NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
468055 | 2kz6 | 16999 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 4.939 -5.671 6.779 2 HA MET 1 HA MET 1 5.543 -4.522 4.814 3 HB2 MET 1 HB2 MET 1 6.781 -2.668 5.849 4 HB3 MET 1 HB3 MET 1 8.046 -3.762 6.382 5 HG2 MET 1 HG2 MET 1 7.451 -3.284 3.451 6 HG3 MET 1 HG3 MET 1 8.577 -2.289 4.377 7 HE1 MET 1 HE1 MET 1 11.105 -4.350 2.298 8 HE2 MET 1 HE2 MET 1 10.704 -2.757 2.934 9 HE3 MET 1 HE3 MET 1 9.614 -3.555 1.800 10 H LEU 2 H LEU 2 5.698 -6.270 3.626 11 HA LEU 2 HA LEU 2 8.000 -8.114 3.944 12 HB2 LEU 2 HB2 LEU 2 6.565 -9.975 3.122 13 HB3 LEU 2 HB3 LEU 2 6.057 -9.322 4.663 14 HG LEU 2 HG LEU 2 4.272 -7.991 3.281 15 HD11 LEU 2 HD11 LEU 2 4.848 -10.169 1.252 16 HD12 LEU 2 HD12 LEU 2 5.111 -8.438 1.025 17 HD13 LEU 2 HD13 LEU 2 3.477 -9.055 1.231 18 HD21 LEU 2 HD21 LEU 2 4.003 -10.990 3.612 19 HD22 LEU 2 HD22 LEU 2 2.675 -9.831 3.450 20 HD23 LEU 2 HD23 LEU 2 3.729 -9.774 4.863 21 H LEU 3 H LEU 3 8.927 -8.934 2.029 22 HA LEU 3 HA LEU 3 9.151 -7.006 -0.024 23 HB2 LEU 3 HB2 LEU 3 10.257 -9.832 -0.043 24 HB3 LEU 3 HB3 LEU 3 10.944 -8.401 -0.804 25 HG LEU 3 HG LEU 3 10.853 -8.998 2.189 26 HD11 LEU 3 HD11 LEU 3 13.246 -8.854 0.343 27 HD12 LEU 3 HD12 LEU 3 12.551 -10.315 1.044 28 HD13 LEU 3 HD13 LEU 3 13.289 -9.106 2.091 29 HD21 LEU 3 HD21 LEU 3 12.178 -6.928 2.497 30 HD22 LEU 3 HD22 LEU 3 10.555 -6.618 1.889 31 HD23 LEU 3 HD23 LEU 3 11.934 -6.538 0.790 32 H HIS 4 H HIS 4 7.409 -6.792 -1.450 33 HA HIS 4 HA HIS 4 5.619 -8.620 -2.367 34 HB2 HIS 4 HB2 HIS 4 5.018 -7.094 -4.086 35 HB3 HIS 4 HB3 HIS 4 5.661 -6.097 -2.788 36 HD1 HIS 4 HD1 HIS 4 5.842 -6.443 -6.330 37 HD2 HIS 4 HD2 HIS 4 8.588 -5.497 -3.378 38 HE1 HIS 4 HE1 HIS 4 7.731 -5.289 -7.511 39 HE2 HIS 4 HE2 HIS 4 9.475 -4.997 -5.738 40 H SER 5 H SER 5 8.947 -8.568 -3.382 41 HA SER 5 HA SER 5 8.622 -10.996 -4.867 42 HB2 SER 5 HB2 SER 5 9.573 -10.082 -7.041 43 HB3 SER 5 HB3 SER 5 7.934 -9.536 -6.687 44 HG SER 5 HG SER 5 10.340 -8.107 -6.683 45 H VAL 6 H VAL 6 10.331 -12.120 -4.094 46 HA VAL 6 HA VAL 6 13.025 -10.865 -4.204 47 HB VAL 6 HB VAL 6 12.378 -13.351 -2.540 48 HG11 VAL 6 HG11 VAL 6 14.759 -13.076 -3.164 49 HG12 VAL 6 HG12 VAL 6 14.547 -12.830 -1.431 50 HG13 VAL 6 HG13 VAL 6 14.772 -11.438 -2.494 51 HG21 VAL 6 HG21 VAL 6 12.487 -10.485 -1.545 52 HG22 VAL 6 HG22 VAL 6 12.379 -11.925 -0.532 53 HG23 VAL 6 HG23 VAL 6 11.051 -11.512 -1.618 54 H GLU 7 H GLU 7 14.018 -11.522 -5.994 55 HA GLU 7 HA GLU 7 13.512 -14.068 -7.286 56 HB2 GLU 7 HB2 GLU 7 15.608 -11.917 -7.870 57 HB3 GLU 7 HB3 GLU 7 15.231 -13.297 -8.909 58 HG2 GLU 7 HG2 GLU 7 12.976 -12.479 -9.276 59 HG3 GLU 7 HG3 GLU 7 13.219 -11.163 -8.128 60 H THR 8 H THR 8 13.967 -15.477 -5.631 61 HA THR 8 HA THR 8 16.453 -15.582 -4.163 62 HB THR 8 HB THR 8 15.472 -17.595 -3.111 63 HG1 THR 8 HG1 THR 8 13.317 -17.362 -4.965 64 HG21 THR 8 HG21 THR 8 14.648 -15.419 -2.305 65 HG22 THR 8 HG22 THR 8 13.391 -16.647 -2.204 66 HG23 THR 8 HG23 THR 8 13.350 -15.458 -3.506 67 HA PRO 9 HA PRO 9 18.891 -18.363 -6.780 68 HB2 PRO 9 HB2 PRO 9 19.114 -20.476 -4.651 69 HB3 PRO 9 HB3 PRO 9 20.390 -19.579 -5.487 70 HG2 PRO 9 HG2 PRO 9 19.783 -19.003 -2.951 71 HG3 PRO 9 HG3 PRO 9 20.174 -17.709 -4.105 72 HD2 PRO 9 HD2 PRO 9 17.459 -18.610 -3.121 73 HD3 PRO 9 HD3 PRO 9 18.091 -16.959 -3.321 74 H ARG 10 H ARG 10 16.195 -19.889 -5.127 75 HA ARG 10 HA ARG 10 15.928 -22.039 -7.088 76 HB2 ARG 10 HB2 ARG 10 13.964 -22.746 -5.738 77 HB3 ARG 10 HB3 ARG 10 15.439 -22.598 -4.789 78 HG2 ARG 10 HG2 ARG 10 14.643 -20.395 -3.943 79 HG3 ARG 10 HG3 ARG 10 13.141 -20.621 -4.850 80 HD2 ARG 10 HD2 ARG 10 12.856 -21.246 -2.490 81 HD3 ARG 10 HD3 ARG 10 12.644 -22.646 -3.546 82 HE ARG 10 HE ARG 10 15.322 -22.557 -2.730 83 HH11 ARG 10 HH11 ARG 10 12.195 -23.102 -1.211 84 HH12 ARG 10 HH12 ARG 10 12.859 -24.130 0.009 85 HH21 ARG 10 HH21 ARG 10 16.142 -23.896 -1.134 86 HH22 ARG 10 HH22 ARG 10 15.078 -24.578 0.044 87 H GLY 11 H GLY 11 15.246 -18.895 -7.367 88 HA2 GLY 11 HA2 GLY 11 14.219 -18.326 -9.556 89 HA3 GLY 11 HA3 GLY 11 12.845 -19.317 -9.083 90 H GLU 12 H GLU 12 11.594 -17.339 -9.546 91 HA GLU 12 HA GLU 12 11.963 -15.037 -7.754 92 HB2 GLU 12 HB2 GLU 12 11.500 -14.589 -10.156 93 HB3 GLU 12 HB3 GLU 12 9.992 -15.491 -10.043 94 HG2 GLU 12 HG2 GLU 12 9.213 -13.787 -8.326 95 HG3 GLU 12 HG3 GLU 12 10.663 -12.858 -8.698 96 H ILE 13 H ILE 13 10.554 -14.529 -6.117 97 HA ILE 13 HA ILE 13 8.232 -16.290 -5.569 98 HB ILE 13 HB ILE 13 10.048 -15.037 -3.434 99 HG12 ILE 13 HG12 ILE 13 11.317 -16.819 -4.622 100 HG13 ILE 13 HG13 ILE 13 10.958 -17.290 -2.968 101 HG21 ILE 13 HG21 ILE 13 7.715 -15.385 -2.721 102 HG22 ILE 13 HG22 ILE 13 8.798 -16.477 -1.862 103 HG23 ILE 13 HG23 ILE 13 7.807 -17.086 -3.188 104 HD11 ILE 13 HD11 ILE 13 9.547 -18.259 -5.445 105 HD12 ILE 13 HD12 ILE 13 9.154 -18.731 -3.787 106 HD13 ILE 13 HD13 ILE 13 10.721 -19.147 -4.480 107 H LEU 14 H LEU 14 6.379 -15.173 -4.988 108 HA LEU 14 HA LEU 14 6.476 -12.204 -5.028 109 HB2 LEU 14 HB2 LEU 14 4.182 -14.083 -5.743 110 HB3 LEU 14 HB3 LEU 14 4.126 -12.327 -5.819 111 HG LEU 14 HG LEU 14 5.872 -14.121 -7.558 112 HD11 LEU 14 HD11 LEU 14 4.417 -13.435 -9.410 113 HD12 LEU 14 HD12 LEU 14 3.398 -12.524 -8.290 114 HD13 LEU 14 HD13 LEU 14 3.512 -14.281 -8.153 115 HD21 LEU 14 HD21 LEU 14 5.557 -11.097 -7.633 116 HD22 LEU 14 HD22 LEU 14 6.458 -12.067 -8.802 117 HD23 LEU 14 HD23 LEU 14 6.997 -11.989 -7.130 118 H ASN 15 H ASN 15 5.677 -11.117 -3.358 119 HA ASN 15 HA ASN 15 5.074 -10.524 -1.276 120 HB2 ASN 15 HB2 ASN 15 2.834 -12.509 -1.819 121 HB3 ASN 15 HB3 ASN 15 2.816 -11.317 -0.524 122 HD21 ASN 15 HD21 ASN 15 2.468 -11.840 -3.935 123 HD22 ASN 15 HD22 ASN 15 1.919 -10.256 -4.344 124 H VAL 16 H VAL 16 6.769 -11.169 -0.049 125 HA VAL 16 HA VAL 16 6.565 -13.552 1.601 126 HB VAL 16 HB VAL 16 7.604 -14.563 -0.308 127 HG11 VAL 16 HG11 VAL 16 9.611 -13.740 -1.438 128 HG12 VAL 16 HG12 VAL 16 9.626 -12.311 -0.403 129 HG13 VAL 16 HG13 VAL 16 8.299 -12.563 -1.540 130 HG21 VAL 16 HG21 VAL 16 9.799 -15.283 0.516 131 HG22 VAL 16 HG22 VAL 16 8.636 -15.199 1.839 132 HG23 VAL 16 HG23 VAL 16 9.838 -13.924 1.643 133 H SER 17 H SER 17 7.453 -13.172 3.587 134 HA SER 17 HA SER 17 8.538 -10.640 4.310 135 HB2 SER 17 HB2 SER 17 7.264 -12.028 5.917 136 HB3 SER 17 HB3 SER 17 8.520 -13.265 5.864 137 HG SER 17 HG SER 17 8.883 -10.583 6.787 138 H GLU 18 H GLU 18 10.690 -10.301 5.376 139 HA GLU 18 HA GLU 18 12.900 -11.205 3.824 140 HB2 GLU 18 HB2 GLU 18 13.024 -9.989 6.623 141 HB3 GLU 18 HB3 GLU 18 14.323 -10.040 5.441 142 HG2 GLU 18 HG2 GLU 18 13.600 -7.820 5.358 143 HG3 GLU 18 HG3 GLU 18 12.799 -8.555 3.971 144 H GLN 19 H GLN 19 11.416 -12.204 6.836 145 HA GLN 19 HA GLN 19 13.319 -14.047 7.813 146 HB2 GLN 19 HB2 GLN 19 10.281 -14.062 8.142 147 HB3 GLN 19 HB3 GLN 19 11.416 -14.993 9.117 148 HG2 GLN 19 HG2 GLN 19 11.260 -11.968 9.000 149 HG3 GLN 19 HG3 GLN 19 10.607 -12.976 10.287 150 HE21 GLN 19 HE21 GLN 19 12.924 -14.799 10.364 151 HE22 GLN 19 HE22 GLN 19 14.204 -13.901 11.092 152 H GLU 20 H GLU 20 10.320 -14.599 5.948 153 HA GLU 20 HA GLU 20 10.559 -17.387 5.633 154 HB2 GLU 20 HB2 GLU 20 8.426 -16.230 5.427 155 HB3 GLU 20 HB3 GLU 20 9.009 -15.284 4.060 156 HG2 GLU 20 HG2 GLU 20 9.037 -17.236 2.640 157 HG3 GLU 20 HG3 GLU 20 8.684 -18.289 3.998 158 H ALA 21 H ALA 21 11.261 -14.748 3.345 159 HA ALA 21 HA ALA 21 12.296 -16.044 1.194 160 HB1 ALA 21 HB1 ALA 21 13.618 -14.039 0.704 161 HB2 ALA 21 HB2 ALA 21 13.401 -13.485 2.369 162 HB3 ALA 21 HB3 ALA 21 12.008 -13.618 1.297 163 H ARG 22 H ARG 22 14.215 -15.162 4.105 164 HA ARG 22 HA ARG 22 16.609 -16.443 3.112 165 HB2 ARG 22 HB2 ARG 22 15.924 -15.380 5.879 166 HB3 ARG 22 HB3 ARG 22 17.510 -15.999 5.420 167 HG2 ARG 22 HG2 ARG 22 17.664 -14.218 3.681 168 HG3 ARG 22 HG3 ARG 22 16.122 -13.572 4.250 169 HD2 ARG 22 HD2 ARG 22 17.978 -12.297 5.193 170 HD3 ARG 22 HD3 ARG 22 17.131 -13.164 6.478 171 HE ARG 22 HE ARG 22 19.181 -14.837 5.728 172 HH11 ARG 22 HH11 ARG 22 19.075 -11.526 6.902 173 HH12 ARG 22 HH12 ARG 22 20.622 -11.632 7.679 174 HH21 ARG 22 HH21 ARG 22 21.215 -14.938 6.703 175 HH22 ARG 22 HH22 ARG 22 21.845 -13.565 7.556 176 H ASP 23 H ASP 23 13.952 -17.422 5.242 177 HA ASP 23 HA ASP 23 15.377 -19.509 6.608 178 HB2 ASP 23 HB2 ASP 23 13.514 -18.229 7.669 179 HB3 ASP 23 HB3 ASP 23 12.380 -18.910 6.508 180 H VAL 24 H VAL 24 12.588 -19.543 4.392 181 HA VAL 24 HA VAL 24 12.839 -22.394 3.869 182 HB VAL 24 HB VAL 24 10.917 -20.358 2.630 183 HG11 VAL 24 HG11 VAL 24 10.785 -23.405 2.660 184 HG12 VAL 24 HG12 VAL 24 11.121 -22.393 1.253 185 HG13 VAL 24 HG13 VAL 24 9.536 -22.328 2.022 186 HG21 VAL 24 HG21 VAL 24 10.465 -22.194 5.013 187 HG22 VAL 24 HG22 VAL 24 9.243 -21.169 4.260 188 HG23 VAL 24 HG23 VAL 24 10.630 -20.438 5.073 189 H PHE 25 H PHE 25 12.872 -19.391 1.900 190 HA PHE 25 HA PHE 25 13.457 -20.864 -0.516 191 HB2 PHE 25 HB2 PHE 25 13.200 -17.860 -0.100 192 HB3 PHE 25 HB3 PHE 25 13.196 -18.693 -1.654 193 HD1 PHE 25 HD1 PHE 25 11.368 -20.802 -1.611 194 HD2 PHE 25 HD2 PHE 25 11.054 -17.135 0.561 195 HE1 PHE 25 HE1 PHE 25 8.927 -21.064 -1.502 196 HE2 PHE 25 HE2 PHE 25 8.619 -17.414 0.660 197 HZ PHE 25 HZ PHE 25 7.551 -19.372 -0.368 198 H GLY 26 H GLY 26 15.375 -19.252 1.829 199 HA2 GLY 26 HA2 GLY 26 17.637 -19.127 2.106 200 HA3 GLY 26 HA3 GLY 26 17.819 -20.180 0.711 201 H ALA 27 H ALA 27 16.425 -16.932 1.003 202 HA ALA 27 HA ALA 27 17.728 -15.948 -1.354 203 HB1 ALA 27 HB1 ALA 27 16.595 -13.828 -0.838 204 HB2 ALA 27 HB2 ALA 27 16.132 -14.447 0.752 205 HB3 ALA 27 HB3 ALA 27 15.476 -15.187 -0.709 206 H SER 28 H SER 28 19.320 -14.333 -1.505 207 HA SER 28 HA SER 28 21.363 -14.332 0.523 208 HB2 SER 28 HB2 SER 28 22.014 -14.230 -1.824 209 HB3 SER 28 HB3 SER 28 21.075 -12.762 -2.082 210 HG SER 28 HG SER 28 23.596 -13.039 -1.177 211 H GLU 29 H GLU 29 22.178 -12.471 1.571 212 HA GLU 29 HA GLU 29 20.198 -10.741 2.748 213 HB2 GLU 29 HB2 GLU 29 23.241 -10.652 2.902 214 HB3 GLU 29 HB3 GLU 29 22.143 -9.737 3.944 215 HG2 GLU 29 HG2 GLU 29 21.267 -11.774 4.911 216 HG3 GLU 29 HG3 GLU 29 22.174 -12.761 3.765 217 H GLN 30 H GLN 30 22.438 -10.492 0.091 218 HA GLN 30 HA GLN 30 22.101 -7.672 -0.436 219 HB2 GLN 30 HB2 GLN 30 23.050 -9.877 -2.315 220 HB3 GLN 30 HB3 GLN 30 23.237 -8.141 -2.566 221 HG2 GLN 30 HG2 GLN 30 24.690 -8.050 -0.534 222 HG3 GLN 30 HG3 GLN 30 24.571 -9.807 -0.404 223 HE21 GLN 30 HE21 GLN 30 26.790 -10.101 -0.669 224 HE22 GLN 30 HE22 GLN 30 27.598 -9.845 -2.172 225 H ALA 31 H ALA 31 20.484 -10.667 -1.296 226 HA ALA 31 HA ALA 31 18.767 -9.548 -3.343 227 HB1 ALA 31 HB1 ALA 31 18.593 -12.215 -1.888 228 HB2 ALA 31 HB2 ALA 31 19.414 -11.927 -3.422 229 HB3 ALA 31 HB3 ALA 31 17.662 -11.752 -3.316 230 H ILE 32 H ILE 32 18.785 -9.544 0.126 231 HA ILE 32 HA ILE 32 15.872 -9.537 0.441 232 HB ILE 32 HB ILE 32 18.139 -9.355 2.483 233 HG12 ILE 32 HG12 ILE 32 17.740 -11.641 1.686 234 HG13 ILE 32 HG13 ILE 32 17.216 -11.495 3.355 235 HG21 ILE 32 HG21 ILE 32 16.389 -9.346 4.264 236 HG22 ILE 32 HG22 ILE 32 15.149 -9.151 3.021 237 HG23 ILE 32 HG23 ILE 32 16.355 -7.887 3.270 238 HD11 ILE 32 HD11 ILE 32 14.894 -11.332 2.597 239 HD12 ILE 32 HD12 ILE 32 15.680 -12.823 2.087 240 HD13 ILE 32 HD13 ILE 32 15.437 -11.521 0.924 241 H ALA 33 H ALA 33 18.642 -7.526 1.504 242 HA ALA 33 HA ALA 33 17.655 -5.061 1.711 243 HB1 ALA 33 HB1 ALA 33 19.853 -4.172 1.077 244 HB2 ALA 33 HB2 ALA 33 20.266 -5.718 0.326 245 HB3 ALA 33 HB3 ALA 33 20.011 -5.625 2.069 246 H ASP 34 H ASP 34 18.641 -6.402 -1.502 247 HA ASP 34 HA ASP 34 17.892 -4.257 -3.109 248 HB2 ASP 34 HB2 ASP 34 19.152 -6.246 -3.936 249 HB3 ASP 34 HB3 ASP 34 17.683 -7.213 -3.821 250 H ALA 35 H ALA 35 15.930 -7.118 -2.281 251 HA ALA 35 HA ALA 35 13.544 -6.281 -3.547 252 HB1 ALA 35 HB1 ALA 35 12.458 -8.107 -2.295 253 HB2 ALA 35 HB2 ALA 35 13.903 -8.272 -1.290 254 HB3 ALA 35 HB3 ALA 35 13.989 -8.629 -3.013 255 H ARG 36 H ARG 36 14.836 -5.667 -0.388 256 HA ARG 36 HA ARG 36 12.490 -4.661 0.884 257 HB2 ARG 36 HB2 ARG 36 14.367 -5.506 2.217 258 HB3 ARG 36 HB3 ARG 36 15.429 -4.260 1.575 259 HG2 ARG 36 HG2 ARG 36 14.154 -2.523 2.738 260 HG3 ARG 36 HG3 ARG 36 12.987 -3.723 3.294 261 HD2 ARG 36 HD2 ARG 36 14.639 -4.781 4.707 262 HD3 ARG 36 HD3 ARG 36 15.929 -3.779 4.031 263 HE ARG 36 HE ARG 36 14.392 -1.875 5.015 264 HH11 ARG 36 HH11 ARG 36 15.192 -4.941 6.540 265 HH12 ARG 36 HH12 ARG 36 15.114 -4.297 8.144 266 HH21 ARG 36 HH21 ARG 36 14.335 -1.039 7.106 267 HH22 ARG 36 HH22 ARG 36 14.651 -2.070 8.466 268 H LYS 37 H LYS 37 15.324 -3.131 -0.554 269 HA LYS 37 HA LYS 37 14.642 -0.445 -0.521 270 HB2 LYS 37 HB2 LYS 37 16.848 -1.178 -1.181 271 HB3 LYS 37 HB3 LYS 37 16.199 -2.153 -2.489 272 HG2 LYS 37 HG2 LYS 37 15.430 0.114 -3.524 273 HG3 LYS 37 HG3 LYS 37 16.530 0.850 -2.361 274 HD2 LYS 37 HD2 LYS 37 17.647 0.561 -4.520 275 HD3 LYS 37 HD3 LYS 37 18.402 -0.485 -3.313 276 HE2 LYS 37 HE2 LYS 37 17.035 -2.400 -4.184 277 HE3 LYS 37 HE3 LYS 37 16.393 -1.339 -5.438 278 HZ1 LYS 37 HZ1 LYS 37 19.244 -2.045 -5.073 279 HZ2 LYS 37 HZ2 LYS 37 18.618 -1.061 -6.294 280 HZ3 LYS 37 HZ3 LYS 37 18.205 -2.699 -6.232 281 H ALA 38 H ALA 38 13.538 -3.050 -2.633 282 HA ALA 38 HA ALA 38 12.529 -1.242 -4.686 283 HB1 ALA 38 HB1 ALA 38 12.530 -4.286 -4.543 284 HB2 ALA 38 HB2 ALA 38 13.730 -3.290 -5.366 285 HB3 ALA 38 HB3 ALA 38 12.064 -3.318 -5.947 286 H THR 39 H THR 39 11.363 -3.287 -2.044 287 HA THR 39 HA THR 39 8.570 -3.188 -2.761 288 HB THR 39 HB THR 39 9.897 -3.973 -0.122 289 HG1 THR 39 HG1 THR 39 10.147 -5.272 -2.178 290 HG21 THR 39 HG21 THR 39 7.543 -3.293 0.255 291 HG22 THR 39 HG22 THR 39 7.770 -5.029 0.474 292 HG23 THR 39 HG23 THR 39 7.025 -4.418 -1.005 293 H ILE 40 H ILE 40 10.730 -1.491 -0.487 294 HA ILE 40 HA ILE 40 8.917 0.381 0.563 295 HB ILE 40 HB ILE 40 11.929 0.510 0.091 296 HG12 ILE 40 HG12 ILE 40 11.195 -1.053 1.840 297 HG13 ILE 40 HG13 ILE 40 12.060 0.292 2.568 298 HG21 ILE 40 HG21 ILE 40 10.282 2.659 1.474 299 HG22 ILE 40 HG22 ILE 40 11.196 2.836 -0.027 300 HG23 ILE 40 HG23 ILE 40 12.044 2.553 1.494 301 HD11 ILE 40 HD11 ILE 40 9.063 -0.087 2.538 302 HD12 ILE 40 HD12 ILE 40 9.919 1.276 3.268 303 HD13 ILE 40 HD13 ILE 40 10.144 -0.354 3.900 304 H LEU 41 H LEU 41 11.146 0.664 -2.202 305 HA LEU 41 HA LEU 41 10.455 3.145 -3.196 306 HB2 LEU 41 HB2 LEU 41 12.396 2.235 -4.072 307 HB3 LEU 41 HB3 LEU 41 11.680 0.673 -4.379 308 HG LEU 41 HG LEU 41 10.694 2.921 -6.112 309 HD11 LEU 41 HD11 LEU 41 12.619 2.808 -7.628 310 HD12 LEU 41 HD12 LEU 41 13.468 1.751 -6.497 311 HD13 LEU 41 HD13 LEU 41 13.098 3.415 -6.042 312 HD21 LEU 41 HD21 LEU 41 10.758 1.164 -7.854 313 HD22 LEU 41 HD22 LEU 41 9.847 0.637 -6.441 314 HD23 LEU 41 HD23 LEU 41 11.490 0.042 -6.698 315 H GLN 42 H GLN 42 8.738 0.114 -3.620 316 HA GLN 42 HA GLN 42 7.007 1.062 -5.750 317 HB2 GLN 42 HB2 GLN 42 7.659 -1.357 -5.547 318 HB3 GLN 42 HB3 GLN 42 6.809 -1.436 -4.008 319 HG2 GLN 42 HG2 GLN 42 4.699 -0.781 -5.278 320 HG3 GLN 42 HG3 GLN 42 5.615 -1.031 -6.762 321 HE21 GLN 42 HE21 GLN 42 4.248 -2.690 -7.429 322 HE22 GLN 42 HE22 GLN 42 4.236 -4.245 -6.677 323 H THR 43 H THR 43 6.806 0.321 -2.303 324 HA THR 43 HA THR 43 4.093 0.712 -1.872 325 HB THR 43 HB THR 43 6.389 0.959 0.103 326 HG1 THR 43 HG1 THR 43 6.255 -1.139 0.089 327 HG21 THR 43 HG21 THR 43 4.443 2.170 1.041 328 HG22 THR 43 HG22 THR 43 4.727 0.662 1.913 329 HG23 THR 43 HG23 THR 43 3.419 0.765 0.734 330 H LEU 44 H LEU 44 6.794 3.073 -1.532 331 HA LEU 44 HA LEU 44 5.270 5.049 -0.167 332 HB2 LEU 44 HB2 LEU 44 7.758 5.640 -1.796 333 HB3 LEU 44 HB3 LEU 44 7.148 6.515 -0.405 334 HG LEU 44 HG LEU 44 8.638 3.884 -0.483 335 HD11 LEU 44 HD11 LEU 44 10.174 4.958 1.067 336 HD12 LEU 44 HD12 LEU 44 9.193 6.426 1.049 337 HD13 LEU 44 HD13 LEU 44 9.999 5.883 -0.426 338 HD21 LEU 44 HD21 LEU 44 7.124 4.889 1.945 339 HD22 LEU 44 HD22 LEU 44 8.279 3.557 1.928 340 HD23 LEU 44 HD23 LEU 44 6.782 3.428 1.016 341 H ARG 45 H ARG 45 6.091 4.638 -3.623 342 HA ARG 45 HA ARG 45 4.898 7.072 -4.500 343 HB2 ARG 45 HB2 ARG 45 5.099 6.164 -6.782 344 HB3 ARG 45 HB3 ARG 45 6.584 5.971 -5.864 345 HG2 ARG 45 HG2 ARG 45 5.971 3.566 -5.470 346 HG3 ARG 45 HG3 ARG 45 4.579 3.788 -6.532 347 HD2 ARG 45 HD2 ARG 45 6.469 2.741 -7.720 348 HD3 ARG 45 HD3 ARG 45 6.088 4.327 -8.409 349 HE ARG 45 HE ARG 45 8.024 4.702 -6.445 350 HH11 ARG 45 HH11 ARG 45 7.870 3.033 -9.524 351 HH12 ARG 45 HH12 ARG 45 9.531 3.351 -9.899 352 HH21 ARG 45 HH21 ARG 45 10.128 5.141 -6.938 353 HH22 ARG 45 HH22 ARG 45 10.826 4.555 -8.417 354 H ILE 46 H ILE 46 3.733 3.704 -4.440 355 HA ILE 46 HA ILE 46 1.194 4.213 -5.611 356 HB ILE 46 HB ILE 46 2.132 1.892 -3.846 357 HG12 ILE 46 HG12 ILE 46 1.790 2.114 -6.876 358 HG13 ILE 46 HG13 ILE 46 3.324 2.092 -6.011 359 HG21 ILE 46 HG21 ILE 46 0.152 0.622 -4.649 360 HG22 ILE 46 HG22 ILE 46 -0.447 2.057 -5.480 361 HG23 ILE 46 HG23 ILE 46 -0.339 2.040 -3.719 362 HD11 ILE 46 HD11 ILE 46 1.343 -0.180 -6.218 363 HD12 ILE 46 HD12 ILE 46 2.831 -0.213 -5.261 364 HD13 ILE 46 HD13 ILE 46 2.911 -0.050 -7.016 365 H GLU 47 H GLU 47 2.418 4.345 -2.354 366 HA GLU 47 HA GLU 47 0.014 4.249 -0.876 367 HB2 GLU 47 HB2 GLU 47 2.849 4.540 -0.287 368 HB3 GLU 47 HB3 GLU 47 1.964 5.735 0.625 369 HG2 GLU 47 HG2 GLU 47 1.364 2.780 0.671 370 HG3 GLU 47 HG3 GLU 47 2.375 3.609 1.848 371 H ARG 48 H ARG 48 1.985 6.912 -2.126 372 HA ARG 48 HA ARG 48 0.552 9.105 -1.106 373 HB2 ARG 48 HB2 ARG 48 2.812 9.145 -2.315 374 HB3 ARG 48 HB3 ARG 48 1.925 9.003 -3.830 375 HG2 ARG 48 HG2 ARG 48 0.768 11.150 -3.340 376 HG3 ARG 48 HG3 ARG 48 1.672 11.283 -1.829 377 HD2 ARG 48 HD2 ARG 48 2.799 11.340 -4.644 378 HD3 ARG 48 HD3 ARG 48 2.712 12.688 -3.506 379 HE ARG 48 HE ARG 48 4.419 10.284 -3.126 380 HH11 ARG 48 HH11 ARG 48 3.930 13.738 -2.682 381 HH12 ARG 48 HH12 ARG 48 5.529 14.005 -2.074 382 HH21 ARG 48 HH21 ARG 48 6.532 10.655 -2.334 383 HH22 ARG 48 HH22 ARG 48 7.001 12.260 -1.868 384 H ASP 49 H ASP 49 0.293 7.391 -4.229 385 HA ASP 49 HA ASP 49 -1.973 8.669 -5.268 386 HB2 ASP 49 HB2 ASP 49 -0.825 5.893 -5.733 387 HB3 ASP 49 HB3 ASP 49 -2.248 6.464 -6.603 388 H GLU 50 H GLU 50 -1.723 5.920 -3.002 389 HA GLU 50 HA GLU 50 -4.437 5.107 -2.993 390 HB2 GLU 50 HB2 GLU 50 -2.349 4.902 -0.776 391 HB3 GLU 50 HB3 GLU 50 -3.945 4.167 -0.670 392 HG2 GLU 50 HG2 GLU 50 -1.859 3.487 -2.751 393 HG3 GLU 50 HG3 GLU 50 -2.129 2.581 -1.271 394 H ARG 51 H ARG 51 -2.658 7.448 -0.993 395 HA ARG 51 HA ARG 51 -4.735 8.125 0.793 396 HB2 ARG 51 HB2 ARG 51 -2.430 9.875 -0.145 397 HB3 ARG 51 HB3 ARG 51 -3.399 10.139 1.301 398 HG2 ARG 51 HG2 ARG 51 -1.468 7.860 0.803 399 HG3 ARG 51 HG3 ARG 51 -1.234 9.225 1.890 400 HD2 ARG 51 HD2 ARG 51 -3.180 8.424 3.239 401 HD3 ARG 51 HD3 ARG 51 -3.297 7.017 2.179 402 HE ARG 51 HE ARG 51 -1.306 6.175 3.058 403 HH11 ARG 51 HH11 ARG 51 -2.077 9.266 4.570 404 HH12 ARG 51 HH12 ARG 51 -1.003 9.006 5.905 405 HH21 ARG 51 HH21 ARG 51 0.134 5.885 4.751 406 HH22 ARG 51 HH22 ARG 51 0.256 7.075 6.011 407 H LEU 52 H LEU 52 -3.922 9.302 -2.442 408 HA LEU 52 HA LEU 52 -5.813 11.474 -2.437 409 HB2 LEU 52 HB2 LEU 52 -4.086 10.181 -4.548 410 HB3 LEU 52 HB3 LEU 52 -5.395 11.234 -5.054 411 HG LEU 52 HG LEU 52 -4.386 13.091 -3.686 412 HD11 LEU 52 HD11 LEU 52 -2.105 12.972 -2.887 413 HD12 LEU 52 HD12 LEU 52 -2.012 11.268 -3.333 414 HD13 LEU 52 HD13 LEU 52 -3.121 11.789 -2.063 415 HD21 LEU 52 HD21 LEU 52 -2.554 11.961 -5.815 416 HD22 LEU 52 HD22 LEU 52 -2.593 13.635 -5.257 417 HD23 LEU 52 HD23 LEU 52 -3.985 12.959 -6.099 418 H ARG 53 H ARG 53 -5.852 8.227 -4.017 419 HA ARG 53 HA ARG 53 -8.426 8.703 -5.223 420 HB2 ARG 53 HB2 ARG 53 -8.204 6.453 -6.187 421 HB3 ARG 53 HB3 ARG 53 -6.753 7.418 -6.424 422 HG2 ARG 53 HG2 ARG 53 -5.680 6.181 -4.523 423 HG3 ARG 53 HG3 ARG 53 -7.106 5.145 -4.433 424 HD2 ARG 53 HD2 ARG 53 -6.706 4.273 -6.634 425 HD3 ARG 53 HD3 ARG 53 -5.469 5.487 -6.967 426 HE ARG 53 HE ARG 53 -4.760 3.838 -4.733 427 HH11 ARG 53 HH11 ARG 53 -4.906 3.834 -8.251 428 HH12 ARG 53 HH12 ARG 53 -3.584 2.731 -8.424 429 HH21 ARG 53 HH21 ARG 53 -3.019 2.348 -4.997 430 HH22 ARG 53 HH22 ARG 53 -2.529 1.884 -6.593 431 H ALA 54 H ALA 54 -7.394 7.089 -2.303 432 HA ALA 54 HA ALA 54 -9.870 5.644 -1.868 433 HB1 ALA 54 HB1 ALA 54 -8.941 5.116 0.349 434 HB2 ALA 54 HB2 ALA 54 -7.622 6.259 0.083 435 HB3 ALA 54 HB3 ALA 54 -7.749 4.812 -0.917 436 H CYS 55 H CYS 55 -8.468 8.740 -0.880 437 HA CYS 55 HA CYS 55 -10.755 9.472 0.789 438 HB2 CYS 55 HB2 CYS 55 -8.265 11.025 -0.001 439 HB3 CYS 55 HB3 CYS 55 -9.461 11.551 1.186 440 HG CYS 55 HG CYS 55 -6.845 9.630 1.603 441 H ASP 56 H ASP 56 -10.583 9.191 -2.381 442 HA ASP 56 HA ASP 56 -11.371 11.693 -3.478 443 HB2 ASP 56 HB2 ASP 56 -10.358 9.845 -4.801 444 HB3 ASP 56 HB3 ASP 56 -11.793 8.862 -4.538 445 H TRP 57 H TRP 57 -13.083 9.410 -1.574 446 HA TRP 57 HA TRP 57 -15.734 9.706 -2.489 447 HB2 TRP 57 HB2 TRP 57 -16.441 8.725 -0.386 448 HB3 TRP 57 HB3 TRP 57 -14.958 7.920 -0.884 449 HD1 TRP 57 HD1 TRP 57 -12.669 8.660 0.534 450 HE1 TRP 57 HE1 TRP 57 -12.432 9.375 2.988 451 HE3 TRP 57 HE3 TRP 57 -17.544 9.894 1.526 452 HZ2 TRP 57 HZ2 TRP 57 -14.056 10.319 5.072 453 HZ3 TRP 57 HZ3 TRP 57 -18.113 10.706 3.786 454 HH2 TRP 57 HH2 TRP 57 -16.402 10.909 5.525 455 H THR 58 H THR 58 -13.732 11.835 -0.578 456 HA THR 58 HA THR 58 -15.948 13.562 0.260 457 HB THR 58 HB THR 58 -14.134 14.961 1.279 458 HG1 THR 58 HG1 THR 58 -12.184 13.041 0.898 459 HG21 THR 58 HG21 THR 58 -13.887 12.021 1.957 460 HG22 THR 58 HG22 THR 58 -15.148 13.097 2.561 461 HG23 THR 58 HG23 THR 58 -13.466 13.378 2.998 462 H GLN 59 H GLN 59 -13.428 13.365 -2.130 463 HA GLN 59 HA GLN 59 -13.352 16.089 -2.967 464 HB2 GLN 59 HB2 GLN 59 -12.412 13.603 -4.476 465 HB3 GLN 59 HB3 GLN 59 -11.913 15.264 -4.797 466 HG2 GLN 59 HG2 GLN 59 -11.311 13.653 -2.294 467 HG3 GLN 59 HG3 GLN 59 -10.173 14.052 -3.579 468 HE21 GLN 59 HE21 GLN 59 -11.932 15.282 -0.813 469 HE22 GLN 59 HE22 GLN 59 -11.057 16.763 -0.664 470 H VAL 60 H VAL 60 -15.109 13.210 -4.081 471 HA VAL 60 HA VAL 60 -16.576 14.593 -6.114 472 HB VAL 60 HB VAL 60 -16.433 12.151 -6.222 473 HG11 VAL 60 HG11 VAL 60 -16.367 11.567 -3.841 474 HG12 VAL 60 HG12 VAL 60 -17.605 10.630 -4.681 475 HG13 VAL 60 HG13 VAL 60 -18.067 12.003 -3.671 476 HG21 VAL 60 HG21 VAL 60 -18.378 13.218 -7.279 477 HG22 VAL 60 HG22 VAL 60 -19.301 13.046 -5.785 478 HG23 VAL 60 HG23 VAL 60 -18.803 11.610 -6.683 479 H GLN 61 H GLN 61 -17.865 16.246 -5.683 480 HA GLN 61 HA GLN 61 -18.504 17.053 -3.042 481 HB2 GLN 61 HB2 GLN 61 -19.550 19.008 -4.065 482 HB3 GLN 61 HB3 GLN 61 -18.017 18.658 -4.853 483 HG2 GLN 61 HG2 GLN 61 -19.240 17.606 -6.741 484 HG3 GLN 61 HG3 GLN 61 -20.770 17.991 -5.956 485 HE21 GLN 61 HE21 GLN 61 -21.425 20.187 -5.840 486 HE22 GLN 61 HE22 GLN 61 -20.745 21.384 -6.887 487 H ASP 62 H ASP 62 -20.083 14.841 -4.996 488 HA ASP 62 HA ASP 62 -22.806 15.174 -4.521 489 HB2 ASP 62 HB2 ASP 62 -21.858 13.546 -6.130 490 HB3 ASP 62 HB3 ASP 62 -21.206 12.593 -4.803 491 H VAL 63 H VAL 63 -20.282 13.887 -2.391 492 HA VAL 63 HA VAL 63 -21.954 12.703 -0.418 493 HB VAL 63 HB VAL 63 -19.531 12.159 -0.609 494 HG11 VAL 63 HG11 VAL 63 -17.789 13.661 0.268 495 HG12 VAL 63 HG12 VAL 63 -18.999 14.909 0.562 496 HG13 VAL 63 HG13 VAL 63 -18.636 14.408 -1.091 497 HG21 VAL 63 HG21 VAL 63 -20.711 11.639 1.503 498 HG22 VAL 63 HG22 VAL 63 -20.271 13.226 2.140 499 HG23 VAL 63 HG23 VAL 63 -19.013 12.036 1.802 500 H VAL 64 H VAL 64 -22.697 13.523 1.576 501 HA VAL 64 HA VAL 64 -23.189 16.413 1.600 502 HB VAL 64 HB VAL 64 -24.419 14.317 3.454 503 HG11 VAL 64 HG11 VAL 64 -26.174 16.050 3.836 504 HG12 VAL 64 HG12 VAL 64 -25.281 17.174 2.809 505 HG13 VAL 64 HG13 VAL 64 -24.579 16.621 4.332 506 HG21 VAL 64 HG21 VAL 64 -24.983 13.752 1.125 507 HG22 VAL 64 HG22 VAL 64 -25.546 15.398 0.832 508 HG23 VAL 64 HG23 VAL 64 -26.411 14.358 1.967 509 H LEU 65 H LEU 65 -21.044 16.981 2.151 510 HA LEU 65 HA LEU 65 -20.493 16.887 5.062 511 HB2 LEU 65 HB2 LEU 65 -18.494 16.908 2.749 512 HB3 LEU 65 HB3 LEU 65 -18.051 17.164 4.429 513 HG LEU 65 HG LEU 65 -19.302 14.585 3.395 514 HD11 LEU 65 HD11 LEU 65 -17.061 13.592 3.506 515 HD12 LEU 65 HD12 LEU 65 -16.366 15.164 3.917 516 HD13 LEU 65 HD13 LEU 65 -17.116 14.912 2.338 517 HD21 LEU 65 HD21 LEU 65 -19.674 14.953 5.783 518 HD22 LEU 65 HD22 LEU 65 -17.952 15.246 6.033 519 HD23 LEU 65 HD23 LEU 65 -18.516 13.642 5.548 520 H THR 66 H THR 66 -19.414 18.888 5.825 521 HA THR 66 HA THR 66 -20.462 21.282 4.632 522 HB THR 66 HB THR 66 -19.244 22.484 6.404 523 HG1 THR 66 HG1 THR 66 -17.692 21.548 7.568 524 HG21 THR 66 HG21 THR 66 -20.485 19.951 7.542 525 HG22 THR 66 HG22 THR 66 -21.384 21.391 7.057 526 HG23 THR 66 HG23 THR 66 -20.243 21.475 8.400 527 H ALA 67 H ALA 67 -19.169 23.064 3.796 528 HA ALA 67 HA ALA 67 -17.297 22.382 1.826 529 HB1 ALA 67 HB1 ALA 67 -16.901 24.806 1.601 530 HB2 ALA 67 HB2 ALA 67 -17.711 25.087 3.147 531 HB3 ALA 67 HB3 ALA 67 -18.621 24.452 1.775 532 H ASP 68 H ASP 68 -16.785 23.725 5.086 533 HA ASP 68 HA ASP 68 -14.046 23.871 5.273 534 HB2 ASP 68 HB2 ASP 68 -15.522 24.601 7.098 535 HB3 ASP 68 HB3 ASP 68 -15.968 22.934 7.439 536 H GLN 69 H GLN 69 -15.990 20.959 5.987 537 HA GLN 69 HA GLN 69 -13.882 19.166 6.597 538 HB2 GLN 69 HB2 GLN 69 -16.665 18.619 5.490 539 HB3 GLN 69 HB3 GLN 69 -15.537 17.319 5.874 540 HG2 GLN 69 HG2 GLN 69 -15.462 18.054 8.213 541 HG3 GLN 69 HG3 GLN 69 -16.579 19.367 7.850 542 HE21 GLN 69 HE21 GLN 69 -18.768 18.874 7.490 543 HE22 GLN 69 HE22 GLN 69 -19.449 17.344 7.912 544 H LYS 70 H LYS 70 -15.594 19.662 3.556 545 HA LYS 70 HA LYS 70 -14.112 17.904 1.919 546 HB2 LYS 70 HB2 LYS 70 -15.897 20.287 1.343 547 HB3 LYS 70 HB3 LYS 70 -15.123 19.382 0.041 548 HG2 LYS 70 HG2 LYS 70 -16.291 17.369 0.613 549 HG3 LYS 70 HG3 LYS 70 -16.894 18.065 2.119 550 HD2 LYS 70 HD2 LYS 70 -18.490 19.393 1.038 551 HD3 LYS 70 HD3 LYS 70 -17.644 19.353 -0.516 552 HE2 LYS 70 HE2 LYS 70 -18.269 16.969 -0.750 553 HE3 LYS 70 HE3 LYS 70 -19.140 17.059 0.784 554 HZ1 LYS 70 HZ1 LYS 70 -20.641 17.318 -1.052 555 HZ2 LYS 70 HZ2 LYS 70 -19.744 18.612 -1.664 556 HZ3 LYS 70 HZ3 LYS 70 -20.546 18.769 -0.192 557 H ALA 71 H ALA 71 -13.237 20.996 3.163 558 HA ALA 71 HA ALA 71 -11.449 21.748 0.939 559 HB1 ALA 71 HB1 ALA 71 -11.009 23.797 2.278 560 HB2 ALA 71 HB2 ALA 71 -12.028 23.167 3.577 561 HB3 ALA 71 HB3 ALA 71 -12.739 23.563 2.013 562 H THR 72 H THR 72 -11.335 21.108 4.397 563 HA THR 72 HA THR 72 -8.682 20.617 4.929 564 HB THR 72 HB THR 72 -10.890 18.798 6.014 565 HG1 THR 72 HG1 THR 72 -11.722 20.509 6.911 566 HG21 THR 72 HG21 THR 72 -9.505 18.777 8.058 567 HG22 THR 72 HG22 THR 72 -8.320 19.826 7.280 568 HG23 THR 72 HG23 THR 72 -8.576 18.184 6.679 569 H TRP 73 H TRP 73 -10.981 18.369 3.408 570 HA TRP 73 HA TRP 73 -9.096 16.211 3.038 571 HB2 TRP 73 HB2 TRP 73 -11.915 16.723 2.048 572 HB3 TRP 73 HB3 TRP 73 -10.993 15.331 1.503 573 HD1 TRP 73 HD1 TRP 73 -13.111 16.497 4.409 574 HE1 TRP 73 HE1 TRP 73 -13.319 14.603 6.115 575 HE3 TRP 73 HE3 TRP 73 -9.531 13.348 2.557 576 HZ2 TRP 73 HZ2 TRP 73 -12.143 12.103 6.616 577 HZ3 TRP 73 HZ3 TRP 73 -9.147 11.215 3.716 578 HH2 TRP 73 HH2 TRP 73 -10.427 10.607 5.708 579 H ALA 74 H ALA 74 -10.283 18.891 1.041 580 HA ALA 74 HA ALA 74 -8.988 18.114 -1.404 581 HB1 ALA 74 HB1 ALA 74 -9.454 20.411 -2.158 582 HB2 ALA 74 HB2 ALA 74 -9.880 20.880 -0.507 583 HB3 ALA 74 HB3 ALA 74 -10.874 19.711 -1.375 584 H LYS 75 H LYS 75 -7.992 19.646 1.515 585 HA LYS 75 HA LYS 75 -5.466 20.703 0.549 586 HB2 LYS 75 HB2 LYS 75 -6.549 21.889 2.399 587 HB3 LYS 75 HB3 LYS 75 -6.644 20.411 3.347 588 HG2 LYS 75 HG2 LYS 75 -4.204 20.358 3.574 589 HG3 LYS 75 HG3 LYS 75 -4.055 21.790 2.557 590 HD2 LYS 75 HD2 LYS 75 -5.465 21.695 5.252 591 HD3 LYS 75 HD3 LYS 75 -3.820 22.277 4.985 592 HE2 LYS 75 HE2 LYS 75 -6.354 23.493 3.830 593 HE3 LYS 75 HE3 LYS 75 -5.380 24.158 5.139 594 HZ1 LYS 75 HZ1 LYS 75 -4.532 23.817 2.315 595 HZ2 LYS 75 HZ2 LYS 75 -3.524 24.348 3.562 596 HZ3 LYS 75 HZ3 LYS 75 -4.863 25.273 3.108 597 H TYR 76 H TYR 76 -6.776 17.867 2.180 598 HA TYR 76 HA TYR 76 -4.476 16.614 3.122 599 HB2 TYR 76 HB2 TYR 76 -6.746 15.805 3.663 600 HB3 TYR 76 HB3 TYR 76 -7.004 15.321 1.989 601 HD1 TYR 76 HD2 TYR 76 -4.580 14.734 4.797 602 HD2 TYR 76 HD1 TYR 76 -6.650 13.029 1.470 603 HE1 TYR 76 HE2 TYR 76 -3.603 12.553 5.301 604 HE2 TYR 76 HE1 TYR 76 -5.653 10.840 1.975 605 HH TYR 76 HH TYR 76 -3.933 10.241 4.919 606 H ARG 77 H ARG 77 -6.090 16.204 -0.046 607 HA ARG 77 HA ARG 77 -4.171 14.539 -1.300 608 HB2 ARG 77 HB2 ARG 77 -6.202 16.499 -2.411 609 HB3 ARG 77 HB3 ARG 77 -5.076 15.670 -3.483 610 HG2 ARG 77 HG2 ARG 77 -5.980 13.483 -2.587 611 HG3 ARG 77 HG3 ARG 77 -7.240 14.411 -1.765 612 HD2 ARG 77 HD2 ARG 77 -8.214 15.108 -3.806 613 HD3 ARG 77 HD3 ARG 77 -6.758 14.745 -4.737 614 HE ARG 77 HE ARG 77 -7.876 12.391 -3.573 615 HH11 ARG 77 HH11 ARG 77 -8.450 14.649 -6.198 616 HH12 ARG 77 HH12 ARG 77 -9.066 13.438 -7.270 617 HH21 ARG 77 HH21 ARG 77 -8.639 10.805 -4.999 618 HH22 ARG 77 HH22 ARG 77 -9.207 11.252 -6.574 619 H GLN 78 H GLN 78 -4.615 18.079 -1.393 620 HA GLN 78 HA GLN 78 -2.535 18.611 -3.180 621 HB2 GLN 78 HB2 GLN 78 -4.560 20.085 -2.632 622 HB3 GLN 78 HB3 GLN 78 -3.708 20.587 -1.178 623 HG2 GLN 78 HG2 GLN 78 -3.395 22.261 -2.892 624 HG3 GLN 78 HG3 GLN 78 -1.850 21.450 -2.612 625 HE21 GLN 78 HE21 GLN 78 -1.214 19.780 -4.177 626 HE22 GLN 78 HE22 GLN 78 -1.684 19.963 -5.830 627 H ALA 79 H ALA 79 -2.466 18.103 0.271 628 HA ALA 79 HA ALA 79 0.076 19.424 0.763 629 HB1 ALA 79 HB1 ALA 79 -0.107 18.455 3.024 630 HB2 ALA 79 HB2 ALA 79 -1.484 17.478 2.505 631 HB3 ALA 79 HB3 ALA 79 -1.619 19.235 2.546 632 H LEU 80 H LEU 80 -1.061 16.098 0.280 633 HA LEU 80 HA LEU 80 1.376 14.689 0.417 634 HB2 LEU 80 HB2 LEU 80 -1.178 14.237 -1.158 635 HB3 LEU 80 HB3 LEU 80 0.133 13.074 -1.161 636 HG LEU 80 HG LEU 80 -0.882 13.870 1.549 637 HD11 LEU 80 HD11 LEU 80 -2.550 12.078 -0.230 638 HD12 LEU 80 HD12 LEU 80 -2.998 13.687 0.337 639 HD13 LEU 80 HD13 LEU 80 -2.791 12.377 1.495 640 HD21 LEU 80 HD21 LEU 80 -0.511 11.506 2.039 641 HD22 LEU 80 HD22 LEU 80 0.909 12.199 1.265 642 HD23 LEU 80 HD23 LEU 80 -0.186 11.176 0.333 643 H ARG 81 H ARG 81 -0.181 16.467 -2.212 644 HA ARG 81 HA ARG 81 1.845 15.882 -4.193 645 HB2 ARG 81 HB2 ARG 81 -0.410 17.929 -4.243 646 HB3 ARG 81 HB3 ARG 81 0.579 17.456 -5.629 647 HG2 ARG 81 HG2 ARG 81 -0.298 15.092 -5.332 648 HG3 ARG 81 HG3 ARG 81 -1.414 15.727 -4.117 649 HD2 ARG 81 HD2 ARG 81 -2.557 15.532 -6.254 650 HD3 ARG 81 HD3 ARG 81 -2.373 17.244 -5.859 651 HE ARG 81 HE ARG 81 -0.293 17.060 -7.367 652 HH11 ARG 81 HH11 ARG 81 -3.280 15.298 -7.967 653 HH12 ARG 81 HH12 ARG 81 -3.014 15.217 -9.675 654 HH21 ARG 81 HH21 ARG 81 0.044 16.927 -9.592 655 HH22 ARG 81 HH22 ARG 81 -1.129 16.135 -10.594 656 H ASP 82 H ASP 82 1.278 18.366 -1.816 657 HA ASP 82 HA ASP 82 3.028 20.401 -2.811 658 HB2 ASP 82 HB2 ASP 82 1.260 20.818 -1.092 659 HB3 ASP 82 HB3 ASP 82 2.155 19.835 0.060 660 H LEU 83 H LEU 83 3.418 17.622 -0.654 661 HA LEU 83 HA LEU 83 6.251 17.758 -0.397 662 HB2 LEU 83 HB2 LEU 83 4.328 15.397 -0.375 663 HB3 LEU 83 HB3 LEU 83 6.031 15.276 0.047 664 HG LEU 83 HG LEU 83 3.993 16.965 1.562 665 HD11 LEU 83 HD11 LEU 83 3.490 14.586 1.813 666 HD12 LEU 83 HD12 LEU 83 4.101 15.265 3.317 667 HD13 LEU 83 HD13 LEU 83 5.151 14.262 2.312 668 HD21 LEU 83 HD21 LEU 83 6.879 16.293 2.246 669 HD22 LEU 83 HD22 LEU 83 5.752 17.175 3.282 670 HD23 LEU 83 HD23 LEU 83 6.262 17.872 1.746 671 HA PRO 84 HA PRO 84 7.234 17.107 -4.819 672 HB2 PRO 84 HB2 PRO 84 9.755 15.979 -3.561 673 HB3 PRO 84 HB3 PRO 84 9.582 17.124 -4.903 674 HG2 PRO 84 HG2 PRO 84 10.260 18.010 -2.484 675 HG3 PRO 84 HG3 PRO 84 9.113 18.927 -3.483 676 HD2 PRO 84 HD2 PRO 84 8.565 17.172 -1.100 677 HD3 PRO 84 HD3 PRO 84 7.784 18.695 -1.591 678 H GLU 85 H GLU 85 6.323 15.425 -5.888 679 HA GLU 85 HA GLU 85 5.940 12.835 -4.834 680 HB2 GLU 85 HB2 GLU 85 5.828 13.766 -7.730 681 HB3 GLU 85 HB3 GLU 85 5.267 12.196 -7.155 682 HG2 GLU 85 HG2 GLU 85 3.647 13.414 -5.653 683 HG3 GLU 85 HG3 GLU 85 4.139 14.917 -6.428 684 H THR 86 H THR 86 7.646 11.757 -4.187 685 HA THR 86 HA THR 86 10.274 12.146 -5.071 686 HB THR 86 HB THR 86 10.716 10.094 -3.530 687 HG1 THR 86 HG1 THR 86 8.724 9.106 -3.542 688 HG21 THR 86 HG21 THR 86 9.191 12.459 -2.367 689 HG22 THR 86 HG22 THR 86 10.922 12.432 -2.720 690 HG23 THR 86 HG23 THR 86 10.257 11.375 -1.472 691 H VAL 87 H VAL 87 11.016 11.522 -6.983 692 HA VAL 87 HA VAL 87 10.173 9.103 -8.341 693 HB VAL 87 HB VAL 87 10.671 11.064 -9.708 694 HG11 VAL 87 HG11 VAL 87 12.329 12.212 -8.301 695 HG12 VAL 87 HG12 VAL 87 12.919 12.051 -9.954 696 HG13 VAL 87 HG13 VAL 87 13.537 10.986 -8.690 697 HG21 VAL 87 HG21 VAL 87 12.752 8.898 -10.195 698 HG22 VAL 87 HG22 VAL 87 12.200 10.080 -11.385 699 HG23 VAL 87 HG23 VAL 87 11.076 8.873 -10.754 700 H THR 88 H THR 88 11.220 7.154 -8.281 701 HA THR 88 HA THR 88 12.395 5.450 -7.362 702 HB THR 88 HB THR 88 14.760 7.386 -7.536 703 HG1 THR 88 HG1 THR 88 13.832 7.123 -9.556 704 HG21 THR 88 HG21 THR 88 15.298 5.390 -6.147 705 HG22 THR 88 HG22 THR 88 16.178 5.370 -7.672 706 HG23 THR 88 HG23 THR 88 14.765 4.335 -7.465 707 H ASP 89 H ASP 89 11.250 5.405 -5.462 708 HA ASP 89 HA ASP 89 11.448 7.429 -3.450 709 HB2 ASP 89 HB2 ASP 89 9.871 4.819 -3.426 710 HB3 ASP 89 HB3 ASP 89 9.646 6.177 -2.329 711 H LEU 90 H LEU 90 13.560 7.261 -2.663 712 HA LEU 90 HA LEU 90 14.170 4.933 -0.925 713 HB2 LEU 90 HB2 LEU 90 16.161 6.676 -2.441 714 HB3 LEU 90 HB3 LEU 90 16.557 5.297 -1.426 715 HG LEU 90 HG LEU 90 15.094 5.214 -4.100 716 HD11 LEU 90 HD11 LEU 90 17.055 4.000 -4.925 717 HD12 LEU 90 HD12 LEU 90 17.859 4.203 -3.366 718 HD13 LEU 90 HD13 LEU 90 17.480 5.613 -4.359 719 HD21 LEU 90 HD21 LEU 90 15.123 2.764 -3.921 720 HD22 LEU 90 HD22 LEU 90 14.175 3.495 -2.630 721 HD23 LEU 90 HD23 LEU 90 15.793 2.880 -2.291 722 H SER 91 H SER 91 12.683 7.266 -0.218 723 HA SER 91 HA SER 91 14.313 8.231 2.030 724 HB2 SER 91 HB2 SER 91 13.405 10.559 1.688 725 HB3 SER 91 HB3 SER 91 14.494 10.042 0.404 726 HG SER 91 HG SER 91 11.648 10.045 0.300 727 H GLN 92 H GLN 92 13.183 8.223 3.905 728 HA GLN 92 HA GLN 92 10.721 6.880 4.154 729 HB2 GLN 92 HB2 GLN 92 12.369 6.932 5.982 730 HB3 GLN 92 HB3 GLN 92 12.173 8.673 6.150 731 HG2 GLN 92 HG2 GLN 92 9.881 8.378 6.938 732 HG3 GLN 92 HG3 GLN 92 9.983 6.635 6.688 733 HE21 GLN 92 HE21 GLN 92 11.200 5.388 8.139 734 HE22 GLN 92 HE22 GLN 92 11.710 5.992 9.674 735 H ILE 93 H ILE 93 8.895 7.670 3.320 736 HA ILE 93 HA ILE 93 8.270 10.457 3.108 737 HB ILE 93 HB ILE 93 5.896 9.487 2.387 738 HG12 ILE 93 HG12 ILE 93 6.058 7.186 1.371 739 HG13 ILE 93 HG13 ILE 93 7.590 6.946 2.193 740 HG21 ILE 93 HG21 ILE 93 6.721 9.148 0.084 741 HG22 ILE 93 HG22 ILE 93 8.376 9.008 0.687 742 HG23 ILE 93 HG23 ILE 93 7.505 10.535 0.851 743 HD11 ILE 93 HD11 ILE 93 4.919 7.320 3.535 744 HD12 ILE 93 HD12 ILE 93 6.457 6.957 4.325 745 HD13 ILE 93 HD13 ILE 93 5.727 5.785 3.233 746 H VAL 94 H VAL 94 7.470 11.731 4.656 747 HA VAL 94 HA VAL 94 5.519 10.643 6.598 748 HB VAL 94 HB VAL 94 7.466 12.978 6.969 749 HG11 VAL 94 HG11 VAL 94 6.597 13.136 9.286 750 HG12 VAL 94 HG12 VAL 94 5.404 11.884 8.936 751 HG13 VAL 94 HG13 VAL 94 5.319 13.440 8.104 752 HG21 VAL 94 HG21 VAL 94 8.528 11.595 8.738 753 HG22 VAL 94 HG22 VAL 94 8.632 10.812 7.161 754 HG23 VAL 94 HG23 VAL 94 7.447 10.257 8.346 755 H TRP 95 H TRP 95 3.590 11.336 6.110 756 HA TRP 95 HA TRP 95 3.068 13.946 4.870 757 HB2 TRP 95 HB2 TRP 95 1.400 12.671 3.337 758 HB3 TRP 95 HB3 TRP 95 3.099 12.659 2.914 759 HD1 TRP 95 HD1 TRP 95 1.426 10.175 5.425 760 HE1 TRP 95 HE1 TRP 95 1.706 7.814 4.439 761 HE3 TRP 95 HE3 TRP 95 3.500 11.395 0.907 762 HZ2 TRP 95 HZ2 TRP 95 2.655 6.633 2.085 763 HZ3 TRP 95 HZ3 TRP 95 4.045 9.583 -0.665 764 HH2 TRP 95 HH2 TRP 95 3.624 7.245 -0.079 765 HA PRO 96 HA PRO 96 -0.462 14.388 7.558 766 HB2 PRO 96 HB2 PRO 96 -2.251 14.467 5.119 767 HB3 PRO 96 HB3 PRO 96 -2.181 15.574 6.500 768 HG2 PRO 96 HG2 PRO 96 -1.087 16.249 4.152 769 HG3 PRO 96 HG3 PRO 96 -0.290 16.680 5.681 770 HD2 PRO 96 HD2 PRO 96 0.416 14.534 3.708 771 HD3 PRO 96 HD3 PRO 96 1.478 15.530 4.729 772 H GLN 97 H GLN 97 -1.429 12.836 8.721 773 HA GLN 97 HA GLN 97 -2.806 10.529 7.580 774 HB2 GLN 97 HB2 GLN 97 -1.790 10.442 9.878 775 HB3 GLN 97 HB3 GLN 97 -2.908 11.694 10.410 776 HG2 GLN 97 HG2 GLN 97 -4.807 10.144 9.911 777 HG3 GLN 97 HG3 GLN 97 -3.635 8.890 9.502 778 HE21 GLN 97 HE21 GLN 97 -4.314 7.505 11.136 779 HE22 GLN 97 HE22 GLN 97 -4.040 7.814 12.814 780 H LEU 98 H LEU 98 -5.118 10.377 7.466 781 HA LEU 98 HA LEU 98 -6.399 12.687 6.540 782 HB2 LEU 98 HB2 LEU 98 -8.504 11.219 6.582 783 HB3 LEU 98 HB3 LEU 98 -7.155 10.697 5.601 784 HG LEU 98 HG LEU 98 -6.556 9.077 7.475 785 HD11 LEU 98 HD11 LEU 98 -7.758 10.011 9.350 786 HD12 LEU 98 HD12 LEU 98 -8.364 8.388 9.026 787 HD13 LEU 98 HD13 LEU 98 -9.305 9.803 8.522 788 HD21 LEU 98 HD21 LEU 98 -9.225 8.653 6.098 789 HD22 LEU 98 HD22 LEU 98 -8.187 7.388 6.765 790 HD23 LEU 98 HD23 LEU 98 -7.633 8.346 5.393 791 HA PRO 99 HA PRO 99 -7.792 14.841 10.126 792 HB2 PRO 99 HB2 PRO 99 -10.090 16.069 9.202 793 HB3 PRO 99 HB3 PRO 99 -8.458 16.576 8.755 794 HG2 PRO 99 HG2 PRO 99 -10.372 14.810 7.229 795 HG3 PRO 99 HG3 PRO 99 -9.374 16.153 6.628 796 HD2 PRO 99 HD2 PRO 99 -8.622 13.578 6.287 797 HD3 PRO 99 HD3 PRO 99 -7.423 14.855 6.600 798 H VAL 100 H VAL 100 -10.318 12.883 8.572 799 HA VAL 100 HA VAL 100 -11.928 12.805 11.045 800 HB VAL 100 HB VAL 100 -12.709 11.981 8.209 801 HG11 VAL 100 HG11 VAL 100 -14.061 10.829 9.915 802 HG12 VAL 100 HG12 VAL 100 -15.049 12.006 9.053 803 HG13 VAL 100 HG13 VAL 100 -14.463 12.367 10.679 804 HG21 VAL 100 HG21 VAL 100 -13.998 14.117 8.106 805 HG22 VAL 100 HG22 VAL 100 -12.271 14.413 8.291 806 HG23 VAL 100 HG23 VAL 100 -13.347 14.585 9.680 Start of MODEL 2 1 H MET 1 H MET 1 4.778 -6.477 6.052 2 HA MET 1 HA MET 1 5.490 -5.254 4.140 3 HB2 MET 1 HB2 MET 1 6.856 -3.562 5.350 4 HB3 MET 1 HB3 MET 1 8.050 -4.792 5.732 5 HG2 MET 1 HG2 MET 1 7.374 -3.899 2.914 6 HG3 MET 1 HG3 MET 1 8.705 -3.257 3.875 7 HE1 MET 1 HE1 MET 1 10.532 -5.467 1.157 8 HE2 MET 1 HE2 MET 1 10.574 -3.911 1.981 9 HE3 MET 1 HE3 MET 1 9.173 -4.345 1.000 10 H LEU 2 H LEU 2 5.812 -6.804 2.702 11 HA LEU 2 HA LEU 2 7.862 -8.900 3.147 12 HB2 LEU 2 HB2 LEU 2 6.414 -10.367 1.632 13 HB3 LEU 2 HB3 LEU 2 5.817 -10.063 3.250 14 HG LEU 2 HG LEU 2 4.291 -8.281 2.217 15 HD11 LEU 2 HD11 LEU 2 4.980 -9.653 -0.387 16 HD12 LEU 2 HD12 LEU 2 5.301 -7.971 0.036 17 HD13 LEU 2 HD13 LEU 2 3.640 -8.530 -0.132 18 HD21 LEU 2 HD21 LEU 2 3.469 -10.442 3.033 19 HD22 LEU 2 HD22 LEU 2 3.798 -11.178 1.458 20 HD23 LEU 2 HD23 LEU 2 2.569 -9.913 1.611 21 H LEU 3 H LEU 3 9.161 -9.463 1.356 22 HA LEU 3 HA LEU 3 9.576 -7.602 -0.721 23 HB2 LEU 3 HB2 LEU 3 10.399 -10.539 -0.737 24 HB3 LEU 3 HB3 LEU 3 11.199 -9.199 -1.552 25 HG LEU 3 HG LEU 3 11.114 -9.644 1.465 26 HD11 LEU 3 HD11 LEU 3 13.429 -10.009 -0.461 27 HD12 LEU 3 HD12 LEU 3 12.544 -11.292 0.371 28 HD13 LEU 3 HD13 LEU 3 13.507 -10.146 1.300 29 HD21 LEU 3 HD21 LEU 3 12.524 -7.492 -0.142 30 HD22 LEU 3 HD22 LEU 3 12.746 -7.784 1.581 31 HD23 LEU 3 HD23 LEU 3 11.177 -7.268 0.978 32 H HIS 4 H HIS 4 7.722 -7.238 -1.987 33 HA HIS 4 HA HIS 4 5.858 -8.814 -3.095 34 HB2 HIS 4 HB2 HIS 4 6.035 -6.374 -3.489 35 HB3 HIS 4 HB3 HIS 4 7.413 -6.630 -4.549 36 HD1 HIS 4 HD1 HIS 4 3.723 -6.549 -4.518 37 HD2 HIS 4 HD2 HIS 4 6.715 -7.843 -7.099 38 HE1 HIS 4 HE1 HIS 4 2.600 -6.882 -6.738 39 HE2 HIS 4 HE2 HIS 4 4.400 -7.802 -8.243 40 H SER 5 H SER 5 9.209 -8.694 -4.165 41 HA SER 5 HA SER 5 8.977 -11.241 -5.522 42 HB2 SER 5 HB2 SER 5 10.008 -10.276 -7.670 43 HB3 SER 5 HB3 SER 5 8.317 -9.859 -7.382 44 HG SER 5 HG SER 5 9.875 -8.131 -8.017 45 H VAL 6 H VAL 6 10.745 -12.356 -5.000 46 HA VAL 6 HA VAL 6 13.370 -11.047 -4.796 47 HB VAL 6 HB VAL 6 12.516 -11.252 -2.438 48 HG11 VAL 6 HG11 VAL 6 11.073 -13.218 -2.709 49 HG12 VAL 6 HG12 VAL 6 12.194 -13.438 -1.366 50 HG13 VAL 6 HG13 VAL 6 12.490 -14.252 -2.906 51 HG21 VAL 6 HG21 VAL 6 14.890 -13.081 -3.020 52 HG22 VAL 6 HG22 VAL 6 14.507 -12.365 -1.449 53 HG23 VAL 6 HG23 VAL 6 14.953 -11.326 -2.805 54 H GLU 7 H GLU 7 15.009 -12.318 -5.570 55 HA GLU 7 HA GLU 7 14.251 -14.850 -6.851 56 HB2 GLU 7 HB2 GLU 7 15.384 -13.052 -8.215 57 HB3 GLU 7 HB3 GLU 7 16.821 -13.247 -7.212 58 HG2 GLU 7 HG2 GLU 7 16.968 -15.626 -7.940 59 HG3 GLU 7 HG3 GLU 7 15.561 -15.369 -8.976 60 H THR 8 H THR 8 15.185 -16.733 -6.318 61 HA THR 8 HA THR 8 17.067 -16.929 -4.043 62 HB THR 8 HB THR 8 15.781 -19.007 -3.379 63 HG1 THR 8 HG1 THR 8 14.016 -18.100 -5.432 64 HG21 THR 8 HG21 THR 8 13.812 -17.848 -2.397 65 HG22 THR 8 HG22 THR 8 14.124 -16.452 -3.433 66 HG23 THR 8 HG23 THR 8 15.293 -16.918 -2.200 67 HA PRO 9 HA PRO 9 19.393 -19.937 -6.622 68 HB2 PRO 9 HB2 PRO 9 19.255 -21.811 -4.262 69 HB3 PRO 9 HB3 PRO 9 20.658 -21.294 -5.212 70 HG2 PRO 9 HG2 PRO 9 20.268 -20.254 -2.797 71 HG3 PRO 9 HG3 PRO 9 20.788 -19.202 -4.132 72 HD2 PRO 9 HD2 PRO 9 18.029 -19.529 -2.939 73 HD3 PRO 9 HD3 PRO 9 18.880 -18.044 -3.431 74 H ARG 10 H ARG 10 16.484 -20.912 -4.931 75 HA ARG 10 HA ARG 10 16.059 -23.344 -6.518 76 HB2 ARG 10 HB2 ARG 10 14.110 -23.728 -5.016 77 HB3 ARG 10 HB3 ARG 10 15.606 -23.470 -4.122 78 HG2 ARG 10 HG2 ARG 10 14.905 -21.076 -3.773 79 HG3 ARG 10 HG3 ARG 10 13.351 -21.473 -4.511 80 HD2 ARG 10 HD2 ARG 10 14.475 -22.828 -2.046 81 HD3 ARG 10 HD3 ARG 10 13.362 -21.464 -2.005 82 HE ARG 10 HE ARG 10 12.202 -23.477 -3.561 83 HH11 ARG 10 HH11 ARG 10 13.172 -23.056 -0.194 84 HH12 ARG 10 HH12 ARG 10 11.854 -24.000 0.422 85 HH21 ARG 10 HH21 ARG 10 10.490 -24.706 -2.730 86 HH22 ARG 10 HH22 ARG 10 10.322 -24.928 -1.019 87 H GLY 11 H GLY 11 15.498 -20.169 -7.204 88 HA2 GLY 11 HA2 GLY 11 14.292 -20.067 -9.497 89 HA3 GLY 11 HA3 GLY 11 12.891 -20.607 -8.585 90 H GLU 12 H GLU 12 11.747 -18.667 -9.163 91 HA GLU 12 HA GLU 12 12.579 -16.254 -7.635 92 HB2 GLU 12 HB2 GLU 12 12.162 -15.841 -10.062 93 HB3 GLU 12 HB3 GLU 12 10.533 -16.489 -9.903 94 HG2 GLU 12 HG2 GLU 12 9.970 -14.651 -8.329 95 HG3 GLU 12 HG3 GLU 12 11.600 -14.007 -8.517 96 H ILE 13 H ILE 13 11.181 -15.463 -6.069 97 HA ILE 13 HA ILE 13 8.815 -17.081 -5.330 98 HB ILE 13 HB ILE 13 10.841 -15.947 -3.324 99 HG12 ILE 13 HG12 ILE 13 11.925 -17.798 -4.569 100 HG13 ILE 13 HG13 ILE 13 11.615 -18.266 -2.904 101 HG21 ILE 13 HG21 ILE 13 8.504 -17.857 -2.908 102 HG22 ILE 13 HG22 ILE 13 8.546 -16.154 -2.455 103 HG23 ILE 13 HG23 ILE 13 9.620 -17.303 -1.660 104 HD11 ILE 13 HD11 ILE 13 11.188 -20.090 -4.412 105 HD12 ILE 13 HD12 ILE 13 10.038 -19.115 -5.329 106 HD13 ILE 13 HD13 ILE 13 9.675 -19.580 -3.660 107 H LEU 14 H LEU 14 7.060 -15.804 -5.119 108 HA LEU 14 HA LEU 14 7.381 -12.862 -5.122 109 HB2 LEU 14 HB2 LEU 14 5.037 -14.594 -6.006 110 HB3 LEU 14 HB3 LEU 14 5.116 -12.840 -6.145 111 HG LEU 14 HG LEU 14 6.906 -14.818 -7.630 112 HD11 LEU 14 HD11 LEU 14 4.643 -13.103 -8.681 113 HD12 LEU 14 HD12 LEU 14 4.612 -14.856 -8.460 114 HD13 LEU 14 HD13 LEU 14 5.704 -14.141 -9.641 115 HD21 LEU 14 HD21 LEU 14 7.725 -12.854 -8.884 116 HD22 LEU 14 HD22 LEU 14 8.122 -12.757 -7.170 117 HD23 LEU 14 HD23 LEU 14 6.796 -11.790 -7.820 118 H ASN 15 H ASN 15 6.606 -11.680 -3.494 119 HA ASN 15 HA ASN 15 5.522 -10.902 -1.691 120 HB2 ASN 15 HB2 ASN 15 3.425 -12.985 -2.401 121 HB3 ASN 15 HB3 ASN 15 3.177 -11.630 -1.303 122 HD21 ASN 15 HD21 ASN 15 1.858 -12.377 -3.883 123 HD22 ASN 15 HD22 ASN 15 1.995 -10.975 -4.883 124 H VAL 16 H VAL 16 7.311 -11.734 -0.489 125 HA VAL 16 HA VAL 16 6.550 -13.547 1.658 126 HB VAL 16 HB VAL 16 7.462 -15.134 0.048 127 HG11 VAL 16 HG11 VAL 16 8.796 -13.663 -1.376 128 HG12 VAL 16 HG12 VAL 16 9.781 -15.012 -0.803 129 HG13 VAL 16 HG13 VAL 16 9.965 -13.419 -0.067 130 HG21 VAL 16 HG21 VAL 16 9.518 -14.633 2.233 131 HG22 VAL 16 HG22 VAL 16 9.262 -16.156 1.378 132 HG23 VAL 16 HG23 VAL 16 8.001 -15.519 2.435 133 H SER 17 H SER 17 7.530 -12.982 3.562 134 HA SER 17 HA SER 17 8.811 -10.495 3.857 135 HB2 SER 17 HB2 SER 17 9.169 -11.245 6.239 136 HB3 SER 17 HB3 SER 17 7.509 -11.456 5.673 137 HG SER 17 HG SER 17 7.706 -13.503 6.042 138 H GLU 18 H GLU 18 10.955 -10.105 4.865 139 HA GLU 18 HA GLU 18 13.100 -11.209 3.353 140 HB2 GLU 18 HB2 GLU 18 13.294 -9.654 5.980 141 HB3 GLU 18 HB3 GLU 18 14.574 -9.869 4.793 142 HG2 GLU 18 HG2 GLU 18 13.831 -7.663 4.472 143 HG3 GLU 18 HG3 GLU 18 13.085 -8.570 3.167 144 H GLN 19 H GLN 19 11.747 -11.829 6.520 145 HA GLN 19 HA GLN 19 13.762 -13.411 7.686 146 HB2 GLN 19 HB2 GLN 19 10.760 -13.571 8.185 147 HB3 GLN 19 HB3 GLN 19 12.027 -14.109 9.281 148 HG2 GLN 19 HG2 GLN 19 11.483 -11.240 8.465 149 HG3 GLN 19 HG3 GLN 19 11.025 -11.977 9.999 150 HE21 GLN 19 HE21 GLN 19 12.662 -9.646 9.569 151 HE22 GLN 19 HE22 GLN 19 14.215 -9.979 10.243 152 H GLU 20 H GLU 20 10.720 -14.388 6.032 153 HA GLU 20 HA GLU 20 11.253 -17.199 6.164 154 HB2 GLU 20 HB2 GLU 20 8.957 -16.337 6.095 155 HB3 GLU 20 HB3 GLU 20 9.230 -15.641 4.500 156 HG2 GLU 20 HG2 GLU 20 9.424 -17.844 3.506 157 HG3 GLU 20 HG3 GLU 20 9.363 -18.614 5.085 158 H ALA 21 H ALA 21 11.503 -14.804 3.502 159 HA ALA 21 HA ALA 21 12.410 -16.383 1.445 160 HB1 ALA 21 HB1 ALA 21 13.412 -13.593 2.075 161 HB2 ALA 21 HB2 ALA 21 11.939 -13.987 1.189 162 HB3 ALA 21 HB3 ALA 21 13.515 -14.402 0.508 163 H ARG 22 H ARG 22 14.495 -14.936 4.002 164 HA ARG 22 HA ARG 22 16.941 -16.082 3.058 165 HB2 ARG 22 HB2 ARG 22 16.175 -15.051 5.818 166 HB3 ARG 22 HB3 ARG 22 17.806 -15.566 5.390 167 HG2 ARG 22 HG2 ARG 22 17.829 -13.785 3.627 168 HG3 ARG 22 HG3 ARG 22 16.270 -13.229 4.237 169 HD2 ARG 22 HD2 ARG 22 18.092 -11.872 5.147 170 HD3 ARG 22 HD3 ARG 22 17.293 -12.768 6.441 171 HE ARG 22 HE ARG 22 19.251 -14.429 6.006 172 HH11 ARG 22 HH11 ARG 22 19.580 -10.917 5.995 173 HH12 ARG 22 HH12 ARG 22 21.266 -10.973 6.401 174 HH21 ARG 22 HH21 ARG 22 21.425 -14.466 6.541 175 HH22 ARG 22 HH22 ARG 22 22.303 -12.980 6.733 176 H ASP 23 H ASP 23 14.501 -17.138 5.421 177 HA ASP 23 HA ASP 23 16.206 -19.147 6.640 178 HB2 ASP 23 HB2 ASP 23 14.601 -17.856 8.003 179 HB3 ASP 23 HB3 ASP 23 13.251 -18.477 7.055 180 H VAL 24 H VAL 24 13.054 -19.324 4.957 181 HA VAL 24 HA VAL 24 13.168 -22.209 4.717 182 HB VAL 24 HB VAL 24 11.082 -20.265 3.611 183 HG11 VAL 24 HG11 VAL 24 10.885 -23.273 4.072 184 HG12 VAL 24 HG12 VAL 24 10.963 -22.467 2.504 185 HG13 VAL 24 HG13 VAL 24 9.563 -22.223 3.545 186 HG21 VAL 24 HG21 VAL 24 11.270 -20.022 6.052 187 HG22 VAL 24 HG22 VAL 24 11.078 -21.764 6.266 188 HG23 VAL 24 HG23 VAL 24 9.742 -20.801 5.629 189 H PHE 25 H PHE 25 13.213 -19.429 2.474 190 HA PHE 25 HA PHE 25 13.479 -21.179 0.138 191 HB2 PHE 25 HB2 PHE 25 13.179 -18.153 0.343 192 HB3 PHE 25 HB3 PHE 25 13.208 -19.061 -1.168 193 HD1 PHE 25 HD1 PHE 25 11.428 -20.942 -1.452 194 HD2 PHE 25 HD2 PHE 25 11.068 -17.793 1.426 195 HE1 PHE 25 HE1 PHE 25 9.009 -21.348 -1.303 196 HE2 PHE 25 HE2 PHE 25 8.651 -18.217 1.568 197 HZ PHE 25 HZ PHE 25 7.622 -19.992 0.212 198 H GLY 26 H GLY 26 15.613 -19.571 2.237 199 HA2 GLY 26 HA2 GLY 26 17.890 -19.470 2.287 200 HA3 GLY 26 HA3 GLY 26 17.887 -20.656 0.984 201 H ALA 27 H ALA 27 16.609 -17.356 0.971 202 HA ALA 27 HA ALA 27 17.844 -16.678 -1.528 203 HB1 ALA 27 HB1 ALA 27 16.373 -14.895 0.445 204 HB2 ALA 27 HB2 ALA 27 15.620 -15.800 -0.862 205 HB3 ALA 27 HB3 ALA 27 16.751 -14.502 -1.236 206 H SER 28 H SER 28 19.241 -14.833 -1.838 207 HA SER 28 HA SER 28 21.458 -14.779 0.072 208 HB2 SER 28 HB2 SER 28 21.214 -13.595 -2.730 209 HB3 SER 28 HB3 SER 28 22.697 -13.706 -1.778 210 HG SER 28 HG SER 28 21.568 -15.538 -3.357 211 H GLU 29 H GLU 29 22.358 -12.846 0.833 212 HA GLU 29 HA GLU 29 20.452 -10.988 1.861 213 HB2 GLU 29 HB2 GLU 29 23.492 -10.886 1.880 214 HB3 GLU 29 HB3 GLU 29 22.436 -9.871 2.870 215 HG2 GLU 29 HG2 GLU 29 21.518 -11.896 3.951 216 HG3 GLU 29 HG3 GLU 29 22.601 -12.895 2.983 217 H GLN 30 H GLN 30 22.561 -10.908 -0.923 218 HA GLN 30 HA GLN 30 22.317 -8.119 -1.587 219 HB2 GLN 30 HB2 GLN 30 22.897 -10.482 -3.426 220 HB3 GLN 30 HB3 GLN 30 23.155 -8.783 -3.823 221 HG2 GLN 30 HG2 GLN 30 24.880 -8.638 -2.065 222 HG3 GLN 30 HG3 GLN 30 24.608 -10.330 -1.652 223 HE21 GLN 30 HE21 GLN 30 27.084 -9.086 -2.498 224 HE22 GLN 30 HE22 GLN 30 27.577 -9.886 -3.950 225 H ALA 31 H ALA 31 20.403 -11.015 -2.189 226 HA ALA 31 HA ALA 31 18.630 -9.823 -4.161 227 HB1 ALA 31 HB1 ALA 31 18.490 -12.512 -2.737 228 HB2 ALA 31 HB2 ALA 31 19.211 -12.218 -4.319 229 HB3 ALA 31 HB3 ALA 31 17.478 -12.002 -4.093 230 H ILE 32 H ILE 32 18.862 -9.919 -0.702 231 HA ILE 32 HA ILE 32 15.972 -10.013 -0.173 232 HB ILE 32 HB ILE 32 18.404 -9.962 1.687 233 HG12 ILE 32 HG12 ILE 32 17.880 -12.162 0.636 234 HG13 ILE 32 HG13 ILE 32 17.689 -12.192 2.382 235 HG21 ILE 32 HG21 ILE 32 15.466 -9.889 2.496 236 HG22 ILE 32 HG22 ILE 32 16.659 -8.614 2.758 237 HG23 ILE 32 HG23 ILE 32 16.816 -10.153 3.603 238 HD11 ILE 32 HD11 ILE 32 15.249 -11.965 2.079 239 HD12 ILE 32 HD12 ILE 32 15.924 -13.414 1.351 240 HD13 ILE 32 HD13 ILE 32 15.492 -12.046 0.332 241 H ALA 33 H ALA 33 18.811 -7.954 -0.309 242 HA ALA 33 HA ALA 33 17.608 -5.762 1.194 243 HB1 ALA 33 HB1 ALA 33 19.796 -4.649 0.856 244 HB2 ALA 33 HB2 ALA 33 20.332 -6.004 -0.145 245 HB3 ALA 33 HB3 ALA 33 19.989 -6.253 1.567 246 H ASP 34 H ASP 34 18.652 -6.612 -2.124 247 HA ASP 34 HA ASP 34 17.888 -4.264 -3.438 248 HB2 ASP 34 HB2 ASP 34 19.184 -6.283 -4.429 249 HB3 ASP 34 HB3 ASP 34 17.612 -7.034 -4.692 250 H ALA 35 H ALA 35 15.985 -7.193 -2.694 251 HA ALA 35 HA ALA 35 13.586 -6.358 -3.995 252 HB1 ALA 35 HB1 ALA 35 14.066 -8.726 -3.532 253 HB2 ALA 35 HB2 ALA 35 12.536 -8.240 -2.791 254 HB3 ALA 35 HB3 ALA 35 13.987 -8.410 -1.797 255 H ARG 36 H ARG 36 14.797 -6.121 -0.679 256 HA ARG 36 HA ARG 36 12.534 -5.018 0.597 257 HB2 ARG 36 HB2 ARG 36 14.488 -5.928 1.831 258 HB3 ARG 36 HB3 ARG 36 15.484 -4.602 1.241 259 HG2 ARG 36 HG2 ARG 36 14.005 -2.997 2.495 260 HG3 ARG 36 HG3 ARG 36 13.133 -4.386 3.158 261 HD2 ARG 36 HD2 ARG 36 14.820 -3.552 4.746 262 HD3 ARG 36 HD3 ARG 36 15.212 -5.194 4.219 263 HE ARG 36 HE ARG 36 16.507 -3.222 2.599 264 HH11 ARG 36 HH11 ARG 36 16.814 -4.904 5.677 265 HH12 ARG 36 HH12 ARG 36 18.515 -4.592 5.803 266 HH21 ARG 36 HH21 ARG 36 18.721 -2.860 2.772 267 HH22 ARG 36 HH22 ARG 36 19.592 -3.439 4.152 268 H LYS 37 H LYS 37 15.425 -3.436 -0.682 269 HA LYS 37 HA LYS 37 14.836 -0.770 -0.580 270 HB2 LYS 37 HB2 LYS 37 16.992 -1.538 -1.367 271 HB3 LYS 37 HB3 LYS 37 16.259 -2.383 -2.722 272 HG2 LYS 37 HG2 LYS 37 15.517 0.045 -3.491 273 HG3 LYS 37 HG3 LYS 37 16.778 0.575 -2.376 274 HD2 LYS 37 HD2 LYS 37 17.654 0.403 -4.654 275 HD3 LYS 37 HD3 LYS 37 18.441 -0.788 -3.611 276 HE2 LYS 37 HE2 LYS 37 16.958 -2.552 -4.503 277 HE3 LYS 37 HE3 LYS 37 16.128 -1.368 -5.511 278 HZ1 LYS 37 HZ1 LYS 37 17.771 -2.681 -6.712 279 HZ2 LYS 37 HZ2 LYS 37 19.001 -2.060 -5.728 280 HZ3 LYS 37 HZ3 LYS 37 18.128 -1.028 -6.744 281 H ALA 38 H ALA 38 13.581 -3.168 -2.892 282 HA ALA 38 HA ALA 38 12.772 -1.169 -4.825 283 HB1 ALA 38 HB1 ALA 38 13.669 -3.335 -5.580 284 HB2 ALA 38 HB2 ALA 38 12.007 -3.116 -6.137 285 HB3 ALA 38 HB3 ALA 38 12.348 -4.185 -4.770 286 H THR 39 H THR 39 11.230 -3.513 -2.593 287 HA THR 39 HA THR 39 8.541 -2.859 -3.347 288 HB THR 39 HB THR 39 9.472 -4.433 -0.898 289 HG1 THR 39 HG1 THR 39 9.890 -5.078 -3.354 290 HG21 THR 39 HG21 THR 39 7.239 -5.496 -1.041 291 HG22 THR 39 HG22 THR 39 6.808 -4.429 -2.378 292 HG23 THR 39 HG23 THR 39 7.094 -3.757 -0.767 293 H ILE 40 H ILE 40 10.714 -1.902 -0.681 294 HA ILE 40 HA ILE 40 8.880 -0.314 0.801 295 HB ILE 40 HB ILE 40 11.912 -0.193 0.534 296 HG12 ILE 40 HG12 ILE 40 10.910 -2.106 1.799 297 HG13 ILE 40 HG13 ILE 40 11.939 -1.099 2.804 298 HG21 ILE 40 HG21 ILE 40 11.231 2.118 0.974 299 HG22 ILE 40 HG22 ILE 40 11.973 1.439 2.421 300 HG23 ILE 40 HG23 ILE 40 10.217 1.601 2.325 301 HD11 ILE 40 HD11 ILE 40 8.921 -1.031 2.756 302 HD12 ILE 40 HD12 ILE 40 9.967 -0.055 3.796 303 HD13 ILE 40 HD13 ILE 40 9.933 -1.808 3.974 304 H LEU 41 H LEU 41 11.315 0.644 -1.650 305 HA LEU 41 HA LEU 41 10.569 3.311 -2.031 306 HB2 LEU 41 HB2 LEU 41 12.647 2.806 -2.897 307 HB3 LEU 41 HB3 LEU 41 12.141 1.287 -3.575 308 HG LEU 41 HG LEU 41 11.099 3.745 -4.951 309 HD11 LEU 41 HD11 LEU 41 13.994 2.871 -5.232 310 HD12 LEU 41 HD12 LEU 41 13.427 4.399 -4.551 311 HD13 LEU 41 HD13 LEU 41 13.165 4.047 -6.259 312 HD21 LEU 41 HD21 LEU 41 10.492 1.511 -5.793 313 HD22 LEU 41 HD22 LEU 41 12.199 1.108 -6.001 314 HD23 LEU 41 HD23 LEU 41 11.463 2.383 -6.980 315 H GLN 42 H GLN 42 8.967 0.442 -3.123 316 HA GLN 42 HA GLN 42 7.433 1.656 -5.269 317 HB2 GLN 42 HB2 GLN 42 8.032 -0.731 -5.405 318 HB3 GLN 42 HB3 GLN 42 7.246 -1.045 -3.862 319 HG2 GLN 42 HG2 GLN 42 5.056 -0.350 -4.959 320 HG3 GLN 42 HG3 GLN 42 5.926 -0.312 -6.491 321 HE21 GLN 42 HE21 GLN 42 4.598 -1.928 -7.353 322 HE22 GLN 42 HE22 GLN 42 4.735 -3.584 -6.882 323 H THR 43 H THR 43 6.955 0.467 -1.949 324 HA THR 43 HA THR 43 4.147 0.891 -1.833 325 HB THR 43 HB THR 43 6.152 0.481 0.432 326 HG1 THR 43 HG1 THR 43 5.730 -1.237 -1.215 327 HG21 THR 43 HG21 THR 43 3.103 0.327 0.524 328 HG22 THR 43 HG22 THR 43 4.104 1.537 1.331 329 HG23 THR 43 HG23 THR 43 4.198 -0.148 1.834 330 H LEU 44 H LEU 44 6.959 2.813 -0.773 331 HA LEU 44 HA LEU 44 5.654 4.748 0.777 332 HB2 LEU 44 HB2 LEU 44 8.220 5.091 -0.821 333 HB3 LEU 44 HB3 LEU 44 7.678 6.148 0.469 334 HG LEU 44 HG LEU 44 8.724 3.314 0.702 335 HD11 LEU 44 HD11 LEU 44 10.450 4.318 2.107 336 HD12 LEU 44 HD12 LEU 44 9.740 5.919 1.858 337 HD13 LEU 44 HD13 LEU 44 10.423 5.026 0.491 338 HD21 LEU 44 HD21 LEU 44 8.327 3.399 3.125 339 HD22 LEU 44 HD22 LEU 44 6.818 3.456 2.217 340 HD23 LEU 44 HD23 LEU 44 7.465 4.933 2.936 341 H ARG 45 H ARG 45 6.490 4.752 -2.694 342 HA ARG 45 HA ARG 45 5.382 7.354 -3.220 343 HB2 ARG 45 HB2 ARG 45 5.851 6.938 -5.555 344 HB3 ARG 45 HB3 ARG 45 7.197 6.323 -4.607 345 HG2 ARG 45 HG2 ARG 45 6.333 4.014 -4.873 346 HG3 ARG 45 HG3 ARG 45 4.987 4.629 -5.833 347 HD2 ARG 45 HD2 ARG 45 6.692 3.709 -7.305 348 HD3 ARG 45 HD3 ARG 45 6.620 5.460 -7.537 349 HE ARG 45 HE ARG 45 8.722 3.989 -6.049 350 HH11 ARG 45 HH11 ARG 45 7.723 6.892 -7.771 351 HH12 ARG 45 HH12 ARG 45 9.310 7.585 -7.759 352 HH21 ARG 45 HH21 ARG 45 10.795 4.917 -6.057 353 HH22 ARG 45 HH22 ARG 45 11.052 6.457 -6.809 354 H ILE 46 H ILE 46 4.082 4.089 -3.225 355 HA ILE 46 HA ILE 46 1.675 4.690 -4.683 356 HB ILE 46 HB ILE 46 2.544 2.330 -2.978 357 HG12 ILE 46 HG12 ILE 46 1.902 2.562 -5.954 358 HG13 ILE 46 HG13 ILE 46 3.516 2.533 -5.255 359 HG21 ILE 46 HG21 ILE 46 -0.185 2.579 -4.296 360 HG22 ILE 46 HG22 ILE 46 0.133 2.496 -2.563 361 HG23 ILE 46 HG23 ILE 46 0.479 1.106 -3.588 362 HD11 ILE 46 HD11 ILE 46 1.526 0.258 -5.164 363 HD12 ILE 46 HD12 ILE 46 3.159 0.239 -4.496 364 HD13 ILE 46 HD13 ILE 46 2.921 0.389 -6.234 365 H GLU 47 H GLU 47 2.609 4.696 -1.269 366 HA GLU 47 HA GLU 47 0.112 4.659 -0.018 367 HB2 GLU 47 HB2 GLU 47 2.777 5.822 0.835 368 HB3 GLU 47 HB3 GLU 47 1.378 5.852 1.898 369 HG2 GLU 47 HG2 GLU 47 2.641 3.339 0.781 370 HG3 GLU 47 HG3 GLU 47 2.977 4.022 2.367 371 H ARG 48 H ARG 48 1.956 7.434 -1.287 372 HA ARG 48 HA ARG 48 0.324 9.456 -0.182 373 HB2 ARG 48 HB2 ARG 48 1.345 11.012 -1.778 374 HB3 ARG 48 HB3 ARG 48 2.547 9.967 -1.058 375 HG2 ARG 48 HG2 ARG 48 3.347 9.803 -3.177 376 HG3 ARG 48 HG3 ARG 48 2.087 8.587 -3.362 377 HD2 ARG 48 HD2 ARG 48 2.018 10.083 -5.268 378 HD3 ARG 48 HD3 ARG 48 0.571 10.365 -4.292 379 HE ARG 48 HE ARG 48 2.644 12.149 -3.524 380 HH11 ARG 48 HH11 ARG 48 0.303 11.700 -6.094 381 HH12 ARG 48 HH12 ARG 48 0.295 13.372 -6.538 382 HH21 ARG 48 HH21 ARG 48 2.609 14.328 -4.111 383 HH22 ARG 48 HH22 ARG 48 1.605 14.853 -5.422 384 H ASP 49 H ASP 49 0.191 7.752 -3.294 385 HA ASP 49 HA ASP 49 -1.983 9.174 -4.428 386 HB2 ASP 49 HB2 ASP 49 -0.407 7.789 -5.768 387 HB3 ASP 49 HB3 ASP 49 -1.002 6.335 -4.972 388 H GLU 50 H GLU 50 -1.765 6.230 -2.472 389 HA GLU 50 HA GLU 50 -4.369 5.267 -2.573 390 HB2 GLU 50 HB2 GLU 50 -2.376 5.210 -0.269 391 HB3 GLU 50 HB3 GLU 50 -3.877 4.285 -0.280 392 HG2 GLU 50 HG2 GLU 50 -1.554 3.970 -2.198 393 HG3 GLU 50 HG3 GLU 50 -1.978 2.884 -0.878 394 H ARG 51 H ARG 51 -2.982 7.569 -0.233 395 HA ARG 51 HA ARG 51 -5.333 7.817 1.369 396 HB2 ARG 51 HB2 ARG 51 -2.934 9.682 1.196 397 HB3 ARG 51 HB3 ARG 51 -4.104 9.620 2.518 398 HG2 ARG 51 HG2 ARG 51 -3.363 7.379 3.124 399 HG3 ARG 51 HG3 ARG 51 -2.289 7.323 1.720 400 HD2 ARG 51 HD2 ARG 51 -0.969 7.787 3.661 401 HD3 ARG 51 HD3 ARG 51 -1.022 9.245 2.680 402 HE ARG 51 HE ARG 51 -2.634 10.164 4.267 403 HH11 ARG 51 HH11 ARG 51 -0.899 7.314 5.398 404 HH12 ARG 51 HH12 ARG 51 -0.959 7.792 7.065 405 HH21 ARG 51 HH21 ARG 51 -2.675 10.787 6.457 406 HH22 ARG 51 HH22 ARG 51 -1.985 9.755 7.666 407 H LEU 52 H LEU 52 -3.909 9.772 -1.240 408 HA LEU 52 HA LEU 52 -5.622 12.015 -1.155 409 HB2 LEU 52 HB2 LEU 52 -4.174 10.812 -3.551 410 HB3 LEU 52 HB3 LEU 52 -4.890 12.419 -3.514 411 HG LEU 52 HG LEU 52 -2.562 11.502 -1.783 412 HD11 LEU 52 HD11 LEU 52 -1.156 12.933 -3.172 413 HD12 LEU 52 HD12 LEU 52 -2.537 13.312 -4.206 414 HD13 LEU 52 HD13 LEU 52 -1.915 11.660 -4.125 415 HD21 LEU 52 HD21 LEU 52 -3.890 13.197 -0.638 416 HD22 LEU 52 HD22 LEU 52 -3.790 14.260 -2.045 417 HD23 LEU 52 HD23 LEU 52 -2.332 13.859 -1.132 418 H ARG 53 H ARG 53 -5.793 9.026 -3.131 419 HA ARG 53 HA ARG 53 -8.264 9.772 -4.418 420 HB2 ARG 53 HB2 ARG 53 -8.134 7.664 -5.579 421 HB3 ARG 53 HB3 ARG 53 -6.509 8.334 -5.505 422 HG2 ARG 53 HG2 ARG 53 -5.953 6.771 -3.654 423 HG3 ARG 53 HG3 ARG 53 -7.585 6.109 -3.728 424 HD2 ARG 53 HD2 ARG 53 -7.162 5.376 -6.057 425 HD3 ARG 53 HD3 ARG 53 -5.508 5.985 -5.937 426 HE ARG 53 HE ARG 53 -5.243 4.334 -4.050 427 HH11 ARG 53 HH11 ARG 53 -7.509 3.715 -6.676 428 HH12 ARG 53 HH12 ARG 53 -7.524 1.999 -6.408 429 HH21 ARG 53 HH21 ARG 53 -5.284 2.093 -3.726 430 HH22 ARG 53 HH22 ARG 53 -6.268 1.088 -4.742 431 H ALA 54 H ALA 54 -7.455 8.093 -1.470 432 HA ALA 54 HA ALA 54 -9.964 6.723 -1.112 433 HB1 ALA 54 HB1 ALA 54 -7.846 7.444 0.942 434 HB2 ALA 54 HB2 ALA 54 -7.906 5.956 -0.006 435 HB3 ALA 54 HB3 ALA 54 -9.173 6.295 1.177 436 H CYS 55 H CYS 55 -8.936 9.964 -0.742 437 HA CYS 55 HA CYS 55 -11.207 10.747 0.959 438 HB2 CYS 55 HB2 CYS 55 -8.828 12.346 -0.078 439 HB3 CYS 55 HB3 CYS 55 -10.037 12.931 1.067 440 HG CYS 55 HG CYS 55 -8.161 10.176 1.790 441 H ASP 56 H ASP 56 -11.501 9.804 -1.911 442 HA ASP 56 HA ASP 56 -12.147 12.159 -3.460 443 HB2 ASP 56 HB2 ASP 56 -12.700 10.700 -5.250 444 HB3 ASP 56 HB3 ASP 56 -11.339 9.933 -4.441 445 H TRP 57 H TRP 57 -13.877 9.923 -1.392 446 HA TRP 57 HA TRP 57 -16.499 10.246 -2.350 447 HB2 TRP 57 HB2 TRP 57 -17.256 9.153 -0.333 448 HB3 TRP 57 HB3 TRP 57 -15.727 8.410 -0.785 449 HD1 TRP 57 HD1 TRP 57 -13.574 8.981 0.837 450 HE1 TRP 57 HE1 TRP 57 -13.479 9.671 3.313 451 HE3 TRP 57 HE3 TRP 57 -18.432 10.496 1.460 452 HZ2 TRP 57 HZ2 TRP 57 -15.227 10.710 5.283 453 HZ3 TRP 57 HZ3 TRP 57 -19.128 11.349 3.663 454 HH2 TRP 57 HH2 TRP 57 -17.564 11.461 5.531 455 H THR 58 H THR 58 -14.573 12.282 -0.264 456 HA THR 58 HA THR 58 -16.745 13.906 0.753 457 HB THR 58 HB THR 58 -14.811 15.360 1.582 458 HG1 THR 58 HG1 THR 58 -12.944 14.997 0.660 459 HG21 THR 58 HG21 THR 58 -14.049 13.782 3.283 460 HG22 THR 58 HG22 THR 58 -14.641 12.429 2.326 461 HG23 THR 58 HG23 THR 58 -15.783 13.586 3.011 462 H GLN 59 H GLN 59 -14.423 14.021 -1.879 463 HA GLN 59 HA GLN 59 -14.799 16.863 -2.372 464 HB2 GLN 59 HB2 GLN 59 -13.098 14.849 -3.895 465 HB3 GLN 59 HB3 GLN 59 -13.008 16.607 -4.017 466 HG2 GLN 59 HG2 GLN 59 -12.251 14.890 -1.632 467 HG3 GLN 59 HG3 GLN 59 -11.172 15.853 -2.646 468 HE21 GLN 59 HE21 GLN 59 -11.208 18.130 -2.413 469 HE22 GLN 59 HE22 GLN 59 -11.845 18.886 -1.003 470 H VAL 60 H VAL 60 -16.254 13.982 -3.483 471 HA VAL 60 HA VAL 60 -17.207 15.027 -6.012 472 HB VAL 60 HB VAL 60 -18.681 13.052 -6.088 473 HG11 VAL 60 HG11 VAL 60 -16.354 12.769 -6.837 474 HG12 VAL 60 HG12 VAL 60 -16.956 11.280 -6.113 475 HG13 VAL 60 HG13 VAL 60 -15.861 12.321 -5.203 476 HG21 VAL 60 HG21 VAL 60 -17.709 12.415 -3.266 477 HG22 VAL 60 HG22 VAL 60 -18.706 11.357 -4.268 478 HG23 VAL 60 HG23 VAL 60 -19.343 12.906 -3.716 479 H GLN 61 H GLN 61 -19.480 15.411 -6.432 480 HA GLN 61 HA GLN 61 -20.710 17.151 -4.462 481 HB2 GLN 61 HB2 GLN 61 -22.183 17.886 -6.222 482 HB3 GLN 61 HB3 GLN 61 -20.568 17.772 -6.896 483 HG2 GLN 61 HG2 GLN 61 -22.734 15.688 -7.287 484 HG3 GLN 61 HG3 GLN 61 -22.400 16.999 -8.409 485 HE21 GLN 61 HE21 GLN 61 -22.271 14.052 -8.734 486 HE22 GLN 61 HE22 GLN 61 -20.687 13.744 -9.355 487 H ASP 62 H ASP 62 -20.888 13.876 -5.027 488 HA ASP 62 HA ASP 62 -23.684 13.327 -4.831 489 HB2 ASP 62 HB2 ASP 62 -21.276 11.526 -4.293 490 HB3 ASP 62 HB3 ASP 62 -22.939 10.966 -4.470 491 H VAL 63 H VAL 63 -21.141 13.839 -2.476 492 HA VAL 63 HA VAL 63 -22.810 12.973 -0.223 493 HB VAL 63 HB VAL 63 -20.375 12.349 -0.311 494 HG11 VAL 63 HG11 VAL 63 -19.876 15.324 0.062 495 HG12 VAL 63 HG12 VAL 63 -19.473 14.365 -1.364 496 HG13 VAL 63 HG13 VAL 63 -18.643 14.062 0.164 497 HG21 VAL 63 HG21 VAL 63 -21.141 14.085 2.072 498 HG22 VAL 63 HG22 VAL 63 -19.854 12.875 2.056 499 HG23 VAL 63 HG23 VAL 63 -21.535 12.374 1.862 500 H VAL 64 H VAL 64 -23.441 14.414 1.444 501 HA VAL 64 HA VAL 64 -23.710 17.251 0.668 502 HB VAL 64 HB VAL 64 -25.255 15.674 2.792 503 HG11 VAL 64 HG11 VAL 64 -26.807 17.632 2.829 504 HG12 VAL 64 HG12 VAL 64 -25.739 18.489 1.722 505 HG13 VAL 64 HG13 VAL 64 -25.174 18.073 3.339 506 HG21 VAL 64 HG21 VAL 64 -26.163 16.490 0.001 507 HG22 VAL 64 HG22 VAL 64 -27.183 15.723 1.226 508 HG23 VAL 64 HG23 VAL 64 -25.811 14.844 0.538 509 H LEU 65 H LEU 65 -21.584 17.888 1.318 510 HA LEU 65 HA LEU 65 -21.208 18.077 4.266 511 HB2 LEU 65 HB2 LEU 65 -19.052 17.942 2.110 512 HB3 LEU 65 HB3 LEU 65 -18.758 18.137 3.829 513 HG LEU 65 HG LEU 65 -19.955 15.644 2.538 514 HD11 LEU 65 HD11 LEU 65 -17.136 16.078 3.582 515 HD12 LEU 65 HD12 LEU 65 -17.613 15.940 1.887 516 HD13 LEU 65 HD13 LEU 65 -17.806 14.561 2.964 517 HD21 LEU 65 HD21 LEU 65 -19.559 14.580 4.746 518 HD22 LEU 65 HD22 LEU 65 -20.723 15.904 4.830 519 HD23 LEU 65 HD23 LEU 65 -19.068 16.155 5.389 520 H THR 66 H THR 66 -20.267 20.135 4.959 521 HA THR 66 HA THR 66 -21.225 22.396 3.455 522 HB THR 66 HB THR 66 -20.329 23.779 5.293 523 HG1 THR 66 HG1 THR 66 -19.237 22.560 7.042 524 HG21 THR 66 HG21 THR 66 -22.489 22.644 5.773 525 HG22 THR 66 HG22 THR 66 -21.518 22.788 7.238 526 HG23 THR 66 HG23 THR 66 -21.619 21.239 6.403 527 H ALA 67 H ALA 67 -19.799 24.263 2.888 528 HA ALA 67 HA ALA 67 -17.732 23.641 1.124 529 HB1 ALA 67 HB1 ALA 67 -17.178 26.043 1.141 530 HB2 ALA 67 HB2 ALA 67 -18.142 26.265 2.603 531 HB3 ALA 67 HB3 ALA 67 -18.927 25.803 1.092 532 H ASP 68 H ASP 68 -17.511 24.835 4.470 533 HA ASP 68 HA ASP 68 -14.842 24.803 5.046 534 HB2 ASP 68 HB2 ASP 68 -17.160 23.900 6.794 535 HB3 ASP 68 HB3 ASP 68 -15.532 24.153 7.408 536 H GLN 69 H GLN 69 -16.982 21.964 5.231 537 HA GLN 69 HA GLN 69 -14.997 20.123 6.188 538 HB2 GLN 69 HB2 GLN 69 -17.658 19.546 4.818 539 HB3 GLN 69 HB3 GLN 69 -16.648 18.325 5.597 540 HG2 GLN 69 HG2 GLN 69 -16.875 19.624 7.747 541 HG3 GLN 69 HG3 GLN 69 -18.045 20.662 6.932 542 HE21 GLN 69 HE21 GLN 69 -19.780 20.081 8.217 543 HE22 GLN 69 HE22 GLN 69 -20.485 18.506 8.190 544 H LYS 70 H LYS 70 -16.429 20.552 2.957 545 HA LYS 70 HA LYS 70 -14.787 18.690 1.565 546 HB2 LYS 70 HB2 LYS 70 -16.523 20.992 0.600 547 HB3 LYS 70 HB3 LYS 70 -15.650 19.927 -0.507 548 HG2 LYS 70 HG2 LYS 70 -16.859 17.976 0.434 549 HG3 LYS 70 HG3 LYS 70 -17.758 19.059 1.498 550 HD2 LYS 70 HD2 LYS 70 -18.978 20.013 -0.304 551 HD3 LYS 70 HD3 LYS 70 -17.843 19.399 -1.519 552 HE2 LYS 70 HE2 LYS 70 -18.613 17.068 -0.913 553 HE3 LYS 70 HE3 LYS 70 -19.835 17.790 0.131 554 HZ1 LYS 70 HZ1 LYS 70 -19.611 18.048 -2.812 555 HZ2 LYS 70 HZ2 LYS 70 -20.709 18.925 -1.872 556 HZ3 LYS 70 HZ3 LYS 70 -20.815 17.239 -1.943 557 H ALA 71 H ALA 71 -14.148 21.861 2.679 558 HA ALA 71 HA ALA 71 -12.114 22.528 0.659 559 HB1 ALA 71 HB1 ALA 71 -13.423 24.415 1.582 560 HB2 ALA 71 HB2 ALA 71 -11.714 24.584 1.989 561 HB3 ALA 71 HB3 ALA 71 -12.860 24.019 3.208 562 H THR 72 H THR 72 -12.196 22.212 4.182 563 HA THR 72 HA THR 72 -9.545 21.800 4.756 564 HB THR 72 HB THR 72 -11.849 20.450 6.212 565 HG1 THR 72 HG1 THR 72 -12.294 22.497 6.557 566 HG21 THR 72 HG21 THR 72 -9.068 21.161 7.223 567 HG22 THR 72 HG22 THR 72 -9.658 19.523 6.928 568 HG23 THR 72 HG23 THR 72 -10.385 20.510 8.198 569 H TRP 73 H TRP 73 -11.730 19.245 3.514 570 HA TRP 73 HA TRP 73 -9.768 17.144 3.599 571 HB2 TRP 73 HB2 TRP 73 -12.409 17.481 2.178 572 HB3 TRP 73 HB3 TRP 73 -11.366 16.140 1.743 573 HD1 TRP 73 HD1 TRP 73 -13.860 17.199 4.398 574 HE1 TRP 73 HE1 TRP 73 -14.144 15.293 6.084 575 HE3 TRP 73 HE3 TRP 73 -9.976 14.207 2.934 576 HZ2 TRP 73 HZ2 TRP 73 -12.926 12.835 6.717 577 HZ3 TRP 73 HZ3 TRP 73 -9.622 12.082 4.125 578 HH2 TRP 73 HH2 TRP 73 -11.066 11.408 5.979 579 H ALA 74 H ALA 74 -10.635 19.589 1.182 580 HA ALA 74 HA ALA 74 -8.863 18.718 -0.893 581 HB1 ALA 74 HB1 ALA 74 -9.250 20.952 -1.877 582 HB2 ALA 74 HB2 ALA 74 -10.036 21.477 -0.384 583 HB3 ALA 74 HB3 ALA 74 -10.764 20.209 -1.365 584 H LYS 75 H LYS 75 -8.457 20.637 2.010 585 HA LYS 75 HA LYS 75 -5.875 21.775 1.319 586 HB2 LYS 75 HB2 LYS 75 -7.659 21.885 3.766 587 HB3 LYS 75 HB3 LYS 75 -5.955 22.257 3.965 588 HG2 LYS 75 HG2 LYS 75 -7.337 24.289 3.691 589 HG3 LYS 75 HG3 LYS 75 -6.108 24.127 2.433 590 HD2 LYS 75 HD2 LYS 75 -7.806 23.334 0.845 591 HD3 LYS 75 HD3 LYS 75 -9.034 23.385 2.106 592 HE2 LYS 75 HE2 LYS 75 -7.541 25.814 1.084 593 HE3 LYS 75 HE3 LYS 75 -9.143 25.318 0.538 594 HZ1 LYS 75 HZ1 LYS 75 -9.292 27.022 2.232 595 HZ2 LYS 75 HZ2 LYS 75 -8.402 26.069 3.302 596 HZ3 LYS 75 HZ3 LYS 75 -9.937 25.570 2.818 597 H TYR 76 H TYR 76 -7.195 19.019 3.076 598 HA TYR 76 HA TYR 76 -4.775 17.960 4.133 599 HB2 TYR 76 HB2 TYR 76 -6.899 17.065 4.960 600 HB3 TYR 76 HB3 TYR 76 -7.387 16.574 3.337 601 HD1 TYR 76 HD1 TYR 76 -4.475 16.047 5.669 602 HD2 TYR 76 HD2 TYR 76 -7.167 14.263 2.865 603 HE1 TYR 76 HE1 TYR 76 -3.415 13.881 6.024 604 HE2 TYR 76 HE2 TYR 76 -6.106 12.077 3.243 605 HH TYR 76 HH TYR 76 -4.159 11.428 5.833 606 H ARG 77 H ARG 77 -6.558 17.428 1.104 607 HA ARG 77 HA ARG 77 -4.891 15.470 -0.046 608 HB2 ARG 77 HB2 ARG 77 -7.171 16.020 -0.944 609 HB3 ARG 77 HB3 ARG 77 -6.563 17.584 -1.485 610 HG2 ARG 77 HG2 ARG 77 -4.777 15.939 -2.753 611 HG3 ARG 77 HG3 ARG 77 -6.175 14.866 -2.682 612 HD2 ARG 77 HD2 ARG 77 -6.171 17.662 -3.863 613 HD3 ARG 77 HD3 ARG 77 -6.030 16.171 -4.798 614 HE ARG 77 HE ARG 77 -8.412 17.265 -3.518 615 HH11 ARG 77 HH11 ARG 77 -6.996 14.487 -5.158 616 HH12 ARG 77 HH12 ARG 77 -8.529 13.860 -5.665 617 HH21 ARG 77 HH21 ARG 77 -10.410 16.429 -4.229 618 HH22 ARG 77 HH22 ARG 77 -10.454 14.955 -5.139 619 H GLN 78 H GLN 78 -5.013 19.013 -0.485 620 HA GLN 78 HA GLN 78 -2.827 19.348 -2.167 621 HB2 GLN 78 HB2 GLN 78 -4.555 21.068 -1.751 622 HB3 GLN 78 HB3 GLN 78 -3.960 21.296 -0.111 623 HG2 GLN 78 HG2 GLN 78 -3.202 23.082 -1.623 624 HG3 GLN 78 HG3 GLN 78 -1.850 22.170 -0.950 625 HE21 GLN 78 HE21 GLN 78 -3.918 21.142 -3.669 626 HE22 GLN 78 HE22 GLN 78 -2.665 21.173 -4.848 627 H ALA 79 H ALA 79 -2.958 19.359 1.376 628 HA ALA 79 HA ALA 79 -0.316 20.162 1.939 629 HB1 ALA 79 HB1 ALA 79 -2.077 20.081 3.658 630 HB2 ALA 79 HB2 ALA 79 -0.676 19.137 4.163 631 HB3 ALA 79 HB3 ALA 79 -2.123 18.319 3.554 632 H LEU 80 H LEU 80 -1.727 16.897 1.645 633 HA LEU 80 HA LEU 80 0.600 15.428 2.208 634 HB2 LEU 80 HB2 LEU 80 -1.903 14.809 2.335 635 HB3 LEU 80 HB3 LEU 80 -1.810 14.499 0.614 636 HG LEU 80 HG LEU 80 -0.103 13.031 2.665 637 HD11 LEU 80 HD11 LEU 80 -2.767 12.156 1.515 638 HD12 LEU 80 HD12 LEU 80 -2.443 12.641 3.186 639 HD13 LEU 80 HD13 LEU 80 -1.698 11.186 2.535 640 HD21 LEU 80 HD21 LEU 80 0.803 12.877 0.402 641 HD22 LEU 80 HD22 LEU 80 -0.751 12.318 -0.219 642 HD23 LEU 80 HD23 LEU 80 0.166 11.315 0.910 643 H ARG 81 H ARG 81 -0.997 16.286 -0.880 644 HA ARG 81 HA ARG 81 0.790 14.814 -2.547 645 HB2 ARG 81 HB2 ARG 81 -0.323 15.787 -4.442 646 HB3 ARG 81 HB3 ARG 81 -1.549 15.469 -3.227 647 HG2 ARG 81 HG2 ARG 81 -1.492 17.891 -2.593 648 HG3 ARG 81 HG3 ARG 81 -0.363 18.178 -3.917 649 HD2 ARG 81 HD2 ARG 81 -3.190 17.093 -4.222 650 HD3 ARG 81 HD3 ARG 81 -2.704 18.766 -4.515 651 HE ARG 81 HE ARG 81 -1.060 17.291 -6.137 652 HH11 ARG 81 HH11 ARG 81 -4.563 17.574 -5.862 653 HH12 ARG 81 HH12 ARG 81 -4.836 17.258 -7.544 654 HH21 ARG 81 HH21 ARG 81 -1.448 16.871 -8.333 655 HH22 ARG 81 HH22 ARG 81 -3.073 16.853 -8.939 656 H ASP 82 H ASP 82 0.924 18.001 -1.161 657 HA ASP 82 HA ASP 82 2.732 19.317 -2.885 658 HB2 ASP 82 HB2 ASP 82 1.353 20.317 -0.951 659 HB3 ASP 82 HB3 ASP 82 2.575 19.685 0.142 660 H LEU 83 H LEU 83 3.206 17.134 -0.146 661 HA LEU 83 HA LEU 83 6.009 17.265 0.134 662 HB2 LEU 83 HB2 LEU 83 4.507 16.294 1.843 663 HB3 LEU 83 HB3 LEU 83 4.085 14.986 0.755 664 HG LEU 83 HG LEU 83 6.394 14.108 0.878 665 HD11 LEU 83 HD11 LEU 83 6.962 16.339 2.843 666 HD12 LEU 83 HD12 LEU 83 7.640 16.173 1.222 667 HD13 LEU 83 HD13 LEU 83 8.033 14.989 2.461 668 HD21 LEU 83 HD21 LEU 83 4.710 13.297 2.475 669 HD22 LEU 83 HD22 LEU 83 5.203 14.533 3.634 670 HD23 LEU 83 HD23 LEU 83 6.332 13.261 3.158 671 HA PRO 84 HA PRO 84 7.170 15.224 -3.812 672 HB2 PRO 84 HB2 PRO 84 9.856 14.835 -3.089 673 HB3 PRO 84 HB3 PRO 84 9.208 16.309 -3.819 674 HG2 PRO 84 HG2 PRO 84 9.678 15.687 -0.900 675 HG3 PRO 84 HG3 PRO 84 10.080 17.164 -1.805 676 HD2 PRO 84 HD2 PRO 84 7.915 17.120 -0.261 677 HD3 PRO 84 HD3 PRO 84 7.824 17.887 -1.864 678 H GLU 85 H GLU 85 7.030 13.112 -4.373 679 HA GLU 85 HA GLU 85 6.867 11.061 -2.339 680 HB2 GLU 85 HB2 GLU 85 6.342 9.555 -4.386 681 HB3 GLU 85 HB3 GLU 85 5.188 10.810 -3.970 682 HG2 GLU 85 HG2 GLU 85 5.419 10.684 -6.370 683 HG3 GLU 85 HG3 GLU 85 6.052 12.222 -5.796 684 H THR 86 H THR 86 7.850 8.785 -3.621 685 HA THR 86 HA THR 86 10.491 8.883 -2.563 686 HB THR 86 HB THR 86 9.217 6.582 -4.110 687 HG1 THR 86 HG1 THR 86 8.836 7.510 -1.451 688 HG21 THR 86 HG21 THR 86 10.587 5.170 -2.616 689 HG22 THR 86 HG22 THR 86 11.257 6.607 -1.840 690 HG23 THR 86 HG23 THR 86 11.619 6.266 -3.537 691 H VAL 87 H VAL 87 12.332 9.278 -3.563 692 HA VAL 87 HA VAL 87 12.669 8.848 -6.485 693 HB VAL 87 HB VAL 87 14.635 10.413 -6.286 694 HG11 VAL 87 HG11 VAL 87 13.305 12.505 -6.158 695 HG12 VAL 87 HG12 VAL 87 11.958 11.603 -5.458 696 HG13 VAL 87 HG13 VAL 87 12.486 11.263 -7.111 697 HG21 VAL 87 HG21 VAL 87 13.579 10.959 -3.481 698 HG22 VAL 87 HG22 VAL 87 14.867 11.861 -4.292 699 HG23 VAL 87 HG23 VAL 87 15.104 10.160 -3.878 700 H THR 88 H THR 88 15.514 8.664 -6.531 701 HA THR 88 HA THR 88 16.024 6.031 -5.579 702 HB THR 88 HB THR 88 17.225 6.903 -7.540 703 HG1 THR 88 HG1 THR 88 18.880 6.166 -5.337 704 HG21 THR 88 HG21 THR 88 18.722 8.726 -5.620 705 HG22 THR 88 HG22 THR 88 17.577 9.252 -6.854 706 HG23 THR 88 HG23 THR 88 19.099 8.496 -7.325 707 H ASP 89 H ASP 89 16.652 9.245 -4.215 708 HA ASP 89 HA ASP 89 18.129 8.335 -1.934 709 HB2 ASP 89 HB2 ASP 89 18.218 10.696 -2.673 710 HB3 ASP 89 HB3 ASP 89 16.503 10.886 -2.328 711 H LEU 90 H LEU 90 17.243 6.879 -0.615 712 HA LEU 90 HA LEU 90 14.428 6.468 -0.303 713 HB2 LEU 90 HB2 LEU 90 16.123 4.622 -0.232 714 HB3 LEU 90 HB3 LEU 90 16.744 5.281 1.274 715 HG LEU 90 HG LEU 90 14.457 4.880 2.306 716 HD11 LEU 90 HD11 LEU 90 12.905 3.342 1.229 717 HD12 LEU 90 HD12 LEU 90 13.906 3.313 -0.223 718 HD13 LEU 90 HD13 LEU 90 13.112 4.808 0.277 719 HD21 LEU 90 HD21 LEU 90 15.883 2.396 1.307 720 HD22 LEU 90 HD22 LEU 90 14.786 2.494 2.691 721 HD23 LEU 90 HD23 LEU 90 16.326 3.351 2.730 722 H SER 91 H SER 91 13.539 8.312 0.594 723 HA SER 91 HA SER 91 14.295 9.095 3.350 724 HB2 SER 91 HB2 SER 91 12.840 11.118 2.833 725 HB3 SER 91 HB3 SER 91 14.255 10.968 1.794 726 HG SER 91 HG SER 91 11.552 10.425 1.194 727 H GLN 92 H GLN 92 12.759 9.007 4.996 728 HA GLN 92 HA GLN 92 10.586 7.134 4.711 729 HB2 GLN 92 HB2 GLN 92 10.155 7.542 7.119 730 HB3 GLN 92 HB3 GLN 92 11.847 7.183 6.808 731 HG2 GLN 92 HG2 GLN 92 12.430 9.547 7.040 732 HG3 GLN 92 HG3 GLN 92 10.736 9.966 7.282 733 HE21 GLN 92 HE21 GLN 92 9.725 9.374 9.238 734 HE22 GLN 92 HE22 GLN 92 10.646 8.963 10.641 735 H ILE 93 H ILE 93 8.417 7.538 4.732 736 HA ILE 93 HA ILE 93 7.550 10.173 3.787 737 HB ILE 93 HB ILE 93 5.420 8.961 3.177 738 HG12 ILE 93 HG12 ILE 93 6.898 6.419 4.022 739 HG13 ILE 93 HG13 ILE 93 5.604 7.153 4.951 740 HG21 ILE 93 HG21 ILE 93 6.382 7.698 1.288 741 HG22 ILE 93 HG22 ILE 93 7.968 7.717 2.070 742 HG23 ILE 93 HG23 ILE 93 7.224 9.228 1.534 743 HD11 ILE 93 HD11 ILE 93 4.017 6.655 3.214 744 HD12 ILE 93 HD12 ILE 93 4.900 5.195 3.655 745 HD13 ILE 93 HD13 ILE 93 5.300 6.049 2.168 746 H VAL 94 H VAL 94 7.025 11.594 5.405 747 HA VAL 94 HA VAL 94 4.945 10.735 7.316 748 HB VAL 94 HB VAL 94 6.934 11.027 8.632 749 HG11 VAL 94 HG11 VAL 94 8.265 13.103 8.750 750 HG12 VAL 94 HG12 VAL 94 7.300 13.807 7.450 751 HG13 VAL 94 HG13 VAL 94 8.314 12.397 7.136 752 HG21 VAL 94 HG21 VAL 94 5.143 13.464 9.011 753 HG22 VAL 94 HG22 VAL 94 6.201 12.757 10.234 754 HG23 VAL 94 HG23 VAL 94 4.825 11.837 9.628 755 H TRP 95 H TRP 95 3.174 11.521 6.617 756 HA TRP 95 HA TRP 95 2.891 14.354 5.836 757 HB2 TRP 95 HB2 TRP 95 1.065 13.399 4.178 758 HB3 TRP 95 HB3 TRP 95 2.752 13.396 3.702 759 HD1 TRP 95 HD1 TRP 95 0.633 10.749 5.661 760 HE1 TRP 95 HE1 TRP 95 1.000 8.473 4.511 761 HE3 TRP 95 HE3 TRP 95 3.674 12.246 1.847 762 HZ2 TRP 95 HZ2 TRP 95 2.395 7.464 2.304 763 HZ3 TRP 95 HZ3 TRP 95 4.486 10.561 0.251 764 HH2 TRP 95 HH2 TRP 95 3.849 8.209 0.474 765 HA PRO 96 HA PRO 96 -0.173 14.699 8.872 766 HB2 PRO 96 HB2 PRO 96 -2.321 16.039 7.773 767 HB3 PRO 96 HB3 PRO 96 -0.757 16.805 8.088 768 HG2 PRO 96 HG2 PRO 96 -1.784 15.618 5.494 769 HG3 PRO 96 HG3 PRO 96 -1.020 17.204 5.767 770 HD2 PRO 96 HD2 PRO 96 0.412 15.148 4.820 771 HD3 PRO 96 HD3 PRO 96 1.132 16.269 5.999 772 H GLN 97 H GLN 97 -2.061 13.984 9.815 773 HA GLN 97 HA GLN 97 -3.427 11.668 8.682 774 HB2 GLN 97 HB2 GLN 97 -2.868 11.666 11.077 775 HB3 GLN 97 HB3 GLN 97 -3.786 13.147 11.331 776 HG2 GLN 97 HG2 GLN 97 -5.884 11.915 10.787 777 HG3 GLN 97 HG3 GLN 97 -4.945 10.441 10.554 778 HE21 GLN 97 HE21 GLN 97 -6.118 12.750 12.918 779 HE22 GLN 97 HE22 GLN 97 -5.853 11.751 14.301 780 H LEU 98 H LEU 98 -5.681 11.656 8.128 781 HA LEU 98 HA LEU 98 -6.649 14.062 6.955 782 HB2 LEU 98 HB2 LEU 98 -8.755 12.635 6.487 783 HB3 LEU 98 HB3 LEU 98 -7.242 12.195 5.734 784 HG LEU 98 HG LEU 98 -6.998 10.398 7.551 785 HD11 LEU 98 HD11 LEU 98 -8.621 11.216 9.168 786 HD12 LEU 98 HD12 LEU 98 -9.041 9.594 8.628 787 HD13 LEU 98 HD13 LEU 98 -9.930 10.986 8.004 788 HD21 LEU 98 HD21 LEU 98 -7.584 9.865 5.229 789 HD22 LEU 98 HD22 LEU 98 -9.296 10.130 5.587 790 HD23 LEU 98 HD23 LEU 98 -8.421 8.799 6.356 791 HA PRO 99 HA PRO 99 -8.428 16.394 10.092 792 HB2 PRO 99 HB2 PRO 99 -10.909 17.200 9.010 793 HB3 PRO 99 HB3 PRO 99 -9.342 17.945 8.667 794 HG2 PRO 99 HG2 PRO 99 -10.841 15.863 7.079 795 HG3 PRO 99 HG3 PRO 99 -9.961 17.298 6.500 796 HD2 PRO 99 HD2 PRO 99 -8.854 14.883 6.314 797 HD3 PRO 99 HD3 PRO 99 -7.855 16.270 6.801 798 H VAL 100 H VAL 100 -11.025 14.281 8.795 799 HA VAL 100 HA VAL 100 -12.575 14.390 11.237 800 HB VAL 100 HB VAL 100 -13.037 12.683 8.751 801 HG11 VAL 100 HG11 VAL 100 -14.220 11.780 10.726 802 HG12 VAL 100 HG12 VAL 100 -15.369 12.456 9.569 803 HG13 VAL 100 HG13 VAL 100 -14.951 13.361 11.029 804 HG21 VAL 100 HG21 VAL 100 -13.045 15.087 8.211 805 HG22 VAL 100 HG22 VAL 100 -14.224 15.390 9.492 806 HG23 VAL 100 HG23 VAL 100 -14.674 14.421 8.087 Start of MODEL 3 1 H MET 1 H MET 1 5.241 -6.374 7.240 2 HA MET 1 HA MET 1 5.494 -5.348 5.118 3 HB2 MET 1 HB2 MET 1 6.704 -3.326 5.791 4 HB3 MET 1 HB3 MET 1 8.091 -4.274 6.302 5 HG2 MET 1 HG2 MET 1 7.157 -4.196 3.422 6 HG3 MET 1 HG3 MET 1 8.299 -3.030 4.087 7 HE1 MET 1 HE1 MET 1 9.884 -3.844 1.976 8 HE2 MET 1 HE2 MET 1 8.707 -5.089 1.545 9 HE3 MET 1 HE3 MET 1 10.398 -5.523 1.776 10 H LEU 2 H LEU 2 6.015 -6.867 3.687 11 HA LEU 2 HA LEU 2 8.395 -8.566 4.091 12 HB2 LEU 2 HB2 LEU 2 7.107 -10.546 3.190 13 HB3 LEU 2 HB3 LEU 2 6.668 -10.014 4.799 14 HG LEU 2 HG LEU 2 4.663 -8.829 3.725 15 HD11 LEU 2 HD11 LEU 2 3.816 -9.707 1.594 16 HD12 LEU 2 HD12 LEU 2 5.340 -10.562 1.341 17 HD13 LEU 2 HD13 LEU 2 5.312 -8.798 1.393 18 HD21 LEU 2 HD21 LEU 2 4.447 -10.883 5.043 19 HD22 LEU 2 HD22 LEU 2 4.750 -11.859 3.598 20 HD23 LEU 2 HD23 LEU 2 3.296 -10.858 3.706 21 H LEU 3 H LEU 3 9.232 -9.530 2.146 22 HA LEU 3 HA LEU 3 9.372 -7.728 -0.042 23 HB2 LEU 3 HB2 LEU 3 10.484 -10.521 0.466 24 HB3 LEU 3 HB3 LEU 3 10.786 -9.671 -1.037 25 HG LEU 3 HG LEU 3 12.140 -8.007 0.058 26 HD11 LEU 3 HD11 LEU 3 10.902 -7.633 2.126 27 HD12 LEU 3 HD12 LEU 3 12.602 -7.936 2.467 28 HD13 LEU 3 HD13 LEU 3 11.409 -9.208 2.745 29 HD21 LEU 3 HD21 LEU 3 13.981 -9.370 0.938 30 HD22 LEU 3 HD22 LEU 3 13.251 -10.139 -0.470 31 HD23 LEU 3 HD23 LEU 3 12.889 -10.743 1.150 32 H HIS 4 H HIS 4 7.485 -7.533 -1.196 33 HA HIS 4 HA HIS 4 5.645 -9.394 -1.977 34 HB2 HIS 4 HB2 HIS 4 5.237 -7.070 -2.426 35 HB3 HIS 4 HB3 HIS 4 6.671 -6.935 -3.439 36 HD1 HIS 4 HD1 HIS 4 6.417 -7.454 -5.903 37 HD2 HIS 4 HD2 HIS 4 3.051 -8.528 -3.708 38 HE1 HIS 4 HE1 HIS 4 4.706 -8.170 -7.596 39 HE2 HIS 4 HE2 HIS 4 2.649 -8.717 -6.252 40 H SER 5 H SER 5 8.858 -8.939 -3.360 41 HA SER 5 HA SER 5 8.708 -11.394 -4.887 42 HB2 SER 5 HB2 SER 5 9.287 -10.208 -7.085 43 HB3 SER 5 HB3 SER 5 7.633 -9.972 -6.523 44 HG SER 5 HG SER 5 9.786 -8.158 -6.532 45 H VAL 6 H VAL 6 10.598 -12.297 -4.327 46 HA VAL 6 HA VAL 6 13.107 -10.728 -4.511 47 HB VAL 6 HB VAL 6 12.572 -11.257 -2.114 48 HG11 VAL 6 HG11 VAL 6 11.350 -13.366 -2.422 49 HG12 VAL 6 HG12 VAL 6 12.659 -13.561 -1.257 50 HG13 VAL 6 HG13 VAL 6 12.843 -14.183 -2.900 51 HG21 VAL 6 HG21 VAL 6 15.042 -12.715 -3.149 52 HG22 VAL 6 HG22 VAL 6 14.782 -12.186 -1.481 53 HG23 VAL 6 HG23 VAL 6 14.930 -10.990 -2.773 54 H GLU 7 H GLU 7 14.821 -11.734 -5.529 55 HA GLU 7 HA GLU 7 14.215 -14.159 -7.071 56 HB2 GLU 7 HB2 GLU 7 16.444 -12.101 -7.296 57 HB3 GLU 7 HB3 GLU 7 16.452 -13.607 -8.205 58 HG2 GLU 7 HG2 GLU 7 15.637 -11.792 -9.594 59 HG3 GLU 7 HG3 GLU 7 14.374 -12.986 -9.321 60 H THR 8 H THR 8 14.863 -16.040 -6.384 61 HA THR 8 HA THR 8 17.129 -16.396 -4.511 62 HB THR 8 HB THR 8 15.917 -18.430 -3.707 63 HG1 THR 8 HG1 THR 8 13.886 -17.533 -5.496 64 HG21 THR 8 HG21 THR 8 15.540 -16.326 -2.488 65 HG22 THR 8 HG22 THR 8 14.092 -17.326 -2.474 66 HG23 THR 8 HG23 THR 8 14.191 -15.934 -3.553 67 HA PRO 9 HA PRO 9 18.949 -19.140 -7.654 68 HB2 PRO 9 HB2 PRO 9 19.865 -21.299 -6.133 69 HB3 PRO 9 HB3 PRO 9 20.709 -19.755 -6.297 70 HG2 PRO 9 HG2 PRO 9 18.893 -20.697 -4.088 71 HG3 PRO 9 HG3 PRO 9 20.430 -19.815 -3.971 72 HD2 PRO 9 HD2 PRO 9 18.074 -18.540 -3.690 73 HD3 PRO 9 HD3 PRO 9 19.436 -17.753 -4.517 74 H ARG 10 H ARG 10 16.336 -20.244 -5.680 75 HA ARG 10 HA ARG 10 15.774 -22.615 -7.341 76 HB2 ARG 10 HB2 ARG 10 13.970 -23.074 -5.686 77 HB3 ARG 10 HB3 ARG 10 15.560 -22.923 -4.944 78 HG2 ARG 10 HG2 ARG 10 14.977 -20.570 -4.291 79 HG3 ARG 10 HG3 ARG 10 13.349 -20.839 -4.918 80 HD2 ARG 10 HD2 ARG 10 14.628 -22.466 -2.692 81 HD3 ARG 10 HD3 ARG 10 13.559 -21.088 -2.443 82 HE ARG 10 HE ARG 10 12.145 -22.815 -4.042 83 HH11 ARG 10 HH11 ARG 10 13.645 -23.102 -0.865 84 HH12 ARG 10 HH12 ARG 10 12.409 -24.153 -0.255 85 HH21 ARG 10 HH21 ARG 10 10.542 -24.183 -3.220 86 HH22 ARG 10 HH22 ARG 10 10.649 -24.758 -1.587 87 H GLY 11 H GLY 11 15.076 -19.347 -7.499 88 HA2 GLY 11 HA2 GLY 11 13.893 -18.951 -9.749 89 HA3 GLY 11 HA3 GLY 11 12.524 -19.737 -8.979 90 H GLU 12 H GLU 12 11.181 -17.920 -9.147 91 HA GLU 12 HA GLU 12 11.929 -15.498 -7.614 92 HB2 GLU 12 HB2 GLU 12 11.081 -15.159 -9.943 93 HB3 GLU 12 HB3 GLU 12 9.571 -15.949 -9.506 94 HG2 GLU 12 HG2 GLU 12 9.158 -14.129 -7.829 95 HG3 GLU 12 HG3 GLU 12 10.632 -13.335 -8.384 96 H ILE 13 H ILE 13 10.933 -15.065 -5.710 97 HA ILE 13 HA ILE 13 8.811 -16.892 -4.741 98 HB ILE 13 HB ILE 13 11.079 -15.708 -3.071 99 HG12 ILE 13 HG12 ILE 13 11.924 -17.500 -4.550 100 HG13 ILE 13 HG13 ILE 13 11.945 -18.019 -2.872 101 HG21 ILE 13 HG21 ILE 13 8.870 -17.646 -2.282 102 HG22 ILE 13 HG22 ILE 13 9.017 -15.966 -1.770 103 HG23 ILE 13 HG23 ILE 13 10.214 -17.150 -1.249 104 HD11 ILE 13 HD11 ILE 13 11.250 -19.798 -4.345 105 HD12 ILE 13 HD12 ILE 13 9.918 -18.815 -4.956 106 HD13 ILE 13 HD13 ILE 13 9.924 -19.348 -3.269 107 H LEU 14 H LEU 14 7.011 -15.797 -4.542 108 HA LEU 14 HA LEU 14 6.943 -12.880 -4.198 109 HB2 LEU 14 HB2 LEU 14 4.747 -14.902 -4.814 110 HB3 LEU 14 HB3 LEU 14 4.520 -13.157 -4.762 111 HG LEU 14 HG LEU 14 6.373 -14.553 -6.737 112 HD11 LEU 14 HD11 LEU 14 3.525 -13.596 -7.165 113 HD12 LEU 14 HD12 LEU 14 4.075 -15.275 -7.127 114 HD13 LEU 14 HD13 LEU 14 4.616 -14.203 -8.415 115 HD21 LEU 14 HD21 LEU 14 6.316 -12.397 -7.942 116 HD22 LEU 14 HD22 LEU 14 6.967 -12.206 -6.315 117 HD23 LEU 14 HD23 LEU 14 5.312 -11.702 -6.664 118 H ASN 15 H ASN 15 5.927 -11.881 -2.500 119 HA ASN 15 HA ASN 15 5.140 -11.438 -0.443 120 HB2 ASN 15 HB2 ASN 15 3.370 -13.842 -1.002 121 HB3 ASN 15 HB3 ASN 15 3.035 -12.591 0.193 122 HD21 ASN 15 HD21 ASN 15 1.412 -13.418 -2.092 123 HD22 ASN 15 HD22 ASN 15 1.200 -12.004 -3.064 124 H VAL 16 H VAL 16 7.099 -11.875 0.637 125 HA VAL 16 HA VAL 16 7.193 -14.203 2.374 126 HB VAL 16 HB VAL 16 8.064 -15.109 0.251 127 HG11 VAL 16 HG11 VAL 16 8.845 -13.022 -0.798 128 HG12 VAL 16 HG12 VAL 16 10.105 -14.259 -0.830 129 HG13 VAL 16 HG13 VAL 16 10.192 -12.941 0.343 130 HG21 VAL 16 HG21 VAL 16 10.235 -15.983 1.033 131 HG22 VAL 16 HG22 VAL 16 9.034 -15.987 2.324 132 HG23 VAL 16 HG23 VAL 16 10.286 -14.744 2.290 133 H SER 17 H SER 17 8.398 -13.784 4.218 134 HA SER 17 HA SER 17 9.353 -11.108 4.685 135 HB2 SER 17 HB2 SER 17 9.920 -12.000 6.958 136 HB3 SER 17 HB3 SER 17 8.258 -12.337 6.483 137 HG SER 17 HG SER 17 8.854 -14.263 7.124 138 H GLU 18 H GLU 18 11.551 -10.685 5.615 139 HA GLU 18 HA GLU 18 13.699 -11.475 3.937 140 HB2 GLU 18 HB2 GLU 18 13.668 -10.187 6.706 141 HB3 GLU 18 HB3 GLU 18 15.101 -10.288 5.680 142 HG2 GLU 18 HG2 GLU 18 14.234 -8.771 4.102 143 HG3 GLU 18 HG3 GLU 18 12.583 -8.962 4.677 144 H GLN 19 H GLN 19 12.539 -12.594 7.064 145 HA GLN 19 HA GLN 19 14.632 -14.364 7.767 146 HB2 GLN 19 HB2 GLN 19 12.882 -13.597 9.356 147 HB3 GLN 19 HB3 GLN 19 11.670 -14.508 8.461 148 HG2 GLN 19 HG2 GLN 19 12.929 -16.624 9.035 149 HG3 GLN 19 HG3 GLN 19 13.997 -15.651 10.050 150 HE21 GLN 19 HE21 GLN 19 10.823 -17.034 9.729 151 HE22 GLN 19 HE22 GLN 19 10.300 -16.710 11.345 152 H GLU 20 H GLU 20 11.436 -15.002 6.316 153 HA GLU 20 HA GLU 20 11.672 -17.787 6.023 154 HB2 GLU 20 HB2 GLU 20 9.562 -16.221 5.887 155 HB3 GLU 20 HB3 GLU 20 9.966 -16.069 4.190 156 HG2 GLU 20 HG2 GLU 20 8.351 -17.744 4.210 157 HG3 GLU 20 HG3 GLU 20 9.863 -18.650 4.108 158 H ALA 21 H ALA 21 12.041 -15.200 3.604 159 HA ALA 21 HA ALA 21 12.840 -16.519 1.367 160 HB1 ALA 21 HB1 ALA 21 12.446 -14.097 1.468 161 HB2 ALA 21 HB2 ALA 21 13.981 -14.454 0.669 162 HB3 ALA 21 HB3 ALA 21 13.962 -13.876 2.341 163 H ARG 22 H ARG 22 15.139 -15.431 3.943 164 HA ARG 22 HA ARG 22 17.425 -16.592 2.603 165 HB2 ARG 22 HB2 ARG 22 17.093 -15.517 5.436 166 HB3 ARG 22 HB3 ARG 22 18.630 -16.084 4.782 167 HG2 ARG 22 HG2 ARG 22 18.483 -14.358 3.010 168 HG3 ARG 22 HG3 ARG 22 16.990 -13.763 3.733 169 HD2 ARG 22 HD2 ARG 22 18.904 -12.377 4.374 170 HD3 ARG 22 HD3 ARG 22 18.211 -13.177 5.787 171 HE ARG 22 HE ARG 22 20.306 -14.747 4.746 172 HH11 ARG 22 HH11 ARG 22 19.899 -11.700 6.437 173 HH12 ARG 22 HH12 ARG 22 21.437 -11.804 7.233 174 HH21 ARG 22 HH21 ARG 22 22.301 -14.879 5.783 175 HH22 ARG 22 HH22 ARG 22 22.795 -13.617 6.864 176 H ASP 23 H ASP 23 15.188 -17.718 5.050 177 HA ASP 23 HA ASP 23 16.915 -19.780 6.135 178 HB2 ASP 23 HB2 ASP 23 15.342 -18.556 7.587 179 HB3 ASP 23 HB3 ASP 23 13.974 -19.123 6.633 180 H VAL 24 H VAL 24 13.779 -19.824 4.438 181 HA VAL 24 HA VAL 24 13.946 -22.692 3.903 182 HB VAL 24 HB VAL 24 11.754 -20.635 3.364 183 HG11 VAL 24 HG11 VAL 24 11.640 -23.651 2.935 184 HG12 VAL 24 HG12 VAL 24 11.578 -22.420 1.669 185 HG13 VAL 24 HG13 VAL 24 10.259 -22.552 2.835 186 HG21 VAL 24 HG21 VAL 24 10.564 -21.746 5.215 187 HG22 VAL 24 HG22 VAL 24 12.129 -21.138 5.757 188 HG23 VAL 24 HG23 VAL 24 11.917 -22.860 5.430 189 H PHE 25 H PHE 25 13.957 -19.632 2.080 190 HA PHE 25 HA PHE 25 13.933 -21.100 -0.478 191 HB2 PHE 25 HB2 PHE 25 13.516 -18.133 0.080 192 HB3 PHE 25 HB3 PHE 25 13.324 -18.926 -1.485 193 HD1 PHE 25 HD1 PHE 25 11.611 -20.895 -1.599 194 HD2 PHE 25 HD2 PHE 25 11.604 -17.961 1.507 195 HE1 PHE 25 HE1 PHE 25 9.283 -21.448 -1.073 196 HE2 PHE 25 HE2 PHE 25 9.269 -18.523 2.024 197 HZ PHE 25 HZ PHE 25 8.105 -20.270 0.740 198 H GLY 26 H GLY 26 16.187 -19.597 1.545 199 HA2 GLY 26 HA2 GLY 26 18.437 -19.285 1.360 200 HA3 GLY 26 HA3 GLY 26 18.374 -20.256 -0.102 201 H ALA 27 H ALA 27 16.864 -17.126 0.585 202 HA ALA 27 HA ALA 27 17.789 -15.915 -1.855 203 HB1 ALA 27 HB1 ALA 27 16.357 -14.608 0.491 204 HB2 ALA 27 HB2 ALA 27 15.572 -15.356 -0.900 205 HB3 ALA 27 HB3 ALA 27 16.574 -13.924 -1.125 206 H SER 28 H SER 28 19.356 -14.382 -2.119 207 HA SER 28 HA SER 28 21.520 -14.334 -0.232 208 HB2 SER 28 HB2 SER 28 21.928 -14.367 -2.674 209 HB3 SER 28 HB3 SER 28 21.133 -12.802 -2.842 210 HG SER 28 HG SER 28 23.594 -13.408 -1.563 211 H GLU 29 H GLU 29 22.377 -12.454 0.803 212 HA GLU 29 HA GLU 29 20.492 -10.615 1.900 213 HB2 GLU 29 HB2 GLU 29 23.519 -10.417 1.912 214 HB3 GLU 29 HB3 GLU 29 22.420 -9.520 2.962 215 HG2 GLU 29 HG2 GLU 29 21.637 -11.671 3.932 216 HG3 GLU 29 HG3 GLU 29 22.798 -12.524 2.914 217 H GLN 30 H GLN 30 22.532 -10.495 -0.926 218 HA GLN 30 HA GLN 30 22.262 -7.718 -1.582 219 HB2 GLN 30 HB2 GLN 30 22.688 -10.132 -3.392 220 HB3 GLN 30 HB3 GLN 30 22.754 -8.460 -3.944 221 HG2 GLN 30 HG2 GLN 30 24.662 -8.098 -2.324 222 HG3 GLN 30 HG3 GLN 30 24.650 -9.836 -2.022 223 HE21 GLN 30 HE21 GLN 30 26.761 -10.119 -2.852 224 HE22 GLN 30 HE22 GLN 30 27.123 -9.979 -4.535 225 H ALA 31 H ALA 31 20.294 -10.609 -2.047 226 HA ALA 31 HA ALA 31 18.419 -9.422 -3.928 227 HB1 ALA 31 HB1 ALA 31 19.036 -11.817 -4.142 228 HB2 ALA 31 HB2 ALA 31 17.312 -11.635 -3.828 229 HB3 ALA 31 HB3 ALA 31 18.397 -12.138 -2.526 230 H ILE 32 H ILE 32 18.843 -9.543 -0.502 231 HA ILE 32 HA ILE 32 15.998 -9.771 0.208 232 HB ILE 32 HB ILE 32 18.549 -9.662 1.882 233 HG12 ILE 32 HG12 ILE 32 17.954 -11.870 0.942 234 HG13 ILE 32 HG13 ILE 32 17.822 -11.871 2.692 235 HG21 ILE 32 HG21 ILE 32 17.141 -9.812 3.936 236 HG22 ILE 32 HG22 ILE 32 15.703 -9.513 2.958 237 HG23 ILE 32 HG23 ILE 32 16.952 -8.273 3.093 238 HD11 ILE 32 HD11 ILE 32 15.389 -11.653 2.493 239 HD12 ILE 32 HD12 ILE 32 16.016 -13.092 1.693 240 HD13 ILE 32 HD13 ILE 32 15.546 -11.691 0.734 241 H ALA 33 H ALA 33 18.717 -7.527 0.049 242 HA ALA 33 HA ALA 33 17.346 -5.405 1.488 243 HB1 ALA 33 HB1 ALA 33 19.417 -4.125 1.036 244 HB2 ALA 33 HB2 ALA 33 20.025 -5.456 0.049 245 HB3 ALA 33 HB3 ALA 33 19.777 -5.685 1.780 246 H ASP 34 H ASP 34 18.252 -6.387 -1.777 247 HA ASP 34 HA ASP 34 17.416 -4.176 -3.292 248 HB2 ASP 34 HB2 ASP 34 18.829 -6.056 -4.122 249 HB3 ASP 34 HB3 ASP 34 17.433 -7.127 -4.045 250 H ALA 35 H ALA 35 15.641 -7.140 -2.357 251 HA ALA 35 HA ALA 35 13.267 -6.462 -3.854 252 HB1 ALA 35 HB1 ALA 35 12.333 -8.508 -2.841 253 HB2 ALA 35 HB2 ALA 35 13.745 -8.621 -1.786 254 HB3 ALA 35 HB3 ALA 35 13.933 -8.792 -3.530 255 H ARG 36 H ARG 36 14.239 -6.385 -0.448 256 HA ARG 36 HA ARG 36 11.882 -5.380 0.704 257 HB2 ARG 36 HB2 ARG 36 13.827 -6.125 2.063 258 HB3 ARG 36 HB3 ARG 36 14.757 -4.740 1.502 259 HG2 ARG 36 HG2 ARG 36 13.083 -3.225 2.613 260 HG3 ARG 36 HG3 ARG 36 12.272 -4.658 3.255 261 HD2 ARG 36 HD2 ARG 36 13.765 -3.666 4.926 262 HD3 ARG 36 HD3 ARG 36 14.319 -5.284 4.471 263 HE ARG 36 HE ARG 36 15.497 -2.820 3.308 264 HH11 ARG 36 HH11 ARG 36 15.958 -5.956 4.835 265 HH12 ARG 36 HH12 ARG 36 17.691 -5.848 4.790 266 HH21 ARG 36 HH21 ARG 36 17.748 -2.719 3.206 267 HH22 ARG 36 HH22 ARG 36 18.699 -4.014 3.861 268 H LYS 37 H LYS 37 14.705 -3.673 -0.593 269 HA LYS 37 HA LYS 37 13.865 -1.006 -0.474 270 HB2 LYS 37 HB2 LYS 37 16.150 -1.533 -1.099 271 HB3 LYS 37 HB3 LYS 37 15.617 -2.450 -2.499 272 HG2 LYS 37 HG2 LYS 37 14.682 -0.130 -3.350 273 HG3 LYS 37 HG3 LYS 37 15.762 0.548 -2.137 274 HD2 LYS 37 HD2 LYS 37 16.877 0.492 -4.307 275 HD3 LYS 37 HD3 LYS 37 17.677 -0.638 -3.212 276 HE2 LYS 37 HE2 LYS 37 16.423 -2.513 -4.249 277 HE3 LYS 37 HE3 LYS 37 15.635 -1.377 -5.346 278 HZ1 LYS 37 HZ1 LYS 37 17.508 -2.550 -6.340 279 HZ2 LYS 37 HZ2 LYS 37 18.559 -1.848 -5.214 280 HZ3 LYS 37 HZ3 LYS 37 17.740 -0.875 -6.330 281 H ALA 38 H ALA 38 12.851 -3.569 -2.667 282 HA ALA 38 HA ALA 38 12.084 -1.785 -4.819 283 HB1 ALA 38 HB1 ALA 38 11.612 -4.777 -4.464 284 HB2 ALA 38 HB2 ALA 38 12.981 -4.043 -5.301 285 HB3 ALA 38 HB3 ALA 38 11.349 -3.851 -5.949 286 H THR 39 H THR 39 10.544 -3.869 -2.388 287 HA THR 39 HA THR 39 7.828 -3.336 -3.078 288 HB THR 39 HB THR 39 8.942 -4.402 -0.435 289 HG1 THR 39 HG1 THR 39 9.390 -5.546 -2.580 290 HG21 THR 39 HG21 THR 39 6.171 -4.690 -1.661 291 HG22 THR 39 HG22 THR 39 6.571 -3.707 -0.253 292 HG23 THR 39 HG23 THR 39 6.722 -5.461 -0.167 293 H ILE 40 H ILE 40 10.113 -1.976 -0.695 294 HA ILE 40 HA ILE 40 8.345 -0.173 0.608 295 HB ILE 40 HB ILE 40 11.383 -0.191 0.324 296 HG12 ILE 40 HG12 ILE 40 10.389 -1.942 1.778 297 HG13 ILE 40 HG13 ILE 40 11.356 -0.816 2.720 298 HG21 ILE 40 HG21 ILE 40 10.800 2.178 0.533 299 HG22 ILE 40 HG22 ILE 40 11.526 1.613 2.036 300 HG23 ILE 40 HG23 ILE 40 9.778 1.836 1.933 301 HD11 ILE 40 HD11 ILE 40 9.320 -1.427 3.878 302 HD12 ILE 40 HD12 ILE 40 8.342 -0.834 2.539 303 HD13 ILE 40 HD13 ILE 40 9.311 0.293 3.495 304 H LEU 41 H LEU 41 10.804 0.484 -1.924 305 HA LEU 41 HA LEU 41 10.216 3.133 -2.517 306 HB2 LEU 41 HB2 LEU 41 12.203 2.559 -3.482 307 HB3 LEU 41 HB3 LEU 41 11.705 0.937 -3.845 308 HG LEU 41 HG LEU 41 10.675 3.164 -5.614 309 HD11 LEU 41 HD11 LEU 41 13.447 1.938 -5.911 310 HD12 LEU 41 HD12 LEU 41 13.107 3.603 -5.436 311 HD13 LEU 41 HD13 LEU 41 12.664 3.044 -7.048 312 HD21 LEU 41 HD21 LEU 41 10.759 1.422 -7.360 313 HD22 LEU 41 HD22 LEU 41 9.817 0.876 -5.971 314 HD23 LEU 41 HD23 LEU 41 11.465 0.282 -6.204 315 H GLN 42 H GLN 42 8.439 0.304 -3.435 316 HA GLN 42 HA GLN 42 6.948 1.511 -5.610 317 HB2 GLN 42 HB2 GLN 42 7.511 -0.948 -5.475 318 HB3 GLN 42 HB3 GLN 42 6.503 -1.068 -4.037 319 HG2 GLN 42 HG2 GLN 42 4.545 -0.355 -5.463 320 HG3 GLN 42 HG3 GLN 42 5.599 -0.472 -6.869 321 HE21 GLN 42 HE21 GLN 42 3.992 -2.279 -4.334 322 HE22 GLN 42 HE22 GLN 42 4.128 -3.828 -5.081 323 H THR 43 H THR 43 6.403 0.434 -2.267 324 HA THR 43 HA THR 43 3.654 1.055 -2.068 325 HB THR 43 HB THR 43 5.721 0.550 0.113 326 HG1 THR 43 HG1 THR 43 5.432 -1.481 -0.380 327 HG21 THR 43 HG21 THR 43 3.841 -0.046 1.588 328 HG22 THR 43 HG22 THR 43 2.691 0.442 0.342 329 HG23 THR 43 HG23 THR 43 3.733 1.646 1.101 330 H LEU 44 H LEU 44 6.545 2.978 -1.307 331 HA LEU 44 HA LEU 44 5.392 4.993 0.307 332 HB2 LEU 44 HB2 LEU 44 7.661 5.421 -1.685 333 HB3 LEU 44 HB3 LEU 44 7.309 6.404 -0.274 334 HG LEU 44 HG LEU 44 8.563 3.648 -0.392 335 HD11 LEU 44 HD11 LEU 44 9.559 6.201 0.886 336 HD12 LEU 44 HD12 LEU 44 10.086 5.522 -0.655 337 HD13 LEU 44 HD13 LEU 44 10.396 4.646 0.837 338 HD21 LEU 44 HD21 LEU 44 7.506 4.950 2.127 339 HD22 LEU 44 HD22 LEU 44 8.501 3.494 2.050 340 HD23 LEU 44 HD23 LEU 44 6.883 3.490 1.355 341 H ARG 45 H ARG 45 5.479 4.501 -3.142 342 HA ARG 45 HA ARG 45 4.285 7.111 -3.760 343 HB2 ARG 45 HB2 ARG 45 5.454 4.928 -5.524 344 HB3 ARG 45 HB3 ARG 45 4.763 6.436 -6.134 345 HG2 ARG 45 HG2 ARG 45 6.466 7.729 -4.924 346 HG3 ARG 45 HG3 ARG 45 7.144 6.239 -4.256 347 HD2 ARG 45 HD2 ARG 45 7.861 5.509 -6.431 348 HD3 ARG 45 HD3 ARG 45 6.982 6.817 -7.232 349 HE ARG 45 HE ARG 45 8.566 8.312 -5.880 350 HH11 ARG 45 HH11 ARG 45 9.554 5.193 -7.142 351 HH12 ARG 45 HH12 ARG 45 11.199 5.687 -7.387 352 HH21 ARG 45 HH21 ARG 45 10.675 8.961 -6.233 353 HH22 ARG 45 HH22 ARG 45 11.835 7.835 -6.869 354 H ILE 46 H ILE 46 3.359 3.754 -3.452 355 HA ILE 46 HA ILE 46 0.913 3.964 -4.967 356 HB ILE 46 HB ILE 46 1.691 1.950 -2.813 357 HG12 ILE 46 HG12 ILE 46 1.659 1.678 -5.856 358 HG13 ILE 46 HG13 ILE 46 3.095 1.796 -4.850 359 HG21 ILE 46 HG21 ILE 46 -0.217 0.573 -3.637 360 HG22 ILE 46 HG22 ILE 46 -0.703 1.897 -4.698 361 HG23 ILE 46 HG23 ILE 46 -0.758 2.104 -2.946 362 HD11 ILE 46 HD11 ILE 46 2.570 -0.332 -3.805 363 HD12 ILE 46 HD12 ILE 46 2.671 -0.489 -5.558 364 HD13 ILE 46 HD13 ILE 46 1.094 -0.463 -4.767 365 H GLU 47 H GLU 47 1.601 3.814 -1.449 366 HA GLU 47 HA GLU 47 -0.974 4.041 -0.489 367 HB2 GLU 47 HB2 GLU 47 1.600 4.962 0.819 368 HB3 GLU 47 HB3 GLU 47 0.063 4.815 1.668 369 HG2 GLU 47 HG2 GLU 47 1.634 2.563 0.383 370 HG3 GLU 47 HG3 GLU 47 1.516 2.906 2.108 371 H ARG 48 H ARG 48 1.307 6.720 -1.193 372 HA ARG 48 HA ARG 48 -0.304 8.825 -0.279 373 HB2 ARG 48 HB2 ARG 48 0.917 10.318 -1.876 374 HB3 ARG 48 HB3 ARG 48 1.953 9.362 -0.839 375 HG2 ARG 48 HG2 ARG 48 2.978 8.313 -2.577 376 HG3 ARG 48 HG3 ARG 48 1.464 8.057 -3.442 377 HD2 ARG 48 HD2 ARG 48 3.080 9.493 -4.686 378 HD3 ARG 48 HD3 ARG 48 1.539 10.301 -4.374 379 HE ARG 48 HE ARG 48 3.287 10.986 -2.303 380 HH11 ARG 48 HH11 ARG 48 3.130 11.501 -5.780 381 HH12 ARG 48 HH12 ARG 48 3.885 13.059 -5.702 382 HH21 ARG 48 HH21 ARG 48 4.247 13.045 -2.221 383 HH22 ARG 48 HH22 ARG 48 4.507 13.935 -3.687 384 H ASP 49 H ASP 49 -0.175 7.326 -3.523 385 HA ASP 49 HA ASP 49 -2.110 8.976 -4.778 386 HB2 ASP 49 HB2 ASP 49 -0.514 7.667 -6.115 387 HB3 ASP 49 HB3 ASP 49 -1.174 6.162 -5.478 388 H GLU 50 H GLU 50 -2.351 5.937 -2.985 389 HA GLU 50 HA GLU 50 -4.977 5.175 -3.551 390 HB2 GLU 50 HB2 GLU 50 -3.445 4.827 -0.936 391 HB3 GLU 50 HB3 GLU 50 -4.915 3.958 -1.371 392 HG2 GLU 50 HG2 GLU 50 -2.228 3.747 -2.747 393 HG3 GLU 50 HG3 GLU 50 -2.937 2.567 -1.652 394 H ARG 51 H ARG 51 -3.708 7.242 -0.961 395 HA ARG 51 HA ARG 51 -6.232 7.680 0.323 396 HB2 ARG 51 HB2 ARG 51 -3.664 9.291 0.611 397 HB3 ARG 51 HB3 ARG 51 -4.997 9.223 1.763 398 HG2 ARG 51 HG2 ARG 51 -4.497 6.865 2.229 399 HG3 ARG 51 HG3 ARG 51 -3.221 6.886 1.016 400 HD2 ARG 51 HD2 ARG 51 -2.091 7.095 3.082 401 HD3 ARG 51 HD3 ARG 51 -2.116 8.735 2.428 402 HE ARG 51 HE ARG 51 -4.052 7.764 4.446 403 HH11 ARG 51 HH11 ARG 51 -1.926 10.322 3.311 404 HH12 ARG 51 HH12 ARG 51 -2.225 11.329 