NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
624340 | 5uke | 30237 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 HT1 SER 1 -9.165 19.197 -14.137 2 H2 SER 1 HT2 SER 1 -7.986 20.399 -14.303 3 H3 SER 1 HT3 SER 1 -9.450 20.754 -13.534 4 HA SER 1 HA SER 1 -7.762 20.512 -11.880 5 HB2 SER 1 HB2 SER 1 -8.936 17.949 -11.293 6 HB3 SER 1 HB3 SER 1 -9.280 19.516 -10.559 7 HG SER 1 HG SER 1 -10.370 19.457 -12.985 8 H GLU 2 H GLU 2 -7.274 18.678 -14.543 9 HA GLU 2 HA GLU 2 -5.689 16.549 -13.476 10 HB2 GLU 2 HB2 GLU 2 -5.936 17.703 -16.258 11 HB3 GLU 2 HB3 GLU 2 -4.916 16.323 -15.874 12 HG2 GLU 2 HG2 GLU 2 -6.816 15.021 -15.215 13 HG3 GLU 2 HG3 GLU 2 -7.882 16.415 -15.383 14 H PHE 3 H PHE 3 -3.532 16.418 -13.155 15 HA PHE 3 HA PHE 3 -1.413 17.071 -12.698 16 HB2 PHE 3 HB2 PHE 3 -1.847 18.819 -15.127 17 HB3 PHE 3 HB3 PHE 3 -0.286 18.546 -14.361 18 HD1 PHE 3 HD1 PHE 3 -2.831 17.191 -16.558 19 HD2 PHE 3 HD2 PHE 3 0.754 16.311 -14.439 20 HE1 PHE 3 HE1 PHE 3 -2.511 15.182 -17.941 21 HE2 PHE 3 HE2 PHE 3 1.082 14.303 -15.820 22 HZ PHE 3 HZ PHE 3 -0.552 13.736 -17.575 23 H GLY 4 H GLY 4 -3.545 18.437 -11.329 24 HA2 GLY 4 HA2 GLY 4 -2.699 21.204 -11.082 25 HA3 GLY 4 HA3 GLY 4 -4.014 20.431 -10.205 26 H SER 5 H SER 5 -2.746 21.925 -8.582 27 HA SER 5 HA SER 5 -0.731 20.242 -7.245 28 HB2 SER 5 HB2 SER 5 -0.999 23.260 -7.201 29 HB3 SER 5 HB3 SER 5 0.179 22.333 -6.271 30 HG SER 5 HG SER 5 0.222 21.674 -8.905 31 H MET 6 H MET 6 -0.977 19.806 -5.098 32 HA MET 6 HA MET 6 -2.924 21.169 -3.482 33 HB2 MET 6 HB2 MET 6 -4.279 19.163 -2.998 34 HB3 MET 6 HB3 MET 6 -4.403 19.657 -4.681 35 HG2 MET 6 HG2 MET 6 -2.695 17.909 -5.224 36 HG3 MET 6 HG3 MET 6 -2.831 17.352 -3.556 37 HE1 MET 6 HE1 MET 6 -6.185 18.016 -6.332 38 HE2 MET 6 HE2 MET 6 -5.245 16.772 -7.157 39 HE3 MET 6 HE3 MET 6 -4.477 18.287 -6.682 40 H ALA 7 H ALA 7 -2.972 20.233 -1.227 41 HA ALA 7 HA ALA 7 -0.435 18.877 -0.602 42 HB1 ALA 7 HB1 ALA 7 0.082 20.358 1.123 43 HB2 ALA 7 HB2 ALA 7 -1.554 21.015 1.177 44 HB3 ALA 7 HB3 ALA 7 -0.490 21.409 -0.174 45 H GLY 8 H GLY 8 -0.444 17.454 1.108 46 HA2 GLY 8 HA2 GLY 8 -2.043 17.041 3.204 47 HA3 GLY 8 HA3 GLY 8 -3.067 16.471 1.893 48 H ASN 9 H ASN 9 0.384 16.161 2.707 49 HA ASN 9 HA ASN 9 0.223 13.313 2.038 50 HB2 ASN 9 HB2 ASN 9 1.936 14.743 0.905 51 HB3 ASN 9 HB3 ASN 9 2.692 15.003 2.474 52 HD21 ASN 9 HD21 ASN 9 4.607 14.037 1.861 53 HD22 ASN 9 HD22 ASN 9 4.754 12.333 1.616 54 H CYS 10 H CYS 10 -0.077 11.956 3.678 55 HA CYS 10 HA CYS 10 1.532 12.235 6.084 56 HB2 CYS 10 HB2 CYS 10 -0.381 12.040 7.602 57 HB3 CYS 10 HB3 CYS 10 -0.516 13.495 6.619 58 HG CYS 10 HG CYS 10 -2.072 10.960 5.168 59 H GLY 11 H GLY 11 1.381 10.283 7.474 60 HA2 GLY 11 HA2 GLY 11 0.074 7.925 6.736 61 HA3 GLY 11 HA3 GLY 11 1.649 7.925 5.953 62 H ALA 12 H ALA 12 1.471 5.903 7.556 63 HA ALA 12 HA ALA 12 3.144 6.637 9.823 64 HB1 ALA 12 HB1 ALA 12 1.330 4.707 10.834 65 HB2 ALA 12 HB2 ALA 12 0.387 6.028 10.143 66 HB3 ALA 12 HB3 ALA 12 1.592 6.361 11.384 67 H ARG 13 H ARG 13 4.512 5.019 10.512 68 HA ARG 13 HA ARG 13 4.281 2.305 9.585 69 HB2 ARG 13 HB2 ARG 13 5.298 3.613 7.639 70 HB3 ARG 13 HB3 ARG 13 6.697 3.874 8.671 71 HG2 ARG 13 HG2 ARG 13 6.724 1.295 8.893 72 HG3 ARG 13 HG3 ARG 13 5.693 1.330 7.462 73 HD2 ARG 13 HD2 ARG 13 7.956 1.097 6.727 74 HD3 ARG 13 HD3 ARG 13 7.422 2.732 6.334 75 HE ARG 13 HE ARG 13 8.737 2.597 8.867 76 HH11 ARG 13 HH11 ARG 13 10.775 3.587 9.079 77 HH12 ARG 13 HH12 ARG 13 11.684 3.988 7.660 78 HH21 ARG 13 HH21 ARG 13 9.278 2.765 5.431 79 HH22 ARG 13 HH22 ARG 13 10.830 3.517 5.579 80 H GLY 14 H GLY 14 5.658 0.904 10.791 81 HA2 GLY 14 HA2 GLY 14 7.798 1.840 12.390 82 HA3 GLY 14 HA3 GLY 14 6.337 1.743 13.361 83 H ALA 15 H ALA 15 8.029 0.218 14.413 84 HA ALA 15 HA ALA 15 8.584 -2.304 13.306 85 HB1 ALA 15 HB1 ALA 15 8.334 -1.531 16.214 86 HB2 ALA 15 HB2 ALA 15 9.794 -1.426 15.231 87 HB3 ALA 15 HB3 ALA 15 9.092 -3.001 15.599 88 H LEU 16 H LEU 16 5.881 -1.148 15.254 89 HA LEU 16 HA LEU 16 4.615 -3.774 15.160 90 HB2 LEU 16 HB2 LEU 16 2.832 -2.622 16.534 91 HB3 LEU 16 HB3 LEU 16 4.409 -2.752 17.285 92 HG LEU 16 HG LEU 16 4.251 -0.254 15.889 93 HD11 LEU 16 HD11 LEU 16 1.995 -0.791 17.816 94 HD12 LEU 16 HD12 LEU 16 1.846 -0.427 16.096 95 HD13 LEU 16 HD13 LEU 16 2.461 0.797 17.209 96 HD21 LEU 16 HD21 LEU 16 4.861 0.644 18.016 97 HD22 LEU 16 HD22 LEU 16 5.706 -0.892 17.821 98 HD23 LEU 16 HD23 LEU 16 4.279 -0.795 18.852 99 H SER 17 H SER 17 2.775 -4.215 13.971 100 HA SER 17 HA SER 17 2.278 -2.400 11.771 101 HB2 SER 17 HB2 SER 17 0.666 -4.335 11.136 102 HB3 SER 17 HB3 SER 17 2.408 -4.628 11.079 103 HG SER 17 HG SER 17 0.536 -5.859 12.563 104 H ALA 18 H ALA 18 0.973 -0.736 12.136 105 HA ALA 18 HA ALA 18 -1.313 -0.970 13.925 106 HB1 ALA 18 HB1 ALA 18 -1.522 1.419 13.708 107 HB2 ALA 18 HB2 ALA 18 -0.364 1.439 12.378 108 HB3 ALA 18 HB3 ALA 18 0.170 1.020 14.005 109 H HIS 19 H HIS 19 -0.660 -1.500 10.730 110 HA HIS 19 HA HIS 19 -3.339 -0.764 9.800 111 HB2 HIS 19 HB2 HIS 19 -0.836 -1.477 8.264 112 HB3 HIS 19 HB3 HIS 19 -2.401 -1.195 7.515 113 HD2 HIS 19 HD2 HIS 19 -3.089 1.428 7.157 114 HE1 HIS 19 HE1 HIS 19 0.341 3.129 8.919 115 H THR 20 H THR 20 -2.562 -3.199 11.457 116 HA THR 20 HA THR 20 -2.799 -5.443 9.691 117 HB THR 20 HB THR 20 -3.260 -5.419 12.678 118 HG1 THR 20 HG1 THR 20 -1.216 -4.794 12.672 119 HG21 THR 20 HG21 THR 20 -2.839 -7.723 12.636 120 HG22 THR 20 HG22 THR 20 -2.126 -7.657 11.024 121 HG23 THR 20 HG23 THR 20 -3.867 -7.459 11.227 122 H LEU 21 H LEU 21 -4.603 -5.918 8.646 123 HA LEU 21 HA LEU 21 -7.040 -6.456 10.052 124 HB2 LEU 21 HB2 LEU 21 -6.851 -4.103 8.210 125 HB3 LEU 21 HB3 LEU 21 -8.340 -5.029 8.274 126 HG LEU 21 HG LEU 21 -7.053 -3.780 10.704 127 HD11 LEU 21 HD11 LEU 21 -8.713 -2.020 10.540 128 HD12 LEU 21 HD12 LEU 21 -9.335 -2.718 9.043 129 HD13 LEU 21 HD13 LEU 21 -7.704 -2.046 9.093 130 HD21 LEU 21 HD21 LEU 21 -9.501 -5.366 10.189 131 HD22 LEU 21 HD22 LEU 21 -9.630 -4.026 11.326 132 HD23 LEU 21 HD23 LEU 21 -8.458 -5.312 11.608 133 H LEU 22 H LEU 22 -8.675 -7.462 8.561 134 HA LEU 22 HA LEU 22 -7.431 -9.455 7.011 135 HB2 LEU 22 HB2 LEU 22 -9.544 -9.806 8.152 136 HB3 LEU 22 HB3 LEU 22 -10.326 -8.620 7.127 137 HG LEU 22 HG LEU 22 -9.909 -10.090 5.168 138 HD11 LEU 22 HD11 LEU 22 -8.028 -11.357 5.776 139 HD12 LEU 22 HD12 LEU 22 -9.370 -12.502 5.736 140 HD13 LEU 22 HD13 LEU 22 -8.776 -11.895 7.282 141 HD21 LEU 22 HD21 LEU 22 -11.577 -11.819 5.803 142 HD22 LEU 22 HD22 LEU 22 -12.059 -10.176 6.227 143 HD23 LEU 22 HD23 LEU 22 -11.452 -11.267 7.474 144 H PHE 23 H PHE 23 -9.404 -6.663 5.904 145 HA PHE 23 HA PHE 23 -8.905 -7.333 3.137 146 HB2 PHE 23 HB2 PHE 23 -10.306 -4.986 4.427 147 HB3 PHE 23 HB3 PHE 23 -10.146 -5.186 2.683 148 HD1 PHE 23 HD1 PHE 23 -11.909 -6.221 5.669 149 HD2 PHE 23 HD2 PHE 23 -11.263 -7.077 1.550 150 HE1 PHE 23 HE1 PHE 23 -13.939 -7.610 5.645 151 HE2 PHE 23 HE2 PHE 23 -13.293 -8.465 1.517 152 HZ PHE 23 HZ PHE 23 -14.634 -8.733 3.566 153 H ASP 24 H ASP 24 -7.743 -5.008 5.453 154 HA ASP 24 HA ASP 24 -5.797 -4.040 3.483 155 HB2 ASP 24 HB2 ASP 24 -5.514 -2.066 5.090 156 HB3 ASP 24 HB3 ASP 24 -6.978 -2.110 4.119 157 H LEU 25 H LEU 25 -4.720 -6.055 4.032 158 HA LEU 25 HA LEU 25 -3.703 -6.919 6.396 159 HB2 LEU 25 HB2 LEU 25 -2.313 -6.835 3.721 160 HB3 LEU 25 HB3 LEU 25 -1.782 -7.809 5.079 161 HG LEU 25 HG LEU 25 -4.453 -8.098 3.704 162 HD11 LEU 25 HD11 LEU 25 -2.588 -8.726 2.247 163 HD12 LEU 25 HD12 LEU 25 -3.560 -10.119 2.721 164 HD13 LEU 25 HD13 LEU 25 -1.999 -9.828 3.489 165 HD21 LEU 25 HD21 LEU 25 -3.145 -9.464 6.012 166 HD22 LEU 25 HD22 LEU 25 -4.243 -10.366 4.968 167 HD23 LEU 25 HD23 LEU 25 -4.815 -8.931 5.820 168 HA PRO 26 HA PRO 26 -0.802 -4.373 8.521 169 HB2 PRO 26 HB2 PRO 26 1.512 -6.000 7.997 170 HB3 PRO 26 HB3 PRO 26 0.555 -5.895 9.474 171 HG2 PRO 26 HG2 PRO 26 0.417 -7.863 7.279 172 HG3 PRO 26 HG3 PRO 26 -0.055 -8.035 8.980 173 HD2 PRO 26 HD2 PRO 26 -1.887 -7.878 7.040 174 HD3 PRO 26 HD3 PRO 26 -2.151 -7.102 8.614 175 HA PRO 27 HA PRO 27 1.420 -1.492 6.093 176 HB2 PRO 27 HB2 PRO 27 3.837 -2.042 7.750 177 HB3 PRO 27 HB3 PRO 27 3.075 -0.501 7.326 178 HG2 PRO 27 HG2 PRO 27 2.722 -1.564 9.724 179 HG3 PRO 27 HG3 PRO 27 1.391 -0.748 8.884 180 HD2 PRO 27 HD2 PRO 27 1.865 -3.666 9.297 181 HD3 PRO 27 HD3 PRO 27 0.339 -2.765 9.233 182 H ALA 28 H ALA 28 2.543 -4.707 6.212 183 HA ALA 28 HA ALA 28 4.904 -4.611 4.750 184 HB1 ALA 28 HB1 ALA 28 3.726 -6.904 3.846 185 HB2 ALA 28 HB2 ALA 28 2.868 -6.627 5.361 186 HB3 ALA 28 HB3 ALA 28 4.628 -6.755 5.354 187 H LEU 29 H LEU 29 1.527 -4.436 3.649 188 HA LEU 29 HA LEU 29 2.561 -4.116 0.912 189 HB2 LEU 29 HB2 LEU 29 0.597 -5.783 1.738 190 HB3 LEU 29 HB3 LEU 29 -0.349 -4.379 1.270 191 HG LEU 29 HG LEU 29 0.585 -4.440 -0.971 192 HD11 LEU 29 HD11 LEU 29 2.631 -5.286 -1.201 193 HD12 LEU 29 HD12 LEU 29 1.871 -6.877 -1.184 194 HD13 LEU 29 HD13 LEU 29 2.514 -6.191 0.308 195 HD21 LEU 29 HD21 LEU 29 -0.053 -7.159 -1.148 196 HD22 LEU 29 HD22 LEU 29 -1.127 -5.783 -1.395 197 HD23 LEU 29 HD23 LEU 29 -1.002 -6.530 0.198 198 H LEU 30 H LEU 30 -0.489 -2.911 2.346 199 HA LEU 30 HA LEU 30 -0.456 -0.549 0.840 200 HB2 LEU 30 HB2 LEU 30 -2.239 -1.806 2.605 201 HB3 LEU 30 HB3 LEU 30 -1.949 -0.217 3.288 202 HG LEU 30 HG LEU 30 -2.990 -0.814 0.517 203 HD11 LEU 30 HD11 LEU 30 -4.474 -1.039 2.619 204 HD12 LEU 30 HD12 LEU 30 -5.068 -0.101 1.248 205 HD13 LEU 30 HD13 LEU 30 -4.403 0.722 2.657 206 HD21 LEU 30 HD21 LEU 30 -3.223 1.928 1.337 207 HD22 LEU 30 HD22 LEU 30 -2.476 1.254 -0.111 208 HD23 LEU 30 HD23 LEU 30 -1.532 1.425 1.369 209 H GLY 31 H GLY 31 0.427 -0.987 4.287 210 HA2 GLY 31 HA2 GLY 31 0.845 1.728 4.843 211 HA3 GLY 31 HA3 GLY 31 1.585 0.399 5.713 212 H GLU 32 H GLU 32 3.316 -0.697 3.953 213 HA GLU 32 HA GLU 32 5.412 1.229 3.919 214 HB2 GLU 32 HB2 GLU 32 5.690 -1.202 4.383 215 HB3 GLU 32 HB3 GLU 32 5.405 -1.510 2.672 216 HG2 GLU 32 HG2 GLU 32 7.544 0.418 3.390 217 HG3 GLU 32 HG3 GLU 32 7.840 -1.293 3.672 218 H LEU 33 H LEU 33 3.514 -0.299 1.308 219 HA LEU 33 HA LEU 33 5.081 0.846 -0.750 220 HB2 LEU 33 HB2 LEU 33 2.265 -0.243 -0.831 221 HB3 LEU 33 HB3 LEU 33 3.158 0.298 -2.245 222 HG LEU 33 HG LEU 33 4.035 -1.942 -0.419 223 HD11 LEU 33 HD11 LEU 33 2.755 -2.058 -3.146 224 HD12 LEU 33 HD12 LEU 33 2.007 -2.538 -1.622 225 HD13 LEU 33 HD13 LEU 33 3.395 -3.430 -2.244 226 HD21 LEU 33 HD21 LEU 33 6.015 -1.456 -1.363 227 HD22 LEU 33 HD22 LEU 33 5.285 -0.528 -2.671 228 HD23 LEU 33 HD23 LEU 33 5.343 -2.288 -2.764 229 H CYS 34 H CYS 34 2.142 2.029 0.884 230 HA CYS 34 HA CYS 34 1.890 4.226 -0.936 231 HB2 CYS 34 HB2 CYS 34 0.114 5.026 0.431 232 HB3 CYS 34 HB3 CYS 34 -0.019 3.272 0.390 233 HG CYS 34 HG CYS 34 0.695 2.803 2.930 234 H ALA 35 H ALA 35 3.544 3.749 2.128 235 HA ALA 35 HA ALA 35 4.045 6.583 2.459 236 HB1 ALA 35 HB1 ALA 35 4.096 4.302 4.140 237 HB2 ALA 35 HB2 ALA 35 4.234 6.005 4.582 238 HB3 ALA 35 HB3 ALA 35 5.682 5.071 4.203 239 H VAL 36 H VAL 36 6.158 3.732 1.989 240 HA VAL 36 HA VAL 36 8.532 5.239 1.744 241 HB VAL 36 HB VAL 36 7.886 2.417 0.896 242 HG11 VAL 36 HG11 VAL 36 10.021 2.038 0.188 243 HG12 VAL 36 HG12 VAL 36 10.704 3.307 1.207 244 HG13 VAL 36 HG13 VAL 36 9.871 3.729 -0.290 245 HG21 VAL 36 HG21 VAL 36 7.828 2.780 3.282 246 HG22 VAL 36 HG22 VAL 36 9.402 3.574 3.233 247 HG23 VAL 36 HG23 VAL 36 9.270 1.854 2.864 248 H LEU 37 H LEU 37 6.383 3.882 -0.765 249 HA LEU 37 HA LEU 37 8.067 4.766 -2.893 250 HB2 LEU 37 HB2 LEU 37 5.150 4.003 -3.003 251 HB3 LEU 37 HB3 LEU 37 6.218 4.200 -4.386 252 HG LEU 37 HG LEU 37 6.429 2.068 -2.258 253 HD11 LEU 37 HD11 LEU 37 4.666 1.497 -3.675 254 HD12 LEU 37 HD12 LEU 37 6.055 0.614 -4.309 255 HD13 LEU 37 HD13 LEU 37 5.505 2.086 -5.109 256 HD21 LEU 37 HD21 LEU 37 8.645 2.404 -2.834 257 HD22 LEU 37 HD22 LEU 37 8.253 2.884 -4.484 258 HD23 LEU 37 HD23 LEU 37 8.143 1.190 -4.011 259 H ASP 38 H ASP 38 5.744 6.331 -0.930 260 HA ASP 38 HA ASP 38 4.803 8.311 -2.665 261 HB2 ASP 38 HB2 ASP 38 3.812 7.983 -0.462 262 HB3 ASP 38 HB3 ASP 38 5.319 8.452 0.320 263 H SER 39 H SER 39 7.765 8.091 -0.793 264 HA SER 39 HA SER 39 8.629 10.756 -1.518 265 HB2 SER 39 HB2 SER 39 10.653 10.227 -0.239 266 HB3 SER 39 HB3 SER 39 9.208 9.823 0.686 267 HG SER 39 HG SER 39 9.655 7.621 -0.448 268 H CYS 40 H CYS 40 8.382 8.068 -3.276 269 HA CYS 40 HA CYS 40 10.911 7.662 -4.428 270 HB2 CYS 40 HB2 CYS 40 9.118 6.046 -4.681 271 HB3 CYS 40 HB3 CYS 40 8.163 7.211 -5.599 272 HG CYS 40 HG CYS 40 9.107 5.352 -7.399 273 H ASP 41 H ASP 41 11.889 8.434 -6.211 274 HA ASP 41 HA ASP 41 10.673 10.695 -7.623 275 HB2 ASP 41 HB2 ASP 41 12.364 11.365 -5.769 276 HB3 ASP 41 HB3 ASP 41 13.588 10.744 -6.874 277 H GLY 42 H GLY 42 10.654 8.166 -8.572 278 HA2 GLY 42 HA2 GLY 42 10.997 7.377 -10.771 279 HA3 GLY 42 HA3 GLY 42 12.434 8.380 -10.883 280 H ALA 43 H ALA 43 13.015 7.130 -8.037 281 HA ALA 43 HA ALA 43 14.905 5.239 -8.928 282 HB1 ALA 43 HB1 ALA 43 15.066 6.512 -6.803 283 HB2 ALA 43 HB2 ALA 43 15.325 4.779 -6.604 284 HB3 ALA 43 HB3 ALA 43 13.784 5.498 -6.140 285 H LEU 44 H LEU 44 11.700 4.837 -7.489 286 HA LEU 44 HA LEU 44 11.785 1.982 -8.220 287 HB2 LEU 44 HB2 LEU 44 9.839 3.135 -6.236 288 HB3 LEU 44 HB3 LEU 44 10.336 1.469 -6.436 289 HG LEU 44 HG LEU 44 12.702 2.713 -5.739 290 HD11 LEU 44 HD11 LEU 44 12.345 4.202 -3.977 291 HD12 LEU 44 HD12 LEU 44 10.637 3.785 -3.845 292 HD13 LEU 44 HD13 LEU 44 11.210 4.734 -5.218 293 HD21 LEU 44 HD21 LEU 44 10.645 1.186 -4.178 294 HD22 LEU 44 HD22 LEU 44 12.170 1.699 -3.454 295 HD23 LEU 44 HD23 LEU 44 12.173 0.619 -4.848 296 H GLY 45 H GLY 45 10.186 5.000 -8.569 297 HA2 GLY 45 HA2 GLY 45 8.640 5.663 -10.155 298 HA3 GLY 45 HA3 GLY 45 8.535 3.994 -10.697 299 H TRP 46 H TRP 46 6.993 6.473 -8.921 300 HA TRP 46 HA TRP 46 5.437 5.094 -7.089 301 HB2 TRP 46 HB2 TRP 46 3.641 6.879 -7.636 302 HB3 TRP 46 HB3 TRP 46 5.202 7.407 -6.992 303 HD1 TRP 46 HD1 TRP 46 3.102 7.473 -10.200 304 HE1 TRP 46 HE1 TRP 46 4.075 9.258 -11.779 305 HE3 TRP 46 HE3 TRP 46 7.339 8.646 -7.591 306 HZ2 TRP 46 HZ2 TRP 46 6.337 10.940 -11.902 307 HZ3 TRP 46 HZ3 TRP 46 8.850 10.356 -8.505 308 HH2 TRP 46 HH2 TRP 46 8.360 11.478 -10.617 309 H ARG 47 H ARG 47 4.762 5.599 -10.543 310 HA ARG 47 HA ARG 47 2.426 3.904 -10.450 311 HB2 ARG 47 HB2 ARG 47 2.290 4.250 -12.878 312 HB3 ARG 47 HB3 ARG 47 2.377 5.766 -12.009 313 HG2 ARG 47 HG2 ARG 47 4.773 5.918 -12.570 314 HG3 ARG 47 HG3 ARG 47 4.631 4.409 -13.476 315 HD2 ARG 47 HD2 ARG 47 2.989 5.453 -14.956 316 HD3 ARG 47 HD3 ARG 47 3.122 6.959 -14.047 317 HE ARG 47 HE ARG 47 5.675 6.214 -14.928 318 HH11 ARG 47 HH11 ARG 47 6.626 7.227 -16.736 319 HH12 ARG 47 HH12 ARG 47 5.622 8.038 -17.887 320 HH21 ARG 47 HH21 ARG 47 2.633 7.315 -16.213 321 HH22 ARG 47 HH22 ARG 47 3.342 8.090 -17.591 322 H GLY 48 H GLY 48 5.586 3.108 -10.296 323 HA2 GLY 48 HA2 GLY 48 6.020 1.312 -12.398 324 HA3 GLY 48 HA3 GLY 48 6.764 1.202 -10.812 325 H LEU 49 H LEU 49 4.528 0.681 -9.223 326 HA LEU 49 HA LEU 49 4.158 -2.096 -9.790 327 HB2 LEU 49 HB2 LEU 49 2.843 -0.344 -7.713 328 HB3 LEU 49 HB3 LEU 49 2.775 -2.096 -7.753 329 HG LEU 49 HG LEU 49 5.268 -0.428 -7.336 330 HD11 LEU 49 HD11 LEU 49 3.642 -2.140 -5.464 331 HD12 LEU 49 HD12 LEU 49 3.857 -0.391 -5.394 332 HD13 LEU 49 HD13 LEU 49 5.226 -1.461 -5.091 333 HD21 LEU 49 HD21 LEU 49 5.754 -2.484 -8.561 334 HD22 LEU 49 HD22 LEU 49 4.911 -3.426 -7.332 335 HD23 LEU 49 HD23 LEU 49 6.387 -2.554 -6.918 336 H ALA 50 H ALA 50 2.036 0.753 -9.870 337 HA ALA 50 HA ALA 50 -0.346 -0.594 -10.569 338 HB1 ALA 50 HB1 ALA 50 -1.210 1.584 -11.176 339 HB2 ALA 50 HB2 ALA 50 0.422 2.252 -11.192 340 HB3 ALA 50 HB3 ALA 50 -0.287 1.693 -9.678 341 H GLU 51 H GLU 51 2.202 0.807 -12.526 342 HA GLU 51 HA GLU 51 0.972 0.739 -15.018 343 HB2 GLU 51 HB2 GLU 51 3.061 1.963 -14.549 344 HB3 GLU 51 HB3 GLU 51 3.912 0.436 -14.366 345 HG2 GLU 51 HG2 GLU 51 3.468 -0.102 -16.706 346 HG3 GLU 51 HG3 GLU 51 2.605 1.425 -16.893 347 H ARG 52 H ARG 52 2.936 -1.672 -13.312 348 HA ARG 52 HA ARG 52 3.097 -3.569 -15.377 349 HB2 ARG 52 HB2 ARG 52 3.710 -3.470 -12.534 350 HB3 ARG 52 HB3 ARG 52 3.108 -5.047 -13.023 351 HG2 ARG 52 HG2 ARG 52 5.416 -5.214 -13.262 352 HG3 ARG 52 HG3 ARG 52 4.834 -4.930 -14.903 353 HD2 ARG 52 HD2 ARG 52 5.412 -2.469 -13.459 354 HD3 ARG 52 HD3 ARG 52 6.817 -3.519 -13.611 355 HE ARG 52 HE ARG 52 5.750 -3.461 -16.119 356 HH11 ARG 52 HH11 ARG 52 6.408 -2.005 -17.745 357 HH12 ARG 52 HH12 ARG 52 7.081 -0.473 -17.299 358 HH21 ARG 52 HH21 ARG 52 6.806 -1.038 -13.854 359 HH22 ARG 52 HH22 ARG 52 7.307 0.080 -15.079 360 H LEU 53 H LEU 53 0.699 -3.161 -12.776 361 HA LEU 53 HA LEU 53 -0.739 -5.520 -13.462 362 HB2 LEU 53 HB2 LEU 53 -0.933 -4.492 -11.239 363 HB3 LEU 53 HB3 LEU 53 -1.720 -3.092 -11.954 364 HG LEU 53 HG LEU 53 -3.605 -4.514 -12.665 365 HD11 LEU 53 HD11 LEU 53 -3.669 -6.822 -11.511 366 HD12 LEU 53 HD12 LEU 53 -1.913 -6.665 -11.447 367 HD13 LEU 53 HD13 LEU 53 -2.744 -6.644 -13.002 368 HD21 LEU 53 HD21 LEU 53 -4.439 -3.827 -10.723 369 HD22 LEU 53 HD22 LEU 53 -2.860 -3.921 -9.942 370 HD23 LEU 53 HD23 LEU 53 -3.891 -5.349 -10.022 371 H SER 54 H SER 54 -1.043 -2.127 -14.389 372 HA SER 54 HA SER 54 -2.161 -1.072 -16.061 373 HB2 SER 54 HB2 SER 54 -2.122 -3.841 -17.279 374 HB3 SER 54 HB3 SER 54 -2.622 -2.386 -18.140 375 HG SER 54 HG SER 54 -0.140 -2.338 -16.852 376 H SER 55 H SER 55 -3.798 -1.445 -14.002 377 HA SER 55 HA SER 55 -6.143 -2.929 -14.483 378 HB2 SER 55 HB2 SER 55 -7.142 -1.548 -12.695 379 HB3 SER 55 HB3 SER 55 -5.543 -2.142 -12.249 380 HG SER 55 HG SER 55 -6.014 0.164 -11.843 381 H SER 56 H SER 56 -5.261 0.392 -15.314 382 HA SER 56 HA SER 56 -7.324 0.451 -17.328 383 HB2 SER 56 HB2 SER 56 -8.604 1.193 -15.375 384 HB3 SER 56 HB3 SER 56 -7.401 2.437 -15.040 385 HG SER 56 HG SER 56 -9.503 2.760 -16.474 386 H TRP 57 H TRP 57 -6.955 1.999 -18.919 387 HA TRP 57 HA TRP 57 -4.259 2.869 -19.204 388 HB2 TRP 57 HB2 TRP 57 -6.748 3.397 -20.834 389 HB3 TRP 57 HB3 TRP 57 -5.162 4.018 -21.277 390 HD1 TRP 57 HD1 TRP 57 -4.122 0.886 -20.050 391 HE1 TRP 57 HE1 TRP 57 -4.086 -0.953 -21.849 392 HE3 TRP 57 HE3 TRP 57 -7.063 3.138 -23.576 393 HZ2 TRP 57 HZ2 TRP 57 -5.162 -1.393 -24.422 394 HZ3 TRP 57 HZ3 TRP 57 -7.511 1.941 -25.678 395 HH2 TRP 57 HH2 TRP 57 -6.579 -0.278 -26.090 396 H LEU 58 H LEU 58 -7.208 4.415 -18.145 397 HA LEU 58 HA LEU 58 -6.021 7.069 -18.239 398 HB2 LEU 58 HB2 LEU 58 -8.724 6.152 -17.253 399 HB3 LEU 58 HB3 LEU 58 -8.208 7.823 -17.369 400 HG LEU 58 HG LEU 58 -8.515 5.935 -19.709 401 HD11 LEU 58 HD11 LEU 58 -10.248 8.178 -19.822 402 HD12 LEU 58 HD12 LEU 58 -10.452 7.406 -18.250 403 HD13 LEU 58 HD13 LEU 58 -10.665 6.468 -19.729 404 HD21 LEU 58 HD21 LEU 58 -7.627 8.787 -19.465 405 HD22 LEU 58 HD22 LEU 58 -8.390 8.196 -20.941 406 HD23 LEU 58 HD23 LEU 58 -6.891 7.464 -20.369 407 H ASP 59 H ASP 59 -5.713 4.556 -16.209 408 HA ASP 59 HA ASP 59 -6.152 5.594 -13.636 409 HB2 ASP 59 HB2 ASP 59 -5.750 3.196 -14.124 410 HB3 ASP 59 HB3 ASP 59 -4.068 3.567 -14.477 411 H VAL 60 H VAL 60 -3.360 5.813 -15.784 412 HA VAL 60 HA VAL 60 -1.509 6.825 -13.944 413 HB VAL 60 HB VAL 60 -0.282 7.715 -15.905 414 HG11 VAL 60 HG11 VAL 60 -0.387 5.314 -17.113 415 HG12 VAL 60 HG12 VAL 60 -1.188 4.925 -15.591 416 HG13 VAL 60 HG13 VAL 60 0.442 5.599 -15.582 417 HG21 VAL 60 HG21 VAL 60 -1.089 7.530 -18.110 418 HG22 VAL 60 HG22 VAL 60 -2.423 8.231 -17.195 419 HG23 VAL 60 HG23 VAL 60 -2.447 6.518 -17.619 420 H ASP 61 H ASP 61 -4.114 8.449 -15.607 421 HA ASP 61 HA ASP 61 -3.172 11.104 -15.373 422 HB2 ASP 61 HB2 ASP 61 -5.083 10.472 -16.806 423 HB3 ASP 61 HB3 ASP 61 -6.038 10.118 -15.369 424 H HIS 62 H HIS 62 -5.190 9.121 -13.247 425 HA HIS 62 HA HIS 62 -5.429 11.135 -11.245 426 HB2 HIS 62 HB2 HIS 62 -6.974 9.073 -11.800 427 HB3 HIS 62 HB3 HIS 62 -5.922 8.249 -10.652 428 HD2 HIS 62 HD2 HIS 62 -6.568 8.622 -8.059 429 HE1 HIS 62 HE1 HIS 62 -9.281 11.808 -8.550 430 H ILE 63 H ILE 63 -3.079 8.713 -11.976 431 HA ILE 63 HA ILE 63 -2.015 8.219 -9.434 432 HB ILE 63 HB ILE 63 -0.690 8.191 -12.143 433 HG12 ILE 63 HG12 ILE 63 -1.414 5.932 -10.261 434 HG13 ILE 63 HG13 ILE 63 -2.432 6.472 -11.596 435 HG21 ILE 63 HG21 ILE 63 0.854 6.673 -10.364 436 HG22 ILE 63 HG22 ILE 63 0.591 8.230 -9.577 437 HG23 ILE 63 HG23 ILE 63 1.311 8.163 -11.186 438 HD11 ILE 63 HD11 ILE 63 -0.172 4.692 -11.607 439 HD12 ILE 63 HD12 ILE 63 0.053 6.016 -12.749 440 HD13 ILE 63 HD13 ILE 63 -1.379 4.991 -12.857 441 H GLU 64 H GLU 64 -1.302 10.789 -11.755 442 HA GLU 64 HA GLU 64 0.770 12.001 -10.255 443 HB2 GLU 64 HB2 GLU 64 -1.086 13.078 -12.383 444 HB3 GLU 64 HB3 GLU 64 0.214 14.027 -11.677 445 HG2 GLU 64 HG2 GLU 64 0.623 11.400 -13.085 446 HG3 GLU 64 HG3 GLU 64 0.765 12.974 -13.863 447 H LYS 65 H LYS 65 -2.714 12.311 -10.226 448 HA LYS 65 HA LYS 65 -2.970 14.724 -8.819 449 HB2 LYS 65 HB2 LYS 65 -4.792 12.348 -9.117 450 HB3 LYS 65 HB3 LYS 65 -5.277 13.836 -8.316 451 HG2 LYS 65 HG2 LYS 65 -4.919 15.094 -10.357 452 HG3 LYS 65 HG3 LYS 65 -4.342 13.639 -11.172 453 HD2 LYS 65 HD2 LYS 65 -6.532 12.597 -10.865 454 HD3 LYS 65 HD3 LYS 65 -7.108 14.034 -10.037 455 HE2 LYS 65 HE2 LYS 65 -6.762 15.353 -12.056 456 HE3 LYS 65 HE3 LYS 65 -6.141 13.928 -12.889 457 HZ1 LYS 65 HZ1 LYS 65 -8.814 14.757 -12.579 458 HZ2 LYS 65 HZ2 LYS 65 -8.623 13.252 -11.831 459 HZ3 LYS 65 HZ3 LYS 65 -8.208 13.444 -13.462 460 H GLU 66 H GLU 66 -3.085 11.360 -7.464 461 HA GLU 66 HA GLU 66 -3.254 12.559 -4.814 462 HB2 GLU 66 HB2 GLU 66 -3.114 9.582 -5.184 463 HB3 GLU 66 HB3 GLU 66 -3.863 10.521 -3.907 464 HG2 GLU 66 HG2 GLU 66 -5.529 11.344 -5.598 465 HG3 GLU 66 HG3 GLU 66 -4.869 10.143 -6.710 466 H VAL 67 H VAL 67 -0.676 11.830 -6.756 467 HA VAL 67 HA VAL 67 1.082 10.452 -5.105 468 HB VAL 67 HB VAL 67 1.483 11.167 -7.514 469 HG11 VAL 67 HG11 VAL 67 1.180 13.491 -7.516 470 HG12 VAL 67 HG12 VAL 67 2.920 13.261 -7.688 471 HG13 VAL 67 HG13 VAL 67 2.241 13.719 -6.125 472 HG21 VAL 67 HG21 VAL 67 3.511 11.128 -5.338 473 HG22 VAL 67 HG22 VAL 67 4.033 11.539 -6.973 474 HG23 VAL 67 HG23 VAL 67 3.246 9.992 -6.660 475 H ASP 68 H ASP 68 0.100 13.819 -4.951 476 HA ASP 68 HA ASP 68 2.040 14.423 -2.863 477 HB2 ASP 68 HB2 ASP 68 -0.084 16.085 -4.226 478 HB3 ASP 68 HB3 ASP 68 0.859 16.680 -2.863 479 H GLN 69 H GLN 69 -0.868 12.892 -2.980 480 HA GLN 69 HA GLN 69 -1.787 13.902 -0.373 481 HB2 GLN 69 HB2 GLN 69 -3.287 12.287 -2.442 482 HB3 GLN 69 HB3 GLN 69 -3.946 12.850 -0.915 483 HG2 GLN 69 HG2 GLN 69 -2.995 14.579 -3.189 484 HG3 GLN 69 HG3 GLN 69 -4.670 14.264 -2.741 485 HE21 GLN 69 HE21 GLN 69 -5.108 14.776 -0.341 486 HE22 GLN 69 HE22 GLN 69 -4.495 16.294 0.212 487 H GLY 70 H GLY 70 0.391 11.850 -0.927 488 HA2 GLY 70 HA2 GLY 70 0.977 10.217 0.735 489 HA3 GLY 70 HA3 GLY 70 -0.725 9.829 0.896 490 H LYS 71 H LYS 71 0.421 10.174 -2.311 491 HA LYS 71 HA LYS 71 1.390 8.695 -3.822 492 HB2 LYS 71 HB2 LYS 71 2.340 7.162 -2.261 493 HB3 LYS 71 HB3 LYS 71 0.753 6.593 -1.764 494 HG2 LYS 71 HG2 LYS 71 1.843 4.927 -3.131 495 HG3 LYS 71 HG3 LYS 71 0.434 5.575 -3.974 496 HD2 LYS 71 HD2 LYS 71 2.299 5.332 -5.521 497 HD3 LYS 71 HD3 LYS 71 1.924 7.041 -5.284 498 HE2 LYS 71 HE2 LYS 71 3.811 6.291 -3.326 499 HE3 LYS 71 HE3 LYS 71 4.375 5.673 -4.873 500 HZ1 LYS 71 HZ1 LYS 71 3.727 8.483 -4.186 501 HZ2 LYS 71 HZ2 LYS 71 3.987 7.956 -5.771 502 HZ3 LYS 71 HZ3 LYS 71 5.233 7.845 -4.631 503 H SER 72 H SER 72 0.469 7.844 -5.589 504 HA SER 72 HA SER 72 -2.361 7.071 -5.458 505 HB2 SER 72 HB2 SER 72 -1.785 9.434 -6.394 506 HB3 SER 72 HB3 SER 72 -1.265 8.544 -7.816 507 HG SER 72 HG SER 72 -3.334 7.705 -8.027 508 H GLY 73 H GLY 73 0.806 6.663 -6.857 509 HA2 GLY 73 HA2 GLY 73 0.215 5.018 -9.022 510 HA3 GLY 73 HA3 GLY 73 1.696 4.926 -8.067 511 H THR 74 H THR 74 1.296 3.840 -5.835 512 HA THR 74 HA THR 74 0.097 1.279 -6.425 513 HB THR 74 HB THR 74 1.580 2.088 -3.918 514 HG1 THR 74 HG1 THR 74 2.550 1.995 -6.329 515 HG21 THR 74 HG21 THR 74 0.113 -0.190 -4.477 516 HG22 THR 74 HG22 THR 74 1.371 -0.045 -3.250 517 HG23 THR 74 HG23 THR 74 1.768 -0.666 -4.854 518 H ARG 75 H ARG 75 -0.382 3.988 -4.205 519 HA ARG 75 HA ARG 75 -2.184 2.765 -2.439 520 HB2 ARG 75 HB2 ARG 75 -1.045 4.963 -2.049 521 HB3 ARG 75 HB3 ARG 75 -2.140 5.683 -3.215 522 HG2 ARG 75 HG2 ARG 75 -4.041 5.124 -1.835 523 HG3 ARG 75 HG3 ARG 75 -2.993 4.320 -0.671 524 HD2 ARG 75 HD2 ARG 75 -1.858 6.454 -0.242 525 HD3 ARG 75 HD3 ARG 75 -2.939 7.249 -1.387 526 HE ARG 75 HE ARG 75 -3.566 6.395 1.306 527 HH11 ARG 75 HH11 ARG 75 -5.595 7.012 2.140 528 HH12 ARG 75 HH12 ARG 75 -6.797 7.659 1.075 529 HH21 ARG 75 HH21 ARG 75 -4.799 7.417 -1.788 530 HH22 ARG 75 HH22 ARG 75 -6.344 7.891 -1.166 531 H GLU 76 H GLU 76 -2.833 4.696 -5.368 532 HA GLU 76 HA GLU 76 -5.642 4.583 -5.169 533 HB2 GLU 76 HB2 GLU 76 -4.515 6.196 -6.614 534 HB3 GLU 76 HB3 GLU 76 -3.897 4.894 -7.627 535 HG2 GLU 76 HG2 GLU 76 -6.245 4.303 -8.185 536 HG3 GLU 76 HG3 GLU 76 -6.773 5.707 -7.258 537 H LEU 77 H LEU 77 -3.292 2.483 -6.742 538 HA LEU 77 HA LEU 77 -5.085 0.823 -8.121 539 HB2 LEU 77 HB2 LEU 77 -2.656 0.867 -8.515 540 HB3 LEU 77 HB3 LEU 77 -2.385 0.159 -6.934 541 HG LEU 77 HG LEU 77 -3.599 -1.878 -7.678 542 HD11 LEU 77 HD11 LEU 77 -4.078 -0.169 -10.003 543 HD12 LEU 77 HD12 LEU 77 -4.973 -1.574 -9.416 544 HD13 LEU 77 HD13 LEU 77 -3.528 -1.796 -10.403 545 HD21 LEU 77 HD21 LEU 77 -1.014 -0.949 -8.498 546 HD22 LEU 77 HD22 LEU 77 -1.682 -2.028 -9.723 547 HD23 LEU 77 HD23 LEU 77 -1.528 -2.577 -8.054 548 H LEU 78 H LEU 78 -3.664 0.518 -4.875 549 HA LEU 78 HA LEU 78 -5.022 -1.902 -4.237 550 HB2 LEU 78 HB2 LEU 78 -3.736 0.166 -2.439 551 HB3 LEU 78 HB3 LEU 78 -4.275 -1.418 -1.907 552 HG LEU 78 HG LEU 78 -2.082 -0.888 -3.922 553 HD11 LEU 78 HD11 LEU 78 -1.869 -1.999 -1.131 554 HD12 LEU 78 HD12 LEU 78 -1.562 -0.314 -1.549 555 HD13 LEU 78 HD13 LEU 78 -0.555 -1.590 -2.233 556 HD21 LEU 78 HD21 LEU 78 -3.643 -3.247 -3.331 557 HD22 LEU 78 HD22 LEU 78 -1.935 -3.507 -2.979 558 HD23 LEU 78 HD23 LEU 78 -2.433 -2.982 -4.588 559 H TRP 79 H TRP 79 -5.691 1.504 -3.705 560 HA TRP 79 HA TRP 79 -7.985 1.116 -2.035 561 HB2 TRP 79 HB2 TRP 79 -6.375 3.166 -2.265 562 HB3 TRP 79 HB3 TRP 79 -7.463 3.643 -3.560 563 HD1 TRP 79 HD1 TRP 79 -9.706 4.772 -2.884 564 HE1 TRP 79 HE1 TRP 79 -10.781 5.431 -0.639 565 HE3 TRP 79 HE3 TRP 79 -6.534 2.318 0.285 566 HZ2 TRP 79 HZ2 TRP 79 -10.336 4.974 2.111 567 HZ3 TRP 79 HZ3 TRP 79 -6.925 2.483 2.709 568 HH2 TRP 79 HH2 TRP 79 -8.788 3.785 3.602 569 H SER 80 H SER 80 -7.602 0.648 -5.326 570 HA SER 80 HA SER 80 -9.846 1.863 -6.464 571 HB2 SER 80 HB2 SER 80 -8.399 -0.674 -7.232 572 HB3 SER 80 HB3 SER 80 -9.663 0.064 -8.216 573 HG SER 80 HG SER 80 -7.455 1.594 -7.357 574 H TRP 81 H TRP 81 -9.617 -1.303 -4.841 575 HA TRP 81 HA TRP 81 -12.413 -1.831 -5.428 576 HB2 TRP 81 HB2 TRP 81 -10.228 -3.371 -4.056 577 HB3 TRP 81 HB3 TRP 81 -11.910 -3.867 -3.884 578 HD1 TRP 81 HD1 TRP 81 -8.987 -4.109 -6.201 579 HE1 TRP 81 HE1 TRP 81 -9.663 -5.379 -8.335 580 HE3 TRP 81 HE3 TRP 81 -14.057 -4.168 -5.538 581 HZ2 TRP 81 HZ2 TRP 81 -12.034 -6.285 -9.575 582 HZ3 TRP 81 HZ3 TRP 81 -15.457 -5.256 -7.245 583 HH2 TRP 81 HH2 TRP 81 -14.465 -6.293 -9.220 584 H ALA 82 H ALA 82 -11.004 -2.520 -2.288 585 HA ALA 82 HA ALA 82 -13.066 -0.820 -1.049 586 HB1 ALA 82 HB1 ALA 82 -13.531 -2.866 -0.142 587 HB2 ALA 82 HB2 ALA 82 -12.304 -2.339 1.009 588 HB3 ALA 82 HB3 ALA 82 -11.871 -3.438 -0.300 589 H GLN 83 H GLN 83 -10.207 -2.145 0.474 590 HA GLN 83 HA GLN 83 -9.159 0.584 0.823 591 HB2 GLN 83 HB2 GLN 83 -8.857 -1.824 2.640 592 HB3 GLN 83 HB3 GLN 83 -8.036 -0.285 2.875 593 HG2 GLN 83 HG2 GLN 83 -10.243 0.816 3.058 594 HG3 GLN 83 HG3 GLN 83 -11.006 -0.769 2.948 595 HE21 GLN 83 HE21 GLN 83 -11.721 -1.343 4.872 596 HE22 GLN 83 HE22 GLN 83 -10.871 -1.163 6.367 597 H LYS 84 H LYS 84 -8.150 -2.827 0.698 598 HA LYS 84 HA LYS 84 -6.035 -2.031 -1.165 599 HB2 LYS 84 HB2 LYS 84 -4.789 -2.377 0.820 600 HB3 LYS 84 HB3 LYS 84 -5.742 -3.782 1.276 601 HG2 LYS 84 HG2 LYS 84 -4.697 -5.138 -0.337 602 HG3 LYS 84 HG3 LYS 84 -4.006 -3.752 -1.169 603 HD2 LYS 84 HD2 LYS 84 -2.292 -4.902 0.088 604 HD3 LYS 84 HD3 LYS 84 -2.582 -3.312 0.793 605 HE2 LYS 84 HE2 LYS 84 -2.330 -5.179 2.444 606 HE3 LYS 84 HE3 LYS 84 -3.822 -4.244 2.593 607 HZ1 LYS 84 HZ1 LYS 84 -3.930 -6.611 0.890 608 HZ2 LYS 84 HZ2 LYS 84 -5.084 -5.996 1.965 609 HZ3 LYS 84 HZ3 LYS 84 -3.770 -6.887 2.550 610 H ASN 85 H ASN 85 -7.972 -4.660 0.180 611 HA ASN 85 HA ASN 85 -8.781 -6.614 -0.652 612 HB2 ASN 85 HB2 ASN 85 -10.023 -4.742 -1.939 613 HB3 ASN 85 HB3 ASN 85 -9.040 -5.244 -3.312 614 HD21 ASN 85 HD21 ASN 85 -10.550 -6.177 -4.576 615 HD22 ASN 85 HD22 ASN 85 -11.505 -7.540 -4.111 616 H LYS 86 H LYS 86 -5.968 -6.447 -0.758 617 HA LYS 86 HA LYS 86 -5.439 -8.319 -2.942 618 HB2 LYS 86 HB2 LYS 86 -4.384 -5.641 -2.747 619 HB3 LYS 86 HB3 LYS 86 -3.075 -6.803 -2.588 620 HG2 LYS 86 HG2 LYS 86 -3.159 -6.363 -4.864 621 HG3 LYS 86 HG3 LYS 86 -4.040 -7.886 -4.705 622 HD2 LYS 86 HD2 LYS 86 -6.110 -6.273 -4.470 623 HD3 LYS 86 HD3 LYS 86 -5.051 -5.149 -5.326 624 HE2 LYS 86 HE2 LYS 86 -5.907 -7.892 -6.246 625 HE3 LYS 86 HE3 LYS 86 -6.422 -6.343 -6.915 626 HZ1 LYS 86 HZ1 LYS 86 -4.046 -5.943 -7.486 627 HZ2 LYS 86 HZ2 LYS 86 -4.747 -7.233 -8.323 628 HZ3 LYS 86 HZ3 LYS 86 -3.702 -7.537 -7.027 629 H THR 87 H THR 87 -3.202 -9.364 -2.555 630 HA THR 87 HA THR 87 -2.808 -9.672 0.343 631 HB THR 87 HB THR 87 -2.185 -12.008 -0.005 632 HG1 THR 87 HG1 THR 87 -2.775 -12.866 -2.195 633 HG21 THR 87 HG21 THR 87 -4.751 -12.016 -1.442 634 HG22 THR 87 HG22 THR 87 -4.721 -11.018 0.012 635 HG23 THR 87 HG23 THR 87 -4.316 -12.734 0.111 636 H ILE 88 H ILE 88 -0.638 -10.291 0.980 637 HA ILE 88 HA ILE 88 1.318 -8.650 -0.155 638 HB ILE 88 HB ILE 88 1.222 -10.666 1.995 639 HG12 ILE 88 HG12 ILE 88 2.550 -8.796 3.114 640 HG13 ILE 88 HG13 ILE 88 2.323 -7.880 1.631 641 HG21 ILE 88 HG21 ILE 88 3.784 -10.052 0.559 642 HG22 ILE 88 HG22 ILE 88 3.134 -11.620 1.037 643 HG23 ILE 88 HG23 ILE 88 3.750 -10.511 2.262 644 HD11 ILE 88 HD11 ILE 88 -0.080 -7.964 1.936 645 HD12 ILE 88 HD12 ILE 88 0.708 -7.284 3.361 646 HD13 ILE 88 HD13 ILE 88 0.125 -8.948 3.387 647 H GLY 89 H GLY 89 0.671 -12.101 -0.596 648 HA2 GLY 89 HA2 GLY 89 2.978 -12.732 -2.087 649 HA3 GLY 89 HA3 GLY 89 1.453 -13.608 -2.146 650 H ASP 90 H ASP 90 -0.174 -11.488 -3.108 651 HA ASP 90 HA ASP 90 0.203 -11.766 -5.887 652 HB2 ASP 90 HB2 ASP 90 -1.997 -11.369 -4.829 653 HB3 ASP 90 HB3 ASP 90 -1.493 -9.729 -4.431 654 H LEU 91 H LEU 91 0.821 -9.008 -3.726 655 HA LEU 91 HA LEU 91 1.801 -7.367 -5.881 656 HB2 LEU 91 HB2 LEU 91 1.060 -6.970 -3.151 657 HB3 LEU 91 HB3 LEU 91 2.675 -6.334 -3.392 658 HG LEU 91 HG LEU 91 1.167 -4.523 -3.726 659 HD11 LEU 91 HD11 LEU 91 2.056 -3.737 -5.631 660 HD12 LEU 91 HD12 LEU 91 1.515 -5.119 -6.585 661 HD13 LEU 91 HD13 LEU 91 2.976 -5.241 -5.604 662 HD21 LEU 91 HD21 LEU 91 -0.950 -5.184 -4.128 663 HD22 LEU 91 HD22 LEU 91 -0.451 -6.581 -5.083 664 HD23 LEU 91 HD23 LEU 91 -0.485 -4.978 -5.819 665 H LEU 92 H LEU 92 3.175 -9.638 -3.666 666 HA LEU 92 HA LEU 92 5.831 -8.765 -3.572 667 HB2 LEU 92 HB2 LEU 92 4.932 -10.553 -2.151 668 HB3 LEU 92 HB3 LEU 92 4.764 -11.591 -3.552 669 HG LEU 92 HG LEU 92 7.224 -11.577 -3.832 670 HD11 LEU 92 HD11 LEU 92 8.373 -10.809 -1.567 671 HD12 LEU 92 HD12 LEU 92 7.020 -9.679 -1.566 672 HD13 LEU 92 HD13 LEU 92 8.143 -9.708 -2.925 673 HD21 LEU 92 HD21 LEU 92 6.119 -13.366 -2.584 674 HD22 LEU 92 HD22 LEU 92 6.279 -12.429 -1.098 675 HD23 LEU 92 HD23 LEU 92 7.720 -13.017 -1.928 676 H GLN 93 H GLN 93 4.153 -10.769 -5.945 677 HA GLN 93 HA GLN 93 6.382 -11.477 -7.512 678 HB2 GLN 93 HB2 GLN 93 3.458 -11.139 -8.207 679 HB3 GLN 93 HB3 GLN 93 4.648 -11.795 -9.325 680 HG2 GLN 93 HG2 GLN 93 5.058 -13.668 -7.905 681 HG3 GLN 93 HG3 GLN 93 4.075 -12.970 -6.617 682 HE21 GLN 93 HE21 GLN 93 1.909 -13.229 -6.646 683 HE22 GLN 93 HE22 GLN 93 1.062 -14.155 -7.836 684 H VAL 94 H VAL 94 4.185 -8.713 -7.631 685 HA VAL 94 HA VAL 94 5.306 -7.514 -9.957 686 HB VAL 94 HB VAL 94 3.667 -6.287 -7.726 687 HG11 VAL 94 HG11 VAL 94 3.824 -5.118 -10.463 688 HG12 VAL 94 HG12 VAL 94 5.113 -4.779 -9.306 689 HG13 VAL 94 HG13 VAL 94 3.446 -4.343 -8.923 690 HG21 VAL 94 HG21 VAL 94 2.012 -7.492 -8.607 691 HG22 VAL 94 HG22 VAL 94 2.997 -7.973 -9.990 692 HG23 VAL 94 HG23 VAL 94 2.122 -6.441 -10.021 693 H LEU 95 H LEU 95 5.804 -7.127 -6.482 694 HA LEU 95 HA LEU 95 7.561 -4.944 -6.492 695 HB2 LEU 95 HB2 LEU 95 6.906 -7.152 -4.633 696 HB3 LEU 95 HB3 LEU 95 8.458 -6.384 -4.378 697 HG LEU 95 HG LEU 95 7.464 -4.299 -3.861 698 HD11 LEU 95 HD11 LEU 95 4.746 -4.481 -3.939 699 HD12 LEU 95 HD12 LEU 95 5.214 -5.346 -5.405 700 HD13 LEU 95 HD13 LEU 95 5.746 -3.683 -5.153 701 HD21 LEU 95 HD21 LEU 95 7.333 -5.972 -2.081 702 HD22 LEU 95 HD22 LEU 95 5.740 -6.461 -2.657 703 HD23 LEU 95 HD23 LEU 95 5.983 -4.840 -2.006 704 H GLN 96 H GLN 96 8.172 -8.413 -6.790 705 HA GLN 96 HA GLN 96 10.983 -8.308 -6.745 706 HB2 GLN 96 HB2 GLN 96 9.605 -10.371 -6.464 707 HB3 GLN 96 HB3 GLN 96 9.241 -10.319 -8.182 708 HG2 GLN 96 HG2 GLN 96 10.990 -11.918 -7.753 709 HG3 GLN 96 HG3 GLN 96 11.627 -10.566 -8.685 710 HE21 GLN 96 HE21 GLN 96 13.598 -10.059 -8.079 711 HE22 GLN 96 HE22 GLN 96 14.208 -10.078 -6.463 712 H GLU 97 H GLU 97 8.664 -8.077 -9.415 713 HA GLU 97 HA GLU 97 10.527 -8.122 -11.527 714 HB2 GLU 97 HB2 GLU 97 8.111 -8.430 -11.864 715 HB3 GLU 97 HB3 GLU 97 7.822 -6.762 -11.390 716 HG2 GLU 97 HG2 GLU 97 7.707 -6.928 -13.774 717 HG3 GLU 97 HG3 GLU 97 9.149 -6.016 -13.337 718 H MET 98 H MET 98 9.096 -5.409 -9.732 719 HA MET 98 HA MET 98 10.504 -3.400 -11.169 720 HB2 MET 98 HB2 MET 98 9.068 -3.349 -8.521 721 HB3 MET 98 HB3 MET 98 9.825 -1.928 -9.226 722 HG2 MET 98 HG2 MET 98 7.566 -3.538 -10.394 723 HG3 MET 98 HG3 MET 98 7.478 -1.914 -9.718 724 HE1 MET 98 HE1 MET 98 9.051 0.374 -12.177 725 HE2 MET 98 HE2 MET 98 10.337 -0.535 -11.383 726 HE3 MET 98 HE3 MET 98 8.907 -0.051 -10.470 727 H GLY 99 H GLY 99 11.174 -5.168 -8.191 728 HA2 GLY 99 HA2 GLY 99 13.360 -5.573 -7.381 729 HA3 GLY 99 HA3 GLY 99 13.939 -4.215 -8.338 730 H HIS 100 H HIS 100 11.202 -4.228 -6.102 731 HA HIS 100 HA HIS 100 12.255 -1.900 -4.764 732 HB2 HIS 100 HB2 HIS 100 9.747 -3.532 -4.370 733 HB3 HIS 100 HB3 HIS 100 10.155 -2.151 -3.360 734 HD2 HIS 100 HD2 HIS 100 11.138 -1.254 -6.848 735 HE1 HIS 100 HE1 HIS 100 7.152 0.057 -6.486 736 H ARG 101 H ARG 101 14.102 -2.544 -3.714 737 HA ARG 101 HA ARG 101 14.405 -4.831 -2.122 738 HB2 ARG 101 HB2 ARG 101 15.845 -2.187 -2.154 739 HB3 ARG 101 HB3 ARG 101 16.353 -3.538 -1.145 740 HG2 ARG 101 HG2 ARG 101 16.750 -4.903 -3.093 741 HG3 ARG 101 HG3 ARG 101 16.111 -3.640 -4.147 742 HD2 ARG 101 HD2 ARG 101 18.525 -3.598 -4.202 743 HD3 ARG 101 HD3 ARG 101 17.927 -2.143 -3.404 744 HE ARG 101 HE ARG 101 18.487 -4.159 -1.498 745 HH11 ARG 101 HH11 ARG 101 20.337 -3.969 -0.181 746 HH12 ARG 101 HH12 ARG 101 21.626 -2.918 -0.665 747 HH21 ARG 101 HH21 ARG 101 20.053 -1.880 -3.614 748 HH22 ARG 101 HH22 ARG 101 21.464 -1.725 -2.622 749 H ARG 102 H ARG 102 13.469 -1.519 -1.203 750 HA ARG 102 HA ARG 102 13.507 -1.966 1.590 751 HB2 ARG 102 HB2 ARG 102 13.436 0.290 0.450 752 HB3 ARG 102 HB3 ARG 102 11.725 0.005 0.157 753 HG2 ARG 102 HG2 ARG 102 11.821 1.323 2.104 754 HG3 ARG 102 HG3 ARG 102 11.494 -0.327 2.659 755 HD2 ARG 102 HD2 ARG 102 13.877 -0.623 3.151 756 HD3 ARG 102 HD3 ARG 102 14.187 1.034 2.636 757 HE ARG 102 HE ARG 102 13.292 1.799 4.619 758 HH11 ARG 102 HH11 ARG 102 12.613 1.547 6.782 759 HH12 ARG 102 HH12 ARG 102 12.129 -0.017 7.348 760 HH21 ARG 102 HH21 ARG 102 12.698 -1.612 4.287 761 HH22 ARG 102 HH22 ARG 102 12.187 -1.822 5.928 762 H ALA 103 H ALA 103 11.012 -2.321 -0.855 763 HA ALA 103 HA ALA 103 8.810 -2.791 0.832 764 HB1 ALA 103 HB1 ALA 103 8.600 -2.293 -1.561 765 HB2 ALA 103 HB2 ALA 103 7.741 -3.770 -1.123 766 HB3 ALA 103 HB3 ALA 103 9.297 -3.866 -1.950 767 H ILE 104 H ILE 104 11.255 -4.947 -0.523 768 HA ILE 104 HA ILE 104 10.145 -7.401 0.300 769 HB ILE 104 HB ILE 104 13.045 -6.636 -0.120 770 HG12 ILE 104 HG12 ILE 104 11.665 -6.380 -2.128 771 HG13 ILE 104 HG13 ILE 104 12.770 -7.737 -2.305 772 HG21 ILE 104 HG21 ILE 104 12.108 -8.912 1.146 773 HG22 ILE 104 HG22 ILE 104 13.699 -8.700 0.416 774 HG23 ILE 104 HG23 ILE 104 12.393 -9.434 -0.514 775 HD11 ILE 104 HD11 ILE 104 10.921 -8.758 -3.070 776 HD12 ILE 104 HD12 ILE 104 9.832 -7.685 -2.192 777 HD13 ILE 104 HD13 ILE 104 10.616 -9.023 -1.354 778 H HIS 105 H HIS 105 12.274 -5.097 1.887 779 HA HIS 105 HA HIS 105 12.948 -6.562 4.177 780 HB2 HIS 105 HB2 HIS 105 13.956 -4.392 3.396 781 HB3 HIS 105 HB3 HIS 105 12.518 -3.572 3.983 782 HD2 HIS 105 HD2 HIS 105 15.905 -4.697 5.195 783 HE1 HIS 105 HE1 HIS 105 13.733 -3.678 8.657 784 H LEU 106 H LEU 106 10.266 -4.274 3.628 785 HA LEU 106 HA LEU 106 9.168 -4.734 6.253 786 HB2 LEU 106 HB2 LEU 106 8.907 -2.783 4.236 787 HB3 LEU 106 HB3 LEU 106 7.306 -3.441 4.508 788 HG LEU 106 HG LEU 106 7.595 -1.504 5.904 789 HD11 LEU 106 HD11 LEU 106 6.939 -4.045 6.881 790 HD12 LEU 106 HD12 LEU 106 6.467 -2.478 7.538 791 HD13 LEU 106 HD13 LEU 106 7.924 -3.278 8.128 792 HD21 LEU 106 HD21 LEU 106 10.182 -2.811 6.605 793 HD22 LEU 106 HD22 LEU 106 9.395 -1.758 7.780 794 HD23 LEU 106 HD23 LEU 106 9.842 -1.129 6.195 795 H ILE 107 H ILE 107 8.692 -6.183 3.137 796 HA ILE 107 HA ILE 107 6.039 -7.051 3.410 797 HB ILE 107 HB ILE 107 7.670 -7.191 1.361 798 HG12 ILE 107 HG12 ILE 107 6.218 -9.162 0.494 799 HG13 ILE 107 HG13 ILE 107 5.410 -9.031 2.056 800 HG21 ILE 107 HG21 ILE 107 7.987 -9.944 2.550 801 HG22 ILE 107 HG22 ILE 107 9.266 -8.750 2.309 802 HG23 ILE 107 HG23 ILE 107 8.461 -9.476 0.918 803 HD11 ILE 107 HD11 ILE 107 4.232 -7.790 0.329 804 HD12 ILE 107 HD12 ILE 107 5.676 -6.825 0.027 805 HD13 ILE 107 HD13 ILE 107 4.849 -6.710 1.582 806 H THR 108 H THR 108 8.882 -8.085 5.017 807 HA THR 108 HA THR 108 8.070 -10.732 5.692 808 HB THR 108 HB THR 108 9.882 -10.666 7.351 809 HG1 THR 108 HG1 THR 108 10.556 -8.043 6.550 810 HG21 THR 108 HG21 THR 108 10.478 -9.572 4.610 811 HG22 THR 108 HG22 THR 108 10.613 -11.236 5.178 812 HG23 THR 108 HG23 THR 108 11.752 -10.015 5.747 813 H ASN 109 H ASN 109 7.021 -7.692 6.753 814 HA ASN 109 HA ASN 109 6.478 -8.266 9.489 815 HB2 ASN 109 HB2 ASN 109 6.623 -5.969 8.596 816 HB3 ASN 109 HB3 ASN 109 5.169 -6.249 7.649 817 HD21 ASN 109 HD21 ASN 109 6.401 -6.155 10.953 818 HD22 ASN 109 HD22 ASN 109 4.919 -5.645 11.678 819 H TYR 110 H TYR 110 4.816 -8.958 6.523 820 HA TYR 110 HA TYR 110 2.212 -9.380 7.474 821 HB2 TYR 110 HB2 TYR 110 2.671 -9.230 5.105 822 HB3 TYR 110 HB3 TYR 110 3.698 -10.655 5.169 823 HD1 TYR 110 HD1 TYR 110 0.161 -9.599 5.791 824 HD2 TYR 110 HD2 TYR 110 2.807 -12.716 4.604 825 HE1 TYR 110 HE1 TYR 110 -1.765 -11.009 5.206 826 HE2 TYR 110 HE2 TYR 110 0.886 -14.130 4.015 827 HH TYR 110 HH TYR 110 -1.392 -14.038 3.532 828 H GLY 111 H GLY 111 4.923 -11.659 7.130 829 HA2 GLY 111 HA2 GLY 111 5.358 -13.329 8.788 830 HA3 GLY 111 HA3 GLY 111 3.645 -13.335 9.178 831 H ALA 112 H ALA 112 5.305 -15.612 8.625 832 HA ALA 112 HA ALA 112 4.154 -16.555 6.085 833 HB1 ALA 112 HB1 ALA 112 6.410 -16.854 5.794 834 HB2 ALA 112 HB2 ALA 112 5.963 -18.418 6.477 835 HB3 ALA 112 HB3 ALA 112 6.699 -17.183 7.502 836 H VAL 113 H VAL 113 3.335 -16.587 9.175 837 HA VAL 113 HA VAL 113 2.147 -19.255 8.986 838 HB VAL 113 HB VAL 113 4.163 -19.460 10.402 839 HG11 VAL 113 HG11 VAL 113 2.968 -17.130 11.747 840 HG12 VAL 113 HG12 VAL 113 4.658 -17.601 11.569 841 HG13 VAL 113 HG13 VAL 113 3.657 -18.358 12.806 842 HG21 VAL 113 HG21 VAL 113 1.564 -19.765 11.899 843 HG22 VAL 113 HG22 VAL 113 3.090 -20.537 12.332 844 HG23 VAL 113 HG23 VAL 113 2.293 -20.947 10.812 845 H LEU 114 H LEU 114 0.119 -19.450 9.878 846 HA LEU 114 HA LEU 114 -1.945 -18.842 10.591 847 HB2 LEU 114 HB2 LEU 114 -0.116 -17.427 12.384 848 HB3 LEU 114 HB3 LEU 114 -1.692 -16.668 12.252 849 HG LEU 114 HG LEU 114 -2.717 -18.893 12.840 850 HD11 LEU 114 HD11 LEU 114 0.068 -19.630 13.711 851 HD12 LEU 114 HD12 LEU 114 -0.669 -20.208 12.215 852 HD13 LEU 114 HD13 LEU 114 -1.389 -20.622 13.770 853 HD21 LEU 114 HD21 LEU 114 -2.166 -18.700 15.245 854 HD22 LEU 114 HD22 LEU 114 -2.545 -17.149 14.493 855 HD23 LEU 114 HD23 LEU 114 -0.868 -17.581 14.827 856 H SER 115 H SER 115 -0.795 -17.576 8.215 857 HA SER 115 HA SER 115 -1.799 -14.875 8.172 858 HB2 SER 115 HB2 SER 115 -1.115 -14.938 5.790 859 HB3 SER 115 HB3 SER 115 0.181 -15.467 6.864 860 HG SER 115 HG SER 115 -1.562 -17.389 5.806 861 HA PRO 116 HA PRO 116 -5.896 -15.860 6.764 862 HB2 PRO 116 HB2 PRO 116 -6.616 -13.534 5.623 863 HB3 PRO 116 HB3 PRO 116 -6.381 -13.678 7.369 864 HG2 PRO 116 HG2 PRO 116 -4.535 -12.569 5.291 865 HG3 PRO 116 HG3 PRO 116 -4.905 -11.941 6.907 866 HD2 PRO 116 HD2 PRO 116 -2.658 -13.391 6.314 867 HD3 PRO 116 HD3 PRO 116 -3.402 -13.340 7.925 868 H SER 117 H SER 117 -4.415 -17.252 5.117 869 HA SER 117 HA SER 117 -5.324 -16.471 2.425 870 HB2 SER 117 HB2 SER 117 -2.690 -17.788 3.143 871 HB3 SER 117 HB3 SER 117 -3.270 -17.508 1.500 872 HG SER 117 HG SER 117 -3.339 -15.256 3.038 873 H GLU 118 H GLU 118 -6.005 -18.147 1.066 874 HA GLU 118 HA GLU 118 -6.274 -20.790 2.332 875 HB2 GLU 118 HB2 GLU 118 -8.376 -19.276 0.768 876 HB3 GLU 118 HB3 GLU 118 -8.512 -20.970 1.215 877 HG2 GLU 118 HG2 GLU 118 -8.457 -20.371 3.573 878 HG3 GLU 118 HG3 GLU 118 -8.270 -18.672 3.146 879 H LYS 119 H LYS 119 -6.157 -22.573 0.962 880 HA LYS 119 HA LYS 119 -4.509 -22.326 -1.302 881 HB2 LYS 119 HB2 LYS 119 -6.194 -24.610 -0.282 882 HB3 LYS 119 HB3 LYS 119 -5.145 -24.754 -1.683 883 HG2 LYS 119 HG2 LYS 119 -3.201 -24.293 -0.346 884 HG3 LYS 119 HG3 LYS 119 -4.207 -23.964 1.066 885 HD2 LYS 119 HD2 LYS 119 -3.327 -26.174 1.302 886 HD3 LYS 119 HD3 LYS 119 -5.040 -26.323 0.913 887 HE2 LYS 119 HE2 LYS 119 -3.807 -27.937 -0.372 888 HE3 LYS 119 HE3 LYS 119 -4.419 -26.692 -1.460 889 HZ1 LYS 119 HZ1 LYS 119 -1.850 -27.547 -1.325 890 HZ2 LYS 119 HZ2 LYS 119 -1.802 -26.107 -0.442 891 HZ3 LYS 119 HZ3 LYS 119 -2.365 -26.101 -2.037 892 H SER 120 H SER 120 -7.996 -22.720 -0.979 893 HA SER 120 HA SER 120 -9.732 -22.488 -2.419 894 HB2 SER 120 HB2 SER 120 -7.725 -20.960 -4.092 895 HB3 SER 120 HB3 SER 120 -9.476 -20.921 -4.296 896 HG SER 120 HG SER 120 -7.890 -19.833 -2.253 897 H TYR 121 H TYR 121 -8.158 -24.863 -2.625 898 HA TYR 121 HA TYR 121 -8.423 -25.497 -5.486 899 HB2 TYR 121 HB2 TYR 121 -6.552 -26.476 -3.380 900 HB3 TYR 121 HB3 TYR 121 -7.024 -27.595 -4.652 901 HD1 TYR 121 HD1 TYR 121 -5.367 -24.348 -3.987 902 HD2 TYR 121 HD2 TYR 121 -6.133 -27.412 -6.839 903 HE1 TYR 121 HE1 TYR 121 -3.669 -23.381 -5.477 904 HE2 TYR 121 HE2 TYR 121 -4.438 -26.449 -8.338 905 HH TYR 121 HH TYR 121 -2.150 -24.724 -7.656 906 H GLN 122 H GLN 122 -10.575 -25.449 -3.476 907 HA GLN 122 HA GLN 122 -11.337 -28.294 -3.556 908 HB2 GLN 122 HB2 GLN 122 -12.077 -26.143 -1.569 909 HB3 GLN 122 HB3 GLN 122 -12.890 -27.699 -1.648 910 HG2 GLN 122 HG2 GLN 122 -10.884 -28.857 -1.069 911 HG3 GLN 122 HG3 GLN 122 -9.931 -27.379 -1.206 912 HE21 GLN 122 HE21 GLN 122 -10.253 -29.193 1.056 913 HE22 GLN 122 HE22 GLN 122 -10.852 -28.230 2.360 914 H GLU 123 H GLU 123 -13.353 -28.841 -4.325 915 HA GLU 123 HA GLU 123 -14.974 -26.646 -5.434 916 HB2 GLU 123 HB2 GLU 123 -14.306 -29.299 -6.721 917 HB3 GLU 123 HB3 GLU 123 -15.542 -28.204 -7.320 918 HG2 GLU 123 HG2 GLU 123 -13.869 -26.494 -7.729 919 HG3 GLU 123 HG3 GLU 123 -12.618 -27.538 -7.059 920 H GLY 124 H GLY 124 -17.220 -26.933 -5.406 921 HA2 GLY 124 HA2 GLY 124 -18.428 -29.372 -4.518 922 HA3 GLY 124 HA3 GLY 124 -18.359 -28.172 -3.235 Start of MODEL 2 1 H1 SER 1 HT1 SER 1 22.011 -2.005 -11.405 2 H2 SER 1 HT2 SER 1 22.613 -0.965 -12.598 3 H3 SER 1 HT3 SER 1 22.208 -2.558 -12.994 4 HA SER 1 HA SER 1 20.495 -1.128 -13.797 5 HB2 SER 1 HB2 SER 1 18.925 -2.051 -11.557 6 HB3 SER 1 HB3 SER 1 18.969 -2.668 -13.212 7 HG SER 1 HG SER 1 21.203 -3.390 -11.932 8 H GLU 2 H GLU 2 21.975 -0.037 -11.076 9 HA GLU 2 HA GLU 2 19.874 1.919 -10.450 10 HB2 GLU 2 HB2 GLU 2 20.774 0.632 -8.546 11 HB3 GLU 2 HB3 GLU 2 22.389 1.218 -8.916 12 HG2 GLU 2 HG2 GLU 2 21.700 3.493 -8.415 13 HG3 GLU 2 HG3 GLU 2 20.058 2.939 -8.093 14 H PHE 3 H PHE 3 20.046 3.856 -11.368 15 HA PHE 3 HA PHE 3 22.674 4.738 -12.331 16 HB2 PHE 3 HB2 PHE 3 19.898 5.692 -13.063 17 HB3 PHE 3 HB3 PHE 3 21.391 6.347 -13.724 18 HD1 PHE 3 HD1 PHE 3 18.977 3.654 -13.864 19 HD2 PHE 3 HD2 PHE 3 22.813 4.945 -15.183 20 HE1 PHE 3 HE1 PHE 3 18.941 1.943 -15.630 21 HE2 PHE 3 HE2 PHE 3 22.783 3.236 -16.953 22 HZ PHE 3 HZ PHE 3 20.845 1.733 -17.178 23 H GLY 4 H GLY 4 20.896 5.090 -9.646 24 HA2 GLY 4 HA2 GLY 4 21.146 6.559 -7.874 25 HA3 GLY 4 HA3 GLY 4 22.253 7.496 -8.867 26 H SER 5 H SER 5 21.218 9.372 -7.952 27 HA SER 5 HA SER 5 19.820 11.159 -7.993 28 HB2 SER 5 HB2 SER 5 19.033 10.018 -10.684 29 HB3 SER 5 HB3 SER 5 18.689 11.656 -10.127 30 HG SER 5 HG SER 5 21.109 10.509 -10.925 31 H MET 6 H MET 6 18.842 9.008 -6.535 32 HA MET 6 HA MET 6 15.973 8.953 -7.165 33 HB2 MET 6 HB2 MET 6 17.556 7.213 -5.261 34 HB3 MET 6 HB3 MET 6 15.842 7.049 -5.611 35 HG2 MET 6 HG2 MET 6 18.076 6.701 -7.598 36 HG3 MET 6 HG3 MET 6 17.190 5.399 -6.806 37 HE1 MET 6 HE1 MET 6 17.533 5.845 -10.079 38 HE2 MET 6 HE2 MET 6 15.935 5.248 -10.527 39 HE3 MET 6 HE3 MET 6 16.856 4.438 -9.259 40 H ALA 7 H ALA 7 14.466 9.742 -5.749 41 HA ALA 7 HA ALA 7 15.304 10.656 -3.114 42 HB1 ALA 7 HB1 ALA 7 14.263 12.913 -3.544 43 HB2 ALA 7 HB2 ALA 7 14.284 12.506 -5.259 44 HB3 ALA 7 HB3 ALA 7 15.798 12.614 -4.361 45 H GLY 8 H GLY 8 13.531 11.151 -1.706 46 HA2 GLY 8 HA2 GLY 8 11.257 11.202 -1.095 47 HA3 GLY 8 HA3 GLY 8 10.842 10.528 -2.663 48 H ASN 9 H ASN 9 13.244 8.597 -1.838 49 HA ASN 9 HA ASN 9 11.452 6.557 -0.805 50 HB2 ASN 9 HB2 ASN 9 13.116 6.169 -2.691 51 HB3 ASN 9 HB3 ASN 9 14.382 6.247 -1.468 52 HD21 ASN 9 HD21 ASN 9 15.075 4.186 -1.515 53 HD22 ASN 9 HD22 ASN 9 14.097 2.820 -1.119 54 H CYS 10 H CYS 10 11.222 7.681 1.288 55 HA CYS 10 HA CYS 10 13.065 6.582 3.215 56 HB2 CYS 10 HB2 CYS 10 13.633 8.705 4.287 57 HB3 CYS 10 HB3 CYS 10 14.192 8.693 2.617 58 HG CYS 10 HG CYS 10 11.176 9.982 2.709 59 H GLY 11 H GLY 11 12.342 7.136 5.494 60 HA2 GLY 11 HA2 GLY 11 10.631 7.752 7.015 61 HA3 GLY 11 HA3 GLY 11 9.506 7.847 5.669 62 H ALA 12 H ALA 12 8.802 6.569 7.995 63 HA ALA 12 HA ALA 12 8.375 3.861 7.015 64 HB1 ALA 12 HB1 ALA 12 8.935 3.712 9.837 65 HB2 ALA 12 HB2 ALA 12 10.324 4.360 8.965 66 HB3 ALA 12 HB3 ALA 12 9.645 2.798 8.506 67 H ARG 13 H ARG 13 6.500 2.893 7.854 68 HA ARG 13 HA ARG 13 4.414 4.646 8.544 69 HB2 ARG 13 HB2 ARG 13 4.019 2.539 7.372 70 HB3 ARG 13 HB3 ARG 13 4.555 1.634 8.782 71 HG2 ARG 13 HG2 ARG 13 2.149 1.614 8.649 72 HG3 ARG 13 HG3 ARG 13 2.662 2.540 10.062 73 HD2 ARG 13 HD2 ARG 13 2.359 4.620 8.765 74 HD3 ARG 13 HD3 ARG 13 1.773 3.664 7.407 75 HE ARG 13 HE ARG 13 -0.234 3.386 8.492 76 HH11 ARG 13 HH11 ARG 13 2.105 4.757 10.692 77 HH12 ARG 13 HH12 ARG 13 0.930 5.128 11.910 78 HH21 ARG 13 HH21 ARG 13 -1.782 3.866 10.085 79 HH22 ARG 13 HH22 ARG 13 -1.286 4.619 11.564 80 H GLY 14 H GLY 14 6.264 2.342 10.526 81 HA2 GLY 14 HA2 GLY 14 6.483 3.764 12.816 82 HA3 GLY 14 HA3 GLY 14 4.859 3.104 12.931 83 H ALA 15 H ALA 15 6.661 2.456 14.845 84 HA ALA 15 HA ALA 15 8.172 0.122 14.376 85 HB1 ALA 15 HB1 ALA 15 8.238 -0.097 16.816 86 HB2 ALA 15 HB2 ALA 15 6.993 1.144 16.956 87 HB3 ALA 15 HB3 ALA 15 8.577 1.554 16.297 88 H LEU 16 H LEU 16 4.843 0.596 15.447 89 HA LEU 16 HA LEU 16 4.448 -2.319 15.400 90 HB2 LEU 16 HB2 LEU 16 2.756 -0.189 16.714 91 HB3 LEU 16 HB3 LEU 16 2.440 -1.912 16.758 92 HG LEU 16 HG LEU 16 4.848 -0.552 17.974 93 HD11 LEU 16 HD11 LEU 16 3.822 -1.052 20.111 94 HD12 LEU 16 HD12 LEU 16 2.431 -1.772 19.300 95 HD13 LEU 16 HD13 LEU 16 2.747 -0.044 19.142 96 HD21 LEU 16 HD21 LEU 16 5.529 -2.724 17.398 97 HD22 LEU 16 HD22 LEU 16 3.969 -3.421 17.836 98 HD23 LEU 16 HD23 LEU 16 5.055 -2.833 19.095 99 H SER 17 H SER 17 2.696 -3.204 14.264 100 HA SER 17 HA SER 17 1.910 -1.681 11.944 101 HB2 SER 17 HB2 SER 17 0.655 -3.909 11.474 102 HB3 SER 17 HB3 SER 17 2.421 -3.903 11.434 103 HG SER 17 HG SER 17 0.764 -5.298 13.035 104 H ALA 18 H ALA 18 0.317 -0.247 12.146 105 HA ALA 18 HA ALA 18 -1.908 -0.716 13.964 106 HB1 ALA 18 HB1 ALA 18 -0.894 1.499 13.925 107 HB2 ALA 18 HB2 ALA 18 -2.577 1.575 13.401 108 HB3 ALA 18 HB3 ALA 18 -1.278 1.659 12.210 109 H HIS 19 H HIS 19 -1.157 -1.418 10.817 110 HA HIS 19 HA HIS 19 -3.931 -1.287 9.889 111 HB2 HIS 19 HB2 HIS 19 -1.337 -1.535 8.372 112 HB3 HIS 19 HB3 HIS 19 -2.912 -1.752 7.617 113 HD2 HIS 19 HD2 HIS 19 -0.462 1.007 8.399 114 HE1 HIS 19 HE1 HIS 19 -4.119 2.938 7.593 115 H THR 20 H THR 20 -2.704 -3.393 11.700 116 HA THR 20 HA THR 20 -2.495 -5.778 10.149 117 HB THR 20 HB THR 20 -3.128 -5.571 13.101 118 HG1 THR 20 HG1 THR 20 -1.208 -4.630 13.117 119 HG21 THR 20 HG21 THR 20 -3.344 -7.807 11.870 120 HG22 THR 20 HG22 THR 20 -2.308 -7.771 13.297 121 HG23 THR 20 HG23 THR 20 -1.591 -7.739 11.688 122 H LEU 21 H LEU 21 -4.134 -6.730 9.108 123 HA LEU 21 HA LEU 21 -6.533 -7.505 10.436 124 HB2 LEU 21 HB2 LEU 21 -6.608 -4.981 9.223 125 HB3 LEU 21 HB3 LEU 21 -7.430 -6.053 8.105 126 HG LEU 21 HG LEU 21 -8.296 -6.426 10.872 127 HD11 LEU 21 HD11 LEU 21 -8.565 -3.730 9.567 128 HD12 LEU 21 HD12 LEU 21 -7.934 -4.112 11.169 129 HD13 LEU 21 HD13 LEU 21 -9.655 -4.301 10.832 130 HD21 LEU 21 HD21 LEU 21 -10.511 -6.218 9.794 131 HD22 LEU 21 HD22 LEU 21 -9.475 -7.407 9.005 132 HD23 LEU 21 HD23 LEU 21 -9.708 -5.818 8.276 133 H LEU 22 H LEU 22 -7.966 -8.784 8.966 134 HA LEU 22 HA LEU 22 -6.441 -10.620 7.468 135 HB2 LEU 22 HB2 LEU 22 -8.462 -11.262 8.636 136 HB3 LEU 22 HB3 LEU 22 -9.424 -10.216 7.610 137 HG LEU 22 HG LEU 22 -8.843 -11.636 5.660 138 HD11 LEU 22 HD11 LEU 22 -7.945 -13.947 6.274 139 HD12 LEU 22 HD12 LEU 22 -7.372 -13.194 7.762 140 HD13 LEU 22 HD13 LEU 22 -6.790 -12.617 6.201 141 HD21 LEU 22 HD21 LEU 22 -10.930 -12.093 6.630 142 HD22 LEU 22 HD22 LEU 22 -10.203 -12.857 8.044 143 HD23 LEU 22 HD23 LEU 22 -10.147 -13.666 6.477 144 H PHE 23 H PHE 23 -8.826 -8.194 6.303 145 HA PHE 23 HA PHE 23 -8.198 -8.852 3.549 146 HB2 PHE 23 HB2 PHE 23 -10.023 -6.755 4.741 147 HB3 PHE 23 HB3 PHE 23 -9.829 -7.028 3.012 148 HD1 PHE 23 HD1 PHE 23 -11.381 -8.173 6.070 149 HD2 PHE 23 HD2 PHE 23 -10.567 -9.169 2.012 150 HE1 PHE 23 HE1 PHE 23 -13.119 -9.913 6.151 151 HE2 PHE 23 HE2 PHE 23 -12.305 -10.909 2.087 152 HZ PHE 23 HZ PHE 23 -13.583 -11.284 4.157 153 H ASP 24 H ASP 24 -7.551 -6.296 5.816 154 HA ASP 24 HA ASP 24 -5.804 -4.999 3.849 155 HB2 ASP 24 HB2 ASP 24 -5.868 -3.031 5.514 156 HB3 ASP 24 HB3 ASP 24 -7.279 -3.300 4.502 157 H LEU 25 H LEU 25 -4.394 -6.803 4.377 158 HA LEU 25 HA LEU 25 -3.235 -7.470 6.747 159 HB2 LEU 25 HB2 LEU 25 -1.913 -7.209 4.049 160 HB3 LEU 25 HB3 LEU 25 -1.216 -8.066 5.412 161 HG LEU 25 HG LEU 25 -3.836 -8.795 4.099 162 HD11 LEU 25 HD11 LEU 25 -1.241 -10.284 3.863 163 HD12 LEU 25 HD12 LEU 25 -1.759 -9.080 2.683 164 HD13 LEU 25 HD13 LEU 25 -2.734 -10.524 2.954 165 HD21 LEU 25 HD21 LEU 25 -3.141 -11.002 5.372 166 HD22 LEU 25 HD22 LEU 25 -4.038 -9.715 6.178 167 HD23 LEU 25 HD23 LEU 25 -2.296 -9.854 6.410 168 HA PRO 26 HA PRO 26 -0.775 -4.426 8.785 169 HB2 PRO 26 HB2 PRO 26 1.764 -5.678 8.267 170 HB3 PRO 26 HB3 PRO 26 0.824 -5.674 9.758 171 HG2 PRO 26 HG2 PRO 26 0.981 -7.720 7.639 172 HG3 PRO 26 HG3 PRO 26 0.542 -7.897 9.346 173 HD2 PRO 26 HD2 PRO 26 -1.290 -8.099 7.404 174 HD3 PRO 26 HD3 PRO 26 -1.676 -7.333 8.960 175 HA PRO 27 HA PRO 27 0.929 -1.273 6.279 176 HB2 PRO 27 HB2 PRO 27 3.428 -1.463 7.893 177 HB3 PRO 27 HB3 PRO 27 2.462 -0.043 7.460 178 HG2 PRO 27 HG2 PRO 27 2.287 -1.101 9.878 179 HG3 PRO 27 HG3 PRO 27 0.846 -0.491 9.049 180 HD2 PRO 27 HD2 PRO 27 1.712 -3.304 9.517 181 HD3 PRO 27 HD3 PRO 27 0.077 -2.621 9.428 182 H ALA 28 H ALA 28 2.542 -4.282 6.393 183 HA ALA 28 HA ALA 28 4.837 -3.826 4.895 184 HB1 ALA 28 HB1 ALA 28 4.787 -5.977 5.648 185 HB2 ALA 28 HB2 ALA 28 4.195 -6.252 4.009 186 HB3 ALA 28 HB3 ALA 28 3.058 -6.157 5.352 187 H LEU 29 H LEU 29 1.461 -4.200 3.843 188 HA LEU 29 HA LEU 29 2.376 -3.694 1.096 189 HB2 LEU 29 HB2 LEU 29 0.697 -5.631 1.960 190 HB3 LEU 29 HB3 LEU 29 -0.454 -4.385 1.506 191 HG LEU 29 HG LEU 29 0.461 -4.304 -0.741 192 HD11 LEU 29 HD11 LEU 29 2.082 -6.559 -0.913 193 HD12 LEU 29 HD12 LEU 29 2.641 -5.710 0.524 194 HD13 LEU 29 HD13 LEU 29 2.590 -4.877 -1.027 195 HD21 LEU 29 HD21 LEU 29 0.204 -7.070 -0.951 196 HD22 LEU 29 HD22 LEU 29 -1.070 -5.864 -1.125 197 HD23 LEU 29 HD23 LEU 29 -0.779 -6.621 0.442 198 H LEU 30 H LEU 30 -0.778 -2.947 2.604 199 HA LEU 30 HA LEU 30 -1.177 -0.620 1.099 200 HB2 LEU 30 HB2 LEU 30 -2.665 -2.127 2.922 201 HB3 LEU 30 HB3 LEU 30 -2.557 -0.536 3.652 202 HG LEU 30 HG LEU 30 -3.658 -1.172 0.913 203 HD11 LEU 30 HD11 LEU 30 -4.969 -1.737 3.064 204 HD12 LEU 30 HD12 LEU 30 -5.778 -0.837 1.779 205 HD13 LEU 30 HD13 LEU 30 -5.173 0.009 3.204 206 HD21 LEU 30 HD21 LEU 30 -3.697 1.490 2.314 207 HD22 LEU 30 HD22 LEU 30 -4.151 1.125 0.649 208 HD23 LEU 30 HD23 LEU 30 -2.459 1.047 1.140 209 H GLY 31 H GLY 31 -0.148 -0.857 4.529 210 HA2 GLY 31 HA2 GLY 31 -0.077 1.899 5.017 211 HA3 GLY 31 HA3 GLY 31 0.836 0.696 5.905 212 H GLU 32 H GLU 32 2.677 -0.202 4.133 213 HA GLU 32 HA GLU 32 4.525 1.955 4.073 214 HB2 GLU 32 HB2 GLU 32 5.089 -0.432 4.497 215 HB3 GLU 32 HB3 GLU 32 4.804 -0.756 2.790 216 HG2 GLU 32 HG2 GLU 32 6.732 1.392 3.483 217 HG3 GLU 32 HG3 GLU 32 7.221 -0.278 3.747 218 H LEU 33 H LEU 33 2.769 0.246 1.479 219 HA LEU 33 HA LEU 33 4.127 1.615 -0.593 220 HB2 LEU 33 HB2 LEU 33 1.470 0.175 -0.633 221 HB3 LEU 33 HB3 LEU 33 2.267 0.835 -2.058 222 HG LEU 33 HG LEU 33 3.434 -1.298 -0.267 223 HD11 LEU 33 HD11 LEU 33 1.481 -2.103 -1.494 224 HD12 LEU 33 HD12 LEU 33 2.970 -2.834 -2.093 225 HD13 LEU 33 HD13 LEU 33 2.196 -1.538 -3.005 226 HD21 LEU 33 HD21 LEU 33 5.327 -0.508 -1.197 227 HD22 LEU 33 HD22 LEU 33 4.477 0.279 -2.527 228 HD23 LEU 33 HD23 LEU 33 4.790 -1.455 -2.585 229 H CYS 34 H CYS 34 1.106 2.350 1.139 230 HA CYS 34 HA CYS 34 0.439 4.507 -0.604 231 HB2 CYS 34 HB2 CYS 34 -1.312 5.056 0.907 232 HB3 CYS 34 HB3 CYS 34 -1.200 3.299 0.884 233 HG CYS 34 HG CYS 34 0.487 3.453 3.314 234 H ALA 35 H ALA 35 2.401 4.236 2.288 235 HA ALA 35 HA ALA 35 2.560 7.107 2.639 236 HB1 ALA 35 HB1 ALA 35 4.522 5.737 4.186 237 HB2 ALA 35 HB2 ALA 35 2.995 4.858 4.277 238 HB3 ALA 35 HB3 ALA 35 3.059 6.564 4.721 239 H VAL 36 H VAL 36 4.956 4.545 1.921 240 HA VAL 36 HA VAL 36 7.098 6.331 1.512 241 HB VAL 36 HB VAL 36 6.721 3.459 0.666 242 HG11 VAL 36 HG11 VAL 36 9.402 3.813 0.602 243 HG12 VAL 36 HG12 VAL 36 8.860 5.370 -0.026 244 HG13 VAL 36 HG13 VAL 36 8.369 3.877 -0.826 245 HG21 VAL 36 HG21 VAL 36 8.210 2.983 2.498 246 HG22 VAL 36 HG22 VAL 36 6.874 3.976 3.084 247 HG23 VAL 36 HG23 VAL 36 8.455 4.705 2.797 248 H LEU 37 H LEU 37 4.922 4.784 -0.873 249 HA LEU 37 HA LEU 37 6.300 5.967 -3.082 250 HB2 LEU 37 HB2 LEU 37 3.540 4.769 -2.979 251 HB3 LEU 37 HB3 LEU 37 4.386 5.229 -4.442 252 HG LEU 37 HG LEU 37 5.255 3.060 -2.532 253 HD11 LEU 37 HD11 LEU 37 3.330 2.320 -3.694 254 HD12 LEU 37 HD12 LEU 37 4.723 1.610 -4.508 255 HD13 LEU 37 HD13 LEU 37 3.903 3.001 -5.216 256 HD21 LEU 37 HD21 LEU 37 6.839 2.532 -4.402 257 HD22 LEU 37 HD22 LEU 37 7.185 4.035 -3.546 258 HD23 LEU 37 HD23 LEU 37 6.403 4.079 -5.127 259 H ASP 38 H ASP 38 3.935 7.112 -0.889 260 HA ASP 38 HA ASP 38 2.575 8.978 -2.468 261 HB2 ASP 38 HB2 ASP 38 1.842 8.411 -0.200 262 HB3 ASP 38 HB3 ASP 38 3.295 9.148 0.471 263 H SER 39 H SER 39 5.650 9.183 -0.779 264 HA SER 39 HA SER 39 6.025 11.958 -1.595 265 HB2 SER 39 HB2 SER 39 7.801 10.104 0.015 266 HB3 SER 39 HB3 SER 39 8.129 11.810 -0.291 267 HG SER 39 HG SER 39 5.626 11.337 0.724 268 H CYS 40 H CYS 40 6.151 9.274 -3.264 269 HA CYS 40 HA CYS 40 8.782 9.179 -4.317 270 HB2 CYS 40 HB2 CYS 40 7.118 7.317 -4.441 271 HB3 CYS 40 HB3 CYS 40 6.244 8.239 -5.669 272 HG CYS 40 HG CYS 40 9.054 6.439 -5.925 273 H ASP 41 H ASP 41 9.625 9.959 -6.201 274 HA ASP 41 HA ASP 41 8.057 11.924 -7.704 275 HB2 ASP 41 HB2 ASP 41 9.589 12.970 -5.891 276 HB3 ASP 41 HB3 ASP 41 10.912 12.514 -6.960 277 H GLY 42 H GLY 42 8.424 9.440 -8.615 278 HA2 GLY 42 HA2 GLY 42 8.923 8.673 -10.790 279 HA3 GLY 42 HA3 GLY 42 10.194 9.879 -10.899 280 H ALA 43 H ALA 43 10.922 8.751 -8.028 281 HA ALA 43 HA ALA 43 13.084 7.158 -8.883 282 HB1 ALA 43 HB1 ALA 43 13.735 7.116 -6.700 283 HB2 ALA 43 HB2 ALA 43 12.097 6.858 -6.099 284 HB3 ALA 43 HB3 ALA 43 12.602 8.465 -6.623 285 H LEU 44 H LEU 44 9.956 6.314 -7.498 286 HA LEU 44 HA LEU 44 10.400 3.512 -8.298 287 HB2 LEU 44 HB2 LEU 44 8.742 4.587 -5.995 288 HB3 LEU 44 HB3 LEU 44 8.744 2.916 -6.518 289 HG LEU 44 HG LEU 44 11.235 4.334 -5.559 290 HD11 LEU 44 HD11 LEU 44 9.560 4.242 -3.771 291 HD12 LEU 44 HD12 LEU 44 10.935 3.187 -3.450 292 HD13 LEU 44 HD13 LEU 44 9.411 2.502 -4.014 293 HD21 LEU 44 HD21 LEU 44 11.953 1.934 -5.220 294 HD22 LEU 44 HD22 LEU 44 11.820 2.478 -6.893 295 HD23 LEU 44 HD23 LEU 44 10.552 1.475 -6.188 296 H GLY 45 H GLY 45 8.381 6.302 -8.359 297 HA2 GLY 45 HA2 GLY 45 6.723 6.848 -9.874 298 HA3 GLY 45 HA3 GLY 45 6.816 5.213 -10.516 299 H TRP 46 H TRP 46 4.943 7.350 -8.726 300 HA TRP 46 HA TRP 46 3.680 5.770 -6.832 301 HB2 TRP 46 HB2 TRP 46 1.589 7.202 -7.431 302 HB3 TRP 46 HB3 TRP 46 3.037 8.002 -6.791 303 HD1 TRP 46 HD1 TRP 46 1.018 7.608 -10.038 304 HE1 TRP 46 HE1 TRP 46 1.694 9.493 -11.654 305 HE3 TRP 46 HE3 TRP 46 4.898 9.609 -7.377 306 HZ2 TRP 46 HZ2 TRP 46 3.609 11.561 -11.779 307 HZ3 TRP 46 HZ3 TRP 46 6.094 11.543 -8.312 308 HH2 TRP 46 HH2 TRP 46 5.463 12.498 -10.468 309 H ARG 47 H ARG 47 2.865 6.090 -10.284 310 HA ARG 47 HA ARG 47 0.938 3.940 -10.136 311 HB2 ARG 47 HB2 ARG 47 0.615 4.275 -12.535 312 HB3 ARG 47 HB3 ARG 47 0.457 5.782 -11.659 313 HG2 ARG 47 HG2 ARG 47 2.789 6.340 -12.322 314 HG3 ARG 47 HG3 ARG 47 2.811 4.869 -13.296 315 HD2 ARG 47 HD2 ARG 47 0.922 5.707 -14.602 316 HD3 ARG 47 HD3 ARG 47 0.896 7.177 -13.627 317 HE ARG 47 HE ARG 47 3.458 6.837 -14.739 318 HH11 ARG 47 HH11 ARG 47 0.200 7.636 -15.672 319 HH12 ARG 47 HH12 ARG 47 0.683 8.598 -17.029 320 HH21 ARG 47 HH21 ARG 47 4.112 8.099 -16.520 321 HH22 ARG 47 HH22 ARG 47 2.915 8.862 -17.512 322 H GLY 48 H GLY 48 4.205 3.846 -10.107 323 HA2 GLY 48 HA2 GLY 48 4.927 2.181 -12.238 324 HA3 GLY 48 HA3 GLY 48 5.752 2.243 -10.691 325 H LEU 49 H LEU 49 3.846 1.238 -8.973 326 HA LEU 49 HA LEU 49 3.961 -1.562 -9.585 327 HB2 LEU 49 HB2 LEU 49 2.554 -0.109 -7.343 328 HB3 LEU 49 HB3 LEU 49 2.791 -1.843 -7.435 329 HG LEU 49 HG LEU 49 4.986 0.228 -7.186 330 HD11 LEU 49 HD11 LEU 49 4.070 -1.839 -5.197 331 HD12 LEU 49 HD12 LEU 49 3.557 -0.152 -5.173 332 HD13 LEU 49 HD13 LEU 49 5.259 -0.559 -4.957 333 HD21 LEU 49 HD21 LEU 49 6.435 -1.761 -6.830 334 HD22 LEU 49 HD22 LEU 49 5.789 -1.643 -8.466 335 HD23 LEU 49 HD23 LEU 49 5.088 -2.787 -7.322 336 H ALA 50 H ALA 50 1.384 0.851 -9.413 337 HA ALA 50 HA ALA 50 -0.783 -0.886 -9.858 338 HB1 ALA 50 HB1 ALA 50 -0.495 2.044 -10.477 339 HB2 ALA 50 HB2 ALA 50 -1.135 1.329 -8.996 340 HB3 ALA 50 HB3 ALA 50 -2.013 1.149 -10.515 341 H GLU 51 H GLU 51 1.250 0.905 -12.113 342 HA GLU 51 HA GLU 51 -0.231 0.516 -14.430 343 HB2 GLU 51 HB2 GLU 51 1.608 2.129 -14.252 344 HB3 GLU 51 HB3 GLU 51 2.765 0.812 -14.119 345 HG2 GLU 51 HG2 GLU 51 2.218 0.089 -16.383 346 HG3 GLU 51 HG3 GLU 51 1.032 1.386 -16.517 347 H ARG 52 H ARG 52 2.422 -1.432 -13.052 348 HA ARG 52 HA ARG 52 2.427 -3.376 -15.124 349 HB2 ARG 52 HB2 ARG 52 3.496 -3.413 -12.305 350 HB3 ARG 52 HB3 ARG 52 3.672 -4.778 -13.398 351 HG2 ARG 52 HG2 ARG 52 4.988 -3.479 -14.915 352 HG3 ARG 52 HG3 ARG 52 4.681 -2.007 -13.991 353 HD2 ARG 52 HD2 ARG 52 5.913 -2.874 -12.111 354 HD3 ARG 52 HD3 ARG 52 6.113 -4.430 -12.913 355 HE ARG 52 HE ARG 52 7.839 -3.547 -14.136 356 HH11 ARG 52 HH11 ARG 52 6.056 -0.947 -12.646 357 HH12 ARG 52 HH12 ARG 52 7.239 0.258 -13.037 358 HH21 ARG 52 HH21 ARG 52 9.398 -1.973 -14.655 359 HH22 ARG 52 HH22 ARG 52 9.141 -0.326 -14.183 360 H LEU 53 H LEU 53 0.819 -3.177 -11.988 361 HA LEU 53 HA LEU 53 -0.246 -5.804 -12.023 362 HB2 LEU 53 HB2 LEU 53 -0.992 -3.321 -10.498 363 HB3 LEU 53 HB3 LEU 53 -1.831 -4.841 -10.280 364 HG LEU 53 HG LEU 53 1.135 -4.509 -9.859 365 HD11 LEU 53 HD11 LEU 53 0.768 -4.265 -7.556 366 HD12 LEU 53 HD12 LEU 53 -0.937 -4.692 -7.695 367 HD13 LEU 53 HD13 LEU 53 -0.361 -3.145 -8.316 368 HD21 LEU 53 HD21 LEU 53 0.868 -6.763 -10.111 369 HD22 LEU 53 HD22 LEU 53 -0.813 -6.737 -9.580 370 HD23 LEU 53 HD23 LEU 53 0.487 -6.618 -8.396 371 H SER 54 H SER 54 -1.583 -2.682 -13.069 372 HA SER 54 HA SER 54 -3.534 -4.149 -14.681 373 HB2 SER 54 HB2 SER 54 -4.281 -1.920 -12.770 374 HB3 SER 54 HB3 SER 54 -5.363 -2.624 -13.970 375 HG SER 54 HG SER 54 -4.246 -4.572 -12.494 376 H SER 55 H SER 55 -3.905 -3.211 -16.657 377 HA SER 55 HA SER 55 -2.573 -0.625 -17.110 378 HB2 SER 55 HB2 SER 55 -3.043 -2.901 -19.050 379 HB3 SER 55 HB3 SER 55 -2.314 -1.351 -19.471 380 HG SER 55 HG SER 55 -1.058 -2.374 -17.334 381 H SER 56 H SER 56 -3.883 1.022 -17.447 382 HA SER 56 HA SER 56 -6.131 0.820 -19.232 383 HB2 SER 56 HB2 SER 56 -7.199 0.071 -17.166 384 HB3 SER 56 HB3 SER 56 -6.584 1.482 -16.308 385 HG SER 56 HG SER 56 -8.866 1.314 -17.505 386 H TRP 57 H TRP 57 -6.699 2.810 -20.087 387 HA TRP 57 HA TRP 57 -4.797 4.939 -19.601 388 HB2 TRP 57 HB2 TRP 57 -7.018 4.620 -21.622 389 HB3 TRP 57 HB3 TRP 57 -6.001 6.053 -21.517 390 HD1 TRP 57 HD1 TRP 57 -6.121 2.649 -23.035 391 HE1 TRP 57 HE1 TRP 57 -3.906 2.142 -24.244 392 HE3 TRP 57 HE3 TRP 57 -3.306 6.522 -21.238 393 HZ2 TRP 57 HZ2 TRP 57 -1.309 3.236 -24.412 394 HZ3 TRP 57 HZ3 TRP 57 -0.965 6.719 -21.971 395 HH2 TRP 57 HH2 TRP 57 0.011 5.109 -23.526 396 H LEU 58 H LEU 58 -7.913 4.121 -18.515 397 HA LEU 58 HA LEU 58 -8.674 6.885 -17.979 398 HB2 LEU 58 HB2 LEU 58 -10.105 4.301 -17.349 399 HB3 LEU 58 HB3 LEU 58 -10.754 5.908 -17.084 400 HG LEU 58 HG LEU 58 -10.053 4.739 -19.782 401 HD11 LEU 58 HD11 LEU 58 -12.414 4.557 -20.154 402 HD12 LEU 58 HD12 LEU 58 -12.765 5.290 -18.590 403 HD13 LEU 58 HD13 LEU 58 -12.014 3.696 -18.668 404 HD21 LEU 58 HD21 LEU 58 -9.809 7.020 -20.075 405 HD22 LEU 58 HD22 LEU 58 -11.056 7.412 -18.892 406 HD23 LEU 58 HD23 LEU 58 -11.510 6.774 -20.471 407 H ASP 59 H ASP 59 -7.476 4.065 -16.311 408 HA ASP 59 HA ASP 59 -8.025 4.855 -13.668 409 HB2 ASP 59 HB2 ASP 59 -5.949 3.000 -14.816 410 HB3 ASP 59 HB3 ASP 59 -6.094 3.292 -13.087 411 H VAL 60 H VAL 60 -5.272 5.555 -15.771 412 HA VAL 60 HA VAL 60 -3.584 6.625 -13.796 413 HB VAL 60 HB VAL 60 -2.360 7.722 -15.617 414 HG11 VAL 60 HG11 VAL 60 -1.385 5.744 -15.854 415 HG12 VAL 60 HG12 VAL 60 -2.624 5.270 -17.015 416 HG13 VAL 60 HG13 VAL 60 -2.855 4.943 -15.299 417 HG21 VAL 60 HG21 VAL 60 -4.486 6.637 -17.462 418 HG22 VAL 60 HG22 VAL 60 -3.062 7.577 -17.907 419 HG23 VAL 60 HG23 VAL 60 -4.359 8.328 -16.977 420 H ASP 61 H ASP 61 -6.330 8.004 -15.409 421 HA ASP 61 HA ASP 61 -5.755 10.740 -15.029 422 HB2 ASP 61 HB2 ASP 61 -7.570 9.913 -16.497 423 HB3 ASP 61 HB3 ASP 61 -8.461 9.375 -15.076 424 H HIS 62 H HIS 62 -7.486 8.392 -13.020 425 HA HIS 62 HA HIS 62 -7.968 10.232 -10.896 426 HB2 HIS 62 HB2 HIS 62 -9.204 7.992 -11.540 427 HB3 HIS 62 HB3 HIS 62 -8.015 7.277 -10.454 428 HD2 HIS 62 HD2 HIS 62 -8.828 7.237 -7.902 429 HE1 HIS 62 HE1 HIS 62 -11.673 10.340 -8.067 430 H ILE 63 H ILE 63 -5.353 8.114 -11.759 431 HA ILE 63 HA ILE 63 -4.140 7.766 -9.256 432 HB ILE 63 HB ILE 63 -2.922 7.889 -12.018 433 HG12 ILE 63 HG12 ILE 63 -3.292 5.557 -10.125 434 HG13 ILE 63 HG13 ILE 63 -4.423 5.971 -11.413 435 HG21 ILE 63 HG21 ILE 63 -0.864 7.956 -11.194 436 HG22 ILE 63 HG22 ILE 63 -1.207 6.580 -10.144 437 HG23 ILE 63 HG23 ILE 63 -1.540 8.219 -9.585 438 HD11 ILE 63 HD11 ILE 63 -1.878 5.812 -12.596 439 HD12 ILE 63 HD12 ILE 63 -3.247 4.718 -12.794 440 HD13 ILE 63 HD13 ILE 63 -2.047 4.410 -11.540 441 H GLU 64 H GLU 64 -3.808 10.353 -11.648 442 HA GLU 64 HA GLU 64 -1.868 11.846 -10.227 443 HB2 GLU 64 HB2 GLU 64 -3.866 12.626 -12.354 444 HB3 GLU 64 HB3 GLU 64 -2.673 13.742 -11.704 445 HG2 GLU 64 HG2 GLU 64 -0.871 12.384 -12.523 446 HG3 GLU 64 HG3 GLU 64 -1.997 11.127 -13.032 447 H LYS 65 H LYS 65 -5.373 11.785 -10.162 448 HA LYS 65 HA LYS 65 -5.845 14.185 -8.794 449 HB2 LYS 65 HB2 LYS 65 -7.427 11.635 -9.015 450 HB3 LYS 65 HB3 LYS 65 -8.041 13.073 -8.210 451 HG2 LYS 65 HG2 LYS 65 -7.850 14.343 -10.268 452 HG3 LYS 65 HG3 LYS 65 -7.157 12.942 -11.088 453 HD2 LYS 65 HD2 LYS 65 -9.230 11.702 -10.736 454 HD3 LYS 65 HD3 LYS 65 -9.922 13.081 -9.890 455 HE2 LYS 65 HE2 LYS 65 -9.730 14.429 -11.918 456 HE3 LYS 65 HE3 LYS 65 -9.009 13.060 -12.762 457 HZ1 LYS 65 HZ1 LYS 65 -11.025 12.352 -13.268 458 HZ2 LYS 65 HZ2 LYS 65 -11.719 13.669 -12.462 459 HZ3 LYS 65 HZ3 LYS 65 -11.429 12.225 -11.628 460 H GLU 66 H GLU 66 -5.570 10.862 -7.378 461 HA GLU 66 HA GLU 66 -5.785 12.091 -4.745 462 HB2 GLU 66 HB2 GLU 66 -5.312 9.145 -5.012 463 HB3 GLU 66 HB3 GLU 66 -6.198 10.042 -3.794 464 HG2 GLU 66 HG2 GLU 66 -7.902 10.577 -5.586 465 HG3 GLU 66 HG3 GLU 66 -7.094 9.359 -6.572 466 H VAL 67 H VAL 67 -3.216 11.577 -6.780 467 HA VAL 67 HA VAL 67 -1.277 10.431 -5.137 468 HB VAL 67 HB VAL 67 -1.029 11.026 -7.595 469 HG11 VAL 67 HG11 VAL 67 -1.554 13.315 -7.704 470 HG12 VAL 67 HG12 VAL 67 0.187 13.219 -7.973 471 HG13 VAL 67 HG13 VAL 67 -0.435 13.718 -6.400 472 HG21 VAL 67 HG21 VAL 67 0.927 10.141 -6.954 473 HG22 VAL 67 HG22 VAL 67 0.995 11.105 -5.477 474 HG23 VAL 67 HG23 VAL 67 1.509 11.805 -7.012 475 H ASP 68 H ASP 68 -2.516 13.718 -5.168 476 HA ASP 68 HA ASP 68 -0.588 14.584 -3.163 477 HB2 ASP 68 HB2 ASP 68 -2.839 16.012 -4.586 478 HB3 ASP 68 HB3 ASP 68 -1.916 16.752 -3.282 479 H GLN 69 H GLN 69 -3.369 12.846 -3.131 480 HA GLN 69 HA GLN 69 -4.328 13.946 -0.578 481 HB2 GLN 69 HB2 GLN 69 -5.703 12.065 -2.503 482 HB3 GLN 69 HB3 GLN 69 -6.391 12.667 -1.003 483 HG2 GLN 69 HG2 GLN 69 -5.621 14.339 -3.384 484 HG3 GLN 69 HG3 GLN 69 -7.258 13.870 -2.930 485 HE21 GLN 69 HE21 GLN 69 -5.233 16.376 -2.918 486 HE22 GLN 69 HE22 GLN 69 -5.789 17.227 -1.523 487 H GLY 70 H GLY 70 -1.985 12.062 -1.067 488 HA2 GLY 70 HA2 GLY 70 -1.202 10.609 0.683 489 HA3 GLY 70 HA3 GLY 70 -2.853 10.075 0.925 490 H LYS 71 H LYS 71 -1.764 10.312 -2.326 491 HA LYS 71 HA LYS 71 -0.703 8.826 -3.756 492 HB2 LYS 71 HB2 LYS 71 0.426 7.509 -2.125 493 HB3 LYS 71 HB3 LYS 71 -1.085 6.831 -1.534 494 HG2 LYS 71 HG2 LYS 71 0.120 5.174 -2.809 495 HG3 LYS 71 HG3 LYS 71 -1.366 5.621 -3.652 496 HD2 LYS 71 HD2 LYS 71 0.582 5.396 -5.172 497 HD3 LYS 71 HD3 LYS 71 -0.118 7.013 -5.189 498 HE2 LYS 71 HE2 LYS 71 1.963 6.720 -3.204 499 HE3 LYS 71 HE3 LYS 71 2.534 6.368 -4.829 500 HZ1 LYS 71 HZ1 LYS 71 2.844 8.665 -4.457 501 HZ2 LYS 71 HZ2 LYS 71 1.268 8.872 -3.871 502 HZ3 LYS 71 HZ3 LYS 71 1.523 8.532 -5.508 503 H SER 72 H SER 72 -1.557 7.800 -5.441 504 HA SER 72 HA SER 72 -4.285 6.734 -5.223 505 HB2 SER 72 HB2 SER 72 -4.022 9.091 -6.261 506 HB3 SER 72 HB3 SER 72 -3.357 8.237 -7.643 507 HG SER 72 HG SER 72 -5.562 8.449 -7.955 508 H GLY 73 H GLY 73 -1.130 6.665 -6.756 509 HA2 GLY 73 HA2 GLY 73 -1.556 4.875 -8.819 510 HA3 GLY 73 HA3 GLY 73 -0.062 4.976 -7.886 511 H THR 74 H THR 74 -0.240 3.868 -5.663 512 HA THR 74 HA THR 74 -1.198 1.191 -6.172 513 HB THR 74 HB THR 74 0.316 2.197 -3.755 514 HG1 THR 74 HG1 THR 74 1.189 2.171 -6.173 515 HG21 THR 74 HG21 THR 74 0.390 0.068 -3.032 516 HG22 THR 74 HG22 THR 74 0.671 -0.566 -4.652 517 HG23 THR 74 HG23 THR 74 -0.971 -0.204 -4.120 518 H ARG 75 H ARG 75 -1.912 3.886 -4.015 519 HA ARG 75 HA ARG 75 -3.498 2.523 -2.142 520 HB2 ARG 75 HB2 ARG 75 -2.620 4.855 -1.863 521 HB3 ARG 75 HB3 ARG 75 -3.825 5.397 -3.018 522 HG2 ARG 75 HG2 ARG 75 -5.605 4.662 -1.562 523 HG3 ARG 75 HG3 ARG 75 -4.434 4.038 -0.404 524 HD2 ARG 75 HD2 ARG 75 -3.572 6.306 -0.075 525 HD3 ARG 75 HD3 ARG 75 -4.756 6.920 -1.229 526 HE ARG 75 HE ARG 75 -6.113 5.509 0.776 527 HH11 ARG 75 HH11 ARG 75 -4.255 8.417 0.363 528 HH12 ARG 75 HH12 ARG 75 -5.069 9.280 1.625 529 HH21 ARG 75 HH21 ARG 75 -7.194 6.620 2.450 530 HH22 ARG 75 HH22 ARG 75 -6.742 8.249 2.823 531 H GLU 76 H GLU 76 -4.456 4.246 -5.123 532 HA GLU 76 HA GLU 76 -7.226 3.857 -4.825 533 HB2 GLU 76 HB2 GLU 76 -6.326 5.487 -6.389 534 HB3 GLU 76 HB3 GLU 76 -5.586 4.210 -7.349 535 HG2 GLU 76 HG2 GLU 76 -7.902 3.328 -7.764 536 HG3 GLU 76 HG3 GLU 76 -8.517 4.773 -6.966 537 H LEU 77 H LEU 77 -4.755 1.904 -6.438 538 HA LEU 77 HA LEU 77 -6.504 0.011 -7.569 539 HB2 LEU 77 HB2 LEU 77 -4.181 0.268 -8.277 540 HB3 LEU 77 HB3 LEU 77 -3.627 -0.292 -6.710 541 HG LEU 77 HG LEU 77 -4.622 -2.506 -7.159 542 HD11 LEU 77 HD11 LEU 77 -5.564 -1.101 -9.601 543 HD12 LEU 77 HD12 LEU 77 -6.368 -2.322 -8.614 544 HD13 LEU 77 HD13 LEU 77 -5.099 -2.796 -9.743 545 HD21 LEU 77 HD21 LEU 77 -2.257 -1.664 -7.910 546 HD22 LEU 77 HD22 LEU 77 -2.925 -1.893 -9.527 547 HD23 LEU 77 HD23 LEU 77 -2.848 -3.251 -8.403 548 H LEU 78 H LEU 78 -4.756 0.015 -4.460 549 HA LEU 78 HA LEU 78 -5.690 -2.538 -3.647 550 HB2 LEU 78 HB2 LEU 78 -4.626 -0.226 -2.008 551 HB3 LEU 78 HB3 LEU 78 -4.924 -1.834 -1.369 552 HG LEU 78 HG LEU 78 -2.931 -1.146 -3.535 553 HD11 LEU 78 HD11 LEU 78 -2.335 -2.114 -0.758 554 HD12 LEU 78 HD12 LEU 78 -2.456 -0.398 -1.148 555 HD13 LEU 78 HD13 LEU 78 -1.238 -1.399 -1.939 556 HD21 LEU 78 HD21 LEU 78 -4.136 -3.639 -2.765 557 HD22 LEU 78 HD22 LEU 78 -2.407 -3.664 -2.419 558 HD23 LEU 78 HD23 LEU 78 -2.975 -3.306 -4.050 559 H TRP 79 H TRP 79 -6.898 0.740 -3.104 560 HA TRP 79 HA TRP 79 -9.037 -0.149 -1.383 561 HB2 TRP 79 HB2 TRP 79 -8.191 2.506 -2.479 562 HB3 TRP 79 HB3 TRP 79 -9.785 2.322 -1.755 563 HD1 TRP 79 HD1 TRP 79 -6.134 2.661 -0.872 564 HE1 TRP 79 HE1 TRP 79 -5.881 2.766 1.689 565 HE3 TRP 79 HE3 TRP 79 -10.900 1.386 0.470 566 HZ2 TRP 79 HZ2 TRP 79 -7.489 2.362 3.974 567 HZ3 TRP 79 HZ3 TRP 79 -11.462 1.270 2.861 568 HH2 TRP 79 HH2 TRP 79 -9.790 1.748 4.578 569 H SER 80 H SER 80 -8.647 -0.257 -4.673 570 HA SER 80 HA SER 80 -11.075 0.656 -5.704 571 HB2 SER 80 HB2 SER 80 -9.179 0.084 -7.133 572 HB3 SER 80 HB3 SER 80 -9.342 -1.617 -6.698 573 HG SER 80 HG SER 80 -11.693 -0.971 -7.543 574 H TRP 81 H TRP 81 -10.267 -2.541 -4.359 575 HA TRP 81 HA TRP 81 -12.947 -3.504 -4.925 576 HB2 TRP 81 HB2 TRP 81 -10.470 -4.728 -3.745 577 HB3 TRP 81 HB3 TRP 81 -12.030 -5.517 -3.524 578 HD1 TRP 81 HD1 TRP 81 -9.262 -5.094 -6.006 579 HE1 TRP 81 HE1 TRP 81 -9.841 -6.348 -8.178 580 HE3 TRP 81 HE3 TRP 81 -14.184 -6.118 -5.069 581 HZ2 TRP 81 HZ2 TRP 81 -12.087 -7.604 -9.341 582 HZ3 TRP 81 HZ3 TRP 81 -15.476 -7.349 -6.761 583 HH2 TRP 81 HH2 TRP 81 -14.448 -8.075 -8.854 584 H ALA 82 H ALA 82 -11.340 -4.153 -1.863 585 HA ALA 82 HA ALA 82 -13.646 -2.951 -0.480 586 HB1 ALA 82 HB1 ALA 82 -11.970 -5.344 0.073 587 HB2 ALA 82 HB2 ALA 82 -13.707 -5.112 0.262 588 HB3 ALA 82 HB3 ALA 82 -12.595 -4.443 1.454 589 H GLN 83 H GLN 83 -10.575 -3.830 0.947 590 HA GLN 83 HA GLN 83 -10.039 -0.985 1.482 591 HB2 GLN 83 HB2 GLN 83 -9.279 -3.400 3.151 592 HB3 GLN 83 HB3 GLN 83 -8.812 -1.737 3.503 593 HG2 GLN 83 HG2 GLN 83 -11.211 -1.151 3.684 594 HG3 GLN 83 HG3 GLN 83 -11.608 -2.854 3.463 595 HE21 GLN 83 HE21 GLN 83 -12.123 -3.779 5.306 596 HE22 GLN 83 HE22 GLN 83 -11.395 -3.472 6.841 597 H LYS 84 H LYS 84 -8.429 -4.141 1.139 598 HA LYS 84 HA LYS 84 -6.487 -2.843 -0.631 599 HB2 LYS 84 HB2 LYS 84 -5.123 -3.103 1.252 600 HB3 LYS 84 HB3 LYS 84 -5.905 -4.600 1.739 601 HG2 LYS 84 HG2 LYS 84 -4.731 -5.859 0.160 602 HG3 LYS 84 HG3 LYS 84 -4.267 -4.436 -0.762 603 HD2 LYS 84 HD2 LYS 84 -2.345 -5.223 0.418 604 HD3 LYS 84 HD3 LYS 84 -2.871 -3.722 1.177 605 HE2 LYS 84 HE2 LYS 84 -2.229 -5.560 2.761 606 HE3 LYS 84 HE3 LYS 84 -3.846 -4.888 3.000 607 HZ1 LYS 84 HZ1 LYS 84 -3.634 -7.207 1.236 608 HZ2 LYS 84 HZ2 LYS 84 -4.834 -6.808 2.364 609 HZ3 LYS 84 HZ3 LYS 84 -3.371 -7.483 2.886 610 H ASN 85 H ASN 85 -7.958 -5.845 0.486 611 HA ASN 85 HA ASN 85 -8.436 -7.839 -0.491 612 HB2 ASN 85 HB2 ASN 85 -9.939 -6.101 -1.686 613 HB3 ASN 85 HB3 ASN 85 -8.874 -6.358 -3.067 614 HD21 ASN 85 HD21 ASN 85 -10.171 -7.459 -4.422 615 HD22 ASN 85 HD22 ASN 85 -10.919 -8.971 -4.053 616 H LYS 86 H LYS 86 -5.677 -7.172 -0.543 617 HA LYS 86 HA LYS 86 -4.831 -8.829 -2.796 618 HB2 LYS 86 HB2 LYS 86 -4.244 -6.022 -2.482 619 HB3 LYS 86 HB3 LYS 86 -2.758 -6.954 -2.372 620 HG2 LYS 86 HG2 LYS 86 -2.913 -6.459 -4.623 621 HG3 LYS 86 HG3 LYS 86 -3.571 -8.095 -4.537 622 HD2 LYS 86 HD2 LYS 86 -5.846 -6.806 -4.234 623 HD3 LYS 86 HD3 LYS 86 -4.961 -5.503 -5.031 624 HE2 LYS 86 HE2 LYS 86 -5.406 -8.294 -6.086 625 HE3 LYS 86 HE3 LYS 86 -6.163 -6.814 -6.675 626 HZ1 LYS 86 HZ1 LYS 86 -3.865 -6.023 -7.207 627 HZ2 LYS 86 HZ2 LYS 86 -4.398 -7.329 -8.137 628 HZ3 LYS 86 HZ3 LYS 86 -3.304 -7.585 -6.871 629 H THR 87 H THR 87 -2.443 -9.493 -2.422 630 HA THR 87 HA THR 87 -1.968 -9.769 0.465 631 HB THR 87 HB THR 87 -1.105 -12.027 0.131 632 HG1 THR 87 HG1 THR 87 -1.825 -12.904 -2.104 633 HG21 THR 87 HG21 THR 87 -3.145 -13.110 0.087 634 HG22 THR 87 HG22 THR 87 -3.779 -12.090 -1.203 635 HG23 THR 87 HG23 THR 87 -3.641 -11.453 0.434 636 H ILE 88 H ILE 88 0.267 -10.175 1.035 637 HA ILE 88 HA ILE 88 2.030 -8.358 -0.148 638 HB ILE 88 HB ILE 88 2.279 -10.473 1.936 639 HG12 ILE 88 HG12 ILE 88 3.115 -8.438 3.220 640 HG13 ILE 88 HG13 ILE 88 2.717 -7.484 1.799 641 HG21 ILE 88 HG21 ILE 88 4.593 -9.223 0.515 642 HG22 ILE 88 HG22 ILE 88 4.351 -10.901 0.997 643 HG23 ILE 88 HG23 ILE 88 4.709 -9.677 2.215 644 HD11 ILE 88 HD11 ILE 88 0.787 -9.117 3.428 645 HD12 ILE 88 HD12 ILE 88 0.383 -8.136 2.020 646 HD13 ILE 88 HD13 ILE 88 0.980 -7.366 3.489 647 H GLY 89 H GLY 89 1.738 -11.864 -0.570 648 HA2 GLY 89 HA2 GLY 89 4.061 -12.255 -2.104 649 HA3 GLY 89 HA3 GLY 89 2.625 -13.267 -2.165 650 H ASP 90 H ASP 90 0.796 -11.296 -3.072 651 HA ASP 90 HA ASP 90 1.178 -11.466 -5.861 652 HB2 ASP 90 HB2 ASP 90 -1.042 -11.316 -4.771 653 HB3 ASP 90 HB3 ASP 90 -0.700 -9.642 -4.345 654 H LEU 91 H LEU 91 1.575 -8.750 -3.607 655 HA LEU 91 HA LEU 91 2.276 -6.884 -5.665 656 HB2 LEU 91 HB2 LEU 91 1.835 -6.808 -2.820 657 HB3 LEU 91 HB3 LEU 91 3.287 -5.921 -3.233 658 HG LEU 91 HG LEU 91 1.360 -4.426 -3.143 659 HD11 LEU 91 HD11 LEU 91 3.209 -4.079 -4.806 660 HD12 LEU 91 HD12 LEU 91 1.678 -3.298 -5.195 661 HD13 LEU 91 HD13 LEU 91 2.148 -4.782 -6.024 662 HD21 LEU 91 HD21 LEU 91 -0.118 -5.033 -5.425 663 HD22 LEU 91 HD22 LEU 91 -0.630 -5.221 -3.746 664 HD23 LEU 91 HD23 LEU 91 0.096 -6.580 -4.604 665 H LEU 92 H LEU 92 4.076 -9.133 -3.694 666 HA LEU 92 HA LEU 92 6.624 -7.988 -3.897 667 HB2 LEU 92 HB2 LEU 92 5.746 -10.846 -3.621 668 HB3 LEU 92 HB3 LEU 92 7.442 -10.398 -3.672 669 HG LEU 92 HG LEU 92 5.469 -9.383 -1.622 670 HD11 LEU 92 HD11 LEU 92 7.018 -11.863 -1.793 671 HD12 LEU 92 HD12 LEU 92 5.621 -11.459 -0.796 672 HD13 LEU 92 HD13 LEU 92 7.237 -10.970 -0.288 673 HD21 LEU 92 HD21 LEU 92 7.066 -7.880 -1.229 674 HD22 LEU 92 HD22 LEU 92 8.195 -8.682 -2.319 675 HD23 LEU 92 HD23 LEU 92 8.058 -9.214 -0.645 676 H GLN 93 H GLN 93 4.791 -9.895 -6.175 677 HA GLN 93 HA GLN 93 6.847 -10.633 -7.936 678 HB2 GLN 93 HB2 GLN 93 3.913 -10.082 -8.403 679 HB3 GLN 93 HB3 GLN 93 4.978 -10.761 -9.627 680 HG2 GLN 93 HG2 GLN 93 5.416 -12.683 -8.210 681 HG3 GLN 93 HG3 GLN 93 4.396 -11.998 -6.944 682 HE21 GLN 93 HE21 GLN 93 2.444 -12.809 -6.858 683 HE22 GLN 93 HE22 GLN 93 1.546 -13.462 -8.184 684 H VAL 94 H VAL 94 4.819 -7.697 -7.851 685 HA VAL 94 HA VAL 94 6.227 -6.607 -10.141 686 HB VAL 94 HB VAL 94 4.801 -4.575 -9.777 687 HG11 VAL 94 HG11 VAL 94 2.832 -5.578 -10.708 688 HG12 VAL 94 HG12 VAL 94 3.262 -7.153 -10.043 689 HG13 VAL 94 HG13 VAL 94 4.241 -6.441 -11.325 690 HG21 VAL 94 HG21 VAL 94 3.462 -4.325 -8.005 691 HG22 VAL 94 HG22 VAL 94 4.376 -5.641 -7.268 692 HG23 VAL 94 HG23 VAL 94 2.868 -5.981 -8.117 693 H LEU 95 H LEU 95 6.416 -6.450 -6.697 694 HA LEU 95 HA LEU 95 7.740 -3.989 -6.370 695 HB2 LEU 95 HB2 LEU 95 7.339 -6.426 -4.793 696 HB3 LEU 95 HB3 LEU 95 8.851 -5.618 -4.445 697 HG LEU 95 HG LEU 95 7.758 -3.666 -3.675 698 HD11 LEU 95 HD11 LEU 95 5.418 -4.743 -5.159 699 HD12 LEU 95 HD12 LEU 95 6.064 -3.102 -5.098 700 HD13 LEU 95 HD13 LEU 95 5.132 -3.733 -3.742 701 HD21 LEU 95 HD21 LEU 95 6.428 -4.473 -1.860 702 HD22 LEU 95 HD22 LEU 95 7.703 -5.651 -2.171 703 HD23 LEU 95 HD23 LEU 95 6.058 -5.964 -2.726 704 H GLN 96 H GLN 96 8.957 -7.248 -7.000 705 HA GLN 96 HA GLN 96 11.707 -6.599 -6.942 706 HB2 GLN 96 HB2 GLN 96 10.198 -8.848 -8.284 707 HB3 GLN 96 HB3 GLN 96 11.953 -8.737 -8.271 708 HG2 GLN 96 HG2 GLN 96 11.938 -8.819 -5.827 709 HG3 GLN 96 HG3 GLN 96 10.179 -8.941 -5.848 710 HE21 GLN 96 HE21 GLN 96 9.731 -10.928 -5.188 711 HE22 GLN 96 HE22 GLN 96 10.412 -12.380 -5.832 712 H GLU 97 H GLU 97 9.311 -6.662 -9.537 713 HA GLU 97 HA GLU 97 11.072 -6.198 -11.691 714 HB2 GLU 97 HB2 GLU 97 8.131 -5.613 -11.319 715 HB3 GLU 97 HB3 GLU 97 8.966 -5.345 -12.842 716 HG2 GLU 97 HG2 GLU 97 8.663 -7.986 -11.421 717 HG3 GLU 97 HG3 GLU 97 7.777 -7.461 -12.851 718 H MET 98 H MET 98 9.197 -3.992 -9.650 719 HA MET 98 HA MET 98 10.055 -1.625 -10.983 720 HB2 MET 98 HB2 MET 98 7.967 -1.843 -9.604 721 HB3 MET 98 HB3 MET 98 8.984 -1.851 -8.169 722 HG2 MET 98 HG2 MET 98 8.070 0.352 -8.540 723 HG3 MET 98 HG3 MET 98 9.820 0.374 -8.755 724 HE1 MET 98 HE1 MET 98 11.038 0.941 -10.649 725 HE2 MET 98 HE2 MET 98 10.231 2.503 -10.500 726 HE3 MET 98 HE3 MET 98 10.406 1.749 -12.085 727 H GLY 99 H GLY 99 11.191 -3.381 -8.139 728 HA2 GLY 99 HA2 GLY 99 13.462 -3.346 -7.431 729 HA3 GLY 99 HA3 GLY 99 13.660 -1.793 -8.236 730 H HIS 100 H HIS 100 10.988 -2.613 -6.127 731 HA HIS 100 HA HIS 100 11.439 -0.284 -4.511 732 HB2 HIS 100 HB2 HIS 100 9.202 -1.519 -5.184 733 HB3 HIS 100 HB3 HIS 100 9.522 -2.428 -3.710 734 HD2 HIS 100 HD2 HIS 100 7.179 0.059 -4.342 735 HE1 HIS 100 HE1 HIS 100 9.033 1.656 -0.915 736 H ARG 101 H ARG 101 13.471 -0.675 -3.591 737 HA ARG 101 HA ARG 101 14.172 -2.923 -2.053 738 HB2 ARG 101 HB2 ARG 101 15.160 -0.080 -2.075 739 HB3 ARG 101 HB3 ARG 101 15.905 -1.340 -1.096 740 HG2 ARG 101 HG2 ARG 101 16.425 -2.614 -3.107 741 HG3 ARG 101 HG3 ARG 101 15.651 -1.377 -4.098 742 HD2 ARG 101 HD2 ARG 101 17.283 0.269 -3.320 743 HD3 ARG 101 HD3 ARG 101 18.051 -0.962 -2.317 744 HE ARG 101 HE ARG 101 18.000 -1.889 -4.954 745 HH11 ARG 101 HH11 ARG 101 19.489 0.630 -3.067 746 HH12 ARG 101 HH12 ARG 101 20.906 0.719 -4.059 747 HH21 ARG 101 HH21 ARG 101 19.861 -1.788 -6.268 748 HH22 ARG 101 HH22 ARG 101 21.116 -0.655 -5.886 749 H ARG 102 H ARG 102 12.717 0.172 -1.122 750 HA ARG 102 HA ARG 102 12.912 -0.189 1.669 751 HB2 ARG 102 HB2 ARG 102 12.488 1.996 0.559 752 HB3 ARG 102 HB3 ARG 102 10.863 1.449 0.169 753 HG2 ARG 102 HG2 ARG 102 10.811 2.873 2.117 754 HG3 ARG 102 HG3 ARG 102 10.382 1.218 2.570 755 HD2 ARG 102 HD2 ARG 102 12.565 0.831 3.474 756 HD3 ARG 102 HD3 ARG 102 13.154 2.371 2.849 757 HE ARG 102 HE ARG 102 11.065 3.013 4.508 758 HH11 ARG 102 HH11 ARG 102 14.080 1.297 4.834 759 HH12 ARG 102 HH12 ARG 102 14.308 1.745 6.491 760 HH21 ARG 102 HH21 ARG 102 11.354 3.622 6.678 761 HH22 ARG 102 HH22 ARG 102 12.752 3.071 7.544 762 H ALA 103 H ALA 103 10.397 -1.038 -0.652 763 HA ALA 103 HA ALA 103 8.398 -1.793 1.180 764 HB1 ALA 103 HB1 ALA 103 7.220 -2.502 -0.616 765 HB2 ALA 103 HB2 ALA 103 8.592 -3.356 -1.323 766 HB3 ALA 103 HB3 ALA 103 8.460 -1.605 -1.494 767 H ILE 104 H ILE 104 11.109 -3.583 -0.206 768 HA ILE 104 HA ILE 104 10.436 -6.139 0.750 769 HB ILE 104 HB ILE 104 13.126 -4.903 0.133 770 HG12 ILE 104 HG12 ILE 104 11.539 -6.974 -1.398 771 HG13 ILE 104 HG13 ILE 104 11.435 -5.245 -1.715 772 HG21 ILE 104 HG21 ILE 104 12.621 -7.281 1.590 773 HG22 ILE 104 HG22 ILE 104 14.166 -6.665 1.002 774 HG23 ILE 104 HG23 ILE 104 13.206 -7.747 -0.008 775 HD11 ILE 104 HD11 ILE 104 14.174 -6.178 -1.695 776 HD12 ILE 104 HD12 ILE 104 13.292 -5.272 -2.925 777 HD13 ILE 104 HD13 ILE 104 13.182 -7.032 -2.878 778 H HIS 105 H HIS 105 12.338 -3.517 2.189 779 HA HIS 105 HA HIS 105 13.133 -4.852 4.529 780 HB2 HIS 105 HB2 HIS 105 14.147 -2.748 3.788 781 HB3 HIS 105 HB3 HIS 105 12.632 -1.900 4.070 782 HD2 HIS 105 HD2 HIS 105 12.430 -0.792 6.509 783 HE1 HIS 105 HE1 HIS 105 15.532 -2.902 8.427 784 H LEU 106 H LEU 106 10.306 -2.766 3.913 785 HA LEU 106 HA LEU 106 9.269 -3.126 6.570 786 HB2 LEU 106 HB2 LEU 106 8.803 -1.385 4.407 787 HB3 LEU 106 HB3 LEU 106 7.277 -2.182 4.730 788 HG LEU 106 HG LEU 106 7.106 -0.321 6.076 789 HD11 LEU 106 HD11 LEU 106 6.917 -1.127 8.174 790 HD12 LEU 106 HD12 LEU 106 8.558 -1.772 8.195 791 HD13 LEU 106 HD13 LEU 106 7.273 -2.658 7.373 792 HD21 LEU 106 HD21 LEU 106 9.117 0.795 5.782 793 HD22 LEU 106 HD22 LEU 106 10.074 -0.559 6.384 794 HD23 LEU 106 HD23 LEU 106 9.129 0.420 7.506 795 H ILE 107 H ILE 107 8.916 -4.859 3.595 796 HA ILE 107 HA ILE 107 6.375 -5.990 4.014 797 HB ILE 107 HB ILE 107 7.970 -6.039 1.907 798 HG12 ILE 107 HG12 ILE 107 6.631 -8.226 1.250 799 HG13 ILE 107 HG13 ILE 107 5.793 -7.875 2.759 800 HG21 ILE 107 HG21 ILE 107 9.697 -7.454 2.840 801 HG22 ILE 107 HG22 ILE 107 8.888 -8.293 1.515 802 HG23 ILE 107 HG23 ILE 107 8.512 -8.715 3.186 803 HD11 ILE 107 HD11 ILE 107 5.236 -5.648 1.928 804 HD12 ILE 107 HD12 ILE 107 4.632 -6.913 0.858 805 HD13 ILE 107 HD13 ILE 107 6.077 -6.003 0.419 806 H THR 108 H THR 108 9.371 -6.596 5.544 807 HA THR 108 HA THR 108 8.984 -9.294 6.323 808 HB THR 108 HB THR 108 10.726 -8.877 8.009 809 HG1 THR 108 HG1 THR 108 10.974 -6.206 7.122 810 HG21 THR 108 HG21 THR 108 11.609 -9.391 5.890 811 HG22 THR 108 HG22 THR 108 12.484 -7.945 6.393 812 HG23 THR 108 HG23 THR 108 11.166 -7.819 5.227 813 H ASN 109 H ASN 109 7.444 -6.439 7.285 814 HA ASN 109 HA ASN 109 6.908 -7.059 10.014 815 HB2 ASN 109 HB2 ASN 109 6.723 -4.774 9.096 816 HB3 ASN 109 HB3 ASN 109 5.368 -5.287 8.098 817 HD21 ASN 109 HD21 ASN 109 6.436 -5.036 11.457 818 HD22 ASN 109 HD22 ASN 109 4.867 -4.742 12.114 819 H TYR 110 H TYR 110 5.501 -8.021 6.991 820 HA TYR 110 HA TYR 110 3.000 -8.936 8.011 821 HB2 TYR 110 HB2 TYR 110 3.179 -8.429 5.665 822 HB3 TYR 110 HB3 TYR 110 4.516 -9.553 5.468 823 HD1 TYR 110 HD1 TYR 110 0.886 -9.450 6.355 824 HD2 TYR 110 HD2 TYR 110 4.108 -11.724 4.753 825 HE1 TYR 110 HE1 TYR 110 -0.689 -11.220 5.704 826 HE2 TYR 110 HE2 TYR 110 2.537 -13.497 4.098 827 HH TYR 110 HH TYR 110 -0.174 -14.069 5.232 828 H GLY 111 H GLY 111 2.504 -10.794 9.014 829 HA2 GLY 111 HA2 GLY 111 4.654 -12.644 9.625 830 HA3 GLY 111 HA3 GLY 111 3.038 -12.659 10.316 831 H ALA 112 H ALA 112 4.839 -14.726 8.977 832 HA ALA 112 HA ALA 112 3.319 -15.513 6.645 833 HB1 ALA 112 HB1 ALA 112 4.880 -17.524 6.739 834 HB2 ALA 112 HB2 ALA 112 5.697 -16.684 8.056 835 HB3 ALA 112 HB3 ALA 112 5.617 -15.947 6.457 836 H VAL 113 H VAL 113 2.701 -15.735 9.837 837 HA VAL 113 HA VAL 113 1.960 -18.410 10.268 838 HB VAL 113 HB VAL 113 0.912 -15.861 11.509 839 HG11 VAL 113 HG11 VAL 113 0.599 -18.288 13.084 840 HG12 VAL 113 HG12 VAL 113 -0.367 -18.297 11.608 841 HG13 VAL 113 HG13 VAL 113 -0.546 -16.984 12.773 842 HG21 VAL 113 HG21 VAL 113 2.602 -15.984 12.987 843 HG22 VAL 113 HG22 VAL 113 3.378 -16.957 11.738 844 HG23 VAL 113 HG23 VAL 113 2.537 -17.744 13.072 845 H LEU 114 H LEU 114 0.093 -15.643 9.041 846 HA LEU 114 HA LEU 114 -2.068 -17.514 8.340 847 HB2 LEU 114 HB2 LEU 114 -2.194 -14.516 8.686 848 HB3 LEU 114 HB3 LEU 114 -3.543 -15.545 8.250 849 HG LEU 114 HG LEU 114 -2.048 -15.655 10.872 850 HD11 LEU 114 HD11 LEU 114 -3.430 -13.617 10.532 851 HD12 LEU 114 HD12 LEU 114 -3.986 -14.645 11.854 852 HD13 LEU 114 HD13 LEU 114 -4.835 -14.660 10.308 853 HD21 LEU 114 HD21 LEU 114 -2.864 -17.822 10.480 854 HD22 LEU 114 HD22 LEU 114 -4.359 -17.221 9.762 855 HD23 LEU 114 HD23 LEU 114 -4.086 -17.057 11.497 856 H SER 115 H SER 115 -2.581 -17.816 6.256 857 HA SER 115 HA SER 115 -1.402 -16.002 4.258 858 HB2 SER 115 HB2 SER 115 -1.643 -19.014 4.050 859 HB3 SER 115 HB3 SER 115 -1.035 -17.945 2.787 860 HG SER 115 HG SER 115 0.178 -17.701 5.265 861 HA PRO 116 HA PRO 116 -5.916 -16.142 3.450 862 HB2 PRO 116 HB2 PRO 116 -6.177 -13.570 2.701 863 HB3 PRO 116 HB3 PRO 116 -6.101 -14.049 4.401 864 HG2 PRO 116 HG2 PRO 116 -3.950 -12.924 2.651 865 HG3 PRO 116 HG3 PRO 116 -4.343 -12.528 4.334 866 HD2 PRO 116 HD2 PRO 116 -2.310 -14.206 3.608 867 HD3 PRO 116 HD3 PRO 116 -3.170 -14.319 5.155 868 H SER 117 H SER 117 -4.681 -17.508 1.666 869 HA SER 117 HA SER 117 -4.132 -16.339 -0.840 870 HB2 SER 117 HB2 SER 117 -4.242 -18.643 -1.713 871 HB3 SER 117 HB3 SER 117 -3.307 -18.560 -0.221 872 HG SER 117 HG SER 117 -4.623 -20.189 0.224 873 H GLU 118 H GLU 118 -7.086 -17.548 0.593 874 HA GLU 118 HA GLU 118 -9.270 -17.477 -0.014 875 HB2 GLU 118 HB2 GLU 118 -8.284 -15.207 -1.747 876 HB3 GLU 118 HB3 GLU 118 -9.980 -15.578 -1.471 877 HG2 GLU 118 HG2 GLU 118 -9.687 -15.159 0.918 878 HG3 GLU 118 HG3 GLU 118 -7.983 -14.799 0.646 879 H LYS 119 H LYS 119 -7.777 -19.425 -1.306 880 HA LYS 119 HA LYS 119 -8.073 -19.503 -4.098 881 HB2 LYS 119 HB2 LYS 119 -7.855 -21.711 -2.052 882 HB3 LYS 119 HB3 LYS 119 -7.886 -22.013 -3.782 883 HG2 LYS 119 HG2 LYS 119 -5.837 -20.316 -2.369 884 HG3 LYS 119 HG3 LYS 119 -5.611 -22.002 -2.834 885 HD2 LYS 119 HD2 LYS 119 -6.246 -19.785 -4.780 886 HD3 LYS 119 HD3 LYS 119 -4.613 -20.345 -4.418 887 HE2 LYS 119 HE2 LYS 119 -5.272 -22.616 -5.149 888 HE3 LYS 119 HE3 LYS 119 -6.856 -21.983 -5.596 889 HZ1 LYS 119 HZ1 LYS 119 -5.745 -20.483 -7.162 890 HZ2 LYS 119 HZ2 LYS 119 -5.440 -22.108 -7.521 891 HZ3 LYS 119 HZ3 LYS 119 -4.250 -21.172 -6.766 892 H SER 120 H SER 120 -10.207 -20.532 -1.495 893 HA SER 120 HA SER 120 -12.398 -21.101 -1.410 894 HB2 SER 120 HB2 SER 120 -12.674 -19.799 -4.124 895 HB3 SER 120 HB3 SER 120 -13.918 -19.987 -2.887 896 HG SER 120 HG SER 120 -11.654 -18.290 -2.872 897 H TYR 121 H TYR 121 -14.070 -21.644 -3.829 898 HA TYR 121 HA TYR 121 -14.790 -23.430 -5.018 899 HB2 TYR 121 HB2 TYR 121 -11.821 -23.754 -5.457 900 HB3 TYR 121 HB3 TYR 121 -13.034 -24.727 -6.281 901 HD1 TYR 121 HD1 TYR 121 -11.457 -21.438 -6.057 902 HD2 TYR 121 HD2 TYR 121 -14.510 -23.717 -7.957 903 HE1 TYR 121 HE1 TYR 121 -11.670 -19.705 -7.787 904 HE2 TYR 121 HE2 TYR 121 -14.729 -21.987 -9.691 905 HH TYR 121 HH TYR 121 -12.670 -19.915 -10.492 906 H GLN 122 H GLN 122 -14.460 -23.802 -2.194 907 HA GLN 122 HA GLN 122 -13.470 -26.504 -1.849 908 HB2 GLN 122 HB2 GLN 122 -14.773 -24.580 0.085 909 HB3 GLN 122 HB3 GLN 122 -14.194 -26.180 0.524 910 HG2 GLN 122 HG2 GLN 122 -11.924 -25.534 -0.107 911 HG3 GLN 122 HG3 GLN 122 -12.505 -23.928 -0.541 912 HE21 GLN 122 HE21 GLN 122 -11.507 -22.693 0.939 913 HE22 GLN 122 HE22 GLN 122 -11.691 -22.863 2.648 914 H GLU 123 H GLU 123 -14.698 -28.299 -1.383 915 HA GLU 123 HA GLU 123 -16.445 -29.739 -1.550 916 HB2 GLU 123 HB2 GLU 123 -17.921 -27.329 -0.485 917 HB3 GLU 123 HB3 GLU 123 -18.659 -28.915 -0.668 918 HG2 GLU 123 HG2 GLU 123 -17.093 -29.866 0.909 919 HG3 GLU 123 HG3 GLU 123 -16.245 -28.326 1.034 920 H GLY 124 H GLY 124 -15.713 -28.473 -3.944 921 HA2 GLY 124 HA2 GLY 124 -18.271 -28.641 -5.370 922 HA3 GLY 124 HA3 GLY 124 -17.268 -27.221 -5.627 Start of MODEL 3 1 H1 SER 1 HT1 SER 1 4.546 13.211 -21.290 2 H2 SER 1 HT2 SER 1 5.976 13.166 -22.189 3 H3 SER 1 HT3 SER 1 5.929 14.009 -20.721 4 HA SER 1 HA SER 1 5.781 11.080 -21.133 5 HB2 SER 1 HB2 SER 1 7.664 12.025 -19.155 6 HB3 SER 1 HB3 SER 1 7.968 11.089 -20.622 7 HG SER 1 HG SER 1 7.414 13.577 -21.341 8 H GLU 2 H GLU 2 4.491 13.626 -19.421 9 HA GLU 2 HA GLU 2 3.210 13.837 -17.558 10 HB2 GLU 2 HB2 GLU 2 3.061 10.844 -17.898 11 HB3 GLU 2 HB3 GLU 2 2.156 11.711 -16.665 12 HG2 GLU 2 HG2 GLU 2 0.929 12.923 -18.323 13 HG3 GLU 2 HG3 GLU 2 1.945 12.279 -19.613 14 H PHE 3 H PHE 3 5.967 13.881 -17.134 15 HA PHE 3 HA PHE 3 6.222 12.561 -14.517 16 HB2 PHE 3 HB2 PHE 3 8.183 13.065 -16.688 17 HB3 PHE 3 HB3 PHE 3 8.768 13.243 -15.040 18 HD1 PHE 3 HD1 PHE 3 7.088 10.865 -17.343 19 HD2 PHE 3 HD2 PHE 3 9.339 11.377 -13.768 20 HE1 PHE 3 HE1 PHE 3 7.386 8.429 -17.184 21 HE2 PHE 3 HE2 PHE 3 9.639 8.942 -13.602 22 HZ PHE 3 HZ PHE 3 8.662 7.463 -15.312 23 H GLY 4 H GLY 4 7.061 13.740 -12.770 24 HA2 GLY 4 HA2 GLY 4 7.678 16.544 -13.058 25 HA3 GLY 4 HA3 GLY 4 6.131 16.235 -12.279 26 H SER 5 H SER 5 7.845 17.569 -10.765 27 HA SER 5 HA SER 5 9.217 15.589 -9.082 28 HB2 SER 5 HB2 SER 5 9.492 18.605 -9.159 29 HB3 SER 5 HB3 SER 5 10.404 17.526 -8.107 30 HG SER 5 HG SER 5 10.765 16.538 -10.458 31 H MET 6 H MET 6 8.341 14.999 -7.229 32 HA MET 6 HA MET 6 6.579 16.855 -5.798 33 HB2 MET 6 HB2 MET 6 5.915 13.994 -6.500 34 HB3 MET 6 HB3 MET 6 5.070 14.900 -5.255 35 HG2 MET 6 HG2 MET 6 4.495 16.597 -7.005 36 HG3 MET 6 HG3 MET 6 5.161 15.489 -8.201 37 HE1 MET 6 HE1 MET 6 4.403 13.327 -8.761 38 HE2 MET 6 HE2 MET 6 2.750 12.730 -8.611 39 HE3 MET 6 HE3 MET 6 3.908 12.459 -7.307 40 H ALA 7 H ALA 7 6.308 16.324 -3.524 41 HA ALA 7 HA ALA 7 8.308 14.480 -2.436 42 HB1 ALA 7 HB1 ALA 7 9.543 16.453 -2.274 43 HB2 ALA 7 HB2 ALA 7 8.797 16.306 -0.684 44 HB3 ALA 7 HB3 ALA 7 8.125 17.422 -1.873 45 H GLY 8 H GLY 8 7.872 13.816 -0.244 46 HA2 GLY 8 HA2 GLY 8 5.120 14.408 0.640 47 HA3 GLY 8 HA3 GLY 8 5.719 12.757 0.582 48 H ASN 9 H ASN 9 4.690 14.080 2.887 49 HA ASN 9 HA ASN 9 7.113 14.202 4.558 50 HB2 ASN 9 HB2 ASN 9 5.950 15.731 6.047 51 HB3 ASN 9 HB3 ASN 9 5.934 16.375 4.410 52 HD21 ASN 9 HD21 ASN 9 4.190 17.157 6.470 53 HD22 ASN 9 HD22 ASN 9 2.584 16.718 6.012 54 H CYS 10 H CYS 10 5.224 11.939 3.776 55 HA CYS 10 HA CYS 10 4.219 11.217 6.436 56 HB2 CYS 10 HB2 CYS 10 3.657 9.982 3.733 57 HB3 CYS 10 HB3 CYS 10 2.951 9.451 5.255 58 HG CYS 10 HG CYS 10 2.503 12.707 4.566 59 H GLY 11 H GLY 11 5.145 9.680 7.628 60 HA2 GLY 11 HA2 GLY 11 7.464 8.282 6.521 61 HA3 GLY 11 HA3 GLY 11 7.059 8.430 8.226 62 H ALA 12 H ALA 12 7.715 6.029 7.861 63 HA ALA 12 HA ALA 12 5.220 4.520 7.495 64 HB1 ALA 12 HB1 ALA 12 6.158 2.929 6.122 65 HB2 ALA 12 HB2 ALA 12 7.802 3.277 6.657 66 HB3 ALA 12 HB3 ALA 12 6.979 4.386 5.558 67 H ARG 13 H ARG 13 4.977 2.710 8.823 68 HA ARG 13 HA ARG 13 6.532 2.798 11.259 69 HB2 ARG 13 HB2 ARG 13 4.867 0.874 11.858 70 HB3 ARG 13 HB3 ARG 13 4.294 2.533 11.774 71 HG2 ARG 13 HG2 ARG 13 4.120 0.987 9.265 72 HG3 ARG 13 HG3 ARG 13 3.070 0.460 10.582 73 HD2 ARG 13 HD2 ARG 13 3.223 3.243 9.425 74 HD3 ARG 13 HD3 ARG 13 1.928 2.075 9.165 75 HE ARG 13 HE ARG 13 2.156 2.451 11.905 76 HH11 ARG 13 HH11 ARG 13 0.787 3.877 13.050 77 HH12 ARG 13 HH12 ARG 13 -0.019 5.152 12.201 78 HH21 ARG 13 HH21 ARG 13 1.331 4.313 9.082 79 HH22 ARG 13 HH22 ARG 13 0.289 5.400 9.939 80 H GLY 14 H GLY 14 8.206 1.523 11.720 81 HA2 GLY 14 HA2 GLY 14 8.565 -0.908 10.079 82 HA3 GLY 14 HA3 GLY 14 9.893 0.071 10.678 83 H ALA 15 H ALA 15 7.468 -0.219 13.010 84 HA ALA 15 HA ALA 15 8.949 -2.427 14.288 85 HB1 ALA 15 HB1 ALA 15 8.224 0.217 15.279 86 HB2 ALA 15 HB2 ALA 15 9.446 -0.916 15.855 87 HB3 ALA 15 HB3 ALA 15 7.769 -1.091 16.373 88 H LEU 16 H LEU 16 5.826 -0.765 14.785 89 HA LEU 16 HA LEU 16 4.590 -3.415 15.112 90 HB2 LEU 16 HB2 LEU 16 3.627 -0.729 16.105 91 HB3 LEU 16 HB3 LEU 16 2.820 -2.262 16.370 92 HG LEU 16 HG LEU 16 5.546 -1.519 17.441 93 HD11 LEU 16 HD11 LEU 16 3.707 -0.279 18.498 94 HD12 LEU 16 HD12 LEU 16 4.464 -1.422 19.605 95 HD13 LEU 16 HD13 LEU 16 2.907 -1.805 18.870 96 HD21 LEU 16 HD21 LEU 16 5.569 -3.847 17.175 97 HD22 LEU 16 HD22 LEU 16 3.874 -4.006 17.638 98 HD23 LEU 16 HD23 LEU 16 5.086 -3.602 18.853 99 H SER 17 H SER 17 2.706 -3.932 14.001 100 HA SER 17 HA SER 17 2.263 -2.361 11.593 101 HB2 SER 17 HB2 SER 17 0.745 -4.345 11.035 102 HB3 SER 17 HB3 SER 17 2.471 -4.687 11.178 103 HG SER 17 HG SER 17 0.627 -5.008 13.312 104 H ALA 18 H ALA 18 0.889 -0.708 11.774 105 HA ALA 18 HA ALA 18 -1.418 -0.878 13.544 106 HB1 ALA 18 HB1 ALA 18 -0.191 1.180 13.635 107 HB2 ALA 18 HB2 ALA 18 -1.759 1.506 12.895 108 HB3 ALA 18 HB3 ALA 18 -0.318 1.389 11.887 109 H HIS 19 H HIS 19 -0.683 -1.564 10.363 110 HA HIS 19 HA HIS 19 -3.437 -1.125 9.439 111 HB2 HIS 19 HB2 HIS 19 -0.898 -1.511 7.845 112 HB3 HIS 19 HB3 HIS 19 -2.503 -1.348 7.143 113 HD2 HIS 19 HD2 HIS 19 0.422 0.810 8.093 114 HE1 HIS 19 HE1 HIS 19 -2.856 3.443 7.829 115 H THR 20 H THR 20 -2.313 -3.458 11.043 116 HA THR 20 HA THR 20 -2.299 -5.679 9.239 117 HB THR 20 HB THR 20 -1.017 -5.882 11.253 118 HG1 THR 20 HG1 THR 20 -1.811 -7.888 11.957 119 HG21 THR 20 HG21 THR 20 -3.551 -5.067 12.565 120 HG22 THR 20 HG22 THR 20 -1.882 -4.660 12.971 121 HG23 THR 20 HG23 THR 20 -2.542 -6.233 13.420 122 H LEU 21 H LEU 21 -3.926 -6.764 8.416 123 HA LEU 21 HA LEU 21 -6.339 -7.364 9.811 124 HB2 LEU 21 HB2 LEU 21 -6.328 -4.947 8.343 125 HB3 LEU 21 HB3 LEU 21 -7.238 -6.101 7.389 126 HG LEU 21 HG LEU 21 -8.166 -6.351 10.049 127 HD11 LEU 21 HD11 LEU 21 -8.935 -4.090 10.532 128 HD12 LEU 21 HD12 LEU 21 -8.043 -3.481 9.136 129 HD13 LEU 21 HD13 LEU 21 -7.173 -4.170 10.506 130 HD21 LEU 21 HD21 LEU 21 -9.291 -5.238 7.495 131 HD22 LEU 21 HD22 LEU 21 -10.239 -5.321 8.982 132 HD23 LEU 21 HD23 LEU 21 -9.610 -6.799 8.255 133 H LEU 22 H LEU 22 -7.968 -8.325 7.928 134 HA LEU 22 HA LEU 22 -6.389 -10.433 6.756 135 HB2 LEU 22 HB2 LEU 22 -8.771 -10.534 7.831 136 HB3 LEU 22 HB3 LEU 22 -9.311 -10.093 6.223 137 HG LEU 22 HG LEU 22 -7.437 -12.308 6.140 138 HD11 LEU 22 HD11 LEU 22 -8.567 -13.945 7.332 139 HD12 LEU 22 HD12 LEU 22 -10.033 -12.976 7.468 140 HD13 LEU 22 HD13 LEU 22 -8.612 -12.564 8.425 141 HD21 LEU 22 HD21 LEU 22 -8.924 -11.613 4.311 142 HD22 LEU 22 HD22 LEU 22 -10.322 -12.050 5.294 143 HD23 LEU 22 HD23 LEU 22 -9.184 -13.294 4.774 144 H PHE 23 H PHE 23 -8.755 -8.133 5.323 145 HA PHE 23 HA PHE 23 -7.896 -8.740 2.657 146 HB2 PHE 23 HB2 PHE 23 -9.671 -6.564 3.768 147 HB3 PHE 23 HB3 PHE 23 -9.303 -6.712 2.053 148 HD1 PHE 23 HD1 PHE 23 -11.215 -8.029 4.837 149 HD2 PHE 23 HD2 PHE 23 -10.092 -8.659 0.779 150 HE1 PHE 23 HE1 PHE 23 -13.057 -9.641 4.581 151 HE2 PHE 23 HE2 PHE 23 -11.933 -10.269 0.517 152 HZ PHE 23 HZ PHE 23 -13.418 -10.761 2.416 153 H ASP 24 H ASP 24 -7.231 -6.270 4.998 154 HA ASP 24 HA ASP 24 -5.234 -5.092 3.212 155 HB2 ASP 24 HB2 ASP 24 -5.289 -3.161 4.951 156 HB3 ASP 24 HB3 ASP 24 -6.562 -3.267 3.745 157 H LEU 25 H LEU 25 -4.009 -7.009 3.814 158 HA LEU 25 HA LEU 25 -3.060 -7.734 6.279 159 HB2 LEU 25 HB2 LEU 25 -1.560 -7.646 3.660 160 HB3 LEU 25 HB3 LEU 25 -1.025 -8.525 5.082 161 HG LEU 25 HG LEU 25 -3.604 -9.073 3.614 162 HD11 LEU 25 HD11 LEU 25 -1.839 -9.659 2.143 163 HD12 LEU 25 HD12 LEU 25 -2.410 -11.152 2.886 164 HD13 LEU 25 HD13 LEU 25 -0.914 -10.405 3.445 165 HD21 LEU 25 HD21 LEU 25 -4.115 -10.124 5.515 166 HD22 LEU 25 HD22 LEU 25 -2.468 -10.003 6.130 167 HD23 LEU 25 HD23 LEU 25 -2.904 -11.313 5.035 168 HA PRO 26 HA PRO 26 -0.454 -4.858 8.399 169 HB2 PRO 26 HB2 PRO 26 1.966 -6.369 7.733 170 HB3 PRO 26 HB3 PRO 26 1.235 -6.059 9.305 171 HG2 PRO 26 HG2 PRO 26 1.029 -8.415 7.651 172 HG3 PRO 26 HG3 PRO 26 0.418 -8.159 9.291 173 HD2 PRO 26 HD2 PRO 26 -1.174 -8.476 7.081 174 HD3 PRO 26 HD3 PRO 26 -1.673 -7.617 8.550 175 HA PRO 27 HA PRO 27 1.391 -1.745 5.916 176 HB2 PRO 27 HB2 PRO 27 3.816 -1.994 7.634 177 HB3 PRO 27 HB3 PRO 27 2.901 -0.551 7.163 178 HG2 PRO 27 HG2 PRO 27 2.606 -1.600 9.573 179 HG3 PRO 27 HG3 PRO 27 1.211 -0.967 8.684 180 HD2 PRO 27 HD2 PRO 27 2.013 -3.795 9.183 181 HD3 PRO 27 HD3 PRO 27 0.392 -3.083 9.050 182 H ALA 28 H ALA 28 2.896 -4.789 6.104 183 HA ALA 28 HA ALA 28 5.279 -4.439 4.730 184 HB1 ALA 28 HB1 ALA 28 5.148 -6.587 5.421 185 HB2 ALA 28 HB2 ALA 28 4.485 -6.845 3.806 186 HB3 ALA 28 HB3 ALA 28 3.402 -6.668 5.186 187 H LEU 29 H LEU 29 1.952 -4.622 3.483 188 HA LEU 29 HA LEU 29 3.066 -4.200 0.791 189 HB2 LEU 29 HB2 LEU 29 1.305 -6.093 1.529 190 HB3 LEU 29 HB3 LEU 29 0.192 -4.813 1.076 191 HG LEU 29 HG LEU 29 1.155 -4.708 -1.151 192 HD11 LEU 29 HD11 LEU 29 2.722 -7.052 -1.253 193 HD12 LEU 29 HD12 LEU 29 3.312 -6.105 0.111 194 HD13 LEU 29 HD13 LEU 29 3.245 -5.385 -1.497 195 HD21 LEU 29 HD21 LEU 29 0.831 -7.453 -1.439 196 HD22 LEU 29 HD22 LEU 29 -0.421 -6.218 -1.567 197 HD23 LEU 29 HD23 LEU 29 -0.143 -7.034 -0.029 198 H LEU 30 H LEU 30 -0.164 -3.358 2.056 199 HA LEU 30 HA LEU 30 -0.374 -1.008 0.538 200 HB2 LEU 30 HB2 LEU 30 -2.315 -2.223 1.392 201 HB3 LEU 30 HB3 LEU 30 -1.858 -1.832 3.037 202 HG LEU 30 HG LEU 30 -2.230 0.571 2.520 203 HD11 LEU 30 HD11 LEU 30 -3.175 -0.524 -0.107 204 HD12 LEU 30 HD12 LEU 30 -1.923 0.686 0.183 205 HD13 LEU 30 HD13 LEU 30 -3.614 1.073 0.500 206 HD21 LEU 30 HD21 LEU 30 -4.157 -1.495 2.872 207 HD22 LEU 30 HD22 LEU 30 -4.854 -0.225 1.866 208 HD23 LEU 30 HD23 LEU 30 -4.197 0.167 3.454 209 H GLY 31 H GLY 31 0.423 -1.367 4.012 210 HA2 GLY 31 HA2 GLY 31 0.453 1.374 4.613 211 HA3 GLY 31 HA3 GLY 31 1.305 0.137 5.512 212 H GLU 32 H GLU 32 3.245 -0.712 3.834 213 HA GLU 32 HA GLU 32 5.099 1.437 3.948 214 HB2 GLU 32 HB2 GLU 32 5.673 -0.936 4.337 215 HB3 GLU 32 HB3 GLU 32 5.412 -1.255 2.623 216 HG2 GLU 32 HG2 GLU 32 7.349 0.872 3.375 217 HG3 GLU 32 HG3 GLU 32 7.821 -0.810 3.596 218 H LEU 33 H LEU 33 3.472 -0.178 1.215 219 HA LEU 33 HA LEU 33 4.931 1.253 -0.738 220 HB2 LEU 33 HB2 LEU 33 2.271 -0.171 -0.976 221 HB3 LEU 33 HB3 LEU 33 3.153 0.537 -2.325 222 HG LEU 33 HG LEU 33 4.198 -1.669 -0.546 223 HD11 LEU 33 HD11 LEU 33 2.274 -2.296 -2.018 224 HD12 LEU 33 HD12 LEU 33 3.770 -3.178 -2.328 225 HD13 LEU 33 HD13 LEU 33 3.279 -1.870 -3.404 226 HD21 LEU 33 HD21 LEU 33 6.154 -0.867 -1.317 227 HD22 LEU 33 HD22 LEU 33 5.398 -0.003 -2.657 228 HD23 LEU 33 HD23 LEU 33 5.702 -1.735 -2.782 229 H CYS 34 H CYS 34 1.849 1.959 0.884 230 HA CYS 34 HA CYS 34 1.300 4.188 -0.812 231 HB2 CYS 34 HB2 CYS 34 -0.534 4.689 0.608 232 HB3 CYS 34 HB3 CYS 34 -0.429 2.934 0.535 233 HG CYS 34 HG CYS 34 1.129 3.021 3.061 234 H ALA 35 H ALA 35 3.081 3.790 2.183 235 HA ALA 35 HA ALA 35 3.223 6.643 2.657 236 HB1 ALA 35 HB1 ALA 35 3.917 6.139 4.732 237 HB2 ALA 35 HB2 ALA 35 5.007 4.869 4.175 238 HB3 ALA 35 HB3 ALA 35 3.279 4.544 4.332 239 H VAL 36 H VAL 36 5.651 4.104 1.965 240 HA VAL 36 HA VAL 36 7.813 5.912 1.788 241 HB VAL 36 HB VAL 36 7.519 3.092 0.753 242 HG11 VAL 36 HG11 VAL 36 10.246 3.938 1.114 243 HG12 VAL 36 HG12 VAL 36 9.434 4.964 -0.069 244 HG13 VAL 36 HG13 VAL 36 9.477 3.215 -0.299 245 HG21 VAL 36 HG21 VAL 36 8.913 2.529 2.666 246 HG22 VAL 36 HG22 VAL 36 7.456 3.377 3.188 247 HG23 VAL 36 HG23 VAL 36 8.998 4.230 3.125 248 H LEU 37 H LEU 37 5.758 4.497 -0.764 249 HA LEU 37 HA LEU 37 7.245 5.710 -2.870 250 HB2 LEU 37 HB2 LEU 37 4.449 4.606 -2.892 251 HB3 LEU 37 HB3 LEU 37 5.326 5.117 -4.316 252 HG LEU 37 HG LEU 37 6.081 2.834 -2.494 253 HD11 LEU 37 HD11 LEU 37 5.564 1.479 -4.511 254 HD12 LEU 37 HD12 LEU 37 4.885 2.928 -5.252 255 HD13 LEU 37 HD13 LEU 37 4.161 2.264 -3.787 256 HD21 LEU 37 HD21 LEU 37 7.498 2.560 -4.822 257 HD22 LEU 37 HD22 LEU 37 8.139 3.204 -3.309 258 HD23 LEU 37 HD23 LEU 37 7.547 4.302 -4.556 259 H ASP 38 H ASP 38 4.871 6.910 -0.712 260 HA ASP 38 HA ASP 38 3.694 8.914 -2.270 261 HB2 ASP 38 HB2 ASP 38 2.735 8.504 -0.133 262 HB3 ASP 38 HB3 ASP 38 4.274 8.743 0.692 263 H SER 39 H SER 39 6.744 8.813 -0.546 264 HA SER 39 HA SER 39 7.366 11.576 -1.184 265 HB2 SER 39 HB2 SER 39 9.017 9.432 0.175 266 HB3 SER 39 HB3 SER 39 9.479 11.127 0.021 267 HG SER 39 HG SER 39 7.644 9.936 1.712 268 H CYS 40 H CYS 40 7.214 8.999 -3.056 269 HA CYS 40 HA CYS 40 9.773 8.775 -4.232 270 HB2 CYS 40 HB2 CYS 40 8.054 7.058 -4.514 271 HB3 CYS 40 HB3 CYS 40 7.061 8.188 -5.438 272 HG CYS 40 HG CYS 40 8.201 6.356 -7.197 273 H ASP 41 H ASP 41 10.686 9.709 -5.960 274 HA ASP 41 HA ASP 41 9.285 11.933 -7.259 275 HB2 ASP 41 HB2 ASP 41 10.979 12.614 -5.402 276 HB3 ASP 41 HB3 ASP 41 12.207 12.144 -6.572 277 H GLY 42 H GLY 42 9.455 9.411 -8.275 278 HA2 GLY 42 HA2 GLY 42 9.800 8.701 -10.498 279 HA3 GLY 42 HA3 GLY 42 11.112 9.858 -10.639 280 H ALA 43 H ALA 43 11.891 8.588 -7.827 281 HA ALA 43 HA ALA 43 13.978 6.976 -8.817 282 HB1 ALA 43 HB1 ALA 43 12.843 7.139 -6.027 283 HB2 ALA 43 HB2 ALA 43 14.163 8.106 -6.685 284 HB3 ALA 43 HB3 ALA 43 14.370 6.370 -6.461 285 H LEU 44 H LEU 44 10.869 6.111 -7.341 286 HA LEU 44 HA LEU 44 11.289 3.343 -8.277 287 HB2 LEU 44 HB2 LEU 44 9.720 4.388 -5.903 288 HB3 LEU 44 HB3 LEU 44 9.438 2.798 -6.582 289 HG LEU 44 HG LEU 44 10.863 2.311 -4.829 290 HD11 LEU 44 HD11 LEU 44 12.903 2.830 -6.974 291 HD12 LEU 44 HD12 LEU 44 11.734 1.512 -7.059 292 HD13 LEU 44 HD13 LEU 44 12.904 1.569 -5.740 293 HD21 LEU 44 HD21 LEU 44 11.378 4.493 -4.050 294 HD22 LEU 44 HD22 LEU 44 12.321 4.859 -5.496 295 HD23 LEU 44 HD23 LEU 44 12.914 3.672 -4.335 296 H GLY 45 H GLY 45 9.412 6.176 -8.410 297 HA2 GLY 45 HA2 GLY 45 7.762 6.785 -9.903 298 HA3 GLY 45 HA3 GLY 45 7.774 5.143 -10.532 299 H TRP 46 H TRP 46 5.994 7.381 -8.752 300 HA TRP 46 HA TRP 46 4.649 5.878 -6.851 301 HB2 TRP 46 HB2 TRP 46 2.603 7.364 -7.541 302 HB3 TRP 46 HB3 TRP 46 4.044 8.115 -6.832 303 HD1 TRP 46 HD1 TRP 46 2.087 7.892 -10.111 304 HE1 TRP 46 HE1 TRP 46 2.941 9.718 -11.713 305 HE3 TRP 46 HE3 TRP 46 6.121 9.518 -7.419 306 HZ2 TRP 46 HZ2 TRP 46 5.044 11.594 -11.825 307 HZ3 TRP 46 HZ3 TRP 46 7.499 11.333 -8.343 308 HH2 TRP 46 HH2 TRP 46 6.974 12.349 -10.500 309 H ARG 47 H ARG 47 3.845 6.216 -10.303 310 HA ARG 47 HA ARG 47 1.885 4.094 -10.179 311 HB2 ARG 47 HB2 ARG 47 1.622 4.441 -12.599 312 HB3 ARG 47 HB3 ARG 47 1.430 5.932 -11.703 313 HG2 ARG 47 HG2 ARG 47 3.746 6.548 -12.302 314 HG3 ARG 47 HG3 ARG 47 3.861 5.068 -13.253 315 HD2 ARG 47 HD2 ARG 47 2.030 5.824 -14.671 316 HD3 ARG 47 HD3 ARG 47 1.871 7.290 -13.704 317 HE ARG 47 HE ARG 47 4.507 7.109 -14.643 318 HH11 ARG 47 HH11 ARG 47 5.199 8.404 -16.384 319 HH12 ARG 47 HH12 ARG 47 4.031 9.056 -17.485 320 HH21 ARG 47 HH21 ARG 47 1.282 7.625 -15.851 321 HH22 ARG 47 HH22 ARG 47 1.791 8.612 -17.181 322 H GLY 48 H GLY 48 5.143 3.963 -10.114 323 HA2 GLY 48 HA2 GLY 48 5.901 2.322 -12.245 324 HA3 GLY 48 HA3 GLY 48 6.687 2.359 -10.678 325 H LEU 49 H LEU 49 4.698 1.344 -9.032 326 HA LEU 49 HA LEU 49 4.876 -1.437 -9.671 327 HB2 LEU 49 HB2 LEU 49 3.349 -0.035 -7.479 328 HB3 LEU 49 HB3 LEU 49 3.598 -1.767 -7.588 329 HG LEU 49 HG LEU 49 5.767 0.309 -7.210 330 HD11 LEU 49 HD11 LEU 49 5.974 -0.599 -4.992 331 HD12 LEU 49 HD12 LEU 49 4.704 -1.779 -5.319 332 HD13 LEU 49 HD13 LEU 49 4.315 -0.061 -5.255 333 HD21 LEU 49 HD21 LEU 49 5.848 -2.670 -7.583 334 HD22 LEU 49 HD22 LEU 49 7.124 -1.805 -6.726 335 HD23 LEU 49 HD23 LEU 49 6.780 -1.424 -8.413 336 H ALA 50 H ALA 50 2.224 0.923 -9.572 337 HA ALA 50 HA ALA 50 0.133 -0.867 -10.185 338 HB1 ALA 50 HB1 ALA 50 -1.168 1.107 -10.742 339 HB2 ALA 50 HB2 ALA 50 0.302 2.080 -10.774 340 HB3 ALA 50 HB3 ALA 50 -0.244 1.358 -9.259 341 H GLU 51 H GLU 51 2.229 1.042 -12.270 342 HA GLU 51 HA GLU 51 0.870 0.753 -14.672 343 HB2 GLU 51 HB2 GLU 51 2.697 2.355 -14.325 344 HB3 GLU 51 HB3 GLU 51 3.849 1.031 -14.206 345 HG2 GLU 51 HG2 GLU 51 3.402 0.421 -16.526 346 HG3 GLU 51 HG3 GLU 51 2.224 1.727 -16.646 347 H ARG 52 H ARG 52 3.441 -1.257 -13.236 348 HA ARG 52 HA ARG 52 3.656 -3.076 -15.387 349 HB2 ARG 52 HB2 ARG 52 4.400 -3.287 -12.479 350 HB3 ARG 52 HB3 ARG 52 4.667 -4.606 -13.608 351 HG2 ARG 52 HG2 ARG 52 6.169 -3.284 -14.909 352 HG3 ARG 52 HG3 ARG 52 5.779 -1.836 -13.980 353 HD2 ARG 52 HD2 ARG 52 6.797 -2.753 -12.011 354 HD3 ARG 52 HD3 ARG 52 7.032 -4.310 -12.803 355 HE ARG 52 HE ARG 52 8.905 -3.475 -13.826 356 HH11 ARG 52 HH11 ARG 52 10.553 -1.947 -14.177 357 HH12 ARG 52 HH12 ARG 52 10.296 -0.295 -13.729 358 HH21 ARG 52 HH21 ARG 52 7.051 -0.824 -12.523 359 HH22 ARG 52 HH22 ARG 52 8.303 0.345 -12.785 360 H LEU 53 H LEU 53 1.657 -3.093 -12.467 361 HA LEU 53 HA LEU 53 0.649 -5.726 -12.883 362 HB2 LEU 53 HB2 LEU 53 0.662 -4.290 -10.721 363 HB3 LEU 53 HB3 LEU 53 -0.825 -3.602 -11.357 364 HG LEU 53 HG LEU 53 -0.826 -6.528 -11.358 365 HD11 LEU 53 HD11 LEU 53 -1.303 -6.450 -8.803 366 HD12 LEU 53 HD12 LEU 53 -0.274 -5.018 -8.842 367 HD13 LEU 53 HD13 LEU 53 0.358 -6.573 -9.384 368 HD21 LEU 53 HD21 LEU 53 -2.751 -4.833 -9.852 369 HD22 LEU 53 HD22 LEU 53 -3.037 -6.261 -10.848 370 HD23 LEU 53 HD23 LEU 53 -2.714 -4.703 -11.611 371 H SER 54 H SER 54 -0.593 -2.485 -13.654 372 HA SER 54 HA SER 54 -2.332 -3.734 -15.660 373 HB2 SER 54 HB2 SER 54 -3.240 -1.664 -13.645 374 HB3 SER 54 HB3 SER 54 -4.188 -2.201 -15.034 375 HG SER 54 HG SER 54 -3.342 -4.340 -13.671 376 H SER 55 H SER 55 -1.826 -2.873 -17.572 377 HA SER 55 HA SER 55 -0.799 -0.119 -17.640 378 HB2 SER 55 HB2 SER 55 -0.536 -2.321 -19.704 379 HB3 SER 55 HB3 SER 55 0.181 -0.716 -19.819 380 HG SER 55 HG SER 55 0.885 -1.770 -17.477 381 H SER 56 H SER 56 -2.776 0.973 -17.663 382 HA SER 56 HA SER 56 -4.238 0.751 -20.198 383 HB2 SER 56 HB2 SER 56 -5.499 1.052 -17.460 384 HB3 SER 56 HB3 SER 56 -6.368 1.146 -18.992 385 HG SER 56 HG SER 56 -4.932 -1.094 -18.985 386 H TRP 57 H TRP 57 -5.162 2.683 -20.968 387 HA TRP 57 HA TRP 57 -3.801 5.068 -20.035 388 HB2 TRP 57 HB2 TRP 57 -4.943 6.117 -22.052 389 HB3 TRP 57 HB3 TRP 57 -3.801 4.824 -22.401 390 HD1 TRP 57 HD1 TRP 57 -7.549 5.617 -22.480 391 HE1 TRP 57 HE1 TRP 57 -8.731 3.855 -23.938 392 HE3 TRP 57 HE3 TRP 57 -3.626 2.422 -23.241 393 HZ2 TRP 57 HZ2 TRP 57 -8.086 1.434 -25.241 394 HZ3 TRP 57 HZ3 TRP 57 -3.993 0.408 -24.605 395 HH2 TRP 57 HH2 TRP 57 -6.177 -0.074 -25.584 396 H LEU 58 H LEU 58 -5.119 7.142 -19.988 397 HA LEU 58 HA LEU 58 -6.766 8.464 -19.151 398 HB2 LEU 58 HB2 LEU 58 -8.332 7.173 -20.524 399 HB3 LEU 58 HB3 LEU 58 -8.482 5.982 -19.247 400 HG LEU 58 HG LEU 58 -9.488 7.707 -17.785 401 HD11 LEU 58 HD11 LEU 58 -10.358 9.755 -19.133 402 HD12 LEU 58 HD12 LEU 58 -8.980 9.416 -20.178 403 HD13 LEU 58 HD13 LEU 58 -8.724 9.770 -18.470 404 HD21 LEU 58 HD21 LEU 58 -11.640 7.773 -18.886 405 HD22 LEU 58 HD22 LEU 58 -10.880 6.203 -19.149 406 HD23 LEU 58 HD23 LEU 58 -10.887 7.407 -20.438 407 H ASP 59 H ASP 59 -6.500 5.298 -17.610 408 HA ASP 59 HA ASP 59 -7.459 6.023 -15.063 409 HB2 ASP 59 HB2 ASP 59 -5.590 3.832 -15.964 410 HB3 ASP 59 HB3 ASP 59 -6.088 4.016 -14.287 411 H VAL 60 H VAL 60 -4.421 6.596 -16.605 412 HA VAL 60 HA VAL 60 -2.781 6.930 -14.345 413 HB VAL 60 HB VAL 60 -1.326 8.300 -15.835 414 HG11 VAL 60 HG11 VAL 60 -0.979 6.431 -17.537 415 HG12 VAL 60 HG12 VAL 60 -2.340 5.624 -16.755 416 HG13 VAL 60 HG13 VAL 60 -0.883 5.992 -15.832 417 HG21 VAL 60 HG21 VAL 60 -1.919 8.993 -17.924 418 HG22 VAL 60 HG22 VAL 60 -3.513 9.024 -17.169 419 HG23 VAL 60 HG23 VAL 60 -3.040 7.653 -18.171 420 H ASP 61 H ASP 61 -5.257 8.940 -15.662 421 HA ASP 61 HA ASP 61 -4.391 11.457 -14.710 422 HB2 ASP 61 HB2 ASP 61 -6.253 11.042 -16.369 423 HB3 ASP 61 HB3 ASP 61 -7.261 10.553 -15.012 424 H HIS 62 H HIS 62 -6.357 8.904 -13.250 425 HA HIS 62 HA HIS 62 -6.968 10.324 -10.873 426 HB2 HIS 62 HB2 HIS 62 -8.081 8.185 -11.903 427 HB3 HIS 62 HB3 HIS 62 -6.877 7.331 -10.941 428 HD2 HIS 62 HD2 HIS 62 -7.558 6.968 -8.351 429 HE1 HIS 62 HE1 HIS 62 -10.802 9.650 -8.182 430 H ILE 63 H ILE 63 -4.232 8.460 -11.904 431 HA ILE 63 HA ILE 63 -3.106 7.776 -9.431 432 HB ILE 63 HB ILE 63 -1.818 8.335 -12.105 433 HG12 ILE 63 HG12 ILE 63 -2.109 5.740 -10.582 434 HG13 ILE 63 HG13 ILE 63 -3.290 6.300 -11.768 435 HG21 ILE 63 HG21 ILE 63 -0.481 8.443 -9.669 436 HG22 ILE 63 HG22 ILE 63 0.241 8.235 -11.265 437 HG23 ILE 63 HG23 ILE 63 -0.156 6.823 -10.287 438 HD11 ILE 63 HD11 ILE 63 -0.757 4.970 -12.157 439 HD12 ILE 63 HD12 ILE 63 -0.877 6.452 -13.107 440 HD13 ILE 63 HD13 ILE 63 -2.102 5.194 -13.276 441 H GLU 64 H GLU 64 -2.906 10.763 -11.320 442 HA GLU 64 HA GLU 64 -1.074 11.988 -9.463 443 HB2 GLU 64 HB2 GLU 64 -2.710 13.206 -11.697 444 HB3 GLU 64 HB3 GLU 64 -1.435 14.026 -10.807 445 HG2 GLU 64 HG2 GLU 64 -1.045 11.559 -12.489 446 HG3 GLU 64 HG3 GLU 64 -0.715 13.207 -13.018 447 H LYS 65 H LYS 65 -4.495 11.620 -9.684 448 HA LYS 65 HA LYS 65 -5.238 13.969 -8.258 449 HB2 LYS 65 HB2 LYS 65 -6.720 11.423 -8.864 450 HB3 LYS 65 HB3 LYS 65 -7.444 12.770 -7.996 451 HG2 LYS 65 HG2 LYS 65 -7.058 14.226 -9.918 452 HG3 LYS 65 HG3 LYS 65 -6.321 12.880 -10.791 453 HD2 LYS 65 HD2 LYS 65 -8.434 11.651 -10.681 454 HD3 LYS 65 HD3 LYS 65 -9.168 12.982 -9.790 455 HE2 LYS 65 HE2 LYS 65 -8.798 14.465 -11.698 456 HE3 LYS 65 HE3 LYS 65 -8.051 13.138 -12.587 457 HZ1 LYS 65 HZ1 LYS 65 -10.403 12.063 -11.915 458 HZ2 LYS 65 HZ2 LYS 65 -10.116 12.866 -13.375 459 HZ3 LYS 65 HZ3 LYS 65 -10.850 13.687 -12.091 460 H GLU 66 H GLU 66 -4.839 10.559 -7.137 461 HA GLU 66 HA GLU 66 -5.525 11.457 -4.457 462 HB2 GLU 66 HB2 GLU 66 -4.770 8.654 -5.309 463 HB3 GLU 66 HB3 GLU 66 -5.356 9.140 -3.730 464 HG2 GLU 66 HG2 GLU 66 -7.471 9.880 -4.750 465 HG3 GLU 66 HG3 GLU 66 -6.894 9.296 -6.310 466 H VAL 67 H VAL 67 -2.682 11.447 -6.194 467 HA VAL 67 HA VAL 67 -0.818 10.543 -4.317 468 HB VAL 67 HB VAL 67 -0.346 11.261 -6.717 469 HG11 VAL 67 HG11 VAL 67 -1.191 13.436 -6.889 470 HG12 VAL 67 HG12 VAL 67 0.561 13.646 -6.846 471 HG13 VAL 67 HG13 VAL 67 -0.401 13.957 -5.400 472 HG21 VAL 67 HG21 VAL 67 1.567 10.599 -5.685 473 HG22 VAL 67 HG22 VAL 67 1.372 11.731 -4.348 474 HG23 VAL 67 HG23 VAL 67 1.958 12.304 -5.909 475 H ASP 68 H ASP 68 -2.697 13.472 -4.434 476 HA ASP 68 HA ASP 68 -1.215 14.890 -2.430 477 HB2 ASP 68 HB2 ASP 68 -3.977 15.286 -3.595 478 HB3 ASP 68 HB3 ASP 68 -3.322 16.320 -2.328 479 H GLN 69 H GLN 69 -3.380 12.307 -2.390 480 HA GLN 69 HA GLN 69 -4.272 12.777 0.358 481 HB2 GLN 69 HB2 GLN 69 -4.990 10.570 -1.588 482 HB3 GLN 69 HB3 GLN 69 -5.690 10.785 0.009 483 HG2 GLN 69 HG2 GLN 69 -5.933 12.696 -2.306 484 HG3 GLN 69 HG3 GLN 69 -7.184 11.602 -1.721 485 HE21 GLN 69 HE21 GLN 69 -7.494 11.883 0.780 486 HE22 GLN 69 HE22 GLN 69 -7.712 13.519 1.290 487 H GLY 70 H GLY 70 -1.558 11.825 -0.912 488 HA2 GLY 70 HA2 GLY 70 0.163 10.910 0.471 489 HA3 GLY 70 HA3 GLY 70 -1.032 9.859 1.204 490 H LYS 71 H LYS 71 -1.818 9.538 -1.936 491 HA LYS 71 HA LYS 71 0.073 8.389 -3.444 492 HB2 LYS 71 HB2 LYS 71 0.761 6.922 -1.584 493 HB3 LYS 71 HB3 LYS 71 -0.848 6.220 -1.553 494 HG2 LYS 71 HG2 LYS 71 0.888 4.827 -2.703 495 HG3 LYS 71 HG3 LYS 71 -0.542 5.183 -3.671 496 HD2 LYS 71 HD2 LYS 71 1.425 5.403 -5.060 497 HD3 LYS 71 HD3 LYS 71 0.731 7.003 -4.787 498 HE2 LYS 71 HE2 LYS 71 2.454 6.868 -2.741 499 HE3 LYS 71 HE3 LYS 71 3.291 5.863 -3.912 500 HZ1 LYS 71 HZ1 LYS 71 2.845 7.800 -5.505 501 HZ2 LYS 71 HZ2 LYS 71 4.078 7.972 -4.354 502 HZ3 LYS 71 HZ3 LYS 71 2.574 8.713 -4.107 503 H SER 72 H SER 72 -0.719 7.625 -5.265 504 HA SER 72 HA SER 72 -3.450 6.558 -5.354 505 HB2 SER 72 HB2 SER 72 -3.149 9.018 -6.139 506 HB3 SER 72 HB3 SER 72 -2.417 8.294 -7.566 507 HG SER 72 HG SER 72 -4.576 8.466 -8.008 508 H GLY 73 H GLY 73 -0.175 6.591 -6.484 509 HA2 GLY 73 HA2 GLY 73 -0.365 5.015 -8.764 510 HA3 GLY 73 HA3 GLY 73 1.018 5.036 -7.668 511 H THR 74 H THR 74 0.621 3.741 -5.579 512 HA THR 74 HA THR 74 -0.293 1.124 -6.393 513 HB THR 74 HB THR 74 0.991 1.864 -3.759 514 HG1 THR 74 HG1 THR 74 2.063 2.086 -6.140 515 HG21 THR 74 HG21 THR 74 1.309 -0.384 -3.415 516 HG22 THR 74 HG22 THR 74 1.322 -0.756 -5.139 517 HG23 THR 74 HG23 THR 74 -0.205 -0.434 -4.317 518 H ARG 75 H ARG 75 -1.180 3.664 -4.130 519 HA ARG 75 HA ARG 75 -2.904 2.194 -2.470 520 HB2 ARG 75 HB2 ARG 75 -2.070 4.508 -1.986 521 HB3 ARG 75 HB3 ARG 75 -3.182 5.115 -3.200 522 HG2 ARG 75 HG2 ARG 75 -5.073 4.378 -1.942 523 HG3 ARG 75 HG3 ARG 75 -4.036 3.550 -0.782 524 HD2 ARG 75 HD2 ARG 75 -3.094 5.690 -0.087 525 HD3 ARG 75 HD3 ARG 75 -4.113 6.526 -1.261 526 HE ARG 75 HE ARG 75 -5.825 5.051 0.322 527 HH11 ARG 75 HH11 ARG 75 -6.928 5.939 2.107 528 HH12 ARG 75 HH12 ARG 75 -6.284 7.337 2.901 529 HH21 ARG 75 HH21 ARG 75 -3.501 7.598 0.790 530 HH22 ARG 75 HH22 ARG 75 -4.329 8.288 2.145 531 H GLU 76 H GLU 76 -3.599 4.076 -5.419 532 HA GLU 76 HA GLU 76 -6.377 3.693 -5.413 533 HB2 GLU 76 HB2 GLU 76 -5.315 5.343 -6.851 534 HB3 GLU 76 HB3 GLU 76 -4.478 4.079 -7.748 535 HG2 GLU 76 HG2 GLU 76 -6.734 3.219 -8.434 536 HG3 GLU 76 HG3 GLU 76 -7.432 4.648 -7.675 537 H LEU 77 H LEU 77 -3.772 1.797 -6.868 538 HA LEU 77 HA LEU 77 -5.378 -0.100 -8.178 539 HB2 LEU 77 HB2 LEU 77 -3.005 0.216 -8.659 540 HB3 LEU 77 HB3 LEU 77 -2.588 -0.356 -7.056 541 HG LEU 77 HG LEU 77 -3.504 -2.583 -7.639 542 HD11 LEU 77 HD11 LEU 77 -5.069 -2.379 -9.287 543 HD12 LEU 77 HD12 LEU 77 -3.672 -2.849 -10.255 544 HD13 LEU 77 HD13 LEU 77 -4.151 -1.154 -10.165 545 HD21 LEU 77 HD21 LEU 77 -1.619 -2.218 -9.826 546 HD22 LEU 77 HD22 LEU 77 -1.485 -3.192 -8.362 547 HD23 LEU 77 HD23 LEU 77 -1.086 -1.475 -8.319 548 H LEU 78 H LEU 78 -3.845 -0.182 -4.960 549 HA LEU 78 HA LEU 78 -4.781 -2.755 -4.258 550 HB2 LEU 78 HB2 LEU 78 -3.828 -0.434 -2.581 551 HB3 LEU 78 HB3 LEU 78 -4.242 -1.990 -1.889 552 HG LEU 78 HG LEU 78 -2.112 -1.616 -3.992 553 HD11 LEU 78 HD11 LEU 78 -1.570 -0.402 -1.904 554 HD12 LEU 78 HD12 LEU 78 -0.481 -1.749 -2.235 555 HD13 LEU 78 HD13 LEU 78 -1.747 -1.918 -1.020 556 HD21 LEU 78 HD21 LEU 78 -1.808 -3.816 -3.921 557 HD22 LEU 78 HD22 LEU 78 -3.409 -3.886 -3.184 558 HD23 LEU 78 HD23 LEU 78 -1.967 -3.874 -2.168 559 H TRP 79 H TRP 79 -6.149 0.466 -3.748 560 HA TRP 79 HA TRP 79 -8.355 -0.534 -2.186 561 HB2 TRP 79 HB2 TRP 79 -7.543 2.165 -3.178 562 HB3 TRP 79 HB3 TRP 79 -9.182 1.912 -2.590 563 HD1 TRP 79 HD1 TRP 79 -5.619 2.317 -1.404 564 HE1 TRP 79 HE1 TRP 79 -5.581 2.402 1.169 565 HE3 TRP 79 HE3 TRP 79 -10.455 0.955 -0.480 566 HZ2 TRP 79 HZ2 TRP 79 -7.369 1.951 3.308 567 HZ3 TRP 79 HZ3 TRP 79 -11.216 0.807 1.857 568 HH2 TRP 79 HH2 TRP 79 -9.702 1.295 3.710 569 H SER 80 H SER 80 -7.793 -0.594 -5.471 570 HA SER 80 HA SER 80 -10.222 0.241 -6.582 571 HB2 SER 80 HB2 SER 80 -8.276 -1.874 -7.509 572 HB3 SER 80 HB3 SER 80 -9.662 -1.346 -8.463 573 HG SER 80 HG SER 80 -7.784 0.512 -7.454 574 H TRP 81 H TRP 81 -9.345 -2.917 -5.200 575 HA TRP 81 HA TRP 81 -11.951 -3.991 -5.902 576 HB2 TRP 81 HB2 TRP 81 -9.463 -5.117 -4.672 577 HB3 TRP 81 HB3 TRP 81 -10.992 -5.974 -4.463 578 HD1 TRP 81 HD1 TRP 81 -8.200 -5.506 -6.886 579 HE1 TRP 81 HE1 TRP 81 -8.719 -6.747 -9.080 580 HE3 TRP 81 HE3 TRP 81 -13.140 -6.561 -6.079 581 HZ2 TRP 81 HZ2 TRP 81 -10.928 -8.008 -10.307 582 HZ3 TRP 81 HZ3 TRP 81 -14.383 -7.787 -7.812 583 HH2 TRP 81 HH2 TRP 81 -13.299 -8.493 -9.883 584 H ALA 82 H ALA 82 -10.472 -4.621 -2.770 585 HA ALA 82 HA ALA 82 -12.901 -3.542 -1.495 586 HB1 ALA 82 HB1 ALA 82 -11.134 -5.857 -0.857 587 HB2 ALA 82 HB2 ALA 82 -12.893 -5.741 -0.841 588 HB3 ALA 82 HB3 ALA 82 -11.949 -5.029 0.468 589 H GLN 83 H GLN 83 -9.890 -4.330 0.096 590 HA GLN 83 HA GLN 83 -9.514 -1.487 0.779 591 HB2 GLN 83 HB2 GLN 83 -8.963 -4.021 2.320 592 HB3 GLN 83 HB3 GLN 83 -8.086 -2.541 2.688 593 HG2 GLN 83 HG2 GLN 83 -9.858 -2.602 4.210 594 HG3 GLN 83 HG3 GLN 83 -10.351 -1.441 2.980 595 HE21 GLN 83 HE21 GLN 83 -12.483 -1.593 2.837 596 HE22 GLN 83 HE22 GLN 83 -13.378 -3.057 2.646 597 H LYS 84 H LYS 84 -7.724 -4.523 0.418 598 HA LYS 84 HA LYS 84 -5.781 -3.119 -1.270 599 HB2 LYS 84 HB2 LYS 84 -4.440 -3.339 0.611 600 HB3 LYS 84 HB3 LYS 84 -5.261 -4.795 1.154 601 HG2 LYS 84 HG2 LYS 84 -4.072 -6.150 -0.343 602 HG3 LYS 84 HG3 LYS 84 -3.512 -4.772 -1.279 603 HD2 LYS 84 HD2 LYS 84 -1.681 -5.580 0.018 604 HD3 LYS 84 HD3 LYS 84 -2.203 -4.054 0.729 605 HE2 LYS 84 HE2 LYS 84 -1.716 -5.856 2.384 606 HE3 LYS 84 HE3 LYS 84 -3.346 -5.185 2.489 607 HZ1 LYS 84 HZ1 LYS 84 -4.286 -7.104 1.748 608 HZ2 LYS 84 HZ2 LYS 84 -2.905 -7.769 2.470 609 HZ3 LYS 84 HZ3 LYS 84 -2.952 -7.540 0.791 610 H ASN 85 H ASN 85 -7.151 -6.177 -0.206 611 HA ASN 85 HA ASN 85 -7.566 -8.171 -1.186 612 HB2 ASN 85 HB2 ASN 85 -9.045 -6.466 -2.456 613 HB3 ASN 85 HB3 ASN 85 -7.936 -6.740 -3.794 614 HD21 ASN 85 HD21 ASN 85 -9.210 -7.859 -5.162 615 HD22 ASN 85 HD22 ASN 85 -9.945 -9.378 -4.793 616 H LYS 86 H LYS 86 -4.755 -7.312 -1.276 617 HA LYS 86 HA LYS 86 -3.889 -9.130 -3.410 618 HB2 LYS 86 HB2 LYS 86 -2.448 -6.556 -2.706 619 HB3 LYS 86 HB3 LYS 86 -1.966 -7.720 -3.932 620 HG2 LYS 86 HG2 LYS 86 -4.339 -7.157 -4.902 621 HG3 LYS 86 HG3 LYS 86 -4.129 -5.687 -3.982 622 HD2 LYS 86 HD2 LYS 86 -2.084 -5.204 -5.175 623 HD3 LYS 86 HD3 LYS 86 -2.193 -6.735 -6.038 624 HE2 LYS 86 HE2 LYS 86 -2.995 -4.950 -7.457 625 HE3 LYS 86 HE3 LYS 86 -4.341 -6.001 -7.008 626 HZ1 LYS 86 HZ1 LYS 86 -4.956 -4.413 -5.294 627 HZ2 LYS 86 HZ2 LYS 86 -4.965 -3.689 -6.825 628 HZ3 LYS 86 HZ3 LYS 86 -3.686 -3.394 -5.755 629 H THR 87 H THR 87 -2.389 -10.618 -2.694 630 HA THR 87 HA THR 87 -1.708 -10.467 0.113 631 HB THR 87 HB THR 87 -0.768 -12.676 -0.104 632 HG1 THR 87 HG1 THR 87 -0.829 -13.684 -2.250 633 HG21 THR 87 HG21 THR 87 -3.039 -13.275 -1.793 634 HG22 THR 87 HG22 THR 87 -3.436 -12.041 -0.599 635 HG23 THR 87 HG23 THR 87 -2.800 -13.601 -0.076 636 H ILE 88 H ILE 88 0.552 -10.816 0.820 637 HA ILE 88 HA ILE 88 2.226 -8.832 -0.215 638 HB ILE 88 HB ILE 88 2.434 -10.900 1.877 639 HG12 ILE 88 HG12 ILE 88 3.476 -8.851 3.035 640 HG13 ILE 88 HG13 ILE 88 3.026 -7.960 1.585 641 HG21 ILE 88 HG21 ILE 88 4.886 -9.834 0.512 642 HG22 ILE 88 HG22 ILE 88 4.489 -11.503 0.919 643 HG23 ILE 88 HG23 ILE 88 4.899 -10.358 2.197 644 HD11 ILE 88 HD11 ILE 88 1.362 -7.674 3.299 645 HD12 ILE 88 HD12 ILE 88 1.165 -9.419 3.442 646 HD13 ILE 88 HD13 ILE 88 0.684 -8.598 1.959 647 H GLY 89 H GLY 89 2.202 -12.330 -0.762 648 HA2 GLY 89 HA2 GLY 89 4.608 -12.487 -2.221 649 HA3 GLY 89 HA3 GLY 89 3.282 -13.636 -2.312 650 H ASP 90 H ASP 90 1.290 -11.857 -3.305 651 HA ASP 90 HA ASP 90 1.786 -12.057 -6.073 652 HB2 ASP 90 HB2 ASP 90 -0.473 -12.111 -5.107 653 HB3 ASP 90 HB3 ASP 90 -0.317 -10.419 -4.647 654 H LEU 91 H LEU 91 1.706 -9.194 -3.958 655 HA LEU 91 HA LEU 91 2.424 -7.415 -6.098 656 HB2 LEU 91 HB2 LEU 91 1.105 -6.970 -3.861 657 HB3 LEU 91 HB3 LEU 91 2.706 -6.673 -3.215 658 HG LEU 91 HG LEU 91 2.698 -4.572 -4.008 659 HD11 LEU 91 HD11 LEU 91 2.542 -4.013 -6.322 660 HD12 LEU 91 HD12 LEU 91 1.717 -5.524 -6.698 661 HD13 LEU 91 HD13 LEU 91 3.411 -5.543 -6.204 662 HD21 LEU 91 HD21 LEU 91 -0.082 -5.464 -4.489 663 HD22 LEU 91 HD22 LEU 91 0.415 -3.937 -5.218 664 HD23 LEU 91 HD23 LEU 91 0.541 -4.164 -3.474 665 H LEU 92 H LEU 92 4.154 -9.345 -3.814 666 HA LEU 92 HA LEU 92 6.587 -7.982 -3.643 667 HB2 LEU 92 HB2 LEU 92 6.025 -9.896 -2.233 668 HB3 LEU 92 HB3 LEU 92 6.070 -10.956 -3.627 669 HG LEU 92 HG LEU 92 8.489 -10.512 -3.873 670 HD11 LEU 92 HD11 LEU 92 7.909 -8.431 -1.991 671 HD12 LEU 92 HD12 LEU 92 9.386 -8.732 -2.907 672 HD13 LEU 92 HD13 LEU 92 9.148 -9.505 -1.340 673 HD21 LEU 92 HD21 LEU 92 7.764 -12.460 -2.636 674 HD22 LEU 92 HD22 LEU 92 7.617 -11.502 -1.163 675 HD23 LEU 92 HD23 LEU 92 9.204 -11.774 -1.883 676 H GLN 93 H GLN 93 5.406 -10.233 -6.099 677 HA GLN 93 HA GLN 93 7.803 -10.566 -7.527 678 HB2 GLN 93 HB2 GLN 93 4.915 -10.657 -8.415 679 HB3 GLN 93 HB3 GLN 93 6.259 -11.102 -9.457 680 HG2 GLN 93 HG2 GLN 93 6.864 -12.912 -8.018 681 HG3 GLN 93 HG3 GLN 93 5.687 -12.406 -6.809 682 HE21 GLN 93 HE21 GLN 93 3.601 -13.013 -7.009 683 HE22 GLN 93 HE22 GLN 93 3.006 -14.034 -8.271 684 H VAL 94 H VAL 94 5.242 -8.139 -7.790 685 HA VAL 94 HA VAL 94 6.325 -6.764 -10.025 686 HB VAL 94 HB VAL 94 4.436 -5.813 -7.861 687 HG11 VAL 94 HG11 VAL 94 5.841 -4.133 -9.419 688 HG12 VAL 94 HG12 VAL 94 4.199 -3.803 -8.864 689 HG13 VAL 94 HG13 VAL 94 4.468 -4.455 -10.479 690 HG21 VAL 94 HG21 VAL 94 2.908 -7.025 -8.925 691 HG22 VAL 94 HG22 VAL 94 4.096 -7.519 -10.130 692 HG23 VAL 94 HG23 VAL 94 3.165 -6.039 -10.365 693 H LEU 95 H LEU 95 6.624 -6.401 -6.528 694 HA LEU 95 HA LEU 95 8.112 -4.028 -6.431 695 HB2 LEU 95 HB2 LEU 95 7.667 -6.340 -4.623 696 HB3 LEU 95 HB3 LEU 95 9.063 -5.342 -4.281 697 HG LEU 95 HG LEU 95 7.699 -3.413 -3.893 698 HD11 LEU 95 HD11 LEU 95 6.033 -3.521 -5.553 699 HD12 LEU 95 HD12 LEU 95 5.178 -3.652 -4.016 700 HD13 LEU 95 HD13 LEU 95 5.462 -5.094 -4.992 701 HD21 LEU 95 HD21 LEU 95 6.316 -5.754 -2.599 702 HD22 LEU 95 HD22 LEU 95 6.449 -4.110 -1.979 703 HD23 LEU 95 HD23 LEU 95 7.885 -5.128 -2.093 704 H GLN 96 H GLN 96 9.120 -7.394 -6.785 705 HA GLN 96 HA GLN 96 11.901 -6.986 -6.605 706 HB2 GLN 96 HB2 GLN 96 10.267 -9.117 -7.987 707 HB3 GLN 96 HB3 GLN 96 12.022 -9.162 -7.905 708 HG2 GLN 96 HG2 GLN 96 11.974 -9.332 -5.524 709 HG3 GLN 96 HG3 GLN 96 10.234 -9.044 -5.489 710 HE21 GLN 96 HE21 GLN 96 11.800 -11.298 -4.467 711 HE22 GLN 96 HE22 GLN 96 11.153 -12.705 -5.232 712 H GLU 97 H GLU 97 9.671 -6.888 -9.348 713 HA GLU 97 HA GLU 97 11.609 -6.612 -11.383 714 HB2 GLU 97 HB2 GLU 97 8.715 -5.755 -11.229 715 HB3 GLU 97 HB3 GLU 97 9.683 -5.594 -12.688 716 HG2 GLU 97 HG2 GLU 97 9.034 -8.171 -11.268 717 HG3 GLU 97 HG3 GLU 97 8.300 -7.590 -12.761 718 H MET 98 H MET 98 9.858 -4.245 -9.425 719 HA MET 98 HA MET 98 10.939 -1.956 -10.720 720 HB2 MET 98 HB2 MET 98 8.832 -2.000 -9.349 721 HB3 MET 98 HB3 MET 98 9.837 -2.104 -7.912 722 HG2 MET 98 HG2 MET 98 9.074 0.176 -8.330 723 HG3 MET 98 HG3 MET 98 10.831 0.047 -8.410 724 HE1 MET 98 HE1 MET 98 12.229 0.611 -10.172 725 HE2 MET 98 HE2 MET 98 11.477 2.203 -10.050 726 HE3 MET 98 HE3 MET 98 11.759 1.481 -11.633 727 H GLY 99 H GLY 99 11.901 -3.841 -7.889 728 HA2 GLY 99 HA2 GLY 99 14.123 -4.050 -7.128 729 HA3 GLY 99 HA3 GLY 99 14.551 -2.618 -8.053 730 H HIS 100 H HIS 100 11.796 -2.703 -5.896 731 HA HIS 100 HA HIS 100 12.814 -0.449 -4.435 732 HB2 HIS 100 HB2 HIS 100 10.344 -1.054 -5.022 733 HB3 HIS 100 HB3 HIS 100 10.424 -2.034 -3.561 734 HD2 HIS 100 HD2 HIS 100 8.386 0.306 -3.293 735 HE1 HIS 100 HE1 HIS 100 11.402 2.528 -1.363 736 H ARG 101 H ARG 101 14.542 -0.913 -3.213 737 HA ARG 101 HA ARG 101 14.984 -3.274 -1.753 738 HB2 ARG 101 HB2 ARG 101 16.131 -0.503 -1.521 739 HB3 ARG 101 HB3 ARG 101 16.715 -1.860 -0.564 740 HG2 ARG 101 HG2 ARG 101 17.386 -3.036 -2.562 741 HG3 ARG 101 HG3 ARG 101 16.687 -1.774 -3.577 742 HD2 ARG 101 HD2 ARG 101 19.083 -1.482 -3.448 743 HD3 ARG 101 HD3 ARG 101 18.275 -0.155 -2.613 744 HE ARG 101 HE ARG 101 18.919 -2.231 -0.796 745 HH11 ARG 101 HH11 ARG 101 20.636 -1.934 0.672 746 HH12 ARG 101 HH12 ARG 101 21.827 -0.716 0.363 747 HH21 ARG 101 HH21 ARG 101 20.359 0.355 -2.631 748 HH22 ARG 101 HH22 ARG 101 21.669 0.592 -1.521 749 H ARG 102 H ARG 102 13.642 -0.141 -0.744 750 HA ARG 102 HA ARG 102 13.557 -0.677 2.020 751 HB2 ARG 102 HB2 ARG 102 13.288 1.589 1.114 752 HB3 ARG 102 HB3 ARG 102 11.754 1.124 0.390 753 HG2 ARG 102 HG2 ARG 102 11.288 2.338 2.387 754 HG3 ARG 102 HG3 ARG 102 10.893 0.641 2.678 755 HD2 ARG 102 HD2 ARG 102 13.026 0.335 3.825 756 HD3 ARG 102 HD3 ARG 102 13.445 2.019 3.517 757 HE ARG 102 HE ARG 102 11.591 1.008 5.500 758 HH11 ARG 102 HH11 ARG 102 10.802 2.507 7.024 759 HH12 ARG 102 HH12 ARG 102 11.047 4.202 6.764 760 HH21 ARG 102 HH21 ARG 102 12.757 3.779 3.738 761 HH22 ARG 102 HH22 ARG 102 12.161 4.929 4.890 762 H ALA 103 H ALA 103 11.239 -1.247 -0.561 763 HA ALA 103 HA ALA 103 9.069 -2.092 1.015 764 HB1 ALA 103 HB1 ALA 103 8.093 -2.872 -0.966 765 HB2 ALA 103 HB2 ALA 103 9.658 -3.195 -1.716 766 HB3 ALA 103 HB3 ALA 103 9.119 -1.531 -1.482 767 H ILE 104 H ILE 104 11.820 -3.844 -0.338 768 HA ILE 104 HA ILE 104 10.990 -6.452 0.311 769 HB ILE 104 HB ILE 104 13.775 -5.314 0.006 770 HG12 ILE 104 HG12 ILE 104 12.403 -5.164 -2.017 771 HG13 ILE 104 HG13 ILE 104 13.685 -6.352 -2.223 772 HG21 ILE 104 HG21 ILE 104 13.651 -8.113 -0.549 773 HG22 ILE 104 HG22 ILE 104 13.032 -7.817 1.075 774 HG23 ILE 104 HG23 ILE 104 14.644 -7.258 0.631 775 HD11 ILE 104 HD11 ILE 104 11.958 -7.524 -3.098 776 HD12 ILE 104 HD12 ILE 104 10.753 -6.723 -2.090 777 HD13 ILE 104 HD13 ILE 104 11.767 -7.994 -1.409 778 H HIS 105 H HIS 105 12.968 -4.111 2.122 779 HA HIS 105 HA HIS 105 13.513 -5.827 4.302 780 HB2 HIS 105 HB2 HIS 105 13.609 -2.836 3.992 781 HB3 HIS 105 HB3 HIS 105 14.005 -3.626 5.512 782 HD2 HIS 105 HD2 HIS 105 15.672 -2.626 2.276 783 HE1 HIS 105 HE1 HIS 105 18.271 -5.411 4.076 784 H LEU 106 H LEU 106 10.910 -3.440 3.797 785 HA LEU 106 HA LEU 106 9.891 -3.919 6.462 786 HB2 LEU 106 HB2 LEU 106 9.651 -1.847 4.598 787 HB3 LEU 106 HB3 LEU 106 8.033 -2.502 4.780 788 HG LEU 106 HG LEU 106 8.058 -2.091 7.157 789 HD11 LEU 106 HD11 LEU 106 10.082 -2.392 8.105 790 HD12 LEU 106 HD12 LEU 106 10.230 -0.654 7.851 791 HD13 LEU 106 HD13 LEU 106 10.953 -1.777 6.700 792 HD21 LEU 106 HD21 LEU 106 7.436 -0.210 5.738 793 HD22 LEU 106 HD22 LEU 106 9.122 0.305 5.665 794 HD23 LEU 106 HD23 LEU 106 8.254 0.341 7.201 795 H ILE 107 H ILE 107 9.301 -5.265 3.335 796 HA ILE 107 HA ILE 107 6.640 -6.124 3.747 797 HB ILE 107 HB ILE 107 7.985 -6.063 1.538 798 HG12 ILE 107 HG12 ILE 107 6.294 -8.517 2.005 799 HG13 ILE 107 HG13 ILE 107 5.615 -6.894 1.941 800 HG21 ILE 107 HG21 ILE 107 8.673 -8.851 2.468 801 HG22 ILE 107 HG22 ILE 107 9.812 -7.525 2.223 802 HG23 ILE 107 HG23 ILE 107 8.942 -8.207 0.848 803 HD11 ILE 107 HD11 ILE 107 5.313 -7.498 -0.218 804 HD12 ILE 107 HD12 ILE 107 6.704 -8.583 -0.226 805 HD13 ILE 107 HD13 ILE 107 6.945 -6.840 -0.349 806 H THR 108 H THR 108 9.609 -7.237 5.026 807 HA THR 108 HA THR 108 8.914 -9.951 5.509 808 HB THR 108 HB THR 108 10.818 -9.984 7.058 809 HG1 THR 108 HG1 THR 108 11.330 -7.258 6.489 810 HG21 THR 108 HG21 THR 108 11.277 -8.548 4.442 811 HG22 THR 108 HG22 THR 108 11.373 -10.282 4.753 812 HG23 THR 108 HG23 THR 108 12.579 -9.195 5.444 813 H ASN 109 H ASN 109 7.766 -7.099 6.881 814 HA ASN 109 HA ASN 109 7.455 -7.928 9.587 815 HB2 ASN 109 HB2 ASN 109 6.128 -5.772 7.954 816 HB3 ASN 109 HB3 ASN 109 5.711 -6.065 9.639 817 HD21 ASN 109 HD21 ASN 109 6.749 -3.655 8.686 818 HD22 ASN 109 HD22 ASN 109 8.308 -3.417 9.390 819 H TYR 110 H TYR 110 5.771 -8.753 6.724 820 HA TYR 110 HA TYR 110 3.191 -9.242 7.723 821 HB2 TYR 110 HB2 TYR 110 3.627 -9.248 5.332 822 HB3 TYR 110 HB3 TYR 110 4.704 -10.630 5.497 823 HD1 TYR 110 HD1 TYR 110 1.145 -9.601 5.945 824 HD2 TYR 110 HD2 TYR 110 3.872 -12.804 5.282 825 HE1 TYR 110 HE1 TYR 110 -0.740 -11.122 5.555 826 HE2 TYR 110 HE2 TYR 110 1.986 -14.329 4.886 827 HH TYR 110 HH TYR 110 -0.941 -13.476 4.119 828 H GLY 111 H GLY 111 6.019 -11.383 7.497 829 HA2 GLY 111 HA2 GLY 111 6.598 -13.259 8.677 830 HA3 GLY 111 HA3 GLY 111 5.471 -12.723 9.907 831 H ALA 112 H ALA 112 4.115 -14.275 10.419 832 HA ALA 112 HA ALA 112 3.615 -16.557 8.838 833 HB1 ALA 112 HB1 ALA 112 1.979 -15.572 11.169 834 HB2 ALA 112 HB2 ALA 112 3.490 -16.470 11.322 835 HB3 ALA 112 HB3 ALA 112 2.089 -17.224 10.561 836 H VAL 113 H VAL 113 1.815 -17.227 7.710 837 HA VAL 113 HA VAL 113 0.310 -15.146 6.421 838 HB VAL 113 HB VAL 113 -0.756 -17.034 5.165 839 HG11 VAL 113 HG11 VAL 113 2.195 -16.601 5.261 840 HG12 VAL 113 HG12 VAL 113 1.031 -16.152 4.015 841 HG13 VAL 113 HG13 VAL 113 1.535 -17.833 4.184 842 HG21 VAL 113 HG21 VAL 113 1.249 -18.941 6.224 843 HG22 VAL 113 HG22 VAL 113 -0.379 -19.229 5.610 844 HG23 VAL 113 HG23 VAL 113 -0.151 -18.605 7.244 845 H LEU 114 H LEU 114 -2.004 -15.040 6.319 846 HA LEU 114 HA LEU 114 -3.271 -15.996 8.797 847 HB2 LEU 114 HB2 LEU 114 -4.044 -13.663 7.041 848 HB3 LEU 114 HB3 LEU 114 -4.866 -14.145 8.511 849 HG LEU 114 HG LEU 114 -2.020 -13.140 8.352 850 HD11 LEU 114 HD11 LEU 114 -3.761 -11.431 7.893 851 HD12 LEU 114 HD12 LEU 114 -2.840 -11.123 9.364 852 HD13 LEU 114 HD13 LEU 114 -4.470 -11.785 9.468 853 HD21 LEU 114 HD21 LEU 114 -2.105 -14.580 10.201 854 HD22 LEU 114 HD22 LEU 114 -3.739 -14.072 10.634 855 HD23 LEU 114 HD23 LEU 114 -2.381 -12.973 10.873 856 H SER 115 H SER 115 -5.014 -17.280 8.707 857 HA SER 115 HA SER 115 -5.833 -18.317 6.140 858 HB2 SER 115 HB2 SER 115 -6.758 -19.012 8.939 859 HB3 SER 115 HB3 SER 115 -7.192 -19.894 7.476 860 HG SER 115 HG SER 115 -4.496 -19.545 7.755 861 HA PRO 116 HA PRO 116 -9.241 -15.498 5.556 862 HB2 PRO 116 HB2 PRO 116 -10.367 -17.814 4.050 863 HB3 PRO 116 HB3 PRO 116 -10.154 -16.136 3.538 864 HG2 PRO 116 HG2 PRO 116 -8.515 -17.999 2.625 865 HG3 PRO 116 HG3 PRO 116 -7.875 -16.418 3.119 866 HD2 PRO 116 HD2 PRO 116 -7.820 -19.028 4.596 867 HD3 PRO 116 HD3 PRO 116 -6.543 -17.802 4.424 868 H SER 117 H SER 117 -11.113 -15.115 6.599 869 HA SER 117 HA SER 117 -12.021 -16.927 8.591 870 HB2 SER 117 HB2 SER 117 -13.722 -15.202 9.067 871 HB3 SER 117 HB3 SER 117 -12.106 -14.509 8.933 872 HG SER 117 HG SER 117 -13.749 -13.325 7.788 873 H GLU 118 H GLU 118 -13.068 -16.181 5.343 874 HA GLU 118 HA GLU 118 -15.194 -18.200 5.634 875 HB2 GLU 118 HB2 GLU 118 -15.345 -15.660 3.994 876 HB3 GLU 118 HB3 GLU 118 -16.565 -16.925 4.026 877 HG2 GLU 118 HG2 GLU 118 -15.726 -15.334 6.438 878 HG3 GLU 118 HG3 GLU 118 -17.101 -14.929 5.410 879 H LYS 119 H LYS 119 -15.578 -19.519 3.837 880 HA LYS 119 HA LYS 119 -13.319 -20.197 2.297 881 HB2 LYS 119 HB2 LYS 119 -16.228 -20.966 2.041 882 HB3 LYS 119 HB3 LYS 119 -14.964 -21.643 1.024 883 HG2 LYS 119 HG2 LYS 119 -13.844 -22.537 3.003 884 HG3 LYS 119 HG3 LYS 119 -15.111 -21.855 4.026 885 HD2 LYS 119 HD2 LYS 119 -16.774 -23.257 2.933 886 HD3 LYS 119 HD3 LYS 119 -15.540 -23.903 1.851 887 HE2 LYS 119 HE2 LYS 119 -15.980 -25.474 3.640 888 HE3 LYS 119 HE3 LYS 119 -14.347 -24.829 3.791 889 HZ1 LYS 119 HZ1 LYS 119 -16.466 -23.448 5.247 890 HZ2 LYS 119 HZ2 LYS 119 -14.857 -23.730 5.688 891 HZ3 LYS 119 HZ3 LYS 119 -16.002 -24.968 5.828 892 H SER 120 H SER 120 -16.212 -18.313 1.532 893 HA SER 120 HA SER 120 -14.863 -17.391 -0.907 894 HB2 SER 120 HB2 SER 120 -17.784 -18.168 -0.695 895 HB3 SER 120 HB3 SER 120 -17.035 -17.407 -2.101 896 HG SER 120 HG SER 120 -15.597 -19.547 -1.395 897 H TYR 121 H TYR 121 -15.341 -15.273 -1.555 898 HA TYR 121 HA TYR 121 -16.857 -13.653 0.377 899 HB2 TYR 121 HB2 TYR 121 -14.211 -12.942 -0.910 900 HB3 TYR 121 HB3 TYR 121 -15.206 -11.812 -0.005 901 HD1 TYR 121 HD1 TYR 121 -12.742 -14.442 0.198 902 HD2 TYR 121 HD2 TYR 121 -15.592 -12.216 2.442 903 HE1 TYR 121 HE1 TYR 121 -11.627 -15.121 2.282 904 HE2 TYR 121 HE2 TYR 121 -14.484 -12.889 4.529 905 HH TYR 121 HH TYR 121 -12.845 -14.066 5.453 906 H GLN 122 H GLN 122 -17.841 -11.752 -0.479 907 HA GLN 122 HA GLN 122 -17.881 -11.492 -3.386 908 HB2 GLN 122 HB2 GLN 122 -20.337 -11.450 -3.450 909 HB3 GLN 122 HB3 GLN 122 -19.737 -13.003 -2.892 910 HG2 GLN 122 HG2 GLN 122 -20.211 -12.336 -0.576 911 HG3 GLN 122 HG3 GLN 122 -20.852 -10.802 -1.165 912 HE21 GLN 122 HE21 GLN 122 -22.756 -11.578 0.043 913 HE22 GLN 122 HE22 GLN 122 -23.886 -12.591 -0.782 914 H GLU 123 H GLU 123 -18.839 -9.460 -4.107 915 HA GLU 123 HA GLU 123 -18.826 -7.394 -2.008 916 HB2 GLU 123 HB2 GLU 123 -17.587 -7.288 -4.764 917 HB3 GLU 123 HB3 GLU 123 -17.848 -5.863 -3.769 918 HG2 GLU 123 HG2 GLU 123 -16.343 -6.674 -2.093 919 HG3 GLU 123 HG3 GLU 123 -16.197 -8.227 -2.912 920 H GLY 124 H GLY 124 -20.289 -5.693 -2.248 921 HA2 GLY 124 HA2 GLY 124 -21.849 -5.224 -4.550 922 HA3 GLY 124 HA3 GLY 124 -22.740 -6.281 -3.465 Start of MODEL 4 1 H1 SER 1 HT1 SER 1 6.254 3.320 -19.165 2 H2 SER 1 HT2 SER 1 5.780 2.146 -20.285 3 H3 SER 1 HT3 SER 1 5.589 3.788 -20.649 4 HA SER 1 HA SER 1 8.159 2.350 -20.300 5 HB2 SER 1 HB2 SER 1 7.838 3.672 -22.831 