO 102 HA PRO 102 -3.590 16.687 -8.844 758 HB2 PRO 102 1HB PRO 102 -1.589 15.529 -10.264 759 HB3 PRO 102 2HB PRO 102 -3.087 14.638 -9.831 760 HG2 PRO 102 1HG PRO 102 -2.357 16.036 -12.394 761 HG3 PRO 102 2HG PRO 102 -3.011 14.383 -12.158 762 HD2 PRO 102 1HD PRO 102 -4.591 16.478 -12.820 763 HD3 PRO 102 2HD PRO 102 -5.162 15.180 -11.719 764 H LYS 103 H LYS 103 -1.650 17.636 -8.079 765 HA LYS 103 HA LYS 103 -0.066 19.306 -9.935 766 HB2 LYS 103 1HB LYS 103 -0.243 21.212 -8.203 767 HB3 LYS 103 2HB LYS 103 -1.528 21.005 -9.376 768 HG2 LYS 103 1HG LYS 103 -1.893 19.603 -6.762 769 HG3 LYS 103 2HG LYS 103 -1.978 21.358 -6.741 770 HD2 LYS 103 1HD LYS 103 -3.485 20.168 -8.966 771 HD3 LYS 103 2HD LYS 103 -4.045 19.630 -7.386 772 HE2 LYS 103 1HE LYS 103 -5.331 21.530 -8.114 773 HE3 LYS 103 2HE LYS 103 -4.366 21.956 -6.688 774 HZ1 LYS 103 1HZ LYS 103 -4.391 23.606 -8.534 775 HZ2 LYS 103 2HZ LYS 103 -3.469 22.564 -9.427 776 HZ3 LYS 103 3HZ LYS 103 -2.894 23.167 -7.994 777 H ASP 104 H ASP 104 0.977 17.105 -9.080 778 HA ASP 104 HA ASP 104 2.142 16.978 -6.508 779 HB2 ASP 104 1HB ASP 104 2.113 15.143 -8.214 780 HB3 ASP 104 2HB ASP 104 3.337 16.031 -9.133 781 H HIS 105 H HIS 105 3.076 18.804 -9.351 782 HA HIS 105 HA HIS 105 5.761 19.356 -8.642 783 HB2 HIS 105 1HB HIS 105 5.635 21.115 -10.319 784 HB3 HIS 105 2HB HIS 105 4.848 19.644 -10.903 785 HD1 HIS 105 HD1 HIS 105 2.241 19.753 -11.297 786 HD2 HIS 105 HD2 HIS 105 3.947 23.299 -9.921 787 HE1 HIS 105 HE1 HIS 105 0.483 21.558 -11.530 788 H ILE 106 H ILE 106 2.887 20.594 -7.159 789 HA ILE 106 HA ILE 106 4.256 23.065 -6.264 790 HB ILE 106 HB ILE 106 1.487 21.931 -5.606 791 HG12 ILE 106 1HG1 ILE 106 2.337 24.281 -7.360 792 HG13 ILE 106 2HG1 ILE 106 1.890 22.686 -7.963 793 HG21 ILE 106 1HG2 ILE 106 1.002 24.173 -4.613 794 HG22 ILE 106 2HG2 ILE 106 2.691 24.666 -4.893 795 HG23 ILE 106 3HG2 ILE 106 2.309 23.367 -3.739 796 HD11 ILE 106 1HD1 ILE 106 -0.063 23.861 -8.277 797 HD12 ILE 106 2HD1 ILE 106 0.109 24.814 -6.776 798 HD13 ILE 106 3HD1 ILE 106 -0.349 23.081 -6.704 799 H GLY 107 H GLY 107 3.595 19.768 -5.187 800 HA2 GLY 107 1HA GLY 107 4.059 20.318 -2.381 801 HA3 GLY 107 2HA GLY 107 3.945 18.734 -3.150 802 H THR 108 H THR 108 6.268 20.521 -4.772 803 HA THR 108 HA THR 108 8.401 18.908 -3.594 804 HB THR 108 HB THR 