4.688 405 HH21 ARG 51 HH21 ARG 51 -4.438 9.089 6.214 406 HH22 ARG 51 HH22 ARG 51 -3.646 10.625 6.337 407 H LEU 52 H LEU 52 -4.381 9.399 -2.158 408 HA LEU 52 HA LEU 52 -5.867 11.840 -2.176 409 HB2 LEU 52 HB2 LEU 52 -4.191 10.528 -4.355 410 HB3 LEU 52 HB3 LEU 52 -4.829 12.164 -4.455 411 HG LEU 52 HG LEU 52 -2.823 11.208 -2.374 412 HD11 LEU 52 HD11 LEU 52 -2.332 12.880 -4.851 413 HD12 LEU 52 HD12 LEU 52 -1.812 11.213 -4.586 414 HD13 LEU 52 HD13 LEU 52 -1.146 12.507 -3.594 415 HD21 LEU 52 HD21 LEU 52 -4.215 13.020 -1.532 416 HD22 LEU 52 HD22 LEU 52 -3.838 14.005 -2.950 417 HD23 LEU 52 HD23 LEU 52 -2.564 13.579 -1.802 418 H ARG 53 H ARG 53 -6.039 8.891 -4.215 419 HA ARG 53 HA ARG 53 -8.272 9.836 -5.778 420 HB2 ARG 53 HB2 ARG 53 -8.175 7.707 -6.931 421 HB3 ARG 53 HB3 ARG 53 -6.529 8.288 -6.697 422 HG2 ARG 53 HG2 ARG 53 -6.259 6.716 -4.792 423 HG3 ARG 53 HG3 ARG 53 -7.903 6.134 -5.050 424 HD2 ARG 53 HD2 ARG 53 -7.235 5.391 -7.338 425 HD3 ARG 53 HD3 ARG 53 -5.578 5.890 -6.982 426 HE ARG 53 HE ARG 53 -5.538 4.197 -5.215 427 HH11 ARG 53 HH11 ARG 53 -8.088 3.830 -7.634 428 HH12 ARG 53 HH12 ARG 53 -8.227 2.118 -7.384 429 HH21 ARG 53 HH21 ARG 53 -5.705 1.949 -4.958 430 HH22 ARG 53 HH22 ARG 53 -6.873 1.055 -5.877 431 H ALA 54 H ALA 54 -7.932 8.047 -2.818 432 HA ALA 54 HA ALA 54 -10.631 6.989 -2.760 433 HB1 ALA 54 HB1 ALA 54 -8.824 5.826 -1.566 434 HB2 ALA 54 HB2 ALA 54 -10.114 6.302 -0.463 435 HB3 ALA 54 HB3 ALA 54 -8.604 7.222 -0.507 436 H CYS 55 H CYS 55 -8.981 9.909 -1.724 437 HA CYS 55 HA CYS 55 -11.446 10.976 -0.470 438 HB2 CYS 55 HB2 CYS 55 -8.605 12.089 -0.479 439 HB3 CYS 55 HB3 CYS 55 -9.975 12.766 0.403 440 HG CYS 55 HG CYS 55 -7.872 10.412 1.326 441 H ASP 56 H ASP 56 -11.165 10.516 -3.344 442 HA ASP 56 HA ASP 56 -11.103 13.182 -4.572 443 HB2 ASP 56 HB2 ASP 56 -10.095 11.272 -5.782 444 HB3 ASP 56 HB3 ASP 56 -11.614 10.394 -5.715 445 H TRP 57 H TRP 57 -13.374 10.908 -3.269 446 HA TRP 57 HA TRP 57 -15.768 11.483 -4.561 447 HB2 TRP 57 HB2 TRP 57 -16.917 10.619 -2.558 448 HB3 TRP 57 HB3 TRP 57 -15.488 9.641 -2.890 449 HD1 TRP 57 HD1 TRP 57 -13.391 9.939 -1.184 450 HE1 TRP 57 HE1 TRP 57 -13.253 10.744 1.238 451 HE3 TRP 57 HE3 TRP 57 -17.969 12.186 -0.801 452 HZ2 TRP 57 HZ2 TRP 57 -14.830 12.147 3.075 453 HZ3 TRP 57 HZ3 TRP 57 -18.569 13.253 1.337 454 HH2 TRP 57 HH2 TRP 57 -17.024 13.227 3.233 455 H THR 58 H THR 58 -14.113 13.268 -2.054 456 HA THR 58 HA THR 58 -16.285 15.110 -1.489 457 HB THR 58 HB THR 58 -14.959 14.490 0.391 458 HG1 THR 58 HG1 THR 58 -14.851 16.449 1.129 459 HG21 THR 58 HG21 THR 58 -12.911 13.726 -0.731 460 HG22 THR 58 HG22 THR 58 -12.532 14.843 0.581 461 HG23 THR 58 HG23 THR 58 -12.472 15.400 -1.093 462 H GLN 59 H GLN 59 -13.597 14.967 -3.640 463 HA GLN 59 HA GLN 59 -13.247 17.850 -3.913 464 HB2 GLN 59 HB2 GLN 59 -11.899 15.540 -5.381 465 HB3 GLN 59 HB3 GLN 59 -11.403 17.230 -5.425 466 HG2 GLN 59 HG2 GLN 59 -11.371 15.440 -2.972 467 HG3 GLN 59 HG3 GLN 59 -9.969 15.895 -3.943 468 HE21 GLN 59 HE21 GLN 59 -12.306 17.009 -1.572 469 HE22 GLN 59 HE22 GLN 59 -11.486 18.470 -1.162 470 H VAL 60 H VAL 60 -14.962 15.282 -5.522 471 HA VAL 60 HA VAL 60 -15.261 16.530 -8.091 472 HB VAL 60 HB VAL 60 -15.488 14.042 -7.604 473 HG11 VAL 60 HG11 VAL 60 -16.912 14.127 -5.611 474 HG12 VAL 60 HG12 VAL 60 -17.677 13.156 -6.865 475 HG13 VAL 60 HG13 VAL 60 -18.242 14.797 -6.556 476 HG21 VAL 60 HG21 VAL 60 -16.171 14.946 -9.780 477 HG22 VAL 60 HG22 VAL 60 -17.778 15.317 -9.147 478 HG23 VAL 60 HG23 VAL 60 -17.254 13.636 -9.294 479 H GLN 61 H GLN 61 -17.194 17.488 -8.957 480 HA GLN 61 HA GLN 61 -18.531 19.340 -7.249 481 HB2 GLN 61 HB2 GLN 61 -19.500 20.259 -9.204 482 HB3 GLN 61 HB3 GLN 61 -17.935 19.665 -9.734 483 HG2 GLN 61 HG2 GLN 61 -20.601 18.282 -10.190 484 HG3 GLN 61 HG3 GLN 61 -19.721 19.233 -11.378 485 HE21 GLN 61 HE21 GLN 61 -20.594 16.355 -11.268 486 HE22 GLN 61 HE22 GLN 61 -19.163 15.466 -11.651 487 H ASP 62 H ASP 62 -19.202 16.112 -8.116 488 HA ASP 62 HA ASP 62 -22.011 16.026 -8.196 489 HB2 ASP 62 HB2 ASP 62 -20.619 14.207 -9.081 490 HB3 ASP 62 HB3 ASP 62 -19.991 13.861 -7.472 491 H VAL 63 H VAL 63 -19.758 15.522 -5.475 492 HA VAL 63 HA VAL 63 -21.716 14.630 -3.613 493 HB VAL 63 HB VAL 63 -19.239 14.105 -3.478 494 HG11 VAL 63 HG11 VAL 63 -17.711 15.717 -2.398 495 HG12 VAL 63 HG12 VAL 63 -18.985 16.935 -2.388 496 HG13 VAL 63 HG13 VAL 63 -18.332 16.354 -3.922 497 HG21 VAL 63 HG21 VAL 63 -20.486 15.280 -0.966 498 HG22 VAL 63 HG22 VAL 63 -19.128 14.152 -0.998 499 HG23 VAL 63 HG23 VAL 63 -20.716 13.634 -1.569 500 H VAL 64 H VAL 64 -22.722 15.716 -1.948 501 HA VAL 64 HA VAL 64 -22.892 18.658 -2.144 502 HB VAL 64 HB VAL 64 -24.827 16.772 -0.702 503 HG11 VAL 64 HG11 VAL 64 -25.111 19.699 -1.517 504 HG12 VAL 64 HG12 VAL 64 -24.909 19.088 0.129 505 HG13 VAL 64 HG13 VAL 64 -26.380 18.721 -0.775 506 HG21 VAL 64 HG21 VAL 64 -25.105 17.913 -3.515 507 HG22 VAL 64 HG22 VAL 64 -26.338 16.989 -2.651 508 HG23 VAL 64 HG23 VAL 64 -24.816 16.218 -3.108 509 H LEU 65 H LEU 65 -21.240 19.362 -0.877 510 HA LEU 65 HA LEU 65 -21.312 18.724 2.015 511 HB2 LEU 65 HB2 LEU 65 -18.785 18.878 0.311 512 HB3 LEU 65 HB3 LEU 65 -18.787 18.894 2.068 513 HG LEU 65 HG LEU 65 -19.747 16.575 0.341 514 HD11 LEU 65 HD11 LEU 65 -17.172 16.876 1.918 515 HD12 LEU 65 HD12 LEU 65 -17.341 16.838 0.160 516 HD13 LEU 65 HD13 LEU 65 -17.727 15.407 1.107 517 HD21 LEU 65 HD21 LEU 65 -20.949 16.654 2.464 518 HD22 LEU 65 HD22 LEU 65 -19.429 16.761 3.356 519 HD23 LEU 65 HD23 LEU 65 -19.825 15.294 2.452 520 H THR 66 H THR 66 -20.213 20.417 3.322 521 HA THR 66 HA THR 66 -20.823 23.103 2.383 522 HB THR 66 HB THR 66 -20.149 23.810 4.674 523 HG1 THR 66 HG1 THR 66 -19.412 22.243 6.150 524 HG21 THR 66 HG21 THR 66 -22.481 22.995 4.405 525 HG22 THR 66 HG22 THR 66 -21.846 22.588 5.999 526 HG23 THR 66 HG23 THR 66 -21.948 21.345 4.751 527 H ALA 67 H ALA 67 -19.166 24.852 2.604 528 HA ALA 67 HA ALA 67 -16.780 24.346 1.198 529 HB1 ALA 67 HB1 ALA 67 -16.123 26.644 1.810 530 HB2 ALA 67 HB2 ALA 67 -17.415 26.699 3.013 531 HB3 ALA 67 HB3 ALA 67 -17.813 26.581 1.299 532 H ASP 68 H ASP 68 -17.369 24.785 4.688 533 HA ASP 68 HA ASP 68 -14.905 24.462 5.826 534 HB2 ASP 68 HB2 ASP 68 -17.573 23.326 6.739 535 HB3 ASP 68 HB3 ASP 68 -16.129 23.249 7.733 536 H GLN 69 H GLN 69 -17.055 21.808 4.811 537 HA GLN 69 HA GLN 69 -15.292 19.675 5.612 538 HB2 GLN 69 HB2 GLN 69 -17.734 19.675 3.787 539 HB3 GLN 69 HB3 GLN 69 -16.851 18.208 4.222 540 HG2 GLN 69 HG2 GLN 69 -17.348 18.575 6.588 541 HG3 GLN 69 HG3 GLN 69 -18.193 20.074 6.205 542 HE21 GLN 69 HE21 GLN 69 -20.236 19.970 5.257 543 HE22 GLN 69 HE22 GLN 69 -21.158 18.509 5.204 544 H LYS 70 H LYS 70 -16.120 21.044 2.424 545 HA LYS 70 HA LYS 70 -14.474 19.353 0.865 546 HB2 LYS 70 HB2 LYS 70 -16.003 21.905 0.352 547 HB3 LYS 70 HB3 LYS 70 -14.832 21.382 -0.856 548 HG2 LYS 70 HG2 LYS 70 -15.982 19.309 -1.219 549 HG3 LYS 70 HG3 LYS 70 -17.046 19.582 0.163 550 HD2 LYS 70 HD2 LYS 70 -18.257 21.307 -0.971 551 HD3 LYS 70 HD3 LYS 70 -17.022 21.458 -2.230 552 HE2 LYS 70 HE2 LYS 70 -18.750 18.987 -1.824 553 HE3 LYS 70 HE3 LYS 70 -19.115 20.272 -2.973 554 HZ1 LYS 70 HZ1 LYS 70 -17.981 18.448 -4.052 555 HZ2 LYS 70 HZ2 LYS 70 -16.673 18.585 -2.990 556 HZ3 LYS 70 HZ3 LYS 70 -17.008 19.833 -4.077 557 H ALA 71 H ALA 71 -13.656 22.179 2.693 558 HA ALA 71 HA ALA 71 -11.369 22.931 0.979 559 HB1 ALA 71 HB1 ALA 71 -11.078 24.858 2.508 560 HB2 ALA 71 HB2 ALA 71 -12.391 24.258 3.523 561 HB3 ALA 71 HB3 ALA 71 -12.725 24.791 1.877 562 H THR 72 H THR 72 -11.996 22.203 4.366 563 HA THR 72 HA THR 72 -9.528 21.443 5.332 564 HB THR 72 HB THR 72 -12.192 20.095 5.961 565 HG1 THR 72 HG1 THR 72 -12.065 22.412 6.286 566 HG21 THR 72 HG21 THR 72 -11.197 19.513 8.155 567 HG22 THR 72 HG22 THR 72 -9.639 20.152 7.627 568 HG23 THR 72 HG23 THR 72 -10.324 18.734 6.831 569 H TRP 73 H TRP 73 -11.746 19.399 3.419 570 HA TRP 73 HA TRP 73 -10.107 17.059 3.354 571 HB2 TRP 73 HB2 TRP 73 -12.577 17.980 1.910 572 HB3 TRP 73 HB3 TRP 73 -11.657 16.692 1.152 573 HD1 TRP 73 HD1 TRP 73 -14.492 17.046 3.417 574 HE1 TRP 73 HE1 TRP 73 -14.892 14.877 4.737 575 HE3 TRP 73 HE3 TRP 73 -10.005 14.710 2.560 576 HZ2 TRP 73 HZ2 TRP 73 -13.510 12.508 5.340 577 HZ3 TRP 73 HZ3 TRP 73 -9.636 12.483 3.552 578 HH2 TRP 73 HH2 TRP 73 -11.357 11.409 4.914 579 H ALA 74 H ALA 74 -10.477 19.833 1.171 580 HA ALA 74 HA ALA 74 -8.725 18.903 -0.888 581 HB1 ALA 74 HB1 ALA 74 -10.412 20.644 -1.308 582 HB2 ALA 74 HB2 ALA 74 -8.797 21.225 -1.719 583 HB3 ALA 74 HB3 ALA 74 -9.569 21.744 -0.216 584 H LYS 75 H LYS 75 -8.262 20.460 2.172 585 HA LYS 75 HA LYS 75 -5.618 21.525 1.701 586 HB2 LYS 75 HB2 LYS 75 -7.223 22.533 3.326 587 HB3 LYS 75 HB3 LYS 75 -7.168 21.064 4.291 588 HG2 LYS 75 HG2 LYS 75 -4.735 21.472 4.702 589 HG3 LYS 75 HG3 LYS 75 -4.867 22.985 3.801 590 HD2 LYS 75 HD2 LYS 75 -6.372 22.308 6.361 591 HD3 LYS 75 HD3 LYS 75 -4.958 23.354 6.243 592 HE2 LYS 75 HE2 LYS 75 -6.218 24.960 4.886 593 HE3 LYS 75 HE3 LYS 75 -7.627 23.896 4.892 594 HZ1 LYS 75 HZ1 LYS 75 -7.794 25.689 6.519 595 HZ2 LYS 75 HZ2 LYS 75 -6.414 25.117 7.309 596 HZ3 LYS 75 HZ3 LYS 75 -7.807 24.166 7.257 597 H TYR 76 H TYR 76 -7.083 18.744 3.313 598 HA TYR 76 HA TYR 76 -4.812 17.362 4.207 599 HB2 TYR 76 HB2 TYR 76 -6.866 16.500 5.004 600 HB3 TYR 76 HB3 TYR 76 -7.634 16.567 3.424 601 HD1 TYR 76 HD2 TYR 76 -5.016 14.663 5.359 602 HD2 TYR 76 HD1 TYR 76 -7.799 14.591 2.115 603 HE1 TYR 76 HE2 TYR 76 -4.594 12.270 5.034 604 HE2 TYR 76 HE1 TYR 76 -7.354 12.208 1.785 605 HH TYR 76 HH TYR 76 -5.732 10.306 4.061 606 H ARG 77 H ARG 77 -6.562 17.143 1.119 607 HA ARG 77 HA ARG 77 -5.018 15.142 -0.131 608 HB2 ARG 77 HB2 ARG 77 -7.270 15.756 -0.940 609 HB3 ARG 77 HB3 ARG 77 -6.706 17.374 -1.353 610 HG2 ARG 77 HG2 ARG 77 -5.237 16.440 -3.097 611 HG3 ARG 77 HG3 ARG 77 -5.745 14.805 -2.671 612 HD2 ARG 77 HD2 ARG 77 -8.015 15.264 -3.413 613 HD3 ARG 77 HD3 ARG 77 -7.623 16.963 -3.681 614 HE ARG 77 HE ARG 77 -6.301 16.361 -5.560 615 HH11 ARG 77 HH11 ARG 77 -8.110 13.611 -4.285 616 HH12 ARG 77 HH12 ARG 77 -7.962 12.698 -5.750 617 HH21 ARG 77 HH21 ARG 77 -6.139 15.163 -7.451 618 HH22 ARG 77 HH22 ARG 77 -6.824 13.570 -7.542 619 H GLN 78 H GLN 78 -4.927 18.702 -0.458 620 HA GLN 78 HA GLN 78 -2.778 18.937 -2.197 621 HB2 GLN 78 HB2 GLN 78 -4.380 20.758 -1.680 622 HB3 GLN 78 HB3 GLN 78 -3.693 20.921 -0.071 623 HG2 GLN 78 HG2 GLN 78 -2.903 22.676 -1.609 624 HG3 GLN 78 HG3 GLN 78 -1.583 21.685 -0.996 625 HE21 GLN 78 HE21 GLN 78 -3.758 20.661 -3.602 626 HE22 GLN 78 HE22 GLN 78 -2.560 20.692 -4.835 627 H ALA 79 H ALA 79 -2.805 18.839 1.354 628 HA ALA 79 HA ALA 79 -0.052 19.498 1.730 629 HB1 ALA 79 HB1 ALA 79 -0.372 18.765 4.053 630 HB2 ALA 79 HB2 ALA 79 -1.927 18.038 3.628 631 HB3 ALA 79 HB3 ALA 79 -1.711 19.786 3.527 632 H LEU 80 H LEU 80 -1.809 16.395 1.483 633 HA LEU 80 HA LEU 80 0.228 14.606 1.982 634 HB2 LEU 80 HB2 LEU 80 -2.362 14.387 1.619 635 HB3 LEU 80 HB3 LEU 80 -1.960 14.172 -0.073 636 HG LEU 80 HG LEU 80 -0.974 12.358 2.172 637 HD11 LEU 80 HD11 LEU 80 -2.655 10.743 1.419 638 HD12 LEU 80 HD12 LEU 80 -3.305 11.928 0.282 639 HD13 LEU 80 HD13 LEU 80 -3.394 12.224 2.023 640 HD21 LEU 80 HD21 LEU 80 -0.896 11.943 -0.837 641 HD22 LEU 80 HD22 LEU 80 -0.410 10.764 0.386 642 HD23 LEU 80 HD23 LEU 80 0.487 12.268 0.211 643 H ARG 81 H ARG 81 -0.836 15.919 -1.198 644 HA ARG 81 HA ARG 81 1.348 14.708 -2.624 645 HB2 ARG 81 HB2 ARG 81 0.516 15.924 -4.613 646 HB3 ARG 81 HB3 ARG 81 -0.729 15.005 -3.799 647 HG2 ARG 81 HG2 ARG 81 -2.006 16.846 -4.075 648 HG3 ARG 81 HG3 ARG 81 -1.147 17.472 -2.676 649 HD2 ARG 81 HD2 ARG 81 -0.128 17.959 -5.490 650 HD3 ARG 81 HD3 ARG 81 -1.383 18.976 -4.784 651 HE ARG 81 HE ARG 81 0.351 19.334 -2.921 652 HH11 ARG 81 HH11 ARG 81 1.330 18.792 -6.248 653 HH12 ARG 81 HH12 ARG 81 2.634 19.934 -6.184 654 HH21 ARG 81 HH21 ARG 81 2.068 20.839 -2.848 655 HH22 ARG 81 HH22 ARG 81 3.061 21.091 -4.248 656 H ASP 82 H ASP 82 0.933 17.687 -0.925 657 HA ASP 82 HA ASP 82 3.047 19.222 -2.087 658 HB2 ASP 82 HB2 ASP 82 1.300 20.309 -0.699 659 HB3 ASP 82 HB3 ASP 82 1.845 19.416 0.714 660 H LEU 83 H LEU 83 2.867 16.874 0.551 661 HA LEU 83 HA LEU 83 5.672 16.831 1.159 662 HB2 LEU 83 HB2 LEU 83 4.011 15.925 2.752 663 HB3 LEU 83 HB3 LEU 83 3.481 14.745 1.564 664 HG LEU 83 HG LEU 83 5.793 13.713 1.650 665 HD11 LEU 83 HD11 LEU 83 6.232 15.523 4.034 666 HD12 LEU 83 HD12 LEU 83 7.056 15.626 2.477 667 HD13 LEU 83 HD13 LEU 83 7.288 14.211 3.499 668 HD21 LEU 83 HD21 LEU 83 3.915 12.712 2.853 669 HD22 LEU 83 HD22 LEU 83 4.268 13.707 4.270 670 HD23 LEU 83 HD23 LEU 83 5.428 12.491 3.729 671 HA PRO 84 HA PRO 84 6.365 14.625 -2.799 672 HB2 PRO 84 HB2 PRO 84 8.981 15.205 -3.141 673 HB3 PRO 84 HB3 PRO 84 7.736 16.446 -3.352 674 HG2 PRO 84 HG2 PRO 84 9.549 15.958 -0.994 675 HG3 PRO 84 HG3 PRO 84 9.089 17.499 -1.748 676 HD2 PRO 84 HD2 PRO 84 7.892 16.463 0.540 677 HD3 PRO 84 HD3 PRO 84 7.121 17.631 -0.550 678 H GLU 85 H GLU 85 7.174 12.610 -3.300 679 HA GLU 85 HA GLU 85 8.214 10.911 -1.201 680 HB2 GLU 85 HB2 GLU 85 8.341 9.219 -3.278 681 HB3 GLU 85 HB3 GLU 85 6.817 9.610 -2.510 682 HG2 GLU 85 HG2 GLU 85 6.650 9.535 -4.968 683 HG3 GLU 85 HG3 GLU 85 6.195 11.103 -4.300 684 H THR 86 H THR 86 10.201 9.741 -1.331 685 HA THR 86 HA THR 86 12.280 10.541 -3.183 686 HB THR 86 HB THR 86 12.473 12.323 -1.460 687 HG1 THR 86 HG1 THR 86 14.613 12.192 -1.496 688 HG21 THR 86 HG21 THR 86 13.007 10.069 0.520 689 HG22 THR 86 HG22 THR 86 11.598 11.138 0.520 690 HG23 THR 86 HG23 THR 86 13.208 11.791 0.846 691 H VAL 87 H VAL 87 14.017 9.126 -3.210 692 HA VAL 87 HA VAL 87 13.697 6.586 -1.716 693 HB VAL 87 HB VAL 87 14.949 5.485 -3.559 694 HG11 VAL 87 HG11 VAL 87 13.165 5.554 -5.273 695 HG12 VAL 87 HG12 VAL 87 12.504 7.021 -4.543 696 HG13 VAL 87 HG13 VAL 87 12.489 5.501 -3.644 697 HG21 VAL 87 HG21 VAL 87 14.867 8.189 -4.980 698 HG22 VAL 87 HG22 VAL 87 15.405 6.668 -5.696 699 HG23 VAL 87 HG23 VAL 87 16.310 7.378 -4.362 700 H THR 88 H THR 88 15.866 9.242 -2.433 701 HA THR 88 HA THR 88 18.007 8.016 -0.779 702 HB THR 88 HB THR 88 19.697 9.190 -2.276 703 HG1 THR 88 HG1 THR 88 17.459 9.464 -4.035 704 HG21 THR 88 HG21 THR 88 17.995 7.087 -3.681 705 HG22 THR 88 HG22 THR 88 19.308 6.758 -2.550 706 HG23 THR 88 HG23 THR 88 19.659 7.516 -4.103 707 H ASP 89 H ASP 89 16.449 9.349 0.671 708 HA ASP 89 HA ASP 89 18.110 11.513 1.585 709 HB2 ASP 89 HB2 ASP 89 16.652 12.840 0.127 710 HB3 ASP 89 HB3 ASP 89 15.213 12.094 0.810 711 H LEU 90 H LEU 90 14.684 10.923 2.373 712 HA LEU 90 HA LEU 90 15.447 9.374 4.773 713 HB2 LEU 90 HB2 LEU 90 13.330 11.580 4.665 714 HB3 LEU 90 HB3 LEU 90 13.606 10.515 6.035 715 HG LEU 90 HG LEU 90 15.494 12.668 4.997 716 HD11 LEU 90 HD11 LEU 90 13.982 12.515 7.622 717 HD12 LEU 90 HD12 LEU 90 13.594 13.548 6.246 718 HD13 LEU 90 HD13 LEU 90 15.099 13.792 7.120 719 HD21 LEU 90 HD21 LEU 90 16.984 12.130 6.887 720 HD22 LEU 90 HD22 LEU 90 16.842 10.792 5.756 721 HD23 LEU 90 HD23 LEU 90 15.975 10.734 7.290 722 H SER 91 H SER 91 14.617 7.379 4.416 723 HA SER 91 HA SER 91 12.256 6.946 2.743 724 HB2 SER 91 HB2 SER 91 14.166 4.980 4.071 725 HB3 SER 91 HB3 SER 91 12.821 4.509 3.029 726 HG SER 91 HG SER 91 14.418 6.407 1.886 727 H GLN 92 H GLN 92 11.284 8.315 4.633 728 HA GLN 92 HA GLN 92 9.533 6.444 6.084 729 HB2 GLN 92 HB2 GLN 92 10.644 9.065 7.201 730 HB3 GLN 92 HB3 GLN 92 9.285 8.192 7.908 731 HG2 GLN 92 HG2 GLN 92 10.790 6.234 8.283 732 HG3 GLN 92 HG3 GLN 92 12.148 7.196 7.695 733 HE21 GLN 92 HE21 GLN 92 11.761 5.970 10.303 734 HE22 GLN 92 HE22 GLN 92 11.842 7.243 11.467 735 H ILE 93 H ILE 93 7.351 7.252 6.280 736 HA ILE 93 HA ILE 93 6.630 9.373 4.344 737 HB ILE 93 HB ILE 93 4.747 7.786 3.557 738 HG12 ILE 93 HG12 ILE 93 6.597 5.625 4.699 739 HG13 ILE 93 HG13 ILE 93 5.045 6.074 5.392 740 HG21 ILE 93 HG21 ILE 93 7.610 7.111 2.802 741 HG22 ILE 93 HG22 ILE 93 6.627 8.407 2.118 742 HG23 ILE 93 HG23 ILE 93 6.177 6.723 1.840 743 HD11 ILE 93 HD11 ILE 93 3.885 5.250 3.441 744 HD12 ILE 93 HD12 ILE 93 4.957 4.003 4.075 745 HD13 ILE 93 HD13 ILE 93 5.416 4.907 2.635 746 H VAL 94 H VAL 94 6.094 10.731 6.107 747 HA VAL 94 HA VAL 94 3.762 9.890 7.744 748 HB VAL 94 HB VAL 94 5.809 12.043 8.459 749 HG11 VAL 94 HG11 VAL 94 4.764 11.976 10.708 750 HG12 VAL 94 HG12 VAL 94 3.590 10.793 10.133 751 HG13 VAL 94 HG13 VAL 94 3.593 12.427 9.466 752 HG21 VAL 94 HG21 VAL 94 6.923 9.849 8.501 753 HG22 VAL 94 HG22 VAL 94 5.650 9.196 9.539 754 HG23 VAL 94 HG23 VAL 94 6.717 10.468 10.142 755 H TRP 95 H TRP 95 2.308 10.491 6.196 756 HA TRP 95 HA TRP 95 2.176 13.288 5.258 757 HB2 TRP 95 HB2 TRP 95 0.246 12.103 3.776 758 HB3 TRP 95 HB3 TRP 95 1.933 12.083 3.307 759 HD1 TRP 95 HD1 TRP 95 -0.173 9.670 5.586 760 HE1 TRP 95 HE1 TRP 95 0.288 7.275 4.757 761 HE3 TRP 95 HE3 TRP 95 3.021 10.737 1.752 762 HZ2 TRP 95 HZ2 TRP 95 1.825 6.011 2.772 763 HZ3 TRP 95 HZ3 TRP 95 3.937 8.879 0.427 764 HH2 TRP 95 HH2 TRP 95 3.348 6.562 0.928 765 HA PRO 96 HA PRO 96 -1.166 14.671 7.795 766 HB2 PRO 96 HB2 PRO 96 -3.229 15.306 5.944 767 HB3 PRO 96 HB3 PRO 96 -1.914 16.370 6.448 768 HG2 PRO 96 HG2 PRO 96 -2.090 14.586 4.031 769 HG3 PRO 96 HG3 PRO 96 -1.482 16.253 4.153 770 HD2 PRO 96 HD2 PRO 96 0.247 14.255 4.012 771 HD3 PRO 96 HD3 PRO 96 0.547 15.564 5.182 772 H GLN 97 H GLN 97 -2.596 13.660 9.029 773 HA GLN 97 HA GLN 97 -4.047 11.277 8.152 774 HB2 GLN 97 HB2 GLN 97 -3.143 11.250 10.414 775 HB3 GLN 97 HB3 GLN 97 -3.963 12.755 10.821 776 HG2 GLN 97 HG2 GLN 97 -6.111 11.692 10.830 777 HG3 GLN 97 HG3 GLN 97 -5.474 10.232 10.081 778 HE21 GLN 97 HE21 GLN 97 -4.283 8.780 11.327 779 HE22 GLN 97 HE22 GLN 97 -4.329 8.790 13.053 780 H LEU 98 H LEU 98 -6.296 11.212 7.770 781 HA LEU 98 HA LEU 98 -7.341 13.679 6.763 782 HB2 LEU 98 HB2 LEU 98 -9.285 12.272 6.028 783 HB3 LEU 98 HB3 LEU 98 -7.717 11.751 5.457 784 HG LEU 98 HG LEU 98 -7.818 10.018 7.423 785 HD11 LEU 98 HD11 LEU 98 -10.056 9.236 8.023 786 HD12 LEU 98 HD12 LEU 98 -10.779 10.601 7.165 787 HD13 LEU 98 HD13 LEU 98 -9.778 10.881 8.593 788 HD21 LEU 98 HD21 LEU 98 -8.957 8.387 5.988 789 HD22 LEU 98 HD22 LEU 98 -7.839 9.391 5.069 790 HD23 LEU 98 HD23 LEU 98 -9.577 9.697 4.977 791 HA PRO 99 HA PRO 99 -9.271 15.494 10.151 792 HB2 PRO 99 HB2 PRO 99 -11.641 16.530 9.149 793 HB3 PRO 99 HB3 PRO 99 -10.045 17.201 8.794 794 HG2 PRO 99 HG2 PRO 99 -11.685 15.259 7.151 795 HG3 PRO 99 HG3 PRO 99 -10.848 16.737 6.620 796 HD2 PRO 99 HD2 PRO 99 -9.732 14.349 6.219 797 HD3 PRO 99 HD3 PRO 99 -8.719 15.717 6.735 798 H VAL 100 H VAL 100 -11.328 13.086 8.597 799 HA VAL 100 HA VAL 100 -13.349 13.022 10.649 800 HB VAL 100 HB VAL 100 -12.803 10.968 8.445 801 HG11 VAL 100 HG11 VAL 100 -14.206 10.023 10.246 802 HG12 VAL 100 HG12 VAL 100 -15.164 10.263 8.783 803 HG13 VAL 100 HG13 VAL 100 -15.314 11.397 10.130 804 HG21 VAL 100 HG21 VAL 100 -14.557 12.128 7.157 805 HG22 VAL 100 HG22 VAL 100 -13.220 13.221 7.527 806 HG23 VAL 100 HG23 VAL 100 -14.727 13.327 8.441 Start of MODEL 4 1 H MET 1 H MET 1 6.684 -4.644 6.359 2 HA MET 1 HA MET 1 4.552 -5.187 4.411 3 HB2 MET 1 HB2 MET 1 6.167 -4.365 2.679 4 HB3 MET 1 HB3 MET 1 5.635 -3.110 3.788 5 HG2 MET 1 HG2 MET 1 7.970 -2.797 3.359 6 HG3 MET 1 HG3 MET 1 7.798 -3.346 5.024 7 HE1 MET 1 HE1 MET 1 9.209 -4.051 1.478 8 HE2 MET 1 HE2 MET 1 7.929 -5.266 1.526 9 HE3 MET 1 HE3 MET 1 9.616 -5.768 1.550 10 H LEU 2 H LEU 2 5.365 -6.543 2.660 11 HA LEU 2 HA LEU 2 7.634 -8.342 3.297 12 HB2 LEU 2 HB2 LEU 2 6.279 -10.300 2.463 13 HB3 LEU 2 HB3 LEU 2 5.773 -9.632 3.998 14 HG LEU 2 HG LEU 2 3.942 -8.381 2.631 15 HD11 LEU 2 HD11 LEU 2 4.739 -8.781 0.372 16 HD12 LEU 2 HD12 LEU 2 3.142 -9.482 0.601 17 HD13 LEU 2 HD13 LEU 2 4.566 -10.526 0.592 18 HD21 LEU 2 HD21 LEU 2 3.777 -11.388 2.976 19 HD22 LEU 2 HD22 LEU 2 2.403 -10.286 2.824 20 HD23 LEU 2 HD23 LEU 2 3.469 -10.175 4.222 21 H LEU 3 H LEU 3 8.658 -9.295 1.468 22 HA LEU 3 HA LEU 3 9.092 -7.497 -0.598 23 HB2 LEU 3 HB2 LEU 3 9.892 -10.429 -0.652 24 HB3 LEU 3 HB3 LEU 3 10.771 -9.059 -1.319 25 HG LEU 3 HG LEU 3 10.433 -9.661 1.655 26 HD11 LEU 3 HD11 LEU 3 12.813 -10.241 1.653 27 HD12 LEU 3 HD12 LEU 3 12.881 -10.018 -0.098 28 HD13 LEU 3 HD13 LEU 3 11.892 -11.310 0.591 29 HD21 LEU 3 HD21 LEU 3 12.061 -7.519 0.266 30 HD22 LEU 3 HD22 LEU 3 12.107 -7.882 1.988 31 HD23 LEU 3 HD23 LEU 3 10.627 -7.273 1.260 32 H HIS 4 H HIS 4 7.255 -7.121 -1.923 33 HA HIS 4 HA HIS 4 5.516 -8.744 -3.191 34 HB2 HIS 4 HB2 HIS 4 5.629 -6.279 -3.424 35 HB3 HIS 4 HB3 HIS 4 7.043 -6.434 -4.457 36 HD1 HIS 4 HD1 HIS 4 3.374 -7.403 -4.430 37 HD2 HIS 4 HD2 HIS 4 6.421 -6.563 -7.132 38 HE1 HIS 4 HE1 HIS 4 2.281 -7.394 -6.697 39 HE2 HIS 4 HE2 HIS 4 4.173 -7.043 -8.326 40 H SER 5 H SER 5 8.944 -8.559 -3.940 41 HA SER 5 HA SER 5 8.900 -11.092 -5.311 42 HB2 SER 5 HB2 SER 5 10.053 -10.216 -7.395 43 HB3 SER 5 HB3 SER 5 8.372 -9.705 -7.259 44 HG SER 5 HG SER 5 10.719 -8.216 -7.090 45 H VAL 6 H VAL 6 10.788 -12.147 -4.835 46 HA VAL 6 HA VAL 6 13.233 -10.596 -4.216 47 HB VAL 6 HB VAL 6 12.112 -11.293 -2.049 48 HG11 VAL 6 HG11 VAL 6 12.761 -14.141 -2.900 49 HG12 VAL 6 HG12 VAL 6 11.141 -13.448 -2.789 50 HG13 VAL 6 HG13 VAL 6 12.119 -13.645 -1.331 51 HG21 VAL 6 HG21 VAL 6 14.167 -12.170 -0.961 52 HG22 VAL 6 HG22 VAL 6 14.540 -10.870 -2.092 53 HG23 VAL 6 HG23 VAL 6 14.850 -12.547 -2.546 54 H GLU 7 H GLU 7 15.172 -11.657 -4.699 55 HA GLU 7 HA GLU 7 14.979 -13.861 -6.618 56 HB2 GLU 7 HB2 GLU 7 17.279 -11.995 -5.881 57 HB3 GLU 7 HB3 GLU 7 17.370 -13.261 -7.108 58 HG2 GLU 7 HG2 GLU 7 15.638 -12.175 -8.432 59 HG3 GLU 7 HG3 GLU 7 15.399 -10.951 -7.187 60 H THR 8 H THR 8 15.533 -15.873 -6.135 61 HA THR 8 HA THR 8 16.978 -16.558 -3.636 62 HB THR 8 HB THR 8 15.465 -18.597 -3.510 63 HG1 THR 8 HG1 THR 8 14.040 -17.200 -5.548 64 HG21 THR 8 HG21 THR 8 14.981 -16.671 -2.077 65 HG22 THR 8 HG22 THR 8 13.485 -17.429 -2.611 66 HG23 THR 8 HG23 THR 8 14.024 -15.927 -3.365 67 HA PRO 9 HA PRO 9 19.524 -19.322 -6.244 68 HB2 PRO 9 HB2 PRO 9 19.662 -21.637 -4.692 69 HB3 PRO 9 HB3 PRO 9 20.651 -20.197 -4.412 70 HG2 PRO 9 HG2 PRO 9 18.052 -20.990 -3.086 71 HG3 PRO 9 HG3 PRO 9 19.551 -20.398 -2.331 72 HD2 PRO 9 HD2 PRO 9 17.512 -18.718 -2.709 73 HD3 PRO 9 HD3 PRO 9 19.170 -18.165 -3.040 74 H ARG 10 H ARG 10 16.477 -20.435 -4.966 75 HA ARG 10 HA ARG 10 16.089 -22.502 -7.003 76 HB2 ARG 10 HB2 ARG 10 13.880 -22.874 -5.766 77 HB3 ARG 10 HB3 ARG 10 15.351 -23.192 -4.862 78 HG2 ARG 10 HG2 ARG 10 15.109 -21.139 -3.603 79 HG3 ARG 10 HG3 ARG 10 13.752 -20.623 -4.609 80 HD2 ARG 10 HD2 ARG 10 13.159 -21.586 -2.305 81 HD3 ARG 10 HD3 ARG 10 12.307 -22.273 -3.686 82 HE ARG 10 HE ARG 10 13.608 -24.260 -3.493 83 HH11 ARG 10 HH11 ARG 10 14.271 -22.060 -0.834 84 HH12 ARG 10 HH12 ARG 10 14.792 -23.317 0.230 85 HH21 ARG 10 HH21 ARG 10 14.317 -25.881 -2.094 86 HH22 ARG 10 HH22 ARG 10 14.843 -25.478 -0.495 87 H GLY 11 H GLY 11 15.772 -19.243 -7.251 88 HA2 GLY 11 HA2 GLY 11 14.896 -18.777 -9.613 89 HA3 GLY 11 HA3 GLY 11 13.366 -19.390 -9.006 90 H GLU 12 H GLU 12 12.062 -17.618 -8.948 91 HA GLU 12 HA GLU 12 12.841 -15.421 -7.120 92 HB2 GLU 12 HB2 GLU 12 12.955 -14.527 -9.407 93 HB3 GLU 12 HB3 GLU 12 11.348 -15.145 -9.772 94 HG2 GLU 12 HG2 GLU 12 10.329 -13.563 -8.219 95 HG3 GLU 12 HG3 GLU 12 11.917 -13.031 -7.664 96 H ILE 13 H ILE 13 11.131 -14.648 -5.817 97 HA ILE 13 HA ILE 13 8.789 -16.450 -5.611 98 HB ILE 13 HB ILE 13 10.362 -15.395 -3.211 99 HG12 ILE 13 HG12 ILE 13 11.839 -16.955 -4.399 100 HG13 ILE 13 HG13 ILE 13 11.293 -17.675 -2.893 101 HG21 ILE 13 HG21 ILE 13 9.058 -17.059 -1.923 102 HG22 ILE 13 HG22 ILE 13 8.182 -17.508 -3.387 103 HG23 ILE 13 HG23 ILE 13 8.014 -15.880 -2.725 104 HD11 ILE 13 HD11 ILE 13 11.378 -19.294 -4.668 105 HD12 ILE 13 HD12 ILE 13 10.282 -18.330 -5.655 106 HD13 ILE 13 HD13 ILE 13 9.711 -19.059 -4.150 107 H LEU 14 H LEU 14 7.004 -15.292 -5.745 108 HA LEU 14 HA LEU 14 6.998 -12.391 -5.413 109 HB2 LEU 14 HB2 LEU 14 4.783 -14.270 -6.340 110 HB3 LEU 14 HB3 LEU 14 4.777 -12.513 -6.466 111 HG LEU 14 HG LEU 14 6.651 -14.402 -7.962 112 HD11 LEU 14 HD11 LEU 14 4.382 -14.516 -8.824 113 HD12 LEU 14 HD12 LEU 14 5.440 -13.710 -9.978 114 HD13 LEU 14 HD13 LEU 14 4.323 -12.757 -8.994 115 HD21 LEU 14 HD21 LEU 14 7.427 -12.391 -9.183 116 HD22 LEU 14 HD22 LEU 14 7.808 -12.315 -7.467 117 HD23 LEU 14 HD23 LEU 14 6.460 -11.373 -8.107 118 H ASN 15 H ASN 15 6.362 -11.451 -3.604 119 HA ASN 15 HA ASN 15 5.313 -10.832 -1.732 120 HB2 ASN 15 HB2 ASN 15 3.156 -12.752 -2.671 121 HB3 ASN 15 HB3 ASN 15 2.955 -11.603 -1.347 122 HD21 ASN 15 HD21 ASN 15 3.275 -11.961 -4.813 123 HD22 ASN 15 HD22 ASN 15 2.803 -10.349 -5.229 124 H VAL 16 H VAL 16 6.787 -11.465 -0.303 125 HA VAL 16 HA VAL 16 6.329 -13.693 1.474 126 HB VAL 16 HB VAL 16 7.464 -14.938 -0.276 127 HG11 VAL 16 HG11 VAL 16 9.648 -14.326 -1.224 128 HG12 VAL 16 HG12 VAL 16 9.660 -12.843 -0.269 129 HG13 VAL 16 HG13 VAL 16 8.453 -13.062 -1.540 130 HG21 VAL 16 HG21 VAL 16 8.203 -15.488 2.007 131 HG22 VAL 16 HG22 VAL 16 9.498 -14.299 1.886 132 HG23 VAL 16 HG23 VAL 16 9.513 -15.725 0.848 133 H SER 17 H SER 17 7.159 -13.138 3.497 134 HA SER 17 HA SER 17 8.317 -10.577 3.967 135 HB2 SER 17 HB2 SER 17 8.156 -12.996 5.817 136 HB3 SER 17 HB3 SER 17 8.498 -11.334 6.315 137 HG SER 17 HG SER 17 6.111 -12.522 5.692 138 H GLU 18 H GLU 18 10.460 -10.189 5.097 139 HA GLU 18 HA GLU 18 12.622 -11.144 3.529 140 HB2 GLU 18 HB2 GLU 18 12.846 -9.834 6.276 141 HB3 GLU 18 HB3 GLU 18 14.088 -9.902 5.031 142 HG2 GLU 18 HG2 GLU 18 13.329 -7.714 4.834 143 HG3 GLU 18 HG3 GLU 18 12.404 -8.535 3.594 144 H GLN 19 H GLN 19 11.294 -12.083 6.586 145 HA GLN 19 HA GLN 19 13.524 -13.619 7.545 146 HB2 GLN 19 HB2 GLN 19 10.642 -13.589 8.559 147 HB3 GLN 19 HB3 GLN 19 12.040 -14.235 9.408 148 HG2 GLN 19 HG2 GLN 19 11.549 -12.132 10.417 149 HG3 GLN 19 HG3 GLN 19 12.998 -11.887 9.445 150 HE21 GLN 19 HE21 GLN 19 12.687 -9.651 9.245 151 HE22 GLN 19 HE22 GLN 19 11.423 -8.956 8.293 152 H GLU 20 H GLU 20 10.306 -14.374 6.185 153 HA GLU 20 HA GLU 20 10.560 -17.200 6.115 154 HB2 GLU 20 HB2 GLU 20 8.361 -16.167 5.906 155 HB3 GLU 20 HB3 GLU 20 8.846 -15.278 4.467 156 HG2 GLU 20 HG2 GLU 20 8.921 -17.305 3.148 157 HG3 GLU 20 HG3 GLU 20 8.682 -18.306 4.571 158 H ALA 21 H ALA 21 11.094 -14.742 3.586 159 HA ALA 21 HA ALA 21 12.050 -16.201 1.500 160 HB1 ALA 21 HB1 ALA 21 13.285 -14.203 0.775 161 HB2 ALA 21 HB2 ALA 21 13.136 -13.519 2.399 162 HB3 ALA 21 HB3 ALA 21 11.693 -13.777 1.414 163 H ARG 22 H ARG 22 14.105 -15.007 4.224 164 HA ARG 22 HA ARG 22 16.515 -16.203 3.214 165 HB2 ARG 22 HB2 ARG 22 15.854 -15.109 5.980 166 HB3 ARG 22 HB3 ARG 22 17.466 -15.639 5.496 167 HG2 ARG 22 HG2 ARG 22 17.531 -13.907 3.763 168 HG3 ARG 22 HG3 ARG 22 15.893 -13.410 4.182 169 HD2 ARG 22 HD2 ARG 22 17.387 -11.830 5.179 170 HD3 ARG 22 HD3 ARG 22 16.740 -12.828 6.482 171 HE ARG 22 HE ARG 22 19.359 -13.512 5.334 172 HH11 ARG 22 HH11 ARG 22 17.528 -12.370 8.106 173 HH12 ARG 22 HH12 ARG 22 18.900 -12.386 9.170 174 HH21 ARG 22 HH21 ARG 22 21.137 -13.542 6.717 175 HH22 ARG 22 HH22 ARG 22 20.961 -13.046 8.372 176 H ASP 23 H ASP 23 14.012 -17.256 5.492 177 HA ASP 23 HA ASP 23 15.599 -19.374 6.668 178 HB2 ASP 23 HB2 ASP 23 13.917 -18.159 8.009 179 HB3 ASP 23 HB3 ASP 23 12.630 -18.695 6.931 180 H VAL 24 H VAL 24 12.539 -19.388 4.838 181 HA VAL 24 HA VAL 24 12.643 -22.226 4.337 182 HB VAL 24 HB VAL 24 10.709 -20.166 3.151 183 HG11 VAL 24 HG11 VAL 24 9.170 -22.089 2.896 184 HG12 VAL 24 HG12 VAL 24 10.411 -23.173 3.528 185 HG13 VAL 24 HG13 VAL 24 10.661 -22.339 1.992 186 HG21 VAL 24 HG21 VAL 24 9.163 -20.701 5.010 187 HG22 VAL 24 HG22 VAL 24 10.665 -19.992 5.613 188 HG23 VAL 24 HG23 VAL 24 10.397 -21.734 5.745 189 H PHE 25 H PHE 25 12.619 -19.323 2.232 190 HA PHE 25 HA PHE 25 13.088 -20.886 -0.159 191 HB2 PHE 25 HB2 PHE 25 12.846 -17.878 0.240 192 HB3 PHE 25 HB3 PHE 25 12.931 -18.680 -1.327 193 HD1 PHE 25 HD1 PHE 25 11.103 -20.339 -1.963 194 HD2 PHE 25 HD2 PHE 25 10.725 -17.694 1.376 195 HE1 PHE 25 HE1 PHE 25 8.668 -20.678 -1.964 196 HE2 PHE 25 HE2 PHE 25 8.287 -18.036 1.359 197 HZ PHE 25 HZ PHE 25 7.259 -19.527 -0.305 198 H GLY 26 H GLY 26 15.114 -19.141 2.045 199 HA2 GLY 26 HA2 GLY 26 17.393 -19.164 2.271 200 HA3 GLY 26 HA3 GLY 26 17.492 -20.226 0.876 201 H ALA 27 H ALA 27 16.017 -17.034 0.846 202 HA ALA 27 HA ALA 27 17.448 -16.101 -1.411 203 HB1 ALA 27 HB1 ALA 27 16.279 -13.976 -1.036 204 HB2 ALA 27 HB2 ALA 27 15.792 -14.508 0.577 205 HB3 ALA 27 HB3 ALA 27 15.172 -15.338 -0.846 206 H SER 28 H SER 28 19.023 -14.495 -1.605 207 HA SER 28 HA SER 28 21.087 -14.534 0.374 208 HB2 SER 28 HB2 SER 28 20.890 -12.817 -2.150 209 HB3 SER 28 HB3 SER 28 22.351 -13.156 -1.225 210 HG SER 28 HG SER 28 21.994 -15.406 -1.758 211 H GLU 29 H GLU 29 22.025 -12.667 1.379 212 HA GLU 29 HA GLU 29 20.074 -10.992 2.667 213 HB2 GLU 29 HB2 GLU 29 23.112 -10.880 2.757 214 HB3 GLU 29 HB3 GLU 29 22.018 -10.083 3.893 215 HG2 GLU 29 HG2 GLU 29 21.184 -12.220 4.686 216 HG3 GLU 29 HG3 GLU 29 22.101 -13.085 3.454 217 H GLN 30 H GLN 30 22.307 -10.551 0.005 218 HA GLN 30 HA GLN 30 21.879 -7.710 -0.351 219 HB2 GLN 30 HB2 GLN 30 22.996 -9.787 -2.292 220 HB3 GLN 30 HB3 GLN 30 23.032 -8.041 -2.540 221 HG2 GLN 30 HG2 GLN 30 24.459 -7.815 -0.509 222 HG3 GLN 30 HG3 GLN 30 24.480 -9.572 -0.354 223 HE21 GLN 30 HE21 GLN 30 25.673 -10.798 -1.904 224 HE22 GLN 30 HE22 GLN 30 26.874 -10.061 -2.906 225 H ALA 31 H ALA 31 20.329 -10.681 -1.365 226 HA ALA 31 HA ALA 31 18.680 -9.538 -3.453 227 HB1 ALA 31 HB1 ALA 31 17.577 -11.741 -3.498 228 HB2 ALA 31 HB2 ALA 31 18.437 -12.221 -2.031 229 HB3 ALA 31 HB3 ALA 31 19.330 -11.926 -3.524 230 H ILE 32 H ILE 32 18.552 -9.629 0.006 231 HA ILE 32 HA ILE 32 15.636 -9.643 0.236 232 HB ILE 32 HB ILE 32 17.885 -9.554 2.309 233 HG12 ILE 32 HG12 ILE 32 17.507 -11.777 1.258 234 HG13 ILE 32 HG13 ILE 32 17.127 -11.781 2.968 235 HG21 ILE 32 HG21 ILE 32 16.106 -9.763 4.047 236 HG22 ILE 32 HG22 ILE 32 14.885 -9.489 2.801 237 HG23 ILE 32 HG23 ILE 32 16.051 -8.224 3.186 238 HD11 ILE 32 HD11 ILE 32 15.146 -11.668 0.713 239 HD12 ILE 32 HD12 ILE 32 14.756 -11.660 2.438 240 HD13 ILE 32 HD13 ILE 32 15.543 -13.061 1.718 241 H ALA 33 H ALA 33 18.378 -7.675 1.467 242 HA ALA 33 HA ALA 33 17.398 -5.228 1.778 243 HB1 ALA 33 HB1 ALA 33 19.601 -4.314 1.171 244 HB2 ALA 33 HB2 ALA 33 20.006 -5.834 0.362 245 HB3 ALA 33 HB3 ALA 33 19.748 -5.805 2.108 246 H ASP 34 H ASP 34 18.440 -6.397 -1.464 247 HA ASP 34 HA ASP 34 17.665 -4.225 -3.017 248 HB2 ASP 34 HB2 ASP 34 18.992 -6.219 -3.796 249 HB3 ASP 34 HB3 ASP 34 17.509 -7.167 -3.811 250 H ALA 35 H ALA 35 15.763 -7.130 -2.229 251 HA ALA 35 HA ALA 35 13.451 -6.515 -3.697 252 HB1 ALA 35 HB1 ALA 35 14.012 -8.774 -2.941 253 HB2 ALA 35 HB2 ALA 35 12.382 -8.325 -2.429 254 HB3 ALA 35 HB3 ALA 35 13.715 -8.304 -1.266 255 H ARG 36 H ARG 36 14.178 -5.996 -0.312 256 HA ARG 36 HA ARG 36 11.641 -5.045 0.516 257 HB2 ARG 36 HB2 ARG 36 13.355 -5.970 2.110 258 HB3 ARG 36 HB3 ARG 36 14.303 -4.498 1.909 259 HG2 ARG 36 HG2 ARG 36 12.357 -3.173 2.795 260 HG3 ARG 36 HG3 ARG 36 11.488 -4.683 3.065 261 HD2 ARG 36 HD2 ARG 36 12.483 -3.848 5.146 262 HD3 ARG 36 HD3 ARG 36 13.209 -5.389 4.680 263 HE ARG 36 HE ARG 36 15.033 -3.871 3.650 264 HH11 ARG 36 HH11 ARG 36 13.308 -2.998 6.559 265 HH12 ARG 36 HH12 ARG 36 14.684 -2.249 7.299 266 HH21 ARG 36 HH21 ARG 36 16.848 -2.898 4.607 267 HH22 ARG 36 HH22 ARG 36 16.708 -2.202 6.190 268 H LYS 37 H LYS 37 14.664 -3.415 -0.421 269 HA LYS 37 HA LYS 37 13.781 -0.746 -0.140 270 HB2 LYS 37 HB2 LYS 37 16.154 -1.266 -0.430 271 HB3 LYS 37 HB3 LYS 37 15.852 -1.975 -2.012 272 HG2 LYS 37 HG2 LYS 37 15.103 0.314 -2.807 273 HG3 LYS 37 HG3 LYS 37 15.618 0.955 -1.251 274 HD2 LYS 37 HD2 LYS 37 17.356 1.337 -2.903 275 HD3 LYS 37 HD3 LYS 37 17.929 0.158 -1.720 276 HE2 LYS 37 HE2 LYS 37 17.389 -1.677 -3.323 277 HE3 LYS 37 HE3 LYS 37 16.852 -0.478 -4.500 278 HZ1 LYS 37 HZ1 LYS 37 19.595 -0.794 -3.424 279 HZ2 LYS 37 HZ2 LYS 37 19.109 0.451 -4.456 280 HZ3 LYS 37 HZ3 LYS 37 19.067 -1.155 -4.988 281 H ALA 38 H ALA 38 13.278 -3.174 -2.643 282 HA ALA 38 HA ALA 38 12.594 -1.276 -4.720 283 HB1 ALA 38 HB1 ALA 38 12.319 -4.307 -4.663 284 HB2 ALA 38 HB2 ALA 38 13.699 -3.408 -5.288 285 HB3 ALA 38 HB3 ALA 38 12.135 -3.278 -6.088 286 H THR 39 H THR 39 10.947 -3.330 -2.371 287 HA THR 39 HA THR 39 8.302 -3.037 -3.490 288 HB THR 39 HB THR 39 9.140 -4.147 -0.765 289 HG1 THR 39 HG1 THR 39 9.841 -5.218 -2.877 290 HG21 THR 39 HG21 THR 39 6.948 -5.303 -0.805 291 HG22 THR 39 HG22 THR 39 6.528 -4.467 -2.301 292 HG23 THR 39 HG23 THR 39 6.743 -3.550 -0.806 293 H ILE 40 H ILE 40 10.187 -1.643 -0.809 294 HA ILE 40 HA ILE 40 8.206 0.069 0.270 295 HB ILE 40 HB ILE 40 11.250 0.143 0.362 296 HG12 ILE 40 HG12 ILE 40 10.087 -1.616 1.709 297 HG13 ILE 40 HG13 ILE 40 10.964 -0.482 2.726 298 HG21 ILE 40 HG21 ILE 40 11.122 1.952 2.064 299 HG22 ILE 40 HG22 ILE 40 9.399 2.126 1.730 300 HG23 ILE 40 HG23 ILE 40 10.579 2.491 0.470 301 HD11 ILE 40 HD11 ILE 40 8.870 0.649 3.287 302 HD12 ILE 40 HD12 ILE 40 8.815 -1.063 3.688 303 HD13 ILE 40 HD13 ILE 40 7.979 -0.473 2.255 304 H LEU 41 H LEU 41 10.908 0.785 -1.957 305 HA LEU 41 HA LEU 41 10.356 3.431 -2.588 306 HB2 LEU 41 HB2 LEU 41 12.456 2.826 -3.257 307 HB3 LEU 41 HB3 LEU 41 11.975 1.235 -3.773 308 HG LEU 41 HG LEU 41 11.255 3.593 -5.526 309 HD11 LEU 41 HD11 LEU 41 13.978 2.244 -5.513 310 HD12 LEU 41 HD12 LEU 41 13.648 3.906 -5.017 311 HD13 LEU 41 HD13 LEU 41 13.402 3.431 -6.695 312 HD21 LEU 41 HD21 LEU 41 12.001 0.709 -6.158 313 HD22 LEU 41 HD22 LEU 41 11.538 1.940 -7.339 314 HD23 LEU 41 HD23 LEU 41 10.368 1.378 -6.147 315 H GLN 42 H GLN 42 8.918 0.525 -3.931 316 HA GLN 42 HA GLN 42 7.560 1.782 -6.138 317 HB2 GLN 42 HB2 GLN 42 8.175 -0.633 -6.098 318 HB3 GLN 42 HB3 GLN 42 7.087 -0.888 -4.744 319 HG2 GLN 42 HG2 GLN 42 6.074 -1.695 -6.799 320 HG3 GLN 42 HG3 GLN 42 5.165 -0.313 -6.185 321 HE21 GLN 42 HE21 GLN 42 7.361 -1.423 -8.667 322 HE22 GLN 42 HE22 GLN 42 7.092 -0.126 -9.776 323 H THR 43 H THR 43 6.717 0.612 -2.925 324 HA THR 43 HA THR 43 3.992 1.171 -2.773 325 HB THR 43 HB THR 43 6.121 0.967 -0.615 326 HG1 THR 43 HG1 THR 43 5.340 -0.884 -1.920 327 HG21 THR 43 HG21 THR 43 4.374 2.379 0.392 328 HG22 THR 43 HG22 THR 43 4.327 0.763 1.099 329 HG23 THR 43 HG23 THR 43 3.125 1.233 -0.103 330 H LEU 44 H LEU 44 6.781 3.308 -2.073 331 HA LEU 44 HA LEU 44 5.398 5.459 -0.849 332 HB2 LEU 44 HB2 LEU 44 7.869 5.832 -2.587 333 HB3 LEU 44 HB3 LEU 44 7.350 6.809 -1.220 334 HG LEU 44 HG LEU 44 8.647 4.068 -1.190 335 HD11 LEU 44 HD11 LEU 44 10.372 5.137 0.151 336 HD12 LEU 44 HD12 LEU 44 9.514 6.678 0.056 337 HD13 LEU 44 HD13 LEU 44 10.168 5.938 -1.408 338 HD21 LEU 44 HD21 LEU 44 7.393 5.438 1.211 339 HD22 LEU 44 HD22 LEU 44 8.429 4.012 1.266 340 HD23 LEU 44 HD23 LEU 44 6.868 3.929 0.459 341 H ARG 45 H ARG 45 6.467 5.009 -4.217 342 HA ARG 45 HA ARG 45 5.372 7.390 -5.282 343 HB2 ARG 45 HB2 ARG 45 7.241 6.054 -6.285 344 HB3 ARG 45 HB3 ARG 45 6.087 4.791 -6.699 345 HG2 ARG 45 HG2 ARG 45 4.920 6.338 -8.225 346 HG3 ARG 45 HG3 ARG 45 6.043 7.631 -7.789 347 HD2 ARG 45 HD2 ARG 45 6.637 6.582 -9.949 348 HD3 ARG 45 HD3 ARG 45 7.914 6.366 -8.745 349 HE ARG 45 HE ARG 45 6.070 4.164 -8.835 350 HH11 ARG 45 HH11 ARG 45 8.924 5.472 -10.407 351 HH12 ARG 45 HH12 ARG 45 9.463 3.928 -10.976 352 HH21 ARG 45 HH21 ARG 45 6.784 2.160 -9.558 353 HH22 ARG 45 HH22 ARG 45 8.241 2.049 -10.487 354 H ILE 46 H ILE 46 4.069 4.121 -4.864 355 HA ILE 46 HA ILE 46 1.635 4.527 -6.332 356 HB ILE 46 HB ILE 46 2.491 2.407 -4.322 357 HG12 ILE 46 HG12 ILE 46 2.093 2.309 -7.350 358 HG13 ILE 46 HG13 ILE 46 3.636 2.308 -6.504 359 HG21 ILE 46 HG21 ILE 46 0.491 1.081 -4.925 360 HG22 ILE 46 HG22 ILE 46 -0.128 2.449 -5.850 361 HG23 ILE 46 HG23 ILE 46 0.064 2.583 -4.101 362 HD11 ILE 46 HD11 ILE 46 1.565 0.111 -6.430 363 HD12 ILE 46 HD12 ILE 46 3.086 0.117 -5.533 364 HD13 ILE 46 HD13 ILE 46 3.104 0.097 -7.294 365 H GLU 47 H GLU 47 2.618 5.020 -2.952 366 HA GLU 47 HA GLU 47 0.105 5.138 -1.692 367 HB2 GLU 47 HB2 GLU 47 2.807 6.302 -0.979 368 HB3 GLU 47 HB3 GLU 47 1.403 6.762 -0.027 369 HG2 GLU 47 HG2 GLU 47 2.417 3.942 -0.406 370 HG3 GLU 47 HG3 GLU 47 2.691 4.949 1.011 371 H ARG 48 H ARG 48 2.039 7.735 -3.207 372 HA ARG 48 HA ARG 48 0.492 9.958 -2.612 373 HB2 ARG 48 HB2 ARG 48 2.620 10.159 -3.805 374 HB3 ARG 48 HB3 ARG 48 1.946 9.350 -5.220 375 HG2 ARG 48 HG2 ARG 48 0.349 11.255 -5.518 376 HG3 ARG 48 HG3 ARG 48 1.071 12.057 -4.121 377 HD2 ARG 48 HD2 ARG 48 2.394 11.456 -6.784 378 HD3 ARG 48 HD3 ARG 48 1.994 13.043 -6.117 379 HE ARG 48 HE ARG 48 4.267 11.397 -5.502 380 HH11 ARG 48 HH11 ARG 48 2.415 14.166 -4.469 381 HH12 ARG 48 HH12 ARG 48 3.512 14.581 -3.193 382 HH21 ARG 48 HH21 ARG 48 5.674 11.885 -3.834 383 HH22 ARG 48 HH22 ARG 48 5.385 13.281 -2.838 384 H ASP 49 H ASP 49 0.185 7.818 -5.439 385 HA ASP 49 HA ASP 49 -2.028 9.124 -6.606 386 HB2 ASP 49 HB2 ASP 49 -0.496 7.583 -7.854 387 HB3 ASP 49 HB3 ASP 49 -1.161 6.214 -6.966 388 H GLU 50 H GLU 50 -1.804 6.237 -4.538 389 HA GLU 50 HA GLU 50 -4.499 5.474 -4.542 390 HB2 GLU 50 HB2 GLU 50 -2.348 5.021 -2.446 391 HB3 GLU 50 HB3 GLU 50 -3.911 4.205 -2.445 392 HG2 GLU 50 HG2 GLU 50 -1.837 4.006 -4.643 393 HG3 GLU 50 HG3 GLU 50 -2.067 2.824 -3.358 394 H ARG 51 H ARG 51 -2.790 7.793 -2.469 395 HA ARG 51 HA ARG 51 -5.008 8.096 -0.617 396 HB2 ARG 51 HB2 ARG 51 -2.410 9.650 -0.930 397 HB3 ARG 51 HB3 ARG 51 -3.602 9.969 0.330 398 HG2 ARG 51 HG2 ARG 51 -3.259 7.657 1.211 399 HG3 ARG 51 HG3 ARG 51 -2.019 7.393 -0.022 400 HD2 ARG 51 HD2 ARG 51 -0.720 9.307 0.928 401 HD3 ARG 51 HD3 ARG 51 -1.944 9.476 2.190 402 HE ARG 51 HE ARG 51 -0.643 6.876 1.972 403 HH11 ARG 51 HH11 ARG 51 -0.724 9.980 3.645 404 HH12 ARG 51 HH12 ARG 51 0.189 9.401 4.999 405 HH21 ARG 51 HH21 ARG 51 0.573 6.151 3.716 406 HH22 ARG 51 HH22 ARG 51 0.931 7.219 5.041 407 H LEU 52 H LEU 52 -3.754 9.850 -3.438 408 HA LEU 52 HA LEU 52 -5.451 12.139 -3.184 409 HB2 LEU 52 HB2 LEU 52 -3.647 11.064 -5.345 410 HB3 LEU 52 HB3 LEU 52 -4.848 12.257 -5.809 411 HG LEU 52 HG LEU 52 -3.883 13.904 -4.245 412 HD11 LEU 52 HD11 LEU 52 -1.870 13.561 -2.993 413 HD12 LEU 52 HD12 LEU 52 -1.783 11.884 -3.522 414 HD13 LEU 52 HD13 LEU 52 -3.107 12.411 -2.485 415 HD21 LEU 52 HD21 LEU 52 -1.765 12.680 -6.030 416 HD22 LEU 52 HD22 LEU 52 -1.757 14.326 -5.388 417 HD23 LEU 52 HD23 LEU 52 -3.005 13.833 -6.529 418 H ARG 53 H ARG 53 -5.792 9.045 -4.940 419 HA ARG 53 HA ARG 53 -8.434 9.682 -5.965 420 HB2 ARG 53 HB2 ARG 53 -8.531 7.306 -6.692 421 HB3 ARG 53 HB3 ARG 53 -7.051 8.096 -7.221 422 HG2 ARG 53 HG2 ARG 53 -5.842 7.018 -5.326 423 HG3 ARG 53 HG3 ARG 53 -7.319 6.159 -4.901 424 HD2 ARG 53 HD2 ARG 53 -5.898 5.912 -7.577 425 HD3 ARG 53 HD3 ARG 53 -5.658 4.813 -6.213 426 HE ARG 53 HE ARG 53 -8.376 5.178 -7.249 427 HH11 ARG 53 HH11 ARG 53 -5.570 3.093 -6.994 428 HH12 ARG 53 HH12 ARG 53 -6.449 1.667 -7.448 429 HH21 ARG 53 HH21 ARG 53 -9.511 3.310 -7.836 430 HH22 ARG 53 HH22 ARG 53 -8.681 1.790 -7.921 431 H ALA 54 H ALA 54 -7.128 8.394 -2.995 432 HA ALA 54 HA ALA 54 -9.611 7.403 -1.918 433 HB1 ALA 54 HB1 ALA 54 -7.142 8.332 -0.409 434 HB2 ALA 54 HB2 ALA 54 -7.409 6.702 -1.031 435 HB3 ALA 54 HB3 ALA 54 -8.460 7.344 0.231 436 H CYS 55 H CYS 55 -8.669 10.515 -2.712 437 HA CYS 55 HA CYS 55 -10.558 11.787 -0.827 438 HB2 CYS 55 HB2 CYS 55 -8.635 13.124 -2.773 439 HB3 CYS 55 HB3 CYS 55 -9.568 13.907 -1.499 440 HG CYS 55 HG CYS 55 -7.561 11.476 -0.403 441 H ASP 56 H ASP 56 -10.560 10.393 -3.881 442 HA ASP 56 HA ASP 56 -11.763 12.292 -5.566 443 HB2 ASP 56 HB2 ASP 56 -10.728 10.186 -6.381 444 HB3 ASP 56 HB3 ASP 56 -12.037 9.253 -5.666 445 H TRP 57 H TRP 57 -13.195 10.124 -3.185 446 HA TRP 57 HA TRP 57 -15.919 10.474 -3.891 447 HB2 TRP 57 HB2 TRP 57 -16.471 9.474 -1.746 448 HB3 TRP 57 HB3 TRP 57 -15.127 8.601 -2.467 449 HD1 TRP 57 HD1 TRP 57 -12.581 9.340 -1.370 450 HE1 TRP 57 HE1 TRP 57 -12.016 9.786 1.096 451 HE3 TRP 57 HE3 TRP 57 -17.295 10.263 0.399 452 HZ2 TRP 57 HZ2 TRP 57 -13.381 10.423 3.485 453 HZ3 TRP 57 HZ3 TRP 57 -17.583 10.793 2.789 454 HH2 TRP 57 HH2 TRP 57 -15.661 10.872 4.299 455 H THR 58 H THR 58 -13.739 12.395 -1.811 456 HA THR 58 HA THR 58 -15.881 14.046 -0.752 457 HB THR 58 HB THR 58 -14.080 15.447 0.248 458 HG1 THR 58 HG1 THR 58 -11.926 14.014 -0.089 459 HG21 THR 58 HG21 THR 58 -14.896 13.429 1.422 460 HG22 THR 58 HG22 THR 58 -13.207 13.779 1.775 461 HG23 THR 58 HG23 THR 58 -13.620 12.489 0.650 462 H GLN 59 H GLN 59 -13.873 14.039 -3.562 463 HA GLN 59 HA GLN 59 -14.209 16.910 -4.110 464 HB2 GLN 59 HB2 GLN 59 -12.577 14.844 -5.657 465 HB3 GLN 59 HB3 GLN 59 -12.508 16.597 -5.844 466 HG2 GLN 59 HG2 GLN 59 -11.647 15.006 -3.413 467 HG3 GLN 59 HG3 GLN 59 -10.587 15.796 -4.569 468 HE21 GLN 59 HE21 GLN 59 -10.932 16.094 -1.606 469 HE22 GLN 59 HE22 GLN 59 -11.181 17.786 -1.354 470 H VAL 60 H VAL 60 -15.705 13.945 -4.966 471 HA VAL 60 HA VAL 60 -16.895 14.922 -7.456 472 HB VAL 60 HB VAL 60 -16.467 12.455 -7.074 473 HG11 VAL 60 HG11 VAL 60 -18.768 12.615 -5.100 474 HG12 VAL 60 HG12 VAL 60 -17.083 12.282 -4.708 475 HG13 VAL 60 HG13 VAL 60 -18.003 11.125 -5.670 476 HG21 VAL 60 HG21 VAL 60 -19.378 13.152 -7.624 477 HG22 VAL 60 HG22 VAL 60 -18.587 11.638 -8.069 478 HG23 VAL 60 HG23 VAL 60 -18.074 13.155 -8.812 479 H GLN 61 H GLN 61 -19.160 15.493 -7.668 480 HA GLN 61 HA GLN 61 -20.200 17.013 -5.458 481 HB2 GLN 61 HB2 GLN 61 -21.969 17.717 -7.003 482 HB3 GLN 61 HB3 GLN 61 -20.391 17.824 -7.774 483 HG2 GLN 61 HG2 GLN 61 -20.827 15.781 -9.045 484 HG3 GLN 61 HG3 GLN 61 -22.362 15.554 -8.215 485 HE21 GLN 61 HE21 GLN 61 -24.111 16.883 -8.752 486 HE22 GLN 61 HE22 GLN 61 -24.130 17.837 -10.194 487 H ASP 62 H ASP 62 -20.457 13.756 -6.100 488 HA ASP 62 HA ASP 62 -23.189 13.213 -5.502 489 HB2 ASP 62 HB2 ASP 62 -21.799 11.607 -6.730 490 HB3 ASP 62 HB3 ASP 62 -20.703 11.450 -5.360 491 H VAL 63 H VAL 63 -20.361 13.789 -3.469 492 HA VAL 63 HA VAL 63 -21.529 12.581 -1.092 493 HB VAL 63 HB VAL 63 -19.049 12.473 -1.667 494 HG11 VAL 63 HG11 VAL 63 -19.027 15.365 -0.713 495 HG12 VAL 63 HG12 VAL 63 -18.671 14.813 -2.350 496 HG13 VAL 63 HG13 VAL 63 -17.598 14.380 -1.020 497 HG21 VAL 63 HG21 VAL 63 -19.853 11.855 0.573 498 HG22 VAL 63 HG22 VAL 63 -19.775 13.544 1.086 499 HG23 VAL 63 HG23 VAL 63 -18.292 12.672 0.688 500 H VAL 64 H VAL 64 -22.159 13.675 0.779 501 HA VAL 64 HA VAL 64 -22.408 16.616 0.641 502 HB VAL 64 HB VAL 64 -24.633 15.626 0.554 503 HG11 VAL 64 HG11 VAL 64 -25.585 14.231 2.356 504 HG12 VAL 64 HG12 VAL 64 -24.014 14.184 3.162 505 HG13 VAL 64 HG13 VAL 64 -24.217 13.433 1.576 506 HG21 VAL 64 HG21 VAL 64 -24.384 17.740 1.779 507 HG22 VAL 64 HG22 VAL 64 -24.115 16.861 3.288 508 HG23 VAL 64 HG23 VAL 64 -25.682 16.770 2.475 509 H LEU 65 H LEU 65 -20.792 17.411 1.765 510 HA LEU 65 HA LEU 65 -20.342 16.609 4.574 511 HB2 LEU 65 HB2 LEU 65 -18.209 17.087 2.444 512 HB3 LEU 65 HB3 LEU 65 -17.850 17.076 4.158 513 HG LEU 65 HG LEU 65 -18.941 14.671 2.640 514 HD11 LEU 65 HD11 LEU 65 -16.696 15.253 1.818 515 HD12 LEU 65 HD12 LEU 65 -16.676 13.747 2.729 516 HD13 LEU 65 HD13 LEU 65 -16.071 15.232 3.473 517 HD21 LEU 65 HD21 LEU 65 -18.248 13.412 4.661 518 HD22 LEU 65 HD22 LEU 65 -19.487 14.612 5.018 519 HD23 LEU 65 HD23 LEU 65 -17.802 14.933 5.445 520 H THR 66 H THR 66 -19.327 18.392 5.806 521 HA THR 66 HA THR 66 -20.348 20.989 5.160 522 HB THR 66 HB THR 66 -19.104 21.774 7.168 523 HG1 THR 66 HG1 THR 66 -18.068 19.778 8.312 524 HG21 THR 66 HG21 THR 66 -20.501 19.105 7.662 525 HG22 THR 66 HG22 THR 66 -21.301 20.677 7.540 526 HG23 THR 66 HG23 THR 66 -20.192 20.351 8.874 527 H ALA 67 H ALA 67 -19.059 22.947 4.839 528 HA ALA 67 HA ALA 67 -17.090 22.909 2.880 529 HB1 ALA 67 HB1 ALA 67 -16.598 25.247 3.527 530 HB2 ALA 67 HB2 ALA 67 -17.486 25.012 5.036 531 HB3 ALA 67 HB3 ALA 67 -18.339 24.937 3.495 532 H ASP 68 H ASP 68 -16.708 23.097 6.403 533 HA ASP 68 HA ASP 68 -14.035 23.022 6.866 534 HB2 ASP 68 HB2 ASP 68 -16.060 21.238 8.286 535 HB3 ASP 68 HB3 ASP 68 -14.472 21.670 8.899 536 H GLN 69 H GLN 69 -16.010 20.142 6.184 537 HA GLN 69 HA GLN 69 -13.844 18.260 6.408 538 HB2 GLN 69 HB2 GLN 69 -16.632 17.913 5.228 539 HB3 GLN 69 HB3 GLN 69 -15.482 16.593 5.438 540 HG2 GLN 69 HG2 GLN 69 -16.500 18.306 7.715 541 HG3 GLN 69 HG3 GLN 69 -17.248 16.795 7.217 542 HE21 GLN 69 HE21 GLN 69 -16.907 15.940 9.268 543 HE22 GLN 69 HE22 GLN 69 -15.358 15.392 9.793 544 H LYS 70 H LYS 70 -15.586 19.574 3.557 545 HA LYS 70 HA LYS 70 -14.145 18.053 1.628 546 HB2 LYS 70 HB2 LYS 70 -15.911 20.516 1.401 547 HB3 LYS 70 HB3 LYS 70 -15.159 19.766 -0.009 548 HG2 LYS 70 HG2 LYS 70 -16.352 17.688 0.397 549 HG3 LYS 70 HG3 LYS 70 -17.031 18.329 1.898 550 HD2 LYS 70 HD2 LYS 70 -18.377 19.929 0.691 551 HD3 LYS 70 HD3 LYS 70 -17.568 19.552 -0.838 552 HE2 LYS 70 HE2 LYS 70 -18.523 17.255 -0.724 553 HE3 LYS 70 HE3 LYS 70 -19.344 17.686 0.774 554 HZ1 LYS 70 HZ1 LYS 70 -19.788 18.930 -1.876 555 HZ2 LYS 70 HZ2 LYS 70 -20.573 19.373 -0.446 556 HZ3 LYS 70 HZ3 LYS 70 -20.814 17.834 -1.103 557 H ALA 71 H ALA 71 -13.381 21.019 3.264 558 HA ALA 71 HA ALA 71 -11.527 21.975 1.174 559 HB1 ALA 71 HB1 ALA 71 -11.166 23.927 2.645 560 HB2 ALA 71 HB2 ALA 71 -12.186 23.193 3.887 561 HB3 ALA 71 HB3 ALA 71 -12.886 23.679 2.342 562 H THR 72 H THR 72 -11.476 21.069 4.592 563 HA THR 72 HA THR 72 -8.814 20.553 5.101 564 HB THR 72 HB THR 72 -11.169 18.856 6.026 565 HG1 THR 72 HG1 THR 72 -10.972 21.195 6.569 566 HG21 THR 72 HG21 THR 72 -9.726 18.131 7.912 567 HG22 THR 72 HG22 THR 72 -8.344 18.940 7.169 568 HG23 THR 72 HG23 THR 72 -9.095 17.556 6.367 569 H TRP 73 H TRP 73 -11.025 18.352 3.355 570 HA TRP 73 HA TRP 73 -9.085 16.281 2.881 571 HB2 TRP 73 HB2 TRP 73 -11.905 16.823 1.980 572 HB3 TRP 73 HB3 TRP 73 -10.960 15.701 1.017 573 HD1 TRP 73 HD1 TRP 73 -12.903 15.889 4.269 574 HE1 TRP 73 HE1 TRP 73 -12.877 13.574 5.368 575 HE3 TRP 73 HE3 TRP 73 -9.333 13.630 1.367 576 HZ2 TRP 73 HZ2 TRP 73 -11.544 11.118 5.062 577 HZ3 TRP 73 HZ3 TRP 73 -8.747 11.277 1.849 578 HH2 TRP 73 HH2 TRP 73 -9.832 10.055 3.655 579 H ALA 74 H ALA 74 -10.263 19.052 1.032 580 HA ALA 74 HA ALA 74 -8.793 18.562 -1.362 581 HB1 ALA 74 HB1 ALA 74 -9.270 20.927 -1.898 582 HB2 ALA 74 HB2 ALA 74 -9.809 21.199 -0.235 583 HB3 ALA 74 HB3 ALA 74 -10.708 20.110 -1.290 584 H LYS 75 H LYS 75 -8.025 19.997 1.717 585 HA LYS 75 HA LYS 75 -5.588 21.363 0.947 586 HB2 LYS 75 HB2 LYS 75 -7.140 22.171 2.752 587 HB3 LYS 75 HB3 LYS 75 -6.752 20.744 3.701 588 HG2 LYS 75 HG2 LYS 75 -4.373 21.525 3.807 589 HG3 LYS 75 HG3 LYS 75 -4.851 22.995 2.954 590 HD2 LYS 75 HD2 LYS 75 -5.917 22.090 5.666 591 HD3 LYS 75 HD3 LYS 75 -4.702 23.344 5.410 592 HE2 LYS 75 HE2 LYS 75 -6.345 24.744 4.245 593 HE3 LYS 75 HE3 LYS 75 -7.562 23.473 4.380 594 HZ1 LYS 75 HZ1 LYS 75 -7.841 25.201 6.047 595 HZ2 LYS 75 HZ2 LYS 75 -6.303 24.875 6.672 596 HZ3 LYS 75 HZ3 LYS 75 -7.514 23.703 6.759 597 H TYR 76 H TYR 76 -6.585 18.390 2.526 598 HA TYR 76 HA TYR 76 -4.138 17.222 3.245 599 HB2 TYR 76 HB2 TYR 76 -6.154 16.183 4.033 600 HB3 TYR 76 HB3 TYR 76 -6.849 16.098 2.425 601 HD1 TYR 76 HD1 TYR 76 -4.078 14.656 4.500 602 HD2 TYR 76 HD2 TYR 76 -6.702 14.063 1.191 603 HE1 TYR 76 HE1 TYR 76 -3.319 12.338 4.301 604 HE2 TYR 76 HE2 TYR 76 -5.935 11.729 0.998 605 HH TYR 76 HH TYR 76 -4.134 10.183 3.418 606 H ARG 77 H ARG 77 -6.019 17.087 0.245 607 HA ARG 77 HA ARG 77 -4.288 15.390 -1.218 608 HB2 ARG 77 HB2 ARG 77 -6.702 15.702 -1.739 609 HB3 ARG 77 HB3 ARG 77 -6.381 17.357 -2.247 610 HG2 ARG 77 HG2 ARG 77 -5.027 16.570 -4.123 611 HG3 ARG 77 HG3 ARG 77 -5.172 14.902 -3.566 612 HD2 ARG 77 HD2 ARG 77 -6.671 15.289 -5.441 613 HD3 ARG 77 HD3 ARG 77 -7.611 14.981 -3.979 614 HE ARG 77 HE ARG 77 -7.482 17.691 -4.058 615 HH11 ARG 77 HH11 ARG 77 -8.532 15.301 -6.418 616 HH12 ARG 77 HH12 ARG 77 -9.672 16.370 -7.163 617 HH21 ARG 77 HH21 ARG 77 -9.006 19.061 -5.030 618 HH22 ARG 77 HH22 ARG 77 -9.937 18.501 -6.380 619 H GLN 78 H GLN 78 -4.704 18.978 -1.225 620 HA GLN 78 HA GLN 78 -2.736 19.590 -3.104 621 HB2 GLN 78 HB2 GLN 78 -3.838 21.252 -0.813 622 HB3 GLN 78 HB3 GLN 78 -2.720 21.895 -2.007 623 HG2 GLN 78 HG2 GLN 78 -5.547 20.922 -2.485 624 HG3 GLN 78 HG3 GLN 78 -4.938 22.572 -2.614 625 HE21 GLN 78 HE21 GLN 78 -5.212 19.483 -4.161 626 HE22 GLN 78 HE22 GLN 78 -4.601 19.957 -5.706 627 H ALA 79 H ALA 79 -2.437 19.260 0.424 628 HA ALA 79 HA ALA 79 0.237 20.188 0.650 629 HB1 ALA 79 HB1 ALA 79 0.210 19.163 2.886 630 HB2 ALA 79 HB2 ALA 79 -1.252 18.257 2.473 631 HB3 ALA 79 HB3 ALA 79 -1.301 20.019 2.579 632 H LEU 80 H LEU 80 -1.149 16.913 0.307 633 HA LEU 80 HA LEU 80 1.192 15.415 0.441 634 HB2 LEU 80 HB2 LEU 80 -1.364 14.819 0.529 635 HB3 LEU 80 HB3 LEU 80 -1.233 14.642 -1.207 636 HG LEU 80 HG LEU 80 0.407 13.033 0.797 637 HD11 LEU 80 HD11 LEU 80 -2.158 12.250 -0.615 638 HD12 LEU 80 HD12 LEU 80 -1.953 12.558 1.117 639 HD13 LEU 80 HD13 LEU 80 -1.145 11.185 0.367 640 HD21 LEU 80 HD21 LEU 80 0.825 11.487 -1.091 641 HD22 LEU 80 HD22 LEU 80 1.476 13.092 -1.403 642 HD23 LEU 80 HD23 LEU 80 -0.027 12.590 -2.182 643 H ARG 81 H ARG 81 -0.602 16.593 -2.450 644 HA ARG 81 HA ARG 81 1.115 15.435 -4.388 645 HB2 ARG 81 HB2 ARG 81 -0.042 16.803 -6.055 646 HB3 ARG 81 HB3 ARG 81 -1.209 16.144 -4.913 647 HG2 ARG 81 HG2 ARG 81 -1.439 18.268 -3.797 648 HG3 ARG 81 HG3 ARG 81 -0.114 18.972 -4.717 649 HD2 ARG 81 HD2 ARG 81 -2.711 18.010 -5.948 650 HD3 ARG 81 HD3 ARG 81 -2.411 19.676 -5.451 651 HE ARG 81 HE ARG 81 -1.226 18.259 -7.719 652 HH11 ARG 81 HH11 ARG 81 -1.293 21.238 -5.831 653 HH12 ARG 81 HH12 ARG 81 -0.549 22.172 -7.088 654 HH21 ARG 81 HH21 ARG 81 -0.250 19.498 -9.331 655 HH22 ARG 81 HH22 ARG 81 0.042 21.189 -9.071 656 H ASP 82 H ASP 82 1.258 18.480 -2.654 657 HA ASP 82 HA ASP 82 3.017 19.907 -4.363 658 HB2 ASP 82 HB2 ASP 82 1.580 20.991 -2.631 659 HB3 ASP 82 HB3 ASP 82 2.561 20.252 -1.363 660 H LEU 83 H LEU 83 3.575 17.989 -1.397 661 HA LEU 83 HA LEU 83 6.450 18.124 -1.579 662 HB2 LEU 83 HB2 LEU 83 4.566 16.533 0.195 663 HB3 LEU 83 HB3 LEU 83 6.288 16.215 0.201 664 HG LEU 83 HG LEU 83 5.864 17.605 2.080 665 HD11 LEU 83 HD11 LEU 83 7.203 19.583 1.694 666 HD12 LEU 83 HD12 LEU 83 6.985 19.433 -0.050 667 HD13 LEU 83 HD13 LEU 83 7.886 18.199 0.835 668 HD21 LEU 83 HD21 LEU 83 4.704 19.761 2.006 669 HD22 LEU 83 HD22 LEU 83 3.657 18.440 1.496 670 HD23 LEU 83 HD23 LEU 83 4.352 19.526 0.289 671 HA PRO 84 HA PRO 84 6.376 14.775 -4.714 672 HB2 PRO 84 HB2 PRO 84 8.885 15.080 -5.665 673 HB3 PRO 84 HB3 PRO 84 7.633 16.286 -6.003 674 HG2 PRO 84 HG2 PRO 84 9.803 16.358 -3.895 675 HG3 PRO 84 HG3 PRO 84 9.315 17.638 -5.029 676 HD2 PRO 84 HD2 PRO 84 8.435 17.527 -2.420 677 HD3 PRO 84 HD3 PRO 84 7.482 18.258 -3.730 678 H GLU 85 H GLU 85 8.227 12.981 -5.249 679 HA GLU 85 HA GLU 85 9.689 12.190 -2.811 680 HB2 GLU 85 HB2 GLU 85 9.123 9.864 -2.984 681 HB3 GLU 85 HB3 GLU 85 7.618 10.762 -2.979 682 HG2 GLU 85 HG2 GLU 85 8.875 9.754 -5.546 683 HG3 GLU 85 HG3 GLU 85 7.826 8.741 -4.560 684 H THR 86 H THR 86 11.399 10.629 -3.262 685 HA THR 86 HA THR 86 12.627 10.996 -5.919 686 HB THR 86 HB THR 86 13.957 12.267 -4.432 687 HG1 THR 86 HG1 THR 86 15.296 9.745 -4.496 688 HG21 THR 86 HG21 THR 86 13.957 9.967 -2.444 689 HG22 THR 86 HG22 THR 86 13.081 11.485 -2.267 690 HG23 THR 86 HG23 THR 86 14.842 11.491 -2.262 691 H VAL 87 H VAL 87 12.278 9.164 -6.984 692 HA VAL 87 HA VAL 87 12.134 6.582 -5.630 693 HB VAL 87 HB VAL 87 10.365 7.172 -7.228 694 HG11 VAL 87 HG11 VAL 87 10.718 7.311 -9.647 695 HG12 VAL 87 HG12 VAL 87 12.457 7.143 -9.421 696 HG13 VAL 87 HG13 VAL 87 11.626 8.569 -8.801 697 HG21 VAL 87 HG21 VAL 87 11.997 4.806 -8.213 698 HG22 VAL 87 HG22 VAL 87 10.295 5.091 -8.576 699 HG23 VAL 87 HG23 VAL 87 10.799 4.782 -6.915 700 H THR 88 H THR 88 14.438 6.954 -5.054 701 HA THR 88 HA THR 88 16.265 5.564 -6.911 702 HB THR 88 HB THR 88 18.150 7.071 -6.027 703 HG1 THR 88 HG1 THR 88 17.665 8.468 -4.556 704 HG21 THR 88 HG21 THR 88 17.240 7.463 -8.298 705 HG22 THR 88 HG22 THR 88 17.717 8.976 -7.525 706 HG23 THR 88 HG23 THR 88 16.009 8.535 -7.624 707 H ASP 89 H ASP 89 18.472 5.433 -5.139 708 HA ASP 89 HA ASP 89 17.697 3.271 -3.421 709 HB2 ASP 89 HB2 ASP 89 19.853 3.306 -4.683 710 HB3 ASP 89 HB3 ASP 89 20.397 4.676 -3.726 711 H LEU 90 H LEU 90 16.185 4.438 -2.065 712 HA LEU 90 HA LEU 90 17.053 4.855 0.532 713 HB2 LEU 90 HB2 LEU 90 16.983 7.172 0.988 714 HB3 LEU 90 HB3 LEU 90 17.935 7.058 -0.472 715 HG LEU 90 HG LEU 90 15.055 8.038 -0.255 716 HD11 LEU 90 HD11 LEU 90 15.946 10.196 -0.971 717 HD12 LEU 90 HD12 LEU 90 17.583 9.531 -0.991 718 HD13 LEU 90 HD13 LEU 90 16.694 9.648 0.530 719 HD21 LEU 90 HD21 LEU 90 15.147 8.552 -2.664 720 HD22 LEU 90 HD22 LEU 90 15.274 6.824 -2.357 721 HD23 LEU 90 HD23 LEU 90 16.718 7.746 -2.776 722 H SER 91 H SER 91 15.120 6.266 1.758 723 HA SER 91 HA SER 91 12.537 6.120 0.465 724 HB2 SER 91 HB2 SER 91 11.526 4.683 2.288 725 HB3 SER 91 HB3 SER 91 12.643 3.816 1.231 726 HG SER 91 HG SER 91 14.201 4.626 3.072 727 H GLN 92 H GLN 92 12.196 8.277 0.839 728 HA GLN 92 HA GLN 92 11.675 9.086 3.605 729 HB2 GLN 92 HB2 GLN 92 12.815 11.272 3.293 730 HB3 GLN 92 HB3 GLN 92 13.934 9.918 3.246 731 HG2 GLN 92 HG2 GLN 92 14.107 10.096 0.810 732 HG3 GLN 92 HG3 GLN 92 12.892 11.373 0.791 733 HE21 GLN 92 HE21 GLN 92 14.282 12.853 -0.180 734 HE22 GLN 92 HE22 GLN 92 15.603 13.581 0.667 735 H ILE 93 H ILE 93 9.516 9.207 3.366 736 HA ILE 93 HA ILE 93 8.461 11.423 1.758 737 HB ILE 93 HB ILE 93 6.309 9.911 1.393 738 HG12 ILE 93 HG12 ILE 93 7.161 7.478 0.743 739 HG13 ILE 93 HG13 ILE 93 8.428 7.788 1.915 740 HG21 ILE 93 HG21 ILE 93 7.601 10.895 -0.419 741 HG22 ILE 93 HG22 ILE 93 7.121 9.250 -0.837 742 HG23 ILE 93 HG23 ILE 93 8.782 9.581 -0.334 743 HD11 ILE 93 HD11 ILE 93 6.776 7.975 3.670 744 HD12 ILE 93 HD12 ILE 93 6.570 6.460 2.789 745 HD13 ILE 93 HD13 ILE 93 5.470 7.810 2.494 746 H VAL 94 H VAL 94 7.948 12.823 3.386 747 HA VAL 94 HA VAL 94 6.134 11.849 5.517 748 HB VAL 94 HB VAL 94 7.871 14.366 5.457 749 HG11 VAL 94 HG11 VAL 94 6.174 13.258 7.732 750 HG12 VAL 94 HG12 VAL 94 5.790 14.695 6.781 751 HG13 VAL 94 HG13 VAL 94 7.219 14.677 7.816 752 HG21 VAL 94 HG21 VAL 94 9.254 12.332 5.722 753 HG22 VAL 94 HG22 VAL 94 8.248 11.814 7.078 754 HG23 VAL 94 HG23 VAL 94 9.228 13.275 7.216 755 H TRP 95 H TRP 95 4.089 12.155 4.809 756 HA TRP 95 HA TRP 95 3.256 14.760 3.743 757 HB2 TRP 95 HB2 TRP 95 1.824 13.446 2.016 758 HB3 TRP 95 HB3 TRP 95 3.537 13.623 1.685 759 HD1 TRP 95 HD1 TRP 95 2.170 10.816 4.016 760 HE1 TRP 95 HE1 TRP 95 2.664 8.557 2.903 761 HE3 TRP 95 HE3 TRP 95 3.937 12.501 -0.488 762 HZ2 TRP 95 HZ2 TRP 95 3.662 7.614 0.445 763 HZ3 TRP 95 HZ3 TRP 95 4.620 10.844 -2.174 764 HH2 TRP 95 HH2 TRP 95 4.482 8.447 -1.706 765 HA PRO 96 HA PRO 96 -0.068 14.486 6.562 766 HB2 PRO 96 HB2 PRO 96 -2.399 15.060 5.174 767 HB3 PRO 96 HB3 PRO 96 -1.189 16.270 5.617 768 HG2 PRO 96 HG2 PRO 96 -1.527 14.802 3.001 769 HG3 PRO 96 HG3 PRO 96 -1.264 16.540 3.275 770 HD2 PRO 96 HD2 PRO 96 0.770 14.953 2.565 771 HD3 PRO 96 HD3 PRO 96 1.024 16.242 3.761 772 H GLN 97 H GLN 97 -1.208 12.993 7.567 773 HA GLN 97 HA GLN 97 -2.373 10.647 6.227 774 HB2 GLN 97 HB2 GLN 97 -1.056 10.381 8.355 775 HB3 GLN 97 HB3 GLN 97 -2.240 11.369 9.202 776 HG2 GLN 97 HG2 GLN 97 -2.603 9.004 9.668 777 HG3 GLN 97 HG3 GLN 97 -3.972 9.665 8.772 778 HE21 GLN 97 HE21 GLN 97 -4.604 7.601 8.060 779 HE22 GLN 97 HE22 GLN 97 -3.727 6.743 6.842 780 H LEU 98 H LEU 98 -4.672 10.270 6.201 781 HA LEU 98 HA LEU 98 -6.107 12.658 5.701 782 HB2 LEU 98 HB2 LEU 98 -8.101 10.917 5.408 783 HB3 LEU 98 HB3 LEU 98 -6.808 11.046 4.239 784 HG LEU 98 HG LEU 98 -5.737 9.022 5.165 785 HD11 LEU 98 HD11 LEU 98 -6.889 7.573 6.772 786 HD12 LEU 98 HD12 LEU 98 -8.118 8.821 7.018 787 HD13 LEU 98 HD13 LEU 98 -6.441 9.123 7.489 788 HD21 LEU 98 HD21 LEU 98 -8.651 8.585 4.445 789 HD22 LEU 98 HD22 LEU 98 -7.357 7.389 4.325 790 HD23 LEU 98 HD23 LEU 98 -7.324 8.820 3.300 791 HA PRO 99 HA PRO 99 -7.933 13.766 9.560 792 HB2 PRO 99 HB2 PRO 99 -10.335 14.884 8.781 793 HB3 PRO 99 HB3 PRO 99 -8.769 15.675 8.554 794 HG2 PRO 99 HG2 PRO 99 -10.381 14.066 6.561 795 HG3 PRO 99 HG3 PRO 99 -9.562 15.629 6.333 796 HD2 PRO 99 HD2 PRO 99 -8.431 13.329 5.481 797 HD3 PRO 99 HD3 PRO 99 -7.439 14.640 6.161 798 H VAL 100 H VAL 100 -10.182 11.994 7.426 799 HA VAL 100 HA VAL 100 -11.804 11.013 9.642 800 HB VAL 100 HB VAL 100 -11.995 10.466 6.640 801 HG11 VAL 100 HG11 VAL 100 -14.270 9.548 7.125 802 HG12 VAL 100 HG12 VAL 100 -13.961 9.719 8.857 803 HG13 VAL 100 HG13 VAL 100 -12.992 8.600 7.892 804 HG21 VAL 100 HG21 VAL 100 -13.644 12.349 8.403 805 HG22 VAL 100 HG22 VAL 100 -13.944 12.028 6.692 806 HG23 VAL 100 HG23 VAL 100 -12.455 12.831 7.186 Start of MODEL 5 1 H MET 1 H MET 1 5.388 -3.491 6.286 2 HA MET 1 HA MET 1 5.825 -4.219 4.024 3 HB2 MET 1 HB2 MET 1 7.139 -2.360 4.975 4 HB3 MET 1 HB3 MET 1 8.284 -3.492 5.680 5 HG2 MET 1 HG2 MET 1 7.856 -3.280 2.693 6 HG3 MET 1 HG3 MET 1 9.022 -2.283 3.563 7 HE1 MET 1 HE1 MET 1 10.801 -3.286 1.758 8 HE2 MET 1 HE2 MET 1 9.576 -4.368 1.087 9 HE3 MET 1 HE3 MET 1 11.137 -5.012 1.597 10 H LEU 2 H LEU 2 5.753 -6.217 3.193 11 HA LEU 2 HA LEU 2 8.021 -8.091 3.661 12 HB2 LEU 2 HB2 LEU 2 6.468 -9.886 2.794 13 HB3 LEU 2 HB3 LEU 2 6.007 -9.173 4.322 14 HG LEU 2 HG LEU 2 4.363 -7.705 2.904 15 HD11 LEU 2 HD11 LEU 2 4.759 -9.962 0.922 16 HD12 LEU 2 HD12 LEU 2 5.157 -8.260 0.671 17 HD13 LEU 2 HD13 LEU 2 3.478 -8.745 0.879 18 HD21 LEU 2 HD21 LEU 2 2.599 -9.395 3.104 19 HD22 LEU 2 HD22 LEU 2 3.639 -9.376 4.524 20 HD23 LEU 2 HD23 LEU 2 3.817 -10.657 3.323 21 H LEU 3 H LEU 3 8.958 -9.126 1.758 22 HA LEU 3 HA LEU 3 9.373 -7.387 -0.413 23 HB2 LEU 3 HB2 LEU 3 10.016 -10.357 -0.261 24 HB3 LEU 3 HB3 LEU 3 10.824 -9.154 -1.260 25 HG LEU 3 HG LEU 3 10.946 -9.318 1.785 26 HD11 LEU 3 HD11 LEU 3 12.210 -11.120 0.747 27 HD12 LEU 3 HD12 LEU 3 13.288 -9.952 1.506 28 HD13 LEU 3 HD13 LEU 3 13.096 -9.960 -0.250 29 HD21 LEU 3 HD21 LEU 3 12.365 -7.383 -0.078 30 HD22 LEU 3 HD22 LEU 3 12.627 -7.520 1.660 31 HD23 LEU 3 HD23 LEU 3 11.065 -6.988 1.050 32 H HIS 4 H HIS 4 7.420 -6.969 -1.592 33 HA HIS 4 HA HIS 4 5.585 -8.434 -2.809 34 HB2 HIS 4 HB2 HIS 4 6.128 -5.970 -3.162 35 HB3 HIS 4 HB3 HIS 4 7.319 -6.462 -4.357 36 HD1 HIS 4 HD1 HIS 4 3.668 -5.987 -3.840 37 HD2 HIS 4 HD2 HIS 4 6.185 -7.398 -6.834 38 HE1 HIS 4 HE1 HIS 4 2.252 -6.097 -5.911 39 HE2 HIS 4 HE2 HIS 4 3.807 -6.881 -7.727 40 H SER 5 H SER 5 9.007 -8.626 -3.720 41 HA SER 5 HA SER 5 8.717 -11.177 -4.944 42 HB2 SER 5 HB2 SER 5 7.884 -9.755 -6.841 43 HB3 SER 5 HB3 SER 5 9.419 -8.885 -6.844 44 HG SER 5 HG SER 5 10.459 -10.792 -7.397 45 H VAL 6 H VAL 6 10.554 -12.190 -4.416 46 HA VAL 6 HA VAL 6 13.158 -10.790 -4.558 47 HB VAL 6 HB VAL 6 12.625 -11.007 -2.192 48 HG11 VAL 6 HG11 VAL 6 12.288 -13.169 -1.036 49 HG12 VAL 6 HG12 VAL 6 12.265 -13.989 -2.601 50 HG13 VAL 6 HG13 VAL 6 11.005 -12.823 -2.200 51 HG21 VAL 6 HG21 VAL 6 14.991 -11.270 -2.830 52 HG22 VAL 6 HG22 VAL 6 14.778 -13.019 -2.959 53 HG23 VAL 6 HG23 VAL 6 14.624 -12.223 -1.391 54 H GLU 7 H GLU 7 14.388 -11.690 -6.042 55 HA GLU 7 HA GLU 7 13.766 -14.277 -7.190 56 HB2 GLU 7 HB2 GLU 7 14.624 -12.042 -8.374 57 HB3 GLU 7 HB3 GLU 7 16.216 -12.656 -7.960 58 HG2 GLU 7 HG2 GLU 7 14.146 -14.052 -9.685 59 HG3 GLU 7 HG3 GLU 7 15.563 -13.204 -10.277 60 H THR 8 H THR 8 14.206 -15.785 -5.638 61 HA THR 8 HA THR 8 16.722 -15.814 -4.133 62 HB THR 8 HB THR 8 15.714 -17.525 -2.764 63 HG1 THR 8 HG1 THR 8 13.502 -17.760 -4.516 64 HG21 THR 8 HG21 THR 8 13.417 -15.694 -3.526 65 HG22 THR 8 HG22 THR 8 14.731 -15.243 -2.443 66 HG23 THR 8 HG23 THR 8 13.625 -16.545 -1.995 67 HA PRO 9 HA PRO 9 18.999 -18.897 -6.497 68 HB2 PRO 9 HB2 PRO 9 18.950 -20.795 -4.143 69 HB3 PRO 9 HB3 PRO 9 20.319 -20.244 -5.123 70 HG2 PRO 9 HG2 PRO 9 19.942 -19.187 -2.719 71 HG3 PRO 9 HG3 PRO 9 20.392 -18.138 -4.081 72 HD2 PRO 9 HD2 PRO 9 17.678 -18.534 -2.814 73 HD3 PRO 9 HD3 PRO 9 18.459 -17.033 -3.362 74 H ARG 10 H ARG 10 16.171 -20.229 -4.800 75 HA ARG 10 HA ARG 10 15.934 -22.561 -6.545 76 HB2 ARG 10 HB2 ARG 10 13.876 -23.053 -5.273 77 HB3 ARG 10 HB3 ARG 10 15.251 -22.758 -4.212 78 HG2 ARG 10 HG2 ARG 10 14.413 -20.456 -3.796 79 HG3 ARG 10 HG3 ARG 10 13.016 -20.793 -4.821 80 HD2 ARG 10 HD2 ARG 10 12.516 -21.002 -2.390 81 HD3 ARG 10 HD3 ARG 10 12.240 -22.504 -3.279 82 HE ARG 10 HE ARG 10 14.865 -22.271 -2.066 83 HH11 ARG 10 HH11 ARG 10 11.571 -23.362 -1.514 84 HH12 ARG 10 HH12 ARG 10 12.036 -24.548 -0.340 85 HH21 ARG 10 HH21 ARG 10 15.460 -23.821 -0.517 86 HH22 ARG 10 HH22 ARG 10 14.238 -24.806 0.229 87 H GLY 11 H GLY 11 14.966 -19.321 -6.694 88 HA2 GLY 11 HA2 GLY 11 14.077 -18.914 -9.115 89 HA3 GLY 11 HA3 GLY 11 12.663 -19.764 -8.492 90 H GLU 12 H GLU 12 11.867 -17.502 -9.248 91 HA GLU 12 HA GLU 12 12.349 -15.340 -7.317 92 HB2 GLU 12 HB2 GLU 12 12.258 -14.883 -9.771 93 HB3 GLU 12 HB3 GLU 12 10.566 -15.384 -9.793 94 HG2 GLU 12 HG2 GLU 12 9.943 -13.523 -8.365 95 HG3 GLU 12 HG3 GLU 12 11.638 -13.086 -8.129 96 H ILE 13 H ILE 13 10.800 -14.633 -5.836 97 HA ILE 13 HA ILE 13 8.517 -16.457 -5.336 98 HB ILE 13 HB ILE 13 10.383 -15.394 -3.143 99 HG12 ILE 13 HG12 ILE 13 11.645 -17.021 -4.520 100 HG13 ILE 13 HG13 ILE 13 11.322 -17.668 -2.918 101 HG21 ILE 13 HG21 ILE 13 9.207 -17.035 -1.685 102 HG22 ILE 13 HG22 ILE 13 8.150 -17.462 -3.031 103 HG23 ILE 13 HG23 ILE 13 8.104 -15.832 -2.358 104 HD11 ILE 13 HD11 ILE 13 9.521 -19.040 -3.860 105 HD12 ILE 13 HD12 ILE 13 11.087 -19.360 -4.601 106 HD13 ILE 13 HD13 ILE 13 9.890 -18.398 -5.465 107 H LEU 14 H LEU 14 6.702 -15.310 -5.245 108 HA LEU 14 HA LEU 14 6.737 -12.401 -4.971 109 HB2 LEU 14 HB2 LEU 14 4.471 -14.331 -5.643 110 HB3 LEU 14 HB3 LEU 14 4.346 -12.575 -5.678 111 HG LEU 14 HG LEU 14 6.198 -14.199 -7.485 112 HD11 LEU 14 HD11 LEU 14 4.610 -13.692 -9.289 113 HD12 LEU 14 HD12 LEU 14 3.521 -12.919 -8.130 114 HD13 LEU 14 HD13 LEU 14 3.860 -14.651 -8.019 115 HD21 LEU 14 HD21 LEU 14 5.496 -11.240 -7.510 116 HD22 LEU 14 HD22 LEU 14 6.474 -12.064 -8.726 117 HD23 LEU 14 HD23 LEU 14 7.058 -11.946 -7.069 118 H ASN 15 H ASN 15 5.667 -11.252 -3.427 119 HA ASN 15 HA ASN 15 5.267 -10.699 -1.284 120 HB2 ASN 15 HB2 ASN 15 2.908 -11.215 -0.589 121 HB3 ASN 15 HB3 ASN 15 3.078 -10.554 -2.204 122 HD21 ASN 15 HD21 ASN 15 2.696 -11.912 -3.988 123 HD22 ASN 15 HD22 ASN 15 1.800 -13.378 -3.847 124 H VAL 16 H VAL 16 7.026 -11.699 -0.307 125 HA VAL 16 HA VAL 16 6.208 -13.571 1.806 126 HB VAL 16 HB VAL 16 7.340 -14.986 0.129 127 HG11 VAL 16 HG11 VAL 16 9.755 -13.174 0.435 128 HG12 VAL 16 HG12 VAL 16 8.754 -13.344 -1.009 129 HG13 VAL 16 HG13 VAL 16 9.728 -14.706 -0.446 130 HG21 VAL 16 HG21 VAL 16 9.089 -14.583 2.588 131 HG22 VAL 16 HG22 VAL 16 9.075 -16.016 1.561 132 HG23 VAL 16 HG23 VAL 16 7.643 -15.592 2.502 133 H SER 17 H SER 17 7.132 -13.109 3.770 134 HA SER 17 HA SER 17 8.258 -10.568 4.277 135 HB2 SER 17 HB2 SER 17 8.496 -11.470 6.618 136 HB3 SER 17 HB3 SER 17 6.886 -11.700 5.937 137 HG SER 17 HG SER 17 7.312 -13.844 5.633 138 H GLU 18 H GLU 18 10.376 -10.070 5.139 139 HA GLU 18 HA GLU 18 12.474 -10.866 3.497 140 HB2 GLU 18 HB2 GLU 18 12.517 -9.522 6.220 141 HB3 GLU 18 HB3 GLU 18 13.921 -9.631 5.156 142 HG2 GLU 18 HG2 GLU 18 12.843 -8.280 3.476 143 HG3 GLU 18 HG3 GLU 18 11.322 -8.299 4.361 144 H GLN 19 H GLN 19 11.807 -11.850 6.848 145 HA GLN 19 HA GLN 19 14.239 -13.281 7.243 146 HB2 GLN 19 HB2 GLN 19 11.633 -13.492 8.798 147 HB3 GLN 19 HB3 GLN 19 13.207 -14.063 9.342 148 HG2 GLN 19 HG2 GLN 19 12.365 -11.180 8.915 149 HG3 GLN 19 HG3 GLN 19 12.674 -11.980 10.452 150 HE21 GLN 19 HE21 GLN 19 13.901 -9.552 9.279 151 HE22 GLN 19 HE22 GLN 19 15.600 -9.867 9.222 152 H GLU 20 H GLU 20 10.938 -14.276 6.367 153 HA GLU 20 HA GLU 20 11.402 -17.092 6.363 154 HB2 GLU 20 HB2 GLU 20 9.135 -16.077 6.485 155 HB3 GLU 20 HB3 GLU 20 9.318 -15.464 4.844 156 HG2 GLU 20 HG2 GLU 20 9.365 -17.723 3.945 157 HG3 GLU 20 HG3 GLU 20 9.373 -18.402 5.563 158 H ALA 21 H ALA 21 11.322 -14.668 3.730 159 HA ALA 21 HA ALA 21 12.169 -16.060 1.562 160 HB1 ALA 21 HB1 ALA 21 11.641 -13.651 1.534 161 HB2 ALA 21 HB2 ALA 21 13.180 -13.976 0.725 162 HB3 ALA 21 HB3 ALA 21 13.164 -13.302 2.360 163 H ARG 22 H ARG 22 14.271 -14.861 4.200 164 HA ARG 22 HA ARG 22 16.742 -15.724 3.075 165 HB2 ARG 22 HB2 ARG 22 15.992 -15.137 5.965 166 HB3 ARG 22 HB3 ARG 22 17.635 -15.491 5.430 167 HG2 ARG 22 HG2 ARG 22 17.457 -13.491 3.897 168 HG3 ARG 22 HG3 ARG 22 15.936 -13.099 4.703 169 HD2 ARG 22 HD2 ARG 22 17.855 -11.825 5.616 170 HD3 ARG 22 HD3 ARG 22 17.103 -12.855 6.844 171 HE ARG 22 HE ARG 22 19.219 -14.256 5.590 172 HH11 ARG 22 HH11 ARG 22 18.867 -11.549 7.810 173 HH12 ARG 22 HH12 ARG 22 20.350 -11.899 8.638 174 HH21 ARG 22 HH21 ARG 22 21.129 -14.694 6.680 175 HH22 ARG 22 HH22 ARG 22 21.626 -13.691 8.007 176 H ASP 23 H ASP 23 14.503 -17.239 5.392 177 HA ASP 23 HA ASP 23 16.399 -19.327 6.124 178 HB2 ASP 23 HB2 ASP 23 13.476 -18.970 6.935 179 HB3 ASP 23 HB3 ASP 23 14.579 -20.162 7.621 180 H VAL 24 H VAL 24 13.091 -19.352 4.792 181 HA VAL 24 HA VAL 24 13.162 -22.134 4.112 182 HB VAL 24 HB VAL 24 11.127 -19.960 3.409 183 HG11 VAL 24 HG11 VAL 24 9.522 -21.813 3.015 184 HG12 VAL 24 HG12 VAL 24 10.816 -22.985 3.263 185 HG13 VAL 24 HG13 VAL 24 10.881 -21.875 1.891 186 HG21 VAL 24 HG21 VAL 24 11.402 -20.216 5.852 187 HG22 VAL 24 HG22 VAL 24 11.078 -21.947 5.716 188 HG23 VAL 24 HG23 VAL 24 9.813 -20.780 5.327 189 H PHE 25 H PHE 25 13.183 -19.086 2.232 190 HA PHE 25 HA PHE 25 13.306 -20.605 -0.283 191 HB2 PHE 25 HB2 PHE 25 12.874 -17.629 0.212 192 HB3 PHE 25 HB3 PHE 25 12.786 -18.425 -1.359 193 HD1 PHE 25 HD2 PHE 25 11.006 -20.205 -1.749 194 HD2 PHE 25 HD1 PHE 25 10.950 -17.653 1.685 195 HE1 PHE 25 HE2 PHE 25 8.652 -20.790 -1.347 196 HE2 PHE 25 HE1 PHE 25 8.601 -18.253 2.078 197 HZ PHE 25 HZ PHE 25 7.448 -19.822 0.570 198 H GLY 26 H GLY 26 15.515 -19.060 1.836 199 HA2 GLY 26 HA2 GLY 26 17.808 -19.330 1.752 200 HA3 GLY 26 HA3 GLY 26 17.658 -19.989 0.134 201 H ALA 27 H ALA 27 16.211 -16.907 0.570 202 HA ALA 27 HA ALA 27 17.986 -15.547 -1.184 203 HB1 ALA 27 HB1 ALA 27 15.610 -14.948 -0.980 204 HB2 ALA 27 HB2 ALA 27 16.643 -13.553 -0.691 205 HB3 ALA 27 HB3 ALA 27 15.878 -14.391 0.665 206 H SER 28 H SER 28 19.749 -14.344 -0.757 207 HA SER 28 HA SER 28 20.893 -14.320 1.910 208 HB2 SER 28 HB2 SER 28 21.982 -13.223 -0.712 209 HB3 SER 28 HB3 SER 28 22.903 -13.497 0.770 210 HG SER 28 HG SER 28 21.598 -15.744 0.066 211 H GLU 29 H GLU 29 22.112 -12.206 2.447 212 HA GLU 29 HA GLU 29 20.030 -10.420 3.310 213 HB2 GLU 29 HB2 GLU 29 23.057 -10.165 3.549 214 HB3 GLU 29 HB3 GLU 29 21.883 -9.177 4.423 215 HG2 GLU 29 HG2 GLU 29 21.036 -11.132 5.606 216 HG3 GLU 29 HG3 GLU 29 22.073 -12.195 4.652 217 H GLN 30 H GLN 30 22.396 -10.289 0.734 218 HA GLN 30 HA GLN 30 21.986 -7.501 0.024 219 HB2 GLN 30 HB2 GLN 30 23.376 -9.786 -1.444 220 HB3 GLN 30 HB3 GLN 30 23.403 -8.102 -1.963 221 HG2 GLN 30 HG2 GLN 30 24.602 -7.467 0.089 222 HG3 GLN 30 HG3 GLN 30 24.528 -9.134 0.663 223 HE21 GLN 30 HE21 GLN 30 26.777 -9.297 0.796 224 HE22 GLN 30 HE22 GLN 30 27.790 -9.396 -0.604 225 H ALA 31 H ALA 31 20.649 -10.614 -0.798 226 HA ALA 31 HA ALA 31 19.167 -9.805 -3.150 227 HB1 ALA 31 HB1 ALA 31 19.908 -12.147 -2.875 228 HB2 ALA 31 HB2 ALA 31 18.150 -12.052 -3.013 229 HB3 ALA 31 HB3 ALA 31 18.901 -12.310 -1.435 230 H ILE 32 H ILE 32 18.708 -9.548 0.287 231 HA ILE 32 HA ILE 32 15.789 -9.623 0.245 232 HB ILE 32 HB ILE 32 17.783 -9.068 2.491 233 HG12 ILE 32 HG12 ILE 32 17.738 -11.435 1.813 234 HG13 ILE 32 HG13 ILE 32 17.068 -11.235 3.420 235 HG21 ILE 32 HG21 ILE 32 15.739 -7.801 2.942 236 HG22 ILE 32 HG22 ILE 32 15.858 -9.155 4.063 237 HG23 ILE 32 HG23 ILE 32 14.750 -9.242 2.692 238 HD11 ILE 32 HD11 ILE 32 14.827 -11.450 2.519 239 HD12 ILE 32 HD12 ILE 32 15.834 -12.842 2.138 240 HD13 ILE 32 HD13 ILE 32 15.489 -11.643 0.895 241 H ALA 33 H ALA 33 18.361 -7.370 1.325 242 HA ALA 33 HA ALA 33 17.186 -4.959 1.214 243 HB1 ALA 33 HB1 ALA 33 19.972 -5.585 0.227 244 HB2 ALA 33 HB2 ALA 33 19.501 -5.376 1.917 245 HB3 ALA 33 HB3 ALA 33 19.406 -4.012 0.796 246 H ASP 34 H ASP 34 18.516 -6.612 -1.702 247 HA ASP 34 HA ASP 34 17.891 -4.763 -3.669 248 HB2 ASP 34 HB2 ASP 34 19.114 -6.904 -4.060 249 HB3 ASP 34 HB3 ASP 34 17.604 -7.788 -3.845 250 H ALA 35 H ALA 35 15.828 -7.420 -2.517 251 HA ALA 35 HA ALA 35 13.478 -6.703 -3.961 252 HB1 ALA 35 HB1 ALA 35 13.754 -8.436 -1.491 253 HB2 ALA 35 HB2 ALA 35 13.920 -8.990 -3.161 254 HB3 ALA 35 HB3 ALA 35 12.361 -8.394 -2.573 255 H ARG 36 H ARG 36 14.740 -5.706 -0.873 256 HA ARG 36 HA ARG 36 12.412 -4.501 0.236 257 HB2 ARG 36 HB2 ARG 36 14.196 -4.937 1.784 258 HB3 ARG 36 HB3 ARG 36 15.367 -4.081 0.789 259 HG2 ARG 36 HG2 ARG 36 14.302 -1.925 1.323 260 HG3 ARG 36 HG3 ARG 36 13.063 -2.751 2.269 261 HD2 ARG 36 HD2 ARG 36 16.010 -2.977 2.954 262 HD3 ARG 36 HD3 ARG 36 15.013 -1.649 3.545 263 HE ARG 36 HE ARG 36 14.592 -4.519 4.184 264 HH11 ARG 36 HH11 ARG 36 14.158 -1.120 5.012 265 HH12 ARG 36 HH12 ARG 36 13.505 -1.455 6.582 266 HH21 ARG 36 HH21 ARG 36 13.704 -4.944 6.248 267 HH22 ARG 36 HH22 ARG 36 13.224 -3.627 7.273 268 H LYS 37 H LYS 37 15.184 -3.238 -1.524 269 HA LYS 37 HA LYS 37 14.473 -0.587 -1.906 270 HB2 LYS 37 HB2 LYS 37 16.700 -1.304 -2.437 271 HB3 LYS 37 HB3 LYS 37 16.119 -2.566 -3.509 272 HG2 LYS 37 HG2 LYS 37 15.289 -0.626 -5.043 273 HG3 LYS 37 HG3 LYS 37 16.306 0.412 -4.044 274 HD2 LYS 37 HD2 LYS 37 17.502 -0.319 -6.076 275 HD3 LYS 37 HD3 LYS 37 18.289 -0.951 -4.623 276 HE2 LYS 37 HE2 LYS 37 17.162 -3.136 -4.976 277 HE3 LYS 37 HE3 LYS 37 16.386 -2.505 -6.427 278 HZ1 LYS 37 HZ1 LYS 37 18.328 -3.856 -6.892 279 HZ2 LYS 37 HZ2 LYS 37 19.310 -2.776 -6.038 280 HZ3 LYS 37 HZ3 LYS 37 18.524 -2.277 -7.447 281 H ALA 38 H ALA 38 13.356 -3.507 -3.520 282 HA ALA 38 HA ALA 38 12.341 -2.195 -5.888 283 HB1 ALA 38 HB1 ALA 38 13.366 -4.451 -5.988 284 HB2 ALA 38 HB2 ALA 38 11.687 -4.483 -6.539 285 HB3 ALA 38 HB3 ALA 38 12.102 -5.077 -4.925 286 H THR 39 H THR 39 10.999 -3.893 -3.018 287 HA THR 39 HA THR 39 8.246 -3.552 -3.586 288 HB THR 39 HB THR 39 9.566 -3.866 -0.844 289 HG1 THR 39 HG1 THR 39 9.847 -5.563 -2.537 290 HG21 THR 39 HG21 THR 39 7.223 -3.051 -0.658 291 HG22 THR 39 HG22 THR 39 7.374 -4.715 -0.088 292 HG23 THR 39 HG23 THR 39 6.680 -4.390 -1.679 293 H ILE 40 H ILE 40 10.365 -1.800 -1.288 294 HA ILE 40 HA ILE 40 8.695 0.254 -0.474 295 HB ILE 40 HB ILE 40 11.733 0.190 -0.776 296 HG12 ILE 40 HG12 ILE 40 10.758 -1.320 0.939 297 HG13 ILE 40 HG13 ILE 40 11.733 -0.061 1.682 298 HG21 ILE 40 HG21 ILE 40 11.131 2.557 -0.950 299 HG22 ILE 40 HG22 ILE 40 11.882 2.243 0.615 300 HG23 ILE 40 HG23 ILE 40 10.134 2.441 0.504 301 HD11 ILE 40 HD11 ILE 40 9.733 -0.479 2.962 302 HD12 ILE 40 HD12 ILE 40 8.719 -0.138 1.565 303 HD13 ILE 40 HD13 ILE 40 9.680 1.151 2.295 304 H LEU 41 H LEU 41 10.883 0.198 -3.271 305 HA LEU 41 HA LEU 41 10.696 2.679 -4.410 306 HB2 LEU 41 HB2 LEU 41 12.064 0.930 -5.348 307 HB3 LEU 41 HB3 LEU 41 10.674 -0.075 -5.667 308 HG LEU 41 HG LEU 41 10.080 2.035 -7.302 309 HD11 LEU 41 HD11 LEU 41 12.094 3.294 -6.737 310 HD12 LEU 41 HD12 LEU 41 12.093 2.833 -8.435 311 HD13 LEU 41 HD13 LEU 41 13.107 1.955 -7.287 312 HD21 LEU 41 HD21 LEU 41 10.073 -0.291 -7.976 313 HD22 LEU 41 HD22 LEU 41 11.840 -0.343 -7.990 314 HD23 LEU 41 HD23 LEU 41 10.970 0.658 -9.165 315 H GLN 42 H GLN 42 8.411 -0.042 -5.036 316 HA GLN 42 HA GLN 42 6.733 1.595 -6.753 317 HB2 GLN 42 HB2 GLN 42 7.170 -0.785 -7.310 318 HB3 GLN 42 HB3 GLN 42 6.488 -1.289 -5.772 319 HG2 GLN 42 HG2 GLN 42 4.913 -1.716 -7.572 320 HG3 GLN 42 HG3 GLN 42 4.274 -0.490 -6.482 321 HE21 GLN 42 HE21 GLN 42 5.522 -1.114 -9.680 322 HE22 GLN 42 HE22 GLN 42 5.044 0.391 -10.386 323 H THR 43 H THR 43 6.800 0.444 -3.463 324 HA THR 43 HA THR 43 4.012 0.669 -2.846 325 HB THR 43 HB THR 43 6.413 0.413 -0.980 326 HG1 THR 43 HG1 THR 43 5.749 -1.329 -2.549 327 HG21 THR 43 HG21 THR 43 4.807 -0.318 0.770 328 HG22 THR 43 HG22 THR 43 3.455 0.051 -0.304 329 HG23 THR 43 HG23 THR 43 4.492 1.351 0.289 330 H LEU 44 H LEU 44 6.755 2.948 -2.596 331 HA LEU 44 HA LEU 44 5.453 4.876 -0.937 332 HB2 LEU 44 HB2 LEU 44 7.562 5.412 -3.065 333 HB3 LEU 44 HB3 LEU 44 7.102 6.505 -1.769 334 HG LEU 44 HG LEU 44 8.709 3.950 -1.593 335 HD11 LEU 44 HD11 LEU 44 10.384 5.337 -0.515 336 HD12 LEU 44 HD12 LEU 44 9.326 6.745 -0.636 337 HD13 LEU 44 HD13 LEU 44 9.947 5.980 -2.100 338 HD21 LEU 44 HD21 LEU 44 7.431 5.372 0.758 339 HD22 LEU 44 HD22 LEU 44 8.649 4.096 0.870 340 HD23 LEU 44 HD23 LEU 44 7.066 3.744 0.180 341 H ARG 45 H ARG 45 5.585 4.307 -4.396 342 HA ARG 45 HA ARG 45 4.075 6.535 -5.304 343 HB2 ARG 45 HB2 ARG 45 5.648 4.993 -6.648 344 HB3 ARG 45 HB3 ARG 45 4.345 3.818 -6.688 345 HG2 ARG 45 HG2 ARG 45 4.094 6.626 -7.817 346 HG3 ARG 45 HG3 ARG 45 4.657 5.256 -8.769 347 HD2 ARG 45 HD2 ARG 45 1.924 5.549 -7.469 348 HD3 ARG 45 HD3 ARG 45 2.285 5.692 -9.194 349 HE ARG 45 HE ARG 45 3.208 3.222 -8.607 350 HH11 ARG 45 HH11 ARG 45 0.094 4.717 -7.954 351 HH12 ARG 45 HH12 ARG 45 -0.779 3.221 -8.085 352 HH21 ARG 45 HH21 ARG 45 2.068 1.295 -8.762 353 HH22 ARG 45 HH22 ARG 45 0.347 1.283 -8.546 354 H ILE 46 H ILE 46 3.200 3.138 -4.583 355 HA ILE 46 HA ILE 46 0.469 3.270 -5.263 356 HB ILE 46 HB ILE 46 1.864 1.413 -3.276 357 HG12 ILE 46 HG12 ILE 46 1.037 0.929 -6.174 358 HG13 ILE 46 HG13 ILE 46 2.675 1.266 -5.635 359 HG21 ILE 46 HG21 ILE 46 -0.541 1.447 -2.768 360 HG22 ILE 46 HG22 ILE 46 -0.109 -0.092 -3.505 361 HG23 ILE 46 HG23 ILE 46 -0.937 1.140 -4.461 362 HD11 ILE 46 HD11 ILE 46 2.334 -1.098 -6.089 363 HD12 ILE 46 HD12 ILE 46 1.053 -1.164 -4.880 364 HD13 ILE 46 HD13 ILE 46 2.715 -0.830 -4.389 365 H GLU 47 H GLU 47 1.955 3.414 -2.009 366 HA GLU 47 HA GLU 47 -0.249 3.842 -0.411 367 HB2 GLU 47 HB2 GLU 47 2.669 4.375 -0.151 368 HB3 GLU 47 HB3 GLU 47 1.668 5.317 0.941 369 HG2 GLU 47 HG2 GLU 47 1.747 2.303 0.740 370 HG3 GLU 47 HG3 GLU 47 2.458 3.294 2.011 371 H ARG 48 H ARG 48 1.807 6.326 -1.885 372 HA ARG 48 HA ARG 48 0.540 8.656 -1.098 373 HB2 ARG 48 HB2 ARG 48 2.587 8.926 -2.222 374 HB3 ARG 48 HB3 ARG 48 2.140 7.836 -3.526 375 HG2 ARG 48 HG2 ARG 48 0.760 9.512 -4.571 376 HG3 ARG 48 HG3 ARG 48 0.911 10.588 -3.181 377 HD2 ARG 48 HD2 ARG 48 2.338 11.250 -5.125 378 HD3 ARG 48 HD3 ARG 48 3.249 10.966 -3.644 379 HE ARG 48 HE ARG 48 4.122 8.978 -4.555 380 HH11 ARG 48 HH11 ARG 48 2.018 10.549 -6.893 381 HH12 ARG 48 HH12 ARG 48 2.806 9.832 -8.263 382 HH21 ARG 48 HH21 ARG 48 5.150 8.067 -6.343 383 HH22 ARG 48 HH22 ARG 48 4.604 8.446 -7.947 384 H ASP 49 H ASP 49 -0.128 6.709 -4.008 385 HA ASP 49 HA ASP 49 -2.341 8.282 -4.904 386 HB2 ASP 49 HB2 ASP 49 -1.228 5.570 -5.697 387 HB3 ASP 49 HB3 ASP 49 -2.691 6.213 -6.443 388 H GLU 50 H GLU 50 -2.095 5.582 -2.661 389 HA GLU 50 HA GLU 50 -4.863 4.789 -2.749 390 HB2 GLU 50 HB2 GLU 50 -2.730 4.279 -0.627 391 HB3 GLU 50 HB3 GLU 50 -4.358 3.609 -0.559 392 HG2 GLU 50 HG2 GLU 50 -2.269 3.043 -2.679 393 HG3 GLU 50 HG3 GLU 50 -2.777 1.953 -1.395 394 H ARG 51 H ARG 51 -2.961 7.063 -0.883 395 HA ARG 51 HA ARG 51 -5.084 7.786 0.945 396 HB2 ARG 51 HB2 ARG 51 -2.407 9.083 0.304 397 HB3 ARG 51 HB3 ARG 51 -3.468 9.581 1.625 398 HG2 ARG 51 HG2 ARG 51 -3.224 7.346 2.664 399 HG3 ARG 51 HG3 ARG 51 -2.164 6.846 1.344 400 HD2 ARG 51 HD2 ARG 51 -0.486 8.468 2.018 401 HD3 ARG 51 HD3 ARG 51 -1.572 9.144 3.240 402 HE ARG 51 HE ARG 51 -0.426 6.404 3.331 403 HH11 ARG 51 HH11 ARG 51 -1.515 9.311 5.008 404 HH12 ARG 51 HH12 ARG 51 -1.159 8.673 6.581 405 HH21 ARG 51 HH21 ARG 51 0.041 5.606 5.404 406 HH22 ARG 51 HH22 ARG 51 -0.255 6.593 6.801 407 H LEU 52 H LEU 52 -3.947 8.856 -2.189 408 HA LEU 52 HA LEU 52 -5.401 11.341 -2.261 409 HB2 LEU 52 HB2 LEU 52 -3.620 9.818 -4.112 410 HB3 LEU 52 HB3 LEU 52 -4.805 10.835 -4.905 411 HG LEU 52 HG LEU 52 -2.525 11.902 -4.562 412 HD11 LEU 52 HD11 LEU 52 -4.853 13.358 -3.287 413 HD12 LEU 52 HD12 LEU 52 -4.504 13.262 -5.016 414 HD13 LEU 52 HD13 LEU 52 -3.386 14.099 -3.942 415 HD21 LEU 52 HD21 LEU 52 -2.019 11.031 -2.324 416 HD22 LEU 52 HD22 LEU 52 -3.310 12.017 -1.634 417 HD23 LEU 52 HD23 LEU 52 -1.905 12.787 -2.378 418 H ARG 53 H ARG 53 -6.049 8.042 -3.482 419 HA ARG 53 HA ARG 53 -8.567 8.750 -4.698 420 HB2 ARG 53 HB2 ARG 53 -8.973 6.304 -4.882 421 HB3 ARG 53 HB3 ARG 53 -7.397 6.771 -5.512 422 HG2 ARG 53 HG2 ARG 53 -6.347 6.002 -3.398 423 HG3 ARG 53 HG3 ARG 53 -7.924 5.471 -2.820 424 HD2 ARG 53 HD2 ARG 53 -6.680 4.399 -5.369 425 HD3 ARG 53 HD3 ARG 53 -6.358 3.694 -3.783 426 HE ARG 53 HE ARG 53 -9.163 3.936 -4.507 427 HH11 ARG 53 HH11 ARG 53 -6.342 1.830 -4.398 428 HH12 ARG 53 HH12 ARG 53 -7.277 0.377 -4.557 429 HH21 ARG 53 HH21 ARG 53 -10.374 2.010 -4.710 430 HH22 ARG 53 HH22 ARG 53 -9.559 0.474 -4.700 431 H ALA 54 H ALA 54 -7.527 7.824 -1.480 432 HA ALA 54 HA ALA 54 -10.072 7.240 -0.331 433 HB1 ALA 54 HB1 ALA 54 -8.941 7.470 1.838 434 HB2 ALA 54 HB2 ALA 54 -7.546 8.218 1.052 435 HB3 ALA 54 HB3 ALA 54 -7.951 6.532 0.717 436 H CYS 55 H CYS 55 -8.635 10.231 -1.262 437 HA CYS 55 HA CYS 55 -10.650 11.797 0.264 438 HB2 CYS 55 HB2 CYS 55 -9.057 13.719 -0.037 439 HB3 CYS 55 HB3 CYS 55 -8.422 12.406 0.945 440 HG CYS 55 HG CYS 55 -6.259 12.141 -0.367 441 H ASP 56 H ASP 56 -10.190 10.539 -2.708 442 HA ASP 56 HA ASP 56 -10.552 12.789 -4.439 443 HB2 ASP 56 HB2 ASP 56 -9.495 10.705 -5.215 444 HB3 ASP 56 HB3 ASP 56 -10.983 9.810 -4.919 445 H TRP 57 H TRP 57 -12.726 10.423 -2.967 446 HA TRP 57 HA TRP 57 -15.091 11.018 -4.385 447 HB2 TRP 57 HB2 TRP 57 -16.271 9.733 -2.685 448 HB3 TRP 57 HB3 TRP 57 -14.741 8.936 -3.034 449 HD1 TRP 57 HD1 TRP 57 -12.778 9.210 -1.072 450 HE1 TRP 57 HE1 TRP 57 -13.006 9.485 1.470 451 HE3 TRP 57 HE3 TRP 57 -17.691 10.660 -0.824 452 HZ2 TRP 57 HZ2 TRP 57 -14.994 10.168 3.350 453 HZ3 TRP 57 HZ3 TRP 57 -18.677 11.112 1.388 454 HH2 TRP 57 HH2 TRP 57 -17.357 10.881 3.435 455 H THR 58 H THR 58 -13.552 12.742 -1.793 456 HA THR 58 HA THR 58 -15.932 14.158 -0.892 457 HB THR 58 HB THR 58 -14.364 15.372 0.597 458 HG1 THR 58 HG1 THR 58 -12.154 13.891 0.119 459 HG21 THR 58 HG21 THR 58 -13.854 12.387 0.582 460 HG22 THR 58 HG22 THR 58 -15.225 13.189 1.349 461 HG23 THR 58 HG23 THR 58 -13.594 13.482 1.941 462 H GLN 59 H GLN 59 -13.488 14.569 -3.295 463 HA GLN 59 HA GLN 59 -13.766 17.501 -3.428 464 HB2 GLN 59 HB2 GLN 59 -11.851 15.648 -4.893 465 HB3 GLN 59 HB3 GLN 59 -11.782 17.408 -4.879 466 HG2 GLN 59 HG2 GLN 59 -11.326 15.567 -2.512 467 HG3 GLN 59 HG3 GLN 59 -10.090 16.455 -3.399 468 HE21 GLN 59 HE21 GLN 59 -12.413 16.599 -0.865 469 HE22 GLN 59 HE22 GLN 59 -12.111 18.232 -0.400 470 H VAL 60 H VAL 60 -14.731 14.600 -5.114 471 HA VAL 60 HA VAL 60 -15.366 15.815 -7.637 472 HB VAL 60 HB VAL 60 -16.699 13.803 -8.129 473 HG11 VAL 60 HG11 VAL 60 -14.260 13.639 -8.415 474 HG12 VAL 60 HG12 VAL 60 -14.924 12.083 -7.922 475 HG13 VAL 60 HG13 VAL 60 -14.082 13.091 -6.747 476 HG21 VAL 60 HG21 VAL 60 -17.803 13.474 -5.961 477 HG22 VAL 60 HG22 VAL 60 -16.269 13.005 -5.229 478 HG23 VAL 60 HG23 VAL 60 -17.000 11.987 -6.471 479 H GLN 61 H GLN 61 -17.527 16.260 -8.470 480 HA GLN 61 HA GLN 61 -19.019 17.996 -6.759 481 HB2 GLN 61 HB2 GLN 61 -20.426 18.444 -8.712 482 HB3 GLN 61 HB3 GLN 61 -18.733 18.416 -9.188 483 HG2 GLN 61 HG2 GLN 61 -19.001 16.160 -10.123 484 HG3 GLN 61 HG3 GLN 61 -20.691 16.130 -9.611 485 HE21 GLN 61 HE21 GLN 61 -21.473 15.873 -11.694 486 HE22 GLN 61 HE22 GLN 61 -21.417 17.125 -12.883 487 H ASP 62 H ASP 62 -19.278 14.626 -7.389 488 HA ASP 62 HA ASP 62 -22.003 14.076 -7.219 489 HB2 ASP 62 HB2 ASP 62 -20.339 12.361 -7.830 490 HB3 ASP 62 HB3 ASP 62 -19.654 12.405 -6.208 491 H VAL 63 H VAL 63 -19.607 14.192 -4.589 492 HA VAL 63 HA VAL 63 -21.503 13.653 -2.503 493 HB VAL 63 HB VAL 63 -18.994 13.081 -2.453 494 HG11 VAL 63 HG11 VAL 63 -18.100 15.261 -3.178 495 HG12 VAL 63 HG12 VAL 63 -17.432 14.800 -1.614 496 HG13 VAL 63 HG13 VAL 63 -18.704 16.014 -1.700 497 HG21 VAL 63 HG21 VAL 63 -20.414 12.829 -0.467 498 HG22 VAL 63 HG22 VAL 63 -20.162 14.525 -0.048 499 HG23 VAL 63 HG23 VAL 63 -18.805 13.398 -0.001 500 H VAL 64 H VAL 64 -22.276 15.101 -0.940 501 HA VAL 64 HA VAL 64 -22.002 18.011 -1.473 502 HB VAL 64 HB VAL 64 -24.518 16.650 -0.356 503 HG11 VAL 64 HG11 VAL 64 -25.569 18.885 -0.717 504 HG12 VAL 64 HG12 VAL 64 -24.008 19.527 -1.237 505 HG13 VAL 64 HG13 VAL 64 -24.221 18.970 0.427 506 HG21 VAL 64 HG21 VAL 64 -24.063 17.705 -3.176 507 HG22 VAL 64 HG22 VAL 64 -25.601 17.121 -2.537 508 HG23 VAL 64 HG23 VAL 64 -24.241 16.008 -2.722 509 H LEU 65 H LEU 65 -20.373 18.261 -0.004 510 HA LEU 65 HA LEU 65 -20.887 17.661 2.859 511 HB2 LEU 65 HB2 LEU 65 -18.299 18.217 1.360 512 HB3 LEU 65 HB3 LEU 65 -18.393 18.006 3.095 513 HG LEU 65 HG LEU 65 -19.117 15.830 1.090 514 HD11 LEU 65 HD11 LEU 65 -16.491 16.210 2.560 515 HD12 LEU 65 HD12 LEU 65 -16.765 16.371 0.823 516 HD13 LEU 65 HD13 LEU 65 -16.948 14.799 1.592 517 HD21 LEU 65 HD21 LEU 65 -18.910 14.305 3.042 518 HD22 LEU 65 HD22 LEU 65 -20.188 15.499 3.252 519 HD23 LEU 65 HD23 LEU 65 -18.651 15.711 4.092 520 H THR 66 H THR 66 -19.746 19.458 4.276 521 HA THR 66 HA THR 66 -20.542 22.118 3.427 522 HB THR 66 HB THR 66 -19.631 22.867 5.605 523 HG1 THR 66 HG1 THR 66 -18.649 21.297 6.984 524 HG21 THR 66 HG21 THR 66 -21.910 21.873 5.624 525 HG22 THR 66 HG22 THR 66 -21.052 21.541 7.129 526 HG23 THR 66 HG23 THR 66 -21.209 20.274 5.910 527 H ALA 67 H ALA 67 -18.980 23.958 3.411 528 HA ALA 67 HA ALA 67 -16.690 23.642 1.828 529 HB1 ALA 67 HB1 ALA 67 -17.802 25.817 2.124 530 HB2 ALA 67 HB2 ALA 67 -16.086 25.943 2.517 531 HB3 ALA 67 HB3 ALA 67 -17.286 25.868 3.811 532 H ASP 68 H ASP 68 -17.025 23.878 5.352 533 HA ASP 68 HA ASP 68 -14.466 23.584 6.311 534 HB2 ASP 68 HB2 ASP 68 -16.352 23.861 7.833 535 HB3 ASP 68 HB3 ASP 68 -17.037 22.316 7.352 536 H GLN 69 H GLN 69 -16.649 20.876 5.496 537 HA GLN 69 HA GLN 69 -14.823 18.792 6.155 538 HB2 GLN 69 HB2 GLN 69 -17.397 18.835 4.537 539 HB3 GLN 69 HB3 GLN 69 -16.491 17.343 4.793 540 HG2 GLN 69 HG2 GLN 69 -16.807 17.478 7.183 541 HG3 GLN 69 HG3 GLN 69 -17.518 19.086 7.053 542 HE21 GLN 69 HE21 GLN 69 -18.587 16.561 8.184 543 HE22 GLN 69 HE22 GLN 69 -20.092 16.291 7.379 544 H LYS 70 H LYS 70 -15.811 20.153 3.020 545 HA LYS 70 HA LYS 70 -14.137 18.567 1.375 546 HB2 LYS 70 HB2 LYS 70 -15.631 21.161 0.924 547 HB3 LYS 70 HB3 LYS 70 -14.539 20.541 -0.317 548 HG2 LYS 70 HG2 LYS 70 -15.818 18.439 -0.404 549 HG3 LYS 70 HG3 LYS 70 -16.911 19.055 0.836 550 HD2 LYS 70 HD2 LYS 70 -17.800 20.720 -0.616 551 HD3 LYS 70 HD3 LYS 70 -16.503 20.501 -1.796 552 HE2 LYS 70 HE2 LYS 70 -17.389 18.211 -2.280 553 HE3 LYS 70 HE3 LYS 70 -18.720 18.513 -1.157 554 HZ1 LYS 70 HZ1 LYS 70 -18.141 20.101 -3.599 555 HZ2 LYS 70 HZ2 LYS 70 -19.449 20.326 -2.549 556 HZ3 LYS 70 HZ3 LYS 70 -19.336 18.916 -3.468 557 H ALA 71 H ALA 71 -13.363 21.239 3.389 558 HA ALA 71 HA ALA 71 -11.045 22.152 1.797 559 HB1 ALA 71 HB1 ALA 71 -10.691 23.818 3.613 560 HB2 ALA 71 HB2 ALA 71 -12.039 23.119 4.516 561 HB3 ALA 71 HB3 ALA 71 -12.334 23.910 2.967 562 H THR 72 H THR 72 -11.744 20.891 5.011 563 HA THR 72 HA THR 72 -9.243 20.129 5.920 564 HB THR 72 HB THR 72 -11.695 18.393 6.452 565 HG1 THR 72 HG1 THR 72 -12.584 20.204 7.106 566 HG21 THR 72 HG21 THR 72 -10.700 18.138 8.681 567 HG22 THR 72 HG22 THR 72 -9.367 19.203 8.226 568 HG23 THR 72 HG23 THR 72 -9.552 17.634 7.437 569 H TRP 73 H TRP 73 -11.314 18.370 3.643 570 HA TRP 73 HA TRP 73 -9.491 16.121 3.345 571 HB2 TRP 73 HB2 TRP 73 -12.094 16.926 2.029 572 HB3 TRP 73 HB3 TRP 73 -11.121 15.629 1.348 573 HD1 TRP 73 HD1 TRP 73 -13.721 16.221 4.004 574 HE1 TRP 73 HE1 TRP 73 -14.112 14.038 5.298 575 HE3 TRP 73 HE3 TRP 73 -9.692 13.536 2.348 576 HZ2 TRP 73 HZ2 TRP 73 -12.885 11.522 5.588 577 HZ3 TRP 73 HZ3 TRP 73 -9.372 11.244 3.190 578 HH2 TRP 73 HH2 TRP 73 -10.942 10.258 4.784 579 H ALA 74 H ALA 74 -10.175 19.140 1.638 580 HA ALA 74 HA ALA 74 -8.676 18.660 -0.731 581 HB1 ALA 74 HB1 ALA 74 -10.315 20.488 -0.587 582 HB2 ALA 74 HB2 ALA 74 -8.729 21.106 -1.056 583 HB3 ALA 74 HB3 ALA 74 -9.309 21.317 0.603 584 H LYS 75 H LYS 75 -7.806 19.740 2.479 585 HA LYS 75 HA LYS 75 -5.174 20.711 1.736 586 HB2 LYS 75 HB2 LYS 75 -6.503 20.299 4.450 587 HB3 LYS 75 HB3 LYS 75 -4.908 21.020 4.225 588 HG2 LYS 75 HG2 LYS 75 -5.874 22.910 3.026 589 HG3 LYS 75 HG3 LYS 75 -7.472 22.159 3.065 590 HD2 LYS 75 HD2 LYS 75 -7.438 22.318 5.569 591 HD3 LYS 75 HD3 LYS 75 -5.892 23.169 5.463 592 HE2 LYS 75 HE2 LYS 75 -6.979 24.988 4.189 593 HE3 LYS 75 HE3 LYS 75 -8.522 24.127 4.266 594 HZ1 LYS 75 HZ1 LYS 75 -6.980 25.151 6.583 595 HZ2 LYS 75 HZ2 LYS 75 -8.424 24.287 6.679 596 HZ3 LYS 75 HZ3 LYS 75 -8.406 25.817 5.960 597 H TYR 76 H TYR 76 -6.692 17.799 2.975 598 HA TYR 76 HA TYR 76 -4.419 16.358 3.847 599 HB2 TYR 76 HB2 TYR 76 -6.632 15.583 4.432 600 HB3 TYR 76 HB3 TYR 76 -7.125 15.494 2.746 601 HD1 TYR 76 HD2 TYR 76 -4.058 14.097 4.468 602 HD2 TYR 76 HD1 TYR 76 -7.666 13.254 2.361 603 HE1 TYR 76 HE2 TYR 76 -3.502 11.708 4.433 604 HE2 TYR 76 HE1 TYR 76 -7.113 10.873 2.331 605 HH TYR 76 HH TYR 76 -5.256 9.401 2.567 606 H ARG 77 H ARG 77 -6.135 16.287 0.702 607 HA ARG 77 HA ARG 77 -4.298 14.540 -0.600 608 HB2 ARG 77 HB2 ARG 77 -5.471 15.116 -2.675 609 HB3 ARG 77 HB3 ARG 77 -6.641 14.869 -1.389 610 HG2 ARG 77 HG2 ARG 77 -7.045 17.237 -1.198 611 HG3 ARG 77 HG3 ARG 77 -5.726 17.607 -2.309 612 HD2 ARG 77 HD2 ARG 77 -6.943 16.547 -4.152 613 HD3 ARG 77 HD3 ARG 77 -8.240 16.070 -3.051 614 HE ARG 77 HE ARG 77 -8.470 18.594 -2.670 615 HH11 ARG 77 HH11 ARG 77 -7.517 17.267 -5.801 616 HH12 ARG 77 HH12 ARG 77 -8.270 18.551 -6.694 617 HH21 ARG 77 HH21 ARG 77 -9.495 20.198 -3.840 618 HH22 ARG 77 HH22 ARG 77 -9.401 20.222 -5.572 619 H GLN 78 H GLN 78 -4.601 18.111 -0.565 620 HA GLN 78 HA GLN 78 -2.516 18.666 -2.364 621 HB2 GLN 78 HB2 GLN 78 -4.532 20.136 -1.614 622 HB3 GLN 78 HB3 GLN 78 -3.547 20.574 -0.225 623 HG2 GLN 78 HG2 GLN 78 -3.366 22.307 -1.896 624 HG3 GLN 78 HG3 GLN 78 -1.817 21.473 -1.771 625 HE21 GLN 78 HE21 GLN 78 -4.627 20.190 -3.515 626 HE22 GLN 78 HE22 GLN 78 -3.923 20.309 -5.087 627 H ALA 79 H ALA 79 -2.475 18.068 1.116 628 HA ALA 79 HA ALA 79 0.123 19.274 1.614 629 HB1 ALA 79 HB1 ALA 79 -1.538 19.076 3.419 630 HB2 ALA 79 HB2 ALA 79 -0.034 18.265 3.843 631 HB3 ALA 79 HB3 ALA 79 -1.437 17.317 3.336 632 H LEU 80 H LEU 80 -1.094 16.050 0.854 633 HA LEU 80 HA LEU 80 1.418 14.715 1.102 634 HB2 LEU 80 HB2 LEU 80 -1.044 13.800 1.117 635 HB3 LEU 80 HB3 LEU 80 -0.897 13.789 -0.630 636 HG LEU 80 HG LEU 80 1.019 12.287 1.200 637 HD11 LEU 80 HD11 LEU 80 -1.225 11.443 1.596 638 HD12 LEU 80 HD12 LEU 80 -0.238 10.254 0.755 639 HD13 LEU 80 HD13 LEU 80 -1.452 11.178 -0.133 640 HD21 LEU 80 HD21 LEU 80 1.560 10.953 -0.794 641 HD22 LEU 80 HD22 LEU 80 1.906 12.659 -1.055 642 HD23 LEU 80 HD23 LEU 80 0.458 11.940 -1.768 643 H ARG 81 H ARG 81 -0.421 16.167 -1.591 644 HA ARG 81 HA ARG 81 1.507 15.674 -3.626 645 HB2 ARG 81 HB2 ARG 81 -0.764 17.679 -3.453 646 HB3 ARG 81 HB3 ARG 81 0.273 17.535 -4.872 647 HG2 ARG 81 HG2 ARG 81 -0.426 15.048 -4.917 648 HG3 ARG 81 HG3 ARG 81 -1.693 15.509 -3.774 649 HD2 ARG 81 HD2 ARG 81 -2.565 15.515 -6.060 650 HD3 ARG 81 HD3 ARG 81 -2.548 17.158 -5.424 651 HE ARG 81 HE ARG 81 -0.257 17.210 -6.685 652 HH11 ARG 81 HH11 ARG 81 -3.225 15.788 -7.903 653 HH12 ARG 81 HH12 ARG 81 -2.787 16.022 -9.559 654 HH21 ARG 81 HH21 ARG 81 0.312 17.471 -8.847 655 HH22 ARG 81 HH22 ARG 81 -0.789 16.976 -10.095 656 H ASP 82 H ASP 82 1.257 18.120 -1.168 657 HA ASP 82 HA ASP 82 2.980 20.133 -2.105 658 HB2 ASP 82 HB2 ASP 82 1.630 20.396 -0.065 659 HB3 ASP 82 HB3 ASP 82 2.515 19.101 0.727 660 H LEU 83 H LEU 83 3.656 17.105 -0.360 661 HA LEU 83 HA LEU 83 6.505 17.187 -0.522 662 HB2 LEU 83 HB2 LEU 83 4.643 14.764 -0.364 663 HB3 LEU 83 HB3 LEU 83 6.368 14.755 -0.015 664 HG LEU 83 HG LEU 83 4.251 16.228 1.615 665 HD11 LEU 83 HD11 LEU 83 4.047 13.800 1.854 666 HD12 LEU 83 HD12 LEU 83 4.639 14.535 3.342 667 HD13 LEU 83 HD13 LEU 83 5.758 13.679 2.277 668 HD21 LEU 83 HD21 LEU 83 6.063 16.640 3.240 669 HD22 LEU 83 HD22 LEU 83 6.399 17.396 1.686 670 HD23 LEU 83 HD23 LEU 83 7.230 15.904 2.130 671 HA PRO 84 HA PRO 84 7.027 16.231 -4.941 672 HB2 PRO 84 HB2 PRO 84 9.325 14.647 -4.818 673 HB3 PRO 84 HB3 PRO 84 9.329 16.416 -4.776 674 HG2 PRO 84 HG2 PRO 84 9.449 14.465 -2.485 675 HG3 PRO 84 HG3 PRO 84 10.409 15.939 -2.737 676 HD2 PRO 84 HD2 PRO 84 8.322 15.910 -1.042 677 HD3 PRO 84 HD3 PRO 84 8.635 17.345 -2.050 678 H GLU 85 H GLU 85 6.255 14.650 -6.281 679 HA GLU 85 HA GLU 85 4.785 12.513 -5.308 680 HB2 GLU 85 HB2 GLU 85 4.537 11.692 -7.632 681 HB3 GLU 85 HB3 GLU 85 4.255 13.419 -7.522 682 HG2 GLU 85 HG2 GLU 85 6.852 12.201 -8.508 683 HG3 GLU 85 HG3 GLU 85 5.521 12.636 -9.573 684 H THR 86 H THR 86 5.444 10.751 -4.361 685 HA THR 86 HA THR 86 8.213 10.048 -4.190 686 HB THR 86 HB THR 86 7.317 8.294 -2.537 687 HG1 THR 86 HG1 THR 86 5.193 8.101 -2.281 688 HG21 THR 86 HG21 THR 86 8.052 10.533 -1.753 689 HG22 THR 86 HG22 THR 86 6.676 9.944 -0.816 690 HG23 THR 86 HG23 THR 86 6.433 11.169 -2.064 691 H VAL 87 H VAL 87 8.316 9.545 -6.554 692 HA VAL 87 HA VAL 87 7.702 6.785 -7.276 693 HB VAL 87 HB VAL 87 9.029 7.303 -9.353 694 HG11 VAL 87 HG11 VAL 87 6.886 9.375 -8.708 695 HG12 VAL 87 HG12 VAL 87 6.613 7.757 -9.359 696 HG13 VAL 87 HG13 VAL 87 7.455 8.965 -10.330 697 HG21 VAL 87 HG21 VAL 87 9.824 9.625 -9.790 698 HG22 VAL 87 HG22 VAL 87 10.660 8.904 -8.413 699 HG23 VAL 87 HG23 VAL 87 9.377 10.085 -8.146 700 H THR 88 H THR 88 10.296 8.790 -6.121 701 HA THR 88 HA THR 88 11.595 6.761 -4.663 702 HB THR 88 HB THR 88 12.599 6.159 -6.833 703 HG1 THR 88 HG1 THR 88 14.075 5.783 -5.359 704 HG21 THR 88 HG21 THR 88 12.442 8.331 -8.018 705 HG22 THR 88 HG22 THR 88 14.083 7.691 -8.069 706 HG23 THR 88 HG23 THR 88 13.689 9.003 -6.959 707 H ASP 89 H ASP 89 12.951 7.733 -3.108 708 HA ASP 89 HA ASP 89 13.831 10.448 -3.220 709 HB2 ASP 89 HB2 ASP 89 11.194 10.463 -2.691 710 HB3 ASP 89 HB3 ASP 89 11.715 10.059 -1.062 711 H LEU 90 H LEU 90 14.894 11.090 -1.104 712 HA LEU 90 HA LEU 90 15.986 8.700 0.282 713 HB2 LEU 90 HB2 LEU 90 17.192 11.467 -0.113 714 HB3 LEU 90 HB3 LEU 90 17.930 10.192 0.847 715 HG LEU 90 HG LEU 90 17.451 10.144 -2.157 716 HD11 LEU 90 HD11 LEU 90 19.901 10.109 -2.338 717 HD12 LEU 90 HD12 LEU 90 20.041 10.269 -0.585 718 HD13 LEU 90 HD13 LEU 90 19.319 11.567 -1.540 719 HD21 LEU 90 HD21 LEU 90 18.629 7.957 -0.400 720 HD22 LEU 90 HD22 LEU 90 18.622 7.963 -2.166 721 HD23 LEU 90 HD23 LEU 90 17.099 7.899 -1.286 722 H SER 91 H SER 91 13.739 11.067 0.777 723 HA SER 91 HA SER 91 14.224 11.549 3.617 724 HB2 SER 91 HB2 SER 91 11.764 12.258 1.941 725 HB3 SER 91 HB3 SER 91 12.167 12.883 3.545 726 HG SER 91 HG SER 91 12.987 13.715 1.103 727 H GLN 92 H GLN 92 12.896 10.744 5.303 728 HA GLN 92 HA GLN 92 11.582 8.227 5.024 729 HB2 GLN 92 HB2 GLN 92 11.461 10.274 7.287 730 HB3 GLN 92 HB3 GLN 92 10.840 8.627 7.385 731 HG2 GLN 92 HG2 GLN 92 13.094 7.716 7.154 732 HG3 GLN 92 HG3 GLN 92 13.750 9.334 6.902 733 HE21 GLN 92 HE21 GLN 92 15.151 9.150 8.651 734 HE22 GLN 92 HE22 GLN 92 14.610 9.214 10.291 735 H ILE 93 H ILE 93 9.530 7.848 4.335 736 HA ILE 93 HA ILE 93 7.946 10.004 3.334 737 HB ILE 93 HB ILE 93 6.242 8.084 2.812 738 HG12 ILE 93 HG12 ILE 93 7.726 5.826 2.546 739 HG13 ILE 93 HG13 ILE 93 8.546 6.469 3.950 740 HG21 ILE 93 HG21 ILE 93 7.526 7.449 0.795 741 HG22 ILE 93 HG22 ILE 93 8.988 8.136 1.506 742 HG23 ILE 93 HG23 ILE 93 7.616 9.179 1.125 743 HD11 ILE 93 HD11 ILE 93 5.613 5.789 3.785 744 HD12 ILE 93 HD12 ILE 93 6.478 6.350 5.215 745 HD13 ILE 93 HD13 ILE 93 6.879 4.793 4.502 746 H VAL 94 H VAL 94 7.492 11.280 5.174 747 HA VAL 94 HA VAL 94 5.393 10.248 6.989 748 HB VAL 94 HB VAL 94 7.121 12.753 7.308 749 HG11 VAL 94 HG11 VAL 94 6.231 12.816 9.630 750 HG12 VAL 94 HG12 VAL 94 5.198 11.431 9.278 751 HG13 VAL 94 HG13 VAL 94 4.935 12.963 8.441 752 HG21 VAL 94 HG21 VAL 94 8.343 11.535 9.080 753 HG22 VAL 94 HG22 VAL 94 8.526 10.737 7.514 754 HG23 VAL 94 HG23 VAL 94 7.420 10.071 8.720 755 H TRP 95 H TRP 95 3.599 10.542 5.809 756 HA TRP 95 HA TRP 95 3.001 13.156 4.582 757 HB2 TRP 95 HB2 TRP 95 1.377 11.565 3.138 758 HB3 TRP 95 HB3 TRP 95 3.042 11.844 2.671 759 HD1 TRP 95 HD1 TRP 95 1.915 9.215 5.332 760 HE1 TRP 95 HE1 TRP 95 2.624 6.894 4.476 761 HE3 TRP 95 HE3 TRP 95 3.594 10.534 0.685 762 HZ2 TRP 95 HZ2 TRP 95 3.729 5.771 2.148 763 HZ3 TRP 95 HZ3 TRP 95 4.437 8.766 -0.803 764 HH2 TRP 95 HH2 TRP 95 4.496 6.433 -0.094 765 HA PRO 96 HA PRO 96 -0.398 13.689 7.298 766 HB2 PRO 96 HB2 PRO 96 -2.518 14.413 5.626 767 HB3 PRO 96 HB3 PRO 96 -1.218 15.501 6.132 768 HG2 PRO 96 HG2 PRO 96 -1.449 13.887 3.586 769 HG3 PRO 96 HG3 PRO 96 -0.989 15.594 3.785 770 HD2 PRO 96 HD2 PRO 96 0.898 13.751 3.412 771 HD3 PRO 96 HD3 PRO 96 1.165 15.041 4.606 772 H GLN 97 H GLN 97 -1.854 12.467 8.314 773 HA GLN 97 HA GLN 97 -3.118 10.144 7.026 774 HB2 GLN 97 HB2 GLN 97 -2.103 9.897 9.306 775 HB3 GLN 97 HB3 GLN 97 -3.239 11.083 9.930 776 HG2 GLN 97 HG2 GLN 97 -4.029 8.914 10.561 777 HG3 GLN 97 HG3 GLN 97 -5.117 9.520 9.313 778 HE21 GLN 97 HE21 GLN 97 -4.630 6.763 10.172 779 HE22 GLN 97 HE22 GLN 97 -4.126 5.895 8.764 780 H LEU 98 H LEU 98 -5.420 9.929 6.929 781 HA LEU 98 HA LEU 98 -6.732 12.303 6.136 782 HB2 LEU 98 HB2 LEU 98 -8.757 10.772 5.849 783 HB3 LEU 98 HB3 LEU 98 -7.313 10.385 4.945 784 HG LEU 98 HG LEU 98 -6.829 8.665 6.844 785 HD11 LEU 98 HD11 LEU 98 -8.840 7.709 7.918 786 HD12 LEU 98 HD12 LEU 98 -9.795 9.077 7.319 787 HD13 LEU 98 HD13 LEU 98 -8.480 9.345 8.470 788 HD21 LEU 98 HD21 LEU 98 -9.080 8.174 4.877 789 HD22 LEU 98 HD22 LEU 98 -8.118 6.930 5.680 790 HD23 LEU 98 HD23 LEU 98 -7.353 8.034 4.539 791 HA PRO 99 HA PRO 99 -8.378 13.947 9.856 792 HB2 PRO 99 HB2 PRO 99 -10.614 15.275 8.960 793 HB3 PRO 99 HB3 PRO 99 -8.961 15.818 8.643 794 HG2 PRO 99 HG2 PRO 99 -10.802 14.231 6.840 795 HG3 PRO 99 HG3 PRO 99 -9.800 15.650 6.446 796 HD2 PRO 99 HD2 PRO 99 -8.982 13.137 5.851 797 HD3 PRO 99 HD3 PRO 99 -7.825 14.388 6.360 798 H VAL 100 H VAL 100 -10.784 12.169 7.916 799 HA VAL 100 HA VAL 100 -12.549 11.852 10.257 800 HB VAL 100 HB VAL 100 -13.136 11.257 7.320 801 HG11 VAL 100 HG11 VAL 100 -15.530 11.231 7.983 802 HG12 VAL 100 HG12 VAL 100 -15.073 11.483 9.670 803 HG13 VAL 100 HG13 VAL 100 -14.615 9.993 8.843 804 HG21 VAL 100 HG21 VAL 100 -13.881 13.750 8.918 