6 HB3 SER 1 HB3 SER 1 8.077 1.954 -22.508 7 HG SER 1 HG SER 1 5.573 2.617 -21.873 8 H GLU 2 H GLU 2 6.627 5.119 -19.562 9 HA GLU 2 HA GLU 2 9.042 6.751 -19.997 10 HB2 GLU 2 HB2 GLU 2 6.170 7.701 -19.886 11 HB3 GLU 2 HB3 GLU 2 7.580 8.739 -20.043 12 HG2 GLU 2 HG2 GLU 2 6.803 6.627 -22.041 13 HG3 GLU 2 HG3 GLU 2 6.371 8.330 -22.171 14 H PHE 3 H PHE 3 9.791 7.981 -18.299 15 HA PHE 3 HA PHE 3 8.389 7.695 -15.729 16 HB2 PHE 3 HB2 PHE 3 11.368 7.407 -16.189 17 HB3 PHE 3 HB3 PHE 3 10.595 7.459 -14.611 18 HD1 PHE 3 HD1 PHE 3 11.399 5.422 -17.488 19 HD2 PHE 3 HD2 PHE 3 9.111 5.608 -13.903 20 HE1 PHE 3 HE1 PHE 3 11.088 2.982 -17.566 21 HE2 PHE 3 HE2 PHE 3 8.795 3.169 -13.974 22 HZ PHE 3 HZ PHE 3 9.785 1.854 -15.805 23 H GLY 4 H GLY 4 8.679 9.411 -14.244 24 HA2 GLY 4 HA2 GLY 4 10.284 11.697 -14.934 25 HA3 GLY 4 HA3 GLY 4 8.563 11.964 -15.180 26 H SER 5 H SER 5 9.673 13.608 -13.425 27 HA SER 5 HA SER 5 9.069 12.458 -10.781 28 HB2 SER 5 HB2 SER 5 10.808 14.835 -11.489 29 HB3 SER 5 HB3 SER 5 10.473 14.277 -9.849 30 HG SER 5 HG SER 5 11.526 12.336 -10.335 31 H MET 6 H MET 6 7.177 13.052 -9.960 32 HA MET 6 HA MET 6 6.105 15.710 -10.649 33 HB2 MET 6 HB2 MET 6 4.575 13.164 -10.079 34 HB3 MET 6 HB3 MET 6 3.845 14.741 -10.335 35 HG2 MET 6 HG2 MET 6 5.447 13.170 -12.341 36 HG3 MET 6 HG3 MET 6 3.698 13.394 -12.337 37 HE1 MET 6 HE1 MET 6 3.486 16.879 -11.831 38 HE2 MET 6 HE2 MET 6 2.555 15.495 -12.406 39 HE3 MET 6 HE3 MET 6 2.994 16.788 -13.521 40 H ALA 7 H ALA 7 7.698 14.381 -8.304 41 HA ALA 7 HA ALA 7 7.954 14.721 -6.082 42 HB1 ALA 7 HB1 ALA 7 5.729 16.715 -6.028 43 HB2 ALA 7 HB2 ALA 7 7.236 17.093 -6.864 44 HB3 ALA 7 HB3 ALA 7 7.254 16.712 -5.141 45 H GLY 8 H GLY 8 6.104 15.283 -4.038 46 HA2 GLY 8 HA2 GLY 8 3.729 13.818 -4.120 47 HA3 GLY 8 HA3 GLY 8 5.003 12.719 -3.608 48 H ASN 9 H ASN 9 3.362 12.783 -1.721 49 HA ASN 9 HA ASN 9 3.881 15.055 0.058 50 HB2 ASN 9 HB2 ASN 9 1.535 13.850 -0.459 51 HB3 ASN 9 HB3 ASN 9 2.057 12.866 0.907 52 HD21 ASN 9 HD21 ASN 9 -0.158 14.771 0.680 53 HD22 ASN 9 HD22 ASN 9 0.096 15.934 1.933 54 H CYS 10 H CYS 10 3.999 14.347 2.480 55 HA CYS 10 HA CYS 10 5.973 12.158 2.666 56 HB2 CYS 10 HB2 CYS 10 5.903 14.758 4.212 57 HB3 CYS 10 HB3 CYS 10 7.032 13.441 4.509 58 HG CYS 10 HG CYS 10 7.025 14.501 1.337 59 H GLY 11 H GLY 11 6.042 10.984 4.662 60 HA2 GLY 11 HA2 GLY 11 3.944 11.369 6.608 61 HA3 GLY 11 HA3 GLY 11 3.725 9.950 5.593 62 H ALA 12 H ALA 12 3.909 9.351 8.137 63 HA ALA 12 HA ALA 12 6.674 8.389 8.471 64 HB1 ALA 12 HB1 ALA 12 6.078 10.263 10.038 65 HB2 ALA 12 HB2 ALA 12 6.598 8.770 10.817 66 HB3 ALA 12 HB3 ALA 12 4.885 9.184 10.761 67 H ARG 13 H ARG 13 6.925 6.330 9.343 68 HA ARG 13 HA ARG 13 4.459 4.729 9.540 69 HB2 ARG 13 HB2 ARG 13 5.838 4.284 7.494 70 HB3 ARG 13 HB3 ARG 13 7.161 3.795 8.544 71 HG2 ARG 13 HG2 ARG 13 5.781 1.967 9.418 72 HG3 ARG 13 HG3 ARG 13 4.469 2.456 8.343 73 HD2 ARG 13 HD2 ARG 13 5.612 0.648 7.297 74 HD3 ARG 13 HD3 ARG 13 6.038 2.117 6.422 75 HE ARG 13 HE ARG 13 7.789 0.662 8.288 76 HH11 ARG 13 HH11 ARG 13 10.016 0.868 7.875 77 HH12 ARG 13 HH12 ARG 13 10.563 1.950 6.637 78 HH21 ARG 13 HH21 ARG 13 7.351 3.017 5.755 79 HH22 ARG 13 HH22 ARG 13 9.044 3.175 5.431 80 H GLY 14 H GLY 14 4.168 3.717 11.441 81 HA2 GLY 14 HA2 GLY 14 6.200 3.948 13.484 82 HA3 GLY 14 HA3 GLY 14 4.578 3.314 13.697 83 H ALA 15 H ALA 15 7.010 2.221 14.758 84 HA ALA 15 HA ALA 15 7.949 0.009 13.294 85 HB1 ALA 15 HB1 ALA 15 9.144 0.929 15.220 86 HB2 ALA 15 HB2 ALA 15 8.841 -0.798 15.416 87 HB3 ALA 15 HB3 ALA 15 7.853 0.376 16.287 88 H LEU 16 H LEU 16 5.296 0.341 15.602 89 HA LEU 16 HA LEU 16 4.614 -2.467 15.438 90 HB2 LEU 16 HB2 LEU 16 3.139 -0.164 16.730 91 HB3 LEU 16 HB3 LEU 16 2.724 -1.859 16.901 92 HG LEU 16 HG LEU 16 5.290 -0.586 17.868 93 HD11 LEU 16 HD11 LEU 16 4.396 -0.859 20.087 94 HD12 LEU 16 HD12 LEU 16 2.928 -1.594 19.446 95 HD13 LEU 16 HD13 LEU 16 3.277 0.105 19.124 96 HD21 LEU 16 HD21 LEU 16 5.392 -2.827 19.126 97 HD22 LEU 16 HD22 LEU 16 5.833 -2.810 17.417 98 HD23 LEU 16 HD23 LEU 16 4.245 -3.397 17.913 99 H SER 17 H SER 17 2.775 -3.321 14.404 100 HA SER 17 HA SER 17 1.958 -1.818 12.087 101 HB2 SER 17 HB2 SER 17 0.599 -3.942 11.648 102 HB3 SER 17 HB3 SER 17 2.356 -4.114 11.691 103 HG SER 17 HG SER 17 0.651 -4.594 13.912 104 H ALA 18 H ALA 18 0.496 -0.270 12.358 105 HA ALA 18 HA ALA 18 -1.758 -0.643 14.169 106 HB1 ALA 18 HB1 ALA 18 -2.213 1.684 13.858 107 HB2 ALA 18 HB2 ALA 18 -1.123 1.769 12.476 108 HB3 ALA 18 HB3 ALA 18 -0.474 1.508 14.095 109 H HIS 19 H HIS 19 -0.990 -1.236 11.002 110 HA HIS 19 HA HIS 19 -3.735 -0.905 10.021 111 HB2 HIS 19 HB2 HIS 19 -1.136 -1.253 8.523 112 HB3 HIS 19 HB3 HIS 19 -2.720 -1.169 7.759 113 HD2 HIS 19 HD2 HIS 19 -3.762 1.352 7.456 114 HE1 HIS 19 HE1 HIS 19 -0.565 3.460 9.213 115 H THR 20 H THR 20 -2.611 -3.222 11.686 116 HA THR 20 HA THR 20 -2.608 -5.410 9.803 117 HB THR 20 HB THR 20 -1.131 -5.704 11.625 118 HG1 THR 20 HG1 THR 20 -3.330 -7.335 12.366 119 HG21 THR 20 HG21 THR 20 -3.458 -4.866 13.295 120 HG22 THR 20 HG22 THR 20 -1.770 -4.355 13.377 121 HG23 THR 20 HG23 THR 20 -2.245 -5.937 13.996 122 H LEU 21 H LEU 21 -4.386 -6.167 8.938 123 HA LEU 21 HA LEU 21 -6.585 -7.043 10.593 124 HB2 LEU 21 HB2 LEU 21 -6.883 -4.844 8.579 125 HB3 LEU 21 HB3 LEU 21 -8.210 -5.957 8.855 126 HG LEU 21 HG LEU 21 -6.922 -4.338 11.055 127 HD11 LEU 21 HD11 LEU 21 -7.999 -2.938 9.259 128 HD12 LEU 21 HD12 LEU 21 -8.673 -2.755 10.880 129 HD13 LEU 21 HD13 LEU 21 -9.523 -3.723 9.675 130 HD21 LEU 21 HD21 LEU 21 -9.159 -6.272 10.877 131 HD22 LEU 21 HD22 LEU 21 -9.387 -4.866 11.918 132 HD23 LEU 21 HD23 LEU 21 -8.029 -5.958 12.195 133 H LEU 22 H LEU 22 -8.220 -8.287 9.195 134 HA LEU 22 HA LEU 22 -6.828 -10.268 7.767 135 HB2 LEU 22 HB2 LEU 22 -8.890 -10.732 8.945 136 HB3 LEU 22 HB3 LEU 22 -9.779 -9.662 7.878 137 HG LEU 22 HG LEU 22 -9.304 -11.188 5.985 138 HD11 LEU 22 HD11 LEU 22 -8.565 -13.543 6.726 139 HD12 LEU 22 HD12 LEU 22 -7.882 -12.723 8.131 140 HD13 LEU 22 HD13 LEU 22 -7.331 -12.300 6.509 141 HD21 LEU 22 HD21 LEU 22 -10.644 -12.429 8.384 142 HD22 LEU 22 HD22 LEU 22 -10.810 -12.997 6.724 143 HD23 LEU 22 HD23 LEU 22 -11.398 -11.396 7.169 144 H PHE 23 H PHE 23 -9.037 -7.737 6.497 145 HA PHE 23 HA PHE 23 -8.473 -8.528 3.773 146 HB2 PHE 23 HB2 PHE 23 -10.086 -6.249 4.930 147 HB3 PHE 23 HB3 PHE 23 -9.897 -6.525 3.200 148 HD1 PHE 23 HD1 PHE 23 -11.528 -7.615 6.259 149 HD2 PHE 23 HD2 PHE 23 -10.886 -8.505 2.146 150 HE1 PHE 23 HE1 PHE 23 -13.423 -9.181 6.306 151 HE2 PHE 23 HE2 PHE 23 -12.782 -10.072 2.184 152 HZ PHE 23 HZ PHE 23 -14.054 -10.412 4.267 153 H ASP 24 H ASP 24 -7.543 -5.994 5.962 154 HA ASP 24 HA ASP 24 -5.673 -4.964 3.957 155 HB2 ASP 24 HB2 ASP 24 -5.574 -2.903 5.512 156 HB3 ASP 24 HB3 ASP 24 -6.956 -3.087 4.445 157 H LEU 25 H LEU 25 -4.403 -6.823 4.599 158 HA LEU 25 HA LEU 25 -3.314 -7.462 7.002 159 HB2 LEU 25 HB2 LEU 25 -1.880 -7.334 4.349 160 HB3 LEU 25 HB3 LEU 25 -1.307 -8.216 5.753 161 HG LEU 25 HG LEU 25 -3.890 -8.790 4.309 162 HD11 LEU 25 HD11 LEU 25 -2.851 -10.619 3.268 163 HD12 LEU 25 HD12 LEU 25 -1.397 -10.453 4.250 164 HD13 LEU 25 HD13 LEU 25 -1.772 -9.247 3.020 165 HD21 LEU 25 HD21 LEU 25 -4.390 -9.835 6.216 166 HD22 LEU 25 HD22 LEU 25 -2.738 -9.713 6.820 167 HD23 LEU 25 HD23 LEU 25 -3.182 -11.022 5.727 168 HA PRO 26 HA PRO 26 -0.787 -4.441 8.995 169 HB2 PRO 26 HB2 PRO 26 1.710 -5.826 8.601 170 HB3 PRO 26 HB3 PRO 26 0.744 -5.696 10.067 171 HG2 PRO 26 HG2 PRO 26 0.862 -7.866 8.082 172 HG3 PRO 26 HG3 PRO 26 0.343 -7.918 9.776 173 HD2 PRO 26 HD2 PRO 26 -1.406 -8.145 7.748 174 HD3 PRO 26 HD3 PRO 26 -1.829 -7.304 9.256 175 HA PRO 27 HA PRO 27 1.131 -1.467 6.415 176 HB2 PRO 27 HB2 PRO 27 3.572 -1.703 8.116 177 HB3 PRO 27 HB3 PRO 27 2.694 -0.259 7.587 178 HG2 PRO 27 HG2 PRO 27 2.387 -1.187 10.044 179 HG3 PRO 27 HG3 PRO 27 0.999 -0.559 9.136 180 HD2 PRO 27 HD2 PRO 27 1.738 -3.382 9.759 181 HD3 PRO 27 HD3 PRO 27 0.135 -2.641 9.602 182 H ALA 28 H ALA 28 2.588 -4.536 6.710 183 HA ALA 28 HA ALA 28 4.950 -4.281 5.279 184 HB1 ALA 28 HB1 ALA 28 3.113 -6.444 5.974 185 HB2 ALA 28 HB2 ALA 28 4.877 -6.416 5.953 186 HB3 ALA 28 HB3 ALA 28 3.979 -6.713 4.462 187 H LEU 29 H LEU 29 1.597 -4.474 4.114 188 HA LEU 29 HA LEU 29 2.655 -4.153 1.390 189 HB2 LEU 29 HB2 LEU 29 0.883 -5.998 2.218 190 HB3 LEU 29 HB3 LEU 29 -0.222 -4.718 1.736 191 HG LEU 29 HG LEU 29 0.756 -4.685 -0.500 192 HD11 LEU 29 HD11 LEU 29 2.812 -6.238 0.812 193 HD12 LEU 29 HD12 LEU 29 2.853 -5.393 -0.733 194 HD13 LEU 29 HD13 LEU 29 2.227 -7.040 -0.645 195 HD21 LEU 29 HD21 LEU 29 -0.876 -6.140 -0.890 196 HD22 LEU 29 HD22 LEU 29 -0.650 -6.912 0.678 197 HD23 LEU 29 HD23 LEU 29 0.316 -7.425 -0.703 198 H LEU 30 H LEU 30 -0.522 -3.213 2.730 199 HA LEU 30 HA LEU 30 -0.752 -0.932 1.108 200 HB2 LEU 30 HB2 LEU 30 -2.681 -2.064 2.096 201 HB3 LEU 30 HB3 LEU 30 -2.151 -1.601 3.700 202 HG LEU 30 HG LEU 30 -2.506 0.780 3.101 203 HD11 LEU 30 HD11 LEU 30 -3.972 1.168 1.067 204 HD12 LEU 30 HD12 LEU 30 -3.438 -0.421 0.518 205 HD13 LEU 30 HD13 LEU 30 -2.260 0.865 0.776 206 HD21 LEU 30 HD21 LEU 30 -4.315 -1.021 3.942 207 HD22 LEU 30 HD22 LEU 30 -5.106 -0.454 2.473 208 HD23 LEU 30 HD23 LEU 30 -4.668 0.694 3.736 209 H GLY 31 H GLY 31 0.155 -1.128 4.570 210 HA2 GLY 31 HA2 GLY 31 0.273 1.643 5.006 211 HA3 GLY 31 HA3 GLY 31 1.117 0.435 5.956 212 H GLU 32 H GLU 32 2.974 -0.571 4.268 213 HA GLU 32 HA GLU 32 4.897 1.516 4.203 214 HB2 GLU 32 HB2 GLU 32 5.374 -0.866 4.718 215 HB3 GLU 32 HB3 GLU 32 5.107 -1.247 3.018 216 HG2 GLU 32 HG2 GLU 32 7.106 0.846 3.684 217 HG3 GLU 32 HG3 GLU 32 7.522 -0.837 3.994 218 H LEU 33 H LEU 33 3.129 -0.192 1.614 219 HA LEU 33 HA LEU 33 4.573 1.074 -0.465 220 HB2 LEU 33 HB2 LEU 33 1.859 -0.248 -0.518 221 HB3 LEU 33 HB3 LEU 33 2.687 0.364 -1.942 222 HG LEU 33 HG LEU 33 3.744 -1.808 -0.131 223 HD11 LEU 33 HD11 LEU 33 2.457 -1.981 -2.851 224 HD12 LEU 33 HD12 LEU 33 1.785 -2.571 -1.331 225 HD13 LEU 33 HD13 LEU 33 3.237 -3.314 -2.000 226 HD21 LEU 33 HD21 LEU 33 4.997 -0.179 -2.127 227 HD22 LEU 33 HD22 LEU 33 4.960 -1.860 -2.659 228 HD23 LEU 33 HD23 LEU 33 5.696 -1.440 -1.110 229 H CYS 34 H CYS 34 1.568 1.978 1.212 230 HA CYS 34 HA CYS 34 1.038 4.139 -0.581 231 HB2 CYS 34 HB2 CYS 34 -0.725 4.788 0.875 232 HB3 CYS 34 HB3 CYS 34 -0.694 3.027 0.878 233 HG CYS 34 HG CYS 34 0.960 3.173 3.349 234 H ALA 35 H ALA 35 2.922 3.813 2.354 235 HA ALA 35 HA ALA 35 3.191 6.678 2.691 236 HB1 ALA 35 HB1 ALA 35 3.513 4.416 4.349 237 HB2 ALA 35 HB2 ALA 35 3.599 6.124 4.790 238 HB3 ALA 35 HB3 ALA 35 5.058 5.263 4.299 239 H VAL 36 H VAL 36 5.493 4.012 2.044 240 HA VAL 36 HA VAL 36 7.714 5.710 1.666 241 HB VAL 36 HB VAL 36 7.242 2.848 0.825 242 HG11 VAL 36 HG11 VAL 36 9.086 4.462 -0.387 243 HG12 VAL 36 HG12 VAL 36 9.242 2.714 -0.200 244 HG13 VAL 36 HG13 VAL 36 10.016 3.798 0.956 245 HG21 VAL 36 HG21 VAL 36 7.386 3.482 3.259 246 HG22 VAL 36 HG22 VAL 36 9.056 3.961 2.953 247 HG23 VAL 36 HG23 VAL 36 8.559 2.285 2.709 248 H LEU 37 H LEU 37 5.520 4.215 -0.732 249 HA LEU 37 HA LEU 37 6.952 5.316 -2.936 250 HB2 LEU 37 HB2 LEU 37 4.143 4.248 -2.834 251 HB3 LEU 37 HB3 LEU 37 5.001 4.678 -4.300 252 HG LEU 37 HG LEU 37 5.747 2.460 -2.392 253 HD11 LEU 37 HD11 LEU 37 3.763 2.459 -4.226 254 HD12 LEU 37 HD12 LEU 37 4.681 1.033 -3.743 255 HD13 LEU 37 HD13 LEU 37 5.126 1.914 -5.204 256 HD21 LEU 37 HD21 LEU 37 7.063 3.508 -4.890 257 HD22 LEU 37 HD22 LEU 37 7.353 1.886 -4.262 258 HD23 LEU 37 HD23 LEU 37 7.774 3.296 -3.290 259 H ASP 38 H ASP 38 4.604 6.576 -0.777 260 HA ASP 38 HA ASP 38 3.415 8.535 -2.398 261 HB2 ASP 38 HB2 ASP 38 2.670 7.864 -0.078 262 HB3 ASP 38 HB3 ASP 38 4.018 8.801 0.559 263 H SER 39 H SER 39 6.403 8.511 -0.549 264 HA SER 39 HA SER 39 7.012 11.267 -1.206 265 HB2 SER 39 HB2 SER 39 9.068 10.898 0.090 266 HB3 SER 39 HB3 SER 39 7.648 10.372 0.994 267 HG SER 39 HG SER 39 8.421 8.263 -0.329 268 H CYS 40 H CYS 40 7.052 8.560 -2.965 269 HA CYS 40 HA CYS 40 9.624 8.466 -4.114 270 HB2 CYS 40 HB2 CYS 40 8.059 6.614 -4.329 271 HB3 CYS 40 HB3 CYS 40 6.963 7.623 -5.277 272 HG CYS 40 HG CYS 40 8.187 5.854 -7.015 273 H ASP 41 H ASP 41 10.473 9.354 -5.921 274 HA ASP 41 HA ASP 41 8.933 11.467 -7.253 275 HB2 ASP 41 HB2 ASP 41 10.702 12.230 -5.484 276 HB3 ASP 41 HB3 ASP 41 11.872 11.805 -6.732 277 H GLY 42 H GLY 42 9.272 8.832 -8.123 278 HA2 GLY 42 HA2 GLY 42 9.490 8.134 -10.393 279 HA3 GLY 42 HA3 GLY 42 10.780 9.306 -10.596 280 H ALA 43 H ALA 43 11.809 8.219 -7.864 281 HA ALA 43 HA ALA 43 13.788 6.518 -8.919 282 HB1 ALA 43 HB1 ALA 43 14.103 7.863 -6.890 283 HB2 ALA 43 HB2 ALA 43 14.485 6.162 -6.620 284 HB3 ALA 43 HB3 ALA 43 12.960 6.826 -6.035 285 H LEU 44 H LEU 44 10.841 5.794 -7.089 286 HA LEU 44 HA LEU 44 11.247 2.932 -7.656 287 HB2 LEU 44 HB2 LEU 44 9.498 4.276 -5.577 288 HB3 LEU 44 HB3 LEU 44 9.553 2.550 -5.870 289 HG LEU 44 HG LEU 44 11.973 4.144 -5.014 290 HD11 LEU 44 HD11 LEU 44 10.125 4.200 -3.334 291 HD12 LEU 44 HD12 LEU 44 11.597 3.402 -2.782 292 HD13 LEU 44 HD13 LEU 44 10.204 2.439 -3.273 293 HD21 LEU 44 HD21 LEU 44 12.656 1.786 -4.288 294 HD22 LEU 44 HD22 LEU 44 12.703 2.161 -6.011 295 HD23 LEU 44 HD23 LEU 44 11.363 1.226 -5.348 296 H GLY 45 H GLY 45 9.334 5.677 -8.300 297 HA2 GLY 45 HA2 GLY 45 7.672 6.008 -9.858 298 HA3 GLY 45 HA3 GLY 45 7.786 4.304 -10.277 299 H TRP 46 H TRP 46 5.942 6.691 -8.662 300 HA TRP 46 HA TRP 46 4.546 5.252 -6.746 301 HB2 TRP 46 HB2 TRP 46 2.552 6.763 -7.409 302 HB3 TRP 46 HB3 TRP 46 4.039 7.533 -6.825 303 HD1 TRP 46 HD1 TRP 46 1.847 7.193 -9.923 304 HE1 TRP 46 HE1 TRP 46 2.631 8.888 -11.694 305 HE3 TRP 46 HE3 TRP 46 6.144 8.798 -7.665 306 HZ2 TRP 46 HZ2 TRP 46 4.786 10.661 -12.087 307 HZ3 TRP 46 HZ3 TRP 46 7.511 10.494 -8.809 308 HH2 TRP 46 HH2 TRP 46 6.845 11.402 -10.974 309 H ARG 47 H ARG 47 3.727 5.533 -10.220 310 HA ARG 47 HA ARG 47 1.774 3.408 -9.989 311 HB2 ARG 47 HB2 ARG 47 1.586 3.657 -12.494 312 HB3 ARG 47 HB3 ARG 47 1.133 5.067 -11.550 313 HG2 ARG 47 HG2 ARG 47 2.675 6.322 -12.532 314 HG3 ARG 47 HG3 ARG 47 3.933 5.108 -12.307 315 HD2 ARG 47 HD2 ARG 47 1.866 4.588 -14.370 316 HD3 ARG 47 HD3 ARG 47 3.050 5.848 -14.712 317 HE ARG 47 HE ARG 47 3.654 3.007 -14.241 318 HH11 ARG 47 HH11 ARG 47 5.579 2.266 -15.212 319 HH12 ARG 47 HH12 ARG 47 6.615 3.389 -16.029 320 HH21 ARG 47 HH21 ARG 47 4.585 6.167 -15.393 321 HH22 ARG 47 HH22 ARG 47 6.049 5.612 -16.139 322 H GLY 48 H GLY 48 5.036 3.346 -10.051 323 HA2 GLY 48 HA2 GLY 48 5.719 1.604 -12.136 324 HA3 GLY 48 HA3 GLY 48 6.597 1.757 -10.623 325 H LEU 49 H LEU 49 4.631 0.856 -8.843 326 HA LEU 49 HA LEU 49 4.816 -1.977 -9.345 327 HB2 LEU 49 HB2 LEU 49 3.607 -0.463 -7.028 328 HB3 LEU 49 HB3 LEU 49 3.839 -2.199 -7.089 329 HG LEU 49 HG LEU 49 6.056 -0.139 -7.150 330 HD11 LEU 49 HD11 LEU 49 6.131 -1.932 -4.929 331 HD12 LEU 49 HD12 LEU 49 4.560 -1.134 -4.986 332 HD13 LEU 49 HD13 LEU 49 6.038 -0.172 -4.941 333 HD21 LEU 49 HD21 LEU 49 7.362 -2.336 -6.612 334 HD22 LEU 49 HD22 LEU 49 6.966 -1.921 -8.281 335 HD23 LEU 49 HD23 LEU 49 5.996 -3.112 -7.415 336 H ALA 50 H ALA 50 2.217 0.423 -9.035 337 HA ALA 50 HA ALA 50 0.053 -1.368 -9.255 338 HB1 ALA 50 HB1 ALA 50 0.180 1.536 -10.030 339 HB2 ALA 50 HB2 ALA 50 -0.199 0.901 -8.428 340 HB3 ALA 50 HB3 ALA 50 -1.289 0.594 -9.780 341 H GLU 51 H GLU 51 1.824 0.427 -11.733 342 HA GLU 51 HA GLU 51 0.132 -0.110 -13.893 343 HB2 GLU 51 HB2 GLU 51 1.864 1.640 -13.938 344 HB3 GLU 51 HB3 GLU 51 3.117 0.402 -13.895 345 HG2 GLU 51 HG2 GLU 51 2.890 1.220 -16.136 346 HG3 GLU 51 HG3 GLU 51 2.319 -0.446 -16.073 347 H ARG 52 H ARG 52 2.923 -1.903 -12.616 348 HA ARG 52 HA ARG 52 3.045 -3.850 -14.657 349 HB2 ARG 52 HB2 ARG 52 3.914 -3.949 -11.768 350 HB3 ARG 52 HB3 ARG 52 4.204 -5.258 -12.899 351 HG2 ARG 52 HG2 ARG 52 5.516 -3.721 -14.305 352 HG3 ARG 52 HG3 ARG 52 5.267 -2.450 -13.107 353 HD2 ARG 52 HD2 ARG 52 6.381 -3.844 -11.415 354 HD3 ARG 52 HD3 ARG 52 6.650 -5.088 -12.633 355 HE ARG 52 HE ARG 52 8.097 -2.604 -12.323 356 HH11 ARG 52 HH11 ARG 52 9.938 -2.313 -13.633 357 HH12 ARG 52 HH12 ARG 52 10.213 -3.374 -14.973 358 HH21 ARG 52 HH21 ARG 52 7.327 -5.280 -14.421 359 HH22 ARG 52 HH22 ARG 52 8.723 -5.066 -15.425 360 H LEU 53 H LEU 53 1.240 -3.705 -11.623 361 HA LEU 53 HA LEU 53 0.258 -6.372 -11.755 362 HB2 LEU 53 HB2 LEU 53 0.423 -4.786 -9.732 363 HB3 LEU 53 HB3 LEU 53 -1.099 -4.120 -10.301 364 HG LEU 53 HG LEU 53 -1.100 -7.047 -10.027 365 HD11 LEU 53 HD11 LEU 53 -0.535 -5.257 -7.691 366 HD12 LEU 53 HD12 LEU 53 0.216 -6.793 -8.123 367 HD13 LEU 53 HD13 LEU 53 -1.433 -6.764 -7.499 368 HD21 LEU 53 HD21 LEU 53 -3.280 -6.700 -9.255 369 HD22 LEU 53 HD22 LEU 53 -3.048 -5.446 -10.473 370 HD23 LEU 53 HD23 LEU 53 -2.938 -5.042 -8.759 371 H SER 54 H SER 54 -1.201 -3.224 -12.616 372 HA SER 54 HA SER 54 -2.932 -4.610 -14.503 373 HB2 SER 54 HB2 SER 54 -4.037 -2.897 -12.265 374 HB3 SER 54 HB3 SER 54 -4.972 -3.457 -13.651 375 HG SER 54 HG SER 54 -3.696 -5.533 -12.529 376 H SER 55 H SER 55 -3.794 -3.261 -16.140 377 HA SER 55 HA SER 55 -2.901 -0.469 -16.105 378 HB2 SER 55 HB2 SER 55 -2.122 -0.668 -18.447 379 HB3 SER 55 HB3 SER 55 -1.202 -1.712 -17.361 380 HG SER 55 HG SER 55 -3.467 -2.713 -18.706 381 H SER 56 H SER 56 -4.256 0.955 -17.134 382 HA SER 56 HA SER 56 -6.442 -0.004 -18.776 383 HB2 SER 56 HB2 SER 56 -6.955 1.416 -16.148 384 HB3 SER 56 HB3 SER 56 -8.174 1.117 -17.383 385 HG SER 56 HG SER 56 -6.879 -1.166 -16.791 386 H TRP 57 H TRP 57 -7.677 1.834 -19.729 387 HA TRP 57 HA TRP 57 -5.861 3.888 -20.544 388 HB2 TRP 57 HB2 TRP 57 -8.786 3.405 -21.125 389 HB3 TRP 57 HB3 TRP 57 -7.891 4.762 -21.794 390 HD1 TRP 57 HD1 TRP 57 -8.473 1.061 -22.252 391 HE1 TRP 57 HE1 TRP 57 -7.204 0.249 -24.340 392 HE3 TRP 57 HE3 TRP 57 -5.674 5.240 -23.183 393 HZ2 TRP 57 HZ2 TRP 57 -5.273 1.246 -26.142 394 HZ3 TRP 57 HZ3 TRP 57 -4.142 5.228 -25.108 395 HH2 TRP 57 HH2 TRP 57 -3.946 3.272 -26.555 396 H LEU 58 H LEU 58 -5.703 5.945 -19.896 397 HA LEU 58 HA LEU 58 -5.913 7.838 -18.672 398 HB2 LEU 58 HB2 LEU 58 -8.702 6.982 -19.081 399 HB3 LEU 58 HB3 LEU 58 -8.450 8.096 -17.753 400 HG LEU 58 HG LEU 58 -7.238 9.595 -19.424 401 HD11 LEU 58 HD11 LEU 58 -7.272 7.510 -21.081 402 HD12 LEU 58 HD12 LEU 58 -7.265 9.178 -21.652 403 HD13 LEU 58 HD13 LEU 58 -8.780 8.277 -21.579 404 HD21 LEU 58 HD21 LEU 58 -10.181 9.012 -19.546 405 HD22 LEU 58 HD22 LEU 58 -9.451 10.350 -20.433 406 HD23 LEU 58 HD23 LEU 58 -9.347 10.297 -18.674 407 H ASP 59 H ASP 59 -5.677 5.030 -17.366 408 HA ASP 59 HA ASP 59 -6.748 5.204 -14.759 409 HB2 ASP 59 HB2 ASP 59 -5.908 3.109 -15.816 410 HB3 ASP 59 HB3 ASP 59 -4.264 3.707 -15.621 411 H VAL 60 H VAL 60 -3.663 6.228 -16.116 412 HA VAL 60 HA VAL 60 -2.402 6.874 -13.683 413 HB VAL 60 HB VAL 60 -0.829 8.202 -15.034 414 HG11 VAL 60 HG11 VAL 60 -0.561 6.094 -16.773 415 HG12 VAL 60 HG12 VAL 60 -1.494 5.394 -15.450 416 HG13 VAL 60 HG13 VAL 60 0.065 6.155 -15.125 417 HG21 VAL 60 HG21 VAL 60 -2.187 7.361 -17.546 418 HG22 VAL 60 HG22 VAL 60 -1.116 8.730 -17.244 419 HG23 VAL 60 HG23 VAL 60 -2.792 8.787 -16.704 420 H ASP 61 H ASP 61 -4.848 8.529 -15.444 421 HA ASP 61 HA ASP 61 -4.308 11.192 -14.714 422 HB2 ASP 61 HB2 ASP 61 -5.988 10.542 -16.416 423 HB3 ASP 61 HB3 ASP 61 -7.009 9.884 -15.140 424 H HIS 62 H HIS 62 -6.278 8.703 -13.105 425 HA HIS 62 HA HIS 62 -6.893 10.340 -10.859 426 HB2 HIS 62 HB2 HIS 62 -8.085 8.167 -11.771 427 HB3 HIS 62 HB3 HIS 62 -6.971 7.356 -10.673 428 HD2 HIS 62 HD2 HIS 62 -7.823 7.240 -8.118 429 HE1 HIS 62 HE1 HIS 62 -10.852 10.160 -8.330 430 H ILE 63 H ILE 63 -4.305 8.155 -11.692 431 HA ILE 63 HA ILE 63 -3.210 7.683 -9.152 432 HB ILE 63 HB ILE 63 -1.884 7.837 -11.864 433 HG12 ILE 63 HG12 ILE 63 -2.446 5.455 -10.085 434 HG13 ILE 63 HG13 ILE 63 -3.514 5.981 -11.386 435 HG21 ILE 63 HG21 ILE 63 -0.245 6.356 -10.157 436 HG22 ILE 63 HG22 ILE 63 -0.640 7.829 -9.271 437 HG23 ILE 63 HG23 ILE 63 0.097 7.932 -10.870 438 HD11 ILE 63 HD11 ILE 63 -1.241 4.288 -11.518 439 HD12 ILE 63 HD12 ILE 63 -0.926 5.731 -12.480 440 HD13 ILE 63 HD13 ILE 63 -2.357 4.750 -12.803 441 H GLU 64 H GLU 64 -2.680 10.300 -11.479 442 HA GLU 64 HA GLU 64 -0.727 11.686 -9.964 443 HB2 GLU 64 HB2 GLU 64 -2.613 12.614 -12.136 444 HB3 GLU 64 HB3 GLU 64 -1.349 13.624 -11.447 445 HG2 GLU 64 HG2 GLU 64 -0.940 11.031 -12.925 446 HG3 GLU 64 HG3 GLU 64 -0.644 12.650 -13.555 447 H LYS 65 H LYS 65 -4.239 11.794 -10.037 448 HA LYS 65 HA LYS 65 -4.650 14.202 -8.668 449 HB2 LYS 65 HB2 LYS 65 -6.334 11.727 -8.952 450 HB3 LYS 65 HB3 LYS 65 -6.907 13.177 -8.141 451 HG2 LYS 65 HG2 LYS 65 -6.616 14.464 -10.178 452 HG3 LYS 65 HG3 LYS 65 -5.970 13.042 -11.002 453 HD2 LYS 65 HD2 LYS 65 -8.099 11.892 -10.704 454 HD3 LYS 65 HD3 LYS 65 -8.747 13.285 -9.845 455 HE2 LYS 65 HE2 LYS 65 -8.467 14.655 -11.848 456 HE3 LYS 65 HE3 LYS 65 -7.796 13.270 -12.706 457 HZ1 LYS 65 HZ1 LYS 65 -10.229 12.456 -11.660 458 HZ2 LYS 65 HZ2 LYS 65 -9.848 12.737 -13.284 459 HZ3 LYS 65 HZ3 LYS 65 -10.502 13.981 -12.341 460 H GLU 66 H GLU 66 -4.557 10.869 -7.262 461 HA GLU 66 HA GLU 66 -4.822 12.092 -4.633 462 HB2 GLU 66 HB2 GLU 66 -4.455 9.130 -4.906 463 HB3 GLU 66 HB3 GLU 66 -5.351 10.052 -3.716 464 HG2 GLU 66 HG2 GLU 66 -6.967 10.664 -5.556 465 HG3 GLU 66 HG3 GLU 66 -6.165 9.437 -6.537 466 H VAL 67 H VAL 67 -2.209 11.515 -6.580 467 HA VAL 67 HA VAL 67 -0.357 10.286 -4.899 468 HB VAL 67 HB VAL 67 -0.024 10.934 -7.343 469 HG11 VAL 67 HG11 VAL 67 0.655 13.559 -6.050 470 HG12 VAL 67 HG12 VAL 67 -0.434 13.246 -7.403 471 HG13 VAL 67 HG13 VAL 67 1.308 13.076 -7.617 472 HG21 VAL 67 HG21 VAL 67 2.524 11.525 -6.739 473 HG22 VAL 67 HG22 VAL 67 1.839 9.905 -6.601 474 HG23 VAL 67 HG23 VAL 67 1.971 10.933 -5.172 475 H ASP 68 H ASP 68 -1.501 13.612 -4.899 476 HA ASP 68 HA ASP 68 0.403 14.377 -2.834 477 HB2 ASP 68 HB2 ASP 68 -1.765 15.903 -4.277 478 HB3 ASP 68 HB3 ASP 68 -0.856 16.587 -2.933 479 H GLN 69 H GLN 69 -2.441 12.736 -2.902 480 HA GLN 69 HA GLN 69 -3.415 13.812 -0.346 481 HB2 GLN 69 HB2 GLN 69 -4.812 12.026 -2.346 482 HB3 GLN 69 HB3 GLN 69 -5.513 12.618 -0.846 483 HG2 GLN 69 HG2 GLN 69 -4.629 14.316 -3.169 484 HG3 GLN 69 HG3 GLN 69 -6.292 13.895 -2.762 485 HE21 GLN 69 HE21 GLN 69 -4.187 16.329 -2.654 486 HE22 GLN 69 HE22 GLN 69 -4.740 17.168 -1.248 487 H GLY 70 H GLY 70 -1.132 11.850 -0.825 488 HA2 GLY 70 HA2 GLY 70 -0.442 10.333 0.912 489 HA3 GLY 70 HA3 GLY 70 -2.119 9.857 1.105 490 H LYS 71 H LYS 71 -0.955 10.125 -2.114 491 HA LYS 71 HA LYS 71 0.073 8.635 -3.562 492 HB2 LYS 71 HB2 LYS 71 1.131 7.260 -1.919 493 HB3 LYS 71 HB3 LYS 71 -0.410 6.595 -1.399 494 HG2 LYS 71 HG2 LYS 71 0.845 4.972 -2.701 495 HG3 LYS 71 HG3 LYS 71 -0.646 5.428 -3.526 496 HD2 LYS 71 HD2 LYS 71 1.202 5.285 -5.114 497 HD3 LYS 71 HD3 LYS 71 0.636 6.950 -4.970 498 HE2 LYS 71 HE2 LYS 71 2.646 6.564 -3.038 499 HE3 LYS 71 HE3 LYS 71 3.234 5.893 -4.553 500 HZ1 LYS 71 HZ1 LYS 71 3.853 8.157 -4.498 501 HZ2 LYS 71 HZ2 LYS 71 2.295 8.660 -4.059 502 HZ3 LYS 71 HZ3 LYS 71 2.579 8.041 -5.607 503 H SER 72 H SER 72 -0.784 7.671 -5.277 504 HA SER 72 HA SER 72 -3.542 6.668 -5.124 505 HB2 SER 72 HB2 SER 72 -3.193 9.014 -6.159 506 HB3 SER 72 HB3 SER 72 -2.498 8.145 -7.518 507 HG SER 72 HG SER 72 -4.694 8.422 -7.891 508 H GLY 73 H GLY 73 -0.346 6.515 -6.573 509 HA2 GLY 73 HA2 GLY 73 -0.784 4.694 -8.618 510 HA3 GLY 73 HA3 GLY 73 0.706 4.798 -7.682 511 H THR 74 H THR 74 0.475 3.760 -5.413 512 HA THR 74 HA THR 74 -0.458 1.071 -5.854 513 HB THR 74 HB THR 74 0.551 1.031 -3.331 514 HG1 THR 74 HG1 THR 74 2.067 2.567 -3.084 515 HG21 THR 74 HG21 THR 74 1.215 -0.354 -5.288 516 HG22 THR 74 HG22 THR 74 2.585 0.185 -4.319 517 HG23 THR 74 HG23 THR 74 2.219 0.984 -5.845 518 H ARG 75 H ARG 75 -1.272 3.822 -3.813 519 HA ARG 75 HA ARG 75 -2.928 2.462 -1.989 520 HB2 ARG 75 HB2 ARG 75 -2.062 4.788 -1.666 521 HB3 ARG 75 HB3 ARG 75 -3.205 5.337 -2.880 522 HG2 ARG 75 HG2 ARG 75 -5.057 4.602 -1.514 523 HG3 ARG 75 HG3 ARG 75 -3.946 3.980 -0.297 524 HD2 ARG 75 HD2 ARG 75 -3.094 6.252 0.058 525 HD3 ARG 75 HD3 ARG 75 -4.232 6.860 -1.145 526 HE ARG 75 HE ARG 75 -5.669 5.457 0.806 527 HH11 ARG 75 HH11 ARG 75 -6.812 6.572 2.436 528 HH12 ARG 75 HH12 ARG 75 -6.372 8.201 2.823 529 HH21 ARG 75 HH21 ARG 75 -3.791 8.362 0.463 530 HH22 ARG 75 HH22 ARG 75 -4.650 9.227 1.692 531 H GLU 76 H GLU 76 -3.748 4.169 -5.027 532 HA GLU 76 HA GLU 76 -6.532 3.777 -4.855 533 HB2 GLU 76 HB2 GLU 76 -5.550 5.405 -6.389 534 HB3 GLU 76 HB3 GLU 76 -4.787 4.118 -7.314 535 HG2 GLU 76 HG2 GLU 76 -7.083 3.259 -7.829 536 HG3 GLU 76 HG3 GLU 76 -7.726 4.695 -7.035 537 H LEU 77 H LEU 77 -3.979 1.811 -6.309 538 HA LEU 77 HA LEU 77 -5.621 -0.089 -7.562 539 HB2 LEU 77 HB2 LEU 77 -3.232 0.109 -8.022 540 HB3 LEU 77 HB3 LEU 77 -2.855 -0.397 -6.386 541 HG LEU 77 HG LEU 77 -3.857 -2.615 -6.873 542 HD11 LEU 77 HD11 LEU 77 -5.399 -2.348 -8.563 543 HD12 LEU 77 HD12 LEU 77 -4.039 -3.065 -9.428 544 HD13 LEU 77 HD13 LEU 77 -4.329 -1.328 -9.525 545 HD21 LEU 77 HD21 LEU 77 -1.867 -3.365 -7.566 546 HD22 LEU 77 HD22 LEU 77 -1.381 -1.672 -7.518 547 HD23 LEU 77 HD23 LEU 77 -1.906 -2.394 -9.037 548 H LEU 78 H LEU 78 -4.157 -0.080 -4.320 549 HA LEU 78 HA LEU 78 -5.284 -2.586 -3.557 550 HB2 LEU 78 HB2 LEU 78 -4.167 -0.347 -1.860 551 HB3 LEU 78 HB3 LEU 78 -4.519 -1.967 -1.284 552 HG LEU 78 HG LEU 78 -2.428 -1.214 -3.331 553 HD11 LEU 78 HD11 LEU 78 -0.857 -2.040 -1.619 554 HD12 LEU 78 HD12 LEU 78 -2.207 -2.186 -0.492 555 HD13 LEU 78 HD13 LEU 78 -1.747 -0.602 -1.117 556 HD21 LEU 78 HD21 LEU 78 -1.927 -3.797 -2.576 557 HD22 LEU 78 HD22 LEU 78 -2.721 -3.308 -4.073 558 HD23 LEU 78 HD23 LEU 78 -3.687 -3.771 -2.674 559 H TRP 79 H TRP 79 -6.240 0.774 -3.098 560 HA TRP 79 HA TRP 79 -8.436 0.201 -1.345 561 HB2 TRP 79 HB2 TRP 79 -7.029 2.372 -1.588 562 HB3 TRP 79 HB3 TRP 79 -8.135 2.752 -2.901 563 HD1 TRP 79 HD1 TRP 79 -10.430 3.767 -2.264 564 HE1 TRP 79 HE1 TRP 79 -11.593 4.346 -0.040 565 HE3 TRP 79 HE3 TRP 79 -7.202 1.466 0.966 566 HZ2 TRP 79 HZ2 TRP 79 -11.191 3.891 2.718 567 HZ3 TRP 79 HZ3 TRP 79 -7.661 1.588 3.381 568 HH2 TRP 79 HH2 TRP 79 -9.614 2.777 4.238 569 H SER 80 H SER 80 -8.120 -0.238 -4.655 570 HA SER 80 HA SER 80 -10.499 0.773 -5.702 571 HB2 SER 80 HB2 SER 80 -10.203 -0.844 -7.525 572 HB3 SER 80 HB3 SER 80 -8.678 -0.063 -7.107 573 HG SER 80 HG SER 80 -7.919 -1.908 -6.317 574 H TRP 81 H TRP 81 -9.940 -2.332 -4.060 575 HA TRP 81 HA TRP 81 -12.702 -3.111 -4.535 576 HB2 TRP 81 HB2 TRP 81 -10.323 -4.450 -3.285 577 HB3 TRP 81 HB3 TRP 81 -11.942 -5.076 -2.982 578 HD1 TRP 81 HD1 TRP 81 -9.201 -5.072 -5.540 579 HE1 TRP 81 HE1 TRP 81 -9.923 -6.454 -7.585 580 HE3 TRP 81 HE3 TRP 81 -14.157 -5.652 -4.422 581 HZ2 TRP 81 HZ2 TRP 81 -12.282 -7.636 -8.595 582 HZ3 TRP 81 HZ3 TRP 81 -15.577 -6.922 -5.980 583 HH2 TRP 81 HH2 TRP 81 -14.657 -7.893 -8.022 584 H ALA 82 H ALA 82 -11.127 -3.682 -1.457 585 HA ALA 82 HA ALA 82 -13.253 -2.129 -0.139 586 HB1 ALA 82 HB1 ALA 82 -13.604 -4.071 0.933 587 HB2 ALA 82 HB2 ALA 82 -12.134 -3.694 1.832 588 HB3 ALA 82 HB3 ALA 82 -12.058 -4.740 0.413 589 H GLN 83 H GLN 83 -10.283 -3.285 1.317 590 HA GLN 83 HA GLN 83 -9.420 -0.496 1.704 591 HB2 GLN 83 HB2 GLN 83 -8.703 -2.941 3.351 592 HB3 GLN 83 HB3 GLN 83 -8.161 -1.296 3.665 593 HG2 GLN 83 HG2 GLN 83 -9.876 -1.272 5.104 594 HG3 GLN 83 HG3 GLN 83 -10.836 -0.941 3.663 595 HE21 GLN 83 HE21 GLN 83 -11.761 -2.166 6.058 596 HE22 GLN 83 HE22 GLN 83 -12.280 -3.763 5.657 597 H LYS 84 H LYS 84 -8.103 -3.789 1.412 598 HA LYS 84 HA LYS 84 -6.164 -2.756 -0.529 599 HB2 LYS 84 HB2 LYS 84 -4.740 -2.996 1.312 600 HB3 LYS 84 HB3 LYS 84 -5.603 -4.401 1.922 601 HG2 LYS 84 HG2 LYS 84 -4.619 -5.819 0.311 602 HG3 LYS 84 HG3 LYS 84 -4.002 -4.459 -0.616 603 HD2 LYS 84 HD2 LYS 84 -2.201 -5.494 0.605 604 HD3 LYS 84 HD3 LYS 84 -2.515 -3.893 1.274 605 HE2 LYS 84 HE2 LYS 84 -2.140 -5.624 3.005 606 HE3 LYS 84 HE3 LYS 84 -3.723 -4.848 3.122 607 HZ1 LYS 84 HZ1 LYS 84 -3.362 -7.482 3.163 608 HZ2 LYS 84 HZ2 LYS 84 -3.614 -7.265 1.506 609 HZ3 LYS 84 HZ3 LYS 84 -4.789 -6.752 2.616 610 H ASN 85 H ASN 85 -7.787 -5.573 0.846 611 HA ASN 85 HA ASN 85 -8.446 -7.582 0.017 612 HB2 ASN 85 HB2 ASN 85 -9.886 -5.826 -1.220 613 HB3 ASN 85 HB3 ASN 85 -8.902 -6.230 -2.625 614 HD21 ASN 85 HD21 ASN 85 -10.331 -7.313 -3.858 615 HD22 ASN 85 HD22 ASN 85 -11.152 -8.752 -3.372 616 H LYS 86 H LYS 86 -5.669 -7.176 -0.151 617 HA LYS 86 HA LYS 86 -5.030 -8.973 -2.370 618 HB2 LYS 86 HB2 LYS 86 -4.184 -6.220 -2.148 619 HB3 LYS 86 HB3 LYS 86 -2.788 -7.281 -2.052 620 HG2 LYS 86 HG2 LYS 86 -2.982 -6.791 -4.314 621 HG3 LYS 86 HG3 LYS 86 -3.716 -8.389 -4.165 622 HD2 LYS 86 HD2 LYS 86 -5.902 -6.915 -3.803 623 HD3 LYS 86 HD3 LYS 86 -4.966 -5.762 -4.758 624 HE2 LYS 86 HE2 LYS 86 -5.702 -8.582 -5.530 625 HE3 LYS 86 HE3 LYS 86 -6.345 -7.095 -6.223 626 HZ1 LYS 86 HZ1 LYS 86 -4.690 -7.979 -7.681 627 HZ2 LYS 86 HZ2 LYS 86 -3.555 -8.095 -6.431 628 HZ3 LYS 86 HZ3 LYS 86 -4.063 -6.573 -6.976 629 H THR 87 H THR 87 -2.691 -9.834 -2.017 630 HA THR 87 HA THR 87 -2.264 -10.134 0.878 631 HB THR 87 HB THR 87 -1.492 -12.409 0.538 632 HG1 THR 87 HG1 THR 87 -1.848 -13.339 -1.622 633 HG21 THR 87 HG21 THR 87 -3.998 -11.779 0.741 634 HG22 THR 87 HG22 THR 87 -3.567 -13.429 0.284 635 HG23 THR 87 HG23 THR 87 -4.091 -12.279 -0.947 636 H ILE 88 H ILE 88 -0.066 -10.575 1.518 637 HA ILE 88 HA ILE 88 1.753 -8.784 0.386 638 HB ILE 88 HB ILE 88 1.786 -10.753 2.572 639 HG12 ILE 88 HG12 ILE 88 3.037 -8.747 3.616 640 HG13 ILE 88 HG13 ILE 88 2.633 -7.900 2.130 641 HG21 ILE 88 HG21 ILE 88 4.309 -10.392 2.849 642 HG22 ILE 88 HG22 ILE 88 4.308 -10.043 1.122 643 HG23 ILE 88 HG23 ILE 88 3.766 -11.616 1.704 644 HD11 ILE 88 HD11 ILE 88 1.062 -7.441 3.947 645 HD12 ILE 88 HD12 ILE 88 0.649 -9.154 4.009 646 HD13 ILE 88 HD13 ILE 88 0.280 -8.208 2.566 647 H GLY 89 H GLY 89 1.430 -12.287 -0.017 648 HA2 GLY 89 HA2 GLY 89 3.802 -12.716 -1.476 649 HA3 GLY 89 HA3 GLY 89 2.371 -13.736 -1.535 650 H ASP 90 H ASP 90 0.562 -11.790 -2.532 651 HA ASP 90 HA ASP 90 0.966 -12.076 -5.306 652 HB2 ASP 90 HB2 ASP 90 -1.259 -11.871 -4.250 653 HB3 ASP 90 HB3 ASP 90 -0.912 -10.189 -3.870 654 H LEU 91 H LEU 91 1.325 -9.238 -3.192 655 HA LEU 91 HA LEU 91 2.122 -7.534 -5.370 656 HB2 LEU 91 HB2 LEU 91 1.431 -7.197 -2.604 657 HB3 LEU 91 HB3 LEU 91 2.943 -6.377 -2.933 658 HG LEU 91 HG LEU 91 1.316 -4.724 -3.253 659 HD11 LEU 91 HD11 LEU 91 1.843 -4.009 -5.319 660 HD12 LEU 91 HD12 LEU 91 1.303 -5.497 -6.095 661 HD13 LEU 91 HD13 LEU 91 2.892 -5.427 -5.333 662 HD21 LEU 91 HD21 LEU 91 -0.667 -6.071 -3.180 663 HD22 LEU 91 HD22 LEU 91 -0.287 -6.808 -4.736 664 HD23 LEU 91 HD23 LEU 91 -0.713 -5.098 -4.650 665 H LEU 92 H LEU 92 3.749 -9.639 -3.154 666 HA LEU 92 HA LEU 92 6.297 -8.496 -3.099 667 HB2 LEU 92 HB2 LEU 92 5.626 -10.337 -1.642 668 HB3 LEU 92 HB3 LEU 92 5.517 -11.410 -3.023 669 HG LEU 92 HG LEU 92 7.950 -11.191 -3.377 670 HD11 LEU 92 HD11 LEU 92 8.705 -9.202 -2.550 671 HD12 LEU 92 HD12 LEU 92 9.125 -10.258 -1.201 672 HD13 LEU 92 HD13 LEU 92 7.666 -9.269 -1.128 673 HD21 LEU 92 HD21 LEU 92 7.077 -13.040 -2.058 674 HD22 LEU 92 HD22 LEU 92 7.150 -12.050 -0.599 675 HD23 LEU 92 HD23 LEU 92 8.638 -12.506 -1.430 676 H GLN 93 H GLN 93 4.849 -10.716 -5.438 677 HA GLN 93 HA GLN 93 7.144 -11.195 -6.992 678 HB2 GLN 93 HB2 GLN 93 4.203 -11.194 -7.692 679 HB3 GLN 93 HB3 GLN 93 5.460 -11.740 -8.796 680 HG2 GLN 93 HG2 GLN 93 6.059 -13.532 -7.349 681 HG3 GLN 93 HG3 GLN 93 5.033 -12.909 -6.059 682 HE21 GLN 93 HE21 GLN 93 2.894 -13.367 -6.054 683 HE22 GLN 93 HE22 GLN 93 2.130 -14.409 -7.205 684 H VAL 94 H VAL 94 4.647 -8.704 -7.181 685 HA VAL 94 HA VAL 94 5.610 -7.432 -9.528 686 HB VAL 94 HB VAL 94 3.859 -6.399 -7.288 687 HG11 VAL 94 HG11 VAL 94 5.150 -4.932 -9.354 688 HG12 VAL 94 HG12 VAL 94 3.994 -4.359 -8.149 689 HG13 VAL 94 HG13 VAL 94 3.421 -4.974 -9.700 690 HG21 VAL 94 HG21 VAL 94 2.518 -7.945 -8.277 691 HG22 VAL 94 HG22 VAL 94 3.373 -7.866 -9.819 692 HG23 VAL 94 HG23 VAL 94 2.220 -6.604 -9.383 693 H LEU 95 H LEU 95 6.102 -6.889 -6.075 694 HA LEU 95 HA LEU 95 7.594 -4.519 -6.191 695 HB2 LEU 95 HB2 LEU 95 7.253 -6.730 -4.232 696 HB3 LEU 95 HB3 LEU 95 8.630 -5.675 -4.005 697 HG LEU 95 HG LEU 95 7.277 -3.799 -3.566 698 HD11 LEU 95 HD11 LEU 95 5.700 -3.941 -5.373 699 HD12 LEU 95 HD12 LEU 95 4.813 -3.825 -3.852 700 HD13 LEU 95 HD13 LEU 95 4.963 -5.382 -4.669 701 HD21 LEU 95 HD21 LEU 95 5.894 -4.488 -1.732 702 HD22 LEU 95 HD22 LEU 95 7.321 -5.525 -1.780 703 HD23 LEU 95 HD23 LEU 95 5.774 -6.125 -2.380 704 H GLN 96 H GLN 96 8.599 -7.896 -6.378 705 HA GLN 96 HA GLN 96 11.381 -7.462 -6.339 706 HB2 GLN 96 HB2 GLN 96 9.712 -9.706 -7.473 707 HB3 GLN 96 HB3 GLN 96 11.470 -9.732 -7.470 708 HG2 GLN 96 HG2 GLN 96 11.535 -9.708 -5.083 709 HG3 GLN 96 HG3 GLN 96 9.795 -9.434 -4.989 710 HE21 GLN 96 HE21 GLN 96 11.424 -11.584 -3.861 711 HE22 GLN 96 HE22 GLN 96 10.764 -13.053 -4.482 712 H GLU 97 H GLU 97 9.049 -7.541 -9.002 713 HA GLU 97 HA GLU 97 10.899 -7.535 -11.125 714 HB2 GLU 97 HB2 GLU 97 8.072 -6.483 -10.942 715 HB3 GLU 97 HB3 GLU 97 8.985 -6.531 -12.444 716 HG2 GLU 97 HG2 GLU 97 9.176 -8.966 -12.238 717 HG3 GLU 97 HG3 GLU 97 8.244 -8.898 -10.742 718 H MET 98 H MET 98 9.294 -4.850 -9.436 719 HA MET 98 HA MET 98 10.568 -2.836 -11.008 720 HB2 MET 98 HB2 MET 98 8.394 -2.559 -9.764 721 HB3 MET 98 HB3 MET 98 9.335 -2.475 -8.277 722 HG2 MET 98 HG2 MET 98 8.807 -0.252 -9.002 723 HG3 MET 98 HG3 MET 98 10.538 -0.523 -9.192 724 HE1 MET 98 HE1 MET 98 11.213 1.251 -11.139 725 HE2 MET 98 HE2 MET 98 9.717 1.872 -10.436 726 HE3 MET 98 HE3 MET 98 9.917 1.825 -12.188 727 H GLY 99 H GLY 99 11.244 -4.323 -7.878 728 HA2 GLY 99 HA2 GLY 99 13.472 -4.568 -7.064 729 HA3 GLY 99 HA3 GLY 99 13.940 -3.164 -8.011 730 H HIS 100 H HIS 100 11.177 -3.460 -5.814 731 HA HIS 100 HA HIS 100 11.974 -1.030 -4.473 732 HB2 HIS 100 HB2 HIS 100 9.578 -1.698 -5.035 733 HB3 HIS 100 HB3 HIS 100 9.687 -2.848 -3.708 734 HD2 HIS 100 HD2 HIS 100 11.491 0.068 -2.392 735 HE1 HIS 100 HE1 HIS 100 7.467 0.880 -1.463 736 H ARG 101 H ARG 101 13.797 -1.400 -3.338 737 HA ARG 101 HA ARG 101 14.384 -3.648 -1.758 738 HB2 ARG 101 HB2 ARG 101 15.445 -0.835 -1.793 739 HB3 ARG 101 HB3 ARG 101 16.118 -2.090 -0.756 740 HG2 ARG 101 HG2 ARG 101 16.750 -3.407 -2.665 741 HG3 ARG 101 HG3 ARG 101 15.935 -2.287 -3.756 742 HD2 ARG 101 HD2 ARG 101 17.492 -0.524 -3.146 743 HD3 ARG 101 HD3 ARG 101 18.277 -1.594 -1.985 744 HE ARG 101 HE ARG 101 19.391 -2.618 -3.714 745 HH11 ARG 101 HH11 ARG 101 20.114 -2.817 -5.864 746 HH12 ARG 101 HH12 ARG 101 19.258 -2.007 -7.134 747 HH21 ARG 101 HH21 ARG 101 16.864 -0.594 -5.008 748 HH22 ARG 101 HH22 ARG 101 17.405 -0.739 -6.647 749 H ARG 102 H ARG 102 13.009 -0.495 -0.855 750 HA ARG 102 HA ARG 102 13.109 -0.869 1.931 751 HB2 ARG 102 HB2 ARG 102 12.724 1.319 0.788 752 HB3 ARG 102 HB3 ARG 102 11.088 0.788 0.419 753 HG2 ARG 102 HG2 ARG 102 10.736 2.019 2.320 754 HG3 ARG 102 HG3 ARG 102 10.940 0.398 2.998 755 HD2 ARG 102 HD2 ARG 102 13.296 2.225 2.681 756 HD3 ARG 102 HD3 ARG 102 12.211 2.400 4.058 757 HE ARG 102 HE ARG 102 12.901 -0.275 3.942 758 HH11 ARG 102 HH11 ARG 102 14.579 -1.164 5.209 759 HH12 ARG 102 HH12 ARG 102 15.831 -0.131 5.811 760 HH21 ARG 102 HH21 ARG 102 14.525 2.777 4.367 761 HH22 ARG 102 HH22 ARG 102 15.801 2.115 5.332 762 H ALA 103 H ALA 103 10.659 -1.688 -0.448 763 HA ALA 103 HA ALA 103 8.578 -2.382 1.306 764 HB1 ALA 103 HB1 ALA 103 7.535 -3.414 -0.529 765 HB2 ALA 103 HB2 ALA 103 9.072 -3.746 -1.326 766 HB3 ALA 103 HB3 ALA 103 8.475 -2.090 -1.218 767 H ILE 104 H ILE 104 11.302 -4.250 0.058 768 HA ILE 104 HA ILE 104 10.506 -6.788 0.945 769 HB ILE 104 HB ILE 104 13.259 -5.626 0.486 770 HG12 ILE 104 HG12 ILE 104 11.693 -7.636 -1.146 771 HG13 ILE 104 HG13 ILE 104 11.653 -5.901 -1.450 772 HG21 ILE 104 HG21 ILE 104 13.320 -8.450 0.299 773 HG22 ILE 104 HG22 ILE 104 12.586 -8.040 1.849 774 HG23 ILE 104 HG23 ILE 104 14.180 -7.412 1.436 775 HD11 ILE 104 HD11 ILE 104 14.365 -6.863 -1.305 776 HD12 ILE 104 HD12 ILE 104 13.541 -5.995 -2.599 777 HD13 ILE 104 HD13 ILE 104 13.428 -7.752 -2.508 778 H HIS 105 H HIS 105 12.395 -4.252 2.561 779 HA HIS 105 HA HIS 105 13.040 -5.717 4.875 780 HB2 HIS 105 HB2 HIS 105 12.803 -2.763 4.343 781 HB3 HIS 105 HB3 HIS 105 13.269 -3.391 5.919 782 HD2 HIS 105 HD2 HIS 105 14.783 -2.671 2.477 783 HE1 HIS 105 HE1 HIS 105 17.775 -4.594 4.735 784 H LEU 106 H LEU 106 10.242 -3.617 4.169 785 HA LEU 106 HA LEU 106 9.184 -4.058 6.823 786 HB2 LEU 106 HB2 LEU 106 8.908 -2.023 5.043 787 HB3 LEU 106 HB3 LEU 106 7.383 -2.863 4.834 788 HG LEU 106 HG LEU 106 7.440 -0.962 6.530 789 HD11 LEU 106 HD11 LEU 106 5.537 -2.297 6.569 790 HD12 LEU 106 HD12 LEU 106 6.127 -2.347 8.232 791 HD13 LEU 106 HD13 LEU 106 6.424 -3.708 7.148 792 HD21 LEU 106 HD21 LEU 106 8.507 -2.905 8.502 793 HD22 LEU 106 HD22 LEU 106 8.543 -1.142 8.515 794 HD23 LEU 106 HD23 LEU 106 9.662 -2.038 7.488 795 H ILE 107 H ILE 107 8.615 -5.376 3.614 796 HA ILE 107 HA ILE 107 6.114 -6.563 4.125 797 HB ILE 107 HB ILE 107 7.392 -6.302 1.877 798 HG12 ILE 107 HG12 ILE 107 5.955 -8.919 2.287 799 HG13 ILE 107 HG13 ILE 107 5.119 -7.370 2.329 800 HG21 ILE 107 HG21 ILE 107 9.334 -7.694 2.623 801 HG22 ILE 107 HG22 ILE 107 8.619 -8.189 1.087 802 HG23 ILE 107 HG23 ILE 107 8.272 -9.102 2.556 803 HD11 ILE 107 HD11 ILE 107 4.908 -7.476 0.134 804 HD12 ILE 107 HD12 ILE 107 5.873 -8.950 0.081 805 HD13 ILE 107 HD13 ILE 107 6.663 -7.377 -0.017 806 H THR 108 H THR 108 9.291 -7.399 5.093 807 HA THR 108 HA THR 108 8.974 -10.133 5.683 808 HB THR 108 HB THR 108 10.828 -8.104 6.960 809 HG1 THR 108 HG1 THR 108 11.223 -8.261 4.744 810 HG21 THR 108 HG21 THR 108 11.880 -9.767 8.073 811 HG22 THR 108 HG22 THR 108 11.643 -10.927 6.767 812 HG23 THR 108 HG23 THR 108 10.337 -10.607 7.907 813 H ASN 109 H ASN 109 7.942 -7.247 7.328 814 HA ASN 109 HA ASN 109 7.718 -8.313 9.951 815 HB2 ASN 109 HB2 ASN 109 7.726 -5.849 9.198 816 HB3 ASN 109 HB3 ASN 109 6.009 -6.079 8.887 817 HD21 ASN 109 HD21 ASN 109 5.231 -4.764 10.457 818 HD22 ASN 109 HD22 ASN 109 5.443 -5.052 12.146 819 H TYR 110 H TYR 110 5.734 -8.688 7.137 820 HA TYR 110 HA TYR 110 3.232 -9.152 8.337 821 HB2 TYR 110 HB2 TYR 110 3.356 -8.895 5.945 822 HB3 TYR 110 HB3 TYR 110 4.450 -10.265 5.799 823 HD1 TYR 110 HD1 TYR 110 0.934 -9.362 6.701 824 HD2 TYR 110 HD2 TYR 110 3.618 -12.423 5.444 825 HE1 TYR 110 HE1 TYR 110 -0.962 -10.867 6.317 826 HE2 TYR 110 HE2 TYR 110 1.718 -13.928 5.050 827 HH TYR 110 HH TYR 110 -0.846 -13.982 6.149 828 H GLY 111 H GLY 111 5.855 -11.413 7.524 829 HA2 GLY 111 HA2 GLY 111 6.390 -13.493 8.325 830 HA3 GLY 111 HA3 GLY 111 5.599 -12.994 9.808 831 H ALA 112 H ALA 112 4.355 -14.607 10.416 832 HA ALA 112 HA ALA 112 2.670 -16.111 10.509 833 HB1 ALA 112 HB1 ALA 112 1.803 -14.498 8.151 834 HB2 ALA 112 HB2 ALA 112 1.076 -14.628 9.753 835 HB3 ALA 112 HB3 ALA 112 0.918 -15.955 8.602 836 H VAL 113 H VAL 113 1.738 -18.054 9.468 837 HA VAL 113 HA VAL 113 3.612 -19.180 7.492 838 HB VAL 113 HB VAL 113 3.040 -21.419 8.456 839 HG11 VAL 113 HG11 VAL 113 4.216 -20.706 10.790 840 HG12 VAL 113 HG12 VAL 113 4.579 -19.298 9.791 841 HG13 VAL 113 HG13 VAL 113 5.079 -20.906 9.265 842 HG21 VAL 113 HG21 VAL 113 1.952 -19.941 10.837 843 HG22 VAL 113 HG22 VAL 113 1.868 -21.665 10.473 844 HG23 VAL 113 HG23 VAL 113 0.900 -20.519 9.544 845 H LEU 114 H LEU 114 0.458 -18.221 8.020 846 HA LEU 114 HA LEU 114 -0.472 -19.766 5.704 847 HB2 LEU 114 HB2 LEU 114 -1.433 -20.768 7.724 848 HB3 LEU 114 HB3 LEU 114 -2.043 -19.203 8.224 849 HG LEU 114 HG LEU 114 -3.532 -19.171 6.247 850 HD11 LEU 114 HD11 LEU 114 -3.687 -21.799 5.451 851 HD12 LEU 114 HD12 LEU 114 -1.950 -21.512 5.552 852 HD13 LEU 114 HD13 LEU 114 -2.957 -20.479 4.535 853 HD21 LEU 114 HD21 LEU 114 -3.782 -21.581 8.041 854 HD22 LEU 114 HD22 LEU 114 -5.077 -20.915 7.046 855 HD23 LEU 114 HD23 LEU 114 -4.396 -19.959 8.361 856 H SER 115 H SER 115 -1.388 -18.535 4.152 857 HA SER 115 HA SER 115 -2.266 -15.825 4.880 858 HB2 SER 115 HB2 SER 115 -1.299 -15.008 2.742 859 HB3 SER 115 HB3 SER 115 -0.068 -15.647 3.829 860 HG SER 115 HG SER 115 -1.267 -17.253 1.837 861 HA PRO 116 HA PRO 116 -5.945 -16.809 2.628 862 HB2 PRO 116 HB2 PRO 116 -6.742 -14.346 1.820 863 HB3 PRO 116 HB3 PRO 116 -6.847 -14.881 3.502 864 HG2 PRO 116 HG2 PRO 116 -4.762 -13.180 2.184 865 HG3 PRO 116 HG3 PRO 116 -5.560 -12.952 3.752 866 HD2 PRO 116 HD2 PRO 116 -3.084 -14.012 3.534 867 HD3 PRO 116 HD3 PRO 116 -4.221 -14.512 4.803 868 H SER 117 H SER 117 -6.883 -16.877 0.506 869 HA SER 117 HA SER 117 -4.896 -16.431 -1.619 870 HB2 SER 117 HB2 SER 117 -7.192 -18.404 -1.502 871 HB3 SER 117 HB3 SER 117 -6.099 -18.201 -2.872 872 HG SER 117 HG SER 117 -4.867 -18.604 -0.431 873 H GLU 118 H GLU 118 -5.520 -15.497 -3.564 874 HA GLU 118 HA GLU 118 -8.183 -14.248 -3.605 875 HB2 GLU 118 HB2 GLU 118 -5.579 -12.966 -4.461 876 HB3 GLU 118 HB3 GLU 118 -7.173 -12.252 -4.655 877 HG2 GLU 118 HG2 GLU 118 -5.959 -12.976 -2.000 878 HG3 GLU 118 HG3 GLU 118 -5.882 -11.371 -2.726 879 H LYS 119 H LYS 119 -8.880 -13.592 -5.793 880 HA LYS 119 HA LYS 119 -8.589 -15.741 -7.623 881 HB2 LYS 119 HB2 LYS 119 -9.884 -13.027 -7.921 882 HB3 LYS 119 HB3 LYS 119 -9.984 -14.299 -9.127 883 HG2 LYS 119 HG2 LYS 119 -11.110 -15.749 -7.516 884 HG3 LYS 119 HG3 LYS 119 -11.007 -14.476 -6.300 885 HD2 LYS 119 HD2 LYS 119 -12.374 -13.017 -7.716 886 HD3 LYS 119 HD3 LYS 119 -12.474 -14.293 -8.931 887 HE2 LYS 119 HE2 LYS 119 -13.610 -15.739 -7.320 888 HE3 LYS 119 HE3 LYS 119 -13.502 -14.471 -6.101 889 HZ1 LYS 119 HZ1 LYS 119 -15.633 -14.261 -6.960 890 HZ2 LYS 119 HZ2 LYS 119 -15.141 -14.530 -8.556 891 HZ3 LYS 119 HZ3 LYS 119 -14.772 -13.066 -7.793 892 H SER 120 H SER 120 -7.699 -15.752 -9.707 893 HA SER 120 HA SER 120 -5.218 -14.383 -9.947 894 HB2 SER 120 HB2 SER 120 -4.960 -15.602 -12.030 895 HB3 SER 120 HB3 SER 120 -5.632 -16.684 -10.810 896 HG SER 120 HG SER 120 -7.518 -15.325 -12.284 897 H TYR 121 H TYR 121 -4.565 -13.109 -11.841 898 HA TYR 121 HA TYR 121 -6.683 -11.639 -13.184 899 HB2 TYR 121 HB2 TYR 121 -5.817 -9.453 -12.527 900 HB3 TYR 121 HB3 TYR 121 -6.266 -10.372 -11.098 901 HD1 TYR 121 HD1 TYR 121 -3.516 -8.859 -12.964 902 HD2 TYR 121 HD2 TYR 121 -4.533 -11.237 -9.583 903 HE1 TYR 121 HE1 TYR 121 -1.274 -8.485 -12.031 904 HE2 TYR 121 HE2 TYR 121 -2.290 -10.868 -8.643 905 HH TYR 121 HH TYR 121 0.135 -10.243 -9.864 906 H GLN 122 H GLN 122 -5.806 -10.226 -14.918 907 HA GLN 122 HA GLN 122 -3.390 -11.447 -16.058 908 HB2 GLN 122 HB2 GLN 122 -5.461 -11.675 -17.386 909 HB3 GLN 122 HB3 GLN 122 -5.612 -9.924 -17.439 910 HG2 GLN 122 HG2 GLN 122 -3.558 -9.758 -18.713 911 HG3 GLN 122 HG3 GLN 122 -3.330 -11.502 -18.608 912 HE21 GLN 122 HE21 GLN 122 -3.289 -10.534 -21.049 913 HE22 GLN 122 HE22 GLN 122 -4.754 -10.860 -21.902 914 H GLU 123 H GLU 123 -1.596 -10.272 -16.259 915 HA GLU 123 HA GLU 123 -1.574 -7.518 -15.422 916 HB2 GLU 123 HB2 GLU 123 0.597 -9.386 -16.381 917 HB3 GLU 123 HB3 GLU 123 0.900 -7.712 -15.936 918 HG2 GLU 123 HG2 GLU 123 0.230 -8.117 -13.681 919 HG3 GLU 123 HG3 GLU 123 -0.325 -9.740 -14.084 920 H GLY 124 H GLY 124 -0.950 -5.724 -16.669 921 HA2 GLY 124 HA2 GLY 124 -1.608 -6.009 -19.505 922 HA3 GLY 124 HA3 GLY 124 -1.526 -4.499 -18.607 Start of MODEL 5 1 H1 SER 1 HT1 SER 1 9.439 7.796 -22.529 2 H2 SER 1 HT2 SER 1 8.065 8.253 -21.649 3 H3 SER 1 HT3 SER 1 9.601 8.750 -21.140 4 HA SER 1 HA SER 1 9.870 10.072 -23.142 5 HB2 SER 1 HB2 SER 1 7.130 10.149 -23.985 6 HB3 SER 1 HB3 SER 1 8.557 9.706 -24.922 7 HG SER 1 HG SER 1 7.946 7.713 -23.255 8 H GLU 2 H GLU 2 8.221 9.779 -20.369 9 HA GLU 2 HA