108 8.123 19.267 -6.077 805 HG1 THR 108 HG1 THR 108 10.532 20.078 -4.807 806 HG21 THR 108 1HG2 THR 108 7.587 21.779 -5.850 807 HG22 THR 108 2HG2 THR 108 8.716 21.310 -7.134 808 HG23 THR 108 3HG2 THR 108 9.335 22.018 -5.629 809 H ARG 109 H ARG 109 7.183 21.312 -2.039 810 HA ARG 109 HA ARG 109 9.112 23.395 -1.894 811 HB2 ARG 109 1HB ARG 109 6.900 23.427 -0.682 812 HB3 ARG 109 2HB ARG 109 7.542 22.216 0.436 813 HG2 ARG 109 1HG ARG 109 9.403 23.860 1.008 814 HG3 ARG 109 2HG ARG 109 8.548 25.065 0.038 815 HD2 ARG 109 1HD ARG 109 7.999 25.412 2.351 816 HD3 ARG 109 2HD ARG 109 6.576 24.781 1.526 817 HE ARG 109 HE ARG 109 6.671 22.846 2.800 818 HH11 ARG 109 1HH1 ARG 109 9.667 24.661 3.379 819 HH12 ARG 109 2HH1 ARG 109 10.087 23.666 4.737 820 HH21 ARG 109 1HH2 ARG 109 7.266 21.684 4.532 821 HH22 ARG 109 2HH2 ARG 109 8.774 21.994 5.369 822 H ASN 110 H ASN 110 11.185 23.432 -1.212 823 HA ASN 110 HA ASN 110 12.190 20.933 0.021 824 HB2 ASN 110 1HB ASN 110 13.267 22.720 -1.881 825 HB3 ASN 110 2HB ASN 110 14.193 22.927 -0.382 826 HD21 ASN 110 1HD2 ASN 110 14.934 19.776 -2.638 827 HD22 ASN 110 2HD2 ASN 110 13.974 21.134 -3.169 828 HA PRO 111 HA PRO 111 12.009 23.246 3.806 829 HB2 PRO 111 1HB PRO 111 13.096 21.448 5.532 830 HB3 PRO 111 2HB PRO 111 11.480 21.196 4.793 831 HG2 PRO 111 1HG PRO 111 14.143 20.098 3.928 832 HG3 PRO 111 2HG PRO 111 12.600 19.224 4.202 833 HD2 PRO 111 1HD PRO 111 13.435 20.003 1.742 834 HD3 PRO 111 2HD PRO 111 11.703 20.005 2.176 835 H ALA 112 H ALA 112 14.908 22.114 2.284 836 HA ALA 112 HA ALA 112 16.753 23.395 4.135 837 HB1 ALA 112 1HB ALA 112 17.120 22.395 1.268 838 HB2 ALA 112 2HB ALA 112 17.416 21.445 2.747 839 HB3 ALA 112 3HB ALA 112 18.421 22.868 2.382 840 H ASN 113 H ASN 113 14.816 24.334 1.399 841 HA ASN 113 HA ASN 113 16.445 26.789 0.985 842 HB2 ASN 113 1HB ASN 113 14.278 25.509 -0.720 843 HB3 ASN 113 2HB ASN 113 15.162 26.981 -1.130 844 HD21 ASN 113 1HD2 ASN 113 16.669 23.922 -2.732 845 HD22 ASN 113 2HD2 ASN 113 15.028 24.508 -2.608 846 H ASN 114 H ASN 114 13.270 25.735 2.112 847 HA ASN 114 HA ASN 114 12.596 28.567 2.651 848 HB2 ASN 114 1HB ASN 114 11.609 28.230 0.489 849 HB3 ASN 114 2HB ASN 114 10.889 26.687 0.996 850 HD21 ASN 114 1HD2 ASN 114 8.056 28.158 2.286 851 HD22 ASN 114 2HD2 ASN 114 8.873 26.789 1.573 852 H ALA 