805 HG22 VAL 100 HG22 VAL 100 -14.393 13.398 7.266 806 HG23 VAL 100 HG23 VAL 100 -12.686 13.663 7.618 Start of MODEL 6 1 H MET 1 H MET 1 7.211 -3.953 8.022 2 HA MET 1 HA MET 1 6.869 -4.433 5.685 3 HB2 MET 1 HB2 MET 1 8.524 -2.745 6.224 4 HB3 MET 1 HB3 MET 1 9.723 -3.968 6.616 5 HG2 MET 1 HG2 MET 1 8.628 -3.723 3.814 6 HG3 MET 1 HG3 MET 1 9.957 -2.707 4.372 7 HE1 MET 1 HE1 MET 1 11.440 -3.611 2.375 8 HE2 MET 1 HE2 MET 1 10.168 -4.704 1.823 9 HE3 MET 1 HE3 MET 1 11.797 -5.316 2.104 10 H LEU 2 H LEU 2 6.663 -6.029 4.290 11 HA LEU 2 HA LEU 2 8.629 -8.240 4.224 12 HB2 LEU 2 HB2 LEU 2 6.842 -9.661 3.227 13 HB3 LEU 2 HB3 LEU 2 6.504 -9.152 4.863 14 HG LEU 2 HG LEU 2 4.947 -7.352 3.783 15 HD11 LEU 2 HD11 LEU 2 5.126 -9.240 1.415 16 HD12 LEU 2 HD12 LEU 2 5.633 -7.549 1.450 17 HD13 LEU 2 HD13 LEU 2 3.929 -7.956 1.631 18 HD21 LEU 2 HD21 LEU 2 3.059 -8.919 3.724 19 HD22 LEU 2 HD22 LEU 2 4.124 -9.246 5.090 20 HD23 LEU 2 HD23 LEU 2 4.181 -10.284 3.661 21 H LEU 3 H LEU 3 9.297 -8.953 2.122 22 HA LEU 3 HA LEU 3 9.699 -6.969 0.182 23 HB2 LEU 3 HB2 LEU 3 9.949 -9.987 -0.123 24 HB3 LEU 3 HB3 LEU 3 10.821 -8.757 -1.034 25 HG LEU 3 HG LEU 3 11.170 -9.068 1.984 26 HD11 LEU 3 HD11 LEU 3 13.137 -10.402 1.640 27 HD12 LEU 3 HD12 LEU 3 12.919 -10.365 -0.109 28 HD13 LEU 3 HD13 LEU 3 11.752 -11.212 0.908 29 HD21 LEU 3 HD21 LEU 3 11.896 -6.926 1.030 30 HD22 LEU 3 HD22 LEU 3 12.936 -7.771 -0.117 31 HD23 LEU 3 HD23 LEU 3 13.273 -7.859 1.614 32 H HIS 4 H HIS 4 8.839 -6.779 -1.906 33 HA HIS 4 HA HIS 4 6.047 -7.600 -2.253 34 HB2 HIS 4 HB2 HIS 4 6.571 -5.266 -2.741 35 HB3 HIS 4 HB3 HIS 4 7.914 -5.725 -3.778 36 HD1 HIS 4 HD1 HIS 4 4.153 -5.520 -3.735 37 HD2 HIS 4 HD2 HIS 4 7.227 -6.279 -6.423 38 HE1 HIS 4 HE1 HIS 4 3.079 -5.517 -6.007 39 HE2 HIS 4 HE2 HIS 4 4.990 -5.804 -7.621 40 H SER 5 H SER 5 9.236 -8.005 -3.690 41 HA SER 5 HA SER 5 8.584 -10.521 -4.952 42 HB2 SER 5 HB2 SER 5 7.789 -8.972 -6.696 43 HB3 SER 5 HB3 SER 5 9.288 -8.057 -6.625 44 HG SER 5 HG SER 5 8.705 -10.289 -8.017 45 H VAL 6 H VAL 6 10.262 -11.545 -3.934 46 HA VAL 6 HA VAL 6 12.947 -10.338 -3.907 47 HB VAL 6 HB VAL 6 12.100 -11.149 -1.738 48 HG11 VAL 6 HG11 VAL 6 12.074 -13.936 -2.948 49 HG12 VAL 6 HG12 VAL 6 10.663 -12.999 -2.458 50 HG13 VAL 6 HG13 VAL 6 11.815 -13.552 -1.242 51 HG21 VAL 6 HG21 VAL 6 14.538 -11.128 -2.083 52 HG22 VAL 6 HG22 VAL 6 14.482 -12.770 -2.729 53 HG23 VAL 6 HG23 VAL 6 14.080 -12.472 -1.036 54 H GLU 7 H GLU 7 14.626 -11.166 -4.967 55 HA GLU 7 HA GLU 7 14.298 -13.307 -6.879 56 HB2 GLU 7 HB2 GLU 7 15.606 -11.239 -7.366 57 HB3 GLU 7 HB3 GLU 7 16.755 -11.666 -6.110 58 HG2 GLU 7 HG2 GLU 7 16.287 -13.531 -8.442 59 HG3 GLU 7 HG3 GLU 7 17.312 -12.114 -8.633 60 H THR 8 H THR 8 14.615 -15.371 -6.399 61 HA THR 8 HA THR 8 16.164 -16.197 -4.007 62 HB THR 8 HB THR 8 14.558 -18.092 -3.758 63 HG1 THR 8 HG1 THR 8 13.075 -16.780 -5.812 64 HG21 THR 8 HG21 THR 8 13.085 -15.432 -3.831 65 HG22 THR 8 HG22 THR 8 14.097 -15.989 -2.504 66 HG23 THR 8 HG23 THR 8 12.624 -16.863 -2.908 67 HA PRO 9 HA PRO 9 18.497 -19.008 -6.724 68 HB2 PRO 9 HB2 PRO 9 18.163 -21.169 -4.658 69 HB3 PRO 9 HB3 PRO 9 19.643 -20.492 -5.354 70 HG2 PRO 9 HG2 PRO 9 18.929 -19.859 -2.860 71 HG3 PRO 9 HG3 PRO 9 19.618 -18.625 -3.938 72 HD2 PRO 9 HD2 PRO 9 16.715 -19.097 -3.214 73 HD3 PRO 9 HD3 PRO 9 17.621 -17.567 -3.300 74 H ARG 10 H ARG 10 15.383 -19.817 -5.542 75 HA ARG 10 HA ARG 10 14.985 -22.044 -7.426 76 HB2 ARG 10 HB2 ARG 10 12.916 -22.473 -6.092 77 HB3 ARG 10 HB3 ARG 10 14.392 -22.544 -5.137 78 HG2 ARG 10 HG2 ARG 10 13.894 -20.162 -4.384 79 HG3 ARG 10 HG3 ARG 10 12.316 -20.331 -5.160 80 HD2 ARG 10 HD2 ARG 10 12.182 -20.790 -2.743 81 HD3 ARG 10 HD3 ARG 10 11.789 -22.234 -3.685 82 HE ARG 10 HE ARG 10 14.547 -22.247 -3.068 83 HH11 ARG 10 HH11 ARG 10 11.472 -22.717 -1.437 84 HH12 ARG 10 HH12 ARG 10 12.164 -23.683 -0.176 85 HH21 ARG 10 HH21 ARG 10 15.425 -23.520 -1.433 86 HH22 ARG 10 HH22 ARG 10 14.402 -24.150 -0.181 87 H GLY 11 H GLY 11 14.693 -18.771 -7.546 88 HA2 GLY 11 HA2 GLY 11 13.685 -18.196 -9.849 89 HA3 GLY 11 HA3 GLY 11 12.182 -18.756 -9.128 90 H GLU 12 H GLU 12 10.940 -17.095 -8.568 91 HA GLU 12 HA GLU 12 12.023 -14.851 -6.993 92 HB2 GLU 12 HB2 GLU 12 12.007 -14.123 -9.369 93 HB3 GLU 12 HB3 GLU 12 10.316 -14.582 -9.518 94 HG2 GLU 12 HG2 GLU 12 9.720 -12.826 -7.869 95 HG3 GLU 12 HG3 GLU 12 11.422 -12.363 -7.781 96 H ILE 13 H ILE 13 10.518 -14.361 -5.235 97 HA ILE 13 HA ILE 13 7.953 -15.822 -5.320 98 HB ILE 13 HB ILE 13 9.715 -15.229 -2.886 99 HG12 ILE 13 HG12 ILE 13 10.799 -16.950 -4.289 100 HG13 ILE 13 HG13 ILE 13 10.232 -17.641 -2.778 101 HG21 ILE 13 HG21 ILE 13 7.334 -15.309 -2.312 102 HG22 ILE 13 HG22 ILE 13 8.171 -16.707 -1.640 103 HG23 ILE 13 HG23 ILE 13 7.173 -16.892 -3.083 104 HD11 ILE 13 HD11 ILE 13 9.870 -19.137 -4.617 105 HD12 ILE 13 HD12 ILE 13 8.923 -17.919 -5.471 106 HD13 ILE 13 HD13 ILE 13 8.323 -18.609 -3.957 107 H LEU 14 H LEU 14 6.190 -14.591 -4.798 108 HA LEU 14 HA LEU 14 6.563 -11.682 -4.508 109 HB2 LEU 14 HB2 LEU 14 4.044 -13.232 -5.247 110 HB3 LEU 14 HB3 LEU 14 4.274 -11.488 -5.344 111 HG LEU 14 HG LEU 14 5.659 -13.586 -7.069 112 HD11 LEU 14 HD11 LEU 14 3.587 -11.502 -7.813 113 HD12 LEU 14 HD12 LEU 14 3.323 -13.243 -7.684 114 HD13 LEU 14 HD13 LEU 14 4.397 -12.609 -8.927 115 HD21 LEU 14 HD21 LEU 14 5.992 -10.561 -7.134 116 HD22 LEU 14 HD22 LEU 14 6.656 -11.689 -8.319 117 HD23 LEU 14 HD23 LEU 14 7.215 -11.740 -6.650 118 H ASN 15 H ASN 15 6.055 -10.668 -2.677 119 HA ASN 15 HA ASN 15 5.316 -10.078 -0.647 120 HB2 ASN 15 HB2 ASN 15 2.931 -11.778 -1.440 121 HB3 ASN 15 HB3 ASN 15 2.968 -10.758 -0.001 122 HD21 ASN 15 HD21 ASN 15 2.990 -10.747 -3.511 123 HD22 ASN 15 HD22 ASN 15 2.557 -9.085 -3.707 124 H VAL 16 H VAL 16 6.938 -10.912 0.509 125 HA VAL 16 HA VAL 16 6.403 -13.071 2.345 126 HB VAL 16 HB VAL 16 7.172 -14.485 0.523 127 HG11 VAL 16 HG11 VAL 16 9.583 -12.659 0.254 128 HG12 VAL 16 HG12 VAL 16 8.253 -12.803 -0.899 129 HG13 VAL 16 HG13 VAL 16 9.339 -14.171 -0.629 130 HG21 VAL 16 HG21 VAL 16 8.079 -15.092 2.731 131 HG22 VAL 16 HG22 VAL 16 9.489 -14.070 2.452 132 HG23 VAL 16 HG23 VAL 16 9.230 -15.502 1.456 133 H SER 17 H SER 17 7.596 -12.777 4.240 134 HA SER 17 HA SER 17 8.990 -10.328 4.664 135 HB2 SER 17 HB2 SER 17 9.426 -11.240 6.938 136 HB3 SER 17 HB3 SER 17 7.743 -11.452 6.462 137 HG SER 17 HG SER 17 8.188 -13.417 7.121 138 H GLU 18 H GLU 18 11.196 -10.078 5.376 139 HA GLU 18 HA GLU 18 13.161 -11.356 3.781 140 HB2 GLU 18 HB2 GLU 18 13.477 -9.676 6.306 141 HB3 GLU 18 HB3 GLU 18 14.780 -10.083 5.182 142 HG2 GLU 18 HG2 GLU 18 13.593 -8.870 3.378 143 HG3 GLU 18 HG3 GLU 18 12.305 -8.452 4.508 144 H GLN 19 H GLN 19 11.868 -12.055 6.957 145 HA GLN 19 HA GLN 19 13.766 -13.903 7.925 146 HB2 GLN 19 HB2 GLN 19 12.019 -12.984 9.368 147 HB3 GLN 19 HB3 GLN 19 10.759 -13.697 8.369 148 HG2 GLN 19 HG2 GLN 19 11.518 -15.960 9.032 149 HG3 GLN 19 HG3 GLN 19 12.770 -15.242 10.045 150 HE21 GLN 19 HE21 GLN 19 10.544 -17.027 10.758 151 HE22 GLN 19 HE22 GLN 19 9.656 -16.197 11.989 152 H GLU 20 H GLU 20 10.664 -14.494 6.230 153 HA GLU 20 HA GLU 20 11.002 -17.314 6.036 154 HB2 GLU 20 HB2 GLU 20 8.781 -16.254 6.086 155 HB3 GLU 20 HB3 GLU 20 9.102 -15.442 4.558 156 HG2 GLU 20 HG2 GLU 20 9.135 -17.581 3.379 157 HG3 GLU 20 HG3 GLU 20 8.960 -18.448 4.893 158 H ALA 21 H ALA 21 11.445 -14.674 3.684 159 HA ALA 21 HA ALA 21 12.315 -15.950 1.450 160 HB1 ALA 21 HB1 ALA 21 13.579 -13.461 2.629 161 HB2 ALA 21 HB2 ALA 21 12.131 -13.510 1.624 162 HB3 ALA 21 HB3 ALA 21 13.690 -13.975 0.941 163 H ARG 22 H ARG 22 14.493 -15.108 4.223 164 HA ARG 22 HA ARG 22 16.802 -16.446 3.200 165 HB2 ARG 22 HB2 ARG 22 16.082 -15.639 6.049 166 HB3 ARG 22 HB3 ARG 22 17.639 -16.334 5.614 167 HG2 ARG 22 HG2 ARG 22 18.069 -14.415 4.122 168 HG3 ARG 22 HG3 ARG 22 16.517 -13.718 4.582 169 HD2 ARG 22 HD2 ARG 22 18.326 -12.650 5.817 170 HD3 ARG 22 HD3 ARG 22 17.288 -13.554 6.925 171 HE ARG 22 HE ARG 22 19.576 -15.043 5.987 172 HH11 ARG 22 HH11 ARG 22 18.521 -12.785 8.481 173 HH12 ARG 22 HH12 ARG 22 19.761 -13.266 9.596 174 HH21 ARG 22 HH21 ARG 22 21.177 -15.652 7.454 175 HH22 ARG 22 HH22 ARG 22 21.266 -14.892 9.011 176 H ASP 23 H ASP 23 14.166 -17.492 5.356 177 HA ASP 23 HA ASP 23 15.581 -19.793 6.380 178 HB2 ASP 23 HB2 ASP 23 14.113 -18.520 7.860 179 HB3 ASP 23 HB3 ASP 23 12.740 -18.738 6.776 180 H VAL 24 H VAL 24 12.473 -19.433 4.682 181 HA VAL 24 HA VAL 24 12.243 -22.221 4.053 182 HB VAL 24 HB VAL 24 10.550 -19.785 3.303 183 HG11 VAL 24 HG11 VAL 24 8.778 -21.373 2.593 184 HG12 VAL 24 HG12 VAL 24 9.898 -22.718 2.814 185 HG13 VAL 24 HG13 VAL 24 10.214 -21.502 1.575 186 HG21 VAL 24 HG21 VAL 24 10.047 -21.992 5.340 187 HG22 VAL 24 HG22 VAL 24 8.966 -20.639 4.993 188 HG23 VAL 24 HG23 VAL 24 10.550 -20.341 5.720 189 H PHE 25 H PHE 25 12.725 -19.248 2.139 190 HA PHE 25 HA PHE 25 12.811 -20.776 -0.352 191 HB2 PHE 25 HB2 PHE 25 12.846 -17.775 0.122 192 HB3 PHE 25 HB3 PHE 25 12.715 -18.556 -1.456 193 HD1 PHE 25 HD1 PHE 25 10.758 -20.369 -1.635 194 HD2 PHE 25 HD2 PHE 25 10.805 -17.139 1.166 195 HE1 PHE 25 HE1 PHE 25 8.320 -20.539 -1.377 196 HE2 PHE 25 HE2 PHE 25 8.365 -17.334 1.405 197 HZ PHE 25 HZ PHE 25 7.125 -19.027 0.136 198 H GLY 26 H GLY 26 15.085 -19.731 1.889 199 HA2 GLY 26 HA2 GLY 26 17.369 -19.846 1.935 200 HA3 GLY 26 HA3 GLY 26 17.265 -20.794 0.461 201 H ALA 27 H ALA 27 16.012 -17.563 0.590 202 HA ALA 27 HA ALA 27 17.418 -16.719 -1.712 203 HB1 ALA 27 HB1 ALA 27 16.245 -14.601 -1.422 204 HB2 ALA 27 HB2 ALA 27 15.812 -15.031 0.236 205 HB3 ALA 27 HB3 ALA 27 15.140 -15.942 -1.112 206 H SER 28 H SER 28 19.000 -15.210 -1.975 207 HA SER 28 HA SER 28 21.065 -15.114 -0.016 208 HB2 SER 28 HB2 SER 28 20.823 -13.597 -2.652 209 HB3 SER 28 HB3 SER 28 22.302 -13.812 -1.712 210 HG SER 28 HG SER 28 21.159 -15.477 -3.509 211 H GLU 29 H GLU 29 21.928 -13.281 0.969 212 HA GLU 29 HA GLU 29 19.946 -11.530 2.146 213 HB2 GLU 29 HB2 GLU 29 22.982 -11.533 2.478 214 HB3 GLU 29 HB3 GLU 29 21.854 -10.590 3.455 215 HG2 GLU 29 HG2 GLU 29 20.812 -12.723 4.244 216 HG3 GLU 29 HG3 GLU 29 22.025 -13.618 3.326 217 H GLN 30 H GLN 30 22.405 -11.270 -0.318 218 HA GLN 30 HA GLN 30 22.358 -8.417 -0.702 219 HB2 GLN 30 HB2 GLN 30 23.265 -10.657 -2.562 220 HB3 GLN 30 HB3 GLN 30 23.584 -8.945 -2.818 221 HG2 GLN 30 HG2 GLN 30 24.620 -10.598 -0.491 222 HG3 GLN 30 HG3 GLN 30 25.548 -10.142 -1.917 223 HE21 GLN 30 HE21 GLN 30 26.215 -7.986 -2.158 224 HE22 GLN 30 HE22 GLN 30 26.217 -6.868 -0.838 225 H ALA 31 H ALA 31 20.626 -11.185 -2.036 226 HA ALA 31 HA ALA 31 19.267 -9.764 -4.148 227 HB1 ALA 31 HB1 ALA 31 18.002 -11.853 -4.447 228 HB2 ALA 31 HB2 ALA 31 18.686 -12.494 -2.947 229 HB3 ALA 31 HB3 ALA 31 19.735 -12.173 -4.329 230 H ILE 32 H ILE 32 18.720 -10.307 -0.717 231 HA ILE 32 HA ILE 32 15.871 -9.715 -0.794 232 HB ILE 32 HB ILE 32 17.817 -10.439 1.436 233 HG12 ILE 32 HG12 ILE 32 15.377 -11.941 0.413 234 HG13 ILE 32 HG13 ILE 32 17.033 -12.293 -0.065 235 HG21 ILE 32 HG21 ILE 32 15.891 -10.485 3.011 236 HG22 ILE 32 HG22 ILE 32 14.874 -9.769 1.765 237 HG23 ILE 32 HG23 ILE 32 16.231 -8.860 2.419 238 HD11 ILE 32 HD11 ILE 32 15.911 -12.525 2.719 239 HD12 ILE 32 HD12 ILE 32 17.573 -12.880 2.236 240 HD13 ILE 32 HD13 ILE 32 16.243 -13.843 1.600 241 H ALA 33 H ALA 33 18.933 -8.225 -0.606 242 HA ALA 33 HA ALA 33 18.210 -5.947 1.102 243 HB1 ALA 33 HB1 ALA 33 20.507 -5.124 0.640 244 HB2 ALA 33 HB2 ALA 33 20.762 -6.451 -0.497 245 HB3 ALA 33 HB3 ALA 33 20.543 -6.790 1.222 246 H ASP 34 H ASP 34 19.077 -6.623 -2.285 247 HA ASP 34 HA ASP 34 18.347 -4.195 -3.476 248 HB2 ASP 34 HB2 ASP 34 19.635 -6.151 -4.529 249 HB3 ASP 34 HB3 ASP 34 18.088 -6.957 -4.744 250 H ALA 35 H ALA 35 16.427 -7.138 -2.812 251 HA ALA 35 HA ALA 35 13.955 -6.279 -3.920 252 HB1 ALA 35 HB1 ALA 35 12.947 -8.120 -2.639 253 HB2 ALA 35 HB2 ALA 35 14.420 -8.267 -1.673 254 HB3 ALA 35 HB3 ALA 35 14.457 -8.639 -3.395 255 H ARG 36 H ARG 36 15.401 -5.903 -0.757 256 HA ARG 36 HA ARG 36 13.186 -4.852 0.683 257 HB2 ARG 36 HB2 ARG 36 15.202 -5.743 1.811 258 HB3 ARG 36 HB3 ARG 36 16.169 -4.427 1.161 259 HG2 ARG 36 HG2 ARG 36 14.864 -2.808 2.503 260 HG3 ARG 36 HG3 ARG 36 13.881 -4.133 3.138 261 HD2 ARG 36 HD2 ARG 36 15.929 -5.144 4.132 262 HD3 ARG 36 HD3 ARG 36 16.874 -3.781 3.527 263 HE ARG 36 HE ARG 36 15.389 -2.362 5.000 264 HH11 ARG 36 HH11 ARG 36 15.906 -5.730 5.841 265 HH12 ARG 36 HH12 ARG 36 15.879 -5.429 7.550 266 HH21 ARG 36 HH21 ARG 36 15.346 -1.980 7.225 267 HH22 ARG 36 HH22 ARG 36 15.546 -3.294 8.336 268 H LYS 37 H LYS 37 15.941 -3.334 -0.927 269 HA LYS 37 HA LYS 37 15.304 -0.642 -0.717 270 HB2 LYS 37 HB2 LYS 37 17.471 -1.366 -1.524 271 HB3 LYS 37 HB3 LYS 37 16.737 -2.224 -2.877 272 HG2 LYS 37 HG2 LYS 37 15.961 0.082 -3.724 273 HG3 LYS 37 HG3 LYS 37 17.030 0.770 -2.504 274 HD2 LYS 37 HD2 LYS 37 18.132 0.684 -4.697 275 HD3 LYS 37 HD3 LYS 37 18.958 -0.365 -3.543 276 HE2 LYS 37 HE2 LYS 37 17.797 -2.337 -4.523 277 HE3 LYS 37 HE3 LYS 37 16.977 -1.279 -5.671 278 HZ1 LYS 37 HZ1 LYS 37 19.083 -0.713 -6.629 279 HZ2 LYS 37 HZ2 LYS 37 18.894 -2.394 -6.612 280 HZ3 LYS 37 HZ3 LYS 37 19.908 -1.647 -5.482 281 H ALA 38 H ALA 38 13.993 -3.121 -2.862 282 HA ALA 38 HA ALA 38 13.008 -1.205 -4.834 283 HB1 ALA 38 HB1 ALA 38 12.220 -3.216 -6.045 284 HB2 ALA 38 HB2 ALA 38 12.705 -4.233 -4.684 285 HB3 ALA 38 HB3 ALA 38 13.925 -3.361 -5.612 286 H THR 39 H THR 39 11.864 -3.248 -2.177 287 HA THR 39 HA THR 39 9.060 -2.936 -2.704 288 HB THR 39 HB THR 39 10.371 -3.832 -0.086 289 HG1 THR 39 HG1 THR 39 10.637 -5.050 -2.270 290 HG21 THR 39 HG21 THR 39 7.551 -4.264 -1.146 291 HG22 THR 39 HG22 THR 39 7.995 -3.196 0.188 292 HG23 THR 39 HG23 THR 39 8.221 -4.933 0.349 293 H ILE 40 H ILE 40 11.402 -1.444 -0.433 294 HA ILE 40 HA ILE 40 9.628 0.331 0.851 295 HB ILE 40 HB ILE 40 12.629 0.625 0.319 296 HG12 ILE 40 HG12 ILE 40 12.067 -1.328 1.748 297 HG13 ILE 40 HG13 ILE 40 12.894 -0.101 2.695 298 HG21 ILE 40 HG21 ILE 40 10.885 2.295 2.181 299 HG22 ILE 40 HG22 ILE 40 11.710 2.859 0.725 300 HG23 ILE 40 HG23 ILE 40 12.652 2.342 2.125 301 HD11 ILE 40 HD11 ILE 40 9.925 -0.626 2.698 302 HD12 ILE 40 HD12 ILE 40 10.766 0.587 3.668 303 HD13 ILE 40 HD13 ILE 40 11.082 -1.127 3.929 304 H LEU 41 H LEU 41 11.865 0.944 -1.844 305 HA LEU 41 HA LEU 41 11.214 3.498 -2.612 306 HB2 LEU 41 HB2 LEU 41 13.106 2.619 -3.602 307 HB3 LEU 41 HB3 LEU 41 12.361 1.092 -3.987 308 HG LEU 41 HG LEU 41 11.444 3.474 -5.584 309 HD11 LEU 41 HD11 LEU 41 14.147 2.152 -6.058 310 HD12 LEU 41 HD12 LEU 41 13.885 3.818 -5.531 311 HD13 LEU 41 HD13 LEU 41 13.358 3.315 -7.135 312 HD21 LEU 41 HD21 LEU 41 12.077 0.599 -6.356 313 HD22 LEU 41 HD22 LEU 41 11.382 1.828 -7.423 314 HD23 LEU 41 HD23 LEU 41 10.473 1.259 -6.025 315 H GLN 42 H GLN 42 9.433 0.568 -3.391 316 HA GLN 42 HA GLN 42 7.741 1.841 -5.398 317 HB2 GLN 42 HB2 GLN 42 8.457 -0.503 -5.697 318 HB3 GLN 42 HB3 GLN 42 7.681 -0.948 -4.181 319 HG2 GLN 42 HG2 GLN 42 5.485 -0.302 -5.170 320 HG3 GLN 42 HG3 GLN 42 6.290 0.004 -6.705 321 HE21 GLN 42 HE21 GLN 42 7.032 -1.772 -7.925 322 HE22 GLN 42 HE22 GLN 42 6.506 -3.384 -7.595 323 H THR 43 H THR 43 7.360 0.349 -2.225 324 HA THR 43 HA THR 43 4.591 0.616 -1.922 325 HB THR 43 HB THR 43 6.753 0.251 0.180 326 HG1 THR 43 HG1 THR 43 6.597 -1.611 -0.921 327 HG21 THR 43 HG21 THR 43 3.753 0.033 0.628 328 HG22 THR 43 HG22 THR 43 4.819 1.243 1.344 329 HG23 THR 43 HG23 THR 43 5.001 -0.461 1.775 330 H LEU 44 H LEU 44 7.207 2.828 -0.920 331 HA LEU 44 HA LEU 44 5.716 4.592 0.695 332 HB2 LEU 44 HB2 LEU 44 8.138 5.227 -1.038 333 HB3 LEU 44 HB3 LEU 44 7.524 6.242 0.253 334 HG LEU 44 HG LEU 44 8.926 3.569 0.491 335 HD11 LEU 44 HD11 LEU 44 10.514 4.789 1.891 336 HD12 LEU 44 HD12 LEU 44 9.594 6.279 1.656 337 HD13 LEU 44 HD13 LEU 44 10.383 5.497 0.284 338 HD21 LEU 44 HD21 LEU 44 7.512 4.998 2.753 339 HD22 LEU 44 HD22 LEU 44 8.534 3.570 2.902 340 HD23 LEU 44 HD23 LEU 44 7.011 3.472 2.022 341 H ARG 45 H ARG 45 6.518 4.875 -2.802 342 HA ARG 45 HA ARG 45 4.984 7.280 -3.160 343 HB2 ARG 45 HB2 ARG 45 5.429 6.987 -5.579 344 HB3 ARG 45 HB3 ARG 45 6.886 6.862 -4.597 345 HG2 ARG 45 HG2 ARG 45 6.880 4.423 -4.815 346 HG3 ARG 45 HG3 ARG 45 5.360 4.486 -5.717 347 HD2 ARG 45 HD2 ARG 45 7.993 5.712 -6.610 348 HD3 ARG 45 HD3 ARG 45 7.319 4.190 -7.199 349 HE ARG 45 HE ARG 45 5.330 5.958 -7.686 350 HH11 ARG 45 HH11 ARG 45 8.734 6.024 -8.560 351 HH12 ARG 45 HH12 ARG 45 8.449 6.880 -10.041 352 HH21 ARG 45 HH21 ARG 45 4.984 7.112 -9.570 353 HH22 ARG 45 HH22 ARG 45 6.316 7.517 -10.606 354 H ILE 46 H ILE 46 4.224 3.852 -3.430 355 HA ILE 46 HA ILE 46 1.701 4.115 -4.751 356 HB ILE 46 HB ILE 46 2.833 1.921 -2.965 357 HG12 ILE 46 HG12 ILE 46 2.283 2.089 -5.950 358 HG13 ILE 46 HG13 ILE 46 3.864 2.079 -5.179 359 HG21 ILE 46 HG21 ILE 46 0.915 0.473 -3.573 360 HG22 ILE 46 HG22 ILE 46 0.132 1.838 -4.363 361 HG23 ILE 46 HG23 ILE 46 0.396 1.861 -2.620 362 HD11 ILE 46 HD11 ILE 46 3.384 -0.062 -6.192 363 HD12 ILE 46 HD12 ILE 46 1.898 -0.214 -5.260 364 HD13 ILE 46 HD13 ILE 46 3.462 -0.236 -4.439 365 H GLU 47 H GLU 47 2.672 3.999 -1.338 366 HA GLU 47 HA GLU 47 0.245 3.965 -0.009 367 HB2 GLU 47 HB2 GLU 47 2.920 5.185 0.706 368 HB3 GLU 47 HB3 GLU 47 1.548 5.409 1.781 369 HG2 GLU 47 HG2 GLU 47 1.391 3.039 2.151 370 HG3 GLU 47 HG3 GLU 47 2.673 2.717 0.985 371 H ARG 48 H ARG 48 2.074 6.744 -1.236 372 HA ARG 48 HA ARG 48 0.560 8.857 -0.237 373 HB2 ARG 48 HB2 ARG 48 2.795 8.982 -1.497 374 HB3 ARG 48 HB3 ARG 48 1.875 8.822 -2.989 375 HG2 ARG 48 HG2 ARG 48 0.532 10.912 -2.023 376 HG3 ARG 48 HG3 ARG 48 1.979 11.125 -1.042 377 HD2 ARG 48 HD2 ARG 48 2.302 12.511 -2.899 378 HD3 ARG 48 HD3 ARG 48 3.277 11.084 -3.262 379 HE ARG 48 HE ARG 48 0.972 10.465 -4.489 380 HH11 ARG 48 HH11 ARG 48 2.930 13.391 -4.633 381 HH12 ARG 48 HH12 ARG 48 2.360 13.814 -6.211 382 HH21 ARG 48 HH21 ARG 48 0.217 11.090 -6.519 383 HH22 ARG 48 HH22 ARG 48 0.822 12.526 -7.275 384 H ASP 49 H ASP 49 0.325 7.300 -3.448 385 HA ASP 49 HA ASP 49 -1.871 8.911 -4.295 386 HB2 ASP 49 HB2 ASP 49 -0.492 6.488 -5.495 387 HB3 ASP 49 HB3 ASP 49 -1.871 7.267 -6.277 388 H GLU 50 H GLU 50 -1.637 5.756 -2.775 389 HA GLU 50 HA GLU 50 -4.224 4.772 -3.389 390 HB2 GLU 50 HB2 GLU 50 -2.255 4.138 -1.156 391 HB3 GLU 50 HB3 GLU 50 -3.823 3.338 -1.256 392 HG2 GLU 50 HG2 GLU 50 -1.658 3.285 -3.372 393 HG3 GLU 50 HG3 GLU 50 -2.034 1.978 -2.255 394 H ARG 51 H ARG 51 -3.006 6.473 -0.495 395 HA ARG 51 HA ARG 51 -5.543 6.565 0.804 396 HB2 ARG 51 HB2 ARG 51 -4.437 8.101 2.416 397 HB3 ARG 51 HB3 ARG 51 -3.514 6.628 2.129 398 HG2 ARG 51 HG2 ARG 51 -2.077 7.965 0.512 399 HG3 ARG 51 HG3 ARG 51 -2.909 9.413 1.079 400 HD2 ARG 51 HD2 ARG 51 -1.240 7.513 2.779 401 HD3 ARG 51 HD3 ARG 51 -0.757 9.124 2.238 402 HE ARG 51 HE ARG 51 -2.578 10.035 3.616 403 HH11 ARG 51 HH11 ARG 51 -1.375 6.839 4.441 404 HH12 ARG 51 HH12 ARG 51 -2.067 6.868 6.031 405 HH21 ARG 51 HH21 ARG 51 -3.470 10.056 5.655 406 HH22 ARG 51 HH22 ARG 51 -3.280 8.692 6.713 407 H LEU 52 H LEU 52 -3.938 8.682 -1.489 408 HA LEU 52 HA LEU 52 -5.601 10.971 -1.270 409 HB2 LEU 52 HB2 LEU 52 -3.937 9.831 -3.533 410 HB3 LEU 52 HB3 LEU 52 -4.809 11.347 -3.699 411 HG LEU 52 HG LEU 52 -2.715 10.887 -1.538 412 HD11 LEU 52 HD11 LEU 52 -1.143 12.164 -2.934 413 HD12 LEU 52 HD12 LEU 52 -2.310 12.162 -4.261 414 HD13 LEU 52 HD13 LEU 52 -1.610 10.644 -3.694 415 HD21 LEU 52 HD21 LEU 52 -2.728 13.369 -1.449 416 HD22 LEU 52 HD22 LEU 52 -4.276 12.649 -1.015 417 HD23 LEU 52 HD23 LEU 52 -4.059 13.383 -2.608 418 H ARG 53 H ARG 53 -5.707 8.228 -3.592 419 HA ARG 53 HA ARG 53 -8.144 9.099 -4.846 420 HB2 ARG 53 HB2 ARG 53 -7.984 7.044 -6.178 421 HB3 ARG 53 HB3 ARG 53 -6.423 7.855 -6.093 422 HG2 ARG 53 HG2 ARG 53 -5.764 6.222 -4.280 423 HG3 ARG 53 HG3 ARG 53 -7.270 5.357 -4.592 424 HD2 ARG 53 HD2 ARG 53 -5.323 4.336 -5.748 425 HD3 ARG 53 HD3 ARG 53 -6.562 4.879 -6.882 426 HE ARG 53 HE ARG 53 -4.971 6.979 -6.937 427 HH11 ARG 53 HH11 ARG 53 -3.928 3.637 -6.837 428 HH12 ARG 53 HH12 ARG 53 -2.567 3.911 -7.877 429 HH21 ARG 53 HH21 ARG 53 -3.186 7.332 -8.284 430 HH22 ARG 53 HH22 ARG 53 -2.154 6.002 -8.700 431 H ALA 54 H ALA 54 -7.448 7.091 -2.099 432 HA ALA 54 HA ALA 54 -9.967 5.761 -1.867 433 HB1 ALA 54 HB1 ALA 54 -7.979 5.016 -0.600 434 HB2 ALA 54 HB2 ALA 54 -9.316 5.386 0.490 435 HB3 ALA 54 HB3 ALA 54 -7.979 6.528 0.314 436 H CYS 55 H CYS 55 -8.600 8.716 -0.485 437 HA CYS 55 HA CYS 55 -10.989 9.550 0.867 438 HB2 CYS 55 HB2 CYS 55 -8.368 10.974 0.297 439 HB3 CYS 55 HB3 CYS 55 -9.617 11.562 1.393 440 HG CYS 55 HG CYS 55 -8.985 8.522 2.292 441 H ASP 56 H ASP 56 -10.268 9.604 -2.386 442 HA ASP 56 HA ASP 56 -11.065 12.183 -3.243 443 HB2 ASP 56 HB2 ASP 56 -9.754 10.553 -4.621 444 HB3 ASP 56 HB3 ASP 56 -11.186 9.537 -4.754 445 H TRP 57 H TRP 57 -12.931 9.592 -1.952 446 HA TRP 57 HA TRP 57 -15.431 9.898 -3.219 447 HB2 TRP 57 HB2 TRP 57 -16.411 8.692 -1.351 448 HB3 TRP 57 HB3 TRP 57 -14.814 8.002 -1.628 449 HD1 TRP 57 HD1 TRP 57 -12.913 8.560 0.255 450 HE1 TRP 57 HE1 TRP 57 -13.120 9.172 2.727 451 HE3 TRP 57 HE3 TRP 57 -17.836 9.941 0.352 452 HZ2 TRP 57 HZ2 TRP 57 -15.065 10.110 4.503 453 HZ3 TRP 57 HZ3 TRP 57 -18.790 10.710 2.493 454 HH2 TRP 57 HH2 TRP 57 -17.423 10.798 4.528 455 H THR 58 H THR 58 -13.774 11.978 -0.990 456 HA THR 58 HA THR 58 -16.137 13.444 -0.093 457 HB THR 58 HB THR 58 -14.527 14.869 1.112 458 HG1 THR 58 HG1 THR 58 -12.279 13.425 0.532 459 HG21 THR 58 HG21 THR 58 -13.831 11.935 1.335 460 HG22 THR 58 HG22 THR 58 -15.196 12.730 2.130 461 HG23 THR 58 HG23 THR 58 -13.542 13.167 2.559 462 H GLN 59 H GLN 59 -14.170 13.471 -2.831 463 HA GLN 59 HA GLN 59 -14.489 16.350 -3.402 464 HB2 GLN 59 HB2 GLN 59 -12.646 14.297 -4.723 465 HB3 GLN 59 HB3 GLN 59 -12.651 16.035 -5.033 466 HG2 GLN 59 HG2 GLN 59 -11.963 14.705 -2.396 467 HG3 GLN 59 HG3 GLN 59 -10.802 15.380 -3.540 468 HE21 GLN 59 HE21 GLN 59 -11.621 16.023 -0.677 469 HE22 GLN 59 HE22 GLN 59 -11.862 17.738 -0.683 470 H VAL 60 H VAL 60 -15.566 13.198 -4.361 471 HA VAL 60 HA VAL 60 -16.458 13.754 -7.008 472 HB VAL 60 HB VAL 60 -17.801 11.734 -6.879 473 HG11 VAL 60 HG11 VAL 60 -15.201 11.310 -5.357 474 HG12 VAL 60 HG12 VAL 60 -15.376 11.396 -7.107 475 HG13 VAL 60 HG13 VAL 60 -16.107 10.063 -6.216 476 HG21 VAL 60 HG21 VAL 60 -17.389 11.767 -3.861 477 HG22 VAL 60 HG22 VAL 60 -18.140 10.456 -4.774 478 HG23 VAL 60 HG23 VAL 60 -18.908 12.042 -4.715 479 H GLN 61 H GLN 61 -18.767 13.808 -7.694 480 HA GLN 61 HA GLN 61 -20.118 16.033 -6.447 481 HB2 GLN 61 HB2 GLN 61 -21.686 15.875 -8.343 482 HB3 GLN 61 HB3 GLN 61 -20.013 15.874 -8.885 483 HG2 GLN 61 HG2 GLN 61 -20.108 13.448 -9.241 484 HG3 GLN 61 HG3 GLN 61 -21.771 13.411 -8.653 485 HE21 GLN 61 HE21 GLN 61 -20.711 12.608 -11.240 486 HE22 GLN 61 HE22 GLN 61 -21.559 13.530 -12.424 487 H ASP 62 H ASP 62 -20.361 12.613 -6.219 488 HA ASP 62 HA ASP 62 -23.112 12.265 -5.639 489 HB2 ASP 62 HB2 ASP 62 -21.743 10.376 -6.326 490 HB3 ASP 62 HB3 ASP 62 -20.663 10.587 -4.956 491 H VAL 63 H VAL 63 -20.325 12.966 -3.569 492 HA VAL 63 HA VAL 63 -21.549 12.154 -1.126 493 HB VAL 63 HB VAL 63 -19.092 12.085 -1.545 494 HG11 VAL 63 HG11 VAL 63 -19.192 15.111 -1.250 495 HG12 VAL 63 HG12 VAL 63 -18.759 14.214 -2.703 496 HG13 VAL 63 HG13 VAL 63 -17.722 14.138 -1.282 497 HG21 VAL 63 HG21 VAL 63 -18.393 12.783 0.721 498 HG22 VAL 63 HG22 VAL 63 -19.941 11.927 0.753 499 HG23 VAL 63 HG23 VAL 63 -19.897 13.687 0.901 500 H VAL 64 H VAL 64 -22.387 13.338 0.550 501 HA VAL 64 HA VAL 64 -22.852 16.236 0.185 502 HB VAL 64 HB VAL 64 -24.973 15.070 0.147 503 HG11 VAL 64 HG11 VAL 64 -25.841 13.663 1.994 504 HG12 VAL 64 HG12 VAL 64 -24.275 13.769 2.805 505 HG13 VAL 64 HG13 VAL 64 -24.403 12.947 1.249 506 HG21 VAL 64 HG21 VAL 64 -26.165 16.171 2.003 507 HG22 VAL 64 HG22 VAL 64 -24.941 17.239 1.311 508 HG23 VAL 64 HG23 VAL 64 -24.631 16.423 2.844 509 H LEU 65 H LEU 65 -21.308 17.251 1.292 510 HA LEU 65 HA LEU 65 -21.026 16.790 4.196 511 HB2 LEU 65 HB2 LEU 65 -18.703 17.244 2.264 512 HB3 LEU 65 HB3 LEU 65 -18.557 17.242 4.010 513 HG LEU 65 HG LEU 65 -19.361 14.801 2.368 514 HD11 LEU 65 HD11 LEU 65 -17.065 15.474 1.793 515 HD12 LEU 65 HD12 LEU 65 -17.085 13.964 2.695 516 HD13 LEU 65 HD13 LEU 65 -16.618 15.463 3.503 517 HD21 LEU 65 HD21 LEU 65 -18.868 13.547 4.429 518 HD22 LEU 65 HD22 LEU 65 -20.157 14.721 4.677 519 HD23 LEU 65 HD23 LEU 65 -18.531 15.064 5.271 520 H THR 66 H THR 66 -19.727 18.838 5.056 521 HA THR 66 HA THR 66 -21.014 21.251 4.011 522 HB THR 66 HB THR 66 -19.993 22.429 5.909 523 HG1 THR 66 HG1 THR 66 -18.630 21.184 7.363 524 HG21 THR 66 HG21 THR 66 -22.050 21.135 6.447 525 HG22 THR 66 HG22 THR 66 -20.942 21.176 7.823 526 HG23 THR 66 HG23 THR 66 -21.056 19.723 6.830 527 H ALA 67 H ALA 67 -19.710 23.167 3.443 528 HA ALA 67 HA ALA 67 -17.726 22.743 1.518 529 HB1 ALA 67 HB1 ALA 67 -19.075 24.806 1.620 530 HB2 ALA 67 HB2 ALA 67 -17.351 25.178 1.588 531 HB3 ALA 67 HB3 ALA 67 -18.251 25.285 3.107 532 H ASP 68 H ASP 68 -17.460 23.771 4.890 533 HA ASP 68 HA ASP 68 -14.769 24.013 5.317 534 HB2 ASP 68 HB2 ASP 68 -16.439 24.486 7.054 535 HB3 ASP 68 HB3 ASP 68 -16.858 22.782 7.158 536 H GLN 69 H GLN 69 -16.609 20.978 5.734 537 HA GLN 69 HA GLN 69 -14.420 19.268 6.300 538 HB2 GLN 69 HB2 GLN 69 -17.155 18.592 5.126 539 HB3 GLN 69 HB3 GLN 69 -15.986 17.378 5.646 540 HG2 GLN 69 HG2 GLN 69 -16.066 18.244 7.937 541 HG3 GLN 69 HG3 GLN 69 -17.188 19.508 7.432 542 HE21 GLN 69 HE21 GLN 69 -18.776 18.827 8.873 543 HE22 GLN 69 HE22 GLN 69 -19.679 17.372 8.637 544 H LYS 70 H LYS 70 -16.132 19.761 3.220 545 HA LYS 70 HA LYS 70 -14.580 18.054 1.594 546 HB2 LYS 70 HB2 LYS 70 -16.324 20.454 0.941 547 HB3 LYS 70 HB3 LYS 70 -15.500 19.538 -0.323 548 HG2 LYS 70 HG2 LYS 70 -16.696 17.518 0.291 549 HG3 LYS 70 HG3 LYS 70 -17.447 18.337 1.663 550 HD2 LYS 70 HD2 LYS 70 -18.793 19.715 0.224 551 HD3 LYS 70 HD3 LYS 70 -17.868 19.247 -1.211 552 HE2 LYS 70 HE2 LYS 70 -18.740 16.925 -0.956 553 HE3 LYS 70 HE3 LYS 70 -19.699 17.450 0.429 554 HZ1 LYS 70 HZ1 LYS 70 -19.959 18.432 -2.356 555 HZ2 LYS 70 HZ2 LYS 70 -20.877 18.975 -1.045 556 HZ3 LYS 70 HZ3 LYS 70 -21.020 17.373 -1.571 557 H ALA 71 H ALA 71 -13.786 21.185 2.851 558 HA ALA 71 HA ALA 71 -11.873 21.881 0.718 559 HB1 ALA 71 HB1 ALA 71 -13.250 23.709 1.654 560 HB2 ALA 71 HB2 ALA 71 -11.538 23.971 1.996 561 HB3 ALA 71 HB3 ALA 71 -12.612 23.380 3.268 562 H THR 72 H THR 72 -11.997 21.215 4.190 563 HA THR 72 HA THR 72 -9.352 20.900 4.863 564 HB THR 72 HB THR 72 -11.454 18.927 5.868 565 HG1 THR 72 HG1 THR 72 -12.486 20.618 6.573 566 HG21 THR 72 HG21 THR 72 -9.050 20.195 7.232 567 HG22 THR 72 HG22 THR 72 -9.140 18.530 6.649 568 HG23 THR 72 HG23 THR 72 -10.179 19.059 7.977 569 H TRP 73 H TRP 73 -11.442 18.480 3.317 570 HA TRP 73 HA TRP 73 -9.455 16.441 3.018 571 HB2 TRP 73 HB2 TRP 73 -12.182 16.888 1.777 572 HB3 TRP 73 HB3 TRP 73 -11.175 15.526 1.320 573 HD1 TRP 73 HD1 TRP 73 -13.581 16.642 4.023 574 HE1 TRP 73 HE1 TRP 73 -13.935 14.713 5.659 575 HE3 TRP 73 HE3 TRP 73 -9.791 13.557 2.498 576 HZ2 TRP 73 HZ2 TRP 73 -12.818 12.207 6.226 577 HZ3 TRP 73 HZ3 TRP 73 -9.517 11.405 3.656 578 HH2 TRP 73 HH2 TRP 73 -10.991 10.747 5.479 579 H ALA 74 H ALA 74 -10.598 19.105 0.977 580 HA ALA 74 HA ALA 74 -9.213 18.368 -1.410 581 HB1 ALA 74 HB1 ALA 74 -9.725 20.655 -2.169 582 HB2 ALA 74 HB2 ALA 74 -10.202 21.101 -0.527 583 HB3 ALA 74 HB3 ALA 74 -11.135 19.902 -1.424 584 H LYS 75 H LYS 75 -8.265 19.928 1.533 585 HA LYS 75 HA LYS 75 -5.795 21.111 0.492 586 HB2 LYS 75 HB2 LYS 75 -7.176 22.325 2.209 587 HB3 LYS 75 HB3 LYS 75 -6.904 21.005 3.342 588 HG2 LYS 75 HG2 LYS 75 -4.467 21.490 3.286 589 HG3 LYS 75 HG3 LYS 75 -4.770 22.844 2.197 590 HD2 LYS 75 HD2 LYS 75 -5.815 22.577 5.040 591 HD3 LYS 75 HD3 LYS 75 -4.464 23.589 4.537 592 HE2 LYS 75 HE2 LYS 75 -5.959 25.008 3.220 593 HE3 LYS 75 HE3 LYS 75 -7.320 23.930 3.544 594 HZ1 LYS 75 HZ1 LYS 75 -7.176 24.474 5.874 595 HZ2 LYS 75 HZ2 LYS 75 -7.341 25.887 4.961 596 HZ3 LYS 75 HZ3 LYS 75 -5.835 25.467 5.600 597 H TYR 76 H TYR 76 -7.008 18.468 2.445 598 HA TYR 76 HA TYR 76 -4.722 17.212 3.407 599 HB2 TYR 76 HB2 TYR 76 -6.927 16.469 4.096 600 HB3 TYR 76 HB3 TYR 76 -7.400 16.108 2.447 601 HD1 TYR 76 HD1 TYR 76 -4.835 15.027 4.995 602 HD2 TYR 76 HD2 TYR 76 -7.402 13.849 1.788 603 HE1 TYR 76 HE1 TYR 76 -4.231 12.683 5.363 604 HE2 TYR 76 HE2 TYR 76 -6.787 11.502 2.159 605 HH TYR 76 HH TYR 76 -5.166 10.141 3.181 606 H ARG 77 H ARG 77 -6.296 16.975 0.224 607 HA ARG 77 HA ARG 77 -4.636 15.034 -0.937 608 HB2 ARG 77 HB2 ARG 77 -6.800 15.743 -1.923 609 HB3 ARG 77 HB3 ARG 77 -6.098 17.310 -2.341 610 HG2 ARG 77 HG2 ARG 77 -4.519 16.214 -3.888 611 HG3 ARG 77 HG3 ARG 77 -5.132 14.629 -3.420 612 HD2 ARG 77 HD2 ARG 77 -7.338 15.209 -4.362 613 HD3 ARG 77 HD3 ARG 77 -6.711 16.792 -4.826 614 HE ARG 77 HE ARG 77 -5.390 15.794 -6.504 615 HH11 ARG 77 HH11 ARG 77 -7.316 13.329 -4.848 616 HH12 ARG 77 HH12 ARG 77 -7.180 12.192 -6.152 617 HH21 ARG 77 HH21 ARG 77 -5.252 14.313 -8.183 618 HH22 ARG 77 HH22 ARG 77 -6.016 12.764 -8.053 619 H GLN 78 H GLN 78 -4.353 18.588 -0.897 620 HA GLN 78 HA GLN 78 -2.200 18.734 -2.758 621 HB2 GLN 78 HB2 GLN 78 -2.950 20.839 -0.689 622 HB3 GLN 78 HB3 GLN 78 -2.102 21.099 -2.213 623 HG2 GLN 78 HG2 GLN 78 -5.010 20.359 -1.820 624 HG3 GLN 78 HG3 GLN 78 -4.368 21.868 -2.455 625 HE21 GLN 78 HE21 GLN 78 -2.428 20.579 -4.209 626 HE22 GLN 78 HE22 GLN 78 -3.319 19.872 -5.502 627 H ALA 79 H ALA 79 -2.314 18.949 0.785 628 HA ALA 79 HA ALA 79 0.451 19.408 1.255 629 HB1 ALA 79 HB1 ALA 79 -0.098 18.875 3.602 630 HB2 ALA 79 HB2 ALA 79 -1.658 18.216 3.092 631 HB3 ALA 79 HB3 ALA 79 -1.314 19.935 2.881 632 H LEU 80 H LEU 80 -1.286 16.545 0.443 633 HA LEU 80 HA LEU 80 0.645 14.663 1.573 634 HB2 LEU 80 HB2 LEU 80 -2.047 14.589 1.395 635 HB3 LEU 80 HB3 LEU 80 -1.684 13.847 -0.140 636 HG LEU 80 HG LEU 80 -0.728 12.782 2.547 637 HD11 LEU 80 HD11 LEU 80 -3.082 11.865 0.871 638 HD12 LEU 80 HD12 LEU 80 -3.172 12.728 2.409 639 HD13 LEU 80 HD13 LEU 80 -2.490 11.107 2.351 640 HD21 LEU 80 HD21 LEU 80 -0.732 11.455 -0.186 641 HD22 LEU 80 HD22 LEU 80 -0.214 10.719 1.335 642 HD23 LEU 80 HD23 LEU 80 0.688 12.073 0.662 643 H ARG 81 H ARG 81 -0.639 15.777 -1.550 644 HA ARG 81 HA ARG 81 0.969 14.221 -3.297 645 HB2 ARG 81 HB2 ARG 81 -0.735 16.692 -3.702 646 HB3 ARG 81 HB3 ARG 81 0.319 16.133 -4.997 647 HG2 ARG 81 HG2 ARG 81 -0.808 13.870 -4.784 648 HG3 ARG 81 HG3 ARG 81 -1.995 14.646 -3.732 649 HD2 ARG 81 HD2 ARG 81 -2.859 15.956 -5.501 650 HD3 ARG 81 HD3 ARG 81 -1.427 15.714 -6.509 651 HE ARG 81 HE ARG 81 -3.504 13.668 -5.955 652 HH11 ARG 81 HH11 ARG 81 -0.991 14.942 -8.071 653 HH12 ARG 81 HH12 ARG 81 -1.220 13.709 -9.272 654 HH21 ARG 81 HH21 ARG 81 -3.765 12.044 -7.539 655 HH22 ARG 81 HH22 ARG 81 -2.794 12.078 -8.975 656 H ASP 82 H ASP 82 1.580 17.102 -1.514 657 HA ASP 82 HA ASP 82 3.607 18.472 -2.679 658 HB2 ASP 82 HB2 ASP 82 2.739 18.985 -0.454 659 HB3 ASP 82 HB3 ASP 82 3.420 17.497 0.196 660 H LEU 83 H LEU 83 3.920 15.227 -1.274 661 HA LEU 83 HA LEU 83 6.735 14.937 -1.900 662 HB2 LEU 83 HB2 LEU 83 4.647 12.831 -1.159 663 HB3 LEU 83 HB3 LEU 83 6.369 12.536 -1.314 664 HG LEU 83 HG LEU 83 6.678 14.251 0.605 665 HD11 LEU 83 HD11 LEU 83 4.457 15.273 0.567 666 HD12 LEU 83 HD12 LEU 83 4.797 14.565 2.141 667 HD13 LEU 83 HD13 LEU 83 3.719 13.733 1.022 668 HD21 LEU 83 HD21 LEU 83 7.062 11.865 0.940 669 HD22 LEU 83 HD22 LEU 83 5.341 11.591 1.204 670 HD23 LEU 83 HD23 LEU 83 6.267 12.551 2.358 671 HA PRO 84 HA PRO 84 5.421 14.366 -6.244 672 HB2 PRO 84 HB2 PRO 84 8.334 14.130 -6.859 673 HB3 PRO 84 HB3 PRO 84 7.158 15.321 -7.429 674 HG2 PRO 84 HG2 PRO 84 9.065 15.997 -5.658 675 HG3 PRO 84 HG3 PRO 84 7.435 16.698 -5.567 676 HD2 PRO 84 HD2 PRO 84 8.591 14.399 -3.968 677 HD3 PRO 84 HD3 PRO 84 7.680 15.813 -3.393 678 H GLU 85 H GLU 85 5.279 12.673 -7.718 679 HA GLU 85 HA GLU 85 5.604 10.012 -6.752 680 HB2 GLU 85 HB2 GLU 85 5.100 10.753 -9.672 681 HB3 GLU 85 HB3 GLU 85 4.738 9.231 -8.878 682 HG2 GLU 85 HG2 GLU 85 2.632 10.103 -8.904 683 HG3 GLU 85 HG3 GLU 85 3.173 10.789 -7.377 684 H THR 86 H THR 86 7.050 11.743 -9.487 685 HA THR 86 HA THR 86 9.130 9.770 -9.895 686 HB THR 86 HB THR 86 9.808 11.323 -11.782 687 HG1 THR 86 HG1 THR 86 8.992 13.278 -10.928 688 HG21 THR 86 HG21 THR 86 7.819 10.863 -13.202 689 HG22 THR 86 HG22 THR 86 6.875 10.484 -11.760 690 HG23 THR 86 HG23 THR 86 8.233 9.453 -12.220 691 H VAL 87 H VAL 87 10.203 9.905 -7.953 692 HA VAL 87 HA VAL 87 12.098 12.168 -7.688 693 HB VAL 87 HB VAL 87 12.274 11.454 -5.195 694 HG11 VAL 87 HG11 VAL 87 9.697 12.765 -6.158 695 HG12 VAL 87 HG12 VAL 87 11.233 13.582 -5.861 696 HG13 VAL 87 HG13 VAL 87 10.337 12.874 -4.514 697 HG21 VAL 87 HG21 VAL 87 10.267 10.371 -4.205 698 HG22 VAL 87 HG22 VAL 87 11.075 9.303 -5.357 699 HG23 VAL 87 HG23 VAL 87 9.595 10.145 -5.827 700 H THR 88 H THR 88 14.219 11.614 -7.723 701 HA THR 88 HA THR 88 14.973 8.928 -8.463 702 HB THR 88 HB THR 88 16.035 10.952 -9.482 703 HG1 THR 88 HG1 THR 88 17.154 8.968 -9.580 704 HG21 THR 88 HG21 THR 88 17.812 12.167 -8.286 705 HG22 THR 88 HG22 THR 88 17.459 11.258 -6.813 706 HG23 THR 88 HG23 THR 88 16.258 12.374 -7.471 707 H ASP 89 H ASP 89 14.598 10.540 -5.516 708 HA ASP 89 HA ASP 89 15.503 8.245 -4.010 709 HB2 ASP 89 HB2 ASP 89 17.622 9.448 -4.095 710 HB3 ASP 89 HB3 ASP 89 16.843 10.967 -3.675 711 H LEU 90 H LEU 90 13.378 8.013 -3.272 712 HA LEU 90 HA LEU 90 12.158 10.156 -1.687 713 HB2 LEU 90 HB2 LEU 90 10.938 8.311 -3.202 714 HB3 LEU 90 HB3 LEU 90 11.076 7.320 -1.764 715 HG LEU 90 HG LEU 90 9.623 10.000 -1.916 716 HD11 LEU 90 HD11 LEU 90 8.435 8.326 -3.219 717 HD12 LEU 90 HD12 LEU 90 7.536 8.718 -1.755 718 HD13 LEU 90 HD13 LEU 90 8.449 7.210 -1.851 719 HD21 LEU 90 HD21 LEU 90 10.471 9.583 0.356 720 HD22 LEU 90 HD22 LEU 90 9.678 8.005 0.375 721 HD23 LEU 90 HD23 LEU 90 8.712 9.482 0.304 722 H SER 91 H SER 91 13.466 10.478 0.047 723 HA SER 91 HA SER 91 15.049 8.511 1.314 724 HB2 SER 91 HB2 SER 91 14.219 11.239 2.390 725 HB3 SER 91 HB3 SER 91 15.607 10.280 2.910 726 HG SER 91 HG SER 91 15.832 10.501 0.315 727 H GLN 92 H GLN 92 12.437 10.422 2.842 728 HA GLN 92 HA GLN 92 11.364 8.035 4.198 729 HB2 GLN 92 HB2 GLN 92 12.147 10.638 5.607 730 HB3 GLN 92 HB3 GLN 92 11.195 9.352 6.351 731 HG2 GLN 92 HG2 GLN 92 13.088 7.796 6.153 732 HG3 GLN 92 HG3 GLN 92 14.044 9.032 5.339 733 HE21 GLN 92 HE21 GLN 92 14.605 7.566 7.822 734 HE22 GLN 92 HE22 GLN 92 14.831 8.777 9.037 735 H ILE 93 H ILE 93 9.176 8.410 5.039 736 HA ILE 93 HA ILE 93 7.683 10.240 3.245 737 HB ILE 93 HB ILE 93 5.718 8.717 3.644 738 HG12 ILE 93 HG12 ILE 93 7.766 6.868 4.963 739 HG13 ILE 93 HG13 ILE 93 6.487 7.719 5.813 740 HG21 ILE 93 HG21 ILE 93 7.083 8.528 1.623 741 HG22 ILE 93 HG22 ILE 93 6.528 6.936 2.132 742 HG23 ILE 93 HG23 ILE 93 8.194 7.426 2.443 743 HD11 ILE 93 HD11 ILE 93 6.078 5.605 3.719 744 HD12 ILE 93 HD12 ILE 93 4.814 6.431 4.628 745 HD13 ILE 93 HD13 ILE 93 5.959 5.381 5.462 746 H VAL 94 H VAL 94 6.551 11.822 4.004 747 HA VAL 94 HA VAL 94 5.561 11.945 6.757 748 HB VAL 94 HB VAL 94 7.139 14.277 5.525 749 HG11 VAL 94 HG11 VAL 94 5.768 14.058 8.237 750 HG12 VAL 94 HG12 VAL 94 5.246 15.073 6.888 751 HG13 VAL 94 HG13 VAL 94 6.772 15.411 7.708 752 HG21 VAL 94 HG21 VAL 94 8.701 12.556 6.313 753 HG22 VAL 94 HG22 VAL 94 7.891 12.496 7.879 754 HG23 VAL 94 HG23 VAL 94 8.758 13.954 7.391 755 H TRP 95 H TRP 95 3.425 12.017 6.310 756 HA TRP 95 HA TRP 95 2.393 14.089 4.572 757 HB2 TRP 95 HB2 TRP 95 0.800 12.413 3.431 758 HB3 TRP 95 HB3 TRP 95 2.447 12.514 2.846 759 HD1 TRP 95 HD1 TRP 95 0.863 10.231 5.643 760 HE1 TRP 95 HE1 TRP 95 1.532 7.788 5.068 761 HE3 TRP 95 HE3 TRP 95 3.467 11.089 1.335 762 HZ2 TRP 95 HZ2 TRP 95 2.982 6.461 3.096 763 HZ3 TRP 95 HZ3 TRP 95 4.467 9.174 0.165 764 HH2 TRP 95 HH2 TRP 95 4.227 6.911 1.037 765 HA PRO 96 HA PRO 96 -0.775 14.321 7.699 766 HB2 PRO 96 HB2 PRO 96 -2.771 14.902 5.525 767 HB3 PRO 96 HB3 PRO 96 -2.311 15.885 6.922 768 HG2 PRO 96 HG2 PRO 96 -1.514 16.537 4.442 769 HG3 PRO 96 HG3 PRO 96 -0.447 16.786 5.843 770 HD2 PRO 96 HD2 PRO 96 -0.401 14.588 3.781 771 HD3 PRO 96 HD3 PRO 96 0.952 15.491 4.501 772 H GLN 97 H GLN 97 -2.137 12.886 8.684 773 HA GLN 97 HA GLN 97 -3.488 10.756 7.175 774 HB2 GLN 97 HB2 GLN 97 -2.415 10.188 9.348 775 HB3 GLN 97 HB3 GLN 97 -3.459 11.346 10.171 776 HG2 GLN 97 HG2 GLN 97 -5.441 10.006 9.564 777 HG3 GLN 97 HG3 GLN 97 -4.415 8.891 8.665 778 HE21 GLN 97 HE21 GLN 97 -5.408 9.933 11.847 779 HE22 GLN 97 HE22 GLN 97 -4.749 8.578 12.689 780 H LEU 98 H LEU 98 -5.836 10.589 7.239 781 HA LEU 98 HA LEU 98 -7.129 12.866 6.466 782 HB2 LEU 98 HB2 LEU 98 -9.287 11.398 6.946 783 HB3 LEU 98 HB3 LEU 98 -8.161 10.991 5.670 784 HG LEU 98 HG LEU 98 -7.162 9.244 7.096 785 HD11 LEU 98 HD11 LEU 98 -8.234 8.486 9.163 786 HD12 LEU 98 HD12 LEU 98 -9.332 9.867 9.105 787 HD13 LEU 98 HD13 LEU 98 -7.600 10.122 9.330 788 HD21 LEU 98 HD21 LEU 98 -8.946 8.677 5.519 789 HD22 LEU 98 HD22 LEU 98 -10.161 8.977 6.766 790 HD23 LEU 98 HD23 LEU 98 -9.014 7.645 6.950 791 HA PRO 99 HA PRO 99 -8.271 15.225 10.022 792 HB2 PRO 99 HB2 PRO 99 -10.452 16.594 9.135 793 HB3 PRO 99 HB3 PRO 99 -8.826 16.888 8.502 794 HG2 PRO 99 HG2 PRO 99 -11.029 15.179 7.320 795 HG3 PRO 99 HG3 PRO 99 -10.015 16.395 6.509 796 HD2 PRO 99 HD2 PRO 99 -9.456 13.744 6.343 797 HD3 PRO 99 HD3 PRO 99 -8.164 14.961 6.394 798 H VAL 100 H VAL 100 -10.795 13.197 8.649 799 HA VAL 100 HA VAL 100 -12.576 13.394 10.939 800 HB VAL 100 HB VAL 100 -12.811 11.721 8.391 801 HG11 VAL 100 HG11 VAL 100 -14.146 10.714 10.198 802 HG12 VAL 100 HG12 VAL 100 -15.209 11.438 8.992 803 HG13 VAL 100 HG13 VAL 100 -14.918 12.266 10.522 804 HG21 VAL 100 HG21 VAL 100 -14.426 13.435 7.632 805 HG22 VAL 100 HG22 VAL 100 -12.838 14.148 7.925 806 HG23 VAL 100 HG23 VAL 100 -14.133 14.367 9.108 Start of MODEL 7 1 H MET 1 H MET 1 5.292 -5.851 6.929 2 HA MET 1 HA MET 1 4.986 -5.197 4.071 3 HB2 MET 1 HB2 MET 1 5.981 -3.309 5.293 4 HB3 MET 1 HB3 MET 1 7.145 -4.375 6.061 5 HG2 MET 1 HG2 MET 1 7.071 -3.922 3.060 6 HG3 MET 1 HG3 MET 1 8.030 -2.942 4.170 7 HE1 MET 1 HE1 MET 1 10.589 -5.314 2.206 8 HE2 MET 1 HE2 MET 1 10.109 -3.637 2.469 9 HE3 MET 1 HE3 MET 1 9.046 -4.733 1.574 10 H LEU 2 H LEU 2 5.493 -6.861 2.905 11 HA LEU 2 HA LEU 2 7.868 -8.479 3.537 12 HB2 LEU 2 HB2 LEU 2 6.719 -10.519 2.649 13 HB3 LEU 2 HB3 LEU 2 6.058 -9.921 4.152 14 HG LEU 2 HG LEU 2 4.192 -8.837 2.688 15 HD11 LEU 2 HD11 LEU 2 5.174 -9.100 0.477 16 HD12 LEU 2 HD12 LEU 2 3.651 -9.977 0.588 17 HD13 LEU 2 HD13 LEU 2 5.181 -10.857 0.661 18 HD21 LEU 2 HD21 LEU 2 2.842 -10.872 2.730 19 HD22 LEU 2 HD22 LEU 2 3.795 -10.707 4.202 20 HD23 LEU 2 HD23 LEU 2 4.295 -11.853 2.955 21 H LEU 3 H LEU 3 8.915 -9.411 1.628 22 HA LEU 3 HA LEU 3 9.002 -7.676 -0.621 23 HB2 LEU 3 HB2 LEU 3 10.248 -10.357 0.043 24 HB3 LEU 3 HB3 LEU 3 10.500 -9.611 -1.523 25 HG LEU 3 HG LEU 3 11.722 -7.765 -0.544 26 HD11 LEU 3 HD11 LEU 3 12.212 -7.544 1.851 27 HD12 LEU 3 HD12 LEU 3 11.127 -8.890 2.209 28 HD13 LEU 3 HD13 LEU 3 10.485 -7.392 1.533 29 HD21 LEU 3 HD21 LEU 3 12.982 -9.825 -0.986 30 HD22 LEU 3 HD22 LEU 3 12.675 -10.379 0.662 31 HD23 LEU 3 HD23 LEU 3 13.660 -8.943 0.382 32 H HIS 4 H HIS 4 7.041 -7.614 -1.732 33 HA HIS 4 HA HIS 4 5.337 -9.561 -2.505 34 HB2 HIS 4 HB2 HIS 4 6.205 -7.177 -4.180 35 HB3 HIS 4 HB3 HIS 4 4.734 -8.112 -4.435 36 HD1 HIS 4 HD1 HIS 4 5.044 -4.996 -3.619 37 HD2 HIS 4 HD2 HIS 4 3.815 -8.137 -1.187 38 HE1 HIS 4 HE1 HIS 4 3.683 -3.944 -1.801 39 HE2 HIS 4 HE2 HIS 4 2.954 -5.848 -0.338 40 H SER 5 H SER 5 8.535 -9.150 -3.790 41 HA SER 5 HA SER 5 8.456 -11.740 -4.979 42 HB2 SER 5 HB2 SER 5 7.485 -10.346 -6.860 43 HB3 SER 5 HB3 SER 5 8.980 -9.417 -6.893 44 HG SER 5 HG SER 5 10.078 -11.387 -7.359 45 H VAL 6 H VAL 6 10.469 -12.582 -5.042 46 HA VAL 6 HA VAL 6 12.887 -10.974 -4.837 47 HB VAL 6 HB VAL 6 12.222 -11.223 -2.461 48 HG11 VAL 6 HG11 VAL 6 12.123 -13.417 -1.331 49 HG12 VAL 6 HG12 VAL 6 12.337 -14.224 -2.886 50 HG13 VAL 6 HG13 VAL 6 10.885 -13.268 -2.581 51 HG21 VAL 6 HG21 VAL 6 14.330 -12.165 -1.554 52 HG22 VAL 6 HG22 VAL 6 14.645 -11.153 -2.966 53 HG23 VAL 6 HG23 VAL 6 14.673 -12.912 -3.116 54 H GLU 7 H GLU 7 14.528 -11.967 -5.902 55 HA GLU 7 HA GLU 7 14.053 -14.586 -7.115 56 HB2 GLU 7 HB2 GLU 7 16.230 -12.505 -7.591 57 HB3 GLU 7 HB3 GLU 7 16.074 -14.022 -8.478 58 HG2 GLU 7 HG2 GLU 7 13.899 -13.322 -9.349 59 HG3 GLU 7 HG3 GLU 7 13.987 -11.821 -8.424 60 H THR 8 H THR 8 14.526 -16.184 -5.785 61 HA THR 8 HA THR 8 16.871 -16.178 -4.009 62 HB THR 8 HB THR 8 15.826 -18.145 -2.973 63 HG1 THR 8 HG1 THR 8 13.863 -17.955 -5.026 64 HG21 THR 8 HG21 THR 8 13.693 -16.049 -3.532 65 HG22 THR 8 HG22 THR 8 14.921 -15.942 -2.274 66 HG23 THR 8 HG23 THR 8 13.687 -17.198 -2.193 67 HA PRO 9 HA PRO 9 19.360 -19.016 -6.530 68 HB2 PRO 9 HB2 PRO 9 20.001 -21.124 -4.818 69 HB3 PRO 9 HB3 PRO 9 20.801 -19.547 -4.801 70 HG2 PRO 9 HG2 PRO 9 18.514 -20.527 -3.089 71 HG3 PRO 9 HG3 PRO 9 19.994 -19.673 -2.589 72 HD2 PRO 9 HD2 PRO 9 17.725 -18.313 -2.838 73 HD3 PRO 9 HD3 PRO 9 19.235 -17.597 -3.446 74 H ARG 10 H ARG 10 16.552 -20.413 -4.921 75 HA ARG 10 HA ARG 10 16.475 -22.763 -6.654 76 HB2 ARG 10 HB2 ARG 10 14.373 -23.343 -5.494 77 HB3 ARG 10 HB3 ARG 10 15.686 -23.045 -4.363 78 HG2 ARG 10 HG2 ARG 10 14.751 -20.806 -3.869 79 HG3 ARG 10 HG3 ARG 10 13.436 -21.105 -5.010 80 HD2 ARG 10 HD2 ARG 10 12.778 -21.472 -2.632 81 HD3 ARG 10 HD3 ARG 10 12.587 -22.921 -3.627 82 HE ARG 10 HE ARG 10 15.134 -22.970 -2.442 83 HH11 ARG 10 HH11 ARG 10 11.804 -23.245 -1.394 84 HH12 ARG 10 HH12 ARG 10 12.188 -24.298 -0.074 85 HH21 ARG 10 HH21 ARG 10 15.633 -24.322 -0.725 86 HH22 ARG 10 HH22 ARG 10 14.372 -24.899 0.317 87 H GLY 11 H GLY 11 15.555 -19.538 -6.958 88 HA2 GLY 11 HA2 GLY 11 14.894 -19.119 -9.397 89 HA3 GLY 11 HA3 GLY 11 13.474 -20.087 -9.006 90 H GLU 12 H GLU 12 12.189 -18.226 -9.581 91 HA GLU 12 HA GLU 12 12.382 -15.827 -7.915 92 HB2 GLU 12 HB2 GLU 12 11.934 -15.560 -10.336 93 HB3 GLU 12 HB3 GLU 12 10.466 -16.517 -10.183 94 HG2 GLU 12 HG2 GLU 12 9.421 -14.807 -8.813 95 HG3 GLU 12 HG3 GLU 12 10.922 -13.880 -8.757 96 H ILE 13 H ILE 13 10.967 -15.326 -6.288 97 HA ILE 13 HA ILE 13 8.867 -17.261 -5.511 98 HB ILE 13 HB ILE 13 10.927 -15.960 -3.653 99 HG12 ILE 13 HG12 ILE 13 11.912 -17.861 -4.864 100 HG13 ILE 13 HG13 ILE 13 11.695 -18.276 -3.169 101 HG21 ILE 13 HG21 ILE 13 8.613 -17.799 -2.927 102 HG22 ILE 13 HG22 ILE 13 8.751 -16.082 -2.537 103 HG23 ILE 13 HG23 ILE 13 9.870 -17.239 -1.818 104 HD11 ILE 13 HD11 ILE 13 11.149 -20.133 -4.584 105 HD12 ILE 13 HD12 ILE 13 9.970 -19.172 -5.468 106 HD13 ILE 13 HD13 ILE 13 9.691 -19.567 -3.769 107 H LEU 14 H LEU 14 6.965 -16.241 -5.240 108 HA LEU 14 HA LEU 14 6.899 -13.286 -5.226 109 HB2 LEU 14 HB2 LEU 14 4.706 -15.287 -5.895 110 HB3 LEU 14 HB3 LEU 14 4.594 -13.538 -6.064 111 HG LEU 14 HG LEU 14 6.477 -15.332 -7.663 112 HD11 LEU 14 HD11 LEU 14 4.987 -14.875 -9.567 113 HD12 LEU 14 HD12 LEU 14 3.888 -13.991 -8.505 114 HD13 LEU 14 HD13 LEU 14 4.144 -15.723 -8.270 115 HD21 LEU 14 HD21 LEU 14 7.401 -13.064 -7.363 116 HD22 LEU 14 HD22 LEU 14 5.907 -12.353 -7.972 117 HD23 LEU 14 HD23 LEU 14 6.920 -13.330 -9.039 118 H ASN 15 H ASN 15 6.442 -12.313 -3.376 119 HA ASN 15 HA ASN 15 5.445 -11.596 -1.501 120 HB2 ASN 15 HB2 ASN 15 3.294 -13.571 -2.324 121 HB3 ASN 15 HB3 ASN 15 3.131 -12.482 -0.952 122 HD21 ASN 15 HD21 ASN 15 3.256 -12.681 -4.444 123 HD22 ASN 15 HD22 ASN 15 2.719 -11.069 -4.754 124 H VAL 16 H VAL 16 7.094 -12.228 -0.203 125 HA VAL 16 HA VAL 16 6.459 -14.193 1.832 126 HB VAL 16 HB VAL 16 7.655 -15.585 0.161 127 HG11 VAL 16 HG11 VAL 16 9.975 -13.658 0.491 128 HG12 VAL 16 HG12 VAL 16 8.993 -13.868 -0.961 129 HG13 VAL 16 HG13 VAL 16 10.030 -15.183 -0.400 130 HG21 VAL 16 HG21 VAL 16 7.954 -16.151 2.537 131 HG22 VAL 16 HG22 VAL 16 9.349 -15.077 2.639 132 HG23 VAL 16 HG23 VAL 16 9.422 -16.520 1.629 133 H SER 17 H SER 17 7.561 -13.797 3.783 134 HA SER 17 HA SER 17 8.489 -11.150 4.275 135 HB2 SER 17 HB2 SER 17 8.869 -11.989 6.592 136 HB3 SER 17 HB3 SER 17 7.279 -12.436 5.979 137 HG SER 17 HG SER 17 8.046 -14.510 5.573 138 H GLU 18 H GLU 18 10.570 -10.602 5.201 139 HA GLU 18 HA GLU 18 12.836 -11.262 3.700 140 HB2 GLU 18 HB2 GLU 18 12.637 -10.114 6.514 141 HB3 GLU 18 HB3 GLU 18 14.074 -10.033 5.498 142 HG2 GLU 18 HG2 GLU 18 13.149 -8.436 4.069 143 HG3 GLU 18 HG3 GLU 18 11.491 -8.861 4.486 144 H GLN 19 H GLN 19 11.844 -12.324 6.943 145 HA GLN 19 HA GLN 19 14.115 -13.831 7.648 146 HB2 GLN 19 HB2 GLN 19 11.226 -14.130 8.579 147 HB3 GLN 19 HB3 GLN 19 12.624 -14.851 9.377 148 HG2 GLN 19 HG2 GLN 19 13.510 -12.645 9.906 149 HG3 GLN 19 HG3 GLN 19 12.194 -11.867 9.025 150 HE21 GLN 19 HE21 GLN 19 11.438 -10.721 10.830 151 HE22 GLN 19 HE22 GLN 19 10.659 -11.499 12.163 152 H GLU 20 H GLU 20 10.940 -14.944 6.479 153 HA GLU 20 HA GLU 20 11.548 -17.697 6.395 154 HB2 GLU 20 HB2 GLU 20 9.255 -16.894 6.554 155 HB3 GLU 20 HB3 GLU 20 9.389 -16.078 5.002 156 HG2 GLU 20 HG2 GLU 20 9.432 -18.173 3.814 157 HG3 GLU 20 HG3 GLU 20 9.566 -19.085 5.313 158 H ALA 21 H ALA 21 11.416 -15.296 3.730 159 HA ALA 21 HA ALA 21 12.314 -16.673 1.590 160 HB1 ALA 21 HB1 ALA 21 11.795 -14.272 1.563 161 HB2 ALA 21 HB2 ALA 21 13.338 -14.601 0.765 162 HB3 ALA 21 HB3 ALA 21 13.307 -13.927 2.400 163 H ARG 22 H ARG 22 14.562 -15.269 4.038 164 HA ARG 22 HA ARG 22 16.978 -16.160 2.814 165 HB2 ARG 22 HB2 ARG 22 16.416 -15.472 5.729 166 HB3 ARG 22 HB3 ARG 22 18.029 -15.687 5.047 167 HG2 ARG 22 HG2 ARG 22 17.755 -13.748 3.632 168 HG3 ARG 22 HG3 ARG 22 16.062 -13.587 4.109 169 HD2 ARG 22 HD2 ARG 22 18.496 -13.195 5.884 170 HD3 ARG 22 HD3 ARG 22 17.388 -11.946 5.300 171 HE ARG 22 HE ARG 22 15.978 -13.935 6.761 172 HH11 ARG 22 HH11 ARG 22 18.055 -11.154 7.289 173 HH12 ARG 22 HH12 ARG 22 17.494 -10.907 8.909 174 HH21 ARG 22 HH21 ARG 22 15.303 -13.612 8.886 175 HH22 ARG 22 HH22 ARG 22 15.936 -12.288 9.807 176 H ASP 23 H ASP 23 14.886 -17.623 5.257 177 HA ASP 23 HA ASP 23 16.845 -19.613 6.081 178 HB2 ASP 23 HB2 ASP 23 14.038 -18.909 7.028 179 HB3 ASP 23 HB3 ASP 23 14.839 -20.380 7.579 180 H VAL 24 H VAL 24 13.484 -19.814 4.811 181 HA VAL 24 HA VAL 24 13.668 -22.612 4.223 182 HB VAL 24 HB VAL 24 11.529 -20.566 3.420 183 HG11 VAL 24 HG11 VAL 24 10.032 -22.516 3.072 184 HG12 VAL 24 HG12 VAL 24 11.376 -23.613 3.389 185 HG13 VAL 24 HG13 VAL 24 11.414 -22.559 1.973 186 HG21 VAL 24 HG21 VAL 24 11.589 -22.477 5.796 187 HG22 VAL 24 HG22 VAL 24 10.244 -21.419 5.361 188 HG23 VAL 24 HG23 VAL 24 11.781 -20.722 5.871 189 H PHE 25 H PHE 25 13.298 -19.707 2.166 190 HA PHE 25 HA PHE 25 13.527 -21.251 -0.279 191 HB2 PHE 25 HB2 PHE 25 13.196 -18.253 0.156 192 HB3 PHE 25 HB3 PHE 25 13.080 -19.067 -1.402 193 HD1 PHE 25 HD2 PHE 25 11.164 -20.587 -1.885 194 HD2 PHE 25 HD1 PHE 25 11.331 -18.336 1.739 195 HE1 PHE 25 HE2 PHE 25 8.776 -21.019 -1.503 196 HE2 PHE 25 HE1 PHE 25 8.940 -18.778 2.115 197 HZ PHE 25 HZ PHE 25 7.666 -20.119 0.498 198 H GLY 26 H GLY 26 15.715 -19.601 1.769 199 HA2 GLY 26 HA2 GLY 26 18.014 -19.697 1.725 200 HA3 GLY 26 HA3 GLY 26 17.941 -20.427 0.129 201 H ALA 27 H ALA 27 16.290 -17.424 0.673 202 HA ALA 27 HA ALA 27 17.479 -16.072 -1.469 203 HB1 ALA 27 HB1 ALA 27 16.289 -14.089 -0.680 204 HB2 ALA 27 HB2 ALA 27 16.034 -14.835 0.903 205 HB3 ALA 27 HB3 ALA 27 15.257 -15.511 -0.528 206 H SER 28 H SER 28 19.227 -14.828 -1.677 207 HA SER 28 HA SER 28 21.213 -14.454 0.285 208 HB2 SER 28 HB2 SER 28 20.759 -12.909 -2.309 209 HB3 SER 28 HB3 SER 28 22.263 -12.941 -1.378 210 HG SER 28 HG SER 28 22.108 -15.333 -1.757 211 H GLU 29 H GLU 29 21.762 -12.643 1.504 212 HA GLU 29 HA GLU 29 19.588 -11.046 2.481 213 HB2 GLU 29 HB2 GLU 29 22.570 -10.783 3.031 214 HB3 GLU 29 HB3 GLU 29 21.284 -9.993 3.942 215 HG2 GLU 29 HG2 GLU 29 20.398 -12.276 4.529 216 HG3 GLU 29 HG3 GLU 29 21.827 -12.970 3.768 217 H GLN 30 H GLN 30 22.116 -10.600 0.125 218 HA GLN 30 HA GLN 30 21.916 -7.813 -0.352 219 HB2 GLN 30 HB2 GLN 30 22.655 -10.063 -2.264 220 HB3 GLN 30 HB3 GLN 30 22.974 -8.354 -2.542 221 HG2 GLN 30 HG2 GLN 30 24.185 -10.045 -0.331 222 HG3 GLN 30 HG3 GLN 30 24.995 -9.579 -1.820 223 HE21 GLN 30 HE21 GLN 30 25.636 -7.402 -2.099 224 HE22 GLN 30 HE22 GLN 30 25.802 -6.336 -0.750 225 H ALA 31 H ALA 31 20.092 -10.602 -1.542 226 HA ALA 31 HA ALA 31 18.531 -9.186 -3.489 227 HB1 ALA 31 HB1 ALA 31 17.147 -11.231 -3.580 228 HB2 ALA 31 HB2 ALA 31 17.982 -11.870 -2.155 229 HB3 ALA 31 HB3 ALA 31 18.861 -11.622 -3.665 230 H ILE 32 H ILE 32 17.532 -10.669 -0.349 231 HA ILE 32 HA ILE 32 15.430 -9.300 0.426 232 HB ILE 32 HB ILE 32 17.834 -9.695 2.258 233 HG12 ILE 32 HG12 ILE 32 17.220 -11.796 1.130 234 HG13 ILE 32 HG13 ILE 32 16.827 -11.881 2.837 235 HG21 ILE 32 HG21 ILE 32 14.893 -9.426 2.999 236 HG22 ILE 32 HG22 ILE 32 16.165 -8.245 3.323 237 HG23 ILE 32 HG23 ILE 32 16.202 -9.820 4.117 238 HD11 ILE 32 HD11 ILE 32 15.118 -12.913 1.509 239 HD12 ILE 32 HD12 ILE 32 14.894 -11.434 0.578 240 HD13 ILE 32 HD13 ILE 32 14.469 -11.472 2.294 241 H ALA 33 H ALA 33 18.539 -7.744 0.047 242 HA ALA 33 HA ALA 33 17.849 -5.379 1.597 243 HB1 ALA 33 HB1 ALA 33 20.014 -4.476 0.813 244 HB2 ALA 33 HB2 ALA 33 20.211 -5.867 -0.261 245 HB3 ALA 33 HB3 ALA 33 20.201 -6.095 1.490 246 H ASP 34 H ASP 34 18.606 -6.026 -1.822 247 HA ASP 34 HA ASP 34 17.755 -3.685 -2.994 248 HB2 ASP 34 HB2 ASP 34 19.040 -5.605 -4.084 249 HB3 ASP 34 HB3 ASP 34 17.498 -6.424 -4.303 250 H ALA 35 H ALA 35 15.810 -6.605 -2.471 251 HA ALA 35 HA ALA 35 13.469 -5.612 -3.806 252 HB1 ALA 35 HB1 ALA 35 12.381 -7.706 -3.066 253 HB2 ALA 35 HB2 ALA 35 13.798 -8.079 -2.074 254 HB3 ALA 35 HB3 ALA 35 13.947 -8.011 -3.831 255 H ARG 36 H ARG 36 14.511 -5.776 -0.395 256 HA ARG 36 HA ARG 36 12.083 -4.883 0.794 257 HB2 ARG 36 HB2 ARG 36 13.981 -5.679 2.189 258 HB3 ARG 36 HB3 ARG 36 14.951 -4.307 1.667 259 HG2 ARG 36 HG2 ARG 36 13.099 -2.835 2.757 260 HG3 ARG 36 HG3 ARG 36 12.561 -4.329 3.528 261 HD2 ARG 36 HD2 ARG 36 15.329 -3.094 3.786 262 HD3 ARG 36 HD3 ARG 36 14.048 -3.005 4.992 263 HE ARG 36 HE ARG 36 14.260 -5.343 5.356 264 HH11 ARG 36 HH11 ARG 36 16.880 -4.044 3.405 265 HH12 ARG 36 HH12 ARG 36 17.959 -5.343 3.806 266 HH21 ARG 36 HH21 ARG 36 15.673 -7.019 5.860 267 HH22 ARG 36 HH22 ARG 36 17.277 -7.016 5.191 268 H LYS 37 H LYS 37 14.985 -3.091 -0.191 269 HA LYS 37 HA LYS 37 14.225 -0.477 0.060 270 HB2 LYS 37 HB2 LYS 37 16.508 -1.117 -0.515 271 HB3 LYS 37 HB3 LYS 37 15.979 -1.827 -2.033 272 HG2 LYS 37 HG2 LYS 37 15.305 0.537 -2.758 273 HG3 LYS 37 HG3 LYS 37 16.141 1.118 -1.320 274 HD2 LYS 37 HD2 LYS 37 17.597 1.275 -3.289 275 HD3 LYS 37 HD3 LYS 37 18.255 0.112 -2.135 276 HE2 LYS 37 HE2 LYS 37 17.427 -1.751 -3.482 277 HE3 LYS 37 HE3 LYS 37 16.608 -0.642 -4.582 278 HZ1 LYS 37 HZ1 LYS 37 19.541 -0.838 -4.180 279 HZ2 LYS 37 HZ2 LYS 37 18.756 0.225 -5.239 280 HZ3 LYS 37 HZ3 LYS 37 18.668 -1.445 -5.498 281 H ALA 38 H ALA 38 13.396 -2.737 -2.548 282 HA ALA 38 HA ALA 38 12.500 -0.651 -4.358 283 HB1 ALA 38 HB1 ALA 38 12.393 -3.679 -4.641 284 HB2 ALA 38 HB2 ALA 38 13.683 -2.631 -5.233 285 HB3 ALA 38 HB3 ALA 38 12.063 -2.506 -5.920 286 H THR 39 H THR 39 11.071 -3.157 -2.251 287 HA THR 39 HA THR 39 8.373 -2.895 -3.139 288 HB THR 39 HB THR 39 9.469 -3.973 -0.490 289 HG1 THR 39 HG1 THR 39 9.869 -5.030 -2.680 290 HG21 THR 39 HG21 THR 39 7.272 -5.106 -0.232 291 HG22 THR 39 HG22 THR 39 6.666 -4.250 -1.652 292 HG23 THR 39 HG23 THR 39 7.097 -3.349 -0.196 293 H ILE 40 H ILE 40 10.223 -1.477 -0.443 294 HA ILE 40 HA ILE 40 8.221 0.217 0.612 295 HB ILE 40 HB ILE 40 11.271 0.418 0.657 296 HG12 ILE 40 HG12 ILE 40 10.294 -1.543 1.846 297 HG13 ILE 40 HG13 ILE 40 11.080 -0.433 2.959 298 HG21 ILE 40 HG21 ILE 40 9.321 2.113 2.259 299 HG22 ILE 40 HG22 ILE 40 10.395 2.687 0.982 300 HG23 ILE 40 HG23 ILE 40 11.071 2.066 2.486 301 HD11 ILE 40 HD11 ILE 40 8.107 -0.665 2.506 302 HD12 ILE 40 HD12 ILE 40 8.896 0.446 3.629 303 HD13 ILE 40 HD13 ILE 40 9.015 -1.295 3.878 304 H LEU 41 H LEU 41 10.877 0.934 -1.672 305 HA LEU 41 HA LEU 41 10.363 3.599 -2.259 306 HB2 LEU 41 HB2 LEU 41 12.415 2.828 -3.009 307 HB3 LEU 41 HB3 LEU 41 11.768 1.360 -3.690 308 HG LEU 41 HG LEU 41 11.061 3.922 -5.108 309 HD11 LEU 41 HD11 LEU 41 13.822 2.681 -5.355 310 HD12 LEU 41 HD12 LEU 41 13.459 4.246 -4.624 311 HD13 LEU 41 HD13 LEU 41 13.170 3.996 -6.344 312 HD21 LEU 41 HD21 LEU 41 10.199 1.794 -5.956 313 HD22 LEU 41 HD22 LEU 41 11.839 1.157 -6.101 314 HD23 LEU 41 HD23 LEU 41 11.321 2.510 -7.113 315 H GLN 42 H GLN 42 8.839 0.729 -3.623 316 HA GLN 42 HA GLN 42 7.515 2.146 -5.774 317 HB2 GLN 42 HB2 GLN 42 8.236 -0.187 -6.075 318 HB3 GLN 42 HB3 GLN 42 7.211 -0.704 -4.738 319 HG2 GLN 42 HG2 GLN 42 5.203 -0.189 -6.001 320 HG3 GLN 42 HG3 GLN 42 6.149 0.536 -7.300 321 HE21 GLN 42 HE21 GLN 42 5.188 -2.452 -5.776 322 HE22 GLN 42 HE22 GLN 42 5.689 -3.495 -7.055 323 H THR 43 H THR 43 6.571 0.587 -2.717 324 HA THR 43 HA THR 43 3.805 0.932 -2.818 325 HB THR 43 HB THR 43 5.598 0.791 -0.366 326 HG1 THR 43 HG1 THR 43 5.630 -1.247 -0.858 327 HG21 THR 43 HG21 THR 43 3.428 1.769 0.306 328 HG22 THR 43 HG22 THR 43 3.592 0.122 0.923 329 HG23 THR 43 HG23 THR 43 2.580 0.439 -0.488 330 H LEU 44 H LEU 44 6.244 3.022 -1.227 331 HA LEU 44 HA LEU 44 4.404 4.878 -0.110 332 HB2 LEU 44 HB2 LEU 44 7.330 5.379 -0.752 333 HB3 LEU 44 HB3 LEU 44 6.350 6.207 0.447 334 HG LEU 44 HG LEU 44 7.424 3.377 0.559 335 HD11 LEU 44 HD11 LEU 44 8.518 4.093 2.608 336 HD12 LEU 44 HD12 LEU 44 7.841 5.714 2.431 337 HD13 LEU 44 HD13 LEU 44 8.988 5.098 1.241 338 HD21 LEU 44 HD21 LEU 44 5.360 4.574 2.418 339 HD22 LEU 44 HD22 LEU 44 6.232 3.065 2.696 340 HD23 LEU 44 HD23 LEU 44 5.146 3.209 1.320 341 H ARG 45 H ARG 45 6.409 4.943 -3.009 342 HA ARG 45 HA ARG 45 5.887 7.496 -4.015 343 HB2 ARG 45 HB2 ARG 45 7.651 5.951 -4.815 344 HB3 ARG 45 HB3 ARG 45 6.428 4.882 -5.489 345 HG2 ARG 45 HG2 ARG 45 5.817 6.602 -7.131 346 HG3 ARG 45 HG3 ARG 45 6.990 7.712 -6.419 347 HD2 ARG 45 HD2 ARG 45 7.624 5.076 -7.787 348 HD3 ARG 45 HD3 ARG 45 7.891 6.692 -8.451 349 HE ARG 45 HE ARG 45 9.225 6.139 -5.922 350 HH11 ARG 45 HH11 ARG 45 9.558 6.158 -9.413 351 HH12 ARG 45 HH12 ARG 45 11.286 6.213 -9.361 352 HH21 ARG 45 HH21 ARG 45 11.491 6.216 -5.883 353 HH22 ARG 45 HH22 ARG 45 12.373 6.248 -7.372 354 H ILE 46 H ILE 46 4.206 4.421 -4.557 355 HA ILE 46 HA ILE 46 2.182 5.472 -6.305 356 HB ILE 46 HB ILE 46 2.505 2.789 -4.884 357 HG12 ILE 46 HG12 ILE 46 2.861 3.586 -7.814 358 HG13 ILE 46 HG13 ILE 46 4.155 3.226 -6.674 359 HG21 ILE 46 HG21 ILE 46 0.675 1.897 -6.285 360 HG22 ILE 46 HG22 ILE 46 0.358 3.510 -6.923 361 HG23 ILE 46 HG23 ILE 46 0.094 3.171 -5.213 362 HD11 ILE 46 HD11 ILE 46 2.089 1.273 -7.695 363 HD12 ILE 46 HD12 ILE 46 3.359 0.903 -6.520 364 HD13 ILE 46 HD13 ILE 46 3.785 1.361 -8.170 365 H GLU 47 H GLU 47 2.445 4.918 -2.838 366 HA GLU 47 HA GLU 47 -0.320 4.640 -2.218 367 HB2 GLU 47 HB2 GLU 47 1.976 4.075 -0.846 368 HB3 GLU 47 HB3 GLU 47 1.547 5.573 -0.052 369 HG2 GLU 47 HG2 GLU 47 -0.123 3.053 -0.217 370 HG3 GLU 47 HG3 GLU 47 0.733 3.646 1.198 371 H ARG 48 H ARG 48 1.923 7.351 -2.189 372 HA ARG 48 HA ARG 48 0.351 9.422 -1.160 373 HB2 ARG 48 HB2 ARG 48 2.755 9.667 -1.760 374 HB3 ARG 48 HB3 ARG 48 2.343 9.514 -3.464 375 HG2 ARG 48 HG2 ARG 48 0.883 11.625 -3.120 376 HG3 ARG 48 HG3 ARG 48 1.739 11.821 -1.589 377 HD2 ARG 48 HD2 ARG 48 2.788 13.176 -3.313 378 HD3 ARG 48 HD3 ARG 48 3.891 11.878 -2.846 379 HE ARG 48 HE ARG 48 2.346 12.052 -5.364 380 HH11 ARG 48 HH11 ARG 48 4.932 10.455 -3.549 381 HH12 ARG 48 HH12 ARG 48 5.581 9.686 -4.962 382 HH21 ARG 48 HH21 ARG 48 3.197 10.990 -7.181 383 HH22 ARG 48 HH22 ARG 48 4.602 9.985 -7.015 384 H ASP 49 H ASP 49 0.532 8.063 -4.438 385 HA ASP 49 HA ASP 49 -1.324 9.951 -5.577 386 HB2 ASP 49 HB2 ASP 49 0.628 8.818 -6.804 387 HB3 ASP 49 HB3 ASP 49 -0.358 7.361 -6.854 388 H GLU 50 H GLU 50 -1.537 6.760 -4.149 389 HA GLU 50 HA GLU 50 -4.092 5.990 -5.110 390 HB2 GLU 50 HB2 GLU 50 -2.764 5.215 -2.468 391 HB3 GLU 50 HB3 GLU 50 -4.170 4.423 -3.179 392 HG2 GLU 50 HG2 GLU 50 -1.374 4.484 -4.336 393 HG3 GLU 50 HG3 GLU 50 -2.135 3.123 -3.527 394 H ARG 51 H ARG 51 -3.033 7.769 -2.230 395 HA ARG 51 HA ARG 51 -5.713 8.188 -1.249 396 HB2 ARG 51 HB2 ARG 51 -4.633 9.635 0.481 397 HB3 ARG 51 HB3 ARG 51 -3.961 8.015 0.396 398 HG2 ARG 51 HG2 ARG 51 -2.020 8.876 -0.841 399 HG3 ARG 51 HG3 ARG 51 -2.696 10.504 -0.769 400 HD2 ARG 51 HD2 ARG 51 -0.946 10.140 0.931 401 HD3 ARG 51 HD3 ARG 51 -2.511 10.510 1.667 402 HE ARG 51 HE ARG 51 -1.512 7.736 1.404 403 HH11 ARG 51 HH11 ARG 51 -2.845 10.296 3.419 404 HH12 ARG 51 HH12 ARG 51 -2.786 9.347 4.863 405 HH21 ARG 51 HH21 ARG 51 -1.466 6.508 3.292 406 HH22 ARG 51 HH22 ARG 51 -2.009 7.189 4.793 407 H LEU 52 H LEU 52 -3.548 9.979 -3.370 408 HA LEU 52 HA LEU 52 -4.937 12.472 -3.410 409 HB2 LEU 52 HB2 LEU 52 -3.093 11.048 -5.337 410 HB3 LEU 52 HB3 LEU 52 -3.896 12.519 -5.852 411 HG LEU 52 HG LEU 52 -2.154 12.422 -3.363 412 HD11 LEU 52 HD11 LEU 52 -1.289 13.209 -6.164 413 HD12 LEU 52 HD12 LEU 52 -0.766 11.776 -5.275 414 HD13 LEU 52 HD13 LEU 52 -0.333 13.377 -4.686 415 HD21 LEU 52 HD21 LEU 52 -3.168 14.726 -5.062 416 HD22 LEU 52 HD22 LEU 52 -2.084 14.874 -3.677 417 HD23 LEU 52 HD23 LEU 52 -3.728 14.285 -3.445 418 H ARG 53 H ARG 53 -5.189 9.573 -5.502 419 HA ARG 53 HA ARG 53 -7.350 10.594 -7.088 420 HB2 ARG 53 HB2 ARG 53 -7.410 8.376 -8.131 421 HB3 ARG 53 HB3 ARG 53 -5.743 8.911 -7.969 422 HG2 ARG 53 HG2 ARG 53 -5.442 7.429 -6.023 423 HG3 ARG 53 HG3 ARG 53 -7.124 6.914 -6.140 424 HD2 ARG 53 HD2 ARG 53 -5.745 5.202 -7.111 425 HD3 ARG 53 HD3 ARG 53 -6.612 5.997 -8.425 426 HE ARG 53 HE ARG 53 -3.964 7.069 -7.968 427 HH11 ARG 53 HH11 ARG 53 -5.808 4.608 -9.694 428 HH12 ARG 53 HH12 ARG 53 -4.524 4.252 -10.801 429 HH21 ARG 53 HH21 ARG 53 -2.307 6.592 -9.453 430 HH22 ARG 53 HH22 ARG 53 -2.548 5.376 -10.672 431 H ALA 54 H ALA 54 -7.132 8.685 -4.146 432 HA ALA 54 HA ALA 54 -9.859 7.811 -4.024 433 HB1 ALA 54 HB1 ALA 54 -8.078 6.701 -2.713 434 HB2 ALA 54 HB2 ALA 54 -9.382 7.270 -1.669 435 HB3 ALA 54 HB3 ALA 54 -7.865 8.169 -1.758 436 H CYS 55 H CYS 55 -8.070 10.578 -2.649 437 HA CYS 55 HA CYS 55 -10.142 11.689 -1.061 438 HB2 CYS 55 HB2 CYS 55 -7.786 12.305 -0.721 439 HB3 CYS 55 HB3 CYS 55 -7.710 13.046 -2.314 440 HG CYS 55 HG CYS 55 -10.153 14.431 -0.617 441 H ASP 56 H ASP 56 -9.777 11.667 -4.471 442 HA ASP 56 HA ASP 56 -11.024 14.142 -5.116 443 HB2 ASP 56 HB2 ASP 56 -9.564 12.790 -6.664 444 HB3 ASP 56 HB3 ASP 56 -10.877 11.624 -6.820 445 H TRP 57 H TRP 57 -12.358 11.294 -3.765 446 HA TRP 57 HA TRP 57 -14.921 11.115 -4.890 447 HB2 TRP 57 HB2 TRP 57 -15.565 9.808 -2.980 448 HB3 TRP 57 HB3 TRP 57 -13.850 9.480 -3.211 449 HD1 TRP 57 HD1 TRP 57 -12.154 10.496 -1.284 450 HE1 TRP 57 HE1 TRP 57 -12.570 11.178 1.151 451 HE3 TRP 57 HE3 TRP 57 -17.265 10.851 -1.380 452 HZ2 TRP 57 HZ2 TRP 57 -14.745 11.804 2.817 453 HZ3 TRP 57 HZ3 TRP 57 -18.435 11.507 0.685 454 HH2 TRP 57 HH2 TRP 57 -17.202 11.975 2.744 455 H THR 58 H THR 58 -13.650 13.306 -2.462 456 HA THR 58 HA THR 58 -16.259 14.508 -1.870 457 HB THR 58 HB THR 58 -14.984 14.051 0.095 458 HG1 THR 58 HG1 THR 58 -14.929 16.048 1.029 459 HG21 THR 58 HG21 THR 58 -12.694 15.617 -1.121 460 HG22 THR 58 HG22 THR 58 -12.758 13.866 -0.903 461 HG23 THR 58 HG23 THR 58 -12.733 14.925 0.500 462 H GLN 59 H GLN 59 -13.516 15.030 -3.806 463 HA GLN 59 HA GLN 59 -13.689 17.912 -3.994 464 HB2 GLN 59 HB2 GLN 59 -12.103 15.965 -5.725 465 HB3 GLN 59 HB3 GLN 59 -11.859 17.705 -5.611 466 HG2 GLN 59 HG2 GLN 59 -11.414 15.719 -3.358 467 HG3 GLN 59 HG3 GLN 59 -10.152 16.415 -4.370 468 HE21 GLN 59 HE21 GLN 59 -12.409 17.020 -1.772 469 HE22 GLN 59 HE22 GLN 59 -11.723 18.514 -1.251 470 H VAL 60 H VAL 60 -15.002 15.135 -5.699 471 HA VAL 60 HA VAL 60 -15.916 16.597 -8.022 472 HB VAL 60 HB VAL 60 -17.226 14.581 -8.600 473 HG11 VAL 60 HG11 VAL 60 -15.342 13.003 -8.907 474 HG12 VAL 60 HG12 VAL 60 -14.385 13.913 -7.738 475 HG13 VAL 60 HG13 VAL 60 -14.859 14.666 -9.262 476 HG21 VAL 60 HG21 VAL 60 -16.290 13.418 -5.938 477 HG22 VAL 60 HG22 VAL 60 -17.149 12.528 -7.199 478 HG23 VAL 60 HG23 VAL 60 -17.953 13.854 -6.358 479 H GLN 61 H GLN 61 -18.178 16.948 -8.558 480 HA GLN 61 HA GLN 61 -19.566 18.237 -6.352 481 HB2 GLN 61 HB2 GLN 61 -20.964 19.263 -8.111 482 HB3 GLN 61 HB3 GLN 61 -19.250 19.465 -8.447 483 HG2 GLN 61 HG2 GLN 61 -19.336 17.668 -10.106 484 HG3 GLN 61 HG3 GLN 61 -21.041 17.396 -9.754 485 HE21 GLN 61 HE21 GLN 61 -19.746 18.128 -12.288 486 HE22 GLN 61 HE22 GLN 61 -20.514 19.592 -12.799 487 H ASP 62 H ASP 62 -19.649 15.145 -7.332 488 HA ASP 62 HA ASP 62 -22.445 14.542 -7.521 489 HB2 ASP 62 HB2 ASP 62 -20.038 12.776 -6.850 490 HB3 ASP 62 HB3 ASP 62 -21.674 12.157 -7.067 491 H VAL 63 H VAL 63 -20.078 14.461 -4.867 492 HA VAL 63 HA VAL 63 -22.075 13.606 -2.910 493 HB VAL 63 HB VAL 63 -19.729 12.688 -2.888 494 HG11 VAL 63 HG11 VAL 63 -18.934 15.481 -1.994 495 HG12 VAL 63 HG12 VAL 63 -18.495 14.707 -3.522 496 HG13 VAL 63 HG13 VAL 63 -17.891 14.061 -1.998 497 HG21 VAL 63 HG21 VAL 63 -21.090 12.538 -0.850 498 HG22 VAL 63 HG22 VAL 63 -20.552 14.140 -0.342 499 HG23 VAL 63 HG23 VAL 63 -19.394 12.811 -0.427 500 H VAL 64 H VAL 64 -22.607 14.835 -1.050 501 HA VAL 64 HA VAL 64 -22.167 17.757 -1.201 502 HB VAL 64 HB VAL 64 -24.599 16.312 -0.043 503 HG11 VAL 64 HG11 VAL 64 -25.572 18.589 0.216 504 HG12 VAL 64 HG12 VAL 64 -24.044 19.293 -0.318 505 HG13 VAL 64 HG13 VAL 64 -24.112 18.381 1.191 506 HG21 VAL 64 HG21 VAL 64 -25.876 17.305 -1.933 507 HG22 VAL 64 HG22 VAL 64 -24.613 16.214 -2.511 508 HG23 VAL 64 HG23 VAL 64 -24.375 17.961 -2.594 509 H LEU 65 H LEU 65 -20.976 18.487 0.365 510 HA LEU 65 HA LEU 65 -21.088 17.487 3.124 511 HB2 LEU 65 HB2 LEU 65 -18.567 17.659 1.420 512 HB3 LEU 65 HB3 LEU 65 -18.486 17.738 3.168 513 HG LEU 65 HG LEU 65 -19.661 15.345 1.689 514 HD11 LEU 65 HD11 LEU 65 -17.330 15.578 0.999 515 HD12 LEU 65 HD12 LEU 65 -17.521 14.195 2.070 516 HD13 LEU 65 HD13 LEU 65 -16.812 15.692 2.684 517 HD21 LEU 65 HD21 LEU 65 -20.362 15.582 4.037 518 HD22 LEU 65 HD22 LEU 65 -18.672 15.669 4.546 519 HD23 LEU 65 HD23 LEU 65 -19.309 14.183 3.829 520 H THR 66 H THR 66 -19.947 19.148 4.582 521 HA THR 66 HA THR 66 -20.782 21.816 3.842 522 HB THR 66 HB THR 66 -19.854 22.481 6.071 523 HG1 THR 66 HG1 THR 66 -19.284 20.270 7.262 524 HG21 THR 66 HG21 THR 66 -22.173 21.612 6.014 525 HG22 THR 66 HG22 THR 66 -21.359 21.130 7.506 526 HG23 THR 66 HG23 THR 66 -21.569 19.959 6.203 527 H ALA 67 H ALA 67 -19.321 23.671 3.760 528 HA ALA 67 HA ALA 67 -16.983 23.426 2.236 529 HB1 ALA 67 HB1 ALA 67 -18.231 25.549 2.452 530 HB2 ALA 67 HB2 ALA 67 -16.523 25.772 2.832 531 HB3 ALA 67 HB3 ALA 67 -17.713 25.687 4.136 532 H ASP 68 H ASP 68 -17.423 23.656 5.742 533 HA ASP 68 HA ASP 68 -14.903 23.563 6.802 534 HB2 ASP 68 HB2 ASP 68 -17.272 21.895 7.757 535 HB3 ASP 68 HB3 ASP 68 -15.861 22.322 8.719 536 H GLN 69 H GLN 69 -16.807 20.704 5.813 537 HA GLN 69 HA GLN 69 -14.811 18.733 6.347 538 HB2 GLN 69 HB2 GLN 69 -17.294 18.628 4.572 539 HB3 GLN 69 HB3 GLN 69 -16.280 17.224 4.888 540 HG2 GLN 69 HG2 GLN 69 -17.659 18.793 7.078 541 HG3 GLN 69 HG3 GLN 69 -18.393 17.416 6.259 542 HE21 GLN 69 HE21 GLN 69 -18.534 16.306 8.228 543 HE22 GLN 69 HE22 GLN 69 -17.157 15.567 8.961 544 H LYS 70 H LYS 70 -15.927 20.185 3.285 545 HA LYS 70 HA LYS 70 -14.205 18.726 1.588 546 HB2 LYS 70 HB2 LYS 70 -15.912 21.199 1.156 547 HB3 LYS 70 HB3 LYS 70 -14.916 20.523 -0.133 548 HG2 LYS 70 HG2 LYS 70 -16.116 18.358 0.094 549 HG3 LYS 70 HG3 LYS 70 -17.145 19.078 1.336 550 HD2 LYS 70 HD2 LYS 70 -18.138 20.600 -0.251 551 HD3 LYS 70 HD3 LYS 70 -16.946 20.183 -1.486 552 HE2 LYS 70 HE2 LYS 70 -17.893 17.858 -1.542 553 HE3 LYS 70 HE3 LYS 70 -19.127 18.363 -0.386 554 HZ1 LYS 70 HZ1 LYS 70 -19.912 19.984 -2.003 555 HZ2 LYS 70 HZ2 LYS 70 -19.964 18.417 -2.640 556 HZ3 LYS 70 HZ3 LYS 70 -18.736 19.481 -3.108 557 H ALA 71 H ALA 71 -13.601 21.557 3.473 558 HA ALA 71 HA ALA 71 -11.393 22.540 1.779 559 HB1 ALA 71 HB1 ALA 71 -12.775 24.240 2.914 560 HB2 ALA 71 HB2 ALA 71 -11.105 24.306 3.482 561 HB3 ALA 71 HB3 ALA 71 -12.352 23.555 4.484 562 H THR 72 H THR 72 -11.953 21.233 4.984 563 HA THR 72 HA THR 72 -9.366 20.612 5.832 564 HB THR 72 HB THR 72 -11.866 18.938 6.359 565 HG1 THR 72 HG1 THR 72 -11.855 21.243 6.983 566 HG21 THR 72 HG21 THR 72 -9.226 19.050 7.874 567 HG22 THR 72 HG22 THR 72 -9.825 17.676 6.946 568 HG23 THR 72 HG23 THR 72 -10.674 18.178 8.404 569 H TRP 73 H TRP 73 -11.476 18.710 3.702 570 HA TRP 73 HA TRP 73 -9.643 16.589 3.131 571 HB2 TRP 73 HB2 TRP 73 -12.243 17.549 1.934 572 HB3 TRP 73 HB3 TRP 73 -11.276 16.405 1.023 573 HD1 TRP 73 HD1 TRP 73 -13.874 16.493 3.724 574 HE1 TRP 73 HE1 TRP 73 -14.262 14.109 4.607 575 HE3 TRP 73 HE3 TRP 73 -9.793 14.153 1.656 576 HZ2 TRP 73 HZ2 TRP 73 -13.026 11.587 4.452 577 HZ3 TRP 73 HZ3 TRP 73 -9.488 11.741 2.097 578 HH2 TRP 73 HH2 TRP 73 -11.070 10.492 3.462 579 H ALA 74 H ALA 74 -10.233 19.783 1.739 580 HA ALA 74 HA ALA 74 -8.828 19.392 -0.733 581 HB1 ALA 74 HB1 ALA 74 -9.024 21.835 -1.012 582 HB2 ALA 74 HB2 ALA 74 -9.557 21.994 0.666 583 HB3 ALA 74 HB3 ALA 74 -10.559 21.128 -0.499 584 H LYS 75 H LYS 75 -7.858 20.410 2.511 585 HA LYS 75 HA LYS 75 -5.245 21.454 1.777 586 HB2 LYS 75 HB2 LYS 75 -6.334 20.616 4.505 587 HB3 LYS 75 HB3 LYS 75 -4.821 21.480 4.239 588 HG2 LYS 75 HG2 LYS 75 -6.100 23.398 3.322 589 HG3 LYS 75 HG3 LYS 75 -7.605 22.535 3.641 590 HD2 LYS 75 HD2 LYS 75 -5.575 23.462 5.710 591 HD3 LYS 75 HD3 LYS 75 -7.168 24.162 5.423 592 HE2 LYS 75 HE2 LYS 75 -8.229 22.063 6.190 593 HE3 LYS 75 HE3 LYS 75 -6.638 21.343 6.435 594 HZ1 LYS 75 HZ1 LYS 75 -7.704 23.706 7.878 595 HZ2 LYS 75 HZ2 LYS 75 -6.178 23.017 8.108 596 HZ3 LYS 75 HZ3 LYS 75 -7.567 22.139 8.497 597 H TYR 76 H TYR 76 -6.634 18.469 2.971 598 HA TYR 76 HA TYR 76 -4.436 16.850 3.479 599 HB2 TYR 76 HB2 TYR 76 -6.732 16.169 3.987 600 HB3 TYR 76 HB3 TYR 76 -7.174 16.198 2.288 601 HD1 TYR 76 HD2 TYR 76 -5.032 14.399 4.764 602 HD2 TYR 76 HD1 TYR 76 -6.969 14.205 0.963 603 HE1 TYR 76 HE2 TYR 76 -4.540 12.004 4.625 604 HE2 TYR 76 HE1 TYR 76 -6.475 11.799 0.831 605 HH TYR 76 HH TYR 76 -5.045 10.152 1.783 606 H ARG 77 H ARG 77 -6.183 17.343 0.426 607 HA ARG 77 HA ARG 77 -4.509 15.692 -1.201 608 HB2 ARG 77 HB2 ARG 77 -7.012 16.460 -1.517 609 HB3 ARG 77 HB3 ARG 77 -6.315 17.894 -2.260 610 HG2 ARG 77 HG2 ARG 77 -5.228 16.507 -3.973 611 HG3 ARG 77 HG3 ARG 77 -5.844 15.044 -3.197 612 HD2 ARG 77 HD2 ARG 77 -8.172 15.852 -3.629 613 HD3 ARG 77 HD3 ARG 77 -7.497 17.237 -4.495 614 HE ARG 77 HE ARG 77 -6.598 14.677 -5.492 615 HH11 ARG 77 HH11 ARG 77 -9.048 17.190 -5.850 616 HH12 ARG 77 HH12 ARG 77 -9.592 16.576 -7.375 617 HH21 ARG 77 HH21 ARG 77 -7.299 13.956 -7.507 618 HH22 ARG 77 HH22 ARG 77 -8.595 14.774 -8.314 619 H GLN 78 H GLN 78 -4.886 19.257 -0.946 620 HA GLN 78 HA GLN 78 -2.933 20.272 -2.515 621 HB2 GLN 78 HB2 GLN 78 -4.582 21.582 -1.197 622 HB3 GLN 78 HB3 GLN 78 -3.691 21.237 0.275 623 HG2 GLN 78 HG2 GLN 78 -3.273 23.512 -0.489 624 HG3 GLN 78 HG3 GLN 78 -1.794 22.560 -0.543 625 HE21 GLN 78 HE21 GLN 78 -4.338 22.344 -2.997 626 HE22 GLN 78 HE22 GLN 78 -3.411 23.061 -4.262 627 H ALA 79 H ALA 79 -2.413 18.910 0.707 628 HA ALA 79 HA ALA 79 0.285 19.698 1.068 629 HB1 ALA 79 HB1 ALA 79 -1.174 17.293 2.209 630 HB2 ALA 79 HB2 ALA 79 -1.158 18.915 2.910 631 HB3 ALA 79 HB3 ALA 79 0.336 17.975 2.825 632 H LEU 80 H LEU 80 -1.147 16.642 -0.041 633 HA LEU 80 HA LEU 80 1.139 15.163 -0.530 634 HB2 LEU 80 HB2 LEU 80 -1.584 15.011 -1.855 635 HB3 LEU 80 HB3 LEU 80 -0.378 13.730 -1.892 636 HG LEU 80 HG LEU 80 -1.584 14.777 0.700 637 HD11 LEU 80 HD11 LEU 80 -3.074 12.845 0.717 638 HD12 LEU 80 HD12 LEU 80 -2.519 12.376 -0.892 639 HD13 LEU 80 HD13 LEU 80 -3.401 13.889 -0.670 640 HD21 LEU 80 HD21 LEU 80 0.585 13.632 0.909 641 HD22 LEU 80 HD22 LEU 80 -0.079 12.210 0.099 642 HD23 LEU 80 HD23 LEU 80 -0.715 12.714 1.667 643 H ARG 81 H ARG 81 -0.516 17.468 -2.715 644 HA ARG 81 HA ARG 81 1.007 16.678 -5.051 645 HB2 ARG 81 HB2 ARG 81 -0.110 18.405 -6.258 646 HB3 ARG 81 HB3 ARG 81 -1.308 17.749 -5.156 647 HG2 ARG 81 HG2 ARG 81 -1.233 19.685 -3.760 648 HG3 ARG 81 HG3 ARG 81 0.257 20.256 -4.505 649 HD2 ARG 81 HD2 ARG 81 -1.117 20.465 -6.685 650 HD3 ARG 81 HD3 ARG 81 -2.542 20.306 -5.650 651 HE ARG 81 HE ARG 81 -1.428 22.271 -4.383 652 HH11 ARG 81 HH11 ARG 81 -1.321 21.920 -7.881 653 HH12 ARG 81 HH12 ARG 81 -1.206 23.626 -8.166 654 HH21 ARG 81 HH21 ARG 81 -1.295 24.496 -4.768 655 HH22 ARG 81 HH22 ARG 81 -1.194 25.085 -6.398 656 H ASP 82 H ASP 82 1.481 18.890 -2.438 657 HA ASP 82 HA ASP 82 3.403 20.617 -3.764 658 HB2 ASP 82 HB2 ASP 82 1.785 21.480 -2.088 659 HB3 ASP 82 HB3 ASP 82 2.503 20.459 -0.854 660 H LEU 83 H LEU 83 3.539 17.601 -2.162 661 HA LEU 83 HA LEU 83 6.047 17.666 -0.860 662 HB2 LEU 83 HB2 LEU 83 4.649 15.324 -2.211 663 HB3 LEU 83 HB3 LEU 83 5.974 15.185 -1.066 664 HG LEU 83 HG LEU 83 3.185 16.234 -0.434 665 HD11 LEU 83 HD11 LEU 83 3.177 13.820 -0.822 666 HD12 LEU 83 HD12 LEU 83 2.901 14.177 0.880 667 HD13 LEU 83 HD13 LEU 83 4.483 13.599 0.348 668 HD21 LEU 83 HD21 LEU 83 3.898 16.262 1.916 669 HD22 LEU 83 HD22 LEU 83 4.878 17.353 0.940 670 HD23 LEU 83 HD23 LEU 83 5.535 15.791 1.438 671 HA PRO 84 HA PRO 84 8.780 17.777 -4.520 672 HB2 PRO 84 HB2 PRO 84 11.055 17.043 -2.779 673 HB3 PRO 84 HB3 PRO 84 10.694 18.596 -3.537 674 HG2 PRO 84 HG2 PRO 84 10.525 18.229 -0.845 675 HG3 PRO 84 HG3 PRO 84 9.469 19.361 -1.717 676 HD2 PRO 84 HD2 PRO 84 8.862 16.538 -0.804 677 HD3 PRO 84 HD3 PRO 84 7.884 18.017 -0.631 678 H GLU 85 H GLU 85 7.432 15.608 -4.818 679 HA GLU 85 HA GLU 85 8.920 13.129 -4.385 680 HB2 GLU 85 HB2 GLU 85 6.063 13.710 -5.261 681 HB3 GLU 85 HB3 GLU 85 6.719 12.079 -5.129 682 HG2 GLU 85 HG2 GLU 85 6.689 14.019 -2.799 683 HG3 GLU 85 HG3 GLU 85 5.344 12.943 -3.154 684 H THR 86 H THR 86 9.031 15.361 -6.744 685 HA THR 86 HA THR 86 9.122 13.919 -9.160 686 HB THR 86 HB THR 86 10.930 15.661 -9.790 687 HG1 THR 86 HG1 THR 86 11.320 17.284 -8.252 688 HG21 THR 86 HG21 THR 86 8.350 16.765 -8.619 689 HG22 THR 86 HG22 THR 86 8.533 16.103 -10.247 690 HG23 THR 86 HG23 THR 86 9.389 17.577 -9.789 691 H VAL 87 H VAL 87 11.548 14.443 -6.637 692 HA VAL 87 HA VAL 87 13.342 12.352 -7.719 693 HB VAL 87 HB VAL 87 14.022 14.312 -5.474 694 HG11 VAL 87 HG11 VAL 87 16.357 13.938 -6.161 695 HG12 VAL 87 HG12 VAL 87 15.813 12.856 -7.445 696 HG13 VAL 87 HG13 VAL 87 15.558 12.413 -5.756 697 HG21 VAL 87 HG21 VAL 87 15.033 15.858 -7.106 698 HG22 VAL 87 HG22 VAL 87 13.293 15.702 -7.370 699 HG23 VAL 87 HG23 VAL 87 14.425 14.865 -8.436 700 H THR 88 H THR 88 10.754 12.239 -5.979 701 HA THR 88 HA THR 88 9.861 11.518 -4.046 702 HB THR 88 HB THR 88 10.510 9.162 -3.372 703 HG1 THR 88 HG1 THR 88 12.751 9.498 -4.257 704 HG21 THR 88 HG21 THR 88 9.673 8.116 -5.442 705 HG22 THR 88 HG22 THR 88 9.947 9.622 -6.323 706 HG23 THR 88 HG23 THR 88 8.742 9.558 -5.033 707 H ASP 89 H ASP 89 10.503 13.179 -2.743 708 HA ASP 89 HA ASP 89 12.939 13.281 -1.255 709 HB2 ASP 89 HB2 ASP 89 11.673 15.318 -1.793 710 HB3 ASP 89 HB3 ASP 89 10.273 14.735 -0.898 711 H LEU 90 H LEU 90 9.670 12.180 -0.571 712 HA LEU 90 HA LEU 90 10.160 11.675 2.229 713 HB2 LEU 90 HB2 LEU 90 7.769 11.135 0.428 714 HB3 LEU 90 HB3 LEU 90 7.835 10.609 2.099 715 HG LEU 90 HG LEU 90 8.115 13.060 2.755 716 HD11 LEU 90 HD11 LEU 90 7.264 13.600 -0.100 717 HD12 LEU 90 HD12 LEU 90 8.838 13.977 0.606 718 HD13 LEU 90 HD13 LEU 90 7.393 14.797 1.198 719 HD21 LEU 90 HD21 LEU 90 5.697 13.527 2.607 720 HD22 LEU 90 HD22 LEU 90 6.012 11.857 3.075 721 HD23 LEU 90 HD23 LEU 90 5.518 12.230 1.421 722 H SER 91 H SER 91 11.974 10.202 1.990 723 HA SER 91 HA SER 91 11.403 7.419 1.426 724 HB2 SER 91 HB2 SER 91 13.534 7.038 2.736 725 HB3 SER 91 HB3 SER 91 13.730 8.180 1.412 726 HG SER 91 HG SER 91 13.770 9.856 2.838 727 H GLN 92 H GLN 92 11.726 9.491 4.295 728 HA GLN 92 HA GLN 92 10.123 7.755 6.006 729 HB2 GLN 92 HB2 GLN 92 11.129 10.586 6.579 730 HB3 GLN 92 HB3 GLN 92 10.514 9.418 7.746 731 HG2 GLN 92 HG2 GLN 92 12.492 7.989 7.336 732 HG3 GLN 92 HG3 GLN 92 13.097 9.171 6.176 733 HE21 GLN 92 HE21 GLN 92 14.990 9.587 7.345 734 HE22 GLN 92 HE22 GLN 92 14.992 10.429 8.854 735 H ILE 93 H ILE 93 8.199 7.749 4.714 736 HA ILE 93 HA ILE 93 6.916 10.136 3.838 737 HB ILE 93 HB ILE 93 4.921 8.635 3.346 738 HG12 ILE 93 HG12 ILE 93 5.855 6.036 3.330 739 HG13 ILE 93 HG13 ILE 93 6.564 6.600 4.827 740 HG21 ILE 93 HG21 ILE 93 6.605 9.168 1.678 741 HG22 ILE 93 HG22 ILE 93 6.022 7.521 1.454 742 HG23 ILE 93 HG23 ILE 93 7.597 7.803 2.198 743 HD11 ILE 93 HD11 ILE 93 4.309 7.160 5.632 744 HD12 ILE 93 HD12 ILE 93 4.497 5.459 5.216 745 HD13 ILE 93 HD13 ILE 93 3.644 6.539 4.117 746 H VAL 94 H VAL 94 6.447 11.609 5.439 747 HA VAL 94 HA VAL 94 4.396 10.780 7.398 748 HB VAL 94 HB VAL 94 6.294 13.162 7.649 749 HG11 VAL 94 HG11 VAL 94 4.141 13.480 8.823 750 HG12 VAL 94 HG12 VAL 94 5.455 13.289 9.981 751 HG13 VAL 94 HG13 VAL 94 4.359 11.944 9.672 752 HG21 VAL 94 HG21 VAL 94 6.499 10.472 9.072 753 HG22 VAL 94 HG22 VAL 94 7.489 11.895 9.412 754 HG23 VAL 94 HG23 VAL 94 7.614 11.091 7.847 755 H TRP 95 H TRP 95 2.859 11.029 5.811 756 HA TRP 95 HA TRP 95 2.330 13.746 4.771 757 HB2 TRP 95 HB2 TRP 95 0.874 12.475 3.068 758 HB3 TRP 95 HB3 TRP 95 2.611 12.335 2.888 759 HD1 TRP 95 HD1 TRP 95 0.369 10.100 5.181 760 HE1 TRP 95 HE1 TRP 95 0.653 7.665 4.399 761 HE3 TRP 95 HE3 TRP 95 3.299 10.888 1.064 762 HZ2 TRP 95 HZ2 TRP 95 1.894 6.267 2.316 763 HZ3 TRP 95 HZ3 TRP 95 3.971 8.940 -0.281 764 HH2 TRP 95 HH2 TRP 95 3.281 6.678 0.333 765 HA PRO 96 HA PRO 96 -1.312 14.200 7.223 766 HB2 PRO 96 HB2 PRO 96 -3.340 14.862 5.429 767 HB3 PRO 96 HB3 PRO 96 -2.101 15.987 5.997 768 HG2 PRO 96 HG2 PRO 96 -2.149 14.345 3.460 769 HG3 PRO 96 HG3 PRO 96 -1.759 16.069 3.662 770 HD2 PRO 96 HD2 PRO 96 0.198 14.285 3.402 771 HD3 PRO 96 HD3 PRO 96 0.362 15.601 4.589 772 H GLN 97 H GLN 97 -2.797 12.943 8.153 773 HA GLN 97 HA GLN 97 -3.883 10.554 6.820 774 HB2 GLN 97 HB2 GLN 97 -3.038 10.227 9.107 775 HB3 GLN 97 HB3 GLN 97 -4.083 11.505 9.715 776 HG2 GLN 97 HG2 GLN 97 -4.959 9.276 10.274 777 HG3 GLN 97 HG3 GLN 97 -6.069 10.156 9.223 778 HE21 GLN 97 HE21 GLN 97 -7.090 8.370 8.377 779 HE22 GLN 97 HE22 GLN 97 -6.310 7.201 7.378 780 H LEU 98 H LEU 98 -6.075 10.320 6.350 781 HA LEU 98 HA LEU 98 -7.465 12.684 5.720 782 HB2 LEU 98 HB2 LEU 98 -9.367 11.096 5.069 783 HB3 LEU 98 HB3 LEU 98 -7.840 10.940 4.236 784 HG LEU 98 HG LEU 98 -7.368 8.951 5.825 785 HD11 LEU 98 HD11 LEU 98 -9.109 9.298 7.484 786 HD12 LEU 98 HD12 LEU 98 -9.322 7.742 6.684 787 HD13 LEU 98 HD13 LEU 98 -10.358 9.104 6.248 788 HD21 LEU 98 HD21 LEU 98 -8.565 7.378 4.359 789 HD22 LEU 98 HD22 LEU 98 -7.809 8.676 3.437 790 HD23 LEU 98 HD23 LEU 98 -9.551 8.705 3.734 791 HA PRO 99 HA PRO 99 -9.315 14.020 9.396 792 HB2 PRO 99 HB2 PRO 99 -11.706 15.139 8.533 793 HB3 PRO 99 HB3 PRO 99 -10.117 15.874 8.298 794 HG2 PRO 99 HG2 PRO 99 -11.723 14.190 6.372 795 HG3 PRO 99 HG3 PRO 99 -10.868 15.719 6.070 796 HD2 PRO 99 HD2 PRO 99 -9.776 13.379 5.357 797 HD3 PRO 99 HD3 PRO 99 -8.758 14.675 6.029 798 H VAL 100 H VAL 100 -11.120 11.670 7.600 799 HA VAL 100 HA VAL 100 -13.235 11.304 9.541 800 HB VAL 100 HB VAL 100 -12.489 9.681 7.060 801 HG11 VAL 100 HG11 VAL 100 -14.777 8.697 7.257 802 HG12 VAL 100 HG12 VAL 100 -15.002 9.525 8.798 803 HG13 VAL 100 HG13 VAL 100 -13.762 8.281 8.639 804 HG21 VAL 100 HG21 VAL 100 -14.401 10.861 5.996 805 HG22 VAL 100 HG22 VAL 100 -13.149 11.990 6.513 806 HG23 VAL 100 HG23 VAL 100 -14.626 11.821 7.466 Start of MODEL 8 1 H MET 1 H MET 1 6.544 -4.684 7.720 2 HA MET 1 HA MET 1 6.741 -3.835 5.527 3 HB2 MET 1 HB2 MET 1 8.150 -1.894 5.857 4 HB3 MET 1 HB3 MET 1 9.468 -2.877 6.484 5 HG2 MET 1 HG2 MET 1 8.510 -3.217 3.637 6 HG3 MET 1 HG3 MET 1 9.666 -1.955 4.073 7 HE1 MET 1 HE1 MET 1 11.087 -3.367 2.038 8 HE2 MET 1 HE2 MET 1 9.931 -4.700 2.047 9 HE3 MET 1 HE3 MET 1 11.648 -5.022 2.291 10 H LEU 2 H LEU 2 6.764 -5.643 4.404 11 HA LEU 2 HA LEU 2 8.946 -7.631 4.689 12 HB2 LEU 2 HB2 LEU 2 7.205 -9.305 3.866 13 HB3 LEU 2 HB3 LEU 2 6.961 -8.668 5.475 14 HG LEU 2 HG LEU 2 5.283 -7.002 4.329 15 HD11 LEU 2 HD11 LEU 2 5.782 -7.469 1.999 16 HD12 LEU 2 HD12 LEU 2 4.103 -7.848 2.368 17 HD13 LEU 2 HD13 LEU 2 5.281 -9.152 2.202 18 HD21 LEU 2 HD21 LEU 2 4.556 -9.927 4.654 19 HD22 LEU 2 HD22 LEU 2 3.421 -8.572 4.645 20 HD23 LEU 2 HD23 LEU 2 4.610 -8.714 5.938 21 H LEU 3 H LEU 3 9.707 -8.605 2.702 22 HA LEU 3 HA LEU 3 9.985 -7.037 0.455 23 HB2 LEU 3 HB2 LEU 3 10.037 -10.078 0.571 24 HB3 LEU 3 HB3 LEU 3 10.792 -9.087 -0.674 25 HG LEU 3 HG LEU 3 11.600 -9.109 2.262 26 HD11 LEU 3 HD11 LEU 3 12.119 -11.235 1.197 27 HD12 LEU 3 HD12 LEU 3 13.577 -10.328 1.590 28 HD13 LEU 3 HD13 LEU 3 13.004 -10.394 -0.079 29 HD21 LEU 3 HD21 LEU 3 12.915 -7.749 -0.110 30 HD22 LEU 3 HD22 LEU 3 13.560 -7.815 1.533 31 HD23 LEU 3 HD23 LEU 3 12.057 -6.956 1.214 32 H HIS 4 H HIS 4 9.121 -7.177 -1.661 33 HA HIS 4 HA HIS 4 6.197 -7.720 -1.691 34 HB2 HIS 4 HB2 HIS 4 6.899 -5.350 -2.052 35 HB3 HIS 4 HB3 HIS 4 7.875 -5.834 -3.428 36 HD1 HIS 4 HD1 HIS 4 6.729 -5.892 -5.663 37 HD2 HIS 4 HD2 HIS 4 4.050 -5.612 -2.502 38 HE1 HIS 4 HE1 HIS 4 4.482 -5.500 -6.715 39 HE2 HIS 4 HE2 HIS 4 2.929 -5.127 -4.770 40 H SER 5 H SER 5 9.238 -8.204 -3.374 41 HA SER 5 HA SER 5 8.387 -10.601 -4.688 42 HB2 SER 5 HB2 SER 5 7.360 -8.907 -6.216 43 HB3 SER 5 HB3 SER 5 8.929 -8.151 -6.442 44 HG SER 5 HG SER 5 9.598 -9.837 -7.626 45 H VAL 6 H VAL 6 10.178 -11.517 -3.725 46 HA VAL 6 HA VAL 6 12.867 -10.465 -4.359 47 HB VAL 6 HB VAL 6 12.458 -10.733 -1.955 48 HG11 VAL 6 HG11 VAL 6 11.949 -13.685 -2.448 49 HG12 VAL 6 HG12 VAL 6 10.744 -12.489 -1.974 50 HG13 VAL 6 HG13 VAL 6 12.051 -12.906 -0.864 51 HG21 VAL 6 HG21 VAL 6 14.433 -12.828 -2.948 52 HG22 VAL 6 HG22 VAL 6 14.442 -12.081 -1.348 53 HG23 VAL 6 HG23 VAL 6 14.758 -11.102 -2.780 54 H GLU 7 H GLU 7 13.979 -11.472 -5.927 55 HA GLU 7 HA GLU 7 13.125 -14.053 -6.961 56 HB2 GLU 7 HB2 GLU 7 15.315 -12.149 -7.907 57 HB3 GLU 7 HB3 GLU 7 14.852 -13.644 -8.724 58 HG2 GLU 7 HG2 GLU 7 12.550 -12.748 -9.003 59 HG3 GLU 7 HG3 GLU 7 13.075 -11.228 -8.275 60 H THR 8 H THR 8 13.585 -15.453 -5.394 61 HA THR 8 HA THR 8 16.149 -15.821 -4.130 62 HB THR 8 HB THR 8 15.126 -17.758 -3.062 63 HG1 THR 8 HG1 THR 8 12.837 -17.592 -4.717 64 HG21 THR 8 HG21 THR 8 14.225 -15.573 -2.279 65 HG22 THR 8 HG22 THR 8 13.040 -16.867 -2.132 66 HG23 THR 8 HG23 THR 8 12.914 -15.707 -3.454 67 HA PRO 9 HA PRO 9 18.295 -18.519 -7.104 68 HB2 PRO 9 HB2 PRO 9 18.384 -20.646 -4.956 69 HB3 PRO 9 HB3 PRO 9 19.683 -20.027 -5.990 70 HG2 PRO 9 HG2 PRO 9 19.525 -19.208 -3.463 71 HG3 PRO 9 HG3 PRO 9 19.910 -18.039 -4.744 72 HD2 PRO 9 HD2 PRO 9 17.308 -18.462 -3.280 73 HD3 PRO 9 HD3 PRO 9 18.074 -16.947 -3.812 74 H ARG 10 H ARG 10 15.523 -19.897 -5.413 75 HA ARG 10 HA ARG 10 15.126 -22.054 -7.370 76 HB2 ARG 10 HB2 ARG 10 13.202 -22.698 -5.865 77 HB3 ARG 10 HB3 ARG 10 14.777 -22.696 -5.080 78 HG2 ARG 10 HG2 ARG 10 14.229 -20.394 -4.176 79 HG3 ARG 10 HG3 ARG 10 12.591 -20.605 -4.797 80 HD2 ARG 10 HD2 ARG 10 13.871 -22.546 -2.855 81 HD3 ARG 10 HD3 ARG 10 12.977 -21.121 -2.330 82 HE ARG 10 HE ARG 10 11.323 -22.543 -4.066 83 HH11 ARG 10 HH11 ARG 10 12.819 -23.111 -0.932 84 HH12 ARG 10 HH12 ARG 10 11.484 -24.037 -0.330 85 HH21 ARG 10 HH21 ARG 10 9.585 -23.735 -3.260 86 HH22 ARG 10 HH22 ARG 10 9.646 -24.390 -1.655 87 H GLY 11 H GLY 11 14.153 -18.811 -7.003 88 HA2 GLY 11 HA2 GLY 11 12.996 -18.238 -9.299 89 HA3 GLY 11 HA3 GLY 11 11.647 -19.098 -8.560 90 H GLU 12 H GLU 12 10.708 -16.901 -9.047 91 HA GLU 12 HA GLU 12 11.418 -14.759 -7.169 92 HB2 GLU 12 HB2 GLU 12 10.949 -14.152 -9.510 93 HB3 GLU 12 HB3 GLU 12 9.338 -14.852 -9.402 94 HG2 GLU 12 HG2 GLU 12 8.627 -13.145 -7.848 95 HG3 GLU 12 HG3 GLU 12 10.274 -12.531 -7.692 96 H ILE 13 H ILE 13 10.095 -14.106 -5.460 97 HA ILE 13 HA ILE 13 7.832 -15.829 -4.695 98 HB ILE 13 HB ILE 13 10.192 -15.152 -2.848 99 HG12 ILE 13 HG12 ILE 13 10.827 -16.924 -4.463 100 HG13 ILE 13 HG13 ILE 13 10.719 -17.573 -2.832 101 HG21 ILE 13 HG21 ILE 13 9.064 -16.606 -1.184 102 HG22 ILE 13 HG22 ILE 13 7.696 -16.808 -2.280 103 HG23 ILE 13 HG23 ILE 13 8.068 -15.214 -1.617 104 HD11 ILE 13 HD11 ILE 13 8.554 -18.560 -3.369 105 HD12 ILE 13 HD12 ILE 13 9.818 -19.097 -4.475 106 HD13 ILE 13 HD13 ILE 13 8.652 -17.887 -4.999 107 H LEU 14 H LEU 14 6.186 -14.528 -4.270 108 HA LEU 14 HA LEU 14 6.527 -11.650 -3.942 109 HB2 LEU 14 HB2 LEU 14 3.993 -13.339 -4.102 110 HB3 LEU 14 HB3 LEU 14 4.066 -11.584 -4.193 111 HG LEU 14 HG LEU 14 5.268 -13.487 -6.256 112 HD11 LEU 14 HD11 LEU 14 2.831 -13.567 -6.276 113 HD12 LEU 14 HD12 LEU 14 3.443 -12.762 -7.719 114 HD13 LEU 14 HD13 LEU 14 2.743 -11.806 -6.405 115 HD21 LEU 14 HD21 LEU 14 5.031 -10.453 -6.321 116 HD22 LEU 14 HD22 LEU 14 5.618 -11.473 -7.638 117 HD23 LEU 14 HD23 LEU 14 6.523 -11.371 -6.129 118 H ASN 15 H ASN 15 5.600 -10.438 -2.276 119 HA ASN 15 HA ASN 15 5.456 -9.882 -0.077 120 HB2 ASN 15 HB2 ASN 15 3.138 -10.306 0.761 121 HB3 ASN 15 HB3 ASN 15 3.222 -9.690 -0.882 122 HD21 ASN 15 HD21 ASN 15 2.681 -11.078 -2.613 123 HD22 ASN 15 HD22 ASN 15 1.754 -12.514 -2.365 124 H VAL 16 H VAL 16 7.302 -11.084 0.693 125 HA VAL 16 HA VAL 16 6.531 -12.941 2.866 126 HB VAL 16 HB VAL 16 8.699 -14.231 2.557 127 HG11 VAL 16 HG11 VAL 16 6.691 -14.465 0.294 128 HG12 VAL 16 HG12 VAL 16 6.566 -15.223 1.882 129 HG13 VAL 16 HG13 VAL 16 7.848 -15.713 0.772 130 HG21 VAL 16 HG21 VAL 16 9.818 -14.176 0.343 131 HG22 VAL 16 HG22 VAL 16 9.916 -12.613 1.153 132 HG23 VAL 16 HG23 VAL 16 8.759 -12.851 -0.158 133 H SER 17 H SER 17 7.896 -12.922 4.663 134 HA SER 17 HA SER 17 9.226 -10.445 5.286 135 HB2 SER 17 HB2 SER 17 7.909 -11.850 6.937 136 HB3 SER 17 HB3 SER 17 9.174 -13.078 6.847 137 HG SER 17 HG SER 17 9.214 -10.515 8.005 138 H GLU 18 H GLU 18 11.390 -10.081 5.402 139 HA GLU 18 HA GLU 18 13.242 -11.300 3.742 140 HB2 GLU 18 HB2 GLU 18 13.950 -9.789 6.296 141 HB3 GLU 18 HB3 GLU 18 15.057 -10.135 4.977 142 HG2 GLU 18 HG2 GLU 18 14.460 -7.853 4.772 143 HG3 GLU 18 HG3 GLU 18 13.591 -8.703 3.495 144 H GLN 19 H GLN 19 12.606 -12.015 7.129 145 HA GLN 19 HA GLN 19 14.743 -13.810 7.616 146 HB2 GLN 19 HB2 GLN 19 13.395 -14.497 9.620 147 HB3 GLN 19 HB3 GLN 19 13.633 -12.760 9.479 148 HG2 GLN 19 HG2 GLN 19 11.318 -12.555 8.548 149 HG3 GLN 19 HG3 GLN 19 11.094 -14.284 8.803 150 HE21 GLN 19 HE21 GLN 19 9.319 -13.841 10.145 151 HE22 GLN 19 HE22 GLN 19 9.519 -13.265 11.761 152 H GLU 20 H GLU 20 11.375 -14.367 6.554 153 HA GLU 20 HA GLU 20 11.517 -17.233 6.600 154 HB2 GLU 20 HB2 GLU 20 9.327 -16.134 6.738 155 HB3 GLU 20 HB3 GLU 20 9.556 -15.378 5.164 156 HG2 GLU 20 HG2 GLU 20 9.551 -17.627 4.099 157 HG3 GLU 20 HG3 GLU 20 9.297 -18.361 5.678 158 H ALA 21 H ALA 21 11.508 -14.874 3.936 159 HA ALA 21 HA ALA 21 12.102 -16.278 1.753 160 HB1 ALA 21 HB1 ALA 21 13.296 -14.318 0.876 161 HB2 ALA 21 HB2 ALA 21 13.483 -13.690 2.517 162 HB3 ALA 21 HB3 ALA 21 11.874 -13.832 1.804 163 H ARG 22 H ARG 22 14.680 -15.257 4.080 164 HA ARG 22 HA ARG 22 16.768 -16.626 2.639 165 HB2 ARG 22 HB2 ARG 22 16.728 -15.492 5.466 166 HB3 ARG 22 HB3 ARG 22 18.164 -16.156 4.683 167 HG2 ARG 22 HG2 ARG 22 17.951 -14.426 2.899 168 HG3 ARG 22 HG3 ARG 22 16.577 -13.736 3.769 169 HD2 ARG 22 HD2 ARG 22 19.438 -13.927 4.781 170 HD3 ARG 22 HD3 ARG 22 18.622 -12.469 4.214 171 HE ARG 22 HE ARG 22 17.042 -12.823 6.142 172 HH11 ARG 22 HH11 ARG 22 20.322 -14.054 6.327 173 HH12 ARG 22 HH12 ARG 22 20.392 -13.953 8.056 174 HH21 ARG 22 HH21 ARG 22 17.140 -12.704 8.404 175 HH22 ARG 22 HH22 ARG 22 18.593 -13.180 9.226 176 H ASP 23 H ASP 23 14.524 -17.601 5.170 177 HA ASP 23 HA ASP 23 16.177 -19.756 6.212 178 HB2 ASP 23 HB2 ASP 23 14.665 -18.503 7.716 179 HB3 ASP 23 HB3 ASP 23 13.270 -18.980 6.756 180 H VAL 24 H VAL 24 12.914 -19.682 4.738 181 HA VAL 24 HA VAL 24 12.890 -22.490 4.161 182 HB VAL 24 HB VAL 24 10.883 -20.324 3.359 183 HG11 VAL 24 HG11 VAL 24 9.230 -22.174 3.251 184 HG12 VAL 24 HG12 VAL 24 10.512 -23.340 3.590 185 HG13 VAL 24 HG13 VAL 24 10.546 -22.400 2.094 186 HG21 VAL 24 HG21 VAL 24 10.902 -22.005 5.900 187 HG22 VAL 24 HG22 VAL 24 9.621 -20.894 5.406 188 HG23 VAL 24 HG23 VAL 24 11.226 -20.271 5.793 189 H PHE 25 H PHE 25 12.854 -19.482 2.243 190 HA PHE 25 HA PHE 25 12.843 -20.944 -0.296 191 HB2 PHE 25 HB2 PHE 25 12.707 -17.940 0.235 192 HB3 PHE 25 HB3 PHE 25 12.461 -18.722 -1.326 193 HD1 PHE 25 HD1 PHE 25 10.498 -20.361 -1.582 194 HD2 PHE 25 HD2 PHE 25 10.857 -17.694 1.751 195 HE1 PHE 25 HE1 PHE 25 8.103 -20.640 -1.086 196 HE2 PHE 25 HE2 PHE 25 8.465 -17.990 2.237 197 HZ PHE 25 HZ PHE 25 7.088 -19.456 0.819 198 H GLY 26 H GLY 26 15.223 -19.889 1.775 199 HA2 GLY 26 HA2 GLY 26 17.495 -19.760 1.619 200 HA3 GLY 26 HA3 GLY 26 17.334 -20.681 0.130 201 H ALA 27 H ALA 27 16.083 -17.457 0.772 202 HA ALA 27 HA ALA 27 16.796 -16.452 -1.757 203 HB1 ALA 27 HB1 ALA 27 15.949 -14.298 -0.942 204 HB2 ALA 27 HB2 ALA 27 15.951 -14.898 0.717 205 HB3 ALA 27 HB3 ALA 27 14.865 -15.608 -0.477 206 H SER 28 H SER 28 18.519 -15.395 -2.467 207 HA SER 28 HA SER 28 20.962 -15.130 -1.131 208 HB2 SER 28 HB2 SER 28 20.041 -13.453 -3.504 209 HB3 SER 28 HB3 SER 28 21.693 -13.940 -3.100 210 HG SER 28 HG SER 28 21.360 -15.759 -4.080 211 H GLU 29 H GLU 29 21.933 -13.385 -0.040 212 HA GLU 29 HA GLU 29 20.145 -11.554 1.280 213 HB2 GLU 29 HB2 GLU 29 23.186 -11.676 1.311 214 HB3 GLU 29 HB3 GLU 29 22.178 -10.781 2.448 215 HG2 GLU 29 HG2 GLU 29 21.156 -12.926 3.184 216 HG3 GLU 29 HG3 GLU 29 22.239 -13.797 2.101 217 H GLN 30 H GLN 30 22.340 -11.337 -1.460 218 HA GLN 30 HA GLN 30 22.271 -8.581 -2.023 219 HB2 GLN 30 HB2 GLN 30 22.240 -10.955 -3.946 220 HB3 GLN 30 HB3 GLN 30 22.558 -9.296 -4.435 221 HG2 GLN 30 HG2 GLN 30 24.298 -10.974 -2.594 222 HG3 GLN 30 HG3 GLN 30 24.632 -10.598 -4.283 223 HE21 GLN 30 HE21 GLN 30 26.331 -10.029 -2.011 224 HE22 GLN 30 HE22 GLN 30 26.526 -8.312 -1.954 225 H ALA 31 H ALA 31 19.934 -11.160 -2.648 226 HA ALA 31 HA ALA 31 18.165 -9.610 -4.307 227 HB1 ALA 31 HB1 ALA 31 18.308 -12.064 -4.544 228 HB2 ALA 31 HB2 ALA 31 16.661 -11.558 -4.165 229 HB3 ALA 31 HB3 ALA 31 17.675 -12.269 -2.907 230 H ILE 32 H ILE 32 17.646 -11.045 -1.010 231 HA ILE 32 HA ILE 32 15.798 -9.593 0.139 232 HB ILE 32 HB ILE 32 18.522 -9.956 1.470 233 HG12 ILE 32 HG12 ILE 32 17.650 -12.093 0.589 234 HG13 ILE 32 HG13 ILE 32 17.644 -12.091 2.345 235 HG21 ILE 32 HG21 ILE 32 17.278 -9.967 3.633 236 HG22 ILE 32 HG22 ILE 32 15.789 -9.561 2.773 237 HG23 ILE 32 HG23 ILE 32 17.137 -8.421 2.793 238 HD11 ILE 32 HD11 ILE 32 15.276 -11.707 0.541 239 HD12 ILE 32 HD12 ILE 32 15.232 -11.641 2.306 240 HD13 ILE 32 HD13 ILE 32 15.673 -13.140 1.487 241 H ALA 33 H ALA 33 18.919 -8.174 -0.705 242 HA ALA 33 HA ALA 33 18.490 -5.751 0.855 243 HB1 ALA 33 HB1 ALA 33 20.629 -6.361 -1.221 244 HB2 ALA 33 HB2 ALA 33 20.791 -6.569 0.524 245 HB3 ALA 33 HB3 ALA 33 20.599 -4.952 -0.159 246 H ASP 34 H ASP 34 18.878 -6.490 -2.600 247 HA ASP 34 HA ASP 34 17.997 -4.173 -3.785 248 HB2 ASP 34 HB2 ASP 34 19.008 -6.089 -5.018 249 HB3 ASP 34 HB3 ASP 34 17.514 -6.991 -4.829 250 H ALA 35 H ALA 35 16.019 -6.916 -2.826 251 HA ALA 35 HA ALA 35 13.567 -5.946 -3.927 252 HB1 ALA 35 HB1 ALA 35 13.952 -8.371 -3.735 253 HB2 ALA 35 HB2 ALA 35 12.508 -7.894 -2.841 254 HB3 ALA 35 HB3 ALA 35 14.006 -8.238 -1.974 255 H ARG 36 H ARG 36 15.104 -5.827 -0.742 256 HA ARG 36 HA ARG 36 12.865 -4.703 0.630 257 HB2 ARG 36 HB2 ARG 36 14.740 -5.697 1.871 258 HB3 ARG 36 HB3 ARG 36 15.827 -4.450 1.281 259 HG2 ARG 36 HG2 ARG 36 14.971 -2.815 2.700 260 HG3 ARG 36 HG3 ARG 36 13.388 -3.581 2.810 261 HD2 ARG 36 HD2 ARG 36 14.637 -3.705 4.940 262 HD3 ARG 36 HD3 ARG 36 14.281 -5.307 4.284 263 HE ARG 36 HE ARG 36 16.861 -4.415 3.466 264 HH11 ARG 36 HH11 ARG 36 15.159 -5.749 6.232 265 HH12 ARG 36 HH12 ARG 36 16.583 -6.429 6.946 266 HH21 ARG 36 HH21 ARG 36 18.737 -5.323 4.404 267 HH22 ARG 36 HH22 ARG 36 18.621 -6.148 5.922 268 H LYS 37 H LYS 37 15.753 -3.247 -0.879 269 HA LYS 37 HA LYS 37 15.044 -0.569 -0.757 270 HB2 LYS 37 HB2 LYS 37 17.268 -1.346 -1.470 271 HB3 LYS 37 HB3 LYS 37 16.586 -2.050 -2.933 272 HG2 LYS 37 HG2 LYS 37 15.963 0.215 -3.729 273 HG3 LYS 37 HG3 LYS 37 16.629 0.908 -2.258 274 HD2 LYS 37 HD2 LYS 37 18.337 1.247 -3.824 275 HD3 LYS 37 HD3 LYS 37 18.872 -0.208 -2.987 276 HE2 LYS 37 HE2 LYS 37 17.413 -0.172 -5.655 277 HE3 LYS 37 HE3 LYS 37 19.160 -0.312 -5.470 278 HZ1 LYS 37 HZ1 LYS 37 17.132 -2.249 -4.514 279 HZ2 LYS 37 HZ2 LYS 37 18.799 -2.398 -4.289 280 HZ3 LYS 37 HZ3 LYS 37 18.152 -2.442 -5.847 281 H ALA 38 H ALA 38 13.856 -3.092 -2.930 282 HA ALA 38 HA ALA 38 12.835 -1.281 -4.930 283 HB1 ALA 38 HB1 ALA 38 11.969 -3.326 -6.027 284 HB2 ALA 38 HB2 ALA 38 12.439 -4.293 -4.626 285 HB3 ALA 38 HB3 ALA 38 13.675 -3.504 -5.608 286 H THR 39 H THR 39 11.579 -3.344 -2.332 287 HA THR 39 HA THR 39 8.808 -2.918 -2.711 288 HB THR 39 HB THR 39 10.271 -3.595 -0.107 289 HG1 THR 39 HG1 THR 39 10.249 -5.040 -2.140 290 HG21 THR 39 HG21 THR 39 7.983 -2.781 0.353 291 HG22 THR 39 HG22 THR 39 8.108 -4.513 0.650 292 HG23 THR 39 HG23 THR 39 7.330 -3.932 -0.822 293 H ILE 40 H ILE 40 11.218 -1.363 -0.570 294 HA ILE 40 HA ILE 40 9.565 0.590 0.586 295 HB ILE 40 HB ILE 40 12.579 0.529 0.093 296 HG12 ILE 40 HG12 ILE 40 11.647 -1.099 1.753 297 HG13 ILE 40 HG13 ILE 40 12.727 0.063 2.513 298 HG21 ILE 40 HG21 ILE 40 11.062 2.675 1.631 299 HG22 ILE 40 HG22 ILE 40 11.992 2.902 0.148 300 HG23 ILE 40 HG23 ILE 40 12.816 2.462 1.641 301 HD11 ILE 40 HD11 ILE 40 10.784 -0.382 3.878 302 HD12 ILE 40 HD12 ILE 40 9.715 0.142 2.579 303 HD13 ILE 40 HD13 ILE 40 10.798 1.302 3.357 304 H LEU 41 H LEU 41 11.841 0.969 -2.158 305 HA LEU 41 HA LEU 41 11.248 3.597 -2.853 306 HB2 LEU 41 HB2 LEU 41 13.224 2.796 -3.766 307 HB3 LEU 41 HB3 LEU 41 12.538 1.272 -4.260 308 HG LEU 41 HG LEU 41 11.645 3.704 -5.801 309 HD11 LEU 41 HD11 LEU 41 14.412 2.501 -6.206 310 HD12 LEU 41 HD12 LEU 41 14.071 4.113 -5.577 311 HD13 LEU 41 HD13 LEU 41 13.639 3.712 -7.237 312 HD21 LEU 41 HD21 LEU 41 12.362 0.853 -6.610 313 HD22 LEU 41 HD22 LEU 41 11.755 2.106 -7.707 314 HD23 LEU 41 HD23 LEU 41 10.735 1.518 -6.395 315 H GLN 42 H GLN 42 9.522 0.665 -3.726 316 HA GLN 42 HA GLN 42 7.952 1.829 -5.860 317 HB2 GLN 42 HB2 GLN 42 8.540 -0.597 -5.824 318 HB3 GLN 42 HB3 GLN 42 7.637 -0.796 -4.326 319 HG2 GLN 42 HG2 GLN 42 5.563 -0.107 -5.568 320 HG3 GLN 42 HG3 GLN 42 6.513 -0.107 -7.057 321 HE21 GLN 42 HE21 GLN 42 5.265 -1.721 -7.992 322 HE22 GLN 42 HE22 GLN 42 5.301 -3.366 -7.468 323 H THR 43 H THR 43 7.502 0.808 -2.518 324 HA THR 43 HA THR 43 4.722 1.308 -2.301 325 HB THR 43 HB THR 43 6.844 0.833 -0.162 326 HG1 THR 43 HG1 THR 43 6.240 -0.885 -1.692 327 HG21 THR 43 HG21 THR 43 4.972 2.030 0.921 328 HG22 THR 43 HG22 THR 43 4.980 0.338 1.417 329 HG23 THR 43 HG23 THR 43 3.814 0.896 0.215 330 H LEU 44 H LEU 44 7.609 3.295 -1.534 331 HA LEU 44 HA LEU 44 6.265 5.223 0.050 332 HB2 LEU 44 HB2 LEU 44 8.748 5.742 -1.617 333 HB3 LEU 44 HB3 LEU 44 8.182 6.688 -0.253 334 HG LEU 44 HG LEU 44 9.590 4.024 -0.277 335 HD11 LEU 44 HD11 LEU 44 11.066 5.050 1.354 336 HD12 LEU 44 HD12 LEU 44 10.111 6.535 1.311 337 HD13 LEU 44 HD13 LEU 44 10.969 5.991 -0.132 338 HD21 LEU 44 HD21 LEU 44 9.144 3.634 2.095 339 HD22 LEU 44 HD22 LEU 44 7.659 3.577 1.148 340 HD23 LEU 44 HD23 LEU 44 8.022 4.999 2.127 341 H ARG 45 H ARG 45 6.568 4.799 -3.395 342 HA ARG 45 HA ARG 45 5.443 7.374 -4.117 343 HB2 ARG 45 HB2 ARG 45 7.054 6.121 -5.602 344 HB3 ARG 45 HB3 ARG 45 5.819 4.889 -5.834 345 HG2 ARG 45 HG2 ARG 45 4.314 6.711 -6.780 346 HG3 ARG 45 HG3 ARG 45 5.710 7.789 -6.726 347 HD2 ARG 45 HD2 ARG 45 5.421 6.875 -8.976 348 HD3 ARG 45 HD3 ARG 45 6.920 6.272 -8.264 349 HE ARG 45 HE ARG 45 6.073 4.154 -8.283 350 HH11 ARG 45 HH11 ARG 45 3.366 6.319 -8.889 351 HH12 ARG 45 HH12 ARG 45 2.288 5.029 -9.313 352 HH21 ARG 45 HH21 ARG 45 4.629 2.487 -8.835 353 HH22 ARG 45 HH22 ARG 45 2.999 2.875 -9.284 354 H ILE 46 H ILE 46 4.384 3.947 -4.299 355 HA ILE 46 HA ILE 46 1.805 4.380 -5.340 356 HB ILE 46 HB ILE 46 2.990 2.035 -3.802 357 HG12 ILE 46 HG12 ILE 46 2.392 2.505 -6.752 358 HG13 ILE 46 HG13 ILE 46 3.980 2.384 -6.002 359 HG21 ILE 46 HG21 ILE 46 1.060 0.642 -4.479 360 HG22 ILE 46 HG22 ILE 46 0.252 2.069 -5.125 361 HG23 ILE 46 HG23 ILE 46 0.579 1.946 -3.397 362 HD11 ILE 46 HD11 ILE 46 3.458 0.381 -7.229 363 HD12 ILE 46 HD12 ILE 46 1.967 0.161 -6.324 364 HD13 ILE 46 HD13 ILE 46 3.525 0.001 -5.509 365 H GLU 47 H GLU 47 2.944 4.308 -2.056 366 HA GLU 47 HA GLU 47 0.667 3.771 -0.535 367 HB2 GLU 47 HB2 GLU 47 3.353 4.326 0.041 368 HB3 GLU 47 HB3 GLU 47 2.562 5.718 0.729 369 HG2 GLU 47 HG2 GLU 47 2.151 2.817 1.433 370 HG3 GLU 47 HG3 GLU 47 2.911 4.047 2.426 371 H ARG 48 H ARG 48 2.124 6.891 -1.420 372 HA ARG 48 HA ARG 48 0.158 8.494 -0.172 373 HB2 ARG 48 HB2 ARG 48 1.146 10.407 -1.261 374 HB3 ARG 48 HB3 ARG 48 2.418 9.358 -0.666 375 HG2 ARG 48 HG2 ARG 48 2.859 8.566 -2.951 376 HG3 ARG 48 HG3 ARG 48 1.524 9.548 -3.562 377 HD2 ARG 48 HD2 ARG 48 3.628 10.694 -3.990 378 HD3 ARG 48 HD3 ARG 48 2.709 11.602 -2.785 379 HE ARG 48 HE ARG 48 4.574 9.767 -1.604 380 HH11 ARG 48 HH11 ARG 48 4.350 12.974 -3.035 381 HH12 ARG 48 HH12 ARG 48 5.784 13.556 -2.257 382 HH21 ARG 48 HH21 ARG 48 6.418 10.560 -0.543 383 HH22 ARG 48 HH22 ARG 48 6.962 12.178 -0.846 384 H ASP 49 H ASP 49 0.477 7.258 -3.505 385 HA ASP 49 HA ASP 49 -1.608 8.773 -4.693 386 HB2 ASP 49 HB2 ASP 49 -0.658 5.975 -5.454 387 HB3 ASP 49 HB3 ASP 49 -1.619 7.042 -6.477 388 H GLU 50 H GLU 50 -1.576 5.640 -3.022 389 HA GLU 50 HA GLU 50 -4.325 5.014 -3.394 390 HB2 GLU 50 HB2 GLU 50 -2.350 4.010 -1.308 391 HB3 GLU 50 HB3 GLU 50 -3.955 3.328 -1.571 392 HG2 GLU 50 HG2 GLU 50 -1.621 3.321 -3.510 393 HG3 GLU 50 HG3 GLU 50 -2.291 1.931 -2.664 394 H ARG 51 H ARG 51 -2.610 6.972 -1.033 395 HA ARG 51 HA ARG 51 -4.894 7.309 0.714 396 HB2 ARG 51 HB2 ARG 51 -2.330 8.942 0.517 397 HB3 ARG 51 HB3 ARG 51 -3.542 9.090 1.793 398 HG2 ARG 51 HG2 ARG 51 -3.077 6.645 2.348 399 HG3 ARG 51 HG3 ARG 51 -1.704 6.748 1.241 400 HD2 ARG 51 HD2 ARG 51 -0.927 7.088 3.501 401 HD3 ARG 51 HD3 ARG 51 -0.792 8.614 2.625 402 HE ARG 51 HE ARG 51 -2.795 9.382 3.782 403 HH11 ARG 51 HH11 ARG 51 -1.312 6.494 5.157 404 HH12 ARG 51 HH12 