GLU 2 7.395 12.608 -20.375 10 HB2 GLU 2 HB2 GLU 2 6.112 10.257 -18.977 11 HB3 GLU 2 HB3 GLU 2 5.747 11.928 -18.575 12 HG2 GLU 2 HG2 GLU 2 4.854 12.328 -20.756 13 HG3 GLU 2 HG3 GLU 2 5.390 10.747 -21.317 14 H PHE 3 H PHE 3 8.005 13.855 -18.640 15 HA PHE 3 HA PHE 3 9.653 12.550 -16.581 16 HB2 PHE 3 HB2 PHE 3 10.263 15.163 -17.989 17 HB3 PHE 3 HB3 PHE 3 11.165 14.518 -16.623 18 HD1 PHE 3 HD1 PHE 3 10.666 14.415 -20.194 19 HD2 PHE 3 HD2 PHE 3 12.468 12.415 -16.898 20 HE1 PHE 3 HE1 PHE 3 12.117 13.174 -21.745 21 HE2 PHE 3 HE2 PHE 3 13.922 11.171 -18.442 22 HZ PHE 3 HZ PHE 3 13.748 11.549 -20.870 23 H GLY 4 H GLY 4 9.642 13.531 -14.521 24 HA2 GLY 4 HA2 GLY 4 8.096 15.899 -14.014 25 HA3 GLY 4 HA3 GLY 4 7.266 14.429 -13.524 26 H SER 5 H SER 5 7.751 16.168 -11.567 27 HA SER 5 HA SER 5 9.646 14.738 -9.912 28 HB2 SER 5 HB2 SER 5 10.912 16.721 -9.246 29 HB3 SER 5 HB3 SER 5 11.045 16.480 -10.987 30 HG SER 5 HG SER 5 8.916 18.035 -10.380 31 H MET 6 H MET 6 9.514 15.405 -7.633 32 HA MET 6 HA MET 6 8.350 15.800 -5.736 33 HB2 MET 6 HB2 MET 6 6.998 17.958 -7.370 34 HB3 MET 6 HB3 MET 6 6.931 17.812 -5.617 35 HG2 MET 6 HG2 MET 6 9.370 18.369 -7.290 36 HG3 MET 6 HG3 MET 6 8.527 19.501 -6.232 37 HE1 MET 6 HE1 MET 6 9.452 18.703 -2.773 38 HE2 MET 6 HE2 MET 6 8.226 17.553 -3.303 39 HE3 MET 6 HE3 MET 6 8.177 19.221 -3.873 40 H ALA 7 H ALA 7 5.430 16.995 -6.277 41 HA ALA 7 HA ALA 7 3.316 16.169 -6.185 42 HB1 ALA 7 HB1 ALA 7 2.752 15.394 -8.188 43 HB2 ALA 7 HB2 ALA 7 3.587 13.869 -7.886 44 HB3 ALA 7 HB3 ALA 7 4.469 15.239 -8.563 45 H GLY 8 H GLY 8 4.294 15.488 -3.944 46 HA2 GLY 8 HA2 GLY 8 3.166 12.940 -3.334 47 HA3 GLY 8 HA3 GLY 8 4.921 12.892 -3.271 48 H ASN 9 H ASN 9 4.118 12.273 -0.992 49 HA ASN 9 HA ASN 9 4.426 14.648 0.677 50 HB2 ASN 9 HB2 ASN 9 1.905 13.787 0.299 51 HB3 ASN 9 HB3 ASN 9 2.368 12.720 1.622 52 HD21 ASN 9 HD21 ASN 9 0.417 14.879 1.573 53 HD22 ASN 9 HD22 ASN 9 0.901 15.989 2.803 54 H CYS 10 H CYS 10 4.567 13.835 3.099 55 HA CYS 10 HA CYS 10 6.516 11.640 3.044 56 HB2 CYS 10 HB2 CYS 10 5.994 13.750 5.145 57 HB3 CYS 10 HB3 CYS 10 7.238 12.509 5.248 58 HG CYS 10 HG CYS 10 7.146 15.272 3.277 59 H GLY 11 H GLY 11 6.173 9.741 4.008 60 HA2 GLY 11 HA2 GLY 11 3.653 9.389 5.483 61 HA3 GLY 11 HA3 GLY 11 4.572 8.108 4.707 62 H ALA 12 H ALA 12 4.009 7.247 7.006 63 HA ALA 12 HA ALA 12 6.429 7.565 8.595 64 HB1 ALA 12 HB1 ALA 12 4.998 7.718 10.698 65 HB2 ALA 12 HB2 ALA 12 3.675 8.179 9.625 66 HB3 ALA 12 HB3 ALA 12 5.131 9.173 9.709 67 H ARG 13 H ARG 13 6.885 5.820 9.953 68 HA ARG 13 HA ARG 13 5.092 3.607 10.264 69 HB2 ARG 13 HB2 ARG 13 6.792 3.621 7.971 70 HB3 ARG 13 HB3 ARG 13 7.412 2.414 9.087 71 HG2 ARG 13 HG2 ARG 13 4.698 1.930 9.090 72 HG3 ARG 13 HG3 ARG 13 5.032 2.369 7.419 73 HD2 ARG 13 HD2 ARG 13 5.238 -0.041 7.782 74 HD3 ARG 13 HD3 ARG 13 6.773 0.681 7.302 75 HE ARG 13 HE ARG 13 7.654 0.047 9.314 76 HH11 ARG 13 HH11 ARG 13 7.664 -0.972 11.352 77 HH12 ARG 13 HH12 ARG 13 6.161 -1.341 12.134 78 HH21 ARG 13 HH21 ARG 13 4.175 -0.074 9.550 79 HH22 ARG 13 HH22 ARG 13 4.179 -0.838 11.105 80 H GLY 14 H GLY 14 7.076 1.636 10.790 81 HA2 GLY 14 HA2 GLY 14 8.895 1.162 12.213 82 HA3 GLY 14 HA3 GLY 14 8.920 2.847 12.706 83 H ALA 15 H ALA 15 5.788 1.660 12.803 84 HA ALA 15 HA ALA 15 6.039 1.053 15.678 85 HB1 ALA 15 HB1 ALA 15 3.438 2.061 14.739 86 HB2 ALA 15 HB2 ALA 15 4.766 3.220 14.667 87 HB3 ALA 15 HB3 ALA 15 4.350 2.451 16.199 88 H LEU 16 H LEU 16 3.438 0.236 16.148 89 HA LEU 16 HA LEU 16 3.495 -2.452 15.236 90 HB2 LEU 16 HB2 LEU 16 1.271 -0.917 16.593 91 HB3 LEU 16 HB3 LEU 16 1.310 -2.655 16.377 92 HG LEU 16 HG LEU 16 3.283 -1.069 18.023 93 HD11 LEU 16 HD11 LEU 16 1.055 -1.093 19.023 94 HD12 LEU 16 HD12 LEU 16 2.186 -2.081 19.950 95 HD13 LEU 16 HD13 LEU 16 1.009 -2.851 18.883 96 HD21 LEU 16 HD21 LEU 16 4.467 -2.947 17.367 97 HD22 LEU 16 HD22 LEU 16 3.030 -3.967 17.330 98 HD23 LEU 16 HD23 LEU 16 3.725 -3.482 18.874 99 H SER 17 H SER 17 1.914 -3.541 13.901 100 HA SER 17 HA SER 17 1.352 -2.121 11.518 101 HB2 SER 17 HB2 SER 17 -0.011 -4.282 11.038 102 HB3 SER 17 HB3 SER 17 1.741 -4.403 11.223 103 HG SER 17 HG SER 17 -0.213 -5.539 12.702 104 H ALA 18 H ALA 18 -0.091 -0.533 11.489 105 HA ALA 18 HA ALA 18 -2.597 -0.756 12.950 106 HB1 ALA 18 HB1 ALA 18 -2.913 1.567 12.498 107 HB2 ALA 18 HB2 ALA 18 -1.638 1.560 11.280 108 HB3 ALA 18 HB3 ALA 18 -1.232 1.344 12.983 109 H HIS 19 H HIS 19 -1.446 -1.564 9.960 110 HA HIS 19 HA HIS 19 -3.991 -1.095 8.588 111 HB2 HIS 19 HB2 HIS 19 -1.276 -1.876 7.509 112 HB3 HIS 19 HB3 HIS 19 -2.725 -1.697 6.524 113 HD2 HIS 19 HD2 HIS 19 -3.388 0.872 5.840 114 HE1 HIS 19 HE1 HIS 19 -0.229 2.796 7.861 115 H THR 20 H THR 20 -3.321 -3.286 10.602 116 HA THR 20 HA THR 20 -3.234 -5.729 9.127 117 HB THR 20 HB THR 20 -4.154 -5.351 11.983 118 HG1 THR 20 HG1 THR 20 -2.151 -4.665 12.230 119 HG21 THR 20 HG21 THR 20 -3.765 -7.615 12.300 120 HG22 THR 20 HG22 THR 20 -2.683 -7.732 10.913 121 HG23 THR 20 HG23 THR 20 -4.424 -7.593 10.665 122 H LEU 21 H LEU 21 -4.849 -6.455 7.905 123 HA LEU 21 HA LEU 21 -7.515 -6.707 9.020 124 HB2 LEU 21 HB2 LEU 21 -7.400 -4.476 7.819 125 HB3 LEU 21 HB3 LEU 21 -7.133 -5.378 6.341 126 HG LEU 21 HG LEU 21 -9.332 -6.482 6.642 127 HD11 LEU 21 HD11 LEU 21 -9.189 -5.069 9.195 128 HD12 LEU 21 HD12 LEU 21 -10.129 -6.486 8.733 129 HD13 LEU 21 HD13 LEU 21 -10.725 -4.872 8.352 130 HD21 LEU 21 HD21 LEU 21 -10.698 -4.427 6.191 131 HD22 LEU 21 HD22 LEU 21 -9.261 -4.607 5.184 132 HD23 LEU 21 HD23 LEU 21 -9.254 -3.475 6.538 133 H LEU 22 H LEU 22 -8.889 -8.113 7.578 134 HA LEU 22 HA LEU 22 -7.504 -10.444 6.858 135 HB2 LEU 22 HB2 LEU 22 -9.851 -10.434 7.538 136 HB3 LEU 22 HB3 LEU 22 -10.284 -9.552 6.085 137 HG LEU 22 HG LEU 22 -9.555 -11.502 4.727 138 HD11 LEU 22 HD11 LEU 22 -9.021 -12.644 7.442 139 HD12 LEU 22 HD12 LEU 22 -7.982 -12.627 6.018 140 HD13 LEU 22 HD13 LEU 22 -9.396 -13.680 6.066 141 HD21 LEU 22 HD21 LEU 22 -11.438 -13.021 5.520 142 HD22 LEU 22 HD22 LEU 22 -11.866 -11.363 5.101 143 HD23 LEU 22 HD23 LEU 22 -11.708 -11.833 6.794 144 H PHE 23 H PHE 23 -8.943 -7.924 4.768 145 HA PHE 23 HA PHE 23 -7.756 -9.176 2.416 146 HB2 PHE 23 HB2 PHE 23 -9.509 -6.721 2.700 147 HB3 PHE 23 HB3 PHE 23 -8.930 -7.364 1.165 148 HD1 PHE 23 HD1 PHE 23 -11.328 -7.732 3.861 149 HD2 PHE 23 HD2 PHE 23 -9.752 -9.526 0.337 150 HE1 PHE 23 HE1 PHE 23 -13.283 -9.221 3.748 151 HE2 PHE 23 HE2 PHE 23 -11.705 -11.018 0.220 152 HZ PHE 23 HZ PHE 23 -13.473 -10.867 1.927 153 H ASP 24 H ASP 24 -7.426 -6.334 4.407 154 HA ASP 24 HA ASP 24 -5.220 -5.346 2.791 155 HB2 ASP 24 HB2 ASP 24 -6.882 -3.691 3.553 156 HB3 ASP 24 HB3 ASP 24 -6.444 -4.032 5.203 157 H LEU 25 H LEU 25 -3.951 -7.221 3.338 158 HA LEU 25 HA LEU 25 -3.063 -8.031 5.794 159 HB2 LEU 25 HB2 LEU 25 -1.419 -7.694 3.282 160 HB3 LEU 25 HB3 LEU 25 -0.977 -8.700 4.651 161 HG LEU 25 HG LEU 25 -3.434 -9.124 2.944 162 HD11 LEU 25 HD11 LEU 25 -2.209 -11.066 2.047 163 HD12 LEU 25 HD12 LEU 25 -0.765 -10.520 2.899 164 HD13 LEU 25 HD13 LEU 25 -1.461 -9.525 1.622 165 HD21 LEU 25 HD21 LEU 25 -3.060 -11.467 4.119 166 HD22 LEU 25 HD22 LEU 25 -3.995 -10.181 4.884 167 HD23 LEU 25 HD23 LEU 25 -2.319 -10.451 5.357 168 HA PRO 26 HA PRO 26 -0.811 -5.012 8.137 169 HB2 PRO 26 HB2 PRO 26 1.750 -6.319 7.925 170 HB3 PRO 26 HB3 PRO 26 0.640 -6.288 9.294 171 HG2 PRO 26 HG2 PRO 26 1.005 -8.348 7.213 172 HG3 PRO 26 HG3 PRO 26 0.359 -8.508 8.855 173 HD2 PRO 26 HD2 PRO 26 -1.226 -8.680 6.701 174 HD3 PRO 26 HD3 PRO 26 -1.786 -7.905 8.200 175 HA PRO 27 HA PRO 27 1.262 -1.863 5.887 176 HB2 PRO 27 HB2 PRO 27 3.592 -2.200 7.718 177 HB3 PRO 27 HB3 PRO 27 2.740 -0.729 7.223 178 HG2 PRO 27 HG2 PRO 27 2.294 -1.825 9.596 179 HG3 PRO 27 HG3 PRO 27 0.977 -1.102 8.657 180 HD2 PRO 27 HD2 PRO 27 1.589 -3.969 9.163 181 HD3 PRO 27 HD3 PRO 27 0.024 -3.175 8.890 182 H ALA 28 H ALA 28 2.759 -4.940 6.073 183 HA ALA 28 HA ALA 28 5.167 -4.519 4.748 184 HB1 ALA 28 HB1 ALA 28 3.331 -6.797 5.120 185 HB2 ALA 28 HB2 ALA 28 5.076 -6.695 5.355 186 HB3 ALA 28 HB3 ALA 28 4.415 -6.909 3.733 187 H LEU 29 H LEU 29 1.856 -4.700 3.492 188 HA LEU 29 HA LEU 29 2.951 -4.162 0.820 189 HB2 LEU 29 HB2 LEU 29 1.170 -6.067 1.505 190 HB3 LEU 29 HB3 LEU 29 0.083 -4.768 1.040 191 HG LEU 29 HG LEU 29 1.105 -4.636 -1.155 192 HD11 LEU 29 HD11 LEU 29 3.187 -6.173 0.154 193 HD12 LEU 29 HD12 LEU 29 3.250 -5.209 -1.320 194 HD13 LEU 29 HD13 LEU 29 2.700 -6.883 -1.383 195 HD21 LEU 29 HD21 LEU 29 -0.381 -6.178 -1.727 196 HD22 LEU 29 HD22 LEU 29 -0.277 -6.924 -0.133 197 HD23 LEU 29 HD23 LEU 29 0.826 -7.422 -1.415 198 H LEU 30 H LEU 30 -0.275 -3.304 2.177 199 HA LEU 30 HA LEU 30 -0.409 -0.922 0.698 200 HB2 LEU 30 HB2 LEU 30 -2.164 -2.304 2.476 201 HB3 LEU 30 HB3 LEU 30 -2.035 -0.643 3.032 202 HG LEU 30 HG LEU 30 -3.027 -1.624 0.367 203 HD11 LEU 30 HD11 LEU 30 -4.457 -1.326 2.515 204 HD12 LEU 30 HD12 LEU 30 -5.056 -0.720 0.971 205 HD13 LEU 30 HD13 LEU 30 -4.335 0.391 2.136 206 HD21 LEU 30 HD21 LEU 30 -1.926 0.152 -0.506 207 HD22 LEU 30 HD22 LEU 30 -1.786 0.969 1.052 208 HD23 LEU 30 HD23 LEU 30 -3.302 1.036 0.152 209 H GLY 31 H GLY 31 0.313 -1.274 4.195 210 HA2 GLY 31 HA2 GLY 31 0.497 1.470 4.727 211 HA3 GLY 31 HA3 GLY 31 1.273 0.210 5.666 212 H GLU 32 H GLU 32 3.182 -0.772 4.012 213 HA GLU 32 HA GLU 32 5.170 1.241 4.133 214 HB2 GLU 32 HB2 GLU 32 5.659 -1.095 4.521 215 HB3 GLU 32 HB3 GLU 32 5.210 -1.491 2.864 216 HG2 GLU 32 HG2 GLU 32 7.570 -1.468 2.948 217 HG3 GLU 32 HG3 GLU 32 7.081 -0.006 2.098 218 H LEU 33 H LEU 33 3.449 -0.229 1.372 219 HA LEU 33 HA LEU 33 4.981 1.174 -0.558 220 HB2 LEU 33 HB2 LEU 33 2.283 -0.165 -0.796 221 HB3 LEU 33 HB3 LEU 33 3.143 0.562 -2.148 222 HG LEU 33 HG LEU 33 4.216 -1.705 -0.465 223 HD11 LEU 33 HD11 LEU 33 3.737 -3.120 -2.396 224 HD12 LEU 33 HD12 LEU 33 2.973 -1.755 -3.213 225 HD13 LEU 33 HD13 LEU 33 2.264 -2.410 -1.738 226 HD21 LEU 33 HD21 LEU 33 6.150 -1.442 -1.524 227 HD22 LEU 33 HD22 LEU 33 5.539 0.092 -2.143 228 HD23 LEU 33 HD23 LEU 33 5.348 -1.381 -3.093 229 H CYS 34 H CYS 34 1.900 1.940 1.049 230 HA CYS 34 HA CYS 34 1.404 4.209 -0.608 231 HB2 CYS 34 HB2 CYS 34 -0.399 4.744 0.843 232 HB3 CYS 34 HB3 CYS 34 -0.344 2.987 0.748 233 HG CYS 34 HG CYS 34 1.302 3.078 3.259 234 H ALA 35 H ALA 35 3.285 3.694 2.280 235 HA ALA 35 HA ALA 35 3.517 6.526 2.846 236 HB1 ALA 35 HB1 ALA 35 3.837 5.720 4.884 237 HB2 ALA 35 HB2 ALA 35 5.425 5.158 4.361 238 HB3 ALA 35 HB3 ALA 35 4.031 4.081 4.264 239 H VAL 36 H VAL 36 5.866 3.955 2.023 240 HA VAL 36 HA VAL 36 8.026 5.735 1.678 241 HB VAL 36 HB VAL 36 7.640 2.873 0.805 242 HG11 VAL 36 HG11 VAL 36 9.280 3.300 -0.706 243 HG12 VAL 36 HG12 VAL 36 10.321 3.222 0.718 244 HG13 VAL 36 HG13 VAL 36 9.783 4.785 0.102 245 HG21 VAL 36 HG21 VAL 36 8.944 2.338 2.669 246 HG22 VAL 36 HG22 VAL 36 7.868 3.611 3.244 247 HG23 VAL 36 HG23 VAL 36 9.541 3.990 2.840 248 H LEU 37 H LEU 37 5.849 4.277 -0.761 249 HA LEU 37 HA LEU 37 7.243 5.464 -2.948 250 HB2 LEU 37 HB2 LEU 37 4.444 4.367 -2.784 251 HB3 LEU 37 HB3 LEU 37 5.200 4.913 -4.266 252 HG LEU 37 HG LEU 37 6.229 2.638 -2.573 253 HD11 LEU 37 HD11 LEU 37 4.853 2.390 -5.218 254 HD12 LEU 37 HD12 LEU 37 3.950 2.367 -3.704 255 HD13 LEU 37 HD13 LEU 37 5.183 1.146 -4.014 256 HD21 LEU 37 HD21 LEU 37 7.042 2.556 -5.293 257 HD22 LEU 37 HD22 LEU 37 8.043 2.746 -3.854 258 HD23 LEU 37 HD23 LEU 37 7.393 4.168 -4.669 259 H ASP 38 H ASP 38 4.877 6.613 -0.729 260 HA ASP 38 HA ASP 38 3.678 8.637 -2.248 261 HB2 ASP 38 HB2 ASP 38 2.966 7.827 0.049 262 HB3 ASP 38 HB3 ASP 38 4.280 8.794 0.713 263 H SER 39 H SER 39 6.703 8.542 -0.468 264 HA SER 39 HA SER 39 7.256 11.351 -0.970 265 HB2 SER 39 HB2 SER 39 8.930 9.209 0.367 266 HB3 SER 39 HB3 SER 39 9.339 10.923 0.294 267 HG SER 39 HG SER 39 6.909 10.851 1.233 268 H CYS 40 H CYS 40 7.181 8.961 -2.991 269 HA CYS 40 HA CYS 40 9.745 8.667 -4.088 270 HB2 CYS 40 HB2 CYS 40 7.951 7.131 -4.628 271 HB3 CYS 40 HB3 CYS 40 7.043 8.420 -5.416 272 HG CYS 40 HG CYS 40 8.130 6.684 -7.338 273 H ASP 41 H ASP 41 10.781 9.604 -5.756 274 HA ASP 41 HA ASP 41 9.700 12.099 -6.858 275 HB2 ASP 41 HB2 ASP 41 11.404 12.403 -4.922 276 HB3 ASP 41 HB3 ASP 41 12.604 11.855 -6.088 277 H GLY 42 H GLY 42 9.723 9.519 -7.973 278 HA2 GLY 42 HA2 GLY 42 9.984 8.912 -10.239 279 HA3 GLY 42 HA3 GLY 42 11.337 10.026 -10.359 280 H ALA 43 H ALA 43 12.200 8.664 -7.660 281 HA ALA 43 HA ALA 43 14.148 6.970 -8.787 282 HB1 ALA 43 HB1 ALA 43 14.752 6.408 -6.512 283 HB2 ALA 43 HB2 ALA 43 13.227 7.066 -5.918 284 HB3 ALA 43 HB3 ALA 43 14.428 8.137 -6.640 285 H LEU 44 H LEU 44 11.096 6.232 -7.136 286 HA LEU 44 HA LEU 44 11.418 3.413 -7.936 287 HB2 LEU 44 HB2 LEU 44 9.691 4.623 -5.755 288 HB3 LEU 44 HB3 LEU 44 9.686 2.931 -6.208 289 HG LEU 44 HG LEU 44 12.152 4.346 -5.186 290 HD11 LEU 44 HD11 LEU 44 10.207 4.246 -3.557 291 HD12 LEU 44 HD12 LEU 44 11.721 3.509 -3.035 292 HD13 LEU 44 HD13 LEU 44 10.396 2.494 -3.604 293 HD21 LEU 44 HD21 LEU 44 12.794 1.939 -4.710 294 HD22 LEU 44 HD22 LEU 44 12.776 2.427 -6.405 295 HD23 LEU 44 HD23 LEU 44 11.444 1.478 -5.748 296 H GLY 45 H GLY 45 9.515 6.256 -8.252 297 HA2 GLY 45 HA2 GLY 45 7.878 6.777 -9.791 298 HA3 GLY 45 HA3 GLY 45 7.994 5.136 -10.410 299 H TRP 46 H TRP 46 6.094 7.308 -8.602 300 HA TRP 46 HA TRP 46 4.730 5.680 -6.822 301 HB2 TRP 46 HB2 TRP 46 2.671 7.171 -7.464 302 HB3 TRP 46 HB3 TRP 46 4.070 7.883 -6.655 303 HD1 TRP 46 HD1 TRP 46 2.282 7.823 -10.051 304 HE1 TRP 46 HE1 TRP 46 3.093 9.836 -11.436 305 HE3 TRP 46 HE3 TRP 46 6.018 9.474 -6.973 306 HZ2 TRP 46 HZ2 TRP 46 5.056 11.853 -11.248 307 HZ3 TRP 46 HZ3 TRP 46 7.310 11.455 -7.646 308 HH2 TRP 46 HH2 TRP 46 6.840 12.620 -9.740 309 H ARG 47 H ARG 47 3.945 6.199 -10.266 310 HA ARG 47 HA ARG 47 2.003 4.058 -10.239 311 HB2 ARG 47 HB2 ARG 47 1.683 4.523 -12.611 312 HB3 ARG 47 HB3 ARG 47 1.575 5.997 -11.672 313 HG2 ARG 47 HG2 ARG 47 3.884 6.552 -12.325 314 HG3 ARG 47 HG3 ARG 47 3.941 5.079 -13.293 315 HD2 ARG 47 HD2 ARG 47 2.086 5.909 -14.656 316 HD3 ARG 47 HD3 ARG 47 2.035 7.383 -13.688 317 HE ARG 47 HE ARG 47 4.626 7.074 -14.694 318 HH11 ARG 47 HH11 ARG 47 5.337 8.285 -16.488 319 HH12 ARG 47 HH12 ARG 47 4.172 8.966 -17.578 320 HH21 ARG 47 HH21 ARG 47 1.402 7.716 -15.841 321 HH22 ARG 47 HH22 ARG 47 1.932 8.641 -17.207 322 H GLY 48 H GLY 48 5.276 3.984 -10.233 323 HA2 GLY 48 HA2 GLY 48 5.991 2.407 -12.431 324 HA3 GLY 48 HA3 GLY 48 6.842 2.444 -10.899 325 H LEU 49 H LEU 49 4.965 1.342 -9.184 326 HA LEU 49 HA LEU 49 5.183 -1.426 -9.887 327 HB2 LEU 49 HB2 LEU 49 3.742 -0.105 -7.585 328 HB3 LEU 49 HB3 LEU 49 4.038 -1.825 -7.737 329 HG LEU 49 HG LEU 49 6.162 0.308 -7.428 330 HD11 LEU 49 HD11 LEU 49 5.431 -1.861 -5.489 331 HD12 LEU 49 HD12 LEU 49 4.678 -0.268 -5.447 332 HD13 LEU 49 HD13 LEU 49 6.420 -0.426 -5.220 333 HD21 LEU 49 HD21 LEU 49 6.363 -2.694 -7.655 334 HD22 LEU 49 HD22 LEU 49 7.674 -1.643 -7.117 335 HD23 LEU 49 HD23 LEU 49 7.038 -1.492 -8.755 336 H ALA 50 H ALA 50 2.511 0.865 -9.556 337 HA ALA 50 HA ALA 50 0.405 -0.938 -10.035 338 HB1 ALA 50 HB1 ALA 50 -0.940 1.072 -10.476 339 HB2 ALA 50 HB2 ALA 50 0.536 2.036 -10.455 340 HB3 ALA 50 HB3 ALA 50 0.013 1.191 -8.998 341 H GLU 51 H GLU 51 2.278 1.066 -12.253 342 HA GLU 51 HA GLU 51 0.674 0.840 -14.511 343 HB2 GLU 51 HB2 GLU 51 2.503 2.452 -14.328 344 HB3 GLU 51 HB3 GLU 51 3.681 1.147 -14.335 345 HG2 GLU 51 HG2 GLU 51 3.646 2.151 -16.500 346 HG3 GLU 51 HG3 GLU 51 2.923 0.549 -16.625 347 H ARG 52 H ARG 52 3.371 -1.211 -13.412 348 HA ARG 52 HA ARG 52 3.356 -2.946 -15.639 349 HB2 ARG 52 HB2 ARG 52 4.383 -3.264 -12.829 350 HB3 ARG 52 HB3 ARG 52 4.522 -4.548 -14.021 351 HG2 ARG 52 HG2 ARG 52 5.904 -3.203 -15.418 352 HG3 ARG 52 HG3 ARG 52 5.612 -1.775 -14.425 353 HD2 ARG 52 HD2 ARG 52 6.819 -2.719 -12.589 354 HD3 ARG 52 HD3 ARG 52 6.947 -4.275 -13.409 355 HE ARG 52 HE ARG 52 8.728 -3.470 -14.598 356 HH11 ARG 52 HH11 ARG 52 10.349 -1.961 -15.122 357 HH12 ARG 52 HH12 ARG 52 10.154 -0.302 -14.669 358 HH21 ARG 52 HH21 ARG 52 7.038 -0.788 -13.148 359 HH22 ARG 52 HH22 ARG 52 8.267 0.366 -13.547 360 H LEU 53 H LEU 53 1.669 -3.083 -12.520 361 HA LEU 53 HA LEU 53 0.597 -5.686 -12.977 362 HB2 LEU 53 HB2 LEU 53 0.856 -4.759 -10.721 363 HB3 LEU 53 HB3 LEU 53 -0.346 -3.530 -11.083 364 HG LEU 53 HG LEU 53 -2.066 -5.278 -11.322 365 HD11 LEU 53 HD11 LEU 53 0.263 -7.085 -10.764 366 HD12 LEU 53 HD12 LEU 53 -0.944 -7.191 -12.046 367 HD13 LEU 53 HD13 LEU 53 -1.389 -7.572 -10.381 368 HD21 LEU 53 HD21 LEU 53 -0.757 -4.471 -8.934 369 HD22 LEU 53 HD22 LEU 53 -1.251 -6.153 -8.748 370 HD23 LEU 53 HD23 LEU 53 -2.446 -4.923 -9.165 371 H SER 54 H SER 54 -0.729 -2.405 -13.398 372 HA SER 54 HA SER 54 -2.643 -3.515 -15.311 373 HB2 SER 54 HB2 SER 54 -3.456 -1.776 -12.968 374 HB3 SER 54 HB3 SER 54 -4.511 -2.213 -14.314 375 HG SER 54 HG SER 54 -3.379 -4.423 -13.297 376 H SER 55 H SER 55 -3.115 -2.146 -17.008 377 HA SER 55 HA SER 55 -1.951 0.559 -16.855 378 HB2 SER 55 HB2 SER 55 -1.964 -1.307 -19.244 379 HB3 SER 55 HB3 SER 55 -1.375 0.355 -19.255 380 HG SER 55 HG SER 55 -0.242 -1.066 -17.245 381 H SER 56 H SER 56 -3.337 2.168 -17.256 382 HA SER 56 HA SER 56 -5.451 1.919 -19.189 383 HB2 SER 56 HB2 SER 56 -6.547 0.866 -17.270 384 HB3 SER 56 HB3 SER 56 -6.157 2.258 -16.261 385 HG SER 56 HG SER 56 -8.302 1.920 -17.724 386 H TRP 57 H TRP 57 -6.069 3.896 -19.976 387 HA TRP 57 HA TRP 57 -4.438 6.136 -19.401 388 HB2 TRP 57 HB2 TRP 57 -6.904 5.754 -21.081 389 HB3 TRP 57 HB3 TRP 57 -6.184 7.346 -20.867 390 HD1 TRP 57 HD1 TRP 57 -5.887 4.253 -22.921 391 HE1 TRP 57 HE1 TRP 57 -3.837 4.415 -24.473 392 HE3 TRP 57 HE3 TRP 57 -3.617 8.340 -20.848 393 HZ2 TRP 57 HZ2 TRP 57 -1.562 6.057 -24.776 394 HZ3 TRP 57 HZ3 TRP 57 -1.508 9.142 -21.826 395 HH2 TRP 57 HH2 TRP 57 -0.502 8.023 -23.752 396 H LEU 58 H LEU 58 -7.739 5.283 -18.485 397 HA LEU 58 HA LEU 58 -8.375 7.761 -17.265 398 HB2 LEU 58 HB2 LEU 58 -9.490 4.984 -16.877 399 HB3 LEU 58 HB3 LEU 58 -10.145 6.402 -16.081 400 HG LEU 58 HG LEU 58 -9.981 6.085 -19.079 401 HD11 LEU 58 HD11 LEU 58 -12.401 5.671 -18.976 402 HD12 LEU 58 HD12 LEU 58 -12.305 5.624 -17.215 403 HD13 LEU 58 HD13 LEU 58 -11.471 4.403 -18.177 404 HD21 LEU 58 HD21 LEU 58 -11.891 7.888 -18.698 405 HD22 LEU 58 HD22 LEU 58 -10.190 8.338 -18.817 406 HD23 LEU 58 HD23 LEU 58 -10.956 8.197 -17.235 407 H ASP 59 H ASP 59 -6.931 4.785 -16.090 408 HA ASP 59 HA ASP 59 -6.994 5.348 -13.337 409 HB2 ASP 59 HB2 ASP 59 -6.592 3.100 -14.261 410 HB3 ASP 59 HB3 ASP 59 -5.019 3.631 -14.849 411 H VAL 60 H VAL 60 -4.441 6.008 -15.759 412 HA VAL 60 HA VAL 60 -2.555 6.924 -13.870 413 HB VAL 60 HB VAL 60 -1.391 8.017 -15.758 414 HG11 VAL 60 HG11 VAL 60 -2.277 5.189 -16.320 415 HG12 VAL 60 HG12 VAL 60 -1.011 5.657 -15.183 416 HG13 VAL 60 HG13 VAL 60 -0.803 5.961 -16.907 417 HG21 VAL 60 HG21 VAL 60 -2.564 7.061 -18.026 418 HG22 VAL 60 HG22 VAL 60 -2.686 8.721 -17.442 419 HG23 VAL 60 HG23 VAL 60 -3.963 7.561 -17.075 420 H ASP 61 H ASP 61 -5.204 8.555 -15.454 421 HA ASP 61 HA ASP 61 -4.404 11.210 -14.950 422 HB2 ASP 61 HB2 ASP 61 -7.104 9.935 -15.326 423 HB3 ASP 61 HB3 ASP 61 -6.924 11.665 -15.058 424 H HIS 62 H HIS 62 -6.251 8.891 -13.031 425 HA HIS 62 HA HIS 62 -6.704 10.702 -10.870 426 HB2 HIS 62 HB2 HIS 62 -8.061 8.576 -11.584 427 HB3 HIS 62 HB3 HIS 62 -6.905 7.730 -10.559 428 HD2 HIS 62 HD2 HIS 62 -7.337 7.936 -7.871 429 HE1 HIS 62 HE1 HIS 62 -10.602 10.593 -8.031 430 H ILE 63 H ILE 63 -4.147 8.569 -11.778 431 HA ILE 63 HA ILE 63 -3.030 8.017 -9.274 432 HB ILE 63 HB ILE 63 -1.733 8.250 -11.985 433 HG12 ILE 63 HG12 ILE 63 -2.224 5.843 -10.220 434 HG13 ILE 63 HG13 ILE 63 -3.317 6.363 -11.502 435 HG21 ILE 63 HG21 ILE 63 0.289 8.298 -11.075 436 HG22 ILE 63 HG22 ILE 63 -0.062 6.785 -10.237 437 HG23 ILE 63 HG23 ILE 63 -0.416 8.329 -9.458 438 HD11 ILE 63 HD11 ILE 63 -0.843 6.194 -12.739 439 HD12 ILE 63 HD12 ILE 63 -2.169 5.035 -12.852 440 HD13 ILE 63 HD13 ILE 63 -0.894 4.803 -11.656 441 H GLU 64 H GLU 64 -2.553 10.778 -11.438 442 HA GLU 64 HA GLU 64 -0.586 12.030 -9.797 443 HB2 GLU 64 HB2 GLU 64 -2.364 13.122 -11.985 444 HB3 GLU 64 HB3 GLU 64 -1.088 14.046 -11.207 445 HG2 GLU 64 HG2 GLU 64 -0.719 11.516 -12.799 446 HG3 GLU 64 HG3 GLU 64 -0.356 13.151 -13.345 447 H LYS 65 H LYS 65 -4.017 11.850 -9.639 448 HA LYS 65 HA LYS 65 -4.505 14.330 -8.333 449 HB2 LYS 65 HB2 LYS 65 -6.138 11.813 -8.577 450 HB3 LYS 65 HB3 LYS 65 -6.727 13.276 -7.801 451 HG2 LYS 65 HG2 LYS 65 -6.447 14.510 -9.886 452 HG3 LYS 65 HG3 LYS 65 -5.830 13.055 -10.669 453 HD2 LYS 65 HD2 LYS 65 -7.971 11.936 -10.271 454 HD3 LYS 65 HD3 LYS 65 -8.582 13.382 -9.483 455 HE2 LYS 65 HE2 LYS 65 -8.308 14.637 -11.563 456 HE3 LYS 65 HE3 LYS 65 -7.685 13.190 -12.354 457 HZ1 LYS 65 HZ1 LYS 65 -9.953 12.210 -11.528 458 HZ2 LYS 65 HZ2 LYS 65 -9.865 13.100 -12.965 459 HZ3 LYS 65 HZ3 LYS 65 -10.428 13.835 -11.550 460 H GLU 66 H GLU 66 -4.189 10.992 -6.983 461 HA GLU 66 HA GLU 66 -4.559 12.128 -4.327 462 HB2 GLU 66 HB2 GLU 66 -4.118 9.204 -4.973 463 HB3 GLU 66 HB3 GLU 66 -4.619 9.893 -3.444 464 HG2 GLU 66 HG2 GLU 66 -6.219 10.015 -5.986 465 HG3 GLU 66 HG3 GLU 66 -6.496 8.908 -4.646 466 H VAL 67 H VAL 67 -1.846 11.807 -6.229 467 HA VAL 67 HA VAL 67 0.043 10.665 -4.527 468 HB VAL 67 HB VAL 67 1.757 12.122 -5.620 469 HG11 VAL 67 HG11 VAL 67 1.534 11.108 -7.820 470 HG12 VAL 67 HG12 VAL 67 -0.157 10.727 -7.489 471 HG13 VAL 67 HG13 VAL 67 1.123 9.956 -6.551 472 HG21 VAL 67 HG21 VAL 67 1.123 13.567 -7.445 473 HG22 VAL 67 HG22 VAL 67 0.311 14.089 -5.970 474 HG23 VAL 67 HG23 VAL 67 -0.582 13.190 -7.198 475 H ASP 68 H ASP 68 -1.379 13.870 -4.394 476 HA ASP 68 HA ASP 68 0.452 14.713 -2.294 477 HB2 ASP 68 HB2 ASP 68 -1.885 16.080 -3.640 478 HB3 ASP 68 HB3 ASP 68 -1.020 16.787 -2.277 479 H GLN 69 H GLN 69 -2.240 12.821 -2.465 480 HA GLN 69 HA GLN 69 -3.250 13.623 0.180 481 HB2 GLN 69 HB2 GLN 69 -4.578 11.932 -1.944 482 HB3 GLN 69 HB3 GLN 69 -5.285 12.371 -0.398 483 HG2 GLN 69 HG2 GLN 69 -4.522 14.280 -2.596 484 HG3 GLN 69 HG3 GLN 69 -6.156 13.745 -2.207 485 HE21 GLN 69 HE21 GLN 69 -6.581 14.034 0.290 486 HE22 GLN 69 HE22 GLN 69 -6.221 15.615 0.884 487 H GLY 70 H GLY 70 -0.891 11.781 -0.613 488 HA2 GLY 70 HA2 GLY 70 -0.054 10.173 0.970 489 HA3 GLY 70 HA3 GLY 70 -1.701 9.638 1.233 490 H LYS 71 H LYS 71 -0.674 10.117 -2.037 491 HA LYS 71 HA LYS 71 0.357 8.714 -3.580 492 HB2 LYS 71 HB2 LYS 71 1.446 7.245 -2.056 493 HB3 LYS 71 HB3 LYS 71 -0.083 6.558 -1.526 494 HG2 LYS 71 HG2 LYS 71 1.077 4.976 -2.922 495 HG3 LYS 71 HG3 LYS 71 -0.380 5.537 -3.748 496 HD2 LYS 71 HD2 LYS 71 1.578 5.369 -5.258 497 HD3 LYS 71 HD3 LYS 71 0.940 7.008 -5.150 498 HE2 LYS 71 HE2 LYS 71 2.975 6.490 -3.168 499 HE3 LYS 71 HE3 LYS 71 3.563 6.221 -4.801 500 HZ1 LYS 71 HZ1 LYS 71 2.384 8.709 -3.702 501 HZ2 LYS 71 HZ2 LYS 71 2.656 8.466 -5.354 502 HZ3 LYS 71 HZ3 LYS 71 3.961 8.475 -4.277 503 H SER 72 H SER 72 -0.498 7.784 -5.333 504 HA SER 72 HA SER 72 -3.264 6.799 -5.221 505 HB2 SER 72 HB2 SER 72 -2.786 9.229 -6.155 506 HB3 SER 72 HB3 SER 72 -2.343 8.334 -7.599 507 HG SER 72 HG SER 72 -4.497 8.700 -7.803 508 H GLY 73 H GLY 73 -0.104 6.785 -6.769 509 HA2 GLY 73 HA2 GLY 73 -0.541 5.143 -8.938 510 HA3 GLY 73 HA3 GLY 73 0.946 5.147 -7.992 511 H THR 74 H THR 74 0.737 3.874 -5.867 512 HA THR 74 HA THR 74 -0.257 1.252 -6.570 513 HB THR 74 HB THR 74 1.279 2.105 -4.107 514 HG1 THR 74 HG1 THR 74 2.180 2.210 -6.460 515 HG21 THR 74 HG21 THR 74 1.318 -0.054 -3.457 516 HG22 THR 74 HG22 THR 74 1.515 -0.642 -5.107 517 HG23 THR 74 HG23 THR 74 -0.089 -0.232 -4.505 518 H ARG 75 H ARG 75 -0.942 3.808 -4.246 519 HA ARG 75 HA ARG 75 -2.576 2.351 -2.489 520 HB2 ARG 75 HB2 ARG 75 -1.663 4.635 -2.030 521 HB3 ARG 75 HB3 ARG 75 -2.828 5.284 -3.171 522 HG2 ARG 75 HG2 ARG 75 -4.656 4.489 -1.811 523 HG3 ARG 75 HG3 ARG 75 -3.529 3.762 -0.674 524 HD2 ARG 75 HD2 ARG 75 -2.627 5.980 -0.165 525 HD3 ARG 75 HD3 ARG 75 -3.769 6.699 -1.302 526 HE ARG 75 HE ARG 75 -5.200 5.181 0.570 527 HH11 ARG 75 HH11 ARG 75 -6.302 6.198 2.290 528 HH12 ARG 75 HH12 ARG 75 -5.831 7.790 2.779 529 HH21 ARG 75 HH21 ARG 75 -3.282 8.073 0.395 530 HH22 ARG 75 HH22 ARG 75 -4.112 8.868 1.692 531 H GLU 76 H GLU 76 -3.483 4.311 -5.345 532 HA GLU 76 HA GLU 76 -6.259 3.953 -5.091 533 HB2 GLU 76 HB2 GLU 76 -5.307 5.664 -6.537 534 HB3 GLU 76 HB3 GLU 76 -4.596 4.434 -7.576 535 HG2 GLU 76 HG2 GLU 76 -6.915 3.649 -8.086 536 HG3 GLU 76 HG3 GLU 76 -7.519 5.020 -7.159 537 H LEU 77 H LEU 77 -3.832 2.076 -6.846 538 HA LEU 77 HA LEU 77 -5.598 0.302 -8.118 539 HB2 LEU 77 HB2 LEU 77 -3.262 0.579 -8.777 540 HB3 LEU 77 HB3 LEU 77 -2.736 -0.103 -7.252 541 HG LEU 77 HG LEU 77 -3.730 -2.270 -7.883 542 HD11 LEU 77 HD11 LEU 77 -4.234 -2.419 -10.439 543 HD12 LEU 77 HD12 LEU 77 -4.586 -0.698 -10.272 544 HD13 LEU 77 HD13 LEU 77 -5.487 -1.880 -9.320 545 HD21 LEU 77 HD21 LEU 77 -1.774 -1.042 -9.813 546 HD22 LEU 77 HD22 LEU 77 -2.135 -2.766 -9.742 547 HD23 LEU 77 HD23 LEU 77 -1.413 -1.957 -8.351 548 H LEU 78 H LEU 78 -3.887 0.046 -5.005 549 HA LEU 78 HA LEU 78 -4.919 -2.532 -4.390 550 HB2 LEU 78 HB2 LEU 78 -3.723 -0.410 -2.590 551 HB3 LEU 78 HB3 LEU 78 -4.089 -2.052 -2.079 552 HG LEU 78 HG LEU 78 -2.097 -1.271 -4.218 553 HD11 LEU 78 HD11 LEU 78 -1.837 -2.012 -1.335 554 HD12 LEU 78 HD12 LEU 78 -1.053 -0.716 -2.238 555 HD13 LEU 78 HD13 LEU 78 -0.544 -2.388 -2.474 556 HD21 LEU 78 HD21 LEU 78 -1.627 -3.886 -3.459 557 HD22 LEU 78 HD22 LEU 78 -2.389 -3.355 -4.957 558 HD23 LEU 78 HD23 LEU 78 -3.384 -3.796 -3.570 559 H TRP 79 H TRP 79 -5.984 0.744 -3.634 560 HA TRP 79 HA TRP 79 -8.114 -0.090 -1.898 561 HB2 TRP 79 HB2 TRP 79 -7.241 2.527 -3.049 562 HB3 TRP 79 HB3 TRP 79 -8.840 2.392 -2.325 563 HD1 TRP 79 HD1 TRP 79 -5.131 1.857 -1.332 564 HE1 TRP 79 HE1 TRP 79 -4.910 2.353 1.186 565 HE3 TRP 79 HE3 TRP 79 -10.054 2.672 -0.229 566 HZ2 TRP 79 HZ2 TRP 79 -6.599 3.002 3.351 567 HZ3 TRP 79 HZ3 TRP 79 -10.668 3.228 2.088 568 HH2 TRP 79 HH2 TRP 79 -8.975 3.387 3.840 569 H SER 80 H SER 80 -7.848 -0.257 -5.213 570 HA SER 80 HA SER 80 -10.294 0.716 -6.150 571 HB2 SER 80 HB2 SER 80 -8.565 -1.535 -7.176 572 HB3 SER 80 HB3 SER 80 -9.973 -0.920 -8.040 573 HG SER 80 HG SER 80 -7.933 0.832 -7.181 574 H TRP 81 H TRP 81 -9.550 -2.485 -4.768 575 HA TRP 81 HA TRP 81 -12.272 -3.367 -5.277 576 HB2 TRP 81 HB2 TRP 81 -9.898 -4.697 -3.970 577 HB3 TRP 81 HB3 TRP 81 -11.493 -5.443 -4.034 578 HD1 TRP 81 HD1 TRP 81 -8.409 -4.828 -6.109 579 HE1 TRP 81 HE1 TRP 81 -8.686 -5.949 -8.409 580 HE3 TRP 81 HE3 TRP 81 -13.374 -6.025 -5.841 581 HZ2 TRP 81 HZ2 TRP 81 -10.736 -7.176 -9.912 582 HZ3 TRP 81 HZ3 TRP 81 -14.416 -7.171 -7.752 583 HH2 TRP 81 HH2 TRP 81 -13.122 -7.733 -9.745 584 H ALA 82 H ALA 82 -10.643 -4.060 -2.239 585 HA ALA 82 HA ALA 82 -12.868 -2.743 -0.825 586 HB1 ALA 82 HB1 ALA 82 -11.271 -5.195 -0.267 587 HB2 ALA 82 HB2 ALA 82 -12.998 -4.904 -0.069 588 HB3 ALA 82 HB3 ALA 82 -11.854 -4.258 1.108 589 H GLN 83 H GLN 83 -9.818 -3.738 0.595 590 HA GLN 83 HA GLN 83 -9.145 -0.916 1.050 591 HB2 GLN 83 HB2 GLN 83 -8.390 -3.388 2.623 592 HB3 GLN 83 HB3 GLN 83 -7.833 -1.757 2.992 593 HG2 GLN 83 HG2 GLN 83 -10.699 -2.683 3.027 594 HG3 GLN 83 HG3 GLN 83 -9.669 -2.478 4.444 595 HE21 GLN 83 HE21 GLN 83 -12.060 -1.077 2.741 596 HE22 GLN 83 HE22 GLN 83 -11.781 0.580 3.133 597 H LYS 84 H LYS 84 -7.684 -4.131 0.591 598 HA LYS 84 HA LYS 84 -5.767 -2.911 -1.262 599 HB2 LYS 84 HB2 LYS 84 -4.450 -3.228 0.694 600 HB3 LYS 84 HB3 LYS 84 -5.156 -4.806 1.000 601 HG2 LYS 84 HG2 LYS 84 -3.957 -5.800 -0.768 602 HG3 LYS 84 HG3 LYS 84 -3.474 -4.236 -1.415 603 HD2 LYS 84 HD2 LYS 84 -1.609 -5.265 -0.270 604 HD3 LYS 84 HD3 LYS 84 -2.138 -3.835 0.616 605 HE2 LYS 84 HE2 LYS 84 -1.628 -5.783 2.076 606 HE3 LYS 84 HE3 LYS 84 -3.282 -5.186 2.232 607 HZ1 LYS 84 HZ1 LYS 84 -2.665 -7.745 1.893 608 HZ2 LYS 84 HZ2 LYS 84 -2.871 -7.298 0.277 609 HZ3 LYS 84 HZ3 LYS 84 -4.135 -7.075 1.383 610 H ASN 85 H ASN 85 -7.275 -5.880 -0.084 611 HA ASN 85 HA ASN 85 -7.831 -7.865 -1.038 612 HB2 ASN 85 HB2 ASN 85 -9.351 -6.120 -2.177 613 HB3 ASN 85 HB3 ASN 85 -8.332 -6.366 -3.592 614 HD21 ASN 85 HD21 ASN 85 -9.709 -7.422 -4.912 615 HD22 ASN 85 HD22 ASN 85 -10.443 -8.944 -4.543 616 H LYS 86 H LYS 86 -5.075 -7.380 -1.136 617 HA LYS 86 HA LYS 86 -4.362 -8.988 -3.471 618 HB2 LYS 86 HB2 LYS 86 -3.584 -6.240 -3.047 619 HB3 LYS 86 HB3 LYS 86 -2.163 -7.275 -3.017 620 HG2 LYS 86 HG2 LYS 86 -2.312 -6.703 -5.240 621 HG3 LYS 86 HG3 LYS 86 -3.137 -8.263 -5.205 622 HD2 LYS 86 HD2 LYS 86 -5.210 -6.601 -4.720 623 HD3 LYS 86 HD3 LYS 86 -4.199 -5.561 -5.726 624 HE2 LYS 86 HE2 LYS 86 -5.199 -8.322 -6.423 625 HE3 LYS 86 HE3 LYS 86 -5.770 -6.797 -7.102 626 HZ1 LYS 86 HZ1 LYS 86 -4.001 -8.244 -8.341 627 HZ2 LYS 86 HZ2 LYS 86 -2.918 -7.438 -7.319 628 HZ3 LYS 86 HZ3 LYS 86 -3.908 -6.555 -8.370 629 H THR 87 H THR 87 -1.980 -9.795 -3.152 630 HA THR 87 HA THR 87 -1.605 -10.323 -0.282 631 HB THR 87 HB THR 87 -0.692 -12.519 -0.814 632 HG1 THR 87 HG1 THR 87 -1.146 -13.229 -3.101 633 HG21 THR 87 HG21 THR 87 -3.321 -11.864 -0.770 634 HG22 THR 87 HG22 THR 87 -2.718 -13.519 -0.863 635 HG23 THR 87 HG23 THR 87 -3.213 -12.677 -2.331 636 H ILE 88 H ILE 88 0.584 -10.682 0.407 637 HA ILE 88 HA ILE 88 2.379 -8.753 -0.543 638 HB ILE 88 HB ILE 88 2.414 -10.860 1.515 639 HG12 ILE 88 HG12 ILE 88 3.525 -8.894 2.744 640 HG13 ILE 88 HG13 ILE 88 3.194 -7.956 1.294 641 HG21 ILE 88 HG21 ILE 88 4.904 -10.444 1.902 642 HG22 ILE 88 HG22 ILE 88 4.954 -9.941 0.212 643 HG23 ILE 88 HG23 ILE 88 4.453 -11.580 0.631 644 HD11 ILE 88 HD11 ILE 88 0.820 -8.359 1.564 645 HD12 ILE 88 HD12 ILE 88 1.503 -7.633 3.018 646 HD13 ILE 88 HD13 ILE 88 1.137 -9.357 2.983 647 H GLY 89 H GLY 89 2.164 -12.226 -1.186 648 HA2 GLY 89 HA2 GLY 89 4.599 -12.511 -2.572 649 HA3 GLY 89 HA3 GLY 89 3.190 -13.546 -2.764 650 H ASP 90 H ASP 90 1.382 -11.575 -3.707 651 HA ASP 90 HA ASP 90 1.933 -11.636 -6.470 652 HB2 ASP 90 HB2 ASP 90 -0.349 -11.564 -5.546 653 HB3 ASP 90 HB3 ASP 90 -0.067 -9.922 -4.977 654 H LEU 91 H LEU 91 2.106 -8.968 -4.124 655 HA LEU 91 HA LEU 91 2.990 -7.081 -6.107 656 HB2 LEU 91 HB2 LEU 91 2.082 -6.968 -3.410 657 HB3 LEU 91 HB3 LEU 91 3.645 -6.179 -3.489 658 HG LEU 91 HG LEU 91 2.025 -4.474 -3.784 659 HD11 LEU 91 HD11 LEU 91 2.519 -4.804 -6.657 660 HD12 LEU 91 HD12 LEU 91 3.954 -4.920 -5.639 661 HD13 LEU 91 HD13 LEU 91 2.939 -3.479 -5.572 662 HD21 LEU 91 HD21 LEU 91 0.721 -6.383 -5.707 663 HD22 LEU 91 HD22 LEU 91 0.340 -4.662 -5.681 664 HD23 LEU 91 HD23 LEU 91 0.045 -5.652 -4.252 665 H LEU 92 H LEU 92 4.532 -9.336 -3.979 666 HA LEU 92 HA LEU 92 7.068 -8.177 -3.729 667 HB2 LEU 92 HB2 LEU 92 6.330 -10.122 -2.430 668 HB3 LEU 92 HB3 LEU 92 6.324 -11.101 -3.886 669 HG LEU 92 HG LEU 92 8.772 -10.806 -4.075 670 HD11 LEU 92 HD11 LEU 92 9.825 -10.008 -1.819 671 HD12 LEU 92 HD12 LEU 92 8.312 -9.116 -1.663 672 HD13 LEU 92 HD13 LEU 92 9.361 -8.836 -3.052 673 HD21 LEU 92 HD21 LEU 92 7.815 -12.756 -2.930 674 HD22 LEU 92 HD22 LEU 92 7.868 -11.875 -1.404 675 HD23 LEU 92 HD23 LEU 92 9.367 -12.281 -2.239 676 H GLN 93 H GLN 93 5.719 -10.252 -6.250 677 HA GLN 93 HA GLN 93 8.067 -10.595 -7.771 678 HB2 GLN 93 HB2 GLN 93 5.145 -10.599 -8.548 679 HB3 GLN 93 HB3 GLN 93 6.439 -11.046 -9.652 680 HG2 GLN 93 HG2 GLN 93 7.041 -12.919 -8.306 681 HG3 GLN 93 HG3 GLN 93 5.955 -12.409 -7.015 682 HE21 GLN 93 HE21 GLN 93 3.836 -12.928 -7.111 683 HE22 GLN 93 HE22 GLN 93 3.135 -13.897 -8.359 684 H VAL 94 H VAL 94 5.542 -8.141 -7.809 685 HA VAL 94 HA VAL 94 6.501 -6.672 -10.040 686 HB VAL 94 HB VAL 94 4.738 -5.817 -7.732 687 HG11 VAL 94 HG11 VAL 94 4.544 -3.760 -8.582 688 HG12 VAL 94 HG12 VAL 94 4.472 -4.353 -10.242 689 HG13 VAL 94 HG13 VAL 94 6.034 -4.124 -9.452 690 HG21 VAL 94 HG21 VAL 94 3.530 -7.447 -8.842 691 HG22 VAL 94 HG22 VAL 94 4.204 -7.021 -10.416 692 HG23 VAL 94 HG23 VAL 94 3.003 -5.973 -9.659 693 H LEU 95 H LEU 95 7.016 -6.470 -6.557 694 HA LEU 95 HA LEU 95 8.476 -4.077 -6.442 695 HB2 LEU 95 HB2 LEU 95 8.567 -6.543 -4.701 696 HB3 LEU 95 HB3 LEU 95 9.418 -5.059 -4.317 697 HG LEU 95 HG LEU 95 6.423 -5.248 -4.639 698 HD11 LEU 95 HD11 LEU 95 8.129 -6.020 -2.442 699 HD12 LEU 95 HD12 LEU 95 6.388 -6.212 -2.639 700 HD13 LEU 95 HD13 LEU 95 7.040 -4.713 -1.982 701 HD21 LEU 95 HD21 LEU 95 8.272 -3.078 -3.672 702 HD22 LEU 95 HD22 LEU 95 6.531 -3.073 -3.393 703 HD23 LEU 95 HD23 LEU 95 7.159 -3.028 -5.040 704 H GLN 96 H GLN 96 9.467 -7.412 -6.999 705 HA GLN 96 HA GLN 96 12.252 -7.021 -6.960 706 HB2 GLN 96 HB2 GLN 96 11.128 -9.235 -6.873 707 HB3 GLN 96 HB3 GLN 96 10.667 -9.044 -8.559 708 HG2 GLN 96 HG2 GLN 96 12.999 -9.043 -9.223 709 HG3 GLN 96 HG3 GLN 96 13.496 -9.157 -7.535 710 HE21 GLN 96 HE21 GLN 96 14.497 -11.016 -9.085 711 HE22 GLN 96 HE22 GLN 96 13.706 -12.538 -8.880 712 H GLU 97 H GLU 97 9.862 -6.723 -9.531 713 HA GLU 97 HA GLU 97 11.621 -6.403 -11.703 714 HB2 GLU 97 HB2 GLU 97 8.787 -5.480 -11.237 715 HB3 GLU 97 HB3 GLU 97 9.624 -5.214 -12.761 716 HG2 GLU 97 HG2 GLU 97 9.213 -7.927 -11.524 717 HG3 GLU 97 HG3 GLU 97 8.132 -7.210 -12.714 718 H MET 98 H MET 98 10.232 -4.031 -9.458 719 HA MET 98 HA MET 98 11.579 -1.858 -10.852 720 HB2 MET 98 HB2 MET 98 9.416 -2.065 -8.899 721 HB3 MET 98 HB3 MET 98 10.543 -0.760 -8.546 722 HG2 MET 98 HG2 MET 98 9.075 -1.172 -11.143 723 HG3 MET 98 HG3 MET 98 8.685 0.019 -9.902 724 HE1 MET 98 HE1 MET 98 9.886 2.154 -12.800 725 HE2 MET 98 HE2 MET 98 9.397 2.665 -11.184 726 HE3 MET 98 HE3 MET 98 8.535 1.357 -11.992 727 H GLY 99 H GLY 99 12.343 -4.034 -8.378 728 HA2 GLY 99 HA2 GLY 99 14.270 -4.198 -7.114 729 HA3 GLY 99 HA3 GLY 99 14.859 -2.750 -7.915 730 H HIS 100 H HIS 100 11.903 -3.117 -5.999 731 HA HIS 100 HA HIS 100 12.451 -0.752 -4.495 732 HB2 HIS 100 HB2 HIS 100 10.171 -1.923 -5.093 733 HB3 HIS 100 HB3 HIS 100 10.457 -2.791 -3.588 734 HD2 HIS 100 HD2 HIS 100 8.521 0.105 -4.601 735 HE1 HIS 100 HE1 HIS 100 9.877 1.166 -0.758 736 H ARG 101 H ARG 101 14.347 -0.979 -3.395 737 HA ARG 101 HA ARG 101 15.156 -3.192 -1.872 738 HB2 ARG 101 HB2 ARG 101 15.934 -0.288 -1.835 739 HB3 ARG 101 HB3 ARG 101 16.732 -1.495 -0.831 740 HG2 ARG 101 HG2 ARG 101 17.489 -2.693 -2.770 741 HG3 ARG 101 HG3 ARG 101 16.553 -1.641 -3.835 742 HD2 ARG 101 HD2 ARG 101 17.925 0.260 -3.195 743 HD3 ARG 101 HD3 ARG 101 18.820 -0.742 -2.056 744 HE ARG 101 HE ARG 101 20.031 -1.607 -3.806 745 HH11 ARG 101 HH11 ARG 101 20.762 -1.686 -5.961 746 HH12 ARG 101 HH12 ARG 101 19.816 -0.955 -7.214 747 HH21 ARG 101 HH21 ARG 101 17.288 0.144 -5.059 748 HH22 ARG 101 HH22 ARG 101 17.835 0.087 -6.700 749 H ARG 102 H ARG 102 13.468 -0.220 -0.872 750 HA ARG 102 HA ARG 102 13.644 -0.742 1.904 751 HB2 ARG 102 HB2 ARG 102 13.159 1.490 0.867 752 HB3 ARG 102 HB3 ARG 102 11.530 0.916 0.537 753 HG2 ARG 102 HG2 ARG 102 11.229 2.044 2.515 754 HG3 ARG 102 HG3 ARG 102 11.482 0.389 3.085 755 HD2 ARG 102 HD2 ARG 102 13.800 2.268 2.799 756 HD3 ARG 102 HD3 ARG 102 12.758 2.355 4.218 757 HE ARG 102 HE ARG 102 13.490 -0.304 3.912 758 HH11 ARG 102 HH11 ARG 102 15.201 -1.233 5.105 759 HH12 ARG 102 HH12 ARG 102 16.431 -0.211 5.768 760 HH21 ARG 102 HH21 ARG 102 15.035 2.754 4.538 761 HH22 ARG 102 HH22 ARG 102 16.337 2.061 5.447 762 H ALA 103 H ALA 103 11.212 -1.546 -0.508 763 HA ALA 103 HA ALA 103 9.164 -2.363 1.235 764 HB1 ALA 103 HB1 ALA 103 9.233 -2.025 -1.381 765 HB2 ALA 103 HB2 ALA 103 8.044 -3.078 -0.613 766 HB3 ALA 103 HB3 ALA 103 9.482 -3.773 -1.360 767 H ILE 104 H ILE 104 11.910 -4.205 -0.099 768 HA ILE 104 HA ILE 104 11.002 -6.734 0.750 769 HB ILE 104 HB ILE 104 12.902 -6.258 -0.886 770 HG12 ILE 104 HG12 ILE 104 14.149 -8.348 -0.168 771 HG13 ILE 104 HG13 ILE 104 13.137 -8.354 1.274 772 HG21 ILE 104 HG21 ILE 104 15.168 -6.221 0.040 773 HG22 ILE 104 HG22 ILE 104 14.497 -6.097 1.666 774 HG23 ILE 104 HG23 ILE 104 14.246 -4.790 0.506 775 HD11 ILE 104 HD11 ILE 104 12.585 -9.482 -1.227 776 HD12 ILE 104 HD12 ILE 104 11.493 -8.107 -1.053 777 HD13 ILE 104 HD13 ILE 104 11.518 -9.375 0.172 778 H HIS 105 H HIS 105 12.698 -4.185 2.471 779 HA HIS 105 HA HIS 105 13.436 -5.776 4.715 780 HB2 HIS 105 HB2 HIS 105 13.179 -2.804 4.296 781 HB3 HIS 105 HB3 HIS 105 13.609 -3.488 5.861 782 HD2 HIS 105 HD2 HIS 105 15.210 -2.622 2.491 783 HE1 HIS 105 HE1 HIS 105 18.159 -4.601 4.759 784 H LEU 106 H LEU 106 10.647 -3.708 3.994 785 HA LEU 106 HA LEU 106 9.469 -4.228 6.585 786 HB2 LEU 106 HB2 LEU 106 9.205 -2.233 4.652 787 HB3 LEU 106 HB3 LEU 106 7.646 -3.034 4.681 788 HG LEU 106 HG LEU 106 7.475 -1.249 6.218 789 HD11 LEU 106 HD11 LEU 106 6.592 -2.390 7.916 790 HD12 LEU 106 HD12 LEU 106 8.128 -3.152 8.329 791 HD13 LEU 106 HD13 LEU 106 7.123 -3.832 7.047 792 HD21 LEU 106 HD21 LEU 106 9.083 -0.682 7.873 793 HD22 LEU 106 HD22 LEU 106 9.953 -0.882 6.354 794 HD23 LEU 106 HD23 LEU 106 10.009 -2.154 7.573 795 H ILE 107 H ILE 107 9.289 -5.659 3.447 796 HA ILE 107 HA ILE 107 6.720 -6.788 3.575 797 HB ILE 107 HB ILE 107 8.425 -6.694 1.595 798 HG12 ILE 107 HG12 ILE 107 7.262 -8.838 0.657 799 HG13 ILE 107 HG13 ILE 107 6.358 -8.775 2.168 800 HG21 ILE 107 HG21 ILE 107 9.503 -8.860 1.140 801 HG22 ILE 107 HG22 ILE 107 9.041 -9.407 2.752 802 HG23 ILE 107 HG23 ILE 107 10.168 -8.062 2.566 803 HD11 ILE 107 HD11 ILE 107 5.179 -7.676 0.332 804 HD12 ILE 107 HD12 ILE 107 6.527 -6.555 0.143 805 HD13 ILE 107 HD13 ILE 107 5.573 -6.545 1.627 806 H THR 108 H THR 108 9.584 -7.557 5.285 807 HA THR 108 HA THR 108 9.068 -10.296 5.851 808 HB THR 108 HB THR 108 10.753 -10.060 7.625 809 HG1 THR 108 HG1 THR 108 11.167 -7.357 6.936 810 HG21 THR 108 HG21 THR 108 12.618 -9.121 6.154 811 HG22 THR 108 HG22 THR 108 11.366 -8.825 4.948 812 HG23 THR 108 HG23 THR 108 11.689 -10.470 5.498 813 H ASN 109 H ASN 109 7.595 -7.447 6.930 814 HA ASN 109 HA ASN 109 6.941 -8.201 9.599 815 HB2 ASN 109 HB2 ASN 109 6.872 -5.861 8.819 816 HB3 ASN 109 HB3 ASN 109 5.539 -6.259 7.744 817 HD21 ASN 109 HD21 ASN 109 6.494 -6.211 11.142 818 HD22 ASN 109 HD22 ASN 109 4.910 -5.912 11.762 819 H TYR 110 H TYR 110 5.619 -8.948 6.489 820 HA TYR 110 HA TYR 110 3.011 -9.715 7.239 821 HB2 TYR 110 HB2 TYR 110 3.530 -9.319 4.928 822 HB3 TYR 110 HB3 TYR 110 4.793 -10.541 4.942 823 HD1 TYR 110 HD1 TYR 110 1.106 -10.130 5.311 824 HD2 TYR 110 HD2 TYR 110 4.321 -12.714 4.265 825 HE1 TYR 110 HE1 TYR 110 -0.504 -11.802 4.502 826 HE2 TYR 110 HE2 TYR 110 2.719 -14.391 3.454 827 HH TYR 110 HH TYR 110 0.160 -14.916 4.037 828 H GLY 111 H GLY 111 2.282 -11.438 8.322 829 HA2 GLY 111 HA2 GLY 111 3.943 -13.866 8.404 830 HA3 GLY 111 HA3 GLY 111 3.367 -13.159 9.904 831 H ALA 112 H ALA 112 1.229 -12.900 7.244 832 HA ALA 112 HA ALA 112 -0.663 -14.641 8.561 833 HB1 ALA 112 HB1 ALA 112 -2.282 -13.591 7.373 834 HB2 ALA 112 HB2 ALA 112 -1.311 -13.519 5.901 835 HB3 ALA 112 HB3 ALA 112 -1.024 -12.366 7.206 836 H VAL 113 H VAL 113 -1.898 -16.275 7.312 837 HA VAL 113 HA VAL 113 -0.141 -17.703 5.431 838 HB VAL 113 HB VAL 113 -1.096 -19.823 6.274 839 HG11 VAL 113 HG11 VAL 113 0.910 -19.582 7.297 840 HG12 VAL 113 HG12 VAL 113 -0.103 -19.428 8.735 841 HG13 VAL 113 HG13 VAL 113 0.516 -17.984 7.933 842 HG21 VAL 113 HG21 VAL 113 -2.202 -18.360 8.640 843 HG22 VAL 113 HG22 VAL 113 -2.577 -19.979 8.047 844 HG23 VAL 113 HG23 VAL 113 -3.183 -18.563 7.188 845 H LEU 114 H LEU 114 -1.315 -19.240 3.997 846 HA LEU 114 HA LEU 114 -3.399 -17.883 2.622 847 HB2 LEU 114 HB2 LEU 114 -2.352 -20.695 2.276 848 HB3 LEU 114 HB3 LEU 114 -3.424 -19.874 1.157 849 HG LEU 114 HG LEU 114 -0.608 -19.002 1.817 850 HD11 LEU 114 HD11 LEU 114 -1.684 -20.284 -0.691 851 HD12 LEU 114 HD12 LEU 114 -0.733 -21.115 0.541 852 HD13 LEU 114 HD13 LEU 114 -0.019 -19.793 -0.383 853 HD21 LEU 114 HD21 LEU 114 -1.679 -17.047 1.195 854 HD22 LEU 114 HD22 LEU 114 -2.766 -17.873 0.079 855 HD23 LEU 114 HD23 LEU 114 -1.070 -17.645 -0.348 856 H SER 115 H SER 115 -5.533 -18.567 2.244 857 HA SER 115 HA SER 115 -7.619 -19.172 2.904 858 HB2 SER 115 HB2 SER 115 -6.172 -21.671 3.808 859 HB3 SER 115 HB3 SER 115 -7.917 -21.524 3.602 860 HG SER 115 HG SER 115 -6.307 -22.296 1.785 861 HA PRO 116 HA PRO 116 -6.538 -17.825 7.343 862 HB2 PRO 116 HB2 PRO 116 -8.520 -15.768 6.474 863 HB3 PRO 116 HB3 PRO 116 -7.044 -15.572 7.425 864 HG2 PRO 116 HG2 PRO 116 -7.055 -14.813 4.902 865 HG3 PRO 116 HG3 PRO 116 -5.662 -15.714 5.538 866 HD2 PRO 116 HD2 PRO 116 -7.949 -16.705 3.864 867 HD3 PRO 116 HD3 PRO 116 -6.212 -17.040 3.704 868 H SER 117 H SER 117 -9.608 -17.983 5.573 869 HA SER 117 HA SER 117 -10.842 -19.136 7.983 870 HB2 SER 117 HB2 SER 117 -12.143 -17.261 5.989 871 HB3 SER 117 HB3 SER 117 -12.976 -18.063 7.319 872 HG SER 117 HG SER 117 -10.790 -16.797 8.235 873 H GLU 118 H GLU 118 -12.358 -20.794 7.640 874 HA GLU 118 HA GLU 118 -12.413 -21.881 4.904 875 HB2 GLU 118 HB2 GLU 118 -12.123 -23.381 7.515 876 HB3 GLU 118 HB3 GLU 118 -12.473 -24.157 5.977 877 HG2 GLU 118 HG2 GLU 118 -10.359 -23.387 5.075 878 HG3 GLU 118 HG3 GLU 118 -10.015 -22.521 6.570 879 H LYS 119 H LYS 119 -14.331 -22.863 4.235 880 HA LYS 119 HA LYS 119 -16.691 -21.986 5.686 881 HB2 LYS 119 HB2 LYS 119 -16.201 -21.903 3.087 882 HB3 LYS 119 HB3 LYS 119 -16.824 -23.546 3.136 883 HG2 LYS 119 HG2 LYS 119 -18.638 -22.142 2.573 884 HG3 LYS 119 HG3 LYS 119 -18.877 -22.625 4.253 885 HD2 LYS 119 HD2 LYS 119 -18.017 -20.494 5.023 886 HD3 LYS 119 HD3 LYS 119 -17.647 -20.016 3.364 887 HE2 LYS 119 HE2 LYS 119 -20.029 -20.114 2.809 888 HE3 LYS 119 HE3 LYS 119 -20.397 -20.591 4.466 889 HZ1 LYS 119 HZ1 LYS 119 -19.267 -18.435 5.127 890 HZ2 LYS 119 HZ2 LYS 119 -20.782 -18.301 4.380 891 HZ3 LYS 119 HZ3 LYS 119 -19.375 -17.991 3.494 892 H SER 120 H SER 120 -15.823 -23.684 7.363 893 HA SER 120 HA SER 120 -16.780 -26.378 6.745 894 HB2 SER 120 HB2 SER 120 -15.680 -27.018 8.864 895 HB3 SER 120 HB3 SER 120 -14.568 -26.204 7.765 896 HG SER 120 HG SER 120 -14.930 -25.562 10.207 897 H TYR 121 H TYR 121 -18.077 -23.601 7.933 898 HA TYR 121 HA TYR 121 -19.754 -24.928 9.933 899 HB2 TYR 121 HB2 TYR 121 -20.544 -22.598 10.445 900 HB3 TYR 121 HB3 TYR 121 -18.834 -22.878 10.739 901 HD1 TYR 121 HD1 TYR 121 -21.284 -21.150 8.620 902 HD2 TYR 121 HD2 TYR 121 -17.145 -21.759 9.401 903 HE1 TYR 121 HE1 TYR 121 -20.739 -19.197 7.233 904 HE2 TYR 121 HE2 TYR 121 -16.590 -19.807 8.012 905 HH TYR 121 HH TYR 121 -18.036 -17.569 7.326 906 H GLN 122 H GLN 122 -19.998 -25.314 7.002 907 HA GLN 122 HA GLN 122 -22.268 -23.985 5.994 908 HB2 GLN 122 HB2 GLN 122 -21.054 -26.665 5.314 909 HB3 GLN 122 HB3 GLN 122 -22.397 -25.963 4.422 910 HG2 GLN 122 HG2 GLN 122 -21.001 -24.037 3.849 911 HG3 GLN 122 HG3 GLN 122 -19.654 -24.762 4.727 912 HE21 GLN 122 HE21 GLN 122 -18.220 -25.527 3.361 913 HE22 GLN 122 HE22 GLN 122 -18.561 -26.391 1.901 914 H GLU 123 H GLU 123 -21.918 -26.976 7.843 915 HA GLU 123 HA GLU 123 -24.840 -27.000 8.200 916 HB2 GLU 123 HB2 GLU 123 -22.986 -29.360 7.835 917 HB3 GLU 123 HB3 GLU 123 -24.639 -29.506 8.413 918 HG2 GLU 123 HG2 GLU 123 -25.492 -28.632 6.335 919 HG3 GLU 123 HG3 GLU 123 -23.858 -28.329 5.756 920 H GLY 124 H GLY 124 -25.601 -27.497 10.258 921 HA2 GLY 124 HA2 GLY 124 -24.036 -28.492 12.372 922 HA3 GLY 124 HA3 GLY 124 -23.999 -26.738 12.430 Start of MODEL 6 1 H1 SER 1 HT1 SER 1 -15.925 4.257 24.535 2 H2 SER 1 HT2 SER 1 -16.211 4.660 26.151 3 H3 SER 1 HT3 SER 1 -17.353 5.059 24.967 4 HA SER 1 HA SER 1 -16.604 2.334 25.864 5 HB2 SER 1 HB2 SER 1 -19.409 2.956 26.008 6 HB3 SER 1 HB3 SER 1 -18.307 2.512 27.315 7 HG SER 1 HG SER 1 -17.798 5.020 26.589 8 H GLU 2 H GLU 2 -17.274 4.134 23.209 9 HA GLU 2 HA GLU 2 -18.533 1.854 21.836 10 HB2 GLU 2 HB2 GLU 2 -19.049 4.787 21.297 11 HB3 GLU 2 HB3 GLU 2 -19.701 3.451 20.361 12 HG2 GLU 