115 H ALA 115 11.063 28.897 4.252 853 HA ALA 115 HA ALA 115 10.744 26.607 6.101 854 HB1 ALA 115 1HB ALA 115 10.164 29.581 6.452 855 HB2 ALA 115 2HB ALA 115 11.646 28.740 6.972 856 HB3 ALA 115 3HB ALA 115 10.083 28.347 7.729 857 H ALA 116 H ALA 116 8.757 25.925 6.889 858 HA ALA 116 HA ALA 116 6.488 26.169 5.112 859 HB1 ALA 116 1HB ALA 116 7.007 24.075 6.352 860 HB2 ALA 116 2HB ALA 116 5.375 24.677 6.700 861 HB3 ALA 116 3HB ALA 116 6.679 24.919 7.885 862 H ILE 117 H ILE 117 4.406 26.962 5.668 863 HA ILE 117 HA ILE 117 4.546 29.412 7.356 864 HB ILE 117 HB ILE 117 2.376 28.455 5.430 865 HG12 ILE 117 1HG1 ILE 117 3.880 30.693 4.422 866 HG13 ILE 117 2HG1 ILE 117 5.000 29.384 4.802 867 HG21 ILE 117 1HG2 ILE 117 2.918 31.211 6.643 868 HG22 ILE 117 2HG2 ILE 117 1.528 30.150 6.995 869 HG23 ILE 117 3HG2 ILE 117 1.704 30.870 5.386 870 HD11 ILE 117 1HD1 ILE 117 2.531 29.145 3.038 871 HD12 ILE 117 2HD1 ILE 117 3.664 27.828 3.406 872 HD13 ILE 117 3HD1 ILE 117 4.215 29.239 2.474 873 H VAL 118 H VAL 118 3.169 29.710 9.164 874 HA VAL 118 HA VAL 118 2.154 27.440 10.556 875 HB VAL 118 HB VAL 118 1.319 30.381 10.775 876 HG11 VAL 118 1HG1 VAL 118 0.581 29.767 13.076 877 HG12 VAL 118 2HG1 VAL 118 0.917 28.060 12.719 878 HG13 VAL 118 3HG1 VAL 118 -0.359 28.925 11.828 879 HG21 VAL 118 1HG2 VAL 118 2.892 30.394 12.732 880 HG22 VAL 118 2HG2 VAL 118 3.716 30.119 11.185 881 HG23 VAL 118 3HG2 VAL 118 3.414 28.754 12.285 882 H LEU 119 H LEU 119 0.410 26.242 10.221 883 HA LEU 119 HA LEU 119 -1.288 26.756 7.966 884 HB2 LEU 119 1HB LEU 119 -0.580 24.537 8.970 885 HB3 LEU 119 2HB LEU 119 -1.776 24.796 10.233 886 HG LEU 119 HG LEU 119 -2.634 24.940 7.352 887 HD11 LEU 119 1HD1 LEU 119 -2.931 22.516 7.270 888 HD12 LEU 119 2HD1 LEU 119 -2.158 22.352 8.867 889 HD13 LEU 119 3HD1 LEU 119 -1.222 22.936 7.480 890 HD21 LEU 119 1HD2 LEU 119 -4.352 25.421 8.987 891 HD22 LEU 119 2HD2 LEU 119 -3.931 23.983 9.933 892 HD23 LEU 119 3HD2 LEU 119 -4.681 23.810 8.334 893 H GLN 120 H GLN 120 -3.129 27.835 7.809 894 HA GLN 120 HA GLN 120 -4.647 28.591 10.275 895 HB2 GLN 120 1HB GLN 120 -3.872 30.334 7.916 896 HB3 GLN 120 2HB GLN 120 -5.053 30.793 9.148 897 HG2 GLN 120 1HG GLN 120 -3.447 31.102 10.775 898 HG3 GLN 120 2HG GLN 120 -2.294 30.028 9.985 899 HE21 GLN 120 1HE2 GLN 120 -0.884 32.488 7.926 