ARG 51 -1.985 6.756 6.732 405 HH21 ARG 51 HH21 ARG 51 -3.697 9.675 5.866 406 HH22 ARG 51 HH22 ARG 51 -3.318 8.565 7.144 407 H LEU 52 H LEU 52 -3.539 8.981 -2.092 408 HA LEU 52 HA LEU 52 -5.015 11.423 -1.775 409 HB2 LEU 52 HB2 LEU 52 -3.517 10.320 -4.188 410 HB3 LEU 52 HB3 LEU 52 -4.251 11.915 -4.139 411 HG LEU 52 HG LEU 52 -1.918 10.950 -2.448 412 HD11 LEU 52 HD11 LEU 52 -1.301 11.471 -4.746 413 HD12 LEU 52 HD12 LEU 52 -0.595 12.617 -3.611 414 HD13 LEU 52 HD13 LEU 52 -1.994 13.086 -4.585 415 HD21 LEU 52 HD21 LEU 52 -3.305 13.630 -2.308 416 HD22 LEU 52 HD22 LEU 52 -1.803 13.198 -1.486 417 HD23 LEU 52 HD23 LEU 52 -3.303 12.376 -1.068 418 H ARG 53 H ARG 53 -5.540 8.401 -3.560 419 HA ARG 53 HA ARG 53 -8.040 9.261 -4.736 420 HB2 ARG 53 HB2 ARG 53 -8.362 6.901 -5.373 421 HB3 ARG 53 HB3 ARG 53 -6.751 7.463 -5.808 422 HG2 ARG 53 HG2 ARG 53 -5.845 6.332 -3.783 423 HG3 ARG 53 HG3 ARG 53 -7.457 5.709 -3.430 424 HD2 ARG 53 HD2 ARG 53 -5.883 5.119 -5.957 425 HD3 ARG 53 HD3 ARG 53 -5.965 4.056 -4.548 426 HE ARG 53 HE ARG 53 -8.504 4.811 -5.762 427 HH11 ARG 53 HH11 ARG 53 -6.003 2.344 -5.494 428 HH12 ARG 53 HH12 ARG 53 -7.018 1.093 -6.143 429 HH21 ARG 53 HH21 ARG 53 -9.789 3.187 -6.638 430 HH22 ARG 53 HH22 ARG 53 -9.169 1.573 -6.797 431 H ALA 54 H ALA 54 -7.036 7.626 -1.737 432 HA ALA 54 HA ALA 54 -9.702 7.058 -0.774 433 HB1 ALA 54 HB1 ALA 54 -8.603 6.505 1.356 434 HB2 ALA 54 HB2 ALA 54 -7.086 7.195 0.767 435 HB3 ALA 54 HB3 ALA 54 -7.756 5.755 -0.003 436 H CYS 55 H CYS 55 -8.098 9.971 -1.152 437 HA CYS 55 HA CYS 55 -10.032 11.309 0.653 438 HB2 CYS 55 HB2 CYS 55 -8.424 13.189 0.834 439 HB3 CYS 55 HB3 CYS 55 -7.717 11.691 1.432 440 HG CYS 55 HG CYS 55 -7.108 12.705 -1.754 441 H ASP 56 H ASP 56 -9.677 10.454 -2.424 442 HA ASP 56 HA ASP 56 -10.475 12.998 -3.688 443 HB2 ASP 56 HB2 ASP 56 -8.692 11.671 -4.779 444 HB3 ASP 56 HB3 ASP 56 -9.773 10.289 -4.903 445 H TRP 57 H TRP 57 -11.801 10.044 -2.476 446 HA TRP 57 HA TRP 57 -14.198 9.883 -3.967 447 HB2 TRP 57 HB2 TRP 57 -15.073 8.435 -2.245 448 HB3 TRP 57 HB3 TRP 57 -13.362 8.070 -2.413 449 HD1 TRP 57 HD1 TRP 57 -11.768 8.730 -0.317 450 HE1 TRP 57 HE1 TRP 57 -12.272 9.201 2.158 451 HE3 TRP 57 HE3 TRP 57 -16.820 9.468 -0.625 452 HZ2 TRP 57 HZ2 TRP 57 -14.501 9.790 3.783 453 HZ3 TRP 57 HZ3 TRP 57 -18.062 10.009 1.430 454 HH2 TRP 57 HH2 TRP 57 -16.929 10.177 3.595 455 H THR 58 H THR 58 -13.172 11.990 -1.417 456 HA THR 58 HA THR 58 -15.767 13.107 -0.792 457 HB THR 58 HB THR 58 -14.361 14.765 0.508 458 HG1 THR 58 HG1 THR 58 -12.039 13.627 0.547 459 HG21 THR 58 HG21 THR 58 -13.579 13.184 2.185 460 HG22 THR 58 HG22 THR 58 -13.670 11.863 1.023 461 HG23 THR 58 HG23 THR 58 -15.148 12.666 1.565 462 H GLN 59 H GLN 59 -13.250 13.678 -3.101 463 HA GLN 59 HA GLN 59 -13.817 16.493 -3.543 464 HB2 GLN 59 HB2 GLN 59 -11.920 14.612 -5.013 465 HB3 GLN 59 HB3 GLN 59 -11.957 16.367 -5.164 466 HG2 GLN 59 HG2 GLN 59 -11.195 14.774 -2.698 467 HG3 GLN 59 HG3 GLN 59 -10.110 15.700 -3.733 468 HE21 GLN 59 HE21 GLN 59 -12.384 15.839 -1.126 469 HE22 GLN 59 HE22 GLN 59 -12.181 17.515 -0.760 470 H VAL 60 H VAL 60 -14.711 13.446 -4.995 471 HA VAL 60 HA VAL 60 -15.712 14.498 -7.467 472 HB VAL 60 HB VAL 60 -15.140 12.071 -7.086 473 HG11 VAL 60 HG11 VAL 60 -16.776 10.548 -6.033 474 HG12 VAL 60 HG12 VAL 60 -17.758 11.933 -5.549 475 HG13 VAL 60 HG13 VAL 60 -16.143 11.722 -4.875 476 HG21 VAL 60 HG21 VAL 60 -16.448 12.739 -9.056 477 HG22 VAL 60 HG22 VAL 60 -17.947 12.569 -8.140 478 HG23 VAL 60 HG23 VAL 60 -16.960 11.146 -8.485 479 H GLN 61 H GLN 61 -17.905 14.968 -8.049 480 HA GLN 61 HA GLN 61 -19.441 16.248 -5.971 481 HB2 GLN 61 HB2 GLN 61 -20.927 17.007 -7.763 482 HB3 GLN 61 HB3 GLN 61 -19.243 17.257 -8.207 483 HG2 GLN 61 HG2 GLN 61 -19.297 15.316 -9.693 484 HG3 GLN 61 HG3 GLN 61 -20.952 14.949 -9.202 485 HE21 GLN 61 HE21 GLN 61 -22.646 16.336 -9.916 486 HE22 GLN 61 HE22 GLN 61 -22.428 17.378 -11.276 487 H ASP 62 H ASP 62 -19.368 13.069 -7.083 488 HA ASP 62 HA ASP 62 -22.005 12.165 -6.971 489 HB2 ASP 62 HB2 ASP 62 -20.150 10.740 -7.749 490 HB3 ASP 62 HB3 ASP 62 -19.438 10.734 -6.137 491 H VAL 63 H VAL 63 -19.620 12.574 -4.372 492 HA VAL 63 HA VAL 63 -21.490 11.861 -2.267 493 HB VAL 63 HB VAL 63 -19.058 11.264 -2.109 494 HG11 VAL 63 HG11 VAL 63 -18.060 13.270 -3.128 495 HG12 VAL 63 HG12 VAL 63 -17.389 12.991 -1.523 496 HG13 VAL 63 HG13 VAL 63 -18.596 14.253 -1.763 497 HG21 VAL 63 HG21 VAL 63 -20.439 11.377 -0.075 498 HG22 VAL 63 HG22 VAL 63 -20.044 13.090 0.110 499 HG23 VAL 63 HG23 VAL 63 -18.775 11.870 0.268 500 H VAL 64 H VAL 64 -22.440 13.284 -0.851 501 HA VAL 64 HA VAL 64 -22.395 16.170 -1.465 502 HB VAL 64 HB VAL 64 -24.540 14.644 0.089 503 HG11 VAL 64 HG11 VAL 64 -25.911 16.703 -0.255 504 HG12 VAL 64 HG12 VAL 64 -24.541 17.470 -1.059 505 HG13 VAL 64 HG13 VAL 64 -24.434 17.046 0.650 506 HG21 VAL 64 HG21 VAL 64 -25.960 14.802 -1.953 507 HG22 VAL 64 HG22 VAL 64 -24.521 13.817 -2.231 508 HG23 VAL 64 HG23 VAL 64 -24.593 15.469 -2.845 509 H LEU 65 H LEU 65 -20.897 17.033 -0.185 510 HA LEU 65 HA LEU 65 -20.985 16.597 2.748 511 HB2 LEU 65 HB2 LEU 65 -18.512 16.999 1.009 512 HB3 LEU 65 HB3 LEU 65 -18.493 16.987 2.764 513 HG LEU 65 HG LEU 65 -19.325 14.588 1.082 514 HD11 LEU 65 HD11 LEU 65 -17.121 13.642 1.509 515 HD12 LEU 65 HD12 LEU 65 -16.613 15.124 2.330 516 HD13 LEU 65 HD13 LEU 65 -16.990 15.148 0.602 517 HD21 LEU 65 HD21 LEU 65 -18.631 14.837 4.029 518 HD22 LEU 65 HD22 LEU 65 -18.953 13.317 3.182 519 HD23 LEU 65 HD23 LEU 65 -20.232 14.523 3.343 520 H THR 66 H THR 66 -20.033 18.515 3.926 521 HA THR 66 HA THR 66 -21.060 21.004 2.909 522 HB THR 66 HB THR 66 -20.065 22.002 4.981 523 HG1 THR 66 HG1 THR 66 -19.283 20.078 6.436 524 HG21 THR 66 HG21 THR 66 -21.410 20.755 6.641 525 HG22 THR 66 HG22 THR 66 -21.584 19.413 5.508 526 HG23 THR 66 HG23 THR 66 -22.320 20.981 5.146 527 H ALA 67 H ALA 67 -19.736 22.975 2.665 528 HA ALA 67 HA ALA 67 -17.575 22.769 0.888 529 HB1 ALA 67 HB1 ALA 67 -18.313 25.090 2.709 530 HB2 ALA 67 HB2 ALA 67 -18.962 24.793 1.093 531 HB3 ALA 67 HB3 ALA 67 -17.255 25.194 1.300 532 H ASP 68 H ASP 68 -17.649 23.391 4.379 533 HA ASP 68 HA ASP 68 -15.020 23.465 5.122 534 HB2 ASP 68 HB2 ASP 68 -16.846 23.694 6.748 535 HB3 ASP 68 HB3 ASP 68 -17.264 21.997 6.557 536 H GLN 69 H GLN 69 -16.916 20.453 4.838 537 HA GLN 69 HA GLN 69 -14.847 18.628 5.487 538 HB2 GLN 69 HB2 GLN 69 -17.405 18.269 3.895 539 HB3 GLN 69 HB3 GLN 69 -16.319 16.918 4.200 540 HG2 GLN 69 HG2 GLN 69 -17.497 18.585 6.432 541 HG3 GLN 69 HG3 GLN 69 -18.325 17.190 5.752 542 HE21 GLN 69 HE21 GLN 69 -18.297 16.102 7.715 543 HE22 GLN 69 HE22 GLN 69 -16.860 15.432 8.398 544 H LYS 70 H LYS 70 -16.099 19.520 2.285 545 HA LYS 70 HA LYS 70 -14.305 17.987 0.733 546 HB2 LYS 70 HB2 LYS 70 -16.100 20.351 0.082 547 HB3 LYS 70 HB3 LYS 70 -15.109 19.565 -1.149 548 HG2 LYS 70 HG2 LYS 70 -16.247 17.453 -0.835 549 HG3 LYS 70 HG3 LYS 70 -17.133 18.081 0.558 550 HD2 LYS 70 HD2 LYS 70 -18.483 19.509 -0.819 551 HD3 LYS 70 HD3 LYS 70 -17.432 19.270 -2.217 552 HE2 LYS 70 HE2 LYS 70 -19.074 17.038 -0.956 553 HE3 LYS 70 HE3 LYS 70 -19.637 18.009 -2.308 554 HZ1 LYS 70 HZ1 LYS 70 -18.698 15.934 -3.068 555 HZ2 LYS 70 HZ2 LYS 70 -17.229 16.281 -2.304 556 HZ3 LYS 70 HZ3 LYS 70 -17.744 17.229 -3.601 557 H ALA 71 H ALA 71 -13.780 20.985 2.351 558 HA ALA 71 HA ALA 71 -11.667 21.942 0.507 559 HB1 ALA 71 HB1 ALA 71 -11.523 23.935 1.975 560 HB2 ALA 71 HB2 ALA 71 -12.721 23.229 3.067 561 HB3 ALA 71 HB3 ALA 71 -13.181 23.678 1.424 562 H THR 72 H THR 72 -12.101 21.154 3.935 563 HA THR 72 HA THR 72 -9.568 20.800 4.895 564 HB THR 72 HB THR 72 -11.873 18.884 5.502 565 HG1 THR 72 HG1 THR 72 -12.757 20.544 6.438 566 HG21 THR 72 HG21 THR 72 -9.462 19.662 7.200 567 HG22 THR 72 HG22 THR 72 -9.715 18.091 6.432 568 HG23 THR 72 HG23 THR 72 -10.798 18.628 7.717 569 H TRP 73 H TRP 73 -11.400 18.371 3.029 570 HA TRP 73 HA TRP 73 -9.315 16.401 2.963 571 HB2 TRP 73 HB2 TRP 73 -11.898 16.730 1.403 572 HB3 TRP 73 HB3 TRP 73 -10.778 15.424 1.062 573 HD1 TRP 73 HD1 TRP 73 -13.511 16.420 3.515 574 HE1 TRP 73 HE1 TRP 73 -13.963 14.469 5.092 575 HE3 TRP 73 HE3 TRP 73 -9.530 13.450 2.310 576 HZ2 TRP 73 HZ2 TRP 73 -12.821 11.982 5.746 577 HZ3 TRP 73 HZ3 TRP 73 -9.297 11.275 3.443 578 HH2 TRP 73 HH2 TRP 73 -10.915 10.562 5.133 579 H ALA 74 H ALA 74 -10.275 19.062 0.800 580 HA ALA 74 HA ALA 74 -8.543 18.453 -1.388 581 HB1 ALA 74 HB1 ALA 74 -9.651 21.155 -0.531 582 HB2 ALA 74 HB2 ALA 74 -10.455 20.002 -1.600 583 HB3 ALA 74 HB3 ALA 74 -8.949 20.773 -2.108 584 H LYS 75 H LYS 75 -8.066 19.989 1.699 585 HA LYS 75 HA LYS 75 -5.508 21.221 0.988 586 HB2 LYS 75 HB2 LYS 75 -7.060 22.468 2.446 587 HB3 LYS 75 HB3 LYS 75 -7.041 21.160 3.620 588 HG2 LYS 75 HG2 LYS 75 -4.785 21.603 4.251 589 HG3 LYS 75 HG3 LYS 75 -4.506 22.638 2.850 590 HD2 LYS 75 HD2 LYS 75 -6.421 23.295 5.125 591 HD3 LYS 75 HD3 LYS 75 -4.766 23.902 5.000 592 HE2 LYS 75 HE2 LYS 75 -5.325 25.053 2.895 593 HE3 LYS 75 HE3 LYS 75 -6.963 24.403 2.959 594 HZ1 LYS 75 HZ1 LYS 75 -5.758 26.254 4.928 595 HZ2 LYS 75 HZ2 LYS 75 -7.319 25.621 5.000 596 HZ3 LYS 75 HZ3 LYS 75 -6.890 26.662 3.740 597 H TYR 76 H TYR 76 -6.860 18.504 2.742 598 HA TYR 76 HA TYR 76 -4.553 17.528 4.038 599 HB2 TYR 76 HB2 TYR 76 -6.662 16.601 4.751 600 HB3 TYR 76 HB3 TYR 76 -7.114 16.148 3.106 601 HD1 TYR 76 HD1 TYR 76 -4.288 15.514 5.497 602 HD2 TYR 76 HD2 TYR 76 -6.963 13.833 2.622 603 HE1 TYR 76 HE1 TYR 76 -3.243 13.341 5.808 604 HE2 TYR 76 HE2 TYR 76 -5.920 11.623 2.947 605 HH TYR 76 HH TYR 76 -3.372 11.156 5.407 606 H ARG 77 H ARG 77 -6.039 16.626 0.921 607 HA ARG 77 HA ARG 77 -4.112 14.689 0.180 608 HB2 ARG 77 HB2 ARG 77 -5.121 14.721 -2.026 609 HB3 ARG 77 HB3 ARG 77 -6.400 14.841 -0.821 610 HG2 ARG 77 HG2 ARG 77 -6.550 17.288 -1.276 611 HG3 ARG 77 HG3 ARG 77 -5.318 17.108 -2.529 612 HD2 ARG 77 HD2 ARG 77 -8.104 15.892 -2.503 613 HD3 ARG 77 HD3 ARG 77 -7.483 17.126 -3.602 614 HE ARG 77 HE ARG 77 -5.908 14.780 -3.806 615 HH11 ARG 77 HH11 ARG 77 -8.943 16.138 -4.921 616 HH12 ARG 77 HH12 ARG 77 -9.193 14.901 -6.112 617 HH21 ARG 77 HH21 ARG 77 -6.222 13.207 -5.407 618 HH22 ARG 77 HH22 ARG 77 -7.638 13.269 -6.409 619 H GLN 78 H GLN 78 -4.357 18.161 -0.370 620 HA GLN 78 HA GLN 78 -2.155 18.453 -2.120 621 HB2 GLN 78 HB2 GLN 78 -4.090 20.086 -1.811 622 HB3 GLN 78 HB3 GLN 78 -3.344 20.590 -0.299 623 HG2 GLN 78 HG2 GLN 78 -2.824 22.129 -2.143 624 HG3 GLN 78 HG3 GLN 78 -1.375 21.376 -1.480 625 HE21 GLN 78 HE21 GLN 78 -3.550 19.654 -3.690 626 HE22 GLN 78 HE22 GLN 78 -2.456 19.645 -5.021 627 H ALA 79 H ALA 79 -2.499 18.569 1.391 628 HA ALA 79 HA ALA 79 0.177 19.515 1.958 629 HB1 ALA 79 HB1 ALA 79 -0.405 19.099 4.317 630 HB2 ALA 79 HB2 ALA 79 -1.874 18.252 3.818 631 HB3 ALA 79 HB3 ALA 79 -1.701 19.976 3.498 632 H LEU 80 H LEU 80 -1.173 16.442 1.164 633 HA LEU 80 HA LEU 80 0.822 14.848 2.560 634 HB2 LEU 80 HB2 LEU 80 -1.676 14.271 2.207 635 HB3 LEU 80 HB3 LEU 80 -1.265 13.937 0.536 636 HG LEU 80 HG LEU 80 -0.011 12.461 2.895 637 HD11 LEU 80 HD11 LEU 80 -2.382 11.584 1.230 638 HD12 LEU 80 HD12 LEU 80 -2.404 12.076 2.927 639 HD13 LEU 80 HD13 LEU 80 -1.538 10.620 2.451 640 HD21 LEU 80 HD21 LEU 80 0.612 10.749 1.251 641 HD22 LEU 80 HD22 LEU 80 1.326 12.307 0.852 642 HD23 LEU 80 HD23 LEU 80 -0.076 11.731 -0.054 643 H ARG 81 H ARG 81 -0.223 15.508 -0.810 644 HA ARG 81 HA ARG 81 2.065 14.405 -2.085 645 HB2 ARG 81 HB2 ARG 81 1.258 15.473 -4.144 646 HB3 ARG 81 HB3 ARG 81 -0.035 14.654 -3.294 647 HG2 ARG 81 HG2 ARG 81 -1.269 16.512 -3.583 648 HG3 ARG 81 HG3 ARG 81 -0.259 17.286 -2.368 649 HD2 ARG 81 HD2 ARG 81 0.366 17.341 -5.348 650 HD3 ARG 81 HD3 ARG 81 -0.582 18.576 -4.525 651 HE ARG 81 HE ARG 81 1.499 18.854 -3.072 652 HH11 ARG 81 HH11 ARG 81 1.714 17.901 -6.453 653 HH12 ARG 81 HH12 ARG 81 3.250 18.671 -6.696 654 HH21 ARG 81 HH21 ARG 81 3.513 19.858 -3.410 655 HH22 ARG 81 HH22 ARG 81 4.268 19.781 -4.969 656 H ASP 82 H ASP 82 1.508 17.446 -0.552 657 HA ASP 82 HA ASP 82 3.332 19.220 -1.628 658 HB2 ASP 82 HB2 ASP 82 1.773 19.766 0.222 659 HB3 ASP 82 HB3 ASP 82 2.703 18.764 1.327 660 H LEU 83 H LEU 83 3.953 16.521 0.565 661 HA LEU 83 HA LEU 83 6.677 16.948 1.107 662 HB2 LEU 83 HB2 LEU 83 5.052 14.381 0.988 663 HB3 LEU 83 HB3 LEU 83 6.693 14.462 1.612 664 HG LEU 83 HG LEU 83 4.254 15.849 2.814 665 HD11 LEU 83 HD11 LEU 83 5.899 13.516 3.855 666 HD12 LEU 83 HD12 LEU 83 4.266 13.429 3.188 667 HD13 LEU 83 HD13 LEU 83 4.553 14.305 4.689 668 HD21 LEU 83 HD21 LEU 83 5.751 16.534 4.643 669 HD22 LEU 83 HD22 LEU 83 6.254 17.232 3.109 670 HD23 LEU 83 HD23 LEU 83 7.138 15.858 3.778 671 HA PRO 84 HA PRO 84 8.892 16.180 -2.678 672 HB2 PRO 84 HB2 PRO 84 10.991 14.554 -1.699 673 HB3 PRO 84 HB3 PRO 84 10.965 16.322 -1.691 674 HG2 PRO 84 HG2 PRO 84 10.206 14.408 0.510 675 HG3 PRO 84 HG3 PRO 84 11.148 15.912 0.614 676 HD2 PRO 84 HD2 PRO 84 8.604 15.899 1.376 677 HD3 PRO 84 HD3 PRO 84 9.213 17.274 0.419 678 H GLU 85 H GLU 85 8.218 14.901 -4.269 679 HA GLU 85 HA GLU 85 7.226 12.237 -3.912 680 HB2 GLU 85 HB2 GLU 85 6.924 12.231 -6.372 681 HB3 GLU 85 HB3 GLU 85 6.259 13.677 -5.624 682 HG2 GLU 85 HG2 GLU 85 8.130 15.019 -6.381 683 HG3 GLU 85 HG3 GLU 85 8.968 13.590 -6.988 684 H THR 86 H THR 86 10.300 13.617 -4.977 685 HA THR 86 HA THR 86 11.578 11.148 -5.669 686 HB THR 86 HB THR 86 12.900 13.747 -4.738 687 HG1 THR 86 HG1 THR 86 12.001 12.877 -7.299 688 HG21 THR 86 HG21 THR 86 13.986 11.439 -6.422 689 HG22 THR 86 HG22 THR 86 14.457 11.809 -4.762 690 HG23 THR 86 HG23 THR 86 14.853 12.937 -6.060 691 H VAL 87 H VAL 87 11.008 9.768 -4.026 692 HA VAL 87 HA VAL 87 11.382 10.372 -1.233 693 HB VAL 87 HB VAL 87 10.580 8.003 -0.880 694 HG11 VAL 87 HG11 VAL 87 8.259 8.416 -1.672 695 HG12 VAL 87 HG12 VAL 87 8.844 9.723 -2.707 696 HG13 VAL 87 HG13 VAL 87 8.972 9.862 -0.951 697 HG21 VAL 87 HG21 VAL 87 11.487 6.951 -2.917 698 HG22 VAL 87 HG22 VAL 87 10.409 7.918 -3.926 699 HG23 VAL 87 HG23 VAL 87 9.740 6.697 -2.837 700 H THR 88 H THR 88 12.950 9.580 0.157 701 HA THR 88 HA THR 88 15.520 9.002 -1.027 702 HB THR 88 HB THR 88 16.327 9.104 1.383 703 HG1 THR 88 HG1 THR 88 14.746 9.879 2.914 704 HG21 THR 88 HG21 THR 88 14.637 11.469 0.476 705 HG22 THR 88 HG22 THR 88 16.303 11.148 -0.017 706 HG23 THR 88 HG23 THR 88 15.938 11.521 1.670 707 H ASP 89 H ASP 89 16.922 7.252 -0.228 708 HA ASP 89 HA ASP 89 15.610 4.740 -0.692 709 HB2 ASP 89 HB2 ASP 89 17.858 3.788 -0.798 710 HB3 ASP 89 HB3 ASP 89 17.801 5.285 -1.716 711 H LEU 90 H LEU 90 14.962 3.307 0.733 712 HA LEU 90 HA LEU 90 14.389 2.262 2.619 713 HB2 LEU 90 HB2 LEU 90 17.354 2.580 3.160 714 HB3 LEU 90 HB3 LEU 90 16.305 1.587 4.147 715 HG LEU 90 HG LEU 90 17.488 0.123 2.689 716 HD11 LEU 90 HD11 LEU 90 15.744 -1.021 1.457 717 HD12 LEU 90 HD12 LEU 90 14.695 0.393 1.578 718 HD13 LEU 90 HD13 LEU 90 15.171 -0.484 3.034 719 HD21 LEU 90 HD21 LEU 90 17.544 0.286 0.248 720 HD22 LEU 90 HD22 LEU 90 18.250 1.710 1.009 721 HD23 LEU 90 HD23 LEU 90 16.629 1.798 0.314 722 H SER 91 H SER 91 13.083 4.182 3.114 723 HA SER 91 HA SER 91 13.710 5.260 5.770 724 HB2 SER 91 HB2 SER 91 13.075 7.566 5.020 725 HB3 SER 91 HB3 SER 91 14.525 6.978 4.205 726 HG SER 91 HG SER 91 13.489 7.411 2.431 727 H GLN 92 H GLN 92 11.907 5.632 7.025 728 HA GLN 92 HA GLN 92 9.356 4.597 6.114 729 HB2 GLN 92 HB2 GLN 92 10.224 5.668 8.825 730 HB3 GLN 92 HB3 GLN 92 8.634 4.994 8.476 731 HG2 GLN 92 HG2 GLN 92 9.740 2.820 7.885 732 HG3 GLN 92 HG3 GLN 92 11.284 3.505 8.394 733 HE21 GLN 92 HE21 GLN 92 9.827 1.198 9.427 734 HE22 GLN 92 HE22 GLN 92 9.571 1.487 11.112 735 H ILE 93 H ILE 93 8.325 5.905 4.853 736 HA ILE 93 HA ILE 93 8.124 8.679 4.793 737 HB ILE 93 HB ILE 93 5.827 8.174 3.654 738 HG12 ILE 93 HG12 ILE 93 6.819 5.337 4.199 739 HG13 ILE 93 HG13 ILE 93 5.296 6.050 4.707 740 HG21 ILE 93 HG21 ILE 93 6.878 7.385 1.579 741 HG22 ILE 93 HG22 ILE 93 8.334 6.955 2.481 742 HG23 ILE 93 HG23 ILE 93 7.838 8.645 2.365 743 HD11 ILE 93 HD11 ILE 93 5.056 4.401 2.944 744 HD12 ILE 93 HD12 ILE 93 6.035 5.387 1.862 745 HD13 ILE 93 HD13 ILE 93 4.485 5.981 2.444 746 H VAL 94 H VAL 94 7.035 10.185 6.035 747 HA VAL 94 HA VAL 94 4.732 9.335 7.662 748 HB VAL 94 HB VAL 94 6.628 9.503 9.196 749 HG11 VAL 94 HG11 VAL 94 7.106 12.343 8.234 750 HG12 VAL 94 HG12 VAL 94 8.140 10.947 7.924 751 HG13 VAL 94 HG13 VAL 94 7.943 11.547 9.573 752 HG21 VAL 94 HG21 VAL 94 4.779 11.892 9.543 753 HG22 VAL 94 HG22 VAL 94 5.737 11.135 10.818 754 HG23 VAL 94 HG23 VAL 94 4.441 10.229 10.034 755 H TRP 95 H TRP 95 3.030 10.469 7.172 756 HA TRP 95 HA TRP 95 3.119 13.248 6.263 757 HB2 TRP 95 HB2 TRP 95 1.262 12.462 4.493 758 HB3 TRP 95 HB3 TRP 95 2.964 12.441 4.097 759 HD1 TRP 95 HD1 TRP 95 0.736 9.703 5.826 760 HE1 TRP 95 HE1 TRP 95 1.100 7.519 4.509 761 HE3 TRP 95 HE3 TRP 95 3.941 11.441 2.221 762 HZ2 TRP 95 HZ2 TRP 95 2.544 6.666 2.256 763 HZ3 TRP 95 HZ3 TRP 95 4.747 9.865 0.505 764 HH2 TRP 95 HH2 TRP 95 4.050 7.509 0.527 765 HA PRO 96 HA PRO 96 -0.355 13.885 8.896 766 HB2 PRO 96 HB2 PRO 96 -2.333 15.144 7.383 767 HB3 PRO 96 HB3 PRO 96 -0.897 15.958 8.015 768 HG2 PRO 96 HG2 PRO 96 -1.357 14.807 5.262 769 HG3 PRO 96 HG3 PRO 96 -0.646 16.375 5.714 770 HD2 PRO 96 HD2 PRO 96 0.928 14.317 5.021 771 HD3 PRO 96 HD3 PRO 96 1.409 15.406 6.344 772 H GLN 97 H GLN 97 -2.179 12.950 9.647 773 HA GLN 97 HA GLN 97 -3.361 10.673 8.249 774 HB2 GLN 97 HB2 GLN 97 -2.889 10.460 10.643 775 HB3 GLN 97 HB3 GLN 97 -3.865 11.872 11.010 776 HG2 GLN 97 HG2 GLN 97 -5.035 9.857 11.652 777 HG3 GLN 97 HG3 GLN 97 -5.896 10.643 10.336 778 HE21 GLN 97 HE21 GLN 97 -5.869 7.857 11.325 779 HE22 GLN 97 HE22 GLN 97 -5.546 6.876 9.942 780 H LEU 98 H LEU 98 -5.515 10.551 7.549 781 HA LEU 98 HA LEU 98 -6.643 12.935 6.526 782 HB2 LEU 98 HB2 LEU 98 -8.646 11.355 5.944 783 HB3 LEU 98 HB3 LEU 98 -7.105 11.151 5.150 784 HG LEU 98 HG LEU 98 -6.623 9.213 6.683 785 HD11 LEU 98 HD11 LEU 98 -8.503 8.136 7.866 786 HD12 LEU 98 HD12 LEU 98 -9.518 9.548 7.531 787 HD13 LEU 98 HD13 LEU 98 -8.085 9.701 8.560 788 HD21 LEU 98 HD21 LEU 98 -9.116 8.958 4.976 789 HD22 LEU 98 HD22 LEU 98 -8.050 7.637 5.466 790 HD23 LEU 98 HD23 LEU 98 -7.449 8.896 4.387 791 HA PRO 99 HA PRO 99 -8.805 14.789 9.750 792 HB2 PRO 99 HB2 PRO 99 -11.228 15.601 8.590 793 HB3 PRO 99 HB3 PRO 99 -9.679 16.428 8.399 794 HG2 PRO 99 HG2 PRO 99 -11.017 14.467 6.556 795 HG3 PRO 99 HG3 PRO 99 -10.155 15.969 6.159 796 HD2 PRO 99 HD2 PRO 99 -8.984 13.569 5.836 797 HD3 PRO 99 HD3 PRO 99 -8.042 14.969 6.401 798 H VAL 100 H VAL 100 -11.053 12.622 8.011 799 HA VAL 100 HA VAL 100 -12.685 12.249 10.426 800 HB VAL 100 HB VAL 100 -13.162 11.141 7.627 801 HG11 VAL 100 HG11 VAL 100 -15.524 10.871 8.396 802 HG12 VAL 100 HG12 VAL 100 -15.057 11.420 10.007 803 HG13 VAL 100 HG13 VAL 100 -14.401 9.912 9.365 804 HG21 VAL 100 HG21 VAL 100 -14.757 13.020 7.291 805 HG22 VAL 100 HG22 VAL 100 -13.105 13.602 7.515 806 HG23 VAL 100 HG23 VAL 100 -14.265 13.713 8.843 Start of MODEL 9 1 H MET 1 H MET 1 6.508 -4.064 6.021 2 HA MET 1 HA MET 1 5.232 -4.102 3.364 3 HB2 MET 1 HB2 MET 1 6.544 -2.013 3.793 4 HB3 MET 1 HB3 MET 1 7.942 -2.984 4.217 5 HG2 MET 1 HG2 MET 1 6.668 -3.008 1.467 6 HG3 MET 1 HG3 MET 1 8.018 -1.971 1.923 7 HE1 MET 1 HE1 MET 1 9.759 -3.994 3.770 8 HE2 MET 1 HE2 MET 1 10.446 -2.910 2.562 9 HE3 MET 1 HE3 MET 1 10.860 -4.626 2.551 10 H LEU 2 H LEU 2 5.404 -6.030 2.516 11 HA LEU 2 HA LEU 2 7.735 -7.763 3.073 12 HB2 LEU 2 HB2 LEU 2 6.339 -9.601 2.005 13 HB3 LEU 2 HB3 LEU 2 5.766 -9.005 3.547 14 HG LEU 2 HG LEU 2 4.047 -7.613 2.239 15 HD11 LEU 2 HD11 LEU 2 4.964 -7.684 -0.008 16 HD12 LEU 2 HD12 LEU 2 3.376 -8.441 0.010 17 HD13 LEU 2 HD13 LEU 2 4.828 -9.441 -0.049 18 HD21 LEU 2 HD21 LEU 2 3.836 -10.627 2.094 19 HD22 LEU 2 HD22 LEU 2 2.491 -9.480 2.061 20 HD23 LEU 2 HD23 LEU 2 3.487 -9.625 3.505 21 H LEU 3 H LEU 3 8.873 -8.646 1.238 22 HA LEU 3 HA LEU 3 9.053 -6.905 -1.022 23 HB2 LEU 3 HB2 LEU 3 10.412 -9.489 -0.188 24 HB3 LEU 3 HB3 LEU 3 10.759 -8.734 -1.732 25 HG LEU 3 HG LEU 3 11.794 -6.826 -0.671 26 HD11 LEU 3 HD11 LEU 3 10.925 -7.913 2.013 27 HD12 LEU 3 HD12 LEU 3 10.334 -6.441 1.235 28 HD13 LEU 3 HD13 LEU 3 12.015 -6.550 1.760 29 HD21 LEU 3 HD21 LEU 3 12.743 -9.336 0.750 30 HD22 LEU 3 HD22 LEU 3 13.673 -7.855 0.502 31 HD23 LEU 3 HD23 LEU 3 13.200 -8.840 -0.881 32 H HIS 4 H HIS 4 7.338 -6.979 -2.396 33 HA HIS 4 HA HIS 4 5.684 -9.041 -3.092 34 HB2 HIS 4 HB2 HIS 4 6.533 -6.599 -4.695 35 HB3 HIS 4 HB3 HIS 4 5.259 -7.690 -5.236 36 HD1 HIS 4 HD1 HIS 4 3.108 -6.525 -4.849 37 HD2 HIS 4 HD2 HIS 4 5.728 -5.984 -1.665 38 HE1 HIS 4 HE1 HIS 4 1.817 -5.231 -3.126 39 HE2 HIS 4 HE2 HIS 4 3.432 -4.866 -1.234 40 H SER 5 H SER 5 8.974 -8.841 -4.015 41 HA SER 5 HA SER 5 8.812 -11.359 -5.420 42 HB2 SER 5 HB2 SER 5 10.060 -10.475 -7.457 43 HB3 SER 5 HB3 SER 5 8.396 -9.902 -7.336 44 HG SER 5 HG SER 5 10.614 -8.421 -6.364 45 H VAL 6 H VAL 6 10.545 -12.517 -4.742 46 HA VAL 6 HA VAL 6 13.152 -11.193 -4.228 47 HB VAL 6 HB VAL 6 12.100 -13.496 -2.483 48 HG11 VAL 6 HG11 VAL 6 14.059 -12.973 -1.034 49 HG12 VAL 6 HG12 VAL 6 14.574 -11.728 -2.174 50 HG13 VAL 6 HG13 VAL 6 14.567 -13.425 -2.665 51 HG21 VAL 6 HG21 VAL 6 11.846 -11.886 -0.641 52 HG22 VAL 6 HG22 VAL 6 10.779 -11.479 -1.989 53 HG23 VAL 6 HG23 VAL 6 12.265 -10.562 -1.732 54 H GLU 7 H GLU 7 14.396 -12.018 -5.865 55 HA GLU 7 HA GLU 7 13.978 -14.670 -6.918 56 HB2 GLU 7 HB2 GLU 7 14.736 -12.813 -8.387 57 HB3 GLU 7 HB3 GLU 7 16.246 -12.715 -7.487 58 HG2 GLU 7 HG2 GLU 7 16.839 -14.971 -8.186 59 HG3 GLU 7 HG3 GLU 7 15.307 -15.140 -9.049 60 H THR 8 H THR 8 14.337 -16.157 -5.384 61 HA THR 8 HA THR 8 16.818 -16.261 -3.808 62 HB THR 8 HB THR 8 15.705 -18.028 -2.534 63 HG1 THR 8 HG1 THR 8 13.454 -17.967 -4.236 64 HG21 THR 8 HG21 THR 8 14.874 -15.716 -2.077 65 HG22 THR 8 HG22 THR 8 13.640 -16.938 -1.771 66 HG23 THR 8 HG23 THR 8 13.582 -15.971 -3.248 67 HA PRO 9 HA PRO 9 18.783 -19.278 -6.516 68 HB2 PRO 9 HB2 PRO 9 19.806 -21.223 -4.827 69 HB3 PRO 9 HB3 PRO 9 20.520 -19.618 -5.034 70 HG2 PRO 9 HG2 PRO 9 18.651 -20.593 -2.880 71 HG3 PRO 9 HG3 PRO 9 20.124 -19.617 -2.715 72 HD2 PRO 9 HD2 PRO 9 17.684 -18.478 -2.637 73 HD3 PRO 9 HD3 PRO 9 19.053 -17.650 -3.411 74 H ARG 10 H ARG 10 16.041 -20.263 -4.749 75 HA ARG 10 HA ARG 10 15.722 -22.746 -6.344 76 HB2 ARG 10 HB2 ARG 10 13.859 -23.295 -4.851 77 HB3 ARG 10 HB3 ARG 10 15.305 -22.931 -3.915 78 HG2 ARG 10 HG2 ARG 10 14.375 -20.590 -3.582 79 HG3 ARG 10 HG3 ARG 10 12.867 -21.162 -4.294 80 HD2 ARG 10 HD2 ARG 10 14.189 -22.237 -1.778 81 HD3 ARG 10 HD3 ARG 10 12.792 -21.166 -1.838 82 HE ARG 10 HE ARG 10 11.531 -22.981 -2.871 83 HH11 ARG 10 HH11 ARG 10 14.535 -23.931 -1.313 84 HH12 ARG 10 HH12 ARG 10 13.973 -25.527 -0.945 85 HH21 ARG 10 HH21 ARG 10 10.809 -25.071 -2.369 86 HH22 ARG 10 HH22 ARG 10 11.863 -26.179 -1.549 87 H GLY 11 H GLY 11 15.177 -19.592 -6.857 88 HA2 GLY 11 HA2 GLY 11 14.034 -19.090 -9.007 89 HA3 GLY 11 HA3 GLY 11 12.641 -19.959 -8.368 90 H GLU 12 H GLU 12 11.986 -17.543 -9.133 91 HA GLU 12 HA GLU 12 12.417 -15.556 -7.034 92 HB2 GLU 12 HB2 GLU 12 12.276 -14.862 -9.452 93 HB3 GLU 12 HB3 GLU 12 10.573 -15.318 -9.458 94 HG2 GLU 12 HG2 GLU 12 10.134 -13.634 -7.672 95 HG3 GLU 12 HG3 GLU 12 11.836 -13.175 -7.713 96 H ILE 13 H ILE 13 10.778 -14.757 -5.642 97 HA ILE 13 HA ILE 13 8.533 -16.618 -5.142 98 HB ILE 13 HB ILE 13 10.342 -15.374 -3.002 99 HG12 ILE 13 HG12 ILE 13 11.596 -17.124 -4.191 100 HG13 ILE 13 HG13 ILE 13 11.190 -17.670 -2.571 101 HG21 ILE 13 HG21 ILE 13 8.072 -17.380 -2.750 102 HG22 ILE 13 HG22 ILE 13 8.043 -15.698 -2.216 103 HG23 ILE 13 HG23 ILE 13 9.119 -16.854 -1.431 104 HD11 ILE 13 HD11 ILE 13 9.804 -18.499 -5.118 105 HD12 ILE 13 HD12 ILE 13 9.399 -19.055 -3.492 106 HD13 ILE 13 HD13 ILE 13 10.966 -19.451 -4.194 107 H LEU 14 H LEU 14 6.761 -15.452 -5.464 108 HA LEU 14 HA LEU 14 6.734 -12.557 -5.328 109 HB2 LEU 14 HB2 LEU 14 4.542 -14.560 -6.025 110 HB3 LEU 14 HB3 LEU 14 4.404 -12.813 -6.194 111 HG LEU 14 HG LEU 14 6.424 -14.520 -7.725 112 HD11 LEU 14 HD11 LEU 14 3.786 -13.377 -8.692 113 HD12 LEU 14 HD12 LEU 14 4.153 -15.083 -8.414 114 HD13 LEU 14 HD13 LEU 14 4.990 -14.201 -9.689 115 HD21 LEU 14 HD21 LEU 14 5.645 -11.598 -8.071 116 HD22 LEU 14 HD22 LEU 14 6.760 -12.495 -9.108 117 HD23 LEU 14 HD23 LEU 14 7.175 -12.198 -7.423 118 H ASN 15 H ASN 15 6.363 -11.520 -3.525 119 HA ASN 15 HA ASN 15 5.463 -10.661 -1.672 120 HB2 ASN 15 HB2 ASN 15 3.121 -12.506 -2.249 121 HB3 ASN 15 HB3 ASN 15 3.110 -11.209 -1.058 122 HD21 ASN 15 HD21 ASN 15 2.982 -11.979 -4.444 123 HD22 ASN 15 HD22 ASN 15 2.641 -10.382 -5.008 124 H VAL 16 H VAL 16 7.252 -11.629 -0.616 125 HA VAL 16 HA VAL 16 6.349 -13.319 1.619 126 HB VAL 16 HB VAL 16 7.576 -14.826 0.083 127 HG11 VAL 16 HG11 VAL 16 9.966 -12.981 0.424 128 HG12 VAL 16 HG12 VAL 16 9.049 -13.232 -1.064 129 HG13 VAL 16 HG13 VAL 16 9.988 -14.559 -0.373 130 HG21 VAL 16 HG21 VAL 16 7.735 -15.285 2.493 131 HG22 VAL 16 HG22 VAL 16 9.147 -14.233 2.613 132 HG23 VAL 16 HG23 VAL 16 9.241 -15.728 1.685 133 H SER 17 H SER 17 7.181 -12.720 3.590 134 HA SER 17 HA SER 17 8.468 -10.186 3.919 135 HB2 SER 17 HB2 SER 17 7.957 -12.443 5.905 136 HB3 SER 17 HB3 SER 17 8.517 -10.824 6.341 137 HG SER 17 HG SER 17 6.587 -9.986 5.805 138 H GLU 18 H GLU 18 10.572 -9.804 4.718 139 HA GLU 18 HA GLU 18 12.651 -11.159 3.449 140 HB2 GLU 18 HB2 GLU 18 12.980 -9.519 5.983 141 HB3 GLU 18 HB3 GLU 18 14.232 -9.898 4.813 142 HG2 GLU 18 HG2 GLU 18 13.796 -7.820 4.034 143 HG3 GLU 18 HG3 GLU 18 12.466 -8.607 3.192 144 H GLN 19 H GLN 19 11.358 -11.599 6.731 145 HA GLN 19 HA GLN 19 13.351 -13.225 7.824 146 HB2 GLN 19 HB2 GLN 19 11.586 -13.976 9.447 147 HB3 GLN 19 HB3 GLN 19 11.726 -12.233 9.275 148 HG2 GLN 19 HG2 GLN 19 9.702 -12.185 7.868 149 HG3 GLN 19 HG3 GLN 19 9.578 -13.943 7.973 150 HE21 GLN 19 HE21 GLN 19 7.541 -13.870 8.919 151 HE22 GLN 19 HE22 GLN 19 7.281 -13.338 10.542 152 H GLU 20 H GLU 20 10.318 -14.292 6.207 153 HA GLU 20 HA GLU 20 10.908 -17.079 6.425 154 HB2 GLU 20 HB2 GLU 20 8.588 -16.370 6.260 155 HB3 GLU 20 HB3 GLU 20 8.881 -15.585 4.715 156 HG2 GLU 20 HG2 GLU 20 9.201 -17.710 3.621 157 HG3 GLU 20 HG3 GLU 20 9.139 -18.566 5.153 158 H ALA 21 H ALA 21 11.205 -14.714 3.801 159 HA ALA 21 HA ALA 21 12.325 -16.131 1.769 160 HB1 ALA 21 HB1 ALA 21 13.517 -14.087 1.104 161 HB2 ALA 21 HB2 ALA 21 13.286 -13.412 2.721 162 HB3 ALA 21 HB3 ALA 21 11.892 -13.707 1.680 163 H ARG 22 H ARG 22 14.153 -14.879 4.618 164 HA ARG 22 HA ARG 22 16.744 -15.764 3.925 165 HB2 ARG 22 HB2 ARG 22 15.581 -15.627 6.741 166 HB3 ARG 22 HB3 ARG 22 17.294 -15.677 6.337 167 HG2 ARG 22 HG2 ARG 22 17.208 -13.452 5.417 168 HG3 ARG 22 HG3 ARG 22 15.453 -13.408 5.570 169 HD2 ARG 22 HD2 ARG 22 17.503 -13.403 7.803 170 HD3 ARG 22 HD3 ARG 22 16.322 -12.147 7.412 171 HE ARG 22 HE ARG 22 14.946 -14.536 8.003 172 HH11 ARG 22 HH11 ARG 22 16.796 -12.095 9.736 173 HH12 ARG 22 HH12 ARG 22 16.019 -12.437 11.248 174 HH21 ARG 22 HH21 ARG 22 13.968 -14.970 9.971 175 HH22 ARG 22 HH22 ARG 22 14.403 -14.053 11.379 176 H ASP 23 H ASP 23 14.206 -17.347 5.854 177 HA ASP 23 HA ASP 23 15.994 -19.421 6.811 178 HB2 ASP 23 HB2 ASP 23 13.070 -18.766 7.381 179 HB3 ASP 23 HB3 ASP 23 13.863 -20.183 8.065 180 H VAL 24 H VAL 24 12.831 -19.476 5.127 181 HA VAL 24 HA VAL 24 13.026 -22.311 4.607 182 HB VAL 24 HB VAL 24 10.917 -20.351 3.568 183 HG11 VAL 24 HG11 VAL 24 10.829 -23.385 3.914 184 HG12 VAL 24 HG12 VAL 24 10.917 -22.518 2.377 185 HG13 VAL 24 HG13 VAL 24 9.477 -22.382 3.388 186 HG21 VAL 24 HG21 VAL 24 11.021 -20.196 6.028 187 HG22 VAL 24 HG22 VAL 24 10.891 -21.952 6.162 188 HG23 VAL 24 HG23 VAL 24 9.536 -21.013 5.528 189 H PHE 25 H PHE 25 12.873 -19.358 2.607 190 HA PHE 25 HA PHE 25 13.195 -20.837 0.133 191 HB2 PHE 25 HB2 PHE 25 12.985 -17.844 0.662 192 HB3 PHE 25 HB3 PHE 25 13.014 -18.576 -0.942 193 HD1 PHE 25 HD1 PHE 25 11.200 -20.467 -1.359 194 HD2 PHE 25 HD2 PHE 25 10.862 -17.445 1.644 195 HE1 PHE 25 HE1 PHE 25 8.770 -20.796 -1.296 196 HE2 PHE 25 HE2 PHE 25 8.428 -17.786 1.694 197 HZ PHE 25 HZ PHE 25 7.383 -19.455 0.226 198 H GLY 26 H GLY 26 15.364 -19.477 2.387 199 HA2 GLY 26 HA2 GLY 26 17.646 -19.326 2.435 200 HA3 GLY 26 HA3 GLY 26 17.657 -20.386 1.034 201 H ALA 27 H ALA 27 16.354 -17.129 1.420 202 HA ALA 27 HA ALA 27 17.231 -16.269 -1.144 203 HB1 ALA 27 HB1 ALA 27 16.244 -14.102 -0.519 204 HB2 ALA 27 HB2 ALA 27 16.078 -14.647 1.154 205 HB3 ALA 27 HB3 ALA 27 15.158 -15.436 -0.128 206 H SER 28 H SER 28 18.911 -15.024 -1.715 207 HA SER 28 HA SER 28 21.151 -14.586 -0.030 208 HB2 SER 28 HB2 SER 28 21.397 -14.817 -2.476 209 HB3 SER 28 HB3 SER 28 20.477 -13.332 -2.732 210 HG SER 28 HG SER 28 23.104 -13.692 -1.974 211 H GLU 29 H GLU 29 21.910 -12.689 0.861 212 HA GLU 29 HA GLU 29 20.024 -10.742 1.810 213 HB2 GLU 29 HB2 GLU 29 23.068 -10.789 1.951 214 HB3 GLU 29 HB3 GLU 29 22.038 -9.665 2.835 215 HG2 GLU 29 HG2 GLU 29 21.061 -11.477 4.110 216 HG3 GLU 29 HG3 GLU 29 21.932 -12.676 3.157 217 H GLN 30 H GLN 30 22.244 -10.969 -0.877 218 HA GLN 30 HA GLN 30 22.223 -8.363 -1.906 219 HB2 GLN 30 HB2 GLN 30 22.192 -11.083 -3.295 220 HB3 GLN 30 HB3 GLN 30 22.420 -9.573 -4.168 221 HG2 GLN 30 HG2 GLN 30 24.248 -10.550 -1.956 222 HG3 GLN 30 HG3 GLN 30 24.533 -10.817 -3.673 223 HE21 GLN 30 HE21 GLN 30 23.635 -8.192 -4.544 224 HE22 GLN 30 HE22 GLN 30 24.862 -7.082 -4.049 225 H ALA 31 H ALA 31 19.866 -11.005 -2.265 226 HA ALA 31 HA ALA 31 18.157 -9.564 -4.090 227 HB1 ALA 31 HB1 ALA 31 17.667 -12.144 -2.552 228 HB2 ALA 31 HB2 ALA 31 18.325 -12.008 -4.185 229 HB3 ALA 31 HB3 ALA 31 16.664 -11.511 -3.858 230 H ILE 32 H ILE 32 17.395 -10.884 -0.801 231 HA ILE 32 HA ILE 32 15.452 -9.367 0.086 232 HB ILE 32 HB ILE 32 17.967 -9.996 1.677 233 HG12 ILE 32 HG12 ILE 32 15.303 -11.492 1.566 234 HG13 ILE 32 HG13 ILE 32 16.721 -11.946 0.628 235 HG21 ILE 32 HG21 ILE 32 15.228 -9.175 2.735 236 HG22 ILE 32 HG22 ILE 32 16.738 -8.268 2.901 237 HG23 ILE 32 HG23 ILE 32 16.539 -9.816 3.725 238 HD11 ILE 32 HD11 ILE 32 17.944 -12.396 2.696 239 HD12 ILE 32 HD12 ILE 32 16.470 -13.354 2.572 240 HD13 ILE 32 HD13 ILE 32 16.517 -11.952 3.640 241 H ALA 33 H ALA 33 18.672 -7.949 -0.437 242 HA ALA 33 HA ALA 33 18.067 -5.503 1.056 243 HB1 ALA 33 HB1 ALA 33 20.406 -6.246 0.950 244 HB2 ALA 33 HB2 ALA 33 20.234 -4.661 0.191 245 HB3 ALA 33 HB3 ALA 33 20.393 -6.108 -0.809 246 H ASP 34 H ASP 34 18.822 -6.285 -2.326 247 HA ASP 34 HA ASP 34 18.102 -4.014 -3.662 248 HB2 ASP 34 HB2 ASP 34 19.205 -6.015 -4.691 249 HB3 ASP 34 HB3 ASP 34 17.673 -6.871 -4.640 250 H ALA 35 H ALA 35 15.978 -6.730 -2.962 251 HA ALA 35 HA ALA 35 13.697 -5.661 -4.302 252 HB1 ALA 35 HB1 ALA 35 12.528 -7.666 -3.481 253 HB2 ALA 35 HB2 ALA 35 13.911 -8.059 -2.458 254 HB3 ALA 35 HB3 ALA 35 14.082 -8.076 -4.213 255 H ARG 36 H ARG 36 14.781 -5.721 -0.895 256 HA ARG 36 HA ARG 36 12.398 -4.641 0.240 257 HB2 ARG 36 HB2 ARG 36 14.156 -5.475 1.727 258 HB3 ARG 36 HB3 ARG 36 15.298 -4.280 1.123 259 HG2 ARG 36 HG2 ARG 36 13.863 -2.467 2.084 260 HG3 ARG 36 HG3 ARG 36 12.787 -3.702 2.740 261 HD2 ARG 36 HD2 ARG 36 15.719 -3.356 3.452 262 HD3 ARG 36 HD3 ARG 36 14.352 -2.807 4.424 263 HE ARG 36 HE ARG 36 13.705 -5.191 4.619 264 HH11 ARG 36 HH11 ARG 36 17.072 -4.537 3.833 265 HH12 ARG 36 HH12 ARG 36 17.657 -5.913 4.713 266 HH21 ARG 36 HH21 ARG 36 14.472 -6.966 5.761 267 HH22 ARG 36 HH22 ARG 36 16.174 -7.310 5.794 268 H LYS 37 H LYS 37 15.400 -3.086 -0.833 269 HA LYS 37 HA LYS 37 14.805 -0.423 -0.707 270 HB2 LYS 37 HB2 LYS 37 17.027 -1.205 -1.216 271 HB3 LYS 37 HB3 LYS 37 16.474 -2.029 -2.665 272 HG2 LYS 37 HG2 LYS 37 15.940 0.304 -3.618 273 HG3 LYS 37 HG3 LYS 37 16.826 0.954 -2.234 274 HD2 LYS 37 HD2 LYS 37 18.261 0.795 -4.244 275 HD3 LYS 37 HD3 LYS 37 18.860 -0.239 -2.942 276 HE2 LYS 37 HE2 LYS 37 17.811 -2.207 -4.033 277 HE3 LYS 37 HE3 LYS 37 17.216 -1.173 -5.332 278 HZ1 LYS 37 HZ1 LYS 37 20.075 -1.633 -4.680 279 HZ2 LYS 37 HZ2 LYS 37 19.481 -0.704 -5.963 280 HZ3 LYS 37 HZ3 LYS 37 19.216 -2.374 -5.933 281 H ALA 38 H ALA 38 13.843 -2.745 -3.234 282 HA ALA 38 HA ALA 38 13.062 -0.661 -5.103 283 HB1 ALA 38 HB1 ALA 38 14.121 -2.724 -5.925 284 HB2 ALA 38 HB2 ALA 38 12.506 -2.523 -6.608 285 HB3 ALA 38 HB3 ALA 38 12.775 -3.679 -5.300 286 H THR 39 H THR 39 11.460 -3.125 -3.064 287 HA THR 39 HA THR 39 8.785 -2.594 -3.825 288 HB THR 39 HB THR 39 9.766 -3.675 -1.130 289 HG1 THR 39 HG1 THR 39 10.161 -5.392 -2.282 290 HG21 THR 39 HG21 THR 39 7.515 -4.636 -0.913 291 HG22 THR 39 HG22 THR 39 7.013 -3.849 -2.410 292 HG23 THR 39 HG23 THR 39 7.431 -2.873 -0.998 293 H ILE 40 H ILE 40 10.748 -1.383 -1.092 294 HA ILE 40 HA ILE 40 8.969 0.461 0.016 295 HB ILE 40 HB ILE 40 12.004 0.324 -0.016 296 HG12 ILE 40 HG12 ILE 40 10.704 -1.343 1.349 297 HG13 ILE 40 HG13 ILE 40 11.773 -0.344 2.324 298 HG21 ILE 40 HG21 ILE 40 12.111 2.114 1.703 299 HG22 ILE 40 HG22 ILE 40 10.401 2.460 1.441 300 HG23 ILE 40 HG23 ILE 40 11.559 2.716 0.135 301 HD11 ILE 40 HD11 ILE 40 8.788 0.067 2.037 302 HD12 ILE 40 HD12 ILE 40 9.877 1.000 3.075 303 HD13 ILE 40 HD13 ILE 40 9.612 -0.715 3.383 304 H LEU 41 H LEU 41 11.600 1.092 -2.328 305 HA LEU 41 HA LEU 41 11.169 3.800 -2.803 306 HB2 LEU 41 HB2 LEU 41 13.192 3.045 -3.617 307 HB3 LEU 41 HB3 LEU 41 12.535 1.566 -4.259 308 HG LEU 41 HG LEU 41 11.909 4.133 -5.735 309 HD11 LEU 41 HD11 LEU 41 14.339 4.287 -5.310 310 HD12 LEU 41 HD12 LEU 41 14.008 3.974 -7.014 311 HD13 LEU 41 HD13 LEU 41 14.563 2.663 -5.966 312 HD21 LEU 41 HD21 LEU 41 12.035 2.634 -7.713 313 HD22 LEU 41 HD22 LEU 41 10.884 2.033 -6.520 314 HD23 LEU 41 HD23 LEU 41 12.477 1.284 -6.654 315 H GLN 42 H GLN 42 9.441 1.044 -4.124 316 HA GLN 42 HA GLN 42 7.989 2.550 -6.125 317 HB2 GLN 42 HB2 GLN 42 8.552 0.178 -6.487 318 HB3 GLN 42 HB3 GLN 42 7.662 -0.285 -5.044 319 HG2 GLN 42 HG2 GLN 42 6.442 -0.794 -7.133 320 HG3 GLN 42 HG3 GLN 42 5.557 0.316 -6.091 321 HE21 GLN 42 HE21 GLN 42 7.242 -0.033 -9.119 322 HE22 GLN 42 HE22 GLN 42 6.746 1.472 -9.806 323 H THR 43 H THR 43 7.426 1.275 -2.866 324 HA THR 43 HA THR 43 4.621 1.808 -2.716 325 HB THR 43 HB THR 43 6.658 1.194 -0.519 326 HG1 THR 43 HG1 THR 43 6.053 -0.363 -2.342 327 HG21 THR 43 HG21 THR 43 3.616 1.063 -0.375 328 HG22 THR 43 HG22 THR 43 4.643 2.201 0.500 329 HG23 THR 43 HG23 THR 43 4.733 0.478 0.866 330 H LEU 44 H LEU 44 7.503 3.720 -2.036 331 HA LEU 44 HA LEU 44 6.318 5.763 -0.434 332 HB2 LEU 44 HB2 LEU 44 8.698 6.109 -2.309 333 HB3 LEU 44 HB3 LEU 44 8.281 7.116 -0.934 334 HG LEU 44 HG LEU 44 9.447 4.319 -0.910 335 HD11 LEU 44 HD11 LEU 44 11.234 5.291 0.408 336 HD12 LEU 44 HD12 LEU 44 10.453 6.875 0.326 337 HD13 LEU 44 HD13 LEU 44 11.056 6.105 -1.146 338 HD21 LEU 44 HD21 LEU 44 9.274 4.240 1.526 339 HD22 LEU 44 HD22 LEU 44 7.677 4.303 0.784 340 HD23 LEU 44 HD23 LEU 44 8.362 5.749 1.530 341 H ARG 45 H ARG 45 6.334 5.075 -3.819 342 HA ARG 45 HA ARG 45 5.188 7.637 -4.650 343 HB2 ARG 45 HB2 ARG 45 5.885 5.125 -6.237 344 HB3 ARG 45 HB3 ARG 45 5.371 6.662 -6.938 345 HG2 ARG 45 HG2 ARG 45 7.395 7.758 -6.094 346 HG3 ARG 45 HG3 ARG 45 7.886 6.270 -5.282 347 HD2 ARG 45 HD2 ARG 45 7.513 6.473 -8.285 348 HD3 ARG 45 HD3 ARG 45 9.051 6.777 -7.479 349 HE ARG 45 HE ARG 45 8.580 4.376 -6.548 350 HH11 ARG 45 HH11 ARG 45 7.867 5.410 -9.824 351 HH12 ARG 45 HH12 ARG 45 8.327 3.894 -10.523 352 HH21 ARG 45 HH21 ARG 45 9.223 2.419 -7.490 353 HH22 ARG 45 HH22 ARG 45 9.109 2.204 -9.202 354 H ILE 46 H ILE 46 4.262 4.246 -4.181 355 HA ILE 46 HA ILE 46 1.730 4.344 -5.487 356 HB ILE 46 HB ILE 46 2.834 2.394 -3.421 357 HG12 ILE 46 HG12 ILE 46 2.442 2.170 -6.438 358 HG13 ILE 46 HG13 ILE 46 3.980 2.288 -5.591 359 HG21 ILE 46 HG21 ILE 46 0.220 2.137 -4.948 360 HG22 ILE 46 HG22 ILE 46 0.398 2.369 -3.210 361 HG23 ILE 46 HG23 ILE 46 0.957 0.876 -3.953 362 HD11 ILE 46 HD11 ILE 46 2.042 -0.023 -5.450 363 HD12 ILE 46 HD12 ILE 46 3.572 0.084 -4.576 364 HD13 ILE 46 HD13 ILE 46 3.567 0.024 -6.338 365 H GLU 47 H GLU 47 2.634 4.431 -2.034 366 HA GLU 47 HA GLU 47 0.148 4.437 -0.833 367 HB2 GLU 47 HB2 GLU 47 2.807 5.555 0.038 368 HB3 GLU 47 HB3 GLU 47 1.400 5.739 1.074 369 HG2 GLU 47 HG2 GLU 47 2.471 3.083 0.100 370 HG3 GLU 47 HG3 GLU 47 2.888 3.819 1.645 371 H ARG 48 H ARG 48 1.964 7.315 -2.005 372 HA ARG 48 HA ARG 48 0.146 9.197 -0.936 373 HB2 ARG 48 HB2 ARG 48 1.140 10.905 -2.283 374 HB3 ARG 48 HB3 ARG 48 2.414 9.848 -1.725 375 HG2 ARG 48 HG2 ARG 48 2.644 8.859 -3.934 376 HG3 ARG 48 HG3 ARG 48 1.248 9.767 -4.516 377 HD2 ARG 48 HD2 ARG 48 2.710 11.869 -3.722 378 HD3 ARG 48 HD3 ARG 48 4.045 10.733 -3.950 379 HE ARG 48 HE ARG 48 2.599 10.511 -6.263 380 HH11 ARG 48 HH11 ARG 48 4.130 13.233 -4.611 381 HH12 ARG 48 HH12 ARG 48 4.324 14.151 -6.070 382 HH21 ARG 48 HH21 ARG 48 2.828 11.753 -8.139 383 HH22 ARG 48 HH22 ARG 48 3.571 13.318 -8.066 384 H ASP 49 H ASP 49 0.362 7.776 -4.220 385 HA ASP 49 HA ASP 49 -1.864 9.124 -5.308 386 HB2 ASP 49 HB2 ASP 49 -0.356 6.614 -6.088 387 HB3 ASP 49 HB3 ASP 49 -1.800 7.084 -6.981 388 H GLU 50 H GLU 50 -1.598 6.117 -3.479 389 HA GLU 50 HA GLU 50 -4.201 5.102 -4.006 390 HB2 GLU 50 HB2 GLU 50 -2.211 4.515 -1.780 391 HB3 GLU 50 HB3 GLU 50 -3.773 3.707 -1.897 392 HG2 GLU 50 HG2 GLU 50 -1.537 3.616 -3.925 393 HG3 GLU 50 HG3 GLU 50 -2.050 2.308 -2.864 394 H ARG 51 H ARG 51 -2.878 7.065 -1.334 395 HA ARG 51 HA ARG 51 -5.288 7.190 0.197 396 HB2 ARG 51 HB2 ARG 51 -2.876 9.059 0.134 397 HB3 ARG 51 HB3 ARG 51 -4.184 9.172 1.314 398 HG2 ARG 51 HG2 ARG 51 -3.619 6.869 2.111 399 HG3 ARG 51 HG3 ARG 51 -2.258 6.840 0.981 400 HD2 ARG 51 HD2 ARG 51 -1.211 8.719 2.127 401 HD3 ARG 51 HD3 ARG 51 -2.623 8.912 3.169 402 HE ARG 51 HE ARG 51 -1.412 6.323 3.385 403 HH11 ARG 51 HH11 ARG 51 -1.201 9.647 4.565 404 HH12 ARG 51 HH12 ARG 51 -0.422 9.183 6.038 405 HH21 ARG 51 HH21 ARG 51 -0.453 5.765 5.327 406 HH22 ARG 51 HH22 ARG 51 0.012 6.985 6.468 407 H LEU 52 H LEU 52 -3.895 9.246 -2.334 408 HA LEU 52 HA LEU 52 -5.793 11.345 -2.214 409 HB2 LEU 52 HB2 LEU 52 -3.690 10.519 -4.193 410 HB3 LEU 52 HB3 LEU 52 -4.935 11.617 -4.754 411 HG LEU 52 HG LEU 52 -4.299 13.192 -2.856 412 HD11 LEU 52 HD11 LEU 52 -1.887 11.433 -2.517 413 HD12 LEU 52 HD12 LEU 52 -3.208 11.620 -1.362 414 HD13 LEU 52 HD13 LEU 52 -2.172 12.994 -1.748 415 HD21 LEU 52 HD21 LEU 52 -2.339 14.104 -3.984 416 HD22 LEU 52 HD22 LEU 52 -3.543 13.579 -5.158 417 HD23 LEU 52 HD23 LEU 52 -2.112 12.586 -4.857 418 H ARG 53 H ARG 53 -5.674 8.373 -4.185 419 HA ARG 53 HA ARG 53 -8.108 9.038 -5.607 420 HB2 ARG 53 HB2 ARG 53 -7.807 6.999 -6.834 421 HB3 ARG 53 HB3 ARG 53 -6.232 7.764 -6.669 422 HG2 ARG 53 HG2 ARG 53 -5.749 6.163 -4.764 423 HG3 ARG 53 HG3 ARG 53 -7.255 5.333 -5.161 424 HD2 ARG 53 HD2 ARG 53 -5.284 4.222 -6.168 425 HD3 ARG 53 HD3 ARG 53 -6.411 4.804 -7.397 426 HE ARG 53 HE ARG 53 -4.311 6.683 -6.795 427 HH11 ARG 53 HH11 ARG 53 -5.027 3.844 -8.739 428 HH12 ARG 53 HH12 ARG 53 -3.891 4.266 -9.976 429 HH21 ARG 53 HH21 ARG 53 -2.847 7.228 -8.411 430 HH22 ARG 53 HH22 ARG 53 -2.642 6.192 -9.783 431 H ALA 54 H ALA 54 -7.318 7.342 -2.684 432 HA ALA 54 HA ALA 54 -9.660 5.703 -2.494 433 HB1 ALA 54 HB1 ALA 54 -7.859 6.736 -0.272 434 HB2 ALA 54 HB2 ALA 54 -7.657 5.223 -1.159 435 HB3 ALA 54 HB3 ALA 54 -9.062 5.447 -0.115 436 H CYS 55 H CYS 55 -8.823 8.962 -1.448 437 HA CYS 55 HA CYS 55 -11.484 9.436 -0.308 438 HB2 CYS 55 HB2 CYS 55 -9.110 11.322 -0.503 439 HB3 CYS 55 HB3 CYS 55 -10.523 11.488 0.541 440 HG CYS 55 HG CYS 55 -9.494 8.678 1.469 441 H ASP 56 H ASP 56 -11.033 9.014 -3.248 442 HA ASP 56 HA ASP 56 -11.360 11.348 -4.775 443 HB2 ASP 56 HB2 ASP 56 -12.287 9.892 -6.508 444 HB3 ASP 56 HB3 ASP 56 -10.962 9.052 -5.714 445 H TRP 57 H TRP 57 -13.586 9.538 -2.792 446 HA TRP 57 HA TRP 57 -16.031 10.498 -3.776 447 HB2 TRP 57 HB2 TRP 57 -17.047 9.591 -1.763 448 HB3 TRP 57 HB3 TRP 57 -15.825 8.469 -2.342 449 HD1 TRP 57 HD1 TRP 57 -13.395 8.559 -0.868 450 HE1 TRP 57 HE1 TRP 57 -13.091 8.878 1.665 451 HE3 TRP 57 HE3 TRP 57 -17.935 10.623 0.268 452 HZ2 TRP 57 HZ2 TRP 57 -14.560 9.834 3.861 453 HZ3 TRP 57 HZ3 TRP 57 -18.403 11.222 2.611 454 HH2 TRP 57 HH2 TRP 57 -16.749 10.837 4.373 455 H THR 58 H THR 58 -13.825 11.847 -1.298 456 HA THR 58 HA THR 58 -15.639 13.933 -0.439 457 HB THR 58 HB THR 58 -13.697 14.893 0.764 458 HG1 THR 58 HG1 THR 58 -12.271 13.522 -1.072 459 HG21 THR 58 HG21 THR 58 -14.905 13.050 1.824 460 HG22 THR 58 HG22 THR 58 -13.190 12.999 2.230 461 HG23 THR 58 HG23 THR 58 -13.838 11.885 1.028 462 H GLN 59 H GLN 59 -13.369 13.531 -3.016 463 HA GLN 59 HA GLN 59 -12.929 16.388 -3.480 464 HB2 GLN 59 HB2 GLN 59 -11.831 13.948 -4.956 465 HB3 GLN 59 HB3 GLN 59 -11.319 15.619 -5.211 466 HG2 GLN 59 HG2 GLN 59 -11.013 14.020 -2.652 467 HG3 GLN 59 HG3 GLN 59 -9.721 14.441 -3.776 468 HE21 GLN 59 HE21 GLN 59 -10.403 15.121 -0.827 469 HE22 GLN 59 HE22 GLN 59 -10.150 16.829 -0.745 470 H VAL 60 H VAL 60 -14.915 13.818 -4.705 471 HA VAL 60 HA VAL 60 -15.690 15.238 -7.113 472 HB VAL 60 HB VAL 60 -15.660 12.716 -6.989 473 HG11 VAL 60 HG11 VAL 60 -18.149 13.007 -5.283 474 HG12 VAL 60 HG12 VAL 60 -16.589 12.387 -4.749 475 HG13 VAL 60 HG13 VAL 60 -17.521 11.494 -5.948 476 HG21 VAL 60 HG21 VAL 60 -18.341 13.911 -7.779 477 HG22 VAL 60 HG22 VAL 60 -17.710 12.352 -8.316 478 HG23 VAL 60 HG23 VAL 60 -16.901 13.848 -8.789 479 H GLN 61 H GLN 61 -17.655 16.322 -7.437 480 HA GLN 61 HA GLN 61 -18.787 17.634 -5.144 481 HB2 GLN 61 HB2 GLN 61 -20.169 18.863 -6.788 482 HB3 GLN 61 HB3 GLN 61 -18.471 18.853 -7.243 483 HG2 GLN 61 HG2 GLN 61 -18.920 17.101 -8.923 484 HG3 GLN 61 HG3 GLN 61 -20.624 17.093 -8.468 485 HE21 GLN 61 HE21 GLN 61 -21.922 18.893 -9.036 486 HE22 GLN 61 HE22 GLN 61 -21.430 20.014 -10.257 487 H ASP 62 H ASP 62 -19.458 14.675 -6.616 488 HA ASP 62 HA ASP 62 -22.246 14.410 -6.535 489 HB2 ASP 62 HB2 ASP 62 -20.840 12.792 -7.705 490 HB3 ASP 62 HB3 ASP 62 -20.043 12.328 -6.207 491 H VAL 63 H VAL 63 -19.816 13.993 -3.960 492 HA VAL 63 HA VAL 63 -21.663 12.926 -2.024 493 HB VAL 63 HB VAL 63 -19.141 12.549 -1.977 494 HG11 VAL 63 HG11 VAL 63 -19.037 15.349 -0.783 495 HG12 VAL 63 HG12 VAL 63 -18.390 14.886 -2.359 496 HG13 VAL 63 HG13 VAL 63 -17.687 14.213 -0.885 497 HG21 VAL 63 HG21 VAL 63 -20.536 11.923 -0.063 498 HG22 VAL 63 HG22 VAL 63 -20.440 13.561 0.585 499 HG23 VAL 63 HG23 VAL 63 -18.988 12.558 0.511 500 H VAL 64 H VAL 64 -22.537 13.983 -0.211 501 HA VAL 64 HA VAL 64 -22.835 16.899 -0.468 502 HB VAL 64 HB VAL 64 -24.962 16.566 0.846 503 HG11 VAL 64 HG11 VAL 64 -26.291 15.814 -1.104 504 HG12 VAL 64 HG12 VAL 64 -24.823 15.194 -1.864 505 HG13 VAL 64 HG13 VAL 64 -25.009 16.928 -1.586 506 HG21 VAL 64 HG21 VAL 64 -24.527 13.627 0.238 507 HG22 VAL 64 HG22 VAL 64 -26.021 14.325 0.878 508 HG23 VAL 64 HG23 VAL 64 -24.540 14.371 1.838 509 H LEU 65 H LEU 65 -20.913 17.254 0.585 510 HA LEU 65 HA LEU 65 -20.937 16.988 3.550 511 HB2 LEU 65 HB2 LEU 65 -18.583 17.282 1.622 512 HB3 LEU 65 HB3 LEU 65 -18.427 17.393 3.368 513 HG LEU 65 HG LEU 65 -19.391 14.887 1.921 514 HD11 LEU 65 HD11 LEU 65 -17.071 15.343 1.267 515 HD12 LEU 65 HD12 LEU 65 -17.156 13.942 2.331 516 HD13 LEU 65 HD13 LEU 65 -16.598 15.495 2.964 517 HD21 LEU 65 HD21 LEU 65 -20.165 15.031 4.232 518 HD22 LEU 65 HD22 LEU 65 -18.521 15.347 4.794 519 HD23 LEU 65 HD23 LEU 65 -18.926 13.779 4.085 520 H THR 66 H THR 66 -20.016 18.938 4.670 521 HA THR 66 HA THR 66 -20.920 21.427 3.553 522 HB THR 66 HB THR 66 -19.936 22.508 5.540 523 HG1 THR 66 HG1 THR 66 -18.694 21.284 7.004 524 HG21 THR 66 HG21 THR 66 -21.321 19.887 6.296 525 HG22 THR 66 HG22 THR 66 -22.134 21.399 5.873 526 HG23 THR 66 HG23 THR 66 -21.152 21.307 7.333 527 H ALA 67 H ALA 67 -19.572 23.258 3.014 528 HA ALA 67 HA ALA 67 -17.412 22.818 1.313 529 HB1 ALA 67 HB1 ALA 67 -17.010 25.250 1.461 530 HB2 ALA 67 HB2 ALA 67 -18.055 25.343 2.883 531 HB3 ALA 67 HB3 ALA 67 -18.737 24.893 1.317 532 H ASP 68 H ASP 68 -17.415 23.767 4.723 533 HA ASP 68 HA ASP 68 -14.766 23.842 5.424 534 HB2 ASP 68 HB2 ASP 68 -16.468 24.304 7.080 535 HB3 ASP 68 HB3 ASP 68 -17.107 22.670 6.968 536 H GLN 69 H GLN 69 -16.750 20.875 5.390 537 HA GLN 69 HA GLN 69 -14.700 19.078 6.223 538 HB2 GLN 69 HB2 GLN 69 -17.358 18.598 4.827 539 HB3 GLN 69 HB3 GLN 69 -16.282 17.275 5.276 540 HG2 GLN 69 HG2 GLN 69 -16.419 17.930 7.635 541 HG3 GLN 69 HG3 GLN 69 -17.476 19.278 7.216 542 HE21 GLN 69 HE21 GLN 69 -19.611 18.858 6.644 543 HE22 GLN 69 HE22 GLN 69 -20.367 17.333 6.937 544 H LYS 70 H LYS 70 -15.981 19.839 3.018 545 HA LYS 70 HA LYS 70 -14.313 18.143 1.486 546 HB2 LYS 70 HB2 LYS 70 -16.004 20.577 0.859 547 HB3 LYS 70 HB3 LYS 70 -15.018 19.823 -0.393 548 HG2 LYS 70 HG2 LYS 70 -16.223 17.742 -0.195 549 HG3 LYS 70 HG3 LYS 70 -17.092 18.325 1.227 550 HD2 LYS 70 HD2 LYS 70 -18.396 19.855 -0.043 551 HD3 LYS 70 HD3 LYS 70 -17.344 19.725 -1.461 552 HE2 LYS 70 HE2 LYS 70 -18.117 17.367 -1.743 553 HE3 LYS 70 HE3 LYS 70 -19.212 17.586 -0.376 554 HZ1 LYS 70 HZ1 LYS 70 -19.289 19.051 -2.955 555 HZ2 LYS 70 HZ2 LYS 70 -20.284 19.376 -1.629 556 HZ3 LYS 70 HZ3 LYS 70 -20.386 17.882 -2.411 557 H ALA 71 H ALA 71 -13.641 21.147 3.052 558 HA ALA 71 HA ALA 71 -11.501 21.976 1.194 559 HB1 ALA 71 HB1 ALA 71 -12.921 23.761 2.156 560 HB2 ALA 71 HB2 ALA 71 -11.246 23.941 2.677 561 HB3 ALA 71 HB3 ALA 71 -12.449 23.275 3.787 562 H THR 72 H THR 72 -11.943 21.204 4.594 563 HA THR 72 HA THR 72 -9.415 20.761 5.536 564 HB THR 72 HB THR 72 -11.714 18.888 6.269 565 HG1 THR 72 HG1 THR 72 -12.710 20.601 6.989 566 HG21 THR 72 HG21 THR 72 -9.502 18.349 7.275 567 HG22 THR 72 HG22 THR 72 -10.663 18.884 8.494 568 HG23 THR 72 HG23 THR 72 -9.412 19.989 7.918 569 H TRP 73 H TRP 73 -11.394 18.383 3.749 570 HA TRP 73 HA TRP 73 -9.417 16.348 3.565 571 HB2 TRP 73 HB2 TRP 73 -12.009 16.886 2.116 572 HB3 TRP 73 HB3 TRP 73 -10.924 15.652 1.496 573 HD1 TRP 73 HD1 TRP 73 -13.566 16.177 4.141 574 HE1 TRP 73 HE1 TRP 73 -13.845 14.009 5.490 575 HE3 TRP 73 HE3 TRP 73 -9.428 13.620 2.504 576 HZ2 TRP 73 HZ2 TRP 73 -12.505 11.556 5.834 577 HZ3 TRP 73 HZ3 TRP 73 -9.009 11.360 3.412 578 HH2 TRP 73 HH2 TRP 73 -10.519 10.356 5.036 579 H ALA 74 H ALA 74 -10.274 19.062 1.400 580 HA ALA 74 HA ALA 74 -8.563 18.316 -0.767 581 HB1 ALA 74 HB1 ALA 74 -10.522 19.780 -1.064 582 HB2 ALA 74 HB2 ALA 74 -9.055 20.561 -1.659 583 HB3 ALA 74 HB3 ALA 74 -9.744 21.033 -0.099 584 H LYS 75 H LYS 75 -8.028 20.025 2.206 585 HA LYS 75 HA LYS 75 -5.500 21.243 1.449 586 HB2 LYS 75 HB2 LYS 75 -7.081 21.074 4.045 587 HB3 LYS 75 HB3 LYS 75 -5.432 21.699 4.023 588 HG2 LYS 75 HG2 LYS 75 -6.097 23.468 2.457 589 HG3 LYS 75 HG3 LYS 75 -7.745 22.841 2.419 590 HD2 LYS 75 HD2 LYS 75 -6.388 23.867 4.940 591 HD3 LYS 75 HD3 LYS 75 -7.386 24.870 3.889 592 HE2 LYS 75 HE2 LYS 75 -9.318 23.370 4.328 593 HE3 LYS 75 HE3 LYS 75 -8.308 22.400 5.398 594 HZ1 LYS 75 HZ1 LYS 75 -8.014 24.352 6.800 595 HZ2 LYS 75 HZ2 LYS 75 -9.636 23.914 6.656 596 HZ3 LYS 75 HZ3 LYS 75 -9.039 25.242 5.796 597 H TYR 76 H TYR 76 -6.661 18.473 3.344 598 HA TYR 76 HA TYR 76 -4.219 17.307 4.091 599 HB2 TYR 76 HB2 TYR 76 -6.167 16.399 5.097 600 HB3 TYR 76 HB3 TYR 76 -7.014 16.251 3.561 601 HD1 TYR 76 HD1 TYR 76 -3.755 14.897 4.929 602 HD2 TYR 76 HD2 TYR 76 -7.497 14.029 3.077 603 HE1 TYR 76 HE1 TYR 76 -3.149 12.528 4.794 604 HE2 TYR 76 HE2 TYR 76 -6.895 11.659 2.965 605 HH TYR 76 HH TYR 76 -4.206 10.346 4.582 606 H ARG 77 H ARG 77 -6.090 17.066 1.095 607 HA ARG 77 HA ARG 77 -4.514 15.197 -0.303 608 HB2 ARG 77 HB2 ARG 77 -6.296 17.458 -1.285 609 HB3 ARG 77 HB3 ARG 77 -5.522 16.318 -2.378 610 HG2 ARG 77 HG2 ARG 77 -7.367 15.421 -0.159 611 HG3 ARG 77 HG3 ARG 77 -7.949 15.877 -1.758 612 HD2 ARG 77 HD2 ARG 77 -7.728 13.468 -1.646 613 HD3 ARG 77 HD3 ARG 77 -6.517 14.115 -2.754 614 HE ARG 77 HE ARG 77 -4.834 13.613 -1.219 615 HH11 ARG 77 HH11 ARG 77 -7.927 12.593 0.013 616 HH12 ARG 77 HH12 ARG 77 -7.250 11.454 1.123 617 HH21 ARG 77 HH21 ARG 77 -3.952 12.156 0.247 618 HH22 ARG 77 HH22 ARG 77 -4.990 11.221 1.272 619 H GLN 78 H GLN 78 -4.527 18.764 -0.546 620 HA GLN 78 HA GLN 78 -2.367 19.030 -2.267 621 HB2 GLN 78 HB2 GLN 78 -4.001 20.812 -1.865 622 HB3 GLN 78 HB3 GLN 78 -3.439 20.998 -0.208 623 HG2 GLN 78 HG2 GLN 78 -2.576 22.793 -1.635 624 HG3 GLN 78 HG3 GLN 78 -1.261 21.801 -1.014 625 HE21 GLN 78 HE21 GLN 78 -3.381 20.995 -3.773 626 HE22 GLN 78 HE22 GLN 78 -2.136 21.074 -4.966 627 H ALA 79 H ALA 79 -2.458 18.787 1.223 628 HA ALA 79 HA ALA 79 0.235 19.503 1.784 629 HB1 ALA 79 HB1 ALA 79 -1.499 19.509 3.512 630 HB2 ALA 79 HB2 ALA 79 -0.156 18.465 3.985 631 HB3 ALA 79 HB3 ALA 79 -1.661 17.757 3.386 632 H LEU 80 H LEU 80 -1.301 16.251 1.772 633 HA LEU 80 HA LEU 80 0.891 14.653 1.987 634 HB2 LEU 80 HB2 LEU 80 -1.673 14.228 2.006 635 HB3 LEU 80 HB3 LEU 80 -1.519 13.982 0.278 636 HG LEU 80 HG LEU 80 -0.077 12.309 2.384 637 HD11 LEU 80 HD11 LEU 80 -2.599 11.672 0.830 638 HD12 LEU 80 HD12 LEU 80 -2.492 12.029 2.561 639 HD13 LEU 80 HD13 LEU 80 -1.727 10.584 1.921 640 HD21 LEU 80 HD21 LEU 80 0.302 10.697 0.562 641 HD22 LEU 80 HD22 LEU 80 1.070 12.242 0.216 642 HD23 LEU 80 HD23 LEU 80 -0.442 11.815 -0.589 643 H ARG 81 H ARG 81 -0.551 15.890 -1.043 644 HA ARG 81 HA ARG 81 0.978 14.295 -2.816 645 HB2 ARG 81 HB2 ARG 81 0.014 15.551 -4.594 646 HB3 ARG 81 HB3 ARG 81 -1.215 15.436 -3.340 647 HG2 ARG 81 HG2 ARG 81 -0.625 17.755 -2.605 648 HG3 ARG 81 HG3 ARG 81 0.506 17.864 -3.958 649 HD2 ARG 81 HD2 ARG 81 -2.500 17.463 -4.141 650 HD3 ARG 81 HD3 ARG 81 -1.622 18.954 -4.491 651 HE ARG 81 HE ARG 81 -0.476 17.259 -6.218 652 HH11 ARG 81 HH11 ARG 81 -3.873 17.853 -5.539 653 HH12 ARG 81 HH12 ARG 81 -4.381 17.484 -7.155 654 HH21 ARG 81 HH21 ARG 81 -1.155 16.767 -8.315 655 HH22 ARG 81 HH22 ARG 81 -2.833 16.886 -8.735 656 H ASP 82 H ASP 82 1.708 17.251 -1.176 657 HA ASP 82 HA ASP 82 3.668 18.456 -2.771 658 HB2 ASP 82 HB2 ASP 82 2.620 19.490 -0.765 659 HB3 ASP 82 HB3 ASP 82 3.478 18.359 0.275 660 H LEU 83 H LEU 83 3.861 15.658 -0.655 661 HA LEU 83 HA LEU 83 6.657 15.322 -0.532 662 HB2 LEU 83 HB2 LEU 83 4.317 13.430 -0.219 663 HB3 LEU 83 HB3 LEU 83 5.948 12.792 -0.233 664 HG LEU 83 HG LEU 83 5.117 13.064 2.061 665 HD11 LEU 83 HD11 LEU 83 7.505 13.245 1.721 666 HD12 LEU 83 HD12 LEU 83 6.997 14.315 3.024 667 HD13 LEU 83 HD13 LEU 83 7.376 14.982 1.431 668 HD21 LEU 83 HD21 LEU 83 4.666 15.257 3.055 669 HD22 LEU 83 HD22 LEU 83 3.562 14.941 1.717 670 HD23 LEU 83 HD23 LEU 83 4.921 16.046 1.494 671 HA PRO 84 HA PRO 84 7.698 14.661 -4.697 672 HB2 PRO 84 HB2 PRO 84 10.004 13.181 -4.545 673 HB3 PRO 84 HB3 PRO 84 9.907 14.874 -4.041 674 HG2 PRO 84 HG2 PRO 84 9.683 12.386 -2.334 675 HG3 PRO 84 HG3 PRO 84 10.696 13.822 -2.064 676 HD2 PRO 84 HD2 PRO 84 8.358 13.540 -0.780 677 HD3 PRO 84 HD3 PRO 84 8.862 15.139 -1.381 678 H GLU 85 H GLU 85 7.492 13.342 -6.481 679 HA GLU 85 HA GLU 85 6.472 10.630 -6.226 680 HB2 GLU 85 HB2 GLU 85 6.265 10.690 -8.675 681 HB3 GLU 85 HB3 GLU 85 5.592 12.157 -7.973 682 HG2 GLU 85 HG2 GLU 85 7.657 13.388 -8.553 683 HG3 GLU 85 HG3 GLU 85 8.325 11.925 -9.275 684 H THR 86 H THR 86 9.530 12.008 -6.262 685 HA THR 86 HA THR 86 10.811 9.431 -6.907 686 HB THR 86 HB THR 86 12.792 10.886 -7.821 687 HG1 THR 86 HG1 THR 86 10.630 12.732 -8.028 688 HG21 THR 86 HG21 THR 86 10.256 10.659 -9.477 689 HG22 THR 86 HG22 THR 86 11.489 9.410 -9.293 690 HG23 THR 86 HG23 THR 86 11.886 10.921 -10.112 691 H VAL 87 H VAL 87 11.779 8.730 -5.134 692 HA VAL 87 HA VAL 87 12.448 10.481 -2.926 693 HB VAL 87 HB VAL 87 11.443 8.291 -2.453 694 HG11 VAL 87 HG11 VAL 87 13.953 7.018 -3.606 695 HG12 VAL 87 HG12 VAL 87 12.343 6.972 -4.325 696 HG13 VAL 87 HG13 VAL 87 12.641 6.159 -2.788 697 HG21 VAL 87 HG21 VAL 87 12.888 9.270 -0.711 698 HG22 VAL 87 HG22 VAL 87 14.291 8.439 -1.387 699 HG23 VAL 87 HG23 VAL 87 12.973 7.506 -0.673 700 H THR 88 H THR 88 14.491 10.900 -2.099 701 HA THR 88 HA THR 88 16.763 10.858 -3.892 702 HB THR 88 HB THR 88 17.905 12.050 -1.986 703 HG1 THR 88 HG1 THR 88 17.066 11.934 -0.065 704 HG21 THR 88 HG21 THR 88 16.524 14.102 -2.050 705 HG22 THR 88 HG22 THR 88 15.158 13.180 -2.684 706 HG23 THR 88 HG23 THR 88 16.623 13.369 -3.653 707 H ASP 89 H ASP 89 18.888 10.442 -2.084 708 HA ASP 89 HA ASP 89 19.402 7.717 -2.315 709 HB2 ASP 89 HB2 ASP 89 20.690 9.756 -0.444 710 HB3 ASP 89 HB3 ASP 89 21.370 8.170 -0.823 711 H LEU 90 H LEU 90 18.228 9.535 0.487 712 HA LEU 90 HA LEU 90 16.985 7.192 1.642 713 HB2 LEU 90 HB2 LEU 90 19.228 7.010 2.624 714 HB3 LEU 90 HB3 LEU 90 19.171 8.682 3.150 715 HG LEU 90 HG LEU 90 17.339 8.110 4.755 716 HD11 LEU 90 HD11 LEU 90 17.750 5.244 3.857 717 HD12 LEU 90 HD12 LEU 90 16.316 6.239 3.580 718 HD13 LEU 90 HD13 LEU 90 16.758 5.767 5.219 719 HD21 LEU 90 HD21 LEU 90 19.680 8.082 5.524 720 HD22 LEU 90 HD22 LEU 90 19.803 6.370 5.114 721 HD23 LEU 90 HD23 LEU 90 18.699 6.897 6.385 722 H SER 91 H SER 91 15.010 8.006 1.846 723 HA SER 91 HA SER 91 14.442 10.165 3.633 724 HB2 SER 91 HB2 SER 91 14.966 11.487 1.573 725 HB3 SER 91 HB3 SER 91 13.735 10.586 0.685 726 HG SER 91 HG SER 91 13.302 12.262 2.945 727 H GLN 92 H GLN 92 13.123 8.736 4.756 728 HA GLN 92 HA GLN 92 10.928 7.341 3.526 729 HB2 GLN 92 HB2 GLN 92 11.404 8.105 6.440 730 HB3 GLN 92 HB3 GLN 92 10.124 7.035 5.874 731 HG2 GLN 92 HG2 GLN 92 11.832 5.441 5.053 732 HG3 GLN 92 HG3 GLN 92 13.104 6.512 5.637 733 HE21 GLN 92 HE21 GLN 92 13.944 4.973 7.038 734 HE22 GLN 92 HE22 GLN 92 13.131 4.462 8.474 735 H ILE 93 H ILE 93 9.179 8.280 2.775 736 HA ILE 93 HA ILE 93 8.572 11.004 2.942 737 HB ILE 93 HB ILE 93 6.158 10.078 2.121 738 HG12 ILE 93 HG12 ILE 93 6.382 7.976 0.818 739 HG13 ILE 93 HG13 ILE 93 8.007 7.733 1.437 740 HG21 ILE 93 HG21 ILE 93 6.994 10.163 -0.199 741 HG22 ILE 93 HG22 ILE 93 8.658 10.055 0.384 742 HG23 ILE 93 HG23 ILE 93 7.675 11.466 0.781 743 HD11 ILE 93 HD11 ILE 93 5.464 7.652 3.047 744 HD12 ILE 93 HD12 ILE 93 7.093 7.332 3.652 745 HD13 ILE 93 HD13 ILE 93 6.375 6.263 2.447 746 H VAL 94 H VAL 94 7.818 12.169 4.635 747 HA VAL 94 HA VAL 94 5.854 10.919 6.478 748 HB VAL 94 HB VAL 94 7.795 11.771 7.665 749 HG11 VAL 94 HG11 VAL 94 7.321 14.484 6.380 750 HG12 VAL 94 HG12 VAL 94 8.678 13.402 6.068 751 HG13 VAL 94 HG13 VAL 94 8.497 14.151 7.658 752 HG21 VAL 94 HG21 VAL 94 6.727 13.322 9.255 753 HG22 VAL 94 HG22 VAL 94 5.617 12.030 8.790 754 HG23 VAL 94 HG23 VAL 94 5.439 13.644 8.093 755 H TRP 95 H TRP 95 3.810 11.380 5.970 756 HA TRP 95 HA TRP 95 3.066 14.017 4.938 757 HB2 TRP 95 HB2 TRP 95 1.469 12.757 3.315 758 HB3 TRP 95 HB3 TRP 95 3.161 12.887 2.875 759 HD1 TRP 95 HD1 TRP 95 1.667 10.128 5.205 760 HE1 TRP 95 HE1 TRP 95 2.109 7.857 4.092 761 HE3 TRP 95 HE3 TRP 95 3.693 11.734 0.809 762 HZ2 TRP 95 HZ2 TRP 95 3.127 6.877 1.693 763 HZ3 TRP 95 HZ3 TRP 95 4.363 10.057 -0.853 764 HH2 TRP 95 HH2 TRP 95 4.083 7.667 -0.419 765 HA PRO 96 HA PRO 96 -0.099 13.956 7.935 766 HB2 PRO 96 HB2 PRO 96 -2.360 14.913 6.634 767 HB3 PRO 96 HB3 PRO 96 -1.004 15.926 7.147 768 HG2 PRO 96 HG2 PRO 96 -1.542 14.710 4.438 769 HG3 PRO 96 HG3 PRO 96 -1.047 16.371 4.838 770 HD2 PRO 96 HD2 PRO 96 0.759 14.596 3.979 771 HD3 PRO 96 HD3 PRO 96 1.179 15.736 5.280 772 H GLN 97 H GLN 97 -1.731 12.841 8.844 773 HA GLN 97 HA GLN 97 -2.853 10.453 7.591 774 HB2 GLN 97 HB2 GLN 97 -2.141 10.465 9.997 775 HB3 GLN 97 HB3 GLN 97 -3.386 11.659 10.346 776 HG2 GLN 97 HG2 GLN 97 -5.130 10.010 9.715 777 HG3 GLN 97 HG3 GLN 97 -3.870 8.825 9.367 778 HE21 GLN 97 HE21 GLN 97 -5.541 10.576 11.898 779 HE22 GLN 97 HE22 GLN 97 -4.994 9.580 13.199 780 H LEU 98 H LEU 98 -5.200 10.164 7.360 781 HA LEU 98 HA LEU 98 -6.567 12.310 6.222 782 HB2 LEU 98 HB2 LEU 98 -8.672 10.704 6.594 783 HB3 LEU 98 HB3 LEU 98 -7.435 10.364 5.403 784 HG LEU 98 HG LEU 98 -6.366 8.814 7.083 785 HD11 LEU 98 HD11 LEU 98 -7.365 9.608 9.155 786 HD12 LEU 98 HD12 LEU 98 -7.734 7.902 8.905 787 HD13 LEU 98 HD13 LEU 98 -8.968 9.125 8.587 788 HD21 LEU 98 HD21 LEU 98 -7.902 6.954 6.624 789 HD22 LEU 98 HD22 LEU 98 -7.665 7.972 5.204 790 HD23 LEU 98 HD23 LEU 98 -9.152 8.109 6.145 791 HA PRO 99 HA PRO 99 -7.733 14.836 9.543 792 HB2 PRO 99 HB2 PRO 99 -9.770 16.302 8.480 793 HB3 PRO 99 HB3 PRO 99 -8.100 16.426 7.903 794 HG2 PRO 99 HG2 PRO 99 -10.380 14.814 6.741 795 HG3 PRO 99 HG3 PRO 99 -9.234 15.883 5.901 796 HD2 PRO 99 HD2 PRO 99 -8.903 13.188 5.949 797 HD3 PRO 99 HD3 PRO 99 -7.520 14.304 5.965 798 H VAL 100 H VAL 100 -10.265 12.759 8.317 799 HA VAL 100 HA VAL 100 -12.016 13.092 10.613 800 HB VAL 100 HB VAL 100 -12.123 11.137 8.265 801 HG11 VAL 100 HG11 VAL 100 -14.199 11.549 10.454 802 HG12 VAL 100 HG12 VAL 100 -13.228 10.099 10.210 803 HG13 VAL 100 HG13 VAL 100 -14.427 10.564 9.005 804 HG21 VAL 100 HG21 VAL 100 -12.530 13.495 7.635 805 HG22 VAL 100 HG22 VAL 100 -13.794 13.611 8.860 806 HG23 VAL 100 HG23 VAL 100 -14.005 12.536 7.477 Start of MODEL 10 1 H MET 1 H MET 1 5.487 -6.143 6.974 2 HA MET 1 HA MET 1 6.098 -4.964 5.000 3 HB2 MET 1 HB2 MET 1 7.594 -3.283 6.107 4 HB3 MET 1 HB3 MET 1 8.770 -4.549 6.425 5 HG2 MET 1 HG2 MET 1 7.939 -3.675 3.637 6 HG3 MET 1 HG3 MET 1 9.350 -3.057 4.494 7 HE1 MET 1 HE1 MET 1 11.094 -3.799 2.552 8 HE2 MET 1 HE2 MET 1 9.616 -4.149 1.654 9 HE3 MET 1 HE3 MET 1 10.916 -5.341 1.716 10 H LEU 2 H LEU 2 6.069 -6.710 3.776 11 HA LEU 2 HA LEU 2 8.157 -8.806 4.021 12 HB2 LEU 2 HB2 LEU 2 6.506 -10.271 2.737 13 HB3 LEU 2 HB3 LEU 2 6.071 -9.874 4.386 14 HG LEU 2 HG LEU 2 4.550 -8.038 3.366 15 HD11 LEU 2 HD11 LEU 2 3.667 -8.460 1.109 16 HD12 LEU 2 HD12 LEU 2 4.915 -9.681 0.852 17 HD13 LEU 2 HD13 LEU 2 5.365 -7.990 1.081 18 HD21 LEU 2 HD21 LEU 2 2.692 -9.605 3.057 19 HD22 LEU 2 HD22 LEU 2 3.682 -10.053 4.443 20 HD23 LEU 2 HD23 LEU 2 3.833 -10.948 2.929 21 H LEU 3 H LEU 3 9.174 -9.521 2.032 22 HA LEU 3 HA LEU 3 9.576 -7.549 0.057 23 HB2 LEU 3 HB2 LEU 3 10.285 -10.497 -0.114 24 HB3 LEU 3 HB3 LEU 3 11.095 -9.159 -0.921 25 HG LEU 3 HG LEU 3 11.151 -9.773 2.065 26 HD11 LEU 3 HD11 LEU 3 12.467 -11.346 0.729 27 HD12 LEU 3 HD12 LEU 3 13.506 -10.315 1.709 28 HD13 LEU 3 HD13 LEU 3 13.340 -10.006 -0.019 29 HD21 LEU 3 HD21 LEU 3 11.255 -7.351 1.726 30 HD22 LEU 3 HD22 LEU 3 12.569 -7.543 0.564 31 HD23 LEU 3 HD23 LEU 3 12.817 -7.966 2.259 32 H HIS 4 H HIS 4 7.774 -7.064 -1.247 33 HA HIS 4 HA HIS 4 5.939 -8.432 -2.601 34 HB2 HIS 4 HB2 HIS 4 6.238 -6.056 -2.953 35 HB3 HIS 4 HB3 HIS 4 7.824 -6.294 -3.668 36 HD1 HIS 4 HD1 HIS 4 4.141 -6.734 -4.468 37 HD2 HIS 4 HD2 HIS 4 7.817 -6.681 -6.416 38 HE1 HIS 4 HE1 HIS 4 3.607 -6.706 -6.922 39 HE2 HIS 4 HE2 HIS 4 5.841 -6.854 -8.074 40 H SER 5 H SER 5 9.405 -8.632 -3.396 41 HA SER 5 HA SER 5 9.126 -11.123 -4.774 42 HB2 SER 5 HB2 SER 5 9.947 -10.315 -7.033 43 HB3 SER 5 HB3 SER 5 8.315 -9.774 -6.645 44 HG SER 5 HG SER 5 9.978 -8.202 -7.514 45 H VAL 6 H VAL 6 10.854 -12.065 -3.787 46 HA VAL 6 HA VAL 6 13.464 -10.688 -3.763 47 HB VAL 6 HB VAL 6 12.666 -11.622 -1.590 48 HG11 VAL 6 HG11 VAL 6 12.620 -14.054 -1.173 49 HG12 VAL 6 HG12 VAL 6 12.918 -14.354 -2.886 50 HG13 VAL 6 HG13 VAL 6 11.415 -13.582 -2.377 51 HG21 VAL 6 HG21 VAL 6 14.763 -12.773 -0.927 52 HG22 VAL 6 HG22 VAL 6 15.088 -11.359 -1.930 53 HG23 VAL 6 HG23 VAL 6 15.190 -12.977 -2.629 54 H GLU 7 H GLU 7 15.273 -11.576 -4.736 55 HA GLU 7 HA GLU 7 14.806 -13.585 -6.831 56 HB2 GLU 7 HB2 GLU 7 15.843 -11.312 -7.304 57 HB3 GLU 7 HB3 GLU 7 17.239 -11.799 -6.359 58 HG2 GLU 7 HG2 GLU 7 16.317 -13.311 -8.821 59 HG3 GLU 7 HG3 GLU 7 17.410 -11.937 -8.911 60 H THR 8 H THR 8 15.093 -15.601 -6.152 61 HA THR 8 HA THR 8 17.223 -16.337 -4.222 62 HB THR 8 HB THR 8 15.800 -18.307 -3.648 63 HG1 THR 8 HG1 THR 8 13.889 -17.114 -5.398 64 HG21 THR 8 HG21 THR 8 15.500 -16.261 -2.299 65 HG22 THR 8 HG22 THR 8 13.986 -17.151 -2.450 66 HG23 THR 8 HG23 THR 8 14.254 -15.702 -3.420 67 HA PRO 9 HA PRO 9 19.177 -19.031 -7.284 68 HB2 PRO 9 HB2 PRO 9 19.100 -21.270 -5.269 69 HB3 PRO 9 HB3 PRO 9 20.475 -20.603 -6.164 70 HG2 PRO 9 HG2 PRO 9 20.160 -20.012 -3.590 71 HG3 PRO 9 HG3 PRO 9 20.673 -18.750 -4.729 72 HD2 PRO 9 HD2 PRO 9 17.929 -19.242 -3.558 73 HD3 PRO 9 HD3 PRO 9 18.802 -17.707 -3.781 74 H ARG 10 H ARG 10 16.182 -19.981 -5.868 75 HA ARG 10 HA ARG 10 15.712 -22.166 -7.801 76 HB2 ARG 10 HB2 ARG 10 13.867 -22.854 -6.403 77 HB3 ARG 10 HB3 ARG 10 15.267 -22.572 -5.377 78 HG2 ARG 10 HG2 ARG 10 14.227 -20.237 -4.931 79 HG3 ARG 10 HG3 ARG 10 12.755 -20.903 -5.641 80 HD2 ARG 10 HD2 ARG 10 14.166 -21.722 -3.092 81 HD3 ARG 10 HD3 ARG 10 12.494 -21.197 -3.306 82 HE ARG 10 HE ARG 10 13.525 -23.802 -4.292 83 HH11 ARG 10 HH11 ARG 10 10.923 -21.970 -2.836 84 HH12 ARG 10 HH12 ARG 10 9.959 -23.365 -2.496 85 HH21 ARG 10 HH21 ARG 10 12.271 -25.635 -3.839 86 HH22 ARG 10 HH22 ARG 10 10.717 -25.454 -3.079 87 H GLY 11 H GLY 11 14.964 -18.849 -7.414 88 HA2 GLY 11 HA2 GLY 11 14.025 -18.248 -9.830 89 HA3 GLY 11 HA3 GLY 11 12.568 -18.930 -9.118 90 H GLU 12 H GLU 12 11.537 -16.889 -9.378 91 HA GLU 12 HA GLU 12 12.315 -14.806 -7.422 92 HB2 GLU 12 HB2 GLU 12 11.826 -13.994 -9.726 93 HB3 GLU 12 HB3 GLU 12 10.216 -14.700 -9.644 94 HG2 GLU 12 HG2 GLU 12 9.587 -13.141 -7.858 95 HG3 GLU 12 HG3 GLU 12 11.228 -12.500 -7.811 96 H ILE 13 H ILE 13 10.978 -14.404 -5.655 97 HA ILE 13 HA ILE 13 8.695 -16.255 -5.212 98 HB ILE 13 HB ILE 13 10.649 -15.389 -3.026 99 HG12 ILE 13 HG12 ILE 13 11.885 -16.839 -4.610 100 HG13 ILE 13 HG13 ILE 13 11.639 -17.655 -3.073 101 HG21 ILE 13 HG21 ILE 13 9.577 -17.191 -1.705 102 HG22 ILE 13 HG22 ILE 13 8.469 -17.504 -3.043 103 HG23 ILE 13 HG23 ILE 13 8.423 -15.952 -2.203 104 HD11 ILE 13 HD11 ILE 13 10.078 -18.148 -5.608 105 HD12 ILE 13 HD12 ILE 13 9.847 -18.983 -4.068 106 HD13 ILE 13 HD13 ILE 13 11.363 -19.160 -4.949 107 H LEU 14 H LEU 14 6.866 -15.194 -4.611 108 HA LEU 14 HA LEU 14 6.998 -12.246 -4.504 109 HB2 LEU 14 HB2 LEU 14 4.640 -14.054 -5.167 110 HB3 LEU 14 HB3 LEU 14 4.688 -12.302 -5.328 111 HG LEU 14 HG LEU 14 6.327 -14.280 -6.972 112 HD11 LEU 14 HD11 LEU 14 3.960 -14.330 -7.566 113 HD12 LEU 14 HD12 LEU 14 4.908 -13.584 -8.851 114 HD13 LEU 14 HD13 LEU 14 3.945 -12.574 -7.768 115 HD21 LEU 14 HD21 LEU 14 6.178 -11.251 -7.187 116 HD22 LEU 14 HD22 LEU 14 7.016 -12.326 -8.312 117 HD23 LEU 14 HD23 LEU 14 7.570 -12.197 -6.646 118 H ASN 15 H ASN 15 5.801 -11.053 -3.063 119 HA ASN 15 HA ASN 15 5.066 -10.392 -1.040 120 HB2 ASN 15 HB2 ASN 15 2.750 -11.063 -0.519 121 HB3 ASN 15 HB3 ASN 15 2.963 -10.744 -2.237 122 HD21 ASN 15 HD21 ASN 15 2.835 -12.481 -3.712 123 HD22 ASN 15 HD22 ASN 15 2.136 -14.001 -3.281 124 H VAL 16 H VAL 16 7.124 -11.906 -0.526 125 HA VAL 16 HA VAL 16 6.411 -13.913 1.533 126 HB VAL 16 HB VAL 16 7.536 -14.849 -0.463 127 HG11 VAL 16 HG11 VAL 16 9.854 -14.249 -1.087 128 HG12 VAL 16 HG12 VAL 16 9.872 -12.992 0.151 129 HG13 VAL 16 HG13 VAL 16 8.777 -12.854 -1.227 130 HG21 VAL 16 HG21 VAL 16 7.991 -15.926 1.708 131 HG22 VAL 16 HG22 VAL 16 9.387 -14.871 1.942 132 HG23 VAL 16 HG23 VAL 16 9.387 -16.052 0.632 133 H SER 17 H SER 17 7.299 -13.712 3.545 134 HA SER 17 HA SER 17 8.614 -11.394 4.524 135 HB2 SER 17 HB2 SER 17 7.369 -12.824 6.053 136 HB3 SER 17 HB3 SER 17 8.348 -14.226 5.628 137 HG SER 17 HG SER 17 9.100 -13.468 7.554 138 H GLU 18 H GLU 18 10.847 -11.100 5.050 139 HA GLU 18 HA GLU 18 12.752 -12.492 3.392 140 HB2 GLU 18 HB2 GLU 18 14.441 -11.013 4.840 141 HB3 GLU 18 HB3 GLU 18 13.509 -10.348 3.521 142 HG2 GLU 18 HG2 GLU 18 13.558 -8.821 5.349 143 HG3 GLU 18 HG3 GLU 18 11.911 -9.403 5.100 144 H GLN 19 H GLN 19 11.716 -12.767 6.691 145 HA GLN 19 HA GLN 19 13.733 -14.521 7.635 146 HB2 GLN 19 HB2 GLN 19 10.775 -14.433 8.367 147 HB3 GLN 19 HB3 GLN 19 12.006 -15.327 9.255 148 HG2 GLN 19 HG2 GLN 19 11.810 -12.316 8.963 149 HG3 GLN 19 HG3 GLN 19 11.481 -13.259 10.413 150 HE21 GLN 19 HE21 GLN 19 13.270 -14.197 11.541 151 HE22 GLN 19 HE22 GLN 19 14.874 -13.587 11.334 152 H GLU 20 H GLU 20 10.629 -15.113 6.027 153 HA GLU 20 HA GLU 20 10.739 -17.923 5.812 154 HB2 GLU 20 HB2 GLU 20 8.774 -16.196 5.411 155 HB3 GLU 20 HB3 GLU 20 9.351 -16.162 3.760 156 HG2 GLU 20 HG2 GLU 20 7.588 -17.711 3.751 157 HG3 GLU 20 HG3 GLU 20 9.045 -18.711 3.752 158 H ALA 21 H ALA 21 11.522 -15.371 3.514 159 HA ALA 21 HA ALA 21 12.435 -16.647 1.307 160 HB1 ALA 21 HB1 ALA 21 13.613 -14.111 2.478 161 HB2 ALA 21 HB2 ALA 21 12.174 -14.210 1.462 162 HB3 ALA 21 HB3 ALA 21 13.755 -14.631 0.795 163 H ARG 22 H ARG 22 14.555 -15.745 4.101 164 HA ARG 22 HA ARG 22 16.864 -16.969 2.874 165 HB2 ARG 22 HB2 ARG 22 16.525 -15.909 5.712 166 HB3 ARG 22 HB3 ARG 22 18.053 -16.440 5.003 167 HG2 ARG 22 HG2 ARG 22 17.559 -14.655 3.161 168 HG3 ARG 22 HG3 ARG 22 16.398 -14.006 4.320 169 HD2 ARG 22 HD2 ARG 22 19.390 -14.322 4.730 170 HD3 ARG 22 HD3 ARG 22 18.517 -12.812 4.454 171 HE ARG 22 HE ARG 22 17.350 -13.400 6.642 172 HH11 ARG 22 HH11 ARG 22 20.646 -14.442 6.067 173 HH12 ARG 22 HH12 ARG 22 21.133 -14.188 7.713 174 HH21 ARG 22 HH21 ARG 22 17.992 -13.110 8.791 175 HH22 ARG 22 HH22 ARG 22 19.631 -13.451 9.252 176 H ASP 23 H ASP 23 14.447 -18.048 5.193 177 HA ASP 23 HA ASP 23 15.980 -20.285 6.205 178 HB2 ASP 23 HB2 ASP 23 14.321 -19.211 7.642 179 HB3 ASP 23 HB3 ASP 23 13.040 -19.516 6.471 180 H VAL 24 H VAL 24 12.949 -20.106 4.351 181 HA VAL 24 HA VAL 24 13.000 -22.882 3.568 182 HB VAL 24 HB VAL 24 11.111 -20.598 2.800 183 HG11 VAL 24 HG11 VAL 24 9.542 -22.360 2.018 184 HG12 VAL 24 HG12 VAL 24 10.783 -23.585 2.282 185 HG13 VAL 24 HG13 VAL 24 11.022 -22.334 1.056 186 HG21 VAL 24 HG21 VAL 24 11.054 -21.131 5.198 187 HG22 VAL 24 HG22 VAL 24 10.762 -22.834 4.832 188 HG23 VAL 24 HG23 VAL 24 9.550 -21.622 4.413 189 H PHE 25 H PHE 25 13.035 -19.792 1.756 190 HA PHE 25 HA PHE 25 13.369 -21.178 -0.779 191 HB2 PHE 25 HB2 PHE 25 13.166 -18.192 -0.198 192 HB3 PHE 25 HB3 PHE 25 13.016 -18.953 -1.784 193 HD1 PHE 25 HD2 PHE 25 11.087 -20.625 -2.150 194 HD2 PHE 25 HD1 PHE 25 11.230 -17.986 1.209 195 HE1 PHE 25 HE2 PHE 25 8.682 -20.965 -1.765 196 HE2 PHE 25 HE1 PHE 25 8.833 -18.350 1.588 197 HZ PHE 25 HZ PHE 25 7.559 -19.836 0.106 198 H GLY 26 H GLY 26 15.477 -19.916 1.530 199 HA2 GLY 26 HA2 GLY 26 17.748 -19.853 1.653 200 HA3 GLY 26 HA3 GLY 26 17.790 -20.721 0.128 201 H ALA 27 H ALA 27 16.597 -17.495 0.983 202 HA ALA 27 HA ALA 27 17.930 -16.240 -1.261 203 HB1 ALA 27 HB1 ALA 27 16.797 -14.194 -0.507 204 HB2 ALA 27 HB2 ALA 27 16.264 -15.013 0.966 205 HB3 ALA 27 HB3 ALA 27 15.662 -15.542 -0.605 206 H SER 28 H SER 28 19.530 -14.690 -1.145 207 HA SER 28 HA SER 28 21.376 -14.812 1.083 208 HB2 SER 28 HB2 SER 28 22.243 -14.775 -1.231 209 HB3 SER 28 HB3 SER 28 21.484 -13.207 -1.509 210 HG SER 28 HG SER 28 23.601 -13.832 0.284 211 H GLU 29 H GLU 29 22.201 -12.934 2.090 212 HA GLU 29 HA GLU 29 20.153 -11.200 3.165 213 HB2 GLU 29 HB2 GLU 29 23.178 -11.107 3.525 214 HB3 GLU 29 HB3 GLU 29 22.006 -10.222 4.506 215 HG2 GLU 29 HG2 GLU 29 21.070 -12.308 5.345 216 HG3 GLU 29 HG3 GLU 29 22.131 -13.246 4.291 217 H GLN 30 H GLN 30 22.522 -10.942 0.631 218 HA GLN 30 HA GLN 30 22.258 -8.086 0.175 219 HB2 GLN 30 HB2 GLN 30 23.395 -10.242 -1.658 220 HB3 GLN 30 HB3 GLN 30 23.603 -8.501 -1.854 221 HG2 GLN 30 HG2 GLN 30 24.700 -10.189 0.419 222 HG3 GLN 30 HG3 GLN 30 25.624 -9.552 -0.938 223 HE21 GLN 30 HE21 GLN 30 25.961 -9.132 1.972 224 HE22 GLN 30 HE22 GLN 30 25.910 -7.419 2.206 225 H ALA 31 H ALA 31 20.801 -11.061 -0.960 226 HA ALA 31 HA ALA 31 19.266 -9.957 -3.138 227 HB1 ALA 31 HB1 ALA 31 18.155 -12.162 -3.176 228 HB2 ALA 31 HB2 ALA 31 18.939 -12.595 -1.653 229 HB3 ALA 31 HB3 ALA 31 19.909 -12.347 -3.104 230 H ILE 32 H ILE 32 18.956 -9.971 0.321 231 HA ILE 32 HA ILE 32 16.044 -9.907 0.394 232 HB ILE 32 HB ILE 32 18.171 -9.608 2.565 233 HG12 ILE 32 HG12 ILE 32 17.896 -11.921 1.962 234 HG13 ILE 32 HG13 ILE 32 17.115 -11.685 3.512 235 HG21 ILE 32 HG21 ILE 32 16.344 -8.102 3.159 236 HG22 ILE 32 HG22 ILE 32 16.330 -9.503 4.233 237 HG23 ILE 32 HG23 ILE 32 15.155 -9.391 2.918 238 HD11 ILE 32 HD11 ILE 32 15.743 -11.943 0.843 239 HD12 ILE 32 HD12 ILE 32 14.941 -11.653 2.388 240 HD13 ILE 32 HD13 ILE 32 15.832 -13.149 2.126 241 H ALA 33 H ALA 33 18.776 -7.855 1.484 242 HA ALA 33 HA ALA 33 17.767 -5.399 1.656 243 HB1 ALA 33 HB1 ALA 33 20.123 -5.978 2.046 244 HB2 ALA 33 HB2 ALA 33 19.982 -4.519 1.067 245 HB3 ALA 33 HB3 ALA 33 20.402 -6.057 0.307 246 H ASP 34 H ASP 34 18.736 -6.814 -1.523 247 HA ASP 34 HA ASP 34 17.999 -4.630 -3.127 248 HB2 ASP 34 HB2 ASP 34 19.378 -6.602 -3.877 249 HB3 ASP 34 HB3 ASP 34 17.901 -7.567 -3.929 250 H ALA 35 H ALA 35 16.100 -7.538 -2.285 251 HA ALA 35 HA ALA 35 13.702 -6.842 -3.638 252 HB1 ALA 35 HB1 ALA 35 12.674 -8.627 -2.303 253 HB2 ALA 35 HB2 ALA 35 14.090 -8.653 -1.246 254 HB3 ALA 35 HB3 ALA 35 14.248 -9.128 -2.937 255 H ARG 36 H ARG 36 14.915 -6.138 -0.512 256 HA ARG 36 HA ARG 36 12.621 -5.061 0.752 257 HB2 ARG 36 HB2 ARG 36 14.635 -5.937 1.961 258 HB3 ARG 36 HB3 ARG 36 15.585 -4.589 1.362 259 HG2 ARG 36 HG2 ARG 36 13.123 -4.070 3.032 260 HG3 ARG 36 HG3 ARG 36 14.616 -4.574 3.813 261 HD2 ARG 36 HD2 ARG 36 15.776 -2.609 2.936 262 HD3 ARG 36 HD3 ARG 36 14.335 -2.133 2.027 263 HE ARG 36 HE ARG 36 13.960 -2.403 4.891 264 HH11 ARG 36 HH11 ARG 36 14.783 -0.150 2.315 265 HH12 ARG 36 HH12 ARG 36 14.307 1.228 3.245 266 HH21 ARG 36 HH21 ARG 36 13.319 -0.607 6.050 267 HH22 ARG 36 HH22 ARG 36 13.465 0.973 5.351 268 H LYS 37 H LYS 37 15.423 -3.678 -0.898 269 HA LYS 37 HA LYS 37 14.732 -0.978 -0.939 270 HB2 LYS 37 HB2 LYS 37 16.952 -1.705 -1.604 271 HB3 LYS 37 HB3 LYS 37 16.298 -2.701 -2.895 272 HG2 LYS 37 HG2 LYS 37 15.507 -0.533 -4.011 273 HG3 LYS 37 HG3 LYS 37 16.444 0.332 -2.792 274 HD2 LYS 37 HD2 LYS 37 17.741 0.114 -4.855 275 HD3 LYS 37 HD3 LYS 37 18.501 -0.822 -3.567 276 HE2 LYS 37 HE2 LYS 37 17.444 -2.889 -4.495 277 HE3 LYS 37 HE3 LYS 37 16.759 -1.929 -5.806 278 HZ1 LYS 37 HZ1 LYS 37 18.958 -1.427 -6.574 279 HZ2 LYS 37 HZ2 LYS 37 18.793 -3.102 -6.416 280 HZ3 LYS 37 HZ3 LYS 37 19.656 -2.228 -5.257 281 H ALA 38 H ALA 38 13.585 -3.686 -2.881 282 HA ALA 38 HA ALA 38 12.646 -2.068 -5.083 283 HB1 ALA 38 HB1 ALA 38 12.327 -5.042 -4.506 284 HB2 ALA 38 HB2 ALA 38 13.611 -4.312 -5.468 285 HB3 ALA 38 HB3 ALA 38 11.941 -4.238 -6.032 286 H THR 39 H THR 39 11.293 -3.865 -2.323 287 HA THR 39 HA THR 39 8.537 -3.542 -3.005 288 HB THR 39 HB THR 39 9.767 -4.165 -0.275 289 HG1 THR 39 HG1 THR 39 10.061 -5.613 -2.294 290 HG21 THR 39 HG21 THR 39 7.578 -5.171 0.248 291 HG22 THR 39 HG22 THR 39 6.954 -4.672 -1.321 292 HG23 THR 39 HG23 THR 39 7.391 -3.455 -0.117 293 H ILE 40 H ILE 40 10.745 -1.946 -0.712 294 HA ILE 40 HA ILE 40 8.989 0.015 0.280 295 HB ILE 40 HB ILE 40 12.033 -0.068 0.137 296 HG12 ILE 40 HG12 ILE 40 11.010 -1.752 1.632 297 HG13 ILE 40 HG13 ILE 40 11.885 -0.554 2.574 298 HG21 ILE 40 HG21 ILE 40 12.095 1.803 1.762 299 HG22 ILE 40 HG22 ILE 40 10.353 2.016 1.583 300 HG23 ILE 40 HG23 ILE 40 11.424 2.303 0.207 301 HD11 ILE 40 HD11 ILE 40 8.882 -0.668 2.217 302 HD12 ILE 40 HD12 ILE 40 9.766 0.526 3.175 303 HD13 ILE 40 HD13 ILE 40 9.795 -1.175 3.638 304 H LEU 41 H LEU 41 11.322 0.133 -2.426 305 HA LEU 41 HA LEU 41 10.951 2.762 -3.289 306 HB2 LEU 41 HB2 LEU 41 12.752 1.706 -4.284 307 HB3 LEU 41 HB3 LEU 41 11.891 0.221 -4.579 308 HG LEU 41 HG LEU 41 11.085 2.578 -6.278 309 HD11 LEU 41 HD11 LEU 41 13.547 2.785 -6.279 310 HD12 LEU 41 HD12 LEU 41 12.941 2.259 -7.848 311 HD13 LEU 41 HD13 LEU 41 13.692 1.089 -6.759 312 HD21 LEU 41 HD21 LEU 41 10.922 0.806 -8.023 313 HD22 LEU 41 HD22 LEU 41 9.965 0.425 -6.592 314 HD23 LEU 41 HD23 LEU 41 11.517 -0.381 -6.847 315 H GLN 42 H GLN 42 8.939 -0.092 -3.831 316 HA GLN 42 HA GLN 42 7.210 1.092 -5.815 317 HB2 GLN 42 HB2 GLN 42 7.665 -1.399 -5.536 318 HB3 GLN 42 HB3 GLN 42 6.759 -1.350 -4.027 319 HG2 GLN 42 HG2 GLN 42 4.768 -0.527 -5.416 320 HG3 GLN 42 HG3 GLN 42 5.720 -0.932 -6.846 321 HE21 GLN 42 HE21 GLN 42 3.900 -2.197 -4.169 322 HE22 GLN 42 HE22 GLN 42 3.887 -3.844 -4.684 323 H THR 43 H THR 43 7.210 0.531 -2.341 324 HA THR 43 HA THR 43 4.535 1.048 -1.683 325 HB THR 43 HB THR 43 7.020 1.268 0.067 326 HG1 THR 43 HG1 THR 43 6.085 -0.797 -1.166 327 HG21 THR 43 HG21 THR 43 5.090 2.291 1.211 328 HG22 THR 43 HG22 THR 43 5.518 0.756 1.970 329 HG23 THR 43 HG23 THR 43 4.121 0.852 0.894 330 H LEU 44 H LEU 44 7.392 3.194 -1.390 331 HA LEU 44 HA LEU 44 6.086 5.334 -0.086 332 HB2 LEU 44 HB2 LEU 44 8.546 5.665 -1.830 333 HB3 LEU 44 HB3 LEU 44 8.084 6.607 -0.416 334 HG LEU 44 HG LEU 44 9.225 3.793 -0.502 335 HD11 LEU 44 HD11 LEU 44 11.010 4.702 0.856 336 HD12 LEU 44 HD12 LEU 44 10.234 6.289 0.858 337 HD13 LEU 44 HD13 LEU 44 10.840 5.598 -0.653 338 HD21 LEU 44 HD21 LEU 44 8.121 5.140 1.984 339 HD22 LEU 44 HD22 LEU 44 8.998 3.614 1.928 340 HD23 LEU 44 HD23 LEU 44 7.416 3.744 1.167 341 H ARG 45 H ARG 45 6.400 4.527 -3.469 342 HA ARG 45 HA ARG 45 5.427 7.038 -4.510 343 HB2 ARG 45 HB2 ARG 45 5.763 4.305 -5.813 344 HB3 ARG 45 HB3 ARG 45 5.298 5.769 -6.681 345 HG2 ARG 45 HG2 ARG 45 7.464 6.813 -6.065 346 HG3 ARG 45 HG3 ARG 45 7.931 5.342 -5.207 347 HD2 ARG 45 HD2 ARG 45 7.319 5.467 -8.192 348 HD3 ARG 45 HD3 ARG 45 8.938 5.574 -7.496 349 HE ARG 45 HE ARG 45 8.711 3.311 -6.706 350 HH11 ARG 45 HH11 ARG 45 6.247 4.224 -9.030 351 HH12 ARG 45 HH12 ARG 45 5.926 2.589 -9.501 352 HH21 ARG 45 HH21 ARG 45 8.292 1.170 -7.366 353 HH22 ARG 45 HH22 ARG 45 7.091 0.868 -8.576 354 H ILE 46 H ILE 46 4.025 3.838 -3.802 355 HA ILE 46 HA ILE 46 1.476 4.348 -5.007 356 HB ILE 46 HB ILE 46 2.502 2.132 -3.200 357 HG12 ILE 46 HG12 ILE 46 1.675 2.240 -6.136 358 HG13 ILE 46 HG13 ILE 46 3.316 2.094 -5.517 359 HG21 ILE 46 HG21 ILE 46 0.132 2.358 -2.613 360 HG22 ILE 46 HG22 ILE 46 0.394 0.878 -3.534 361 HG23 ILE 46 HG23 ILE 46 -0.320 2.290 -4.318 362 HD11 ILE 46 HD11 ILE 46 2.522 -0.011 -6.388 363 HD12 ILE 46 HD12 ILE 46 1.134 0.015 -5.303 364 HD13 ILE 46 HD13 ILE 46 2.769 -0.143 -4.649 365 H GLU 47 H GLU 47 2.633 4.488 -1.646 366 HA GLU 47 HA GLU 47 0.283 4.476 -0.190 367 HB2 GLU 47 HB2 GLU 47 2.825 6.029 0.400 368 HB3 GLU 47 HB3 GLU 47 1.519 5.816 1.561 369 HG2 GLU 47 HG2 GLU 47 1.927 3.436 1.618 370 HG3 GLU 47 HG3 GLU 47 3.156 3.572 0.375 371 H ARG 48 H ARG 48 2.017 7.326 -1.460 372 HA ARG 48 HA ARG 48 0.245 9.260 -0.430 373 HB2 ARG 48 HB2 ARG 48 1.329 10.871 -2.006 374 HB3 ARG 48 HB3 ARG 48 2.458 9.969 -1.009 375 HG2 ARG 48 HG2 ARG 48 2.991 8.502 -2.936 376 HG3 ARG 48 HG3 ARG 48 1.865 9.423 -3.940 377 HD2 ARG 48 HD2 ARG 48 4.383 10.490 -2.610 378 HD3 ARG 48 HD3 ARG 48 4.160 10.169 -4.333 379 HE ARG 48 HE ARG 48 2.161 11.956 -3.612 380 HH11 ARG 48 HH11 ARG 48 5.672 12.033 -3.726 381 HH12 ARG 48 HH12 ARG 48 5.746 13.742 -3.985 382 HH21 ARG 48 HH21 ARG 48 2.275 14.176 -3.950 383 HH22 ARG 48 HH22 ARG 48 3.814 14.960 -4.110 384 H ASP 49 H ASP 49 0.422 7.825 -3.751 385 HA ASP 49 HA ASP 49 -1.657 9.366 -4.878 386 HB2 ASP 49 HB2 ASP 49 -0.102 8.013 -6.257 387 HB3 ASP 49 HB3 ASP 49 -0.790 6.532 -5.612 388 H GLU 50 H GLU 50 -1.724 6.342 -3.095 389 HA GLU 50 HA GLU 50 -4.442 5.695 -3.472 390 HB2 GLU 50 HB2 GLU 50 -2.381 4.844 -1.420 391 HB3 GLU 50 HB3 GLU 50 -4.031 4.225 -1.399 392 HG2 GLU 50 HG2 GLU 50 -2.117 3.953 -3.735 393 HG3 GLU 50 HG3 GLU 50 -2.414 2.711 -2.518 394 H ARG 51 H ARG 51 -2.791 7.379 -0.738 395 HA ARG 51 HA ARG 51 -5.246 7.725 0.718 396 HB2 ARG 51 HB2 ARG 51 -3.947 9.055 2.318 397 HB3 ARG 51 HB3 ARG 51 -3.124 7.553 1.920 398 HG2 ARG 51 HG2 ARG 51 -1.666 8.858 0.326 399 HG3 ARG 51 HG3 ARG 51 -2.406 10.339 0.944 400 HD2 ARG 51 HD2 ARG 51 -0.812 8.310 2.555 401 HD3 ARG 51 HD3 ARG 51 -0.261 9.909 2.053 402 HE ARG 51 HE ARG 51 -2.396 10.594 3.466 403 HH11 ARG 51 HH11 ARG 51 0.018 8.172 4.311 404 HH12 ARG 51 HH12 ARG 51 -0.100 8.477 6.013 405 HH21 ARG 51 HH21 ARG 51 -2.564 10.932 5.711 406 HH22 ARG 51 HH22 ARG 51 -1.576 10.024 6.808 407 H LEU 52 H LEU 52 -3.576 9.604 -1.701 408 HA LEU 52 HA LEU 52 -4.932 12.078 -1.422 409 HB2 LEU 52 HB2 LEU 52 -3.291 10.734 -3.530 410 HB3 LEU 52 HB3 LEU 52 -4.437 11.900 -4.156 411 HG LEU 52 HG LEU 52 -2.199 12.888 -3.835 412 HD11 LEU 52 HD11 LEU 52 -4.245 14.076 -1.967 413 HD12 LEU 52 HD12 LEU 52 -4.140 14.336 -3.710 414 HD13 LEU 52 HD13 LEU 52 -2.845 14.902 -2.661 415 HD21 LEU 52 HD21 LEU 52 -2.572 12.317 -0.901 416 HD22 LEU 52 HD22 LEU 52 -1.292 13.307 -1.610 417 HD23 LEU 52 HD23 LEU 52 -1.381 11.590 -1.980 418 H ARG 53 H ARG 53 -5.578 9.255 -3.492 419 HA ARG 53 HA ARG 53 -8.111 10.269 -4.427 420 HB2 ARG 53 HB2 ARG 53 -8.226 8.283 -5.787 421 HB3 ARG 53 HB3 ARG 53 -6.573 8.886 -5.831 422 HG2 ARG 53 HG2 ARG 53 -6.012 7.140 -4.058 423 HG3 ARG 53 HG3 ARG 53 -7.616 6.455 -4.337 424 HD2 ARG 53 HD2 ARG 53 -5.372 6.725 -6.375 425 HD3 ARG 53 HD3 ARG 53 -5.936 5.234 -5.618 426 HE ARG 53 HE ARG 53 -8.181 6.072 -6.794 427 HH11 ARG 53 HH11 ARG 53 -4.928 5.822 -8.103 428 HH12 ARG 53 HH12 ARG 53 -5.473 5.551 -9.725 429 HH21 ARG 53 HH21 ARG 53 -8.883 5.704 -8.913 430 HH22 ARG 53 HH22 ARG 53 -7.727 5.484 -10.188 431 H ALA 54 H ALA 54 -7.098 8.381 -1.708 432 HA ALA 54 HA ALA 54 -9.606 7.077 -1.147 433 HB1 ALA 54 HB1 ALA 54 -7.331 7.747 0.770 434 HB2 ALA 54 HB2 ALA 54 -7.480 6.262 -0.171 435 HB3 ALA 54 HB3 ALA 54 -8.665 6.630 1.081 436 H CYS 55 H CYS 55 -8.018 10.072 -0.071 437 HA CYS 55 HA CYS 55 -10.151 10.965 1.636 438 HB2 CYS 55 HB2 CYS 55 -7.740 12.423 0.492 439 HB3 CYS 55 HB3 CYS 55 -8.790 13.046 1.771 440 HG CYS 55 HG CYS 55 -6.134 11.349 2.151 441 H ASP 56 H ASP 56 -9.982 10.796 -1.669 442 HA ASP 56 HA ASP 56 -11.199 13.249 -2.493 443 HB2 ASP 56 HB2 ASP 56 -9.778 11.777 -3.964 444 HB3 ASP 56 HB3 ASP 56 -11.059 10.573 -3.942 445 H TRP 57 H TRP 57 -12.436 10.551 -0.833 446 HA TRP 57 HA TRP 57 -15.051 10.254 -1.818 447 HB2 TRP 57 HB2 TRP 57 -15.618 9.160 0.262 448 HB3 TRP 57 HB3 TRP 57 -13.958 8.727 -0.116 449 HD1 TRP 57 HD1 TRP 57 -12.021 9.846 1.506 450 HE1 TRP 57 HE1 TRP 57 -12.126 10.607 3.949 451 HE3 TRP 57 HE3 TRP 57 -17.089 10.291 2.003 452 HZ2 TRP 57 HZ2 TRP 57 -14.061 11.305 5.847 453 HZ3 TRP 57 HZ3 TRP 57 -17.987 11.033 4.174 454 HH2 TRP 57 HH2 TRP 57 -16.504 11.532 6.057 455 H THR 58 H THR 58 -13.626 12.784 0.064 456 HA THR 58 HA THR 58 -16.118 13.984 0.965 457 HB THR 58 HB THR 58 -14.612 15.768 1.850 458 HG1 THR 58 HG1 THR 58 -12.275 14.442 1.317 459 HG21 THR 58 HG21 THR 58 -15.017 13.699 3.173 460 HG22 THR 58 HG22 THR 58 -13.427 14.391 3.473 461 HG23 THR 58 HG23 THR 58 -13.586 12.976 2.435 462 H GLN 59 H GLN 59 -13.802 14.352 -1.621 463 HA GLN 59 HA GLN 59 -14.372 17.015 -2.406 464 HB2 GLN 59 HB2 GLN 59 -13.112 14.748 -4.013 465 HB3 GLN 59 HB3 GLN 59 -13.053 16.457 -4.438 466 HG2 GLN 59 HG2 GLN 59 -11.771 15.135 -2.030 467 HG3 GLN 59 HG3 GLN 59 -10.954 15.808 -3.445 468 HE21 GLN 59 HE21 GLN 59 -12.485 16.534 -0.408 469 HE22 GLN 59 HE22 GLN 59 -12.102 18.220 -0.379 470 H VAL 60 H VAL 60 -15.642 13.878 -3.398 471 HA VAL 60 HA VAL 60 -17.187 14.831 -5.612 472 HB VAL 60 HB VAL 60 -18.323 12.644 -5.576 473 HG11 VAL 60 HG11 VAL 60 -16.351 11.202 -5.918 474 HG12 VAL 60 HG12 VAL 60 -15.327 12.376 -5.092 475 HG13 VAL 60 HG13 VAL 60 -16.093 12.798 -6.625 476 HG21 VAL 60 HG21 VAL 60 -18.592 12.352 -3.137 477 HG22 VAL 60 HG22 VAL 60 -16.852 12.121 -2.958 478 HG23 VAL 60 HG23 VAL 60 -17.811 10.939 -3.851 479 H GLN 61 H GLN 61 -19.514 14.802 -5.753 480 HA GLN 61 HA GLN 61 -20.802 16.195 -3.538 481 HB2 GLN 61 HB2 GLN 61 -22.569 16.707 -5.163 482 HB3 GLN 61 HB3 GLN 61 -20.985 17.087 -5.835 483 HG2 GLN 61 HG2 GLN 61 -21.046 14.933 -7.098 484 HG3 GLN 61 HG3 GLN 61 -22.678 14.653 -6.488 485 HE21 GLN 61 HE21 GLN 61 -24.365 16.051 -7.203 486 HE22 GLN 61 HE22 GLN 61 -24.218 16.913 -8.692 487 H ASP 62 H ASP 62 -20.516 12.979 -4.501 488 HA ASP 62 HA ASP 62 -23.049 11.847 -3.978 489 HB2 ASP 62 HB2 ASP 62 -20.249 10.676 -3.605 490 HB3 ASP 62 HB3 ASP 62 -21.733 9.726 -3.504 491 H VAL 63 H VAL 63 -20.413 12.807 -1.844 492 HA VAL 63 HA VAL 63 -21.884 12.013 0.560 493 HB VAL 63 HB VAL 63 -19.377 11.693 0.376 494 HG11 VAL 63 HG11 VAL 63 -19.251 14.725 0.599 495 HG12 VAL 63 HG12 VAL 63 -18.788 13.768 -0.810 496 HG13 VAL 63 HG13 VAL 63 -17.874 13.624 0.690 497 HG21 VAL 63 HG21 VAL 63 -20.330 13.440 2.674 498 HG22 VAL 63 HG22 VAL 63 -18.871 12.447 2.685 499 HG23 VAL 63 HG23 VAL 63 -20.456 11.680 2.572 500 H VAL 64 H VAL 64 -22.642 13.524 2.077 501 HA VAL 64 HA VAL 64 -22.945 16.333 1.188 502 HB VAL 64 HB VAL 64 -24.770 14.737 3.058 503 HG11 VAL 64 HG11 VAL 64 -25.100 17.551 1.928 504 HG12 VAL 64 HG12 VAL 64 -24.779 17.145 3.618 505 HG13 VAL 64 HG13 VAL 64 -26.315 16.688 2.877 506 HG21 VAL 64 HG21 VAL 64 -26.439 14.798 1.218 507 HG22 VAL 64 HG22 VAL 64 -24.980 13.938 0.726 508 HG23 VAL 64 HG23 VAL 64 -25.258 15.590 0.168 509 H LEU 65 H LEU 65 -21.112 17.131 2.075 510 HA LEU 65 HA LEU 65 -20.824 17.133 5.031 511 HB2 LEU 65 HB2 LEU 65 -18.695 16.986 2.857 512 HB3 LEU 65 HB3 LEU 65 -18.307 17.508 4.484 513 HG LEU 65 HG LEU 65 -19.419 14.754 3.795 514 HD11 LEU 65 HD11 LEU 65 -17.153 13.910 4.209 515 HD12 LEU 65 HD12 LEU 65 -16.560 15.558 4.443 516 HD13 LEU 65 HD13 LEU 65 -17.165 15.048 2.863 517 HD21 LEU 65 HD21 LEU 65 -18.292 15.864 6.388 518 HD22 LEU 65 HD22 LEU 65 -18.764 14.181 6.112 519 HD23 LEU 65 HD23 LEU 65 -19.981 15.453 6.073 520 H THR 66 H THR 66 -19.853 19.154 5.849 521 HA THR 66 HA THR 66 -21.000 21.487 4.631 522 HB THR 66 HB THR 66 -19.889 22.749 6.475 523 HG1 THR 66 HG1 THR 66 -18.819 21.136 8.057 524 HG21 THR 66 HG21 THR 66 -20.988 21.649 8.403 525 HG22 THR 66 HG22 THR 66 -21.200 20.174 7.459 526 HG23 THR 66 HG23 THR 66 -22.052 21.650 6.994 527 H ALA 67 H ALA 67 -19.708 23.463 4.084 528 HA ALA 67 HA ALA 67 -17.687 23.074 2.181 529 HB1 ALA 67 HB1 ALA 67 -17.291 25.508 2.321 530 HB2 ALA 67 HB2 ALA 67 -18.213 25.582 3.825 531 HB3 ALA 67 HB3 ALA 67 -19.021 25.157 2.314 532 H ASP 68 H ASP 68 -17.430 24.081 5.593 533 HA ASP 68 HA ASP 68 -14.758 24.196 6.079 534 HB2 ASP 68 HB2 ASP 68 -16.760 22.820 7.922 535 HB3 ASP 68 HB3 ASP 68 -15.225 23.541 8.396 536 H GLN 69 H GLN 69 -16.680 21.241 6.112 537 HA GLN 69 HA GLN 69 -14.599 19.359 6.651 538 HB2 GLN 69 HB2 GLN 69 -17.316 19.054 5.313 539 HB3 GLN 69 HB3 GLN 69 -16.241 17.676 5.516 540 HG2 GLN 69 HG2 GLN 69 -17.094 19.353 7.881 541 HG3 GLN 69 HG3 GLN 69 -18.118 18.064 7.250 542 HE21 GLN 69 HE21 GLN 69 -17.965 16.916 9.175 543 HE22 GLN 69 HE22 GLN 69 -16.537 16.052 9.632 544 H LYS 70 H LYS 70 -16.165 20.154 3.533 545 HA LYS 70 HA LYS 70 -14.557 18.393 1.981 546 HB2 LYS 70 HB2 LYS 70 -16.490 20.612 1.216 547 HB3 LYS 70 HB3 LYS 70 -15.665 19.617 0.014 548 HG2 LYS 70 HG2 LYS 70 -16.696 17.589 0.964 549 HG3 LYS 70 HG3 LYS 70 -17.518 18.567 2.187 550 HD2 LYS 70 HD2 LYS 70 -18.929 19.595 0.560 551 HD3 LYS 70 HD3 LYS 70 -17.936 19.031 -0.787 552 HE2 LYS 70 HE2 LYS 70 -18.641 16.697 -0.279 553 HE3 LYS 70 HE3 LYS 70 -19.644 17.297 1.041 554 HZ1 LYS 70 HZ1 LYS 70 -20.971 16.897 -0.892 555 HZ2 LYS 70 HZ2 LYS 70 -19.986 17.884 -1.842 556 HZ3 LYS 70 HZ3 LYS 70 -20.917 18.565 -0.608 557 H ALA 71 H ALA 71 -13.963 21.607 3.050 558 HA ALA 71 HA ALA 71 -12.227 22.359 0.778 559 HB1 ALA 71 HB1 ALA 71 -13.752 24.104 1.647 560 HB2 ALA 71 HB2 ALA 71 -12.064 24.570 1.858 561 HB3 ALA 71 HB3 ALA 71 -13.000 23.985 3.237 562 H THR 72 H THR 72 -12.013 22.258 4.344 563 HA THR 72 HA THR 72 -9.322 22.052 4.778 564 HB THR 72 HB THR 72 -11.456 20.395 6.177 565 HG1 THR 72 HG1 THR 72 -11.910 22.246 7.074 566 HG21 THR 72 HG21 THR 72 -8.651 21.071 7.149 567 HG22 THR 72 HG22 THR 72 -9.209 19.463 6.680 568 HG23 THR 72 HG23 THR 72 -9.902 20.263 8.092 569 H TRP 73 H TRP 73 -11.409 19.320 3.843 570 HA TRP 73 HA TRP 73 -9.364 17.354 3.624 571 HB2 TRP 73 HB2 TRP 73 -12.221 17.569 2.659 572 HB3 TRP 73 HB3 TRP 73 -11.216 16.250 2.083 573 HD1 TRP 73 HD1 TRP 73 -13.228 17.321 5.151 574 HE1 TRP 73 HE1 TRP 73 -13.210 15.406 6.849 575 HE3 TRP 73 HE3 TRP 73 -9.657 14.360 3.002 576 HZ2 TRP 73 HZ2 TRP 73 -11.888 12.953 7.227 577 HZ3 TRP 73 HZ3 TRP 73 -9.088 12.233 4.103 578 HH2 TRP 73 HH2 TRP 73 -10.179 11.546 6.172 579 H ALA 74 H ALA 74 -10.744 19.687 1.322 580 HA ALA 74 HA ALA 74 -9.444 18.786 -1.049 581 HB1 ALA 74 HB1 ALA 74 -9.997 20.995 -1.985 582 HB2 ALA 74 HB2 ALA 74 -10.397 21.596 -0.370 583 HB3 ALA 74 HB3 ALA 74 -11.374 20.326 -1.106 584 H LYS 75 H LYS 75 -8.483 20.849 1.587 585 HA LYS 75 HA LYS 75 -6.243 22.097 0.232 586 HB2 LYS 75 HB2 LYS 75 -7.616 23.345 1.869 587 HB3 LYS 75 HB3 LYS 75 -7.210 22.183 3.126 588 HG2 LYS 75 HG2 LYS 75 -4.883 22.899 3.099 589 HG3 LYS 75 HG3 LYS 75 -5.193 23.981 1.738 590 HD2 LYS 75 HD2 LYS 75 -6.442 24.235 4.502 591 HD3 LYS 75 HD3 LYS 75 -5.067 25.176 3.919 592 HE2 LYS 75 HE2 LYS 75 -6.487 26.160 2.148 593 HE3 LYS 75 HE3 LYS 75 -7.858 25.203 2.711 594 HZ1 LYS 75 HZ1 LYS 75 -6.434 27.286 4.262 595 HZ2 LYS 75 HZ2 LYS 75 -7.728 26.354 4.830 596 HZ3 LYS 75 HZ3 LYS 75 -7.959 27.434 3.551 597 H TYR 76 H TYR 76 -6.867 19.589 2.613 598 HA TYR 76 HA TYR 76 -4.267 18.766 3.281 599 HB2 TYR 76 HB2 TYR 76 -6.090 17.859 4.562 600 HB3 TYR 76 HB3 TYR 76 -6.942 17.309 3.123 601 HD1 TYR 76 HD2 TYR 76 -3.665 16.784 4.868 602 HD2 TYR 76 HD1 TYR 76 -6.835 15.003 2.627 603 HE1 TYR 76 HE2 TYR 76 -2.608 14.597 5.089 604 HE2 TYR 76 HE1 TYR 76 -5.750 12.812 2.841 605 HH TYR 76 HH TYR 76 -2.917 12.362 4.874 606 H ARG 77 H ARG 77 -6.430 17.822 0.669 607 HA ARG 77 HA ARG 77 -4.848 15.837 -0.597 608 HB2 ARG 77 HB2 ARG 77 -7.273 16.037 -0.913 609 HB3 ARG 77 HB3 ARG 77 -7.101 17.653 -1.585 610 HG2 ARG 77 HG2 ARG 77 -5.924 16.687 -3.551 611 HG3 ARG 77 HG3 ARG 77 -6.171 15.071 -2.879 612 HD2 ARG 77 HD2 ARG 77 -7.848 15.689 -4.634 613 HD3 ARG 77 HD3 ARG 77 -8.579 15.293 -3.077 614 HE ARG 77 HE ARG 77 -9.173 17.524 -2.776 615 HH11 ARG 77 HH11 ARG 77 -7.447 17.199 -5.818 616 HH12 ARG 77 HH12 ARG 77 -7.960 18.748 -6.402 617 HH21 ARG 77 HH21 ARG 77 -9.857 19.534 -3.572 618 HH22 ARG 77 HH22 ARG 77 -9.320 20.071 -5.134 619 H GLN 78 H GLN 78 -5.341 19.313 -1.373 620 HA GLN 78 HA GLN 78 -3.522 19.513 -3.491 621 HB2 GLN 78 HB2 GLN 78 -4.567 21.624 -1.558 622 HB3 GLN 78 HB3 GLN 78 -3.643 21.997 -3.007 623 HG2 GLN 78 HG2 GLN 78 -6.361 20.651 -2.939 624 HG3 GLN 78 HG3 GLN 78 -6.047 22.336 -3.349 625 HE21 GLN 78 HE21 GLN 78 -5.817 19.027 -4.437 626 HE22 GLN 78 HE22 GLN 78 -5.500 19.387 -6.095 627 H ALA 79 H ALA 79 -3.027 19.689 -0.005 628 HA ALA 79 HA ALA 79 -0.400 20.834 -0.059 629 HB1 ALA 79 HB1 ALA 79 -0.292 20.206 2.321 630 HB2 ALA 79 HB2 ALA 79 -1.753 19.224 2.139 631 HB3 ALA 79 HB3 ALA 79 -1.834 20.973 1.935 632 H LEU 80 H LEU 80 -1.640 17.494 0.155 633 HA LEU 80 HA LEU 80 0.904 16.328 0.752 634 HB2 LEU 80 HB2 LEU 80 -1.574 15.541 1.289 635 HB3 LEU 80 HB3 LEU 80 -1.456 14.742 -0.264 636 HG LEU 80 HG LEU 80 0.345 14.230 2.139 637 HD11 LEU 80 HD11 LEU 80 -1.923 13.417 2.488 638 HD12 LEU 80 HD12 LEU 80 -0.778 12.090 2.339 639 HD13 LEU 80 HD13 LEU 80 -1.838 12.492 0.984 640 HD21 LEU 80 HD21 LEU 80 0.312 12.790 -0.541 641 HD22 LEU 80 HD22 LEU 80 1.200 12.250 0.890 642 HD23 LEU 80 HD23 LEU 80 1.624 13.773 0.115 643 H ARG 81 H ARG 81 -1.109 16.624 -2.191 644 HA ARG 81 HA ARG 81 0.497 14.991 -3.871 645 HB2 ARG 81 HB2 ARG 81 -0.716 15.888 -5.742 646 HB3 ARG 81 HB3 ARG 81 -1.853 15.710 -4.413 647 HG2 ARG 81 HG2 ARG 81 -1.781 18.127 -3.979 648 HG3 ARG 81 HG3 ARG 81 -0.554 18.337 -5.233 649 HD2 ARG 81 HD2 ARG 81 -2.225 17.418 -6.894 650 HD3 ARG 81 HD3 ARG 81 -3.433 17.476 -5.611 651 HE ARG 81 HE ARG 81 -2.862 19.967 -5.533 652 HH11 ARG 81 HH11 ARG 81 -2.636 18.100 -8.508 653 HH12 ARG 81 HH12 ARG 81 -3.057 19.440 -9.524 654 HH21 ARG 81 HH21 ARG 81 -3.410 21.713 -6.883 655 HH22 ARG 81 HH22 ARG 81 -3.491 21.487 -8.600 656 H ASP 82 H ASP 82 0.849 18.239 -2.733 657 HA ASP 82 HA ASP 82 2.636 19.226 -4.759 658 HB2 ASP 82 HB2 ASP 82 1.052 20.678 -3.503 659 HB3 ASP 82 HB3 ASP 82 1.915 20.330 -2.009 660 H LEU 83 H LEU 83 3.111 17.094 -2.136 661 HA LEU 83 HA LEU 83 5.782 17.723 -1.405 662 HB2 LEU 83 HB2 LEU 83 4.053 15.266 -1.174 663 HB3 LEU 83 HB3 LEU 83 5.782 15.057 -0.968 664 HG LEU 83 HG LEU 83 5.749 16.732 0.895 665 HD11 LEU 83 HD11 LEU 83 3.613 17.401 1.924 666 HD12 LEU 83 HD12 LEU 83 2.736 16.657 0.585 667 HD13 LEU 83 HD13 LEU 83 3.783 18.045 0.290 668 HD21 LEU 83 HD21 LEU 83 3.882 14.374 1.285 669 HD22 LEU 83 HD22 LEU 83 4.745 15.242 2.558 670 HD23 LEU 83 HD23 LEU 83 5.646 14.321 1.356 671 HA PRO 84 HA PRO 84 8.683 17.014 -4.690 672 HB2 PRO 84 HB2 PRO 84 9.568 14.728 -2.885 673 HB3 PRO 84 HB3 PRO 84 10.570 15.837 -3.837 674 HG2 PRO 84 HG2 PRO 84 10.152 16.275 -1.231 675 HG3 PRO 84 HG3 PRO 84 10.210 17.629 -2.380 676 HD2 PRO 84 HD2 PRO 84 7.883 16.526 -0.912 677 HD3 PRO 84 HD3 PRO 84 8.069 18.111 -1.691 678 H GLU 85 H GLU 85 7.884 16.252 -6.543 679 HA GLU 85 HA GLU 85 6.401 13.873 -6.917 680 HB2 GLU 85 HB2 GLU 85 7.850 15.620 -8.950 681 HB3 GLU 85 HB3 GLU 85 6.672 14.369 -9.348 682 HG2 GLU 85 HG2 GLU 85 4.934 15.625 -8.108 683 HG3 GLU 85 HG3 GLU 85 6.117 16.883 -7.745 684 H THR 86 H THR 86 6.997 11.847 -7.498 685 HA THR 86 HA THR 86 8.217 9.971 -7.397 686 HB THR 86 HB THR 86 10.458 11.520 -8.787 687 HG1 THR 86 HG1 THR 86 8.184 11.452 -9.745 688 HG21 THR 86 HG21 THR 86 11.168 9.295 -7.944 689 HG22 THR 86 HG22 THR 86 11.095 9.303 -9.707 690 HG23 THR 86 HG23 THR 86 9.806 8.537 -8.778 691 H VAL 87 H VAL 87 8.243 10.073 -5.146 692 HA VAL 87 HA VAL 87 10.046 11.506 -3.536 693 HB VAL 87 HB VAL 87 9.363 9.924 -1.687 694 HG11 VAL 87 HG11 VAL 87 6.969 10.569 -1.656 695 HG12 VAL 87 HG12 VAL 87 7.064 11.028 -3.359 696 HG13 VAL 87 HG13 VAL 87 7.996 11.920 -2.151 697 HG21 VAL 87 HG21 VAL 87 7.762 8.533 -3.874 698 HG22 VAL 87 HG22 VAL 87 7.632 8.201 -2.142 699 HG23 VAL 87 HG23 VAL 87 9.135 7.850 -3.000 700 H THR 88 H THR 88 11.929 10.937 -2.500 701 HA THR 88 HA THR 88 13.790 9.427 -3.997 702 HB THR 88 HB THR 88 15.346 9.926 -2.012 703 HG1 THR 88 HG1 THR 88 13.136 10.245 -0.709 704 HG21 THR 88 HG21 THR 88 15.222 11.459 -3.949 705 HG22 THR 88 HG22 THR 88 15.450 12.351 -2.446 706 HG23 THR 88 HG23 THR 88 13.857 12.299 -3.203 707 H ASP 89 H ASP 89 13.590 7.274 -4.121 708 HA ASP 89 HA ASP 89 12.329 5.566 -2.278 709 HB2 ASP 89 HB2 ASP 89 13.088 3.758 -3.723 710 HB3 ASP 89 HB3 ASP 89 12.608 5.128 -4.716 711 H LEU 90 H LEU 90 15.643 6.608 -2.462 712 HA LEU 90 HA LEU 90 16.793 4.545 -0.826 713 HB2 LEU 90 HB2 LEU 90 18.832 5.856 -0.831 714 HB3 LEU 90 HB3 LEU 90 18.179 5.757 -2.451 715 HG LEU 90 HG LEU 90 17.702 8.237 -0.747 716 HD11 LEU 90 HD11 LEU 90 20.113 7.755 -2.526 717 HD12 LEU 90 HD12 LEU 90 20.123 7.880 -0.765 718 HD13 LEU 90 HD13 LEU 90 19.683 9.279 -1.739 719 HD21 LEU 90 HD21 LEU 90 16.344 8.018 -2.793 720 HD22 LEU 90 HD22 LEU 90 17.809 7.842 -3.764 721 HD23 LEU 90 HD23 LEU 90 17.478 9.362 -2.924 722 H SER 91 H SER 91 14.945 7.313 -0.082 723 HA SER 91 HA SER 91 15.655 7.166 2.797 724 HB2 SER 91 HB2 SER 91 16.391 9.333 1.791 725 HB3 SER 91 HB3 SER 91 14.742 9.647 1.253 726 HG SER 91 HG SER 91 15.549 10.570 3.351 727 H GLN 92 H GLN 92 13.745 7.907 4.186 728 HA GLN 92 HA GLN 92 11.300 6.593 3.235 729 HB2 GLN 92 HB2 GLN 92 12.020 7.581 6.031 730 HB3 GLN 92 HB3 GLN 92 10.580 6.656 5.603 731 HG2 GLN 92 HG2 GLN 92 12.084 4.792 4.837 732 HG3 GLN 92 HG3 GLN 92 13.458 5.700 5.467 733 HE21 GLN 92 HE21 GLN 92 12.488 3.066 6.256 734 HE22 GLN 92 HE22 GLN 92 12.137 3.160 7.942 735 H ILE 93 H ILE 93 9.285 7.793 4.580 736 HA ILE 93 HA ILE 93 9.133 10.495 3.393 737 HB ILE 93 HB ILE 93 6.633 9.586 2.722 738 HG12 ILE 93 HG12 ILE 93 6.859 7.321 1.625 739 HG13 ILE 93 HG13 ILE 93 8.408 7.116 2.428 740 HG21 ILE 93 HG21 ILE 93 8.117 10.756 1.195 741 HG22 ILE 93 HG22 ILE 93 7.405 9.347 0.407 742 HG23 ILE 93 HG23 ILE 93 9.081 9.293 0.963 743 HD11 ILE 93 HD11 ILE 93 5.727 7.369 3.770 744 HD12 ILE 93 HD12 ILE 93 7.276 7.139 4.586 745 HD13 ILE 93 HD13 ILE 93 6.644 5.884 3.522 746 H VAL 94 H VAL 94 8.134 11.978 4.694 747 HA VAL 94 HA VAL 94 5.979 11.059 6.508 748 HB VAL 94 HB VAL 94 7.765 13.526 6.853 749 HG11 VAL 94 HG11 VAL 94 5.495 13.926 7.737 750 HG12 VAL 94 HG12 VAL 94 6.651 13.782 9.062 751 HG13 VAL 94 HG13 VAL 94 5.579 12.433 8.682 752 HG21 VAL 94 HG21 VAL 94 9.036 11.476 7.355 753 HG22 VAL 94 HG22 VAL 94 7.772 10.952 8.472 754 HG23 VAL 94 HG23 VAL 94 8.717 12.399 8.829 755 H TRP 95 H TRP 95 4.064 11.680 5.744 756 HA TRP 95 HA TRP 95 3.793 14.231 4.255 757 HB2 TRP 95 HB2 TRP 95 1.625 12.798 3.329 758 HB3 TRP 95 HB3 TRP 95 3.151 12.943 2.487 759 HD1 TRP 95 HD1 TRP 95 1.810 10.471 5.209 760 HE1 TRP 95 HE1 TRP 95 2.409 8.102 4.407 761 HE3 TRP 95 HE3 TRP 95 4.151 11.635 0.805 762 HZ2 TRP 95 HZ2 TRP 95 3.682 6.900 2.247 763 HZ3 TRP 95 HZ3 TRP 95 5.018 9.787 -0.585 764 HH2 TRP 95 HH2 TRP 95 4.773 7.456 0.134 765 HA PRO 96 HA PRO 96 0.694 15.689 7.120 766 HB2 PRO 96 HB2 PRO 96 -1.144 15.951 4.727 767 HB3 PRO 96 HB3 PRO 96 -0.775 17.130 5.996 768 HG2 PRO 96 HG2 PRO 96 0.336 17.366 3.582 769 HG3 PRO 96 HG3 PRO 96 1.289 17.706 5.043 770 HD2 PRO 96 HD2 PRO 96 1.361 15.300 3.245 771 HD3 PRO 96 HD3 PRO 96 2.690 16.102 4.113 772 H GLN 97 H GLN 97 -0.748 14.692 8.396 773 HA GLN 97 HA GLN 97 -2.200 12.289 7.527 774 HB2 GLN 97 HB2 GLN 97 -1.033 12.396 9.782 775 HB3 GLN 97 HB3 GLN 97 -2.178 13.637 10.282 776 HG2 GLN 97 HG2 GLN 97 -2.820 11.442 11.166 777 HG3 GLN 97 HG3 GLN 97 -4.034 12.041 10.031 778 HE21 GLN 97 HE21 GLN 97 -4.838 9.986 9.583 779 HE22 GLN 97 HE22 GLN 97 -3.953 8.802 8.685 780 H LEU 98 H LEU 98 -4.485 12.179 7.501 781 HA LEU 98 HA LEU 98 -5.783 14.547 6.594 782 HB2 LEU 98 HB2 LEU 98 -7.857 12.893 6.596 783 HB3 LEU 98 HB3 LEU 98 -6.574 12.750 5.419 784 HG LEU 98 HG LEU 98 -5.588 10.869 6.741 785 HD11 LEU 98 HD11 LEU 98 -6.891 9.770 8.495 786 HD12 LEU 98 HD12 LEU 98 -8.079 11.076 8.447 787 HD13 LEU 98 HD13 LEU 98 -6.423 11.404 8.965 788 HD21 LEU 98 HD21 LEU 98 -7.076 10.431 4.843 789 HD22 LEU 98 HD22 LEU 98 -8.481 10.456 5.915 790 HD23 LEU 98 HD23 LEU 98 -7.254 9.196 6.088 791 HA PRO 99 HA PRO 99 -7.307 16.501 10.134 792 HB2 PRO 99 HB2 PRO 99 -9.843 17.374 9.519 793 HB3 PRO 99 HB3 PRO 99 -8.372 18.045 8.799 794 HG2 PRO 99 HG2 PRO 99 -10.217 15.921 7.682 795 HG3 PRO 99 HG3 PRO 99 -9.569 17.369 6.877 796 HD2 PRO 99 HD2 PRO 99 -8.437 14.973 6.474 797 HD3 PRO 99 HD3 PRO 99 -7.423 16.428 6.624 798 H VAL 100 H VAL 100 -9.043 13.632 9.344 799 HA VAL 100 HA VAL 100 -10.523 13.668 11.913 800 HB VAL 100 HB VAL 100 -10.956 11.880 9.475 801 HG11 VAL 100 HG11 VAL 100 -12.581 12.062 12.045 802 HG12 VAL 100 HG12 VAL 100 -11.574 10.701 11.546 803 HG13 VAL 100 HG13 VAL 100 -13.014 11.114 10.618 804 HG21 VAL 100 HG21 VAL 100 -11.639 14.201 9.032 805 HG22 VAL 100 HG22 VAL 100 -12.629 