2 HG2 GLU 2 -20.252 3.889 23.287 13 HG3 GLU 2 HG3 GLU 2 -21.297 4.447 21.984 14 H PHE 3 H PHE 3 -17.853 1.466 19.703 15 HA PHE 3 HA PHE 3 -15.307 2.770 19.014 16 HB2 PHE 3 HB2 PHE 3 -15.112 0.363 19.468 17 HB3 PHE 3 HB3 PHE 3 -16.333 0.024 18.246 18 HD1 PHE 3 HD1 PHE 3 -12.943 1.452 18.723 19 HD2 PHE 3 HD2 PHE 3 -15.726 -0.291 16.014 20 HE1 PHE 3 HE1 PHE 3 -11.175 1.284 17.020 21 HE2 PHE 3 HE2 PHE 3 -13.963 -0.463 14.307 22 HZ PHE 3 HZ PHE 3 -11.684 0.325 14.810 23 H GLY 4 H GLY 4 -15.302 4.054 17.282 24 HA2 GLY 4 HA2 GLY 4 -16.419 3.492 14.801 25 HA3 GLY 4 HA3 GLY 4 -17.611 4.436 15.682 26 H SER 5 H SER 5 -17.156 5.877 13.779 27 HA SER 5 HA SER 5 -16.334 7.799 12.903 28 HB2 SER 5 HB2 SER 5 -15.245 8.180 15.700 29 HB3 SER 5 HB3 SER 5 -15.365 9.441 14.473 30 HG SER 5 HG SER 5 -17.191 8.820 16.194 31 H MET 6 H MET 6 -14.817 5.592 12.300 32 HA MET 6 HA MET 6 -12.034 6.056 12.798 33 HB2 MET 6 HB2 MET 6 -13.484 4.217 10.892 34 HB3 MET 6 HB3 MET 6 -11.731 4.278 11.023 35 HG2 MET 6 HG2 MET 6 -11.971 3.721 13.446 36 HG3 MET 6 HG3 MET 6 -13.692 3.472 13.156 37 HE1 MET 6 HE1 MET 6 -14.709 1.309 12.038 38 HE2 MET 6 HE2 MET 6 -13.796 0.376 10.855 39 HE3 MET 6 HE3 MET 6 -14.097 2.092 10.582 40 H ALA 7 H ALA 7 -10.480 6.869 11.415 41 HA ALA 7 HA ALA 7 -11.296 7.932 8.829 42 HB1 ALA 7 HB1 ALA 7 -9.777 9.990 10.067 43 HB2 ALA 7 HB2 ALA 7 -11.116 9.578 11.139 44 HB3 ALA 7 HB3 ALA 7 -11.437 10.055 9.471 45 H GLY 8 H GLY 8 -9.461 8.596 7.509 46 HA2 GLY 8 HA2 GLY 8 -7.256 6.807 7.794 47 HA3 GLY 8 HA3 GLY 8 -7.440 8.036 6.553 48 H ASN 9 H ASN 9 -5.028 7.328 7.960 49 HA ASN 9 HA ASN 9 -4.253 9.972 8.826 50 HB2 ASN 9 HB2 ASN 9 -5.151 8.482 10.838 51 HB3 ASN 9 HB3 ASN 9 -3.528 7.805 10.750 52 HD21 ASN 9 HD21 ASN 9 -4.549 9.216 12.949 53 HD22 ASN 9 HD22 ASN 9 -3.635 10.670 13.127 54 H CYS 10 H CYS 10 -1.853 10.007 9.334 55 HA CYS 10 HA CYS 10 -0.408 8.921 7.178 56 HB2 CYS 10 HB2 CYS 10 0.275 10.970 8.340 57 HB3 CYS 10 HB3 CYS 10 0.625 10.042 9.794 58 HG CYS 10 HG CYS 10 2.919 8.984 9.024 59 H GLY 11 H GLY 11 -0.510 7.977 10.602 60 HA2 GLY 11 HA2 GLY 11 -0.273 5.832 11.485 61 HA3 GLY 11 HA3 GLY 11 0.156 5.251 9.883 62 H ALA 12 H ALA 12 1.714 4.063 11.393 63 HA ALA 12 HA ALA 12 4.189 5.645 11.561 64 HB1 ALA 12 HB1 ALA 12 3.177 5.208 13.815 65 HB2 ALA 12 HB2 ALA 12 4.813 4.582 13.606 66 HB3 ALA 12 HB3 ALA 12 3.433 3.486 13.526 67 H ARG 13 H ARG 13 6.020 4.675 10.820 68 HA ARG 13 HA ARG 13 5.829 1.881 9.942 69 HB2 ARG 13 HB2 ARG 13 6.813 4.238 8.331 70 HB3 ARG 13 HB3 ARG 13 7.130 2.565 7.887 71 HG2 ARG 13 HG2 ARG 13 4.816 2.127 7.562 72 HG3 ARG 13 HG3 ARG 13 4.362 3.677 8.274 73 HD2 ARG 13 HD2 ARG 13 6.011 3.405 5.768 74 HD3 ARG 13 HD3 ARG 13 4.256 3.574 5.768 75 HE ARG 13 HE ARG 13 6.202 5.637 6.276 76 HH11 ARG 13 HH11 ARG 13 5.417 7.763 6.544 77 HH12 ARG 13 HH12 ARG 13 3.728 8.023 6.831 78 HH21 ARG 13 HH21 ARG 13 2.896 4.626 6.736 79 HH22 ARG 13 HH22 ARG 13 2.289 6.237 6.948 80 H GLY 14 H GLY 14 7.767 0.715 9.931 81 HA2 GLY 14 HA2 GLY 14 10.340 1.421 10.169 82 HA3 GLY 14 HA3 GLY 14 9.744 1.728 11.794 83 H ALA 15 H ALA 15 10.931 0.115 12.792 84 HA ALA 15 HA ALA 15 11.154 -2.541 11.904 85 HB1 ALA 15 HB1 ALA 15 11.297 -1.499 14.733 86 HB2 ALA 15 HB2 ALA 15 12.640 -1.573 13.590 87 HB3 ALA 15 HB3 ALA 15 11.890 -3.061 14.172 88 H LEU 16 H LEU 16 8.791 -0.965 13.996 89 HA LEU 16 HA LEU 16 7.312 -3.471 14.282 90 HB2 LEU 16 HB2 LEU 16 7.423 -0.915 15.748 91 HB3 LEU 16 HB3 LEU 16 5.817 -1.596 15.589 92 HG LEU 16 HG LEU 16 6.763 -2.297 17.688 93 HD11 LEU 16 HD11 LEU 16 5.543 -3.946 16.008 94 HD12 LEU 16 HD12 LEU 16 6.146 -4.481 17.577 95 HD13 LEU 16 HD13 LEU 16 7.087 -4.791 16.118 96 HD21 LEU 16 HD21 LEU 16 8.810 -3.935 17.444 97 HD22 LEU 16 HD22 LEU 16 9.045 -2.193 17.593 98 HD23 LEU 16 HD23 LEU 16 9.126 -2.961 16.007 99 H SER 17 H SER 17 5.451 -3.882 13.212 100 HA SER 17 HA SER 17 4.674 -2.041 11.111 101 HB2 SER 17 HB2 SER 17 3.058 -3.961 10.581 102 HB3 SER 17 HB3 SER 17 4.784 -4.304 10.433 103 HG SER 17 HG SER 17 3.254 -4.863 12.758 104 H ALA 18 H ALA 18 3.354 -0.406 11.652 105 HA ALA 18 HA ALA 18 1.290 -0.780 13.675 106 HB1 ALA 18 HB1 ALA 18 2.324 1.277 13.968 107 HB2 ALA 18 HB2 ALA 18 0.853 1.702 13.092 108 HB3 ALA 18 HB3 ALA 18 2.393 1.604 12.235 109 H HIS 19 H HIS 19 1.633 -1.138 10.393 110 HA HIS 19 HA HIS 19 -1.203 -0.647 9.826 111 HB2 HIS 19 HB2 HIS 19 1.155 -0.890 7.954 112 HB3 HIS 19 HB3 HIS 19 -0.516 -0.731 7.424 113 HD2 HIS 19 HD2 HIS 19 2.439 1.451 8.331 114 HE1 HIS 19 HE1 HIS 19 -0.914 4.001 8.355 115 H THR 20 H THR 20 0.074 -3.069 11.137 116 HA THR 20 HA THR 20 -0.178 -5.167 9.186 117 HB THR 20 HB THR 20 1.446 -5.460 10.942 118 HG1 THR 20 HG1 THR 20 -0.497 -7.329 11.712 119 HG21 THR 20 HG21 THR 20 0.355 -6.027 13.294 120 HG22 THR 20 HG22 THR 20 -0.868 -4.891 12.721 121 HG23 THR 20 HG23 THR 20 0.815 -4.380 12.858 122 H LEU 21 H LEU 21 -1.856 -6.370 8.694 123 HA LEU 21 HA LEU 21 -3.970 -7.081 10.436 124 HB2 LEU 21 HB2 LEU 21 -4.354 -4.584 9.332 125 HB3 LEU 21 HB3 LEU 21 -5.195 -5.630 8.204 126 HG LEU 21 HG LEU 21 -6.199 -6.591 10.506 127 HD11 LEU 21 HD11 LEU 21 -6.410 -5.063 12.200 128 HD12 LEU 21 HD12 LEU 21 -6.124 -3.682 11.139 129 HD13 LEU 21 HD13 LEU 21 -4.777 -4.710 11.631 130 HD21 LEU 21 HD21 LEU 21 -7.948 -4.584 10.082 131 HD22 LEU 21 HD22 LEU 21 -7.852 -6.032 9.082 132 HD23 LEU 21 HD23 LEU 21 -7.051 -4.549 8.562 133 H LEU 22 H LEU 22 -5.886 -7.989 8.776 134 HA LEU 22 HA LEU 22 -4.466 -9.992 7.265 135 HB2 LEU 22 HB2 LEU 22 -7.156 -9.641 8.319 136 HB3 LEU 22 HB3 LEU 22 -7.158 -10.326 6.706 137 HG LEU 22 HG LEU 22 -5.566 -12.086 7.535 138 HD11 LEU 22 HD11 LEU 22 -4.877 -12.224 9.678 139 HD12 LEU 22 HD12 LEU 22 -6.378 -11.556 10.322 140 HD13 LEU 22 HD13 LEU 22 -5.151 -10.482 9.649 141 HD21 LEU 22 HD21 LEU 22 -8.366 -11.775 8.529 142 HD22 LEU 22 HD22 LEU 22 -7.414 -13.180 9.009 143 HD23 LEU 22 HD23 LEU 22 -7.723 -12.866 7.302 144 H PHE 23 H PHE 23 -7.049 -7.672 6.364 145 HA PHE 23 HA PHE 23 -6.640 -8.104 3.566 146 HB2 PHE 23 HB2 PHE 23 -8.213 -6.042 5.113 147 HB3 PHE 23 HB3 PHE 23 -8.122 -6.031 3.354 148 HD1 PHE 23 HD1 PHE 23 -9.636 -7.541 6.258 149 HD2 PHE 23 HD2 PHE 23 -9.017 -7.963 2.067 150 HE1 PHE 23 HE1 PHE 23 -11.479 -9.166 6.154 151 HE2 PHE 23 HE2 PHE 23 -10.861 -9.586 1.956 152 HZ PHE 23 HZ PHE 23 -12.096 -10.192 3.998 153 H ASP 24 H ASP 24 -5.561 -5.783 5.905 154 HA ASP 24 HA ASP 24 -3.885 -4.492 3.875 155 HB2 ASP 24 HB2 ASP 24 -3.687 -2.654 5.739 156 HB3 ASP 24 HB3 ASP 24 -5.070 -2.680 4.655 157 H LEU 25 H LEU 25 -2.543 -6.400 4.210 158 HA LEU 25 HA LEU 25 -1.223 -7.178 6.489 159 HB2 LEU 25 HB2 LEU 25 -0.168 -7.006 3.665 160 HB3 LEU 25 HB3 LEU 25 0.631 -7.877 4.959 161 HG LEU 25 HG LEU 25 -2.138 -8.505 3.951 162 HD11 LEU 25 HD11 LEU 25 0.346 -10.104 3.433 163 HD12 LEU 25 HD12 LEU 25 -0.251 -8.881 2.311 164 HD13 LEU 25 HD13 LEU 25 -1.249 -10.284 2.703 165 HD21 LEU 25 HD21 LEU 25 -0.503 -9.471 6.180 166 HD22 LEU 25 HD22 LEU 25 -1.193 -10.742 5.171 167 HD23 LEU 25 HD23 LEU 25 -2.247 -9.550 5.931 168 HA PRO 26 HA PRO 26 1.626 -4.300 8.242 169 HB2 PRO 26 HB2 PRO 26 3.844 -5.935 7.127 170 HB3 PRO 26 HB3 PRO 26 3.575 -5.379 8.777 171 HG2 PRO 26 HG2 PRO 26 3.043 -7.927 7.855 172 HG3 PRO 26 HG3 PRO 26 2.346 -7.202 9.311 173 HD2 PRO 26 HD2 PRO 26 1.020 -7.929 6.873 174 HD3 PRO 26 HD3 PRO 26 0.315 -7.234 8.340 175 HA PRO 27 HA PRO 27 3.083 -1.162 5.534 176 HB2 PRO 27 HB2 PRO 27 5.717 -1.400 6.907 177 HB3 PRO 27 HB3 PRO 27 4.751 0.041 6.555 178 HG2 PRO 27 HG2 PRO 27 4.779 -0.995 8.986 179 HG3 PRO 27 HG3 PRO 27 3.280 -0.363 8.291 180 HD2 PRO 27 HD2 PRO 27 4.128 -3.187 8.701 181 HD3 PRO 27 HD3 PRO 27 2.507 -2.472 8.759 182 H ALA 28 H ALA 28 4.637 -4.193 5.543 183 HA ALA 28 HA ALA 28 6.815 -3.839 3.861 184 HB1 ALA 28 HB1 ALA 28 6.775 -5.965 4.666 185 HB2 ALA 28 HB2 ALA 28 6.018 -6.271 3.102 186 HB3 ALA 28 HB3 ALA 28 5.020 -6.094 4.546 187 H LEU 29 H LEU 29 3.358 -4.126 3.067 188 HA LEU 29 HA LEU 29 4.096 -3.736 0.247 189 HB2 LEU 29 HB2 LEU 29 2.492 -5.650 1.244 190 HB3 LEU 29 HB3 LEU 29 1.295 -4.408 0.907 191 HG LEU 29 HG LEU 29 2.016 -4.319 -1.428 192 HD11 LEU 29 HD11 LEU 29 4.117 -4.937 -1.858 193 HD12 LEU 29 HD12 LEU 29 3.521 -6.596 -1.819 194 HD13 LEU 29 HD13 LEU 29 4.231 -5.880 -0.372 195 HD21 LEU 29 HD21 LEU 29 0.393 -5.817 -1.651 196 HD22 LEU 29 HD22 LEU 29 0.817 -6.599 -0.128 197 HD23 LEU 29 HD23 LEU 29 1.635 -7.069 -1.617 198 H LEU 30 H LEU 30 1.066 -2.923 1.948 199 HA LEU 30 HA LEU 30 0.573 -0.620 0.418 200 HB2 LEU 30 HB2 LEU 30 -1.083 -1.996 1.758 201 HB3 LEU 30 HB3 LEU 30 -0.488 -1.188 3.189 202 HG LEU 30 HG LEU 30 -2.673 -0.388 1.925 203 HD11 LEU 30 HD11 LEU 30 -2.414 1.781 2.942 204 HD12 LEU 30 HD12 LEU 30 -0.668 1.553 3.058 205 HD13 LEU 30 HD13 LEU 30 -1.756 0.536 4.006 206 HD21 LEU 30 HD21 LEU 30 -2.274 1.475 0.439 207 HD22 LEU 30 HD22 LEU 30 -1.523 0.020 -0.212 208 HD23 LEU 30 HD23 LEU 30 -0.530 1.247 0.576 209 H GLY 31 H GLY 31 1.918 -0.870 3.736 210 HA2 GLY 31 HA2 GLY 31 1.984 1.889 4.250 211 HA3 GLY 31 HA3 GLY 31 2.993 0.694 5.035 212 H GLU 32 H GLU 32 4.676 -0.167 3.142 213 HA GLU 32 HA GLU 32 6.463 2.028 2.899 214 HB2 GLU 32 HB2 GLU 32 7.090 -0.354 3.341 215 HB3 GLU 32 HB3 GLU 32 6.726 -0.704 1.655 216 HG2 GLU 32 HG2 GLU 32 8.661 1.473 2.270 217 HG3 GLU 32 HG3 GLU 32 9.178 -0.201 2.448 218 H LEU 33 H LEU 33 4.573 0.204 0.477 219 HA LEU 33 HA LEU 33 5.780 1.515 -1.721 220 HB2 LEU 33 HB2 LEU 33 3.146 0.038 -1.564 221 HB3 LEU 33 HB3 LEU 33 3.867 0.651 -3.049 222 HG LEU 33 HG LEU 33 5.142 -1.402 -1.241 223 HD11 LEU 33 HD11 LEU 33 4.637 -2.982 -3.058 224 HD12 LEU 33 HD12 LEU 33 3.717 -1.720 -3.877 225 HD13 LEU 33 HD13 LEU 33 3.184 -2.325 -2.308 226 HD21 LEU 33 HD21 LEU 33 6.069 0.112 -3.588 227 HD22 LEU 33 HD22 LEU 33 6.383 -1.624 -3.625 228 HD23 LEU 33 HD23 LEU 33 6.986 -0.645 -2.285 229 H CYS 34 H CYS 34 2.830 2.290 0.131 230 HA CYS 34 HA CYS 34 2.087 4.363 -1.697 231 HB2 CYS 34 HB2 CYS 34 0.353 4.952 -0.174 232 HB3 CYS 34 HB3 CYS 34 0.473 3.195 -0.163 233 HG CYS 34 HG CYS 34 1.532 2.936 2.300 234 H ALA 35 H ALA 35 4.097 4.235 1.178 235 HA ALA 35 HA ALA 35 4.187 7.120 1.412 236 HB1 ALA 35 HB1 ALA 35 6.211 5.989 2.995 237 HB2 ALA 35 HB2 ALA 35 4.825 4.901 3.087 238 HB3 ALA 35 HB3 ALA 35 4.640 6.604 3.509 239 H VAL 36 H VAL 36 6.659 4.610 0.762 240 HA VAL 36 HA VAL 36 8.721 6.463 0.233 241 HB VAL 36 HB VAL 36 8.468 3.540 -0.466 242 HG11 VAL 36 HG11 VAL 36 11.084 4.981 -0.498 243 HG12 VAL 36 HG12 VAL 36 10.059 5.018 -1.931 244 HG13 VAL 36 HG13 VAL 36 10.621 3.475 -1.290 245 HG21 VAL 36 HG21 VAL 36 8.573 4.126 1.922 246 HG22 VAL 36 HG22 VAL 36 10.092 4.971 1.634 247 HG23 VAL 36 HG23 VAL 36 9.994 3.227 1.390 248 H LEU 37 H LEU 37 6.582 4.696 -2.027 249 HA LEU 37 HA LEU 37 7.890 5.812 -4.320 250 HB2 LEU 37 HB2 LEU 37 5.216 4.451 -4.140 251 HB3 LEU 37 HB3 LEU 37 6.037 4.859 -5.628 252 HG LEU 37 HG LEU 37 6.952 2.850 -3.562 253 HD11 LEU 37 HD11 LEU 37 5.900 2.526 -6.364 254 HD12 LEU 37 HD12 LEU 37 5.076 2.075 -4.873 255 HD13 LEU 37 HD13 LEU 37 6.549 1.235 -5.355 256 HD21 LEU 37 HD21 LEU 37 8.910 3.821 -4.480 257 HD22 LEU 37 HD22 LEU 37 8.223 3.845 -6.105 258 HD23 LEU 37 HD23 LEU 37 8.653 2.310 -5.351 259 H ASP 38 H ASP 38 5.502 6.967 -2.174 260 HA ASP 38 HA ASP 38 3.979 8.661 -3.782 261 HB2 ASP 38 HB2 ASP 38 3.323 8.351 -1.505 262 HB3 ASP 38 HB3 ASP 38 4.878 8.926 -0.910 263 H SER 39 H SER 39 7.158 9.107 -2.373 264 HA SER 39 HA SER 39 7.344 11.839 -3.363 265 HB2 SER 39 HB2 SER 39 9.335 10.144 -1.837 266 HB3 SER 39 HB3 SER 39 9.556 11.843 -2.248 267 HG SER 39 HG SER 39 7.171 11.427 -1.032 268 H CYS 40 H CYS 40 7.425 9.122 -4.966 269 HA CYS 40 HA CYS 40 9.969 9.075 -6.223 270 HB2 CYS 40 HB2 CYS 40 8.322 7.176 -6.191 271 HB3 CYS 40 HB3 CYS 40 7.368 8.061 -7.386 272 HG CYS 40 HG CYS 40 10.180 6.288 -7.772 273 H ASP 41 H ASP 41 10.619 9.834 -8.224 274 HA ASP 41 HA ASP 41 8.875 11.768 -9.561 275 HB2 ASP 41 HB2 ASP 41 10.544 12.854 -7.905 276 HB3 ASP 41 HB3 ASP 41 11.772 12.426 -9.092 277 H GLY 42 H GLY 42 9.184 9.317 -10.550 278 HA2 GLY 42 HA2 GLY 42 9.486 8.593 -12.771 279 HA3 GLY 42 HA3 GLY 42 10.712 9.830 -12.985 280 H ALA 43 H ALA 43 11.772 8.659 -10.233 281 HA ALA 43 HA ALA 43 13.850 7.125 -11.362 282 HB1 ALA 43 HB1 ALA 43 14.059 8.335 -9.229 283 HB2 ALA 43 HB2 ALA 43 14.523 6.640 -9.080 284 HB3 ALA 43 HB3 ALA 43 12.955 7.182 -8.480 285 H LEU 44 H LEU 44 10.910 6.200 -9.656 286 HA LEU 44 HA LEU 44 11.276 3.431 -10.604 287 HB2 LEU 44 HB2 LEU 44 9.894 4.392 -8.069 288 HB3 LEU 44 HB3 LEU 44 9.874 2.743 -8.656 289 HG LEU 44 HG LEU 44 12.445 4.171 -7.960 290 HD11 LEU 44 HD11 LEU 44 10.837 3.949 -6.037 291 HD12 LEU 44 HD12 LEU 44 12.404 3.168 -5.836 292 HD13 LEU 44 HD13 LEU 44 10.982 2.203 -6.234 293 HD21 LEU 44 HD21 LEU 44 11.689 1.341 -8.611 294 HD22 LEU 44 HD22 LEU 44 13.166 1.737 -7.734 295 HD23 LEU 44 HD23 LEU 44 12.916 2.359 -9.367 296 H GLY 45 H GLY 45 9.204 6.170 -10.179 297 HA2 GLY 45 HA2 GLY 45 7.397 6.785 -11.508 298 HA3 GLY 45 HA3 GLY 45 7.377 5.162 -12.189 299 H TRP 46 H TRP 46 5.706 7.260 -10.232 300 HA TRP 46 HA TRP 46 4.760 5.668 -8.159 301 HB2 TRP 46 HB2 TRP 46 2.579 7.072 -8.476 302 HB3 TRP 46 HB3 TRP 46 4.079 7.881 -7.998 303 HD1 TRP 46 HD1 TRP 46 1.781 7.425 -11.059 304 HE1 TRP 46 HE1 TRP 46 2.207 9.367 -12.691 305 HE3 TRP 46 HE3 TRP 46 5.734 9.630 -8.681 306 HZ2 TRP 46 HZ2 TRP 46 3.974 11.553 -12.933 307 HZ3 TRP 46 HZ3 TRP 46 6.729 11.645 -9.676 308 HH2 TRP 46 HH2 TRP 46 5.868 12.586 -11.759 309 H ARG 47 H ARG 47 3.607 5.894 -11.495 310 HA ARG 47 HA ARG 47 1.650 3.804 -11.109 311 HB2 ARG 47 HB2 ARG 47 1.210 4.030 -13.520 312 HB3 ARG 47 HB3 ARG 47 1.107 5.571 -12.694 313 HG2 ARG 47 HG2 ARG 47 3.401 6.089 -13.486 314 HG3 ARG 47 HG3 ARG 47 3.391 4.570 -14.383 315 HD2 ARG 47 HD2 ARG 47 1.460 5.345 -15.668 316 HD3 ARG 47 HD3 ARG 47 1.473 6.865 -14.773 317 HE ARG 47 HE ARG 47 3.998 6.459 -15.934 318 HH11 ARG 47 HH11 ARG 47 4.610 7.594 -17.809 319 HH12 ARG 47 HH12 ARG 47 3.391 8.288 -18.825 320 HH21 ARG 47 HH21 ARG 47 0.719 7.192 -16.849 321 HH22 ARG 47 HH22 ARG 47 1.172 8.060 -18.276 322 H GLY 48 H GLY 48 4.914 3.656 -11.306 323 HA2 GLY 48 HA2 GLY 48 5.494 1.891 -13.387 324 HA3 GLY 48 HA3 GLY 48 6.397 2.005 -11.892 325 H LEU 49 H LEU 49 4.689 1.031 -10.009 326 HA LEU 49 HA LEU 49 4.754 -1.763 -10.585 327 HB2 LEU 49 HB2 LEU 49 3.552 -0.263 -8.255 328 HB3 LEU 49 HB3 LEU 49 3.698 -2.007 -8.345 329 HG LEU 49 HG LEU 49 6.008 -0.045 -8.306 330 HD11 LEU 49 HD11 LEU 49 6.443 -0.934 -6.091 331 HD12 LEU 49 HD12 LEU 49 5.038 -1.994 -6.214 332 HD13 LEU 49 HD13 LEU 49 4.821 -0.245 -6.165 333 HD21 LEU 49 HD21 LEU 49 6.742 -1.893 -9.559 334 HD22 LEU 49 HD22 LEU 49 5.881 -3.043 -8.537 335 HD23 LEU 49 HD23 LEU 49 7.305 -2.205 -7.918 336 H ALA 50 H ALA 50 2.139 0.627 -10.287 337 HA ALA 50 HA ALA 50 -0.004 -1.194 -10.537 338 HB1 ALA 50 HB1 ALA 50 -1.352 0.788 -11.111 339 HB2 ALA 50 HB2 ALA 50 0.133 1.736 -11.192 340 HB3 ALA 50 HB3 ALA 50 -0.367 1.008 -9.665 341 H GLU 51 H GLU 51 1.726 0.690 -12.976 342 HA GLU 51 HA GLU 51 0.060 0.203 -15.148 343 HB2 GLU 51 HB2 GLU 51 1.815 1.924 -15.136 344 HB3 GLU 51 HB3 GLU 51 3.049 0.673 -15.121 345 HG2 GLU 51 HG2 GLU 51 2.344 -0.076 -17.328 346 HG3 GLU 51 HG3 GLU 51 1.065 1.135 -17.341 347 H ARG 52 H ARG 52 2.932 -1.541 -14.014 348 HA ARG 52 HA ARG 52 2.889 -3.473 -16.095 349 HB2 ARG 52 HB2 ARG 52 4.328 -3.376 -13.444 350 HB3 ARG 52 HB3 ARG 52 4.508 -4.713 -14.579 351 HG2 ARG 52 HG2 ARG 52 5.308 -3.175 -16.288 352 HG3 ARG 52 HG3 ARG 52 5.083 -1.826 -15.185 353 HD2 ARG 52 HD2 ARG 52 6.789 -2.700 -13.709 354 HD3 ARG 52 HD3 ARG 52 6.981 -4.118 -14.744 355 HE ARG 52 HE ARG 52 7.356 -1.880 -16.346 356 HH11 ARG 52 HH11 ARG 52 9.430 -1.190 -16.954 357 HH12 ARG 52 HH12 ARG 52 10.791 -1.579 -15.957 358 HH21 ARG 52 HH21 ARG 52 8.901 -3.313 -13.578 359 HH22 ARG 52 HH22 ARG 52 10.490 -2.796 -14.038 360 H LEU 53 H LEU 53 1.517 -3.382 -12.846 361 HA LEU 53 HA LEU 53 0.789 -6.118 -12.744 362 HB2 LEU 53 HB2 LEU 53 0.916 -4.433 -10.817 363 HB3 LEU 53 HB3 LEU 53 -0.678 -3.895 -11.329 364 HG LEU 53 HG LEU 53 -0.438 -6.803 -10.903 365 HD11 LEU 53 HD11 LEU 53 -0.772 -6.301 -8.368 366 HD12 LEU 53 HD12 LEU 53 0.125 -4.826 -8.737 367 HD13 LEU 53 HD13 LEU 53 0.855 -6.403 -9.041 368 HD21 LEU 53 HD21 LEU 53 -2.549 -5.612 -11.409 369 HD22 LEU 53 HD22 LEU 53 -2.399 -4.754 -9.877 370 HD23 LEU 53 HD23 LEU 53 -2.603 -6.506 -9.891 371 H SER 54 H SER 54 -1.008 -3.207 -13.778 372 HA SER 54 HA SER 54 -2.644 -4.837 -15.508 373 HB2 SER 54 HB2 SER 54 -4.799 -4.219 -14.531 374 HB3 SER 54 HB3 SER 54 -3.820 -5.080 -13.343 375 HG SER 54 HG SER 54 -3.273 -2.502 -13.104 376 H SER 55 H SER 55 -4.051 -3.550 -16.910 377 HA SER 55 HA SER 55 -3.412 -0.687 -16.951 378 HB2 SER 55 HB2 SER 55 -3.247 -2.549 -19.335 379 HB3 SER 55 HB3 SER 55 -3.112 -0.793 -19.415 380 HG SER 55 HG SER 55 -1.422 -1.863 -17.567 381 H SER 56 H SER 56 -5.027 0.645 -17.785 382 HA SER 56 HA SER 56 -7.377 -0.471 -19.012 383 HB2 SER 56 HB2 SER 56 -8.970 0.269 -17.314 384 HB3 SER 56 HB3 SER 56 -7.836 -0.887 -16.616 385 HG SER 56 HG SER 56 -8.044 0.837 -15.213 386 H TRP 57 H TRP 57 -8.975 1.259 -19.559 387 HA TRP 57 HA TRP 57 -7.611 3.470 -20.723 388 HB2 TRP 57 HB2 TRP 57 -9.580 2.347 -21.747 389 HB3 TRP 57 HB3 TRP 57 -10.591 3.006 -20.468 390 HD1 TRP 57 HD1 TRP 57 -7.964 4.770 -22.735 391 HE1 TRP 57 HE1 TRP 57 -9.109 6.803 -23.825 392 HE3 TRP 57 HE3 TRP 57 -12.676 4.160 -20.846 393 HZ2 TRP 57 HZ2 TRP 57 -11.670 7.989 -23.877 394 HZ3 TRP 57 HZ3 TRP 57 -14.415 5.785 -21.465 395 HH2 TRP 57 HH2 TRP 57 -13.921 7.661 -22.948 396 H LEU 58 H LEU 58 -7.306 5.462 -20.006 397 HA LEU 58 HA LEU 58 -7.301 7.336 -18.742 398 HB2 LEU 58 HB2 LEU 58 -10.097 6.410 -18.137 399 HB3 LEU 58 HB3 LEU 58 -9.440 7.911 -17.514 400 HG LEU 58 HG LEU 58 -9.666 7.260 -20.454 401 HD11 LEU 58 HD11 LEU 58 -11.682 8.045 -18.582 402 HD12 LEU 58 HD12 LEU 58 -11.824 7.744 -20.316 403 HD13 LEU 58 HD13 LEU 58 -11.398 9.353 -19.732 404 HD21 LEU 58 HD21 LEU 58 -8.039 8.887 -20.334 405 HD22 LEU 58 HD22 LEU 58 -8.730 9.623 -18.889 406 HD23 LEU 58 HD23 LEU 58 -9.500 9.867 -20.456 407 H ASP 59 H ASP 59 -6.646 4.584 -17.541 408 HA ASP 59 HA ASP 59 -7.208 4.666 -14.779 409 HB2 ASP 59 HB2 ASP 59 -6.406 2.647 -15.980 410 HB3 ASP 59 HB3 ASP 59 -4.820 3.400 -16.136 411 H VAL 60 H VAL 60 -4.515 5.938 -16.665 412 HA VAL 60 HA VAL 60 -2.932 6.726 -14.459 413 HB VAL 60 HB VAL 60 -1.646 8.064 -16.063 414 HG11 VAL 60 HG11 VAL 60 -1.309 6.042 -17.735 415 HG12 VAL 60 HG12 VAL 60 -2.345 5.220 -16.569 416 HG13 VAL 60 HG13 VAL 60 -0.820 5.933 -16.044 417 HG21 VAL 60 HG21 VAL 60 -2.318 8.597 -18.165 418 HG22 VAL 60 HG22 VAL 60 -3.917 8.441 -17.438 419 HG23 VAL 60 HG23 VAL 60 -3.236 7.105 -18.369 420 H ASP 61 H ASP 61 -5.709 8.169 -15.880 421 HA ASP 61 HA ASP 61 -5.223 10.888 -15.343 422 HB2 ASP 61 HB2 ASP 61 -7.095 10.098 -16.742 423 HB3 ASP 61 HB3 ASP 61 -7.867 9.406 -15.320 424 H HIS 62 H HIS 62 -6.812 8.396 -13.363 425 HA HIS 62 HA HIS 62 -7.151 10.116 -11.117 426 HB2 HIS 62 HB2 HIS 62 -8.397 7.879 -11.773 427 HB3 HIS 62 HB3 HIS 62 -7.119 7.142 -10.809 428 HD2 HIS 62 HD2 HIS 62 -7.731 6.991 -8.204 429 HE1 HIS 62 HE1 HIS 62 -10.641 10.034 -8.032 430 H ILE 63 H ILE 63 -4.622 7.999 -12.244 431 HA ILE 63 HA ILE 63 -3.186 7.618 -9.862 432 HB ILE 63 HB ILE 63 -2.227 7.765 -12.726 433 HG12 ILE 63 HG12 ILE 63 -2.474 5.405 -10.849 434 HG13 ILE 63 HG13 ILE 63 -3.706 5.864 -12.026 435 HG21 ILE 63 HG21 ILE 63 -0.106 7.780 -12.082 436 HG22 ILE 63 HG22 ILE 63 -0.383 6.388 -11.035 437 HG23 ILE 63 HG23 ILE 63 -0.635 8.021 -10.418 438 HD11 ILE 63 HD11 ILE 63 -1.398 4.252 -12.392 439 HD12 ILE 63 HD12 ILE 63 -1.260 5.681 -13.415 440 HD13 ILE 63 HD13 ILE 63 -2.677 4.637 -13.541 441 H GLU 64 H GLU 64 -3.038 10.203 -12.287 442 HA GLU 64 HA GLU 64 -0.956 11.673 -11.053 443 HB2 GLU 64 HB2 GLU 64 -3.125 12.475 -12.994 444 HB3 GLU 64 HB3 GLU 64 -1.861 13.575 -12.459 445 HG2 GLU 64 HG2 GLU 64 -0.163 12.200 -13.438 446 HG3 GLU 64 HG3 GLU 64 -1.338 10.943 -13.822 447 H LYS 65 H LYS 65 -4.447 11.700 -10.695 448 HA LYS 65 HA LYS 65 -4.728 14.106 -9.284 449 HB2 LYS 65 HB2 LYS 65 -6.412 11.618 -9.418 450 HB3 LYS 65 HB3 LYS 65 -6.909 13.054 -8.532 451 HG2 LYS 65 HG2 LYS 65 -6.847 14.368 -10.566 452 HG3 LYS 65 HG3 LYS 65 -6.253 12.975 -11.470 453 HD2 LYS 65 HD2 LYS 65 -8.322 11.776 -11.009 454 HD3 LYS 65 HD3 LYS 65 -8.915 13.135 -10.061 455 HE2 LYS 65 HE2 LYS 65 -8.849 14.558 -12.044 456 HE3 LYS 65 HE3 LYS 65 -8.226 13.210 -12.994 457 HZ1 LYS 65 HZ1 LYS 65 -10.862 13.865 -12.605 458 HZ2 LYS 65 HZ2 LYS 65 -10.623 12.496 -11.642 459 HZ3 LYS 65 HZ3 LYS 65 -10.266 12.439 -13.294 460 H GLU 66 H GLU 66 -4.378 10.769 -7.926 461 HA GLU 66 HA GLU 66 -4.440 11.968 -5.271 462 HB2 GLU 66 HB2 GLU 66 -3.955 9.032 -5.618 463 HB3 GLU 66 HB3 GLU 66 -4.754 9.897 -4.322 464 HG2 GLU 66 HG2 GLU 66 -6.589 10.453 -5.973 465 HG3 GLU 66 HG3 GLU 66 -5.848 9.259 -7.040 466 H VAL 67 H VAL 67 -1.991 11.492 -7.470 467 HA VAL 67 HA VAL 67 0.054 10.382 -5.929 468 HB VAL 67 HB VAL 67 0.154 10.957 -8.405 469 HG11 VAL 67 HG11 VAL 67 1.335 13.156 -8.864 470 HG12 VAL 67 HG12 VAL 67 0.792 13.661 -7.262 471 HG13 VAL 67 HG13 VAL 67 -0.391 13.241 -8.503 472 HG21 VAL 67 HG21 VAL 67 2.109 10.033 -7.716 473 HG22 VAL 67 HG22 VAL 67 2.344 11.211 -6.425 474 HG23 VAL 67 HG23 VAL 67 2.699 11.651 -8.096 475 H ASP 68 H ASP 68 -1.258 13.632 -5.909 476 HA ASP 68 HA ASP 68 0.771 14.578 -4.048 477 HB2 ASP 68 HB2 ASP 68 -1.621 15.916 -5.322 478 HB3 ASP 68 HB3 ASP 68 -0.635 16.699 -4.089 479 H GLN 69 H GLN 69 -1.946 12.753 -3.813 480 HA GLN 69 HA GLN 69 -2.750 13.837 -1.200 481 HB2 GLN 69 HB2 GLN 69 -4.223 11.932 -3.029 482 HB3 GLN 69 HB3 GLN 69 -4.813 12.516 -1.479 483 HG2 GLN 69 HG2 GLN 69 -4.248 14.211 -3.903 484 HG3 GLN 69 HG3 GLN 69 -5.840 13.704 -3.340 485 HE21 GLN 69 HE21 GLN 69 -3.874 16.253 -3.453 486 HE22 GLN 69 HE22 GLN 69 -4.351 17.088 -2.020 487 H GLY 70 H GLY 70 -0.413 11.989 -1.866 488 HA2 GLY 70 HA2 GLY 70 0.519 10.543 -0.186 489 HA3 GLY 70 HA3 GLY 70 -1.102 9.987 0.181 490 H LYS 71 H LYS 71 -0.258 10.245 -3.142 491 HA LYS 71 HA LYS 71 0.707 8.774 -4.655 492 HB2 LYS 71 HB2 LYS 71 1.967 7.415 -3.192 493 HB3 LYS 71 HB3 LYS 71 0.522 6.801 -2.395 494 HG2 LYS 71 HG2 LYS 71 1.287 5.018 -3.694 495 HG3 LYS 71 HG3 LYS 71 -0.047 5.706 -4.624 496 HD2 LYS 71 HD2 LYS 71 1.463 5.591 -6.325 497 HD3 LYS 71 HD3 LYS 71 2.017 7.121 -5.639 498 HE2 LYS 71 HE2 LYS 71 3.990 6.202 -5.323 499 HE3 LYS 71 HE3 LYS 71 3.261 5.068 -4.191 500 HZ1 LYS 71 HZ1 LYS 71 4.530 4.182 -6.243 501 HZ2 LYS 71 HZ2 LYS 71 3.111 4.537 -7.088 502 HZ3 LYS 71 HZ3 LYS 71 3.077 3.442 -5.797 503 H SER 72 H SER 72 -0.221 7.554 -6.240 504 HA SER 72 HA SER 72 -2.975 6.633 -5.817 505 HB2 SER 72 HB2 SER 72 -2.743 8.946 -6.947 506 HB3 SER 72 HB3 SER 72 -2.174 8.040 -8.341 507 HG SER 72 HG SER 72 -4.426 8.346 -8.450 508 H GLY 73 H GLY 73 -0.009 6.524 -7.749 509 HA2 GLY 73 HA2 GLY 73 -0.664 4.619 -9.623 510 HA3 GLY 73 HA3 GLY 73 0.933 4.761 -8.899 511 H THR 74 H THR 74 1.010 3.756 -6.585 512 HA THR 74 HA THR 74 0.059 1.049 -6.900 513 HB THR 74 HB THR 74 1.720 2.163 -4.630 514 HG1 THR 74 HG1 THR 74 2.362 1.837 -7.216 515 HG21 THR 74 HG21 THR 74 0.490 -0.282 -4.857 516 HG22 THR 74 HG22 THR 74 1.915 0.053 -3.873 517 HG23 THR 74 HG23 THR 74 2.103 -0.605 -5.498 518 H ARG 75 H ARG 75 -0.496 3.810 -4.780 519 HA ARG 75 HA ARG 75 -1.923 2.495 -2.753 520 HB2 ARG 75 HB2 ARG 75 -1.028 4.836 -2.613 521 HB3 ARG 75 HB3 ARG 75 -2.339 5.345 -3.665 522 HG2 ARG 75 HG2 ARG 75 -3.976 4.630 -2.047 523 HG3 ARG 75 HG3 ARG 75 -2.707 4.027 -0.986 524 HD2 ARG 75 HD2 ARG 75 -1.838 6.306 -0.758 525 HD3 ARG 75 HD3 ARG 75 -3.128 6.896 -1.806 526 HE ARG 75 HE ARG 75 -4.296 5.486 0.308 527 HH11 ARG 75 HH11 ARG 75 -5.241 6.586 2.066 528 HH12 ARG 75 HH12 ARG 75 -4.761 8.215 2.410 529 HH21 ARG 75 HH21 ARG 75 -2.477 8.395 -0.238 530 HH22 ARG 75 HH22 ARG 75 -3.189 9.253 1.088 531 H GLU 76 H GLU 76 -3.137 4.135 -5.700 532 HA GLU 76 HA GLU 76 -5.871 3.745 -5.146 533 HB2 GLU 76 HB2 GLU 76 -5.112 5.335 -6.838 534 HB3 GLU 76 HB3 GLU 76 -4.480 4.023 -7.826 535 HG2 GLU 76 HG2 GLU 76 -6.823 3.148 -7.989 536 HG3 GLU 76 HG3 GLU 76 -7.353 4.617 -7.169 537 H LEU 77 H LEU 77 -3.528 1.773 -6.902 538 HA LEU 77 HA LEU 77 -5.298 -0.172 -7.878 539 HB2 LEU 77 HB2 LEU 77 -2.999 0.087 -8.675 540 HB3 LEU 77 HB3 LEU 77 -2.387 -0.410 -7.109 541 HG LEU 77 HG LEU 77 -3.369 -2.657 -7.463 542 HD11 LEU 77 HD11 LEU 77 -5.162 -2.438 -8.893 543 HD12 LEU 77 HD12 LEU 77 -3.927 -3.102 -9.963 544 HD13 LEU 77 HD13 LEU 77 -4.288 -1.377 -9.999 545 HD21 LEU 77 HD21 LEU 77 -1.443 -3.283 -8.378 546 HD22 LEU 77 HD22 LEU 77 -1.078 -1.567 -8.559 547 HD23 LEU 77 HD23 LEU 77 -1.808 -2.457 -9.894 548 H LEU 78 H LEU 78 -3.398 -0.073 -4.873 549 HA LEU 78 HA LEU 78 -4.323 -2.591 -3.923 550 HB2 LEU 78 HB2 LEU 78 -3.055 -0.270 -2.453 551 HB3 LEU 78 HB3 LEU 78 -3.325 -1.861 -1.753 552 HG LEU 78 HG LEU 78 -1.525 -1.242 -4.107 553 HD11 LEU 78 HD11 LEU 78 0.255 -1.969 -2.502 554 HD12 LEU 78 HD12 LEU 78 -0.952 -1.884 -1.221 555 HD13 LEU 78 HD13 LEU 78 -0.514 -0.429 -2.117 556 HD21 LEU 78 HD21 LEU 78 -0.931 -3.762 -3.096 557 HD22 LEU 78 HD22 LEU 78 -1.754 -3.399 -4.614 558 HD23 LEU 78 HD23 LEU 78 -2.693 -3.715 -3.154 559 H TRP 79 H TRP 79 -5.389 0.733 -3.413 560 HA TRP 79 HA TRP 79 -7.360 0.020 -1.444 561 HB2 TRP 79 HB2 TRP 79 -6.542 2.558 -2.779 562 HB3 TRP 79 HB3 TRP 79 -8.098 2.486 -1.959 563 HD1 TRP 79 HD1 TRP 79 -4.358 2.552 -1.279 564 HE1 TRP 79 HE1 TRP 79 -3.976 2.900 1.244 565 HE3 TRP 79 HE3 TRP 79 -9.171 2.010 0.352 566 HZ2 TRP 79 HZ2 TRP 79 -5.515 2.940 3.614 567 HZ3 TRP 79 HZ3 TRP 79 -9.633 2.223 2.759 568 HH2 TRP 79 HH2 TRP 79 -7.840 2.676 4.357 569 H SER 80 H SER 80 -7.381 -0.378 -4.742 570 HA SER 80 HA SER 80 -9.885 0.566 -5.543 571 HB2 SER 80 HB2 SER 80 -8.302 -1.819 -6.511 572 HB3 SER 80 HB3 SER 80 -9.773 -1.246 -7.296 573 HG SER 80 HG SER 80 -7.618 0.511 -6.800 574 H TRP 81 H TRP 81 -9.063 -2.515 -3.960 575 HA TRP 81 HA TRP 81 -11.837 -3.369 -4.112 576 HB2 TRP 81 HB2 TRP 81 -9.355 -4.640 -2.945 577 HB3 TRP 81 HB3 TRP 81 -10.960 -5.348 -2.768 578 HD1 TRP 81 HD1 TRP 81 -8.091 -5.072 -5.171 579 HE1 TRP 81 HE1 TRP 81 -8.645 -6.354 -7.335 580 HE3 TRP 81 HE3 TRP 81 -13.068 -5.934 -4.358 581 HZ2 TRP 81 HZ2 TRP 81 -10.894 -7.566 -8.537 582 HZ3 TRP 81 HZ3 TRP 81 -14.347 -7.160 -6.063 583 HH2 TRP 81 HH2 TRP 81 -13.281 -7.957 -8.111 584 H ALA 82 H ALA 82 -9.908 -3.834 -1.212 585 HA ALA 82 HA ALA 82 -11.951 -2.355 0.311 586 HB1 ALA 82 HB1 ALA 82 -12.022 -4.501 1.172 587 HB2 ALA 82 HB2 ALA 82 -10.870 -3.725 2.262 588 HB3 ALA 82 HB3 ALA 82 -10.291 -4.759 0.954 589 H GLN 83 H GLN 83 -8.796 -3.340 1.436 590 HA GLN 83 HA GLN 83 -8.017 -0.514 1.724 591 HB2 GLN 83 HB2 GLN 83 -7.607 -2.923 3.448 592 HB3 GLN 83 HB3 GLN 83 -6.323 -1.721 3.404 593 HG2 GLN 83 HG2 GLN 83 -7.715 -1.225 5.259 594 HG3 GLN 83 HG3 GLN 83 -8.014 0.001 4.029 595 HE21 GLN 83 HE21 GLN 83 -10.063 0.556 4.055 596 HE22 GLN 83 HE22 GLN 83 -11.413 -0.511 4.201 597 H LYS 84 H LYS 84 -6.612 -3.758 1.364 598 HA LYS 84 HA LYS 84 -4.913 -2.704 -0.779 599 HB2 LYS 84 HB2 LYS 84 -3.330 -2.871 0.951 600 HB3 LYS 84 HB3 LYS 84 -4.070 -4.322 1.614 601 HG2 LYS 84 HG2 LYS 84 -3.178 -5.672 -0.113 602 HG3 LYS 84 HG3 LYS 84 -2.693 -4.269 -1.052 603 HD2 LYS 84 HD2 LYS 84 -0.778 -5.305 0.030 604 HD3 LYS 84 HD3 LYS 84 -1.056 -3.685 0.663 605 HE2 LYS 84 HE2 LYS 84 -0.520 -5.373 2.405 606 HE3 LYS 84 HE3 LYS 84 -2.073 -4.567 2.643 607 HZ1 LYS 84 HZ1 LYS 84 -3.212 -6.465 2.285 608 HZ2 LYS 84 HZ2 LYS 84 -1.758 -7.201 2.748 609 HZ3 LYS 84 HZ3 LYS 84 -2.137 -7.043 1.108 610 H ASN 85 H ASN 85 -6.305 -5.536 0.800 611 HA ASN 85 HA ASN 85 -6.997 -7.576 0.075 612 HB2 ASN 85 HB2 ASN 85 -8.595 -5.873 -1.038 613 HB3 ASN 85 HB3 ASN 85 -7.747 -6.280 -2.527 614 HD21 ASN 85 HD21 ASN 85 -9.254 -7.419 -3.599 615 HD22 ASN 85 HD22 ASN 85 -9.997 -8.862 -3.012 616 H LYS 86 H LYS 86 -4.256 -7.048 -0.415 617 HA LYS 86 HA LYS 86 -3.791 -8.912 -2.619 618 HB2 LYS 86 HB2 LYS 86 -3.040 -6.116 -2.591 619 HB3 LYS 86 HB3 LYS 86 -1.607 -7.131 -2.651 620 HG2 LYS 86 HG2 LYS 86 -2.097 -6.746 -4.883 621 HG3 LYS 86 HG3 LYS 86 -2.798 -8.339 -4.586 622 HD2 LYS 86 HD2 LYS 86 -4.951 -6.959 -4.034 623 HD3 LYS 86 HD3 LYS 86 -4.155 -5.707 -4.989 624 HE2 LYS 86 HE2 LYS 86 -4.791 -8.516 -5.893 625 HE3 LYS 86 HE3 LYS 86 -5.640 -7.048 -6.377 626 HZ1 LYS 86 HZ1 LYS 86 -4.104 -7.665 -8.082 627 HZ2 LYS 86 HZ2 LYS 86 -2.819 -7.747 -6.986 628 HZ3 LYS 86 HZ3 LYS 86 -3.530 -6.255 -7.345 629 H THR 87 H THR 87 -1.396 -9.655 -2.511 630 HA THR 87 HA THR 87 -0.600 -9.794 0.317 631 HB THR 87 HB THR 87 0.227 -12.067 -0.043 632 HG1 THR 87 HG1 THR 87 -0.601 -13.072 -2.105 633 HG21 THR 87 HG21 THR 87 -1.792 -13.096 0.262 634 HG22 THR 87 HG22 THR 87 -2.553 -12.244 -1.084 635 HG23 THR 87 HG23 THR 87 -2.300 -11.418 0.454 636 H ILE 88 H ILE 88 1.678 -10.180 0.677 637 HA ILE 88 HA ILE 88 3.313 -8.407 -0.736 638 HB ILE 88 HB ILE 88 3.780 -10.467 1.369 639 HG12 ILE 88 HG12 ILE 88 4.706 -8.430 2.537 640 HG13 ILE 88 HG13 ILE 88 4.248 -7.488 1.122 641 HG21 ILE 88 HG21 ILE 88 5.723 -10.870 0.082 642 HG22 ILE 88 HG22 ILE 88 6.206 -9.819 1.413 643 HG23 ILE 88 HG23 ILE 88 5.976 -9.148 -0.201 644 HD11 ILE 88 HD11 ILE 88 1.908 -8.098 1.500 645 HD12 ILE 88 HD12 ILE 88 2.615 -7.264 2.886 646 HD13 ILE 88 HD13 ILE 88 2.388 -9.012 2.928 647 H GLY 89 H GLY 89 2.998 -11.933 -0.994 648 HA2 GLY 89 HA2 GLY 89 5.134 -12.363 -2.776 649 HA3 GLY 89 HA3 GLY 89 3.727 -13.403 -2.605 650 H ASP 90 H ASP 90 1.748 -11.523 -3.381 651 HA ASP 90 HA ASP 90 1.788 -11.846 -6.184 652 HB2 ASP 90 HB2 ASP 90 -0.288 -11.695 -4.864 653 HB3 ASP 90 HB3 ASP 90 0.057 -10.003 -4.522 654 H LEU 91 H LEU 91 2.334 -8.966 -4.168 655 HA LEU 91 HA LEU 91 2.799 -7.265 -6.439 656 HB2 LEU 91 HB2 LEU 91 2.378 -6.901 -3.659 657 HB3 LEU 91 HB3 LEU 91 3.921 -6.168 -4.047 658 HG LEU 91 HG LEU 91 2.333 -4.429 -4.223 659 HD11 LEU 91 HD11 LEU 91 2.261 -5.002 -7.096 660 HD12 LEU 91 HD12 LEU 91 3.861 -5.135 -6.365 661 HD13 LEU 91 HD13 LEU 91 2.947 -3.633 -6.221 662 HD21 LEU 91 HD21 LEU 91 0.290 -4.644 -5.627 663 HD22 LEU 91 HD22 LEU 91 0.300 -5.707 -4.218 664 HD23 LEU 91 HD23 LEU 91 0.648 -6.361 -5.819 665 H LEU 92 H LEU 92 4.739 -9.323 -4.455 666 HA LEU 92 HA LEU 92 7.256 -8.144 -4.769 667 HB2 LEU 92 HB2 LEU 92 6.805 -9.953 -3.186 668 HB3 LEU 92 HB3 LEU 92 6.550 -11.069 -4.515 669 HG LEU 92 HG LEU 92 8.918 -10.796 -5.178 670 HD11 LEU 92 HD11 LEU 92 10.328 -9.787 -3.191 671 HD12 LEU 92 HD12 LEU 92 8.862 -8.841 -2.939 672 HD13 LEU 92 HD13 LEU 92 9.704 -8.766 -4.486 673 HD21 LEU 92 HD21 LEU 92 8.281 -12.642 -3.739 674 HD22 LEU 92 HD22 LEU 92 8.467 -11.620 -2.312 675 HD23 LEU 92 HD23 LEU 92 9.875 -12.040 -3.288 676 H GLN 93 H GLN 93 5.518 -10.418 -6.857 677 HA GLN 93 HA GLN 93 7.606 -10.952 -8.663 678 HB2 GLN 93 HB2 GLN 93 4.604 -10.934 -9.012 679 HB3 GLN 93 HB3 GLN 93 5.716 -11.505 -10.250 680 HG2 GLN 93 HG2 GLN 93 6.483 -13.275 -8.855 681 HG3 GLN 93 HG3 GLN 93 5.614 -12.631 -7.464 682 HE21 GLN 93 HE21 GLN 93 3.499 -13.105 -7.194 683 HE22 GLN 93 HE22 GLN 93 2.604 -14.155 -8.236 684 H VAL 94 H VAL 94 5.103 -8.444 -8.669 685 HA VAL 94 HA VAL 94 5.915 -7.215 -11.112 686 HB VAL 94 HB VAL 94 4.290 -6.126 -8.801 687 HG11 VAL 94 HG11 VAL 94 4.218 -4.978 -11.559 688 HG12 VAL 94 HG12 VAL 94 5.468 -4.466 -10.425 689 HG13 VAL 94 HG13 VAL 94 3.765 -4.239 -10.024 690 HG21 VAL 94 HG21 VAL 94 3.641 -7.688 -11.239 691 HG22 VAL 94 HG22 VAL 94 2.505 -6.434 -10.743 692 HG23 VAL 94 HG23 VAL 94 2.916 -7.740 -9.630 693 H LEU 95 H LEU 95 6.584 -6.713 -7.716 694 HA LEU 95 HA LEU 95 8.042 -4.331 -7.835 695 HB2 LEU 95 HB2 LEU 95 7.145 -5.376 -5.784 696 HB3 LEU 95 HB3 LEU 95 8.342 -6.648 -5.925 697 HG LEU 95 HG LEU 95 10.128 -4.947 -5.647 698 HD11 LEU 95 HD11 LEU 95 7.757 -3.175 -5.639 699 HD12 LEU 95 HD12 LEU 95 9.389 -2.887 -6.239 700 HD13 LEU 95 HD13 LEU 95 9.055 -2.788 -4.511 701 HD21 LEU 95 HD21 LEU 95 8.364 -4.587 -3.293 702 HD22 LEU 95 HD22 LEU 95 10.046 -5.106 -3.383 703 HD23 LEU 95 HD23 LEU 95 8.754 -6.240 -3.764 704 H GLN 96 H GLN 96 9.081 -7.704 -8.143 705 HA GLN 96 HA GLN 96 11.852 -7.252 -8.184 706 HB2 GLN 96 HB2 GLN 96 10.172 -9.444 -9.406 707 HB3 GLN 96 HB3 GLN 96 11.930 -9.450 -9.455 708 HG2 GLN 96 HG2 GLN 96 12.065 -9.569 -7.075 709 HG3 GLN 96 HG3 GLN 96 10.325 -9.322 -6.915 710 HE21 GLN 96 HE21 GLN 96 12.015 -11.512 -5.966 711 HE22 GLN 96 HE22 GLN 96 11.354 -12.953 -6.652 712 H GLU 97 H GLU 97 9.444 -7.186 -10.775 713 HA GLU 97 HA GLU 97 11.251 -6.968 -12.928 714 HB2 GLU 97 HB2 GLU 97 8.793 -7.470 -13.134 715 HB3 GLU 97 HB3 GLU 97 8.461 -5.778 -12.773 716 HG2 GLU 97 HG2 GLU 97 9.602 -5.080 -14.776 717 HG3 GLU 97 HG3 GLU 97 10.078 -6.739 -15.122 718 H MET 98 H MET 98 9.688 -4.539 -10.875 719 HA MET 98 HA MET 98 10.811 -2.298 -12.230 720 HB2 MET 98 HB2 MET 98 8.756 -2.156 -10.862 721 HB3 MET 98 HB3 MET 98 9.719 -2.437 -9.418 722 HG2 MET 98 HG2 MET 98 9.161 -0.064 -9.765 723 HG3 MET 98 HG3 MET 98 10.900 -0.369 -9.736 724 HE1 MET 98 HE1 MET 98 8.463 -0.561 -13.348 725 HE2 MET 98 HE2 MET 98 8.147 1.109 -12.877 726 HE3 MET 98 HE3 MET 98 7.828 -0.202 -11.742 727 H GLY 99 H GLY 99 11.786 -4.166 -9.384 728 HA2 GLY 99 HA2 GLY 99 13.953 -4.446 -8.580 729 HA3 GLY 99 HA3 GLY 99 14.514 -3.265 -9.750 730 H HIS 100 H HIS 100 12.005 -2.828 -7.271 731 HA HIS 100 HA HIS 100 13.253 -0.396 -6.396 732 HB2 HIS 100 HB2 HIS 100 10.781 -0.733 -6.450 733 HB3 HIS 100 HB3 HIS 100 10.944 -1.883 -5.130 734 HD2 HIS 100 HD2 HIS 100 13.241 0.958 -4.351 735 HE1 HIS 100 HE1 HIS 100 9.583 1.988 -2.538 736 H ARG 101 H ARG 101 14.975 -0.390 -5.195 737 HA ARG 101 HA ARG 101 15.968 -2.526 -3.668 738 HB2 ARG 101 HB2 ARG 101 16.623 0.406 -3.804 739 HB3 ARG 101 HB3 ARG 101 17.541 -0.721 -2.802 740 HG2 ARG 101 HG2 ARG 101 18.116 -2.020 -4.794 741 HG3 ARG 101 HG3 ARG 101 17.193 -0.896 -5.791 742 HD2 ARG 101 HD2 ARG 101 18.682 0.923 -5.120 743 HD3 ARG 101 HD3 ARG 101 19.597 -0.193 -4.109 744 HE ARG 101 HE ARG 101 19.538 -1.193 -6.729 745 HH11 ARG 101 HH11 ARG 101 21.345 -0.973 -8.099 746 HH12 ARG 101 HH12 ARG 101 22.523 0.253 -7.768 747 HH21 ARG 101 HH21 ARG 101 20.886 1.460 -4.921 748 HH22 ARG 101 HH22 ARG 101 22.263 1.639 -5.955 749 H ARG 102 H ARG 102 14.271 0.434 -2.633 750 HA ARG 102 HA ARG 102 14.620 -0.063 0.142 751 HB2 ARG 102 HB2 ARG 102 14.200 2.187 -0.720 752 HB3 ARG 102 HB3 ARG 102 12.595 1.697 -1.244 753 HG2 ARG 102 HG2 ARG 102 12.403 2.925 0.806 754 HG3 ARG 102 HG3 ARG 102 12.011 1.230 1.117 755 HD2 ARG 102 HD2 ARG 102 13.406 2.092 2.896 756 HD3 ARG 102 HD3 ARG 102 14.294 0.881 1.971 757 HE ARG 102 HE ARG 102 14.810 3.494 0.989 758 HH11 ARG 102 HH11 ARG 102 16.836 4.457 1.409 759 HH12 ARG 102 HH12 ARG 102 17.833 3.830 2.678 760 HH21 ARG 102 HH21 ARG 102 15.573 1.319 3.599 761 HH22 ARG 102 HH22 ARG 102 17.113 2.040 3.928 762 H ALA 103 H ALA 103 12.045 -0.836 -2.128 763 HA ALA 103 HA ALA 103 10.067 -1.561 -0.279 764 HB1 ALA 103 HB1 ALA 103 9.850 -1.224 -2.790 765 HB2 ALA 103 HB2 ALA 103 8.901 -2.517 -2.055 766 HB3 ALA 103 HB3 ALA 103 10.379 -2.900 -2.939 767 H ILE 104 H ILE 104 12.634 -3.557 -1.755 768 HA ILE 104 HA ILE 104 11.678 -5.959 -0.558 769 HB ILE 104 HB ILE 104 13.828 -6.963 -1.183 770 HG12 ILE 104 HG12 ILE 104 14.592 -4.237 -2.247 771 HG13 ILE 104 HG13 ILE 104 15.205 -4.903 -0.738 772 HG21 ILE 104 HG21 ILE 104 13.577 -6.761 -3.577 773 HG22 ILE 104 HG22 ILE 104 12.691 -5.247 -3.386 774 HG23 ILE 104 HG23 ILE 104 11.988 -6.759 -2.811 775 HD11 ILE 104 HD11 ILE 104 16.811 -5.202 -2.515 776 HD12 ILE 104 HD12 ILE 104 15.612 -6.055 -3.486 777 HD13 ILE 104 HD13 ILE 104 16.197 -6.767 -1.982 778 H HIS 105 H HIS 105 13.733 -3.380 0.505 779 HA HIS 105 HA HIS 105 15.042 -4.685 2.631 780 HB2 HIS 105 HB2 HIS 105 15.778 -2.517 1.765 781 HB3 HIS 105 HB3 HIS 105 14.280 -1.772 2.308 782 HD2 HIS 105 HD2 HIS 105 14.416 -0.686 4.764 783 HE1 HIS 105 HE1 HIS 105 17.938 -2.578 6.098 784 H LEU 106 H LEU 106 12.043 -2.733 2.587 785 HA LEU 106 HA LEU 106 11.529 -3.362 5.366 786 HB2 LEU 106 HB2 LEU 106 10.979 -1.159 4.123 787 HB3 LEU 106 HB3 LEU 106 9.548 -2.010 3.567 788 HG LEU 106 HG LEU 106 8.952 -2.439 5.965 789 HD11 LEU 106 HD11 LEU 106 11.557 -1.260 6.346 790 HD12 LEU 106 HD12 LEU 106 10.528 -2.117 7.495 791 HD13 LEU 106 HD13 LEU 106 10.321 -0.383 7.247 792 HD21 LEU 106 HD21 LEU 106 7.630 -0.745 5.316 793 HD22 LEU 106 HD22 LEU 106 8.966 0.165 4.605 794 HD23 LEU 106 HD23 LEU 106 8.680 0.227 6.345 795 H ILE 107 H ILE 107 10.593 -4.693 2.312 796 HA ILE 107 HA ILE 107 8.125 -5.843 3.009 797 HB ILE 107 HB ILE 107 9.275 -5.651 0.678 798 HG12 ILE 107 HG12 ILE 107 7.798 -8.218 1.236 799 HG13 ILE 107 HG13 ILE 107 7.006 -6.644 1.268 800 HG21 ILE 107 HG21 ILE 107 10.169 -8.424 1.459 801 HG22 ILE 107 HG22 ILE 107 11.234 -7.034 1.262 802 HG23 ILE 107 HG23 ILE 107 10.345 -7.668 -0.125 803 HD11 ILE 107 HD11 ILE 107 8.318 -6.601 -1.136 804 HD12 ILE 107 HD12 ILE 107 6.617 -6.994 -0.895 805 HD13 ILE 107 HD13 ILE 107 7.815 -8.284 -0.994 806 H THR 108 H THR 108 11.325 -6.665 3.875 807 HA THR 108 HA THR 108 11.109 -9.402 4.442 808 HB THR 108 HB THR 108 12.844 -7.342 5.832 809 HG1 THR 108 HG1 THR 108 13.577 -7.227 3.816 810 HG21 THR 108 HG21 THR 108 13.705 -10.156 5.424 811 HG22 THR 108 HG22 THR 108 12.512 -9.851 6.688 812 HG23 THR 108 HG23 THR 108 14.079 -9.040 6.736 813 H ASN 109 H ASN 109 9.914 -6.611 6.133 814 HA ASN 109 HA ASN 109 9.723 -7.793 8.721 815 HB2 ASN 109 HB2 ASN 109 8.439 -5.369 7.488 816 HB3 ASN 109 HB3 ASN 109 8.078 -5.879 9.133 817 HD21 ASN 109 HD21 ASN 109 9.158 -3.419 8.625 818 HD22 ASN 109 HD22 ASN 109 10.780 -3.364 9.215 819 H TYR 110 H TYR 110 7.848 -8.290 5.910 820 HA TYR 110 HA TYR 110 5.337 -8.780 7.177 821 HB2 TYR 110 HB2 TYR 110 5.312 -8.341 4.823 822 HB3 TYR 110 HB3 TYR 110 6.461 -9.636 4.505 823 HD1 TYR 110 HD1 TYR 110 2.965 -9.005 5.678 824 HD2 TYR 110 HD2 TYR 110 5.721 -11.790 3.998 825 HE1 TYR 110 HE1 TYR 110 1.128 -10.578 5.274 826 HE2 TYR 110 HE2 TYR 110 3.878 -13.362 3.585 827 HH TYR 110 HH TYR 110 1.334 -13.596 4.890 828 H GLY 111 H GLY 111 4.672 -10.500 8.308 829 HA2 GLY 111 HA2 GLY 111 5.905 -13.104 7.878 830 HA3 GLY 111 HA3 GLY 111 6.122 -12.398 9.471 831 H ALA 112 H ALA 112 3.270 -12.275 7.364 832 HA ALA 112 HA ALA 112 1.738 -13.494 9.556 833 HB1 ALA 112 HB1 ALA 112 1.178 -11.168 8.558 834 HB2 ALA 112 HB2 ALA 112 -0.132 -12.304 8.875 835 HB3 ALA 112 HB3 ALA 112 0.473 -12.095 7.233 836 H VAL 113 H VAL 113 0.776 -15.419 9.306 837 HA VAL 113 HA VAL 113 0.911 -16.672 6.648 838 HB VAL 113 HB VAL 113 0.736 -18.845 7.875 839 HG11 VAL 113 HG11 VAL 113 3.020 -16.957 8.224 840 HG12 VAL 113 HG12 VAL 113 2.903 -18.413 7.238 841 HG13 VAL 113 HG13 VAL 113 3.089 -18.545 8.986 842 HG21 VAL 113 HG21 VAL 113 0.875 -19.002 10.203 843 HG22 VAL 113 HG22 VAL 113 -0.276 -17.692 9.941 844 HG23 VAL 113 HG23 VAL 113 1.391 -17.325 10.380 845 H LEU 114 H LEU 114 -1.266 -15.090 8.428 846 HA LEU 114 HA LEU 114 -3.476 -16.923 7.790 847 HB2 LEU 114 HB2 LEU 114 -3.335 -16.331 10.151 848 HB3 LEU 114 HB3 LEU 114 -3.361 -14.627 9.747 849 HG LEU 114 HG LEU 114 -5.660 -14.883 8.872 850 HD11 LEU 114 HD11 LEU 114 -5.043 -17.703 9.293 851 HD12 LEU 114 HD12 LEU 114 -6.259 -16.947 8.262 852 HD13 LEU 114 HD13 LEU 114 -6.595 -17.213 9.973 853 HD21 LEU 114 HD21 LEU 114 -5.204 -14.215 11.216 854 HD22 LEU 114 HD22 LEU 114 -5.369 -15.906 11.692 855 HD23 LEU 114 HD23 LEU 114 -6.747 -15.044 11.009 856 H SER 115 H SER 115 -4.682 -16.430 6.093 857 HA SER 115 HA SER 115 -5.018 -13.608 5.346 858 HB2 SER 115 HB2 SER 115 -4.469 -15.918 3.459 859 HB3 SER 115 HB3 SER 115 -4.910 -14.287 2.950 860 HG SER 115 HG SER 115 -2.838 -14.241 4.692 861 HA PRO 116 HA PRO 116 -9.321 -14.638 5.276 862 HB2 PRO 116 HB2 PRO 116 -10.276 -12.806 3.518 863 HB3 PRO 116 HB3 PRO 116 -9.738 -12.377 5.148 864 HG2 PRO 116 HG2 PRO 116 -8.264 -12.148 2.547 865 HG3 PRO 116 HG3 PRO 116 -8.384 -10.971 3.869 866 HD2 PRO 116 HD2 PRO 116 -6.226 -12.567 3.553 867 HD3 PRO 116 HD3 PRO 116 -6.804 -12.066 5.154 868 H SER 117 H SER 117 -10.762 -15.901 4.160 869 HA SER 117 HA SER 117 -9.851 -16.921 1.578 870 HB2 SER 117 HB2 SER 117 -11.443 -18.767 1.994 871 HB3 SER 117 HB3 SER 117 -10.296 -18.576 3.320 872 HG SER 117 HG SER 117 -12.739 -18.773 3.715 873 H GLU 118 H GLU 118 -11.957 -14.627 2.712 874 HA GLU 118 HA GLU 118 -13.473 -14.680 0.206 875 HB2 GLU 118 HB2 GLU 118 -14.896 -15.691 1.960 876 HB3 GLU 118 HB3 GLU 118 -14.709 -14.240 2.934 877 HG2 GLU 118 HG2 GLU 118 -15.864 -12.930 1.241 878 HG3 GLU 118 HG3 GLU 118 -16.019 -14.362 0.226 879 H LYS 119 H LYS 119 -13.715 -12.700 -0.713 880 HA LYS 119 HA LYS 119 -12.236 -10.509 0.364 881 HB2 LYS 119 HB2 LYS 119 -14.082 -10.707 -2.023 882 HB3 LYS 119 HB3 LYS 119 -13.136 -9.278 -1.630 883 HG2 LYS 119 HG2 LYS 119 -11.076 -10.625 -1.838 884 HG3 LYS 119 HG3 LYS 119 -12.061 -12.003 -2.329 885 HD2 LYS 119 HD2 LYS 119 -12.063 -9.355 -3.768 886 HD3 LYS 119 HD3 LYS 119 -11.020 -10.707 -4.214 887 HE2 LYS 119 HE2 LYS 119 -13.033 -12.107 -4.527 888 HE3 LYS 119 HE3 LYS 119 -14.037 -10.701 -4.172 889 HZ1 LYS 119 HZ1 LYS 119 -13.945 -10.772 -6.476 890 HZ2 LYS 119 HZ2 LYS 119 -12.306 -11.184 -6.515 891 HZ3 LYS 119 HZ3 LYS 119 -12.772 -9.614 -6.089 892 H SER 120 H SER 120 -12.930 -8.713 1.401 893 HA SER 120 HA SER 120 -15.818 -8.327 1.753 894 HB2 SER 120 HB2 SER 120 -13.757 -8.273 3.977 895 HB3 SER 120 HB3 SER 120 -15.454 -7.819 4.152 896 HG SER 120 HG SER 120 -15.005 -10.303 3.030 897 H TYR 121 H TYR 121 -16.427 -6.145 2.265 898 HA TYR 121 HA TYR 121 -14.373 -4.194 1.468 899 HB2 TYR 121 HB2 TYR 121 -17.388 -4.042 1.233 900 HB3 TYR 121 HB3 TYR 121 -16.290 -2.731 0.820 901 HD1 TYR 121 HD1 TYR 121 -17.702 -5.914 -0.235 902 HD2 TYR 121 HD2 TYR 121 -14.800 -2.934 -1.145 903 HE1 TYR 121 HE1 TYR 121 -17.494 -6.817 -2.514 904 HE2 TYR 121 HE2 TYR 121 -14.588 -3.829 -3.422 905 HH TYR 121 HH TYR 121 -16.509 -5.410 -4.966 906 H GLN 122 H GLN 122 -13.764 -2.684 2.892 907 HA GLN 122 HA GLN 122 -15.487 -2.181 5.221 908 HB2 GLN 122 HB2 GLN 122 -13.564 -3.710 5.765 909 HB3 GLN 122 HB3 GLN 122 -12.470 -2.408 5.322 910 HG2 GLN 122 HG2 GLN 122 -12.713 -2.515 7.715 911 HG3 GLN 122 HG3 GLN 122 -13.420 -1.023 7.108 912 HE21 GLN 122 HE21 GLN 122 -15.178 -0.514 8.203 913 HE22 GLN 122 HE22 GLN 122 -16.383 -1.617 8.762 914 H GLU 123 H GLU 123 -15.882 -0.088 5.556 915 HA GLU 123 HA GLU 123 -15.903 2.170 5.320 916 HB2 GLU 123 HB2 GLU 123 -12.903 1.860 5.093 917 HB3 GLU 123 HB3 GLU 123 -13.761 3.352 5.451 918 HG2 GLU 123 HG2 GLU 123 -13.781 0.895 7.186 919 HG3 GLU 123 HG3 GLU 123 -12.765 2.309 7.442 920 H GLY 124 H GLY 124 -16.376 0.726 2.956 921 HA2 GLY 124 HA2 GLY 124 -16.394 2.668 1.020 922 HA3 GLY 124 HA3 GLY 124 -14.869 1.826 0.785 Start of MODEL 7 1 H1 SER 1 HT1 SER 1 32.106 26.570 -3.647 2 H2 SER 1 HT2 SER 1 33.656 25.898 -3.580 3 H3 SER 1 HT3 SER 1 33.352 27.396 -2.854 4 HA SER 1 HA SER 1 32.240 24.776 -2.021 5 HB2 SER 1 HB2 SER 1 33.681 26.205 0.018 6 HB3 SER 1 HB3 SER 1 34.020 24.611 -0.663 7 HG SER 1 HG SER 1 34.716 26.481 -2.433 8 H GLU 2 H GLU 2 31.490 27.920 -2.468 9 HA GLU 2 HA GLU 2 30.325 28.715 -0.026 10 HB2 GLU 2 HB2 GLU 2 29.773 29.535 -2.878 11 HB3 GLU 2 HB3 GLU 2 28.973 30.277 -1.498 12 HG2 GLU 2 HG2 GLU 2 31.053 31.102 -0.651 13 HG3 GLU 2 HG3 GLU 2 31.958 30.205 -1.867 14 H PHE 3 H PHE 3 29.052 26.907 -2.770 15 HA PHE 3 HA PHE 