900 HE22 GLN 120 2HE2 GLN 120 -1.034 30.774 8.263 901 H LEU 121 H LEU 121 -6.900 28.903 9.830 902 HA LEU 121 HA LEU 121 -7.781 27.651 7.255 903 HB2 LEU 121 1HB LEU 121 -8.911 27.703 10.042 904 HB3 LEU 121 2HB LEU 121 -10.014 27.628 8.686 905 HG LEU 121 HG LEU 121 -7.891 25.559 9.315 906 HD11 LEU 121 1HD1 LEU 121 -9.956 24.198 9.839 907 HD12 LEU 121 2HD1 LEU 121 -10.908 25.688 9.671 908 HD13 LEU 121 3HD1 LEU 121 -9.677 25.562 10.942 909 HD21 LEU 121 1HD2 LEU 121 -8.325 25.590 6.902 910 HD22 LEU 121 2HD2 LEU 121 -10.079 25.622 7.180 911 HD23 LEU 121 3HD2 LEU 121 -9.127 24.183 7.615 912 HA PRO 122 HA PRO 122 -9.372 31.614 6.311 913 HB2 PRO 122 1HB PRO 122 -11.436 31.074 4.616 914 HB3 PRO 122 2HB PRO 122 -9.711 30.815 4.155 915 HG2 PRO 122 1HG PRO 122 -11.717 28.834 5.194 916 HG3 PRO 122 2HG PRO 122 -10.659 28.714 3.754 917 HD2 PRO 122 1HD PRO 122 -10.004 27.566 6.099 918 HD3 PRO 122 2HD PRO 122 -8.754 28.310 5.047 919 H GLN 123 H GLN 123 -11.210 33.037 6.610 920 HA GLN 123 HA GLN 123 -12.521 32.645 9.068 921 HB2 GLN 123 1HB GLN 123 -12.148 34.840 7.929 922 HB3 GLN 123 2HB GLN 123 -13.388 34.415 6.744 923 HG2 GLN 123 1HG GLN 123 -14.273 35.934 8.460 924 HG3 GLN 123 2HG GLN 123 -15.094 34.368 8.507 925 HE21 GLN 123 1HE2 GLN 123 -12.877 35.645 11.681 926 HE22 GLN 123 2HE2 GLN 123 -12.862 36.507 10.161 927 H GLY 124 H GLY 124 -14.435 31.789 9.685 928 HA2 GLY 124 1HA GLY 124 -16.614 30.927 9.341 929 HA3 GLY 124 2HA GLY 124 -16.312 30.825 7.600 930 H THR 125 H THR 125 -13.540 29.520 8.462 931 HA THR 125 HA THR 125 -14.747 26.810 8.846 932 HB THR 125 HB THR 125 -11.965 27.377 7.770 933 HG1 THR 125 HG1 THR 125 -13.524 28.369 6.425 934 HG21 THR 125 1HG2 THR 125 -12.260 25.136 6.780 935 HG22 THR 125 2HG2 THR 125 -13.888 25.026 7.475 936 HG23 THR 125 3HG2 THR 125 -12.477 25.051 8.536 937 H THR 126 H THR 126 -14.333 25.727 10.648 938 HA THR 126 HA THR 126 -12.172 26.738 12.438 939 HB THR 126 HB THR 126 -13.697 25.766 14.276 940 HG1 THR 126 HG1 THR 126 -15.898 25.677 13.664 941 HG21 THR 126 1HG2 THR 126 -15.015 27.811 14.420 942 HG22 THR 126 2HG2 THR 126 -14.710 28.161 12.702 943 HG23 THR 126 3HG2 THR 126 -13.366 28.189 13.871 944 H LEU 127 H LEU 127 -11.008 25.248 13.610 945 HA LEU 127 HA LEU 127 -10.691 22.649 12.364 946 HB2 LEU 127 1HB LEU 127 -9.636 