14.209 10.495 806 HG23 VAL 100 HG23 VAL 100 -13.058 13.154 9.145 Start of MODEL 11 1 H MET 1 H MET 1 8.136 -4.949 6.981 2 HA MET 1 HA MET 1 5.534 -5.584 5.761 3 HB2 MET 1 HB2 MET 1 6.750 -4.716 3.609 4 HB3 MET 1 HB3 MET 1 6.088 -3.539 4.733 5 HG2 MET 1 HG2 MET 1 8.305 -2.888 3.893 6 HG3 MET 1 HG3 MET 1 8.284 -3.079 5.640 7 HE1 MET 1 HE1 MET 1 9.794 -4.292 2.251 8 HE2 MET 1 HE2 MET 1 8.745 -5.662 2.617 9 HE3 MET 1 HE3 MET 1 10.497 -5.852 2.681 10 H LEU 2 H LEU 2 5.740 -6.994 3.910 11 HA LEU 2 HA LEU 2 8.032 -8.874 4.041 12 HB2 LEU 2 HB2 LEU 2 6.502 -10.538 2.935 13 HB3 LEU 2 HB3 LEU 2 6.029 -10.063 4.551 14 HG LEU 2 HG LEU 2 4.359 -8.437 3.385 15 HD11 LEU 2 HD11 LEU 2 5.155 -8.571 1.096 16 HD12 LEU 2 HD12 LEU 2 3.498 -9.159 1.201 17 HD13 LEU 2 HD13 LEU 2 4.831 -10.307 1.053 18 HD21 LEU 2 HD21 LEU 2 3.867 -11.426 3.290 19 HD22 LEU 2 HD22 LEU 2 2.624 -10.170 3.273 20 HD23 LEU 2 HD23 LEU 2 3.653 -10.370 4.690 21 H LEU 3 H LEU 3 9.040 -9.505 2.087 22 HA LEU 3 HA LEU 3 9.247 -7.588 0.016 23 HB2 LEU 3 HB2 LEU 3 10.271 -10.441 0.367 24 HB3 LEU 3 HB3 LEU 3 10.658 -9.487 -1.049 25 HG LEU 3 HG LEU 3 12.039 -7.971 0.218 26 HD11 LEU 3 HD11 LEU 3 11.107 -9.290 2.775 27 HD12 LEU 3 HD12 LEU 3 10.649 -7.683 2.210 28 HD13 LEU 3 HD13 LEU 3 12.324 -8.017 2.633 29 HD21 LEU 3 HD21 LEU 3 13.753 -9.461 1.172 30 HD22 LEU 3 HD22 LEU 3 13.112 -10.118 -0.332 31 HD23 LEU 3 HD23 LEU 3 12.593 -10.794 1.215 32 H HIS 4 H HIS 4 7.404 -7.268 -1.230 33 HA HIS 4 HA HIS 4 5.453 -8.927 -2.054 34 HB2 HIS 4 HB2 HIS 4 5.078 -7.468 -3.994 35 HB3 HIS 4 HB3 HIS 4 5.492 -6.524 -2.578 36 HD1 HIS 4 HD1 HIS 4 7.236 -4.778 -2.936 37 HD2 HIS 4 HD2 HIS 4 7.378 -7.696 -5.890 38 HE1 HIS 4 HE1 HIS 4 8.973 -3.995 -4.579 39 HE2 HIS 4 HE2 HIS 4 9.154 -5.850 -6.257 40 H SER 5 H SER 5 8.687 -8.939 -3.363 41 HA SER 5 HA SER 5 8.487 -11.600 -4.296 42 HB2 SER 5 HB2 SER 5 7.365 -10.539 -6.254 43 HB3 SER 5 HB3 SER 5 8.764 -9.492 -6.493 44 HG SER 5 HG SER 5 8.805 -12.333 -6.575 45 H VAL 6 H VAL 6 10.472 -12.434 -3.985 46 HA VAL 6 HA VAL 6 12.880 -10.708 -4.087 47 HB VAL 6 HB VAL 6 12.270 -11.651 -1.802 48 HG11 VAL 6 HG11 VAL 6 12.678 -14.035 -1.295 49 HG12 VAL 6 HG12 VAL 6 12.977 -14.348 -3.004 50 HG13 VAL 6 HG13 VAL 6 11.372 -13.845 -2.472 51 HG21 VAL 6 HG21 VAL 6 14.957 -12.543 -2.910 52 HG22 VAL 6 HG22 VAL 6 14.564 -12.381 -1.196 53 HG23 VAL 6 HG23 VAL 6 14.572 -10.956 -2.236 54 H GLU 7 H GLU 7 14.779 -11.624 -5.039 55 HA GLU 7 HA GLU 7 14.335 -13.717 -7.035 56 HB2 GLU 7 HB2 GLU 7 16.843 -12.048 -6.523 57 HB3 GLU 7 HB3 GLU 7 16.545 -13.108 -7.902 58 HG2 GLU 7 HG2 GLU 7 14.511 -11.592 -8.381 59 HG3 GLU 7 HG3 GLU 7 15.248 -10.455 -7.260 60 H THR 8 H THR 8 15.190 -15.747 -6.905 61 HA THR 8 HA THR 8 16.953 -16.520 -4.659 62 HB THR 8 HB THR 8 15.487 -18.583 -4.312 63 HG1 THR 8 HG1 THR 8 13.703 -17.055 -5.928 64 HG21 THR 8 HG21 THR 8 15.402 -16.753 -2.677 65 HG22 THR 8 HG22 THR 8 13.812 -17.487 -2.877 66 HG23 THR 8 HG23 THR 8 14.164 -15.932 -3.634 67 HA PRO 9 HA PRO 9 18.925 -19.314 -7.709 68 HB2 PRO 9 HB2 PRO 9 18.764 -21.424 -5.557 69 HB3 PRO 9 HB3 PRO 9 20.151 -20.912 -6.532 70 HG2 PRO 9 HG2 PRO 9 19.946 -20.109 -3.998 71 HG3 PRO 9 HG3 PRO 9 20.513 -18.982 -5.250 72 HD2 PRO 9 HD2 PRO 9 17.800 -19.141 -3.926 73 HD3 PRO 9 HD3 PRO 9 18.761 -17.715 -4.386 74 H ARG 10 H ARG 10 16.109 -20.451 -5.892 75 HA ARG 10 HA ARG 10 15.391 -22.527 -7.797 76 HB2 ARG 10 HB2 ARG 10 13.447 -22.910 -6.351 77 HB3 ARG 10 HB3 ARG 10 14.930 -22.840 -5.409 78 HG2 ARG 10 HG2 ARG 10 14.339 -20.445 -4.814 79 HG3 ARG 10 HG3 ARG 10 12.778 -20.708 -5.602 80 HD2 ARG 10 HD2 ARG 10 12.614 -21.017 -3.164 81 HD3 ARG 10 HD3 ARG 10 12.281 -22.531 -4.015 82 HE ARG 10 HE ARG 10 15.025 -22.331 -3.319 83 HH11 ARG 10 HH11 ARG 10 11.925 -23.042 -1.849 84 HH12 ARG 10 HH12 ARG 10 12.629 -23.967 -0.572 85 HH21 ARG 10 HH21 ARG 10 15.908 -23.553 -1.673 86 HH22 ARG 10 HH22 ARG 10 14.880 -24.261 -0.478 87 H GLY 11 H GLY 11 15.033 -19.195 -7.838 88 HA2 GLY 11 HA2 GLY 11 14.201 -18.512 -10.113 89 HA3 GLY 11 HA3 GLY 11 12.695 -19.309 -9.677 90 H GLU 12 H GLU 12 11.197 -17.820 -9.257 91 HA GLU 12 HA GLU 12 11.912 -15.355 -7.755 92 HB2 GLU 12 HB2 GLU 12 11.270 -14.950 -10.128 93 HB3 GLU 12 HB3 GLU 12 9.734 -15.766 -9.859 94 HG2 GLU 12 HG2 GLU 12 9.035 -14.020 -8.309 95 HG3 GLU 12 HG3 GLU 12 10.616 -13.247 -8.430 96 H ILE 13 H ILE 13 10.780 -14.973 -5.914 97 HA ILE 13 HA ILE 13 8.583 -16.829 -5.133 98 HB ILE 13 HB ILE 13 10.737 -15.645 -3.302 99 HG12 ILE 13 HG12 ILE 13 11.714 -17.408 -4.704 100 HG13 ILE 13 HG13 ILE 13 11.581 -17.975 -3.046 101 HG21 ILE 13 HG21 ILE 13 8.610 -15.908 -2.116 102 HG22 ILE 13 HG22 ILE 13 9.783 -17.088 -1.531 103 HG23 ILE 13 HG23 ILE 13 8.501 -17.593 -2.634 104 HD11 ILE 13 HD11 ILE 13 9.791 -18.713 -5.351 105 HD12 ILE 13 HD12 ILE 13 9.580 -19.261 -3.684 106 HD13 ILE 13 HD13 ILE 13 11.022 -19.719 -4.590 107 H LEU 14 H LEU 14 6.736 -15.804 -4.673 108 HA LEU 14 HA LEU 14 6.654 -12.867 -4.473 109 HB2 LEU 14 HB2 LEU 14 4.332 -14.820 -4.767 110 HB3 LEU 14 HB3 LEU 14 4.294 -13.079 -5.022 111 HG LEU 14 HG LEU 14 5.749 -15.103 -6.766 112 HD11 LEU 14 HD11 LEU 14 3.322 -15.215 -7.042 113 HD12 LEU 14 HD12 LEU 14 4.098 -14.561 -8.480 114 HD13 LEU 14 HD13 LEU 14 3.260 -13.477 -7.365 115 HD21 LEU 14 HD21 LEU 14 6.994 -13.014 -6.728 116 HD22 LEU 14 HD22 LEU 14 5.535 -12.096 -7.102 117 HD23 LEU 14 HD23 LEU 14 6.208 -13.214 -8.292 118 H ASN 15 H ASN 15 5.951 -11.819 -2.678 119 HA ASN 15 HA ASN 15 5.285 -11.289 -0.600 120 HB2 ASN 15 HB2 ASN 15 3.294 -13.530 -1.039 121 HB3 ASN 15 HB3 ASN 15 3.140 -12.256 0.168 122 HD21 ASN 15 HD21 ASN 15 1.352 -12.972 -2.012 123 HD22 ASN 15 HD22 ASN 15 1.162 -11.545 -2.963 124 H VAL 16 H VAL 16 7.140 -11.795 0.522 125 HA VAL 16 HA VAL 16 7.089 -14.103 2.286 126 HB VAL 16 HB VAL 16 8.051 -15.085 0.248 127 HG11 VAL 16 HG11 VAL 16 8.876 -13.059 -0.854 128 HG12 VAL 16 HG12 VAL 16 10.148 -14.281 -0.767 129 HG13 VAL 16 HG13 VAL 16 10.167 -12.908 0.345 130 HG21 VAL 16 HG21 VAL 16 10.205 -14.641 2.348 131 HG22 VAL 16 HG22 VAL 16 10.195 -15.930 1.143 132 HG23 VAL 16 HG23 VAL 16 8.950 -15.882 2.390 133 H SER 17 H SER 17 8.165 -13.670 4.197 134 HA SER 17 HA SER 17 9.243 -11.054 4.689 135 HB2 SER 17 HB2 SER 17 8.058 -12.327 6.446 136 HB3 SER 17 HB3 SER 17 9.296 -13.583 6.403 137 HG SER 17 HG SER 17 10.039 -12.366 7.984 138 H GLU 18 H GLU 18 11.479 -10.858 5.764 139 HA GLU 18 HA GLU 18 13.423 -11.461 3.785 140 HB2 GLU 18 HB2 GLU 18 13.675 -10.278 6.575 141 HB3 GLU 18 HB3 GLU 18 15.000 -10.352 5.411 142 HG2 GLU 18 HG2 GLU 18 13.784 -8.951 3.855 143 HG3 GLU 18 HG3 GLU 18 12.373 -8.941 4.904 144 H GLN 19 H GLN 19 13.039 -12.607 7.147 145 HA GLN 19 HA GLN 19 15.360 -14.286 7.131 146 HB2 GLN 19 HB2 GLN 19 12.958 -14.180 9.001 147 HB3 GLN 19 HB3 GLN 19 14.370 -15.193 9.281 148 HG2 GLN 19 HG2 GLN 19 14.463 -12.167 9.060 149 HG3 GLN 19 HG3 GLN 19 14.379 -13.058 10.581 150 HE21 GLN 19 HE21 GLN 19 16.190 -14.290 11.243 151 HE22 GLN 19 HE22 GLN 19 17.767 -14.013 10.590 152 H GLU 20 H GLU 20 11.923 -14.823 6.528 153 HA GLU 20 HA GLU 20 11.938 -17.645 6.265 154 HB2 GLU 20 HB2 GLU 20 9.842 -16.467 6.532 155 HB3 GLU 20 HB3 GLU 20 10.137 -15.482 5.103 156 HG2 GLU 20 HG2 GLU 20 9.801 -17.373 3.643 157 HG3 GLU 20 HG3 GLU 20 9.713 -18.478 5.009 158 H ALA 21 H ALA 21 12.078 -15.088 3.779 159 HA ALA 21 HA ALA 21 12.633 -16.466 1.508 160 HB1 ALA 21 HB1 ALA 21 13.811 -14.457 0.687 161 HB2 ALA 21 HB2 ALA 21 13.926 -13.847 2.342 162 HB3 ALA 21 HB3 ALA 21 12.346 -14.029 1.578 163 H ARG 22 H ARG 22 15.083 -15.513 3.956 164 HA ARG 22 HA ARG 22 17.322 -16.677 2.617 165 HB2 ARG 22 HB2 ARG 22 16.947 -15.960 5.553 166 HB3 ARG 22 HB3 ARG 22 18.490 -16.432 4.840 167 HG2 ARG 22 HG2 ARG 22 18.359 -14.443 3.340 168 HG3 ARG 22 HG3 ARG 22 16.863 -13.967 4.146 169 HD2 ARG 22 HD2 ARG 22 18.763 -12.707 5.040 170 HD3 ARG 22 HD3 ARG 22 18.082 -13.757 6.286 171 HE ARG 22 HE ARG 22 20.000 -15.336 5.458 172 HH11 ARG 22 HH11 ARG 22 20.294 -11.856 5.911 173 HH12 ARG 22 HH12 ARG 22 21.990 -11.945 6.259 174 HH21 ARG 22 HH21 ARG 22 22.196 -15.410 5.932 175 HH22 ARG 22 HH22 ARG 22 23.053 -13.938 6.267 176 H ASP 23 H ASP 23 15.046 -17.939 5.046 177 HA ASP 23 HA ASP 23 16.725 -20.192 5.782 178 HB2 ASP 23 HB2 ASP 23 15.305 -19.077 7.475 179 HB3 ASP 23 HB3 ASP 23 13.859 -19.518 6.577 180 H VAL 24 H VAL 24 13.448 -19.907 4.440 181 HA VAL 24 HA VAL 24 13.255 -22.666 3.693 182 HB VAL 24 HB VAL 24 11.425 -20.348 2.885 183 HG11 VAL 24 HG11 VAL 24 11.062 -22.385 1.533 184 HG12 VAL 24 HG12 VAL 24 9.688 -22.092 2.602 185 HG13 VAL 24 HG13 VAL 24 10.868 -23.340 3.008 186 HG21 VAL 24 HG21 VAL 24 11.635 -20.409 5.338 187 HG22 VAL 24 HG22 VAL 24 11.220 -22.125 5.353 188 HG23 VAL 24 HG23 VAL 24 10.022 -20.933 4.843 189 H PHE 25 H PHE 25 13.533 -19.599 1.871 190 HA PHE 25 HA PHE 25 13.493 -21.067 -0.678 191 HB2 PHE 25 HB2 PHE 25 13.190 -18.090 -0.128 192 HB3 PHE 25 HB3 PHE 25 12.994 -18.868 -1.696 193 HD1 PHE 25 HD1 PHE 25 11.222 -20.815 -1.812 194 HD2 PHE 25 HD2 PHE 25 11.253 -17.803 1.224 195 HE1 PHE 25 HE1 PHE 25 8.847 -21.260 -1.341 196 HE2 PHE 25 HE2 PHE 25 8.878 -18.257 1.687 197 HZ PHE 25 HZ PHE 25 7.674 -19.979 0.407 198 H GLY 26 H GLY 26 15.799 -19.618 1.340 199 HA2 GLY 26 HA2 GLY 26 18.062 -19.415 1.170 200 HA3 GLY 26 HA3 GLY 26 17.972 -20.348 -0.314 201 H ALA 27 H ALA 27 16.512 -17.197 0.375 202 HA ALA 27 HA ALA 27 17.627 -15.961 -1.971 203 HB1 ALA 27 HB1 ALA 27 16.022 -14.738 0.304 204 HB2 ALA 27 HB2 ALA 27 15.373 -15.371 -1.209 205 HB3 ALA 27 HB3 ALA 27 16.413 -13.948 -1.228 206 H SER 28 H SER 28 19.256 -14.471 -2.084 207 HA SER 28 HA SER 28 21.283 -14.657 -0.026 208 HB2 SER 28 HB2 SER 28 22.710 -13.490 -1.733 209 HB3 SER 28 HB3 SER 28 21.955 -14.959 -2.347 210 HG SER 28 HG SER 28 20.862 -13.817 -3.732 211 H GLU 29 H GLU 29 22.504 -12.707 0.625 212 HA GLU 29 HA GLU 29 20.748 -10.966 2.040 213 HB2 GLU 29 HB2 GLU 29 23.760 -10.765 1.674 214 HB3 GLU 29 HB3 GLU 29 22.823 -9.901 2.895 215 HG2 GLU 29 HG2 GLU 29 22.112 -12.100 3.839 216 HG3 GLU 29 HG3 GLU 29 23.155 -12.905 2.668 217 H GLN 30 H GLN 30 22.441 -10.552 -1.002 218 HA GLN 30 HA GLN 30 21.954 -7.701 -1.259 219 HB2 GLN 30 HB2 GLN 30 23.874 -8.644 -2.436 220 HB3 GLN 30 HB3 GLN 30 22.854 -9.801 -3.277 221 HG2 GLN 30 HG2 GLN 30 23.555 -7.987 -4.767 222 HG3 GLN 30 HG3 GLN 30 21.805 -7.980 -4.550 223 HE21 GLN 30 HE21 GLN 30 21.532 -5.825 -5.080 224 HE22 GLN 30 HE22 GLN 30 22.113 -4.522 -4.106 225 H ALA 31 H ALA 31 20.296 -10.700 -1.986 226 HA ALA 31 HA ALA 31 18.352 -9.564 -3.821 227 HB1 ALA 31 HB1 ALA 31 17.319 -11.813 -3.758 228 HB2 ALA 31 HB2 ALA 31 18.446 -12.300 -2.485 229 HB3 ALA 31 HB3 ALA 31 19.049 -11.915 -4.097 230 H ILE 32 H ILE 32 18.801 -9.724 -0.406 231 HA ILE 32 HA ILE 32 15.962 -9.941 0.305 232 HB ILE 32 HB ILE 32 18.466 -9.628 2.030 233 HG12 ILE 32 HG12 ILE 32 18.152 -11.904 1.111 234 HG13 ILE 32 HG13 ILE 32 17.964 -11.890 2.856 235 HG21 ILE 32 HG21 ILE 32 16.969 -9.915 4.014 236 HG22 ILE 32 HG22 ILE 32 15.569 -9.761 2.947 237 HG23 ILE 32 HG23 ILE 32 16.685 -8.406 3.141 238 HD11 ILE 32 HD11 ILE 32 16.349 -13.333 1.799 239 HD12 ILE 32 HD12 ILE 32 15.727 -11.990 0.840 240 HD13 ILE 32 HD13 ILE 32 15.545 -11.986 2.598 241 H ALA 33 H ALA 33 18.670 -7.726 1.173 242 HA ALA 33 HA ALA 33 17.473 -5.376 1.535 243 HB1 ALA 33 HB1 ALA 33 20.023 -5.733 -0.070 244 HB2 ALA 33 HB2 ALA 33 19.899 -5.737 1.689 245 HB3 ALA 33 HB3 ALA 33 19.526 -4.268 0.789 246 H ASP 34 H ASP 34 18.204 -6.631 -1.755 247 HA ASP 34 HA ASP 34 17.374 -4.464 -3.287 248 HB2 ASP 34 HB2 ASP 34 18.507 -6.403 -4.258 249 HB3 ASP 34 HB3 ASP 34 17.131 -7.434 -3.881 250 H ALA 35 H ALA 35 15.410 -7.275 -2.323 251 HA ALA 35 HA ALA 35 13.021 -6.302 -3.569 252 HB1 ALA 35 HB1 ALA 35 11.965 -8.308 -2.596 253 HB2 ALA 35 HB2 ALA 35 13.424 -8.609 -1.647 254 HB3 ALA 35 HB3 ALA 35 13.486 -8.692 -3.406 255 H ARG 36 H ARG 36 14.251 -6.326 -0.265 256 HA ARG 36 HA ARG 36 12.012 -5.328 1.142 257 HB2 ARG 36 HB2 ARG 36 13.991 -6.195 2.341 258 HB3 ARG 36 HB3 ARG 36 14.981 -4.890 1.705 259 HG2 ARG 36 HG2 ARG 36 13.479 -3.267 2.972 260 HG3 ARG 36 HG3 ARG 36 12.725 -4.676 3.725 261 HD2 ARG 36 HD2 ARG 36 14.949 -5.347 4.619 262 HD3 ARG 36 HD3 ARG 36 15.655 -3.893 3.912 263 HE ARG 36 HE ARG 36 13.902 -2.706 5.408 264 HH11 ARG 36 HH11 ARG 36 15.596 -5.653 6.322 265 HH12 ARG 36 HH12 ARG 36 15.544 -5.289 8.012 266 HH21 ARG 36 HH21 ARG 36 13.837 -2.264 7.632 267 HH22 ARG 36 HH22 ARG 36 14.564 -3.367 8.753 268 H LYS 37 H LYS 37 14.807 -3.660 -0.258 269 HA LYS 37 HA LYS 37 14.015 -0.991 0.130 270 HB2 LYS 37 HB2 LYS 37 16.314 -1.551 -0.405 271 HB3 LYS 37 HB3 LYS 37 15.841 -2.234 -1.952 272 HG2 LYS 37 HG2 LYS 37 15.265 0.020 -2.789 273 HG3 LYS 37 HG3 LYS 37 15.658 0.708 -1.215 274 HD2 LYS 37 HD2 LYS 37 17.504 1.055 -2.803 275 HD3 LYS 37 HD3 LYS 37 18.007 0.012 -1.471 276 HE2 LYS 37 HE2 LYS 37 17.655 -1.976 -2.936 277 HE3 LYS 37 HE3 LYS 37 17.230 -0.895 -4.267 278 HZ1 LYS 37 HZ1 LYS 37 19.840 -0.958 -2.857 279 HZ2 LYS 37 HZ2 LYS 37 19.435 0.064 -4.146 280 HZ3 LYS 37 HZ3 LYS 37 19.519 -1.610 -4.381 281 H ALA 38 H ALA 38 13.081 -3.332 -2.290 282 HA ALA 38 HA ALA 38 12.225 -1.370 -4.255 283 HB1 ALA 38 HB1 ALA 38 11.803 -4.388 -4.172 284 HB2 ALA 38 HB2 ALA 38 13.124 -3.560 -4.999 285 HB3 ALA 38 HB3 ALA 38 11.459 -3.332 -5.545 286 H THR 39 H THR 39 10.850 -3.535 -1.811 287 HA THR 39 HA THR 39 8.088 -3.037 -2.309 288 HB THR 39 HB THR 39 9.472 -4.030 0.232 289 HG1 THR 39 HG1 THR 39 9.576 -5.324 -1.790 290 HG21 THR 39 HG21 THR 39 6.517 -4.154 -0.501 291 HG22 THR 39 HG22 THR 39 7.212 -3.148 0.769 292 HG23 THR 39 HG23 THR 39 7.270 -4.901 0.923 293 H ILE 40 H ILE 40 10.389 -1.733 0.112 294 HA ILE 40 HA ILE 40 8.641 0.090 1.347 295 HB ILE 40 HB ILE 40 11.683 -0.025 1.233 296 HG12 ILE 40 HG12 ILE 40 10.380 -1.767 2.556 297 HG13 ILE 40 HG13 ILE 40 11.535 -0.845 3.510 298 HG21 ILE 40 HG21 ILE 40 11.170 2.352 1.508 299 HG22 ILE 40 HG22 ILE 40 11.763 1.699 3.035 300 HG23 ILE 40 HG23 ILE 40 10.037 1.992 2.814 301 HD11 ILE 40 HD11 ILE 40 8.550 -0.392 3.426 302 HD12 ILE 40 HD12 ILE 40 9.707 0.546 4.376 303 HD13 ILE 40 HD13 ILE 40 9.466 -1.165 4.717 304 H LEU 41 H LEU 41 11.225 0.776 -1.069 305 HA LEU 41 HA LEU 41 10.731 3.500 -1.410 306 HB2 LEU 41 HB2 LEU 41 12.771 2.950 -2.264 307 HB3 LEU 41 HB3 LEU 41 12.247 1.417 -2.899 308 HG LEU 41 HG LEU 41 11.405 3.908 -4.378 309 HD11 LEU 41 HD11 LEU 41 14.181 2.692 -4.612 310 HD12 LEU 41 HD12 LEU 41 13.800 4.283 -3.946 311 HD13 LEU 41 HD13 LEU 41 13.499 3.951 -5.650 312 HD21 LEU 41 HD21 LEU 41 11.612 2.440 -6.342 313 HD22 LEU 41 HD22 LEU 41 10.561 1.719 -5.128 314 HD23 LEU 41 HD23 LEU 41 12.213 1.128 -5.317 315 H GLN 42 H GLN 42 9.074 0.766 -2.877 316 HA GLN 42 HA GLN 42 7.676 2.363 -4.857 317 HB2 GLN 42 HB2 GLN 42 8.190 0.004 -5.341 318 HB3 GLN 42 HB3 GLN 42 7.282 -0.515 -3.930 319 HG2 GLN 42 HG2 GLN 42 5.988 -0.964 -5.907 320 HG3 GLN 42 HG3 GLN 42 5.196 0.317 -4.997 321 HE21 GLN 42 HE21 GLN 42 4.893 -0.368 -7.811 322 HE22 GLN 42 HE22 GLN 42 5.313 1.040 -8.711 323 H THR 43 H THR 43 7.037 0.889 -1.707 324 HA THR 43 HA THR 43 4.322 1.582 -1.394 325 HB THR 43 HB THR 43 6.453 1.069 0.740 326 HG1 THR 43 HG1 THR 43 5.526 -0.602 -0.887 327 HG21 THR 43 HG21 THR 43 4.601 2.350 1.761 328 HG22 THR 43 HG22 THR 43 4.595 0.677 2.326 329 HG23 THR 43 HG23 THR 43 3.434 1.201 1.104 330 H LEU 44 H LEU 44 7.320 3.391 -0.781 331 HA LEU 44 HA LEU 44 6.306 5.469 0.837 332 HB2 LEU 44 HB2 LEU 44 8.695 5.522 -1.051 333 HB3 LEU 44 HB3 LEU 44 8.362 6.738 0.175 334 HG LEU 44 HG LEU 44 9.048 3.825 0.696 335 HD11 LEU 44 HD11 LEU 44 10.972 5.059 -0.097 336 HD12 LEU 44 HD12 LEU 44 11.157 4.632 1.601 337 HD13 LEU 44 HD13 LEU 44 10.733 6.288 1.153 338 HD21 LEU 44 HD21 LEU 44 7.523 4.669 2.427 339 HD22 LEU 44 HD22 LEU 44 8.624 6.013 2.745 340 HD23 LEU 44 HD23 LEU 44 9.136 4.353 3.070 341 H ARG 45 H ARG 45 6.236 4.960 -2.617 342 HA ARG 45 HA ARG 45 5.335 7.690 -3.198 343 HB2 ARG 45 HB2 ARG 45 6.959 6.510 -4.716 344 HB3 ARG 45 HB3 ARG 45 5.695 5.347 -5.113 345 HG2 ARG 45 HG2 ARG 45 4.333 7.083 -6.121 346 HG3 ARG 45 HG3 ARG 45 5.455 8.339 -5.589 347 HD2 ARG 45 HD2 ARG 45 7.211 7.327 -7.047 348 HD3 ARG 45 HD3 ARG 45 6.014 6.155 -7.621 349 HE ARG 45 HE ARG 45 5.550 9.057 -7.928 350 HH11 ARG 45 HH11 ARG 45 5.974 5.895 -9.444 351 HH12 ARG 45 HH12 ARG 45 5.496 6.457 -11.011 352 HH21 ARG 45 HH21 ARG 45 4.956 9.762 -9.985 353 HH22 ARG 45 HH22 ARG 45 4.929 8.654 -11.315 354 H ILE 46 H ILE 46 4.126 4.319 -3.501 355 HA ILE 46 HA ILE 46 1.524 4.957 -4.458 356 HB ILE 46 HB ILE 46 2.495 2.456 -3.001 357 HG12 ILE 46 HG12 ILE 46 2.161 3.069 -5.969 358 HG13 ILE 46 HG13 ILE 46 3.683 2.823 -5.119 359 HG21 ILE 46 HG21 ILE 46 0.499 1.294 -3.921 360 HG22 ILE 46 HG22 ILE 46 -0.098 2.828 -4.553 361 HG23 ILE 46 HG23 ILE 46 0.044 2.590 -2.812 362 HD11 ILE 46 HD11 ILE 46 1.556 0.745 -5.637 363 HD12 ILE 46 HD12 ILE 46 3.034 0.475 -4.711 364 HD13 ILE 46 HD13 ILE 46 3.128 0.883 -6.422 365 H GLU 47 H GLU 47 2.881 5.035 -1.305 366 HA GLU 47 HA GLU 47 0.756 4.485 0.413 367 HB2 GLU 47 HB2 GLU 47 3.394 5.159 0.768 368 HB3 GLU 47 HB3 GLU 47 2.651 6.642 1.263 369 HG2 GLU 47 HG2 GLU 47 2.207 3.917 2.466 370 HG3 GLU 47 HG3 GLU 47 3.137 5.221 3.180 371 H ARG 48 H ARG 48 1.735 7.602 -1.034 372 HA ARG 48 HA ARG 48 -0.283 9.178 0.171 373 HB2 ARG 48 HB2 ARG 48 0.175 10.880 -1.537 374 HB3 ARG 48 HB3 ARG 48 1.660 10.260 -0.839 375 HG2 ARG 48 HG2 ARG 48 2.190 9.051 -2.840 376 HG3 ARG 48 HG3 ARG 48 0.590 9.344 -3.523 377 HD2 ARG 48 HD2 ARG 48 2.367 10.795 -4.511 378 HD3 ARG 48 HD3 ARG 48 1.056 11.710 -3.762 379 HE ARG 48 HE ARG 48 3.131 11.346 -1.890 380 HH11 ARG 48 HH11 ARG 48 2.567 13.094 -4.878 381 HH12 ARG 48 HH12 ARG 48 3.564 14.434 -4.415 382 HH21 ARG 48 HH21 ARG 48 4.432 13.124 -1.297 383 HH22 ARG 48 HH22 ARG 48 4.611 14.453 -2.396 384 H ASP 49 H ASP 49 -0.165 7.403 -2.914 385 HA ASP 49 HA ASP 49 -2.638 8.192 -4.001 386 HB2 ASP 49 HB2 ASP 49 -1.190 5.521 -4.326 387 HB3 ASP 49 HB3 ASP 49 -2.514 6.080 -5.347 388 H GLU 50 H GLU 50 -1.818 5.660 -1.677 389 HA GLU 50 HA GLU 50 -4.366 4.405 -1.544 390 HB2 GLU 50 HB2 GLU 50 -2.057 4.414 0.447 391 HB3 GLU 50 HB3 GLU 50 -3.478 3.378 0.579 392 HG2 GLU 50 HG2 GLU 50 -1.384 3.325 -1.613 393 HG3 GLU 50 HG3 GLU 50 -1.641 2.112 -0.364 394 H ARG 51 H ARG 51 -2.896 7.090 0.202 395 HA ARG 51 HA ARG 51 -5.038 7.348 2.125 396 HB2 ARG 51 HB2 ARG 51 -2.821 9.312 1.413 397 HB3 ARG 51 HB3 ARG 51 -3.889 9.433 2.813 398 HG2 ARG 51 HG2 ARG 51 -2.955 7.168 3.545 399 HG3 ARG 51 HG3 ARG 51 -1.739 7.367 2.282 400 HD2 ARG 51 HD2 ARG 51 -0.779 8.097 4.357 401 HD3 ARG 51 HD3 ARG 51 -1.074 9.537 3.376 402 HE ARG 51 HE ARG 51 -3.321 9.469 4.812 403 HH11 ARG 51 HH11 ARG 51 -0.021 8.994 5.920 404 HH12 ARG 51 HH12 ARG 51 -0.324 9.674 7.486 405 HH21 ARG 51 HH21 ARG 51 -3.712 10.305 6.891 406 HH22 ARG 51 HH22 ARG 51 -2.417 10.411 8.040 407 H LEU 52 H LEU 52 -4.329 8.626 -1.071 408 HA LEU 52 HA LEU 52 -6.283 10.742 -1.010 409 HB2 LEU 52 HB2 LEU 52 -4.848 9.442 -3.363 410 HB3 LEU 52 HB3 LEU 52 -5.890 10.853 -3.493 411 HG LEU 52 HG LEU 52 -3.268 10.717 -1.959 412 HD11 LEU 52 HD11 LEU 52 -2.379 12.242 -3.632 413 HD12 LEU 52 HD12 LEU 52 -3.906 12.199 -4.516 414 HD13 LEU 52 HD13 LEU 52 -2.927 10.738 -4.370 415 HD21 LEU 52 HD21 LEU 52 -3.525 13.136 -1.574 416 HD22 LEU 52 HD22 LEU 52 -4.798 12.203 -0.798 417 HD23 LEU 52 HD23 LEU 52 -5.140 13.080 -2.291 418 H ARG 53 H ARG 53 -6.208 7.456 -2.483 419 HA ARG 53 HA ARG 53 -8.938 7.499 -3.328 420 HB2 ARG 53 HB2 ARG 53 -8.727 5.070 -3.664 421 HB3 ARG 53 HB3 ARG 53 -7.327 5.917 -4.311 422 HG2 ARG 53 HG2 ARG 53 -6.067 5.323 -2.232 423 HG3 ARG 53 HG3 ARG 53 -7.450 4.361 -1.713 424 HD2 ARG 53 HD2 ARG 53 -5.939 3.885 -4.306 425 HD3 ARG 53 HD3 ARG 53 -5.570 3.070 -2.782 426 HE ARG 53 HE ARG 53 -8.318 2.850 -3.722 427 HH11 ARG 53 HH11 ARG 53 -5.172 1.287 -3.423 428 HH12 ARG 53 HH12 ARG 53 -5.786 -0.276 -3.853 429 HH21 ARG 53 HH21 ARG 53 -9.102 0.804 -4.237 430 HH22 ARG 53 HH22 ARG 53 -8.027 -0.551 -4.311 431 H ALA 54 H ALA 54 -7.446 6.925 -0.233 432 HA ALA 54 HA ALA 54 -9.692 5.777 1.119 433 HB1 ALA 54 HB1 ALA 54 -7.397 5.658 2.030 434 HB2 ALA 54 HB2 ALA 54 -8.504 6.399 3.186 435 HB3 ALA 54 HB3 ALA 54 -7.389 7.407 2.260 436 H CYS 55 H CYS 55 -8.621 9.122 0.489 437 HA CYS 55 HA CYS 55 -10.949 10.247 1.906 438 HB2 CYS 55 HB2 CYS 55 -9.822 12.426 1.635 439 HB3 CYS 55 HB3 CYS 55 -8.761 11.253 2.401 440 HG CYS 55 HG CYS 55 -6.824 11.457 0.737 441 H ASP 56 H ASP 56 -10.648 8.931 -0.981 442 HA ASP 56 HA ASP 56 -11.462 10.854 -2.901 443 HB2 ASP 56 HB2 ASP 56 -10.480 8.658 -3.489 444 HB3 ASP 56 HB3 ASP 56 -11.896 7.839 -2.850 445 H TRP 57 H TRP 57 -13.212 9.184 -0.435 446 HA TRP 57 HA TRP 57 -15.822 9.186 -1.493 447 HB2 TRP 57 HB2 TRP 57 -16.584 8.632 0.716 448 HB3 TRP 57 HB3 TRP 57 -15.032 7.835 0.495 449 HD1 TRP 57 HD1 TRP 57 -12.886 9.026 1.852 450 HE1 TRP 57 HE1 TRP 57 -12.865 10.277 4.099 451 HE3 TRP 57 HE3 TRP 57 -17.873 10.098 2.231 452 HZ2 TRP 57 HZ2 TRP 57 -14.713 11.549 5.811 453 HZ3 TRP 57 HZ3 TRP 57 -18.667 11.348 4.200 454 HH2 TRP 57 HH2 TRP 57 -17.117 12.055 5.953 455 H THR 58 H THR 58 -13.934 11.764 -0.082 456 HA THR 58 HA THR 58 -16.256 13.535 0.255 457 HB THR 58 HB THR 58 -14.517 15.213 1.030 458 HG1 THR 58 HG1 THR 58 -12.465 13.938 1.619 459 HG21 THR 58 HG21 THR 58 -15.744 13.798 2.636 460 HG22 THR 58 HG22 THR 58 -14.095 14.110 3.173 461 HG23 THR 58 HG23 THR 58 -14.509 12.549 2.469 462 H GLN 59 H GLN 59 -14.020 12.703 -2.178 463 HA GLN 59 HA GLN 59 -13.928 15.341 -3.454 464 HB2 GLN 59 HB2 GLN 59 -12.683 12.747 -4.454 465 HB3 GLN 59 HB3 GLN 59 -12.260 14.395 -4.919 466 HG2 GLN 59 HG2 GLN 59 -11.790 13.079 -2.234 467 HG3 GLN 59 HG3 GLN 59 -10.571 13.507 -3.429 468 HE21 GLN 59 HE21 GLN 59 -10.889 14.264 -0.575 469 HE22 GLN 59 HE22 GLN 59 -10.849 15.993 -0.558 470 H VAL 60 H VAL 60 -15.669 12.356 -3.737 471 HA VAL 60 HA VAL 60 -16.822 12.791 -6.313 472 HB VAL 60 HB VAL 60 -18.562 11.199 -5.674 473 HG11 VAL 60 HG11 VAL 60 -17.170 9.232 -5.118 474 HG12 VAL 60 HG12 VAL 60 -15.850 10.297 -4.629 475 HG13 VAL 60 HG13 VAL 60 -16.380 10.264 -6.313 476 HG21 VAL 60 HG21 VAL 60 -19.070 11.960 -3.387 477 HG22 VAL 60 HG22 VAL 60 -17.517 11.349 -2.811 478 HG23 VAL 60 HG23 VAL 60 -18.744 10.226 -3.402 479 H GLN 61 H GLN 61 -18.903 13.683 -6.834 480 HA GLN 61 HA GLN 61 -19.496 16.108 -5.387 481 HB2 GLN 61 HB2 GLN 61 -21.066 16.610 -7.213 482 HB3 GLN 61 HB3 GLN 61 -19.512 16.082 -7.848 483 HG2 GLN 61 HG2 GLN 61 -20.451 13.845 -8.301 484 HG3 GLN 61 HG3 GLN 61 -22.019 14.372 -7.681 485 HE21 GLN 61 HE21 GLN 61 -23.207 15.928 -8.890 486 HE22 GLN 61 HE22 GLN 61 -22.893 16.190 -10.568 487 H ASP 62 H ASP 62 -20.652 12.918 -5.200 488 HA ASP 62 HA ASP 62 -23.393 13.384 -4.559 489 HB2 ASP 62 HB2 ASP 62 -22.597 11.220 -5.448 490 HB3 ASP 62 HB3 ASP 62 -21.629 10.960 -4.000 491 H VAL 63 H VAL 63 -20.443 13.232 -2.573 492 HA VAL 63 HA VAL 63 -21.626 12.707 -0.062 493 HB VAL 63 HB VAL 63 -19.168 12.483 -0.549 494 HG11 VAL 63 HG11 VAL 63 -19.077 15.501 -0.250 495 HG12 VAL 63 HG12 VAL 63 -18.752 14.594 -1.725 496 HG13 VAL 63 HG13 VAL 63 -17.674 14.431 -0.343 497 HG21 VAL 63 HG21 VAL 63 -19.991 12.385 1.761 498 HG22 VAL 63 HG22 VAL 63 -19.857 14.138 1.904 499 HG23 VAL 63 HG23 VAL 63 -18.402 13.159 1.708 500 H VAL 64 H VAL 64 -22.572 13.983 1.446 501 HA VAL 64 HA VAL 64 -23.092 16.822 0.822 502 HB VAL 64 HB VAL 64 -24.513 15.004 2.833 503 HG11 VAL 64 HG11 VAL 64 -26.248 16.781 2.910 504 HG12 VAL 64 HG12 VAL 64 -25.271 17.788 1.842 505 HG13 VAL 64 HG13 VAL 64 -24.684 17.385 3.458 506 HG21 VAL 64 HG21 VAL 64 -25.404 15.815 0.034 507 HG22 VAL 64 HG22 VAL 64 -26.385 14.921 1.198 508 HG23 VAL 64 HG23 VAL 64 -24.914 14.197 0.546 509 H LEU 65 H LEU 65 -21.485 18.017 1.660 510 HA LEU 65 HA LEU 65 -20.991 18.007 4.553 511 HB2 LEU 65 HB2 LEU 65 -18.850 17.862 2.386 512 HB3 LEU 65 HB3 LEU 65 -18.507 18.415 4.012 513 HG LEU 65 HG LEU 65 -19.512 15.620 3.350 514 HD11 LEU 65 HD11 LEU 65 -16.664 16.523 3.932 515 HD12 LEU 65 HD12 LEU 65 -17.290 15.954 2.382 516 HD13 LEU 65 HD13 LEU 65 -17.212 14.849 3.749 517 HD21 LEU 65 HD21 LEU 65 -18.848 15.069 5.654 518 HD22 LEU 65 HD22 LEU 65 -20.071 16.337 5.632 519 HD23 LEU 65 HD23 LEU 65 -18.380 16.750 5.936 520 H THR 66 H THR 66 -19.831 20.090 5.160 521 HA THR 66 HA THR 66 -20.965 22.382 3.826 522 HB THR 66 HB THR 66 -19.693 23.734 5.490 523 HG1 THR 66 HG1 THR 66 -18.674 22.077 7.158 524 HG21 THR 66 HG21 THR 66 -20.733 22.881 7.559 525 HG22 THR 66 HG22 THR 66 -21.061 21.336 6.774 526 HG23 THR 66 HG23 THR 66 -21.870 22.804 6.214 527 H ALA 67 H ALA 67 -19.526 24.267 3.166 528 HA ALA 67 HA ALA 67 -17.759 23.645 1.073 529 HB1 ALA 67 HB1 ALA 67 -17.165 26.061 1.122 530 HB2 ALA 67 HB2 ALA 67 -17.968 26.224 2.686 531 HB3 ALA 67 HB3 ALA 67 -18.908 25.819 1.250 532 H ASP 68 H ASP 68 -17.091 24.790 4.363 533 HA ASP 68 HA ASP 68 -14.351 24.700 4.515 534 HB2 ASP 68 HB2 ASP 68 -15.810 25.546 6.339 535 HB3 ASP 68 HB3 ASP 68 -16.281 23.898 6.736 536 H GLN 69 H GLN 69 -16.549 21.986 5.196 537 HA GLN 69 HA GLN 69 -14.593 20.062 5.901 538 HB2 GLN 69 HB2 GLN 69 -17.421 19.776 4.851 539 HB3 GLN 69 HB3 GLN 69 -16.435 18.363 5.202 540 HG2 GLN 69 HG2 GLN 69 -17.030 20.499 7.262 541 HG3 GLN 69 HG3 GLN 69 -18.049 19.082 7.010 542 HE21 GLN 69 HE21 GLN 69 -17.648 18.415 9.155 543 HE22 GLN 69 HE22 GLN 69 -16.148 17.694 9.607 544 H LYS 70 H LYS 70 -16.226 20.607 2.805 545 HA LYS 70 HA LYS 70 -14.841 18.642 1.283 546 HB2 LYS 70 HB2 LYS 70 -16.512 21.066 0.542 547 HB3 LYS 70 HB3 LYS 70 -15.811 20.002 -0.681 548 HG2 LYS 70 HG2 LYS 70 -17.102 18.127 0.069 549 HG3 LYS 70 HG3 LYS 70 -17.620 18.981 1.526 550 HD2 LYS 70 HD2 LYS 70 -19.037 20.453 0.276 551 HD3 LYS 70 HD3 LYS 70 -18.355 19.920 -1.266 552 HE2 LYS 70 HE2 LYS 70 -19.357 17.679 -0.877 553 HE3 LYS 70 HE3 LYS 70 -20.058 18.273 0.627 554 HZ1 LYS 70 HZ1 LYS 70 -20.654 19.280 -2.098 555 HZ2 LYS 70 HZ2 LYS 70 -21.287 19.921 -0.668 556 HZ3 LYS 70 HZ3 LYS 70 -21.674 18.342 -1.131 557 H ALA 71 H ALA 71 -13.886 21.704 2.417 558 HA ALA 71 HA ALA 71 -12.043 22.342 0.208 559 HB1 ALA 71 HB1 ALA 71 -11.487 24.371 1.529 560 HB2 ALA 71 HB2 ALA 71 -12.549 23.820 2.831 561 HB3 ALA 71 HB3 ALA 71 -13.228 24.243 1.260 562 H THR 72 H THR 72 -11.857 22.053 3.727 563 HA THR 72 HA THR 72 -9.225 21.573 4.228 564 HB THR 72 HB THR 72 -11.509 20.191 5.718 565 HG1 THR 72 HG1 THR 72 -12.034 22.177 6.245 566 HG21 THR 72 HG21 THR 72 -9.267 19.348 6.372 567 HG22 THR 72 HG22 THR 72 -9.998 20.293 7.671 568 HG23 THR 72 HG23 THR 72 -8.734 21.005 6.667 569 H TRP 73 H TRP 73 -11.579 19.115 3.180 570 HA TRP 73 HA TRP 73 -9.797 16.880 3.316 571 HB2 TRP 73 HB2 TRP 73 -12.522 17.335 2.103 572 HB3 TRP 73 HB3 TRP 73 -11.627 15.884 1.661 573 HD1 TRP 73 HD1 TRP 73 -13.904 17.169 4.338 574 HE1 TRP 73 HE1 TRP 73 -14.077 15.435 6.218 575 HE3 TRP 73 HE3 TRP 73 -9.984 14.151 3.028 576 HZ2 TRP 73 HZ2 TRP 73 -12.740 13.104 7.044 577 HZ3 TRP 73 HZ3 TRP 73 -9.500 12.186 4.428 578 HH2 TRP 73 HH2 TRP 73 -10.851 11.675 6.400 579 H ALA 74 H ALA 74 -10.727 19.108 0.694 580 HA ALA 74 HA ALA 74 -9.143 17.847 -1.357 581 HB1 ALA 74 HB1 ALA 74 -9.667 19.869 -2.680 582 HB2 ALA 74 HB2 ALA 74 -10.324 20.646 -1.235 583 HB3 ALA 74 HB3 ALA 74 -11.117 19.219 -1.904 584 H LYS 75 H LYS 75 -8.521 20.106 1.192 585 HA LYS 75 HA LYS 75 -6.049 21.187 0.057 586 HB2 LYS 75 HB2 LYS 75 -7.398 21.656 2.760 587 HB3 LYS 75 HB3 LYS 75 -5.903 22.435 2.244 588 HG2 LYS 75 HG2 LYS 75 -7.135 23.524 0.382 589 HG3 LYS 75 HG3 LYS 75 -8.620 22.762 0.938 590 HD2 LYS 75 HD2 LYS 75 -8.717 24.971 1.770 591 HD3 LYS 75 HD3 LYS 75 -8.261 23.994 3.164 592 HE2 LYS 75 HE2 LYS 75 -6.327 25.598 1.452 593 HE3 LYS 75 HE3 LYS 75 -7.002 26.149 2.981 594 HZ1 LYS 75 HZ1 LYS 75 -5.932 24.185 4.019 595 HZ2 LYS 75 HZ2 LYS 75 -4.855 25.315 3.380 596 HZ3 LYS 75 HZ3 LYS 75 -5.155 23.878 2.548 597 H TYR 76 H TYR 76 -7.209 18.774 2.317 598 HA TYR 76 HA TYR 76 -4.813 17.907 3.499 599 HB2 TYR 76 HB2 TYR 76 -6.872 16.945 4.299 600 HB3 TYR 76 HB3 TYR 76 -7.349 16.419 2.691 601 HD1 TYR 76 HD2 TYR 76 -4.302 15.903 4.868 602 HD2 TYR 76 HD1 TYR 76 -7.372 14.063 2.520 603 HE1 TYR 76 HE2 TYR 76 -3.342 13.703 5.322 604 HE2 TYR 76 HE1 TYR 76 -6.392 11.851 2.975 605 HH TYR 76 HH TYR 76 -3.791 11.443 5.277 606 H ARG 77 H ARG 77 -6.313 17.174 0.373 607 HA ARG 77 HA ARG 77 -4.477 15.197 -0.529 608 HB2 ARG 77 HB2 ARG 77 -6.136 17.114 -2.217 609 HB3 ARG 77 HB3 ARG 77 -5.326 15.660 -2.801 610 HG2 ARG 77 HG2 ARG 77 -6.812 14.335 -1.236 611 HG3 ARG 77 HG3 ARG 77 -7.718 15.831 -0.950 612 HD2 ARG 77 HD2 ARG 77 -7.262 14.491 -3.634 613 HD3 ARG 77 HD3 ARG 77 -8.763 14.467 -2.709 614 HE ARG 77 HE ARG 77 -8.353 17.108 -3.053 615 HH11 ARG 77 HH11 ARG 77 -8.298 14.464 -5.353 616 HH12 ARG 77 HH12 ARG 77 -8.886 15.433 -6.662 617 HH21 ARG 77 HH21 ARG 77 -9.136 18.369 -4.786 618 HH22 ARG 77 HH22 ARG 77 -9.356 17.640 -6.344 619 H GLN 78 H GLN 78 -4.733 18.692 -1.178 620 HA GLN 78 HA GLN 78 -2.558 18.864 -2.957 621 HB2 GLN 78 HB2 GLN 78 -4.448 20.473 -2.924 622 HB3 GLN 78 HB3 GLN 78 -3.948 21.048 -1.339 623 HG2 GLN 78 HG2 GLN 78 -3.279 22.606 -3.104 624 HG3 GLN 78 HG3 GLN 78 -1.879 21.939 -2.271 625 HE21 GLN 78 HE21 GLN 78 -3.733 20.252 -4.799 626 HE22 GLN 78 HE22 GLN 78 -2.461 20.264 -5.965 627 H ALA 79 H ALA 79 -2.845 19.216 0.527 628 HA ALA 79 HA ALA 79 -0.149 20.146 0.984 629 HB1 ALA 79 HB1 ALA 79 -0.656 19.756 3.362 630 HB2 ALA 79 HB2 ALA 79 -2.150 18.925 2.914 631 HB3 ALA 79 HB3 ALA 79 -1.956 20.644 2.568 632 H LEU 80 H LEU 80 -1.733 17.004 0.723 633 HA LEU 80 HA LEU 80 0.249 15.440 2.049 634 HB2 LEU 80 HB2 LEU 80 -2.272 14.942 1.522 635 HB3 LEU 80 HB3 LEU 80 -1.706 14.414 -0.047 636 HG LEU 80 HG LEU 80 -0.875 13.177 2.617 637 HD11 LEU 80 HD11 LEU 80 -2.327 11.315 2.073 638 HD12 LEU 80 HD12 LEU 80 -2.824 12.088 0.564 639 HD13 LEU 80 HD13 LEU 80 -3.259 12.809 2.115 640 HD21 LEU 80 HD21 LEU 80 0.836 12.863 0.919 641 HD22 LEU 80 HD22 LEU 80 -0.363 12.224 -0.209 642 HD23 LEU 80 HD23 LEU 80 0.026 11.336 1.268 643 H ARG 81 H ARG 81 -0.540 16.099 -1.364 644 HA ARG 81 HA ARG 81 1.667 14.700 -2.488 645 HB2 ARG 81 HB2 ARG 81 1.081 15.838 -4.613 646 HB3 ARG 81 HB3 ARG 81 -0.307 15.079 -3.853 647 HG2 ARG 81 HG2 ARG 81 -1.323 17.116 -3.332 648 HG3 ARG 81 HG3 ARG 81 0.192 18.014 -3.372 649 HD2 ARG 81 HD2 ARG 81 -1.160 16.848 -5.835 650 HD3 ARG 81 HD3 ARG 81 -1.352 18.519 -5.285 651 HE ARG 81 HE ARG 81 1.376 18.034 -5.465 652 HH11 ARG 81 HH11 ARG 81 -1.299 18.220 -7.734 653 HH12 ARG 81 HH12 ARG 81 -0.286 18.752 -9.036 654 HH21 ARG 81 HH21 ARG 81 2.659 18.716 -7.166 655 HH22 ARG 81 HH22 ARG 81 1.953 19.026 -8.718 656 H ASP 82 H ASP 82 1.272 17.892 -1.190 657 HA ASP 82 HA ASP 82 3.447 19.246 -2.403 658 HB2 ASP 82 HB2 ASP 82 1.579 20.382 -1.190 659 HB3 ASP 82 HB3 ASP 82 2.167 19.713 0.326 660 H LEU 83 H LEU 83 3.150 17.547 0.752 661 HA LEU 83 HA LEU 83 5.946 17.744 1.371 662 HB2 LEU 83 HB2 LEU 83 3.650 16.207 2.626 663 HB3 LEU 83 HB3 LEU 83 5.306 15.886 3.108 664 HG LEU 83 HG LEU 83 5.529 18.358 3.680 665 HD11 LEU 83 HD11 LEU 83 2.516 18.387 3.452 666 HD12 LEU 83 HD12 LEU 83 3.649 19.237 2.397 667 HD13 LEU 83 HD13 LEU 83 3.535 19.678 4.099 668 HD21 LEU 83 HD21 LEU 83 4.468 18.142 5.881 669 HD22 LEU 83 HD22 LEU 83 5.292 16.654 5.416 670 HD23 LEU 83 HD23 LEU 83 3.534 16.757 5.302 671 HA PRO 84 HA PRO 84 7.430 15.077 -1.596 672 HB2 PRO 84 HB2 PRO 84 9.840 14.211 -0.592 673 HB3 PRO 84 HB3 PRO 84 9.534 15.884 -1.074 674 HG2 PRO 84 HG2 PRO 84 9.415 14.663 1.683 675 HG3 PRO 84 HG3 PRO 84 10.205 16.172 1.170 676 HD2 PRO 84 HD2 PRO 84 7.776 16.192 2.357 677 HD3 PRO 84 HD3 PRO 84 8.173 17.349 1.066 678 H GLU 85 H GLU 85 6.664 13.153 -2.273 679 HA GLU 85 HA GLU 85 6.688 10.694 -0.812 680 HB2 GLU 85 HB2 GLU 85 6.515 9.634 -3.142 681 HB3 GLU 85 HB3 GLU 85 5.245 10.782 -2.748 682 HG2 GLU 85 HG2 GLU 85 6.308 12.505 -4.120 683 HG3 GLU 85 HG3 GLU 85 7.673 11.443 -4.449 684 H THR 86 H THR 86 8.727 10.622 0.196 685 HA THR 86 HA THR 86 11.182 11.209 -1.084 686 HB THR 86 HB THR 86 10.763 9.706 1.535 687 HG1 THR 86 HG1 THR 86 10.458 12.386 0.809 688 HG21 THR 86 HG21 THR 86 13.106 9.608 0.738 689 HG22 THR 86 HG22 THR 86 12.968 10.662 2.149 690 HG23 THR 86 HG23 THR 86 13.117 11.358 0.534 691 H VAL 87 H VAL 87 11.069 9.953 -2.927 692 HA VAL 87 HA VAL 87 11.894 7.122 -2.700 693 HB VAL 87 HB VAL 87 10.590 8.568 -5.074 694 HG11 VAL 87 HG11 VAL 87 10.397 6.332 -6.126 695 HG12 VAL 87 HG12 VAL 87 11.278 5.617 -4.776 696 HG13 VAL 87 HG13 VAL 87 12.084 6.765 -5.841 697 HG21 VAL 87 HG21 VAL 87 8.978 8.238 -3.235 698 HG22 VAL 87 HG22 VAL 87 9.368 6.515 -3.180 699 HG23 VAL 87 HG23 VAL 87 8.580 7.199 -4.607 700 H THR 88 H THR 88 12.622 10.369 -3.747 701 HA THR 88 HA THR 88 14.815 10.264 -5.383 702 HB THR 88 HB THR 88 14.591 12.005 -2.873 703 HG1 THR 88 HG1 THR 88 13.149 11.992 -5.252 704 HG21 THR 88 HG21 THR 88 15.973 12.556 -5.530 705 HG22 THR 88 HG22 THR 88 16.789 12.199 -4.006 706 HG23 THR 88 HG23 THR 88 15.852 13.681 -4.165 707 H ASP 89 H ASP 89 14.672 9.715 -1.910 708 HA ASP 89 HA ASP 89 17.044 7.984 -1.999 709 HB2 ASP 89 HB2 ASP 89 17.735 10.225 -1.061 710 HB3 ASP 89 HB3 ASP 89 16.504 10.067 0.186 711 H LEU 90 H LEU 90 16.882 6.240 -0.448 712 HA LEU 90 HA LEU 90 14.189 5.456 0.234 713 HB2 LEU 90 HB2 LEU 90 16.059 3.851 -0.444 714 HB3 LEU 90 HB3 LEU 90 16.787 4.146 1.122 715 HG LEU 90 HG LEU 90 14.626 3.262 2.175 716 HD11 LEU 90 HD11 LEU 90 13.146 3.551 0.270 717 HD12 LEU 90 HD12 LEU 90 13.178 1.864 0.773 718 HD13 LEU 90 HD13 LEU 90 14.070 2.367 -0.664 719 HD21 LEU 90 HD21 LEU 90 16.226 1.310 0.481 720 HD22 LEU 90 HD22 LEU 90 15.226 0.896 1.877 721 HD23 LEU 90 HD23 LEU 90 16.663 1.892 2.090 722 H SER 91 H SER 91 13.445 7.016 1.678 723 HA SER 91 HA SER 91 14.284 6.734 4.472 724 HB2 SER 91 HB2 SER 91 14.147 9.445 3.060 725 HB3 SER 91 HB3 SER 91 14.239 9.245 4.813 726 HG SER 91 HG SER 91 16.152 8.107 3.067 727 H GLN 92 H GLN 92 12.666 7.640 5.943 728 HA GLN 92 HA GLN 92 10.086 6.693 5.341 729 HB2 GLN 92 HB2 GLN 92 9.471 7.624 7.592 730 HB3 GLN 92 HB3 GLN 92 10.929 6.639 7.615 731 HG2 GLN 92 HG2 GLN 92 12.294 8.725 7.586 732 HG3 GLN 92 HG3 GLN 92 10.806 9.667 7.680 733 HE21 GLN 92 HE21 GLN 92 11.388 10.600 9.638 734 HE22 GLN 92 HE22 GLN 92 11.423 9.727 11.125 735 H ILE 93 H ILE 93 8.137 7.701 4.975 736 HA ILE 93 HA ILE 93 8.261 10.380 3.783 737 HB ILE 93 HB ILE 93 5.812 9.633 2.998 738 HG12 ILE 93 HG12 ILE 93 5.758 7.131 2.467 739 HG13 ILE 93 HG13 ILE 93 7.118 6.916 3.554 740 HG21 ILE 93 HG21 ILE 93 7.676 10.125 1.487 741 HG22 ILE 93 HG22 ILE 93 6.786 8.708 0.934 742 HG23 ILE 93 HG23 ILE 93 8.342 8.507 1.742 743 HD11 ILE 93 HD11 ILE 93 5.730 7.569 5.434 744 HD12 ILE 93 HD12 ILE 93 5.000 6.243 4.529 745 HD13 ILE 93 HD13 ILE 93 4.378 7.883 4.344 746 H VAL 94 H VAL 94 7.328 12.180 4.716 747 HA VAL 94 HA VAL 94 5.249 11.777 6.766 748 HB VAL 94 HB VAL 94 7.330 12.612 7.796 749 HG11 VAL 94 HG11 VAL 94 8.371 13.745 5.887 750 HG12 VAL 94 HG12 VAL 94 8.290 14.831 7.274 751 HG13 VAL 94 HG13 VAL 94 7.147 15.014 5.939 752 HG21 VAL 94 HG21 VAL 94 5.160 14.736 7.724 753 HG22 VAL 94 HG22 VAL 94 6.403 14.581 8.966 754 HG23 VAL 94 HG23 VAL 94 5.190 13.314 8.772 755 H TRP 95 H TRP 95 3.403 12.562 6.219 756 HA TRP 95 HA TRP 95 3.091 15.051 4.739 757 HB2 TRP 95 HB2 TRP 95 1.005 13.751 3.608 758 HB3 TRP 95 HB3 TRP 95 2.585 13.838 2.854 759 HD1 TRP 95 HD1 TRP 95 0.965 11.358 5.425 760 HE1 TRP 95 HE1 TRP 95 1.488 8.982 4.588 761 HE3 TRP 95 HE3 TRP 95 3.606 12.517 1.176 762 HZ2 TRP 95 HZ2 TRP 95 2.816 7.791 2.480 763 HZ3 TRP 95 HZ3 TRP 95 4.450 10.662 -0.220 764 HH2 TRP 95 HH2 TRP 95 4.038 8.325 0.439 765 HA PRO 96 HA PRO 96 0.084 16.026 7.856 766 HB2 PRO 96 HB2 PRO 96 -2.213 16.838 6.501 767 HB3 PRO 96 HB3 PRO 96 -0.782 17.848 6.731 768 HG2 PRO 96 HG2 PRO 96 -1.532 16.146 4.360 769 HG3 PRO 96 HG3 PRO 96 -0.936 17.821 4.384 770 HD2 PRO 96 HD2 PRO 96 0.740 15.826 3.815 771 HD3 PRO 96 HD3 PRO 96 1.285 17.157 4.870 772 H GLN 97 H GLN 97 -1.371 15.059 9.097 773 HA GLN 97 HA GLN 97 -2.819 12.668 8.326 774 HB2 GLN 97 HB2 GLN 97 -1.988 12.805 10.619 775 HB3 GLN 97 HB3 GLN 97 -2.794 14.346 10.882 776 HG2 GLN 97 HG2 GLN 97 -3.925 12.470 12.025 777 HG3 GLN 97 HG3 GLN 97 -4.970 13.271 10.850 778 HE21 GLN 97 HE21 GLN 97 -6.323 11.551 10.557 779 HE22 GLN 97 HE22 GLN 97 -5.840 10.072 9.798 780 H LEU 98 H LEU 98 -5.123 12.524 8.083 781 HA LEU 98 HA LEU 98 -6.336 14.831 6.900 782 HB2 LEU 98 HB2 LEU 98 -8.323 13.282 6.593 783 HB3 LEU 98 HB3 LEU 98 -6.827 12.799 5.840 784 HG LEU 98 HG LEU 98 -6.540 11.234 7.931 785 HD11 LEU 98 HD11 LEU 98 -8.382 12.112 9.281 786 HD12 LEU 98 HD12 LEU 98 -8.624 10.409 8.906 787 HD13 LEU 98 HD13 LEU 98 -9.542 11.641 8.035 788 HD21 LEU 98 HD21 LEU 98 -7.748 9.422 6.787 789 HD22 LEU 98 HD22 LEU 98 -6.839 10.413 5.648 790 HD23 LEU 98 HD23 LEU 98 -8.589 10.607 5.779 791 HA PRO 99 HA PRO 99 -8.051 17.123 10.056 792 HB2 PRO 99 HB2 PRO 99 -10.749 17.504 9.405 793 HB3 PRO 99 HB3 PRO 99 -9.398 18.361 8.661 794 HG2 PRO 99 HG2 PRO 99 -10.845 15.900 7.677 795 HG3 PRO 99 HG3 PRO 99 -10.374 17.357 6.770 796 HD2 PRO 99 HD2 PRO 99 -8.903 15.163 6.561 797 HD3 PRO 99 HD3 PRO 99 -8.093 16.740 6.726 798 H VAL 100 H VAL 100 -9.891 14.188 9.506 799 HA VAL 100 HA VAL 100 -11.317 14.251 12.020 800 HB VAL 100 HB VAL 100 -11.023 11.886 10.108 801 HG11 VAL 100 HG11 VAL 100 -13.110 11.048 11.170 802 HG12 VAL 100 HG12 VAL 100 -13.111 12.433 12.265 803 HG13 VAL 100 HG13 VAL 100 -11.821 11.233 12.363 804 HG21 VAL 100 HG21 VAL 100 -11.944 13.843 8.911 805 HG22 VAL 100 HG22 VAL 100 -13.192 14.030 10.150 806 HG23 VAL 100 HG23 VAL 100 -13.180 12.596 9.122 Start of MODEL 12 1 H MET 1 H MET 1 5.627 -3.623 6.889 2 HA MET 1 HA MET 1 5.853 -4.201 4.565 3 HB2 MET 1 HB2 MET 1 7.335 -2.454 5.468 4 HB3 MET 1 HB3 MET 1 8.483 -3.664 6.017 5 HG2 MET 1 HG2 MET 1 7.831 -3.317 3.075 6 HG3 MET 1 HG3 MET 1 9.072 -2.358 3.882 7 HE1 MET 1 HE1 MET 1 10.877 -3.230 2.094 8 HE2 MET 1 HE2 MET 1 9.603 -4.168 1.314 9 HE3 MET 1 HE3 MET 1 11.126 -4.943 1.738 10 H LEU 2 H LEU 2 6.042 -5.833 3.232 11 HA LEU 2 HA LEU 2 8.066 -7.961 3.676 12 HB2 LEU 2 HB2 LEU 2 6.459 -9.548 2.535 13 HB3 LEU 2 HB3 LEU 2 5.976 -8.989 4.119 14 HG LEU 2 HG LEU 2 4.471 -7.281 2.852 15 HD11 LEU 2 HD11 LEU 2 5.339 -7.546 0.594 16 HD12 LEU 2 HD12 LEU 2 3.636 -7.987 0.654 17 HD13 LEU 2 HD13 LEU 2 4.869 -9.249 0.583 18 HD21 LEU 2 HD21 LEU 2 2.621 -8.874 2.748 19 HD22 LEU 2 HD22 LEU 2 3.604 -9.144 4.186 20 HD23 LEU 2 HD23 LEU 2 3.760 -10.225 2.797 21 H LEU 3 H LEU 3 9.136 -8.778 1.782 22 HA LEU 3 HA LEU 3 9.573 -6.961 -0.324 23 HB2 LEU 3 HB2 LEU 3 10.196 -9.940 -0.389 24 HB3 LEU 3 HB3 LEU 3 11.040 -8.649 -1.237 25 HG LEU 3 HG LEU 3 11.110 -9.172 1.770 26 HD11 LEU 3 HD11 LEU 3 12.378 -10.830 0.510 27 HD12 LEU 3 HD12 LEU 3 13.456 -9.784 1.429 28 HD13 LEU 3 HD13 LEU 3 13.280 -9.554 -0.314 29 HD21 LEU 3 HD21 LEU 3 12.819 -7.395 1.901 30 HD22 LEU 3 HD22 LEU 3 11.270 -6.763 1.355 31 HD23 LEU 3 HD23 LEU 3 12.573 -7.020 0.191 32 H HIS 4 H HIS 4 7.650 -6.490 -1.497 33 HA HIS 4 HA HIS 4 5.724 -8.024 -2.560 34 HB2 HIS 4 HB2 HIS 4 5.886 -5.584 -2.868 35 HB3 HIS 4 HB3 HIS 4 7.234 -5.792 -3.977 36 HD1 HIS 4 HD1 HIS 4 3.532 -6.658 -3.766 37 HD2 HIS 4 HD2 HIS 4 6.488 -5.982 -6.612 38 HE1 HIS 4 HE1 HIS 4 2.353 -6.692 -5.985 39 HE2 HIS 4 HE2 HIS 4 4.172 -6.358 -7.698 40 H SER 5 H SER 5 9.092 -8.171 -3.640 41 HA SER 5 HA SER 5 8.645 -10.639 -5.008 42 HB2 SER 5 HB2 SER 5 7.857 -9.011 -6.770 43 HB3 SER 5 HB3 SER 5 9.475 -8.308 -6.795 44 HG SER 5 HG SER 5 8.871 -11.035 -7.313 45 H VAL 6 H VAL 6 10.322 -11.551 -3.845 46 HA VAL 6 HA VAL 6 13.040 -10.418 -4.131 47 HB VAL 6 HB VAL 6 12.269 -11.138 -1.821 48 HG11 VAL 6 HG11 VAL 6 12.443 -13.969 -2.915 49 HG12 VAL 6 HG12 VAL 6 10.977 -13.141 -2.393 50 HG13 VAL 6 HG13 VAL 6 12.232 -13.534 -1.215 51 HG21 VAL 6 HG21 VAL 6 14.671 -10.896 -2.282 52 HG22 VAL 6 HG22 VAL 6 14.754 -12.554 -2.884 53 HG23 VAL 6 HG23 VAL 6 14.406 -12.250 -1.180 54 H GLU 7 H GLU 7 14.699 -11.614 -5.079 55 HA GLU 7 HA GLU 7 13.932 -13.902 -6.781 56 HB2 GLU 7 HB2 GLU 7 16.341 -12.025 -6.896 57 HB3 GLU 7 HB3 GLU 7 16.081 -13.400 -7.974 58 HG2 GLU 7 HG2 GLU 7 14.046 -12.388 -8.844 59 HG3 GLU 7 HG3 GLU 7 14.209 -11.024 -7.728 60 H THR 8 H THR 8 14.133 -15.662 -5.529 61 HA THR 8 HA THR 8 16.476 -16.113 -3.810 62 HB THR 8 HB THR 8 15.265 -18.121 -3.039 63 HG1 THR 8 HG1 THR 8 13.271 -17.428 -4.963 64 HG21 THR 8 HG21 THR 8 13.407 -15.719 -3.191 65 HG22 THR 8 HG22 THR 8 14.642 -15.997 -1.960 66 HG23 THR 8 HG23 THR 8 13.241 -17.064 -2.072 67 HA PRO 9 HA PRO 9 18.668 -18.769 -6.776 68 HB2 PRO 9 HB2 PRO 9 19.158 -21.079 -5.199 69 HB3 PRO 9 HB3 PRO 9 20.179 -19.639 -5.272 70 HG2 PRO 9 HG2 PRO 9 18.065 -20.366 -3.265 71 HG3 PRO 9 HG3 PRO 9 19.648 -19.605 -2.996 72 HD2 PRO 9 HD2 PRO 9 17.404 -18.146 -2.945 73 HD3 PRO 9 HD3 PRO 9 18.876 -17.489 -3.694 74 H ARG 10 H ARG 10 15.843 -20.008 -5.127 75 HA ARG 10 HA ARG 10 15.428 -22.216 -7.036 76 HB2 ARG 10 HB2 ARG 10 13.611 -22.908 -5.472 77 HB3 ARG 10 HB3 ARG 10 15.188 -22.794 -4.696 78 HG2 ARG 10 HG2 ARG 10 14.515 -20.535 -3.809 79 HG3 ARG 10 HG3 ARG 10 12.900 -20.811 -4.472 80 HD2 ARG 10 HD2 ARG 10 13.036 -21.347 -2.054 81 HD3 ARG 10 HD3 ARG 10 12.607 -22.761 -3.026 82 HE ARG 10 HE ARG 10 15.384 -22.759 -2.737 83 HH11 ARG 10 HH11 ARG 10 12.600 -23.122 -0.643 84 HH12 ARG 10 HH12 ARG 10 13.430 -24.145 0.482 85 HH21 ARG 10 HH21 ARG 10 16.457 -24.116 -1.282 86 HH22 ARG 10 HH22 ARG 10 15.627 -24.694 0.126 87 H GLY 11 H GLY 11 14.901 -19.122 -7.446 88 HA2 GLY 11 HA2 GLY 11 13.529 -18.697 -9.506 89 HA3 GLY 11 HA3 GLY 11 12.178 -19.405 -8.635 90 H GLU 12 H GLU 12 11.375 -17.183 -9.438 91 HA GLU 12 HA GLU 12 12.020 -15.009 -7.548 92 HB2 GLU 12 HB2 GLU 12 11.802 -14.446 -9.985 93 HB3 GLU 12 HB3 GLU 12 10.130 -14.994 -9.954 94 HG2 GLU 12 HG2 GLU 12 9.586 -13.209 -8.310 95 HG3 GLU 12 HG3 GLU 12 11.264 -12.671 -8.361 96 H ILE 13 H ILE 13 10.510 -14.298 -6.030 97 HA ILE 13 HA ILE 13 8.102 -15.965 -5.553 98 HB ILE 13 HB ILE 13 9.999 -14.926 -3.380 99 HG12 ILE 13 HG12 ILE 13 11.147 -16.713 -4.680 100 HG13 ILE 13 HG13 ILE 13 10.799 -17.229 -3.036 101 HG21 ILE 13 HG21 ILE 13 7.688 -15.176 -2.615 102 HG22 ILE 13 HG22 ILE 13 8.716 -16.392 -1.858 103 HG23 ILE 13 HG23 ILE 13 7.647 -16.848 -3.188 104 HD11 ILE 13 HD11 ILE 13 9.276 -18.020 -5.511 105 HD12 ILE 13 HD12 ILE 13 8.899 -18.533 -3.861 106 HD13 ILE 13 HD13 ILE 13 10.424 -19.009 -4.608 107 H LEU 14 H LEU 14 6.319 -14.718 -5.433 108 HA LEU 14 HA LEU 14 6.550 -11.788 -5.165 109 HB2 LEU 14 HB2 LEU 14 4.248 -13.579 -6.053 110 HB3 LEU 14 HB3 LEU 14 4.157 -11.827 -5.962 111 HG LEU 14 HG LEU 14 6.071 -13.340 -7.788 112 HD11 LEU 14 HD11 LEU 14 3.426 -12.016 -8.492 113 HD12 LEU 14 HD12 LEU 14 3.759 -13.751 -8.478 114 HD13 LEU 14 HD13 LEU 14 4.578 -12.712 -9.639 115 HD21 LEU 14 HD21 LEU 14 6.445 -11.163 -8.863 116 HD22 LEU 14 HD22 LEU 14 6.880 -11.100 -7.157 117 HD23 LEU 14 HD23 LEU 14 5.361 -10.386 -7.704 118 H ASN 15 H ASN 15 6.088 -10.833 -3.319 119 HA ASN 15 HA ASN 15 5.173 -10.136 -1.403 120 HB2 ASN 15 HB2 ASN 15 2.864 -11.974 -2.122 121 HB3 ASN 15 HB3 ASN 15 2.825 -10.757 -0.847 122 HD21 ASN 15 HD21 ASN 15 2.782 -11.291 -4.299 123 HD22 ASN 15 HD22 ASN 15 2.367 -9.674 -4.745 124 H VAL 16 H VAL 16 6.886 -11.040 -0.314 125 HA VAL 16 HA VAL 16 6.220 -13.062 1.676 126 HB VAL 16 HB VAL 16 7.207 -14.451 -0.116 127 HG11 VAL 16 HG11 VAL 16 9.494 -14.094 -0.964 128 HG12 VAL 16 HG12 VAL 16 9.622 -12.610 -0.015 129 HG13 VAL 16 HG13 VAL 16 8.453 -12.714 -1.335 130 HG21 VAL 16 HG21 VAL 16 9.110 -15.464 1.105 131 HG22 VAL 16 HG22 VAL 16 7.787 -15.065 2.204 132 HG23 VAL 16 HG23 VAL 16 9.212 -14.031 2.131 133 H SER 17 H SER 17 7.210 -12.538 3.637 134 HA SER 17 HA SER 17 8.638 -10.082 3.936 135 HB2 SER 17 HB2 SER 17 8.280 -12.406 5.878 136 HB3 SER 17 HB3 SER 17 8.853 -10.789 6.299 137 HG SER 17 HG SER 17 6.428 -10.930 4.929 138 H GLU 18 H GLU 18 10.795 -9.793 4.433 139 HA GLU 18 HA GLU 18 12.709 -11.345 3.132 140 HB2 GLU 18 HB2 GLU 18 14.270 -9.909 4.902 141 HB3 GLU 18 HB3 GLU 18 13.695 -9.341 3.353 142 HG2 GLU 18 HG2 GLU 18 13.385 -7.639 4.988 143 HG3 GLU 18 HG3 GLU 18 11.820 -8.229 4.455 144 H GLN 19 H GLN 19 11.704 -11.424 6.507 145 HA GLN 19 HA GLN 19 13.705 -13.169 7.478 146 HB2 GLN 19 HB2 GLN 19 10.872 -12.670 8.448 147 HB3 GLN 19 HB3 GLN 19 12.059 -13.618 9.335 148 HG2 GLN 19 HG2 GLN 19 12.329 -10.675 8.635 149 HG3 GLN 19 HG3 GLN 19 11.848 -11.318 10.204 150 HE21 GLN 19 HE21 GLN 19 13.407 -12.370 11.487 151 HE22 GLN 19 HE22 GLN 19 15.103 -12.176 11.223 152 H GLU 20 H GLU 20 10.474 -13.834 6.074 153 HA GLU 20 HA GLU 20 10.611 -16.679 6.319 154 HB2 GLU 20 HB2 GLU 20 8.447 -15.559 6.032 155 HB3 GLU 20 HB3 GLU 20 8.944 -14.921 4.469 156 HG2 GLU 20 HG2 GLU 20 8.907 -17.095 3.463 157 HG3 GLU 20 HG3 GLU 20 8.744 -17.884 5.018 158 H ALA 21 H ALA 21 11.280 -14.451 3.637 159 HA ALA 21 HA ALA 21 12.265 -16.061 1.680 160 HB1 ALA 21 HB1 ALA 21 12.068 -13.614 1.444 161 HB2 ALA 21 HB2 ALA 21 13.672 -14.160 0.949 162 HB3 ALA 21 HB3 ALA 21 13.445 -13.385 2.520 163 H ARG 22 H ARG 22 13.955 -15.075 4.643 164 HA ARG 22 HA ARG 22 16.473 -16.333 4.077 165 HB2 ARG 22 HB2 ARG 22 15.218 -15.462 6.717 166 HB3 ARG 22 HB3 ARG 22 16.874 -16.045 6.564 167 HG2 ARG 22 HG2 ARG 22 17.489 -14.144 5.210 168 HG3 ARG 22 HG3 ARG 22 15.810 -13.618 5.107 169 HD2 ARG 22 HD2 ARG 22 17.055 -12.249 6.716 170 HD3 ARG 22 HD3 ARG 22 15.788 -13.172 7.529 171 HE ARG 22 HE ARG 22 18.264 -14.577 7.571 172 HH11 ARG 22 HH11 ARG 22 16.642 -11.892 9.160 173 HH12 ARG 22 HH12 ARG 22 17.553 -12.067 10.623 174 HH21 ARG 22 HH21 ARG 22 19.410 -14.804 9.488 175 HH22 ARG 22 HH22 ARG 22 19.125 -13.726 10.814 176 H ASP 23 H ASP 23 13.591 -17.365 5.982 177 HA ASP 23 HA ASP 23 14.939 -19.670 7.105 178 HB2 ASP 23 HB2 ASP 23 12.053 -18.700 7.299 179 HB3 ASP 23 HB3 ASP 23 12.606 -20.180 8.077 180 H VAL 24 H VAL 24 12.058 -19.322 5.005 181 HA VAL 24 HA VAL 24 11.892 -22.140 4.469 182 HB VAL 24 HB VAL 24 10.410 -19.810 3.154 183 HG11 VAL 24 HG11 VAL 24 10.293 -21.814 1.732 184 HG12 VAL 24 HG12 VAL 24 8.721 -21.502 2.464 185 HG13 VAL 24 HG13 VAL 24 9.744 -22.789 3.100 186 HG21 VAL 24 HG21 VAL 24 10.016 -19.868 5.580 187 HG22 VAL 24 HG22 VAL 24 9.544 -21.567 5.485 188 HG23 VAL 24 HG23 VAL 24 8.558 -20.330 4.702 189 H PHE 25 H PHE 25 12.789 -19.269 2.549 190 HA PHE 25 HA PHE 25 13.142 -20.894 0.128 191 HB2 PHE 25 HB2 PHE 25 13.188 -17.868 0.511 192 HB3 PHE 25 HB3 PHE 25 13.211 -18.705 -1.039 193 HD1 PHE 25 HD1 PHE 25 11.179 -19.917 -1.837 194 HD2 PHE 25 HD2 PHE 25 11.105 -17.603 1.756 195 HE1 PHE 25 HE1 PHE 25 8.719 -19.953 -1.851 196 HE2 PHE 25 HE2 PHE 25 8.651 -17.649 1.730 197 HZ PHE 25 HZ PHE 25 7.460 -18.826 -0.066 198 H GLY 26 H GLY 26 15.074 -19.091 2.435 199 HA2 GLY 26 HA2 GLY 26 17.328 -18.897 2.761 200 HA3 GLY 26 HA3 GLY 26 17.552 -20.212 1.619 201 H ALA 27 H ALA 27 16.381 -16.862 1.439 202 HA ALA 27 HA ALA 27 17.560 -16.335 -1.131 203 HB1 ALA 27 HB1 ALA 27 16.576 -14.094 -0.878 204 HB2 ALA 27 HB2 ALA 27 16.192 -14.434 0.813 205 HB3 ALA 27 HB3 ALA 27 15.392 -15.339 -0.470 206 H SER 28 H SER 28 19.067 -14.620 -1.520 207 HA SER 28 HA SER 28 21.315 -14.614 0.283 208 HB2 SER 28 HB2 SER 28 21.737 -14.617 -2.131 209 HB3 SER 28 HB3 SER 28 20.807 -13.138 -2.341 210 HG SER 28 HG SER 28 23.225 -13.395 -0.862 211 H GLU 29 H GLU 29 22.061 -12.906 1.435 212 HA GLU 29 HA GLU 29 20.207 -11.052 2.571 213 HB2 GLU 29 HB2 GLU 29 22.067 -10.206 3.897 214 HB3 GLU 29 HB3 GLU 29 22.154 -11.957 3.834 215 HG2 GLU 29 HG2 GLU 29 23.865 -10.091 2.157 216 HG3 GLU 29 HG3 GLU 29 24.363 -10.797 3.692 217 H GLN 30 H GLN 30 22.471 -10.884 -0.060 218 HA GLN 30 HA GLN 30 22.345 -8.040 -0.535 219 HB2 GLN 30 HB2 GLN 30 23.237 -10.325 -2.348 220 HB3 GLN 30 HB3 GLN 30 23.458 -8.614 -2.700 221 HG2 GLN 30 HG2 GLN 30 24.713 -10.117 -0.379 222 HG3 GLN 30 HG3 GLN 30 25.532 -9.647 -1.866 223 HE21 GLN 30 HE21 GLN 30 26.060 -7.449 -2.196 224 HE22 GLN 30 HE22 GLN 30 26.075 -6.305 -0.900 225 H ALA 31 H ALA 31 20.590 -10.909 -1.643 226 HA ALA 31 HA ALA 31 19.094 -9.593 -3.736 227 HB1 ALA 31 HB1 ALA 31 18.628 -12.288 -2.402 228 HB2 ALA 31 HB2 ALA 31 19.567 -12.006 -3.868 229 HB3 ALA 31 HB3 ALA 31 17.828 -11.711 -3.867 230 H ILE 32 H ILE 32 18.848 -9.709 -0.305 231 HA ILE 32 HA ILE 32 15.926 -9.564 -0.176 232 HB ILE 32 HB ILE 32 18.146 -9.743 1.902 233 HG12 ILE 32 HG12 ILE 32 15.664 -11.476 1.540 234 HG13 ILE 32 HG13 ILE 32 17.219 -11.839 0.797 235 HG21 ILE 32 HG21 ILE 32 16.690 -8.064 2.838 236 HG22 ILE 32 HG22 ILE 32 16.420 -9.572 3.708 237 HG23 ILE 32 HG23 ILE 32 15.254 -9.035 2.497 238 HD11 ILE 32 HD11 ILE 32 16.678 -11.686 3.762 239 HD12 ILE 32 HD12 ILE 32 18.230 -12.081 3.009 240 HD13 ILE 32 HD13 ILE 32 16.843 -13.154 2.800 241 H ALA 33 H ALA 33 18.770 -7.683 1.011 242 HA ALA 33 HA ALA 33 17.950 -5.163 1.176 243 HB1 ALA 33 HB1 ALA 33 20.298 -5.869 1.424 244 HB2 ALA 33 HB2 ALA 33 20.174 -4.427 0.414 245 HB3 ALA 33 HB3 ALA 33 20.447 -6.005 -0.330 246 H ASP 34 H ASP 34 18.763 -6.630 -2.004 247 HA ASP 34 HA ASP 34 18.102 -4.536 -3.705 248 HB2 ASP 34 HB2 ASP 34 19.228 -6.636 -4.426 249 HB3 ASP 34 HB3 ASP 34 17.716 -7.517 -4.208 250 H ALA 35 H ALA 35 15.973 -7.191 -2.633 251 HA ALA 35 HA ALA 35 13.626 -6.301 -3.988 252 HB1 ALA 35 HB1 ALA 35 12.464 -8.047 -2.708 253 HB2 ALA 35 HB2 ALA 35 13.872 -8.225 -1.656 254 HB3 ALA 35 HB3 ALA 35 13.991 -8.654 -3.361 255 H ARG 36 H ARG 36 14.934 -5.686 -0.829 256 HA ARG 36 HA ARG 36 12.642 -4.513 0.397 257 HB2 ARG 36 HB2 ARG 36 14.607 -5.408 1.687 258 HB3 ARG 36 HB3 ARG 36 15.571 -4.055 1.108 259 HG2 ARG 36 HG2 ARG 36 14.049 -2.479 2.290 260 HG3 ARG 36 HG3 ARG 36 13.104 -3.850 2.882 261 HD2 ARG 36 HD2 ARG 36 14.666 -3.037 4.600 262 HD3 ARG 36 HD3 ARG 36 15.065 -4.689 4.111 263 HE ARG 36 HE ARG 36 16.483 -2.365 2.954 264 HH11 ARG 36 HH11 ARG 36 16.661 -5.368 4.792 265 HH12 ARG 36 HH12 ARG 36 18.389 -5.445 4.699 266 HH21 ARG 36 HH21 ARG 36 18.721 -2.497 2.847 267 HH22 ARG 36 HH22 ARG 36 19.552 -3.817 3.606 268 H LYS 37 H LYS 37 15.544 -3.202 -1.140 269 HA LYS 37 HA LYS 37 15.002 -0.485 -1.222 270 HB2 LYS 37 HB2 LYS 37 17.171 -1.289 -1.892 271 HB3 LYS 37 HB3 LYS 37 16.477 -2.341 -3.115 272 HG2 LYS 37 HG2 LYS 37 15.744 -0.113 -4.299 273 HG3 LYS 37 HG3 LYS 37 16.901 0.656 -3.210 274 HD2 LYS 37 HD2 LYS 37 17.907 0.148 -5.416 275 HD3 LYS 37 HD3 LYS 37 18.721 -0.723 -4.114 276 HE2 LYS 37 HE2 LYS 37 17.483 -2.772 -4.695 277 HE3 LYS 37 HE3 LYS 37 16.612 -1.911 -5.966 278 HZ1 LYS 37 HZ1 LYS 37 19.543 -2.329 -5.875 279 HZ2 LYS 37 HZ2 LYS 37 18.677 -1.587 -7.121 280 HZ3 LYS 37 HZ3 LYS 37 18.456 -3.231 -6.796 281 H ALA 38 H ALA 38 13.746 -3.110 -3.212 282 HA ALA 38 HA ALA 38 12.898 -1.375 -5.383 283 HB1 ALA 38 HB1 ALA 38 12.196 -3.485 -6.453 284 HB2 ALA 38 HB2 ALA 38 12.545 -4.371 -4.964 285 HB3 ALA 38 HB3 ALA 38 13.857 -3.604 -5.862 286 H THR 39 H THR 39 11.478 -3.296 -2.737 287 HA THR 39 HA THR 39 8.739 -2.932 -3.415 288 HB THR 39 HB THR 39 10.016 -3.694 -0.749 289 HG1 THR 39 HG1 THR 39 10.137 -5.133 -2.688 290 HG21 THR 39 HG21 THR 39 7.090 -3.846 -1.571 291 HG22 THR 39 HG22 THR 39 7.764 -2.768 -0.343 292 HG23 THR 39 HG23 THR 39 7.773 -4.513 -0.091 293 H ILE 40 H ILE 40 10.961 -1.322 -1.107 294 HA ILE 40 HA ILE 40 9.105 0.539 -0.056 295 HB ILE 40 HB ILE 40 12.154 0.661 -0.148 296 HG12 ILE 40 HG12 ILE 40 11.216 -1.173 1.236 297 HG13 ILE 40 HG13 ILE 40 12.008 0.024 2.252 298 HG21 ILE 40 HG21 ILE 40 12.023 2.469 1.560 299 HG22 ILE 40 HG22 ILE 40 10.269 2.523 1.355 300 HG23 ILE 40 HG23 ILE 40 11.327 2.965 0.014 301 HD11 ILE 40 HD11 ILE 40 9.962 -0.756 3.269 302 HD12 ILE 40 HD12 ILE 40 9.030 -0.291 1.850 303 HD13 ILE 40 HD13 ILE 40 9.799 0.948 2.844 304 H LEU 41 H LEU 41 11.587 0.915 -2.612 305 HA LEU 41 HA LEU 41 11.061 3.544 -3.403 306 HB2 LEU 41 HB2 LEU 41 13.032 2.726 -4.281 307 HB3 LEU 41 HB3 LEU 41 12.366 1.163 -4.668 308 HG LEU 41 HG LEU 41 11.503 3.482 -6.403 309 HD11 LEU 41 HD11 LEU 41 13.497 3.306 -7.823 310 HD12 LEU 41 HD12 LEU 41 14.239 2.181 -6.682 311 HD13 LEU 41 HD13 LEU 41 13.931 3.852 -6.204 312 HD21 LEU 41 HD21 LEU 41 10.555 1.253 -6.817 313 HD22 LEU 41 HD22 LEU 41 12.174 0.568 -7.000 314 HD23 LEU 41 HD23 LEU 41 11.568 1.745 -8.176 315 H GLN 42 H GLN 42 9.258 0.636 -4.128 316 HA GLN 42 HA GLN 42 7.631 1.811 -6.238 317 HB2 GLN 42 HB2 GLN 42 8.195 -0.570 -6.355 318 HB3 GLN 42 HB3 GLN 42 7.539 -0.856 -4.748 319 HG2 GLN 42 HG2 GLN 42 5.291 -0.504 -5.529 320 HG3 GLN 42 HG3 GLN 42 5.863 0.046 -7.100 321 HE21 GLN 42 HE21 GLN 42 4.044 -2.180 -6.338 322 HE22 GLN 42 HE22 GLN 42 4.706 -3.585 -7.090 323 H THR 43 H THR 43 7.424 0.965 -2.829 324 HA THR 43 HA THR 43 4.704 1.370 -2.275 325 HB THR 43 HB THR 43 7.189 1.333 -0.525 326 HG1 THR 43 HG1 THR 43 6.196 -0.603 -1.597 327 HG21 THR 43 HG21 THR 43 5.567 2.728 0.708 328 HG22 THR 43 HG22 THR 43 5.777 1.158 1.487 329 HG23 THR 43 HG23 THR 43 4.341 1.477 0.516 330 H LEU 44 H LEU 44 7.456 3.616 -2.183 331 HA LEU 44 HA LEU 44 6.212 5.751 -0.788 332 HB2 LEU 44 HB2 LEU 44 8.396 6.105 -2.878 333 HB3 LEU 44 HB3 LEU 44 8.026 7.160 -1.522 334 HG LEU 44 HG LEU 44 9.392 4.462 -1.468 335 HD11 LEU 44 HD11 LEU 44 10.336 7.168 -0.531 336 HD12 LEU 44 HD12 LEU 44 10.816 6.344 -2.016 337 HD13 LEU 44 HD13 LEU 44 11.240 5.652 -0.454 338 HD21 LEU 44 HD21 LEU 44 9.463 4.553 0.973 339 HD22 LEU 44 HD22 LEU 44 7.799 4.470 0.393 340 HD23 LEU 44 HD23 LEU 44 8.459 6.009 0.963 341 H ARG 45 H ARG 45 6.199 4.767 -4.138 342 HA ARG 45 HA ARG 45 5.008 7.220 -5.166 343 HB2 ARG 45 HB2 ARG 45 6.755 5.910 -6.425 344 HB3 ARG 45 HB3 ARG 45 5.608 4.590 -6.587 345 HG2 ARG 45 HG2 ARG 45 5.723 5.885 -8.651 346 HG3 ARG 45 HG3 ARG 45 4.119 6.038 -7.925 347 HD2 ARG 45 HD2 ARG 45 4.706 8.246 -7.041 348 HD3 ARG 45 HD3 ARG 45 6.351 8.085 -7.665 349 HE ARG 45 HE ARG 45 4.629 7.778 -9.810 350 HH11 ARG 45 HH11 ARG 45 5.444 10.350 -7.584 351 HH12 ARG 45 HH12 ARG 45 5.098 11.607 -8.725 352 HH21 ARG 45 HH21 ARG 45 4.172 9.391 -11.293 353 HH22 ARG 45 HH22 ARG 45 4.387 11.053 -10.851 354 H ILE 46 H ILE 46 3.987 3.949 -4.279 355 HA ILE 46 HA ILE 46 1.408 4.105 -5.602 356 HB ILE 46 HB ILE 46 2.614 2.032 -3.730 357 HG12 ILE 46 HG12 ILE 46 2.050 2.056 -6.729 358 HG13 ILE 46 HG13 ILE 46 3.622 2.007 -5.940 359 HG21 ILE 46 HG21 ILE 46 0.668 0.564 -4.203 360 HG22 ILE 46 HG22 ILE 46 -0.120 1.889 -5.059 361 HG23 ILE 46 HG23 ILE 46 0.191 2.022 -3.327 362 HD11 ILE 46 HD11 ILE 46 1.564 -0.200 -5.969 363 HD12 ILE 46 HD12 ILE 46 3.103 -0.252 -5.108 364 HD13 ILE 46 HD13 ILE 46 3.082 -0.145 -6.866 365 H GLU 47 H GLU 47 2.397 3.879 -2.151 366 HA GLU 47 HA GLU 47 -0.120 3.851 -0.987 367 HB2 GLU 47 HB2 GLU 47 2.451 4.994 0.152 368 HB3 GLU 47 HB3 GLU 47 1.015 4.629 1.107 369 HG2 GLU 47 HG2 GLU 47 2.707 2.632 -0.421 370 HG3 GLU 47 HG3 GLU 47 2.738 2.896 1.321 371 H ARG 48 H ARG 48 1.926 6.702 -1.620 372 HA ARG 48 HA ARG 48 0.344 8.737 -0.536 373 HB2 ARG 48 HB2 ARG 48 1.487 10.263 -2.207 374 HB3 ARG 48 HB3 ARG 48 2.590 9.261 -1.269 375 HG2 ARG 48 HG2 ARG 48 2.985 7.781 -3.115 376 HG3 ARG 48 HG3 ARG 48 1.663 8.473 -4.050 377 HD2 ARG 48 HD2 ARG 48 4.168 9.998 -3.282 378 HD3 ARG 48 HD3 ARG 48 3.954 9.149 -4.814 379 HE ARG 48 HE ARG 48 2.866 11.683 -4.058 380 HH11 ARG 48 HH11 ARG 48 2.227 8.904 -6.141 381 HH12 ARG 48 HH12 ARG 48 1.322 9.829 -7.295 382 HH21 ARG 48 HH21 ARG 48 1.680 12.875 -5.573 383 HH22 ARG 48 HH22 ARG 48 1.014 12.090 -6.969 384 H ASP 49 H ASP 49 0.163 7.202 -3.741 385 HA ASP 49 HA ASP 49 -1.796 9.084 -4.751 386 HB2 ASP 49 HB2 ASP 49 0.031 8.055 -6.177 387 HB3 ASP 49 HB3 ASP 49 -0.791 6.507 -6.038 388 H GLU 50 H GLU 50 -1.782 5.936 -3.294 389 HA GLU 50 HA GLU 50 -4.406 5.083 -3.957 390 HB2 GLU 50 HB2 GLU 50 -2.545 4.357 -1.663 391 HB3 GLU 50 HB3 GLU 50 -4.114 3.586 -1.905 392 HG2 GLU 50 HG2 GLU 50 -1.855 3.577 -3.923 393 HG3 GLU 50 HG3 GLU 50 -2.207 2.268 -2.793 394 H ARG 51 H ARG 51 -3.087 6.971 -1.276 395 HA ARG 51 HA ARG 51 -5.682 7.321 -0.041 396 HB2 ARG 51 HB2 ARG 51 -4.462 8.780 1.564 397 HB3 ARG 51 HB3 ARG 51 -3.819 7.147 1.451 398 HG2 ARG 51 HG2 ARG 51 -1.989 8.001 0.008 399 HG3 ARG 51 HG3 ARG 51 -2.630 9.632 0.194 400 HD2 ARG 51 HD2 ARG 51 -0.768 9.288 1.719 401 HD3 ARG 51 HD3 ARG 51 -2.262 9.486 2.641 402 HE ARG 51 HE ARG 51 -1.297 6.770 2.049 403 HH11 ARG 51 HH11 ARG 51 -1.909 9.274 4.445 404 HH12 ARG 51 HH12 ARG 51 -1.531 8.238 5.781 405 HH21 ARG 51 HH21 ARG 51 -0.804 5.451 3.800 406 HH22 ARG 51 HH22 ARG 51 -0.897 6.068 5.420 407 H LEU 52 H LEU 52 -3.708 9.130 -2.340 408 HA LEU 52 HA LEU 52 -5.094 11.594 -2.368 409 HB2 LEU 52 HB2 LEU 52 -3.577 10.056 -4.494 410 HB3 LEU 52 HB3 LEU 52 -4.406 11.540 -4.927 411 HG LEU 52 HG LEU 52 -2.205 11.354 -2.824 412 HD11 LEU 52 HD11 LEU 52 -0.756 12.485 -4.467 413 HD12 LEU 52 HD12 LEU 52 -2.017 12.334 -5.694 414 HD13 LEU 52 HD13 LEU 52 -1.260 10.889 -5.018 415 HD21 LEU 52 HD21 LEU 52 -3.767 13.173 -2.387 416 HD22 LEU 52 HD22 LEU 52 -3.577 13.768 -4.041 417 HD23 LEU 52 HD23 LEU 52 -2.211 13.810 -2.922 418 H ARG 53 H ARG 53 -5.653 8.609 -4.261 419 HA ARG 53 HA ARG 53 -8.028 9.558 -5.558 420 HB2 ARG 53 HB2 ARG 53 -8.251 7.280 -6.435 421 HB3 ARG 53 HB3 ARG 53 -6.578 7.810 -6.565 422 HG2 ARG 53 HG2 ARG 53 -6.006 6.477 -4.560 423 HG3 ARG 53 HG3 ARG 53 -7.681 5.940 -4.447 424 HD2 ARG 53 HD2 ARG 53 -6.277 4.218 -5.474 425 HD3 ARG 53 HD3 ARG 53 -7.476 4.815 -6.626 426 HE ARG 53 HE ARG 53 -4.997 6.213 -6.885 427 HH11 ARG 53 HH11 ARG 53 -6.520 3.142 -7.659 428 HH12 ARG 53 HH12 ARG 53 -5.520 2.852 -9.043 429 HH21 ARG 53 HH21 ARG 53 -3.715 5.844 -8.732 430 HH22 ARG 53 HH22 ARG 53 -3.931 4.392 -9.657 431 H ALA 54 H ALA 54 -7.352 7.828 -2.568 432 HA ALA 54 HA ALA 54 -10.036 6.963 -2.012 433 HB1 ALA 54 HB1 ALA 54 -8.066 5.893 -0.984 434 HB2 ALA 54 HB2 ALA 54 -9.196 6.469 0.238 435 HB3 ALA 54 HB3 ALA 54 -7.712 7.372 -0.091 436 H CYS 55 H CYS 55 -8.329 9.967 -1.609 437 HA CYS 55 HA CYS 55 -10.191 11.163 0.289 438 HB2 CYS 55 HB2 CYS 55 -7.876 11.916 0.313 439 HB3 CYS 55 HB3 CYS 55 -7.924 12.316 -1.405 440 HG CYS 55 HG CYS 55 -8.194 14.401 0.882 441 H ASP 56 H ASP 56 -10.018 10.712 -3.124 442 HA ASP 56 HA ASP 56 -10.891 13.201 -4.117 443 HB2 ASP 56 HB2 ASP 56 -9.605 11.548 -5.451 444 HB3 ASP 56 HB3 ASP 56 -10.979 10.445 -5.430 445 H TRP 57 H TRP 57 -12.799 10.555 -2.839 446 HA TRP 57 HA TRP 57 -15.248 10.956 -4.166 447 HB2 TRP 57 HB2 TRP 57 -16.319 9.744 -2.343 448 HB3 TRP 57 HB3 TRP 57 -14.781 8.982 -2.720 449 HD1 TRP 57 HD1 TRP 57 -12.681 9.927 -0.950 450 HE1 TRP 57 HE1 TRP 57 -12.805 10.095 1.603 451 HE3 TRP 57 HE3 TRP 57 -17.764 10.052 -0.392 452 HZ2 TRP 57 HZ2 TRP 57 -14.776 10.281 3.593 453 HZ3 TRP 57 HZ3 TRP 57 -18.685 10.242 1.890 454 HH2 TRP 57 HH2 TRP 57 -17.222 10.362 3.842 455 H THR 58 H THR 58 -13.806 12.707 -1.488 456 HA THR 58 HA THR 58 -16.152 14.255 -0.803 457 HB THR 58 HB THR 58 -14.618 15.527 0.668 458 HG1 THR 58 HG1 THR 58 -12.438 13.914 0.132 459 HG21 THR 58 HG21 THR 58 -14.033 12.556 0.797 460 HG22 THR 58 HG22 THR 58 -15.489 13.314 1.437 461 HG23 THR 58 HG23 THR 58 -13.916 13.707 2.123 462 H GLN 59 H GLN 59 -13.313 14.580 -2.809 463 HA GLN 59 HA GLN 59 -13.397 17.385 -3.271 464 HB2 GLN 59 HB2 GLN 59 -12.063 15.224 -4.968 465 HB3 GLN 59 HB3 GLN 59 -11.706 16.948 -5.015 466 HG2 GLN 59 HG2 GLN 59 -11.163 15.040 -2.723 467 HG3 GLN 59 HG3 GLN 59 -9.972 15.798 -3.778 468 HE21 GLN 59 HE21 GLN 59 -12.012 16.225 -1.005 469 HE22 GLN 59 HE22 GLN 59 -11.415 17.767 -0.532 470 H VAL 60 H VAL 60 -14.832 14.616 -4.917 471 HA VAL 60 HA VAL 60 -16.031 16.260 -6.999 472 HB VAL 60 HB VAL 60 -15.345 13.941 -7.554 473 HG11 VAL 60 HG11 VAL 60 -15.775 12.804 -5.422 474 HG12 VAL 60 HG12 VAL 60 -16.600 11.968 -6.740 475 HG13 VAL 60 HG13 VAL 60 -17.514 13.004 -5.638 476 HG21 VAL 60 HG21 VAL 60 -17.127 14.990 -8.891 477 HG22 VAL 60 HG22 VAL 60 -18.351 14.359 -7.787 478 HG23 VAL 60 HG23 VAL 60 -17.396 13.245 -8.768 479 H GLN 61 H GLN 61 -18.190 16.779 -7.143 480 HA GLN 61 HA GLN 61 -19.482 17.477 -4.691 481 HB2 GLN 61 HB2 GLN 61 -19.389 18.957 -6.673 482 HB3 GLN 61 HB3 GLN 61 -20.350 17.813 -7.590 483 HG2 GLN 61 HG2 GLN 61 -21.647 19.788 -6.867 484 HG3 GLN 61 HG3 GLN 61 -22.304 18.287 -6.223 485 HE21 GLN 61 HE21 GLN 61 -23.396 19.453 -4.610 486 HE22 GLN 61 HE22 GLN 61 -22.576 20.119 -3.246 487 H ASP 62 H ASP 62 -19.530 14.605 -6.336 488 HA ASP 62 HA ASP 62 -22.123 13.645 -6.379 489 HB2 ASP 62 HB2 ASP 62 -20.221 12.433 -7.357 490 HB3 ASP 62 HB3 ASP 62 -19.530 12.155 -5.764 491 H VAL 63 H VAL 63 -19.918 13.902 -3.604 492 HA VAL 63 HA VAL 63 -21.834 12.594 -1.796 493 HB VAL 63 HB VAL 63 -19.343 12.074 -1.682 494 HG11 VAL 63 HG11 VAL 63 -19.135 14.867 -0.488 495 HG12 VAL 63 HG12 VAL 63 -18.434 14.337 -2.019 496 HG13 VAL 63 HG13 VAL 63 -17.849 13.658 -0.500 497 HG21 VAL 63 HG21 VAL 63 -20.826 11.505 0.188 498 HG22 VAL 63 HG22 VAL 63 -20.629 13.122 0.868 499 HG23 VAL 63 HG23 VAL 63 -19.252 12.023 0.802 500 H VAL 64 H VAL 64 -22.654 13.641 0.064 501 HA VAL 64 HA VAL 64 -22.967 16.565 -0.130 502 HB VAL 64 HB VAL 64 -24.556 14.590 1.578 503 HG11 VAL 64 HG11 VAL 64 -25.149 17.500 0.885 504 HG12 VAL 64 HG12 VAL 64 -24.628 16.891 2.456 505 HG13 VAL 64 HG13 VAL 64 -26.204 16.428 1.814 506 HG21 VAL 64 HG21 VAL 64 -24.879 14.070 -0.805 507 HG22 VAL 64 HG22 VAL 64 -25.295 15.754 -1.138 508 HG23 VAL 64 HG23 VAL 64 -26.354 14.769 -0.125 509 H LEU 65 H LEU 65 -21.059 17.297 0.815 510 HA LEU 65 HA LEU 65 -20.903 17.030 3.767 511 HB2 LEU 65 HB2 LEU 65 -18.555 17.025 1.815 512 HB3 LEU 65 HB3 LEU 65 -18.379 17.207 3.553 513 HG LEU 65 HG LEU 65 -19.545 14.714 2.236 514 HD11 LEU 65 HD11 LEU 65 -17.381 13.636 2.641 515 HD12 LEU 65 HD12 LEU 65 -16.702 15.176 3.182 516 HD13 LEU 65 HD13 LEU 65 -17.237 14.980 1.511 517 HD21 LEU 65 HD21 LEU 65 -19.072 13.655 4.431 518 HD22 LEU 65 HD22 LEU 65 -20.243 14.970 4.558 519 HD23 LEU 65 HD23 LEU 65 -18.571 15.229 5.070 520 H THR 66 H THR 66 -19.774 18.982 4.720 521 HA THR 66 HA THR 66 -20.620 21.446 3.457 522 HB THR 66 HB THR 66 -19.627 22.571 5.443 523 HG1 THR 66 HG1 THR 66 -18.481 21.403 6.944 524 HG21 THR 66 HG21 THR 66 -21.198 20.091 6.267 525 HG22 THR 66 HG22 THR 66 -21.911 21.613 5.717 526 HG23 THR 66 HG23 THR 66 -20.991 21.560 7.222 527 H ALA 67 H ALA 67 -19.037 23.284 3.212 528 HA ALA 67 HA ALA 67 -16.850 22.696 1.547 529 HB1 ALA 67 HB1 ALA 67 -17.934 24.918 1.564 530 HB2 ALA 67 HB2 ALA 67 -16.190 25.054 1.809 531 HB3 ALA 67 HB3 ALA 67 -17.293 25.220 3.182 532 H ASP 68 H ASP 68 -16.985 23.483 5.014 533 HA ASP 68 HA ASP 68 -14.392 23.441 5.860 534 HB2 ASP 68 HB2 ASP 68 -16.632 21.984 7.330 535 HB3 ASP 68 HB3 ASP 68 -15.180 22.678 8.038 536 H GLN 69 H GLN 69 -16.476 20.591 5.640 537 HA GLN 69 HA GLN 69 -14.551 18.624 6.368 538 HB2 GLN 69 HB2 GLN 69 -17.153 18.330 4.800 539 HB3 GLN 69 HB3 GLN 69 -16.206 16.966 5.399 540 HG2 GLN 69 HG2 GLN 69 -16.525 17.719 7.707 541 HG3 GLN 69 HG3 GLN 69 -17.418 19.129 7.149 542 HE21 GLN 69 HE21 GLN 69 -19.538 18.863 6.405 543 HE22 GLN 69 HE22 GLN 69 -20.446 17.422 6.705 544 H LYS 70 H LYS 70 -15.797 19.558 3.163 545 HA LYS 70 HA LYS 70 -14.199 17.789 1.611 546 HB2 LYS 70 HB2 LYS 70 -15.771 20.301 0.903 547 HB3 LYS 70 HB3 LYS 70 -14.895 19.361 -0.309 548 HG2 LYS 70 HG2 LYS 70 -16.247 17.377 0.206 549 HG3 LYS 70 HG3 LYS 70 -17.106 18.265 1.468 550 HD2 LYS 70 HD2 LYS 70 -18.286 19.595 -0.092 551 HD3 LYS 70 HD3 LYS 70 -17.139 19.255 -1.398 552 HE2 LYS 70 HE2 LYS 70 -17.977 16.859 -1.357 553 HE3 LYS 70 HE3 LYS 70 -19.222 17.379 -0.218 554 HZ1 LYS 70 HZ1 LYS 70 -19.971 18.975 -1.931 555 HZ2 LYS 70 HZ2 LYS 70 -20.123 17.362 -2.405 556 HZ3 LYS 70 HZ3 LYS 70 -18.856 18.305 -3.014 557 H ALA 71 H ALA 71 -13.402 20.776 3.123 558 HA ALA 71 HA ALA 71 -11.274 21.519 1.203 559 HB1 ALA 71 HB1 ALA 71 -12.670 23.378 2.024 560 HB2 ALA 71 HB2 ALA 71 -10.994 23.567 2.549 561 HB3 ALA 71 HB3 ALA 71 -12.219 22.996 3.686 562 H THR 72 H THR 72 -11.693 20.853 4.669 563 HA THR 72 HA THR 72 -9.112 20.327 5.462 564 HB THR 72 HB THR 72 -11.474 18.618 6.371 565 HG1 THR 72 HG1 THR 72 -11.534 21.106 6.475 566 HG21 THR 72 HG21 THR 72 -9.257 17.811 7.170 567 HG22 THR 72 HG22 THR 72 -10.241 18.436 8.498 568 HG23 THR 72 HG23 THR 72 -8.922 19.408 7.833 569 H TRP 73 H TRP 73 -11.248 18.081 3.688 570 HA TRP 73 HA TRP 73 -9.338 15.978 3.352 571 HB2 TRP 73 HB2 TRP 73 -11.928 16.674 1.952 572 HB3 TRP 73 HB3 TRP 73 -10.909 15.390 1.329 573 HD1 TRP 73 HD1 TRP 73 -13.440 16.098 4.082 574 HE1 TRP 73 HE1 TRP 73 -13.939 13.919 5.328 575 HE3 TRP 73 HE3 TRP 73 -9.736 13.153 2.118 576 HZ2 TRP 73 HZ2 TRP 73 -12.921 11.303 5.490 577 HZ3 TRP 73 HZ3 TRP 73 -9.576 10.810 2.881 578 HH2 TRP 73 HH2 TRP 73 -11.138 9.908 4.531 579 H ALA 74 H ALA 74 -10.129 18.888 1.471 580 HA ALA 74 HA ALA 74 -8.414 18.397 -0.747 581 HB1 ALA 74 HB1 ALA 74 -8.658 20.790 -1.254 582 HB2 ALA 74 HB2 ALA 74 -9.341 21.081 0.349 583 HB3 ALA 74 HB3 ALA 74 -10.217 20.086 -0.817 584 H LYS 75 H LYS 75 -7.834 19.629 2.474 585 HA LYS 75 HA LYS 75 -5.176 20.695 2.005 586 HB2 LYS 75 HB2 LYS 75 -6.667 19.972 4.577 587 HB3 LYS 75 HB3 LYS 75 -5.069 20.720 4.544 588 HG2 LYS 75 HG2 LYS 75 -5.979 22.739 3.538 589 HG3 LYS 75 HG3 LYS 75 -7.567 21.984 3.372 590 HD2 LYS 75 HD2 LYS 75 -7.811 21.871 5.815 591 HD3 LYS 75 HD3 LYS 75 -6.186 22.527 6.039 592 HE2 LYS 75 HE2 LYS 75 -6.897 24.647 4.996 593 HE3 LYS 75 HE3 LYS 75 -8.515 23.992 4.740 594 HZ1 LYS 75 HZ1 LYS 75 -8.766 23.794 7.131 595 HZ2 LYS 75 HZ2 LYS 75 -8.431 25.392 6.693 596 HZ3 LYS 75 HZ3 LYS 75 -7.218 24.433 7.374 597 H TYR 76 H TYR 76 -6.683 17.746 3.198 598 HA TYR 76 HA TYR 76 -4.481 16.267 4.093 599 HB2 TYR 76 HB2 TYR 76 -6.682 15.481 4.628 600 HB3 TYR 76 HB3 TYR 76 -7.190 15.487 2.946 601 HD1 TYR 76 HD2 TYR 76 -4.413 13.882 4.924 602 HD2 TYR 76 HD1 TYR 76 -7.537 13.334 2.067 603 HE1 TYR 76 HE2 TYR 76 -3.864 11.513 4.766 604 HE2 TYR 76 HE1 TYR 76 -6.962 10.949 1.900 605 HH TYR 76 HH TYR 76 -5.022 9.400 4.181 606 H ARG 77 H ARG 77 -6.065 16.275 0.877 607 HA ARG 77 HA ARG 77 -4.218 14.460 -0.301 608 HB2 ARG 77 HB2 ARG 77 -5.289 14.892 -2.417 609 HB3 ARG 77 HB3 ARG 77 -6.533 14.771 -1.178 610 HG2 ARG 77 HG2 ARG 77 -6.886 17.165 -1.216 611 HG3 ARG 77 HG3 ARG 77 -5.484 17.404 -2.263 612 HD2 ARG 77 HD2 ARG 77 -6.648 16.065 -4.032 613 HD3 ARG 77 HD3 ARG 77 -8.078 16.008 -2.994 614 HE ARG 77 HE ARG 77 -7.561 18.655 -3.140 615 HH11 ARG 77 HH11 ARG 77 -7.925 16.234 -5.657 616 HH12 ARG 77 HH12 ARG 77 -8.600 17.354 -6.799 617 HH21 ARG 77 HH21 ARG 77 -8.429 20.109 -4.631 618 HH22 ARG 77 HH22 ARG 77 -8.891 19.557 -6.210 619 H GLN 78 H GLN 78 -4.478 18.029 -0.308 620 HA GLN 78 HA GLN 78 -2.544 18.671 -2.157 621 HB2 GLN 78 HB2 GLN 78 -4.238 20.187 -0.997 622 HB3 GLN 78 HB3 GLN 78 -3.138 20.260 0.373 623 HG2 GLN 78 HG2 GLN 78 -2.930 22.241 -1.053 624 HG3 GLN 78 HG3 GLN 78 -1.431 21.317 -1.029 625 HE21 GLN 78 HE21 GLN 78 -4.201 20.271 -2.969 626 HE22 GLN 78 HE22 GLN 78 -3.493 20.650 -4.496 627 H ALA 79 H ALA 79 -2.162 17.984 1.286 628 HA ALA 79 HA ALA 79 0.581 18.708 1.493 629 HB1 ALA 79 HB1 ALA 79 -0.893 18.552 3.459 630 HB2 ALA 79 HB2 ALA 79 0.534 17.530 3.652 631 HB3 ALA 79 HB3 ALA 79 -1.022 16.807 3.231 632 H LEU 80 H LEU 80 -1.039 15.691 0.534 633 HA LEU 80 HA LEU 80 1.248 14.004 0.516 634 HB2 LEU 80 HB2 LEU 80 -1.410 13.830 -0.969 635 HB3 LEU 80 HB3 LEU 80 -0.266 12.504 -0.784 636 HG LEU 80 HG LEU 80 -1.549 13.873 1.609 637 HD11 LEU 80 HD11 LEU 80 -3.126 11.983 1.728 638 HD12 LEU 80 HD12 LEU 80 -2.573 11.434 0.143 639 HD13 LEU 80 HD13 LEU 80 -3.377 12.993 0.307 640 HD21 LEU 80 HD21 LEU 80 0.501 12.640 2.076 641 HD22 LEU 80 HD22 LEU 80 -0.154 11.198 1.291 642 HD23 LEU 80 HD23 LEU 80 -0.886 11.811 2.781 643 H ARG 81 H ARG 81 -0.566 15.571 -2.175 644 HA ARG 81 HA ARG 81 1.176 14.636 -4.243 645 HB2 ARG 81 HB2 ARG 81 -0.081 16.294 -5.708 646 HB3 ARG 81 HB3 ARG 81 -1.092 15.131 -4.856 647 HG2 ARG 81 HG2 ARG 81 -1.761 16.804 -3.231 648 HG3 ARG 81 HG3 ARG 81 -0.630 17.979 -3.896 649 HD2 ARG 81 HD2 ARG 81 -2.996 16.813 -5.411 650 HD3 ARG 81 HD3 ARG 81 -3.017 18.362 -4.558 651 HE ARG 81 HE ARG 81 -0.922 18.709 -6.166 652 HH11 ARG 81 HH11 ARG 81 -4.135 17.493 -6.910 653 HH12 ARG 81 HH12 ARG 81 -4.107 18.082 -8.540 654 HH21 ARG 81 HH21 ARG 81 -0.903 19.485 -8.293 655 HH22 ARG 81 HH22 ARG 81 -2.270 19.213 -9.326 656 H ASP 82 H ASP 82 1.277 17.432 -2.179 657 HA ASP 82 HA ASP 82 3.507 18.645 -3.713 658 HB2 ASP 82 HB2 ASP 82 1.369 19.900 -1.945 659 HB3 ASP 82 HB3 ASP 82 2.852 20.756 -2.354 660 H LEU 83 H LEU 83 3.516 16.463 -1.498 661 HA LEU 83 HA LEU 83 4.351 17.397 0.956 662 HB2 LEU 83 HB2 LEU 83 5.494 15.201 1.318 663 HB3 LEU 83 HB3 LEU 83 3.861 15.071 0.708 664 HG LEU 83 HG LEU 83 4.929 14.654 -1.619 665 HD11 LEU 83 HD11 LEU 83 7.155 13.635 -1.681 666 HD12 LEU 83 HD12 LEU 83 7.409 14.044 0.016 667 HD13 LEU 83 HD13 LEU 83 7.240 15.322 -1.186 668 HD21 LEU 83 HD21 LEU 83 3.773 12.920 -0.339 669 HD22 LEU 83 HD22 LEU 83 5.261 12.545 0.536 670 HD23 LEU 83 HD23 LEU 83 5.158 12.252 -1.203 671 HA PRO 84 HA PRO 84 8.272 19.353 0.280 672 HB2 PRO 84 HB2 PRO 84 9.301 19.419 2.809 673 HB3 PRO 84 HB3 PRO 84 7.926 20.416 2.313 674 HG2 PRO 84 HG2 PRO 84 7.936 17.834 3.858 675 HG3 PRO 84 HG3 PRO 84 6.959 19.292 4.124 676 HD2 PRO 84 HD2 PRO 84 6.007 17.052 2.820 677 HD3 PRO 84 HD3 PRO 84 5.392 18.690 2.524 678 H GLU 85 H GLU 85 10.484 18.951 0.117 679 HA GLU 85 HA GLU 85 11.271 16.334 -0.546 680 HB2 GLU 85 HB2 GLU 85 12.873 18.883 -0.145 681 HB3 GLU 85 HB3 GLU 85 13.579 17.398 -0.775 682 HG2 GLU 85 HG2 GLU 85 11.314 18.959 -2.060 683 HG3 GLU 85 HG3 GLU 85 13.008 19.018 -2.550 684 H THR 86 H THR 86 11.031 14.964 1.204 685 HA THR 86 HA THR 86 12.150 15.347 3.780 686 HB THR 86 HB THR 86 10.325 13.818 3.640 687 HG1 THR 86 HG1 THR 86 12.495 12.036 4.023 688 HG21 THR 86 HG21 THR 86 11.924 12.097 1.714 689 HG22 THR 86 HG22 THR 86 10.507 13.067 1.303 690 HG23 THR 86 HG23 THR 86 10.342 11.687 2.393 691 H VAL 87 H VAL 87 14.268 15.912 3.726 692 HA VAL 87 HA VAL 87 16.235 14.896 1.981 693 HB VAL 87 HB VAL 87 17.903 16.101 3.394 694 HG11 VAL 87 HG11 VAL 87 16.966 18.373 3.112 695 HG12 VAL 87 HG12 VAL 87 15.347 17.701 2.912 696 HG13 VAL 87 HG13 VAL 87 16.601 17.359 1.716 697 HG21 VAL 87 HG21 VAL 87 17.007 15.623 5.644 698 HG22 VAL 87 HG22 VAL 87 15.593 16.629 5.324 699 HG23 VAL 87 HG23 VAL 87 17.196 17.364 5.415 700 H THR 88 H THR 88 17.764 13.347 2.176 701 HA THR 88 HA THR 88 18.562 11.335 2.487 702 HB THR 88 HB THR 88 19.848 12.434 4.263 703 HG1 THR 88 HG1 THR 88 19.397 9.813 5.172 704 HG21 THR 88 HG21 THR 88 19.450 11.933 6.663 705 HG22 THR 88 HG22 THR 88 17.893 11.206 6.259 706 HG23 THR 88 HG23 THR 88 18.155 12.933 6.003 707 H ASP 89 H ASP 89 16.114 11.508 5.143 708 HA ASP 89 HA ASP 89 15.419 8.830 5.242 709 HB2 ASP 89 HB2 ASP 89 13.666 11.263 5.787 710 HB3 ASP 89 HB3 ASP 89 13.306 9.623 6.322 711 H LEU 90 H LEU 90 15.014 7.720 3.392 712 HA LEU 90 HA LEU 90 12.859 8.646 1.568 713 HB2 LEU 90 HB2 LEU 90 15.256 8.950 0.707 714 HB3 LEU 90 HB3 LEU 90 15.418 7.203 0.745 715 HG LEU 90 HG LEU 90 13.589 7.000 -0.940 716 HD11 LEU 90 HD11 LEU 90 13.633 10.027 -1.076 717 HD12 LEU 90 HD12 LEU 90 12.319 9.020 -0.457 718 HD13 LEU 90 HD13 LEU 90 12.756 8.940 -2.163 719 HD21 LEU 90 HD21 LEU 90 15.912 7.010 -1.690 720 HD22 LEU 90 HD22 LEU 90 15.885 8.769 -1.839 721 HD23 LEU 90 HD23 LEU 90 14.865 7.775 -2.883 722 H SER 91 H SER 91 12.655 6.906 3.848 723 HA SER 91 HA SER 91 11.353 4.628 2.536 724 HB2 SER 91 HB2 SER 91 13.273 4.312 4.899 725 HB3 SER 91 HB3 SER 91 12.219 3.035 4.276 726 HG SER 91 HG SER 91 13.510 3.908 2.194 727 H GLN 92 H GLN 92 12.035 6.225 5.617 728 HA GLN 92 HA GLN 92 9.416 5.738 6.710 729 HB2 GLN 92 HB2 GLN 92 10.212 7.162 8.642 730 HB3 GLN 92 HB3 GLN 92 11.175 5.722 8.346 731 HG2 GLN 92 HG2 GLN 92 12.019 8.452 7.329 732 HG3 GLN 92 HG3 GLN 92 12.396 7.921 8.961 733 HE21 GLN 92 HE21 GLN 92 13.860 6.213 9.246 734 HE22 GLN 92 HE22 GLN 92 14.993 5.771 8.017 735 H ILE 93 H ILE 93 8.262 6.641 5.003 736 HA ILE 93 HA ILE 93 8.299 9.489 4.460 737 HB ILE 93 HB ILE 93 6.058 8.656 3.093 738 HG12 ILE 93 HG12 ILE 93 6.491 6.424 2.033 739 HG13 ILE 93 HG13 ILE 93 7.831 6.152 3.130 740 HG21 ILE 93 HG21 ILE 93 8.921 8.345 2.104 741 HG22 ILE 93 HG22 ILE 93 7.967 9.831 2.111 742 HG23 ILE 93 HG23 ILE 93 7.481 8.482 1.086 743 HD11 ILE 93 HD11 ILE 93 5.884 4.861 3.735 744 HD12 ILE 93 HD12 ILE 93 4.921 6.330 3.882 745 HD13 ILE 93 HD13 ILE 93 6.258 6.036 4.997 746 H VAL 94 H VAL 94 7.473 10.774 6.007 747 HA VAL 94 HA VAL 94 5.144 9.926 7.587 748 HB VAL 94 HB VAL 94 7.006 12.332 7.922 749 HG11 VAL 94 HG11 VAL 94 4.832 11.298 9.797 750 HG12 VAL 94 HG12 VAL 94 4.750 12.785 8.849 751 HG13 VAL 94 HG13 VAL 94 5.938 12.627 10.144 752 HG21 VAL 94 HG21 VAL 94 8.216 10.232 8.351 753 HG22 VAL 94 HG22 VAL 94 6.950 9.707 9.467 754 HG23 VAL 94 HG23 VAL 94 7.952 11.103 9.866 755 H TRP 95 H TRP 95 3.375 10.296 6.340 756 HA TRP 95 HA TRP 95 2.840 13.010 5.323 757 HB2 TRP 95 HB2 TRP 95 1.623 11.896 3.378 758 HB3 TRP 95 HB3 TRP 95 3.369 11.854 3.308 759 HD1 TRP 95 HD1 TRP 95 1.200 9.201 5.192 760 HE1 TRP 95 HE1 TRP 95 1.621 6.924 4.090 761 HE3 TRP 95 HE3 TRP 95 4.135 10.713 1.284 762 HZ2 TRP 95 HZ2 TRP 95 2.995 5.898 1.884 763 HZ3 TRP 95 HZ3 TRP 95 4.951 9.005 -0.290 764 HH2 TRP 95 HH2 TRP 95 4.396 6.636 -0.002 765 HA PRO 96 HA PRO 96 -0.776 12.882 7.764 766 HB2 PRO 96 HB2 PRO 96 -2.787 13.912 6.123 767 HB3 PRO 96 HB3 PRO 96 -1.560 14.887 6.939 768 HG2 PRO 96 HG2 PRO 96 -1.588 13.867 4.103 769 HG3 PRO 96 HG3 PRO 96 -1.158 15.483 4.703 770 HD2 PRO 96 HD2 PRO 96 0.745 13.713 4.044 771 HD3 PRO 96 HD3 PRO 96 0.959 14.775 5.457 772 H GLN 97 H GLN 97 -2.118 11.380 8.398 773 HA GLN 97 HA GLN 97 -3.422 9.442 6.615 774 HB2 GLN 97 HB2 GLN 97 -2.525 8.712 8.855 775 HB3 GLN 97 HB3 GLN 97 -3.667 9.795 9.646 776 HG2 GLN 97 HG2 GLN 97 -5.549 8.474 8.701 777 HG3 GLN 97 HG3 GLN 97 -4.391 7.380 7.945 778 HE21 GLN 97 HE21 GLN 97 -5.194 5.592 9.073 779 HE22 GLN 97 HE22 GLN 97 -4.932 5.364 10.765 780 H LEU 98 H LEU 98 -5.843 9.281 6.673 781 HA LEU 98 HA LEU 98 -6.978 11.632 5.794 782 HB2 LEU 98 HB2 LEU 98 -9.244 10.367 6.072 783 HB3 LEU 98 HB3 LEU 98 -8.028 9.769 4.962 784 HG LEU 98 HG LEU 98 -7.352 8.081 6.677 785 HD11 LEU 98 HD11 LEU 98 -8.115 9.074 8.741 786 HD12 LEU 98 HD12 LEU 98 -8.903 7.514 8.515 787 HD13 LEU 98 HD13 LEU 98 -9.797 9.008 8.199 788 HD21 LEU 98 HD21 LEU 98 -9.250 6.576 6.281 789 HD22 LEU 98 HD22 LEU 98 -8.818 7.478 4.832 790 HD23 LEU 98 HD23 LEU 98 -10.238 7.951 5.770 791 HA PRO 99 HA PRO 99 -7.977 14.159 9.218 792 HB2 PRO 99 HB2 PRO 99 -10.071 15.662 8.250 793 HB3 PRO 99 HB3 PRO 99 -8.403 15.841 7.702 794 HG2 PRO 99 HG2 PRO 99 -10.653 14.289 6.417 795 HG3 PRO 99 HG3 PRO 99 -9.496 15.413 5.663 796 HD2 PRO 99 HD2 PRO 99 -9.149 12.726 5.535 797 HD3 PRO 99 HD3 PRO 99 -7.763 13.832 5.672 798 H VAL 100 H VAL 100 -10.739 12.368 7.903 799 HA VAL 100 HA VAL 100 -12.326 12.739 10.338 800 HB VAL 100 HB VAL 100 -13.041 11.290 7.748 801 HG11 VAL 100 HG11 VAL 100 -14.361 10.420 9.647 802 HG12 VAL 100 HG12 VAL 100 -15.391 11.365 8.569 803 HG13 VAL 100 HG13 VAL 100 -14.839 12.060 10.095 804 HG21 VAL 100 HG21 VAL 100 -14.422 13.296 7.233 805 HG22 VAL 100 HG22 VAL 100 -12.712 13.702 7.366 806 HG23 VAL 100 HG23 VAL 100 -13.809 14.091 8.692 Start of MODEL 13 1 H MET 1 H MET 1 5.088 -4.884 6.351 2 HA MET 1 HA MET 1 5.034 -4.396 4.030 3 HB2 MET 1 HB2 MET 1 6.173 -2.344 3.780 4 HB3 MET 1 HB3 MET 1 7.558 -2.882 4.718 5 HG2 MET 1 HG2 MET 1 6.983 -4.077 2.008 6 HG3 MET 1 HG3 MET 1 7.852 -2.545 2.174 7 HE1 MET 1 HE1 MET 1 10.647 -5.249 1.385 8 HE2 MET 1 HE2 MET 1 9.989 -3.689 0.880 9 HE3 MET 1 HE3 MET 1 9.004 -5.151 0.749 10 H LEU 2 H LEU 2 5.528 -6.049 2.779 11 HA LEU 2 HA LEU 2 7.727 -7.922 3.486 12 HB2 LEU 2 HB2 LEU 2 6.287 -9.688 2.303 13 HB3 LEU 2 HB3 LEU 2 5.725 -9.126 3.861 14 HG LEU 2 HG LEU 2 4.138 -7.561 2.543 15 HD11 LEU 2 HD11 LEU 2 5.099 -7.730 0.324 16 HD12 LEU 2 HD12 LEU 2 3.440 -8.316 0.310 17 HD13 LEU 2 HD13 LEU 2 4.781 -9.462 0.286 18 HD21 LEU 2 HD21 LEU 2 3.368 -9.517 3.825 19 HD22 LEU 2 HD22 LEU 2 3.637 -10.548 2.418 20 HD23 LEU 2 HD23 LEU 2 2.410 -9.280 2.364 21 H LEU 3 H LEU 3 8.948 -8.803 1.689 22 HA LEU 3 HA LEU 3 9.374 -7.133 -0.532 23 HB2 LEU 3 HB2 LEU 3 10.225 -9.991 0.115 24 HB3 LEU 3 HB3 LEU 3 10.704 -9.207 -1.380 25 HG LEU 3 HG LEU 3 11.996 -7.537 -0.134 26 HD11 LEU 3 HD11 LEU 3 10.646 -7.347 1.904 27 HD12 LEU 3 HD12 LEU 3 12.337 -7.660 2.281 28 HD13 LEU 3 HD13 LEU 3 11.155 -8.964 2.407 29 HD21 LEU 3 HD21 LEU 3 13.134 -9.617 -0.776 30 HD22 LEU 3 HD22 LEU 3 12.673 -10.363 0.756 31 HD23 LEU 3 HD23 LEU 3 13.780 -8.989 0.739 32 H HIS 4 H HIS 4 7.534 -6.808 -1.740 33 HA HIS 4 HA HIS 4 5.599 -8.255 -2.799 34 HB2 HIS 4 HB2 HIS 4 6.077 -5.889 -3.358 35 HB3 HIS 4 HB3 HIS 4 7.427 -6.380 -4.370 36 HD1 HIS 4 HD1 HIS 4 3.810 -5.758 -4.450 37 HD2 HIS 4 HD2 HIS 4 6.582 -7.729 -6.842 38 HE1 HIS 4 HE1 HIS 4 2.687 -6.050 -6.674 39 HE2 HIS 4 HE2 HIS 4 4.282 -7.478 -7.997 40 H SER 5 H SER 5 8.956 -8.600 -3.747 41 HA SER 5 HA SER 5 8.594 -11.163 -4.959 42 HB2 SER 5 HB2 SER 5 9.491 -10.411 -7.225 43 HB3 SER 5 HB3 SER 5 7.854 -9.863 -6.870 44 HG SER 5 HG SER 5 10.130 -8.404 -7.272 45 H VAL 6 H VAL 6 10.581 -12.234 -5.220 46 HA VAL 6 HA VAL 6 13.120 -10.887 -4.956 47 HB VAL 6 HB VAL 6 12.442 -11.124 -2.559 48 HG11 VAL 6 HG11 VAL 6 12.468 -14.131 -3.009 49 HG12 VAL 6 HG12 VAL 6 11.039 -13.143 -2.692 50 HG13 VAL 6 HG13 VAL 6 12.283 -13.318 -1.450 51 HG21 VAL 6 HG21 VAL 6 14.810 -12.890 -3.291 52 HG22 VAL 6 HG22 VAL 6 14.521 -12.164 -1.708 53 HG23 VAL 6 HG23 VAL 6 14.842 -11.135 -3.103 54 H GLU 7 H GLU 7 14.731 -12.048 -5.921 55 HA GLU 7 HA GLU 7 14.089 -14.552 -7.246 56 HB2 GLU 7 HB2 GLU 7 16.602 -12.817 -7.311 57 HB3 GLU 7 HB3 GLU 7 16.445 -14.333 -8.184 58 HG2 GLU 7 HG2 GLU 7 16.103 -12.502 -9.705 59 HG3 GLU 7 HG3 GLU 7 14.591 -13.383 -9.508 60 H THR 8 H THR 8 14.466 -16.436 -6.300 61 HA THR 8 HA THR 8 16.630 -16.775 -4.296 62 HB THR 8 HB THR 8 15.306 -18.606 -3.298 63 HG1 THR 8 HG1 THR 8 13.254 -17.930 -5.156 64 HG21 THR 8 HG21 THR 8 13.436 -17.326 -2.334 65 HG22 THR 8 HG22 THR 8 13.592 -16.121 -3.613 66 HG23 THR 8 HG23 THR 8 14.888 -16.327 -2.435 67 HA PRO 9 HA PRO 9 18.517 -19.823 -7.058 68 HB2 PRO 9 HB2 PRO 9 19.025 -21.959 -5.297 69 HB3 PRO 9 HB3 PRO 9 20.061 -20.539 -5.499 70 HG2 PRO 9 HG2 PRO 9 17.932 -21.063 -3.432 71 HG3 PRO 9 HG3 PRO 9 19.555 -20.376 -3.210 72 HD2 PRO 9 HD2 PRO 9 17.422 -18.781 -3.252 73 HD3 PRO 9 HD3 PRO 9 18.911 -18.273 -4.087 74 H ARG 10 H ARG 10 15.689 -20.695 -5.213 75 HA ARG 10 HA ARG 10 15.095 -23.065 -6.866 76 HB2 ARG 10 HB2 ARG 10 13.203 -23.412 -5.217 77 HB3 ARG 10 HB3 ARG 10 14.817 -23.466 -4.515 78 HG2 ARG 10 HG2 ARG 10 14.508 -21.099 -3.745 79 HG3 ARG 10 HG3 ARG 10 12.850 -21.156 -4.350 80 HD2 ARG 10 HD2 ARG 10 13.924 -23.082 -2.263 81 HD3 ARG 10 HD3 ARG 10 13.157 -21.547 -1.860 82 HE ARG 10 HE ARG 10 11.443 -23.007 -3.544 83 HH11 ARG 10 HH11 ARG 10 12.681 -23.211 -0.249 84 HH12 ARG 10 HH12 ARG 10 11.238 -23.943 0.374 85 HH21 ARG 10 HH21 ARG 10 9.552 -23.932 -2.705 86 HH22 ARG 10 HH22 ARG 10 9.460 -24.353 -1.024 87 H GLY 11 H GLY 11 14.696 -19.879 -7.363 88 HA2 GLY 11 HA2 GLY 11 13.511 -19.506 -9.553 89 HA3 GLY 11 HA3 GLY 11 12.089 -20.197 -8.784 90 H GLU 12 H GLU 12 11.069 -18.143 -9.439 91 HA GLU 12 HA GLU 12 11.759 -15.741 -7.902 92 HB2 GLU 12 HB2 GLU 12 11.042 -15.452 -10.260 93 HB3 GLU 12 HB3 GLU 12 9.507 -16.236 -9.903 94 HG2 GLU 12 HG2 GLU 12 8.970 -14.380 -8.308 95 HG3 GLU 12 HG3 GLU 12 10.470 -13.584 -8.778 96 H ILE 13 H ILE 13 10.582 -14.997 -6.158 97 HA ILE 13 HA ILE 13 8.310 -16.606 -5.147 98 HB ILE 13 HB ILE 13 10.601 -15.463 -3.462 99 HG12 ILE 13 HG12 ILE 13 11.345 -17.479 -4.688 100 HG13 ILE 13 HG13 ILE 13 11.231 -17.808 -2.965 101 HG21 ILE 13 HG21 ILE 13 9.523 -16.602 -1.543 102 HG22 ILE 13 HG22 ILE 13 8.183 -17.086 -2.585 103 HG23 ILE 13 HG23 ILE 13 8.468 -15.374 -2.255 104 HD11 ILE 13 HD11 ILE 13 9.261 -18.656 -5.082 105 HD12 ILE 13 HD12 ILE 13 9.093 -18.960 -3.350 106 HD13 ILE 13 HD13 ILE 13 10.431 -19.676 -4.248 107 H LEU 14 H LEU 14 6.598 -15.374 -4.706 108 HA LEU 14 HA LEU 14 6.823 -12.426 -4.683 109 HB2 LEU 14 HB2 LEU 14 4.371 -14.165 -5.191 110 HB3 LEU 14 HB3 LEU 14 4.478 -12.418 -5.380 111 HG LEU 14 HG LEU 14 5.926 -14.485 -7.092 112 HD11 LEU 14 HD11 LEU 14 4.443 -13.752 -8.895 113 HD12 LEU 14 HD12 LEU 14 3.593 -12.674 -7.783 114 HD13 LEU 14 HD13 LEU 14 3.531 -14.425 -7.542 115 HD21 LEU 14 HD21 LEU 14 6.610 -12.561 -8.509 116 HD22 LEU 14 HD22 LEU 14 7.303 -12.483 -6.892 117 HD23 LEU 14 HD23 LEU 14 5.935 -11.451 -7.312 118 H ASN 15 H ASN 15 5.501 -11.250 -3.230 119 HA ASN 15 HA ASN 15 5.027 -10.592 -1.125 120 HB2 ASN 15 HB2 ASN 15 2.791 -11.308 -0.373 121 HB3 ASN 15 HB3 ASN 15 2.830 -11.008 -2.106 122 HD21 ASN 15 HD21 ASN 15 2.795 -12.854 -3.545 123 HD22 ASN 15 HD22 ASN 15 2.102 -14.351 -3.032 124 H VAL 16 H VAL 16 6.874 -11.119 0.052 125 HA VAL 16 HA VAL 16 6.561 -13.229 2.038 126 HB VAL 16 HB VAL 16 7.533 -14.462 0.149 127 HG11 VAL 16 HG11 VAL 16 9.872 -12.526 0.228 128 HG12 VAL 16 HG12 VAL 16 8.660 -12.636 -1.047 129 HG13 VAL 16 HG13 VAL 16 9.763 -13.982 -0.765 130 HG21 VAL 16 HG21 VAL 16 9.509 -15.438 1.260 131 HG22 VAL 16 HG22 VAL 16 8.198 -15.160 2.407 132 HG23 VAL 16 HG23 VAL 16 9.574 -14.058 2.363 133 H SER 17 H SER 17 7.484 -12.656 3.935 134 HA SER 17 HA SER 17 8.847 -10.164 4.283 135 HB2 SER 17 HB2 SER 17 7.450 -11.082 6.084 136 HB3 SER 17 HB3 SER 17 8.465 -12.515 6.192 137 HG SER 17 HG SER 17 9.328 -9.856 6.695 138 H GLU 18 H GLU 18 11.006 -9.951 5.209 139 HA GLU 18 HA GLU 18 13.063 -11.055 3.675 140 HB2 GLU 18 HB2 GLU 18 13.448 -9.880 6.460 141 HB3 GLU 18 HB3 GLU 18 14.643 -9.980 5.174 142 HG2 GLU 18 HG2 GLU 18 14.065 -7.766 5.001 143 HG3 GLU 18 HG3 GLU 18 12.923 -8.461 3.873 144 H GLN 19 H GLN 19 11.956 -11.877 6.944 145 HA GLN 19 HA GLN 19 13.994 -13.686 7.669 146 HB2 GLN 19 HB2 GLN 19 11.114 -13.473 8.641 147 HB3 GLN 19 HB3 GLN 19 12.348 -14.465 9.419 148 HG2 GLN 19 HG2 GLN 19 13.692 -12.391 9.833 149 HG3 GLN 19 HG3 GLN 19 12.379 -11.444 9.133 150 HE21 GLN 19 HE21 GLN 19 13.346 -13.434 11.846 151 HE22 GLN 19 HE22 GLN 19 12.097 -12.923 12.926 152 H GLU 20 H GLU 20 10.786 -14.284 6.207 153 HA GLU 20 HA GLU 20 11.021 -17.138 6.184 154 HB2 GLU 20 HB2 GLU 20 8.804 -16.172 6.183 155 HB3 GLU 20 HB3 GLU 20 9.138 -15.241 4.726 156 HG2 GLU 20 HG2 GLU 20 9.164 -17.248 3.371 157 HG3 GLU 20 HG3 GLU 20 9.058 -18.271 4.794 158 H ALA 21 H ALA 21 11.281 -14.677 3.595 159 HA ALA 21 HA ALA 21 12.068 -16.154 1.457 160 HB1 ALA 21 HB1 ALA 21 13.272 -14.164 0.633 161 HB2 ALA 21 HB2 ALA 21 13.209 -13.463 2.256 162 HB3 ALA 21 HB3 ALA 21 11.718 -13.739 1.354 163 H ARG 22 H ARG 22 14.268 -14.968 4.030 164 HA ARG 22 HA ARG 22 16.655 -16.173 3.046 165 HB2 ARG 22 HB2 ARG 22 15.888 -15.241 5.842 166 HB3 ARG 22 HB3 ARG 22 17.501 -15.824 5.433 167 HG2 ARG 22 HG2 ARG 22 17.802 -13.993 3.859 168 HG3 ARG 22 HG3 ARG 22 16.148 -13.447 4.136 169 HD2 ARG 22 HD2 ARG 22 17.640 -12.019 5.371 170 HD3 ARG 22 HD3 ARG 22 16.740 -13.005 6.525 171 HE ARG 22 HE ARG 22 19.165 -14.301 5.963 172 HH11 ARG 22 HH11 ARG 22 18.073 -11.383 7.617 173 HH12 ARG 22 HH12 ARG 22 19.457 -11.320 8.660 174 HH21 ARG 22 HH21 ARG 22 20.960 -14.191 7.323 175 HH22 ARG 22 HH22 ARG 22 21.101 -12.907 8.480 176 H ASP 23 H ASP 23 14.167 -17.283 5.352 177 HA ASP 23 HA ASP 23 15.790 -19.483 6.333 178 HB2 ASP 23 HB2 ASP 23 14.391 -18.325 7.939 179 HB3 ASP 23 HB3 ASP 23 12.950 -18.575 6.962 180 H VAL 24 H VAL 24 12.519 -19.373 4.895 181 HA VAL 24 HA VAL 24 12.416 -22.157 4.286 182 HB VAL 24 HB VAL 24 10.618 -19.856 3.363 183 HG11 VAL 24 HG11 VAL 24 10.345 -21.790 1.869 184 HG12 VAL 24 HG12 VAL 24 8.908 -21.591 2.874 185 HG13 VAL 24 HG13 VAL 24 10.083 -22.852 3.254 186 HG21 VAL 24 HG21 VAL 24 10.672 -20.080 5.825 187 HG22 VAL 24 HG22 VAL 24 10.243 -21.790 5.689 188 HG23 VAL 24 HG23 VAL 24 9.093 -20.549 5.180 189 H PHE 25 H PHE 25 12.664 -19.232 2.240 190 HA PHE 25 HA PHE 25 12.783 -20.875 -0.177 191 HB2 PHE 25 HB2 PHE 25 12.605 -17.856 0.171 192 HB3 PHE 25 HB3 PHE 25 12.512 -18.708 -1.371 193 HD1 PHE 25 HD1 PHE 25 10.683 -20.667 -1.446 194 HD2 PHE 25 HD2 PHE 25 10.544 -17.313 1.209 195 HE1 PHE 25 HE1 PHE 25 8.254 -20.966 -1.189 196 HE2 PHE 25 HE2 PHE 25 8.113 -17.620 1.458 197 HZ PHE 25 HZ PHE 25 6.968 -19.443 0.260 198 H GLY 26 H GLY 26 15.030 -19.339 1.893 199 HA2 GLY 26 HA2 GLY 26 17.316 -19.357 1.878 200 HA3 GLY 26 HA3 GLY 26 17.237 -20.421 0.486 201 H ALA 27 H ALA 27 16.166 -17.075 0.912 202 HA ALA 27 HA ALA 27 17.405 -16.218 -1.550 203 HB1 ALA 27 HB1 ALA 27 15.845 -14.623 0.509 204 HB2 ALA 27 HB2 ALA 27 15.163 -15.392 -0.920 205 HB3 ALA 27 HB3 ALA 27 16.313 -14.066 -1.098 206 H SER 28 H SER 28 19.031 -14.700 -1.697 207 HA SER 28 HA SER 28 21.086 -14.826 0.313 208 HB2 SER 28 HB2 SER 28 21.043 -13.258 -2.313 209 HB3 SER 28 HB3 SER 28 22.469 -13.706 -1.373 210 HG SER 28 HG SER 28 20.956 -15.875 -1.992 211 H GLU 29 H GLU 29 22.025 -12.995 1.344 212 HA GLU 29 HA GLU 29 20.102 -11.139 2.365 213 HB2 GLU 29 HB2 GLU 29 23.120 -11.286 2.745 214 HB3 GLU 29 HB3 GLU 29 22.079 -10.137 3.589 215 HG2 GLU 29 HG2 GLU 29 20.784 -12.058 4.531 216 HG3 GLU 29 HG3 GLU 29 21.930 -13.168 3.776 217 H GLN 30 H GLN 30 22.443 -10.996 -0.215 218 HA GLN 30 HA GLN 30 22.313 -8.198 -0.781 219 HB2 GLN 30 HB2 GLN 30 23.223 -8.809 -3.006 220 HB3 GLN 30 HB3 GLN 30 24.110 -9.579 -1.696 221 HG2 GLN 30 HG2 GLN 30 22.971 -11.703 -2.119 222 HG3 GLN 30 HG3 GLN 30 22.005 -10.966 -3.394 223 HE21 GLN 30 HE21 GLN 30 22.995 -10.498 -5.385 224 HE22 GLN 30 HE22 GLN 30 24.522 -11.175 -5.827 225 H ALA 31 H ALA 31 20.328 -10.984 -1.690 226 HA ALA 31 HA ALA 31 18.698 -9.567 -3.622 227 HB1 ALA 31 HB1 ALA 31 17.434 -11.682 -3.755 228 HB2 ALA 31 HB2 ALA 31 18.373 -12.332 -2.405 229 HB3 ALA 31 HB3 ALA 31 19.168 -11.954 -3.934 230 H ILE 32 H ILE 32 18.770 -9.814 -0.217 231 HA ILE 32 HA ILE 32 15.875 -9.781 0.236 232 HB ILE 32 HB ILE 32 18.283 -10.038 2.101 233 HG12 ILE 32 HG12 ILE 32 17.537 -12.118 0.986 234 HG13 ILE 32 HG13 ILE 32 17.273 -12.195 2.721 235 HG21 ILE 32 HG21 ILE 32 16.744 -8.547 3.258 236 HG22 ILE 32 HG22 ILE 32 16.698 -10.131 4.029 237 HG23 ILE 32 HG23 ILE 32 15.388 -9.637 2.952 238 HD11 ILE 32 HD11 ILE 32 15.189 -11.661 0.620 239 HD12 ILE 32 HD12 ILE 32 14.902 -11.689 2.364 240 HD13 ILE 32 HD13 ILE 32 15.425 -13.149 1.529 241 H ALA 33 H ALA 33 18.809 -7.904 0.164 242 HA ALA 33 HA ALA 33 17.798 -5.683 1.762 243 HB1 ALA 33 HB1 ALA 33 20.022 -4.686 1.343 244 HB2 ALA 33 HB2 ALA 33 20.424 -6.034 0.269 245 HB3 ALA 33 HB3 ALA 33 20.163 -6.325 1.990 246 H ASP 34 H ASP 34 18.901 -6.419 -1.525 247 HA ASP 34 HA ASP 34 18.261 -4.088 -2.873 248 HB2 ASP 34 HB2 ASP 34 19.580 -6.022 -3.803 249 HB3 ASP 34 HB3 ASP 34 18.087 -6.937 -3.954 250 H ALA 35 H ALA 35 16.201 -7.019 -2.485 251 HA ALA 35 HA ALA 35 13.998 -5.968 -3.972 252 HB1 ALA 35 HB1 ALA 35 12.733 -7.918 -3.145 253 HB2 ALA 35 HB2 ALA 35 14.048 -8.284 -2.019 254 HB3 ALA 35 HB3 ALA 35 14.326 -8.378 -3.757 255 H ARG 36 H ARG 36 14.682 -6.135 -0.470 256 HA ARG 36 HA ARG 36 12.195 -5.110 0.415 257 HB2 ARG 36 HB2 ARG 36 13.734 -6.141 2.035 258 HB3 ARG 36 HB3 ARG 36 14.896 -4.836 1.810 259 HG2 ARG 36 HG2 ARG 36 13.428 -3.225 2.850 260 HG3 ARG 36 HG3 ARG 36 12.072 -4.352 2.827 261 HD2 ARG 36 HD2 ARG 36 12.965 -4.152 5.085 262 HD3 ARG 36 HD3 ARG 36 13.231 -5.782 4.466 263 HE ARG 36 HE ARG 36 15.496 -4.120 4.006 264 HH11 ARG 36 HH11 ARG 36 13.912 -5.994 6.522 265 HH12 ARG 36 HH12 ARG 36 15.348 -6.140 7.479 266 HH21 ARG 36 HH21 ARG 36 17.366 -4.345 5.258 267 HH22 ARG 36 HH22 ARG 36 17.310 -5.213 6.761 268 H LYS 37 H LYS 37 15.286 -3.482 -0.187 269 HA LYS 37 HA LYS 37 14.515 -0.824 0.198 270 HB2 LYS 37 HB2 LYS 37 16.858 -1.461 -0.024 271 HB3 LYS 37 HB3 LYS 37 16.592 -2.035 -1.664 272 HG2 LYS 37 HG2 LYS 37 16.018 0.393 -2.280 273 HG3 LYS 37 HG3 LYS 37 16.603 0.836 -0.681 274 HD2 LYS 37 HD2 LYS 37 18.381 1.155 -2.316 275 HD3 LYS 37 HD3 LYS 37 18.815 -0.171 -1.231 276 HE2 LYS 37 HE2 LYS 37 18.051 -1.806 -2.955 277 HE3 LYS 37 HE3 LYS 37 17.666 -0.469 -4.039 278 HZ1 LYS 37 HZ1 LYS 37 20.017 0.167 -3.919 279 HZ2 LYS 37 HZ2 LYS 37 19.760 -1.354 -4.603 280 HZ3 LYS 37 HZ3 LYS 37 20.328 -1.228 -3.019 281 H ALA 38 H ALA 38 13.999 -2.973 -2.551 282 HA ALA 38 HA ALA 38 13.636 -0.911 -4.515 283 HB1 ALA 38 HB1 ALA 38 12.973 -2.775 -6.007 284 HB2 ALA 38 HB2 ALA 38 12.961 -3.882 -4.627 285 HB3 ALA 38 HB3 ALA 38 14.474 -3.140 -5.152 286 H THR 39 H THR 39 11.581 -3.129 -2.669 287 HA THR 39 HA THR 39 9.072 -2.304 -3.710 288 HB THR 39 HB THR 39 9.624 -3.665 -1.031 289 HG1 THR 39 HG1 THR 39 10.296 -4.646 -3.241 290 HG21 THR 39 HG21 THR 39 7.090 -3.634 -2.719 291 HG22 THR 39 HG22 THR 39 7.313 -2.774 -1.192 292 HG23 THR 39 HG23 THR 39 7.324 -4.539 -1.218 293 H ILE 40 H ILE 40 10.904 -1.422 -0.759 294 HA ILE 40 HA ILE 40 9.069 0.379 0.392 295 HB ILE 40 HB ILE 40 12.104 0.177 0.672 296 HG12 ILE 40 HG12 ILE 40 10.719 -1.707 1.622 297 HG13 ILE 40 HG13 ILE 40 11.647 -0.851 2.849 298 HG21 ILE 40 HG21 ILE 40 10.255 2.008 2.253 299 HG22 ILE 40 HG22 ILE 40 11.537 2.512 1.152 300 HG23 ILE 40 HG23 ILE 40 11.943 1.683 2.654 301 HD11 ILE 40 HD11 ILE 40 9.401 -1.392 3.613 302 HD12 ILE 40 HD12 ILE 40 8.704 -0.461 2.287 303 HD13 ILE 40 HD13 ILE 40 9.643 0.353 3.545 304 H LEU 41 H LEU 41 11.918 1.049 -1.651 305 HA LEU 41 HA LEU 41 11.718 3.828 -1.808 306 HB2 LEU 41 HB2 LEU 41 13.789 3.135 -2.505 307 HB3 LEU 41 HB3 LEU 41 13.188 1.703 -3.291 308 HG LEU 41 HG LEU 41 12.668 4.321 -4.703 309 HD11 LEU 41 HD11 LEU 41 14.883 4.363 -5.731 310 HD12 LEU 41 HD12 LEU 41 15.410 3.020 -4.712 311 HD13 LEU 41 HD13 LEU 41 15.012 4.578 -3.984 312 HD21 LEU 41 HD21 LEU 41 13.108 2.929 -6.707 313 HD22 LEU 41 HD22 LEU 41 11.849 2.237 -5.691 314 HD23 LEU 41 HD23 LEU 41 13.474 1.549 -5.663 315 H GLN 42 H GLN 42 10.083 1.333 -3.650 316 HA GLN 42 HA GLN 42 8.964 3.078 -5.649 317 HB2 GLN 42 HB2 GLN 42 9.415 0.504 -5.757 318 HB3 GLN 42 HB3 GLN 42 7.915 0.337 -4.851 319 HG2 GLN 42 HG2 GLN 42 6.699 1.464 -6.682 320 HG3 GLN 42 HG3 GLN 42 8.209 1.643 -7.577 321 HE21 GLN 42 HE21 GLN 42 7.565 0.417 -9.333 322 HE22 GLN 42 HE22 GLN 42 7.291 -1.288 -9.249 323 H THR 43 H THR 43 7.910 1.557 -2.641 324 HA THR 43 HA THR 43 5.209 2.277 -2.492 325 HB THR 43 HB THR 43 7.232 1.651 -0.292 326 HG1 THR 43 HG1 THR 43 6.386 0.092 -2.064 327 HG21 THR 43 HG21 THR 43 4.208 1.692 -0.030 328 HG22 THR 43 HG22 THR 43 5.317 2.816 0.751 329 HG23 THR 43 HG23 THR 43 5.343 1.109 1.188 330 H LEU 44 H LEU 44 8.134 4.036 -1.518 331 HA LEU 44 HA LEU 44 6.973 6.008 0.131 332 HB2 LEU 44 HB2 LEU 44 9.492 6.322 -1.548 333 HB3 LEU 44 HB3 LEU 44 9.039 7.299 -0.158 334 HG LEU 44 HG LEU 44 10.003 4.423 -0.194 335 HD11 LEU 44 HD11 LEU 44 11.736 6.118 -0.223 336 HD12 LEU 44 HD12 LEU 44 11.750 5.225 1.294 337 HD13 LEU 44 HD13 LEU 44 11.076 6.856 1.241 338 HD21 LEU 44 HD21 LEU 44 9.612 4.239 2.215 339 HD22 LEU 44 HD22 LEU 44 8.092 4.470 1.354 340 HD23 LEU 44 HD23 LEU 44 8.822 5.818 2.229 341 H ARG 45 H ARG 45 7.119 5.723 -3.321 342 HA ARG 45 HA ARG 45 6.181 8.474 -3.747 343 HB2 ARG 45 HB2 ARG 45 8.037 7.445 -5.148 344 HB3 ARG 45 HB3 ARG 45 6.832 6.357 -5.828 345 HG2 ARG 45 HG2 ARG 45 5.585 8.309 -6.724 346 HG3 ARG 45 HG3 ARG 45 6.800 9.393 -6.038 347 HD2 ARG 45 HD2 ARG 45 7.205 9.048 -8.429 348 HD3 ARG 45 HD3 ARG 45 8.532 8.363 -7.476 349 HE ARG 45 HE ARG 45 6.363 6.565 -8.293 350 HH11 ARG 45 HH11 ARG 45 9.659 7.625 -8.875 351 HH12 ARG 45 HH12 ARG 45 10.062 6.215 -9.797 352 HH21 ARG 45 HH21 ARG 45 6.902 4.745 -9.467 353 HH22 ARG 45 HH22 ARG 45 8.502 4.562 -10.115 354 H ILE 46 H ILE 46 5.171 5.076 -4.235 355 HA ILE 46 HA ILE 46 2.817 5.471 -5.717 356 HB ILE 46 HB ILE 46 3.481 3.203 -3.783 357 HG12 ILE 46 HG12 ILE 46 3.696 3.301 -6.825 358 HG13 ILE 46 HG13 ILE 46 5.052 3.399 -5.707 359 HG21 ILE 46 HG21 ILE 46 1.738 1.860 -4.936 360 HG22 ILE 46 HG22 ILE 46 1.271 3.278 -5.877 361 HG23 ILE 46 HG23 ILE 46 1.046 3.268 -4.128 362 HD11 ILE 46 HD11 ILE 46 4.856 1.185 -6.671 363 HD12 ILE 46 HD12 ILE 46 3.215 1.026 -6.048 364 HD13 ILE 46 HD13 ILE 46 4.581 1.129 -4.931 365 H GLU 47 H GLU 47 3.220 5.040 -2.212 366 HA GLU 47 HA GLU 47 0.595 4.936 -1.358 367 HB2 GLU 47 HB2 GLU 47 3.046 6.041 0.035 368 HB3 GLU 47 HB3 GLU 47 1.505 5.828 0.858 369 HG2 GLU 47 HG2 GLU 47 3.093 3.605 -0.446 370 HG3 GLU 47 HG3 GLU 47 3.154 4.020 1.266 371 H ARG 48 H ARG 48 2.565 7.818 -1.987 372 HA ARG 48 HA ARG 48 0.910 9.850 -1.006 373 HB2 ARG 48 HB2 ARG 48 3.189 10.276 -1.866 374 HB3 ARG 48 HB3 ARG 48 2.672 9.833 -3.488 375 HG2 ARG 48 HG2 ARG 48 1.007 11.831 -3.298 376 HG3 ARG 48 HG3 ARG 48 1.975 12.329 -1.906 377 HD2 ARG 48 HD2 ARG 48 2.692 13.482 -3.963 378 HD3 ARG 48 HD3 ARG 48 3.980 12.447 -3.333 379 HE ARG 48 HE ARG 48 2.762 10.814 -5.100 380 HH11 ARG 48 HH11 ARG 48 3.851 14.127 -5.524 381 HH12 ARG 48 HH12 ARG 48 4.300 13.881 -7.180 382 HH21 ARG 48 HH21 ARG 48 3.288 10.528 -7.262 383 HH22 ARG 48 HH22 ARG 48 3.978 11.841 -8.165 384 H ASP 49 H ASP 49 1.067 8.486 -4.312 385 HA ASP 49 HA ASP 49 -1.044 10.047 -5.375 386 HB2 ASP 49 HB2 ASP 49 0.092 7.399 -6.393 387 HB3 ASP 49 HB3 ASP 49 -0.933 8.490 -7.325 388 H GLU 50 H GLU 50 -0.939 6.895 -3.844 389 HA GLU 50 HA GLU 50 -3.532 5.995 -4.520 390 HB2 GLU 50 HB2 GLU 50 -1.754 5.199 -2.184 391 HB3 GLU 50 HB3 GLU 50 -3.221 4.347 -2.669 392 HG2 GLU 50 HG2 GLU 50 -0.638 4.609 -4.224 393 HG3 GLU 50 HG3 GLU 50 -1.319 3.147 -3.520 394 H ARG 51 H ARG 51 -2.299 7.820 -1.723 395 HA ARG 51 HA ARG 51 -4.847 7.777 -0.371 396 HB2 ARG 51 HB2 ARG 51 -3.785 9.210 1.330 397 HB3 ARG 51 HB3 ARG 51 -2.846 7.765 0.970 398 HG2 ARG 51 HG2 ARG 51 -1.382 9.218 -0.507 399 HG3 ARG 51 HG3 ARG 51 -2.233 10.617 0.149 400 HD2 ARG 51 HD2 ARG 51 -0.595 8.585 1.712 401 HD3 ARG 51 HD3 ARG 51 -0.138 10.256 1.355 402 HE ARG 51 HE ARG 51 -2.327 10.763 2.669 403 HH11 ARG 51 HH11 ARG 51 0.013 8.272 3.499 404 HH12 ARG 51 HH12 ARG 51 -0.425 8.273 5.177 405 HH21 ARG 51 HH21 ARG 51 -2.895 10.721 4.834 406 HH22 ARG 51 HH22 ARG 51 -2.059 