3 26.654 26.309 -1.172 16 HB2 PHE 3 HB2 PHE 3 26.788 26.706 -4.173 17 HB3 PHE 3 HB3 PHE 3 25.365 26.172 -3.288 18 HD1 PHE 3 HD1 PHE 3 27.350 28.988 -4.338 19 HD2 PHE 3 HD2 PHE 3 24.272 27.737 -1.677 20 HE1 PHE 3 HE1 PHE 3 26.687 31.335 -4.008 21 HE2 PHE 3 HE2 PHE 3 23.604 30.081 -1.343 22 HZ PHE 3 HZ PHE 3 24.811 31.884 -2.508 23 H GLY 4 H GLY 4 25.822 24.197 -1.354 24 HA2 GLY 4 HA2 GLY 4 27.256 22.278 -3.008 25 HA3 GLY 4 HA3 GLY 4 27.418 22.068 -1.270 26 H SER 5 H SER 5 26.331 20.087 -2.851 27 HA SER 5 HA SER 5 23.479 20.213 -2.909 28 HB2 SER 5 HB2 SER 5 23.583 17.886 -3.596 29 HB3 SER 5 HB3 SER 5 24.828 18.796 -4.448 30 HG SER 5 HG SER 5 25.621 17.695 -2.043 31 H MET 6 H MET 6 22.062 18.717 -1.729 32 HA MET 6 HA MET 6 23.056 18.108 0.974 33 HB2 MET 6 HB2 MET 6 20.403 19.331 0.198 34 HB3 MET 6 HB3 MET 6 20.742 18.675 1.793 35 HG2 MET 6 HG2 MET 6 22.470 20.316 2.149 36 HG3 MET 6 HG3 MET 6 22.282 20.916 0.503 37 HE1 MET 6 HE1 MET 6 19.168 20.256 3.306 38 HE2 MET 6 HE2 MET 6 19.769 21.666 4.175 39 HE3 MET 6 HE3 MET 6 20.844 20.306 3.852 40 H ALA 7 H ALA 7 22.196 16.257 1.965 41 HA ALA 7 HA ALA 7 20.316 14.617 0.468 42 HB1 ALA 7 HB1 ALA 7 23.064 13.595 1.186 43 HB2 ALA 7 HB2 ALA 7 22.511 13.989 -0.442 44 HB3 ALA 7 HB3 ALA 7 21.765 12.661 0.447 45 H GLY 8 H GLY 8 19.483 12.821 1.716 46 HA2 GLY 8 HA2 GLY 8 20.206 12.481 4.462 47 HA3 GLY 8 HA3 GLY 8 18.732 13.426 4.288 48 H ASN 9 H ASN 9 18.394 11.190 5.637 49 HA ASN 9 HA ASN 9 17.405 9.196 3.713 50 HB2 ASN 9 HB2 ASN 9 18.012 8.865 6.663 51 HB3 ASN 9 HB3 ASN 9 17.433 7.595 5.590 52 HD21 ASN 9 HD21 ASN 9 18.869 7.541 3.476 53 HD22 ASN 9 HD22 ASN 9 20.564 7.450 3.791 54 H CYS 10 H CYS 10 15.283 8.618 3.686 55 HA CYS 10 HA CYS 10 13.508 9.939 5.628 56 HB2 CYS 10 HB2 CYS 10 13.357 11.051 3.441 57 HB3 CYS 10 HB3 CYS 10 12.995 9.508 2.675 58 HG CYS 10 HG CYS 10 10.496 10.174 2.704 59 H GLY 11 H GLY 11 12.199 8.596 6.712 60 HA2 GLY 11 HA2 GLY 11 11.390 6.071 5.474 61 HA3 GLY 11 HA3 GLY 11 12.272 5.985 6.994 62 H ALA 12 H ALA 12 9.619 5.024 6.547 63 HA ALA 12 HA ALA 12 8.274 6.451 8.683 64 HB1 ALA 12 HB1 ALA 12 7.240 7.724 7.069 65 HB2 ALA 12 HB2 ALA 12 6.118 6.369 7.192 66 HB3 ALA 12 HB3 ALA 12 7.281 6.432 5.869 67 H ARG 13 H ARG 13 6.441 5.270 9.530 68 HA ARG 13 HA ARG 13 5.371 3.423 10.279 69 HB2 ARG 13 HB2 ARG 13 5.419 3.159 7.474 70 HB3 ARG 13 HB3 ARG 13 5.827 1.575 8.114 71 HG2 ARG 13 HG2 ARG 13 3.717 1.186 8.686 72 HG3 ARG 13 HG3 ARG 13 3.599 2.722 9.547 73 HD2 ARG 13 HD2 ARG 13 3.548 2.789 6.578 74 HD3 ARG 13 HD3 ARG 13 2.120 2.173 7.409 75 HE ARG 13 HE ARG 13 2.766 4.539 8.666 76 HH11 ARG 13 HH11 ARG 13 1.744 6.511 8.163 77 HH12 ARG 13 HH12 ARG 13 1.038 6.734 6.596 78 HH21 ARG 13 HH21 ARG 13 1.914 3.550 5.434 79 HH22 ARG 13 HH22 ARG 13 1.133 5.046 5.043 80 H GLY 14 H GLY 14 5.947 0.653 9.741 81 HA2 GLY 14 HA2 GLY 14 7.605 -0.977 10.108 82 HA3 GLY 14 HA3 GLY 14 8.733 0.304 10.535 83 H ALA 15 H ALA 15 8.971 -1.635 12.172 84 HA ALA 15 HA ALA 15 8.975 -2.267 14.345 85 HB1 ALA 15 HB1 ALA 15 9.387 -0.153 15.157 86 HB2 ALA 15 HB2 ALA 15 7.890 -0.564 15.995 87 HB3 ALA 15 HB3 ALA 15 7.848 0.489 14.581 88 H LEU 16 H LEU 16 5.929 -0.562 14.784 89 HA LEU 16 HA LEU 16 4.622 -3.175 15.156 90 HB2 LEU 16 HB2 LEU 16 4.699 -1.795 17.175 91 HB3 LEU 16 HB3 LEU 16 3.930 -0.473 16.322 92 HG LEU 16 HG LEU 16 1.889 -1.849 16.062 93 HD11 LEU 16 HD11 LEU 16 3.658 -3.897 17.191 94 HD12 LEU 16 HD12 LEU 16 2.225 -4.062 16.175 95 HD13 LEU 16 HD13 LEU 16 2.052 -3.828 17.916 96 HD21 LEU 16 HD21 LEU 16 1.182 -1.730 18.398 97 HD22 LEU 16 HD22 LEU 16 2.099 -0.297 17.931 98 HD23 LEU 16 HD23 LEU 16 2.863 -1.556 18.901 99 H SER 17 H SER 17 3.076 -3.741 13.752 100 HA SER 17 HA SER 17 2.357 -1.983 11.607 101 HB2 SER 17 HB2 SER 17 0.784 -4.002 11.099 102 HB3 SER 17 HB3 SER 17 2.533 -4.213 10.957 103 HG SER 17 HG SER 17 0.772 -5.423 12.641 104 H ALA 18 H ALA 18 0.984 -0.363 11.942 105 HA ALA 18 HA ALA 18 -1.220 -0.618 13.825 106 HB1 ALA 18 HB1 ALA 18 0.175 1.435 13.751 107 HB2 ALA 18 HB2 ALA 18 -1.545 1.745 13.519 108 HB3 ALA 18 HB3 ALA 18 -0.453 1.759 12.134 109 H HIS 19 H HIS 19 -0.686 -1.274 10.628 110 HA HIS 19 HA HIS 19 -3.437 -0.694 9.803 111 HB2 HIS 19 HB2 HIS 19 -0.980 -1.360 8.174 112 HB3 HIS 19 HB3 HIS 19 -2.594 -1.193 7.492 113 HD2 HIS 19 HD2 HIS 19 -3.429 1.368 7.041 114 HE1 HIS 19 HE1 HIS 19 -0.029 3.327 8.579 115 H THR 20 H THR 20 -2.459 -3.008 11.517 116 HA THR 20 HA THR 20 -2.642 -5.363 9.925 117 HB THR 20 HB THR 20 -3.108 -5.107 12.904 118 HG1 THR 20 HG1 THR 20 -1.065 -4.482 12.824 119 HG21 THR 20 HG21 THR 20 -2.721 -7.401 13.068 120 HG22 THR 20 HG22 THR 20 -1.958 -7.486 11.480 121 HG23 THR 20 HG23 THR 20 -3.705 -7.275 11.608 122 H LEU 21 H LEU 21 -4.403 -6.182 9.002 123 HA LEU 21 HA LEU 21 -6.841 -6.618 10.393 124 HB2 LEU 21 HB2 LEU 21 -6.646 -4.114 9.149 125 HB3 LEU 21 HB3 LEU 21 -7.621 -5.088 8.067 126 HG LEU 21 HG LEU 21 -8.453 -5.332 10.857 127 HD11 LEU 21 HD11 LEU 21 -8.488 -2.635 9.521 128 HD12 LEU 21 HD12 LEU 21 -7.774 -3.061 11.078 129 HD13 LEU 21 HD13 LEU 21 -9.526 -3.074 10.878 130 HD21 LEU 21 HD21 LEU 21 -10.652 -4.879 9.837 131 HD22 LEU 21 HD22 LEU 21 -9.783 -6.179 9.023 132 HD23 LEU 21 HD23 LEU 21 -9.853 -4.574 8.294 133 H LEU 22 H LEU 22 -8.445 -7.761 8.989 134 HA LEU 22 HA LEU 22 -7.163 -9.745 7.447 135 HB2 LEU 22 HB2 LEU 22 -9.200 -10.183 8.680 136 HB3 LEU 22 HB3 LEU 22 -10.085 -9.045 7.684 137 HG LEU 22 HG LEU 22 -9.720 -10.506 5.720 138 HD11 LEU 22 HD11 LEU 22 -9.028 -12.902 6.311 139 HD12 LEU 22 HD12 LEU 22 -8.313 -12.195 7.761 140 HD13 LEU 22 HD13 LEU 22 -7.758 -11.688 6.163 141 HD21 LEU 22 HD21 LEU 22 -11.795 -10.726 6.864 142 HD22 LEU 22 HD22 LEU 22 -11.061 -11.706 8.134 143 HD23 LEU 22 HD23 LEU 22 -11.221 -12.354 6.502 144 H PHE 23 H PHE 23 -9.330 -7.093 6.367 145 HA PHE 23 HA PHE 23 -8.909 -7.788 3.591 146 HB2 PHE 23 HB2 PHE 23 -10.374 -5.497 4.910 147 HB3 PHE 23 HB3 PHE 23 -10.267 -5.702 3.163 148 HD1 PHE 23 HD1 PHE 23 -11.828 -6.855 6.233 149 HD2 PHE 23 HD2 PHE 23 -11.374 -7.595 2.064 150 HE1 PHE 23 HE1 PHE 23 -13.789 -8.338 6.285 151 HE2 PHE 23 HE2 PHE 23 -13.336 -9.078 2.111 152 HZ PHE 23 HZ PHE 23 -14.545 -9.451 4.224 153 H ASP 24 H ASP 24 -7.789 -5.380 5.829 154 HA ASP 24 HA ASP 24 -5.954 -4.340 3.791 155 HB2 ASP 24 HB2 ASP 24 -5.712 -2.359 5.433 156 HB3 ASP 24 HB3 ASP 24 -7.153 -2.441 4.428 157 H LEU 25 H LEU 25 -4.765 -6.306 4.329 158 HA LEU 25 HA LEU 25 -3.633 -7.056 6.692 159 HB2 LEU 25 HB2 LEU 25 -2.329 -7.008 3.968 160 HB3 LEU 25 HB3 LEU 25 -1.743 -7.932 5.338 161 HG LEU 25 HG LEU 25 -4.443 -8.325 4.053 162 HD11 LEU 25 HD11 LEU 25 -1.877 -9.854 3.701 163 HD12 LEU 25 HD12 LEU 25 -2.758 -8.948 2.470 164 HD13 LEU 25 HD13 LEU 25 -3.459 -10.412 3.160 165 HD21 LEU 25 HD21 LEU 25 -3.869 -10.618 5.363 166 HD22 LEU 25 HD22 LEU 25 -4.830 -9.302 6.041 167 HD23 LEU 25 HD23 LEU 25 -3.114 -9.433 6.428 168 HA PRO 26 HA PRO 26 -0.784 -4.256 8.581 169 HB2 PRO 26 HB2 PRO 26 1.580 -5.809 8.003 170 HB3 PRO 26 HB3 PRO 26 0.728 -5.624 9.534 171 HG2 PRO 26 HG2 PRO 26 0.555 -7.781 7.541 172 HG3 PRO 26 HG3 PRO 26 0.130 -7.801 9.262 173 HD2 PRO 26 HD2 PRO 26 -1.738 -7.883 7.331 174 HD3 PRO 26 HD3 PRO 26 -2.015 -7.031 8.863 175 HA PRO 27 HA PRO 27 1.168 -1.376 5.919 176 HB2 PRO 27 HB2 PRO 27 3.678 -1.782 7.474 177 HB3 PRO 27 HB3 PRO 27 2.863 -0.279 7.005 178 HG2 PRO 27 HG2 PRO 27 2.635 -1.207 9.468 179 HG3 PRO 27 HG3 PRO 27 1.240 -0.493 8.639 180 HD2 PRO 27 HD2 PRO 27 1.845 -3.362 9.203 181 HD3 PRO 27 HD3 PRO 27 0.282 -2.526 9.145 182 H ALA 28 H ALA 28 2.451 -4.524 6.125 183 HA ALA 28 HA ALA 28 4.744 -4.410 4.570 184 HB1 ALA 28 HB1 ALA 28 3.735 -6.779 3.808 185 HB2 ALA 28 HB2 ALA 28 2.729 -6.473 5.223 186 HB3 ALA 28 HB3 ALA 28 4.485 -6.511 5.381 187 H LEU 29 H LEU 29 1.328 -4.388 3.582 188 HA LEU 29 HA LEU 29 2.259 -4.128 0.805 189 HB2 LEU 29 HB2 LEU 29 0.437 -5.874 1.736 190 HB3 LEU 29 HB3 LEU 29 -0.618 -4.539 1.303 191 HG LEU 29 HG LEU 29 0.214 -4.575 -0.982 192 HD11 LEU 29 HD11 LEU 29 1.606 -6.959 -1.215 193 HD12 LEU 29 HD12 LEU 29 2.291 -6.203 0.224 194 HD13 LEU 29 HD13 LEU 29 2.284 -5.335 -1.311 195 HD21 LEU 29 HD21 LEU 29 -0.308 -7.314 -1.110 196 HD22 LEU 29 HD22 LEU 29 -1.462 -5.994 -1.288 197 HD23 LEU 29 HD23 LEU 29 -1.201 -6.730 0.294 198 H LEU 30 H LEU 30 -0.798 -3.031 2.291 199 HA LEU 30 HA LEU 30 -0.992 -0.738 0.684 200 HB2 LEU 30 HB2 LEU 30 -2.922 -1.779 1.791 201 HB3 LEU 30 HB3 LEU 30 -2.284 -1.314 3.355 202 HG LEU 30 HG LEU 30 -2.552 1.068 2.720 203 HD11 LEU 30 HD11 LEU 30 -4.163 1.438 0.761 204 HD12 LEU 30 HD12 LEU 30 -3.635 -0.154 0.215 205 HD13 LEU 30 HD13 LEU 30 -2.460 1.148 0.402 206 HD21 LEU 30 HD21 LEU 30 -5.270 0.329 2.294 207 HD22 LEU 30 HD22 LEU 30 -4.500 0.919 3.767 208 HD23 LEU 30 HD23 LEU 30 -4.536 -0.810 3.424 209 H GLY 31 H GLY 31 0.090 -0.995 4.088 210 HA2 GLY 31 HA2 GLY 31 0.376 1.760 4.538 211 HA3 GLY 31 HA3 GLY 31 1.212 0.500 5.422 212 H GLU 32 H GLU 32 2.906 -0.578 3.639 213 HA GLU 32 HA GLU 32 4.952 1.381 3.492 214 HB2 GLU 32 HB2 GLU 32 5.359 -0.987 3.965 215 HB3 GLU 32 HB3 GLU 32 4.838 -1.407 2.340 216 HG2 GLU 32 HG2 GLU 32 7.188 -1.466 2.319 217 HG3 GLU 32 HG3 GLU 32 6.727 0.009 1.474 218 H LEU 33 H LEU 33 2.964 -0.193 0.979 219 HA LEU 33 HA LEU 33 4.378 0.982 -1.175 220 HB2 LEU 33 HB2 LEU 33 1.589 -0.181 -1.069 221 HB3 LEU 33 HB3 LEU 33 2.370 0.384 -2.543 222 HG LEU 33 HG LEU 33 3.451 -1.824 -0.790 223 HD11 LEU 33 HD11 LEU 33 2.670 -3.362 -2.477 224 HD12 LEU 33 HD12 LEU 33 2.004 -2.033 -3.424 225 HD13 LEU 33 HD13 LEU 33 1.312 -2.427 -1.851 226 HD21 LEU 33 HD21 LEU 33 5.318 -1.198 -1.904 227 HD22 LEU 33 HD22 LEU 33 4.417 -0.428 -3.209 228 HD23 LEU 33 HD23 LEU 33 4.599 -2.182 -3.178 229 H CYS 34 H CYS 34 1.507 2.061 0.631 230 HA CYS 34 HA CYS 34 0.992 4.231 -1.145 231 HB2 CYS 34 HB2 CYS 34 -0.637 4.987 0.416 232 HB3 CYS 34 HB3 CYS 34 -0.703 3.228 0.425 233 HG CYS 34 HG CYS 34 1.018 3.185 2.796 234 H ALA 35 H ALA 35 3.040 3.836 1.669 235 HA ALA 35 HA ALA 35 3.470 6.684 1.957 236 HB1 ALA 35 HB1 ALA 35 4.074 6.145 4.017 237 HB2 ALA 35 HB2 ALA 35 5.375 5.117 3.415 238 HB3 ALA 35 HB3 ALA 35 3.754 4.454 3.627 239 H VAL 36 H VAL 36 5.620 3.921 1.207 240 HA VAL 36 HA VAL 36 7.852 5.545 0.628 241 HB VAL 36 HB VAL 36 7.272 2.656 -0.023 242 HG11 VAL 36 HG11 VAL 36 9.941 2.808 -0.279 243 HG12 VAL 36 HG12 VAL 36 9.507 4.396 -0.913 244 HG13 VAL 36 HG13 VAL 36 8.841 2.940 -1.651 245 HG21 VAL 36 HG21 VAL 36 9.288 3.851 1.863 246 HG22 VAL 36 HG22 VAL 36 8.707 2.188 1.791 247 HG23 VAL 36 HG23 VAL 36 7.635 3.474 2.346 248 H LEU 37 H LEU 37 5.458 4.079 -1.595 249 HA LEU 37 HA LEU 37 6.836 5.028 -3.910 250 HB2 LEU 37 HB2 LEU 37 3.977 4.126 -3.636 251 HB3 LEU 37 HB3 LEU 37 4.790 4.448 -5.153 252 HG LEU 37 HG LEU 37 5.546 2.278 -3.197 253 HD11 LEU 37 HD11 LEU 37 4.028 2.263 -5.785 254 HD12 LEU 37 HD12 LEU 37 3.510 1.667 -4.210 255 HD13 LEU 37 HD13 LEU 37 4.777 0.822 -5.098 256 HD21 LEU 37 HD21 LEU 37 6.860 3.450 -5.543 257 HD22 LEU 37 HD22 LEU 37 6.713 1.693 -5.585 258 HD23 LEU 37 HD23 LEU 37 7.530 2.477 -4.234 259 H ASP 38 H ASP 38 4.708 6.509 -1.675 260 HA ASP 38 HA ASP 38 3.499 8.451 -3.284 261 HB2 ASP 38 HB2 ASP 38 2.783 8.095 -0.980 262 HB3 ASP 38 HB3 ASP 38 4.355 8.615 -0.380 263 H SER 39 H SER 39 6.659 8.357 -1.748 264 HA SER 39 HA SER 39 7.328 11.030 -2.688 265 HB2 SER 39 HB2 SER 39 8.968 8.999 -1.154 266 HB3 SER 39 HB3 SER 39 9.481 10.643 -1.524 267 HG SER 39 HG SER 39 7.036 10.624 -0.369 268 H CYS 40 H CYS 40 7.051 8.250 -4.236 269 HA CYS 40 HA CYS 40 9.550 7.838 -5.490 270 HB2 CYS 40 HB2 CYS 40 7.781 6.138 -5.463 271 HB3 CYS 40 HB3 CYS 40 6.779 7.159 -6.498 272 HG CYS 40 HG CYS 40 7.849 5.029 -7.982 273 H ASP 41 H ASP 41 10.367 8.526 -7.410 274 HA ASP 41 HA ASP 41 8.913 10.621 -8.854 275 HB2 ASP 41 HB2 ASP 41 10.697 11.502 -7.192 276 HB3 ASP 41 HB3 ASP 41 11.869 10.873 -8.346 277 H GLY 42 H GLY 42 8.884 8.125 -9.759 278 HA2 GLY 42 HA2 GLY 42 9.121 7.277 -11.945 279 HA3 GLY 42 HA3 GLY 42 10.522 8.310 -12.168 280 H ALA 43 H ALA 43 11.296 7.105 -9.329 281 HA ALA 43 HA ALA 43 13.184 5.258 -10.316 282 HB1 ALA 43 HB1 ALA 43 13.689 4.770 -7.996 283 HB2 ALA 43 HB2 ALA 43 12.185 5.533 -7.482 284 HB3 ALA 43 HB3 ALA 43 13.463 6.506 -8.210 285 H LEU 44 H LEU 44 10.077 4.795 -8.707 286 HA LEU 44 HA LEU 44 10.113 1.977 -9.566 287 HB2 LEU 44 HB2 LEU 44 8.794 3.203 -7.127 288 HB3 LEU 44 HB3 LEU 44 8.522 1.560 -7.669 289 HG LEU 44 HG LEU 44 11.254 2.605 -6.900 290 HD11 LEU 44 HD11 LEU 44 9.300 1.016 -5.246 291 HD12 LEU 44 HD12 LEU 44 9.780 2.691 -4.966 292 HD13 LEU 44 HD13 LEU 44 10.966 1.395 -4.806 293 HD21 LEU 44 HD21 LEU 44 11.688 0.133 -6.684 294 HD22 LEU 44 HD22 LEU 44 11.451 0.726 -8.327 295 HD23 LEU 44 HD23 LEU 44 10.147 -0.128 -7.500 296 H GLY 45 H GLY 45 8.518 5.001 -9.564 297 HA2 GLY 45 HA2 GLY 45 6.813 5.767 -10.913 298 HA3 GLY 45 HA3 GLY 45 6.638 4.139 -11.553 299 H TRP 46 H TRP 46 5.224 6.505 -9.585 300 HA TRP 46 HA TRP 46 3.883 5.029 -7.656 301 HB2 TRP 46 HB2 TRP 46 2.015 6.768 -7.921 302 HB3 TRP 46 HB3 TRP 46 3.629 7.348 -7.480 303 HD1 TRP 46 HD1 TRP 46 1.053 7.463 -10.296 304 HE1 TRP 46 HE1 TRP 46 1.724 9.310 -11.962 305 HE3 TRP 46 HE3 TRP 46 5.676 8.598 -8.431 306 HZ2 TRP 46 HZ2 TRP 46 3.922 11.013 -12.424 307 HZ3 TRP 46 HZ3 TRP 46 6.994 10.350 -9.541 308 HH2 TRP 46 HH2 TRP 46 6.137 11.531 -11.496 309 H ARG 47 H ARG 47 2.941 5.564 -11.043 310 HA ARG 47 HA ARG 47 0.651 3.809 -10.777 311 HB2 ARG 47 HB2 ARG 47 0.845 4.141 -13.450 312 HB3 ARG 47 HB3 ARG 47 -0.002 5.253 -12.389 313 HG2 ARG 47 HG2 ARG 47 1.295 6.583 -13.793 314 HG3 ARG 47 HG3 ARG 47 2.179 6.557 -12.265 315 HD2 ARG 47 HD2 ARG 47 3.829 6.233 -13.892 316 HD3 ARG 47 HD3 ARG 47 3.491 4.607 -13.305 317 HE ARG 47 HE ARG 47 2.596 4.067 -15.358 318 HH11 ARG 47 HH11 ARG 47 2.234 4.405 -17.587 319 HH12 ARG 47 HH12 ARG 47 2.371 6.006 -18.241 320 HH21 ARG 47 HH21 ARG 47 3.191 7.498 -15.184 321 HH22 ARG 47 HH22 ARG 47 2.917 7.766 -16.872 322 H GLY 48 H GLY 48 3.856 3.153 -10.966 323 HA2 GLY 48 HA2 GLY 48 4.115 1.372 -13.117 324 HA3 GLY 48 HA3 GLY 48 5.073 1.325 -11.648 325 H LEU 49 H LEU 49 3.155 0.685 -9.762 326 HA LEU 49 HA LEU 49 2.861 -2.107 -10.230 327 HB2 LEU 49 HB2 LEU 49 1.707 -0.378 -8.040 328 HB3 LEU 49 HB3 LEU 49 1.722 -2.130 -8.043 329 HG LEU 49 HG LEU 49 4.161 -0.335 -7.931 330 HD11 LEU 49 HD11 LEU 49 4.407 -1.249 -5.675 331 HD12 LEU 49 HD12 LEU 49 2.884 -2.119 -5.862 332 HD13 LEU 49 HD13 LEU 49 2.899 -0.354 -5.859 333 HD21 LEU 49 HD21 LEU 49 3.984 -3.344 -7.777 334 HD22 LEU 49 HD22 LEU 49 5.443 -2.364 -7.634 335 HD23 LEU 49 HD23 LEU 49 4.572 -2.430 -9.165 336 H ALA 50 H ALA 50 0.574 0.616 -10.124 337 HA ALA 50 HA ALA 50 -1.783 -0.905 -10.468 338 HB1 ALA 50 HB1 ALA 50 -1.825 1.381 -9.646 339 HB2 ALA 50 HB2 ALA 50 -2.846 1.208 -11.075 340 HB3 ALA 50 HB3 ALA 50 -1.258 1.965 -11.213 341 H GLU 51 H GLU 51 0.319 0.698 -12.802 342 HA GLU 51 HA GLU 51 -1.254 0.312 -15.090 343 HB2 GLU 51 HB2 GLU 51 0.637 1.904 -14.979 344 HB3 GLU 51 HB3 GLU 51 1.757 0.549 -14.883 345 HG2 GLU 51 HG2 GLU 51 1.019 -0.196 -17.110 346 HG3 GLU 51 HG3 GLU 51 -0.036 1.213 -17.207 347 H ARG 52 H ARG 52 1.238 -1.651 -13.569 348 HA ARG 52 HA ARG 52 1.514 -3.591 -15.570 349 HB2 ARG 52 HB2 ARG 52 2.628 -3.110 -13.081 350 HB3 ARG 52 HB3 ARG 52 1.783 -4.634 -12.855 351 HG2 ARG 52 HG2 ARG 52 3.579 -5.615 -13.706 352 HG3 ARG 52 HG3 ARG 52 3.085 -4.960 -15.268 353 HD2 ARG 52 HD2 ARG 52 4.820 -3.490 -13.291 354 HD3 ARG 52 HD3 ARG 52 5.449 -4.451 -14.631 355 HE ARG 52 HE ARG 52 4.104 -1.875 -14.796 356 HH11 ARG 52 HH11 ARG 52 4.265 -0.780 -16.788 357 HH12 ARG 52 HH12 ARG 52 4.892 -1.612 -18.174 358 HH21 ARG 52 HH21 ARG 52 5.425 -4.628 -16.480 359 HH22 ARG 52 HH22 ARG 52 5.553 -3.804 -17.997 360 H LEU 53 H LEU 53 -0.658 -3.449 -12.750 361 HA LEU 53 HA LEU 53 -1.844 -5.988 -13.290 362 HB2 LEU 53 HB2 LEU 53 -1.886 -5.008 -11.047 363 HB3 LEU 53 HB3 LEU 53 -2.890 -3.690 -11.630 364 HG LEU 53 HG LEU 53 -4.696 -5.299 -12.131 365 HD11 LEU 53 HD11 LEU 53 -2.676 -7.263 -11.107 366 HD12 LEU 53 HD12 LEU 53 -3.645 -7.330 -12.581 367 HD13 LEU 53 HD13 LEU 53 -4.407 -7.592 -11.011 368 HD21 LEU 53 HD21 LEU 53 -5.422 -4.813 -10.095 369 HD22 LEU 53 HD22 LEU 53 -3.769 -4.478 -9.579 370 HD23 LEU 53 HD23 LEU 53 -4.427 -6.106 -9.425 371 H SER 54 H SER 54 -2.847 -2.637 -13.983 372 HA SER 54 HA SER 54 -4.445 -3.628 -16.210 373 HB2 SER 54 HB2 SER 54 -5.637 -1.962 -13.979 374 HB3 SER 54 HB3 SER 54 -6.432 -2.294 -15.518 375 HG SER 54 HG SER 54 -5.559 -4.586 -14.395 376 H SER 55 H SER 55 -4.546 -2.193 -17.916 377 HA SER 55 HA SER 55 -3.375 0.469 -17.433 378 HB2 SER 55 HB2 SER 55 -2.960 -1.352 -19.811 379 HB3 SER 55 HB3 SER 55 -2.437 0.329 -19.753 380 HG SER 55 HG SER 55 -1.654 -1.366 -17.668 381 H SER 56 H SER 56 -4.727 2.080 -17.854 382 HA SER 56 HA SER 56 -6.303 2.133 -20.248 383 HB2 SER 56 HB2 SER 56 -8.490 2.367 -19.203 384 HB3 SER 56 HB3 SER 56 -7.780 0.825 -18.729 385 HG SER 56 HG SER 56 -8.239 1.519 -16.794 386 H TRP 57 H TRP 57 -7.325 4.247 -20.573 387 HA TRP 57 HA TRP 57 -5.635 6.357 -19.707 388 HB2 TRP 57 HB2 TRP 57 -8.215 6.321 -21.268 389 HB3 TRP 57 HB3 TRP 57 -7.360 7.813 -20.889 390 HD1 TRP 57 HD1 TRP 57 -5.091 8.298 -22.191 391 HE1 TRP 57 HE1 TRP 57 -4.071 7.292 -24.329 392 HE3 TRP 57 HE3 TRP 57 -8.009 4.115 -22.601 393 HZ2 TRP 57 HZ2 TRP 57 -4.452 5.030 -25.973 394 HZ3 TRP 57 HZ3 TRP 57 -7.616 2.585 -24.485 395 HH2 TRP 57 HH2 TRP 57 -5.874 3.034 -26.136 396 H LEU 58 H LEU 58 -8.886 5.343 -18.788 397 HA LEU 58 HA LEU 58 -9.512 7.591 -17.200 398 HB2 LEU 58 HB2 LEU 58 -10.540 4.760 -17.163 399 HB3 LEU 58 HB3 LEU 58 -11.190 6.029 -16.142 400 HG LEU 58 HG LEU 58 -11.156 6.152 -19.157 401 HD11 LEU 58 HD11 LEU 58 -13.378 5.351 -17.285 402 HD12 LEU 58 HD12 LEU 58 -12.563 4.314 -18.456 403 HD13 LEU 58 HD13 LEU 58 -13.561 5.657 -19.012 404 HD21 LEU 58 HD21 LEU 58 -13.112 7.808 -18.386 405 HD22 LEU 58 HD22 LEU 58 -11.442 8.330 -18.610 406 HD23 LEU 58 HD23 LEU 58 -12.040 7.960 -16.994 407 H ASP 59 H ASP 59 -7.965 4.508 -16.433 408 HA ASP 59 HA ASP 59 -7.957 4.795 -13.633 409 HB2 ASP 59 HB2 ASP 59 -7.551 2.652 -14.780 410 HB3 ASP 59 HB3 ASP 59 -6.002 3.262 -15.354 411 H VAL 60 H VAL 60 -5.471 5.651 -16.049 412 HA VAL 60 HA VAL 60 -3.612 6.524 -14.076 413 HB VAL 60 HB VAL 60 -2.319 7.485 -15.924 414 HG11 VAL 60 HG11 VAL 60 -3.237 4.819 -16.898 415 HG12 VAL 60 HG12 VAL 60 -2.486 4.955 -15.308 416 HG13 VAL 60 HG13 VAL 60 -1.601 5.460 -16.748 417 HG21 VAL 60 HG21 VAL 60 -3.176 8.013 -17.913 418 HG22 VAL 60 HG22 VAL 60 -4.767 7.687 -17.224 419 HG23 VAL 60 HG23 VAL 60 -3.907 6.419 -18.096 420 H ASP 61 H ASP 61 -6.284 8.068 -15.628 421 HA ASP 61 HA ASP 61 -5.499 10.760 -15.367 422 HB2 ASP 61 HB2 ASP 61 -7.452 10.017 -16.698 423 HB3 ASP 61 HB3 ASP 61 -8.295 9.603 -15.209 424 H HIS 62 H HIS 62 -7.302 8.636 -13.172 425 HA HIS 62 HA HIS 62 -7.524 10.584 -11.111 426 HB2 HIS 62 HB2 HIS 62 -8.947 8.418 -11.587 427 HB3 HIS 62 HB3 HIS 62 -7.752 7.659 -10.540 428 HD2 HIS 62 HD2 HIS 62 -8.378 7.804 -7.934 429 HE1 HIS 62 HE1 HIS 62 -11.073 11.038 -8.091 430 H ILE 63 H ILE 63 -5.116 8.239 -11.988 431 HA ILE 63 HA ILE 63 -3.805 7.889 -9.535 432 HB ILE 63 HB ILE 63 -2.742 7.809 -12.358 433 HG12 ILE 63 HG12 ILE 63 -3.186 5.596 -10.345 434 HG13 ILE 63 HG13 ILE 63 -4.367 6.061 -11.575 435 HG21 ILE 63 HG21 ILE 63 -0.999 6.411 -10.639 436 HG22 ILE 63 HG22 ILE 63 -1.227 8.017 -9.947 437 HG23 ILE 63 HG23 ILE 63 -0.657 7.845 -11.607 438 HD11 ILE 63 HD11 ILE 63 -3.408 4.575 -12.902 439 HD12 ILE 63 HD12 ILE 63 -2.059 4.353 -11.787 440 HD13 ILE 63 HD13 ILE 63 -2.011 5.650 -12.983 441 H GLU 64 H GLU 64 -3.408 10.384 -12.018 442 HA GLU 64 HA GLU 64 -1.243 11.704 -10.732 443 HB2 GLU 64 HB2 GLU 64 -3.245 12.675 -12.781 444 HB3 GLU 64 HB3 GLU 64 -1.845 13.602 -12.259 445 HG2 GLU 64 HG2 GLU 64 -1.707 10.890 -13.559 446 HG3 GLU 64 HG3 GLU 64 -1.522 12.422 -14.409 447 H LYS 65 H LYS 65 -4.689 11.801 -10.345 448 HA LYS 65 HA LYS 65 -4.896 14.350 -9.114 449 HB2 LYS 65 HB2 LYS 65 -6.716 11.951 -9.146 450 HB3 LYS 65 HB3 LYS 65 -7.153 13.486 -8.406 451 HG2 LYS 65 HG2 LYS 65 -6.929 14.610 -10.548 452 HG3 LYS 65 HG3 LYS 65 -6.425 13.099 -11.304 453 HD2 LYS 65 HD2 LYS 65 -8.598 12.108 -10.778 454 HD3 LYS 65 HD3 LYS 65 -9.100 13.605 -10.005 455 HE2 LYS 65 HE2 LYS 65 -8.864 14.791 -12.127 456 HE3 LYS 65 HE3 LYS 65 -8.334 13.298 -12.903 457 HZ1 LYS 65 HZ1 LYS 65 -10.446 12.862 -13.319 458 HZ2 LYS 65 HZ2 LYS 65 -10.962 14.214 -12.444 459 HZ3 LYS 65 HZ3 LYS 65 -10.743 12.734 -11.657 460 H GLU 66 H GLU 66 -4.873 11.050 -7.627 461 HA GLU 66 HA GLU 66 -4.818 12.340 -5.015 462 HB2 GLU 66 HB2 GLU 66 -4.626 9.361 -5.223 463 HB3 GLU 66 HB3 GLU 66 -5.395 10.365 -4.009 464 HG2 GLU 66 HG2 GLU 66 -7.107 10.992 -5.752 465 HG3 GLU 66 HG3 GLU 66 -6.428 9.704 -6.746 466 H VAL 67 H VAL 67 -2.437 11.550 -7.178 467 HA VAL 67 HA VAL 67 -0.509 10.262 -5.641 468 HB VAL 67 HB VAL 67 -0.338 10.778 -8.104 469 HG11 VAL 67 HG11 VAL 67 0.930 12.892 -8.649 470 HG12 VAL 67 HG12 VAL 67 0.468 13.474 -7.050 471 HG13 VAL 67 HG13 VAL 67 -0.776 13.093 -8.243 472 HG21 VAL 67 HG21 VAL 67 2.270 11.492 -7.643 473 HG22 VAL 67 HG22 VAL 67 1.628 9.849 -7.602 474 HG23 VAL 67 HG23 VAL 67 1.785 10.773 -6.107 475 H ASP 68 H ASP 68 -1.451 13.647 -5.646 476 HA ASP 68 HA ASP 68 0.661 14.362 -3.774 477 HB2 ASP 68 HB2 ASP 68 -1.540 15.966 -5.082 478 HB3 ASP 68 HB3 ASP 68 -0.478 16.636 -3.845 479 H GLN 69 H GLN 69 -2.253 12.876 -3.549 480 HA GLN 69 HA GLN 69 -2.961 14.078 -0.960 481 HB2 GLN 69 HB2 GLN 69 -4.604 12.306 -2.779 482 HB3 GLN 69 HB3 GLN 69 -5.148 12.979 -1.247 483 HG2 GLN 69 HG2 GLN 69 -4.374 14.558 -3.691 484 HG3 GLN 69 HG3 GLN 69 -6.019 14.234 -3.145 485 HE21 GLN 69 HE21 GLN 69 -3.793 16.559 -3.273 486 HE22 GLN 69 HE22 GLN 69 -4.195 17.467 -1.863 487 H GLY 70 H GLY 70 -0.823 11.992 -1.561 488 HA2 GLY 70 HA2 GLY 70 -0.068 10.490 0.159 489 HA3 GLY 70 HA3 GLY 70 -1.743 10.103 0.503 490 H LYS 71 H LYS 71 -0.801 10.220 -2.809 491 HA LYS 71 HA LYS 71 0.044 8.631 -4.272 492 HB2 LYS 71 HB2 LYS 71 1.138 7.244 -2.672 493 HB3 LYS 71 HB3 LYS 71 -0.396 6.695 -2.008 494 HG2 LYS 71 HG2 LYS 71 0.638 4.947 -3.328 495 HG3 LYS 71 HG3 LYS 71 -0.864 5.483 -4.082 496 HD2 LYS 71 HD2 LYS 71 0.913 5.138 -5.748 497 HD3 LYS 71 HD3 LYS 71 0.402 6.825 -5.679 498 HE2 LYS 71 HE2 LYS 71 2.560 6.288 -3.849 499 HE3 LYS 71 HE3 LYS 71 2.987 5.844 -5.496 500 HZ1 LYS 71 HZ1 LYS 71 3.592 8.096 -5.186 501 HZ2 LYS 71 HZ2 LYS 71 2.084 8.498 -4.528 502 HZ3 LYS 71 HZ3 LYS 71 2.212 8.103 -6.168 503 H SER 72 H SER 72 -1.003 7.715 -5.909 504 HA SER 72 HA SER 72 -3.783 6.844 -5.521 505 HB2 SER 72 HB2 SER 72 -3.429 9.186 -6.553 506 HB3 SER 72 HB3 SER 72 -2.911 8.309 -7.983 507 HG SER 72 HG SER 72 -4.941 7.244 -7.974 508 H GLY 73 H GLY 73 -0.723 6.491 -7.152 509 HA2 GLY 73 HA2 GLY 73 -1.438 4.778 -9.224 510 HA3 GLY 73 HA3 GLY 73 0.120 4.761 -8.397 511 H THR 74 H THR 74 -0.007 3.695 -6.149 512 HA THR 74 HA THR 74 -1.180 1.093 -6.570 513 HB THR 74 HB THR 74 0.532 2.002 -4.250 514 HG1 THR 74 HG1 THR 74 1.239 1.898 -6.739 515 HG21 THR 74 HG21 THR 74 -0.916 -0.320 -4.553 516 HG22 THR 74 HG22 THR 74 0.505 -0.130 -3.529 517 HG23 THR 74 HG23 THR 74 0.674 -0.774 -5.160 518 H ARG 75 H ARG 75 -1.573 3.843 -4.396 519 HA ARG 75 HA ARG 75 -3.132 2.602 -2.418 520 HB2 ARG 75 HB2 ARG 75 -2.098 4.874 -2.215 521 HB3 ARG 75 HB3 ARG 75 -3.320 5.482 -3.317 522 HG2 ARG 75 HG2 ARG 75 -5.070 4.885 -1.764 523 HG3 ARG 75 HG3 ARG 75 -3.884 4.202 -0.654 524 HD2 ARG 75 HD2 ARG 75 -2.858 6.410 -0.409 525 HD3 ARG 75 HD3 ARG 75 -4.055 7.085 -1.517 526 HE ARG 75 HE ARG 75 -5.399 5.804 0.582 527 HH11 ARG 75 HH11 ARG 75 -6.316 7.015 2.285 528 HH12 ARG 75 HH12 ARG 75 -5.738 8.617 2.599 529 HH21 ARG 75 HH21 ARG 75 -3.375 8.573 0.015 530 HH22 ARG 75 HH22 ARG 75 -4.063 9.510 1.297 531 H GLU 76 H GLU 76 -4.141 4.383 -5.338 532 HA GLU 76 HA GLU 76 -6.909 4.116 -4.910 533 HB2 GLU 76 HB2 GLU 76 -5.996 5.738 -6.479 534 HB3 GLU 76 HB3 GLU 76 -5.374 4.447 -7.502 535 HG2 GLU 76 HG2 GLU 76 -7.731 3.706 -7.855 536 HG3 GLU 76 HG3 GLU 76 -8.253 5.128 -6.951 537 H LEU 77 H LEU 77 -4.580 2.086 -6.611 538 HA LEU 77 HA LEU 77 -6.385 0.278 -7.772 539 HB2 LEU 77 HB2 LEU 77 -4.017 0.427 -8.394 540 HB3 LEU 77 HB3 LEU 77 -3.555 -0.179 -6.816 541 HG LEU 77 HG LEU 77 -4.693 -2.325 -7.348 542 HD11 LEU 77 HD11 LEU 77 -4.974 -2.539 -9.973 543 HD12 LEU 77 HD12 LEU 77 -5.355 -0.825 -9.817 544 HD13 LEU 77 HD13 LEU 77 -6.296 -2.022 -8.928 545 HD21 LEU 77 HD21 LEU 77 -2.253 -1.299 -8.390 546 HD22 LEU 77 HD22 LEU 77 -2.956 -2.401 -9.576 547 HD23 LEU 77 HD23 LEU 77 -2.651 -2.955 -7.931 548 H LEU 78 H LEU 78 -4.689 0.175 -4.643 549 HA LEU 78 HA LEU 78 -5.798 -2.314 -3.841 550 HB2 LEU 78 HB2 LEU 78 -4.579 -0.091 -2.191 551 HB3 LEU 78 HB3 LEU 78 -4.962 -1.690 -1.573 552 HG LEU 78 HG LEU 78 -2.929 -1.039 -3.707 553 HD11 LEU 78 HD11 LEU 78 -1.316 -1.858 -2.038 554 HD12 LEU 78 HD12 LEU 78 -2.625 -1.956 -0.860 555 HD13 LEU 78 HD13 LEU 78 -2.156 -0.393 -1.532 556 HD21 LEU 78 HD21 LEU 78 -2.503 -3.627 -2.861 557 HD22 LEU 78 HD22 LEU 78 -3.245 -3.141 -4.386 558 HD23 LEU 78 HD23 LEU 78 -4.259 -3.525 -2.995 559 H TRP 79 H TRP 79 -6.758 1.038 -3.317 560 HA TRP 79 HA TRP 79 -8.916 0.383 -1.540 561 HB2 TRP 79 HB2 TRP 79 -7.931 2.904 -2.808 562 HB3 TRP 79 HB3 TRP 79 -9.528 2.870 -2.070 563 HD1 TRP 79 HD1 TRP 79 -5.849 2.976 -1.209 564 HE1 TRP 79 HE1 TRP 79 -5.581 3.241 1.338 565 HE3 TRP 79 HE3 TRP 79 -10.702 2.215 0.201 566 HZ2 TRP 79 HZ2 TRP 79 -7.214 3.143 3.642 567 HZ3 TRP 79 HZ3 TRP 79 -11.267 2.320 2.593 568 HH2 TRP 79 HH2 TRP 79 -9.557 2.773 4.277 569 H SER 80 H SER 80 -8.664 0.028 -4.839 570 HA SER 80 HA SER 80 -11.073 1.045 -5.827 571 HB2 SER 80 HB2 SER 80 -9.449 -1.340 -6.720 572 HB3 SER 80 HB3 SER 80 -10.831 -0.713 -7.615 573 HG SER 80 HG SER 80 -8.706 0.988 -6.868 574 H TRP 81 H TRP 81 -10.443 -2.091 -4.261 575 HA TRP 81 HA TRP 81 -13.203 -2.899 -4.676 576 HB2 TRP 81 HB2 TRP 81 -10.846 -4.214 -3.325 577 HB3 TRP 81 HB3 TRP 81 -12.467 -4.899 -3.258 578 HD1 TRP 81 HD1 TRP 81 -9.447 -4.638 -5.480 579 HE1 TRP 81 HE1 TRP 81 -9.866 -5.936 -7.662 580 HE3 TRP 81 HE3 TRP 81 -14.458 -5.510 -4.955 581 HZ2 TRP 81 HZ2 TRP 81 -12.037 -7.168 -8.986 582 HZ3 TRP 81 HZ3 TRP 81 -15.631 -6.755 -6.724 583 HH2 TRP 81 HH2 TRP 81 -14.444 -7.564 -8.697 584 H ALA 82 H ALA 82 -11.543 -3.434 -1.631 585 HA ALA 82 HA ALA 82 -13.684 -1.944 -0.261 586 HB1 ALA 82 HB1 ALA 82 -12.656 -3.366 1.742 587 HB2 ALA 82 HB2 ALA 82 -12.182 -4.421 0.412 588 HB3 ALA 82 HB3 ALA 82 -13.882 -4.026 0.662 589 H GLN 83 H GLN 83 -10.623 -2.966 1.096 590 HA GLN 83 HA GLN 83 -9.831 -0.144 1.355 591 HB2 GLN 83 HB2 GLN 83 -9.200 -2.463 3.204 592 HB3 GLN 83 HB3 GLN 83 -8.552 -0.833 3.375 593 HG2 GLN 83 HG2 GLN 83 -10.881 0.006 3.590 594 HG3 GLN 83 HG3 GLN 83 -11.436 -1.666 3.588 595 HE21 GLN 83 HE21 GLN 83 -11.984 -2.241 5.564 596 HE22 GLN 83 HE22 GLN 83 -11.116 -1.869 7.009 597 H LYS 84 H LYS 84 -8.498 -3.449 1.200 598 HA LYS 84 HA LYS 84 -6.577 -2.451 -0.776 599 HB2 LYS 84 HB2 LYS 84 -5.159 -2.669 1.096 600 HB3 LYS 84 HB3 LYS 84 -5.974 -4.125 1.657 601 HG2 LYS 84 HG2 LYS 84 -4.971 -5.440 -0.041 602 HG3 LYS 84 HG3 LYS 84 -4.381 -4.017 -0.889 603 HD2 LYS 84 HD2 LYS 84 -2.584 -5.139 0.308 604 HD3 LYS 84 HD3 LYS 84 -2.870 -3.533 0.970 605 HE2 LYS 84 HE2 LYS 84 -2.511 -5.282 2.694 606 HE3 LYS 84 HE3 LYS 84 -4.063 -4.449 2.835 607 HZ1 LYS 84 HZ1 LYS 84 -5.210 -6.308 2.277 608 HZ2 LYS 84 HZ2 LYS 84 -3.839 -7.075 2.909 609 HZ3 LYS 84 HZ3 LYS 84 -4.004 -6.893 1.233 610 H ASN 85 H ASN 85 -8.144 -5.265 0.675 611 HA ASN 85 HA ASN 85 -8.811 -7.288 -0.116 612 HB2 ASN 85 HB2 ASN 85 -10.306 -5.535 -1.300 613 HB3 ASN 85 HB3 ASN 85 -9.387 -5.957 -2.744 614 HD21 ASN 85 HD21 ASN 85 -10.895 -7.031 -3.891 615 HD22 ASN 85 HD22 ASN 85 -11.691 -8.468 -3.357 616 H LYS 86 H LYS 86 -6.008 -6.752 -0.500 617 HA LYS 86 HA LYS 86 -5.485 -8.652 -2.665 618 HB2 LYS 86 HB2 LYS 86 -4.720 -5.858 -2.631 619 HB3 LYS 86 HB3 LYS 86 -3.295 -6.888 -2.657 620 HG2 LYS 86 HG2 LYS 86 -3.726 -6.508 -4.894 621 HG3 LYS 86 HG3 LYS 86 -4.460 -8.088 -4.614 622 HD2 LYS 86 HD2 LYS 86 -6.591 -6.617 -4.095 623 HD3 LYS 86 HD3 LYS 86 -5.745 -5.445 -5.111 624 HE2 LYS 86 HE2 LYS 86 -6.545 -8.258 -5.854 625 HE3 LYS 86 HE3 LYS 86 -7.229 -6.761 -6.482 626 HZ1 LYS 86 HZ1 LYS 86 -5.000 -6.246 -7.394 627 HZ2 LYS 86 HZ2 LYS 86 -5.702 -7.627 -8.073 628 HZ3 LYS 86 HZ3 LYS 86 -4.476 -7.784 -6.918 629 H THR 87 H THR 87 -4.031 -10.216 -2.046 630 HA THR 87 HA THR 87 -3.018 -10.041 0.649 631 HB THR 87 HB THR 87 -2.223 -12.309 0.366 632 HG1 THR 87 HG1 THR 87 -2.639 -13.341 -1.726 633 HG21 THR 87 HG21 THR 87 -4.280 -13.145 0.645 634 HG22 THR 87 HG22 THR 87 -4.759 -12.726 -1.000 635 HG23 THR 87 HG23 THR 87 -4.872 -11.522 0.285 636 H ILE 88 H ILE 88 -0.758 -10.508 1.160 637 HA ILE 88 HA ILE 88 0.981 -8.692 -0.067 638 HB ILE 88 HB ILE 88 1.143 -10.666 2.101 639 HG12 ILE 88 HG12 ILE 88 2.491 -8.717 3.078 640 HG13 ILE 88 HG13 ILE 88 2.092 -7.849 1.599 641 HG21 ILE 88 HG21 ILE 88 3.025 -11.573 1.029 642 HG22 ILE 88 HG22 ILE 88 3.669 -10.438 2.215 643 HG23 ILE 88 HG23 ILE 88 3.597 -9.989 0.511 644 HD11 ILE 88 HD11 ILE 88 0.587 -7.264 3.401 645 HD12 ILE 88 HD12 ILE 88 0.132 -8.957 3.593 646 HD13 ILE 88 HD13 ILE 88 -0.281 -8.095 2.111 647 H GLY 89 H GLY 89 0.613 -12.182 -0.492 648 HA2 GLY 89 HA2 GLY 89 2.878 -12.617 -2.110 649 HA3 GLY 89 HA3 GLY 89 1.433 -13.620 -2.085 650 H ASP 90 H ASP 90 -0.413 -11.630 -2.931 651 HA ASP 90 HA ASP 90 -0.211 -11.897 -5.726 652 HB2 ASP 90 HB2 ASP 90 -2.352 -11.645 -4.528 653 HB3 ASP 90 HB3 ASP 90 -1.934 -9.980 -4.139 654 H LEU 91 H LEU 91 0.366 -9.069 -3.633 655 HA LEU 91 HA LEU 91 1.088 -7.412 -5.880 656 HB2 LEU 91 HB2 LEU 91 0.496 -6.994 -3.122 657 HB3 LEU 91 HB3 LEU 91 2.056 -6.279 -3.465 658 HG LEU 91 HG LEU 91 0.461 -4.551 -3.755 659 HD11 LEU 91 HD11 LEU 91 1.203 -3.789 -5.723 660 HD12 LEU 91 HD12 LEU 91 0.585 -5.180 -6.614 661 HD13 LEU 91 HD13 LEU 91 2.133 -5.287 -5.777 662 HD21 LEU 91 HD21 LEU 91 -1.410 -4.935 -5.502 663 HD22 LEU 91 HD22 LEU 91 -1.610 -5.591 -3.877 664 HD23 LEU 91 HD23 LEU 91 -1.120 -6.648 -5.200 665 H LEU 92 H LEU 92 2.772 -9.530 -3.721 666 HA LEU 92 HA LEU 92 5.356 -8.464 -3.841 667 HB2 LEU 92 HB2 LEU 92 4.718 -10.255 -2.305 668 HB3 LEU 92 HB3 LEU 92 4.501 -11.352 -3.655 669 HG LEU 92 HG LEU 92 6.917 -11.201 -4.153 670 HD11 LEU 92 HD11 LEU 92 7.596 -9.107 -3.377 671 HD12 LEU 92 HD12 LEU 92 8.332 -10.242 -2.244 672 HD13 LEU 92 HD13 LEU 92 6.877 -9.359 -1.787 673 HD21 LEU 92 HD21 LEU 92 6.103 -13.011 -2.765 674 HD22 LEU 92 HD22 LEU 92 6.228 -11.997 -1.328 675 HD23 LEU 92 HD23 LEU 92 7.685 -12.479 -2.197 676 H GLN 93 H GLN 93 3.672 -10.652 -6.043 677 HA GLN 93 HA GLN 93 5.840 -11.256 -7.732 678 HB2 GLN 93 HB2 GLN 93 2.862 -11.142 -8.242 679 HB3 GLN 93 HB3 GLN 93 4.021 -11.747 -9.419 680 HG2 GLN 93 HG2 GLN 93 4.652 -13.543 -7.982 681 HG3 GLN 93 HG3 GLN 93 3.713 -12.874 -6.647 682 HE21 GLN 93 HE21 GLN 93 1.573 -13.282 -6.519 683 HE22 GLN 93 HE22 GLN 93 0.714 -14.301 -7.623 684 H VAL 94 H VAL 94 3.460 -8.647 -7.788 685 HA VAL 94 HA VAL 94 4.342 -7.459 -10.221 686 HB VAL 94 HB VAL 94 2.782 -6.258 -7.922 687 HG11 VAL 94 HG11 VAL 94 4.010 -4.761 -9.727 688 HG12 VAL 94 HG12 VAL 94 2.396 -4.369 -9.134 689 HG13 VAL 94 HG13 VAL 94 2.591 -5.188 -10.684 690 HG21 VAL 94 HG21 VAL 94 2.033 -7.900 -10.272 691 HG22 VAL 94 HG22 VAL 94 0.958 -6.570 -9.841 692 HG23 VAL 94 HG23 VAL 94 1.319 -7.831 -8.662 693 H LEU 95 H LEU 95 5.054 -6.948 -6.809 694 HA LEU 95 HA LEU 95 6.631 -4.644 -6.971 695 HB2 LEU 95 HB2 LEU 95 6.265 -6.848 -5.040 696 HB3 LEU 95 HB3 LEU 95 7.781 -5.983 -4.910 697 HG LEU 95 HG LEU 95 6.707 -3.952 -4.354 698 HD11 LEU 95 HD11 LEU 95 4.037 -4.164 -4.256 699 HD12 LEU 95 HD12 LEU 95 4.367 -5.197 -5.649 700 HD13 LEU 95 HD13 LEU 95 4.911 -3.518 -5.646 701 HD21 LEU 95 HD21 LEU 95 5.023 -6.035 -2.988 702 HD22 LEU 95 HD22 LEU 95 5.575 -4.486 -2.351 703 HD23 LEU 95 HD23 LEU 95 6.729 -5.791 -2.620 704 H GLN 96 H GLN 96 7.464 -8.037 -7.425 705 HA GLN 96 HA GLN 96 10.263 -7.761 -7.474 706 HB2 GLN 96 HB2 GLN 96 8.443 -9.784 -8.778 707 HB3 GLN 96 HB3 GLN 96 10.196 -9.906 -8.803 708 HG2 GLN 96 HG2 GLN 96 8.470 -9.877 -6.336 709 HG3 GLN 96 HG3 GLN 96 9.214 -11.301 -7.063 710 HE21 GLN 96 HE21 GLN 96 9.485 -9.515 -4.493 711 HE22 GLN 96 HE22 GLN 96 11.198 -9.454 -4.278 712 H GLU 97 H GLU 97 7.835 -7.479 -10.038 713 HA GLU 97 HA GLU 97 9.620 -7.303 -12.209 714 HB2 GLU 97 HB2 GLU 97 7.215 -7.717 -12.491 715 HB3 GLU 97 HB3 GLU 97 6.854 -6.098 -11.901 716 HG2 GLU 97 HG2 GLU 97 6.666 -6.129 -14.287 717 HG3 GLU 97 HG3 GLU 97 8.072 -5.166 -13.841 718 H MET 98 H MET 98 8.134 -4.784 -10.194 719 HA MET 98 HA MET 98 9.420 -2.620 -11.521 720 HB2 MET 98 HB2 MET 98 8.026 -2.826 -8.861 721 HB3 MET 98 HB3 MET 98 8.735 -1.326 -9.444 722 HG2 MET 98 HG2 MET 98 6.599 -2.903 -10.864 723 HG3 MET 98 HG3 MET 98 6.327 -1.466 -9.880 724 HE1 MET 98 HE1 MET 98 7.579 -3.119 -12.855 725 HE2 MET 98 HE2 MET 98 8.236 -1.897 -13.944 726 HE3 MET 98 HE3 MET 98 6.491 -2.133 -13.834 727 H GLY 99 H GLY 99 10.263 -4.570 -8.708 728 HA2 GLY 99 HA2 GLY 99 12.495 -4.907 -7.995 729 HA3 GLY 99 HA3 GLY 99 12.962 -3.443 -8.851 730 H HIS 100 H HIS 100 10.327 -3.869 -6.537 731 HA HIS 100 HA HIS 100 11.148 -1.537 -5.072 732 HB2 HIS 100 HB2 HIS 100 8.745 -2.552 -5.496 733 HB3 HIS 100 HB3 HIS 100 9.099 -3.439 -4.018 734 HD2 HIS 100 HD2 HIS 100 6.948 -0.779 -4.518 735 HE1 HIS 100 HE1 HIS 100 9.304 0.800 -1.402 736 H ARG 101 H ARG 101 13.206 -2.094 -4.285 737 HA ARG 101 HA ARG 101 13.829 -4.358 -2.750 738 HB2 ARG 101 HB2 ARG 101 15.030 -1.628 -3.030 739 HB3 ARG 101 HB3 ARG 101 15.683 -2.770 -1.861 740 HG2 ARG 101 HG2 ARG 101 17.019 -3.317 -3.593 741 HG3 ARG 101 HG3 ARG 101 15.650 -4.339 -4.034 742 HD2 ARG 101 HD2 ARG 101 16.322 -3.152 -5.989 743 HD3 ARG 101 HD3 ARG 101 14.799 -2.456 -5.438 744 HE ARG 101 HE ARG 101 17.132 -1.089 -4.454 745 HH11 ARG 101 HH11 ARG 101 17.515 1.029 -5.211 746 HH12 ARG 101 HH12 ARG 101 16.633 1.619 -6.579 747 HH21 ARG 101 HH21 ARG 101 14.804 -1.334 -7.034 748 HH22 ARG 101 HH22 ARG 101 15.088 0.272 -7.620 749 H ARG 102 H ARG 102 12.757 -1.124 -1.750 750 HA ARG 102 HA ARG 102 13.081 -1.502 1.021 751 HB2 ARG 102 HB2 ARG 102 12.768 0.703 -0.143 752 HB3 ARG 102 HB3 ARG 102 11.061 0.312 -0.299 753 HG2 ARG 102 HG2 ARG 102 11.058 1.597 1.601 754 HG3 ARG 102 HG3 ARG 102 11.188 -0.028 2.285 755 HD2 ARG 102 HD2 ARG 102 13.648 1.566 1.654 756 HD3 ARG 102 HD3 ARG 102 12.758 1.848 3.149 757 HE ARG 102 HE ARG 102 13.194 -0.886 2.971 758 HH11 ARG 102 HH11 ARG 102 14.913 -1.913 4.067 759 HH12 ARG 102 HH12 ARG 102 16.297 -0.986 4.543 760 HH21 ARG 102 HH21 ARG 102 15.083 2.027 3.236 761 HH22 ARG 102 HH22 ARG 102 16.394 1.260 4.070 762 H ALA 103 H ALA 103 10.354 -2.109 -1.128 763 HA ALA 103 HA ALA 103 8.416 -2.652 0.837 764 HB1 ALA 103 HB1 ALA 103 8.410 -4.116 -1.764 765 HB2 ALA 103 HB2 ALA 103 8.163 -2.369 -1.733 766 HB3 ALA 103 HB3 ALA 103 7.061 -3.433 -0.857 767 H ILE 104 H ILE 104 10.849 -4.695 -0.671 768 HA ILE 104 HA ILE 104 9.960 -7.182 0.268 769 HB ILE 104 HB ILE 104 12.742 -6.199 -0.389 770 HG12 ILE 104 HG12 ILE 104 10.931 -8.080 -1.916 771 HG13 ILE 104 HG13 ILE 104 10.989 -6.345 -2.204 772 HG21 ILE 104 HG21 ILE 104 13.635 -8.075 0.402 773 HG22 ILE 104 HG22 ILE 104 12.526 -9.041 -0.569 774 HG23 ILE 104 HG23 ILE 104 12.061 -8.531 1.053 775 HD11 ILE 104 HD11 ILE 104 13.602 -6.941 -2.413 776 HD12 ILE 104 HD12 ILE 104 12.478 -6.942 -3.774 777 HD13 ILE 104 HD13 ILE 104 12.887 -8.455 -2.965 778 H HIS 105 H HIS 105 12.125 -4.782 1.742 779 HA HIS 105 HA HIS 105 12.828 -6.309 4.002 780 HB2 HIS 105 HB2 HIS 105 12.806 -3.347 3.468 781 HB3 HIS 105 HB3 HIS 105 13.321 -4.007 5.017 782 HD2 HIS 105 HD2 HIS 105 14.647 -3.456 1.462 783 HE1 HIS 105 HE1 HIS 105 17.622 -5.585 3.550 784 H LEU 106 H LEU 106 10.173 -3.953 3.527 785 HA LEU 106 HA LEU 106 9.299 -4.350 6.259 786 HB2 LEU 106 HB2 LEU 106 9.124 -2.202 4.704 787 HB3 LEU 106 HB3 LEU 106 7.558 -2.899 4.328 788 HG LEU 106 HG LEU 106 7.766 -3.012 7.128 789 HD11 LEU 106 HD11 LEU 106 8.574 -0.286 6.133 790 HD12 LEU 106 HD12 LEU 106 9.656 -1.428 6.930 791 HD13 LEU 106 HD13 LEU 106 8.275 -0.765 7.805 792 HD21 LEU 106 HD21 LEU 106 5.834 -2.478 5.474 793 HD22 LEU 106 HD22 LEU 106 6.328 -0.804 5.735 794 HD23 LEU 106 HD23 LEU 106 5.819 -1.796 7.099 795 H ILE 107 H ILE 107 8.517 -5.738 3.189 796 HA ILE 107 HA ILE 107 5.875 -6.557 3.744 797 HB ILE 107 HB ILE 107 7.124 -6.553 1.480 798 HG12 ILE 107 HG12 ILE 107 5.428 -8.984 2.026 799 HG13 ILE 107 HG13 ILE 107 4.760 -7.354 2.005 800 HG21 ILE 107 HG21 ILE 107 7.769 -9.363 2.367 801 HG22 ILE 107 HG22 ILE 107 8.943 -8.061 2.175 802 HG23 ILE 107 HG23 ILE 107 8.063 -8.669 0.773 803 HD11 ILE 107 HD11 ILE 107 5.455 -9.101 -0.192 804 HD12 ILE 107 HD12 ILE 107 6.190 -7.505 -0.351 805 HD13 ILE 107 HD13 ILE 107 4.443 -7.659 -0.168 806 H THR 108 H THR 108 8.887 -7.727 4.890 807 HA THR 108 HA THR 108 8.147 -10.407 5.465 808 HB THR 108 HB THR 108 10.103 -10.441 6.960 809 HG1 THR 108 HG1 THR 108 10.693 -7.767 6.268 810 HG21 THR 108 HG21 THR 108 11.821 -9.758 5.250 811 HG22 THR 108 HG22 THR 108 10.496 -9.124 4.273 812 HG23 THR 108 HG23 THR 108 10.567 -10.846 4.654 813 H ASN 109 H ASN 109 7.321 -7.430 6.915 814 HA ASN 109 HA ASN 109 6.947 -8.330 9.596 815 HB2 ASN 109 HB2 ASN 109 5.922 -5.931 8.085 816 HB3 ASN 109 HB3 ASN 109 5.508 -6.234 9.770 817 HD21 ASN 109 HD21 ASN 109 6.883 -3.970 8.835 818 HD22 ASN 109 HD22 ASN 109 8.471 -3.987 9.512 819 H TYR 110 H TYR 110 5.186 -8.848 6.742 820 HA TYR 110 HA TYR 110 2.544 -8.941 7.675 821 HB2 TYR 110 HB2 TYR 110 2.936 -8.986 5.320 822 HB3 TYR 110 HB3 TYR 110 3.935 -10.428 5.445 823 HD1 TYR 110 HD1 TYR 110 0.419 -9.273 6.056 824 HD2 TYR 110 HD2 TYR 110 2.999 -12.491 4.992 825 HE1 TYR 110 HE1 TYR 110 -1.533 -10.684 5.587 826 HE2 TYR 110 HE2 TYR 110 1.046 -13.903 4.518 827 HH TYR 110 HH TYR 110 -1.583 -13.787 5.480 828 H GLY 111 H GLY 111 4.991 -11.532 7.506 829 HA2 GLY 111 HA2 GLY 111 5.223 -13.392 8.869 830 HA3 GLY 111 HA3 GLY 111 3.868 -12.807 9.822 831 H ALA 112 H ALA 112 4.603 -14.307 6.678 832 HA ALA 112 HA ALA 112 1.926 -15.298 6.361 833 HB1 ALA 112 HB1 ALA 112 3.976 -16.570 4.718 834 HB2 ALA 112 HB2 ALA 112 3.998 -14.808 4.639 835 HB3 ALA 112 HB3 ALA 112 2.524 -15.689 4.242 836 H VAL 113 H VAL 113 2.376 -16.252 8.712 837 HA VAL 113 HA VAL 113 3.737 -18.727 8.919 838 HB VAL 113 HB VAL 113 1.475 -17.580 10.570 839 HG11 VAL 113 HG11 VAL 113 1.962 -20.188 10.561 840 HG12 VAL 113 HG12 VAL 113 1.576 -19.313 12.046 841 HG13 VAL 113 HG13 VAL 113 3.254 -19.694 11.659 842 HG21 VAL 113 HG21 VAL 113 3.938 -16.590 10.387 843 HG22 VAL 113 HG22 VAL 113 4.246 -17.841 11.590 844 HG23 VAL 113 HG23 VAL 113 3.035 -16.601 11.902 845 H LEU 114 H LEU 114 0.369 -17.892 8.238 846 HA LEU 114 HA LEU 114 -0.019 -20.473 6.962 847 HB2 LEU 114 HB2 LEU 114 -2.085 -20.951 8.172 848 HB3 LEU 114 HB3 LEU 114 -0.715 -20.897 9.262 849 HG LEU 114 HG LEU 114 -1.865 -18.294 9.197 850 HD11 LEU 114 HD11 LEU 114 -3.877 -20.470 9.759 851 HD12 LEU 114 HD12 LEU 114 -3.898 -19.394 8.360 852 HD13 LEU 114 HD13 LEU 114 -4.114 -18.735 9.982 853 HD21 LEU 114 HD21 LEU 114 -0.592 -19.331 11.035 854 HD22 LEU 114 HD22 LEU 114 -1.948 -20.418 11.337 855 HD23 LEU 114 HD23 LEU 114 -2.140 -18.679 11.567 856 H SER 115 H SER 115 -2.159 -20.532 5.800 857 HA SER 115 HA SER 115 -2.522 -18.041 4.404 858 HB2 SER 115 HB2 SER 115 -3.936 -20.701 4.085 859 HB3 SER 115 HB3 SER 115 -4.070 -19.334 2.980 860 HG SER 115 HG SER 115 -2.524 -20.741 2.183 861 HA PRO 116 HA PRO 116 -5.737 -16.463 7.104 862 HB2 PRO 116 HB2 PRO 116 -6.347 -14.928 4.616 863 HB3 PRO 116 HB3 PRO 116 -6.135 -14.348 6.271 864 HG2 PRO 116 HG2 PRO 116 -4.200 -13.982 4.518 865 HG3 PRO 116 HG3 PRO 116 -3.804 -14.518 6.166 866 HD2 PRO 116 HD2 PRO 116 -3.941 -16.122 3.634 867 HD3 PRO 116 HD3 PRO 116 -2.743 -16.186 4.947 868 H SER 117 H SER 117 -6.382 -17.451 3.767 869 HA SER 117 HA SER 117 -9.189 -17.552 3.941 870 HB2 SER 117 HB2 SER 117 -9.058 -18.930 1.901 871 HB3 SER 117 HB3 SER 117 -8.005 -17.517 1.800 872 HG SER 117 HG SER 117 -7.008 -19.509 1.111 873 H GLU 118 H GLU 118 -6.738 -19.708 5.061 874 HA GLU 118 HA GLU 118 -6.749 -21.697 6.149 875 HB2 GLU 118 HB2 GLU 118 -9.553 -20.802 6.826 876 HB3 GLU 118 HB3 GLU 118 -8.732 -22.154 7.593 877 HG2 GLU 118 HG2 GLU 118 -7.011 -20.642 8.433 878 HG3 GLU 118 HG3 GLU 118 -7.814 -19.285 7.646 879 H LYS 119 H LYS 119 -7.274 -21.935 3.404 880 HA LYS 119 HA LYS 119 -9.452 -23.820 3.088 881 HB2 LYS 119 HB2 LYS 119 -7.343 -22.957 1.099 882 HB3 LYS 119 HB3 LYS 119 -8.776 -23.906 0.733 883 HG2 LYS 119 HG2 LYS 119 -8.792 -21.081 1.779 884 HG3 LYS 119 HG3 LYS 119 -9.007 -21.547 0.090 885 HD2 LYS 119 HD2 LYS 119 -11.005 -22.848 0.738 886 HD3 LYS 119 HD3 LYS 119 -10.799 -22.296 2.401 887 HE2 LYS 119 HE2 LYS 119 -12.471 -20.947 1.284 888 HE3 LYS 119 HE3 LYS 119 -11.048 -19.973 1.646 889 HZ1 LYS 119 HZ1 LYS 119 -10.669 -19.608 -0.509 890 HZ2 LYS 119 HZ2 LYS 119 -12.256 -20.133 -0.764 891 HZ3 LYS 119 HZ3 LYS 119 -10.969 -21.214 -0.950 892 H SER 120 H SER 120 -8.356 -25.180 4.811 893 HA SER 120 HA SER 120 -6.028 -26.672 4.125 894 HB2 SER 120 HB2 SER 120 -6.576 -28.037 6.090 895 HB3 SER 120 HB3 SER 120 -6.718 -26.317 6.460 896 HG SER 120 HG SER 120 -8.492 -27.811 7.143 897 H TYR 121 H TYR 121 -9.346 -26.973 3.308 898 HA TYR 121 HA TYR 121 -8.851 -29.674 2.242 899 HB2 TYR 121 HB2 TYR 121 -10.576 -29.710 3.966 900 HB3 TYR 121 HB3 TYR 121 -11.462 -28.433 3.145 901 HD1 TYR 121 HD1 TYR 121 -10.281 -31.936 2.724 902 HD2 TYR 121 HD2 TYR 121 -13.091 -28.966 1.547 903 HE1 TYR 121 HE1 TYR 121 -11.539 -33.632 1.465 904 HE2 TYR 121 HE2 TYR 121 -14.357 -30.654 0.287 905 HH TYR 121 HH TYR 121 -13.383 -33.249 -0.802 906 H GLN 122 H GLN 122 -8.940 -29.910 0.101 907 HA GLN 122 HA GLN 122 -9.931 -27.652 -1.497 908 HB2 GLN 122 HB2 GLN 122 -8.014 -29.875 -2.232 909 HB3 GLN 122 HB3 GLN 122 -8.556 -28.616 -3.331 910 HG2 GLN 122 HG2 GLN 122 -6.982 -28.180 -0.802 911 HG3 GLN 122 HG3 GLN 122 -6.336 -28.149 -2.444 912 HE21 GLN 122 HE21 GLN 122 -6.862 -26.152 -0.101 913 HE22 GLN 122 HE22 GLN 122 -7.482 -24.771 -0.930 914 H GLU 123 H GLU 123 -11.451 -27.934 -3.070 915 HA GLU 123 HA GLU 123 -13.283 -30.059 -2.805 916 HB2 GLU 123 HB2 GLU 123 -12.951 -27.940 -4.929 917 HB3 GLU 123 HB3 GLU 123 -14.272 -29.101 -4.938 918 HG2 GLU 123 HG2 GLU 123 -15.118 -28.256 -2.866 919 HG3 GLU 123 HG3 GLU 123 -13.709 -27.220 -2.657 920 H GLY 124 H GLY 124 -10.695 -29.452 -5.130 921 HA2 GLY 124 HA2 GLY 124 -10.736 -32.269 -5.857 922 HA3 GLY 124 HA3 GLY 124 -11.068 -31.141 -7.162 Start of MODEL 8 1 H1 SER 1 HT1 SER 1 6.912 4.400 -19.404 2 H2 SER 1 HT2 SER 1 7.402 5.972 -19.796 3 H3 SER 1 HT3 SER 1 6.828 5.628 -18.242 4 HA SER 1 HA SER 1 8.711 4.166 -17.840 5 HB2 SER 1 HB2 SER 1 10.408 5.075 -19.971 6 HB3 SER 1 HB3 SER 1 9.951 3.422 -19.555 7 HG SER 1 HG SER 1 7.885 4.637 -20.730 8 H GLU 2 H GLU 2 7.793 7.242 -18.302 9 HA GLU 2 HA GLU 2 10.227 8.318 -17.035 10 HB2 GLU 2 HB2 GLU 2 8.370 9.669 -19.003 11 HB3 GLU 2 HB3 GLU 2 9.581 10.528 -18.064 12 HG2 GLU 2 HG2 GLU 2 11.352 9.273 -19.125 13 HG3 GLU 2 HG3 GLU 2 10.173 8.297 -19.997 14 H PHE 3 H PHE 3 9.959 9.678 -15.284 15 HA PHE 3 HA PHE 3 7.200 10.078 -14.340 16 HB2 PHE 3 HB2 PHE 3 9.586 9.287 -12.651 17 HB3 PHE 3 HB3 PHE 3 7.986 9.677 -12.030 18 HD1 PHE 3 HD1 