23.716 14.985 947 HB3 LEU 127 2HB LEU 127 -9.121 22.225 14.248 948 HG LEU 127 HG LEU 127 -8.669 24.949 12.999 949 HD11 LEU 127 1HD1 LEU 127 -6.348 24.713 13.767 950 HD12 LEU 127 2HD1 LEU 127 -6.763 23.192 14.592 951 HD13 LEU 127 3HD1 LEU 127 -7.468 24.726 15.146 952 HD21 LEU 127 1HD2 LEU 127 -7.480 22.206 12.400 953 HD22 LEU 127 2HD2 LEU 127 -7.055 23.734 11.593 954 HD23 LEU 127 3HD2 LEU 127 -8.678 23.058 11.402 955 HA PRO 128 HA PRO 128 -13.645 20.645 14.941 956 HB2 PRO 128 1HB PRO 128 -12.826 18.047 14.956 957 HB3 PRO 128 2HB PRO 128 -13.451 18.842 13.476 958 HG2 PRO 128 1HG PRO 128 -10.646 18.337 14.319 959 HG3 PRO 128 2HG PRO 128 -11.410 18.092 12.727 960 HD2 PRO 128 1HD PRO 128 -9.878 20.285 13.397 961 HD3 PRO 128 2HD PRO 128 -11.175 20.342 12.170 962 H LYS 129 H LYS 129 -13.802 19.258 16.996 963 HA LYS 129 HA LYS 129 -12.295 20.551 19.020 964 HB2 LYS 129 1HB LYS 129 -14.569 19.493 19.240 965 HB3 LYS 129 2HB LYS 129 -13.781 17.909 19.239 966 HG2 LYS 129 1HG LYS 129 -12.561 18.503 21.290 967 HG3 LYS 129 2HG LYS 129 -13.292 20.121 21.264 968 HD2 LYS 129 1HD LYS 129 -15.539 19.084 21.427 969 HD3 LYS 129 2HD LYS 129 -14.774 17.484 21.536 970 HE2 LYS 129 1HE LYS 129 -13.585 18.190 23.587 971 HE3 LYS 129 2HE LYS 129 -14.338 19.795 23.473 972 HZ1 LYS 129 1HZ LYS 129 -15.531 18.360 25.009 973 HZ2 LYS 129 2HZ LYS 129 -15.805 17.242 23.828 974 HZ3 LYS 129 3HZ LYS 129 -16.499 18.735 23.727 975 H GLY 130 H GLY 130 -10.391 20.153 19.940 976 HA2 GLY 130 1HA GLY 130 -8.705 18.764 20.834 977 HA3 GLY 130 2HA GLY 130 -9.224 17.446 19.783 978 H PHE 131 H PHE 131 -9.053 20.092 17.770 979 HA PHE 131 HA PHE 131 -6.309 19.355 16.981 980 HB2 PHE 131 1HB PHE 131 -8.800 20.023 15.553 981 HB3 PHE 131 2HB PHE 131 -7.349 20.801 14.922 982 HD1 PHE 131 HD1 PHE 131 -9.060 17.586 15.445 983 HD2 PHE 131 HD2 PHE 131 -5.536 19.532 13.973 984 HE1 PHE 131 HE1 PHE 131 -8.452 15.529 14.198 985 HE2 PHE 131 HE2 PHE 131 -4.898 17.459 12.741 986 HZ PHE 131 HZ PHE 131 -6.370 15.466 12.856 987 H TYR 132 H TYR 132 -4.789 20.770 16.752 988 HA TYR 132 HA TYR 132 -5.369 23.657 16.675 989 HB2 TYR 132 1HB TYR 132 -3.777 24.241 18.390 990 HB3 TYR 132 2HB TYR 132 -5.010 23.185 19.075 991 HD1 TYR 132 HD1 TYR 132 -4.431 20.844 19.756 992 HD2 TYR 132 HD2 TYR 132 -1.435 23.536 18.221 993 HE1 