9.676 5.939 407 H LEU 52 H LEU 52 -3.318 9.992 -2.674 408 HA LEU 52 HA LEU 52 -5.259 12.076 -2.481 409 HB2 LEU 52 HB2 LEU 52 -3.440 11.169 -4.729 410 HB3 LEU 52 HB3 LEU 52 -4.735 12.285 -5.096 411 HG LEU 52 HG LEU 52 -3.706 13.781 -3.209 412 HD11 LEU 52 HD11 LEU 52 -2.161 12.181 -2.273 413 HD12 LEU 52 HD12 LEU 52 -1.299 13.575 -2.913 414 HD13 LEU 52 HD13 LEU 52 -1.308 12.054 -3.810 415 HD21 LEU 52 HD21 LEU 52 -2.215 14.887 -4.805 416 HD22 LEU 52 HD22 LEU 52 -3.719 14.403 -5.580 417 HD23 LEU 52 HD23 LEU 52 -2.248 13.466 -5.852 418 H ARG 53 H ARG 53 -5.099 9.197 -4.603 419 HA ARG 53 HA ARG 53 -7.568 9.791 -5.934 420 HB2 ARG 53 HB2 ARG 53 -7.175 7.801 -7.241 421 HB3 ARG 53 HB3 ARG 53 -5.631 8.618 -7.009 422 HG2 ARG 53 HG2 ARG 53 -5.246 6.969 -5.062 423 HG3 ARG 53 HG3 ARG 53 -6.611 6.058 -5.714 424 HD2 ARG 53 HD2 ARG 53 -4.053 6.736 -7.211 425 HD3 ARG 53 HD3 ARG 53 -4.411 5.185 -6.450 426 HE ARG 53 HE ARG 53 -6.323 6.061 -8.455 427 HH11 ARG 53 HH11 ARG 53 -3.464 4.114 -7.804 428 HH12 ARG 53 HH12 ARG 53 -3.593 3.223 -9.288 429 HH21 ARG 53 HH21 ARG 53 -6.487 4.890 -10.378 430 HH22 ARG 53 HH22 ARG 53 -5.312 3.670 -10.757 431 H ALA 54 H ALA 54 -6.778 7.994 -3.075 432 HA ALA 54 HA ALA 54 -9.107 6.337 -2.913 433 HB1 ALA 54 HB1 ALA 54 -7.320 7.367 -0.673 434 HB2 ALA 54 HB2 ALA 54 -7.080 5.874 -1.584 435 HB3 ALA 54 HB3 ALA 54 -8.494 6.046 -0.542 436 H CYS 55 H CYS 55 -8.414 9.668 -2.151 437 HA CYS 55 HA CYS 55 -10.979 10.089 -0.762 438 HB2 CYS 55 HB2 CYS 55 -8.594 11.949 -1.141 439 HB3 CYS 55 HB3 CYS 55 -10.011 12.279 -0.143 440 HG CYS 55 HG CYS 55 -7.564 9.977 0.394 441 H ASP 56 H ASP 56 -10.673 9.607 -3.751 442 HA ASP 56 HA ASP 56 -11.236 12.006 -5.174 443 HB2 ASP 56 HB2 ASP 56 -11.802 10.599 -7.040 444 HB3 ASP 56 HB3 ASP 56 -10.492 9.789 -6.190 445 H TRP 57 H TRP 57 -13.217 9.822 -3.324 446 HA TRP 57 HA TRP 57 -15.784 10.460 -4.287 447 HB2 TRP 57 HB2 TRP 57 -16.639 9.357 -2.276 448 HB3 TRP 57 HB3 TRP 57 -15.273 8.441 -2.905 449 HD1 TRP 57 HD1 TRP 57 -12.861 8.821 -1.497 450 HE1 TRP 57 HE1 TRP 57 -12.486 9.219 1.005 451 HE3 TRP 57 HE3 TRP 57 -17.568 10.298 -0.157 452 HZ2 TRP 57 HZ2 TRP 57 -13.949 10.012 3.265 453 HZ3 TRP 57 HZ3 TRP 57 -17.990 10.861 2.199 454 HH2 TRP 57 HH2 TRP 57 -16.222 10.719 3.879 455 H THR 58 H THR 58 -13.690 12.108 -1.960 456 HA THR 58 HA THR 58 -15.759 13.929 -1.032 457 HB THR 58 HB THR 58 -13.909 15.120 0.144 458 HG1 THR 58 HG1 THR 58 -12.090 13.107 -0.480 459 HG21 THR 58 HG21 THR 58 -13.865 12.128 0.536 460 HG22 THR 58 HG22 THR 58 -15.035 13.239 1.251 461 HG23 THR 58 HG23 THR 58 -13.334 13.332 1.705 462 H GLN 59 H GLN 59 -13.272 13.838 -3.505 463 HA GLN 59 HA GLN 59 -13.258 16.677 -4.051 464 HB2 GLN 59 HB2 GLN 59 -12.087 14.385 -5.697 465 HB3 GLN 59 HB3 GLN 59 -11.756 16.102 -5.941 466 HG2 GLN 59 HG2 GLN 59 -10.909 14.348 -3.614 467 HG3 GLN 59 HG3 GLN 59 -9.876 15.160 -4.790 468 HE21 GLN 59 HE21 GLN 59 -11.640 15.478 -1.829 469 HE22 GLN 59 HE22 GLN 59 -11.132 17.080 -1.438 470 H VAL 60 H VAL 60 -15.168 13.989 -5.131 471 HA VAL 60 HA VAL 60 -16.220 15.383 -7.474 472 HB VAL 60 HB VAL 60 -15.913 12.898 -7.518 473 HG11 VAL 60 HG11 VAL 60 -18.147 12.809 -5.461 474 HG12 VAL 60 HG12 VAL 60 -16.470 12.326 -5.207 475 HG13 VAL 60 HG13 VAL 60 -17.492 11.406 -6.315 476 HG21 VAL 60 HG21 VAL 60 -18.816 13.740 -7.870 477 HG22 VAL 60 HG22 VAL 60 -18.069 12.304 -8.581 478 HG23 VAL 60 HG23 VAL 60 -17.536 13.915 -9.073 479 H GLN 61 H GLN 61 -18.415 15.953 -7.691 480 HA GLN 61 HA GLN 61 -19.641 17.309 -5.511 481 HB2 GLN 61 HB2 GLN 61 -21.389 17.869 -7.196 482 HB3 GLN 61 HB3 GLN 61 -19.758 18.168 -7.795 483 HG2 GLN 61 HG2 GLN 61 -19.844 16.045 -9.078 484 HG3 GLN 61 HG3 GLN 61 -21.471 15.748 -8.473 485 HE21 GLN 61 HE21 GLN 61 -19.520 17.679 -10.628 486 HE22 GLN 61 HE22 GLN 61 -20.829 18.309 -11.567 487 H ASP 62 H ASP 62 -19.681 14.048 -6.093 488 HA ASP 62 HA ASP 62 -22.422 13.348 -5.950 489 HB2 ASP 62 HB2 ASP 62 -20.751 11.833 -6.913 490 HB3 ASP 62 HB3 ASP 62 -19.916 11.720 -5.364 491 H VAL 63 H VAL 63 -19.871 13.509 -3.457 492 HA VAL 63 HA VAL 63 -21.513 12.424 -1.368 493 HB VAL 63 HB VAL 63 -19.013 12.183 -1.425 494 HG11 VAL 63 HG11 VAL 63 -18.954 15.107 -0.611 495 HG12 VAL 63 HG12 VAL 63 -18.371 14.444 -2.136 496 HG13 VAL 63 HG13 VAL 63 -17.562 14.014 -0.629 497 HG21 VAL 63 HG21 VAL 63 -20.251 11.743 0.650 498 HG22 VAL 63 HG22 VAL 63 -20.113 13.444 1.108 499 HG23 VAL 63 HG23 VAL 63 -18.666 12.440 1.007 500 H VAL 64 H VAL 64 -22.315 13.479 0.478 501 HA VAL 64 HA VAL 64 -22.975 16.346 0.179 502 HB VAL 64 HB VAL 64 -24.391 14.253 1.914 503 HG11 VAL 64 HG11 VAL 64 -24.657 16.551 2.781 504 HG12 VAL 64 HG12 VAL 64 -26.187 15.961 2.131 505 HG13 VAL 64 HG13 VAL 64 -25.215 17.104 1.199 506 HG21 VAL 64 HG21 VAL 64 -24.713 13.710 -0.473 507 HG22 VAL 64 HG22 VAL 64 -25.257 15.360 -0.791 508 HG23 VAL 64 HG23 VAL 64 -26.222 14.297 0.236 509 H LEU 65 H LEU 65 -20.940 16.990 1.022 510 HA LEU 65 HA LEU 65 -20.611 16.691 3.965 511 HB2 LEU 65 HB2 LEU 65 -18.519 17.394 1.853 512 HB3 LEU 65 HB3 LEU 65 -18.227 17.318 3.587 513 HG LEU 65 HG LEU 65 -18.979 14.951 1.824 514 HD11 LEU 65 HD11 LEU 65 -16.297 15.642 3.058 515 HD12 LEU 65 HD12 LEU 65 -16.722 15.712 1.345 516 HD13 LEU 65 HD13 LEU 65 -16.691 14.161 2.177 517 HD21 LEU 65 HD21 LEU 65 -18.265 15.019 4.776 518 HD22 LEU 65 HD22 LEU 65 -18.480 13.558 3.805 519 HD23 LEU 65 HD23 LEU 65 -19.842 14.638 4.079 520 H THR 66 H THR 66 -20.116 18.653 5.143 521 HA THR 66 HA THR 66 -21.007 21.167 4.020 522 HB THR 66 HB THR 66 -20.260 22.153 6.187 523 HG1 THR 66 HG1 THR 66 -19.036 21.042 7.565 524 HG21 THR 66 HG21 THR 66 -21.762 20.944 7.710 525 HG22 THR 66 HG22 THR 66 -21.783 19.550 6.627 526 HG23 THR 66 HG23 THR 66 -22.509 21.077 6.115 527 H ALA 67 H ALA 67 -19.491 23.107 3.997 528 HA ALA 67 HA ALA 67 -17.280 22.682 2.332 529 HB1 ALA 67 HB1 ALA 67 -18.463 24.827 2.424 530 HB2 ALA 67 HB2 ALA 67 -16.736 25.064 2.703 531 HB3 ALA 67 HB3 ALA 67 -17.863 25.105 4.059 532 H ASP 68 H ASP 68 -17.351 23.387 5.830 533 HA ASP 68 HA ASP 68 -14.733 23.295 6.615 534 HB2 ASP 68 HB2 ASP 68 -17.099 21.995 8.032 535 HB3 ASP 68 HB3 ASP 68 -15.544 22.310 8.784 536 H GLN 69 H GLN 69 -16.789 20.480 6.027 537 HA GLN 69 HA GLN 69 -14.826 18.486 6.733 538 HB2 GLN 69 HB2 GLN 69 -17.455 18.280 5.190 539 HB3 GLN 69 HB3 GLN 69 -16.451 16.880 5.569 540 HG2 GLN 69 HG2 GLN 69 -16.724 17.318 7.971 541 HG3 GLN 69 HG3 GLN 69 -17.695 18.741 7.613 542 HE21 GLN 69 HE21 GLN 69 -19.822 18.478 6.940 543 HE22 GLN 69 HE22 GLN 69 -20.656 16.968 7.034 544 H LYS 70 H LYS 70 -16.144 19.597 3.624 545 HA LYS 70 HA LYS 70 -14.810 17.685 2.023 546 HB2 LYS 70 HB2 LYS 70 -17.082 19.006 1.724 547 HB3 LYS 70 HB3 LYS 70 -16.078 20.211 0.929 548 HG2 LYS 70 HG2 LYS 70 -15.452 18.641 -0.802 549 HG3 LYS 70 HG3 LYS 70 -16.186 17.299 0.087 550 HD2 LYS 70 HD2 LYS 70 -18.414 18.498 -0.126 551 HD3 LYS 70 HD3 LYS 70 -17.621 19.643 -1.207 552 HE2 LYS 70 HE2 LYS 70 -17.749 16.655 -1.707 553 HE3 LYS 70 HE3 LYS 70 -18.923 17.799 -2.347 554 HZ1 LYS 70 HZ1 LYS 70 -17.226 17.287 -3.967 555 HZ2 LYS 70 HZ2 LYS 70 -16.006 17.795 -2.913 556 HZ3 LYS 70 HZ3 LYS 70 -17.120 18.914 -3.521 557 H ALA 71 H ALA 71 -13.900 20.782 3.199 558 HA ALA 71 HA ALA 71 -12.101 21.485 0.977 559 HB1 ALA 71 HB1 ALA 71 -11.617 23.536 2.288 560 HB2 ALA 71 HB2 ALA 71 -12.636 22.939 3.601 561 HB3 ALA 71 HB3 ALA 71 -13.352 23.326 2.038 562 H THR 72 H THR 72 -11.900 20.965 4.461 563 HA THR 72 HA THR 72 -9.221 20.550 4.896 564 HB THR 72 HB THR 72 -11.271 18.678 6.175 565 HG1 THR 72 HG1 THR 72 -11.881 20.320 7.407 566 HG21 THR 72 HG21 THR 72 -8.642 19.816 7.218 567 HG22 THR 72 HG22 THR 72 -8.897 18.144 6.705 568 HG23 THR 72 HG23 THR 72 -9.742 18.774 8.121 569 H TRP 73 H TRP 73 -11.417 18.195 3.385 570 HA TRP 73 HA TRP 73 -9.516 16.097 2.979 571 HB2 TRP 73 HB2 TRP 73 -12.199 16.738 1.719 572 HB3 TRP 73 HB3 TRP 73 -11.230 15.383 1.155 573 HD1 TRP 73 HD1 TRP 73 -13.741 16.255 3.802 574 HE1 TRP 73 HE1 TRP 73 -14.079 14.241 5.353 575 HE3 TRP 73 HE3 TRP 73 -9.761 13.401 2.318 576 HZ2 TRP 73 HZ2 TRP 73 -12.839 11.759 5.878 577 HZ3 TRP 73 HZ3 TRP 73 -9.417 11.216 3.392 578 HH2 TRP 73 HH2 TRP 73 -10.923 10.411 5.139 579 H ALA 74 H ALA 74 -10.577 18.838 0.968 580 HA ALA 74 HA ALA 74 -9.124 18.126 -1.399 581 HB1 ALA 74 HB1 ALA 74 -9.737 20.381 -2.179 582 HB2 ALA 74 HB2 ALA 74 -10.248 20.813 -0.545 583 HB3 ALA 74 HB3 ALA 74 -11.116 19.568 -1.441 584 H LYS 75 H LYS 75 -8.352 19.956 1.469 585 HA LYS 75 HA LYS 75 -5.898 21.144 0.533 586 HB2 LYS 75 HB2 LYS 75 -7.098 20.875 3.318 587 HB3 LYS 75 HB3 LYS 75 -5.609 21.756 2.969 588 HG2 LYS 75 HG2 LYS 75 -6.874 23.337 1.566 589 HG3 LYS 75 HG3 LYS 75 -8.361 22.434 1.879 590 HD2 LYS 75 HD2 LYS 75 -8.203 24.445 3.300 591 HD3 LYS 75 HD3 LYS 75 -8.228 22.971 4.269 592 HE2 LYS 75 HE2 LYS 75 -5.836 23.131 4.673 593 HE3 LYS 75 HE3 LYS 75 -5.680 24.471 3.536 594 HZ1 LYS 75 HZ1 LYS 75 -5.678 25.239 5.809 595 HZ2 LYS 75 HZ2 LYS 75 -7.186 24.531 6.092 596 HZ3 LYS 75 HZ3 LYS 75 -7.048 25.816 5.003 597 H TYR 76 H TYR 76 -6.924 18.366 2.458 598 HA TYR 76 HA TYR 76 -4.493 17.263 3.269 599 HB2 TYR 76 HB2 TYR 76 -6.487 16.260 4.111 600 HB3 TYR 76 HB3 TYR 76 -7.182 16.081 2.510 601 HD1 TYR 76 HD2 TYR 76 -4.160 14.842 4.413 602 HD2 TYR 76 HD1 TYR 76 -7.316 13.894 1.680 603 HE1 TYR 76 HE2 TYR 76 -3.440 12.500 4.362 604 HE2 TYR 76 HE1 TYR 76 -6.576 11.555 1.641 605 HH TYR 76 HH TYR 76 -4.707 10.210 2.121 606 H ARG 77 H ARG 77 -6.277 16.901 0.233 607 HA ARG 77 HA ARG 77 -4.532 15.089 -1.075 608 HB2 ARG 77 HB2 ARG 77 -6.885 15.428 -1.746 609 HB3 ARG 77 HB3 ARG 77 -6.534 17.090 -2.208 610 HG2 ARG 77 HG2 ARG 77 -4.965 16.204 -3.967 611 HG3 ARG 77 HG3 ARG 77 -5.490 14.574 -3.543 612 HD2 ARG 77 HD2 ARG 77 -6.673 15.415 -5.534 613 HD3 ARG 77 HD3 ARG 77 -7.783 15.114 -4.195 614 HE ARG 77 HE ARG 77 -8.094 17.404 -3.920 615 HH11 ARG 77 HH11 ARG 77 -5.896 16.843 -6.599 616 HH12 ARG 77 HH12 ARG 77 -6.087 18.444 -7.234 617 HH21 ARG 77 HH21 ARG 77 -8.333 19.473 -4.741 618 HH22 ARG 77 HH22 ARG 77 -7.489 19.934 -6.181 619 H GLN 78 H GLN 78 -4.927 18.658 -1.368 620 HA GLN 78 HA GLN 78 -2.909 19.144 -3.219 621 HB2 GLN 78 HB2 GLN 78 -4.875 20.630 -2.504 622 HB3 GLN 78 HB3 GLN 78 -3.916 21.100 -1.108 623 HG2 GLN 78 HG2 GLN 78 -3.729 22.810 -2.802 624 HG3 GLN 78 HG3 GLN 78 -2.171 21.997 -2.661 625 HE21 GLN 78 HE21 GLN 78 -4.985 20.692 -4.395 626 HE22 GLN 78 HE22 GLN 78 -4.290 20.803 -5.967 627 H ALA 79 H ALA 79 -2.739 18.874 0.286 628 HA ALA 79 HA ALA 79 -0.185 20.159 0.611 629 HB1 ALA 79 HB1 ALA 79 -1.842 20.061 2.429 630 HB2 ALA 79 HB2 ALA 79 -0.301 19.351 2.922 631 HB3 ALA 79 HB3 ALA 79 -1.663 18.303 2.504 632 H LEU 80 H LEU 80 -1.268 16.871 0.075 633 HA LEU 80 HA LEU 80 1.161 15.454 0.486 634 HB2 LEU 80 HB2 LEU 80 -1.278 14.931 -1.238 635 HB3 LEU 80 HB3 LEU 80 0.017 13.758 -1.045 636 HG LEU 80 HG LEU 80 -1.482 14.832 1.377 637 HD11 LEU 80 HD11 LEU 80 -2.275 12.405 -0.250 638 HD12 LEU 80 HD12 LEU 80 -3.197 13.901 -0.093 639 HD13 LEU 80 HD13 LEU 80 -2.939 12.874 1.316 640 HD21 LEU 80 HD21 LEU 80 0.066 12.268 0.879 641 HD22 LEU 80 HD22 LEU 80 -0.715 12.734 2.399 642 HD23 LEU 80 HD23 LEU 80 0.641 13.675 1.785 643 H ARG 81 H ARG 81 -0.129 17.263 -2.225 644 HA ARG 81 HA ARG 81 1.660 16.505 -4.283 645 HB2 ARG 81 HB2 ARG 81 -0.453 17.616 -4.764 646 HB3 ARG 81 HB3 ARG 81 0.023 19.026 -3.834 647 HG2 ARG 81 HG2 ARG 81 1.791 19.513 -5.525 648 HG3 ARG 81 HG3 ARG 81 1.231 18.133 -6.472 649 HD2 ARG 81 HD2 ARG 81 -0.939 19.182 -6.804 650 HD3 ARG 81 HD3 ARG 81 -0.504 20.514 -5.733 651 HE ARG 81 HE ARG 81 1.348 20.339 -7.871 652 HH11 ARG 81 HH11 ARG 81 -1.957 21.395 -7.216 653 HH12 ARG 81 HH12 ARG 81 -1.979 22.520 -8.538 654 HH21 ARG 81 HH21 ARG 81 1.309 21.858 -9.544 655 HH22 ARG 81 HH22 ARG 81 -0.122 22.788 -9.847 656 H ASP 82 H ASP 82 1.957 18.767 -1.626 657 HA ASP 82 HA ASP 82 4.042 20.420 -2.598 658 HB2 ASP 82 HB2 ASP 82 2.637 21.133 -0.721 659 HB3 ASP 82 HB3 ASP 82 3.208 19.793 0.265 660 H LEU 83 H LEU 83 4.107 17.251 -1.015 661 HA LEU 83 HA LEU 83 6.876 17.323 -0.286 662 HB2 LEU 83 HB2 LEU 83 4.930 15.004 -0.560 663 HB3 LEU 83 HB3 LEU 83 6.622 14.768 -0.144 664 HG LEU 83 HG LEU 83 6.157 16.402 1.837 665 HD11 LEU 83 HD11 LEU 83 3.293 15.606 1.247 666 HD12 LEU 83 HD12 LEU 83 3.973 17.231 1.127 667 HD13 LEU 83 HD13 LEU 83 3.865 16.438 2.698 668 HD21 LEU 83 HD21 LEU 83 4.981 13.606 1.855 669 HD22 LEU 83 HD22 LEU 83 5.434 14.547 3.278 670 HD23 LEU 83 HD23 LEU 83 6.672 14.034 2.135 671 HA PRO 84 HA PRO 84 8.507 16.462 -4.455 672 HB2 PRO 84 HB2 PRO 84 11.172 16.347 -3.799 673 HB3 PRO 84 HB3 PRO 84 10.290 17.873 -3.954 674 HG2 PRO 84 HG2 PRO 84 10.974 16.326 -1.455 675 HG3 PRO 84 HG3 PRO 84 11.090 18.075 -1.748 676 HD2 PRO 84 HD2 PRO 84 8.993 16.961 -0.393 677 HD3 PRO 84 HD3 PRO 84 8.806 18.418 -1.395 678 H GLU 85 H GLU 85 8.597 14.551 -5.441 679 HA GLU 85 HA GLU 85 8.525 12.010 -4.196 680 HB2 GLU 85 HB2 GLU 85 9.130 12.775 -7.091 681 HB3 GLU 85 HB3 GLU 85 8.717 11.151 -6.543 682 HG2 GLU 85 HG2 GLU 85 6.490 11.802 -5.982 683 HG3 GLU 85 HG3 GLU 85 6.865 13.514 -6.169 684 H THR 86 H THR 86 11.019 13.680 -6.079 685 HA THR 86 HA THR 86 13.091 11.717 -5.526 686 HB THR 86 HB THR 86 14.505 13.265 -6.937 687 HG1 THR 86 HG1 THR 86 13.367 15.235 -6.437 688 HG21 THR 86 HG21 THR 86 11.826 12.521 -8.190 689 HG22 THR 86 HG22 THR 86 13.223 11.450 -8.036 690 HG23 THR 86 HG23 THR 86 13.315 12.875 -9.076 691 H VAL 87 H VAL 87 12.960 11.983 -3.190 692 HA VAL 87 HA VAL 87 13.630 14.491 -1.944 693 HB VAL 87 HB VAL 87 12.118 12.965 -0.777 694 HG11 VAL 87 HG11 VAL 87 12.815 10.820 0.223 695 HG12 VAL 87 HG12 VAL 87 14.413 10.989 -0.507 696 HG13 VAL 87 HG13 VAL 87 12.996 10.788 -1.536 697 HG21 VAL 87 HG21 VAL 87 13.112 13.027 1.497 698 HG22 VAL 87 HG22 VAL 87 13.454 14.519 0.617 699 HG23 VAL 87 HG23 VAL 87 14.711 13.294 0.795 700 H THR 88 H THR 88 15.574 15.292 -2.255 701 HA THR 88 HA THR 88 17.952 13.870 -2.855 702 HB THR 88 HB THR 88 17.655 16.769 -1.928 703 HG1 THR 88 HG1 THR 88 16.888 17.189 -3.855 704 HG21 THR 88 HG21 THR 88 19.820 15.445 -3.616 705 HG22 THR 88 HG22 THR 88 20.017 16.027 -1.963 706 HG23 THR 88 HG23 THR 88 19.707 17.173 -3.267 707 H ASP 89 H ASP 89 16.661 15.317 0.085 708 HA ASP 89 HA ASP 89 18.978 14.795 1.732 709 HB2 ASP 89 HB2 ASP 89 16.134 15.645 2.474 710 HB3 ASP 89 HB3 ASP 89 17.493 15.574 3.599 711 H LEU 90 H LEU 90 19.024 13.319 3.498 712 HA LEU 90 HA LEU 90 17.647 10.802 3.071 713 HB2 LEU 90 HB2 LEU 90 20.071 10.935 3.736 714 HB3 LEU 90 HB3 LEU 90 19.587 11.603 5.284 715 HG LEU 90 HG LEU 90 18.439 9.483 5.868 716 HD11 LEU 90 HD11 LEU 90 17.725 8.742 3.663 717 HD12 LEU 90 HD12 LEU 90 18.673 7.479 4.439 718 HD13 LEU 90 HD13 LEU 90 19.400 8.471 3.171 719 HD21 LEU 90 HD21 LEU 90 21.307 9.041 4.960 720 HD22 LEU 90 HD22 LEU 90 20.426 8.049 6.125 721 HD23 LEU 90 HD23 LEU 90 20.797 9.728 6.505 722 H SER 91 H SER 91 15.518 11.479 3.391 723 HA SER 91 HA SER 91 14.642 11.933 6.173 724 HB2 SER 91 HB2 SER 91 13.671 13.543 3.758 725 HB3 SER 91 HB3 SER 91 13.067 13.691 5.411 726 HG SER 91 HG SER 91 14.551 15.194 5.475 727 H GLN 92 H GLN 92 12.637 11.039 6.651 728 HA GLN 92 HA GLN 92 11.571 9.012 4.851 729 HB2 GLN 92 HB2 GLN 92 10.759 9.821 7.685 730 HB3 GLN 92 HB3 GLN 92 10.110 8.436 6.804 731 HG2 GLN 92 HG2 GLN 92 12.361 7.426 6.737 732 HG3 GLN 92 HG3 GLN 92 13.011 8.803 7.628 733 HE21 GLN 92 HE21 GLN 92 13.033 5.976 8.351 734 HE22 GLN 92 HE22 GLN 92 12.226 5.858 9.877 735 H ILE 93 H ILE 93 9.365 8.933 4.181 736 HA ILE 93 HA ILE 93 8.301 11.480 3.398 737 HB ILE 93 HB ILE 93 6.313 9.923 2.497 738 HG12 ILE 93 HG12 ILE 93 7.149 7.657 1.781 739 HG13 ILE 93 HG13 ILE 93 8.567 7.866 2.791 740 HG21 ILE 93 HG21 ILE 93 7.841 11.218 1.084 741 HG22 ILE 93 HG22 ILE 93 7.560 9.624 0.387 742 HG23 ILE 93 HG23 ILE 93 9.075 9.961 1.224 743 HD11 ILE 93 HD11 ILE 93 5.724 7.624 3.744 744 HD12 ILE 93 HD12 ILE 93 7.148 7.787 4.770 745 HD13 ILE 93 HD13 ILE 93 6.948 6.358 3.760 746 H VAL 94 H VAL 94 7.830 12.565 5.311 747 HA VAL 94 HA VAL 94 5.642 11.542 6.977 748 HB VAL 94 HB VAL 94 7.513 12.331 8.278 749 HG11 VAL 94 HG11 VAL 94 8.413 14.638 8.191 750 HG12 VAL 94 HG12 VAL 94 7.345 15.007 6.839 751 HG13 VAL 94 HG13 VAL 94 8.620 13.807 6.644 752 HG21 VAL 94 HG21 VAL 94 5.272 14.391 8.414 753 HG22 VAL 94 HG22 VAL 94 6.440 14.058 9.696 754 HG23 VAL 94 HG23 VAL 94 5.283 12.815 9.213 755 H TRP 95 H TRP 95 3.778 11.821 5.915 756 HA TRP 95 HA TRP 95 3.219 14.375 4.546 757 HB2 TRP 95 HB2 TRP 95 1.703 12.840 3.059 758 HB3 TRP 95 HB3 TRP 95 3.409 12.973 2.722 759 HD1 TRP 95 HD1 TRP 95 1.907 10.485 5.343 760 HE1 TRP 95 HE1 TRP 95 2.481 8.105 4.520 761 HE3 TRP 95 HE3 TRP 95 3.968 11.646 0.813 762 HZ2 TRP 95 HZ2 TRP 95 3.610 6.890 2.266 763 HZ3 TRP 95 HZ3 TRP 95 4.743 9.811 -0.633 764 HH2 TRP 95 HH2 TRP 95 4.567 7.479 0.078 765 HA PRO 96 HA PRO 96 -0.338 15.118 7.023 766 HB2 PRO 96 HB2 PRO 96 -1.897 15.360 4.435 767 HB3 PRO 96 HB3 PRO 96 -1.833 16.466 5.816 768 HG2 PRO 96 HG2 PRO 96 -0.481 17.026 3.604 769 HG3 PRO 96 HG3 PRO 96 0.253 17.335 5.195 770 HD2 PRO 96 HD2 PRO 96 0.796 15.110 3.241 771 HD3 PRO 96 HD3 PRO 96 1.924 15.986 4.300 772 H GLN 97 H GLN 97 -1.607 13.753 8.078 773 HA GLN 97 HA GLN 97 -2.850 11.409 6.839 774 HB2 GLN 97 HB2 GLN 97 -1.844 11.190 9.103 775 HB3 GLN 97 HB3 GLN 97 -2.937 12.416 9.723 776 HG2 GLN 97 HG2 GLN 97 -3.683 10.214 10.415 777 HG3 GLN 97 HG3 GLN 97 -4.854 10.919 9.310 778 HE21 GLN 97 HE21 GLN 97 -4.378 8.105 10.052 779 HE22 GLN 97 HE22 GLN 97 -4.132 7.260 8.566 780 H LEU 98 H LEU 98 -5.181 11.075 6.888 781 HA LEU 98 HA LEU 98 -6.587 13.354 5.943 782 HB2 LEU 98 HB2 LEU 98 -8.555 11.564 5.935 783 HB3 LEU 98 HB3 LEU 98 -7.250 11.504 4.771 784 HG LEU 98 HG LEU 98 -6.169 9.684 6.113 785 HD11 LEU 98 HD11 LEU 98 -8.696 9.736 7.781 786 HD12 LEU 98 HD12 LEU 98 -7.066 10.137 8.329 787 HD13 LEU 98 HD13 LEU 98 -7.441 8.487 7.842 788 HD21 LEU 98 HD21 LEU 98 -7.599 9.158 4.183 789 HD22 LEU 98 HD22 LEU 98 -9.015 9.087 5.240 790 HD23 LEU 98 HD23 LEU 98 -7.710 7.904 5.420 791 HA PRO 99 HA PRO 99 -8.490 15.071 9.553 792 HB2 PRO 99 HB2 PRO 99 -11.087 15.621 8.648 793 HB3 PRO 99 HB3 PRO 99 -9.665 16.622 8.335 794 HG2 PRO 99 HG2 PRO 99 -10.942 14.539 6.573 795 HG3 PRO 99 HG3 PRO 99 -10.314 16.144 6.135 796 HD2 PRO 99 HD2 PRO 99 -8.883 13.922 5.630 797 HD3 PRO 99 HD3 PRO 99 -8.077 15.414 6.171 798 H VAL 100 H VAL 100 -10.626 12.673 7.969 799 HA VAL 100 HA VAL 100 -11.892 11.986 10.536 800 HB VAL 100 HB VAL 100 -12.601 11.025 7.725 801 HG11 VAL 100 HG11 VAL 100 -14.779 10.341 8.750 802 HG12 VAL 100 HG12 VAL 100 -14.165 10.808 10.338 803 HG13 VAL 100 HG13 VAL 100 -13.407 9.481 9.456 804 HG21 VAL 100 HG21 VAL 100 -12.907 13.475 7.878 805 HG22 VAL 100 HG22 VAL 100 -13.884 13.290 9.335 806 HG23 VAL 100 HG23 VAL 100 -14.474 12.670 7.792 Start of MODEL 14 1 H MET 1 H MET 1 4.647 -5.712 6.595 2 HA MET 1 HA MET 1 5.235 -4.817 4.477 3 HB2 MET 1 HB2 MET 1 6.590 -2.904 5.149 4 HB3 MET 1 HB3 MET 1 7.783 -3.950 5.906 5 HG2 MET 1 HG2 MET 1 7.255 -4.033 2.929 6 HG3 MET 1 HG3 MET 1 8.397 -2.904 3.649 7 HE1 MET 1 HE1 MET 1 10.251 -4.012 1.916 8 HE2 MET 1 HE2 MET 1 9.038 -5.169 1.359 9 HE3 MET 1 HE3 MET 1 10.614 -5.741 1.906 10 H LEU 2 H LEU 2 5.714 -6.455 3.155 11 HA LEU 2 HA LEU 2 7.946 -8.286 3.762 12 HB2 LEU 2 HB2 LEU 2 6.562 -10.196 2.857 13 HB3 LEU 2 HB3 LEU 2 6.051 -9.565 4.405 14 HG LEU 2 HG LEU 2 4.264 -8.223 3.017 15 HD11 LEU 2 HD11 LEU 2 5.069 -8.696 0.768 16 HD12 LEU 2 HD12 LEU 2 3.442 -9.332 0.995 17 HD13 LEU 2 HD13 LEU 2 4.827 -10.429 1.019 18 HD21 LEU 2 HD21 LEU 2 3.693 -9.974 4.639 19 HD22 LEU 2 HD22 LEU 2 3.971 -11.220 3.420 20 HD23 LEU 2 HD23 LEU 2 2.647 -10.070 3.218 21 H LEU 3 H LEU 3 8.922 -9.246 1.849 22 HA LEU 3 HA LEU 3 9.297 -7.573 -0.330 23 HB2 LEU 3 HB2 LEU 3 9.716 -10.584 -0.195 24 HB3 LEU 3 HB3 LEU 3 10.441 -9.516 -1.397 25 HG LEU 3 HG LEU 3 11.018 -9.452 1.600 26 HD11 LEU 3 HD11 LEU 3 11.928 -11.479 0.581 27 HD12 LEU 3 HD12 LEU 3 13.220 -10.374 1.048 28 HD13 LEU 3 HD13 LEU 3 12.750 -10.521 -0.649 29 HD21 LEU 3 HD21 LEU 3 12.291 -7.882 -0.661 30 HD22 LEU 3 HD22 LEU 3 12.835 -7.889 1.018 31 HD23 LEU 3 HD23 LEU 3 11.250 -7.237 0.613 32 H HIS 4 H HIS 4 8.933 -8.135 -2.614 33 HA HIS 4 HA HIS 4 6.133 -9.029 -3.092 34 HB2 HIS 4 HB2 HIS 4 6.500 -6.538 -3.285 35 HB3 HIS 4 HB3 HIS 4 7.655 -6.832 -4.575 36 HD1 HIS 4 HD1 HIS 4 6.673 -7.648 -6.882 37 HD2 HIS 4 HD2 HIS 4 3.803 -6.721 -4.014 38 HE1 HIS 4 HE1 HIS 4 4.485 -7.546 -8.121 39 HE2 HIS 4 HE2 HIS 4 2.754 -7.146 -6.345 40 H SER 5 H SER 5 9.463 -8.953 -4.174 41 HA SER 5 HA SER 5 9.209 -11.540 -5.456 42 HB2 SER 5 HB2 SER 5 8.707 -10.014 -7.361 43 HB3 SER 5 HB3 SER 5 10.192 -9.119 -7.056 44 HG SER 5 HG SER 5 9.908 -11.200 -8.605 45 H VAL 6 H VAL 6 11.136 -12.661 -5.198 46 HA VAL 6 HA VAL 6 13.628 -11.263 -4.612 47 HB VAL 6 HB VAL 6 12.637 -11.480 -2.372 48 HG11 VAL 6 HG11 VAL 6 12.179 -13.638 -1.289 49 HG12 VAL 6 HG12 VAL 6 12.547 -14.480 -2.796 50 HG13 VAL 6 HG13 VAL 6 11.149 -13.405 -2.707 51 HG21 VAL 6 HG21 VAL 6 14.520 -12.600 -1.221 52 HG22 VAL 6 HG22 VAL 6 15.092 -11.627 -2.577 53 HG23 VAL 6 HG23 VAL 6 14.987 -13.380 -2.739 54 H GLU 7 H GLU 7 15.329 -12.290 -5.419 55 HA GLU 7 HA GLU 7 15.004 -14.789 -6.846 56 HB2 GLU 7 HB2 GLU 7 17.398 -12.913 -6.587 57 HB3 GLU 7 HB3 GLU 7 17.335 -14.327 -7.641 58 HG2 GLU 7 HG2 GLU 7 15.515 -13.349 -8.913 59 HG3 GLU 7 HG3 GLU 7 15.458 -11.953 -7.834 60 H THR 8 H THR 8 15.708 -16.700 -6.234 61 HA THR 8 HA THR 8 17.302 -17.055 -3.760 62 HB THR 8 HB THR 8 15.926 -19.093 -3.302 63 HG1 THR 8 HG1 THR 8 14.208 -18.226 -5.404 64 HG21 THR 8 HG21 THR 8 14.206 -16.615 -3.658 65 HG22 THR 8 HG22 THR 8 15.189 -16.998 -2.245 66 HG23 THR 8 HG23 THR 8 13.804 -18.007 -2.653 67 HA PRO 9 HA PRO 9 20.040 -19.783 -6.221 68 HB2 PRO 9 HB2 PRO 9 19.791 -21.673 -3.867 69 HB3 PRO 9 HB3 PRO 9 21.241 -21.119 -4.727 70 HG2 PRO 9 HG2 PRO 9 20.655 -20.049 -2.375 71 HG3 PRO 9 HG3 PRO 9 21.195 -18.992 -3.699 72 HD2 PRO 9 HD2 PRO 9 18.391 -19.443 -2.655 73 HD3 PRO 9 HD3 PRO 9 19.187 -17.927 -3.141 74 H ARG 10 H ARG 10 17.064 -20.983 -4.815 75 HA ARG 10 HA ARG 10 16.947 -23.382 -6.476 76 HB2 ARG 10 HB2 ARG 10 14.893 -23.907 -5.186 77 HB3 ARG 10 HB3 ARG 10 16.282 -23.591 -4.151 78 HG2 ARG 10 HG2 ARG 10 15.349 -21.201 -3.892 79 HG3 ARG 10 HG3 ARG 10 13.875 -21.820 -4.642 80 HD2 ARG 10 HD2 ARG 10 13.644 -21.854 -2.216 81 HD3 ARG 10 HD3 ARG 10 13.686 -23.517 -2.820 82 HE ARG 10 HE ARG 10 16.255 -22.446 -2.000 83 HH11 ARG 10 HH11 ARG 10 13.452 -24.266 -0.921 84 HH12 ARG 10 HH12 ARG 10 14.284 -24.950 0.435 85 HH21 ARG 10 HH21 ARG 10 17.313 -23.353 -0.223 86 HH22 ARG 10 HH22 ARG 10 16.467 -24.429 0.831 87 H GLY 11 H GLY 11 15.858 -20.123 -6.731 88 HA2 GLY 11 HA2 GLY 11 15.073 -20.112 -9.323 89 HA3 GLY 11 HA3 GLY 11 13.606 -20.646 -8.508 90 H GLU 12 H GLU 12 12.228 -18.939 -8.411 91 HA GLU 12 HA GLU 12 13.125 -16.528 -6.977 92 HB2 GLU 12 HB2 GLU 12 13.070 -15.950 -9.423 93 HB3 GLU 12 HB3 GLU 12 11.380 -16.433 -9.487 94 HG2 GLU 12 HG2 GLU 12 10.855 -14.635 -7.813 95 HG3 GLU 12 HG3 GLU 12 12.542 -14.130 -7.888 96 H ILE 13 H ILE 13 11.407 -15.506 -5.808 97 HA ILE 13 HA ILE 13 9.041 -17.168 -5.261 98 HB ILE 13 HB ILE 13 10.988 -16.195 -3.102 99 HG12 ILE 13 HG12 ILE 13 11.892 -18.193 -4.287 100 HG13 ILE 13 HG13 ILE 13 11.488 -18.563 -2.616 101 HG21 ILE 13 HG21 ILE 13 9.542 -17.414 -1.498 102 HG22 ILE 13 HG22 ILE 13 8.408 -17.772 -2.800 103 HG23 ILE 13 HG23 ILE 13 8.682 -16.100 -2.304 104 HD11 ILE 13 HD11 ILE 13 10.875 -20.374 -4.088 105 HD12 ILE 13 HD12 ILE 13 9.862 -19.296 -5.047 106 HD13 ILE 13 HD13 ILE 13 9.427 -19.662 -3.374 107 H LEU 14 H LEU 14 7.265 -15.871 -5.021 108 HA LEU 14 HA LEU 14 7.683 -12.927 -5.002 109 HB2 LEU 14 HB2 LEU 14 5.248 -14.514 -5.908 110 HB3 LEU 14 HB3 LEU 14 5.473 -12.777 -6.061 111 HG LEU 14 HG LEU 14 7.087 -14.901 -7.534 112 HD11 LEU 14 HD11 LEU 14 4.785 -14.806 -8.326 113 HD12 LEU 14 HD12 LEU 14 5.893 -14.180 -9.541 114 HD13 LEU 14 HD13 LEU 14 4.913 -13.061 -8.585 115 HD21 LEU 14 HD21 LEU 14 8.451 -12.923 -7.140 116 HD22 LEU 14 HD22 LEU 14 7.188 -11.875 -7.787 117 HD23 LEU 14 HD23 LEU 14 8.020 -13.020 -8.846 118 H ASN 15 H ASN 15 6.623 -11.646 -3.547 119 HA ASN 15 HA ASN 15 5.485 -10.902 -1.765 120 HB2 ASN 15 HB2 ASN 15 3.434 -12.893 -2.761 121 HB3 ASN 15 HB3 ASN 15 3.087 -11.590 -1.627 122 HD21 ASN 15 HD21 ASN 15 1.969 -12.116 -4.273 123 HD22 ASN 15 HD22 ASN 15 2.261 -10.695 -5.207 124 H VAL 16 H VAL 16 7.177 -11.883 -0.440 125 HA VAL 16 HA VAL 16 6.050 -13.659 1.610 126 HB VAL 16 HB VAL 16 8.149 -15.030 1.745 127 HG11 VAL 16 HG11 VAL 16 7.641 -16.572 -0.109 128 HG12 VAL 16 HG12 VAL 16 6.669 -15.327 -0.894 129 HG13 VAL 16 HG13 VAL 16 6.169 -15.984 0.667 130 HG21 VAL 16 HG21 VAL 16 8.861 -13.771 -0.942 131 HG22 VAL 16 HG22 VAL 16 9.728 -15.104 -0.175 132 HG23 VAL 16 HG23 VAL 16 9.715 -13.513 0.583 133 H SER 17 H SER 17 7.316 -13.631 3.613 134 HA SER 17 HA SER 17 8.386 -11.084 4.306 135 HB2 SER 17 HB2 SER 17 7.295 -12.532 5.979 136 HB3 SER 17 HB3 SER 17 8.550 -13.755 5.777 137 HG SER 17 HG SER 17 8.826 -11.132 6.855 138 H GLU 18 H GLU 18 10.529 -10.473 4.698 139 HA GLU 18 HA GLU 18 12.705 -11.582 3.282 140 HB2 GLU 18 HB2 GLU 18 12.645 -9.848 5.781 141 HB3 GLU 18 HB3 GLU 18 14.095 -10.144 4.817 142 HG2 GLU 18 HG2 GLU 18 13.172 -8.990 2.927 143 HG3 GLU 18 HG3 GLU 18 11.581 -8.890 3.677 144 H GLN 19 H GLN 19 11.454 -12.139 6.503 145 HA GLN 19 HA GLN 19 13.587 -13.613 7.649 146 HB2 GLN 19 HB2 GLN 19 10.616 -13.781 8.334 147 HB3 GLN 19 HB3 GLN 19 11.961 -14.218 9.388 148 HG2 GLN 19 HG2 GLN 19 11.341 -11.421 8.388 149 HG3 GLN 19 HG3 GLN 19 10.937 -12.038 9.987 150 HE21 GLN 19 HE21 GLN 19 12.663 -9.748 9.153 151 HE22 GLN 19 HE22 GLN 19 14.196 -10.046 9.896 152 H GLU 20 H GLU 20 10.585 -14.579 5.982 153 HA GLU 20 HA GLU 20 10.998 -17.406 6.158 154 HB2 GLU 20 HB2 GLU 20 8.728 -16.444 5.884 155 HB3 GLU 20 HB3 GLU 20 9.169 -15.820 4.300 156 HG2 GLU 20 HG2 GLU 20 9.428 -18.110 3.437 157 HG3 GLU 20 HG3 GLU 20 9.075 -18.760 5.040 158 H ALA 21 H ALA 21 11.352 -15.072 3.487 159 HA ALA 21 HA ALA 21 12.449 -16.472 1.471 160 HB1 ALA 21 HB1 ALA 21 13.697 -14.470 0.801 161 HB2 ALA 21 HB2 ALA 21 13.502 -13.793 2.422 162 HB3 ALA 21 HB3 ALA 21 12.090 -14.041 1.394 163 H ARG 22 H ARG 22 14.327 -15.313 4.293 164 HA ARG 22 HA ARG 22 16.790 -16.578 3.457 165 HB2 ARG 22 HB2 ARG 22 15.972 -15.392 6.141 166 HB3 ARG 22 HB3 ARG 22 17.609 -15.901 5.720 167 HG2 ARG 22 HG2 ARG 22 17.689 -14.208 3.943 168 HG3 ARG 22 HG3 ARG 22 16.037 -13.722 4.330 169 HD2 ARG 22 HD2 ARG 22 17.560 -12.145 5.316 170 HD3 ARG 22 HD3 ARG 22 16.809 -13.077 6.612 171 HE ARG 22 HE ARG 22 18.910 -14.425 6.651 172 HH11 ARG 22 HH11 ARG 22 19.009 -11.109 5.469 173 HH12 ARG 22 HH12 ARG 22 20.708 -10.924 5.772 174 HH21 ARG 22 HH21 ARG 22 21.133 -14.149 7.073 175 HH22 ARG 22 HH22 ARG 22 21.901 -12.635 6.713 176 H ASP 23 H ASP 23 14.055 -17.524 5.498 177 HA ASP 23 HA ASP 23 15.509 -19.473 7.065 178 HB2 ASP 23 HB2 ASP 23 13.665 -18.188 8.053 179 HB3 ASP 23 HB3 ASP 23 12.535 -18.819 6.863 180 H VAL 24 H VAL 24 12.699 -19.765 4.863 181 HA VAL 24 HA VAL 24 13.007 -22.617 4.534 182 HB VAL 24 HB VAL 24 11.135 -20.682 3.075 183 HG11 VAL 24 HG11 VAL 24 10.955 -23.707 3.345 184 HG12 VAL 24 HG12 VAL 24 11.376 -22.823 1.877 185 HG13 VAL 24 HG13 VAL 24 9.755 -22.671 2.557 186 HG21 VAL 24 HG21 VAL 24 10.763 -20.569 5.509 187 HG22 VAL 24 HG22 VAL 24 10.573 -22.322 5.574 188 HG23 VAL 24 HG23 VAL 24 9.389 -21.344 4.705 189 H PHE 25 H PHE 25 13.393 -19.738 2.469 190 HA PHE 25 HA PHE 25 13.934 -21.418 0.130 191 HB2 PHE 25 HB2 PHE 25 13.535 -18.400 0.284 192 HB3 PHE 25 HB3 PHE 25 13.540 -19.389 -1.174 193 HD1 PHE 25 HD2 PHE 25 11.773 -21.407 -1.152 194 HD2 PHE 25 HD1 PHE 25 11.412 -17.843 1.180 195 HE1 PHE 25 HE2 PHE 25 9.351 -21.781 -0.930 196 HE2 PHE 25 HE1 PHE 25 8.987 -18.223 1.399 197 HZ PHE 25 HZ PHE 25 7.965 -20.198 0.339 198 H GLY 26 H GLY 26 15.770 -19.697 2.436 199 HA2 GLY 26 HA2 GLY 26 17.977 -19.093 2.614 200 HA3 GLY 26 HA3 GLY 26 18.279 -20.362 1.436 201 H ALA 27 H ALA 27 16.611 -17.240 1.236 202 HA ALA 27 HA ALA 27 17.278 -16.839 -1.483 203 HB1 ALA 27 HB1 ALA 27 16.123 -14.861 0.521 204 HB2 ALA 27 HB2 ALA 27 15.203 -15.989 -0.472 205 HB3 ALA 27 HB3 ALA 27 16.109 -14.690 -1.241 206 H SER 28 H SER 28 18.487 -15.172 -2.429 207 HA SER 28 HA SER 28 21.009 -14.568 -1.287 208 HB2 SER 28 HB2 SER 28 19.636 -13.299 -3.705 209 HB3 SER 28 HB3 SER 28 21.368 -13.257 -3.343 210 HG SER 28 HG SER 28 21.062 -15.710 -3.382 211 H GLU 29 H GLU 29 21.549 -12.928 0.085 212 HA GLU 29 HA GLU 29 19.635 -11.125 1.173 213 HB2 GLU 29 HB2 GLU 29 22.679 -11.117 1.324 214 HB3 GLU 29 HB3 GLU 29 21.630 -10.090 2.301 215 HG2 GLU 29 HG2 GLU 29 20.680 -12.050 3.400 216 HG3 GLU 29 HG3 GLU 29 21.626 -13.125 2.367 217 H GLN 30 H GLN 30 22.045 -10.918 -1.377 218 HA GLN 30 HA GLN 30 22.057 -8.211 -2.037 219 HB2 GLN 30 HB2 GLN 30 22.098 -10.605 -3.925 220 HB3 GLN 30 HB3 GLN 30 22.637 -8.979 -4.338 221 HG2 GLN 30 HG2 GLN 30 24.488 -9.152 -2.744 222 HG3 GLN 30 HG3 GLN 30 23.918 -10.733 -2.211 223 HE21 GLN 30 HE21 GLN 30 24.128 -12.522 -3.646 224 HE22 GLN 30 HE22 GLN 30 25.247 -12.487 -4.961 225 H ALA 31 H ALA 31 19.821 -10.784 -3.072 226 HA ALA 31 HA ALA 31 18.187 -9.174 -4.752 227 HB1 ALA 31 HB1 ALA 31 16.605 -11.067 -4.727 228 HB2 ALA 31 HB2 ALA 31 17.508 -11.821 -3.407 229 HB3 ALA 31 HB3 ALA 31 18.254 -11.630 -4.998 230 H ILE 32 H ILE 32 17.306 -10.662 -1.574 231 HA ILE 32 HA ILE 32 15.289 -9.219 -0.659 232 HB ILE 32 HB ILE 32 17.743 -9.883 1.026 233 HG12 ILE 32 HG12 ILE 32 15.235 -11.557 0.593 234 HG13 ILE 32 HG13 ILE 32 16.742 -11.802 -0.279 235 HG21 ILE 32 HG21 ILE 32 14.888 -9.412 1.980 236 HG22 ILE 32 HG22 ILE 32 16.276 -8.358 2.278 237 HG23 ILE 32 HG23 ILE 32 16.225 -9.975 2.981 238 HD11 ILE 32 HD11 ILE 32 16.385 -12.071 2.699 239 HD12 ILE 32 HD12 ILE 32 17.872 -12.365 1.791 240 HD13 ILE 32 HD13 ILE 32 16.459 -13.386 1.532 241 H ALA 33 H ALA 33 18.528 -7.828 -0.958 242 HA ALA 33 HA ALA 33 18.002 -5.467 0.627 243 HB1 ALA 33 HB1 ALA 33 20.315 -6.271 0.358 244 HB2 ALA 33 HB2 ALA 33 20.157 -4.628 -0.269 245 HB3 ALA 33 HB3 ALA 33 20.224 -5.999 -1.380 246 H ASP 34 H ASP 34 18.560 -6.006 -2.836 247 HA ASP 34 HA ASP 34 17.600 -3.639 -3.921 248 HB2 ASP 34 HB2 ASP 34 18.824 -5.656 -5.065 249 HB3 ASP 34 HB3 ASP 34 17.218 -6.309 -5.339 250 H ALA 35 H ALA 35 15.794 -6.399 -2.803 251 HA ALA 35 HA ALA 35 13.345 -5.865 -4.240 252 HB1 ALA 35 HB1 ALA 35 12.476 -7.834 -3.050 253 HB2 ALA 35 HB2 ALA 35 13.923 -7.874 -2.034 254 HB3 ALA 35 HB3 ALA 35 14.049 -8.184 -3.765 255 H ARG 36 H ARG 36 14.471 -5.761 -0.848 256 HA ARG 36 HA ARG 36 12.108 -4.707 0.294 257 HB2 ARG 36 HB2 ARG 36 13.876 -5.686 1.720 258 HB3 ARG 36 HB3 ARG 36 14.978 -4.385 1.279 259 HG2 ARG 36 HG2 ARG 36 13.459 -2.741 2.369 260 HG3 ARG 36 HG3 ARG 36 12.378 -4.058 2.826 261 HD2 ARG 36 HD2 ARG 36 13.758 -3.390 4.715 262 HD3 ARG 36 HD3 ARG 36 14.162 -5.033 4.222 263 HE ARG 36 HE ARG 36 15.797 -2.729 3.344 264 HH11 ARG 36 HH11 ARG 36 15.624 -5.893 4.867 265 HH12 ARG 36 HH12 ARG 36 17.323 -5.956 5.209 266 HH21 ARG 36 HH21 ARG 36 18.017 -2.829 3.800 267 HH22 ARG 36 HH22 ARG 36 18.673 -4.204 4.627 268 H LYS 37 H LYS 37 15.146 -3.099 -0.727 269 HA LYS 37 HA LYS 37 14.605 -0.465 -0.608 270 HB2 LYS 37 HB2 LYS 37 16.700 -1.334 -1.544 271 HB3 LYS 37 HB3 LYS 37 15.849 -1.936 -2.959 272 HG2 LYS 37 HG2 LYS 37 15.264 0.522 -3.472 273 HG3 LYS 37 HG3 LYS 37 16.428 0.950 -2.218 274 HD2 LYS 37 HD2 LYS 37 17.494 1.061 -4.410 275 HD3 LYS 37 HD3 LYS 37 18.205 -0.257 -3.475 276 HE2 LYS 37 HE2 LYS 37 16.793 -1.879 -4.704 277 HE3 LYS 37 HE3 LYS 37 16.090 -0.561 -5.641 278 HZ1 LYS 37 HZ1 LYS 37 18.174 -0.130 -6.636 279 HZ2 LYS 37 HZ2 LYS 37 17.892 -1.796 -6.760 280 HZ3 LYS 37 HZ3 LYS 37 18.976 -1.206 -5.607 281 H ALA 38 H ALA 38 13.336 -2.645 -3.171 282 HA ALA 38 HA ALA 38 12.349 -0.473 -4.786 283 HB1 ALA 38 HB1 ALA 38 13.146 -2.563 -5.831 284 HB2 ALA 38 HB2 ALA 38 11.454 -2.265 -6.240 285 HB3 ALA 38 HB3 ALA 38 11.868 -3.472 -5.018 286 H THR 39 H THR 39 10.991 -2.915 -2.586 287 HA THR 39 HA THR 39 8.230 -2.365 -3.052 288 HB THR 39 HB THR 39 9.478 -3.751 -0.625 289 HG1 THR 39 HG1 THR 39 8.865 -4.637 -3.236 290 HG21 THR 39 HG21 THR 39 7.310 -4.907 -0.433 291 HG22 THR 39 HG22 THR 39 6.686 -4.001 -1.812 292 HG23 THR 39 HG23 THR 39 7.081 -3.162 -0.309 293 H ILE 40 H ILE 40 10.497 -1.427 -0.434 294 HA ILE 40 HA ILE 40 8.793 0.153 1.137 295 HB ILE 40 HB ILE 40 11.813 0.302 0.705 296 HG12 ILE 40 HG12 ILE 40 10.934 -1.720 1.887 297 HG13 ILE 40 HG13 ILE 40 11.985 -0.758 2.916 298 HG21 ILE 40 HG21 ILE 40 10.222 1.947 2.706 299 HG22 ILE 40 HG22 ILE 40 11.156 2.565 1.341 300 HG23 ILE 40 HG23 ILE 40 11.982 1.791 2.696 301 HD11 ILE 40 HD11 ILE 40 10.069 -1.598 4.127 302 HD12 ILE 40 HD12 ILE 40 8.974 -0.795 3.003 303 HD13 ILE 40 HD13 ILE 40 10.027 0.163 4.048 304 H LEU 41 H LEU 41 11.141 1.194 -1.341 305 HA LEU 41 HA LEU 41 10.569 3.921 -1.418 306 HB2 LEU 41 HB2 LEU 41 12.583 3.350 -2.385 307 HB3 LEU 41 HB3 LEU 41 11.948 1.961 -3.222 308 HG LEU 41 HG LEU 41 11.140 4.667 -4.268 309 HD11 LEU 41 HD11 LEU 41 13.907 3.505 -4.769 310 HD12 LEU 41 HD12 LEU 41 13.551 4.976 -3.864 311 HD13 LEU 41 HD13 LEU 41 13.205 4.906 -5.590 312 HD21 LEU 41 HD21 LEU 41 11.886 2.064 -5.659 313 HD22 LEU 41 HD22 LEU 41 11.285 3.526 -6.453 314 HD23 LEU 41 HD23 LEU 41 10.245 2.637 -5.340 315 H GLN 42 H GLN 42 8.875 1.294 -2.988 316 HA GLN 42 HA GLN 42 7.401 2.905 -4.881 317 HB2 GLN 42 HB2 GLN 42 7.986 0.552 -5.331 318 HB3 GLN 42 HB3 GLN 42 7.102 0.040 -3.900 319 HG2 GLN 42 HG2 GLN 42 4.984 0.748 -4.960 320 HG3 GLN 42 HG3 GLN 42 5.880 1.259 -6.393 321 HE21 GLN 42 HE21 GLN 42 4.950 -1.493 -4.438 322 HE22 GLN 42 HE22 GLN 42 5.196 -2.688 -5.655 323 H THR 43 H THR 43 6.804 1.224 -1.820 324 HA THR 43 HA THR 43 4.097 1.875 -1.411 325 HB THR 43 HB THR 43 6.243 1.146 0.640 326 HG1 THR 43 HG1 THR 43 5.956 -0.794 -0.131 327 HG21 THR 43 HG21 THR 43 3.221 1.068 1.001 328 HG22 THR 43 HG22 THR 43 4.317 2.194 1.801 329 HG23 THR 43 HG23 THR 43 4.418 0.470 2.154 330 H LEU 44 H LEU 44 7.075 3.658 -0.663 331 HA LEU 44 HA LEU 44 6.003 5.535 1.181 332 HB2 LEU 44 HB2 LEU 44 8.368 5.934 -0.687 333 HB3 LEU 44 HB3 LEU 44 8.010 6.892 0.740 334 HG LEU 44 HG LEU 44 9.009 4.038 0.607 335 HD11 LEU 44 HD11 LEU 44 10.733 5.715 0.450 336 HD12 LEU 44 HD12 LEU 44 10.857 4.848 1.978 337 HD13 LEU 44 HD13 LEU 44 10.181 6.480 1.942 338 HD21 LEU 44 HD21 LEU 44 7.239 4.023 2.292 339 HD22 LEU 44 HD22 LEU 44 7.985 5.391 3.122 340 HD23 LEU 44 HD23 LEU 44 8.825 3.841 3.045 341 H ARG 45 H ARG 45 6.119 5.430 -2.322 342 HA ARG 45 HA ARG 45 5.060 8.074 -2.784 343 HB2 ARG 45 HB2 ARG 45 6.411 7.018 -4.522 344 HB3 ARG 45 HB3 ARG 45 5.332 5.625 -4.568 345 HG2 ARG 45 HG2 ARG 45 3.515 7.107 -5.438 346 HG3 ARG 45 HG3 ARG 45 4.662 8.448 -5.478 347 HD2 ARG 45 HD2 ARG 45 4.354 7.374 -7.701 348 HD3 ARG 45 HD3 ARG 45 6.020 7.289 -7.135 349 HE ARG 45 HE ARG 45 5.772 4.967 -6.740 350 HH11 ARG 45 HH11 ARG 45 2.839 6.310 -8.176 351 HH12 ARG 45 HH12 ARG 45 2.301 4.782 -8.790 352 HH21 ARG 45 HH21 ARG 45 5.026 2.960 -7.545 353 HH22 ARG 45 HH22 ARG 45 3.533 2.887 -8.428 354 H ILE 46 H ILE 46 3.767 4.742 -2.768 355 HA ILE 46 HA ILE 46 1.143 5.476 -3.697 356 HB ILE 46 HB ILE 46 2.158 2.832 -2.570 357 HG12 ILE 46 HG12 ILE 46 1.789 3.727 -5.463 358 HG13 ILE 46 HG13 ILE 46 3.339 3.601 -4.635 359 HG21 ILE 46 HG21 ILE 46 0.195 1.772 -3.637 360 HG22 ILE 46 HG22 ILE 46 -0.408 3.355 -4.121 361 HG23 ILE 46 HG23 ILE 46 -0.306 2.943 -2.411 362 HD11 ILE 46 HD11 ILE 46 1.465 1.316 -5.235 363 HD12 ILE 46 HD12 ILE 46 3.022 1.192 -4.409 364 HD13 ILE 46 HD13 ILE 46 2.955 1.714 -6.092 365 H GLU 47 H GLU 47 2.566 5.327 -0.573 366 HA GLU 47 HA GLU 47 0.438 4.441 1.060 367 HB2 GLU 47 HB2 GLU 47 3.053 4.958 1.537 368 HB3 GLU 47 HB3 GLU 47 2.406 6.460 2.147 369 HG2 GLU 47 HG2 GLU 47 1.810 3.669 3.165 370 HG3 GLU 47 HG3 GLU 47 2.782 4.893 3.961 371 H ARG 48 H ARG 48 1.347 7.746 -0.005 372 HA ARG 48 HA ARG 48 -0.723 9.134 1.360 373 HB2 ARG 48 HB2 ARG 48 -0.398 10.980 -0.266 374 HB3 ARG 48 HB3 ARG 48 1.123 10.414 0.410 375 HG2 ARG 48 HG2 ARG 48 1.746 9.316 -1.612 376 HG3 ARG 48 HG3 ARG 48 0.126 9.454 -2.289 377 HD2 ARG 48 HD2 ARG 48 1.887 11.037 -3.237 378 HD3 ARG 48 HD3 ARG 48 0.386 11.788 -2.698 379 HE ARG 48 HE ARG 48 1.558 12.935 -1.152 380 HH11 ARG 48 HH11 ARG 48 3.629 10.220 -2.040 381 HH12 ARG 48 HH12 ARG 48 4.987 10.841 -1.151 382 HH21 ARG 48 HH21 ARG 48 3.280 13.682 0.018 383 HH22 ARG 48 HH22 ARG 48 4.786 12.828 -0.006 384 H ASP 49 H ASP 49 -0.609 7.517 -1.820 385 HA ASP 49 HA ASP 49 -3.126 8.436 -2.788 386 HB2 ASP 49 HB2 ASP 49 -1.630 5.882 -3.553 387 HB3 ASP 49 HB3 ASP 49 -2.918 6.648 -4.485 388 H GLU 50 H GLU 50 -2.154 5.794 -0.714 389 HA GLU 50 HA GLU 50 -4.571 4.282 -0.780 390 HB2 GLU 50 HB2 GLU 50 -2.264 4.329 1.202 391 HB3 GLU 50 HB3 GLU 50 -3.612 3.196 1.312 392 HG2 GLU 50 HG2 GLU 50 -1.653 3.415 -0.997 393 HG3 GLU 50 HG3 GLU 50 -1.649 2.173 0.253 394 H ARG 51 H ARG 51 -3.328 6.806 1.412 395 HA ARG 51 HA ARG 51 -5.771 6.801 2.980 396 HB2 ARG 51 HB2 ARG 51 -4.787 8.740 4.191 397 HB3 ARG 51 HB3 ARG 51 -3.773 7.305 4.185 398 HG2 ARG 51 HG2 ARG 51 -2.396 8.336 2.381 399 HG3 ARG 51 HG3 ARG 51 -3.374 9.801 2.521 400 HD2 ARG 51 HD2 ARG 51 -1.285 10.018 3.784 401 HD3 ARG 51 HD3 ARG 51 -2.669 10.057 4.877 402 HE ARG 51 HE ARG 51 -0.745 7.843 4.518 403 HH11 ARG 51 HH11 ARG 51 -3.405 9.210 6.362 404 HH12 ARG 51 HH12 ARG 51 -3.098 8.237 7.762 405 HH21 ARG 51 HH21 ARG 51 -0.365 6.550 6.339 406 HH22 ARG 51 HH22 ARG 51 -1.377 6.697 7.739 407 H LEU 52 H LEU 52 -4.658 8.475 0.122 408 HA LEU 52 HA LEU 52 -6.596 10.561 0.088 409 HB2 LEU 52 HB2 LEU 52 -4.729 9.383 -1.901 410 HB3 LEU 52 HB3 LEU 52 -6.219 9.946 -2.625 411 HG LEU 52 HG LEU 52 -5.769 12.210 -1.512 412 HD11 LEU 52 HD11 LEU 52 -2.997 11.096 -1.106 413 HD12 LEU 52 HD12 LEU 52 -4.158 11.491 0.164 414 HD13 LEU 52 HD13 LEU 52 -3.507 12.770 -0.860 415 HD21 LEU 52 HD21 LEU 52 -5.435 11.860 -3.915 416 HD22 LEU 52 HD22 LEU 52 -3.793 11.282 -3.621 417 HD23 LEU 52 HD23 LEU 52 -4.218 12.958 -3.259 418 H ARG 53 H ARG 53 -6.615 7.225 -1.219 419 HA ARG 53 HA ARG 53 -9.312 7.388 -2.222 420 HB2 ARG 53 HB2 ARG 53 -9.080 4.996 -2.786 421 HB3 ARG 53 HB3 ARG 53 -7.684 5.920 -3.332 422 HG2 ARG 53 HG2 ARG 53 -6.484 5.129 -1.237 423 HG3 ARG 53 HG3 ARG 53 -7.841 4.038 -0.958 424 HD2 ARG 53 HD2 ARG 53 -6.178 4.025 -3.502 425 HD3 ARG 53 HD3 ARG 53 -5.804 3.032 -2.091 426 HE ARG 53 HE ARG 53 -8.472 2.763 -3.280 427 HH11 ARG 53 HH11 ARG 53 -5.272 1.367 -2.809 428 HH12 ARG 53 HH12 ARG 53 -5.737 -0.184 -3.433 429 HH21 ARG 53 HH21 ARG 53 -9.047 0.736 -4.132 430 HH22 ARG 53 HH22 ARG 53 -7.866 -0.526 -4.192 431 H ALA 54 H ALA 54 -7.871 6.434 0.822 432 HA ALA 54 HA ALA 54 -10.180 5.165 1.961 433 HB1 ALA 54 HB1 ALA 54 -9.002 5.433 4.116 434 HB2 ALA 54 HB2 ALA 54 -7.814 6.490 3.346 435 HB3 ALA 54 HB3 ALA 54 -7.924 4.795 2.872 436 H CYS 55 H CYS 55 -8.813 8.455 2.170 437 HA CYS 55 HA CYS 55 -11.268 9.523 3.401 438 HB2 CYS 55 HB2 CYS 55 -8.554 10.826 2.867 439 HB3 CYS 55 HB3 CYS 55 -9.905 11.592 3.711 440 HG CYS 55 HG CYS 55 -9.774 9.175 5.547 441 H ASP 56 H ASP 56 -11.290 8.550 0.641 442 HA ASP 56 HA ASP 56 -11.557 10.928 -1.032 443 HB2 ASP 56 HB2 ASP 56 -10.646 8.784 -1.966 444 HB3 ASP 56 HB3 ASP 56 -12.207 8.018 -1.689 445 H TRP 57 H TRP 57 -13.497 9.006 1.052 446 HA TRP 57 HA TRP 57 -16.065 9.149 0.021 447 HB2 TRP 57 HB2 TRP 57 -16.890 8.950 2.348 448 HB3 TRP 57 HB3 TRP 57 -15.500 7.902 2.093 449 HD1 TRP 57 HD1 TRP 57 -13.226 8.528 3.422 450 HE1 TRP 57 HE1 TRP 57 -12.777 10.029 5.454 451 HE3 TRP 57 HE3 TRP 57 -17.655 11.103 3.552 452 HZ2 TRP 57 HZ2 TRP 57 -14.098 12.043 6.924 453 HZ3 TRP 57 HZ3 TRP 57 -17.983 12.811 5.292 454 HH2 TRP 57 HH2 TRP 57 -16.238 13.274 6.946 455 H THR 58 H THR 58 -14.187 11.618 1.632 456 HA THR 58 HA THR 58 -16.321 13.598 1.728 457 HB THR 58 HB THR 58 -14.873 13.611 3.625 458 HG1 THR 58 HG1 THR 58 -14.524 15.714 3.660 459 HG21 THR 58 HG21 THR 58 -12.932 12.436 2.636 460 HG22 THR 58 HG22 THR 58 -12.444 13.876 3.528 461 HG23 THR 58 HG23 THR 58 -12.492 13.908 1.766 462 H GLN 59 H GLN 59 -13.573 12.793 -0.268 463 HA GLN 59 HA GLN 59 -13.347 15.404 -1.529 464 HB2 GLN 59 HB2 GLN 59 -11.881 12.785 -2.076 465 HB3 GLN 59 HB3 GLN 59 -11.467 14.349 -2.775 466 HG2 GLN 59 HG2 GLN 59 -11.357 13.632 0.174 467 HG3 GLN 59 HG3 GLN 59 -9.973 13.770 -0.911 468 HE21 GLN 59 HE21 GLN 59 -12.453 15.551 0.834 469 HE22 GLN 59 HE22 GLN 59 -11.726 17.109 0.676 470 H VAL 60 H VAL 60 -15.150 12.547 -2.096 471 HA VAL 60 HA VAL 60 -15.507 12.952 -4.958 472 HB VAL 60 HB VAL 60 -15.487 10.662 -3.792 473 HG11 VAL 60 HG11 VAL 60 -17.566 9.817 -2.786 474 HG12 VAL 60 HG12 VAL 60 -18.303 11.415 -2.933 475 HG13 VAL 60 HG13 VAL 60 -16.918 11.177 -1.864 476 HG21 VAL 60 HG21 VAL 60 -17.880 11.266 -5.570 477 HG22 VAL 60 HG22 VAL 60 -17.188 9.666 -5.283 478 HG23 VAL 60 HG23 VAL 60 -16.241 10.899 -6.117 479 H GLN 61 H GLN 61 -17.638 13.475 -5.895 480 HA GLN 61 HA GLN 61 -18.793 15.777 -4.619 481 HB2 GLN 61 HB2 GLN 61 -18.408 15.549 -7.088 482 HB3 GLN 61 HB3 GLN 61 -19.692 14.351 -7.160 483 HG2 GLN 61 HG2 GLN 61 -21.351 16.029 -6.522 484 HG3 GLN 61 HG3 GLN 61 -20.081 17.232 -6.277 485 HE21 GLN 61 HE21 GLN 61 -20.933 18.661 -7.776 486 HE22 GLN 61 HE22 GLN 61 -20.917 18.375 -9.479 487 H ASP 62 H ASP 62 -19.602 12.434 -4.621 488 HA ASP 62 HA ASP 62 -22.422 12.493 -4.447 489 HB2 ASP 62 HB2 ASP 62 -20.420 10.397 -3.514 490 HB3 ASP 62 HB3 ASP 62 -22.167 10.146 -3.502 491 H VAL 63 H VAL 63 -19.944 12.711 -1.910 492 HA VAL 63 HA VAL 63 -21.740 12.414 0.297 493 HB VAL 63 HB VAL 63 -19.251 12.073 0.489 494 HG11 VAL 63 HG11 VAL 63 -18.466 14.001 -0.791 495 HG12 VAL 63 HG12 VAL 63 -17.768 14.005 0.825 496 HG13 VAL 63 HG13 VAL 63 -19.093 15.098 0.438 497 HG21 VAL 63 HG21 VAL 63 -20.419 14.050 2.472 498 HG22 VAL 63 HG22 VAL 63 -19.023 13.012 2.767 499 HG23 VAL 63 HG23 VAL 63 -20.621 12.294 2.525 500 H VAL 64 H VAL 64 -22.669 13.982 1.599 501 HA VAL 64 HA VAL 64 -23.067 16.632 0.368 502 HB VAL 64 HB VAL 64 -24.795 15.242 2.472 503 HG11 VAL 64 HG11 VAL 64 -25.053 17.683 2.478 504 HG12 VAL 64 HG12 VAL 64 -26.512 16.924 1.845 505 HG13 VAL 64 HG13 VAL 64 -25.366 17.685 0.739 506 HG21 VAL 64 HG21 VAL 64 -24.806 13.908 0.392 507 HG22 VAL 64 HG22 VAL 64 -25.239 15.338 -0.547 508 HG23 VAL 64 HG23 VAL 64 -26.373 14.681 0.636 509 H LEU 65 H LEU 65 -21.109 17.446 1.160 510 HA LEU 65 HA LEU 65 -21.093 18.167 4.041 511 HB2 LEU 65 HB2 LEU 65 -18.739 17.618 2.174 512 HB3 LEU 65 HB3 LEU 65 -18.548 18.453 3.711 513 HG LEU 65 HG LEU 65 -19.614 15.614 3.460 514 HD11 LEU 65 HD11 LEU 65 -17.322 15.677 2.659 515 HD12 LEU 65 HD12 LEU 65 -17.409 14.853 4.211 516 HD13 LEU 65 HD13 LEU 65 -16.793 16.507 4.125 517 HD21 LEU 65 HD21 LEU 65 -19.136 15.492 5.893 518 HD22 LEU 65 HD22 LEU 65 -20.350 16.712 5.505 519 HD23 LEU 65 HD23 LEU 65 -18.697 17.207 5.880 520 H THR 66 H THR 66 -20.077 20.296 4.438 521 HA THR 66 HA THR 66 -20.929 22.307 2.527 522 HB THR 66 HB THR 66 -20.135 23.937 4.220 523 HG1 THR 66 HG1 THR 66 -19.209 23.048 6.202 524 HG21 THR 66 HG21 THR 66 -21.576 23.288 6.135 525 HG22 THR 66 HG22 THR 66 -21.648 21.632 5.532 526 HG23 THR 66 HG23 THR 66 -22.381 22.943 4.605 527 H ALA 67 H ALA 67 -19.424 23.939 1.643 528 HA ALA 67 HA ALA 67 -17.205 22.862 0.316 529 HB1 ALA 67 HB1 ALA 67 -17.747 25.800 0.882 530 HB2 ALA 67 HB2 ALA 67 -18.388 24.869 -0.475 531 HB3 ALA 67 HB3 ALA 67 -16.652 25.170 -0.352 532 H ASP 68 H ASP 68 -17.394 24.845 3.246 533 HA ASP 68 HA ASP 68 -14.697 25.156 3.858 534 HB2 ASP 68 HB2 ASP 68 -16.524 26.353 5.027 535 HB3 ASP 68 HB3 ASP 68 -17.021 24.855 5.807 536 H GLN 69 H GLN 69 -16.869 22.482 4.942 537 HA GLN 69 HA GLN 69 -14.905 20.983 6.355 538 HB2 GLN 69 HB2 GLN 69 -17.504 20.091 5.050 539 HB3 GLN 69 HB3 GLN 69 -16.466 18.972 5.935 540 HG2 GLN 69 HG2 GLN 69 -16.707 20.377 7.961 541 HG3 GLN 69 HG3 GLN 69 -17.795 21.448 7.080 542 HE21 GLN 69 HE21 GLN 69 -19.878 20.713 6.562 543 HE22 GLN 69 HE22 GLN 69 -20.582 19.336 7.329 544 H LYS 70 H LYS 70 -16.052 20.706 3.028 545 HA LYS 70 HA LYS 70 -14.371 18.629 2.119 546 HB2 LYS 70 HB2 LYS 70 -16.044 20.738 0.746 547 HB3 LYS 70 HB3 LYS 70 -14.959 19.731 -0.214 548 HG2 LYS 70 HG2 LYS 70 -16.098 17.722 0.406 549 HG3 LYS 70 HG3 LYS 70 -17.029 18.549 1.659 550 HD2 LYS 70 HD2 LYS 70 -18.434 19.627 0.086 551 HD3 LYS 70 HD3 LYS 70 -17.311 19.356 -1.253 552 HE2 LYS 70 HE2 LYS 70 -18.863 17.161 0.170 553 HE3 LYS 70 HE3 LYS 70 -19.362 17.918 -1.342 554 HZ1 LYS 70 HZ1 LYS 70 -17.258 17.148 -2.335 555 HZ2 LYS 70 HZ2 LYS 70 -18.230 15.873 -1.803 556 HZ3 LYS 70 HZ3 LYS 70 -16.882 16.341 -0.898 557 H ALA 71 H ALA 71 -13.653 21.886 2.829 558 HA ALA 71 HA ALA 71 -11.490 22.209 0.847 559 HB1 ALA 71 HB1 ALA 71 -12.925 24.191 1.228 560 HB2 ALA 71 HB2 ALA 71 -11.273 24.514 1.753 561 HB3 ALA 71 HB3 ALA 71 -12.529 24.171 2.946 562 H THR 72 H THR 72 -12.058 22.345 4.329 563 HA THR 72 HA THR 72 -9.553 22.129 5.439 564 HB THR 72 HB THR 72 -11.934 20.522 6.512 565 HG1 THR 72 HG1 THR 72 -12.925 22.391 6.686 566 HG21 THR 72 HG21 THR 72 -9.723 22.022 7.963 567 HG22 THR 72 HG22 THR 72 -9.747 20.277 7.697 568 HG23 THR 72 HG23 THR 72 -10.987 21.031 8.701 569 H TRP 73 H TRP 73 -11.558 19.481 4.182 570 HA TRP 73 HA TRP 73 -9.625 17.390 4.573 571 HB2 TRP 73 HB2 TRP 73 -12.264 17.572 3.115 572 HB3 TRP 73 HB3 TRP 73 -11.236 16.171 2.881 573 HD1 TRP 73 HD1 TRP 73 -13.768 17.590 5.307 574 HE1 TRP 73 HE1 TRP 73 -14.057 15.931 7.246 575 HE3 TRP 73 HE3 TRP 73 -9.770 14.513 4.375 576 HZ2 TRP 73 HZ2 TRP 73 -12.776 13.637 8.251 577 HZ3 TRP 73 HZ3 TRP 73 -9.384 12.605 5.881 578 HH2 TRP 73 HH2 TRP 73 -10.858 12.179 7.780 579 H ALA 74 H ALA 74 -10.385 19.612 1.931 580 HA ALA 74 HA ALA 74 -8.736 18.393 -0.075 581 HB1 ALA 74 HB1 ALA 74 -9.692 21.276 0.117 582 HB2 ALA 74 HB2 ALA 74 -10.551 19.952 -0.670 583 HB3 ALA 74 HB3 ALA 74 -9.006 20.501 -1.317 584 H LYS 75 H LYS 75 -8.105 20.409 2.672 585 HA LYS 75 HA LYS 75 -5.493 21.364 1.825 586 HB2 LYS 75 HB2 LYS 75 -6.928 21.467 4.522 587 HB3 LYS 75 HB3 LYS 75 -5.315 22.134 4.249 588 HG2 LYS 75 HG2 LYS 75 -6.200 23.716 2.618 589 HG3 LYS 75 HG3 LYS 75 -7.810 23.009 2.767 590 HD2 LYS 75 HD2 LYS 75 -7.864 23.717 5.165 591 HD3 LYS 75 HD3 LYS 75 -6.288 24.483 4.948 592 HE2 LYS 75 HE2 LYS 75 -7.277 25.996 3.236 593 HE3 LYS 75 HE3 LYS 75 -8.852 25.243 3.501 594 HZ1 LYS 75 HZ1 LYS 75 -8.674 27.279 4.739 595 HZ2 LYS 75 HZ2 LYS 75 -7.268 26.747 5.502 596 HZ3 LYS 75 HZ3 LYS 75 -8.740 25.975 5.817 597 H TYR 76 H TYR 76 -6.877 18.790 3.804 598 HA TYR 76 HA TYR 76 -4.496 17.573 4.720 599 HB2 TYR 76 HB2 TYR 76 -6.653 16.911 5.665 600 HB3 TYR 76 HB3 TYR 76 -7.240 16.384 4.093 601 HD1 TYR 76 HD1 TYR 76 -4.117 15.678 6.090 602 HD2 TYR 76 HD2 TYR 76 -7.489 14.027 4.052 603 HE1 TYR 76 HE1 TYR 76 -3.298 13.421 6.548 604 HE2 TYR 76 HE2 TYR 76 -6.665 11.754 4.534 605 HH TYR 76 HH TYR 76 -4.068 11.165 6.724 606 H ARG 77 H ARG 77 -6.494 16.961 1.843 607 HA ARG 77 HA ARG 77 -4.974 14.839 0.758 608 HB2 ARG 77 HB2 ARG 77 -7.339 15.185 0.165 609 HB3 ARG 77 HB3 ARG 77 -6.947 16.735 -0.581 610 HG2 ARG 77 HG2 ARG 77 -5.636 15.615 -2.320 611 HG3 ARG 77 HG3 ARG 77 -5.928 14.045 -1.569 612 HD2 ARG 77 HD2 ARG 77 -8.325 14.250 -2.046 613 HD3 ARG 77 HD3 ARG 77 -8.070 15.863 -2.714 614 HE ARG 77 HE ARG 77 -7.217 13.314 -3.916 615 HH11 ARG 77 HH11 ARG 77 -7.735 16.789 -4.276 616 HH12 ARG 77 HH12 ARG 77 -7.472 16.763 -5.992 617 HH21 ARG 77 HH21 ARG 77 -6.868 13.307 -6.145 618 HH22 ARG 77 HH22 ARG 77 -6.979 14.780 -7.049 619 H GLN 78 H GLN 78 -5.162 18.305 -0.219 620 HA GLN 78 HA GLN 78 -3.205 18.249 -2.189 621 HB2 GLN 78 HB2 GLN 78 -4.802 20.151 -1.836 622 HB3 GLN 78 HB3 GLN 78 -3.871 20.647 -0.427 623 HG2 GLN 78 HG2 GLN 78 -3.289 22.024 -2.374 624 HG3 GLN 78 HG3 GLN 78 -1.900 21.073 -1.847 625 HE21 GLN 78 HE21 GLN 78 -4.602 19.819 -3.769 626 HE22 GLN 78 HE22 GLN 78 -3.695 19.538 -5.201 627 H ALA 79 H ALA 79 -2.813 18.874 1.320 628 HA ALA 79 HA ALA 79 -0.095 19.620 1.288 629 HB1 ALA 79 HB1 ALA 79 -0.049 19.026 3.673 630 HB2 ALA 79 HB2 ALA 79 -1.581 18.160 3.493 631 HB3 ALA 79 HB3 ALA 79 -1.524 19.909 3.263 632 H LEU 80 H LEU 80 -1.552 16.370 1.736 633 HA LEU 80 HA LEU 80 0.610 14.710 1.782 634 HB2 LEU 80 HB2 LEU 80 -2.104 14.455 0.460 635 HB3 LEU 80 HB3 LEU 80 -0.964 13.119 0.429 636 HG LEU 80 HG LEU 80 -1.743 14.371 3.080 637 HD11 LEU 80 HD11 LEU 80 -3.872 13.795 2.022 638 HD12 LEU 80 HD12 LEU 80 -3.505 12.730 3.374 639 HD13 LEU 80 HD13 LEU 80 -3.293 12.155 1.720 640 HD21 LEU 80 HD21 LEU 80 -1.123 12.194 3.955 641 HD22 LEU 80 HD22 LEU 80 0.187 12.830 2.963 642 HD23 LEU 80 HD23 LEU 80 -0.871 11.571 2.322 643 H ARG 81 H ARG 81 -1.072 15.571 -1.285 644 HA ARG 81 HA ARG 81 0.848 14.245 -2.918 645 HB2 ARG 81 HB2 ARG 81 -0.396 15.103 -4.837 646 HB3 ARG 81 HB3 ARG 81 -1.507 14.505 -3.611 647 HG2 ARG 81 HG2 ARG 81 -2.022 16.794 -2.908 648 HG3 ARG 81 HG3 ARG 81 -0.843 17.443 -4.049 649 HD2 ARG 81 HD2 ARG 81 -3.378 15.923 -4.769 650 HD3 ARG 81 HD3 ARG 81 -3.132 17.665 -4.925 651 HE ARG 81 HE ARG 81 -2.000 15.551 -6.609 652 HH11 ARG 81 HH11 ARG 81 -1.988 19.008 -5.872 653 HH12 ARG 81 HH12 ARG 81 -1.376 19.457 -7.427 654 HH21 ARG 81 HH21 ARG 81 -1.145 16.155 -8.615 655 HH22 ARG 81 HH22 ARG 81 -0.913 17.828 -8.998 656 H ASP 82 H ASP 82 0.745 17.485 -1.661 657 HA ASP 82 HA ASP 82 2.390 18.735 -3.681 658 HB2 ASP 82 HB2 ASP 82 0.762 20.052 -2.400 659 HB3 ASP 82 HB3 ASP 82 1.581 19.665 -0.889 660 H LEU 83 H LEU 83 2.929 17.584 -0.326 661 HA LEU 83 HA LEU 83 5.665 18.341 -0.089 662 HB2 LEU 83 HB2 LEU 83 4.025 16.268 1.417 663 HB3 LEU 83 HB3 LEU 83 5.667 16.706 1.869 664 HG LEU 83 HG LEU 83 3.336 18.666 1.821 665 HD11 LEU 83 HD11 LEU 83 3.322 18.507 4.279 666 HD12 LEU 83 HD12 LEU 83 4.503 17.194 4.205 667 HD13 LEU 83 HD13 LEU 83 2.894 16.979 3.506 668 HD21 LEU 83 HD21 LEU 83 6.138 18.959 2.968 669 HD22 LEU 83 HD22 LEU 83 4.833 20.147 3.092 670 HD23 LEU 83 HD23 LEU 83 5.511 19.748 1.516 671 HA PRO 84 HA PRO 84 7.128 14.749 -2.586 672 HB2 PRO 84 HB2 PRO 84 9.447 16.173 -3.463 673 HB3 PRO 84 HB3 PRO 84 7.924 16.018 -4.336 674 HG2 PRO 84 HG2 PRO 84 8.969 18.409 -3.269 675 HG3 PRO 84 HG3 PRO 84 7.303 18.160 -3.831 676 HD2 PRO 84 HD2 PRO 84 8.401 18.057 -1.025 677 HD3 PRO 84 HD3 PRO 84 6.851 18.701 -1.608 678 H GLU 85 H GLU 85 7.404 14.306 -0.036 679 HA GLU 85 HA GLU 85 9.997 14.322 1.116 680 HB2 GLU 85 HB2 GLU 85 8.902 12.440 2.629 681 HB3 GLU 85 HB3 GLU 85 8.364 14.104 2.756 682 HG2 GLU 85 HG2 GLU 85 6.507 12.424 2.820 683 HG3 GLU 85 HG3 GLU 85 6.326 13.635 1.558 684 H THR 86 H THR 86 8.510 12.196 -1.160 685 HA THR 86 HA THR 86 10.508 10.068 -0.823 686 HB THR 86 HB THR 86 8.059 9.515 -0.994 687 HG1 THR 86 HG1 THR 86 9.420 7.876 -1.438 688 HG21 THR 86 HG21 THR 86 7.353 11.152 -2.713 689 HG22 THR 86 HG22 THR 86 6.939 9.505 -3.190 690 HG23 THR 86 HG23 THR 86 8.328 10.308 -3.923 691 H VAL 87 H VAL 87 10.706 12.913 -2.165 692 HA VAL 87 HA VAL 87 12.383 12.024 -4.455 693 HB VAL 87 HB VAL 87 10.979 14.742 -4.196 694 HG11 VAL 87 HG11 VAL 87 12.571 13.584 -6.527 695 HG12 VAL 87 HG12 VAL 87 13.119 14.860 -5.438 696 HG13 VAL 87 HG13 VAL 87 11.751 15.153 -6.514 697 HG21 VAL 87 HG21 VAL 87 10.246 12.417 -6.013 698 HG22 VAL 87 HG22 VAL 87 9.505 14.020 -6.056 699 HG23 VAL 87 HG23 VAL 87 9.310 12.993 -4.633 700 H THR 88 H THR 88 14.481 12.526 -4.206 701 HA THR 88 HA THR 88 16.469 13.179 -3.390 702 HB THR 88 HB THR 88 16.848 15.641 -3.074 703 HG1 THR 88 HG1 THR 88 14.066 15.898 -3.603 704 HG21 THR 88 HG21 THR 88 16.258 16.342 -5.365 705 HG22 THR 88 HG22 THR 88 15.172 14.957 -5.512 706 HG23 THR 88 HG23 THR 88 16.912 14.703 -5.355 707 H ASP 89 H ASP 89 14.770 12.028 -1.369 708 HA ASP 89 HA ASP 89 16.055 13.074 1.058 709 HB2 ASP 89 HB2 ASP 89 13.913 14.289 0.930 710 HB3 ASP 89 HB3 ASP 89 13.033 12.775 0.774 711 H LEU 90 H LEU 90 15.858 11.607 2.906 712 HA LEU 90 HA LEU 90 15.261 8.805 2.304 713 HB2 LEU 90 HB2 LEU 90 17.463 7.976 2.820 714 HB3 LEU 90 HB3 LEU 90 17.628 9.184 1.560 715 HG LEU 90 HG LEU 90 18.282 9.652 4.508 716 HD11 LEU 90 HD11 LEU 90 20.220 9.200 2.222 717 HD12 LEU 90 HD12 LEU 90 19.845 8.054 3.511 718 HD13 LEU 90 HD13 LEU 90 20.636 9.577 3.900 719 HD21 LEU 90 HD21 LEU 90 18.852 11.459 2.128 720 HD22 LEU 90 HD22 LEU 90 19.374 11.734 3.794 721 HD23 LEU 90 HD23 LEU 90 17.659 11.752 3.396 722 H SER 91 H SER 91 14.600 11.195 4.304 723 HA SER 91 HA SER 91 15.494 10.172 6.850 724 HB2 SER 91 HB2 SER 91 14.152 12.055 7.821 725 HB3 SER 91 HB3 SER 91 15.272 12.593 6.571 726 HG SER 91 HG SER 91 13.639 13.092 5.284 727 H GLN 92 H GLN 92 12.126 10.805 5.704 728 HA GLN 92 HA GLN 92 11.140 8.199 5.992 729 HB2 GLN 92 HB2 GLN 92 9.766 8.367 8.055 730 HB3 GLN 92 HB3 GLN 92 11.490 8.419 8.397 731 HG2 GLN 92 HG2 GLN 92 11.346 10.886 8.645 732 HG3 GLN 92 HG3 GLN 92 9.605 10.787 8.365 733 HE21 GLN 92 HE21 GLN 92 11.155 11.695 10.744 734 HE22 GLN 92 HE22 GLN 92 10.570 10.750 12.068 735 H ILE 93 H ILE 93 8.727 8.095 5.964 736 HA ILE 93 HA ILE 93 7.546 10.246 4.400 737 HB ILE 93 HB ILE 93 5.503 8.732 4.320 738 HG12 ILE 93 HG12 ILE 93 7.328 6.669 5.659 739 HG13 ILE 93 HG13 ILE 93 5.927 7.414 6.416 740 HG21 ILE 93 HG21 ILE 93 7.132 8.756 2.512 741 HG22 ILE 93 HG22 ILE 93 6.498 7.129 2.733 742 HG23 ILE 93 HG23 ILE 93 8.109 7.538 3.330 743 HD11 ILE 93 HD11 ILE 93 5.874 5.602 4.001 744 HD12 ILE 93 HD12 ILE 93 4.460 6.335 4.769 745 HD13 ILE 93 HD13 ILE 93 5.441 5.164 5.651 746 H VAL 94 H VAL 94 7.110 12.033 5.679 747 HA VAL 94 HA VAL 94 5.179 11.615 7.875 748 HB VAL 94 HB VAL 94 7.297 12.381 8.814 749 HG11 VAL 94 HG11 VAL 94 8.294 13.456 6.843 750 HG12 VAL 94 HG12 VAL 94 8.343 14.541 8.235 751 HG13 VAL 94 HG13 VAL 94 7.140 14.788 6.967 752 HG21 VAL 94 HG21 VAL 94 5.232 13.189 9.881 753 HG22 VAL 94 HG22 VAL 94 5.217 14.607 8.831 754 HG23 VAL 94 HG23 VAL 94 6.505 14.403 10.019 755 H TRP 95 H TRP 95 3.284 12.395 7.448 756 HA TRP 95 HA TRP 95 2.868 14.819 5.853 757 HB2 TRP 95 HB2 TRP 95 0.790 13.376 4.897 758 HB3 TRP 95 HB3 TRP 95 2.332 13.489 4.074 759 HD1 TRP 95 HD1 TRP 95 0.952 11.018 6.818 760 HE1 TRP 95 HE1 TRP 95 1.528 8.641 6.015 761 HE3 TRP 95 HE3 TRP 95 3.269 12.170 2.399 762 HZ2 TRP 95 HZ2 TRP 95 2.791 7.429 3.821 763 HZ3 TRP 95 HZ3 TRP 95 4.118 10.331 0.996 764 HH2 TRP 95 HH2 TRP 95 3.878 8.008 1.699 765 HA PRO 96 HA PRO 96 -0.057 15.929 9.002 766 HB2 PRO 96 HB2 PRO 96 -2.389 16.674 7.695 767 HB3 PRO 96 HB3 PRO 96 -0.936 17.684 7.755 768 HG2 PRO 96 HG2 PRO 96 -1.829 15.774 5.582 769 HG3 PRO 96 HG3 PRO 96 -1.256 17.452 5.424 770 HD2 PRO 96 HD2 PRO 96 0.409 15.419 4.940 771 HD3 PRO 96 HD3 PRO 96 1.000 16.848 5.818 772 H GLN 97 H GLN 97 -1.709 15.142 10.262 773 HA GLN 97 HA GLN 97 -3.019 12.620 9.538 774 HB2 GLN 97 HB2 GLN 97 -2.119 12.907 11.849 775 HB3 GLN 97 HB3 GLN 97 -3.216 14.259 12.110 776 HG2 GLN 97 HG2 GLN 97 -5.148 12.783 11.999 777 HG3 GLN 97 HG3 GLN 97 -4.128 11.425 11.515 778 HE21 GLN 97 HE21 GLN 97 -4.805 10.161 13.260 779 HE22 GLN 97 HE22 GLN 97 -4.316 10.475 14.890 780 H LEU 98 H LEU 98 -5.301 12.439 9.394 781 HA LEU 98 HA LEU 98 -6.626 14.380 7.960 782 HB2 LEU 98 HB2 LEU 98 -8.807 13.112 8.623 783 HB3 LEU 98 HB3 LEU 98 -7.589 12.305 7.669 784 HG LEU 98 HG LEU 98 -6.865 11.014 9.613 785 HD11 LEU 98 HD11 LEU 98 -7.298 12.510 11.462 786 HD12 LEU 98 HD12 LEU 98 -8.132 10.980 11.725 787 HD13 LEU 98 HD13 LEU 98 -9.041 12.401 11.189 788 HD21 LEU 98 HD21 LEU 98 -9.862 10.845 9.169 789 HD22 LEU 98 HD22 LEU 98 -8.832 9.559 9.814 790 HD23 LEU 98 HD23 LEU 98 -8.614 10.107 8.154 791 HA PRO 99 HA PRO 99 -7.716 17.618 10.722 792 HB2 PRO 99 HB2 PRO 99 -9.934 18.688 9.486 793 HB3 PRO 99 HB3 PRO 99 -8.287 18.871 8.874 794 HG2 PRO 99 HG2 PRO 99 -10.405 16.894 8.027 795 HG3 PRO 99 HG3 PRO 99 -9.340 17.892 7.011 796 HD2 PRO 99 HD2 PRO 99 -8.782 15.283 7.495 797 HD3 PRO 99 HD3 PRO 99 -7.485 16.494 7.360 798 H VAL 100 H VAL 100 -10.340 15.394 9.915 799 HA VAL 100 HA VAL 100 -11.865 16.101 12.336 800 HB VAL 100 HB VAL 100 -12.653 14.411 9.924 801 HG11 VAL 100 HG11 VAL 100 -14.979 14.539 10.820 802 HG12 VAL 100 HG12 VAL 100 -14.364 15.341 12.268 803 HG13 VAL 100 HG13 VAL 100 -13.887 13.680 11.908 804 HG21 VAL 100 HG21 VAL 100 -12.382 16.784 9.311 805 HG22 VAL 100 HG22 VAL 100 -13.444 17.279 10.632 806 HG23 VAL 100 HG23 VAL 100 -14.095 16.354 9.274 Start of MODEL 15 1 H MET 1 H MET 1 5.305 -5.687 6.160 2 HA MET 1 HA MET 1 5.371 -4.857 3.330 3 HB2 MET 1 HB2 MET 1 6.494 -3.221 4.859 4 HB3 MET 1 HB3 MET 1 7.509 -4.512 5.479 5 HG2 MET 1 HG2 MET 1 7.523 -3.585 2.588 6 HG3 MET 1 HG3 MET 1 8.636 -3.008 3.828 7 HE1 MET 1 HE1 MET 1 10.839 -3.713 2.509 8 HE2 MET 1 HE2 MET 1 9.782 -4.131 1.160 9 HE3 MET 1 HE3 MET 1 11.014 -5.270 1.699 10 H LEU 2 H LEU 2 5.527 -6.663 2.212 11 HA LEU 2 HA LEU 2 7.607 -8.655 2.908 12 HB2 LEU 2 HB2 LEU 2 6.140 -10.438 1.937 13 HB3 LEU 2 HB3 LEU 2 5.510 -9.714 3.402 14 HG LEU 2 HG LEU 2 4.082 -8.229 1.698 15 HD11 LEU 2 HD11 LEU 2 3.354 -9.406 -0.301 16 HD12 LEU 2 HD12 LEU 2 4.523 -10.698 -0.002 17 HD13 LEU 2 HD13 LEU 2 5.082 -9.065 -0.374 18 HD21 LEU 2 HD21 LEU 2 3.133 -9.699 3.394 19 HD22 LEU 2 HD22 LEU 2 3.362 -11.097 2.339 20 HD23 LEU 2 HD23 LEU 2 2.228 -9.816 1.883 21 H LEU 3 H LEU 3 8.784 -9.478 1.150 22 HA LEU 3 HA LEU 3 9.136 -7.803 -1.094 23 HB2 LEU 3 HB2 LEU 3 10.083 -10.670 -0.737 24 HB3 LEU 3 HB3 LEU 3 10.806 -9.443 -1.773 25 HG LEU 3 HG LEU 3 10.832 -9.476 1.281 26 HD11 LEU 3 HD11 LEU 3 12.348 -11.130 0.312 27 HD12 LEU 3 HD12 LEU 3 13.247 -9.827 1.082 28 HD13 LEU 3 HD13 LEU 3 13.116 -9.884 -0.678 29 HD21 LEU 3 HD21 LEU 3 12.292 -7.487 1.162 30 HD22 LEU 3 HD22 LEU 3 10.694 -7.159 0.497 31 HD23 LEU 3 HD23 LEU 3 12.061 -7.416 -0.589 32 H HIS 4 H HIS 4 7.247 -7.688 -2.389 33 HA HIS 4 HA HIS 4 5.685 -9.580 -3.533 34 HB2 HIS 4 HB2 HIS 4 5.392 -7.220 -4.009 35 HB3 HIS 4 HB3 HIS 4 6.950 -7.129 -4.820 36 HD1 HIS 4 HD1 HIS 4 6.971 -7.523 -7.298 37 HD2 HIS 4 HD2 HIS 4 3.381 -8.708 -5.556 38 HE1 HIS 4 HE1 HIS 4 5.461 -8.129 -9.208 39 HE2 HIS 4 HE2 HIS 4 3.290 -8.818 -8.138 40 H SER 5 H SER 5 9.088 -9.132 -4.225 41 HA SER 5 HA SER 5 9.235 -11.681 -5.598 42 HB2 SER 5 HB2 SER 5 10.565 -10.638 -7.529 43 HB3 SER 5 HB3 SER 5 8.833 -10.315 -7.542 44 HG SER 5 HG SER 5 9.670 -8.337 -6.227 45 H VAL 6 H VAL 6 11.242 -12.635 -5.341 46 HA VAL 6 HA VAL 6 13.585 -11.112 -4.566 47 HB VAL 6 HB VAL 6 12.479 -11.579 -2.360 48 HG11 VAL 6 HG11 VAL 6 11.351 -13.699 -2.869 49 HG12 VAL 6 HG12 VAL 6 12.369 -13.856 -1.437 50 HG13 VAL 6 HG13 VAL 6 12.912 -14.518 -2.980 51 HG21 VAL 6 HG21 VAL 6 14.924 -11.295 -2.467 52 HG22 VAL 6 HG22 VAL 6 15.130 -13.023 -2.768 53 HG23 VAL 6 HG23 VAL 6 14.495 -12.467 -1.218 54 H GLU 7 H GLU 7 15.409 -12.078 -5.339 55 HA GLU 7 HA GLU 7 15.184 -14.577 -6.797 56 HB2 GLU 7 HB2 GLU 7 16.546 -12.699 -7.709 57 HB3 GLU 7 HB3 GLU 7 17.644 -12.828 -6.340 58 HG2 GLU 7 HG2 GLU 7 18.159 -15.189 -7.071 59 HG3 GLU 7 HG3 GLU 7 17.175 -14.901 -8.507 60 H THR 8 H THR 8 16.053 -16.498 -6.223 61 HA THR 8 HA THR 8 17.403 -16.826 -3.605 62 HB THR 8 HB THR 8 16.164 -19.027 -3.421 63 HG1 THR 8 HG1 THR 8 14.561 -18.016 -5.547 64 HG21 THR 8 HG21 THR 8 14.318 -16.618 -3.623 65 HG22 THR 8 HG22 THR 8 15.250 -17.091 -2.203 66 HG23 THR 8 HG23 THR 8 13.950 -18.126 -2.787 67 HA PRO 9 HA PRO 9 20.371 -19.332 -6.049 68 HB2 PRO 9 HB2 PRO 9 20.967 -21.393 -4.287 69 HB3 PRO 9 HB3 PRO 9 21.674 -19.776 -4.186 70 HG2 PRO 9 HG2 PRO 9 19.329 -20.912 -2.664 71 HG3 PRO 9 HG3 PRO 9 20.683 -19.936 -2.057 72 HD2 PRO 9 HD2 PRO 9 18.283 -18.810 -2.539 73 HD3 PRO 9 HD3 PRO 9 19.784 -17.927 -2.902 74 H ARG 10 H ARG 10 17.531 -20.730 -4.603 75 HA ARG 10 HA ARG 10 17.443 -23.091 -6.315 76 HB2 ARG 10 HB2 ARG 10 15.280 -23.552 -5.117 77 HB3 ARG 10 HB3 ARG 10 16.670 -23.378 -4.049 78 HG2 ARG 10 HG2 ARG 10 15.971 -21.053 -3.527 79 HG3 ARG 10 HG3 ARG 10 14.555 -21.251 -4.560 80 HD2 ARG 10 HD2 ARG 10 15.161 -22.860 -2.057 81 HD3 ARG 10 HD3 ARG 10 14.025 -21.512 -2.163 82 HE ARG 10 HE ARG 10 13.128 -23.209 -4.076 83 HH11 ARG 10 HH11 ARG 10 13.905 -23.732 -0.689 84 HH12 ARG 10 HH12 ARG 10 12.674 -24.929 -0.469 85 HH21 ARG 10 HH21 ARG 10 11.550 -24.776 -3.792 86 HH22 ARG 10 HH22 ARG 10 11.331 -25.529 -2.247 87 H GLY 11 H GLY 11 16.733 -19.899 -6.882 88 HA2 GLY 11 HA2 GLY 11 16.015 -19.782 -9.363 89 HA3 GLY 11 HA3 GLY 11 14.498 -20.435 -8.761 90 H GLU 12 H GLU 12 12.981 -18.875 -8.584 91 HA GLU 12 HA GLU 12 13.623 -16.456 -7.014 92 HB2 GLU 12 HB2 GLU 12 13.564 -15.764 -9.417 93 HB3 GLU 12 HB3 GLU 12 11.967 -16.487 -9.594 94 HG2 GLU 12 HG2 GLU 12 11.126 -14.854 -7.852 95 HG3 GLU 12 HG3 GLU 12 12.710 -14.079 -7.905 96 H ILE 13 H ILE 13 11.818 -15.682 -5.811 97 HA ILE 13 HA ILE 13 9.423 -17.386 -5.604 98 HB ILE 13 HB ILE 13 11.033 -16.423 -3.165 99 HG12 ILE 13 HG12 ILE 13 12.170 -18.356 -4.322 100 HG13 ILE 13 HG13 ILE 13 11.628 -18.757 -2.698 101 HG21 ILE 13 HG21 ILE 13 9.420 -17.783 -1.850 102 HG22 ILE 13 HG22 ILE 13 8.522 -18.148 -3.327 103 HG23 ILE 13 HG23 ILE 13 8.624 -16.484 -2.740 104 HD11 ILE 13 HD11 ILE 13 10.259 -19.533 -5.263 105 HD12 ILE 13 HD12 ILE 13 9.724 -19.966 -3.637 106 HD13 ILE 13 HD13 ILE 13 11.261 -20.571 -4.254 107 H LEU 14 H LEU 14 7.575 -16.188 -5.246 108 HA LEU 14 HA LEU 14 7.821 -13.231 -5.106 109 HB2 LEU 14 HB2 LEU 14 5.481 -14.905 -6.115 110 HB3 LEU 14 HB3 LEU 14 5.614 -13.152 -6.188 111 HG LEU 14 HG LEU 14 7.303 -15.146 -7.753 112 HD11 LEU 14 HD11 LEU 14 6.147 -14.287 -9.725 113 HD12 LEU 14 HD12 LEU 14 5.141 -13.253 -8.704 114 HD13 LEU 14 HD13 LEU 14 5.025 -15.012 -8.576 115 HD21 LEU 14 HD21 LEU 14 8.255 -13.210 -8.932 116 HD22 LEU 14 HD22 LEU 14 8.652 -13.185 -7.217 117 HD23 LEU 14 HD23 LEU 14 7.395 -12.116 -7.844 118 H ASN 15 H ASN 15 6.457 -12.090 -3.744 119 HA ASN 15 HA ASN 15 5.297 -11.524 -1.911 120 HB2 ASN 15 HB2 ASN 15 3.547 -13.852 -2.762 121 HB3 ASN 15 HB3 ASN 15 3.044 -12.546 -1.692 122 HD21 ASN 15 HD21 ASN 15 1.904 -13.386 -4.233 123 HD22 ASN 15 HD22 ASN 15 1.957 -12.009 -5.274 124 H VAL 16 H VAL 16 7.355 -12.498 -0.932 125 HA VAL 16 HA VAL 16 6.477 -14.084 1.402 126 HB VAL 16 HB VAL 16 8.760 -15.099 1.574 127 HG11 VAL 16 HG11 VAL 16 7.305 -15.785 -1.003 128 HG12 VAL 16 HG12 VAL 16 6.923 -16.404 0.604 129 HG13 VAL 16 HG13 VAL 16 8.455 -16.826 -0.156 130 HG21 VAL 16 HG21 VAL 16 9.228 -13.966 -1.219 131 HG22 VAL 16 HG22 VAL 16 10.294 -15.097 -0.378 132 HG23 VAL 16 HG23 VAL 16 10.061 -13.467 0.256 133 H SER 17 H SER 17 7.258 -13.386 3.360 134 HA SER 17 HA SER 17 8.373 -10.736 3.559 135 HB2 SER 17 HB2 SER 17 6.712 -11.617 5.180 136 HB3 SER 17 HB3 SER 17 7.859 -12.848 5.705 137 HG SER 17 HG SER 17 7.582 -10.390 6.585 138 H GLU 18 H GLU 18 10.420 -10.234 4.519 139 HA GLU 18 HA GLU 18 12.655 -11.612 3.540 140 HB2 GLU 18 HB2 GLU 18 12.475 -9.629 5.840 141 HB3 GLU 18 HB3 GLU 18 13.990 -10.152 5.100 142 HG2 GLU 18 HG2 GLU 18 13.273 -9.198 2.941 143 HG3 GLU 18 HG3 GLU 18 11.752 -8.677 3.674 144 H GLN 19 H GLN 19 10.885 -12.084 6.497 145 HA GLN 19 HA GLN 19 12.761 -13.519 8.046 146 HB2 GLN 19 HB2 GLN 19 9.729 -13.764 8.036 147 HB3 GLN 19 HB3 GLN 19 10.802 -14.310 9.326 148 HG2 GLN 19 HG2 GLN 19 11.501 -11.922 9.675 149 HG3 GLN 19 HG3 GLN 19 10.319 -11.441 8.459 150 HE21 GLN 19 HE21 GLN 19 10.751 -12.690 11.699 151 HE22 GLN 19 HE22 GLN 19 9.136 -12.403 12.237 152 H GLU 20 H GLU 20 10.045 -14.751 6.080 153 HA GLU 20 HA GLU 20 10.777 -17.503 6.272 154 HB2 GLU 20 HB2 GLU 20 8.452 -16.817 5.886 155 HB3 GLU 20 HB3 GLU 20 8.897 -16.068 4.355 156 HG2 GLU 20 HG2 GLU 20 9.449 -18.264 3.408 157 HG3 GLU 20 HG3 GLU 20 9.081 -19.039 4.950 158 H ALA 21 H ALA 21 11.200 -15.058 3.727 159 HA ALA 21 HA ALA 21 12.342 -16.365 1.665 160 HB1 ALA 21 HB1 ALA 21 13.377 -13.743 2.794 161 HB2 ALA 21 HB2 ALA 21 11.985 -13.923 1.727 162 HB3 ALA 21 HB3 ALA 21 13.600 -14.318 1.137 163 H ARG 22 H ARG 22 14.235 -15.219 4.512 164 HA ARG 22 HA ARG 22 16.650 -16.578 3.701 165 HB2 ARG 22 HB2 ARG 22 15.825 -15.129 6.241 166 HB3 ARG 22 HB3 ARG 22 17.372 -15.966 6.125 167 HG2 ARG 22 HG2 ARG 22 18.083 -14.550 4.302 168 HG3 ARG 22 HG3 ARG 22 16.491 -13.800 4.207 169 HD2 ARG 22 HD2 ARG 22 18.345 -13.585 6.598 170 HD3 ARG 22 HD3 ARG 22 18.207 -12.381 5.309 171 HE ARG 22 HE ARG 22 15.865 -13.154 6.932 172 HH11 ARG 22 HH11 ARG 22 18.039 -10.615 5.798 173 HH12 ARG 22 HH12 ARG 22 17.032 -9.338 6.398 174 HH21 ARG 22 HH21 ARG 22 14.595 -11.504 7.726 175 HH22 ARG 22 HH22 ARG 22 15.070 -9.852 7.517 176 H ASP 23 H ASP 23 13.867 -17.480 5.680 177 HA ASP 23 HA ASP 23 15.299 -19.401 7.291 178 HB2 ASP 23 HB2 ASP 23 13.326 -18.123 8.152 179 HB3 ASP 23 HB3 ASP 23 12.289 -18.974 7.009 180 H VAL 24 H VAL 24 12.584 -19.771 4.973 181 HA VAL 24 HA VAL 24 12.986 -22.646 4.801 182 HB VAL 24 HB VAL 24 10.955 -20.890 3.331 183 HG11 VAL 24 HG11 VAL 24 9.671 -22.983 3.018 184 HG12 VAL 24 HG12 VAL 24 10.950 -23.901 3.810 185 HG13 VAL 24 HG13 VAL 24 11.264 -23.103 2.267 186 HG21 VAL 24 HG21 VAL 24 10.675 -20.638 5.770 187 HG22 VAL 24 HG22 VAL 24 10.592 -22.392 5.957 188 HG23 VAL 24 HG23 VAL 24 9.326 -21.539 5.072 189 H PHE 25 H PHE 25 13.147 -19.823 2.616 190 HA PHE 25 HA PHE 25 13.793 -21.515 0.323 191 HB2 PHE 25 HB2 PHE 25 13.404 -18.493 0.488 192 HB3 PHE 25 HB3 PHE 25 13.542 -19.436 -1.000 193 HD1 PHE 25 HD1 PHE 25 11.832 -21.455 -1.217 194 HD2 PHE 25 HD2 PHE 25 11.210 -18.039 1.291 195 HE1 PHE 25 HE1 PHE 25 9.418 -21.905 -1.190 196 HE2 PHE 25 HE2 PHE 25 8.800 -18.505 1.308 197 HZ PHE 25 HZ PHE 25 7.902 -20.436 0.075 198 H GLY 26 H GLY 26 15.516 -19.624 2.627 199 HA2 GLY 26 HA2 GLY 26 17.708 -19.021 2.863 200 HA3 GLY 26 HA3 GLY 26 18.085 -20.338 1.757 201 H ALA 27 H ALA 27 16.328 -17.297 1.360 202 HA ALA 27 HA ALA 27 17.261 -16.815 -1.273 203 HB1 ALA 27 HB1 ALA 27 15.791 -14.932 0.614 204 HB2 ALA 27 HB2 ALA 27 15.036 -16.068 -0.509 205 HB3 ALA 27 HB3 ALA 27 15.985 -14.717 -1.131 206 H SER 28 H SER 28 18.797 -15.406 -2.031 207 HA SER 28 HA SER 28 21.006 -14.701 -0.439 208 HB2 SER 28 HB2 SER 28 21.120 -15.007 -2.917 209 HB3 SER 28 HB3 SER 28 20.200 -13.514 -3.137 210 HG SER 28 HG SER 28 22.821 -13.868 -2.120 211 H GLU 29 H GLU 29 21.466 -12.883 0.736 212 HA GLU 29 HA GLU 29 19.305 -11.047 1.344 213 HB2 GLU 29 HB2 GLU 29 22.148 -11.188 2.417 214 HB3 GLU 29 HB3 GLU 29 20.959 -9.992 2.938 215 HG2 GLU 29 HG2 GLU 29 19.451 -11.962 3.557 216 HG3 GLU 29 HG3 GLU 29 20.863 -12.994 3.324 217 H GLN 30 H GLN 30 22.140 -11.048 -0.690 218 HA GLN 30 HA GLN 30 22.305 -8.393 -1.540 219 HB2 GLN 30 HB2 GLN 30 22.360 -10.866 -3.330 220 HB3 GLN 30 HB3 GLN 30 23.039 -9.287 -3.719 221 HG2 GLN 30 HG2 GLN 30 24.717 -9.558 -1.935 222 HG3 GLN 30 HG3 GLN 30 24.020 -11.124 -1.511 223 HE21 GLN 30 HE21 GLN 30 24.258 -12.873 -2.994 224 HE22 GLN 30 HE22 GLN 30 25.486 -12.855 -4.208 225 H ALA 31 H ALA 31 20.120 -10.974 -2.582 226 HA ALA 31 HA ALA 31 18.630 -9.448 -4.483 227 HB1 ALA 31 HB1 ALA 31 17.102 -11.393 -4.510 228 HB2 ALA 31 HB2 ALA 31 17.924 -12.058 -3.095 229 HB3 ALA 31 HB3 ALA 31 18.791 -11.901 -4.624 230 H ILE 32 H ILE 32 17.473 -10.859 -1.370 231 HA ILE 32 HA ILE 32 15.412 -9.403 -0.643 232 HB ILE 32 HB ILE 32 17.762 -10.152 1.131 233 HG12 ILE 32 HG12 ILE 32 15.121 -11.589 0.660 234 HG13 ILE 32 HG13 ILE 32 16.647 -12.013 -0.099 235 HG21 ILE 32 HG21 ILE 32 16.250 -10.089 3.085 236 HG22 ILE 32 HG22 ILE 32 14.982 -9.393 2.078 237 HG23 ILE 32 HG23 ILE 32 16.465 -8.487 2.375 238 HD11 ILE 32 HD11 ILE 32 16.054 -12.154 2.853 239 HD12 ILE 32 HD12 ILE 32 17.578 -12.589 2.066 240 HD13 ILE 32 HD13 ILE 32 16.112 -13.499 1.713 241 H ALA 33 H ALA 33 18.625 -7.943 -0.830 242 HA ALA 33 HA ALA 33 17.919 -5.574 0.722 243 HB1 ALA 33 HB1 ALA 33 20.268 -6.335 0.687 244 HB2 ALA 33 HB2 ALA 33 20.131 -4.705 0.023 245 HB3 ALA 33 HB3 ALA 33 20.334 -6.085 -1.058 246 H ASP 34 H ASP 34 18.715 -6.251 -2.667 247 HA ASP 34 HA ASP 34 17.772 -3.985 -3.949 248 HB2 ASP 34 HB2 ASP 34 19.093 -5.888 -4.975 249 HB3 ASP 34 HB3 ASP 34 17.612 -6.841 -5.009 250 H ALA 35 H ALA 35 15.961 -6.721 -2.743 251 HA ALA 35 HA ALA 35 13.504 -6.184 -4.167 252 HB1 ALA 35 HB1 ALA 35 14.156 -8.504 -3.645 253 HB2 ALA 35 HB2 ALA 35 12.615 -8.104 -2.879 254 HB3 ALA 35 HB3 ALA 35 14.098 -8.147 -1.917 255 H ARG 36 H ARG 36 14.793 -5.804 -0.889 256 HA ARG 36 HA ARG 36 12.508 -4.742 0.394 257 HB2 ARG 36 HB2 ARG 36 14.604 -5.468 1.591 258 HB3 ARG 36 HB3 ARG 36 15.432 -4.060 0.936 259 HG2 ARG 36 HG2 ARG 36 13.768 -2.601 2.162 260 HG3 ARG 36 HG3 ARG 36 13.135 -4.067 2.925 261 HD2 ARG 36 HD2 ARG 36 15.920 -2.896 3.184 262 HD3 ARG 36 HD3 ARG 36 14.706 -3.067 4.454 263 HE ARG 36 HE ARG 36 15.033 -5.605 3.833 264 HH11 ARG 36 HH11 ARG 36 17.576 -3.194 4.232 265 HH12 ARG 36 HH12 ARG 36 18.760 -4.369 4.710 266 HH21 ARG 36 HH21 ARG 36 16.618 -7.111 4.417 267 HH22 ARG 36 HH22 ARG 36 18.226 -6.581 4.795 268 H LYS 37 H LYS 37 15.319 -3.144 -1.066 269 HA LYS 37 HA LYS 37 14.633 -0.512 -1.106 270 HB2 LYS 37 HB2 LYS 37 16.792 -1.335 -1.914 271 HB3 LYS 37 HB3 LYS 37 16.018 -2.114 -3.286 272 HG2 LYS 37 HG2 LYS 37 15.324 0.231 -4.076 273 HG3 LYS 37 HG3 LYS 37 16.368 0.864 -2.806 274 HD2 LYS 37 HD2 LYS 37 17.554 0.845 -4.938 275 HD3 LYS 37 HD3 LYS 37 18.308 -0.302 -3.825 276 HE2 LYS 37 HE2 LYS 37 17.092 -2.153 -4.941 277 HE3 LYS 37 HE3 LYS 37 16.368 -0.999 -6.062 278 HZ1 LYS 37 HZ1 LYS 37 19.272 -1.534 -5.782 279 HZ2 LYS 37 HZ2 LYS 37 18.558 -0.477 -6.892 280 HZ3 LYS 37 HZ3 LYS 37 18.273 -2.140 -7.000 281 H ALA 38 H ALA 38 13.417 -3.036 -3.342 282 HA ALA 38 HA ALA 38 12.366 -1.081 -5.223 283 HB1 ALA 38 HB1 ALA 38 13.437 -3.136 -6.082 284 HB2 ALA 38 HB2 ALA 38 11.744 -3.047 -6.578 285 HB3 ALA 38 HB3 ALA 38 12.224 -4.124 -5.262 286 H THR 39 H THR 39 11.172 -3.418 -2.822 287 HA THR 39 HA THR 39 8.377 -3.163 -3.341 288 HB THR 39 HB THR 39 9.724 -4.050 -0.739 289 HG1 THR 39 HG1 THR 39 10.210 -5.763 -1.854 290 HG21 THR 39 HG21 THR 39 6.906 -4.576 -1.767 291 HG22 THR 39 HG22 THR 39 7.318 -3.503 -0.428 292 HG23 THR 39 HG23 THR 39 7.603 -5.240 -0.293 293 H ILE 40 H ILE 40 10.579 -1.736 -0.917 294 HA ILE 40 HA ILE 40 8.739 0.009 0.328 295 HB ILE 40 HB ILE 40 11.782 0.060 0.154 296 HG12 ILE 40 HG12 ILE 40 10.762 -1.700 1.557 297 HG13 ILE 40 HG13 ILE 40 11.650 -0.553 2.551 298 HG21 ILE 40 HG21 ILE 40 11.152 2.423 0.340 299 HG22 ILE 40 HG22 ILE 40 11.836 1.861 1.865 300 HG23 ILE 40 HG23 ILE 40 10.090 2.063 1.705 301 HD11 ILE 40 HD11 ILE 40 9.592 -1.184 3.621 302 HD12 ILE 40 HD12 ILE 40 8.652 -0.700 2.214 303 HD13 ILE 40 HD13 ILE 40 9.502 0.519 3.170 304 H LEU 41 H LEU 41 11.019 0.547 -2.375 305 HA LEU 41 HA LEU 41 10.493 3.215 -2.982 306 HB2 LEU 41 HB2 LEU 41 12.284 2.307 -4.157 307 HB3 LEU 41 HB3 LEU 41 11.439 0.841 -4.565 308 HG LEU 41 HG LEU 41 10.466 3.321 -5.968 309 HD11 LEU 41 HD11 LEU 41 12.247 3.291 -7.641 310 HD12 LEU 41 HD12 LEU 41 13.115 2.053 -6.731 311 HD13 LEU 41 HD13 LEU 41 12.905 3.666 -6.048 312 HD21 LEU 41 HD21 LEU 41 9.455 1.130 -6.464 313 HD22 LEU 41 HD22 LEU 41 11.032 0.478 -6.918 314 HD23 LEU 41 HD23 LEU 41 10.286 1.757 -7.890 315 H GLN 42 H GLN 42 8.560 0.338 -3.743 316 HA GLN 42 HA GLN 42 6.756 1.635 -5.571 317 HB2 GLN 42 HB2 GLN 42 7.249 -0.768 -5.749 318 HB3 GLN 42 HB3 GLN 42 6.717 -1.037 -4.094 319 HG2 GLN 42 HG2 GLN 42 4.396 -0.275 -4.865 320 HG3 GLN 42 HG3 GLN 42 5.020 -0.353 -6.511 321 HE21 GLN 42 HE21 GLN 42 4.144 -2.212 -3.678 322 HE22 GLN 42 HE22 GLN 42 4.090 -3.748 -4.468 323 H THR 43 H THR 43 6.900 0.716 -2.161 324 HA THR 43 HA THR 43 4.213 1.179 -1.397 325 HB THR 43 HB THR 43 6.747 1.112 0.323 326 HG1 THR 43 HG1 THR 43 5.624 -0.792 -1.079 327 HG21 THR 43 HG21 THR 43 4.857 2.091 1.588 328 HG22 THR 43 HG22 THR 43 5.250 0.478 2.193 329 HG23 THR 43 HG23 THR 43 3.841 0.720 1.154 330 H LEU 44 H LEU 44 7.079 3.287 -1.578 331 HA LEU 44 HA LEU 44 6.177 5.462 -0.008 332 HB2 LEU 44 HB2 LEU 44 7.954 5.735 -2.471 333 HB3 LEU 44 HB3 LEU 44 7.869 6.827 -1.097 334 HG LEU 44 HG LEU 44 9.140 4.077 -1.218 335 HD11 LEU 44 HD11 LEU 44 11.192 5.211 -0.608 336 HD12 LEU 44 HD12 LEU 44 10.347 6.766 -0.579 337 HD13 LEU 44 HD13 LEU 44 10.504 5.865 -2.095 338 HD21 LEU 44 HD21 LEU 44 8.734 5.707 1.302 339 HD22 LEU 44 HD22 LEU 44 9.699 4.236 1.157 340 HD23 LEU 44 HD23 LEU 44 7.959 4.168 0.907 341 H ARG 45 H ARG 45 5.594 4.538 -3.332 342 HA ARG 45 HA ARG 45 4.105 6.931 -4.036 343 HB2 ARG 45 HB2 ARG 45 5.546 5.672 -5.674 344 HB3 ARG 45 HB3 ARG 45 4.420 4.322 -5.576 345 HG2 ARG 45 HG2 ARG 45 2.610 5.863 -6.421 346 HG3 ARG 45 HG3 ARG 45 3.842 7.108 -6.642 347 HD2 ARG 45 HD2 ARG 45 5.058 5.567 -8.186 348 HD3 ARG 45 HD3 ARG 45 3.731 4.410 -8.028 349 HE ARG 45 HE ARG 45 2.343 6.449 -8.876 350 HH11 ARG 45 HH11 ARG 45 5.543 5.509 -9.996 351 HH12 ARG 45 HH12 ARG 45 5.308 6.172 -11.578 352 HH21 ARG 45 HH21 ARG 45 2.062 7.313 -10.935 353 HH22 ARG 45 HH22 ARG 45 3.330 7.193 -12.109 354 H ILE 46 H ILE 46 3.423 3.557 -3.101 355 HA ILE 46 HA ILE 46 0.680 3.556 -3.850 356 HB ILE 46 HB ILE 46 2.264 1.764 -1.974 357 HG12 ILE 46 HG12 ILE 46 1.059 1.372 -4.750 358 HG13 ILE 46 HG13 ILE 46 2.768 1.461 -4.345 359 HG21 ILE 46 HG21 ILE 46 0.300 0.242 -1.844 360 HG22 ILE 46 HG22 ILE 46 -0.685 1.457 -2.664 361 HG23 ILE 46 HG23 ILE 46 -0.017 1.795 -1.064 362 HD11 ILE 46 HD11 ILE 46 0.874 -0.771 -3.597 363 HD12 ILE 46 HD12 ILE 46 2.577 -0.676 -3.145 364 HD13 ILE 46 HD13 ILE 46 2.123 -0.804 -4.840 365 H GLU 47 H GLU 47 2.238 3.996 -0.650 366 HA GLU 47 HA GLU 47 0.027 4.189 0.984 367 HB2 GLU 47 HB2 GLU 47 2.658 5.689 1.238 368 HB3 GLU 47 HB3 GLU 47 1.457 5.594 2.526 369 HG2 GLU 47 HG2 GLU 47 3.059 3.321 1.332 370 HG3 GLU 47 HG3 GLU 47 3.235 4.009 2.942 371 H ARG 48 H ARG 48 1.657 6.877 -0.704 372 HA ARG 48 HA ARG 48 -0.008 8.946 0.246 373 HB2 ARG 48 HB2 ARG 48 0.952 10.373 -1.477 374 HB3 ARG 48 HB3 ARG 48 2.219 9.382 -0.766 375 HG2 ARG 48 HG2 ARG 48 2.284 7.951 -2.719 376 HG3 ARG 48 HG3 ARG 48 0.868 8.743 -3.402 377 HD2 ARG 48 HD2 ARG 48 2.259 10.885 -3.478 378 HD3 ARG 48 HD3 ARG 48 3.663 9.873 -3.106 379 HE ARG 48 HE ARG 48 2.252 8.737 -5.275 380 HH11 ARG 48 HH11 ARG 48 4.314 11.502 -4.596 381 HH12 ARG 48 HH12 ARG 48 4.761 11.724 -6.255 382 HH21 ARG 48 HH21 ARG 48 2.855 9.018 -7.426 383 HH22 ARG 48 HH22 ARG 48 3.956 10.281 -7.863 384 H ASP 49 H ASP 49 -0.170 7.015 -2.781 385 HA ASP 49 HA ASP 49 -2.319 8.455 -3.968 386 HB2 ASP 49 HB2 ASP 49 -0.946 5.815 -4.526 387 HB3 ASP 49 HB3 ASP 49 -2.461 6.164 -5.350 388 H GLU 50 H GLU 50 -2.179 5.644 -1.840 389 HA GLU 50 HA GLU 50 -4.831 4.705 -2.012 390 HB2 GLU 50 HB2 GLU 50 -2.838 4.603 0.291 391 HB3 GLU 50 HB3 GLU 50 -4.388 3.764 0.329 392 HG2 GLU 50 HG2 GLU 50 -2.139 3.273 -1.631 393 HG3 GLU 50 HG3 GLU 50 -2.544 2.268 -0.250 394 H ARG 51 H ARG 51 -3.338 6.900 0.375 395 HA ARG 51 HA ARG 51 -5.806 7.348 1.766 396 HB2 ARG 51 HB2 ARG 51 -4.487 8.983 3.113 397 HB3 ARG 51 HB3 ARG 51 -3.746 7.387 3.006 398 HG2 ARG 51 HG2 ARG 51 -2.294 8.367 1.111 399 HG3 ARG 51 HG3 ARG 51 -2.878 9.949 1.640 400 HD2 ARG 51 HD2 ARG 51 -1.384 7.940 3.359 401 HD3 ARG 51 HD3 ARG 51 -0.687 9.388 2.624 402 HE ARG 51 HE ARG 51 -2.489 10.595 4.022 403 HH11 ARG 51 HH11 ARG 51 -0.888 7.658 5.093 404 HH12 ARG 51 HH12 ARG 51 -0.896 8.127 6.762 405 HH21 ARG 51 HH21 ARG 51 -2.483 11.194 6.193 406 HH22 ARG 51 HH22 ARG 51 -1.809 10.132 7.384 407 H LEU 52 H LEU 52 -4.232 9.023 -0.905 408 HA LEU 52 HA LEU 52 -5.764 11.442 -0.791 409 HB2 LEU 52 HB2 LEU 52 -4.372 10.107 -3.152 410 HB3 LEU 52 HB3 LEU 52 -5.087 11.712 -3.214 411 HG LEU 52 HG LEU 52 -2.741 10.903 -1.454 412 HD11 LEU 52 HD11 LEU 52 -1.350 12.270 -2.915 413 HD12 LEU 52 HD12 LEU 52 -2.734 12.588 -3.966 414 HD13 LEU 52 HD13 LEU 52 -2.103 10.947 -3.802 415 HD21 LEU 52 HD21 LEU 52 -4.077 12.651 -0.398 416 HD22 LEU 52 HD22 LEU 52 -3.941 13.648 -1.848 417 HD23 LEU 52 HD23 LEU 52 -2.502 13.258 -0.903 418 H ARG 53 H ARG 53 -6.184 8.343 -2.565 419 HA ARG 53 HA ARG 53 -8.704 9.158 -3.760 420 HB2 ARG 53 HB2 ARG 53 -8.768 6.966 -4.803 421 HB3 ARG 53 HB3 ARG 53 -7.137 7.607 -4.937 422 HG2 ARG 53 HG2 ARG 53 -6.436 6.167 -3.036 423 HG3 ARG 53 HG3 ARG 53 -8.062 5.483 -2.973 424 HD2 ARG 53 HD2 ARG 53 -6.458 4.025 -4.179 425 HD3 ARG 53 HD3 ARG 53 -7.785 4.552 -5.219 426 HE ARG 53 HE ARG 53 -6.210 6.259 -6.118 427 HH11 ARG 53 HH11 ARG 53 -4.781 3.446 -4.557 428 HH12 ARG 53 HH12 ARG 53 -3.377 3.475 -5.567 429 HH21 ARG 53 HH21 ARG 53 -4.371 6.276 -7.415 430 HH22 ARG 53 HH22 ARG 53 -3.140 5.072 -7.193 431 H ALA 54 H ALA 54 -7.743 7.609 -0.818 432 HA ALA 54 HA ALA 54 -10.226 6.312 -0.170 433 HB1 ALA 54 HB1 ALA 54 -9.278 6.063 2.092 434 HB2 ALA 54 HB2 ALA 54 -7.956 7.162 1.677 435 HB3 ALA 54 HB3 ALA 54 -8.100 5.601 0.865 436 H CYS 55 H CYS 55 -9.007 9.517 0.016 437 HA CYS 55 HA CYS 55 -11.228 10.470 1.734 438 HB2 CYS 55 HB2 CYS 55 -8.552 11.742 1.038 439 HB3 CYS 55 HB3 CYS 55 -9.763 12.425 2.128 440 HG CYS 55 HG CYS 55 -8.086 9.479 2.648 441 H ASP 56 H ASP 56 -10.906 9.917 -1.358 442 HA ASP 56 HA ASP 56 -11.420 12.448 -2.629 443 HB2 ASP 56 HB2 ASP 56 -10.365 10.587 -3.866 444 HB3 ASP 56 HB3 ASP 56 -11.785 9.580 -3.612 445 H TRP 57 H TRP 57 -13.349 10.141 -0.944 446 HA TRP 57 HA TRP 57 -15.881 10.438 -2.112 447 HB2 TRP 57 HB2 TRP 57 -16.787 9.446 -0.093 448 HB3 TRP 57 HB3 TRP 57 -15.254 8.656 -0.442 449 HD1 TRP 57 HD1 TRP 57 -13.109 9.493 1.179 450 HE1 TRP 57 HE1 TRP 57 -13.121 10.127 3.665 451 HE3 TRP 57 HE3 TRP 57 -18.092 10.510 1.747 452 HZ2 TRP 57 HZ2 TRP 57 -14.967 10.965 5.621 453 HZ3 TRP 57 HZ3 TRP 57 -18.896 11.245 3.955 454 HH2 TRP 57 HH2 TRP 57 -17.369 11.474 5.850 455 H THR 58 H THR 58 -14.105 12.605 -0.046 456 HA THR 58 HA THR 58 -16.393 14.192 0.807 457 HB THR 58 HB THR 58 -14.670 15.666 1.827 458 HG1 THR 58 HG1 THR 58 -12.550 13.991 1.277 459 HG21 THR 58 HG21 THR 58 -13.751 14.044 3.416 460 HG22 THR 58 HG22 THR 58 -14.147 12.721 2.326 461 HG23 THR 58 HG23 THR 58 -15.441 13.667 3.065 462 H GLN 59 H GLN 59 -14.126 14.129 -1.785 463 HA GLN 59 HA GLN 59 -14.279 16.947 -2.481 464 HB2 GLN 59 HB2 GLN 59 -12.828 14.641 -3.867 465 HB3 GLN 59 HB3 GLN 59 -12.570 16.363 -4.160 466 HG2 GLN 59 HG2 GLN 59 -12.024 14.916 -1.547 467 HG3 GLN 59 HG3 GLN 59 -10.803 15.401 -2.721 468 HE21 GLN 59 HE21 GLN 59 -11.313 16.157 0.165 469 HE22 GLN 59 HE22 GLN 59 -11.342 17.887 0.167 470 H VAL 60 H VAL 60 -15.711 13.923 -3.540 471 HA VAL 60 HA VAL 60 -16.755 14.823 -6.037 472 HB VAL 60 HB VAL 60 -16.544 12.393 -5.361 473 HG11 VAL 60 HG11 VAL 60 -19.046 12.876 -3.693 474 HG12 VAL 60 HG12 VAL 60 -17.436 12.533 -3.060 475 HG13 VAL 60 HG13 VAL 60 -18.292 11.308 -4.001 476 HG21 VAL 60 HG21 VAL 60 -19.305 13.239 -6.314 477 HG22 VAL 60 HG22 VAL 60 -18.608 11.627 -6.504 478 HG23 VAL 60 HG23 VAL 60 -17.875 13.006 -7.326 479 H GLN 61 H GLN 61 -18.879 15.566 -6.544 480 HA GLN 61 HA GLN 61 -19.964 17.439 -4.655 481 HB2 GLN 61 HB2 GLN 61 -21.513 18.068 -6.493 482 HB3 GLN 61 HB3 GLN 61 -19.833 18.032 -7.005 483 HG2 GLN 61 HG2 GLN 61 -20.225 15.789 -8.035 484 HG3 GLN 61 HG3 GLN 61 -21.928 15.923 -7.601 485 HE21 GLN 61 HE21 GLN 61 -23.244 17.407 -8.748 486 HE22 GLN 61 HE22 GLN 61 -22.739 18.098 -10.248 487 H ASP 62 H ASP 62 -20.627 14.154 -5.163 488 HA ASP 62 HA ASP 62 -23.408 14.016 -4.690 489 HB2 ASP 62 HB2 ASP 62 -22.213 12.087 -5.588 490 HB3 ASP 62 HB3 ASP 62 -21.201 11.980 -4.150 491 H VAL 63 H VAL 63 -20.641 13.734 -2.447 492 HA VAL 63 HA VAL 63 -22.119 13.080 -0.137 493 HB VAL 63 HB VAL 63 -19.660 12.651 -0.434 494 HG11 VAL 63 HG11 VAL 63 -19.329 15.620 0.135 495 HG12 VAL 63 HG12 VAL 63 -18.985 14.814 -1.395 496 HG13 VAL 63 HG13 VAL 63 -18.022 14.439 0.032 497 HG21 VAL 63 HG21 VAL 63 -20.674 12.474 1.801 498 HG22 VAL 63 HG22 VAL 63 -20.370 14.188 2.090 499 HG23 VAL 63 HG23 VAL 63 -19.014 13.070 1.922 500 H VAL 64 H VAL 64 -22.893 14.296 1.547 501 HA VAL 64 HA VAL 64 -23.380 17.147 1.021 502 HB VAL 64 HB VAL 64 -24.766 15.330 3.041 503 HG11 VAL 64 HG11 VAL 64 -24.949 17.709 3.637 504 HG12 VAL 64 HG12 VAL 64 -26.518 17.105 3.101 505 HG13 VAL 64 HG13 VAL 64 -25.539 18.096 2.016 506 HG21 VAL 64 HG21 VAL 64 -25.715 16.097 0.243 507 HG22 VAL 64 HG22 VAL 64 -26.652 15.182 1.429 508 HG23 VAL 64 HG23 VAL 64 -25.174 14.491 0.752 509 H LEU 65 H LEU 65 -21.352 17.897 1.668 510 HA LEU 65 HA LEU 65 -20.967 18.107 4.605 511 HB2 LEU 65 HB2 LEU 65 -18.785 18.067 2.465 512 HB3 LEU 65 HB3 LEU 65 -18.523 18.312 4.183 513 HG LEU 65 HG LEU 65 -19.580 15.731 2.963 514 HD11 LEU 65 HD11 LEU 65 -17.307 16.111 2.205 515 HD12 LEU 65 HD12 LEU 65 -17.355 14.786 3.363 516 HD13 LEU 65 HD13 LEU 65 -16.756 16.371 3.868 517 HD21 LEU 65 HD21 LEU 65 -20.287 16.019 5.279 518 HD22 LEU 65 HD22 LEU 65 -18.624 16.334 5.781 519 HD23 LEU 65 HD23 LEU 65 -19.080 14.739 5.168 520 H THR 66 H THR 66 -20.132 20.250 5.238 521 HA THR 66 HA THR 66 -21.148 22.399 3.615 522 HB THR 66 HB THR 66 -20.326 23.903 5.383 523 HG1 THR 66 HG1 THR 66 -19.131 22.988 7.150 524 HG21 THR 66 HG21 THR 66 -21.547 22.990 7.342 525 HG22 THR 66 HG22 THR 66 -21.567 21.390 6.602 526 HG23 THR 66 HG23 THR 66 -22.460 22.713 5.854 527 H ALA 67 H ALA 67 -19.792 24.273 2.960 528 HA ALA 67 HA ALA 67 -17.681 23.753 1.244 529 HB1 ALA 67 HB1 ALA 67 -17.250 26.180 1.309 530 HB2 ALA 67 HB2 ALA 67 -18.233 26.319 2.770 531 HB3 ALA 67 HB3 ALA 67 -18.983 25.844 1.245 532 H ASP 68 H ASP 68 -17.563 24.919 4.580 533 HA ASP 68 HA ASP 68 -14.891 25.040 5.185 534 HB2 ASP 68 HB2 ASP 68 -16.586 25.671 6.816 535 HB3 ASP 68 HB3 ASP 68 -17.187 24.021 6.900 536 H GLN 69 H GLN 69 -16.916 22.094 5.494 537 HA GLN 69 HA GLN 69 -14.839 20.431 6.525 538 HB2 GLN 69 HB2 GLN 69 -17.409 19.548 5.149 539 HB3 GLN 69 HB3 GLN 69 -16.349 18.505 6.103 540 HG2 GLN 69 HG2 GLN 69 -16.779 20.016 8.071 541 HG3 GLN 69 HG3 GLN 69 -17.986 20.849 7.090 542 HE21 GLN 69 HE21 GLN 69 -19.737 20.280 8.352 543 HE22 GLN 69 HE22 GLN 69 -20.302 18.657 8.529 544 H LYS 70 H LYS 70 -16.244 20.675 3.288 545 HA LYS 70 HA LYS 70 -14.614 18.835 1.919 546 HB2 LYS 70 HB2 LYS 70 -16.309 21.198 1.057 547 HB3 LYS 70 HB3 LYS 70 -15.371 20.285 -0.128 548 HG2 LYS 70 HG2 LYS 70 -16.607 18.311 0.199 549 HG3 LYS 70 HG3 LYS 70 -17.248 18.846 1.752 550 HD2 LYS 70 HD2 LYS 70 -18.792 20.355 0.712 551 HD3 LYS 70 HD3 LYS 70 -18.001 20.202 -0.866 552 HE2 LYS 70 HE2 LYS 70 -19.390 17.900 0.556 553 HE3 LYS 70 HE3 LYS 70 -20.191 18.954 -0.604 554 HZ1 LYS 70 HZ1 LYS 70 -18.639 18.262 -2.284 555 HZ2 LYS 70 HZ2 LYS 70 -19.411 16.919 -1.622 556 HZ3 LYS 70 HZ3 LYS 70 -17.816 17.275 -1.188 557 H ALA 71 H ALA 71 -13.861 21.999 3.072 558 HA ALA 71 HA ALA 71 -11.767 22.557 1.075 559 HB1 ALA 71 HB1 ALA 71 -11.505 24.724 2.243 560 HB2 ALA 71 HB2 ALA 71 -12.702 24.226 3.442 561 HB3 ALA 71 HB3 ALA 71 -13.184 24.459 1.762 562 H THR 72 H THR 72 -12.147 22.272 4.554 563 HA THR 72 HA THR 72 -9.622 21.919 5.556 564 HB THR 72 HB THR 72 -12.051 20.260 6.401 565 HG1 THR 72 HG1 THR 72 -12.843 22.120 7.011 566 HG21 THR 72 HG21 THR 72 -9.631 21.144 8.013 567 HG22 THR 72 HG22 THR 72 -9.934 19.501 7.446 568 HG23 THR 72 HG23 THR 72 -11.014 20.239 8.633 569 H TRP 73 H TRP 73 -11.661 19.425 4.075 570 HA TRP 73 HA TRP 73 -9.771 17.292 4.112 571 HB2 TRP 73 HB2 TRP 73 -12.417 17.772 2.743 572 HB3 TRP 73 HB3 TRP 73 -11.428 16.423 2.208 573 HD1 TRP 73 HD1 TRP 73 -13.876 17.348 4.929 574 HE1 TRP 73 HE1 TRP 73 -14.142 15.348 6.510 575 HE3 TRP 73 HE3 TRP 73 -9.929 14.517 3.332 576 HZ2 TRP 73 HZ2 TRP 73 -12.861 12.896 7.016 577 HZ3 TRP 73 HZ3 TRP 73 -9.526 12.350 4.425 578 HH2 TRP 73 HH2 TRP 73 -10.961 11.559 6.229 579 H ALA 74 H ALA 74 -10.573 19.801 1.741 580 HA ALA 74 HA ALA 74 -9.035 18.765 -0.435 581 HB1 ALA 74 HB1 ALA 74 -9.367 20.969 -1.471 582 HB2 ALA 74 HB2 ALA 74 -9.954 21.614 0.065 583 HB3 ALA 74 HB3 ALA 74 -10.875 20.368 -0.777 584 H LYS 75 H LYS 75 -8.249 20.658 2.392 585 HA LYS 75 HA LYS 75 -5.675 21.602 1.389 586 HB2 LYS 75 HB2 LYS 75 -7.000 21.817 4.128 587 HB3 LYS 75 HB3 LYS 75 -5.418 22.503 3.744 588 HG2 LYS 75 HG2 LYS 75 -6.406 23.997 2.101 589 HG3 LYS 75 HG3 LYS 75 -7.987 23.236 2.314 590 HD2 LYS 75 HD2 LYS 75 -8.009 24.012 4.691 591 HD3 LYS 75 HD3 LYS 75 -6.472 24.846 4.411 592 HE2 LYS 75 HE2 LYS 75 -7.527 26.302 2.752 593 HE3 LYS 75 HE3 LYS 75 -9.049 25.412 2.890 594 HZ1 LYS 75 HZ1 LYS 75 -9.153 26.099 5.223 595 HZ2 LYS 75 HZ2 LYS 75 -9.157 27.412 4.159 596 HZ3 LYS 75 HZ3 LYS 75 -7.754 27.025 5.014 597 H TYR 76 H TYR 76 -7.010 19.050 3.436 598 HA TYR 76 HA TYR 76 -4.627 17.858 4.360 599 HB2 TYR 76 HB2 TYR 76 -6.607 16.966 5.311 600 HB3 TYR 76 HB3 TYR 76 -7.425 16.839 3.759 601 HD1 TYR 76 HD1 TYR 76 -4.524 15.339 5.648 602 HD2 TYR 76 HD2 TYR 76 -7.591 14.687 2.740 603 HE1 TYR 76 HE1 TYR 76 -3.903 12.972 5.490 604 HE2 TYR 76 HE2 TYR 76 -6.955 12.322 2.602 605 HH TYR 76 HH TYR 76 -5.220 10.839 3.068 606 H ARG 77 H ARG 77 -6.521 17.190 1.411 607 HA ARG 77 HA ARG 77 -4.812 15.184 0.357 608 HB2 ARG 77 HB2 ARG 77 -7.241 15.460 -0.252 609 HB3 ARG 77 HB3 ARG 77 -6.830 16.906 -1.168 610 HG2 ARG 77 HG2 ARG 77 -5.556 15.627 -2.773 611 HG3 ARG 77 HG3 ARG 77 -5.634 14.183 -1.770 612 HD2 ARG 77 HD2 ARG 77 -7.160 13.845 -3.559 613 HD3 ARG 77 HD3 ARG 77 -8.136 14.181 -2.128 614 HE ARG 77 HE ARG 77 -7.874 16.627 -3.297 615 HH11 ARG 77 HH11 ARG 77 -9.003 13.506 -4.502 616 HH12 ARG 77 HH12 ARG 77 -10.060 14.208 -5.680 617 HH21 ARG 77 HH21 ARG 77 -9.284 17.530 -4.834 618 HH22 ARG 77 HH22 ARG 77 -10.236 16.494 -5.850 619 H GLN 78 H GLN 78 -5.226 18.647 -0.510 620 HA GLN 78 HA GLN 78 -3.195 18.788 -2.425 621 HB2 GLN 78 HB2 GLN 78 -5.016 20.468 -2.150 622 HB3 GLN 78 HB3 GLN 78 -4.256 21.043 -0.673 623 HG2 GLN 78 HG2 GLN 78 -3.776 22.531 -2.563 624 HG3 GLN 78 HG3 GLN 78 -2.298 21.802 -1.934 625 HE21 GLN 78 HE21 GLN 78 -4.628 20.200 -4.087 626 HE22 GLN 78 HE22 GLN 78 -3.563 20.074 -5.435 627 H ALA 79 H ALA 79 -2.972 19.181 1.119 628 HA ALA 79 HA ALA 79 -0.366 20.326 1.245 629 HB1 ALA 79 HB1 ALA 79 -1.868 20.253 3.198 630 HB2 ALA 79 HB2 ALA 79 -0.306 19.531 3.577 631 HB3 ALA 79 HB3 ALA 79 -1.708 18.497 3.272 632 H LEU 80 H LEU 80 -1.491 16.968 1.206 633 HA LEU 80 HA LEU 80 1.013 15.698 1.448 634 HB2 LEU 80 HB2 LEU 80 -1.404 14.842 1.816 635 HB3 LEU 80 HB3 LEU 80 -1.461 14.578 0.083 636 HG LEU 80 HG LEU 80 0.632 13.278 1.864 637 HD11 LEU 80 HD11 LEU 80 -2.053 12.116 1.092 638 HD12 LEU 80 HD12 LEU 80 -1.555 12.629 2.710 639 HD13 LEU 80 HD13 LEU 80 -0.746 11.273 1.932 640 HD21 LEU 80 HD21 LEU 80 1.199 13.233 -0.519 641 HD22 LEU 80 HD22 LEU 80 -0.360 12.495 -0.898 642 HD23 LEU 80 HD23 LEU 80 0.828 11.613 0.066 643 H ARG 81 H ARG 81 -0.930 16.690 -1.365 644 HA ARG 81 HA ARG 81 0.837 15.628 -3.370 645 HB2 ARG 81 HB2 ARG 81 -1.364 17.726 -3.608 646 HB3 ARG 81 HB3 ARG 81 -0.564 16.934 -4.969 647 HG2 ARG 81 HG2 ARG 81 -1.426 14.726 -4.105 648 HG3 ARG 81 HG3 ARG 81 -2.329 15.614 -2.876 649 HD2 ARG 81 HD2 ARG 81 -3.843 15.103 -4.672 650 HD3 ARG 81 HD3 ARG 81 -3.514 16.833 -4.743 651 HE ARG 81 HE ARG 81 -1.685 15.592 -6.430 652 HH11 ARG 81 HH11 ARG 81 -5.180 16.046 -6.341 653 HH12 ARG 81 HH12 ARG 81 -5.348 15.912 -8.063 654 HH21 ARG 81 HH21 ARG 81 -1.918 15.404 -8.627 655 HH22 ARG 81 HH22 ARG 81 -3.485 15.521 -9.368 656 H ASP 82 H ASP 82 0.753 18.542 -1.525 657 HA ASP 82 HA ASP 82 2.383 20.253 -3.129 658 HB2 ASP 82 HB2 ASP 82 0.882 21.050 -1.290 659 HB3 ASP 82 HB3 ASP 82 1.909 20.253 -0.113 660 H LEU 83 H LEU 83 3.065 17.625 -0.908 661 HA LEU 83 HA LEU 83 5.789 18.101 -0.325 662 HB2 LEU 83 HB2 LEU 83 4.203 15.507 -0.456 663 HB3 LEU 83 HB3 LEU 83 5.870 15.573 0.095 664 HG LEU 83 HG LEU 83 3.528 16.988 1.433 665 HD11 LEU 83 HD11 LEU 83 3.781 15.351 3.239 666 HD12 LEU 83 HD12 LEU 83 5.033 14.506 2.324 667 HD13 LEU 83 HD13 LEU 83 3.375 14.564 1.716 668 HD21 LEU 83 HD21 LEU 83 6.428 16.768 2.309 669 HD22 LEU 83 HD22 LEU 83 5.116 17.485 3.249 670 HD23 LEU 83 HD23 LEU 83 5.613 18.227 1.733 671 HA PRO 84 HA PRO 84 7.603 17.401 -4.387 672 HB2 PRO 84 HB2 PRO 84 10.226 16.972 -3.619 673 HB3 PRO 84 HB3 PRO 84 9.472 18.570 -3.681 674 HG2 PRO 84 HG2 PRO 84 9.857 16.751 -1.308 675 HG3 PRO 84 HG3 PRO 84 10.154 18.498 -1.433 676 HD2 PRO 84 HD2 PRO 84 7.913 17.549 -0.276 677 HD3 PRO 84 HD3 PRO 84 7.874 19.031 -1.261 678 H GLU 85 H GLU 85 8.689 15.735 -5.646 679 HA GLU 85 HA GLU 85 7.880 13.039 -4.726 680 HB2 GLU 85 HB2 GLU 85 7.368 12.493 -7.007 681 HB3 GLU 85 HB3 GLU 85 6.681 14.083 -6.717 682 HG2 GLU 85 HG2 GLU 85 9.257 13.511 -8.220 683 HG3 GLU 85 HG3 GLU 85 7.707 13.895 -8.955 684 H THR 86 H THR 86 9.080 11.230 -5.835 685 HA THR 86 HA THR 86 10.887 9.966 -6.274 686 HB THR 86 HB THR 86 12.550 10.829 -7.942 687 HG1 THR 86 HG1 THR 86 12.122 13.165 -7.014 688 HG21 THR 86 HG21 THR 86 10.409 9.925 -8.765 689 HG22 THR 86 HG22 THR 86 10.976 11.250 -9.786 690 HG23 THR 86 HG23 THR 86 9.671 11.526 -8.629 691 H VAL 87 H VAL 87 11.138 11.946 -3.853 692 HA VAL 87 HA VAL 87 14.039 12.270 -3.634 693 HB VAL 87 HB VAL 87 12.673 14.247 -3.151 694 HG11 VAL 87 HG11 VAL 87 10.597 13.213 -2.346 695 HG12 VAL 87 HG12 VAL 87 11.169 14.429 -1.202 696 HG13 VAL 87 HG13 VAL 87 11.402 12.712 -0.855 697 HG21 VAL 87 HG21 VAL 87 14.024 13.215 -0.627 698 HG22 VAL 87 HG22 VAL 87 13.659 14.905 -0.982 699 HG23 VAL 87 HG23 VAL 87 14.823 14.028 -1.976 700 H THR 88 H THR 88 15.271 10.974 -2.450 701 HA THR 88 HA THR 88 14.096 8.681 -1.089 702 HB THR 88 HB THR 88 16.489 7.850 -1.055 703 HG1 THR 88 HG1 THR 88 17.558 9.865 -1.093 704 HG21 THR 88 HG21 THR 88 16.664 7.445 -3.490 705 HG22 THR 88 HG22 THR 88 15.469 8.708 -3.797 706 HG23 THR 88 HG23 THR 88 15.004 7.236 -2.937 707 H ASP 89 H ASP 89 13.275 9.723 0.772 708 HA ASP 89 HA ASP 89 14.817 11.353 2.544 709 HB2 ASP 89 HB2 ASP 89 12.886 11.146 4.078 710 HB3 ASP 89 HB3 ASP 89 12.345 11.489 2.438 711 H LEU 90 H LEU 90 13.893 7.909 2.541 712 HA LEU 90 HA LEU 90 14.576 6.037 3.605 713 HB2 LEU 90 HB2 LEU 90 16.765 7.192 2.409 714 HB3 LEU 90 HB3 LEU 90 17.362 7.068 4.048 715 HG LEU 90 HG LEU 90 16.392 4.728 2.340 716 HD11 LEU 90 HD11 LEU 90 18.732 4.063 2.182 717 HD12 LEU 90 HD12 LEU 90 19.234 5.490 3.088 718 HD13 LEU 90 HD13 LEU 90 18.491 5.671 1.495 719 HD21 LEU 90 HD21 LEU 90 17.693 4.651 5.093 720 HD22 LEU 90 HD22 LEU 90 17.297 3.250 4.093 721 HD23 LEU 90 HD23 LEU 90 16.014 4.272 4.730 722 H SER 91 H SER 91 13.303 7.889 5.266 723 HA SER 91 HA SER 91 14.459 7.309 7.912 724 HB2 SER 91 HB2 SER 91 13.488 10.086 7.058 725 HB3 SER 91 HB3 SER 91 14.046 9.635 8.674 726 HG SER 91 HG SER 91 15.701 9.276 6.409 727 H GLN 92 H GLN 92 11.717 9.080 6.418 728 HA GLN 92 HA GLN 92 9.735 7.181 7.034 729 HB2 GLN 92 HB2 GLN 92 10.087 7.921 9.379 730 HB3 GLN 92 HB3 GLN 92 9.787 9.595 8.911 731 HG2 GLN 92 HG2 GLN 92 7.477 9.086 8.357 732 HG3 GLN 92 HG3 GLN 92 7.753 7.363 8.607 733 HE21 GLN 92 HE21 GLN 92 6.128 7.205 10.143 734 HE22 GLN 92 HE22 GLN 92 6.272 7.873 11.729 735 H ILE 93 H ILE 93 8.772 7.517 5.108 736 HA ILE 93 HA ILE 93 7.959 9.979 3.974 737 HB ILE 93 HB ILE 93 6.089 8.531 2.867 738 HG12 ILE 93 HG12 ILE 93 7.728 6.203 3.975 739 HG13 ILE 93 HG13 ILE 93 6.199 6.718 4.671 740 HG21 ILE 93 HG21 ILE 93 7.654 7.515 1.251 741 HG22 ILE 93 HG22 ILE 93 8.995 7.832 2.352 742 HG23 ILE 93 HG23 ILE 93 8.093 9.177 1.652 743 HD11 ILE 93 HD11 ILE 93 6.556 5.688 1.859 744 HD12 ILE 93 HD12 ILE 93 5.033 6.117 2.635 745 HD13 ILE 93 HD13 ILE 93 5.974 4.755 3.236 746 H VAL 94 H VAL 94 7.094 11.352 5.576 747 HA VAL 94 HA VAL 94 4.693 10.434 7.024 748 HB VAL 94 HB VAL 94 6.563 10.893 8.560 749 HG11 VAL 94 HG11 VAL 94 7.556 13.153 8.839 750 HG12 VAL 94 HG12 VAL 94 6.650 13.718 7.433 751 HG13 VAL 94 HG13 VAL 94 7.886 12.475 7.241 752 HG21 VAL 94 HG21 VAL 94 4.290 11.364 9.354 753 HG22 VAL 94 HG22 VAL 94 4.394 13.021 8.753 754 HG23 VAL 94 HG23 VAL 94 5.435 12.494 10.079 755 H TRP 95 H TRP 95 2.898 11.570 6.734 756 HA TRP 95 HA TRP 95 2.868 14.097 5.241 757 HB2 TRP 95 HB2 TRP 95 0.737 12.690 4.054 758 HB3 TRP 95 HB3 TRP 95 2.269 13.068 3.300 759 HD1 TRP 95 HD1 TRP 95 0.980 10.140 5.563 760 HE1 TRP 95 HE1 TRP 95 1.798 7.947 4.516 761 HE3 TRP 95 HE3 TRP 95 3.572 12.061 1.588 762 HZ2 TRP 95 HZ2 TRP 95 3.358 7.131 2.313 763 HZ3 TRP 95 HZ3 TRP 95 4.704 10.494 0.054 764 HH2 TRP 95 HH2 TRP 95 4.591 8.070 0.416 765 HA PRO 96 HA PRO 96 -0.503 15.329 7.944 766 HB2 PRO 96 HB2 PRO 96 -2.552 16.066 6.155 767 HB3 PRO 96 HB3 PRO 96 -1.222 17.111 6.664 768 HG2 PRO 96 HG2 PRO 96 -1.456 15.415 4.182 769 HG3 PRO 96 HG3 PRO 96 -0.863 17.082 4.344 770 HD2 PRO 96 HD2 PRO 96 0.863 15.077 4.096 771 HD3 PRO 96 HD3 PRO 96 1.211 16.385 5.253 772 H GLN 97 H GLN 97 -2.064 14.295 9.011 773 HA GLN 97 HA GLN 97 -3.296 11.856 7.894 774 HB2 GLN 97 HB2 GLN 97 -2.140 11.758 10.116 775 HB3 GLN 97 HB3 GLN 97 -3.302 12.907 10.763 776 HG2 GLN 97 HG2 GLN 97 -5.092 11.321 10.649 777 HG3 GLN 97 HG3 GLN 97 -4.167 10.235 9.614 778 HE21 GLN 97 HE21 GLN 97 -4.605 11.377 12.901 779 HE22 GLN 97 HE22 GLN 97 -3.705 10.111 13.657 780 H LEU 98 H LEU 98 -5.587 11.584 7.968 781 HA LEU 98 HA LEU 98 -7.022 13.739 6.960 782 HB2 LEU 98 HB2 LEU 98 -9.111 12.218 7.427 783 HB3 LEU 98 HB3 LEU 98 -7.909 11.750 6.247 784 HG LEU 98 HG LEU 98 -6.943 10.153 7.859 785 HD11 LEU 98 HD11 LEU 98 -7.503 11.151 9.988 786 HD12 LEU 98 HD12 LEU 98 -8.124 9.505 9.903 787 HD13 LEU 98 HD13 LEU 98 -9.224 10.873 9.697 788 HD21 LEU 98 HD21 LEU 98 -8.726 8.478 7.731 789 HD22 LEU 98 HD22 LEU 98 -8.590 9.393 6.229 790 HD23 LEU 98 HD23 LEU 98 -9.902 9.748 7.362 791 HA PRO 99 HA PRO 99 -8.268 16.234 10.415 792 HB2 PRO 99 HB2 PRO 99 -10.586 17.380 9.426 793 HB3 PRO 99 HB3 PRO 99 -8.958 17.859 8.926 794 HG2 PRO 99 HG2 PRO 99 -10.883 15.982 7.549 795 HG3 PRO 99 HG3 PRO 99 -9.886 17.274 6.845 796 HD2 PRO 99 HD2 PRO 99 -9.131 14.679 6.692 797 HD3 PRO 99 HD3 PRO 99 -7.933 15.976 6.906 798 H VAL 100 H VAL 100 -10.756 14.070 9.087 799 HA VAL 100 HA VAL 100 -12.334 14.138 11.571 800 HB VAL 100 HB VAL 100 -12.901 12.677 8.951 801 HG11 VAL 100 HG11 VAL 100 -15.219 12.404 9.798 802 HG12 VAL 100 HG12 VAL 100 -14.759 13.164 11.322 803 HG13 VAL 100 HG13 VAL 100 -14.052 11.612 10.864 804 HG21 VAL 100 HG21 VAL 100 -12.884 15.119 8.605 805 HG22 VAL 100 HG22 VAL 100 -14.021 15.337 9.938 806 HG23 VAL 100 HG23 VAL 100 -14.530 