TYR 132 HE1 TYR 132 -2.636 19.395 20.695 994 HE2 TYR 132 HE2 TYR 132 0.350 22.072 19.161 995 HH TYR 132 HH TYR 132 -0.389 19.162 21.079 996 H ALA 133 H ALA 133 -3.314 24.865 16.065 997 HA ALA 133 HA ALA 133 -1.868 23.194 14.072 998 HB1 ALA 133 1HB ALA 133 -3.257 25.035 13.162 999 HB2 ALA 133 2HB ALA 133 -1.530 25.298 12.834 1000 HB3 ALA 133 3HB ALA 133 -2.336 26.205 14.132 1001 H GLU 134 H GLU 134 0.312 23.334 13.744 1002 HA GLU 134 HA GLU 134 1.917 23.946 16.110 1003 HB2 GLU 134 1HB GLU 134 2.489 22.064 14.655 1004 HB3 GLU 134 2HB GLU 134 2.560 23.121 13.263 1005 HG2 GLU 134 1HG GLU 134 4.795 22.763 13.704 1006 HG3 GLU 134 2HG GLU 134 4.521 24.310 14.511 1007 H GLY 135 H GLY 135 3.106 25.767 16.502 1008 HA2 GLY 135 1HA GLY 135 4.208 27.767 15.997 1009 HA3 GLY 135 2HA GLY 135 3.648 27.659 14.323 1010 H SER 136 H SER 136 0.967 27.110 16.154 1011 HA SER 136 HA SER 136 0.202 29.995 16.104 1012 HB2 SER 136 1HB SER 136 -1.091 28.284 14.713 1013 HB3 SER 136 2HB SER 136 -1.642 27.585 16.249 1014 HG SER 136 HG SER 136 -3.056 29.207 15.285 1015 H ARG 137 H ARG 137 -1.745 30.226 17.846 1016 HA ARG 137 HA ARG 137 -1.071 28.893 20.409 1017 HB2 ARG 137 1HB ARG 137 -0.417 31.696 19.684 1018 HB3 ARG 137 2HB ARG 137 -1.373 31.546 21.160 1019 HG2 ARG 137 1HG ARG 137 1.001 29.741 20.900 1020 HG3 ARG 137 2HG ARG 137 1.325 31.467 21.141 1021 HD2 ARG 137 1HD ARG 137 -0.548 29.864 22.908 1022 HD3 ARG 137 2HD ARG 137 1.173 30.079 23.262 1023 HE ARG 137 HE ARG 137 0.164 32.643 22.834 1024 HH11 ARG 137 1HH1 ARG 137 -0.510 30.047 25.157 1025 HH12 ARG 137 2HH1 ARG 137 -0.944 31.191 26.406 1026 HH21 ARG 137 1HH2 ARG 137 -0.422 34.005 24.481 1027 HH22 ARG 137 2HH2 ARG 137 -0.922 33.370 26.024 1028 H GLY 138 H GLY 138 -2.849 29.034 21.865 1029 HA2 GLY 138 1HA GLY 138 -5.115 30.358 22.024 1030 HA3 GLY 138 2HA GLY 138 -5.410 29.593 20.441 1031 H GLY 139 H GLY 139 -6.365 29.233 23.460 1032 HA2 GLY 139 1HA GLY 139 -7.343 27.345 24.471 1033 HA3 GLY 139 2HA GLY 139 -6.518 26.294 23.297 1034 H SER 140 H SER 140 -3.936 27.452 23.610 1035 HA SER 140 HA SER 140 -3.090 27.334 26.406 1036 HB2 SER 140 1HB SER 140 -2.127 25.310 24.328 1037 HB3 SER 140 2HB SER 140 -1.408 25.562 25.936 1038 HG SER 140 HG SER 140 -4.087 25.211 26.116
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