14.494 8.475 Start of MODEL 16 1 H MET 1 H MET 1 7.857 -3.866 7.716 2 HA MET 1 HA MET 1 6.462 -3.513 5.133 3 HB2 MET 1 HB2 MET 1 8.078 -1.707 5.498 4 HB3 MET 1 HB3 MET 1 9.323 -2.859 5.957 5 HG2 MET 1 HG2 MET 1 8.094 -2.814 3.185 6 HG3 MET 1 HG3 MET 1 9.505 -1.859 3.624 7 HE1 MET 1 HE1 MET 1 10.868 -2.975 1.622 8 HE2 MET 1 HE2 MET 1 9.432 -3.916 1.203 9 HE3 MET 1 HE3 MET 1 10.990 -4.721 1.392 10 H LEU 2 H LEU 2 6.345 -5.285 4.022 11 HA LEU 2 HA LEU 2 8.377 -7.426 4.236 12 HB2 LEU 2 HB2 LEU 2 6.604 -9.036 3.559 13 HB3 LEU 2 HB3 LEU 2 6.274 -8.263 5.091 14 HG LEU 2 HG LEU 2 4.742 -6.650 3.583 15 HD11 LEU 2 HD11 LEU 2 3.596 -7.830 1.768 16 HD12 LEU 2 HD12 LEU 2 4.716 -9.186 1.922 17 HD13 LEU 2 HD13 LEU 2 5.310 -7.604 1.413 18 HD21 LEU 2 HD21 LEU 2 2.794 -8.041 4.117 19 HD22 LEU 2 HD22 LEU 2 3.929 -7.990 5.462 20 HD23 LEU 2 HD23 LEU 2 3.852 -9.422 4.434 21 H LEU 3 H LEU 3 8.985 -8.405 2.192 22 HA LEU 3 HA LEU 3 9.158 -6.622 0.030 23 HB2 LEU 3 HB2 LEU 3 9.873 -9.545 0.493 24 HB3 LEU 3 HB3 LEU 3 10.106 -8.803 -1.084 25 HG LEU 3 HG LEU 3 11.800 -7.300 -0.259 26 HD11 LEU 3 HD11 LEU 3 10.821 -6.632 1.887 27 HD12 LEU 3 HD12 LEU 3 12.508 -7.105 2.075 28 HD13 LEU 3 HD13 LEU 3 11.219 -8.207 2.574 29 HD21 LEU 3 HD21 LEU 3 13.520 -8.809 0.616 30 HD22 LEU 3 HD22 LEU 3 12.597 -9.576 -0.671 31 HD23 LEU 3 HD23 LEU 3 12.286 -10.013 1.011 32 H HIS 4 H HIS 4 7.819 -6.359 -1.675 33 HA HIS 4 HA HIS 4 5.271 -7.798 -1.757 34 HB2 HIS 4 HB2 HIS 4 5.464 -5.253 -2.045 35 HB3 HIS 4 HB3 HIS 4 6.211 -5.555 -3.610 36 HD1 HIS 4 HD1 HIS 4 4.602 -5.715 -5.548 37 HD2 HIS 4 HD2 HIS 4 2.707 -6.345 -1.900 38 HE1 HIS 4 HE1 HIS 4 2.145 -5.869 -6.079 39 HE2 HIS 4 HE2 HIS 4 1.048 -6.427 -3.885 40 H SER 5 H SER 5 8.353 -7.736 -3.261 41 HA SER 5 HA SER 5 7.866 -10.267 -4.555 42 HB2 SER 5 HB2 SER 5 7.348 -8.645 -6.376 43 HB3 SER 5 HB3 SER 5 8.909 -7.864 -6.139 44 HG SER 5 HG SER 5 8.341 -9.934 -7.665 45 H VAL 6 H VAL 6 9.724 -11.485 -4.411 46 HA VAL 6 HA VAL 6 12.301 -10.221 -3.766 47 HB VAL 6 HB VAL 6 11.439 -10.899 -1.585 48 HG11 VAL 6 HG11 VAL 6 9.822 -12.616 -2.213 49 HG12 VAL 6 HG12 VAL 6 10.909 -13.222 -0.963 50 HG13 VAL 6 HG13 VAL 6 11.129 -13.721 -2.643 51 HG21 VAL 6 HG21 VAL 6 13.294 -12.345 -0.810 52 HG22 VAL 6 HG22 VAL 6 13.872 -11.137 -1.960 53 HG23 VAL 6 HG23 VAL 6 13.637 -12.807 -2.482 54 H GLU 7 H GLU 7 13.672 -10.795 -5.293 55 HA GLU 7 HA GLU 7 13.397 -13.235 -6.812 56 HB2 GLU 7 HB2 GLU 7 14.454 -10.850 -7.485 57 HB3 GLU 7 HB3 GLU 7 15.932 -11.583 -6.883 58 HG2 GLU 7 HG2 GLU 7 14.198 -12.540 -9.183 59 HG3 GLU 7 HG3 GLU 7 15.812 -11.846 -9.289 60 H THR 8 H THR 8 13.695 -15.032 -5.594 61 HA THR 8 HA THR 8 15.924 -15.236 -3.665 62 HB THR 8 HB THR 8 14.769 -17.145 -2.714 63 HG1 THR 8 HG1 THR 8 12.663 -17.145 -4.533 64 HG21 THR 8 HG21 THR 8 12.571 -15.191 -3.500 65 HG22 THR 8 HG22 THR 8 13.695 -14.944 -2.166 66 HG23 THR 8 HG23 THR 8 12.557 -16.290 -2.119 67 HA PRO 9 HA PRO 9 18.573 -17.726 -6.309 68 HB2 PRO 9 HB2 PRO 9 18.689 -19.872 -4.187 69 HB3 PRO 9 HB3 PRO 9 20.007 -19.007 -4.992 70 HG2 PRO 9 HG2 PRO 9 19.335 -18.379 -2.493 71 HG3 PRO 9 HG3 PRO 9 19.751 -17.099 -3.656 72 HD2 PRO 9 HD2 PRO 9 17.028 -17.973 -2.692 73 HD3 PRO 9 HD3 PRO 9 17.653 -16.332 -2.974 74 H ARG 10 H ARG 10 15.620 -19.123 -5.230 75 HA ARG 10 HA ARG 10 15.727 -21.310 -7.213 76 HB2 ARG 10 HB2 ARG 10 13.509 -21.993 -6.210 77 HB3 ARG 10 HB3 ARG 10 14.859 -22.013 -5.082 78 HG2 ARG 10 HG2 ARG 10 14.140 -19.882 -4.122 79 HG3 ARG 10 HG3 ARG 10 12.812 -19.778 -5.276 80 HD2 ARG 10 HD2 ARG 10 13.100 -22.010 -3.247 81 HD3 ARG 10 HD3 ARG 10 12.195 -20.526 -2.940 82 HE ARG 10 HE ARG 10 11.218 -21.601 -5.314 83 HH11 ARG 10 HH11 ARG 10 11.370 -22.630 -1.960 84 HH12 ARG 10 HH12 ARG 10 9.850 -23.461 -2.024 85 HH21 ARG 10 HH21 ARG 10 9.241 -22.700 -5.384 86 HH22 ARG 10 HH22 ARG 10 8.662 -23.531 -3.973 87 H GLY 11 H GLY 11 13.946 -18.298 -6.496 88 HA2 GLY 11 HA2 GLY 11 13.825 -17.357 -9.064 89 HA3 GLY 11 HA3 GLY 11 12.365 -18.339 -8.901 90 H GLU 12 H GLU 12 11.880 -15.793 -9.397 91 HA GLU 12 HA GLU 12 11.721 -14.055 -7.128 92 HB2 GLU 12 HB2 GLU 12 11.782 -13.249 -9.493 93 HB3 GLU 12 HB3 GLU 12 10.188 -13.947 -9.764 94 HG2 GLU 12 HG2 GLU 12 9.283 -12.422 -7.984 95 HG3 GLU 12 HG3 GLU 12 10.879 -11.689 -7.865 96 H ILE 13 H ILE 13 10.057 -13.899 -5.549 97 HA ILE 13 HA ILE 13 7.646 -15.570 -5.813 98 HB ILE 13 HB ILE 13 9.286 -15.236 -3.232 99 HG12 ILE 13 HG12 ILE 13 10.637 -16.596 -4.840 100 HG13 ILE 13 HG13 ILE 13 10.140 -17.522 -3.432 101 HG21 ILE 13 HG21 ILE 13 7.862 -17.051 -2.343 102 HG22 ILE 13 HG22 ILE 13 7.011 -17.153 -3.888 103 HG23 ILE 13 HG23 ILE 13 6.884 -15.689 -2.907 104 HD11 ILE 13 HD11 ILE 13 8.894 -17.658 -6.166 105 HD12 ILE 13 HD12 ILE 13 8.411 -18.609 -4.760 106 HD13 ILE 13 HD13 ILE 13 10.012 -18.828 -5.465 107 H LEU 14 H LEU 14 5.836 -14.330 -5.285 108 HA LEU 14 HA LEU 14 6.231 -11.519 -4.588 109 HB2 LEU 14 HB2 LEU 14 3.696 -13.059 -5.275 110 HB3 LEU 14 HB3 LEU 14 3.810 -11.311 -5.096 111 HG LEU 14 HG LEU 14 5.265 -12.926 -7.236 112 HD11 LEU 14 HD11 LEU 14 2.784 -11.206 -7.498 113 HD12 LEU 14 HD12 LEU 14 2.851 -12.970 -7.597 114 HD13 LEU 14 HD13 LEU 14 3.657 -11.988 -8.819 115 HD21 LEU 14 HD21 LEU 14 6.473 -10.870 -6.644 116 HD22 LEU 14 HD22 LEU 14 5.008 -9.916 -6.886 117 HD23 LEU 14 HD23 LEU 14 5.770 -10.731 -8.255 118 H ASN 15 H ASN 15 5.200 -10.447 -2.904 119 HA ASN 15 HA ASN 15 4.777 -10.020 -0.751 120 HB2 ASN 15 HB2 ASN 15 2.518 -10.698 0.009 121 HB3 ASN 15 HB3 ASN 15 2.539 -10.104 -1.643 122 HD21 ASN 15 HD21 ASN 15 2.286 -11.642 -3.365 123 HD22 ASN 15 HD22 ASN 15 1.494 -13.151 -3.092 124 H VAL 16 H VAL 16 6.720 -10.969 0.034 125 HA VAL 16 HA VAL 16 6.297 -13.264 1.860 126 HB VAL 16 HB VAL 16 8.931 -12.760 0.398 127 HG11 VAL 16 HG11 VAL 16 7.938 -15.190 1.931 128 HG12 VAL 16 HG12 VAL 16 9.160 -14.037 2.474 129 HG13 VAL 16 HG13 VAL 16 9.483 -15.068 1.081 130 HG21 VAL 16 HG21 VAL 16 8.409 -14.632 -1.110 131 HG22 VAL 16 HG22 VAL 16 7.273 -13.300 -1.319 132 HG23 VAL 16 HG23 VAL 16 6.785 -14.742 -0.426 133 H SER 17 H SER 17 7.214 -13.034 3.879 134 HA SER 17 HA SER 17 8.261 -10.491 4.768 135 HB2 SER 17 HB2 SER 17 6.819 -11.910 6.198 136 HB3 SER 17 HB3 SER 17 8.055 -13.167 6.217 137 HG SER 17 HG SER 17 7.906 -11.504 8.007 138 H GLU 18 H GLU 18 10.364 -10.133 5.588 139 HA GLU 18 HA GLU 18 12.522 -11.060 4.069 140 HB2 GLU 18 HB2 GLU 18 12.515 -9.711 6.790 141 HB3 GLU 18 HB3 GLU 18 13.957 -9.906 5.787 142 HG2 GLU 18 HG2 GLU 18 13.027 -8.527 4.052 143 HG3 GLU 18 HG3 GLU 18 11.469 -8.454 4.864 144 H GLN 19 H GLN 19 11.427 -12.170 7.283 145 HA GLN 19 HA GLN 19 13.608 -13.968 7.738 146 HB2 GLN 19 HB2 GLN 19 10.817 -13.955 8.952 147 HB3 GLN 19 HB3 GLN 19 12.131 -15.001 9.491 148 HG2 GLN 19 HG2 GLN 19 13.466 -12.942 10.042 149 HG3 GLN 19 HG3 GLN 19 12.053 -11.974 9.623 150 HE21 GLN 19 HE21 GLN 19 13.403 -14.213 11.937 151 HE22 GLN 19 HE22 GLN 19 12.234 -13.945 13.179 152 H GLU 20 H GLU 20 10.264 -14.454 6.533 153 HA GLU 20 HA GLU 20 10.344 -17.238 6.173 154 HB2 GLU 20 HB2 GLU 20 8.225 -16.016 6.137 155 HB3 GLU 20 HB3 GLU 20 8.712 -15.127 4.698 156 HG2 GLU 20 HG2 GLU 20 8.619 -17.151 3.347 157 HG3 GLU 20 HG3 GLU 20 8.280 -18.128 4.779 158 H ALA 21 H ALA 21 10.768 -14.724 3.681 159 HA ALA 21 HA ALA 21 11.700 -16.052 1.553 160 HB1 ALA 21 HB1 ALA 21 12.976 -14.037 0.937 161 HB2 ALA 21 HB2 ALA 21 12.837 -13.442 2.600 162 HB3 ALA 21 HB3 ALA 21 11.393 -13.632 1.600 163 H ARG 22 H ARG 22 13.897 -14.986 4.218 164 HA ARG 22 HA ARG 22 16.225 -16.211 3.109 165 HB2 ARG 22 HB2 ARG 22 15.654 -15.257 5.942 166 HB3 ARG 22 HB3 ARG 22 17.228 -15.856 5.413 167 HG2 ARG 22 HG2 ARG 22 17.301 -14.041 3.704 168 HG3 ARG 22 HG3 ARG 22 15.781 -13.413 4.348 169 HD2 ARG 22 HD2 ARG 22 18.381 -13.662 5.904 170 HD3 ARG 22 HD3 ARG 22 17.762 -12.182 5.171 171 HE ARG 22 HE ARG 22 15.866 -13.326 6.970 172 HH11 ARG 22 HH11 ARG 22 18.781 -11.358 6.917 173 HH12 ARG 22 HH12 ARG 22 18.465 -10.646 8.463 174 HH21 ARG 22 HH21 ARG 22 15.481 -12.402 8.994 175 HH22 ARG 22 HH22 ARG 22 16.592 -11.242 9.650 176 H ASP 23 H ASP 23 13.721 -17.393 5.296 177 HA ASP 23 HA ASP 23 15.282 -19.575 6.385 178 HB2 ASP 23 HB2 ASP 23 13.680 -18.409 7.826 179 HB3 ASP 23 HB3 ASP 23 12.361 -18.751 6.716 180 H VAL 24 H VAL 24 12.151 -19.461 4.649 181 HA VAL 24 HA VAL 24 12.217 -22.233 3.935 182 HB VAL 24 HB VAL 24 10.292 -20.005 3.092 183 HG11 VAL 24 HG11 VAL 24 8.704 -21.812 2.515 184 HG12 VAL 24 HG12 VAL 24 9.929 -23.024 2.886 185 HG13 VAL 24 HG13 VAL 24 10.168 -21.916 1.531 186 HG21 VAL 24 HG21 VAL 24 10.021 -22.037 5.346 187 HG22 VAL 24 HG22 VAL 24 8.790 -20.867 4.857 188 HG23 VAL 24 HG23 VAL 24 10.319 -20.303 5.540 189 H PHE 25 H PHE 25 12.054 -19.220 2.018 190 HA PHE 25 HA PHE 25 12.432 -20.610 -0.487 191 HB2 PHE 25 HB2 PHE 25 12.219 -17.626 0.121 192 HB3 PHE 25 HB3 PHE 25 12.209 -18.325 -1.498 193 HD1 PHE 25 HD1 PHE 25 10.343 -20.016 -2.076 194 HD2 PHE 25 HD2 PHE 25 10.159 -17.433 1.334 195 HE1 PHE 25 HE1 PHE 25 7.907 -20.345 -1.954 196 HE2 PHE 25 HE2 PHE 25 7.725 -17.768 1.446 197 HZ PHE 25 HZ PHE 25 6.597 -19.218 -0.195 198 H GLY 26 H GLY 26 14.581 -19.337 1.800 199 HA2 GLY 26 HA2 GLY 26 16.857 -19.482 1.883 200 HA3 GLY 26 HA3 GLY 26 16.831 -20.246 0.304 201 H ALA 27 H ALA 27 15.329 -17.153 0.508 202 HA ALA 27 HA ALA 27 16.964 -15.817 -1.298 203 HB1 ALA 27 HB1 ALA 27 14.681 -15.086 -0.688 204 HB2 ALA 27 HB2 ALA 27 15.847 -13.770 -0.594 205 HB3 ALA 27 HB3 ALA 27 15.277 -14.554 0.883 206 H SER 28 H SER 28 19.000 -15.124 -1.100 207 HA SER 28 HA SER 28 20.505 -15.133 1.271 208 HB2 SER 28 HB2 SER 28 22.243 -13.984 -0.074 209 HB3 SER 28 HB3 SER 28 21.530 -15.324 -0.965 210 HG SER 28 HG SER 28 21.698 -13.536 -2.289 211 H GLU 29 H GLU 29 21.683 -13.087 2.069 212 HA GLU 29 HA GLU 29 19.634 -11.249 3.031 213 HB2 GLU 29 HB2 GLU 29 22.615 -11.424 3.632 214 HB3 GLU 29 HB3 GLU 29 21.513 -10.264 4.386 215 HG2 GLU 29 HG2 GLU 29 20.162 -12.190 5.259 216 HG3 GLU 29 HG3 GLU 29 21.377 -13.297 4.612 217 H GLN 30 H GLN 30 22.200 -11.331 0.675 218 HA GLN 30 HA GLN 30 22.131 -8.588 -0.117 219 HB2 GLN 30 HB2 GLN 30 22.913 -11.089 -1.672 220 HB3 GLN 30 HB3 GLN 30 23.287 -9.434 -2.153 221 HG2 GLN 30 HG2 GLN 30 24.726 -9.143 -0.199 222 HG3 GLN 30 HG3 GLN 30 24.273 -10.732 0.414 223 HE21 GLN 30 HE21 GLN 30 26.393 -11.477 0.469 224 HE22 GLN 30 HE22 GLN 30 27.296 -11.839 -0.960 225 H ALA 31 H ALA 31 20.296 -11.497 -1.101 226 HA ALA 31 HA ALA 31 18.875 -10.327 -3.268 227 HB1 ALA 31 HB1 ALA 31 18.993 -12.758 -3.013 228 HB2 ALA 31 HB2 ALA 31 17.307 -12.230 -3.051 229 HB3 ALA 31 HB3 ALA 31 18.061 -12.677 -1.514 230 H ILE 32 H ILE 32 17.704 -11.025 0.121 231 HA ILE 32 HA ILE 32 15.554 -9.483 0.294 232 HB ILE 32 HB ILE 32 17.708 -9.504 2.450 233 HG12 ILE 32 HG12 ILE 32 17.139 -11.798 1.827 234 HG13 ILE 32 HG13 ILE 32 16.462 -11.440 3.408 235 HG21 ILE 32 HG21 ILE 32 15.842 -9.121 4.051 236 HG22 ILE 32 HG22 ILE 32 14.706 -8.986 2.709 237 HG23 ILE 32 HG23 ILE 32 15.989 -7.790 2.903 238 HD11 ILE 32 HD11 ILE 32 14.974 -11.560 0.795 239 HD12 ILE 32 HD12 ILE 32 14.260 -11.121 2.353 240 HD13 ILE 32 HD13 ILE 32 14.934 -12.732 2.111 241 H ALA 33 H ALA 33 18.815 -8.116 1.053 242 HA ALA 33 HA ALA 33 18.303 -5.486 1.328 243 HB1 ALA 33 HB1 ALA 33 20.552 -6.475 1.479 244 HB2 ALA 33 HB2 ALA 33 20.571 -4.996 0.512 245 HB3 ALA 33 HB3 ALA 33 20.632 -6.574 -0.278 246 H ASP 34 H ASP 34 19.025 -6.851 -1.925 247 HA ASP 34 HA ASP 34 18.328 -4.724 -3.522 248 HB2 ASP 34 HB2 ASP 34 19.398 -6.851 -4.318 249 HB3 ASP 34 HB3 ASP 34 17.848 -7.666 -4.171 250 H ALA 35 H ALA 35 16.164 -7.412 -2.712 251 HA ALA 35 HA ALA 35 13.869 -6.411 -4.028 252 HB1 ALA 35 HB1 ALA 35 14.234 -8.783 -3.659 253 HB2 ALA 35 HB2 ALA 35 12.686 -8.285 -2.964 254 HB3 ALA 35 HB3 ALA 35 14.083 -8.560 -1.916 255 H ARG 36 H ARG 36 15.049 -5.880 -0.856 256 HA ARG 36 HA ARG 36 12.632 -4.888 0.360 257 HB2 ARG 36 HB2 ARG 36 14.390 -5.753 1.829 258 HB3 ARG 36 HB3 ARG 36 15.555 -4.586 1.206 259 HG2 ARG 36 HG2 ARG 36 14.152 -2.745 2.176 260 HG3 ARG 36 HG3 ARG 36 13.077 -3.968 2.859 261 HD2 ARG 36 HD2 ARG 36 14.848 -4.808 4.276 262 HD3 ARG 36 HD3 ARG 36 16.035 -3.755 3.495 263 HE ARG 36 HE ARG 36 14.588 -1.863 4.396 264 HH11 ARG 36 HH11 ARG 36 14.788 -4.908 6.111 265 HH12 ARG 36 HH12 ARG 36 14.545 -4.173 7.663 266 HH21 ARG 36 HH21 ARG 36 14.235 -0.930 6.404 267 HH22 ARG 36 HH22 ARG 36 14.212 -1.927 7.822 268 H LYS 37 H LYS 37 15.632 -3.458 -0.950 269 HA LYS 37 HA LYS 37 14.925 -0.766 -1.055 270 HB2 LYS 37 HB2 LYS 37 17.195 -1.458 -1.515 271 HB3 LYS 37 HB3 LYS 37 16.675 -2.531 -2.804 272 HG2 LYS 37 HG2 LYS 37 15.913 -0.353 -4.028 273 HG3 LYS 37 HG3 LYS 37 16.911 0.486 -2.842 274 HD2 LYS 37 HD2 LYS 37 18.163 0.089 -4.926 275 HD3 LYS 37 HD3 LYS 37 18.890 -0.807 -3.590 276 HE2 LYS 37 HE2 LYS 37 17.737 -2.875 -4.372 277 HE3 LYS 37 HE3 LYS 37 17.033 -1.970 -5.713 278 HZ1 LYS 37 HZ1 LYS 37 18.975 -3.243 -6.351 279 HZ2 LYS 37 HZ2 LYS 37 19.931 -2.385 -5.254 280 HZ3 LYS 37 HZ3 LYS 37 19.237 -1.587 -6.574 281 H ALA 38 H ALA 38 14.038 -3.497 -3.137 282 HA ALA 38 HA ALA 38 13.267 -1.925 -5.413 283 HB1 ALA 38 HB1 ALA 38 14.031 -4.268 -5.653 284 HB2 ALA 38 HB2 ALA 38 12.410 -4.062 -6.319 285 HB3 ALA 38 HB3 ALA 38 12.631 -4.832 -4.741 286 H THR 39 H THR 39 11.606 -3.557 -2.714 287 HA THR 39 HA THR 39 8.953 -2.883 -3.540 288 HB THR 39 HB THR 39 9.947 -3.770 -0.786 289 HG1 THR 39 HG1 THR 39 10.246 -5.257 -2.612 290 HG21 THR 39 HG21 THR 39 7.110 -3.728 -1.899 291 HG22 THR 39 HG22 THR 39 7.725 -2.688 -0.613 292 HG23 THR 39 HG23 THR 39 7.600 -4.429 -0.356 293 H ILE 40 H ILE 40 11.261 -1.476 -1.185 294 HA ILE 40 HA ILE 40 9.596 0.558 -0.161 295 HB ILE 40 HB ILE 40 12.615 0.215 -0.265 296 HG12 ILE 40 HG12 ILE 40 11.342 -1.178 1.342 297 HG13 ILE 40 HG13 ILE 40 12.400 -0.052 2.183 298 HG21 ILE 40 HG21 ILE 40 12.347 2.641 -0.412 299 HG22 ILE 40 HG22 ILE 40 12.923 2.201 1.194 300 HG23 ILE 40 HG23 ILE 40 11.229 2.632 0.956 301 HD11 ILE 40 HD11 ILE 40 10.263 -0.221 3.287 302 HD12 ILE 40 HD12 ILE 40 9.420 0.247 1.812 303 HD13 ILE 40 HD13 ILE 40 10.471 1.405 2.635 304 H LEU 41 H LEU 41 12.156 0.833 -2.605 305 HA LEU 41 HA LEU 41 11.871 3.476 -3.360 306 HB2 LEU 41 HB2 LEU 41 13.831 2.602 -4.140 307 HB3 LEU 41 HB3 LEU 41 13.156 1.040 -4.491 308 HG LEU 41 HG LEU 41 12.554 3.322 -6.382 309 HD11 LEU 41 HD11 LEU 41 14.604 2.842 -7.649 310 HD12 LEU 41 HD12 LEU 41 15.121 1.686 -6.421 311 HD13 LEU 41 HD13 LEU 41 15.005 3.402 -6.025 312 HD21 LEU 41 HD21 LEU 41 12.965 0.331 -6.821 313 HD22 LEU 41 HD22 LEU 41 12.529 1.505 -8.066 314 HD23 LEU 41 HD23 LEU 41 11.407 1.160 -6.754 315 H GLN 42 H GLN 42 10.080 0.655 -4.526 316 HA GLN 42 HA GLN 42 8.717 2.085 -6.642 317 HB2 GLN 42 HB2 GLN 42 9.262 -0.395 -6.649 318 HB3 GLN 42 HB3 GLN 42 8.026 -0.622 -5.423 319 HG2 GLN 42 HG2 GLN 42 6.974 -1.219 -7.428 320 HG3 GLN 42 HG3 GLN 42 6.391 0.411 -7.122 321 HE21 GLN 42 HE21 GLN 42 6.444 -1.006 -9.630 322 HE22 GLN 42 HE22 GLN 42 7.422 -0.080 -10.714 323 H THR 43 H THR 43 7.826 0.754 -3.507 324 HA THR 43 HA THR 43 5.102 1.355 -3.413 325 HB THR 43 HB THR 43 7.057 0.966 -1.102 326 HG1 THR 43 HG1 THR 43 6.725 -1.059 -1.569 327 HG21 THR 43 HG21 THR 43 5.113 0.562 0.367 328 HG22 THR 43 HG22 THR 43 4.018 1.025 -0.938 329 HG23 THR 43 HG23 THR 43 5.107 2.221 -0.234 330 H LEU 44 H LEU 44 7.846 3.252 -2.166 331 HA LEU 44 HA LEU 44 6.295 5.332 -0.964 332 HB2 LEU 44 HB2 LEU 44 9.224 5.270 -1.764 333 HB3 LEU 44 HB3 LEU 44 8.472 6.493 -0.759 334 HG LEU 44 HG LEU 44 8.986 3.587 -0.071 335 HD11 LEU 44 HD11 LEU 44 10.857 5.083 0.284 336 HD12 LEU 44 HD12 LEU 44 10.234 4.478 1.816 337 HD13 LEU 44 HD13 LEU 44 9.866 6.129 1.305 338 HD21 LEU 44 HD21 LEU 44 7.235 5.499 1.503 339 HD22 LEU 44 HD22 LEU 44 7.810 3.930 2.079 340 HD23 LEU 44 HD23 LEU 44 6.726 4.014 0.694 341 H ARG 45 H ARG 45 7.838 4.950 -4.158 342 HA ARG 45 HA ARG 45 7.265 7.527 -5.221 343 HB2 ARG 45 HB2 ARG 45 7.772 4.817 -6.468 344 HB3 ARG 45 HB3 ARG 45 7.286 6.157 -7.495 345 HG2 ARG 45 HG2 ARG 45 9.706 6.291 -5.673 346 HG3 ARG 45 HG3 ARG 45 9.782 5.682 -7.325 347 HD2 ARG 45 HD2 ARG 45 10.475 7.986 -7.372 348 HD3 ARG 45 HD3 ARG 45 8.877 7.902 -8.120 349 HE ARG 45 HE ARG 45 9.019 8.622 -5.276 350 HH11 ARG 45 HH11 ARG 45 8.492 9.709 -8.585 351 HH12 ARG 45 HH12 ARG 45 7.885 11.257 -8.100 352 HH21 ARG 45 HH21 ARG 45 8.214 10.657 -4.677 353 HH22 ARG 45 HH22 ARG 45 7.737 11.797 -5.892 354 H ILE 46 H ILE 46 5.307 4.694 -4.749 355 HA ILE 46 HA ILE 46 3.081 5.704 -6.390 356 HB ILE 46 HB ILE 46 3.542 2.996 -5.046 357 HG12 ILE 46 HG12 ILE 46 3.688 3.762 -8.007 358 HG13 ILE 46 HG13 ILE 46 5.080 3.486 -6.964 359 HG21 ILE 46 HG21 ILE 46 1.119 3.432 -5.244 360 HG22 ILE 46 HG22 ILE 46 1.613 2.168 -6.369 361 HG23 ILE 46 HG23 ILE 46 1.309 3.802 -6.962 362 HD11 ILE 46 HD11 ILE 46 3.019 1.428 -7.747 363 HD12 ILE 46 HD12 ILE 46 4.400 1.152 -6.680 364 HD13 ILE 46 HD13 ILE 46 4.664 1.576 -8.370 365 H GLU 47 H GLU 47 4.067 5.477 -3.079 366 HA GLU 47 HA GLU 47 1.644 5.009 -1.714 367 HB2 GLU 47 HB2 GLU 47 4.362 5.957 -0.931 368 HB3 GLU 47 HB3 GLU 47 3.086 6.481 0.151 369 HG2 GLU 47 HG2 GLU 47 3.784 3.624 -0.544 370 HG3 GLU 47 HG3 GLU 47 4.135 4.459 0.970 371 H ARG 48 H ARG 48 3.145 7.963 -2.785 372 HA ARG 48 HA ARG 48 1.478 9.886 -1.643 373 HB2 ARG 48 HB2 ARG 48 2.210 11.304 -3.606 374 HB3 ARG 48 HB3 ARG 48 3.516 10.540 -2.707 375 HG2 ARG 48 HG2 ARG 48 3.734 8.814 -4.453 376 HG3 ARG 48 HG3 ARG 48 2.405 9.551 -5.359 377 HD2 ARG 48 HD2 ARG 48 5.109 10.795 -4.753 378 HD3 ARG 48 HD3 ARG 48 4.537 10.228 -6.324 379 HE ARG 48 HE ARG 48 4.023 12.746 -5.095 380 HH11 ARG 48 HH11 ARG 48 2.490 10.417 -7.246 381 HH12 ARG 48 HH12 ARG 48 1.535 11.617 -8.049 382 HH21 ARG 48 HH21 ARG 48 2.738 14.288 -6.120 383 HH22 ARG 48 HH22 ARG 48 1.673 13.819 -7.404 384 H ASP 49 H ASP 49 1.062 8.023 -4.672 385 HA ASP 49 HA ASP 49 -1.399 9.269 -5.487 386 HB2 ASP 49 HB2 ASP 49 -0.151 6.622 -6.358 387 HB3 ASP 49 HB3 ASP 49 -1.493 7.426 -7.171 388 H GLU 50 H GLU 50 -0.534 6.413 -3.588 389 HA GLU 50 HA GLU 50 -2.959 5.017 -3.437 390 HB2 GLU 50 HB2 GLU 50 -0.874 5.359 -1.234 391 HB3 GLU 50 HB3 GLU 50 -2.106 4.102 -1.274 392 HG2 GLU 50 HG2 GLU 50 0.090 4.411 -3.338 393 HG3 GLU 50 HG3 GLU 50 0.201 3.369 -1.927 394 H ARG 51 H ARG 51 -1.698 7.545 -1.284 395 HA ARG 51 HA ARG 51 -4.131 7.662 0.274 396 HB2 ARG 51 HB2 ARG 51 -2.952 9.516 1.525 397 HB3 ARG 51 HB3 ARG 51 -2.194 7.933 1.569 398 HG2 ARG 51 HG2 ARG 51 -0.558 8.690 -0.129 399 HG3 ARG 51 HG3 ARG 51 -1.304 10.291 -0.118 400 HD2 ARG 51 HD2 ARG 51 0.790 10.065 1.314 401 HD3 ARG 51 HD3 ARG 51 -0.626 10.684 2.160 402 HE ARG 51 HE ARG 51 -0.620 8.834 3.505 403 HH11 ARG 51 HH11 ARG 51 1.478 8.132 0.791 404 HH12 ARG 51 HH12 ARG 51 2.044 6.647 1.479 405 HH21 ARG 51 HH21 ARG 51 0.136 6.897 4.367 406 HH22 ARG 51 HH22 ARG 51 1.280 5.945 3.480 407 H LEU 52 H LEU 52 -2.849 9.462 -2.446 408 HA LEU 52 HA LEU 52 -4.638 11.680 -2.278 409 HB2 LEU 52 HB2 LEU 52 -2.798 10.571 -4.348 410 HB3 LEU 52 HB3 LEU 52 -4.131 11.514 -4.984 411 HG LEU 52 HG LEU 52 -3.387 13.524 -3.958 412 HD11 LEU 52 HD11 LEU 52 -1.645 13.684 -2.248 413 HD12 LEU 52 HD12 LEU 52 -1.532 11.922 -2.191 414 HD13 LEU 52 HD13 LEU 52 -3.023 12.728 -1.702 415 HD21 LEU 52 HD21 LEU 52 -1.975 12.862 -5.863 416 HD22 LEU 52 HD22 LEU 52 -0.853 12.056 -4.761 417 HD23 LEU 52 HD23 LEU 52 -1.068 13.807 -4.682 418 H ARG 53 H ARG 53 -4.960 8.451 -3.787 419 HA ARG 53 HA ARG 53 -7.657 9.014 -4.701 420 HB2 ARG 53 HB2 ARG 53 -7.768 6.813 -5.554 421 HB3 ARG 53 HB3 ARG 53 -6.106 7.318 -5.819 422 HG2 ARG 53 HG2 ARG 53 -5.396 5.995 -3.851 423 HG3 ARG 53 HG3 ARG 53 -7.069 5.485 -3.597 424 HD2 ARG 53 HD2 ARG 53 -5.857 3.723 -4.741 425 HD3 ARG 53 HD3 ARG 53 -7.042 4.417 -5.852 426 HE ARG 53 HE ARG 53 -5.226 5.650 -6.907 427 HH11 ARG 53 HH11 ARG 53 -4.319 2.895 -4.971 428 HH12 ARG 53 HH12 ARG 53 -2.728 2.798 -5.646 429 HH21 ARG 53 HH21 ARG 53 -3.154 5.519 -7.794 430 HH22 ARG 53 HH22 ARG 53 -2.064 4.277 -7.257 431 H ALA 54 H ALA 54 -6.157 7.718 -1.804 432 HA ALA 54 HA ALA 54 -8.627 6.997 -0.479 433 HB1 ALA 54 HB1 ALA 54 -5.929 7.662 0.740 434 HB2 ALA 54 HB2 ALA 54 -6.443 6.057 0.214 435 HB3 ALA 54 HB3 ALA 54 -7.273 6.857 1.551 436 H CYS 55 H CYS 55 -7.504 9.910 -1.513 437 HA CYS 55 HA CYS 55 -9.174 11.425 0.396 438 HB2 CYS 55 HB2 CYS 55 -6.742 12.001 0.531 439 HB3 CYS 55 HB3 CYS 55 -6.754 12.393 -1.191 440 HG CYS 55 HG CYS 55 -6.894 14.559 0.894 441 H ASP 56 H ASP 56 -9.615 9.944 -2.320 442 HA ASP 56 HA ASP 56 -10.432 12.197 -4.052 443 HB2 ASP 56 HB2 ASP 56 -8.984 10.373 -4.998 444 HB3 ASP 56 HB3 ASP 56 -10.295 9.229 -4.717 445 H TRP 57 H TRP 57 -11.696 9.291 -2.483 446 HA TRP 57 HA TRP 57 -14.391 9.457 -3.249 447 HB2 TRP 57 HB2 TRP 57 -14.885 8.066 -1.291 448 HB3 TRP 57 HB3 TRP 57 -13.410 7.495 -2.063 449 HD1 TRP 57 HD1 TRP 57 -11.034 8.212 -0.756 450 HE1 TRP 57 HE1 TRP 57 -10.575 8.492 1.753 451 HE3 TRP 57 HE3 TRP 57 -15.836 8.722 0.941 452 HZ2 TRP 57 HZ2 TRP 57 -12.005 8.841 4.135 453 HZ3 TRP 57 HZ3 TRP 57 -16.202 9.038 3.357 454 HH2 TRP 57 HH2 TRP 57 -14.322 9.098 4.920 455 H THR 58 H THR 58 -12.541 11.373 -0.990 456 HA THR 58 HA THR 58 -14.786 12.582 0.372 457 HB THR 58 HB THR 58 -13.057 14.057 1.383 458 HG1 THR 58 HG1 THR 58 -10.798 13.295 0.751 459 HG21 THR 58 HG21 THR 58 -12.195 11.157 1.326 460 HG22 THR 58 HG22 THR 58 -13.464 11.817 2.360 461 HG23 THR 58 HG23 THR 58 -11.796 12.345 2.564 462 H GLN 59 H GLN 59 -12.975 13.207 -2.558 463 HA GLN 59 HA GLN 59 -13.625 16.036 -2.726 464 HB2 GLN 59 HB2 GLN 59 -12.469 14.170 -4.852 465 HB3 GLN 59 HB3 GLN 59 -12.593 15.924 -4.983 466 HG2 GLN 59 HG2 GLN 59 -10.828 14.318 -3.138 467 HG3 GLN 59 HG3 GLN 59 -10.335 15.416 -4.423 468 HE21 GLN 59 HE21 GLN 59 -11.290 15.134 -1.105 469 HE22 GLN 59 HE22 GLN 59 -11.084 16.797 -0.675 470 H VAL 60 H VAL 60 -14.811 13.020 -4.154 471 HA VAL 60 HA VAL 60 -16.612 14.196 -6.017 472 HB VAL 60 HB VAL 60 -17.591 11.974 -6.265 473 HG11 VAL 60 HG11 VAL 60 -14.562 11.780 -5.965 474 HG12 VAL 60 HG12 VAL 60 -15.431 12.361 -7.389 475 HG13 VAL 60 HG13 VAL 60 -15.581 10.672 -6.896 476 HG21 VAL 60 HG21 VAL 60 -17.739 11.291 -3.894 477 HG22 VAL 60 HG22 VAL 60 -15.984 11.117 -3.820 478 HG23 VAL 60 HG23 VAL 60 -16.934 10.050 -4.855 479 H GLN 61 H GLN 61 -18.937 14.242 -5.932 480 HA GLN 61 HA GLN 61 -19.977 15.086 -3.341 481 HB2 GLN 61 HB2 GLN 61 -21.951 15.866 -4.624 482 HB3 GLN 61 HB3 GLN 61 -20.444 16.500 -5.269 483 HG2 GLN 61 HG2 GLN 61 -20.524 14.835 -7.095 484 HG3 GLN 61 HG3 GLN 61 -22.043 14.210 -6.451 485 HE21 GLN 61 HE21 GLN 61 -23.142 14.681 -8.355 486 HE22 GLN 61 HE22 GLN 61 -23.551 16.290 -8.827 487 H ASP 62 H ASP 62 -19.807 12.174 -4.964 488 HA ASP 62 HA ASP 62 -22.234 10.865 -4.484 489 HB2 ASP 62 HB2 ASP 62 -20.494 9.914 -5.924 490 HB3 ASP 62 HB3 ASP 62 -19.371 9.807 -4.571 491 H VAL 63 H VAL 63 -19.378 11.269 -2.416 492 HA VAL 63 HA VAL 63 -20.274 9.651 -0.247 493 HB VAL 63 HB VAL 63 -17.854 10.265 -0.715 494 HG11 VAL 63 HG11 VAL 63 -16.955 12.417 0.122 495 HG12 VAL 63 HG12 VAL 63 -18.588 12.957 0.507 496 HG13 VAL 63 HG13 VAL 63 -18.127 12.687 -1.173 497 HG21 VAL 63 HG21 VAL 63 -17.185 10.421 1.656 498 HG22 VAL 63 HG22 VAL 63 -18.507 9.270 1.440 499 HG23 VAL 63 HG23 VAL 63 -18.832 10.881 2.094 500 H VAL 64 H VAL 64 -20.993 10.371 1.845 501 HA VAL 64 HA VAL 64 -22.398 12.964 1.935 502 HB VAL 64 HB VAL 64 -22.692 10.558 3.803 503 HG11 VAL 64 HG11 VAL 64 -24.750 11.707 4.615 504 HG12 VAL 64 HG12 VAL 64 -24.379 13.088 3.585 505 HG13 VAL 64 HG13 VAL 64 -23.302 12.673 4.918 506 HG21 VAL 64 HG21 VAL 64 -24.513 11.428 1.519 507 HG22 VAL 64 HG22 VAL 64 -24.841 10.109 2.648 508 HG23 VAL 64 HG23 VAL 64 -23.480 9.995 1.530 509 H LEU 65 H LEU 65 -20.539 14.195 2.276 510 HA LEU 65 HA LEU 65 -19.567 14.297 5.068 511 HB2 LEU 65 HB2 LEU 65 -17.852 14.587 2.558 512 HB3 LEU 65 HB3 LEU 65 -17.301 15.072 4.159 513 HG LEU 65 HG LEU 65 -17.971 12.218 3.322 514 HD11 LEU 65 HD11 LEU 65 -15.552 11.817 3.395 515 HD12 LEU 65 HD12 LEU 65 -15.257 13.520 3.753 516 HD13 LEU 65 HD13 LEU 65 -15.947 13.049 2.198 517 HD21 LEU 65 HD21 LEU 65 -16.779 13.290 5.899 518 HD22 LEU 65 HD22 LEU 65 -16.940 11.580 5.474 519 HD23 LEU 65 HD23 LEU 65 -18.381 12.570 5.700 520 H THR 66 H THR 66 -18.850 16.516 5.612 521 HA THR 66 HA THR 66 -20.502 18.570 4.312 522 HB THR 66 HB THR 66 -19.979 19.993 6.228 523 HG1 THR 66 HG1 THR 66 -18.587 18.410 7.840 524 HG21 THR 66 HG21 THR 66 -20.896 18.653 8.084 525 HG22 THR 66 HG22 THR 66 -20.531 17.160 7.221 526 HG23 THR 66 HG23 THR 66 -21.756 18.269 6.592 527 H ALA 67 H ALA 67 -19.525 20.683 3.761 528 HA ALA 67 HA ALA 67 -17.402 20.501 1.962 529 HB1 ALA 67 HB1 ALA 67 -17.421 22.964 1.923 530 HB2 ALA 67 HB2 ALA 67 -18.386 22.988 3.404 531 HB3 ALA 67 HB3 ALA 67 -19.063 22.309 1.921 532 H ASP 68 H ASP 68 -17.353 21.687 5.315 533 HA ASP 68 HA ASP 68 -14.724 22.302 5.792 534 HB2 ASP 68 HB2 ASP 68 -16.486 22.519 7.492 535 HB3 ASP 68 HB3 ASP 68 -16.628 20.772 7.613 536 H GLN 69 H GLN 69 -16.126 19.071 6.184 537 HA GLN 69 HA GLN 69 -13.801 17.618 6.847 538 HB2 GLN 69 HB2 GLN 69 -16.362 16.678 5.482 539 HB3 GLN 69 HB3 GLN 69 -15.123 15.579 6.091 540 HG2 GLN 69 HG2 GLN 69 -15.494 16.394 8.377 541 HG3 GLN 69 HG3 GLN 69 -16.683 17.552 7.782 542 HE21 GLN 69 HE21 GLN 69 -16.037 14.137 8.275 543 HE22 GLN 69 HE22 GLN 69 -17.682 13.623 8.206 544 H LYS 70 H LYS 70 -15.348 18.072 3.708 545 HA LYS 70 HA LYS 70 -13.594 16.430 2.158 546 HB2 LYS 70 HB2 LYS 70 -15.463 18.643 1.196 547 HB3 LYS 70 HB3 LYS 70 -14.807 17.328 0.217 548 HG2 LYS 70 HG2 LYS 70 -16.054 15.683 1.482 549 HG3 LYS 70 HG3 LYS 70 -16.581 16.903 2.629 550 HD2 LYS 70 HD2 LYS 70 -18.492 16.854 1.394 551 HD3 LYS 70 HD3 LYS 70 -17.627 17.987 0.365 552 HE2 LYS 70 HE2 LYS 70 -17.501 15.002 -0.138 553 HE3 LYS 70 HE3 LYS 70 -18.831 15.967 -0.757 554 HZ1 LYS 70 HZ1 LYS 70 -15.960 16.390 -1.352 555 HZ2 LYS 70 HZ2 LYS 70 -17.234 17.313 -1.963 556 HZ3 LYS 70 HZ3 LYS 70 -17.093 15.685 -2.388 557 H ALA 71 H ALA 71 -13.360 19.683 3.296 558 HA ALA 71 HA ALA 71 -11.625 20.667 1.124 559 HB1 ALA 71 HB1 ALA 71 -13.303 22.221 2.052 560 HB2 ALA 71 HB2 ALA 71 -11.667 22.818 2.347 561 HB3 ALA 71 HB3 ALA 71 -12.584 22.062 3.656 562 H THR 72 H THR 72 -11.524 20.152 4.608 563 HA THR 72 HA THR 72 -8.863 20.299 5.240 564 HB THR 72 HB THR 72 -10.710 18.079 6.253 565 HG1 THR 72 HG1 THR 72 -11.701 19.599 7.365 566 HG21 THR 72 HG21 THR 72 -8.334 17.783 6.928 567 HG22 THR 72 HG22 THR 72 -9.359 18.180 8.310 568 HG23 THR 72 HG23 THR 72 -8.329 19.421 7.589 569 H TRP 73 H TRP 73 -10.492 17.460 3.823 570 HA TRP 73 HA TRP 73 -8.167 15.899 3.332 571 HB2 TRP 73 HB2 TRP 73 -10.981 15.864 2.214 572 HB3 TRP 73 HB3 TRP 73 -9.745 14.814 1.542 573 HD1 TRP 73 HD1 TRP 73 -12.116 15.070 4.516 574 HE1 TRP 73 HE1 TRP 73 -11.883 12.929 5.917 575 HE3 TRP 73 HE3 TRP 73 -7.906 13.074 2.351 576 HZ2 TRP 73 HZ2 TRP 73 -10.175 10.695 6.089 577 HZ3 TRP 73 HZ3 TRP 73 -7.050 10.926 3.199 578 HH2 TRP 73 HH2 TRP 73 -8.164 9.765 5.034 579 H ALA 74 H ALA 74 -9.900 18.308 1.346 580 HA ALA 74 HA ALA 74 -8.575 17.905 -1.114 581 HB1 ALA 74 HB1 ALA 74 -9.465 20.101 -1.764 582 HB2 ALA 74 HB2 ALA 74 -9.840 20.462 -0.076 583 HB3 ALA 74 HB3 ALA 74 -10.685 19.158 -0.904 584 H LYS 75 H LYS 75 -7.680 19.793 1.711 585 HA LYS 75 HA LYS 75 -5.484 21.150 0.340 586 HB2 LYS 75 HB2 LYS 75 -6.456 21.279 3.231 587 HB3 LYS 75 HB3 LYS 75 -5.105 22.221 2.586 588 HG2 LYS 75 HG2 LYS 75 -6.662 23.277 0.950 589 HG3 LYS 75 HG3 LYS 75 -7.998 22.377 1.677 590 HD2 LYS 75 HD2 LYS 75 -7.625 23.546 3.825 591 HD3 LYS 75 HD3 LYS 75 -6.270 24.433 3.113 592 HE2 LYS 75 HE2 LYS 75 -7.881 25.422 1.440 593 HE3 LYS 75 HE3 LYS 75 -9.201 24.629 2.307 594 HZ1 LYS 75 HZ1 LYS 75 -7.342 26.634 3.459 595 HZ2 LYS 75 HZ2 LYS 75 -8.631 25.893 4.266 596 HZ3 LYS 75 HZ3 LYS 75 -8.931 26.929 2.968 597 H TYR 76 H TYR 76 -6.065 18.336 2.267 598 HA TYR 76 HA TYR 76 -3.412 17.809 3.163 599 HB2 TYR 76 HB2 TYR 76 -5.037 16.588 4.335 600 HB3 TYR 76 HB3 TYR 76 -5.990 16.253 2.899 601 HD1 TYR 76 HD2 TYR 76 -2.678 15.347 4.460 602 HD2 TYR 76 HD1 TYR 76 -5.934 14.081 1.989 603 HE1 TYR 76 HE2 TYR 76 -1.735 13.082 4.332 604 HE2 TYR 76 HE1 TYR 76 -4.977 11.835 1.858 605 HH TYR 76 HH TYR 76 -2.685 10.739 3.945 606 H ARG 77 H ARG 77 -5.290 16.678 0.341 607 HA ARG 77 HA ARG 77 -3.183 15.073 -0.743 608 HB2 ARG 77 HB2 ARG 77 -4.654 14.937 -2.794 609 HB3 ARG 77 HB3 ARG 77 -5.432 14.442 -1.295 610 HG2 ARG 77 HG2 ARG 77 -6.616 16.616 -1.194 611 HG3 ARG 77 HG3 ARG 77 -5.825 17.117 -2.691 612 HD2 ARG 77 HD2 ARG 77 -7.697 14.734 -2.416 613 HD3 ARG 77 HD3 ARG 77 -8.165 16.326 -3.022 614 HE ARG 77 HE ARG 77 -6.224 15.786 -4.711 615 HH11 ARG 77 HH11 ARG 77 -8.668 13.523 -3.616 616 HH12 ARG 77 HH12 ARG 77 -8.693 12.667 -5.127 617 HH21 ARG 77 HH21 ARG 77 -6.301 14.690 -6.655 618 HH22 ARG 77 HH22 ARG 77 -7.357 13.330 -6.842 619 H GLN 78 H GLN 78 -4.403 18.348 -1.511 620 HA GLN 78 HA GLN 78 -2.703 18.907 -3.663 621 HB2 GLN 78 HB2 GLN 78 -4.775 20.190 -2.948 622 HB3 GLN 78 HB3 GLN 78 -3.822 20.922 -1.668 623 HG2 GLN 78 HG2 GLN 78 -4.026 22.442 -3.568 624 HG3 GLN 78 HG3 GLN 78 -2.346 21.961 -3.341 625 HE21 GLN 78 HE21 GLN 78 -4.715 19.835 -4.882 626 HE22 GLN 78 HE22 GLN 78 -4.062 19.970 -6.471 627 H ALA 79 H ALA 79 -2.295 19.596 -0.170 628 HA ALA 79 HA ALA 79 0.166 20.968 -0.335 629 HB1 ALA 79 HB1 ALA 79 0.381 20.573 2.067 630 HB2 ALA 79 HB2 ALA 79 -0.898 19.355 1.990 631 HB3 ALA 79 HB3 ALA 79 -1.271 21.043 1.654 632 H LEU 80 H LEU 80 -0.588 17.547 -0.409 633 HA LEU 80 HA LEU 80 2.023 16.564 0.165 634 HB2 LEU 80 HB2 LEU 80 -0.063 15.280 0.485 635 HB3 LEU 80 HB3 LEU 80 -0.366 15.311 -1.237 636 HG LEU 80 HG LEU 80 2.172 14.008 -0.218 637 HD11 LEU 80 HD11 LEU 80 0.437 13.032 1.171 638 HD12 LEU 80 HD12 LEU 80 1.008 11.859 -0.013 639 HD13 LEU 80 HD13 LEU 80 -0.544 12.666 -0.252 640 HD21 LEU 80 HD21 LEU 80 1.867 12.538 -2.193 641 HD22 LEU 80 HD22 LEU 80 1.968 14.229 -2.658 642 HD23 LEU 80 HD23 LEU 80 0.401 13.418 -2.631 643 H ARG 81 H ARG 81 0.167 17.282 -2.811 644 HA ARG 81 HA ARG 81 2.120 16.550 -4.724 645 HB2 ARG 81 HB2 ARG 81 -0.038 18.695 -4.846 646 HB3 ARG 81 HB3 ARG 81 0.918 18.186 -6.238 647 HG2 ARG 81 HG2 ARG 81 -0.026 15.944 -6.109 648 HG3 ARG 81 HG3 ARG 81 -0.923 16.377 -4.645 649 HD2 ARG 81 HD2 ARG 81 -2.315 16.423 -6.722 650 HD3 ARG 81 HD3 ARG 81 -2.281 17.966 -5.872 651 HE ARG 81 HE ARG 81 -0.489 18.583 -7.586 652 HH11 ARG 81 HH11 ARG 81 -3.067 16.355 -8.400 653 HH12 ARG 81 HH12 ARG 81 -3.103 16.826 -10.069 654 HH21 ARG 81 HH21 ARG 81 -0.552 19.180 -9.768 655 HH22 ARG 81 HH22 ARG 81 -1.683 18.421 -10.835 656 H ASP 82 H ASP 82 1.638 19.483 -2.831 657 HA ASP 82 HA ASP 82 3.705 21.034 -4.181 658 HB2 ASP 82 HB2 ASP 82 1.846 21.676 -1.847 659 HB3 ASP 82 HB3 ASP 82 3.034 22.812 -2.482 660 H LEU 83 H LEU 83 4.218 18.522 -2.268 661 HA LEU 83 HA LEU 83 5.633 19.503 -0.034 662 HB2 LEU 83 HB2 LEU 83 6.618 17.284 0.243 663 HB3 LEU 83 HB3 LEU 83 4.909 17.183 -0.094 664 HG LEU 83 HG LEU 83 5.607 16.554 -2.531 665 HD11 LEU 83 HD11 LEU 83 7.978 17.118 -2.462 666 HD12 LEU 83 HD12 LEU 83 7.758 15.404 -2.797 667 HD13 LEU 83 HD13 LEU 83 8.250 15.932 -1.184 668 HD21 LEU 83 HD21 LEU 83 5.792 14.178 -1.948 669 HD22 LEU 83 HD22 LEU 83 4.572 14.982 -0.968 670 HD23 LEU 83 HD23 LEU 83 6.147 14.600 -0.270 671 HA PRO 84 HA PRO 84 9.394 21.158 -1.882 672 HB2 PRO 84 HB2 PRO 84 10.802 20.375 0.655 673 HB3 PRO 84 HB3 PRO 84 10.604 21.972 -0.081 674 HG2 PRO 84 HG2 PRO 84 9.224 21.285 2.122 675 HG3 PRO 84 HG3 PRO 84 8.488 22.295 0.857 676 HD2 PRO 84 HD2 PRO 84 8.132 19.334 1.367 677 HD3 PRO 84 HD3 PRO 84 6.909 20.566 0.978 678 H GLU 85 H GLU 85 11.463 20.508 -2.676 679 HA GLU 85 HA GLU 85 11.988 17.597 -2.726 680 HB2 GLU 85 HB2 GLU 85 13.133 19.832 -4.463 681 HB3 GLU 85 HB3 GLU 85 13.420 18.106 -4.672 682 HG2 GLU 85 HG2 GLU 85 10.773 19.545 -5.016 683 HG3 GLU 85 HG3 GLU 85 11.807 18.934 -6.304 684 H THR 86 H THR 86 12.736 19.946 -0.723 685 HA THR 86 HA THR 86 15.582 20.097 -0.673 686 HB THR 86 HB THR 86 15.214 21.217 1.570 687 HG1 THR 86 HG1 THR 86 13.362 20.252 2.339 688 HG21 THR 86 HG21 THR 86 14.038 23.210 0.703 689 HG22 THR 86 HG22 THR 86 13.425 22.277 -0.663 690 HG23 THR 86 HG23 THR 86 15.156 22.580 -0.506 691 H VAL 87 H VAL 87 16.417 18.009 -0.596 692 HA VAL 87 HA VAL 87 17.210 16.071 0.231 693 HB VAL 87 HB VAL 87 16.651 17.317 2.960 694 HG11 VAL 87 HG11 VAL 87 18.427 15.810 3.834 695 HG12 VAL 87 HG12 VAL 87 18.529 15.026 2.257 696 HG13 VAL 87 HG13 VAL 87 17.046 14.906 3.206 697 HG21 VAL 87 HG21 VAL 87 19.189 17.424 1.272 698 HG22 VAL 87 HG22 VAL 87 19.027 18.061 2.910 699 HG23 VAL 87 HG23 VAL 87 18.096 18.778 1.593 700 H THR 88 H THR 88 15.200 15.347 -0.843 701 HA THR 88 HA THR 88 13.872 13.376 0.854 702 HB THR 88 HB THR 88 12.251 15.240 -0.962 703 HG1 THR 88 HG1 THR 88 12.702 15.190 1.817 704 HG21 THR 88 HG21 THR 88 10.269 14.054 -0.067 705 HG22 THR 88 HG22 THR 88 11.319 12.972 0.847 706 HG23 THR 88 HG23 THR 88 11.337 12.938 -0.917 707 H ASP 89 H ASP 89 14.914 11.726 -0.182 708 HA ASP 89 HA ASP 89 14.817 11.507 -3.130 709 HB2 ASP 89 HB2 ASP 89 16.613 9.888 -2.935 710 HB3 ASP 89 HB3 ASP 89 17.054 11.317 -2.012 711 H LEU 90 H LEU 90 15.051 8.726 -3.347 712 HA LEU 90 HA LEU 90 12.351 7.942 -3.471 713 HB2 LEU 90 HB2 LEU 90 14.847 6.218 -3.603 714 HB3 LEU 90 HB3 LEU 90 13.252 5.752 -4.184 715 HG LEU 90 HG LEU 90 14.935 8.030 -5.323 716 HD11 LEU 90 HD11 LEU 90 15.920 5.858 -5.852 717 HD12 LEU 90 HD12 LEU 90 15.253 6.628 -7.290 718 HD13 LEU 90 HD13 LEU 90 14.379 5.302 -6.515 719 HD21 LEU 90 HD21 LEU 90 12.556 8.493 -5.530 720 HD22 LEU 90 HD22 LEU 90 12.278 6.906 -6.255 721 HD23 LEU 90 HD23 LEU 90 13.243 8.114 -7.111 722 H SER 91 H SER 91 14.804 7.382 -1.023 723 HA SER 91 HA SER 91 12.917 5.769 0.599 724 HB2 SER 91 HB2 SER 91 15.147 4.718 0.132 725 HB3 SER 91 HB3 SER 91 15.939 6.095 0.897 726 HG SER 91 HG SER 91 15.176 5.473 2.843 727 H GLN 92 H GLN 92 12.713 6.324 2.836 728 HA GLN 92 HA GLN 92 12.073 7.691 4.496 729 HB2 GLN 92 HB2 GLN 92 14.547 7.898 4.820 730 HB3 GLN 92 HB3 GLN 92 14.551 9.317 3.786 731 HG2 GLN 92 HG2 GLN 92 14.658 9.998 6.120 732 HG3 GLN 92 HG3 GLN 92 13.121 10.511 5.428 733 HE21 GLN 92 HE21 GLN 92 14.667 8.291 7.667 734 HE22 GLN 92 HE22 GLN 92 13.223 7.818 8.492 735 H ILE 93 H ILE 93 10.188 8.218 3.411 736 HA ILE 93 HA ILE 93 10.036 10.568 1.704 737 HB ILE 93 HB ILE 93 7.519 9.846 1.551 738 HG12 ILE 93 HG12 ILE 93 7.186 7.332 1.987 739 HG13 ILE 93 HG13 ILE 93 8.648 7.373 2.960 740 HG21 ILE 93 HG21 ILE 93 9.120 9.538 -0.246 741 HG22 ILE 93 HG22 ILE 93 8.043 8.149 -0.131 742 HG23 ILE 93 HG23 ILE 93 9.693 8.032 0.484 743 HD11 ILE 93 HD11 ILE 93 6.101 8.892 3.518 744 HD12 ILE 93 HD12 ILE 93 7.556 8.899 4.522 745 HD13 ILE 93 HD13 ILE 93 6.642 7.407 4.308 746 H VAL 94 H VAL 94 8.385 12.209 2.018 747 HA VAL 94 HA VAL 94 7.519 12.700 4.758 748 HB VAL 94 HB VAL 94 9.698 13.769 4.804 749 HG11 VAL 94 HG11 VAL 94 8.853 15.419 2.399 750 HG12 VAL 94 HG12 VAL 94 10.085 14.157 2.413 751 HG13 VAL 94 HG13 VAL 94 10.339 15.644 3.328 752 HG21 VAL 94 HG21 VAL 94 9.042 16.061 5.458 753 HG22 VAL 94 HG22 VAL 94 7.891 14.866 6.059 754 HG23 VAL 94 HG23 VAL 94 7.487 15.850 4.648 755 H TRP 95 H TRP 95 5.435 12.999 4.554 756 HA TRP 95 HA TRP 95 4.379 15.106 2.895 757 HB2 TRP 95 HB2 TRP 95 2.383 13.495 2.245 758 HB3 TRP 95 HB3 TRP 95 3.826 13.560 1.256 759 HD1 TRP 95 HD1 TRP 95 2.705 11.315 4.283 760 HE1 TRP 95 HE1 TRP 95 3.279 8.881 3.649 761 HE3 TRP 95 HE3 TRP 95 4.764 12.138 -0.315 762 HZ2 TRP 95 HZ2 TRP 95 4.461 7.509 1.492 763 HZ3 TRP 95 HZ3 TRP 95 5.589 10.214 -1.606 764 HH2 TRP 95 HH2 TRP 95 5.439 7.944 -0.716 765 HA PRO 96 HA PRO 96 1.730 15.643 6.514 766 HB2 PRO 96 HB2 PRO 96 -0.759 16.228 5.443 767 HB3 PRO 96 HB3 PRO 96 0.567 17.395 5.535 768 HG2 PRO 96 HG2 PRO 96 -0.265 15.661 3.197 769 HG3 PRO 96 HG3 PRO 96 0.124 17.400 3.212 770 HD2 PRO 96 HD2 PRO 96 1.953 15.605 2.400 771 HD3 PRO 96 HD3 PRO 96 2.446 17.004 3.382 772 H GLN 97 H GLN 97 0.520 14.347 7.854 773 HA GLN 97 HA GLN 97 -0.502 11.775 6.934 774 HB2 GLN 97 HB2 GLN 97 0.730 11.936 9.084 775 HB3 GLN 97 HB3 GLN 97 -0.469 13.062 9.705 776 HG2 GLN 97 HG2 GLN 97 -2.189 11.290 9.588 777 HG3 GLN 97 HG3 GLN 97 -0.984 10.159 8.982 778 HE21 GLN 97 HE21 GLN 97 0.637 9.410 10.409 779 HE22 GLN 97 HE22 GLN 97 0.449 9.510 12.123 780 H LEU 98 H LEU 98 -2.732 11.278 6.688 781 HA LEU 98 HA LEU 98 -4.527 13.316 6.158 782 HB2 LEU 98 HB2 LEU 98 -6.258 11.334 6.231 783 HB3 LEU 98 HB3 LEU 98 -5.010 11.389 5.006 784 HG LEU 98 HG LEU 98 -3.687 9.708 6.299 785 HD11 LEU 98 HD11 LEU 98 -4.758 8.391 8.088 786 HD12 LEU 98 HD12 LEU 98 -6.113 9.530 8.102 787 HD13 LEU 98 HD13 LEU 98 -4.494 10.072 8.558 788 HD21 LEU 98 HD21 LEU 98 -6.497 8.828 5.559 789 HD22 LEU 98 HD22 LEU 98 -5.081 7.774 5.702 790 HD23 LEU 98 HD23 LEU 98 -5.130 9.012 4.448 791 HA PRO 99 HA PRO 99 -6.422 14.555 10.002 792 HB2 PRO 99 HB2 PRO 99 -9.023 15.072 9.212 793 HB3 PRO 99 HB3 PRO 99 -7.659 16.133 8.840 794 HG2 PRO 99 HG2 PRO 99 -8.927 14.009 7.092 795 HG3 PRO 99 HG3 PRO 99 -8.481 15.680 6.666 796 HD2 PRO 99 HD2 PRO 99 -6.887 13.613 6.004 797 HD3 PRO 99 HD3 PRO 99 -6.190 15.164 6.530 798 H VAL 100 H VAL 100 -8.116 12.049 8.151 799 HA VAL 100 HA VAL 100 -9.395 10.974 10.598 800 HB VAL 100 HB VAL 100 -10.243 10.522 7.704 801 HG11 VAL 100 HG11 VAL 100 -12.382 9.694 8.691 802 HG12 VAL 100 HG12 VAL 100 -11.699 9.894 10.308 803 HG13 VAL 100 HG13 VAL 100 -10.991 8.725 9.189 804 HG21 VAL 100 HG21 VAL 100 -11.426 12.503 9.703 805 HG22 VAL 100 HG22 VAL 100 -12.117 12.116 8.123 806 HG23 VAL 100 HG23 VAL 100 -10.542 12.910 8.228 Start of MODEL 17 1 H MET 1 H MET 1 4.409 -5.576 5.331 2 HA MET 1 HA MET 1 5.401 -4.513 3.441 3 HB2 MET 1 HB2 MET 1 6.740 -2.847 4.755 4 HB3 MET 1 HB3 MET 1 7.835 -4.136 5.233 5 HG2 MET 1 HG2 MET 1 7.399 -3.296 2.353 6 HG3 MET 1 HG3 MET 1 8.672 -2.652 3.384 7 HE1 MET 1 HE1 MET 1 10.629 -3.429 1.610 8 HE2 MET 1 HE2 MET 1 9.247 -3.825 0.590 9 HE3 MET 1 HE3 MET 1 10.544 -4.999 0.813 10 H LEU 2 H LEU 2 5.645 -6.247 2.193 11 HA LEU 2 HA LEU 2 7.698 -8.282 2.863 12 HB2 LEU 2 HB2 LEU 2 6.219 -9.998 1.765 13 HB3 LEU 2 HB3 LEU 2 5.626 -9.350 3.276 14 HG LEU 2 HG LEU 2 4.122 -7.811 1.805 15 HD11 LEU 2 HD11 LEU 2 5.131 -8.207 -0.377 16 HD12 LEU 2 HD12 LEU 2 3.446 -8.718 -0.369 17 HD13 LEU 2 HD13 LEU 2 4.733 -9.923 -0.273 18 HD21 LEU 2 HD21 LEU 2 2.370 -9.532 1.693 19 HD22 LEU 2 HD22 LEU 2 3.251 -9.594 3.216 20 HD23 LEU 2 HD23 LEU 2 3.587 -10.785 1.958 21 H LEU 3 H LEU 3 8.931 -9.137 1.123 22 HA LEU 3 HA LEU 3 9.359 -7.513 -1.134 23 HB2 LEU 3 HB2 LEU 3 10.241 -10.396 -0.738 24 HB3 LEU 3 HB3 LEU 3 11.046 -9.159 -1.696 25 HG LEU 3 HG LEU 3 10.844 -9.170 1.351 26 HD11 LEU 3 HD11 LEU 3 13.241 -9.830 -0.383 27 HD12 LEU 3 HD12 LEU 3 12.277 -10.987 0.542 28 HD13 LEU 3 HD13 LEU 3 13.208 -9.749 1.382 29 HD21 LEU 3 HD21 LEU 3 12.425 -7.317 -0.468 30 HD22 LEU 3 HD22 LEU 3 12.481 -7.335 1.298 31 HD23 LEU 3 HD23 LEU 3 10.992 -6.890 0.472 32 H HIS 4 H HIS 4 7.452 -7.403 -2.456 33 HA HIS 4 HA HIS 4 5.906 -9.386 -3.507 34 HB2 HIS 4 HB2 HIS 4 5.524 -6.994 -3.862 35 HB3 HIS 4 HB3 HIS 4 6.945 -6.886 -4.889 36 HD1 HIS 4 HD1 HIS 4 3.359 -7.991 -4.892 37 HD2 HIS 4 HD2 HIS 4 6.556 -7.767 -7.547 38 HE1 HIS 4 HE1 HIS 4 2.368 -8.360 -7.178 39 HE2 HIS 4 HE2 HIS 4 4.352 -8.429 -8.730 40 H SER 5 H SER 5 9.279 -8.927 -4.273 41 HA SER 5 HA SER 5 9.347 -11.496 -5.586 42 HB2 SER 5 HB2 SER 5 10.504 -10.683 -7.657 43 HB3 SER 5 HB3 SER 5 8.845 -10.090 -7.562 44 HG SER 5 HG SER 5 11.208 -8.664 -6.878 45 H VAL 6 H VAL 6 11.247 -12.496 -5.050 46 HA VAL 6 HA VAL 6 13.675 -10.936 -4.555 47 HB VAL 6 HB VAL 6 12.656 -11.090 -2.316 48 HG11 VAL 6 HG11 VAL 6 12.801 -14.110 -2.595 49 HG12 VAL 6 HG12 VAL 6 11.326 -13.144 -2.606 50 HG13 VAL 6 HG13 VAL 6 12.313 -13.225 -1.145 51 HG21 VAL 6 HG21 VAL 6 15.135 -11.093 -2.489 52 HG22 VAL 6 HG22 VAL 6 15.130 -12.859 -2.532 53 HG23 VAL 6 HG23 VAL 6 14.590 -12.014 -1.081 54 H GLU 7 H GLU 7 15.488 -11.949 -5.190 55 HA GLU 7 HA GLU 7 15.304 -14.428 -6.635 56 HB2 GLU 7 HB2 GLU 7 17.776 -12.741 -6.040 57 HB3 GLU 7 HB3 GLU 7 17.654 -14.031 -7.237 58 HG2 GLU 7 HG2 GLU 7 16.047 -12.739 -8.529 59 HG3 GLU 7 HG3 GLU 7 16.042 -11.460 -7.312 60 H THR 8 H THR 8 15.720 -16.373 -5.880 61 HA THR 8 HA THR 8 17.110 -16.806 -3.292 62 HB THR 8 HB THR 8 15.562 -18.762 -2.954 63 HG1 THR 8 HG1 THR 8 14.087 -17.721 -5.161 64 HG21 THR 8 HG21 THR 8 14.949 -16.601 -1.939 65 HG22 THR 8 HG22 THR 8 13.519 -17.510 -2.409 66 HG23 THR 8 HG23 THR 8 14.067 -16.156 -3.399 67 HA PRO 9 HA PRO 9 19.793 -19.844 -5.434 68 HB2 PRO 9 HB2 PRO 9 19.030 -21.780 -3.246 69 HB3 PRO 9 HB3 PRO 9 20.636 -21.329 -3.844 70 HG2 PRO 9 HG2 PRO 9 19.743 -20.355 -1.523 71 HG3 PRO 9 HG3 PRO 9 20.670 -19.323 -2.635 72 HD2 PRO 9 HD2 PRO 9 17.701 -19.365 -2.112 73 HD3 PRO 9 HD3 PRO 9 18.776 -17.982 -2.409 74 H ARG 10 H ARG 10 16.611 -20.784 -4.307 75 HA ARG 10 HA ARG 10 16.329 -23.073 -6.095 76 HB2 ARG 10 HB2 ARG 10 14.085 -23.320 -4.971 77 HB3 ARG 10 HB3 ARG 10 15.457 -23.336 -3.871 78 HG2 ARG 10 HG2 ARG 10 14.980 -20.868 -3.413 79 HG3 ARG 10 HG3 ARG 10 13.467 -21.080 -4.301 80 HD2 ARG 10 HD2 ARG 10 14.289 -22.623 -1.815 81 HD3 ARG 10 HD3 ARG 10 13.177 -21.255 -1.846 82 HE ARG 10 HE ARG 10 12.017 -22.990 -3.559 83 HH11 ARG 10 HH11 ARG 10 13.194 -23.443 -0.255 84 HH12 ARG 10 HH12 ARG 10 11.981 -24.623 0.122 85 HH21 ARG 10 HH21 ARG 10 10.468 -24.535 -3.035 86 HH22 ARG 10 HH22 ARG 10 10.442 -25.241 -1.451 87 H GLY 11 H GLY 11 15.878 -19.764 -6.503 88 HA2 GLY 11 HA2 GLY 11 15.311 -19.519 -9.035 89 HA3 GLY 11 HA3 GLY 11 13.721 -20.052 -8.508 90 H GLU 12 H GLU 12 12.329 -18.375 -8.256 91 HA GLU 12 HA GLU 12 13.188 -16.047 -6.663 92 HB2 GLU 12 HB2 GLU 12 13.233 -15.280 -9.033 93 HB3 GLU 12 HB3 GLU 12 11.581 -15.848 -9.266 94 HG2 GLU 12 HG2 GLU 12 10.797 -14.191 -7.580 95 HG3 GLU 12 HG3 GLU 12 12.456 -13.616 -7.401 96 H ILE 13 H ILE 13 11.373 -15.061 -5.510 97 HA ILE 13 HA ILE 13 9.007 -16.818 -5.239 98 HB ILE 13 HB ILE 13 10.453 -15.488 -2.890 99 HG12 ILE 13 HG12 ILE 13 11.827 -17.355 -3.730 100 HG13 ILE 13 HG13 ILE 13 11.138 -17.755 -2.165 101 HG21 ILE 13 HG21 ILE 13 8.904 -16.811 -1.483 102 HG22 ILE 13 HG22 ILE 13 8.096 -17.417 -2.930 103 HG23 ILE 13 HG23 ILE 13 8.038 -15.696 -2.542 104 HD11 ILE 13 HD11 ILE 13 10.195 -18.756 -4.842 105 HD12 ILE 13 HD12 ILE 13 9.470 -19.157 -3.283 106 HD13 ILE 13 HD13 ILE 13 11.122 -19.653 -3.640 107 H LEU 14 H LEU 14 7.233 -15.682 -5.588 108 HA LEU 14 HA LEU 14 7.251 -12.757 -5.636 109 HB2 LEU 14 HB2 LEU 14 5.136 -14.767 -6.516 110 HB3 LEU 14 HB3 LEU 14 5.053 -13.027 -6.772 111 HG LEU 14 HG LEU 14 7.149 -14.878 -7.995 112 HD11 LEU 14 HD11 LEU 14 5.998 -14.490 -10.124 113 HD12 LEU 14 HD12 LEU 14 4.748 -13.556 -9.295 114 HD13 LEU 14 HD13 LEU 14 4.942 -15.281 -8.956 115 HD21 LEU 14 HD21 LEU 14 6.669 -11.911 -8.463 116 HD22 LEU 14 HD22 LEU 14 7.813 -12.922 -9.349 117 HD23 LEU 14 HD23 LEU 14 8.050 -12.627 -7.630 118 H ASN 15 H ASN 15 6.676 -11.725 -3.851 119 HA ASN 15 HA ASN 15 5.536 -10.897 -2.111 120 HB2 ASN 15 HB2 ASN 15 3.338 -12.802 -2.981 121 HB3 ASN 15 HB3 ASN 15 3.147 -11.555 -1.753 122 HD21 ASN 15 HD21 ASN 15 3.568 -12.173 -5.169 123 HD22 ASN 15 HD22 ASN 15 3.142 -10.592 -5.715 124 H VAL 16 H VAL 16 6.972 -11.538 -0.611 125 HA VAL 16 HA VAL 16 6.151 -13.589 1.267 126 HB VAL 16 HB VAL 16 7.520 -14.898 -0.335 127 HG11 VAL 16 HG11 VAL 16 9.937 -14.457 -0.641 128 HG12 VAL 16 HG12 VAL 16 9.783 -12.972 0.304 129 HG13 VAL 16 HG13 VAL 16 8.946 -13.122 -1.243 130 HG21 VAL 16 HG21 VAL 16 9.145 -15.875 1.253 131 HG22 VAL 16 HG22 VAL 16 7.600 -15.547 2.043 132 HG23 VAL 16 HG23 VAL 16 8.974 -14.469 2.305 133 H SER 17 H SER 17 6.817 -13.109 3.356 134 HA SER 17 HA SER 17 7.962 -10.580 3.975 135 HB2 SER 17 HB2 SER 17 8.008 -11.408 6.316 136 HB3 SER 17 HB3 SER 17 6.463 -11.769 5.546 137 HG SER 17 HG SER 17 6.846 -13.827 5.772 138 H GLU 18 H GLU 18 10.049 -10.088 4.739 139 HA GLU 18 HA GLU 18 12.300 -11.383 3.694 140 HB2 GLU 18 HB2 GLU 18 12.043 -9.517 6.077 141 HB3 GLU 18 HB3 GLU 18 13.589 -10.033 5.404 142 HG2 GLU 18 HG2 GLU 18 13.000 -8.989 3.247 143 HG3 GLU 18 HG3 GLU 18 11.465 -8.456 3.930 144 H GLN 19 H GLN 19 10.529 -11.987 6.641 145 HA GLN 19 HA GLN 19 12.341 -13.555 8.125 146 HB2 GLN 19 HB2 GLN 19 9.301 -13.758 8.001 147 HB3 GLN 19 HB3 GLN 19 10.315 -14.414 9.283 148 HG2 GLN 19 HG2 GLN 19 9.991 -11.474 8.616 149 HG3 GLN 19 HG3 GLN 19 9.196 -12.317 9.943 150 HE21 GLN 19 HE21 GLN 19 11.003 -10.014 10.045 151 HE22 GLN 19 HE22 GLN 19 12.327 -10.481 11.053 152 H GLU 20 H GLU 20 9.651 -14.635 6.014 153 HA GLU 20 HA GLU 20 10.343 -17.406 6.117 154 HB2 GLU 20 HB2 GLU 20 8.036 -16.726 5.760 155 HB3 GLU 20 HB3 GLU 20 8.465 -15.862 4.290 156 HG2 GLU 20 HG2 GLU 20 8.965 -17.953 3.156 157 HG3 GLU 20 HG3 GLU 20 8.703 -18.857 4.636 158 H ALA 21 H ALA 21 10.832 -14.865 3.674 159 HA ALA 21 HA ALA 21 12.164 -16.118 1.664 160 HB1 ALA 21 HB1 ALA 21 12.980 -13.459 2.884 161 HB2 ALA 21 HB2 ALA 21 11.709 -13.699 1.682 162 HB3 ALA 21 HB3 ALA 21 13.392 -14.025 1.260 163 H ARG 22 H ARG 22 13.711 -15.001 4.716 164 HA ARG 22 HA ARG 22 16.269 -16.156 4.084 165 HB2 ARG 22 HB2 ARG 22 15.149 -15.099 6.711 166 HB3 ARG 22 HB3 ARG 22 16.800 -15.689 6.526 167 HG2 ARG 22 HG2 ARG 22 17.162 -13.914 4.781 168 HG3 ARG 22 HG3 ARG 22 15.563 -13.276 5.169 169 HD2 ARG 22 HD2 ARG 22 17.266 -11.996 6.343 170 HD3 ARG 22 HD3 ARG 22 16.310 -12.903 7.518 171 HE ARG 22 HE ARG 22 18.673 -14.315 6.712 172 HH11 ARG 22 HH11 ARG 22 17.569 -11.782 8.907 173 HH12 ARG 22 HH12 ARG 22 18.900 -12.004 9.991 174 HH21 ARG 22 HH21 ARG 22 20.397 -14.560 8.137 175 HH22 ARG 22 HH22 ARG 22 20.507 -13.564 9.554 176 H ASP 23 H ASP 23 13.449 -17.283 5.955 177 HA ASP 23 HA ASP 23 14.928 -19.316 7.399 178 HB2 ASP 23 HB2 ASP 23 13.005 -18.100 8.421 179 HB3 ASP 23 HB3 ASP 23 11.923 -18.783 7.218 180 H VAL 24 H VAL 24 12.111 -19.489 5.211 181 HA VAL 24 HA VAL 24 12.330 -22.339 4.862 182 HB VAL 24 HB VAL 24 10.463 -20.277 3.585 183 HG11 VAL 24 HG11 VAL 24 10.264 -23.315 3.536 184 HG12 VAL 24 HG12 VAL 24 10.570 -22.264 2.150 185 HG13 VAL 24 HG13 VAL 24 9.012 -22.199 2.971 186 HG21 VAL 24 HG21 VAL 24 10.201 -20.424 6.033 187 HG22 VAL 24 HG22 VAL 24 9.997 -22.174 5.917 188 HG23 VAL 24 HG23 VAL 24 8.785 -21.100 5.214 189 H PHE 25 H PHE 25 12.777 -19.480 2.792 190 HA PHE 25 HA PHE 25 13.391 -21.143 0.464 191 HB2 PHE 25 HB2 PHE 25 13.141 -18.116 0.711 192 HB3 PHE 25 HB3 PHE 25 13.302 -19.018 -0.800 193 HD1 PHE 25 HD1 PHE 25 11.513 -21.134 -0.871 194 HD2 PHE 25 HD2 PHE 25 10.935 -17.400 1.124 195 HE1 PHE 25 HE1 PHE 25 9.077 -21.437 -0.989 196 HE2 PHE 25 HE2 PHE 25 8.505 -17.722 0.999 197 HZ PHE 25 HZ PHE 25 7.578 -19.733 -0.050 198 H GLY 26 H GLY 26 15.123 -19.292 2.845 199 HA2 GLY 26 HA2 GLY 26 17.357 -18.906 3.195 200 HA3 GLY 26 HA3 GLY 26 17.665 -20.255 2.108 201 H ALA 27 H ALA 27 16.260 -17.021 1.686 202 HA ALA 27 HA ALA 27 17.059 -16.803 -1.024 203 HB1 ALA 27 HB1 ALA 27 16.062 -14.556 -0.897 204 HB2 ALA 27 HB2 ALA 27 15.988 -14.681 0.864 205 HB3 ALA 27 HB3 ALA 27 15.019 -15.762 -0.136 206 H SER 28 H SER 28 18.460 -15.334 -2.007 207 HA SER 28 HA SER 28 20.963 -14.758 -0.839 208 HB2 SER 28 HB2 SER 28 19.632 -13.416 -3.242 209 HB3 SER 28 HB3 SER 28 21.365 -13.490 -2.905 210 HG SER 28 HG SER 28 20.552 -15.074 -4.433 211 H GLU 29 H GLU 29 21.531 -13.093 0.527 212 HA GLU 29 HA GLU 29 19.451 -11.496 1.683 213 HB2 GLU 29 HB2 GLU 29 21.191 -10.627 3.198 214 HB3 GLU 29 HB3 GLU 29 21.256 -12.381 3.078 215 HG2 GLU 29 HG2 GLU 29 23.189 -12.221 1.558 216 HG3 GLU 29 HG3 GLU 29 23.117 -10.461 1.641 217 H GLN 30 H GLN 30 22.041 -10.902 -0.601 218 HA GLN 30 HA GLN 30 21.846 -8.065 -0.766 219 HB2 GLN 30 HB2 GLN 30 22.799 -10.098 -2.822 220 HB3 GLN 30 HB3 GLN 30 23.075 -8.360 -2.924 221 HG2 GLN 30 HG2 GLN 30 24.164 -10.198 -0.764 222 HG3 GLN 30 HG3 GLN 30 25.077 -9.566 -2.132 223 HE21 GLN 30 HE21 GLN 30 25.670 -7.386 -2.145 224 HE22 GLN 30 HE22 GLN 30 25.679 -6.429 -0.706 225 H ALA 31 H ALA 31 20.116 -10.702 -2.341 226 HA ALA 31 HA ALA 31 18.631 -9.073 -4.170 227 HB1 ALA 31 HB1 ALA 31 17.177 -11.045 -4.456 228 HB2 ALA 31 HB2 ALA 31 17.972 -11.834 -3.089 229 HB3 ALA 31 HB3 ALA 31 18.879 -11.480 -4.561 230 H ILE 32 H ILE 32 17.508 -10.727 -1.118 231 HA ILE 32 HA ILE 32 15.396 -9.318 -0.359 232 HB ILE 32 HB ILE 32 17.744 -9.895 1.506 233 HG12 ILE 32 HG12 ILE 32 15.300 -11.633 0.928 234 HG13 ILE 32 HG13 ILE 32 16.887 -11.889 0.214 235 HG21 ILE 32 HG21 ILE 32 16.071 -9.981 3.339 236 HG22 ILE 32 HG22 ILE 32 14.815 -9.431 2.230 237 HG23 ILE 32 HG23 ILE 32 16.175 -8.375 2.622 238 HD11 ILE 32 HD11 ILE 32 16.255 -12.053 3.164 239 HD12 ILE 32 HD12 ILE 32 17.822 -12.368 2.406 240 HD13 ILE 32 HD13 ILE 32 16.447 -13.410 2.057 241 H ALA 33 H ALA 33 18.591 -7.876 -0.550 242 HA ALA 33 HA ALA 33 17.975 -5.532 1.062 243 HB1 ALA 33 HB1 ALA 33 20.374 -6.087 -0.726 244 HB2 ALA 33 HB2 ALA 33 20.287 -6.389 1.011 245 HB3 ALA 33 HB3 ALA 33 20.223 -4.733 0.399 246 H ASP 34 H ASP 34 18.861 -6.036 -2.355 247 HA ASP 34 HA ASP 34 18.041 -3.705 -3.542 248 HB2 ASP 34 HB2 ASP 34 19.267 -5.479 -4.743 249 HB3 ASP 34 HB3 ASP 34 17.858 -6.528 -4.674 250 H ALA 35 H ALA 35 16.049 -6.564 -3.005 251 HA ALA 35 HA ALA 35 13.712 -5.668 -4.346 252 HB1 ALA 35 HB1 ALA 35 12.616 -7.640 -3.353 253 HB2 ALA 35 HB2 ALA 35 14.000 -7.881 -2.280 254 HB3 ALA 35 HB3 ALA 35 14.193 -8.062 -4.025 255 H ARG 36 H ARG 36 14.787 -5.598 -0.985 256 HA ARG 36 HA ARG 36 12.442 -4.588 0.230 257 HB2 ARG 36 HB2 ARG 36 14.389 -5.405 1.531 258 HB3 ARG 36 HB3 ARG 36 15.346 -4.046 0.960 259 HG2 ARG 36 HG2 ARG 36 13.678 -2.516 2.139 260 HG3 ARG 36 HG3 ARG 36 12.978 -3.976 2.855 261 HD2 ARG 36 HD2 ARG 36 15.787 -2.887 3.214 262 HD3 ARG 36 HD3 ARG 36 14.535 -3.064 4.444 263 HE ARG 36 HE ARG 36 14.782 -5.482 4.223 264 HH11 ARG 36 HH11 ARG 36 17.463 -3.546 2.986 265 HH12 ARG 36 HH12 ARG 36 18.611 -4.832 3.173 266 HH21 ARG 36 HH21 ARG 36 16.288 -7.139 4.422 267 HH22 ARG 36 HH22 ARG 36 17.948 -6.860 3.987 268 H LYS 37 H LYS 37 15.367 -2.899 -0.890 269 HA LYS 37 HA LYS 37 14.594 -0.271 -0.672 270 HB2 LYS 37 HB2 LYS 37 16.883 -0.956 -1.188 271 HB3 LYS 37 HB3 LYS 37 16.379 -1.601 -2.745 272 HG2 LYS 37 HG2 LYS 37 15.742 0.775 -3.412 273 HG3 LYS 37 HG3 LYS 37 16.486 1.316 -1.908 274 HD2 LYS 37 HD2 LYS 37 18.049 1.572 -3.772 275 HD3 LYS 37 HD3 LYS 37 18.657 0.363 -2.637 276 HE2 LYS 37 HE2 LYS 37 17.935 -1.443 -4.121 277 HE3 LYS 37 HE3 LYS 37 17.171 -0.287 -5.216 278 HZ1 LYS 37 HZ1 LYS 37 20.067 -0.602 -4.674 279 HZ2 LYS 37 HZ2 LYS 37 19.411 0.679 -5.563 280 HZ3 LYS 37 HZ3 LYS 37 19.242 -0.909 -6.120 281 H ALA 38 H ALA 38 13.842 -2.571 -3.271 282 HA ALA 38 HA ALA 38 13.056 -0.521 -5.157 283 HB1 ALA 38 HB1 ALA 38 12.850 -3.553 -5.341 284 HB2 ALA 38 HB2 ALA 38 14.177 -2.564 -5.948 285 HB3 ALA 38 HB3 ALA 38 12.575 -2.417 -6.667 286 H THR 39 H THR 39 11.485 -2.884 -3.013 287 HA THR 39 HA THR 39 8.822 -2.494 -4.024 288 HB THR 39 HB THR 39 9.734 -3.803 -1.419 289 HG1 THR 39 HG1 THR 39 10.275 -4.715 -3.640 290 HG21 THR 39 HG21 THR 39 7.359 -3.130 -1.261 291 HG22 THR 39 HG22 THR 39 7.492 -4.879 -1.401 292 HG23 THR 39 HG23 THR 39 7.016 -3.924 -2.804 293 H ILE 40 H ILE 40 10.630 -1.358 -1.124 294 HA ILE 40 HA ILE 40 8.731 0.370 -0.003 295 HB ILE 40 HB ILE 40 11.778 0.606 -0.115 296 HG12 ILE 40 HG12 ILE 40 10.863 -1.319 1.208 297 HG13 ILE 40 HG13 ILE 40 11.757 -0.185 2.209 298 HG21 ILE 40 HG21 ILE 40 11.643 2.314 1.693 299 HG22 ILE 40 HG22 ILE 40 9.889 2.345 1.513 300 HG23 ILE 40 HG23 ILE 40 10.917 2.878 0.183 301 HD11 ILE 40 HD11 ILE 40 9.756 -0.988 3.321 302 HD12 ILE 40 HD12 ILE 40 8.755 -0.366 2.010 303 HD13 ILE 40 HD13 ILE 40 9.665 0.749 3.034 304 H LEU 41 H LEU 41 11.315 1.149 -2.325 305 HA LEU 41 HA LEU 41 10.764 3.811 -2.856 306 HB2 LEU 41 HB2 LEU 41 12.839 3.078 -3.547 307 HB3 LEU 41 HB3 LEU 41 12.239 1.604 -4.256 308 HG LEU 41 HG LEU 41 11.648 4.206 -5.681 309 HD11 LEU 41 HD11 LEU 41 13.802 4.071 -6.880 310 HD12 LEU 41 HD12 LEU 41 14.316 2.756 -5.820 311 HD13 LEU 41 HD13 LEU 41 14.047 4.371 -5.160 312 HD21 LEU 41 HD21 LEU 41 12.265 1.391 -6.665 313 HD22 LEU 41 HD22 LEU 41 11.856 2.773 -7.691 314 HD23 LEU 41 HD23 LEU 41 10.661 2.127 -6.567 315 H GLN 42 H GLN 42 9.291 0.970 -4.375 316 HA GLN 42 HA GLN 42 7.957 2.457 -6.466 317 HB2 GLN 42 HB2 GLN 42 8.622 0.132 -6.853 318 HB3 GLN 42 HB3 GLN 42 7.659 -0.408 -5.483 319 HG2 GLN 42 HG2 GLN 42 5.594 0.215 -6.658 320 HG3 GLN 42 HG3 GLN 42 6.535 0.832 -8.015 321 HE21 GLN 42 HE21 GLN 42 5.445 -0.610 -9.425 322 HE22 GLN 42 HE22 GLN 42 5.805 -2.300 -9.450 323 H THR 43 H THR 43 7.121 0.978 -3.372 324 HA THR 43 HA THR 43 4.348 1.423 -3.337 325 HB THR 43 HB THR 43 6.306 1.073 -1.022 326 HG1 THR 43 HG1 THR 43 5.924 -0.690 -2.582 327 HG21 THR 43 HG21 THR 43 4.270 2.176 -0.153 328 HG22 THR 43 HG22 THR 43 4.357 0.499 0.398 329 HG23 THR 43 HG23 THR 43 3.265 0.949 -0.916 330 H LEU 44 H LEU 44 7.071 3.516 -2.297 331 HA LEU 44 HA LEU 44 5.513 5.399 -0.842 332 HB2 LEU 44 HB2 LEU 44 8.169 5.961 -2.201 333 HB3 LEU 44 HB3 LEU 44 7.450 6.866 -0.878 334 HG LEU 44 HG LEU 44 8.711 4.121 -0.801 335 HD11 LEU 44 HD11 LEU 44 10.234 5.985 -0.588 336 HD12 LEU 44 HD12 LEU 44 10.153 5.056 0.902 337 HD13 LEU 44 HD13 LEU 44 9.321 6.609 0.789 338 HD21 LEU 44 HD21 LEU 44 6.662 3.852 0.452 339 HD22 LEU 44 HD22 LEU 44 6.994 5.313 1.378 340 HD23 LEU 44 HD23 LEU 44 8.032 3.900 1.565 341 H ARG 45 H ARG 45 6.195 5.051 -4.226 342 HA ARG 45 HA ARG 45 5.237 7.646 -5.065 343 HB2 ARG 45 HB2 ARG 45 5.647 5.083 -6.677 344 HB3 ARG 45 HB3 ARG 45 5.429 6.697 -7.346 345 HG2 ARG 45 HG2 ARG 45 7.797 5.755 -5.681 346 HG3 ARG 45 HG3 ARG 45 7.789 6.007 -7.428 347 HD2 ARG 45 HD2 ARG 45 7.344 8.408 -7.074 348 HD3 ARG 45 HD3 ARG 45 7.345 8.153 -5.327 349 HE ARG 45 HE ARG 45 9.786 7.389 -6.738 350 HH11 ARG 45 HH11 ARG 45 8.143 9.879 -4.876 351 HH12 ARG 45 HH12 ARG 45 9.604 10.750 -4.527 352 HH21 ARG 45 HH21 ARG 45 11.696 8.578 -6.274 353 HH22 ARG 45 HH22 ARG 45 11.605 10.021 -5.320 354 H ILE 46 H ILE 46 4.008 4.300 -5.185 355 HA ILE 46 HA ILE 46 1.494 4.827 -6.361 356 HB ILE 46 HB ILE 46 2.408 2.465 -4.654 357 HG12 ILE 46 HG12 ILE 46 2.268 2.734 -7.693 358 HG13 ILE 46 HG13 ILE 46 3.746 2.841 -6.741 359 HG21 ILE 46 HG21 ILE 46 0.549 1.180 -5.708 360 HG22 ILE 46 HG22 ILE 46 -0.040 2.662 -6.459 361 HG23 ILE 46 HG23 ILE 46 -0.042 2.504 -4.701 362 HD11 ILE 46 HD11 ILE 46 3.475 0.517 -6.044 363 HD12 ILE 46 HD12 ILE 46 3.501 0.662 -7.800 364 HD13 ILE 46 HD13 ILE 46 1.972 0.404 -6.963 365 H GLU 47 H GLU 47 2.477 4.639 -3.012 366 HA GLU 47 HA GLU 47 0.041 4.152 -1.708 367 HB2 GLU 47 HB2 GLU 47 2.642 4.145 -0.923 368 HB3 GLU 47 HB3 GLU 47 2.203 5.710 -0.291 369 HG2 GLU 47 HG2 GLU 47 1.020 3.041 0.444 370 HG3 GLU 47 HG3 GLU 47 2.097 4.000 1.431 371 H ARG 48 H ARG 48 1.857 7.113 -2.298 372 HA ARG 48 HA ARG 48 0.096 9.025 -1.243 373 HB2 ARG 48 HB2 ARG 48 2.402 9.598 -1.786 374 HB3 ARG 48 HB3 ARG 48 2.146 9.200 -3.483 375 HG2 ARG 48 HG2 ARG 48 0.464 11.120 -3.566 376 HG3 ARG 48 HG3 ARG 48 1.027 11.580 -1.957 377 HD2 ARG 48 HD2 ARG 48 2.104 12.858 -3.844 378 HD3 ARG 48 HD3 ARG 48 3.245 12.028 -2.792 379 HE ARG 48 HE ARG 48 4.023 10.985 -4.640 380 HH11 ARG 48 HH11 ARG 48 0.630 11.638 -5.365 381 HH12 ARG 48 HH12 ARG 48 0.696 10.838 -6.898 382 HH21 ARG 48 HH21 ARG 48 4.078 9.986 -6.648 383 HH22 ARG 48 HH22 ARG 48 2.636 9.881 -7.615 384 H ASP 49 H ASP 49 0.362 7.663 -4.559 385 HA ASP 49 HA ASP 49 -1.654 9.244 -5.772 386 HB2 ASP 49 HB2 ASP 49 -0.455 6.558 -6.532 387 HB3 ASP 49 HB3 ASP 49 -1.713 7.313 -7.507 388 H GLU 50 H GLU 50 -1.817 6.195 -3.981 389 HA GLU 50 HA GLU 50 -4.453 5.452 -4.765 390 HB2 GLU 50 HB2 GLU 50 -2.826 4.563 -2.340 391 HB3 GLU 50 HB3 GLU 50 -4.353 3.838 -2.842 392 HG2 GLU 50 HG2 GLU 50 -1.758 3.835 -4.397 393 HG3 GLU 50 HG3 GLU 50 -2.476 2.469 -3.561 394 H ARG 51 H ARG 51 -3.161 7.083 -1.876 395 HA ARG 51 HA ARG 51 -5.713 7.423 -0.638 396 HB2 ARG 51 HB2 ARG 51 -4.498 9.002 0.898 397 HB3 ARG 51 HB3 ARG 51 -3.793 7.395 0.787 398 HG2 ARG 51 HG2 ARG 51 -2.051 8.250 -0.720 399 HG3 ARG 51 HG3 ARG 51 -2.764 9.861 -0.647 400 HD2 ARG 51 HD2 ARG 51 -0.784 9.604 0.821 401 HD3 ARG 51 HD3 ARG 51 -2.245 10.048 1.706 402 HE ARG 51 HE ARG 51 -1.204 7.270 1.603 403 HH11 ARG 51 HH11 ARG 51 -2.501 9.969 3.434 404 HH12 ARG 51 HH12 ARG 51 -2.371 9.157 4.953 405 HH21 ARG 51 HH21 ARG 51 -1.054 6.217 3.602 406 HH22 ARG 51 HH22 ARG 51 -1.561 7.019 5.052 407 H LEU 52 H LEU 52 -3.884 9.363 -2.967 408 HA LEU 52 HA LEU 52 -5.453 11.727 -2.908 409 HB2 LEU 52 HB2 LEU 52 -3.834 10.384 -5.097 410 HB3 LEU 52 HB3 LEU 52 -4.729 11.859 -5.423 411 HG LEU 52 HG LEU 52 -2.569 11.670 -3.278 412 HD11 LEU 52 HD11 LEU 52 -1.084 12.833 -4.865 413 HD12 LEU 52 HD12 LEU 52 -2.308 12.687 -6.131 414 HD13 LEU 52 HD13 LEU 52 -1.551 11.238 -5.461 415 HD21 LEU 52 HD21 LEU 52 -2.621 14.132 -3.376 416 HD22 LEU 52 HD22 LEU 52 -4.185 13.473 -2.911 417 HD23 LEU 52 HD23 LEU 52 -3.934 14.064 -4.556 418 H ARG 53 H ARG 53 -5.697 8.860 -5.023 419 HA ARG 53 HA ARG 53 -8.115 9.726 -6.288 420 HB2 ARG 53 HB2 ARG 53 -7.999 7.670 -7.556 421 HB3 ARG 53 HB3 ARG 53 -6.379 8.335 -7.419 422 HG2 ARG 53 HG2 ARG 53 -6.256 6.645 -5.338 423 HG3 ARG 53 HG3 ARG 53 -7.515 5.811 -6.247 424 HD2 ARG 53 HD2 ARG 53 -4.712 6.486 -7.205 425 HD3 ARG 53 HD3 ARG 53 -5.317 4.889 -6.768 426 HE ARG 53 HE ARG 53 -6.883 5.954 -8.866 427 HH11 ARG 53 HH11 ARG 53 -3.731 4.500 -8.247 428 HH12 ARG 53 HH12 ARG 53 -3.505 4.031 -9.904 429 HH21 ARG 53 HH21 ARG 53 -6.556 5.322 -11.016 430 HH22 ARG 53 HH22 ARG 53 -5.096 4.496 -11.460 431 H ALA 54 H ALA 54 -7.434 7.942 -3.400 432 HA ALA 54 HA ALA 54 -9.995 6.701 -3.049 433 HB1 ALA 54 HB1 ALA 54 -9.304 6.339 -0.723 434 HB2 ALA 54 HB2 ALA 54 -7.920 7.414 -0.952 435 HB3 ALA 54 HB3 ALA 54 -8.014 5.895 -1.840 436 H CYS 55 H CYS 55 -8.792 9.925 -2.611 437 HA CYS 55 HA CYS 55 -11.184 10.767 -1.104 438 HB2 CYS 55 HB2 CYS 55 -8.563 12.213 -1.660 439 HB3 CYS 55 HB3 CYS 55 -9.916 12.897 -0.752 440 HG CYS 55 HG CYS 55 -7.695 10.529 0.196 441 H ASP 56 H ASP 56 -10.612 10.239 -4.214 442 HA ASP 56 HA ASP 56 -11.209 12.592 -5.641 443 HB2 ASP 56 HB2 ASP 56 -10.434 10.591 -6.784 444 HB3 ASP 56 HB3 ASP 56 -11.842 9.681 -6.258 445 H TRP 57 H TRP 57 -13.291 10.451 -3.815 446 HA TRP 57 HA TRP 57 -15.821 11.230 -4.802 447 HB2 TRP 57 HB2 TRP 57 -16.766 10.128 -2.846 448 HB3 TRP 57 HB3 TRP 57 -15.411 9.174 -3.441 449 HD1 TRP 57 HD1 TRP 57 -13.024 9.560 -1.977 450 HE1 TRP 57 HE1 TRP 57 -12.726 9.830 0.553 451 HE3 TRP 57 HE3 TRP 57 -17.797 10.892 -0.740 452 HZ2 TRP 57 HZ2 TRP 57 -14.286 10.520 2.782 453 HZ3 TRP 57 HZ3 TRP 57 -18.315 11.339 1.629 454 HH2 TRP 57 HH2 TRP 57 -16.592 11.149 3.358 455 H THR 58 H THR 58 -13.715 12.743 -2.386 456 HA THR 58 HA THR 58 -15.752 14.677 -1.589 457 HB THR 58 HB THR 58 -13.898 15.732 -0.240 458 HG1 THR 58 HG1 THR 58 -11.987 14.390 -0.016 459 HG21 THR 58 HG21 THR 58 -13.772 13.961 1.417 460 HG22 THR 58 HG22 THR 58 -14.263 12.769 0.217 461 HG23 THR 58 HG23 THR 58 -15.393 14.022 0.730 462 H GLN 59 H GLN 59 -13.246 14.400 -3.975 463 HA GLN 59 HA GLN 59 -12.759 17.218 -4.397 464 HB2 GLN 59 HB2 GLN 59 -12.111 14.917 -6.293 465 HB3 GLN 59 HB3 GLN 59 -11.417 16.534 -6.323 466 HG2 GLN 59 HG2 GLN 59 -10.942 14.336 -4.314 467 HG3 GLN 59 HG3 GLN 59 -9.778 15.105 -5.389 468 HE21 GLN 59 HE21 GLN 59 -11.454 15.308 -2.362 469 HE22 GLN 59 HE22 GLN 59 -10.618 16.693 -1.746 470 H VAL 60 H VAL 60 -14.842 14.756 -5.885 471 HA VAL 60 HA VAL 60 -15.861 16.372 -7.997 472 HB VAL 60 HB VAL 60 -17.717 14.782 -8.180 473 HG11 VAL 60 HG11 VAL 60 -15.557 14.099 -9.144 474 HG12 VAL 60 HG12 VAL 60 -16.452 12.699 -8.559 475 HG13 VAL 60 HG13 VAL 60 -15.099 13.329 -7.618 476 HG21 VAL 60 HG21 VAL 60 -18.270 14.468 -5.799 477 HG22 VAL 60 HG22 VAL 60 -16.765 13.585 -5.546 478 HG23 VAL 60 HG23 VAL 60 -18.022 12.900 -6.576 479 H GLN 61 H GLN 61 -16.452 16.294 -4.608 480 HA GLN 61 HA GLN 61 -17.647 17.438 -3.127 481 HB2 GLN 61 HB2 GLN 61 -17.695 19.854 -3.382 482 HB3 GLN 61 HB3 GLN 61 -16.180 19.213 -3.999 483 HG2 GLN 61 HG2 GLN 61 -17.088 19.442 -6.321 484 HG3 GLN 61 HG3 GLN 61 -18.532 20.193 -5.645 485 HE21 GLN 61 HE21 GLN 61 -15.106 20.548 -6.209 486 HE22 GLN 61 HE22 GLN 61 -15.036 22.258 -5.969 487 H ASP 62 H ASP 62 -19.244 16.024 -5.260 488 HA ASP 62 HA ASP 62 -21.808 17.396 -5.256 489 HB2 ASP 62 HB2 ASP 62 -21.082 16.055 -7.221 490 HB3 ASP 62 HB3 ASP 62 -21.017 14.607 -6.218 491 H VAL 63 H VAL 63 -20.157 14.842 -3.545 492 HA VAL 63 HA VAL 63 -22.151 13.754 -1.918 493 HB VAL 63 HB VAL 63 -19.845 12.829 -2.121 494 HG11 VAL 63 HG11 VAL 63 -18.935 15.200 -0.447 495 HG12 VAL 63 HG12 VAL 63 -18.541 14.918 -2.144 496 HG13 VAL 63 HG13 VAL 63 -17.925 13.821 -0.902 497 HG21 VAL 63 HG21 VAL 63 -20.565 13.497 0.748 498 HG22 VAL 63 HG22 VAL 63 -19.504 12.182 0.243 499 HG23 VAL 63 HG23 VAL 63 -21.217 12.153 -0.189 500 H VAL 64 H VAL 64 -22.915 14.336 0.183 501 HA VAL 64 HA VAL 64 -23.076 17.236 0.563 502 HB VAL 64 HB VAL 64 -24.594 15.023 2.017 503 HG11 VAL 64 HG11 VAL 64 -25.080 18.038 1.989 504 HG12 VAL 64 HG12 VAL 64 -24.519 17.094 3.373 505 HG13 VAL 64 HG13 VAL 64 -26.149 16.851 2.738 506 HG21 VAL 64 HG21 VAL 64 -25.147 15.045 -0.389 507 HG22 VAL 64 HG22 VAL 64 -25.489 16.776 -0.306 508 HG23 VAL 64 HG23 VAL 64 -26.516 15.630 0.562 509 H LEU 65 H LEU 65 -21.033 17.702 1.349 510 HA LEU 65 HA LEU 65 -20.610 17.040 4.204 511 HB2 LEU 65 HB2 LEU 65 -18.508 17.323 2.008 512 HB3 LEU 65 HB3 LEU 65 -18.129 17.285 3.724 513 HG LEU 65 HG LEU 65 -19.487 14.982 2.256 514 HD11 LEU 65 HD11 LEU 65 -17.260 15.300 1.325 515 HD12 LEU 65 HD12 LEU 65 -17.324 13.832 2.295 516 HD13 LEU 65 HD13 LEU 65 -16.549 15.281 2.945 517 HD21 LEU 65 HD21 LEU 65 -19.928 15.014 4.671 518 HD22 LEU 65 HD22 LEU 65 -18.198 15.114 5.006 519 HD23 LEU 65 HD23 LEU 65 -18.870 13.662 4.254 520 H THR 66 H THR 66 -19.736 18.822 5.432 521 HA THR 66 HA THR 66 -20.735 21.378 4.617 522 HB THR 66 HB THR 66 -19.907 22.255 6.721 523 HG1 THR 66 HG1 THR 66 -18.579 20.622 8.038 524 HG21 THR 66 HG21 THR 66 -21.867 20.753 6.963 525 HG22 THR 66 HG22 THR 66 -20.829 20.664 8.387 526 HG23 THR 66 HG23 THR 66 -20.789 19.371 7.187 527 H ALA 67 H ALA 67 -19.464 23.311 4.165 528 HA ALA 67 HA ALA 67 -17.390 23.048 2.339 529 HB1 ALA 67 HB1 ALA 67 -18.735 25.085 2.580 530 HB2 ALA 67 HB2 ALA 67 -17.013 25.467 2.630 531 HB3 ALA 67 HB3 ALA 67 -17.958 25.436 4.125 532 H ASP 68 H ASP 68 -17.191 23.719 5.796 533 HA ASP 68 HA ASP 68 -14.468 23.734 6.271 534 HB2 ASP 68 HB2 ASP 68 -16.603 22.520 8.065 535 HB3 ASP 68 HB3 ASP 68 -14.989 23.004 8.573 536 H GLN 69 H GLN 69 -16.582 20.815 6.137 537 HA GLN 69 HA GLN 69 -14.570 18.876 6.760 538 HB2 GLN 69 HB2 GLN 69 -17.228 18.605 5.295 539 HB3 GLN 69 HB3 GLN 69 -16.188 17.220 5.602 540 HG2 GLN 69 HG2 GLN 69 -17.398 18.986 7.747 541 HG3 GLN 69 HG3 GLN 69 -18.057 17.440 7.223 542 HE21 GLN 69 HE21 GLN 69 -16.950 15.531 7.773 543 HE22 GLN 69 HE22 GLN 69 -15.769 15.493 9.035 544 H LYS 70 H LYS 70 -15.944 19.924 3.657 545 HA LYS 70 HA LYS 70 -14.336 18.430 1.905 546 HB2 LYS 70 HB2 LYS 70 -16.008 20.942 1.582 547 HB3 LYS 70 HB3 LYS 70 -15.088 20.291 0.225 548 HG2 LYS 70 HG2 LYS 70 -16.334 18.252 0.226 549 HG3 LYS 70 HG3 LYS 70 -17.100 18.634 1.771 550 HD2 LYS 70 HD2 LYS 70 -18.456 20.348 0.796 551 HD3 LYS 70 HD3 LYS 70 -17.519 20.345 -0.711 552 HE2 LYS 70 HE2 LYS 70 -18.370 18.095 -1.218 553 HE3 LYS 70 HE3 LYS 70 -19.260 18.070 0.308 554 HZ1 LYS 70 HZ1 LYS 70 -20.540 19.990 -0.502 555 HZ2 LYS 70 HZ2 LYS 70 -20.722 18.625 -1.483 556 HZ3 LYS 70 HZ3 LYS 70 -19.731 19.899 -1.988 557 H ALA 71 H ALA 71 -13.588 21.274 3.716 558 HA ALA 71 HA ALA 71 -11.511 22.285 1.903 559 HB1 ALA 71 HB1 ALA 71 -12.807 23.912 3.249 560 HB2 ALA 71 HB2 ALA 71 -11.097 23.968 3.688 561 HB3 ALA 71 HB3 ALA 71 -12.254 23.140 4.737 562 H THR 72 H THR 72 -11.816 20.845 5.059 563 HA THR 72 HA THR 72 -9.155 20.210 5.696 564 HB THR 72 HB THR 72 -11.473 18.360 6.423 565 HG1 THR 72 HG1 THR 72 -12.260 20.149 7.282 566 HG21 THR 72 HG21 THR 72 -8.902 19.086 7.883 567 HG22 THR 72 HG22 THR 72 -9.226 17.549 7.079 568 HG23 THR 72 HG23 THR 72 -10.164 18.014 8.499 569 H TRP 73 H TRP 73 -11.469 18.338 3.751 570 HA TRP 73 HA TRP 73 -9.710 16.184 3.081 571 HB2 TRP 73 HB2 TRP 73 -12.339 17.164 1.934 572 HB3 TRP 73 HB3 TRP 73 -11.452 15.862 1.153 573 HD1 TRP 73 HD1 TRP 73 -13.956 16.416 3.883 574 HE1 TRP 73 HE1 TRP 73 -14.400 14.203 5.110 575 HE3 TRP 73 HE3 TRP 73 -10.058 13.649 2.024 576 HZ2 TRP 73 HZ2 TRP 73 -13.258 11.625 5.275 577 HZ3 TRP 73 HZ3 TRP 73 -9.815 11.316 2.773 578 HH2 TRP 73 HH2 TRP 73 -11.380 10.324 4.362 579 H ALA 74 H ALA 74 -10.380 19.327 1.648 580 HA ALA 74 HA ALA 74 -8.930 18.946 -0.791 581 HB1 ALA 74 HB1 ALA 74 -9.123 21.392 -1.053 582 HB2 ALA 74 HB2 ALA 74 -9.691 21.536 0.614 583 HB3 ALA 74 HB3 ALA 74 -10.669 20.680 -0.577 584 H LYS 75 H LYS 75 -8.078 19.866 2.486 585 HA LYS 75 HA LYS 75 -5.442 20.909 1.917 586 HB2 LYS 75 HB2 LYS 75 -6.796 20.050 4.516 587 HB3 LYS 75 HB3 LYS 75 -5.152 20.689 4.452 588 HG2 LYS 75 HG2 LYS 75 -6.022 22.802 3.504 589 HG3 LYS 75 HG3 LYS 75 -7.663 22.162 3.608 590 HD2 LYS 75 HD2 LYS 75 -7.486 22.028 6.060 591 HD3 LYS 75 HD3 LYS 75 -5.803 22.568 5.985 592 HE2 LYS 75 HE2 LYS 75 -6.589 24.735 4.997 593 HE3 LYS 75 HE3 LYS 75 -8.256 24.189 5.206 594 HZ1 LYS 75 HZ1 LYS 75 -6.282 24.534 7.395 595 HZ2 LYS 75 HZ2 LYS 75 -7.903 24.086 7.577 596 HZ3 LYS 75 HZ3 LYS 75 -7.510 25.629 7.004 597 H TYR 76 H TYR 76 -6.882 17.837 2.780 598 HA TYR 76 HA TYR 76 -4.617 16.290 3.359 599 HB2 TYR 76 HB2 TYR 76 -6.967 15.543 3.686 600 HB3 TYR 76 HB3 TYR 76 -7.199 15.464 1.944 601 HD1 TYR 76 HD1 TYR 76 -5.179 14.009 4.730 602 HD2 TYR 76 HD2 TYR 76 -6.692 13.412 0.777 603 HE1 TYR 76 HE1 TYR 76 -4.433 11.684 4.784 604 HE2 TYR 76 HE2 TYR 76 -5.931 11.074 0.845 605 HH TYR 76 HH TYR 76 -4.941 9.561 3.726 606 H ARG 77 H ARG 77 -6.277 16.855 0.240 607 HA ARG 77 HA ARG 77 -4.418 15.461 -1.396 608 HB2 ARG 77 HB2 ARG 77 -6.685 15.892 -2.207 609 HB3 ARG 77 HB3 ARG 77 -6.426 17.635 -2.120 610 HG2 ARG 77 HG2 ARG 77 -4.848 17.572 -3.944 611 HG3 ARG 77 HG3 ARG 77 -4.813 15.811 -3.929 612 HD2 ARG 77 HD2 ARG 77 -7.161 15.750 -4.678 613 HD3 ARG 77 HD3 ARG 77 -7.200 17.518 -4.676 614 HE ARG 77 HE ARG 77 -5.135 17.035 -6.310 615 HH11 ARG 77 HH11 ARG 77 -8.347 15.588 -6.319 616 HH12 ARG 77 HH12 ARG 77 -8.389 15.422 -8.046 617 HH21 ARG 77 HH21 ARG 77 -5.196 16.790 -8.547 618 HH22 ARG 77 HH22 ARG 77 -6.589 16.093 -9.308 619 H GLN 78 H GLN 78 -4.876 19.007 -0.879 620 HA GLN 78 HA GLN 78 -2.811 20.008 -2.331 621 HB2 GLN 78 HB2 GLN 78 -4.585 21.354 -1.198 622 HB3 GLN 78 HB3 GLN 78 -3.754 21.130 0.335 623 HG2 GLN 78 HG2 GLN 78 -3.246 23.337 -0.563 624 HG3 GLN 78 HG3 GLN 78 -1.786 22.351 -0.556 625 HE21 GLN 78 HE21 GLN 78 -4.406 22.228 -2.939 626 HE22 GLN 78 HE22 GLN 78 -3.475 22.774 -4.276 627 H ALA 79 H ALA 79 -2.550 18.560 0.874 628 HA ALA 79 HA ALA 79 0.145 19.415 1.381 629 HB1 ALA 79 HB1 ALA 79 0.073 17.815 3.244 630 HB2 ALA 79 HB2 ALA 79 -1.434 17.138 2.618 631 HB3 ALA 79 HB3 ALA 79 -1.386 18.802 3.196 632 H LEU 80 H LEU 80 -1.301 16.309 0.286 633 HA LEU 80 HA LEU 80 0.982 14.800 -0.135 634 HB2 LEU 80 HB2 LEU 80 -1.703 14.819 -1.556 635 HB3 LEU 80 HB3 LEU 80 -0.493 13.572 -1.840 636 HG LEU 80 HG LEU 80 -1.651 14.148 0.919 637 HD11 LEU 80 HD11 LEU 80 -3.054 12.168 0.653 638 HD12 LEU 80 HD12 LEU 80 -2.531 11.991 -1.027 639 HD13 LEU 80 HD13 LEU 80 -3.472 13.405 -0.534 640 HD21 LEU 80 HD21 LEU 80 0.543 13.071 0.918 641 HD22 LEU 80 HD22 LEU 80 -0.058 11.806 -0.158 642 HD23 LEU 80 HD23 LEU 80 -0.702 11.956 1.481 643 H ARG 81 H ARG 81 -0.535 17.137 -2.388 644 HA ARG 81 HA ARG 81 1.348 16.577 -4.527 645 HB2 ARG 81 HB2 ARG 81 0.255 18.367 -5.776 646 HB3 ARG 81 HB3 ARG 81 -0.970 17.342 -5.037 647 HG2 ARG 81 HG2 ARG 81 -1.344 19.005 -3.283 648 HG3 ARG 81 HG3 ARG 81 -0.074 20.034 -3.946 649 HD2 ARG 81 HD2 ARG 81 -2.669 19.274 -5.325 650 HD3 ARG 81 HD3 ARG 81 -2.309 20.832 -4.577 651 HE ARG 81 HE ARG 81 -1.113 19.751 -7.048 652 HH11 ARG 81 HH11 ARG 81 -1.571 22.516 -4.898 653 HH12 ARG 81 HH12 ARG 81 -0.954 23.658 -6.044 654 HH21 ARG 81 HH21 ARG 81 -0.268 21.264 -8.516 655 HH22 ARG 81 HH22 ARG 81 -0.206 22.946 -8.095 656 H ASP 82 H ASP 82 1.208 18.723 -1.798 657 HA ASP 82 HA ASP 82 2.976 20.778 -2.687 658 HB2 ASP 82 HB2 ASP 82 1.415 21.090 -0.796 659 HB3 ASP 82 HB3 ASP 82 2.277 19.881 0.148 660 H LEU 83 H LEU 83 3.483 17.739 -0.900 661 HA LEU 83 HA LEU 83 6.218 18.104 -0.287 662 HB2 LEU 83 HB2 LEU 83 4.357 15.740 -0.297 663 HB3 LEU 83 HB3 LEU 83 6.072 15.387 -0.306 664 HG LEU 83 HG LEU 83 5.176 15.332 1.978 665 HD11 LEU 83 HD11 LEU 83 7.507 15.955 1.684 666 HD12 LEU 83 HD12 LEU 83 6.808 16.778 3.075 667 HD13 LEU 83 HD13 LEU 83 7.065 17.662 1.566 668 HD21 LEU 83 HD21 LEU 83 3.333 16.935 1.716 669 HD22 LEU 83 HD22 LEU 83 4.488 18.268 1.629 670 HD23 LEU 83 HD23 LEU 83 4.336 17.319 3.112 671 HA PRO 84 HA PRO 84 7.681 17.371 -4.512 672 HB2 PRO 84 HB2 PRO 84 10.151 18.426 -4.265 673 HB3 PRO 84 HB3 PRO 84 8.712 19.454 -4.309 674 HG2 PRO 84 HG2 PRO 84 10.384 18.635 -1.954 675 HG3 PRO 84 HG3 PRO 84 9.567 20.178 -2.264 676 HD2 PRO 84 HD2 PRO 84 8.599 18.105 -0.612 677 HD3 PRO 84 HD3 PRO 84 7.642 19.463 -1.233 678 H GLU 85 H GLU 85 7.526 15.160 -4.256 679 HA GLU 85 HA GLU 85 9.062 13.493 -2.583 680 HB2 GLU 85 HB2 GLU 85 7.945 11.653 -3.778 681 HB3 GLU 85 HB3 GLU 85 6.802 12.952 -3.448 682 HG2 GLU 85 HG2 GLU 85 7.043 13.753 -5.779 683 HG3 GLU 85 HG3 GLU 85 8.166 12.435 -6.109 684 H THR 86 H THR 86 9.705 14.765 -5.749 685 HA THR 86 HA THR 86 11.740 12.866 -6.534 686 HB THR 86 HB THR 86 12.240 14.690 -8.308 687 HG1 THR 86 HG1 THR 86 11.401 16.535 -7.431 688 HG21 THR 86 HG21 THR 86 9.405 13.601 -8.172 689 HG22 THR 86 HG22 THR 86 10.809 12.748 -8.818 690 HG23 THR 86 HG23 THR 86 10.211 14.200 -9.624 691 H VAL 87 H VAL 87 13.325 12.781 -5.039 692 HA VAL 87 HA VAL 87 15.170 13.201 -3.856 693 HB VAL 87 HB VAL 87 15.551 15.582 -5.713 694 HG11 VAL 87 HG11 VAL 87 16.978 15.800 -3.707 695 HG12 VAL 87 HG12 VAL 87 17.961 15.447 -5.129 696 HG13 VAL 87 HG13 VAL 87 17.611 14.169 -3.962 697 HG21 VAL 87 HG21 VAL 87 16.996 14.074 -7.035 698 HG22 VAL 87 HG22 VAL 87 15.353 13.441 -6.930 699 HG23 VAL 87 HG23 VAL 87 16.630 12.742 -5.932 700 H THR 88 H THR 88 14.023 13.543 -1.968 701 HA THR 88 HA THR 88 14.050 16.307 -0.909 702 HB THR 88 HB THR 88 11.693 15.643 -1.337 703 HG1 THR 88 HG1 THR 88 11.527 16.897 0.372 704 HG21 THR 88 HG21 THR 88 10.621 13.827 -0.063 705 HG22 THR 88 HG22 THR 88 12.181 13.375 0.627 706 HG23 THR 88 HG23 THR 88 11.896 13.189 -1.107 707 H ASP 89 H ASP 89 14.010 16.250 1.578 708 HA ASP 89 HA ASP 89 16.258 14.557 2.399 709 HB2 ASP 89 HB2 ASP 89 16.212 17.094 2.722 710 HB3 ASP 89 HB3 ASP 89 14.991 16.847 3.962 711 H LEU 90 H LEU 90 12.926 14.340 2.571 712 HA LEU 90 HA LEU 90 12.613 13.000 5.093 713 HB2 LEU 90 HB2 LEU 90 10.881 13.028 2.585 714 HB3 LEU 90 HB3 LEU 90 10.476 12.074 3.999 715 HG LEU 90 HG LEU 90 10.414 14.245 5.327 716 HD11 LEU 90 HD11 LEU 90 10.441 15.554 2.596 717 HD12 LEU 90 HD12 LEU 90 11.694 15.689 3.833 718 HD13 LEU 90 HD13 LEU 90 10.089 16.353 4.132 719 HD21 LEU 90 HD21 LEU 90 8.387 13.926 3.093 720 HD22 LEU 90 HD22 LEU 90 8.143 14.827 4.592 721 HD23 LEU 90 HD23 LEU 90 8.373 13.082 4.645 722 H SER 91 H SER 91 13.982 11.309 5.392 723 HA SER 91 HA SER 91 14.547 9.256 3.472 724 HB2 SER 91 HB2 SER 91 16.058 9.664 5.393 725 HB3 SER 91 HB3 SER 91 14.781 9.209 6.515 726 HG SER 91 HG SER 91 15.374 7.332 4.563 727 H GLN 92 H GLN 92 12.330 9.581 6.209 728 HA GLN 92 HA GLN 92 10.787 7.207 5.394 729 HB2 GLN 92 HB2 GLN 92 11.407 7.237 7.748 730 HB3 GLN 92 HB3 GLN 92 10.817 8.882 7.944 731 HG2 GLN 92 HG2 GLN 92 9.298 7.217 8.947 732 HG3 GLN 92 HG3 GLN 92 8.514 8.141 7.665 733 HE21 GLN 92 HE21 GLN 92 6.957 6.631 7.141 734 HE22 GLN 92 HE22 GLN 92 7.314 5.075 6.473 735 H ILE 93 H ILE 93 8.698 7.397 4.671 736 HA ILE 93 HA ILE 93 7.675 9.960 3.863 737 HB ILE 93 HB ILE 93 5.660 8.604 3.063 738 HG12 ILE 93 HG12 ILE 93 6.404 5.998 2.830 739 HG13 ILE 93 HG13 ILE 93 7.208 6.339 4.346 740 HG21 ILE 93 HG21 ILE 93 8.404 7.820 2.020 741 HG22 ILE 93 HG22 ILE 93 7.471 9.251 1.566 742 HG23 ILE 93 HG23 ILE 93 6.881 7.643 1.144 743 HD11 ILE 93 HD11 ILE 93 4.255 6.613 3.796 744 HD12 ILE 93 HD12 ILE 93 5.051 6.916 5.341 745 HD13 ILE 93 HD13 ILE 93 5.046 5.294 4.655 746 H VAL 94 H VAL 94 6.674 11.319 5.201 747 HA VAL 94 HA VAL 94 4.558 10.280 6.968 748 HB VAL 94 HB VAL 94 6.309 10.871 8.487 749 HG11 VAL 94 HG11 VAL 94 6.636 13.518 7.049 750 HG12 VAL 94 HG12 VAL 94 7.767 12.163 7.001 751 HG13 VAL 94 HG13 VAL 94 7.497 13.036 8.511 752 HG21 VAL 94 HG21 VAL 94 5.337 12.704 9.821 753 HG22 VAL 94 HG22 VAL 94 4.071 11.643 9.192 754 HG23 VAL 94 HG23 VAL 94 4.366 13.206 8.431 755 H TRP 95 H TRP 95 3.092 10.633 5.404 756 HA TRP 95 HA TRP 95 2.488 13.410 4.577 757 HB2 TRP 95 HB2 TRP 95 1.089 12.179 2.767 758 HB3 TRP 95 HB3 TRP 95 2.830 12.238 2.572 759 HD1 TRP 95 HD1 TRP 95 0.701 9.620 4.559 760 HE1 TRP 95 HE1 TRP 95 1.293 7.297 3.640 761 HE3 TRP 95 HE3 TRP 95 3.882 11.002 0.789 762 HZ2 TRP 95 HZ2 TRP 95 2.887 6.199 1.616 763 HZ3 TRP 95 HZ3 TRP 95 4.888 9.236 -0.604 764 HH2 TRP 95 HH2 TRP 95 4.385 6.869 -0.191 765 HA PRO 96 HA PRO 96 -0.899 13.809 7.152 766 HB2 PRO 96 HB2 PRO 96 -3.089 14.596 5.643 767 HB3 PRO 96 HB3 PRO 96 -1.707 15.641 5.998 768 HG2 PRO 96 HG2 PRO 96 -2.212 13.945 3.548 769 HG3 PRO 96 HG3 PRO 96 -1.738 15.659 3.632 770 HD2 PRO 96 HD2 PRO 96 0.113 13.802 3.163 771 HD3 PRO 96 HD3 PRO 96 0.485 15.136 4.281 772 H GLN 97 H GLN 97 -2.487 12.776 8.205 773 HA GLN 97 HA GLN 97 -3.693 10.330 7.102 774 HB2 GLN 97 HB2 GLN 97 -2.772 10.223 9.390 775 HB3 GLN 97 HB3 GLN 97 -3.821 11.541 9.903 776 HG2 GLN 97 HG2 GLN 97 -5.803 10.075 9.422 777 HG3 GLN 97 HG3 GLN 97 -4.691 8.760 9.042 778 HE21 GLN 97 HE21 GLN 97 -6.736 8.864 11.112 779 HE22 GLN 97 HE22 GLN 97 -5.913 8.620 12.612 780 H LEU 98 H LEU 98 -5.865 10.164 6.647 781 HA LEU 98 HA LEU 98 -7.228 12.532 5.909 782 HB2 LEU 98 HB2 LEU 98 -9.116 10.986 5.260 783 HB3 LEU 98 HB3 LEU 98 -7.565 10.649 4.529 784 HG LEU 98 HG LEU 98 -7.319 8.799 6.334 785 HD11 LEU 98 HD11 LEU 98 -10.316 9.197 6.535 786 HD12 LEU 98 HD12 LEU 98 -9.127 9.392 7.829 787 HD13 LEU 98 HD13 LEU 98 -9.417 7.799 7.142 788 HD21 LEU 98 HD21 LEU 98 -7.634 8.352 3.942 789 HD22 LEU 98 HD22 LEU 98 -9.386 8.456 4.147 790 HD23 LEU 98 HD23 LEU 98 -8.479 7.164 4.940 791 HA PRO 99 HA PRO 99 -9.144 13.861 9.595 792 HB2 PRO 99 HB2 PRO 99 -11.519 14.973 8.642 793 HB3 PRO 99 HB3 PRO 99 -9.930 15.739 8.541 794 HG2 PRO 99 HG2 PRO 99 -11.419 14.172 6.439 795 HG3 PRO 99 HG3 PRO 99 -10.496 15.685 6.270 796 HD2 PRO 99 HD2 PRO 99 -9.451 13.305 5.532 797 HD3 PRO 99 HD3 PRO 99 -8.441 14.571 6.263 798 H VAL 100 H VAL 100 -11.514 12.122 7.549 799 HA VAL 100 HA VAL 100 -13.134 11.444 9.904 800 HB VAL 100 HB VAL 100 -13.812 10.978 6.962 801 HG11 VAL 100 HG11 VAL 100 -16.162 10.811 7.778 802 HG12 VAL 100 HG12 VAL 100 -15.603 11.014 9.439 803 HG13 VAL 100 HG13 VAL 100 -15.126 9.588 8.517 804 HG21 VAL 100 HG21 VAL 100 -13.478 13.407 7.314 805 HG22 VAL 100 HG22 VAL 100 -14.600 13.400 8.675 806 HG23 VAL 100 HG23 VAL 100 -15.191 13.057 7.047 Start of MODEL 18 1 H MET 1 H MET 1 7.455 -5.756 8.024 2 HA MET 1 HA MET 1 6.251 -4.908 5.470 3 HB2 MET 1 HB2 MET 1 7.760 -3.192 6.317 4 HB3 MET 1 HB3 MET 1 8.981 -4.391 6.712 5 HG2 MET 1 HG2 MET 1 8.119 -3.819 3.868 6 HG3 MET 1 HG3 MET 1 9.431 -2.962 4.668 7 HE1 MET 1 HE1 MET 1 11.344 -3.642 2.938 8 HE2 MET 1 HE2 MET 1 9.997 -4.252 1.979 9 HE3 MET 1 HE3 MET 1 11.423 -5.258 2.232 10 H LEU 2 H LEU 2 6.318 -6.435 3.937 11 HA LEU 2 HA LEU 2 8.428 -8.511 4.008 12 HB2 LEU 2 HB2 LEU 2 6.763 -10.126 3.025 13 HB3 LEU 2 HB3 LEU 2 6.485 -9.675 4.690 14 HG LEU 2 HG LEU 2 4.702 -8.033 3.773 15 HD11 LEU 2 HD11 LEU 2 4.914 -9.798 1.330 16 HD12 LEU 2 HD12 LEU 2 5.242 -8.066 1.408 17 HD13 LEU 2 HD13 LEU 2 3.610 -8.662 1.675 18 HD21 LEU 2 HD21 LEU 2 2.968 -9.781 3.745 19 HD22 LEU 2 HD22 LEU 2 4.134 -10.048 5.040 20 HD23 LEU 2 HD23 LEU 2 4.217 -11.022 3.569 21 H LEU 3 H LEU 3 9.307 -9.088 2.045 22 HA LEU 3 HA LEU 3 9.425 -7.097 0.064 23 HB2 LEU 3 HB2 LEU 3 10.540 -9.918 0.257 24 HB3 LEU 3 HB3 LEU 3 10.853 -8.891 -1.130 25 HG LEU 3 HG LEU 3 12.082 -7.290 0.268 26 HD11 LEU 3 HD11 LEU 3 12.611 -7.686 2.621 27 HD12 LEU 3 HD12 LEU 3 11.540 -9.093 2.643 28 HD13 LEU 3 HD13 LEU 3 10.876 -7.477 2.385 29 HD21 LEU 3 HD21 LEU 3 13.067 -10.124 0.753 30 HD22 LEU 3 HD22 LEU 3 14.044 -8.655 0.796 31 HD23 LEU 3 HD23 LEU 3 13.320 -9.182 -0.718 32 H HIS 4 H HIS 4 7.533 -6.742 -1.010 33 HA HIS 4 HA HIS 4 5.592 -8.311 -2.001 34 HB2 HIS 4 HB2 HIS 4 6.872 -5.919 -3.371 35 HB3 HIS 4 HB3 HIS 4 5.327 -6.610 -3.855 36 HD1 HIS 4 HD1 HIS 4 5.477 -6.642 -0.224 37 HD2 HIS 4 HD2 HIS 4 4.627 -3.801 -3.143 38 HE1 HIS 4 HE1 HIS 4 4.238 -4.804 0.953 39 HE2 HIS 4 HE2 HIS 4 3.882 -3.039 -0.794 40 H SER 5 H SER 5 8.801 -8.029 -3.388 41 HA SER 5 HA SER 5 8.482 -10.516 -4.831 42 HB2 SER 5 HB2 SER 5 7.689 -8.888 -6.535 43 HB3 SER 5 HB3 SER 5 9.175 -7.962 -6.358 44 HG SER 5 HG SER 5 8.693 -10.176 -7.849 45 H VAL 6 H VAL 6 10.334 -11.611 -4.561 46 HA VAL 6 HA VAL 6 12.915 -10.189 -4.399 47 HB VAL 6 HB VAL 6 12.217 -10.808 -2.064 48 HG11 VAL 6 HG11 VAL 6 12.153 -13.148 -1.313 49 HG12 VAL 6 HG12 VAL 6 12.376 -13.698 -2.976 50 HG13 VAL 6 HG13 VAL 6 10.906 -12.833 -2.524 51 HG21 VAL 6 HG21 VAL 6 14.620 -10.624 -2.613 52 HG22 VAL 6 HG22 VAL 6 14.667 -12.334 -3.048 53 HG23 VAL 6 HG23 VAL 6 14.354 -11.855 -1.379 54 H GLU 7 H GLU 7 14.582 -11.213 -5.460 55 HA GLU 7 HA GLU 7 13.917 -13.504 -7.141 56 HB2 GLU 7 HB2 GLU 7 15.115 -11.521 -8.071 57 HB3 GLU 7 HB3 GLU 7 16.497 -11.880 -7.040 58 HG2 GLU 7 HG2 GLU 7 16.923 -13.947 -8.208 59 HG3 GLU 7 HG3 GLU 7 15.393 -13.839 -9.078 60 H THR 8 H THR 8 14.552 -15.532 -6.712 61 HA THR 8 HA THR 8 16.382 -16.075 -4.439 62 HB THR 8 HB THR 8 14.990 -18.130 -4.043 63 HG1 THR 8 HG1 THR 8 13.135 -16.987 -5.886 64 HG21 THR 8 HG21 THR 8 13.052 -17.027 -3.013 65 HG22 THR 8 HG22 THR 8 13.323 -15.586 -3.995 66 HG23 THR 8 HG23 THR 8 14.499 -16.047 -2.771 67 HA PRO 9 HA PRO 9 18.827 -18.813 -7.244 68 HB2 PRO 9 HB2 PRO 9 18.583 -20.701 -4.885 69 HB3 PRO 9 HB3 PRO 9 20.001 -20.316 -5.877 70 HG2 PRO 9 HG2 PRO 9 19.725 -19.193 -3.478 71 HG3 PRO 9 HG3 PRO 9 20.327 -18.230 -4.846 72 HD2 PRO 9 HD2 PRO 9 17.609 -18.195 -3.549 73 HD3 PRO 9 HD3 PRO 9 18.539 -16.861 -4.266 74 H ARG 10 H ARG 10 15.931 -20.012 -5.518 75 HA ARG 10 HA ARG 10 15.463 -22.188 -7.382 76 HB2 ARG 10 HB2 ARG 10 13.394 -22.630 -6.098 77 HB3 ARG 10 HB3 ARG 10 14.814 -22.527 -5.073 78 HG2 ARG 10 HG2 ARG 10 14.115 -20.205 -4.406 79 HG3 ARG 10 HG3 ARG 10 12.639 -20.417 -5.340 80 HD2 ARG 10 HD2 ARG 10 13.489 -22.082 -2.954 81 HD3 ARG 10 HD3 ARG 10 12.241 -20.835 -2.967 82 HE ARG 10 HE ARG 10 11.005 -22.304 -4.577 83 HH11 ARG 10 HH11 ARG 10 13.374 -23.782 -2.440 84 HH12 ARG 10 HH12 ARG 10 12.549 -25.305 -2.381 85 HH21 ARG 10 HH21 ARG 10 9.957 -24.323 -4.531 86 HH22 ARG 10 HH22 ARG 10 10.596 -25.608 -3.556 87 H GLY 11 H GLY 11 14.649 -18.842 -7.332 88 HA2 GLY 11 HA2 GLY 11 14.066 -18.505 -9.915 89 HA3 GLY 11 HA3 GLY 11 12.516 -19.097 -9.333 90 H GLU 12 H GLU 12 11.106 -17.560 -8.745 91 HA GLU 12 HA GLU 12 12.016 -15.134 -7.318 92 HB2 GLU 12 HB2 GLU 12 11.467 -14.483 -9.645 93 HB3 GLU 12 HB3 GLU 12 9.925 -15.321 -9.545 94 HG2 GLU 12 HG2 GLU 12 9.268 -13.690 -7.714 95 HG3 GLU 12 HG3 GLU 12 10.742 -12.796 -8.080 96 H ILE 13 H ILE 13 10.632 -14.524 -5.654 97 HA ILE 13 HA ILE 13 8.291 -16.207 -5.044 98 HB ILE 13 HB ILE 13 10.424 -15.450 -2.974 99 HG12 ILE 13 HG12 ILE 13 11.194 -17.316 -4.417 100 HG13 ILE 13 HG13 ILE 13 10.878 -17.881 -2.783 101 HG21 ILE 13 HG21 ILE 13 9.061 -16.829 -1.401 102 HG22 ILE 13 HG22 ILE 13 7.820 -17.008 -2.649 103 HG23 ILE 13 HG23 ILE 13 8.186 -15.411 -1.988 104 HD11 ILE 13 HD11 ILE 13 8.767 -18.859 -3.539 105 HD12 ILE 13 HD12 ILE 13 10.150 -19.475 -4.441 106 HD13 ILE 13 HD13 ILE 13 9.088 -18.277 -5.176 107 H LEU 14 H LEU 14 6.591 -14.984 -4.722 108 HA LEU 14 HA LEU 14 6.876 -12.059 -4.558 109 HB2 LEU 14 HB2 LEU 14 4.538 -13.835 -5.381 110 HB3 LEU 14 HB3 LEU 14 4.509 -12.076 -5.381 111 HG LEU 14 HG LEU 14 6.348 -13.783 -7.125 112 HD11 LEU 14 HD11 LEU 14 3.844 -12.250 -7.893 113 HD12 LEU 14 HD12 LEU 14 4.034 -14.005 -7.866 114 HD13 LEU 14 HD13 LEU 14 4.955 -13.040 -9.017 115 HD21 LEU 14 HD21 LEU 14 5.901 -10.777 -7.118 116 HD22 LEU 14 HD22 LEU 14 6.919 -11.672 -8.250 117 HD23 LEU 14 HD23 LEU 14 7.347 -11.608 -6.544 118 H ASN 15 H ASN 15 6.523 -11.102 -2.689 119 HA ASN 15 HA ASN 15 5.637 -10.367 -0.780 120 HB2 ASN 15 HB2 ASN 15 3.297 -12.270 -1.221 121 HB3 ASN 15 HB3 ASN 15 3.332 -10.882 -0.138 122 HD21 ASN 15 HD21 ASN 15 2.911 -11.941 -3.411 123 HD22 ASN 15 HD22 ASN 15 2.516 -10.399 -4.088 124 H VAL 16 H VAL 16 7.502 -11.369 0.175 125 HA VAL 16 HA VAL 16 6.754 -13.259 2.279 126 HB VAL 16 HB VAL 16 7.604 -14.730 0.488 127 HG11 VAL 16 HG11 VAL 16 10.216 -13.187 0.663 128 HG12 VAL 16 HG12 VAL 16 9.104 -13.194 -0.708 129 HG13 VAL 16 HG13 VAL 16 9.956 -14.672 -0.256 130 HG21 VAL 16 HG21 VAL 16 9.299 -15.971 1.791 131 HG22 VAL 16 HG22 VAL 16 7.996 -15.402 2.834 132 HG23 VAL 16 HG23 VAL 16 9.548 -14.561 2.828 133 H SER 17 H SER 17 7.874 -12.936 4.176 134 HA SER 17 HA SER 17 9.327 -10.533 4.600 135 HB2 SER 17 HB2 SER 17 7.911 -11.566 6.332 136 HB3 SER 17 HB3 SER 17 8.971 -12.974 6.389 137 HG SER 17 HG SER 17 9.509 -11.588 8.043 138 H GLU 18 H GLU 18 11.489 -10.329 5.401 139 HA GLU 18 HA GLU 18 13.517 -11.465 3.864 140 HB2 GLU 18 HB2 GLU 18 13.668 -10.107 6.586 141 HB3 GLU 18 HB3 GLU 18 15.088 -10.510 5.618 142 HG2 GLU 18 HG2 GLU 18 14.329 -9.038 3.834 143 HG3 GLU 18 HG3 GLU 18 12.855 -8.667 4.731 144 H GLN 19 H GLN 19 12.373 -12.398 7.123 145 HA GLN 19 HA GLN 19 14.456 -14.213 7.741 146 HB2 GLN 19 HB2 GLN 19 12.989 -13.298 9.491 147 HB3 GLN 19 HB3 GLN 19 11.604 -14.128 8.793 148 HG2 GLN 19 HG2 GLN 19 12.398 -15.308 10.775 149 HG3 GLN 19 HG3 GLN 19 12.625 -16.309 9.340 150 HE21 GLN 19 HE21 GLN 19 14.773 -16.681 8.575 151 HE22 GLN 19 HE22 GLN 19 16.150 -16.407 9.582 152 H GLU 20 H GLU 20 11.111 -14.872 6.644 153 HA GLU 20 HA GLU 20 11.360 -17.664 6.380 154 HB2 GLU 20 HB2 GLU 20 9.188 -16.531 6.557 155 HB3 GLU 20 HB3 GLU 20 9.434 -15.743 5.004 156 HG2 GLU 20 HG2 GLU 20 9.271 -17.869 3.840 157 HG3 GLU 20 HG3 GLU 20 9.211 -18.743 5.362 158 H ALA 21 H ALA 21 11.511 -15.117 3.873 159 HA ALA 21 HA ALA 21 12.247 -16.472 1.649 160 HB1 ALA 21 HB1 ALA 21 13.407 -14.445 0.909 161 HB2 ALA 21 HB2 ALA 21 13.447 -13.858 2.575 162 HB3 ALA 21 HB3 ALA 21 11.904 -14.052 1.747 163 H ARG 22 H ARG 22 14.675 -15.293 4.049 164 HA ARG 22 HA ARG 22 16.931 -16.486 2.753 165 HB2 ARG 22 HB2 ARG 22 16.564 -15.386 5.577 166 HB3 ARG 22 HB3 ARG 22 18.116 -15.973 4.979 167 HG2 ARG 22 HG2 ARG 22 18.179 -14.231 3.285 168 HG3 ARG 22 HG3 ARG 22 16.551 -13.702 3.714 169 HD2 ARG 22 HD2 ARG 22 18.243 -12.196 4.657 170 HD3 ARG 22 HD3 ARG 22 17.342 -13.010 5.940 171 HE ARG 22 HE ARG 22 19.922 -14.155 5.120 172 HH11 ARG 22 HH11 ARG 22 18.130 -12.333 7.544 173 HH12 ARG 22 HH12 ARG 22 19.355 -12.518 8.759 174 HH21 ARG 22 HH21 ARG 22 21.490 -14.417 6.718 175 HH22 ARG 22 HH22 ARG 22 21.258 -13.728 8.294 176 H ASP 23 H ASP 23 14.753 -17.613 5.281 177 HA ASP 23 HA ASP 23 16.505 -19.712 6.255 178 HB2 ASP 23 HB2 ASP 23 15.009 -18.470 7.795 179 HB3 ASP 23 HB3 ASP 23 13.597 -19.034 6.911 180 H VAL 24 H VAL 24 13.227 -19.696 4.833 181 HA VAL 24 HA VAL 24 13.141 -22.538 4.471 182 HB VAL 24 HB VAL 24 11.196 -20.383 3.505 183 HG11 VAL 24 HG11 VAL 24 10.753 -23.358 3.920 184 HG12 VAL 24 HG12 VAL 24 10.829 -22.526 2.367 185 HG13 VAL 24 HG13 VAL 24 9.505 -22.185 3.481 186 HG21 VAL 24 HG21 VAL 24 11.509 -20.215 5.943 187 HG22 VAL 24 HG22 VAL 24 11.164 -21.937 6.125 188 HG23 VAL 24 HG23 VAL 24 9.896 -20.839 5.570 189 H PHE 25 H PHE 25 12.855 -19.819 2.172 190 HA PHE 25 HA PHE 25 13.018 -21.472 -0.187 191 HB2 PHE 25 HB2 PHE 25 13.240 -18.437 0.127 192 HB3 PHE 25 HB3 PHE 25 13.016 -19.301 -1.397 193 HD1 PHE 25 HD2 PHE 25 10.881 -20.604 -1.788 194 HD2 PHE 25 HD1 PHE 25 11.337 -17.991 1.558 195 HE1 PHE 25 HE2 PHE 25 8.448 -20.586 -1.462 196 HE2 PHE 25 HE1 PHE 25 8.905 -17.977 1.872 197 HZ PHE 25 HZ PHE 25 7.458 -19.272 0.363 198 H GLY 26 H GLY 26 15.327 -19.633 1.737 199 HA2 GLY 26 HA2 GLY 26 17.629 -19.537 1.666 200 HA3 GLY 26 HA3 GLY 26 17.621 -20.721 0.361 201 H ALA 27 H ALA 27 15.971 -17.628 0.545 202 HA ALA 27 HA ALA 27 16.703 -16.668 -1.998 203 HB1 ALA 27 HB1 ALA 27 14.685 -15.901 -0.804 204 HB2 ALA 27 HB2 ALA 27 15.710 -14.539 -1.254 205 HB3 ALA 27 HB3 ALA 27 15.690 -15.113 0.417 206 H SER 28 H SER 28 18.441 -15.549 -2.655 207 HA SER 28 HA SER 28 20.826 -15.336 -1.248 208 HB2 SER 28 HB2 SER 28 20.002 -13.540 -3.567 209 HB3 SER 28 HB3 SER 28 21.646 -13.986 -3.099 210 HG SER 28 HG SER 28 20.160 -15.203 -4.824 211 H GLU 29 H GLU 29 21.721 -13.770 0.077 212 HA GLU 29 HA GLU 29 19.902 -12.064 1.488 213 HB2 GLU 29 HB2 GLU 29 22.934 -12.313 1.671 214 HB3 GLU 29 HB3 GLU 29 21.932 -11.428 2.821 215 HG2 GLU 29 HG2 GLU 29 20.810 -13.494 3.482 216 HG3 GLU 29 HG3 GLU 29 21.708 -14.405 2.270 217 H GLN 30 H GLN 30 22.252 -11.582 -1.052 218 HA GLN 30 HA GLN 30 22.303 -8.747 -1.149 219 HB2 GLN 30 HB2 GLN 30 22.678 -10.813 -3.361 220 HB3 GLN 30 HB3 GLN 30 23.095 -9.107 -3.504 221 HG2 GLN 30 HG2 GLN 30 24.370 -11.068 -1.565 222 HG3 GLN 30 HG3 GLN 30 25.068 -10.541 -3.093 223 HE21 GLN 30 HE21 GLN 30 25.893 -8.459 -3.263 224 HE22 GLN 30 HE22 GLN 30 26.212 -7.465 -1.892 225 H ALA 31 H ALA 31 20.111 -11.164 -2.496 226 HA ALA 31 HA ALA 31 18.568 -9.328 -4.098 227 HB1 ALA 31 HB1 ALA 31 17.892 -12.138 -3.156 228 HB2 ALA 31 HB2 ALA 31 18.677 -11.715 -4.678 229 HB3 ALA 31 HB3 ALA 31 17.007 -11.221 -4.380 230 H ILE 32 H ILE 32 17.724 -11.130 -1.051 231 HA ILE 32 HA ILE 32 15.862 -9.695 0.110 232 HB ILE 32 HB ILE 32 18.464 -10.488 1.487 233 HG12 ILE 32 HG12 ILE 32 17.373 -12.369 0.354 234 HG13 ILE 32 HG13 ILE 32 17.255 -12.560 2.094 235 HG21 ILE 32 HG21 ILE 32 15.780 -9.900 2.792 236 HG22 ILE 32 HG22 ILE 32 17.258 -8.951 2.964 237 HG23 ILE 32 HG23 ILE 32 17.186 -10.591 3.609 238 HD11 ILE 32 HD11 ILE 32 15.071 -11.632 0.249 239 HD12 ILE 32 HD12 ILE 32 14.925 -11.792 2.003 240 HD13 ILE 32 HD13 ILE 32 15.219 -13.214 1.005 241 H ALA 33 H ALA 33 19.055 -8.374 -0.469 242 HA ALA 33 HA ALA 33 18.750 -6.078 1.292 243 HB1 ALA 33 HB1 ALA 33 20.877 -5.310 0.300 244 HB2 ALA 33 HB2 ALA 33 20.805 -6.605 -0.897 245 HB3 ALA 33 HB3 ALA 33 20.997 -6.994 0.815 246 H ASP 34 H ASP 34 19.124 -6.468 -2.184 247 HA ASP 34 HA ASP 34 18.324 -4.065 -3.206 248 HB2 ASP 34 HB2 ASP 34 19.381 -5.845 -4.520 249 HB3 ASP 34 HB3 ASP 34 17.966 -6.874 -4.329 250 H ALA 35 H ALA 35 16.224 -6.825 -2.494 251 HA ALA 35 HA ALA 35 13.836 -5.569 -3.532 252 HB1 ALA 35 HB1 ALA 35 14.135 -7.967 -3.872 253 HB2 ALA 35 HB2 ALA 35 12.677 -7.655 -2.911 254 HB3 ALA 35 HB3 ALA 35 14.155 -8.234 -2.125 255 H ARG 36 H ARG 36 15.277 -6.018 -0.312 256 HA ARG 36 HA ARG 36 13.031 -5.105 1.185 257 HB2 ARG 36 HB2 ARG 36 14.981 -5.990 2.403 258 HB3 ARG 36 HB3 ARG 36 15.997 -4.684 1.795 259 HG2 ARG 36 HG2 ARG 36 14.695 -3.033 3.061 260 HG3 ARG 36 HG3 ARG 36 13.591 -4.293 3.623 261 HD2 ARG 36 HD2 ARG 36 15.161 -3.738 5.385 262 HD3 ARG 36 HD3 ARG 36 15.480 -5.373 4.813 263 HE ARG 36 HE ARG 36 17.205 -3.751 3.385 264 HH11 ARG 36 HH11 ARG 36 16.666 -4.466 6.770 265 HH12 ARG 36 HH12 ARG 36 18.300 -4.132 7.232 266 HH21 ARG 36 HH21 ARG 36 19.382 -3.359 4.010 267 HH22 ARG 36 HH22 ARG 36 19.836 -3.538 5.675 268 H LYS 37 H LYS 37 15.848 -3.384 -0.126 269 HA LYS 37 HA LYS 37 15.156 -0.741 0.230 270 HB2 LYS 37 HB2 LYS 37 17.354 -1.375 -0.628 271 HB3 LYS 37 HB3 LYS 37 16.631 -2.102 -2.054 272 HG2 LYS 37 HG2 LYS 37 15.788 0.381 -2.520 273 HG3 LYS 37 HG3 LYS 37 17.104 0.805 -1.433 274 HD2 LYS 37 HD2 LYS 37 17.858 0.908 -3.761 275 HD3 LYS 37 HD3 LYS 37 18.704 -0.398 -2.925 276 HE2 LYS 37 HE2 LYS 37 17.142 -2.044 -3.926 277 HE3 LYS 37 HE3 LYS 37 16.278 -0.740 -4.739 278 HZ1 LYS 37 HZ1 LYS 37 18.179 -0.296 -6.070 279 HZ2 LYS 37 HZ2 LYS 37 17.854 -1.957 -6.149 280 HZ3 LYS 37 HZ3 LYS 37 19.131 -1.389 -5.201 281 H ALA 38 H ALA 38 13.992 -3.011 -2.240 282 HA ALA 38 HA ALA 38 13.064 -0.906 -4.019 283 HB1 ALA 38 HB1 ALA 38 12.492 -2.755 -5.556 284 HB2 ALA 38 HB2 ALA 38 12.909 -3.934 -4.308 285 HB3 ALA 38 HB3 ALA 38 14.159 -2.891 -4.986 286 H THR 39 H THR 39 11.732 -3.421 -1.871 287 HA THR 39 HA THR 39 8.986 -3.083 -2.559 288 HB THR 39 HB THR 39 10.291 -4.278 -0.080 289 HG1 THR 39 HG1 THR 39 10.418 -5.404 -2.102 290 HG21 THR 39 HG21 THR 39 7.318 -4.270 -0.739 291 HG22 THR 39 HG22 THR 39 8.083 -3.453 0.632 292 HG23 THR 39 HG23 THR 39 8.084 -5.216 0.529 293 H ILE 40 H ILE 40 11.042 -1.751 0.074 294 HA ILE 40 HA ILE 40 9.143 -0.089 1.321 295 HB ILE 40 HB ILE 40 12.167 0.242 0.965 296 HG12 ILE 40 HG12 ILE 40 11.376 -1.718 2.335 297 HG13 ILE 40 HG13 ILE 40 12.364 -0.585 3.248 298 HG21 ILE 40 HG21 ILE 40 11.273 2.474 1.334 299 HG22 ILE 40 HG22 ILE 40 12.111 1.928 2.786 300 HG23 ILE 40 HG23 ILE 40 10.346 1.914 2.730 301 HD11 ILE 40 HD11 ILE 40 9.351 -0.771 3.353 302 HD12 ILE 40 HD12 ILE 40 10.355 0.332 4.299 303 HD13 ILE 40 HD13 ILE 40 10.480 -1.408 4.548 304 H LEU 41 H LEU 41 11.553 0.747 -1.155 305 HA LEU 41 HA LEU 41 10.852 3.350 -1.775 306 HB2 LEU 41 HB2 LEU 41 12.925 2.577 -2.506 307 HB3 LEU 41 HB3 LEU 41 12.283 1.113 -3.204 308 HG LEU 41 HG LEU 41 11.624 3.726 -4.561 309 HD11 LEU 41 HD11 LEU 41 14.065 3.869 -4.132 310 HD12 LEU 41 HD12 LEU 41 13.738 3.637 -5.846 311 HD13 LEU 41 HD13 LEU 41 14.292 2.276 -4.863 312 HD21 LEU 41 HD21 LEU 41 12.218 0.932 -5.608 313 HD22 LEU 41 HD22 LEU 41 11.768 2.325 -6.600 314 HD23 LEU 41 HD23 LEU 41 10.617 1.667 -5.440 315 H GLN 42 H GLN 42 9.356 0.390 -2.895 316 HA GLN 42 HA GLN 42 7.863 1.543 -5.098 317 HB2 GLN 42 HB2 GLN 42 8.505 -0.746 -5.366 318 HB3 GLN 42 HB3 GLN 42 7.965 -1.178 -3.750 319 HG2 GLN 42 HG2 GLN 42 5.624 -0.979 -4.449 320 HG3 GLN 42 HG3 GLN 42 6.128 -0.462 -6.061 321 HE21 GLN 42 HE21 GLN 42 7.020 -2.000 -7.481 322 HE22 GLN 42 HE22 GLN 42 6.900 -3.705 -7.193 323 H THR 43 H THR 43 7.199 0.220 -1.909 324 HA THR 43 HA THR 43 4.402 0.392 -1.880 325 HB THR 43 HB THR 43 6.366 0.281 0.450 326 HG1 THR 43 HG1 THR 43 6.373 -1.756 -0.071 327 HG21 THR 43 HG21 THR 43 3.350 -0.080 0.570 328 HG22 THR 43 HG22 THR 43 4.255 1.247 1.297 329 HG23 THR 43 HG23 THR 43 4.474 -0.399 1.893 330 H LEU 44 H LEU 44 6.851 2.583 -0.549 331 HA LEU 44 HA LEU 44 5.111 4.421 0.743 332 HB2 LEU 44 HB2 LEU 44 7.877 5.021 -0.363 333 HB3 LEU 44 HB3 LEU 44 7.054 5.838 0.954 334 HG LEU 44 HG LEU 44 8.248 3.057 0.987 335 HD11 LEU 44 HD11 LEU 44 9.888 4.815 1.137 336 HD12 LEU 44 HD12 LEU 44 9.757 3.967 2.673 337 HD13 LEU 44 HD13 LEU 44 9.019 5.560 2.485 338 HD21 LEU 44 HD21 LEU 44 6.164 3.032 2.292 339 HD22 LEU 44 HD22 LEU 44 6.762 4.384 3.261 340 HD23 LEU 44 HD23 LEU 44 7.593 2.827 3.307 341 H ARG 45 H ARG 45 6.807 4.547 -2.391 342 HA ARG 45 HA ARG 45 5.972 7.135 -3.178 343 HB2 ARG 45 HB2 ARG 45 7.973 5.849 -4.063 344 HB3 ARG 45 HB3 ARG 45 6.856 4.844 -4.985 345 HG2 ARG 45 HG2 ARG 45 6.097 6.855 -6.229 346 HG3 ARG 45 HG3 ARG 45 7.235 7.845 -5.310 347 HD2 ARG 45 HD2 ARG 45 9.097 6.405 -6.241 348 HD3 ARG 45 HD3 ARG 45 7.895 5.625 -7.280 349 HE ARG 45 HE ARG 45 7.945 8.504 -7.498 350 HH11 ARG 45 HH11 ARG 45 9.375 5.544 -8.761 351 HH12 ARG 45 HH12 ARG 45 9.927 6.303 -10.215 352 HH21 ARG 45 HH21 ARG 45 8.702 9.469 -9.383 353 HH22 ARG 45 HH22 ARG 45 9.538 8.522 -10.573 354 H ILE 46 H ILE 46 4.634 3.894 -3.785 355 HA ILE 46 HA ILE 46 2.429 4.733 -5.425 356 HB ILE 46 HB ILE 46 2.958 2.161 -3.873 357 HG12 ILE 46 HG12 ILE 46 3.027 2.750 -6.867 358 HG13 ILE 46 HG13 ILE 46 4.430 2.526 -5.831 359 HG21 ILE 46 HG21 ILE 46 0.616 2.689 -5.738 360 HG22 ILE 46 HG22 ILE 46 0.529 2.427 -3.995 361 HG23 ILE 46 HG23 ILE 46 1.052 1.119 -5.053 362 HD11 ILE 46 HD11 ILE 46 2.376 0.421 -6.534 363 HD12 ILE 46 HD12 ILE 46 3.752 0.182 -5.455 364 HD13 ILE 46 HD13 ILE 46 4.020 0.548 -7.157 365 H GLU 47 H GLU 47 2.933 4.309 -1.955 366 HA GLU 47 HA GLU 47 0.258 4.052 -1.095 367 HB2 GLU 47 HB2 GLU 47 2.747 3.904 0.139 368 HB3 GLU 47 HB3 GLU 47 2.113 5.371 0.850 369 HG2 GLU 47 HG2 GLU 47 0.877 2.614 0.942 370 HG3 GLU 47 HG3 GLU 47 1.655 3.454 2.274 371 H ARG 48 H ARG 48 2.342 6.899 -1.440 372 HA ARG 48 HA ARG 48 0.828 8.976 -0.397 373 HB2 ARG 48 HB2 ARG 48 3.141 9.203 -1.331 374 HB3 ARG 48 HB3 ARG 48 2.497 9.005 -2.958 375 HG2 ARG 48 HG2 ARG 48 1.129 11.116 -2.567 376 HG3 ARG 48 HG3 ARG 48 2.027 11.331 -1.063 377 HD2 ARG 48 HD2 ARG 48 3.028 12.704 -2.783 378 HD3 ARG 48 HD3 ARG 48 4.145 11.392 -2.395 379 HE ARG 48 HE ARG 48 3.428 10.278 -4.447 380 HH11 ARG 48 HH11 ARG 48 2.665 13.713 -4.227 381 HH12 ARG 48 HH12 ARG 48 2.517 13.908 -5.946 382 HH21 ARG 48 HH21 ARG 48 3.213 10.549 -6.688 383 HH22 ARG 48 HH22 ARG 48 2.819 12.106 -7.342 384 H ASP 49 H ASP 49 0.777 7.618 -3.660 385 HA ASP 49 HA ASP 49 -1.260 9.270 -4.758 386 HB2 ASP 49 HB2 ASP 49 0.577 8.055 -6.042 387 HB3 ASP 49 HB3 ASP 49 -0.300 6.556 -5.769 388 H GLU 50 H GLU 50 -1.223 6.079 -3.241 389 HA GLU 50 HA GLU 50 -3.817 5.192 -3.860 390 HB2 GLU 50 HB2 GLU 50 -2.105 4.564 -1.415 391 HB3 GLU 50 HB3 GLU 50 -3.588 3.707 -1.835 392 HG2 GLU 50 HG2 GLU 50 -1.104 3.817 -3.560 393 HG3 GLU 50 HG3 GLU 50 -1.521 2.498 -2.472 394 H ARG 51 H ARG 51 -2.655 7.275 -1.242 395 HA ARG 51 HA ARG 51 -5.148 7.335 0.229 396 HB2 ARG 51 HB2 ARG 51 -2.828 9.294 0.373 397 HB3 ARG 51 HB3 ARG 51 -4.063 9.037 1.605 398 HG2 ARG 51 HG2 ARG 51 -3.177 6.839 2.103 399 HG3 ARG 51 HG3 ARG 51 -2.067 6.940 0.737 400 HD2 ARG 51 HD2 ARG 51 -0.750 7.390 2.650 401 HD3 ARG 51 HD3 ARG 51 -1.016 8.953 1.885 402 HE ARG 51 HE ARG 51 -2.418 9.583 3.646 403 HH11 ARG 51 HH11 ARG 51 -1.253 6.295 4.096 404 HH12 ARG 51 HH12 ARG 51 -1.592 6.272 5.800 405 HH21 ARG 51 HH21 ARG 51 -2.857 9.543 5.891 406 HH22 ARG 51 HH22 ARG 51 -2.519 8.118 6.814 407 H LEU 52 H LEU 52 -3.546 9.395 -2.189 408 HA LEU 52 HA LEU 52 -5.328 11.591 -2.212 409 HB2 LEU 52 HB2 LEU 52 -3.605 10.444 -4.439 410 HB3 LEU 52 HB3 LEU 52 -4.412 12.002 -4.533 411 HG LEU 52 HG LEU 52 -2.279 11.301 -2.471 412 HD11 LEU 52 HD11 LEU 52 -0.761 12.723 -3.768 413 HD12 LEU 52 HD12 LEU 52 -1.991 12.914 -5.023 414 HD13 LEU 52 HD13 LEU 52 -1.298 11.322 -4.696 415 HD21 LEU 52 HD21 LEU 52 -3.577 13.962 -3.140 416 HD22 LEU 52 HD22 LEU 52 -2.247 13.716 -2.001 417 HD23 LEU 52 HD23 LEU 52 -3.827 13.008 -1.674 418 H ARG 53 H ARG 53 -5.337 8.559 -4.125 419 HA ARG 53 HA ARG 53 -7.852 9.161 -5.431 420 HB2 ARG 53 HB2 ARG 53 -7.697 6.892 -6.405 421 HB3 ARG 53 HB3 ARG 53 -6.212 7.807 -6.636 422 HG2 ARG 53 HG2 ARG 53 -5.097 6.567 -4.881 423 HG3 ARG 53 HG3 ARG 53 -6.589 5.736 -4.453 424 HD2 ARG 53 HD2 ARG 53 -5.052 4.304 -5.755 425 HD3 ARG 53 HD3 ARG 53 -6.587 4.556 -6.591 426 HE ARG 53 HE ARG 53 -5.040 6.481 -7.670 427 HH11 ARG 53 HH11 ARG 53 -4.212 3.132 -7.098 428 HH12 ARG 53 HH12 ARG 53 -3.383 2.955 -8.605 429 HH21 ARG 53 HH21 ARG 53 -3.901 6.257 -9.615 430 HH22 ARG 53 HH22 ARG 53 -3.195 4.728 -10.031 431 H ALA 54 H ALA 54 -6.961 7.743 -2.392 432 HA ALA 54 HA ALA 54 -9.393 6.241 -1.948 433 HB1 ALA 54 HB1 ALA 54 -7.327 5.679 -0.721 434 HB2 ALA 54 HB2 ALA 54 -8.642 6.056 0.390 435 HB3 ALA 54 HB3 ALA 54 -7.367 7.244 0.092 436 H CYS 55 H CYS 55 -8.322 9.560 -1.359 437 HA CYS 55 HA CYS 55 -10.730 10.249 0.189 438 HB2 CYS 55 HB2 CYS 55 -9.607 12.444 0.528 439 HB3 CYS 55 HB3 CYS 55 -8.576 11.107 1.016 440 HG CYS 55 HG CYS 55 -6.596 11.605 -0.550 441 H ASP 56 H ASP 56 -10.508 9.664 -2.881 442 HA ASP 56 HA ASP 56 -11.216 12.069 -4.245 443 HB2 ASP 56 HB2 ASP 56 -11.601 10.714 -6.172 444 HB3 ASP 56 HB3 ASP 56 -10.275 9.939 -5.315 445 H TRP 57 H TRP 57 -13.015 9.754 -2.377 446 HA TRP 57 HA TRP 57 -15.622 10.130 -3.381 447 HB2 TRP 57 HB2 TRP 57 -16.402 8.975 -1.419 448 HB3 TRP 57 HB3 TRP 57 -14.867 8.242 -1.863 449 HD1 TRP 57 HD1 TRP 57 -12.735 8.806 -0.206 450 HE1 TRP 57 HE1 TRP 57 -12.681 9.383 2.295 451 HE3 TRP 57 HE3 TRP 57 -17.636 10.153 0.439 452 HZ2 TRP 57 HZ2 TRP 57 -14.454 10.287 4.290 453 HZ3 TRP 57 HZ3 TRP 57 -18.377 10.864 2.680 454 HH2 TRP 57 HH2 TRP 57 -16.818 10.930 4.561 455 H THR 58 H THR 58 -13.685 12.149 -1.321 456 HA THR 58 HA THR 58 -15.920 13.727 -0.283 457 HB THR 58 HB THR 58 -14.183 15.094 0.805 458 HG1 THR 58 HG1 THR 58 -12.026 13.580 0.039 459 HG21 THR 58 HG21 THR 58 -13.540 12.138 1.019 460 HG22 THR 58 HG22 THR 58 -14.794 12.991 1.928 461 HG23 THR 58 HG23 THR 58 -13.096 13.380 2.189 462 H GLN 59 H GLN 59 -13.733 13.693 -2.951 463 HA GLN 59 HA GLN 59 -13.902 16.511 -3.625 464 HB2 GLN 59 HB2 GLN 59 -12.646 14.196 -5.174 465 HB3 GLN 59 HB3 GLN 59 -12.385 15.910 -5.478 466 HG2 GLN 59 HG2 GLN 59 -11.531 14.384 -2.996 467 HG3 GLN 59 HG3 GLN 59 -10.473 14.919 -4.301 468 HE21 GLN 59 HE21 GLN 59 -12.254 15.901 -1.466 469 HE22 GLN 59 HE22 GLN 59 -11.614 17.501 -1.359 470 H VAL 60 H VAL 60 -15.579 13.563 -4.486 471 HA VAL 60 HA VAL 60 -16.530 14.313 -7.059 472 HB VAL 60 HB VAL 60 -18.199 12.521 -6.878 473 HG11 VAL 60 HG11 VAL 60 -15.900 11.884 -7.465 474 HG12 VAL 60 HG12 VAL 60 -16.678 10.595 -6.551 475 HG13 VAL 60 HG13 VAL 60 -15.504 11.648 -5.761 476 HG21 VAL 60 HG21 VAL 60 -17.388 12.246 -3.951 477 HG22 VAL 60 HG22 VAL 60 -18.471 11.158 -4.825 478 HG23 VAL 60 HG23 VAL 60 -18.944 12.835 -4.548 479 H GLN 61 H GLN 61 -18.588 14.979 -7.728 480 HA GLN 61 HA GLN 61 -19.752 17.146 -6.278 481 HB2 GLN 61 HB2 GLN 61 -21.257 17.376 -8.211 482 HB3 GLN 61 HB3 GLN 61 -19.608 17.103 -8.763 483 HG2 GLN 61 HG2 GLN 61 -20.108 14.780 -9.292 484 HG3 GLN 61 HG3 GLN 61 -21.727 14.933 -8.608 485 HE21 GLN 61 HE21 GLN 61 -22.783 14.377 -10.502 486 HE22 GLN 61 HE22 GLN 61 -22.802 15.386 -11.905 487 H ASP 62 H ASP 62 -20.362 13.783 -6.329 488 HA ASP 62 HA ASP 62 -23.180 13.765 -5.902 489 HB2 ASP 62 HB2 ASP 62 -22.048 11.869 -6.948 490 HB3 ASP 62 HB3 ASP 62 -21.066 11.606 -5.506 491 H VAL 63 H VAL 63 -20.379 13.630 -3.729 492 HA VAL 63 HA VAL 63 -21.815 12.751 -1.414 493 HB VAL 63 HB VAL 63 -19.361 12.333 -1.778 494 HG11 VAL 63 HG11 VAL 63 -18.673 14.536 -2.637 495 HG12 VAL 63 HG12 VAL 63 -17.699 14.069 -1.244 496 HG13 VAL 63 HG13 VAL 63 -18.984 15.263 -1.058 497 HG21 VAL 63 HG21 VAL 63 -18.684 12.647 0.586 498 HG22 VAL 63 HG22 VAL 63 -20.332 12.027 0.449 499 HG23 VAL 63 HG23 VAL 63 -20.058 13.732 0.827 500 H VAL 64 H VAL 64 -22.588 13.904 0.331 501 HA VAL 64 HA VAL 64 -22.972 16.805 -0.073 502 HB VAL 64 HB VAL 64 -25.093 15.643 -0.024 503 HG11 VAL 64 HG11 VAL 64 -24.347 14.442 2.659 504 HG12 VAL 64 HG12 VAL 64 -24.495 13.579 1.128 505 HG13 VAL 64 HG13 VAL 64 -25.926 14.300 1.873 506 HG21 VAL 64 HG21 VAL 64 -25.068 17.858 1.050 507 HG22 VAL 64 HG22 VAL 64 -24.720 17.119 2.614 508 HG23 VAL 64 HG23 VAL 64 -26.262 16.809 1.815 509 H LEU 65 H LEU 65 -21.040 17.462 0.732 510 HA LEU 65 HA LEU 65 -20.652 17.309 3.673 511 HB2 LEU 65 HB2 LEU 65 -18.561 17.698 1.485 512 HB3 LEU 65 HB3 LEU 65 -18.233 17.749 3.207 513 HG LEU 65 HG LEU 65 -19.212 15.284 1.717 514 HD11 LEU 65 HD11 LEU 65 -16.935 14.410 1.917 515 HD12 LEU 65 HD12 LEU 65 -16.386 15.944 2.602 516 HD13 LEU 65 HD13 LEU 65 -16.988 15.875 0.942 517 HD21 LEU 65 HD21 LEU 65 -18.192 15.575 4.564 518 HD22 LEU 65 HD22 LEU 65 -18.605 14.053 3.765 519 HD23 LEU 65 HD23 LEU 65 -19.858 15.253 4.069 520 H THR 66 H THR 66 -19.848 19.358 4.600 521 HA THR 66 HA THR 66 -21.004 21.725 3.405 522 HB THR 66 HB THR 66 -20.024 22.925 5.374 523 HG1 THR 66 HG1 THR 66 -18.779 21.808 6.855 524 HG21 THR 66 HG21 THR 66 -21.467 20.355 6.152 525 HG22 THR 66 HG22 THR 66 -22.250 21.852 5.632 526 HG23 THR 66 HG23 THR 66 -21.333 21.810 7.139 527 H ALA 67 H ALA 67 -19.644 23.762 3.189 528 HA ALA 67 HA ALA 67 -17.557 23.493 1.336 529 HB1 ALA 67 HB1 ALA 67 -18.879 25.554 1.569 530 HB2 ALA 67 HB2 ALA 67 -17.153 25.901 1.689 531 HB3 ALA 67 HB3 ALA 67 -18.151 25.857 3.147 532 H ASP 68 H ASP 68 -17.386 24.284 4.819 533 HA ASP 68 HA ASP 68 -14.698 24.270 5.338 534 HB2 ASP 68 HB2 ASP 68 -16.985 23.216 7.030 535 HB3 ASP 68 HB3 ASP 68 -15.342 23.334 7.644 536 H GLN 69 H GLN 69 -16.801 21.377 5.339 537 HA GLN 69 HA GLN 69 -14.820 19.443 5.998 538 HB2 GLN 69 HB2 GLN 69 -17.515 19.180 4.615 539 HB3 GLN 69 HB3 GLN 69 -16.478 17.774 4.859 540 HG2 GLN 69 HG2 GLN 69 -16.545 18.102 7.279 541 HG3 GLN 69 HG3 GLN 69 -17.502 19.567 7.079 542 HE21 GLN 69 HE21 GLN 69 -19.685 19.392 6.612 543 HE22 GLN 69 HE22 GLN 69 -20.552 17.900 6.701 544 H LYS 70 H LYS 70 -16.153 20.304 2.797 545 HA LYS 70 HA LYS 70 -14.508 18.569 1.260 546 HB2 LYS 70 HB2 LYS 70 -16.375 20.851 0.637 547 HB3 LYS 70 HB3 LYS 70 -15.256 20.347 -0.629 548 HG2 LYS 70 HG2 LYS 70 -16.148 18.141 -0.707 549 HG3 LYS 70 HG3 LYS 70 -17.064 18.372 0.780 550 HD2 LYS 70 HD2 LYS 70 -18.618 19.854 -0.296 551 HD3 LYS 70 HD3 LYS 70 -17.604 19.966 -1.742 552 HE2 LYS 70 HE2 LYS 70 -18.949 17.411 -0.783 553 HE3 LYS 70 HE3 LYS 70 -19.620 18.480 -2.010 554 HZ1 LYS 70 HZ1 LYS 70 -17.047 17.007 -2.199 555 HZ2 LYS 70 HZ2 LYS 70 -17.629 18.082 -3.360 556 HZ3 LYS 70 HZ3 LYS 70 -18.470 16.654 -3.043 557 H ALA 71 H ALA 71 -13.781 21.568 2.726 558 HA ALA 71 HA ALA 71 -11.765 22.396 0.729 559 HB1 ALA 71 HB1 ALA 71 -12.605 23.734 3.334 560 HB2 ALA 71 HB2 ALA 71 -13.137 24.191 1.715 561 HB3 ALA 71 HB3 ALA 71 -11.444 24.389 2.173 562 H THR 72 H THR 72 -11.989 21.713 4.189 563 HA THR 72 HA THR 72 -9.355 21.237 4.886 564 HB THR 72 HB THR 72 -11.670 19.591 6.026 565 HG1 THR 72 HG1 THR 72 -11.695 22.122 5.934 566 HG21 THR 72 HG21 THR 72 -9.380 18.914 6.774 567 HG22 THR 72 HG22 THR 72 -10.335 19.589 8.094 568 HG23 THR 72 HG23 THR 72 -9.085 20.564 7.318 569 H TRP 73 H TRP 73 -11.555 18.968 3.270 570 HA TRP 73 HA TRP 73 -9.725 16.728 3.260 571 HB2 TRP 73 HB2 TRP 73 -12.411 17.262 1.964 572 HB3 TRP 73 HB3 TRP 73 -11.456 15.877 1.449 573 HD1 TRP 73 HD1 TRP 73 -13.868 16.893 4.147 574 HE1 TRP 73 HE1 TRP 73 -14.103 14.984 5.839 575 HE3 TRP 73 HE3 TRP 73 -9.910 14.005 2.669 576 HZ2 TRP 73 HZ2 TRP 73 -12.812 12.574 6.468 577 HZ3 TRP 73 HZ3 TRP 73 -9.483 11.901 3.879 578 HH2 TRP 73 HH2 TRP 73 -10.907 11.208 5.740 579 H ALA 74 H ALA 74 -10.658 19.220 0.883 580 HA ALA 74 HA ALA 74 -8.939 18.358 -1.230 581 HB1 ALA 74 HB1 ALA 74 -9.294 20.613 -2.172 582 HB2 ALA 74 HB2 ALA 74 -10.019 21.137 -0.647 583 HB3 ALA 74 HB3 ALA 74 -10.813 19.902 -1.621 584 H LYS 75 H LYS 75 -8.404 19.996 1.751 585 HA LYS 75 HA LYS 75 -5.851 21.229 1.108 586 HB2 LYS 75 HB2 LYS 75 -7.327 22.231 2.838 587 HB3 LYS 75 HB3 LYS 75 -7.252 20.748 3.786 588 HG2 LYS 75 HG2 LYS 75 -4.754 21.121 4.003 589 HG3 LYS 75 HG3 LYS 75 -4.987 22.696 3.241 590 HD2 LYS 75 HD2 LYS 75 -6.247 21.778 5.856 591 HD3 LYS 75 HD3 LYS 75 -4.860 22.858 5.706 592 HE2 LYS 75 HE2 LYS 75 -6.325 24.496 4.498 593 HE3 LYS 75 HE3 LYS 75 -7.700 23.421 4.784 594 HZ1 LYS 75 HZ1 LYS 75 -6.023 24.554 6.951 595 HZ2 LYS 75 HZ2 LYS 75 -7.492 23.726 7.106 596 HZ3 LYS 75 HZ3 LYS 75 -7.454 25.261 6.404 597 H TYR 76 H TYR 76 -7.074 18.348 2.803 598 HA TYR 76 HA TYR 76 -4.640 17.190 3.604 599 HB2 TYR 76 HB2 TYR 76 -6.740 16.267 4.437 600 HB3 TYR 76 HB3 TYR 76 -7.291 15.903 2.805 601 HD1 TYR 76 HD1 TYR 76 -3.956 15.161 4.386 602 HD2 TYR 76 HD2 TYR 76 -7.582 13.509 2.836 603 HE1 TYR 76 HE1 TYR 76 -3.015 12.923 4.555 604 HE2 TYR 76 HE2 TYR 76 -6.627 11.249 3.030 605 HH TYR 76 HH TYR 76 -3.841 10.584 4.782 606 H ARG 77 H ARG 77 -6.478 16.923 0.588 607 HA ARG 77 HA ARG 77 -4.754 15.160 -0.793 608 HB2 ARG 77 HB2 ARG 77 -7.147 15.651 -1.410 609 HB3 ARG 77 HB3 ARG 77 -6.649 17.255 -1.951 610 HG2 ARG 77 HG2 ARG 77 -5.318 16.306 -3.750 611 HG3 ARG 77 HG3 ARG 77 -5.576 14.671 -3.139 612 HD2 ARG 77 HD2 ARG 77 -7.983 14.842 -3.640 613 HD3 ARG 77 HD3 ARG 77 -7.747 16.496 -4.214 614 HE ARG 77 HE ARG 77 -6.373 15.594 -6.032 615 HH11 ARG 77 HH11 ARG 77 -8.391 13.244 -4.353 616 HH12 ARG 77 HH12 ARG 77 -8.498 12.190 -5.726 617 HH21 ARG 77 HH21 ARG 77 -6.528 14.193 -7.812 618 HH22 ARG 77 HH22 ARG 77 -7.447 12.725 -7.687 619 H GLN 78 H GLN 78 -5.021 18.740 -0.810 620 HA GLN 78 HA GLN 78 -2.972 19.367 -2.575 621 HB2 GLN 78 HB2 GLN 78 -4.728 20.928 -1.756 622 HB3 GLN 78 HB3 GLN 78 -3.966 20.971 -0.177 623 HG2 GLN 78 HG2 GLN 78 -3.483 22.985 -1.493 624 HG3 GLN 78 HG3 GLN 78 -2.016 22.094 -1.098 625 HE21 GLN 78 HE21 GLN 78 -4.210 21.126 -3.704 626 HE22 GLN 78 HE22 GLN 78 -3.118 21.500 -4.985 627 H ALA 79 H ALA 79 -2.799 18.754 0.898 628 HA ALA 79 HA ALA 79 -0.118 19.663 1.284 629 HB1 ALA 79 HB1 ALA 79 -0.299 18.549 3.477 630 HB2 ALA 79 HB2 ALA 79 -1.790 17.756 2.957 631 HB3 ALA 79 HB3 ALA 79 -1.734 19.512 3.126 632 H LEU 80 H LEU 80 -1.548 16.378 1.023 633 HA LEU 80 HA LEU 80 0.875 14.953 1.142 634 HB2 LEU 80 HB2 LEU 80 -1.355 14.073 1.753 635 HB3 LEU 80 HB3 LEU 80 -1.878 14.210 0.081 636 HG LEU 80 HG LEU 80 -0.344 12.428 -0.601 637 HD11 LEU 80 HD11 LEU 80 0.541 12.297 2.295 638 HD12 LEU 80 HD12 LEU 80 1.515 12.830 0.921 639 HD13 LEU 80 HD13 LEU 80 0.981 11.156 1.021 640 HD21 LEU 80 HD21 LEU 80 -1.962 11.625 1.832 641 HD22 LEU 80 HD22 LEU 80 -1.403 10.556 0.539 642 HD23 LEU 80 HD23 LEU 80 -2.582 11.816 0.187 643 H ARG 81 H ARG 81 -0.905 16.357 -1.622 644 HA ARG 81 HA ARG 81 0.701 14.950 -3.603 645 HB2 ARG 81 HB2 ARG 81 -0.563 16.031 -5.293 646 HB3 ARG 81 HB3 ARG 81 -1.713 15.730 -3.996 647 HG2 ARG 81 HG2 ARG 81 -1.459 18.115 -3.279 648 HG3 ARG 81 HG3 ARG 81 -0.396 18.385 -4.661 649 HD2 ARG 81 HD2 ARG 81 -3.330 17.622 -4.731 650 HD3 ARG 81 HD3 ARG 81 -2.628 19.169 -5.207 651 HE ARG 81 HE ARG 81 -2.776 16.745 -6.750 652 HH11 ARG 81 HH11 ARG 81 -0.975 19.770 -6.427 653 HH12 ARG 81 HH12 ARG 81 -0.476 19.775 -8.090 654 HH21 ARG 81 HH21 ARG 81 -2.095 16.771 -8.898 655 HH22 ARG 81 HH22 ARG 81 -1.107 18.070 -9.487 656 H ASP 82 H ASP 82 0.857 18.000 -1.873 657 HA ASP 82 HA ASP 82 2.774 19.397 -3.404 658 HB2 ASP 82 HB2 ASP 82 1.639 20.527 -1.562 659 HB3 ASP 82 HB3 ASP 82 2.293 19.388 -0.392 660 H LEU 83 H LEU 83 3.137 16.845 -0.977 661 HA LEU 83 HA LEU 83 5.954 16.469 -1.222 662 HB2 LEU 83 HB2 LEU 83 3.818 14.370 -0.630 663 HB3 LEU 83 HB3 LEU 83 5.531 14.257 -0.248 664 HG LEU 83 HG LEU 83 3.567 16.210 1.033 665 HD11 LEU 83 HD11 LEU 83 3.778 14.848 3.046 666 HD12 LEU 83 HD12 LEU 83 4.831 13.711 2.197 667 HD13 LEU 83 HD13 LEU 83 3.143 13.893 1.706 668 HD21 LEU 83 HD21 LEU 83 5.816 17.161 0.928 669 HD22 LEU 83 HD22 LEU 83 6.493 15.712 1.675 670 HD23 LEU 83 HD23 LEU 83 5.395 16.751 2.588 671 HA PRO 84 HA PRO 84 5.378 15.515 -5.572 672 HB2 PRO 84 HB2 PRO 84 8.312 15.083 -5.780 673 HB3 PRO 84 HB3 PRO 84 7.319 16.376 -6.462 674 HG2 PRO 84 HG2 PRO 84 9.059 16.815 -4.435 675 HG3 PRO 84 HG3 PRO 84 7.533 17.719 -4.575 676 HD2 PRO 84 HD2 PRO 84 8.164 15.315 -2.838 677 HD3 PRO 84 HD3 PRO 84 7.336 16.831 -2.403 678 H GLU 85 H GLU 85 6.364 13.918 -7.248 679 HA GLU 85 HA GLU 85 5.981 11.202 -6.260 680 HB2 GLU 85 HB2 GLU 85 5.862 10.496 -8.585 681 HB3 GLU 85 HB3 GLU 85 4.829 11.894 -8.347 682 HG2 GLU 85 HG2 GLU 85 7.578 11.962 -9.632 683 HG3 GLU 85 HG3 GLU 85 6.060 11.881 -10.521 684 H THR 86 H THR 86 8.182 12.135 -5.112 685 HA THR 86 HA THR 86 10.686 11.876 -6.375 686 HB THR 86 HB THR 86 11.563 11.698 -3.970 687 HG1 THR 86 HG1 THR 86 9.549 10.667 -3.186 688 HG21 THR 86 HG21 THR 86 10.901 13.972 -3.293 689 HG22 THR 86 HG22 THR 86 9.576 13.945 -4.459 690 HG23 THR 86 HG23 THR 86 11.249 13.919 -5.025 691 H VAL 87 H VAL 87 12.348 10.220 -5.794 692 HA VAL 87 HA VAL 87 11.662 7.623 -6.520 693 HB VAL 87 HB VAL 87 14.100 8.491 -4.896 694 HG11 VAL 87 HG11 VAL 87 15.239 6.522 -5.865 695 HG12 VAL 87 HG12 VAL 87 13.735 6.030 -6.646 696 HG13 VAL 87 HG13 VAL 87 13.852 6.049 -4.883 697 HG21 VAL 87 HG21 VAL 87 15.276 8.719 -7.061 698 HG22 VAL 87 HG22 VAL 87 13.898 9.818 -6.959 699 HG23 VAL 87 HG23 VAL 87 13.780 8.342 -7.920 700 H THR 88 H THR 88 12.012 9.095 -3.328 701 HA THR 88 HA THR 88 11.400 8.594 -1.233 702 HB THR 88 HB THR 88 9.329 6.613 -2.266 703 HG1 THR 88 HG1 THR 88 8.980 8.263 -3.641 704 HG21 THR 88 HG21 THR 88 7.917 7.628 -0.490 705 HG22 THR 88 HG22 THR 88 9.232 8.726 -0.059 706 HG23 THR 88 HG23 THR 88 9.417 6.989 0.191 707 H ASP 89 H ASP 89 13.547 7.233 -2.339 708 HA ASP 89 HA ASP 89 13.669 4.461 -1.786 709 HB2 ASP 89 HB2 ASP 89 15.158 5.473 -3.403 710 HB3 ASP 89 HB3 ASP 89 15.785 6.603 -2.205 711 H LEU 90 H LEU 90 13.192 3.844 0.241 712 HA LEU 90 HA LEU 90 13.369 3.336 2.420 713 HB2 LEU 90 HB2 LEU 90 16.170 4.479 2.139 714 HB3 LEU 90 HB3 LEU 90 15.612 3.574 3.537 715 HG LEU 90 HG LEU 90 15.905 2.483 0.702 716 HD11 LEU 90 HD11 LEU 90 17.520 1.851 3.199 717 HD12 LEU 90 HD12 LEU 90 18.064 2.829 1.834 718 HD13 LEU 90 HD13 LEU 90 17.725 1.117 1.604 719 HD21 LEU 90 HD21 LEU 90 15.354 0.275 1.674 720 HD22 LEU 90 HD22 LEU 90 14.012 1.407 1.789 721 HD23 LEU 90 HD23 LEU 90 14.984 1.054 3.219 722 H SER 91 H SER 91 12.599 6.168 1.520 723 HA SER 91 HA SER 91 13.391 7.977 3.595 724 HB2 SER 91 HB2 SER 91 11.160 8.226 1.523 725 HB3 SER 91 HB3 SER 91 11.870 9.546 2.462 726 HG SER 91 HG SER 91 13.909 8.955 1.443 727 H GLN 92 H GLN 92 12.533 8.042 5.654 728 HA GLN 92 HA GLN 92 10.335 6.476 6.505 729 HB2 GLN 92 HB2 GLN 92 11.601 8.888 7.857 730 HB3 GLN 92 HB3 GLN 92 10.484 7.764 8.632 731 HG2 GLN 92 HG2 GLN 92 12.148 5.931 8.288 732 HG3 GLN 92 HG3 GLN 92 13.257 7.106 7.579 733 HE21 GLN 92 HE21 GLN 92 14.842 6.779 9.145 734 HE22 GLN 92 HE22 GLN 92 14.671 7.305 10.782 735 H ILE 93 H ILE 93 8.386 6.822 5.553 736 HA ILE 93 HA ILE 93 7.460 9.398 4.749 737 HB ILE 93 HB ILE 93 5.297 8.264 4.170 738 HG12 ILE 93 HG12 ILE 93 6.634 5.649 5.005 739 HG13 ILE 93 HG13 ILE 93 5.461 6.475 6.016 740 HG21 ILE 93 HG21 ILE 93 6.222 6.927 2.325 741 HG22 ILE 93 HG22 ILE 93 7.800 6.916 3.116 742 HG23 ILE 93 HG23 ILE 93 7.109 8.437 2.542 743 HD11 ILE 93 HD11 ILE 93 4.922 5.384 3.255 744 HD12 ILE 93 HD12 ILE 93 3.744 6.151 4.326 745 HD13 ILE 93 HD13 ILE 93 4.488 4.618 4.782 746 H VAL 94 H VAL 94 7.031 10.900 6.281 747 HA VAL 94 HA VAL 94 4.917 10.272 8.256 748 HB VAL 94 HB VAL 94 7.109 12.405 8.511 749 HG11 VAL 94 HG11 VAL 94 4.986 13.069 9.577 750 HG12 VAL 94 HG12 VAL 94 6.213 12.738 10.797 751 HG13 VAL 94 HG13 VAL 94 4.946 11.551 10.486 752 HG21 VAL 94 HG21 VAL 94 8.044 11.047 10.357 753 HG22 VAL 94 HG22 VAL 94 8.095 10.170 8.827 754 HG23 VAL 94 HG23 VAL 94 6.863 9.774 10.030 755 H TRP 95 H TRP 95 3.447 10.717 6.617 756 HA TRP 95 HA TRP 95 3.220 13.540 5.724 757 HB2 TRP 95 HB2 TRP 95 1.859 12.605 3.821 758 HB3 TRP 95 HB3 TRP 95 3.552 12.162 3.807 759 HD1 TRP 95 HD1 TRP 95 0.712 10.189 5.663 760 HE1 TRP 95 HE1 TRP 95 0.642 7.836 4.637 761 HE3 TRP 95 HE3 TRP 95 4.178 10.812 1.951 762 HZ2 TRP 95 HZ2 TRP 95 1.872 6.440 2.539 763 HZ3 TRP 95 HZ3 TRP 95 4.663 8.909 0.469 764 HH2 TRP 95 HH2 TRP 95 3.529 6.768 0.762 765 HA PRO 96 HA PRO 96 -0.526 14.153 7.919 766 HB2 PRO 96 HB2 PRO 96 -2.419 14.952 6.007 767 HB3 PRO 96 HB3 PRO 96 -1.204 16.009 6.738 768 HG2 PRO 96 HG2 PRO 96 -1.096 14.528 4.109 769 HG3 PRO 96 HG3 PRO 96 -0.641 16.211 4.462 770 HD2 PRO 96 HD2 PRO 96 1.242 14.335 4.242 771 HD3 PRO 96 HD3 PRO 96 1.378 15.568 5.521 772 H GLN 97 H GLN 97 -1.888 12.819 8.771 773 HA GLN 97 HA GLN 97 -3.224 10.641 7.351 774 HB2 GLN 97 HB2 GLN 97 -2.407 10.389 9.726 775 HB3 GLN 97 HB3 GLN 97 -3.578 11.598 10.233 776 HG2 GLN 97 HG2 GLN 97 -5.422 10.130 9.627 777 HG3 GLN 97 HG3 GLN 97 -4.305 8.941 8.958 778 HE21 GLN 97 HE21 GLN 97 -2.354 9.134 11.122 779 HE22 GLN 97 HE22 GLN 97 -3.080 8.369 12.487 780 H LEU 98 H LEU 98 -5.648 10.561 7.373 781 HA LEU 98 HA LEU 98 -6.830 12.803 6.269 782 HB2 LEU 98 HB2 LEU 98 -9.073 11.714 6.709 783 HB3 LEU 98 HB3 LEU 98 -7.902 10.768 5.822 784 HG LEU 98 HG LEU 98 -7.416 9.575 8.025 785 HD11 LEU 98 HD11 LEU 98 -10.028 10.866 8.872 786 HD12 LEU 98 HD12 LEU 98 -8.451 11.034 9.649 787 HD13 LEU 98 HD13 LEU 98 -9.277 9.482 9.679 788 HD21 LEU 98 HD21 LEU 98 -9.290 7.999 7.742 789 HD22 LEU 98 HD22 LEU 98 -8.608 8.493 6.193 790 HD23 LEU 98 HD23 LEU 98 -10.135 9.191 6.744 791 HA PRO 99 HA PRO 99 -7.195 15.685 9.500 792 HB2 PRO 99 HB2 PRO 99 -9.102 17.403 8.535 793 HB3 PRO 99 HB3 PRO 99 -7.493 17.252 7.814 794 HG2 PRO 99 HG2 PRO 99 -10.086 15.969 6.933 795 HG3 PRO 99 HG3 PRO 99 -8.864 16.802 5.943 796 HD2 PRO 99 HD2 PRO 99 -8.958 14.087 6.123 797 HD3 PRO 99 HD3 PRO 99 -7.421 14.961 5.952 798 H VAL 100 H VAL 100 -10.329 14.329 8.504 799 HA VAL 100 HA VAL 100 -11.649 15.186 10.969 800 HB VAL 100 HB VAL 100 -12.827 13.660 8.599 801 HG11 VAL 100 HG11 VAL 100 -15.013 14.470 9.489 802 HG12 VAL 100 HG12 VAL 100 -14.185 15.232 10.847 803 HG13 VAL 100 HG13 VAL 100 -14.163 13.475 10.672 804 HG21 VAL 100 HG21 VAL 100 -13.688 15.849 7.779 805 HG22 VAL 100 HG22 VAL 100 -11.924 15.833 7.816 806 HG23 VAL 100 HG23 VAL 100 -12.825 16.685 9.073 Start of MODEL 19 1 H MET 1 H MET 1 7.389 -3.359 7.373 2 HA MET 1 HA MET 1 6.285 -4.697 5.710 3 HB2 MET 1 HB2 MET 1 7.813 -3.940 3.704 4 HB3 MET 1 HB3 MET 1 7.098 -2.716 4.745 5 HG2 MET 1 HG2 MET 1 9.403 -2.154 4.245 6 HG3 MET 1 HG3 MET 1 9.225 -2.494 5.961 7 HE1 MET 1 HE1 MET 1 10.746 -3.620 2.560 8 HE2 MET 1 HE2 MET 1 9.673 -4.991 2.865 9 HE3 MET 1 HE3 MET 1 11.419 -5.208 2.943 10 H LEU 2 H LEU 2 6.397 -6.240 4.040 11 HA LEU 2 HA LEU 2 8.601 -8.222 4.217 12 HB2 LEU 2 HB2 LEU 2 6.924 -9.855 3.272 13 HB3 LEU 2 HB3 LEU 2 6.579 -9.287 4.887 14 HG LEU 2 HG LEU 2 4.945 -7.589 3.675 15 HD11 LEU 2 HD11 LEU 2 5.576 -8.070 1.368 16 HD12 LEU 2 HD12 LEU 2 3.885 -8.471 1.647 17 HD13 LEU 2 HD13 LEU 2 5.094 -9.758 1.562 18 HD21 LEU 2 HD21 LEU 2 3.094 -9.187 3.893 19 HD22 LEU 2 HD22 LEU 2 4.216 -9.309 5.247 20 HD23 LEU 2 HD23 LEU 2 4.248 -10.523 3.965 21 H LEU 3 H LEU 3 9.444 -9.027 2.229 22 HA LEU 3 HA LEU 3 9.579 -7.197 0.075 23 HB2 LEU 3 HB2 LEU 3 10.576 -10.012 0.551 24 HB3 LEU 3 HB3 LEU 3 10.761 -9.273 -1.030 25 HG LEU 3 HG LEU 3 12.264 -7.611 -0.205 26 HD11 LEU 3 HD11 LEU 3 12.902 -7.320 2.149 27 HD12 LEU 3 HD12 LEU 3 11.673 -8.496 2.627 28 HD13 LEU 3 HD13 LEU 3 11.195 -6.970 1.883 29 HD21 LEU 3 HD21 LEU 3 14.108 -8.931 0.707 30 HD22 LEU 3 HD22 LEU 3 13.267 -9.817 -0.564 31 HD23 LEU 3 HD23 LEU 3 12.989 -10.235 1.129 32 H HIS 4 H HIS 4 7.617 -6.843 -0.923 33 HA HIS 4 HA HIS 4 5.672 -8.400 -1.900 34 HB2 HIS 4 HB2 HIS 4 5.959 -5.923 -2.219 35 HB3 HIS 4 HB3 HIS 4 7.117 -6.242 -3.501 36 HD1 HIS 4 HD1 HIS 4 3.515 -5.969 -2.790 37 HD2 HIS 4 HD2 HIS 4 5.918 -7.265 -5.926 38 HE1 HIS 4 HE1 HIS 4 1.993 -6.154 -4.774 39 HE2 HIS 4 HE2 HIS 4 3.428 -7.104 -6.610 40 H SER 5 H SER 5 8.970 -8.397 -3.115 41 HA SER 5 HA SER 5 8.634 -10.931 -4.415 42 HB2 SER 5 HB2 SER 5 9.465 -10.124 -6.678 43 HB3 SER 5 HB3 SER 5 7.827 -9.604 -6.280 44 HG SER 5 HG SER 5 8.739 -7.588 -5.619 45 H VAL 6 H VAL 6 10.565 -12.010 -4.547 46 HA VAL 6 HA VAL 6 13.099 -10.591 -4.632 47 HB VAL 6 HB VAL 6 12.711 -10.884 -2.174 48 HG11 VAL 6 HG11 VAL 6 12.762 -13.877 -2.697 49 HG12 VAL 6 HG12 VAL 6 11.361 -12.941 -2.174 50 HG13 VAL 6 HG13 VAL 6 12.756 -13.106 -1.107 51 HG21 VAL 6 HG21 VAL 6 14.917 -11.895 -1.628 52 HG22 VAL 6 HG22 VAL 6 15.022 -10.801 -3.006 53 HG23 VAL 6 HG23 VAL 6 15.014 -12.546 -3.268 54 H GLU 7 H GLU 7 14.583 -11.711 -5.815 55 HA GLU 7 HA GLU 7 13.723 -14.135 -7.157 56 HB2 GLU 7 HB2 GLU 7 16.282 -12.499 -7.452 57 HB3 GLU 7 HB3 GLU 7 15.806 -13.843 -8.490 58 HG2 GLU 7 HG2 GLU 7 13.864 -12.613 -9.277 59 HG3 GLU 7 HG3 GLU 7 14.207 -11.288 -8.164 60 H THR 8 H THR 8 14.642 -16.085 -6.958 61 HA THR 8 HA THR 8 16.687 -16.663 -4.908 62 HB THR 8 HB THR 8 15.328 -18.699 -4.242 63 HG1 THR 8 HG1 THR 8 13.344 -17.448 -5.867 64 HG21 THR 8 HG21 THR 8 15.199 -16.675 -2.840 65 HG22 THR 8 HG22 THR 8 13.662 -17.537 -2.850 66 HG23 THR 8 HG23 THR 8 13.855 -16.072 -3.816 67 HA PRO 9 HA PRO 9 18.373 -19.306 -8.164 68 HB2 PRO 9 HB2 PRO 9 19.299 -21.519 -6.791 69 HB3 PRO 9 HB3 PRO 9 20.110 -19.947 -6.769 70 HG2 PRO 9 HG2 PRO 9 18.178 -21.104 -4.749 71 HG3 PRO 9 HG3 PRO 9 19.740 -20.299 -4.461 72 HD2 PRO 9 HD2 PRO 9 17.428 -18.960 -4.161 73 HD3 PRO 9 HD3 PRO 9 18.851 -18.158 -4.861 74 H ARG 10 H ARG 10 15.709 -20.364 -6.294 75 HA ARG 10 HA ARG 10 15.107 -22.660 -8.055 76 HB2 ARG 10 HB2 ARG 10 13.272 -23.127 -6.339 77 HB3 ARG 10 HB3 ARG 10 14.930 -23.316 -5.793 78 HG2 ARG 10 HG2 ARG 10 14.844 -21.158 -4.642 79 HG3 ARG 10 HG3 ARG 10 13.201 -20.888 -5.233 80 HD2 ARG 10 HD2 ARG 10 13.417 -21.728 -2.825 81 HD3 ARG 10 HD3 ARG 10 12.317 -22.627 -3.868 82 HE ARG 10 HE ARG 10 13.656 -24.475 -3.687 83 HH11 ARG 10 HH11 ARG 10 15.594 -21.774 -2.532 84 HH12 ARG 10 HH12 ARG 10 16.786 -22.804 -1.812 85 HH21 ARG 10 HH21 ARG 10 15.237 -25.777 -2.776 86 HH22 ARG 10 HH22 ARG 10 16.584 -25.062 -1.950 87 H GLY 11 H GLY 11 14.394 -19.396 -7.995 88 HA2 GLY 11 HA2 GLY 11 12.814 -19.064 -10.093 89 HA3 GLY 11 HA3 GLY 11 11.606 -19.617 -8.937 90 H GLU 12 H GLU 12 10.503 -17.595 -9.012 91 HA GLU 12 HA GLU 12 11.835 -15.499 -7.364 92 HB2 GLU 12 HB2 GLU 12 11.293 -14.660 -9.673 93 HB3 GLU 12 HB3 GLU 12 9.591 -15.028 -9.399 94 HG2 GLU 12 HG2 GLU 12 9.500 -13.394 -7.566 95 HG3 GLU 12 HG3 GLU 12 11.225 -13.068 -7.743 96 H ILE 13 H ILE 13 10.528 -14.577 -5.722 97 HA ILE 13 HA ILE 13 8.355 -16.338 -4.772 98 HB ILE 13 HB ILE 13 10.738 -15.350 -3.117 99 HG12 ILE 13 HG12 ILE 13 11.470 -17.155 -4.620 100 HG13 ILE 13 HG13 ILE 13 11.432 -17.735 -2.963 101 HG21 ILE 13 HG21 ILE 13 8.676 -15.502 -1.787 102 HG22 ILE 13 HG22 ILE 13 9.832 -16.740 -1.303 103 HG23 ILE 13 HG23 ILE 13 8.447 -17.176 -2.306 104 HD11 ILE 13 HD11 ILE 13 10.641 -19.422 -4.487 105 HD12 ILE 13 HD12 ILE 13 9.403 -18.334 -5.112 106 HD13 ILE 13 HD13 ILE 13 9.320 -18.897 -3.442 107 H LEU 14 H LEU 14 6.622 -15.123 -4.432 108 HA LEU 14 HA LEU 14 6.842 -12.197 -4.124 109 HB2 LEU 14 HB2 LEU 14 4.397 -13.887 -4.786 110 HB3 LEU 14 HB3 LEU 14 4.525 -12.135 -4.902 111 HG LEU 14 HG LEU 14 6.011 -14.145 -6.652 112 HD11 LEU 14 HD11 LEU 14 4.601 -13.332 -8.476 113 HD12 LEU 14 HD12 LEU 14 3.720 -12.293 -7.354 114 HD13 LEU 14 HD13 LEU 14 3.636 -14.048 -7.187 115 HD21 LEU 14 HD21 LEU 14 7.378 -12.141 -6.308 116 HD22 LEU 14 HD22 LEU 14 6.030 -11.113 -6.800 117 HD23 LEU 14 HD23 LEU 14 6.782 -12.207 -7.968 118 H ASN 15 H ASN 15 5.551 -11.069 -2.623 119 HA ASN 15 HA ASN 15 5.182 -10.539 -0.453 120 HB2 ASN 15 HB2 ASN 15 2.916 -11.283 0.328 121 HB3 ASN 15 HB3 ASN 15 2.946 -10.669 -1.316 122 HD21 ASN 15 HD21 ASN 15 2.694 -12.161 -3.051 123 HD22 ASN 15 HD22 ASN 15 1.935 -13.694 -2.809 124 H VAL 16 H VAL 16 7.179 -11.520 0.253 125 HA VAL 16 HA VAL 16 6.785 -13.652 2.247 126 HB VAL 16 HB VAL 16 7.747 -14.648 0.159 127 HG11 VAL 16 HG11 VAL 16 10.058 -14.120 -0.551 128 HG12 VAL 16 HG12 VAL 16 10.138 -12.827 0.646 129 HG13 VAL 16 HG13 VAL 16 9.007 -12.709 -0.705 130 HG21 VAL 16 HG21 VAL 16 8.276 -15.690 2.328 131 HG22 VAL 16 HG22 VAL 16 9.692 -14.651 2.501 132 HG23 VAL 16 HG23 VAL 16 9.634 -15.855 1.210 133 H SER 17 H SER 17 7.966 -13.389 4.122 134 HA SER 17 HA SER 17 9.286 -10.863 4.629 135 HB2 SER 17 HB2 SER 17 7.855 -11.904 6.357 136 HB3 SER 17 HB3 SER 17 8.921 -13.307 6.411 137 HG SER 17 HG SER 17 9.601 -12.046 8.042 138 H GLU 18 H GLU 18 11.423 -10.747 5.530 139 HA GLU 18 HA GLU 18 13.369 -11.781 3.778 140 HB2 GLU 18 HB2 GLU 18 13.691 -10.324 6.427 141 HB3 GLU 18 HB3 GLU 18 14.995 -10.603 5.268 142 HG2 GLU 18 HG2 GLU 18 13.806 -9.299 3.575 143 HG3 GLU 18 HG3 GLU 18 12.460 -9.047 4.682 144 H GLN 19 H GLN 19 12.371 -12.875 6.981 145 HA GLN 19 HA GLN 19 14.583 -14.604 7.476 146 HB2 GLN 19 HB2 GLN 19 13.195 -13.884 9.332 147 HB3 GLN 19 HB3 GLN 19 11.767 -14.604 8.602 148 HG2 GLN 19 HG2 GLN 19 12.801 -16.868 8.896 149 HG3 GLN 19 HG3 GLN 19 14.165 -16.103 9.704 150 HE21 GLN 19 HE21 GLN 19 10.774 -16.921 9.967 151 HE22 GLN 19 HE22 GLN 19 10.659 -16.687 11.672 152 H GLU 20 H GLU 20 11.224 -15.297 6.433 153 HA GLU 20 HA GLU 20 11.524 -18.049 5.955 154 HB2 GLU 20 HB2 GLU 20 9.312 -17.114 6.185 155 HB3 GLU 20 HB3 GLU 20 9.554 -16.029 4.820 156 HG2 GLU 20 HG2 GLU 20 9.532 -17.886 3.261 157 HG3 GLU 20 HG3 GLU 20 9.472 -19.042 4.577 158 H ALA 21 H ALA 21 11.601 -15.369 3.594 159 HA ALA 21 HA ALA 21 12.223 -16.594 1.274 160 HB1 ALA 21 HB1 ALA 21 13.509 -14.050 2.298 161 HB2 ALA 21 HB2 ALA 21 11.934 -14.176 1.510 162 HB3 ALA 21 HB3 ALA 21 13.404 -14.544 0.603 163 H ARG 22 H ARG 22 14.668 -15.774 3.778 164 HA ARG 22 HA ARG 22 16.833 -16.990 2.279 165 HB2 ARG 22 HB2 ARG 22 16.722 -15.800 5.078 166 HB3 ARG 22 HB3 ARG 22 18.199 -16.416 4.328 167 HG2 ARG 22 HG2 ARG 22 17.926 -14.784 2.483 168 HG3 ARG 22 HG3 ARG 22 16.487 -14.143 3.276 169 HD2 ARG 22 HD2 ARG 22 19.266 -14.140 4.496 170 HD3 ARG 22 HD3 ARG 22 18.550 -12.782 3.625 171 HE ARG 22 HE ARG 22 16.895 -13.674 5.787 172 HH11 ARG 22 HH11 ARG 22 19.751 -11.740 5.102 173 HH12 ARG 22 HH12 ARG 22 19.538 -10.721 6.483 174 HH21 ARG 22 HH21 ARG 22 16.651 -12.352 7.604 175 HH22 ARG 22 HH22 ARG 22 17.791 -11.082 7.919 176 H ASP 23 H ASP 23 14.668 -18.028 4.835 177 HA ASP 23 HA ASP 23 16.372 -20.159 5.838 178 HB2 ASP 23 HB2 ASP 23 14.882 -19.012 7.416 179 HB3 ASP 23 HB3 ASP 23 13.466 -19.441 6.465 180 H VAL 24 H VAL 24 13.175 -20.062 4.258 181 HA VAL 24 HA VAL 24 13.230 -22.877 3.570 182 HB VAL 24 HB VAL 24 11.200 -20.718 2.801 183 HG11 VAL 24 HG11 VAL 24 10.903 -23.749 2.780 184 HG12 VAL 24 HG12 VAL 24 11.021 -22.712 1.355 185 HG13 VAL 24 HG13 VAL 24 9.624 -22.582 2.423 186 HG21 VAL 24 HG21 VAL 24 11.136 -22.622 5.175 187 HG22 VAL 24 HG22 VAL 24 9.827 -21.539 4.691 188 HG23 VAL 24 HG23 VAL 24 11.365 -20.873 5.246 189 H PHE 25 H PHE 25 12.984 -19.805 1.714 190 HA PHE 25 HA PHE 25 13.140 -21.242 -0.808 191 HB2 PHE 25 HB2 PHE 25 12.889 -18.256 -0.261 192 HB3 PHE 25 HB3 PHE 25 12.667 -19.036 -1.827 193 HD1 PHE 25 HD2 PHE 25 10.874 -21.017 -1.841 194 HD2 PHE 25 HD1 PHE 25 10.939 -17.835 1.021 195 HE1 PHE 25 HE2 PHE 25 8.493 -21.389 -1.354 196 HE2 PHE 25 HE1 PHE 25 8.559 -18.222 1.494 197 HZ PHE 25 HZ PHE 25 7.333 -19.993 0.304 198 H GLY 26 H GLY 26 15.474 -19.914 1.244 199 HA2 GLY 26 HA2 GLY 26 17.745 -19.751 1.073 200 HA3 GLY 26 HA3 GLY 26 17.621 -20.700 -0.398 201 H ALA 27 H ALA 27 16.377 -17.457 0.334 202 HA ALA 27 HA ALA 27 17.399 -16.335 -2.106 203 HB1 ALA 27 HB1 ALA 27 16.371 -14.235 -1.310 204 HB2 ALA 27 HB2 ALA 27 16.062 -14.975 0.265 205 HB3 ALA 27 HB3 ALA 27 15.249 -15.591 -1.174 206 H SER 28 H SER 28 19.125 -15.026 -2.380 207 HA SER 28 HA SER 28 21.276 -14.946 -0.538 208 HB2 SER 28 HB2 SER 28 21.669 -14.863 -2.970 209 HB3 SER 28 HB3 SER 28 20.783 -13.342 -3.088 210 HG SER 28 HG SER 28 23.230 -13.805 -1.712 211 H GLU 29 H GLU 29 22.023 -13.228 0.713 212 HA GLU 29 HA GLU 29 20.033 -11.479 1.852 213 HB2 GLU 29 HB2 GLU 29 23.052 -11.498 2.298 214 HB3 GLU 29 HB3 GLU 29 21.882 -10.612 3.278 215 HG2 GLU 29 HG2 GLU 29 20.800 -12.843 3.801 216 HG3 GLU 29 HG3 GLU 29 22.184 -13.612 3.028 217 H GLN 30 H GLN 30 22.434 -11.184 -0.621 218 HA GLN 30 HA GLN 30 22.514 -8.385 -1.016 219 HB2 GLN 30 HB2 GLN 30 22.790 -10.683 -2.997 220 HB3 GLN 30 HB3 GLN 30 23.242 -9.012 -3.333 221 HG2 GLN 30 HG2 GLN 30 25.020 -9.081 -1.704 222 HG3 GLN 30 HG3 GLN 30 24.487 -10.649 -1.102 223 HE21 GLN 30 HE21 GLN 30 24.922 -12.500 -2.321 224 HE22 GLN 30 HE22 GLN 30 26.078 -12.508 -3.605 225 H ALA 31 H ALA 31 20.331 -10.928 -2.234 226 HA ALA 31 HA ALA 31 18.805 -9.271 -4.007 227 HB1 ALA 31 HB1 ALA 31 18.951 -11.717 -4.328 228 HB2 ALA 31 HB2 ALA 31 17.270 -11.216 -4.131 229 HB3 ALA 31 HB3 ALA 31 18.129 -11.982 -2.790 230 H ILE 32 H ILE 32 17.772 -10.904 -0.978 231 HA ILE 32 HA ILE 32 15.855 -9.490 0.069 232 HB ILE 32 HB ILE 32 18.376 -10.251 1.605 233 HG12 ILE 32 HG12 ILE 32 17.426 -12.142 0.315 234 HG13 ILE 32 HG13 ILE 32 17.279 -12.402 2.042 235 HG21 ILE 32 HG21 ILE 32 16.917 -10.486 3.599 236 HG22 ILE 32 HG22 ILE 32 15.568 -9.811 2.683 237 HG23 ILE 32 HG23 ILE 32 16.990 -8.822 3.015 238 HD11 ILE 32 HD11 ILE 32 15.088 -11.550 0.174 239 HD12 ILE 32 HD12 ILE 32 14.913 -11.791 1.915 240 HD13 ILE 32 HD13 ILE 32 15.324 -13.150 0.873 241 H ALA 33 H ALA 33 19.059 -8.045 -0.335 242 HA ALA 33 HA ALA 33 18.584 -5.867 1.545 243 HB1 ALA 33 HB1 ALA 33 20.815 -6.213 -0.489 244 HB2 ALA 33 HB2 ALA 33 20.876 -6.702 1.206 245 HB3 ALA 33 HB3 ALA 33 20.750 -4.992 0.783 246 H ASP 34 H ASP 34 19.080 -6.086 -2.002 247 HA ASP 34 HA ASP 34 18.160 -3.590 -2.802 248 HB2 ASP 34 HB2 ASP 34 18.118 -6.277 -4.219 249 HB3 ASP 34 HB3 ASP 34 17.506 -4.831 -5.017 250 H ALA 35 H ALA 35 16.235 -6.509 -2.174 251 HA ALA 35 HA ALA 35 13.802 -5.424 -3.293 252 HB1 ALA 35 HB1 ALA 35 12.768 -7.536 -2.530 253 HB2 ALA 35 HB2 ALA 35 14.259 -7.954 -1.670 254 HB3 ALA 35 HB3 ALA 35 14.261 -7.824 -3.429 255 H ARG 36 H ARG 36 15.125 -5.828 0.019 256 HA ARG 36 HA ARG 36 12.915 -4.850 1.487 257 HB2 ARG 36 HB2 ARG 36 14.823 -5.728 2.738 258 HB3 ARG 36 HB3 ARG 36 15.899 -4.530 2.024 259 HG2 ARG 36 HG2 ARG 36 14.471 -2.738 3.192 260 HG3 ARG 36 HG3 ARG 36 13.712 -4.058 4.079 261 HD2 ARG 36 HD2 ARG 36 16.708 -3.579 4.090 262 HD3 ARG 36 HD3 ARG 36 15.608 -2.824 5.244 263 HE ARG 36 HE ARG 36 15.600 -5.743 5.011 264 HH11 ARG 36 HH11 ARG 36 16.498 -2.925 6.925 265 HH12 ARG 36 HH12 ARG 36 16.719 -3.843 8.379 266 HH21 ARG 36 HH21 ARG 36 15.849 -6.915 6.912 267 HH22 ARG 36 HH22 ARG 36 16.342 -6.116 8.371 268 H LYS 37 H LYS 37 15.750 -3.140 0.235 269 HA LYS 37 HA LYS 37 15.085 -0.499 0.671 270 HB2 LYS 37 HB2 LYS 37 17.294 -1.168 -0.129 271 HB3 LYS 37 HB3 LYS 37 16.611 -1.752 -1.641 272 HG2 LYS 37 HG2 LYS 37 15.868 0.721 -2.029 273 HG3 LYS 37 HG3 LYS 37 16.989 1.111 -0.733 274 HD2 LYS 37 HD2 LYS 37 18.088 1.414 -2.874 275 HD3 LYS 37 HD3 LYS 37 18.828 0.040 -2.044 276 HE2 LYS 37 HE2 LYS 37 17.495 -1.511 -3.428 277 HE3 LYS 37 HE3 LYS 37 16.721 -0.148 -4.238 278 HZ1 LYS 37 HZ1 LYS 37 18.827 0.496 -5.137 279 HZ2 LYS 37 HZ2 LYS 37 18.529 -1.118 -5.523 280 HZ3 LYS 37 HZ3 LYS 37 19.620 -0.730 -4.298 281 H ALA 38 H ALA 38 13.932 -2.666 -1.905 282 HA ALA 38 HA ALA 38 13.082 -0.500 -3.628 283 HB1 ALA 38 HB1 ALA 38 12.353 -2.297 -5.161 284 HB2 ALA 38 HB2 ALA 38 12.697 -3.508 -3.920 285 HB3 ALA 38 HB3 ALA 38 14.011 -2.561 -4.617 286 H THR 39 H THR 39 11.635 -2.906 -1.429 287 HA THR 39 HA THR 39 8.897 -2.360 -1.958 288 HB THR 39 HB THR 39 10.137 -3.376 0.648 289 HG1 THR 39 HG1 THR 39 10.315 -4.625 -1.473 290 HG21 THR 39 HG21 THR 39 7.886 -4.298 1.126 291 HG22 THR 39 HG22 THR 39 7.254 -3.531 -0.331 292 HG23 THR 39 HG23 THR 39 7.834 -2.540 1.012 293 H ILE 40 H ILE 40 11.159 -1.116 0.523 294 HA ILE 40 HA ILE 40 9.504 0.779 1.774 295 HB ILE 40 HB ILE 40 12.535 0.622 1.432 296 HG12 ILE 40 HG12 ILE 40 11.461 -1.037 2.942 297 HG13 ILE 40 HG13 ILE 40 12.510 0.055 3.835 298 HG21 ILE 40 HG21 ILE 40 11.056 2.761 3.023 299 HG22 ILE 40 HG22 ILE 40 12.092 3.029 1.618 300 HG23 ILE 40 HG23 ILE 40 12.785 2.438 3.127 301 HD11 ILE 40 HD11 ILE 40 9.499 0.182 3.710 302 HD12 ILE 40 HD12 ILE 40 10.533 1.333 4.563 303 HD13 ILE 40 HD13 ILE 40 10.481 -0.356 5.071 304 H LEU 41 H LEU 41 11.881 1.286 -0.809 305 HA LEU 41 HA LEU 41 11.507 3.968 -1.375 306 HB2 LEU 41 HB2 LEU 41 13.415 2.975 -2.278 307 HB3 LEU 41 HB3 LEU 41 12.558 1.586 -2.890 308 HG LEU 41 HG LEU 41 12.073 4.228 -4.276 309 HD11 LEU 41 HD11 LEU 41 14.582 2.568 -4.730 310 HD12 LEU 41 HD12 LEU 41 14.523 4.184 -4.022 311 HD13 LEU 41 HD13 LEU 41 14.051 3.948 -5.701 312 HD21 LEU 41 HD21 LEU 41 10.830 2.231 -5.021 313 HD22 LEU 41 HD22 LEU 41 12.343 1.366 -5.295 314 HD23 LEU 41 HD23 LEU 41 11.932 2.774 -6.285 315 H GLN 42 H GLN 42 9.621 1.191 -2.505 316 HA GLN 42 HA GLN 42 8.130 2.737 -4.456 317 HB2 GLN 42 HB2 GLN 42 8.721 0.317 -4.799 318 HB3 GLN 42 HB3 GLN 42 7.673 -0.106 -3.449 319 HG2 GLN 42 HG2 GLN 42 6.571 -0.517 -5.594 320 HG3 GLN 42 HG3 GLN 42 5.730 0.728 -4.674 321 HE21 GLN 42 HE21 GLN 42 4.744 1.622 -6.472 322 HE22 GLN 42 HE22 GLN 42 5.614 2.506 -7.675 323 H THR 43 H THR 43 7.729 1.508 -1.173 324 HA THR 43 HA THR 43 4.969 2.086 -0.808 325 HB THR 43 HB THR 43 7.230 1.703 1.214 326 HG1 THR 43 HG1 THR 43 6.337 -0.052 -0.283 327 HG21 THR 43 HG21 THR 43 4.232 1.768 1.759 328 HG22 THR 43 HG22 THR 43 5.414 2.949 2.331 329 HG23 THR 43 HG23 THR 43 5.467 1.284 2.913 330 H LEU 44 H LEU 44 7.912 4.014 -0.533 331 HA LEU 44 HA LEU 44 6.881 6.263 0.849 332 HB2 LEU 44 HB2 LEU 44 9.134 6.272 -1.201 333 HB3 LEU 44 HB3 LEU 44 8.814 7.519 -0.006 334 HG LEU 44 HG LEU 44 9.945 4.739 0.447 335 HD11 LEU 44 HD11 LEU 44 11.815 5.916 1.479 336 HD12 LEU 44 HD12 LEU 44 11.045 7.468 1.138 337 HD13 LEU 44 HD13 LEU 44 11.563 6.424 -0.191 338 HD21 LEU 44 HD21 LEU 44 8.248 5.101 2.206 339 HD22 LEU 44 HD22 LEU 44 9.056 6.599 2.670 340 HD23 LEU 44 HD23 LEU 44 9.888 5.053 2.857 341 H ARG 45 H ARG 45 6.497 5.213 -2.457 342 HA ARG 45 HA ARG 45 5.081 7.732 -3.130 343 HB2 ARG 45 HB2 ARG 45 5.533 7.221 -5.499 344 HB3 ARG 45 HB3 ARG 45 7.016 7.356 -4.562 345 HG2 ARG 45 HG2 ARG 45 7.186 4.874 -4.483 346 HG3 ARG 45 HG3 ARG 45 5.722 4.750 -5.462 347 HD2 ARG 45 HD2 ARG 45 8.373 5.978 -6.299 348 HD3 ARG 45 HD3 ARG 45 7.677 4.462 -6.878 349 HE ARG 45 HE ARG 45 5.754 6.112 -7.593 350 HH11 ARG 45 HH11 ARG 45 9.216 6.559 -8.017 351 HH12 ARG 45 HH12 ARG 45 9.029 7.586 -9.400 352 HH21 ARG 45 HH21 ARG 45 5.523 7.456 -9.374 353 HH22 ARG 45 HH22 ARG 45 6.926 8.091 -10.168 354 H ILE 46 H ILE 46 4.441 4.572 -2.225 355 HA ILE 46 HA ILE 46 1.961 4.283 -3.787 356 HB ILE 46 HB ILE 46 3.279 2.455 -1.732 357 HG12 ILE 46 HG12 ILE 46 2.588 2.061 -4.681 358 HG13 ILE 46 HG13 ILE 46 4.196 2.318 -4.019 359 HG21 ILE 46 HG21 ILE 46 1.418 0.833 -2.029 360 HG22 ILE 46 HG22 ILE 46 0.536 2.024 -2.985 361 HG23 ILE 46 HG23 ILE 46 0.862 2.332 -1.280 362 HD11 ILE 46 HD11 ILE 46 2.445 -0.094 -3.556 363 HD12 ILE 46 HD12 ILE 46 4.032 0.168 -2.831 364 HD13 ILE 46 HD13 ILE 46 3.877 -0.001 -4.578 365 H GLU 47 H GLU 47 2.930 4.586 -0.352 366 HA GLU 47 HA GLU 47 0.583 4.492 1.027 367 HB2 GLU 47 HB2 GLU 47 3.015 6.234 1.455 368 HB3 GLU 47 HB3 GLU 47 1.681 6.290 2.594 369 HG2 GLU 47 HG2 GLU 47 3.226 3.786 1.920 370 HG3 GLU 47 HG3 GLU 47 3.629 4.861 3.255 371 H ARG 48 H ARG 48 1.903 7.385 -0.569 372 HA ARG 48 HA ARG 48 0.026 9.265 0.238 373 HB2 ARG 48 HB2 ARG 48 0.673 10.594 -1.789 374 HB3 ARG 48 HB3 ARG 48 2.035 10.028 -0.838 375 HG2 ARG 48 HG2 ARG 48 2.538 8.300 -2.478 376 HG3 ARG 48 HG3 ARG 48 1.088 8.715 -3.400 377 HD2 ARG 48 HD2 ARG 48 3.077 9.669 -4.453 378 HD3 ARG 48 HD3 ARG 48 2.024 10.953 -3.859 379 HE ARG 48 HE ARG 48 3.559 11.180 -1.948 380 HH11 ARG 48 HH11 ARG 48 4.802 9.606 -4.829 381 HH12 ARG 48 HH12 ARG 48 6.456 9.994 -4.475 382 HH21 ARG 48 HH21 ARG 48 5.739 11.714 -1.510 383 HH22 ARG 48 HH22 ARG 48 6.984 11.197 -2.603 384 H ASP 49 H ASP 49 -0.045 7.238 -2.726 385 HA ASP 49 HA ASP 49 -2.449 8.422 -3.718 386 HB2 ASP 49 HB2 ASP 49 -0.652 7.416 -5.167 387 HB3 ASP 49 HB3 ASP 49 -1.128 5.817 -4.597 388 H GLU 50 H GLU 50 -1.724 5.597 -1.747 389 HA GLU 50 HA GLU 50 -4.206 4.271 -1.827 390 HB2 GLU 50 HB2 GLU 50 -2.256 4.476 0.504 391 HB3 GLU 50 HB3 GLU 50 -3.564 3.301 0.378 392 HG2 GLU 50 HG2 GLU 50 -1.158 3.501 -1.443 393 HG3 GLU 50 HG3 GLU 50 -1.389 2.313 -0.170 394 H ARG 51 H ARG 51 -3.051 6.942 0.171 395 HA ARG 51 HA ARG 51 -5.332 7.116 1.901 396 HB2 ARG 51 HB2 ARG 51 -3.159 9.168 1.284 397 HB3 ARG 51 HB3 ARG 51 -4.300 9.264 2.631 398 HG2 ARG 51 HG2 ARG 51 -3.381 7.237 3.617 399 HG3 ARG 51 HG3 ARG 51 -2.312 7.008 2.236 400 HD2 ARG 51 HD2 ARG 51 -1.181 9.170 2.834 401 HD3 ARG 51 HD3 ARG 51 -2.185 9.236 4.293 402 HE ARG 51 HE ARG 51 -0.547 6.841 3.801 403 HH11 ARG 51 HH11 ARG 51 -1.020 9.753 5.704 404 HH12 ARG 51 HH12 ARG 51 0.014 9.221 6.985 405 HH21 ARG 51 HH21 ARG 51 0.791 6.151 5.445 406 HH22 ARG 51 HH22 ARG 51 1.058 7.161 6.831 407 H LEU 52 H LEU 52 -4.356 8.758 -1.083 408 HA LEU 52 HA LEU 52 -6.499 10.654 -1.100 409 HB2 LEU 52 HB2 LEU 52 -4.425 9.805 -3.131 410 HB3 LEU 52 HB3 LEU 52 -5.773 10.807 -3.642 411 HG LEU 52 HG LEU 52 -5.091 12.536 -1.938 412 HD11 LEU 52 HD11 LEU 52 -3.867 11.145 -0.362 413 HD12 LEU 52 HD12 LEU 52 -2.909 12.516 -0.916 414 HD13 LEU 52 HD13 LEU 52 -2.592 10.903 -1.559 415 HD21 LEU 52 HD21 LEU 52 -4.459 12.758 -4.282 416 HD22 LEU 52 HD22 LEU 52 -2.980 11.842 -3.989 417 HD23 LEU 52 HD23 LEU 52 -3.213 13.417 -3.229 418 H ARG 53 H ARG 53 -6.072 7.420 -2.564 419 HA ARG 53 HA ARG 53 -8.604 7.510 -3.970 420 HB2 ARG 53 HB2 ARG 53 -8.193 5.225 -4.653 421 HB3 ARG 53 HB3 ARG 53 -6.706 6.141 -4.841 422 HG2 ARG 53 HG2 ARG 53 -5.747 5.105 -2.873 423 HG3 ARG 53 HG3 ARG 53 -7.275 4.318 -2.485 424 HD2 ARG 53 HD2 ARG 53 -5.677 2.736 -3.483 425 HD3 ARG 53 HD3 ARG 53 -7.103 2.933 -4.500 426 HE ARG 53 HE ARG 53 -4.909 4.645 -5.265 427 HH11 ARG 53 HH11 ARG 53 -6.209 1.390 -5.637 428 HH12 ARG 53 HH12 ARG 53 -5.438 1.127 -7.165 429 HH21 ARG 53 HH21 ARG 53 -3.905 4.273 -7.269 430 HH22 ARG 53 HH22 ARG 53 -4.120 2.757 -8.085 431 H ALA 54 H ALA 54 -7.592 6.652 -0.759 432 HA ALA 54 HA ALA 54 -9.963 5.157 -0.041 433 HB1 ALA 54 HB1 ALA 54 -7.901 6.511 1.739 434 HB2 ALA 54 HB2 ALA 54 -7.843 4.840 1.171 435 HB3 ALA 54 HB3 ALA 54 -9.128 5.354 2.267 436 H CYS 55 H CYS 55 -8.787 8.481 0.504 437 HA CYS 55 HA CYS 55 -11.249 9.402 1.715 438 HB2 CYS 55 HB2 CYS 55 -8.780 10.937 0.815 439 HB3 CYS 55 HB3 CYS 55 -10.096 11.595 1.791 440 HG CYS 55 HG CYS 55 -9.576 10.230 4.044 441 H ASP 56 H ASP 56 -10.744 8.570 -1.334 442 HA ASP 56 HA ASP 56 -11.618 10.615 -3.012 443 HB2 ASP 56 HB2 ASP 56 -10.653 8.500 -3.800 444 HB3 ASP 56 HB3 ASP 56 -12.032 7.605 -3.179 445 H TRP 57 H TRP 57 -13.407 8.659 -0.735 446 HA TRP 57 HA TRP 57 -16.026 8.773 -1.688 447 HB2 TRP 57 HB2 TRP 57 -16.752 8.256 0.577 448 HB3 TRP 57 HB3 TRP 57 -15.246 7.395 0.276 449 HD1 TRP 57 HD1 TRP 57 -13.058 8.249 1.676 450 HE1 TRP 57 HE1 TRP 57 -12.820 9.628 3.828 451 HE3 TRP 57 HE3 TRP 57 -17.815 10.120 1.986 452 HZ2 TRP 57 HZ2 TRP 57 -14.414 11.291 5.444 453 HZ3 TRP 57 HZ3 TRP 57 -18.379 11.601 3.875 454 HH2 TRP 57 HH2 TRP 57 -16.709 12.174 5.575 455 H THR 58 H THR 58 -14.141 11.261 -0.118 456 HA THR 58 HA THR 58 -16.454 13.109 0.017 457 HB THR 58 HB THR 58 -15.489 12.758 2.197 458 HG1 THR 58 HG1 THR 58 -14.517 15.277 1.287 459 HG21 THR 58 HG21 THR 58 -13.156 13.221 2.752 460 HG22 THR 58 HG22 THR 58 -12.805 13.597 1.065 461 HG23 THR 58 HG23 THR 58 -13.255 11.954 1.528 462 H GLN 59 H GLN 59 -13.746 12.410 -1.861 463 HA GLN 59 HA GLN 59 -13.208 15.140 -2.726 464 HB2 GLN 59 HB2 GLN 59 -12.284 12.515 -3.972 465 HB3 GLN 59 HB3 GLN 59 -11.730 14.126 -4.425 466 HG2 GLN 59 HG2 GLN 59 -11.167 12.594 -1.885 467 HG3 GLN 59 HG3 GLN 59 -10.014 13.209 -3.062 468 HE21 GLN 59 HE21 GLN 59 -11.926 13.954 -0.263 469 HE22 GLN 59 HE22 GLN 59 -11.275 15.525 0.027 470 H VAL 60 H VAL 60 -15.382 12.545 -3.564 471 HA VAL 60 HA VAL 60 -16.348 13.651 -6.023 472 HB VAL 60 HB VAL 60 -18.320 12.266 -5.764 473 HG11 VAL 60 HG11 VAL 60 -17.361 10.024 -5.397 474 HG12 VAL 60 HG12 VAL 60 -15.941 10.750 -4.640 475 HG13 VAL 60 HG13 VAL 60 -16.271 11.039 -6.349 476 HG21 VAL 60 HG21 VAL 60 -18.867 11.027 -3.674 477 HG22 VAL 60 HG22 VAL 60 -18.950 12.773 -3.450 478 HG23 VAL 60 HG23 VAL 60 -17.558 11.872 -2.842 479 H GLN 61 H GLN 61 -18.248 14.949 -6.339 480 HA GLN 61 HA GLN 61 -18.624 17.005 -4.301 481 HB2 GLN 61 HB2 GLN 61 -19.784 18.260 -6.058 482 HB3 GLN 61 HB3 GLN 61 -18.239 17.659 -6.645 483 HG2 GLN 61 HG2 GLN 61 -19.456 15.801 -7.806 484 HG3 GLN 61 HG3 GLN 61 -20.981 16.530 -7.294 485 HE21 GLN 61 HE21 GLN 61 -21.691 16.969 -9.381 486 HE22 GLN 61 HE22 GLN 61 -20.953 18.141 -10.410 487 H ASP 62 H ASP 62 -20.128 14.100 -5.088 488 HA ASP 62 HA ASP 62 -22.887 14.750 -4.619 489 HB2 ASP 62 HB2 ASP 62 -22.151 12.794 -5.990 490 HB3 ASP 62 HB3 ASP 62 -21.512 12.026 -4.542 491 H VAL 63 H VAL 63 -20.188 13.990 -2.554 492 HA VAL 63 HA VAL 63 -21.518 13.033 -0.263 493 HB VAL 63 HB VAL 63 -19.013 12.938 -0.636 494 HG11 VAL 63 HG11 VAL 63 -19.014 15.851 0.231 495 HG12 VAL 63 HG12 VAL 63 -18.623 15.250 -1.380 496 HG13 VAL 63 HG13 VAL 63 -17.584 14.843 -0.012 497 HG21 VAL 63 HG21 VAL 63 -19.894 14.105 2.030 498 HG22 VAL 63 HG22 VAL 63 -18.394 13.214 1.750 499 HG23 VAL 63 HG23 VAL 63 -19.951 12.403 1.566 500 H VAL 64 H VAL 64 -22.410 14.104 1.524 501 HA VAL 64 HA VAL 64 -23.270 16.885 1.030 502 HB VAL 64 HB VAL 64 -24.450 14.860 3.006 503 HG11 VAL 64 HG11 VAL 64 -25.522 17.549 2.025 504 HG12 VAL 64 HG12 VAL 64 -24.926 17.201 3.649 505 HG13 VAL 64 HG13 VAL 64 -26.399 16.428 3.069 506 HG21 VAL 64 HG21 VAL 64 -26.289 14.559 1.357 507 HG22 VAL 64 HG22 VAL 64 -24.734 14.060 0.682 508 HG23 VAL 64 HG23 VAL 64 -25.440 15.611 0.221 509 H LEU 65 H LEU 65 -21.333 17.861 1.702 510 HA LEU 65 HA LEU 65 -20.984 18.073 4.631 511 HB2 LEU 65 HB2 LEU 65 -18.799 17.916 2.504 512 HB3 LEU 65 HB3 LEU 65 -18.508 18.451 4.150 513 HG LEU 65 HG LEU 65 -19.445 15.653 3.379 514 HD11 LEU 65 HD11 LEU 65 -17.173 14.917 3.981 515 HD12 LEU 65 HD12 LEU 65 -16.684 16.597 4.226 516 HD13 LEU 65 HD13 LEU 65 -17.153 16.036 2.619 517 HD21 LEU 65 HD21 LEU 65 -18.932 15.079 5.736 518 HD22 LEU 65 HD22 LEU 65 -20.221 16.275 5.606 519 HD23 LEU 65 HD23 LEU 65 -18.594 16.784 6.065 520 H THR 66 H THR 66 -19.876 20.169 5.184 521 HA THR 66 HA THR 66 -20.966 22.416 3.746 522 HB THR 66 HB THR 66 -19.724 23.810 5.386 523 HG1 THR 66 HG1 THR 66 -18.641 22.377 7.099 524 HG21 THR 66 HG21 THR 66 -21.065 21.426 6.734 525 HG22 THR 66 HG22 THR 66 -21.901 22.856 6.114 526 HG23 THR 66 HG23 THR 66 -20.775 23.006 7.465 527 H ALA 67 H ALA 67 -19.576 24.190 2.878 528 HA ALA 67 HA ALA 67 -17.757 23.399 0.918 529 HB1 ALA 67 HB1 ALA 67 -17.160 25.793 0.703 530 HB2 ALA 67 HB2 ALA 67 -17.956 26.127 2.247 531 HB3 ALA 67 HB3 ALA 67 -18.905 25.568 0.871 532 H ASP 68 H ASP 68 -17.114 24.757 4.128 533 HA ASP 68 HA ASP 68 -14.346 24.721 4.214 534 HB2 ASP 68 HB2 ASP 68 -15.753 25.763 5.963 535 HB3 ASP 68 HB3 ASP 68 -16.221 24.172 6.543 536 H GLN 69 H GLN 69 -16.523 22.042 5.209 537 HA GLN 69 HA GLN 69 -14.486 20.218 5.986 538 HB2 GLN 69 HB2 GLN 69 -17.323 19.711 5.035 539 HB3 GLN 69 HB3 GLN 69 -16.263 18.409 5.573 540 HG2 GLN 69 HG2 GLN 69 -17.032 20.781 7.296 541 HG3 GLN 69 HG3 GLN 69 -17.894 19.247 7.281 542 HE21 GLN 69 HE21 GLN 69 -17.483 18.883 9.465 543 HE22 GLN 69 HE22 GLN 69 -15.925 18.447 10.067 544 H LYS 70 H LYS 70 -16.201 20.573 2.914 545 HA LYS 70 HA LYS 70 -14.876 18.575 1.412 546 HB2 LYS 70 HB2 LYS 70 -16.418 21.089 0.650 547 HB3 LYS 70 HB3 LYS 70 -15.743 20.012 -0.576 548 HG2 LYS 70 HG2 LYS 70 -17.105 18.173 0.164 549 HG3 LYS 70 HG3 LYS 70 -17.651 19.070 1.584 550 HD2 LYS 70 HD2 LYS 70 -19.063 20.476 0.318 551 HD3 LYS 70 HD3 LYS 70 -18.243 20.106 -1.209 552 HE2 LYS 70 HE2 LYS 70 -19.161 17.797 -1.079 553 HE3 LYS 70 HE3 LYS 70 -20.012 18.232 0.404 554 HZ1 LYS 70 HZ1 LYS 70 -21.464 18.341 -1.490 555 HZ2 LYS 70 HZ2 LYS 70 -20.435 19.426 -2.277 556 HZ3 LYS 70 HZ3 LYS 70 -21.238 19.897 -0.868 557 H ALA 71 H ALA 71 -13.767 21.645 2.479 558 HA ALA 71 HA ALA 71 -11.885 22.091 0.258 559 HB1 ALA 71 HB1 ALA 71 -11.327 24.205 1.433 560 HB2 ALA 71 HB2 ALA 71 -12.424 23.769 2.746 561 HB3 ALA 71 HB3 ALA 71 -13.064 24.083 1.134 562 H THR 72 H THR 72 -11.876 21.876 3.779 563 HA THR 72 HA THR 72 -9.238 21.411 4.365 564 HB THR 72 HB THR 72 -11.476 20.045 5.919 565 HG1 THR 72 HG1 THR 72 -12.244 21.988 6.255 566 HG21 THR 72 HG21 THR 72 -10.055 20.505 7.869 567 HG22 THR 72 HG22 THR 72 -8.871 21.317 6.841 568 HG23 THR 72 HG23 THR 72 -9.144 19.582 6.670 569 H TRP 73 H TRP 73 -11.627 19.000 3.305 570 HA TRP 73 HA TRP 73 -9.881 16.717 3.485 571 HB2 TRP 73 HB2 TRP 73 -12.598 17.232 2.267 572 HB3 TRP 73 HB3 TRP 73 -11.724 15.790 1.768 573 HD1 TRP 73 HD1 TRP 73 -14.078 16.914 4.401 574 HE1 TRP 73 HE1 TRP 73 -14.250 15.130 6.234 575 HE3 TRP 73 HE3 TRP 73 -9.992 14.073 3.182 576 HZ2 TRP 73 HZ2 TRP 73 -12.862 12.830 7.068 577 HZ3 TRP 73 HZ3 TRP 73 -9.492 12.085 4.548 578 HH2 TRP 73 HH2 TRP 73 -10.900 11.479 6.455 579 H ALA 74 H ALA 74 -10.788 18.956 0.885 580 HA ALA 74 HA ALA 74 -9.210 17.740 -1.165 581 HB1 ALA 74 HB1 ALA 74 -9.629 19.834 -2.412 582 HB2 ALA 74 HB2 ALA 74 -10.295 20.565 -0.947 583 HB3 ALA 74 HB3 ALA 74 -11.108 19.190 -1.695 584 H LYS 75 H LYS 75 -8.456 19.776 1.518 585 HA LYS 75 HA LYS 75 -5.924 20.820 0.513 586 HB2 LYS 75 HB2 LYS 75 -7.626 21.284 2.925 587 HB3 LYS 75 HB3 LYS 75 -5.907 21.270 3.278 588 HG2 LYS 75 HG2 LYS 75 -6.617 23.532 2.916 589 HG3 LYS 75 HG3 LYS 75 -5.545 23.051 1.598 590 HD2 LYS 75 HD2 LYS 75 -7.484 22.738 0.111 591 HD3 LYS 75 HD3 LYS 75 -8.591 23.127 1.431 592 HE2 LYS 75 HE2 LYS 75 -7.551 25.410 1.552 593 HE3 LYS 75 HE3 LYS 75 -6.575 24.996 0.140 594 HZ1 LYS 75 HZ1 LYS 75 -9.540 25.013 0.203 595 HZ2 LYS 75 HZ2 LYS 75 -8.564 24.754 -1.156 596 HZ3 LYS 75 HZ3 LYS 75 -8.575 26.263 -0.395 597 H TYR 76 H TYR 76 -7.160 18.385 2.776 598 HA TYR 76 HA TYR 76 -4.796 17.210 3.673 599 HB2 TYR 76 HB2 TYR 76 -6.879 16.478 4.638 600 HB3 TYR 76 HB3 TYR 76 -7.549 16.043 3.070 601 HD1 TYR 76 HD2 TYR 76 -4.677 15.098 5.336 602 HD2 TYR 76 HD1 TYR 76 -7.563 13.747 2.488 603 HE1 TYR 76 HE2 TYR 76 -3.940 12.786 5.670 604 HE2 TYR 76 HE1 TYR 76 -6.799 11.437 2.813 605 HH TYR 76 HH TYR 76 -4.826 10.492 5.388 606 H ARG 77 H ARG 77 -6.708 16.548 0.766 607 HA ARG 77 HA ARG 77 -5.130 14.543 -0.421 608 HB2 ARG 77 HB2 ARG 77 -7.498 15.242 -1.089 609 HB3 ARG 77 HB3 ARG 77 -6.792 16.665 -1.867 610 HG2 ARG 77 HG2 ARG 77 -5.523 15.201 -3.397 611 HG3 ARG 77 HG3 ARG 77 -6.224 13.779 -2.623 612 HD2 ARG 77 HD2 ARG 77 -8.476 14.542 -3.318 613 HD3 ARG 77 HD3 ARG 77 -7.739 15.915 -4.148 614 HE ARG 77 HE ARG 77 -6.571 13.546 -5.124 615 HH11 ARG 77 HH11 ARG 77 -9.701 15.178 -5.204 616 HH12 ARG 77 HH12 ARG 77 -10.139 14.503 -6.737 617 HH21 ARG 77 HH21 ARG 77 -7.173 12.683 -7.115 618 HH22 ARG 77 HH22 ARG 77 -8.704 13.088 -7.816 619 H GLN 78 H GLN 78 -5.264 18.055 -0.983 620 HA GLN 78 HA GLN 78 -3.467 18.187 -3.089 621 HB2 GLN 78 HB2 GLN 78 -5.228 19.936 -2.277 622 HB3 GLN 78 HB3 GLN 78 -3.962 20.524 -1.203 623 HG2 GLN 78 HG2 GLN 78 -3.942 21.888 -3.170 624 HG3 GLN 78 HG3 GLN 78 -2.507 20.864 -3.238 625 HE21 GLN 78 HE21 GLN 78 -2.656 18.928 -4.620 626 HE22 GLN 78 HE22 GLN 78 -3.606 19.002 -6.056 627 H ALA 79 H ALA 79 -2.956 18.804 0.360 628 HA ALA 79 HA ALA 79 -0.264 19.700 0.176 629 HB1 ALA 79 HB1 ALA 79 -0.218 19.426 2.624 630 HB2 ALA 79 HB2 ALA 79 -1.726 18.503 2.558 631 HB3 ALA 79 HB3 ALA 79 -1.711 20.205 2.099 632 H LEU 80 H LEU 80 -1.730 16.497 0.664 633 HA LEU 80 HA LEU 80 0.541 15.118 1.613 634 HB2 LEU 80 HB2 LEU 80 -2.054 14.678 1.712 635 HB3 LEU 80 HB3 LEU 80 -1.829 13.886 0.171 636 HG LEU 80 HG LEU 80 -0.440 13.038 2.752 637 HD11 LEU 80 HD11 LEU 80 -2.942 11.891 1.463 638 HD12 LEU 80 HD12 LEU 80 -2.854 12.773 2.993 639 HD13 LEU 80 HD13 LEU 80 -2.075 11.203 2.842 640 HD21 LEU 80 HD21 LEU 80 0.768 12.307 0.762 641 HD22 LEU 80 HD22 LEU 80 -0.707 11.604 0.093 642 HD23 LEU 80 HD23 LEU 80 0.010 10.931 1.563 643 H ARG 81 H ARG 81 -1.005 15.435 -1.580 644 HA ARG 81 HA ARG 81 0.908 13.772 -2.960 645 HB2 ARG 81 HB2 ARG 81 -0.320 14.364 -4.994 646 HB3 ARG 81 HB3 ARG 81 -1.435 13.916 -3.712 647 HG2 ARG 81 HG2 ARG 81 -2.002 16.267 -3.321 648 HG3 ARG 81 HG3 ARG 81 -0.810 16.784 -4.514 649 HD2 ARG 81 HD2 ARG 81 -3.240 15.070 -5.129 650 HD3 ARG 81 HD3 ARG 81 -3.155 16.819 -5.361 651 HE ARG 81 HE ARG 81 -1.004 15.748 -6.730 652 HH11 ARG 81 HH11 ARG 81 -4.487 15.462 -6.982 653 HH12 ARG 81 HH12 ARG 81 -4.466 15.280 -8.704 654 HH21 ARG 81 HH21 ARG 81 -0.984 15.465 -8.972 655 HH22 ARG 81 HH22 ARG 81 -2.483 15.287 -9.833 656 H ASP 82 H ASP 82 0.626 17.187 -2.243 657 HA ASP 82 HA ASP 82 2.260 18.266 -4.312 658 HB2 ASP 82 HB2 ASP 82 0.642 19.591 -2.868 659 HB3 ASP 82 HB3 ASP 82 1.784 19.456 -1.538 660 H LEU 83 H LEU 83 2.983 16.629 -1.347 661 HA LEU 83 HA LEU 83 5.659 17.425 -0.932 662 HB2 LEU 83 HB2 LEU 83 4.071 16.066 0.605 663 HB3 LEU 83 HB3 LEU 83 4.545 14.658 -0.322 664 HG LEU 83 HG LEU 83 6.556 16.385 1.194 665 HD11 LEU 83 HD11 LEU 83 4.939 15.490 2.793 666 HD12 LEU 83 HD12 LEU 83 6.509 14.715 2.985 667 HD13 LEU 83 HD13 LEU 83 5.197 13.857 2.170 668 HD21 LEU 83 HD21 LEU 83 6.808 13.537 0.143 669 HD22 LEU 83 HD22 LEU 83 8.036 14.412 1.065 670 HD23 LEU 83 HD23 LEU 83 7.582 14.969 -0.543 671 HA PRO 84 HA PRO 84 7.085 15.499 -4.835 672 HB2 PRO 84 HB2 PRO 84 9.502 16.704 -5.011 673 HB3 PRO 84 HB3 PRO 84 8.006 17.626 -5.222 674 HG2 PRO 84 HG2 PRO 84 9.772 17.428 -2.787 675 HG3 PRO 84 HG3 PRO 84 9.009 18.864 -3.500 676 HD2 PRO 84 HD2 PRO 84 7.960 17.477 -1.333 677 HD3 PRO 84 HD3 PRO 84 6.992 18.472 -2.443 678 H GLU 85 H GLU 85 9.507 14.572 -5.432 679 HA GLU 85 HA GLU 85 9.978 12.401 -3.536 680 HB2 GLU 85 HB2 GLU 85 11.257 12.879 -6.266 681 HB3 GLU 85 HB3 GLU 85 11.394 11.414 -5.307 682 HG2 GLU 85 HG2 GLU 85 8.798 12.466 -6.494 683 HG3 GLU 85 HG3 GLU 85 9.802 11.204 -7.204 684 H THR 86 H THR 86 10.640 14.332 -2.098 685 HA THR 86 HA THR 86 13.164 15.604 -2.400 686 HB THR 86 HB THR 86 11.559 15.163 0.168 687 HG1 THR 86 HG1 THR 86 11.389 17.174 -1.847 688 HG21 THR 86 HG21 THR 86 12.647 17.239 0.960 689 HG22 THR 86 HG22 THR 86 13.579 17.334 -0.536 690 HG23 THR 86 HG23 THR 86 13.858 16.005 0.591 691 H VAL 87 H VAL 87 12.044 12.759 -0.549 692 HA VAL 87 HA VAL 87 14.772 12.220 0.400 693 HB VAL 87 HB VAL 87 13.731 10.560 1.947 694 HG11 VAL 87 HG11 VAL 87 14.101 12.895 2.673 695 HG12 VAL 87 HG12 VAL 87 12.667 12.219 3.447 696 HG13 VAL 87 HG13 VAL 87 12.492 13.342 2.094 697 HG21 VAL 87 HG21 VAL 87 11.261 10.501 2.271 698 HG22 VAL 87 HG22 VAL 87 11.706 9.916 0.668 699 HG23 VAL 87 HG23 VAL 87 11.052 11.543 0.860 700 H THR 88 H THR 88 15.574 11.651 -1.664 701 HA THR 88 HA THR 88 14.726 9.187 -2.941 702 HB THR 88 HB THR 88 15.661 11.047 -4.311 703 HG1 THR 88 HG1 THR 88 15.883 8.730 -4.892 704 HG21 THR 88 HG21 THR 88 18.320 10.409 -2.981 705 HG22 THR 88 HG22 THR 88 17.399 11.898 -2.772 706 HG23 THR 88 HG23 THR 88 18.087 11.503 -4.349 707 H ASP 89 H ASP 89 17.063 10.219 -0.571 708 HA ASP 89 HA ASP 89 18.333 7.613 -0.273 709 HB2 ASP 89 HB2 ASP 89 19.650 9.688 0.044 710 HB3 ASP 89 HB3 ASP 89 18.548 10.228 1.298 711 H LEU 90 H LEU 90 18.169 6.445 1.789 712 HA LEU 90 HA LEU 90 15.567 5.703 2.425 713 HB2 LEU 90 HB2 LEU 90 17.478 4.211 2.740 714 HB3 LEU 90 HB3 LEU 90 18.145 5.268 3.972 715 HG LEU 90 HG LEU 90 16.197 4.725 5.463 716 HD11 LEU 90 HD11 LEU 90 14.718 2.852 4.943 717 HD12 LEU 90 HD12 LEU 90 15.436 2.702 3.339 718 HD13 LEU 90 HD13 LEU 90 14.531 4.154 3.771 719 HD21 LEU 90 HD21 LEU 90 16.924 2.466 6.081 720 HD22 LEU 90 HD22 LEU 90 18.303 3.501 5.718 721 HD23 LEU 90 HD23 LEU 90 17.770 2.300 4.538 722 H SER 91 H SER 91 14.168 7.225 3.190 723 HA SER 91 HA SER 91 14.438 8.059 5.975 724 HB2 SER 91 HB2 SER 91 14.032 10.070 3.711 725 HB3 SER 91 HB3 SER 91 13.742 10.433 5.415 726 HG SER 91 HG SER 91 16.143 9.367 5.280 727 H GLN 92 H GLN 92 12.511 8.281 6.993 728 HA GLN 92 HA GLN 92 10.132 7.178 5.834 729 HB2 GLN 92 HB2 GLN 92 9.124 7.721 8.092 730 HB3 GLN 92 HB3 GLN 92 10.565 6.716 8.162 731 HG2 GLN 92 HG2 GLN 92 11.907 8.747 8.728 732 HG3 GLN 92 HG3 GLN 92 10.413 9.683 8.762 733 HE21 GLN 92 HE21 GLN 92 12.372 9.200 10.890 734 HE22 GLN 92 HE22 GLN 92 11.488 8.488 12.194 735 H ILE 93 H ILE 93 8.716 8.250 4.641 736 HA ILE 93 HA ILE 93 8.610 11.085 4.341 737 HB ILE 93 HB ILE 93 6.228 10.403 3.203 738 HG12 ILE 93 HG12 ILE 93 6.397 8.141 2.098 739 HG13 ILE 93 HG13 ILE 93 7.792 7.773 3.094 740 HG21 ILE 93 HG21 ILE 93 8.102 11.431 2.011 741 HG22 ILE 93 HG22 ILE 93 7.400 10.128 1.054 742 HG23 ILE 93 HG23 ILE 93 8.927 9.873 1.906 743 HD11 ILE 93 HD11 ILE 93 6.390 7.784 5.079 744 HD12 ILE 93 HD12 ILE 93 5.779 6.661 3.865 745 HD13 ILE 93 HD13 ILE 93 4.988 8.219 4.101 746 H VAL 94 H VAL 94 7.459 12.606 5.455 747 HA VAL 94 HA VAL 94 5.193 11.745 7.145 748 HB VAL 94 HB VAL 94 6.945 12.512 8.627 749 HG11 VAL 94 HG11 VAL 94 7.986 14.762 8.514 750 HG12 VAL 94 HG12 VAL 94 7.137 15.078 7.002 751 HG13 VAL 94 HG13 VAL 94 8.353 13.804 7.075 752 HG21 VAL 94 HG21 VAL 94 5.831 14.381 9.791 753 HG22 VAL 94 HG22 VAL 94 4.643 13.211 9.218 754 HG23 VAL 94 HG23 VAL 94 4.873 14.730 8.349 755 H TRP 95 H TRP 95 3.367 12.362 6.321 756 HA TRP 95 HA TRP 95 2.983 15.013 5.105 757 HB2 TRP 95 HB2 TRP 95 1.426 13.750 3.377 758 HB3 TRP 95 HB3 TRP 95 3.150 13.837 3.079 759 HD1 TRP 95 HD1 TRP 95 1.319 11.212 5.326 760 HE1 TRP 95 HE1 TRP 95 1.874 8.890 4.387 761 HE3 TRP 95 HE3 TRP 95 3.939 12.615 1.145 762 HZ2 TRP 95 HZ2 TRP 95 3.222 7.814 2.198 763 HZ3 TRP 95 HZ3 TRP 95 4.786 10.841 -0.341 764 HH2 TRP 95 HH2 TRP 95 4.422 8.475 0.184 765 HA PRO 96 HA PRO 96 -0.552 15.532 7.616 766 HB2 PRO 96 HB2 PRO 96 -2.748 15.930 5.883 767 HB3 PRO 96 HB3 PRO 96 -1.594 17.170 6.387 768 HG2 PRO 96 HG2 PRO 96 -1.608 15.490 3.888 769 HG3 PRO 96 HG3 PRO 96 -1.281 17.229 4.065 770 HD2 PRO 96 HD2 PRO 96 0.739 15.528 3.749 771 HD3 PRO 96 HD3 PRO 96 0.893 16.848 4.932 772 H GLN 97 H GLN 97 -1.744 14.248 8.815 773 HA GLN 97 HA GLN 97 -3.137 11.880 7.763 774 HB2 GLN 97 HB2 GLN 97 -1.836 11.690 9.895 775 HB3 GLN 97 HB3 GLN 97 -2.883 12.895 10.634 776 HG2 GLN 97 HG2 GLN 97 -3.464 10.589 11.309 777 HG3 GLN 97 HG3 GLN 97 -4.793 11.410 10.493 778 HE21 GLN 97 HE21 GLN 97 -5.811 9.492 9.937 779 HE22 GLN 97 HE22 GLN 97 -5.196 8.413 8.732 780 H LEU 98 H LEU 98 -5.466 11.640 8.159 781 HA LEU 98 HA LEU 98 -6.755 13.736 6.889 782 HB2 LEU 98 HB2 LEU 98 -8.892 12.404 7.278 783 HB3 LEU 98 HB3 LEU 98 -7.583 11.608 6.433 784 HG LEU 98 HG LEU 98 -7.039 10.440 8.653 785 HD11 LEU 98 HD11 LEU 98 -9.784 11.462 9.439 786 HD12 LEU 98 HD12 LEU 98 -8.248 11.835 10.228 787 HD13 LEU 98 HD13 LEU 98 -8.882 10.193 10.282 788 HD21 LEU 98 HD21 LEU 98 -9.699 9.827 7.327 789 HD22 LEU 98 HD22 LEU 98 -8.745 8.705 8.305 790 HD23 LEU 98 HD23 LEU 98 -8.109 9.292 6.769 791 HA PRO 99 HA PRO 99 -7.773 16.726 9.869 792 HB2 PRO 99 HB2 PRO 99 -9.978 17.950 8.773 793 HB3 PRO 99 HB3 PRO 99 -8.347 18.104 8.104 794 HG2 PRO 99 HG2 PRO 99 -10.577 16.246 7.239 795 HG3 PRO 99 HG3 PRO 99 -9.525 17.268 6.231 796 HD2 PRO 99 HD2 PRO 99 -9.041 14.622 6.548 797 HD3 PRO 99 HD3 PRO 99 -7.709 15.794 6.414 798 H VAL 100 H VAL 100 -10.571 14.765 8.942 799 HA VAL 100 HA VAL 100 -12.110 15.581 11.292 800 HB VAL 100 HB VAL 100 -12.912 13.829 8.923 801 HG11 VAL 100 HG11 VAL 100 -14.658 15.154 11.046 802 HG12 VAL 100 HG12 VAL 100 -14.348 13.424 10.899 803 HG13 VAL 100 HG13 VAL 100 -15.251 14.263 9.640 804 HG21 VAL 100 HG21 VAL 100 -12.323 16.127 8.208 805 HG22 VAL 100 HG22 VAL 100 -13.457 16.793 9.385 806 HG23 VAL 100 HG23 VAL 100 -14.054 15.834 8.031 Start of MODEL 20 1 H MET 1 H MET 1 7.707 -4.113 6.566 2 HA MET 1 HA MET 1 5.346 -4.941 5.018 3 HB2 MET 1 HB2 MET 1 6.780 -4.237 2.997 4 HB3 MET 1 HB3 MET 1 6.085 -2.944 3.965 5 HG2 MET 1 HG2 MET 1 8.343 -2.370 3.336 6 HG3 MET 1 HG3 MET 1 8.272 -2.624 5.073 7 HE1 MET 1 HE1 MET 1 9.682 -3.915 1.648 8 HE2 MET 1 HE2 MET 1 8.586 -5.227 2.091 9 HE3 MET 1 HE3 MET 1 10.325 -5.501 2.109 10 H LEU 2 H LEU 2 5.749 -6.575 3.486 11 HA LEU 2 HA LEU 2 8.124 -8.291 3.941 12 HB2 LEU 2 HB2 LEU 2 6.678 -10.155 3.009 13 HB3 LEU 2 HB3 LEU 2 6.197 -9.529 4.570 14 HG LEU 2 HG LEU 2 4.437 -8.128 3.260 15 HD11 LEU 2 HD11 LEU 2 4.984 -10.195 1.121 16 HD12 LEU 2 HD12 LEU 2 5.224 -8.451 0.988 17 HD13 LEU 2 HD13 LEU 2 3.600 -9.100 1.175 18 HD21 LEU 2 HD21 LEU 2 4.102 -11.137 3.452 19 HD22 LEU 2 HD22 LEU 2 2.799 -9.947 3.363 20 HD23 LEU 2 HD23 LEU 2 3.869 -9.976 4.762 21 H LEU 3 H LEU 3 9.169 -9.160 2.015 22 HA LEU 3 HA LEU 3 9.412 -7.335 -0.098 23 HB2 LEU 3 HB2 LEU 3 10.409 -10.161 0.362 24 HB3 LEU 3 HB3 LEU 3 10.734 -9.336 -1.152 25 HG LEU 3 HG LEU 3 12.021 -7.602 0.002 26 HD11 LEU 3 HD11 LEU 3 12.590 -7.717 2.384 27 HD12 LEU 3 HD12 LEU 3 11.458 -9.055 2.601 28 HD13 LEU 3 HD13 LEU 3 10.861 -7.456 2.146 29 HD21 LEU 3 HD21 LEU 3 13.193 -9.611 -0.756 30 HD22 LEU 3 HD22 LEU 3 12.913 -10.385 0.806 31 HD23 LEU 3 HD23 LEU 3 13.936 -8.953 0.699 32 H HIS 4 H HIS 4 7.482 -6.978 -1.178 33 HA HIS 4 HA HIS 4 5.618 -8.405 -2.350 34 HB2 HIS 4 HB2 HIS 4 5.998 -5.959 -2.656 35 HB3 HIS 4 HB3 HIS 4 7.264 -6.311 -3.825 36 HD1 HIS 4 HD1 HIS 4 6.382 -5.754 -6.074 37 HD2 HIS 4 HD2 HIS 4 3.479 -7.565 -3.711 38 HE1 HIS 4 HE1 HIS 4 4.345 -5.940 -7.533 39 HE2 HIS 4 HE2 HIS 4 2.684 -7.223 -6.149 40 H SER 5 H SER 5 8.954 -8.434 -3.533 41 HA SER 5 HA SER 5 8.620 -11.071 -4.597 42 HB2 SER 5 HB2 SER 5 7.785 -9.755 -6.533 43 HB3 SER 5 HB3 SER 5 9.289 -8.836 -6.565 44 HG SER 5 HG SER 5 9.290 -11.655 -6.726 45 H VAL 6 H VAL 6 10.449 -12.114 -4.235 46 HA VAL 6 HA VAL 6 13.061 -10.773 -4.481 47 HB VAL 6 HB VAL 6 12.674 -11.035 -2.079 48 HG11 VAL 6 HG11 VAL 6 12.273 -14.014 -2.517 49 HG12 VAL 6 HG12 VAL 6 11.014 -12.857 -2.083 50 HG13 VAL 6 HG13 VAL 6 12.328 -13.193 -0.953 51 HG21 VAL 6 HG21 VAL 6 14.718 -13.063 -3.062 52 HG22 VAL 6 HG22 VAL 6 14.686 -12.339 -1.453 53 HG23 VAL 6 HG23 VAL 6 14.981 -11.327 -2.866 54 H GLU 7 H GLU 7 13.997 -11.649 -6.220 55 HA GLU 7 HA GLU 7 13.294 -14.313 -7.151 56 HB2 GLU 7 HB2 GLU 7 13.634 -12.474 -8.810 57 HB3 GLU 7 HB3 GLU 7 15.320 -12.362 -8.321 58 HG2 GLU 7 HG2 GLU 7 15.677 -14.701 -9.068 59 HG3 GLU 7 HG3 GLU 7 13.996 -14.777 -9.597 60 H THR 8 H THR 8 14.045 -15.715 -5.704 61 HA THR 8 HA THR 8 16.701 -15.755 -4.583 62 HB THR 8 HB THR 8 15.969 -17.892 -3.553 63 HG1 THR 8 HG1 THR 8 13.647 -17.618 -5.188 64 HG21 THR 8 HG21 THR 8 15.172 -15.801 -2.494 65 HG22 THR 8 HG22 THR 8 13.995 -17.098 -2.304 66 HG23 THR 8 HG23 THR 8 13.728 -15.836 -3.506 67 HA PRO 9 HA PRO 9 18.933 -18.234 -7.664 68 HB2 PRO 9 HB2 PRO 9 19.555 -20.160 -5.418 69 HB3 PRO 9 HB3 PRO 9 20.645 -19.427 -6.611 70 HG2 PRO 9 HG2 PRO 9 20.592 -18.465 -4.142 71 HG3 PRO 9 HG3 PRO 9 20.646 -17.344 -5.516 72 HD2 PRO 9 HD2 PRO 9 18.291 -18.098 -3.783 73 HD3 PRO 9 HD3 PRO 9 18.755 -16.508 -4.434 74 H ARG 10 H ARG 10 16.525 -19.818 -5.638 75 HA ARG 10 HA ARG 10 16.286 -22.153 -7.395 76 HB2 ARG 10 HB2 ARG 10 14.644 -22.990 -5.765 77 HB3 ARG 10 HB3 ARG 10 16.127 -22.494 -4.960 78 HG2 ARG 10 HG2 ARG 10 15.056 -20.420 -4.206 79 HG3 ARG 10 HG3 ARG 10 13.581 -20.849 -5.074 80 HD2 ARG 10 HD2 ARG 10 13.351 -21.323 -2.683 81 HD3 ARG 10 HD3 ARG 10 13.289 -22.816 -3.623 82 HE ARG 10 HE ARG 10 15.938 -22.323 -2.745 83 HH11 ARG 10 HH11 ARG 10 12.832 -23.406 -1.482 84 HH12 ARG 10 HH12 ARG 10 13.564 -24.289 -0.185 85 HH21 ARG 10 HH21 ARG 10 16.843 -23.454 -0.998 86 HH22 ARG 10 HH22 ARG 10 15.807 -24.313 0.091 87 H GLY 11 H GLY 11 15.142 -19.045 -7.529 88 HA2 GLY 11 HA2 GLY 11 13.799 -18.856 -9.734 89 HA3 GLY 11 HA3 GLY 11 12.562 -19.715 -8.826 90 H GLU 12 H GLU 12 11.484 -17.627 -9.612 91 HA GLU 12 HA GLU 12 12.024 -15.264 -7.958 92 HB2 GLU 12 HB2 GLU 12 11.495 -14.895 -10.346 93 HB3 GLU 12 HB3 GLU 12 9.945 -15.708 -10.143 94 HG2 GLU 12 HG2 GLU 12 9.241 -13.928 -8.561 95 HG3 GLU 12 HG3 GLU 12 10.786 -13.113 -8.820 96 H ILE 13 H ILE 13 10.687 -14.621 -6.289 97 HA ILE 13 HA ILE 13 8.477 -16.433 -5.476 98 HB ILE 13 HB ILE 13 10.421 -15.158 -3.481 99 HG12 ILE 13 HG12 ILE 13 11.746 -16.764 -4.804 100 HG13 ILE 13 HG13 ILE 13 11.505 -17.375 -3.176 101 HG21 ILE 13 HG21 ILE 13 8.208 -15.712 -2.576 102 HG22 ILE 13 HG22 ILE 13 9.437 -16.763 -1.869 103 HG23 ILE 13 HG23 ILE 13 8.370 -17.380 -3.135 104 HD11 ILE 13 HD11 ILE 13 11.323 -19.155 -4.764 105 HD12 ILE 13 HD12 ILE 13 10.088 -18.287 -5.673 106 HD13 ILE 13 HD13 ILE 13 9.739 -18.871 -4.042 107 H LEU 14 H LEU 14 6.689 -15.323 -4.622 108 HA LEU 14 HA LEU 14 6.773 -12.345 -4.737 109 HB2 LEU 14 HB2 LEU 14 4.387 -14.107 -5.427 110 HB3 LEU 14 HB3 LEU 14 4.498 -12.360 -5.609 111 HG LEU 14 HG LEU 14 6.021 -14.436 -7.243 112 HD11 LEU 14 HD11 LEU 14 3.647 -14.324 -7.818 113 HD12 LEU 14 HD12 LEU 14 4.648 -13.697 -9.122 114 HD13 LEU 14 HD13 LEU 14 3.769 -12.580 -8.073 115 HD21 LEU 14 HD21 LEU 14 7.409 -12.432 -6.954 116 HD22 LEU 14 HD22 LEU 14 6.087 -11.407 -7.507 117 HD23 LEU 14 HD23 LEU 14 6.840 -12.555 -8.618 118 H ASN 15 H ASN 15 6.068 -11.291 -2.984 119 HA ASN 15 HA ASN 15 5.123 -10.684 -1.040 120 HB2 ASN 15 HB2 ASN 15 3.008 -12.693 -1.891 121 HB3 ASN 15 HB3 ASN 15 2.792 -11.530 -0.582 122 HD21 ASN 15 HD21 ASN 15 1.393 -11.868 -3.199 123 HD22 ASN 15 HD22 ASN 15 1.502 -10.332 -3.979 124 H VAL 16 H VAL 16 6.943 -11.571 0.033 125 HA VAL 16 HA VAL 16 6.289 -13.597 2.021 126 HB VAL 16 HB VAL 16 7.209 -14.946 0.153 127 HG11 VAL 16 HG11 VAL 16 9.708 -13.237 0.348 128 HG12 VAL 16 HG12 VAL 16 8.553 -13.230 -0.987 129 HG13 VAL 16 HG13 VAL 16 9.520 -14.674 -0.663 130 HG21 VAL 16 HG21 VAL 16 9.176 -14.738 2.463 131 HG22 VAL 16 HG22 VAL 16 9.044 -16.104 1.353 132 HG23 VAL 16 HG23 VAL 16 7.704 -15.712 2.431 133 H SER 17 H SER 17 7.387 -13.225 3.951 134 HA SER 17 HA SER 17 8.730 -10.764 4.412 135 HB2 SER 17 HB2 SER 17 9.221 -11.743 6.674 136 HB3 SER 17 HB3 SER 17 7.526 -11.927 6.222 137 HG SER 17 HG SER 17 7.754 -14.015 6.221 138 H GLU 18 H GLU 18 10.912 -10.376 4.750 139 HA GLU 18 HA GLU 18 12.898 -11.865 3.385 140 HB2 GLU 18 HB2 GLU 18 14.503 -10.416 5.025 141 HB3 GLU 18 HB3 GLU 18 13.723 -9.747 3.609 142 HG2 GLU 18 HG2 GLU 18 13.618 -8.252 5.540 143 HG3 GLU 18 HG3 GLU 18 12.027 -8.704 4.948 144 H GLN 19 H GLN 19 11.667 -12.144 6.625 145 HA GLN 19 HA GLN 19 13.616 -13.811 7.789 146 HB2 GLN 19 HB2 GLN 19 10.599 -13.757 8.263 147 HB3 GLN 19 HB3 GLN 19 11.769 -14.600 9.284 148 HG2 GLN 19 HG2 GLN 19 12.879 -12.426 9.754 149 HG3 GLN 19 HG3 GLN 19 11.629 -11.603 8.824 150 HE21 GLN 19 HE21 GLN 19 12.343 -11.266 11.633 151 HE22 GLN 19 HE22 GLN 19 10.909 -11.593 12.537 152 H GLU 20 H GLU 20 10.546 -14.747 6.140 153 HA GLU 20 HA GLU 20 11.126 -17.540 6.100 154 HB2 GLU 20 HB2 GLU 20 8.815 -16.721 6.026 155 HB3 GLU 20 HB3 GLU 20 9.109 -15.922 4.487 156 HG2 GLU 20 HG2 GLU 20 9.322 -18.037 3.344 157 HG3 GLU 20 HG3 GLU 20 9.298 -18.923 4.861 158 H ALA 21 H ALA 21 11.326 -15.029 3.580 159 HA ALA 21 HA ALA 21 12.317 -16.289 1.421 160 HB1 ALA 21 HB1 ALA 21 11.906 -13.869 1.520 161 HB2 ALA 21 HB2 ALA 21 13.489 -14.215 0.817 162 HB3 ALA 21 HB3 ALA 21 13.364 -13.649 2.490 163 H ARG 22 H ARG 22 14.394 -15.170 4.133 164 HA ARG 22 HA ARG 22 16.787 -16.370 3.067 165 HB2 ARG 22 HB2 ARG 22 16.152 -15.169 5.783 166 HB3 ARG 22 HB3 ARG 22 17.746 -15.788 5.352 167 HG2 ARG 22 HG2 ARG 22 17.927 -14.129 3.563 168 HG3 ARG 22 HG3 ARG 22 16.306 -13.530 3.933 169 HD2 ARG 22 HD2 ARG 22 18.092 -12.100 4.889 170 HD3 ARG 22 HD3 ARG 22 17.043 -12.786 6.133 171 HE ARG 22 HE ARG 22 18.898 -14.552 6.327 172 HH11 ARG 22 HH11 ARG 22 19.488 -11.176 5.650 173 HH12 ARG 22 HH12 ARG 22 21.091 -11.217 6.309 174 HH21 ARG 22 HH21 ARG 22 20.974 -14.583 7.200 175 HH22 ARG 22 HH22 ARG 22 21.929 -13.130 7.189 176 H ASP 23 H ASP 23 14.284 -17.433 5.302 177 HA ASP 23 HA ASP 23 15.896 -19.416 6.657 178 HB2 ASP 23 HB2 ASP 23 14.089 -18.221 7.839 179 HB3 ASP 23 HB3 ASP 23 12.897 -18.842 6.705 180 H VAL 24 H VAL 24 12.964 -19.622 4.651 181 HA VAL 24 HA VAL 24 13.222 -22.450 4.143 182 HB VAL 24 HB VAL 24 11.286 -20.401 2.949 183 HG11 VAL 24 HG11 VAL 24 9.860 -22.335 2.357 184 HG12 VAL 24 HG12 VAL 24 11.096 -23.441 2.961 185 HG13 VAL 24 HG13 VAL 24 11.431 -22.431 1.552 186 HG21 VAL 24 HG21 VAL 24 10.886 -22.264 5.325 187 HG22 VAL 24 HG22 VAL 24 9.652 -21.209 4.631 188 HG23 VAL 24 HG23 VAL 24 11.077 -20.509 5.405 189 H PHE 25 H PHE 25 13.250 -19.526 2.061 190 HA PHE 25 HA PHE 25 13.867 -21.090 -0.299 191 HB2 PHE 25 HB2 PHE 25 13.611 -18.067 -0.009 192 HB3 PHE 25 HB3 PHE 25 13.641 -18.963 -1.524 193 HD1 PHE 25 HD1 PHE 25 11.709 -20.421 -2.162 194 HD2 PHE 25 HD2 PHE 25 11.561 -17.918 1.303 195 HE1 PHE 25 HE1 PHE 25 9.263 -20.669 -2.078 196 HE2 PHE 25 HE2 PHE 25 9.118 -18.171 1.373 197 HZ PHE 25 HZ PHE 25 7.969 -19.547 -0.313 198 H GLY 26 H GLY 26 15.705 -19.290 2.025 199 HA2 GLY 26 HA2 GLY 26 17.967 -18.961 2.269 200 HA3 GLY 26 HA3 GLY 26 18.228 -20.040 0.906 201 H ALA 27 H ALA 27 16.378 -17.054 0.934 202 HA ALA 27 HA ALA 27 17.457 -15.982 -1.437 203 HB1 ALA 27 HB1 ALA 27 16.166 -13.965 -0.896 204 HB2 ALA 27 HB2 ALA 27 15.922 -14.536 0.760 205 HB3 ALA 27 HB3 ALA 27 15.207 -15.412 -0.594 206 H SER 28 H SER 28 19.245 -14.800 -1.782 207 HA SER 28 HA SER 28 21.275 -14.418 0.103 208 HB2 SER 28 HB2 SER 28 22.353 -13.019 -1.681 209 HB3 SER 28 HB3 SER 28 21.746 -14.554 -2.297 210 HG SER 28 HG SER 28 21.145 -12.930 -3.696 211 H GLU 29 H GLU 29 22.099 -12.532 1.090 212 HA GLU 29 HA GLU 29 20.183 -10.743 2.214 213 HB2 GLU 29 HB2 GLU 29 23.219 -10.521 2.224 214 HB3 GLU 29 HB3 GLU 29 22.109 -9.734 3.352 215 HG2 GLU 29 HG2 GLU 29 21.409 -11.990 4.169 216 HG3 GLU 29 HG3 GLU 29 22.588 -12.729 3.089 217 H GLN 30 H GLN 30 22.346 -10.610 -0.501 218 HA GLN 30 HA GLN 30 22.229 -7.901 -1.247 219 HB2 GLN 30 HB2 GLN 30 22.345 -10.343 -3.082 220 HB3 GLN 30 HB3 GLN 30 22.822 -8.702 -3.509 221 HG2 GLN 30 HG2 GLN 30 24.196 -10.521 -1.507 222 HG3 GLN 30 HG3 GLN 30 24.775 -10.105 -3.116 223 HE21 GLN 30 HE21 GLN 30 25.524 -7.963 -3.503 224 HE22 GLN 30 HE22 GLN 30 26.048 -6.957 -2.198 225 H ALA 31 H ALA 31 20.087 -10.649 -2.037 226 HA ALA 31 HA ALA 31 18.344 -9.187 -3.763 227 HB1 ALA 31 HB1 ALA 31 17.885 -11.822 -2.313 228 HB2 ALA 31 HB2 ALA 31 18.584 -11.639 -3.922 229 HB3 ALA 31 HB3 ALA 31 16.901 -11.188 -3.634 230 H ILE 32 H ILE 32 17.677 -10.569 -0.471 231 HA ILE 32 HA ILE 32 15.702 -9.199 0.496 232 HB ILE 32 HB ILE 32 18.299 -9.383 2.063 233 HG12 ILE 32 HG12 ILE 32 17.711 -11.587 1.187 234 HG13 ILE 32 HG13 ILE 32 17.427 -11.560 2.918 235 HG21 ILE 32 HG21 ILE 32 15.439 -9.135 3.082 236 HG22 ILE 32 HG22 ILE 32 16.714 -7.921 3.213 237 HG23 ILE 32 HG23 ILE 32 16.855 -9.444 4.089 238 HD11 ILE 32 HD11 ILE 32 15.347 -11.411 0.745 239 HD12 ILE 32 HD12 ILE 32 15.013 -11.292 2.475 240 HD13 ILE 32 HD13 ILE 32 15.694 -12.773 1.808 241 H ALA 33 H ALA 33 18.787 -7.576 -0.146 242 HA ALA 33 HA ALA 33 18.106 -5.194 1.391 243 HB1 ALA 33 HB1 ALA 33 20.389 -5.645 -0.568 244 HB2 ALA 33 HB2 ALA 33 20.476 -5.849 1.182 245 HB3 ALA 33 HB3 ALA 33 20.202 -4.245 0.496 246 H ASP 34 H ASP 34 18.701 -5.919 -2.031 247 HA ASP 34 HA ASP 34 17.779 -3.633 -3.251 248 HB2 ASP 34 HB2 ASP 34 18.990 -5.586 -4.351 249 HB3 ASP 34 HB3 ASP 34 17.461 -6.455 -4.369 250 H ALA 35 H ALA 35 15.879 -6.521 -2.441 251 HA ALA 35 HA ALA 35 13.528 -5.694 -3.854 252 HB1 ALA 35 HB1 ALA 35 13.908 -8.029 -1.953 253 HB2 ALA 35 HB2 ALA 35 14.139 -8.066 -3.704 254 HB3 ALA 35 HB3 ALA 35 12.530 -7.779 -3.032 255 H ARG 36 H ARG 36 14.456 -5.841 -0.413 256 HA ARG 36 HA ARG 36 11.993 -4.959 0.692 257 HB2 ARG 36 HB2 ARG 36 13.713 -5.906 2.142 258 HB3 ARG 36 HB3 ARG 36 14.842 -4.627 1.713 259 HG2 ARG 36 HG2 ARG 36 13.358 -2.973 2.856 260 HG3 ARG 36 HG3 ARG 36 12.287 -4.291 3.335 261 HD2 ARG 36 HD2 ARG 36 13.858 -3.587 5.140 262 HD3 ARG 36 HD3 ARG 36 14.035 -5.290 4.694 263 HE ARG 36 HE ARG 36 15.846 -3.176 3.663 264 HH11 ARG 36 HH11 ARG 36 15.433 -6.300 5.228 265 HH12 ARG 36 HH12 ARG 36 17.120 -6.685 5.175 266 HH21 ARG 36 HH21 ARG 36 18.057 -3.708 3.597 267 HH22 ARG 36 HH22 ARG 36 18.605 -5.218 4.246 268 H LYS 37 H LYS 37 14.934 -3.187 -0.246 269 HA LYS 37 HA LYS 37 14.108 -0.564 0.089 270 HB2 LYS 37 HB2 LYS 37 16.426 -1.142 -0.412 271 HB3 LYS 37 HB3 LYS 37 15.970 -1.783 -1.985 272 HG2 LYS 37 HG2 LYS 37 15.293 0.547 -2.672 273 HG3 LYS 37 HG3 LYS 37 15.913 1.131 -1.129 274 HD2 LYS 37 HD2 LYS 37 17.573 1.477 -2.892 275 HD3 LYS 37 HD3 LYS 37 18.175 0.293 -1.728 276 HE2 LYS 37 HE2 LYS 37 17.592 -1.542 -3.260 277 HE3 LYS 37 HE3 LYS 37 16.897 -0.391 -4.404 278 HZ1 LYS 37 HZ1 LYS 37 19.742 -0.485 -3.572 279 HZ2 LYS 37 HZ2 LYS 37 19.069 0.591 -4.692 280 HZ3 LYS 37 HZ3 LYS 37 19.116 -1.065 -5.029 281 H ALA 38 H ALA 38 13.359 -2.804 -2.563 282 HA ALA 38 HA ALA 38 12.500 -0.717 -4.392 283 HB1 ALA 38 HB1 ALA 38 13.683 -2.698 -5.276 284 HB2 ALA 38 HB2 ALA 38 12.065 -2.567 -5.966 285 HB3 ALA 38 HB3 ALA 38 12.388 -3.747 -4.689 286 H THR 39 H THR 39 11.102 -3.146 -2.249 287 HA THR 39 HA THR 39 8.375 -2.810 -3.003 288 HB THR 39 HB THR 39 9.500 -3.780 -0.330 289 HG1 THR 39 HG1 THR 39 9.902 -4.975 -2.427 290 HG21 THR 39 HG21 THR 39 6.688 -4.078 -1.472 291 HG22 THR 39 HG22 THR 39 7.140 -3.071 -0.095 292 HG23 THR 39 HG23 THR 39 7.279 -4.824 0.020 293 H ILE 40 H ILE 40 10.291 -1.517 -0.240 294 HA ILE 40 HA ILE 40 8.464 0.300 0.817 295 HB ILE 40 HB ILE 40 11.481 0.111 0.883 296 HG12 ILE 40 HG12 ILE 40 10.064 -1.316 2.368 297 HG13 ILE 40 HG13 ILE 40 11.138 -0.260 3.282 298 HG21 ILE 40 HG21 ILE 40 11.688 2.057 2.413 299 HG22 ILE 40 HG22 ILE 40 10.014 2.496 2.061 300 HG23 ILE 40 HG23 ILE 40 11.223 2.529 0.777 301 HD11 ILE 40 HD11 ILE 40 8.194 0.220 2.802 302 HD12 ILE 40 HD12 ILE 40 9.276 1.255 3.741 303 HD13 ILE 40 HD13 ILE 40 8.929 -0.382 4.286 304 H LEU 41 H LEU 41 10.884 0.831 -1.693 305 HA LEU 41 HA LEU 41 10.644 3.481 -2.380 306 HB2 LEU 41 HB2 LEU 41 12.258 2.010 -3.417 307 HB3 LEU 41 HB3 LEU 41 10.996 0.990 -4.069 308 HG LEU 41 HG LEU 41 10.402 3.344 -5.354 309 HD11 LEU 41 HD11 LEU 41 12.451 4.400 -6.148 310 HD12 LEU 41 HD12 LEU 41 13.409 3.394 -5.054 311 HD13 LEU 41 HD13 LEU 41 12.267 4.574 -4.402 312 HD21 LEU 41 HD21 LEU 41 12.374 1.245 -6.308 313 HD22 LEU 41 HD22 LEU 41 11.481 2.377 -7.336 314 HD23 LEU 41 HD23 LEU 41 10.608 1.155 -6.401 315 H GLN 42 H GLN 42 8.622 0.743 -3.519 316 HA GLN 42 HA GLN 42 6.916 2.453 -5.124 317 HB2 GLN 42 HB2 GLN 42 7.535 0.244 -6.003 318 HB3 GLN 42 HB3 GLN 42 6.905 -0.544 -4.564 319 HG2 GLN 42 HG2 GLN 42 5.394 -0.814 -6.483 320 HG3 GLN 42 HG3 GLN 42 4.624 0.075 -5.170 321 HE21 GLN 42 HE21 GLN 42 3.105 1.090 -6.460 322 HE22 GLN 42 HE22 GLN 42 3.503 2.284 -7.642 323 H THR 43 H THR 43 7.019 1.089 -1.959 324 HA THR 43 HA THR 43 4.247 0.913 -1.333 325 HB THR 43 HB THR 43 6.662 1.099 0.526 326 HG1 THR 43 HG1 THR 43 5.893 -0.856 -0.933 327 HG21 THR 43 HG21 THR 43 4.691 1.901 1.785 328 HG22 THR 43 HG22 THR 43 5.209 0.316 2.364 329 HG23 THR 43 HG23 THR 43 3.796 0.452 1.317 330 H LEU 44 H LEU 44 6.582 3.541 -1.215 331 HA LEU 44 HA LEU 44 5.090 5.433 0.278 332 HB2 LEU 44 HB2 LEU 44 6.904 6.154 -2.055 333 HB3 LEU 44 HB3 LEU 44 6.556 7.110 -0.621 334 HG LEU 44 HG LEU 44 8.299 4.631 -0.804 335 HD11 LEU 44 HD11 LEU 44 9.020 7.492 -0.146 336 HD12 LEU 44 HD12 LEU 44 9.360 6.631 -1.649 337 HD13 LEU 44 HD13 LEU 44 10.124 6.112 -0.152 338 HD21 LEU 44 HD21 LEU 44 7.605 6.174 1.717 339 HD22 LEU 44 HD22 LEU 44 8.785 4.867 1.584 340 HD23 LEU 44 HD23 LEU 44 7.077 4.537 1.313 341 H ARG 45 H ARG 45 5.082 4.498 -3.093 342 HA ARG 45 HA ARG 45 3.355 6.583 -4.059 343 HB2 ARG 45 HB2 ARG 45 5.220 5.291 -5.313 344 HB3 ARG 45 HB3 ARG 45 4.035 4.004 -5.502 345 HG2 ARG 45 HG2 ARG 45 2.641 5.362 -6.890 346 HG3 ARG 45 HG3 ARG 45 3.492 6.839 -6.423 347 HD2 ARG 45 HD2 ARG 45 4.515 4.607 -8.214 348 HD3 ARG 45 HD3 ARG 45 4.229 6.296 -8.643 349 HE ARG 45 HE ARG 45 6.604 5.203 -7.535 350 HH11 ARG 45 HH11 ARG 45 4.757 8.196 -7.527 351 HH12 ARG 45 HH12 ARG 45 6.010 9.120 -6.773 352 HH21 ARG 45 HH21 ARG 45 8.271 6.455 -6.588 353 HH22 ARG 45 HH22 ARG 45 7.999 8.123 -6.239 354 H ILE 46 H ILE 46 3.039 3.201 -3.160 355 HA ILE 46 HA ILE 46 0.315 2.769 -3.801 356 HB ILE 46 HB ILE 46 2.063 1.478 -1.648 357 HG12 ILE 46 HG12 ILE 46 1.286 0.439 -4.420 358 HG13 ILE 46 HG13 ILE 46 2.843 1.143 -4.006 359 HG21 ILE 46 HG21 ILE 46 0.400 -0.366 -1.558 360 HG22 ILE 46 HG22 ILE 46 -0.653 0.528 -2.655 361 HG23 ILE 46 HG23 ILE 46 -0.311 1.168 -1.047 362 HD11 ILE 46 HD11 ILE 46 1.714 -1.416 -2.874 363 HD12 ILE 46 HD12 ILE 46 3.270 -0.695 -2.457 364 HD13 ILE 46 HD13 ILE 46 2.977 -1.266 -4.096 365 H GLU 47 H GLU 47 2.007 3.926 -0.958 366 HA GLU 47 HA GLU 47 0.006 4.047 0.969 367 HB2 GLU 47 HB2 GLU 47 2.768 4.763 0.774 368 HB3 GLU 47 HB3 GLU 47 1.959 6.230 1.246 369 HG2 GLU 47 HG2 GLU 47 1.816 3.606 2.734 370 HG3 GLU 47 HG3 GLU 47 2.861 4.950 3.160 371 H ARG 48 H ARG 48 1.277 6.690 -1.077 372 HA ARG 48 HA ARG 48 -0.533 8.711 -0.493 373 HB2 ARG 48 HB2 ARG 48 1.432 9.213 -1.810 374 HB3 ARG 48 HB3 ARG 48 0.952 8.090 -3.076 375 HG2 ARG 48 HG2 ARG 48 -0.847 9.535 -3.801 376 HG3 ARG 48 HG3 ARG 48 -0.643 10.586 -2.403 377 HD2 ARG 48 HD2 ARG 48 0.270 11.575 -4.485 378 HD3 ARG 48 HD3 ARG 48 1.510 11.361 -3.244 379 HE ARG 48 HE ARG 48 2.303 9.429 -4.442 380 HH11 ARG 48 HH11 ARG 48 0.086 11.419 -6.334 381 HH12 ARG 48 HH12 ARG 48 0.729 10.887 -7.854 382 HH21 ARG 48 HH21 ARG 48 3.150 8.788 -6.392 383 HH22 ARG 48 HH22 ARG 48 2.501 9.394 -7.885 384 H ASP 49 H ASP 49 -0.752 6.330 -3.148 385 HA ASP 49 HA ASP 49 -3.143 7.268 -4.285 386 HB2 ASP 49 HB2 ASP 49 -1.602 5.847 -5.522 387 HB3 ASP 49 HB3 ASP 49 -1.828 4.523 -4.388 388 H GLU 50 H GLU 50 -2.625 4.840 -1.759 389 HA GLU 50 HA GLU 50 -5.303 3.889 -1.603 390 HB2 GLU 50 HB2 GLU 50 -3.009 3.756 0.380 391 HB3 GLU 50 HB3 GLU 50 -4.559 2.964 0.637 392 HG2 GLU 50 HG2 GLU 50 -2.620 2.381 -1.620 393 HG3 GLU 50 HG3 GLU 50 -2.856 1.396 -0.179 394 H ARG 51 H ARG 51 -3.552 6.481 0.075 395 HA ARG 51 HA ARG 51 -5.582 6.991 2.057 396 HB2 ARG 51 HB2 ARG 51 -3.207 8.669 1.151 397 HB3 ARG 51 HB3 ARG 51 -4.193 9.009 2.577 398 HG2 ARG 51 HG2 ARG 51 -3.473 6.925 3.621 399 HG3 ARG 51 HG3 ARG 51 -2.589 6.469 2.164 400 HD2 ARG 51 HD2 ARG 51 -0.981 7.292 3.713 401 HD3 ARG 51 HD3 ARG 51 -1.172 8.532 2.474 402 HE ARG 51 HE ARG 51 -2.615 9.733 4.063 403 HH11 ARG 51 HH11 ARG 51 -0.317 7.406 5.335 404 HH12 ARG 51 HH12 ARG 51 -0.325 8.103 6.930 405 HH21 ARG 51 HH21 ARG 51 -2.615 10.616 6.144 406 HH22 ARG 51 HH22 ARG 51 -1.606 9.931 7.373 407 H LEU 52 H LEU 52 -4.727 8.432 -1.061 408 HA LEU 52 HA LEU 52 -6.559 10.623 -0.959 409 HB2 LEU 52 HB2 LEU 52 -4.900 9.348 -3.134 410 HB3 LEU 52 HB3 LEU 52 -6.149 10.494 -3.582 411 HG LEU 52 HG LEU 52 -5.035 12.254 -2.249 412 HD11 LEU 52 HD11 LEU 52 -2.826 10.294 -1.701 413 HD12 LEU 52 HD12 LEU 52 -3.977 10.910 -0.517 414 HD13 LEU 52 HD13 LEU 52 -2.839 12.010 -1.290 415 HD21 LEU 52 HD21 LEU 52 -3.197 10.917 -4.243 416 HD22 LEU 52 HD22 LEU 52 -3.118 12.604 -3.725 417 HD23 LEU 52 HD23 LEU 52 -4.518 12.028 -4.624 418 H ARG 53 H ARG 53 -6.759 7.320 -2.332 419 HA ARG 53 HA ARG 53 -9.423 7.704 -3.390 420 HB2 ARG 53 HB2 ARG 53 -9.409 5.360 -3.975 421 HB3 ARG 53 HB3 ARG 53 -7.828 6.027 -4.359 422 HG2 ARG 53 HG2 ARG 53 -6.871 4.991 -2.358 423 HG3 ARG 53 HG3 ARG 53 -8.456 4.375 -1.891 424 HD2 ARG 53 HD2 ARG 53 -7.018 2.647 -2.961 425 HD3 ARG 53 HD3 ARG 53 -8.525 2.926 -3.842 426 HE ARG 53 HE ARG 53 -6.256 4.462 -4.806 427 HH11 ARG 53 HH11 ARG 53 -7.885 1.354 -5.084 428 HH12 ARG 53 HH12 ARG 53 -7.393 1.115 -6.729 429 HH21 ARG 53 HH21 ARG 53 -5.642 4.130 -6.967 430 HH22 ARG 53 HH22 ARG 53 -6.124 2.679 -7.789 431 H ALA 54 H ALA 54 -8.091 6.821 -0.287 432 HA ALA 54 HA ALA 54 -10.411 5.649 0.889 433 HB1 ALA 54 HB1 ALA 54 -8.160 7.175 2.252 434 HB2 ALA 54 HB2 ALA 54 -8.190 5.442 1.927 435 HB3 ALA 54 HB3 ALA 54 -9.346 6.140 3.060 436 H CYS 55 H CYS 55 -9.471 8.900 0.165 437 HA CYS 55 HA CYS 55 -11.644 10.158 1.676 438 HB2 CYS 55 HB2 CYS 55 -9.447 11.379 -0.043 439 HB3 CYS 55 HB3 CYS 55 -10.565 12.273 0.992 440 HG CYS 55 HG CYS 55 -8.611 9.893 2.416 441 H ASP 56 H ASP 56 -11.912 8.424 -0.918 442 HA ASP 56 HA ASP 56 -12.842 10.077 -3.020 443 HB2 ASP 56 HB2 ASP 56 -12.330 7.673 -3.334 444 HB3 ASP 56 HB3 ASP 56 -13.669 7.232 -2.283 445 H TRP 57 H TRP 57 -14.429 8.713 -0.171 446 HA TRP 57 HA TRP 57 -17.123 9.085 -0.755 447 HB2 TRP 57 HB2 TRP 57 -17.550 8.830 1.627 448 HB3 TRP 57 HB3 TRP 57 -16.208 7.777 1.189 449 HD1 TRP 57 HD1 TRP 57 -13.751 8.435 2.205 450 HE1 TRP 57 HE1 TRP 57 -13.057 9.918 4.189 451 HE3 TRP 57 HE3 TRP 57 -18.153 10.959 2.940 452 HZ2 TRP 57 HZ2 TRP 57 -14.212 11.897 5.838 453 HZ3 TRP 57 HZ3 TRP 57 -18.268 12.645 4.724 454 HH2 TRP 57 HH2 TRP 57 -16.330 13.104 6.150 455 H THR 58 H THR 58 -14.794 11.442 0.402 456 HA THR 58 HA THR 58 -16.840 13.489 0.923 457 HB THR 58 HB THR 58 -15.269 13.344 2.715 458 HG1 THR 58 HG1 THR 58 -14.818 15.417 2.847 459 HG21 THR 58 HG21 THR 58 -12.837 13.584 2.480 460 HG22 THR 58 HG22 THR 58 -12.998 13.641 0.725 461 HG23 THR 58 HG23 THR 58 -13.420 12.168 1.603 462 H GLN 59 H GLN 59 -14.389 12.629 -1.413 463 HA GLN 59 HA GLN 59 -14.261 15.308 -2.575 464 HB2 GLN 59 HB2 GLN 59 -12.847 12.729 -3.363 465 HB3 GLN 59 HB3 GLN 59 -12.592 14.290 -4.146 466 HG2 GLN 59 HG2 GLN 59 -11.989 13.606 -1.252 467 HG3 GLN 59 HG3 GLN 59 -10.811 13.839 -2.544 468 HE21 GLN 59 HE21 GLN 59 -11.233 15.240 0.053 469 HE22 GLN 59 HE22 GLN 59 -11.361 16.917 -0.350 470 H VAL 60 H VAL 60 -16.333 12.694 -2.925 471 HA VAL 60 HA VAL 60 -17.051 13.200 -5.703 472 HB VAL 60 HB VAL 60 -18.970 11.650 -5.278 473 HG11 VAL 60 HG11 VAL 60 -16.274 10.546 -4.421 474 HG12 VAL 60 HG12 VAL 60 -16.851 10.721 -6.078 475 HG13 VAL 60 HG13 VAL 60 -17.641 9.583 -4.987 476 HG21 VAL 60 HG21 VAL 60 -19.138 10.419 -3.135 477 HG22 VAL 60 HG22 VAL 60 -19.399 12.148 -2.906 478 HG23 VAL 60 HG23 VAL 60 -17.854 11.421 -2.449 479 H GLN 61 H GLN 61 -19.177 13.919 -6.334 480 HA GLN 61 HA GLN 61 -20.236 16.160 -4.834 481 HB2 GLN 61 HB2 GLN 61 -21.740 16.465 -6.761 482 HB3 GLN 61 HB3 GLN 61 -20.075 16.270 -7.293 483 HG2 GLN 61 HG2 GLN 61 -20.520 13.964 -7.965 484 HG3 GLN 61 HG3 GLN 61 -22.165 14.071 -7.342 485 HE21 GLN 61 HE21 GLN 61 -21.269 13.435 -10.038 486 HE22 GLN 61 HE22 GLN 61 -22.009 14.598 -11.083 487 H ASP 62 H ASP 62 -20.853 12.807 -5.008 488 HA ASP 62 HA ASP 62 -23.601 12.529 -4.557 489 HB2 ASP 62 HB2 ASP 62 -22.198 10.623 -5.167 490 HB3 ASP 62 HB3 ASP 62 -21.243 10.789 -3.701 491 H VAL 63 H VAL 63 -20.964 13.181 -2.292 492 HA VAL 63 HA VAL 63 -22.638 12.940 0.077 493 HB VAL 63 HB VAL 63 -20.208 12.236 0.040 494 HG11 VAL 63 HG11 VAL 63 -19.280 14.102 -1.309 495 HG12 VAL 63 HG12 VAL 63 -18.429 13.935 0.224 496 HG13 VAL 63 HG13 VAL 63 -19.614 15.221 0.015 497 HG21 VAL 63 HG21 VAL 63 -20.920 14.326 2.122 498 HG22 VAL 63 HG22 VAL 63 -19.650 13.106 2.283 499 HG23 VAL 63 HG23 VAL 63 -21.341 12.611 2.173 500 H VAL 64 H VAL 64 -23.231 14.666 1.454 501 HA VAL 64 HA VAL 64 -22.854 17.418 0.430 502 HB VAL 64 HB VAL 64 -25.204 16.949 0.386 503 HG11 VAL 64 HG11 VAL 64 -26.548 16.255 2.341 504 HG12 VAL 64 HG12 VAL 64 -25.066 16.066 3.283 505 HG13 VAL 64 HG13 VAL 64 -25.356 15.034 1.883 506 HG21 VAL 64 HG21 VAL 64 -24.640 18.663 2.834 507 HG22 VAL 64 HG22 VAL 64 -26.114 18.703 1.863 508 HG23 VAL 64 HG23 VAL 64 -24.577 19.208 1.157 509 H LEU 65 H LEU 65 -21.099 18.094 1.394 510 HA LEU 65 HA LEU 65 -20.982 18.253 4.363 511 HB2 LEU 65 HB2 LEU 65 -18.676 17.889 2.395 512 HB3 LEU 65 HB3 LEU 65 -18.461 18.247 4.104 513 HG LEU 65 HG LEU 65 -19.815 15.719 3.077 514 HD11 LEU 65 HD11 LEU 65 -17.733 14.541 3.572 515 HD12 LEU 65 HD12 LEU 65 -16.933 16.070 3.952 516 HD13 LEU 65 HD13 LEU 65 -17.504 15.746 2.311 517 HD21 LEU 65 HD21 LEU 65 -19.439 14.875 5.361 518 HD22 LEU 65 HD22 LEU 65 -20.457 16.311 5.362 519 HD23 LEU 65 HD23 LEU 65 -18.759 16.436 5.834 520 H THR 66 H THR 66 -19.570 20.208 5.002 521 HA THR 66 HA THR 66 -20.351 22.566 3.533 522 HB THR 66 HB THR 66 -18.982 23.827 5.187 523 HG1 THR 66 HG1 THR 66 -17.816 22.715 6.766 524 HG21 THR 66 HG21 THR 66 -21.302 23.201 5.848 525 HG22 THR 66 HG22 THR 66 -20.213 23.265 7.234 526 HG23 THR 66 HG23 THR 66 -20.682 21.705 6.559 527 H ALA 67 H ALA 67 -18.858 24.074 2.561 528 HA ALA 67 HA ALA 67 -16.892 23.101 0.854 529 HB1 ALA 67 HB1 ALA 67 -16.193 25.449 0.564 530 HB2 ALA 67 HB2 ALA 67 -17.101 25.907 2.009 531 HB3 ALA 67 HB3 ALA 67 -17.953 25.309 0.584 532 H ASP 68 H ASP 68 -16.573 24.509 4.088 533 HA ASP 68 HA ASP 68 -13.810 24.465 4.463 534 HB2 ASP 68 HB2 ASP 68 -15.339 25.598 6.020 535 HB3 ASP 68 HB3 ASP 68 -16.009 24.051 6.534 536 H GLN 69 H GLN 69 -16.147 21.829 5.214 537 HA GLN 69 HA GLN 69 -14.268 19.968 6.264 538 HB2 GLN 69 HB2 GLN 69 -17.024 19.601 5.036 539 HB3 GLN 69 HB3 GLN 69 -16.072 18.221 5.588 540 HG2 GLN 69 HG2 GLN 69 -16.040 19.079 7.853 541 HG3 GLN 69 HG3 GLN 69 -16.851 20.556 7.353 542 HE21 GLN 69 HE21 GLN 69 -19.067 20.510 6.951 543 HE22 GLN 69 HE22 GLN 69 -20.071 19.188 7.421 544 H LYS 70 H LYS 70 -15.778 20.162 3.069 545 HA LYS 70 HA LYS 70 -14.332 18.190 1.727 546 HB2 LYS 70 HB2 LYS 70 -15.861 20.632 0.804 547 HB3 LYS 70 HB3 LYS 70 -15.002 19.631 -0.367 548 HG2 LYS 70 HG2 LYS 70 -16.300 17.684 0.240 549 HG3 LYS 70 HG3 LYS 70 -17.082 18.556 1.561 550 HD2 LYS 70 HD2 LYS 70 -18.436 19.814 0.112 551 HD3 LYS 70 HD3 LYS 70 -17.365 19.580 -1.273 552 HE2 LYS 70 HE2 LYS 70 -19.007 17.350 -0.017 553 HE3 LYS 70 HE3 LYS 70 -19.541 18.304 -1.399 554 HZ1 LYS 70 HZ1 LYS 70 -17.723 17.498 -2.686 555 HZ2 LYS 70 HZ2 LYS 70 -18.486 16.158 -1.983 556 HZ3 LYS 70 HZ3 LYS 70 -17.022 16.735 -1.356 557 H ALA 71 H ALA 71 -13.245 21.288 2.747 558 HA ALA 71 HA ALA 71 -11.217 21.636 0.641 559 HB1 ALA 71 HB1 ALA 71 -10.690 23.768 1.789 560 HB2 ALA 71 HB2 ALA 71 -11.871 23.389 3.048 561 HB3 ALA 71 HB3 ALA 71 -12.407 23.668 1.390 562 H THR 72 H THR 72 -11.528 21.241 4.129 563 HA THR 72 HA THR 72 -8.885 20.814 4.896 564 HB THR 72 HB THR 72 -11.261 19.340 6.131 565 HG1 THR 72 HG1 THR 72 -11.914 21.243 6.759 566 HG21 THR 72 HG21 THR 72 -9.930 19.441 8.200 567 HG22 THR 72 HG22 THR 72 -8.623 20.250 7.334 568 HG23 THR 72 HG23 THR 72 -9.044 18.582 6.937 569 H TRP 73 H TRP 73 -11.232 18.460 3.656 570 HA TRP 73 HA TRP 73 -9.452 16.210 3.674 571 HB2 TRP 73 HB2 TRP 73 -12.146 16.716 2.373 572 HB3 TRP 73 HB3 TRP 73 -11.262 15.216 2.117 573 HD1 TRP 73 HD1 TRP 73 -13.632 16.817 4.560 574 HE1 TRP 73 HE1 TRP 73 -13.981 15.253 6.564 575 HE3 TRP 73 HE3 TRP 73 -9.855 13.468 3.671 576 HZ2 TRP 73 HZ2 TRP 73 -12.819 12.928 7.646 577 HZ3 TRP 73 HZ3 TRP 73 -9.546 11.601 5.246 578 HH2 TRP 73 HH2 TRP 73 -11.001 11.336 7.198 579 H ALA 74 H ALA 74 -10.347 18.677 1.285 580 HA ALA 74 HA ALA 74 -8.846 17.616 -0.915 581 HB1 ALA 74 HB1 ALA 74 -9.699 20.486 -0.396 582 HB2 ALA 74 HB2 ALA 74 -10.653 19.270 -1.245 583 HB3 ALA 74 HB3 ALA 74 -9.131 19.837 -1.936 584 H LYS 75 H LYS 75 -7.991 19.379 1.949 585 HA LYS 75 HA LYS 75 -5.419 20.352 1.010 586 HB2 LYS 75 HB2 LYS 75 -6.565 21.663 2.741 587 HB3 LYS 75 HB3 LYS 75 -6.667 20.256 3.794 588 HG2 LYS 75 HG2 LYS 75 -4.208 20.235 4.023 589 HG3 LYS 75 HG3 LYS 75 -4.093 21.632 2.952 590 HD2 LYS 75 HD2 LYS 75 -5.493 21.601 5.655 591 HD3 LYS 75 HD3 LYS 75 -3.868 22.222 5.359 592 HE2 LYS 75 HE2 LYS 75 -6.443 23.322 4.180 593 HE3 LYS 75 HE3 LYS 75 -5.479 24.060 5.455 594 HZ1 LYS 75 HZ1 LYS 75 -3.656 24.304 3.878 595 HZ2 LYS 75 HZ2 LYS 75 -5.046 25.090 3.322 596 HZ3 LYS 75 HZ3 LYS 75 -4.588 23.606 2.656 597 H TYR 76 H TYR 76 -6.757 17.708 2.923 598 HA TYR 76 HA TYR 76 -4.466 16.532 3.980 599 HB2 TYR 76 HB2 TYR 76 -6.631 15.770 4.725 600 HB3 TYR 76 HB3 TYR 76 -7.129 15.354 3.089 601 HD1 TYR 76 HD2 TYR 76 -4.408 14.442 5.526 602 HD2 TYR 76 HD1 TYR 76 -7.148 13.049 2.567 603 HE1 TYR 76 HE2 TYR 76 -3.681 12.136 5.923 604 HE2 TYR 76 HE1 TYR 76 -6.407 10.734 2.962 605 HH TYR 76 HH TYR 76 -4.754 9.783 5.637 606 H ARG 77 H ARG 77 -6.178 15.780 0.975 607 HA ARG 77 HA ARG 77 -4.318 13.844 0.056 608 HB2 ARG 77 HB2 ARG 77 -5.671 13.913 -2.049 609 HB3 ARG 77 HB3 ARG 77 -6.634 13.689 -0.590 610 HG2 ARG 77 HG2 ARG 77 -7.247 16.106 -0.669 611 HG3 ARG 77 HG3 ARG 77 -6.335 16.256 -2.174 612 HD2 ARG 77 HD2 ARG 77 -8.779 14.507 -1.721 613 HD3 ARG 77 HD3 ARG 77 -8.717 16.014 -2.636 614 HE ARG 77 HE ARG 77 -7.260 14.901 -4.237 615 HH11 ARG 77 HH11 ARG 77 -9.152 12.808 -2.158 616 HH12 ARG 77 HH12 ARG 77 -9.007 11.432 -3.200 617 HH21 ARG 77 HH21 ARG 77 -7.020 13.111 -5.567 618 HH22 ARG 77 HH22 ARG 77 -7.797 11.616 -5.163 619 H GLN 78 H GLN 78 -4.838 17.282 -0.880 620 HA GLN 78 HA GLN 78 -2.978 17.340 -2.997 621 HB2 GLN 78 HB2 GLN 78 -4.864 18.957 -2.649 622 HB3 GLN 78 HB3 GLN 78 -3.988 19.663 -1.301 623 HG2 GLN 78 HG2 GLN 78 -3.764 21.041 -3.298 624 HG3 GLN 78 HG3 GLN 78 -2.200 20.390 -2.812 625 HE21 GLN 78 HE21 GLN 78 -4.632 18.486 -4.543 626 HE22 GLN 78 HE22 GLN 78 -3.749 18.379 -6.017 627 H ALA 79 H ALA 79 -2.670 18.398 0.398 628 HA ALA 79 HA ALA 79 -0.008 19.329 0.285 629 HB1 ALA 79 HB1 ALA 79 -0.013 19.215 2.731 630 HB2 ALA 79 HB2 ALA 79 -1.478 18.223 2.703 631 HB3 ALA 79 HB3 ALA 79 -1.531 19.895 2.139 632 H LEU 80 H LEU 80 -1.360 16.113 1.077 633 HA LEU 80 HA LEU 80 0.884 14.667 1.680 634 HB2 LEU 80 HB2 LEU 80 -1.627 14.115 1.687 635 HB3 LEU 80 HB3 LEU 80 -1.462 13.723 -0.008 636 HG LEU 80 HG LEU 80 0.125 12.276 2.139 637 HD11 LEU 80 HD11 LEU 80 -2.228 12.060 2.742 638 HD12 LEU 80 HD12 LEU 80 -1.607 10.524 2.140 639 HD13 LEU 80 HD13 LEU 80 -2.635 11.523 1.102 640 HD21 LEU 80 HD21 LEU 80 0.937 11.963 -0.146 641 HD22 LEU 80 HD22 LEU 80 -0.675 11.462 -0.672 642 HD23 LEU 80 HD23 LEU 80 0.234 10.470 0.475 643 H ARG 81 H ARG 81 -0.400 15.512 -1.547 644 HA ARG 81 HA ARG 81 1.580 14.083 -3.071 645 HB2 ARG 81 HB2 ARG 81 -0.269 16.343 -3.927 646 HB3 ARG 81 HB3 ARG 81 0.667 15.320 -5.019 647 HG2 ARG 81 HG2 ARG 81 -0.624 13.354 -4.278 648 HG3 ARG 81 HG3 ARG 81 -1.566 14.381 -3.191 649 HD2 ARG 81 HD2 ARG 81 -2.831 13.979 -5.221 650 HD3 ARG 81 HD3 ARG 81 -2.362 15.681 -5.165 651 HE ARG 81 HE ARG 81 -0.373 14.515 -6.608 652 HH11 ARG 81 HH11 ARG 81 -3.866 14.597 -7.004 653 HH12 ARG 81 HH12 ARG 81 -3.794 14.403 -8.724 654 HH21 ARG 81 HH21 ARG 81 -0.281 14.243 -8.839 655 HH22 ARG 81 HH22 ARG 81 -1.743 14.203 -9.775 656 H ASP 82 H ASP 82 1.365 17.283 -1.689 657 HA ASP 82 HA ASP 82 3.300 18.677 -3.209 658 HB2 ASP 82 HB2 ASP 82 1.619 19.738 -1.663 659 HB3 ASP 82 HB3 ASP 82 2.518 19.112 -0.287 660 H LEU 83 H LEU 83 3.564 16.476 -0.451 661 HA LEU 83 HA LEU 83 6.411 16.712 -0.094 662 HB2 LEU 83 HB2 LEU 83 5.021 15.842 1.723 663 HB3 LEU 83 HB3 LEU 83 4.461 14.521 0.714 664 HG LEU 83 HG LEU 83 6.784 13.585 0.678 665 HD11 LEU 83 HD11 LEU 83 8.089 15.617 1.038 666 HD12 LEU 83 HD12 LEU 83 8.496 14.387 2.229 667 HD13 LEU 83 HD13 LEU 83 7.469 15.750 2.685 668 HD21 LEU 83 HD21 LEU 83 6.777 12.715 2.963 669 HD22 LEU 83 HD22 LEU 83 5.154 12.746 2.286 670 HD23 LEU 83 HD23 LEU 83 5.640 13.974 3.456 671 HA PRO 84 HA PRO 84 7.236 14.325 -3.911 672 HB2 PRO 84 HB2 PRO 84 9.971 14.500 -3.851 673 HB3 PRO 84 HB3 PRO 84 8.933 15.836 -4.378 674 HG2 PRO 84 HG2 PRO 84 10.214 15.372 -1.683 675 HG3 PRO 84 HG3 PRO 84 10.146 16.871 -2.635 676 HD2 PRO 84 HD2 PRO 84 8.458 16.404 -0.564 677 HD3 PRO 84 HD3 PRO 84 7.946 17.326 -1.995 678 H GLU 85 H GLU 85 6.452 12.357 -3.122 679 HA GLU 85 HA GLU 85 8.326 10.470 -1.890 680 HB2 GLU 85 HB2 GLU 85 6.355 8.840 -2.221 681 HB3 GLU 85 HB3 GLU 85 6.109 10.160 -1.096 682 HG2 GLU 85 HG2 GLU 85 4.084 9.973 -2.298 683 HG3 GLU 85 HG3 GLU 85 4.890 11.397 -2.945 684 H THR 86 H THR 86 7.725 11.727 -4.891 685 HA THR 86 HA THR 86 8.248 9.458 -6.577 686 HB THR 86 HB THR 86 6.808 11.279 -7.360 687 HG1 THR 86 HG1 THR 86 9.187 11.309 -8.928 688 HG21 THR 86 HG21 THR 86 9.262 13.077 -7.292 689 HG22 THR 86 HG22 THR 86 7.869 13.196 -6.213 690 HG23 THR 86 HG23 THR 86 7.673 13.504 -7.938 691 H VAL 87 H VAL 87 10.264 11.151 -4.553 692 HA VAL 87 HA VAL 87 12.648 10.866 -6.295 693 HB VAL 87 HB VAL 87 13.836 12.377 -4.731 694 HG11 VAL 87 HG11 VAL 87 12.692 14.486 -5.336 695 HG12 VAL 87 HG12 VAL 87 11.241 13.584 -5.777 696 HG13 VAL 87 HG13 VAL 87 12.732 13.362 -6.696 697 HG21 VAL 87 HG21 VAL 87 12.643 11.888 -2.644 698 HG22 VAL 87 HG22 VAL 87 11.172 12.631 -3.274 699 HG23 VAL 87 HG23 VAL 87 12.596 13.624 -2.963 700 H THR 88 H THR 88 14.413 9.714 -5.583 701 HA THR 88 HA THR 88 14.158 7.886 -3.311 702 HB THR 88 HB THR 88 16.390 8.167 -5.390 703 HG1 THR 88 HG1 THR 88 14.338 6.192 -5.228 704 HG21 THR 88 HG21 THR 88 15.863 5.886 -3.432 705 HG22 THR 88 HG22 THR 88 17.208 7.028 -3.335 706 HG23 THR 88 HG23 THR 88 17.099 5.899 -4.688 707 H ASP 89 H ASP 89 15.490 10.956 -4.072 708 HA ASP 89 HA ASP 89 17.818 11.181 -2.572 709 HB2 ASP 89 HB2 ASP 89 17.124 12.898 -4.175 710 HB3 ASP 89 HB3 ASP 89 15.708 13.294 -3.204 711 H LEU 90 H LEU 90 14.661 12.533 -1.449 712 HA LEU 90 HA LEU 90 15.219 11.435 1.246 713 HB2 LEU 90 HB2 LEU 90 13.781 14.034 0.570 714 HB3 LEU 90 HB3 LEU 90 13.815 13.310 2.172 715 HG LEU 90 HG LEU 90 16.192 14.461 0.647 716 HD11 LEU 90 HD11 LEU 90 14.727 16.168 1.613 717 HD12 LEU 90 HD12 LEU 90 16.274 16.124 2.452 718 HD13 LEU 90 HD13 LEU 90 14.847 15.404 3.203 719 HD21 LEU 90 HD21 LEU 90 16.943 12.494 1.888 720 HD22 LEU 90 HD22 LEU 90 16.192 13.097 3.366 721 HD23 LEU 90 HD23 LEU 90 17.559 13.959 2.650 722 H SER 91 H SER 91 14.159 9.566 0.902 723 HA SER 91 HA SER 91 11.404 9.427 -0.059 724 HB2 SER 91 HB2 SER 91 13.334 7.250 0.877 725 HB3 SER 91 HB3 SER 91 11.783 6.968 0.090 726 HG SER 91 HG SER 91 12.792 8.378 -1.647 727 H GLN 92 H GLN 92 12.191 10.708 2.579 728 HA GLN 92 HA GLN 92 11.005 9.054 4.651 729 HB2 GLN 92 HB2 GLN 92 11.460 11.147 6.084 730 HB3 GLN 92 HB3 GLN 92 12.865 10.329 5.414 731 HG2 GLN 92 HG2 GLN 92 12.917 12.041 3.580 732 HG3 GLN 92 HG3 GLN 92 11.600 12.887 4.384 733 HE21 GLN 92 HE21 GLN 92 14.302 11.346 6.080 734 HE22 GLN 92 HE22 GLN 92 15.011 12.815 6.640 735 H ILE 93 H ILE 93 8.858 8.771 4.193 736 HA ILE 93 HA ILE 93 7.161 10.976 3.372 737 HB ILE 93 HB ILE 93 5.311 9.316 3.274 738 HG12 ILE 93 HG12 ILE 93 7.366 7.160 3.977 739 HG13 ILE 93 HG13 ILE 93 6.165 7.759 5.107 740 HG21 ILE 93 HG21 ILE 93 6.181 8.067 1.325 741 HG22 ILE 93 HG22 ILE 93 7.832 8.484 1.792 742 HG23 ILE 93 HG23 ILE 93 6.703 9.753 1.308 743 HD11 ILE 93 HD11 ILE 93 5.576 6.338 2.517 744 HD12 ILE 93 HD12 ILE 93 4.375 6.922 3.671 745 HD13 ILE 93 HD13 ILE 93 5.497 5.642 4.134 746 H VAL 94 H VAL 94 7.084 12.425 5.072 747 HA VAL 94 HA VAL 94 5.276 11.621 7.252 748 HB VAL 94 HB VAL 94 7.416 12.104 8.266 749 HG11 VAL 94 HG11 VAL 94 7.439 14.791 6.853 750 HG12 VAL 94 HG12 VAL 94 8.491 13.419 6.498 751 HG13 VAL 94 HG13 VAL 94 8.617 14.248 8.051 752 HG21 VAL 94 HG21 VAL 94 5.446 12.868 9.507 753 HG22 VAL 94 HG22 VAL 94 5.525 14.446 8.719 754 HG23 VAL 94 HG23 VAL 94 6.815 13.939 9.815 755 H TRP 95 H TRP 95 3.526 12.019 6.061 756 HA TRP 95 HA TRP 95 2.955 14.771 5.124 757 HB2 TRP 95 HB2 TRP 95 1.383 13.606 3.469 758 HB3 TRP 95 HB3 TRP 95 3.101 13.420 3.176 759 HD1 TRP 95 HD1 TRP 95 0.935 11.168 5.537 760 HE1 TRP 95 HE1 TRP 95 1.087 8.766 4.630 761 HE3 TRP 95 HE3 TRP 95 3.612 12.050 1.255 762 HZ2 TRP 95 HZ2 TRP 95 2.147 7.455 2.428 763 HZ3 TRP 95 HZ3 TRP 95 4.124 10.142 -0.222 764 HH2 TRP 95 HH2 TRP 95 3.395 7.871 0.364 765 HA PRO 96 HA PRO 96 -0.476 15.271 7.840 766 HB2 PRO 96 HB2 PRO 96 -2.794 15.556 6.256 767 HB3 PRO 96 HB3 PRO 96 -1.651 16.842 6.630 768 HG2 PRO 96 HG2 PRO 96 -1.805 15.100 4.189 769 HG3 PRO 96 HG3 PRO 96 -1.501 16.848 4.298 770 HD2 PRO 96 HD2 PRO 96 0.515 15.149 3.872 771 HD3 PRO 96 HD3 PRO 96 0.747 16.541 4.963 772 H GLN 97 H GLN 97 -1.666 14.000 9.080 773 HA GLN 97 HA GLN 97 -2.871 11.494 8.122 774 HB2 GLN 97 HB2 GLN 97 -1.723 11.539 10.360 775 HB3 GLN 97 HB3 GLN 97 -2.894 12.721 10.930 776 HG2 GLN 97 HG2 GLN 97 -3.441 10.479 11.746 777 HG3 GLN 97 HG3 GLN 97 -4.704 11.078 10.666 778 HE21 GLN 97 HE21 GLN 97 -2.138 8.749 11.062 779 HE22 GLN 97 HE22 GLN 97 -2.566 7.751 9.721 780 H LEU 98 H LEU 98 -5.171 11.136 8.288 781 HA LEU 98 HA LEU 98 -6.650 13.233 7.169 782 HB2 LEU 98 HB2 LEU 98 -8.649 11.638 7.492 783 HB3 LEU 98 HB3 LEU 98 -7.316 11.127 6.478 784 HG LEU 98 HG LEU 98 -6.480 9.828 8.563 785 HD11 LEU 98 HD11 LEU 98 -9.355 10.185 9.435 786 HD12 LEU 98 HD12 LEU 98 -7.918 10.782 10.269 787 HD13 LEU 98 HD13 LEU 98 -8.193 9.050 10.132 788 HD21 LEU 98 HD21 LEU 98 -7.316 8.743 6.539 789 HD22 LEU 98 HD22 LEU 98 -8.974 8.889 7.129 790 HD23 LEU 98 HD23 LEU 98 -7.817 7.862 7.981 791 HA PRO 99 HA PRO 99 -7.619 15.888 10.433 792 HB2 PRO 99 HB2 PRO 99 -10.116 16.877 9.669 793 HB3 PRO 99 HB3 PRO 99 -8.574 17.373 8.967 794 HG2 PRO 99 HG2 PRO 99 -10.535 15.308 7.952 795 HG3 PRO 99 HG3 PRO 99 -9.698 16.598 7.055 796 HD2 PRO 99 HD2 PRO 99 -8.792 14.084 6.944 797 HD3 PRO 99 HD3 PRO 99 -7.642 15.437 7.061 798 H VAL 100 H VAL 100 -10.256 13.598 9.753 799 HA VAL 100 HA VAL 100 -11.567 14.136 12.321 800 HB VAL 100 HB VAL 100 -12.409 12.290 10.032 801 HG11 VAL 100 HG11 VAL 100 -13.388 11.545 12.168 802 HG12 VAL 100 HG12 VAL 100 -14.638 12.235 11.130 803 HG13 VAL 100 HG13 VAL 100 -13.996 13.175 12.479 804 HG21 VAL 100 HG21 VAL 100 -12.373 14.681 9.364 805 HG22 VAL 100 HG22 VAL 100 -13.411 15.088 10.733 806 HG23 VAL 100 HG23 VAL 100 -14.030 14.068 9.430
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