PHE 3 10.112 7.128 -13.380 19 HD2 PHE 3 HD2 PHE 3 6.051 8.189 -12.668 20 HE1 PHE 3 HE1 PHE 3 9.458 4.769 -13.616 21 HE2 PHE 3 HE2 PHE 3 5.393 5.831 -12.902 22 HZ PHE 3 HZ PHE 3 7.096 4.117 -13.375 23 H GLY 4 H GLY 4 6.797 12.005 -13.246 24 HA2 GLY 4 HA2 GLY 4 8.783 14.094 -13.709 25 HA3 GLY 4 HA3 GLY 4 7.100 14.339 -13.265 26 H SER 5 H SER 5 8.587 15.916 -11.880 27 HA SER 5 HA SER 5 9.467 14.575 -9.436 28 HB2 SER 5 HB2 SER 5 10.340 16.852 -8.832 29 HB3 SER 5 HB3 SER 5 11.033 16.189 -10.312 30 HG SER 5 HG SER 5 8.788 17.915 -10.333 31 H MET 6 H MET 6 8.409 14.712 -7.537 32 HA MET 6 HA MET 6 6.132 16.571 -7.346 33 HB2 MET 6 HB2 MET 6 6.139 13.622 -6.704 34 HB3 MET 6 HB3 MET 6 4.913 14.725 -6.095 35 HG2 MET 6 HG2 MET 6 4.248 15.277 -8.361 36 HG3 MET 6 HG3 MET 6 5.514 14.234 -9.002 37 HE1 MET 6 HE1 MET 6 2.375 12.238 -9.979 38 HE2 MET 6 HE2 MET 6 3.543 13.469 -10.461 39 HE3 MET 6 HE3 MET 6 2.075 13.936 -9.601 40 H ALA 7 H ALA 7 8.127 14.286 -5.482 41 HA ALA 7 HA ALA 7 8.989 14.333 -3.381 42 HB1 ALA 7 HB1 ALA 7 9.437 16.957 -4.521 43 HB2 ALA 7 HB2 ALA 7 10.515 15.940 -3.564 44 HB3 ALA 7 HB3 ALA 7 9.361 17.004 -2.759 45 H GLY 8 H GLY 8 6.454 13.829 -3.078 46 HA2 GLY 8 HA2 GLY 8 4.841 15.677 -1.706 47 HA3 GLY 8 HA3 GLY 8 4.665 13.932 -1.640 48 H ASN 9 H ASN 9 7.153 13.300 -0.476 49 HA ASN 9 HA ASN 9 8.052 12.915 1.573 50 HB2 ASN 9 HB2 ASN 9 7.590 15.890 1.857 51 HB3 ASN 9 HB3 ASN 9 8.612 14.924 2.916 52 HD21 ASN 9 HD21 ASN 9 9.043 17.168 0.890 53 HD22 ASN 9 HD22 ASN 9 10.375 16.608 -0.052 54 H CYS 10 H CYS 10 5.346 12.271 1.473 55 HA CYS 10 HA CYS 10 4.505 12.918 4.218 56 HB2 CYS 10 HB2 CYS 10 2.722 12.530 1.805 57 HB3 CYS 10 HB3 CYS 10 2.152 12.730 3.457 58 HG CYS 10 HG CYS 10 4.019 15.120 1.872 59 H GLY 11 H GLY 11 3.417 11.254 5.372 60 HA2 GLY 11 HA2 GLY 11 2.444 8.899 4.933 61 HA3 GLY 11 HA3 GLY 11 4.076 8.568 4.373 62 H ALA 12 H ALA 12 2.874 7.134 6.442 63 HA ALA 12 HA ALA 12 4.778 7.635 8.573 64 HB1 ALA 12 HB1 ALA 12 1.815 7.544 9.151 65 HB2 ALA 12 HB2 ALA 12 2.840 8.974 9.259 66 HB3 ALA 12 HB3 ALA 12 3.106 7.614 10.351 67 H ARG 13 H ARG 13 5.096 5.799 9.934 68 HA ARG 13 HA ARG 13 3.818 3.322 8.980 69 HB2 ARG 13 HB2 ARG 13 6.679 4.029 9.105 70 HB3 ARG 13 HB3 ARG 13 6.279 2.452 9.771 71 HG2 ARG 13 HG2 ARG 13 5.934 1.568 7.752 72 HG3 ARG 13 HG3 ARG 13 5.013 2.967 7.195 73 HD2 ARG 13 HD2 ARG 13 7.086 2.618 5.902 74 HD3 ARG 13 HD3 ARG 13 7.052 4.176 6.730 75 HE ARG 13 HE ARG 13 8.384 2.062 8.178 76 HH11 ARG 13 HH11 ARG 13 10.614 2.319 8.569 77 HH12 ARG 13 HH12 ARG 13 11.498 3.535 7.709 78 HH21 ARG 13 HH21 ARG 13 8.724 4.673 5.899 79 HH22 ARG 13 HH22 ARG 13 10.420 4.879 6.186 80 H GLY 14 H GLY 14 6.103 4.299 11.547 81 HA2 GLY 14 HA2 GLY 14 5.576 4.379 13.864 82 HA3 GLY 14 HA3 GLY 14 4.178 3.363 13.551 83 H ALA 15 H ALA 15 6.135 2.982 15.602 84 HA ALA 15 HA ALA 15 8.040 1.013 14.958 85 HB1 ALA 15 HB1 ALA 15 6.678 1.539 17.596 86 HB2 ALA 15 HB2 ALA 15 8.155 2.311 17.016 87 HB3 ALA 15 HB3 ALA 15 8.141 0.581 17.365 88 H LEU 16 H LEU 16 4.679 0.777 15.990 89 HA LEU 16 HA LEU 16 4.804 -2.141 15.650 90 HB2 LEU 16 HB2 LEU 16 2.744 -0.479 17.109 91 HB3 LEU 16 HB3 LEU 16 2.738 -2.227 16.981 92 HG LEU 16 HG LEU 16 4.848 -0.589 18.395 93 HD11 LEU 16 HD11 LEU 16 2.664 -2.340 19.519 94 HD12 LEU 16 HD12 LEU 16 2.679 -0.576 19.542 95 HD13 LEU 16 HD13 LEU 16 3.897 -1.480 20.441 96 HD21 LEU 16 HD21 LEU 16 4.499 -3.542 17.962 97 HD22 LEU 16 HD22 LEU 16 5.448 -2.895 19.300 98 HD23 LEU 16 HD23 LEU 16 5.913 -2.539 17.636 99 H SER 17 H SER 17 3.179 -3.190 14.416 100 HA SER 17 HA SER 17 2.340 -1.708 12.123 101 HB2 SER 17 HB2 SER 17 1.109 -3.978 11.692 102 HB3 SER 17 HB3 SER 17 2.872 -3.914 11.639 103 HG SER 17 HG SER 17 1.281 -5.339 13.272 104 H ALA 18 H ALA 18 0.748 -0.273 12.288 105 HA ALA 18 HA ALA 18 -1.552 -0.761 14.002 106 HB1 ALA 18 HB1 ALA 18 -0.437 1.461 13.950 107 HB2 ALA 18 HB2 ALA 18 -2.159 1.525 13.572 108 HB3 ALA 18 HB3 ALA 18 -0.969 1.642 12.277 109 H HIS 19 H HIS 19 -0.667 -1.447 10.896 110 HA HIS 19 HA HIS 19 -3.389 -1.262 9.832 111 HB2 HIS 19 HB2 HIS 19 -0.749 -1.650 8.416 112 HB3 HIS 19 HB3 HIS 19 -2.315 -1.687 7.614 113 HD2 HIS 19 HD2 HIS 19 0.376 0.791 8.515 114 HE1 HIS 19 HE1 HIS 19 -3.054 3.102 7.720 115 H THR 20 H THR 20 -2.275 -3.382 11.701 116 HA THR 20 HA THR 20 -2.111 -5.779 10.134 117 HB THR 20 HB THR 20 -2.640 -5.562 13.103 118 HG1 THR 20 HG1 THR 20 -0.706 -4.662 13.078 119 HG21 THR 20 HG21 THR 20 -2.885 -7.791 11.790 120 HG22 THR 20 HG22 THR 20 -1.946 -7.775 13.284 121 HG23 THR 20 HG23 THR 20 -1.124 -7.748 11.724 122 H LEU 21 H LEU 21 -3.804 -6.740 9.181 123 HA LEU 21 HA LEU 21 -6.201 -7.333 10.633 124 HB2 LEU 21 HB2 LEU 21 -6.159 -4.964 9.073 125 HB3 LEU 21 HB3 LEU 21 -7.166 -6.128 8.233 126 HG LEU 21 HG LEU 21 -7.801 -6.047 11.062 127 HD11 LEU 21 HD11 LEU 21 -8.880 -3.780 10.936 128 HD12 LEU 21 HD12 LEU 21 -7.884 -3.470 9.514 129 HD13 LEU 21 HD13 LEU 21 -7.122 -3.779 11.075 130 HD21 LEU 21 HD21 LEU 21 -9.282 -5.660 8.477 131 HD22 LEU 21 HD22 LEU 21 -10.067 -5.500 10.047 132 HD23 LEU 21 HD23 LEU 21 -9.337 -7.034 9.579 133 H LEU 22 H LEU 22 -7.803 -8.527 9.145 134 HA LEU 22 HA LEU 22 -6.449 -10.705 7.985 135 HB2 LEU 22 HB2 LEU 22 -8.619 -10.931 9.029 136 HB3 LEU 22 HB3 LEU 22 -9.346 -9.895 7.817 137 HG LEU 22 HG LEU 22 -8.837 -11.599 6.088 138 HD11 LEU 22 HD11 LEU 22 -7.703 -13.037 8.457 139 HD12 LEU 22 HD12 LEU 22 -7.007 -12.802 6.854 140 HD13 LEU 22 HD13 LEU 22 -8.344 -13.930 7.078 141 HD21 LEU 22 HD21 LEU 22 -10.572 -12.189 8.442 142 HD22 LEU 22 HD22 LEU 22 -10.420 -13.383 7.154 143 HD23 LEU 22 HD23 LEU 22 -11.020 -11.765 6.791 144 H PHE 23 H PHE 23 -8.374 -8.142 6.329 145 HA PHE 23 HA PHE 23 -7.468 -9.214 3.765 146 HB2 PHE 23 HB2 PHE 23 -9.386 -6.955 4.378 147 HB3 PHE 23 HB3 PHE 23 -8.986 -7.521 2.761 148 HD1 PHE 23 HD1 PHE 23 -10.967 -8.091 5.721 149 HD2 PHE 23 HD2 PHE 23 -9.642 -9.813 2.061 150 HE1 PHE 23 HE1 PHE 23 -12.760 -9.769 5.867 151 HE2 PHE 23 HE2 PHE 23 -11.435 -11.493 2.198 152 HZ PHE 23 HZ PHE 23 -12.997 -11.473 4.102 153 H ASP 24 H ASP 24 -7.100 -6.391 5.771 154 HA ASP 24 HA ASP 24 -5.158 -5.286 3.884 155 HB2 ASP 24 HB2 ASP 24 -5.255 -3.228 5.395 156 HB3 ASP 24 HB3 ASP 24 -6.667 -3.554 4.401 157 H LEU 25 H LEU 25 -3.805 -7.086 4.540 158 HA LEU 25 HA LEU 25 -2.767 -7.665 6.998 159 HB2 LEU 25 HB2 LEU 25 -1.287 -7.581 4.369 160 HB3 LEU 25 HB3 LEU 25 -0.731 -8.418 5.806 161 HG LEU 25 HG LEU 25 -3.246 -9.067 4.268 162 HD11 LEU 25 HD11 LEU 25 -2.016 -11.162 3.709 163 HD12 LEU 25 HD12 LEU 25 -0.558 -10.406 4.349 164 HD13 LEU 25 HD13 LEU 25 -1.373 -9.702 2.956 165 HD21 LEU 25 HD21 LEU 25 -2.708 -11.232 5.814 166 HD22 LEU 25 HD22 LEU 25 -3.862 -9.964 6.230 167 HD23 LEU 25 HD23 LEU 25 -2.226 -9.915 6.883 168 HA PRO 26 HA PRO 26 -0.272 -4.591 8.979 169 HB2 PRO 26 HB2 PRO 26 2.236 -5.961 8.526 170 HB3 PRO 26 HB3 PRO 26 1.317 -5.795 10.021 171 HG2 PRO 26 HG2 PRO 26 1.395 -8.025 8.111 172 HG3 PRO 26 HG3 PRO 26 0.876 -8.011 9.803 173 HD2 PRO 26 HD2 PRO 26 -0.864 -8.302 7.773 174 HD3 PRO 26 HD3 PRO 26 -1.296 -7.435 9.261 175 HA PRO 27 HA PRO 27 1.572 -1.578 6.399 176 HB2 PRO 27 HB2 PRO 27 4.043 -1.770 8.047 177 HB3 PRO 27 HB3 PRO 27 3.109 -0.344 7.564 178 HG2 PRO 27 HG2 PRO 27 2.901 -1.335 10.011 179 HG3 PRO 27 HG3 PRO 27 1.486 -0.698 9.160 180 HD2 PRO 27 HD2 PRO 27 2.247 -3.524 9.715 181 HD3 PRO 27 HD3 PRO 27 0.637 -2.790 9.585 182 H ALA 28 H ALA 28 3.098 -4.626 6.631 183 HA ALA 28 HA ALA 28 5.427 -4.258 5.151 184 HB1 ALA 28 HB1 ALA 28 4.843 -6.694 4.357 185 HB2 ALA 28 HB2 ALA 28 3.583 -6.566 5.582 186 HB3 ALA 28 HB3 ALA 28 5.277 -6.377 6.037 187 H LEU 29 H LEU 29 2.053 -4.601 4.078 188 HA LEU 29 HA LEU 29 3.013 -4.183 1.329 189 HB2 LEU 29 HB2 LEU 29 1.340 -6.109 2.171 190 HB3 LEU 29 HB3 LEU 29 0.171 -4.866 1.762 191 HG LEU 29 HG LEU 29 1.015 -4.747 -0.503 192 HD11 LEU 29 HD11 LEU 29 3.150 -5.267 -0.851 193 HD12 LEU 29 HD12 LEU 29 2.670 -6.961 -0.773 194 HD13 LEU 29 HD13 LEU 29 3.254 -6.144 0.675 195 HD21 LEU 29 HD21 LEU 29 0.816 -7.532 -0.709 196 HD22 LEU 29 HD22 LEU 29 -0.471 -6.342 -0.902 197 HD23 LEU 29 HD23 LEU 29 -0.176 -7.075 0.677 198 H LEU 30 H LEU 30 -0.152 -3.390 2.785 199 HA LEU 30 HA LEU 30 -0.540 -1.104 1.198 200 HB2 LEU 30 HB2 LEU 30 -2.374 -2.323 2.255 201 HB3 LEU 30 HB3 LEU 30 -1.793 -1.862 3.841 202 HG LEU 30 HG LEU 30 -2.266 0.512 3.288 203 HD11 LEU 30 HD11 LEU 30 -2.224 0.792 1.021 204 HD12 LEU 30 HD12 LEU 30 -3.963 0.698 1.306 205 HD13 LEU 30 HD13 LEU 30 -3.091 -0.712 0.707 206 HD21 LEU 30 HD21 LEU 30 -3.882 -1.031 4.454 207 HD22 LEU 30 HD22 LEU 30 -4.703 -1.208 2.904 208 HD23 LEU 30 HD23 LEU 30 -4.598 0.377 3.669 209 H GLY 31 H GLY 31 0.510 -1.285 4.622 210 HA2 GLY 31 HA2 GLY 31 0.548 1.490 5.061 211 HA3 GLY 31 HA3 GLY 31 1.466 0.311 5.977 212 H GLU 32 H GLU 32 3.290 -0.635 4.223 213 HA GLU 32 HA GLU 32 5.150 1.506 4.102 214 HB2 GLU 32 HB2 GLU 32 5.705 -0.878 4.562 215 HB3 GLU 32 HB3 GLU 32 5.394 -1.231 2.866 216 HG2 GLU 32 HG2 GLU 32 7.350 0.910 3.505 217 HG3 GLU 32 HG3 GLU 32 7.827 -0.763 3.768 218 H LEU 33 H LEU 33 3.348 -0.237 1.566 219 HA LEU 33 HA LEU 33 4.681 1.096 -0.547 220 HB2 LEU 33 HB2 LEU 33 2.038 -0.356 -0.521 221 HB3 LEU 33 HB3 LEU 33 2.781 0.306 -1.970 222 HG LEU 33 HG LEU 33 4.012 -1.813 -0.204 223 HD11 LEU 33 HD11 LEU 33 2.576 -2.010 -2.845 224 HD12 LEU 33 HD12 LEU 33 2.111 -2.741 -1.309 225 HD13 LEU 33 HD13 LEU 33 3.558 -3.299 -2.149 226 HD21 LEU 33 HD21 LEU 33 5.285 -1.947 -2.595 227 HD22 LEU 33 HD22 LEU 33 5.886 -1.065 -1.189 228 HD23 LEU 33 HD23 LEU 33 5.007 -0.211 -2.456 229 H CYS 34 H CYS 34 1.705 1.887 1.235 230 HA CYS 34 HA CYS 34 1.064 4.042 -0.540 231 HB2 CYS 34 HB2 CYS 34 -0.713 4.599 0.927 232 HB3 CYS 34 HB3 CYS 34 -0.609 2.841 0.924 233 HG CYS 34 HG CYS 34 1.032 3.013 3.383 234 H ALA 35 H ALA 35 2.960 3.752 2.398 235 HA ALA 35 HA ALA 35 3.132 6.623 2.759 236 HB1 ALA 35 HB1 ALA 35 3.474 4.378 4.413 237 HB2 ALA 35 HB2 ALA 35 3.570 6.082 4.857 238 HB3 ALA 35 HB3 ALA 35 5.026 5.217 4.366 239 H VAL 36 H VAL 36 5.547 4.051 2.169 240 HA VAL 36 HA VAL 36 7.703 5.830 1.816 241 HB VAL 36 HB VAL 36 7.360 2.955 0.966 242 HG11 VAL 36 HG11 VAL 36 9.517 2.834 0.194 243 HG12 VAL 36 HG12 VAL 36 10.046 4.240 1.119 244 HG13 VAL 36 HG13 VAL 36 9.080 4.458 -0.340 245 HG21 VAL 36 HG21 VAL 36 8.874 2.531 2.857 246 HG22 VAL 36 HG22 VAL 36 7.387 3.330 3.366 247 HG23 VAL 36 HG23 VAL 36 8.880 4.256 3.226 248 H LEU 37 H LEU 37 5.589 4.249 -0.593 249 HA LEU 37 HA LEU 37 7.039 5.369 -2.779 250 HB2 LEU 37 HB2 LEU 37 4.264 4.203 -2.776 251 HB3 LEU 37 HB3 LEU 37 5.215 4.587 -4.200 252 HG LEU 37 HG LEU 37 5.825 2.465 -2.148 253 HD11 LEU 37 HD11 LEU 37 4.803 2.442 -4.955 254 HD12 LEU 37 HD12 LEU 37 4.171 1.621 -3.529 255 HD13 LEU 37 HD13 LEU 37 5.664 1.057 -4.281 256 HD21 LEU 37 HD21 LEU 37 7.957 2.968 -2.712 257 HD22 LEU 37 HD22 LEU 37 7.488 3.756 -4.220 258 HD23 LEU 37 HD23 LEU 37 7.564 1.997 -4.130 259 H ASP 38 H ASP 38 4.618 6.582 -0.686 260 HA ASP 38 HA ASP 38 3.394 8.467 -2.367 261 HB2 ASP 38 HB2 ASP 38 2.658 7.821 -0.020 262 HB3 ASP 38 HB3 ASP 38 3.942 8.866 0.584 263 H SER 39 H SER 39 6.384 8.516 -0.549 264 HA SER 39 HA SER 39 6.947 11.280 -1.247 265 HB2 SER 39 HB2 SER 39 8.582 9.232 0.271 266 HB3 SER 39 HB3 SER 39 9.031 10.924 0.055 267 HG SER 39 HG SER 39 6.833 9.860 1.491 268 H CYS 40 H CYS 40 6.953 8.642 -3.023 269 HA CYS 40 HA CYS 40 9.543 8.387 -4.085 270 HB2 CYS 40 HB2 CYS 40 7.813 6.691 -4.421 271 HB3 CYS 40 HB3 CYS 40 6.885 7.816 -5.412 272 HG CYS 40 HG CYS 40 8.132 5.862 -7.018 273 H ASP 41 H ASP 41 10.519 9.217 -5.858 274 HA ASP 41 HA ASP 41 9.246 11.514 -7.168 275 HB2 ASP 41 HB2 ASP 41 11.026 12.028 -5.296 276 HB3 ASP 41 HB3 ASP 41 12.180 11.583 -6.550 277 H GLY 42 H GLY 42 9.359 8.904 -8.120 278 HA2 GLY 42 HA2 GLY 42 9.632 8.161 -10.341 279 HA3 GLY 42 HA3 GLY 42 10.944 9.310 -10.540 280 H ALA 43 H ALA 43 11.828 8.102 -7.748 281 HA ALA 43 HA ALA 43 13.855 6.444 -8.782 282 HB1 ALA 43 HB1 ALA 43 12.865 6.615 -5.938 283 HB2 ALA 43 HB2 ALA 43 14.071 7.673 -6.671 284 HB3 ALA 43 HB3 ALA 43 14.413 5.955 -6.467 285 H LEU 44 H LEU 44 10.803 5.660 -7.162 286 HA LEU 44 HA LEU 44 11.189 2.846 -7.945 287 HB2 LEU 44 HB2 LEU 44 9.473 3.972 -5.714 288 HB3 LEU 44 HB3 LEU 44 9.574 2.279 -6.156 289 HG LEU 44 HG LEU 44 11.911 3.912 -5.143 290 HD11 LEU 44 HD11 LEU 44 11.665 2.585 -3.088 291 HD12 LEU 44 HD12 LEU 44 10.167 1.905 -3.726 292 HD13 LEU 44 HD13 LEU 44 10.277 3.632 -3.383 293 HD21 LEU 44 HD21 LEU 44 11.569 1.040 -5.934 294 HD22 LEU 44 HD22 LEU 44 12.824 1.544 -4.801 295 HD23 LEU 44 HD23 LEU 44 12.806 2.191 -6.441 296 H GLY 45 H GLY 45 9.273 5.653 -8.280 297 HA2 GLY 45 HA2 GLY 45 7.610 6.123 -9.809 298 HA3 GLY 45 HA3 GLY 45 7.688 4.454 -10.348 299 H TRP 46 H TRP 46 5.872 6.744 -8.625 300 HA TRP 46 HA TRP 46 4.480 5.279 -6.736 301 HB2 TRP 46 HB2 TRP 46 2.461 6.780 -7.484 302 HB3 TRP 46 HB3 TRP 46 3.895 7.519 -6.755 303 HD1 TRP 46 HD1 TRP 46 2.011 7.268 -10.075 304 HE1 TRP 46 HE1 TRP 46 2.921 9.056 -11.684 305 HE3 TRP 46 HE3 TRP 46 5.984 8.909 -7.304 306 HZ2 TRP 46 HZ2 TRP 46 5.037 10.921 -11.768 307 HZ3 TRP 46 HZ3 TRP 46 7.397 10.700 -8.220 308 HH2 TRP 46 HH2 TRP 46 6.936 11.685 -10.405 309 H ARG 47 H ARG 47 3.621 5.635 -10.178 310 HA ARG 47 HA ARG 47 1.654 3.525 -10.011 311 HB2 ARG 47 HB2 ARG 47 1.311 3.908 -12.416 312 HB3 ARG 47 HB3 ARG 47 1.160 5.386 -11.489 313 HG2 ARG 47 HG2 ARG 47 3.497 5.948 -12.136 314 HG3 ARG 47 HG3 ARG 47 3.500 4.520 -13.171 315 HD2 ARG 47 HD2 ARG 47 1.644 5.434 -14.456 316 HD3 ARG 47 HD3 ARG 47 1.593 6.848 -13.401 317 HE ARG 47 HE ARG 47 4.176 6.575 -14.494 318 HH11 ARG 47 HH11 ARG 47 4.860 7.970 -16.160 319 HH12 ARG 47 HH12 ARG 47 3.677 8.800 -17.116 320 HH21 ARG 47 HH21 ARG 47 0.932 7.436 -15.421 321 HH22 ARG 47 HH22 ARG 47 1.437 8.497 -16.694 322 H GLY 48 H GLY 48 4.922 3.376 -10.085 323 HA2 GLY 48 HA2 GLY 48 5.540 1.716 -12.255 324 HA3 GLY 48 HA3 GLY 48 6.420 1.754 -10.736 325 H LEU 49 H LEU 49 4.567 0.774 -8.954 326 HA LEU 49 HA LEU 49 4.629 -2.011 -9.579 327 HB2 LEU 49 HB2 LEU 49 3.310 -0.549 -7.291 328 HB3 LEU 49 HB3 LEU 49 3.488 -2.289 -7.402 329 HG LEU 49 HG LEU 49 5.761 -0.297 -7.213 330 HD11 LEU 49 HD11 LEU 49 6.092 -1.190 -4.993 331 HD12 LEU 49 HD12 LEU 49 4.725 -2.284 -5.197 332 HD13 LEU 49 HD13 LEU 49 4.460 -0.542 -5.146 333 HD21 LEU 49 HD21 LEU 49 5.770 -3.316 -7.271 334 HD22 LEU 49 HD22 LEU 49 7.166 -2.295 -6.925 335 HD23 LEU 49 HD23 LEU 49 6.407 -2.242 -8.514 336 H ALA 50 H ALA 50 2.039 0.409 -9.307 337 HA ALA 50 HA ALA 50 -0.126 -1.346 -9.726 338 HB1 ALA 50 HB1 ALA 50 -1.432 0.644 -10.191 339 HB2 ALA 50 HB2 ALA 50 0.046 1.589 -10.361 340 HB3 ALA 50 HB3 ALA 50 -0.382 0.895 -8.796 341 H GLU 51 H GLU 51 1.805 0.516 -12.008 342 HA GLU 51 HA GLU 51 0.225 0.187 -14.274 343 HB2 GLU 51 HB2 GLU 51 2.046 1.826 -14.130 344 HB3 GLU 51 HB3 GLU 51 3.227 0.523 -14.088 345 HG2 GLU 51 HG2 GLU 51 3.179 1.461 -16.290 346 HG3 GLU 51 HG3 GLU 51 2.495 -0.161 -16.352 347 H ARG 52 H ARG 52 2.909 -1.783 -13.015 348 HA ARG 52 HA ARG 52 2.998 -3.611 -15.162 349 HB2 ARG 52 HB2 ARG 52 3.890 -3.840 -12.293 350 HB3 ARG 52 HB3 ARG 52 4.126 -5.131 -13.463 351 HG2 ARG 52 HG2 ARG 52 5.464 -3.629 -14.851 352 HG3 ARG 52 HG3 ARG 52 5.230 -2.336 -13.671 353 HD2 ARG 52 HD2 ARG 52 6.353 -3.668 -11.970 354 HD3 ARG 52 HD3 ARG 52 6.560 -4.988 -13.120 355 HE ARG 52 HE ARG 52 8.093 -2.543 -12.968 356 HH11 ARG 52 HH11 ARG 52 9.929 -2.392 -14.305 357 HH12 ARG 52 HH12 ARG 52 10.145 -3.525 -15.596 358 HH21 ARG 52 HH21 ARG 52 7.191 -5.282 -14.930 359 HH22 ARG 52 HH22 ARG 52 8.585 -5.173 -15.954 360 H LEU 53 H LEU 53 1.178 -3.653 -12.111 361 HA LEU 53 HA LEU 53 0.172 -6.287 -12.486 362 HB2 LEU 53 HB2 LEU 53 0.224 -5.220 -10.280 363 HB3 LEU 53 HB3 LEU 53 -0.958 -4.035 -10.816 364 HG LEU 53 HG LEU 53 -2.624 -5.834 -11.105 365 HD11 LEU 53 HD11 LEU 53 -0.327 -7.543 -10.224 366 HD12 LEU 53 HD12 LEU 53 -1.430 -7.771 -11.581 367 HD13 LEU 53 HD13 LEU 53 -1.993 -8.040 -9.932 368 HD21 LEU 53 HD21 LEU 53 -1.420 -5.036 -8.575 369 HD22 LEU 53 HD22 LEU 53 -2.309 -6.555 -8.476 370 HD23 LEU 53 HD23 LEU 53 -3.116 -5.098 -9.056 371 H SER 54 H SER 54 -1.154 -3.070 -13.214 372 HA SER 54 HA SER 54 -2.915 -4.341 -15.177 373 HB2 SER 54 HB2 SER 54 -3.870 -2.380 -13.079 374 HB3 SER 54 HB3 SER 54 -4.829 -2.935 -14.450 375 HG SER 54 HG SER 54 -3.813 -5.049 -13.151 376 H SER 55 H SER 55 -2.830 -3.303 -17.081 377 HA SER 55 HA SER 55 -1.831 -0.529 -17.079 378 HB2 SER 55 HB2 SER 55 -1.552 -2.611 -19.264 379 HB3 SER 55 HB3 SER 55 -0.892 -0.977 -19.297 380 HG SER 55 HG SER 55 -0.067 -2.141 -17.055 381 H SER 56 H SER 56 -3.694 0.647 -17.159 382 HA SER 56 HA SER 56 -5.403 0.204 -19.506 383 HB2 SER 56 HB2 SER 56 -6.366 0.880 -16.715 384 HB3 SER 56 HB3 SER 56 -7.384 0.831 -18.154 385 HG SER 56 HG SER 56 -7.397 -1.123 -16.866 386 H TRP 57 H TRP 57 -6.263 2.048 -20.463 387 HA TRP 57 HA TRP 57 -4.750 4.461 -20.006 388 HB2 TRP 57 HB2 TRP 57 -5.402 3.516 -22.291 389 HB3 TRP 57 HB3 TRP 57 -7.026 4.109 -21.960 390 HD1 TRP 57 HD1 TRP 57 -7.497 6.477 -22.812 391 HE1 TRP 57 HE1 TRP 57 -6.071 8.503 -23.514 392 HE3 TRP 57 HE3 TRP 57 -2.864 4.660 -21.634 393 HZ2 TRP 57 HZ2 TRP 57 -3.345 9.235 -23.559 394 HZ3 TRP 57 HZ3 TRP 57 -0.899 6.088 -22.038 395 HH2 TRP 57 HH2 TRP 57 -1.137 8.327 -22.980 396 H LEU 58 H LEU 58 -5.626 6.510 -19.549 397 HA LEU 58 HA LEU 58 -6.998 8.078 -18.643 398 HB2 LEU 58 HB2 LEU 58 -9.092 5.935 -18.919 399 HB3 LEU 58 HB3 LEU 58 -9.430 7.503 -18.210 400 HG LEU 58 HG LEU 58 -8.385 7.119 -21.015 401 HD11 LEU 58 HD11 LEU 58 -10.597 6.115 -20.788 402 HD12 LEU 58 HD12 LEU 58 -10.659 7.587 -21.758 403 HD13 LEU 58 HD13 LEU 58 -11.208 7.611 -20.084 404 HD21 LEU 58 HD21 LEU 58 -9.055 9.449 -19.328 405 HD22 LEU 58 HD22 LEU 58 -9.593 9.509 -21.008 406 HD23 LEU 58 HD23 LEU 58 -7.883 9.292 -20.636 407 H ASP 59 H ASP 59 -6.917 4.893 -17.212 408 HA ASP 59 HA ASP 59 -7.827 5.559 -14.636 409 HB2 ASP 59 HB2 ASP 59 -6.015 3.363 -15.620 410 HB3 ASP 59 HB3 ASP 59 -6.440 3.532 -13.919 411 H VAL 60 H VAL 60 -4.668 5.821 -16.127 412 HA VAL 60 HA VAL 60 -3.114 6.266 -13.848 413 HB VAL 60 HB VAL 60 -1.524 7.434 -15.381 414 HG11 VAL 60 HG11 VAL 60 -2.656 4.736 -16.041 415 HG12 VAL 60 HG12 VAL 60 -1.165 5.139 -15.188 416 HG13 VAL 60 HG13 VAL 60 -1.281 5.389 -16.930 417 HG21 VAL 60 HG21 VAL 60 -2.046 8.077 -17.477 418 HG22 VAL 60 HG22 VAL 60 -3.704 8.047 -16.878 419 HG23 VAL 60 HG23 VAL 60 -3.064 6.666 -17.768 420 H ASP 61 H ASP 61 -5.419 8.333 -15.361 421 HA ASP 61 HA ASP 61 -4.407 10.855 -14.584 422 HB2 ASP 61 HB2 ASP 61 -6.285 10.443 -16.224 423 HB3 ASP 61 HB3 ASP 61 -7.326 10.099 -14.846 424 H HIS 62 H HIS 62 -6.546 8.542 -12.968 425 HA HIS 62 HA HIS 62 -7.051 10.144 -10.684 426 HB2 HIS 62 HB2 HIS 62 -8.284 7.998 -11.576 427 HB3 HIS 62 HB3 HIS 62 -7.134 7.154 -10.543 428 HD2 HIS 62 HD2 HIS 62 -8.027 6.842 -8.037 429 HE1 HIS 62 HE1 HIS 62 -10.819 9.995 -7.934 430 H ILE 63 H ILE 63 -4.488 7.964 -11.590 431 HA ILE 63 HA ILE 63 -3.333 7.474 -9.082 432 HB ILE 63 HB ILE 63 -2.095 7.640 -11.834 433 HG12 ILE 63 HG12 ILE 63 -2.553 5.254 -10.035 434 HG13 ILE 63 HG13 ILE 63 -3.708 5.783 -11.261 435 HG21 ILE 63 HG21 ILE 63 -0.049 7.634 -10.976 436 HG22 ILE 63 HG22 ILE 63 -0.430 6.175 -10.061 437 HG23 ILE 63 HG23 ILE 63 -0.723 7.761 -9.351 438 HD11 ILE 63 HD11 ILE 63 -2.645 4.460 -12.681 439 HD12 ILE 63 HD12 ILE 63 -1.336 4.178 -11.534 440 HD13 ILE 63 HD13 ILE 63 -1.283 5.578 -12.607 441 H GLU 64 H GLU 64 -2.882 10.111 -11.396 442 HA GLU 64 HA GLU 64 -0.919 11.498 -9.886 443 HB2 GLU 64 HB2 GLU 64 -2.785 12.378 -12.092 444 HB3 GLU 64 HB3 GLU 64 -1.575 13.437 -11.378 445 HG2 GLU 64 HG2 GLU 64 0.202 12.008 -12.130 446 HG3 GLU 64 HG3 GLU 64 -0.953 10.805 -12.700 447 H LYS 65 H LYS 65 -4.431 11.580 -9.970 448 HA LYS 65 HA LYS 65 -4.849 13.983 -8.585 449 HB2 LYS 65 HB2 LYS 65 -6.543 11.515 -8.890 450 HB3 LYS 65 HB3 LYS 65 -7.112 12.970 -8.083 451 HG2 LYS 65 HG2 LYS 65 -6.780 14.252 -10.127 452 HG3 LYS 65 HG3 LYS 65 -6.172 12.809 -10.941 453 HD2 LYS 65 HD2 LYS 65 -8.332 11.712 -10.621 454 HD3 LYS 65 HD3 LYS 65 -8.941 13.140 -9.787 455 HE2 LYS 65 HE2 LYS 65 -8.615 14.468 -11.814 456 HE3 LYS 65 HE3 LYS 65 -7.993 13.044 -12.646 457 HZ1 LYS 65 HZ1 LYS 65 -10.721 13.786 -12.046 458 HZ2 LYS 65 HZ2 LYS 65 -10.358 12.159 -11.753 459 HZ3 LYS 65 HZ3 LYS 65 -10.110 12.817 -13.291 460 H GLU 66 H GLU 66 -4.724 10.635 -7.213 461 HA GLU 66 HA GLU 66 -5.036 11.824 -4.572 462 HB2 GLU 66 HB2 GLU 66 -4.560 8.882 -4.845 463 HB3 GLU 66 HB3 GLU 66 -5.519 9.771 -3.678 464 HG2 GLU 66 HG2 GLU 66 -7.104 10.318 -5.582 465 HG3 GLU 66 HG3 GLU 66 -6.243 9.088 -6.505 466 H VAL 67 H VAL 67 -2.402 11.328 -6.515 467 HA VAL 67 HA VAL 67 -0.531 10.157 -4.806 468 HB VAL 67 HB VAL 67 -0.218 10.789 -7.266 469 HG11 VAL 67 HG11 VAL 67 0.386 13.425 -5.970 470 HG12 VAL 67 HG12 VAL 67 -0.620 13.083 -7.380 471 HG13 VAL 67 HG13 VAL 67 1.136 12.951 -7.493 472 HG21 VAL 67 HG21 VAL 67 2.314 11.301 -6.765 473 HG22 VAL 67 HG22 VAL 67 1.606 9.731 -6.389 474 HG23 VAL 67 HG23 VAL 67 1.826 10.927 -5.111 475 H ASP 68 H ASP 68 -1.796 13.425 -4.848 476 HA ASP 68 HA ASP 68 0.087 14.312 -2.811 477 HB2 ASP 68 HB2 ASP 68 -2.181 15.705 -4.243 478 HB3 ASP 68 HB3 ASP 68 -1.287 16.452 -2.922 479 H GLN 69 H GLN 69 -2.666 12.525 -2.841 480 HA GLN 69 HA GLN 69 -3.665 13.562 -0.277 481 HB2 GLN 69 HB2 GLN 69 -5.002 11.705 -2.255 482 HB3 GLN 69 HB3 GLN 69 -5.716 12.286 -0.756 483 HG2 GLN 69 HG2 GLN 69 -4.923 13.983 -3.113 484 HG3 GLN 69 HG3 GLN 69 -6.563 13.508 -2.680 485 HE21 GLN 69 HE21 GLN 69 -6.997 14.033 -0.229 486 HE22 GLN 69 HE22 GLN 69 -6.610 15.654 0.224 487 H GLY 70 H GLY 70 -1.303 11.700 -0.796 488 HA2 GLY 70 HA2 GLY 70 -0.519 10.211 0.925 489 HA3 GLY 70 HA3 GLY 70 -2.170 9.664 1.149 490 H LYS 71 H LYS 71 -1.036 9.980 -2.087 491 HA LYS 71 HA LYS 71 0.024 8.523 -3.544 492 HB2 LYS 71 HB2 LYS 71 1.143 7.179 -1.924 493 HB3 LYS 71 HB3 LYS 71 -0.375 6.472 -1.378 494 HG2 LYS 71 HG2 LYS 71 0.892 4.874 -2.692 495 HG3 LYS 71 HG3 LYS 71 -0.610 5.306 -3.511 496 HD2 LYS 71 HD2 LYS 71 1.202 5.206 -5.127 497 HD3 LYS 71 HD3 LYS 71 0.665 6.877 -4.938 498 HE2 LYS 71 HE2 LYS 71 2.699 6.383 -3.040 499 HE3 LYS 71 HE3 LYS 71 3.252 5.793 -4.604 500 HZ1 LYS 71 HZ1 LYS 71 2.317 8.534 -3.952 501 HZ2 LYS 71 HZ2 LYS 71 2.612 7.994 -5.528 502 HZ3 LYS 71 HZ3 LYS 71 3.880 8.060 -4.406 503 H SER 72 H SER 72 -0.815 7.499 -5.248 504 HA SER 72 HA SER 72 -3.545 6.430 -5.060 505 HB2 SER 72 HB2 SER 72 -3.285 8.783 -6.102 506 HB3 SER 72 HB3 SER 72 -2.569 7.937 -7.466 507 HG SER 72 HG SER 72 -4.786 8.156 -7.804 508 H GLY 73 H GLY 73 -0.374 6.385 -6.588 509 HA2 GLY 73 HA2 GLY 73 -0.799 4.523 -8.601 510 HA3 GLY 73 HA3 GLY 73 0.713 4.701 -7.713 511 H THR 74 H THR 74 0.519 3.713 -5.383 512 HA THR 74 HA THR 74 -0.272 0.971 -5.790 513 HB THR 74 HB THR 74 0.748 0.962 -3.290 514 HG1 THR 74 HG1 THR 74 2.215 2.572 -3.029 515 HG21 THR 74 HG21 THR 74 2.675 0.064 -4.229 516 HG22 THR 74 HG22 THR 74 2.630 1.159 -5.611 517 HG23 THR 74 HG23 THR 74 1.480 -0.172 -5.503 518 H ARG 75 H ARG 75 -1.179 3.689 -3.736 519 HA ARG 75 HA ARG 75 -2.771 2.277 -1.899 520 HB2 ARG 75 HB2 ARG 75 -1.978 4.633 -1.601 521 HB3 ARG 75 HB3 ARG 75 -3.157 5.136 -2.799 522 HG2 ARG 75 HG2 ARG 75 -4.964 4.362 -1.409 523 HG3 ARG 75 HG3 ARG 75 -3.822 3.760 -0.209 524 HD2 ARG 75 HD2 ARG 75 -3.022 6.052 0.149 525 HD3 ARG 75 HD3 ARG 75 -4.193 6.637 -1.035 526 HE ARG 75 HE ARG 75 -5.569 5.182 0.919 527 HH11 ARG 75 HH11 ARG 75 -6.714 6.248 2.579 528 HH12 ARG 75 HH12 ARG 75 -6.303 7.879 2.988 529 HH21 ARG 75 HH21 ARG 75 -3.756 8.130 0.596 530 HH22 ARG 75 HH22 ARG 75 -4.617 8.958 1.851 531 H GLU 76 H GLU 76 -3.688 3.957 -4.921 532 HA GLU 76 HA GLU 76 -6.451 3.432 -4.723 533 HB2 GLU 76 HB2 GLU 76 -5.560 5.135 -6.239 534 HB3 GLU 76 HB3 GLU 76 -4.762 3.895 -7.200 535 HG2 GLU 76 HG2 GLU 76 -7.027 2.947 -7.688 536 HG3 GLU 76 HG3 GLU 76 -7.717 4.340 -6.858 537 H LEU 77 H LEU 77 -3.798 1.637 -6.178 538 HA LEU 77 HA LEU 77 -5.294 -0.341 -7.486 539 HB2 LEU 77 HB2 LEU 77 -2.906 0.044 -7.875 540 HB3 LEU 77 HB3 LEU 77 -2.542 -0.494 -6.246 541 HG LEU 77 HG LEU 77 -3.389 -2.754 -6.845 542 HD11 LEU 77 HD11 LEU 77 -4.038 -1.342 -9.343 543 HD12 LEU 77 HD12 LEU 77 -4.792 -2.753 -8.604 544 HD13 LEU 77 HD13 LEU 77 -3.305 -2.935 -9.534 545 HD21 LEU 77 HD21 LEU 77 -1.440 -2.769 -8.838 546 HD22 LEU 77 HD22 LEU 77 -1.212 -3.078 -7.117 547 HD23 LEU 77 HD23 LEU 77 -0.991 -1.450 -7.758 548 H LEU 78 H LEU 78 -3.913 -0.273 -4.207 549 HA LEU 78 HA LEU 78 -4.849 -2.870 -3.502 550 HB2 LEU 78 HB2 LEU 78 -3.959 -0.571 -1.755 551 HB3 LEU 78 HB3 LEU 78 -4.205 -2.220 -1.198 552 HG LEU 78 HG LEU 78 -2.126 -1.301 -3.192 553 HD11 LEU 78 HD11 LEU 78 -0.539 -2.022 -1.436 554 HD12 LEU 78 HD12 LEU 78 -1.905 -2.243 -0.343 555 HD13 LEU 78 HD13 LEU 78 -1.530 -0.638 -0.974 556 HD21 LEU 78 HD21 LEU 78 -2.249 -3.410 -3.938 557 HD22 LEU 78 HD22 LEU 78 -3.193 -3.948 -2.550 558 HD23 LEU 78 HD23 LEU 78 -1.439 -3.833 -2.430 559 H TRP 79 H TRP 79 -6.122 0.395 -2.979 560 HA TRP 79 HA TRP 79 -8.339 -0.561 -1.392 561 HB2 TRP 79 HB2 TRP 79 -7.478 2.140 -2.360 562 HB3 TRP 79 HB3 TRP 79 -9.087 1.908 -1.684 563 HD1 TRP 79 HD1 TRP 79 -5.486 2.335 -0.692 564 HE1 TRP 79 HE1 TRP 79 -5.293 2.323 1.877 565 HE3 TRP 79 HE3 TRP 79 -10.213 0.771 0.470 566 HZ2 TRP 79 HZ2 TRP 79 -6.928 1.725 4.099 567 HZ3 TRP 79 HZ3 TRP 79 -10.818 0.505 2.840 568 HH2 TRP 79 HH2 TRP 79 -9.208 0.972 4.617 569 H SER 80 H SER 80 -7.785 -0.544 -4.662 570 HA SER 80 HA SER 80 -10.162 0.404 -5.774 571 HB2 SER 80 HB2 SER 80 -8.195 -0.111 -7.127 572 HB3 SER 80 HB3 SER 80 -8.377 -1.828 -6.766 573 HG SER 80 HG SER 80 -10.686 -1.130 -7.704 574 H TRP 81 H TRP 81 -9.417 -2.855 -4.534 575 HA TRP 81 HA TRP 81 -12.064 -3.774 -5.287 576 HB2 TRP 81 HB2 TRP 81 -9.614 -5.065 -4.162 577 HB3 TRP 81 HB3 TRP 81 -11.170 -5.853 -3.905 578 HD1 TRP 81 HD1 TRP 81 -8.525 -5.284 -6.518 579 HE1 TRP 81 HE1 TRP 81 -9.176 -6.514 -8.684 580 HE3 TRP 81 HE3 TRP 81 -13.338 -6.535 -5.327 581 HZ2 TRP 81 HZ2 TRP 81 -11.431 -7.840 -9.745 582 HZ3 TRP 81 HZ3 TRP 81 -14.673 -7.785 -6.973 583 HH2 TRP 81 HH2 TRP 81 -13.738 -8.423 -9.137 584 H ALA 82 H ALA 82 -10.624 -4.623 -2.186 585 HA ALA 82 HA ALA 82 -13.026 -3.523 -0.878 586 HB1 ALA 82 HB1 ALA 82 -11.404 -5.964 -0.404 587 HB2 ALA 82 HB2 ALA 82 -13.148 -5.724 -0.303 588 HB3 ALA 82 HB3 ALA 82 -12.104 -5.168 1.006 589 H GLN 83 H GLN 83 -10.067 -4.525 0.688 590 HA GLN 83 HA GLN 83 -9.629 -1.761 1.613 591 HB2 GLN 83 HB2 GLN 83 -9.042 -4.424 2.933 592 HB3 GLN 83 HB3 GLN 83 -8.430 -2.887 3.541 593 HG2 GLN 83 HG2 GLN 83 -10.628 -2.097 3.986 594 HG3 GLN 83 HG3 GLN 83 -11.354 -3.462 3.143 595 HE21 GLN 83 HE21 GLN 83 -11.287 -2.337 6.026 596 HE22 GLN 83 HE22 GLN 83 -11.055 -3.755 6.983 597 H LYS 84 H LYS 84 -7.876 -4.800 1.053 598 HA LYS 84 HA LYS 84 -5.890 -3.294 -0.489 599 HB2 LYS 84 HB2 LYS 84 -4.620 -3.684 1.451 600 HB3 LYS 84 HB3 LYS 84 -5.366 -5.249 1.742 601 HG2 LYS 84 HG2 LYS 84 -4.044 -6.307 0.137 602 HG3 LYS 84 HG3 LYS 84 -3.627 -4.794 -0.651 603 HD2 LYS 84 HD2 LYS 84 -1.726 -5.675 0.567 604 HD3 LYS 84 HD3 LYS 84 -2.266 -4.166 1.294 605 HE2 LYS 84 HE2 LYS 84 -1.685 -5.953 2.931 606 HE3 LYS 84 HE3 LYS 84 -3.329 -5.331 3.087 607 HZ1 LYS 84 HZ1 LYS 84 -3.043 -7.631 1.341 608 HZ2 LYS 84 HZ2 LYS 84 -4.213 -7.306 2.526 609 HZ3 LYS 84 HZ3 LYS 84 -2.701 -7.927 2.974 610 H ASN 85 H ASN 85 -7.362 -6.384 0.306 611 HA ASN 85 HA ASN 85 -7.784 -8.294 -0.837 612 HB2 ASN 85 HB2 ASN 85 -9.180 -6.453 -2.027 613 HB3 ASN 85 HB3 ASN 85 -8.030 -6.665 -3.345 614 HD21 ASN 85 HD21 ASN 85 -9.160 -7.720 -4.852 615 HD22 ASN 85 HD22 ASN 85 -9.992 -9.213 -4.607 616 H LYS 86 H LYS 86 -5.010 -7.513 -0.706 617 HA LYS 86 HA LYS 86 -4.000 -9.134 -2.918 618 HB2 LYS 86 HB2 LYS 86 -3.316 -6.313 -2.328 619 HB3 LYS 86 HB3 LYS 86 -1.943 -7.374 -2.599 620 HG2 LYS 86 HG2 LYS 86 -2.289 -6.681 -4.726 621 HG3 LYS 86 HG3 LYS 86 -3.380 -8.069 -4.721 622 HD2 LYS 86 HD2 LYS 86 -5.247 -6.552 -4.165 623 HD3 LYS 86 HD3 LYS 86 -4.136 -5.184 -4.250 624 HE2 LYS 86 HE2 LYS 86 -3.664 -5.778 -6.609 625 HE3 LYS 86 HE3 LYS 86 -4.876 -7.053 -6.495 626 HZ1 LYS 86 HZ1 LYS 86 -6.560 -5.413 -6.079 627 HZ2 LYS 86 HZ2 LYS 86 -5.742 -5.013 -7.503 628 HZ3 LYS 86 HZ3 LYS 86 -5.420 -4.161 -6.077 629 H THR 87 H THR 87 -1.737 -9.933 -2.387 630 HA THR 87 HA THR 87 -1.369 -10.032 0.529 631 HB THR 87 HB THR 87 -0.605 -12.333 0.395 632 HG1 THR 87 HG1 THR 87 -1.368 -13.217 -1.921 633 HG21 THR 87 HG21 THR 87 -3.002 -11.915 0.765 634 HG22 THR 87 HG22 THR 87 -2.724 -13.434 -0.087 635 HG23 THR 87 HG23 THR 87 -3.280 -12.013 -0.974 636 H ILE 88 H ILE 88 0.823 -10.540 1.204 637 HA ILE 88 HA ILE 88 2.693 -8.826 0.052 638 HB ILE 88 HB ILE 88 2.800 -10.909 2.184 639 HG12 ILE 88 HG12 ILE 88 3.652 -8.848 3.453 640 HG13 ILE 88 HG13 ILE 88 3.241 -7.926 2.014 641 HG21 ILE 88 HG21 ILE 88 5.190 -9.730 0.840 642 HG22 ILE 88 HG22 ILE 88 4.904 -11.387 1.369 643 HG23 ILE 88 HG23 ILE 88 5.230 -10.127 2.558 644 HD11 ILE 88 HD11 ILE 88 0.930 -8.490 2.258 645 HD12 ILE 88 HD12 ILE 88 1.528 -7.878 3.800 646 HD13 ILE 88 HD13 ILE 88 1.294 -9.611 3.570 647 H GLY 89 H GLY 89 2.360 -12.354 -0.273 648 HA2 GLY 89 HA2 GLY 89 4.754 -12.804 -1.677 649 HA3 GLY 89 HA3 GLY 89 3.319 -13.819 -1.768 650 H ASP 90 H ASP 90 1.524 -11.953 -2.878 651 HA ASP 90 HA ASP 90 2.129 -12.204 -5.627 652 HB2 ASP 90 HB2 ASP 90 0.004 -10.648 -4.159 653 HB3 ASP 90 HB3 ASP 90 0.118 -10.659 -5.913 654 H LEU 91 H LEU 91 2.333 -9.463 -3.412 655 HA LEU 91 HA LEU 91 3.034 -7.577 -5.444 656 HB2 LEU 91 HB2 LEU 91 2.430 -7.492 -2.648 657 HB3 LEU 91 HB3 LEU 91 3.916 -6.613 -2.942 658 HG LEU 91 HG LEU 91 2.221 -4.982 -3.075 659 HD11 LEU 91 HD11 LEU 91 3.798 -5.469 -5.236 660 HD12 LEU 91 HD12 LEU 91 2.757 -4.057 -5.041 661 HD13 LEU 91 HD13 LEU 91 2.194 -5.446 -5.971 662 HD21 LEU 91 HD21 LEU 91 0.676 -7.141 -4.434 663 HD22 LEU 91 HD22 LEU 91 0.292 -5.460 -4.801 664 HD23 LEU 91 HD23 LEU 91 0.193 -6.044 -3.139 665 H LEU 92 H LEU 92 4.844 -9.721 -3.340 666 HA LEU 92 HA LEU 92 7.360 -8.495 -3.517 667 HB2 LEU 92 HB2 LEU 92 6.569 -11.378 -3.198 668 HB3 LEU 92 HB3 LEU 92 8.251 -10.874 -3.212 669 HG LEU 92 HG LEU 92 6.190 -9.878 -1.242 670 HD11 LEU 92 HD11 LEU 92 6.910 -11.455 0.297 671 HD12 LEU 92 HD12 LEU 92 8.394 -11.796 -0.593 672 HD13 LEU 92 HD13 LEU 92 6.847 -12.383 -1.203 673 HD21 LEU 92 HD21 LEU 92 8.787 -9.644 -0.236 674 HD22 LEU 92 HD22 LEU 92 7.730 -8.341 -0.780 675 HD23 LEU 92 HD23 LEU 92 8.877 -9.073 -1.902 676 H GLN 93 H GLN 93 5.689 -10.675 -5.676 677 HA GLN 93 HA GLN 93 7.727 -11.229 -7.505 678 HB2 GLN 93 HB2 GLN 93 5.810 -12.516 -7.752 679 HB3 GLN 93 HB3 GLN 93 4.738 -11.139 -7.572 680 HG2 GLN 93 HG2 GLN 93 5.591 -10.393 -9.855 681 HG3 GLN 93 HG3 GLN 93 6.260 -12.018 -9.996 682 HE21 GLN 93 HE21 GLN 93 3.237 -10.988 -8.468 683 HE22 GLN 93 HE22 GLN 93 2.202 -11.891 -9.522 684 H VAL 94 H VAL 94 5.350 -8.596 -7.432 685 HA VAL 94 HA VAL 94 6.286 -7.287 -9.784 686 HB VAL 94 HB VAL 94 4.608 -6.218 -7.502 687 HG11 VAL 94 HG11 VAL 94 4.548 -5.072 -10.252 688 HG12 VAL 94 HG12 VAL 94 5.841 -4.597 -9.152 689 HG13 VAL 94 HG13 VAL 94 4.158 -4.319 -8.707 690 HG21 VAL 94 HG21 VAL 94 2.939 -7.423 -8.335 691 HG22 VAL 94 HG22 VAL 94 4.019 -8.093 -9.557 692 HG23 VAL 94 HG23 VAL 94 3.123 -6.610 -9.889 693 H LEU 95 H LEU 95 6.900 -6.910 -6.335 694 HA LEU 95 HA LEU 95 8.343 -4.523 -6.316 695 HB2 LEU 95 HB2 LEU 95 8.115 -6.890 -4.556 696 HB3 LEU 95 HB3 LEU 95 9.548 -5.913 -4.332 697 HG LEU 95 HG LEU 95 8.332 -4.070 -3.570 698 HD11 LEU 95 HD11 LEU 95 6.092 -5.252 -5.115 699 HD12 LEU 95 HD12 LEU 95 6.644 -3.579 -5.015 700 HD13 LEU 95 HD13 LEU 95 5.701 -4.276 -3.700 701 HD21 LEU 95 HD21 LEU 95 6.754 -6.456 -2.625 702 HD22 LEU 95 HD22 LEU 95 6.928 -4.910 -1.796 703 HD23 LEU 95 HD23 LEU 95 8.326 -5.965 -1.995 704 H GLN 96 H GLN 96 9.427 -7.835 -6.906 705 HA GLN 96 HA GLN 96 12.197 -7.310 -6.958 706 HB2 GLN 96 HB2 GLN 96 10.541 -9.468 -8.269 707 HB3 GLN 96 HB3 GLN 96 12.298 -9.435 -8.332 708 HG2 GLN 96 HG2 GLN 96 12.386 -9.552 -5.891 709 HG3 GLN 96 HG3 GLN 96 10.624 -9.595 -5.836 710 HE21 GLN 96 HE21 GLN 96 10.100 -11.569 -5.200 711 HE22 GLN 96 HE22 GLN 96 10.691 -13.040 -5.884 712 H GLU 97 H GLU 97 9.718 -7.171 -9.452 713 HA GLU 97 HA GLU 97 11.402 -6.848 -11.684 714 HB2 GLU 97 HB2 GLU 97 8.547 -6.010 -11.173 715 HB3 GLU 97 HB3 GLU 97 9.335 -5.813 -12.735 716 HG2 GLU 97 HG2 GLU 97 8.888 -8.425 -11.297 717 HG3 GLU 97 HG3 GLU 97 7.964 -7.822 -12.671 718 H MET 98 H MET 98 9.947 -4.459 -9.489 719 HA MET 98 HA MET 98 11.180 -2.289 -10.989 720 HB2 MET 98 HB2 MET 98 9.346 -2.318 -8.602 721 HB3 MET 98 HB3 MET 98 10.080 -0.846 -9.220 722 HG2 MET 98 HG2 MET 98 8.242 -2.680 -10.742 723 HG3 MET 98 HG3 MET 98 7.817 -1.116 -10.050 724 HE1 MET 98 HE1 MET 98 8.962 0.975 -10.530 725 HE2 MET 98 HE2 MET 98 9.350 1.488 -12.174 726 HE3 MET 98 HE3 MET 98 10.603 0.787 -11.147 727 H GLY 99 H GLY 99 12.080 -4.310 -8.434 728 HA2 GLY 99 HA2 GLY 99 14.061 -4.315 -7.227 729 HA3 GLY 99 HA3 GLY 99 14.511 -2.827 -8.043 730 H HIS 100 H HIS 100 11.628 -3.433 -6.098 731 HA HIS 100 HA HIS 100 12.033 -1.044 -4.573 732 HB2 HIS 100 HB2 HIS 100 9.984 -3.206 -4.668 733 HB3 HIS 100 HB3 HIS 100 10.045 -2.179 -3.241 734 HD2 HIS 100 HD2 HIS 100 8.491 -0.030 -3.480 735 HE1 HIS 100 HE1 HIS 100 8.452 0.302 -7.679 736 H ARG 101 H ARG 101 14.099 -1.485 -3.656 737 HA ARG 101 HA ARG 101 14.692 -3.622 -1.939 738 HB2 ARG 101 HB2 ARG 101 15.802 -0.832 -2.165 739 HB3 ARG 101 HB3 ARG 101 16.487 -2.046 -1.087 740 HG2 ARG 101 HG2 ARG 101 17.020 -3.474 -2.951 741 HG3 ARG 101 HG3 ARG 101 16.208 -2.375 -4.069 742 HD2 ARG 101 HD2 ARG 101 17.833 -0.634 -3.557 743 HD3 ARG 101 HD3 ARG 101 18.624 -1.697 -2.395 744 HE ARG 101 HE ARG 101 19.644 -2.801 -4.130 745 HH11 ARG 101 HH11 ARG 101 20.287 -3.075 -6.298 746 HH12 ARG 101 HH12 ARG 101 19.414 -2.271 -7.559 747 HH21 ARG 101 HH21 ARG 101 17.134 -0.735 -5.390 748 HH22 ARG 101 HH22 ARG 101 17.616 -0.938 -7.043 749 H ARG 102 H ARG 102 13.394 -0.387 -1.215 750 HA ARG 102 HA ARG 102 13.523 -0.586 1.590 751 HB2 ARG 102 HB2 ARG 102 13.142 1.548 0.410 752 HB3 ARG 102 HB3 ARG 102 11.546 0.987 -0.073 753 HG2 ARG 102 HG2 ARG 102 11.227 2.416 1.779 754 HG3 ARG 102 HG3 ARG 102 10.997 0.764 2.370 755 HD2 ARG 102 HD2 ARG 102 12.326 2.073 3.939 756 HD3 ARG 102 HD3 ARG 102 13.274 0.757 3.252 757 HE ARG 102 HE ARG 102 14.637 2.303 2.224 758 HH11 ARG 102 HH11 ARG 102 15.474 4.393 1.887 759 HH12 ARG 102 HH12 ARG 102 14.531 5.776 2.332 760 HH21 ARG 102 HH21 ARG 102 11.821 3.902 3.515 761 HH22 ARG 102 HH22 ARG 102 12.448 5.496 3.262 762 H ALA 103 H ALA 103 11.020 -1.472 -0.716 763 HA ALA 103 HA ALA 103 8.996 -2.142 1.119 764 HB1 ALA 103 HB1 ALA 103 7.898 -3.214 -0.683 765 HB2 ALA 103 HB2 ALA 103 9.411 -3.483 -1.546 766 HB3 ALA 103 HB3 ALA 103 8.766 -1.849 -1.386 767 H ILE 104 H ILE 104 11.665 -3.996 -0.256 768 HA ILE 104 HA ILE 104 10.976 -6.521 0.771 769 HB ILE 104 HB ILE 104 13.660 -5.349 0.029 770 HG12 ILE 104 HG12 ILE 104 11.984 -7.434 -1.383 771 HG13 ILE 104 HG13 ILE 104 11.902 -5.713 -1.748 772 HG21 ILE 104 HG21 ILE 104 13.765 -8.168 -0.061 773 HG22 ILE 104 HG22 ILE 104 13.131 -7.729 1.524 774 HG23 ILE 104 HG23 ILE 104 14.680 -7.079 0.982 775 HD11 ILE 104 HD11 ILE 104 13.532 -7.527 -2.971 776 HD12 ILE 104 HD12 ILE 104 14.613 -6.778 -1.794 777 HD13 ILE 104 HD13 ILE 104 13.760 -5.779 -2.971 778 H HIS 105 H HIS 105 12.949 -3.891 2.127 779 HA HIS 105 HA HIS 105 13.793 -5.262 4.436 780 HB2 HIS 105 HB2 HIS 105 13.493 -2.332 3.811 781 HB3 HIS 105 HB3 HIS 105 14.052 -2.889 5.384 782 HD2 HIS 105 HD2 HIS 105 15.462 -1.979 2.027 783 HE1 HIS 105 HE1 HIS 105 18.433 -4.331 3.872 784 H LEU 106 H LEU 106 10.916 -3.240 3.858 785 HA LEU 106 HA LEU 106 10.033 -3.541 6.591 786 HB2 LEU 106 HB2 LEU 106 9.395 -1.855 4.418 787 HB3 LEU 106 HB3 LEU 106 7.918 -2.683 4.870 788 HG LEU 106 HG LEU 106 7.763 -0.833 6.207 789 HD11 LEU 106 HD11 LEU 106 9.531 -2.176 8.168 790 HD12 LEU 106 HD12 LEU 106 8.148 -3.081 7.550 791 HD13 LEU 106 HD13 LEU 106 7.901 -1.533 8.360 792 HD21 LEU 106 HD21 LEU 106 9.447 0.612 6.136 793 HD22 LEU 106 HD22 LEU 106 10.596 -0.664 5.726 794 HD23 LEU 106 HD23 LEU 106 10.227 -0.321 7.415 795 H ILE 107 H ILE 107 9.561 -5.284 3.640 796 HA ILE 107 HA ILE 107 7.085 -6.498 4.233 797 HB ILE 107 HB ILE 107 8.532 -6.455 2.012 798 HG12 ILE 107 HG12 ILE 107 7.203 -8.700 1.445 799 HG13 ILE 107 HG13 ILE 107 6.441 -8.319 2.988 800 HG21 ILE 107 HG21 ILE 107 9.540 -8.602 1.495 801 HG22 ILE 107 HG22 ILE 107 9.182 -9.184 3.120 802 HG23 ILE 107 HG23 ILE 107 10.337 -7.870 2.889 803 HD11 ILE 107 HD11 ILE 107 5.196 -7.418 1.087 804 HD12 ILE 107 HD12 ILE 107 6.604 -6.465 0.622 805 HD13 ILE 107 HD13 ILE 107 5.786 -6.141 2.151 806 H THR 108 H THR 108 10.220 -7.009 5.494 807 HA THR 108 HA THR 108 9.958 -9.732 6.276 808 HB THR 108 HB THR 108 11.902 -9.339 7.709 809 HG1 THR 108 HG1 THR 108 11.953 -6.625 6.892 810 HG21 THR 108 HG21 THR 108 11.997 -8.159 4.939 811 HG22 THR 108 HG22 THR 108 12.483 -9.773 5.462 812 HG23 THR 108 HG23 THR 108 13.444 -8.368 5.925 813 H ASN 109 H ASN 109 8.383 -6.989 7.372 814 HA ASN 109 HA ASN 109 8.322 -7.480 10.172 815 HB2 ASN 109 HB2 ASN 109 7.675 -5.330 8.925 816 HB3 ASN 109 HB3 ASN 109 6.124 -6.110 8.630 817 HD21 ASN 109 HD21 ASN 109 4.862 -4.827 9.870 818 HD22 ASN 109 HD22 ASN 109 5.010 -4.694 11.587 819 H TYR 110 H TYR 110 6.562 -8.816 7.471 820 HA TYR 110 HA TYR 110 4.762 -10.195 9.334 821 HB2 TYR 110 HB2 TYR 110 4.005 -8.910 7.128 822 HB3 TYR 110 HB3 TYR 110 4.436 -10.439 6.372 823 HD1 TYR 110 HD1 TYR 110 3.360 -11.298 9.569 824 HD2 TYR 110 HD2 TYR 110 1.814 -9.909 5.846 825 HE1 TYR 110 HE1 TYR 110 1.156 -12.197 10.151 826 HE2 TYR 110 HE2 TYR 110 -0.390 -10.814 6.430 827 HH TYR 110 HH TYR 110 -0.964 -13.022 8.595 828 H GLY 111 H GLY 111 5.663 -12.017 10.050 829 HA2 GLY 111 HA2 GLY 111 7.723 -13.450 8.794 830 HA3 GLY 111 HA3 GLY 111 6.728 -14.046 10.108 831 H ALA 112 H ALA 112 4.224 -14.020 8.742 832 HA ALA 112 HA ALA 112 4.707 -16.017 6.634 833 HB1 ALA 112 HB1 ALA 112 2.541 -16.197 8.724 834 HB2 ALA 112 HB2 ALA 112 4.051 -17.105 8.761 835 HB3 ALA 112 HB3 ALA 112 2.893 -17.374 7.460 836 H VAL 113 H VAL 113 3.185 -16.093 4.951 837 HA VAL 113 HA VAL 113 1.639 -13.627 4.675 838 HB VAL 113 HB VAL 113 2.326 -15.708 2.588 839 HG11 VAL 113 HG11 VAL 113 1.316 -12.927 2.067 840 HG12 VAL 113 HG12 VAL 113 0.222 -14.297 2.264 841 HG13 VAL 113 HG13 VAL 113 1.406 -14.296 0.957 842 HG21 VAL 113 HG21 VAL 113 3.863 -13.932 1.727 843 HG22 VAL 113 HG22 VAL 113 4.335 -14.614 3.285 844 HG23 VAL 113 HG23 VAL 113 3.563 -13.029 3.215 845 H LEU 114 H LEU 114 -0.472 -13.641 5.024 846 HA LEU 114 HA LEU 114 -1.906 -16.206 4.933 847 HB2 LEU 114 HB2 LEU 114 -1.934 -15.102 7.111 848 HB3 LEU 114 HB3 LEU 114 -2.562 -13.636 6.383 849 HG LEU 114 HG LEU 114 -4.644 -14.838 5.799 850 HD11 LEU 114 HD11 LEU 114 -3.069 -17.120 6.665 851 HD12 LEU 114 HD12 LEU 114 -4.544 -17.062 5.700 852 HD13 LEU 114 HD13 LEU 114 -4.642 -17.043 7.460 853 HD21 LEU 114 HD21 LEU 114 -4.351 -13.558 7.925 854 HD22 LEU 114 HD22 LEU 114 -3.991 -15.087 8.727 855 HD23 LEU 114 HD23 LEU 114 -5.573 -14.829 7.994 856 H SER 115 H SER 115 -3.367 -16.513 3.367 857 HA SER 115 HA SER 115 -4.230 -14.165 1.820 858 HB2 SER 115 HB2 SER 115 -4.100 -17.069 0.962 859 HB3 SER 115 HB3 SER 115 -4.603 -15.717 -0.052 860 HG SER 115 HG SER 115 -2.082 -15.727 1.212 861 HA PRO 116 HA PRO 116 -8.175 -15.276 3.747 862 HB2 PRO 116 HB2 PRO 116 -9.377 -12.903 3.325 863 HB3 PRO 116 HB3 PRO 116 -8.184 -13.133 4.610 864 HG2 PRO 116 HG2 PRO 116 -7.824 -11.939 1.884 865 HG3 PRO 116 HG3 PRO 116 -7.223 -11.354 3.447 866 HD2 PRO 116 HD2 PRO 116 -5.680 -12.748 1.700 867 HD3 PRO 116 HD3 PRO 116 -5.452 -12.825 3.459 868 H SER 117 H SER 117 -10.330 -15.570 2.950 869 HA SER 117 HA SER 117 -10.483 -16.383 0.256 870 HB2 SER 117 HB2 SER 117 -12.710 -15.833 2.239 871 HB3 SER 117 HB3 SER 117 -12.900 -16.697 0.712 872 HG SER 117 HG SER 117 -12.580 -18.275 2.175 873 H GLU 118 H GLU 118 -11.281 -15.404 -1.555 874 HA GLU 118 HA GLU 118 -12.177 -12.611 -1.267 875 HB2 GLU 118 HB2 GLU 118 -10.433 -13.798 -3.436 876 HB3 GLU 118 HB3 GLU 118 -11.069 -12.162 -3.447 877 HG2 GLU 118 HG2 GLU 118 -9.807 -11.634 -1.438 878 HG3 GLU 118 HG3 GLU 118 -9.200 -13.288 -1.369 879 H LYS 119 H LYS 119 -14.001 -12.048 -2.320 880 HA LYS 119 HA LYS 119 -15.721 -14.026 -3.363 881 HB2 LYS 119 HB2 LYS 119 -15.822 -11.012 -3.465 882 HB3 LYS 119 HB3 LYS 119 -17.100 -12.034 -4.108 883 HG2 LYS 119 HG2 LYS 119 -17.533 -12.955 -1.928 884 HG3 LYS 119 HG3 LYS 119 -16.161 -12.082 -1.248 885 HD2 LYS 119 HD2 LYS 119 -18.149 -10.883 -0.675 886 HD3 LYS 119 HD3 LYS 119 -17.293 -9.950 -1.904 887 HE2 LYS 119 HE2 LYS 119 -18.786 -10.794 -3.621 888 HE3 LYS 119 HE3 LYS 119 -19.605 -11.812 -2.439 889 HZ1 LYS 119 HZ1 LYS 119 -19.514 -8.845 -2.348 890 HZ2 LYS 119 HZ2 LYS 119 -20.374 -9.854 -1.297 891 HZ3 LYS 119 HZ3 LYS 119 -20.819 -9.755 -2.925 892 H SER 120 H SER 120 -13.638 -11.642 -4.899 893 HA SER 120 HA SER 120 -12.870 -11.371 -7.015 894 HB2 SER 120 HB2 SER 120 -12.384 -13.880 -6.601 895 HB3 SER 120 HB3 SER 120 -13.755 -14.174 -7.671 896 HG SER 120 HG SER 120 -11.326 -13.787 -8.423 897 H TYR 121 H TYR 121 -13.859 -12.630 -9.425 898 HA TYR 121 HA TYR 121 -15.305 -12.169 -11.112 899 HB2 TYR 121 HB2 TYR 121 -17.317 -12.485 -8.874 900 HB3 TYR 121 HB3 TYR 121 -17.731 -12.432 -10.585 901 HD1 TYR 121 HD1 TYR 121 -16.361 -14.458 -7.883 902 HD2 TYR 121 HD2 TYR 121 -17.092 -14.288 -12.072 903 HE1 TYR 121 HE1 TYR 121 -16.014 -16.886 -8.037 904 HE2 TYR 121 HE2 TYR 121 -16.746 -16.716 -12.236 905 HH TYR 121 HH TYR 121 -15.226 -18.492 -10.311 906 H GLN 122 H GLN 122 -17.974 -10.769 -9.884 907 HA GLN 122 HA GLN 122 -18.878 -8.697 -9.995 908 HB2 GLN 122 HB2 GLN 122 -16.181 -7.960 -8.849 909 HB3 GLN 122 HB3 GLN 122 -17.543 -6.854 -8.948 910 HG2 GLN 122 HG2 GLN 122 -18.854 -8.343 -7.515 911 HG3 GLN 122 HG3 GLN 122 -17.478 -9.441 -7.409 912 HE21 GLN 122 HE21 GLN 122 -16.853 -9.303 -5.359 913 HE22 GLN 122 HE22 GLN 122 -16.457 -7.841 -4.530 914 H GLU 123 H GLU 123 -16.166 -6.738 -10.415 915 HA GLU 123 HA GLU 123 -16.534 -6.720 -13.335 916 HB2 GLU 123 HB2 GLU 123 -16.290 -4.345 -11.479 917 HB3 GLU 123 HB3 GLU 123 -16.174 -4.233 -13.227 918 HG2 GLU 123 HG2 GLU 123 -18.450 -5.044 -13.456 919 HG3 GLU 123 HG3 GLU 123 -18.572 -5.234 -11.709 920 H GLY 124 H GLY 124 -14.704 -6.383 -14.579 921 HA2 GLY 124 HA2 GLY 124 -12.235 -5.432 -13.675 922 HA3 GLY 124 HA3 GLY 124 -12.234 -7.179 -13.476 Start of MODEL 9 1 H1 SER 1 HT1 SER 1 4.537 11.489 -20.630 2 H2 SER 1 HT2 SER 1 5.188 11.819 -19.102 3 H3 SER 1 HT3 SER 1 4.101 12.904 -19.811 4 HA SER 1 HA SER 1 2.347 11.234 -19.716 5 HB2 SER 1 HB2 SER 1 3.555 9.488 -17.782 6 HB3 SER 1 HB3 SER 1 2.861 9.081 -19.354 7 HG SER 1 HG SER 1 5.223 10.253 -19.732 8 H GLU 2 H GLU 2 4.296 13.158 -17.941 9 HA GLU 2 HA GLU 2 2.479 13.105 -15.618 10 HB2 GLU 2 HB2 GLU 2 5.409 13.865 -15.697 11 HB3 GLU 2 HB3 GLU 2 4.369 14.042 -14.293 12 HG2 GLU 2 HG2 GLU 2 4.032 11.626 -14.226 13 HG3 GLU 2 HG3 GLU 2 5.054 11.441 -15.649 14 H PHE 3 H PHE 3 1.492 14.982 -15.066 15 HA PHE 3 HA PHE 3 2.039 17.306 -16.782 16 HB2 PHE 3 HB2 PHE 3 -0.408 16.620 -15.140 17 HB3 PHE 3 HB3 PHE 3 -0.223 18.078 -16.110 18 HD1 PHE 3 HD1 PHE 3 -1.046 14.568 -16.114 19 HD2 PHE 3 HD2 PHE 3 -0.044 17.885 -18.587 20 HE1 PHE 3 HE1 PHE 3 -1.929 13.370 -18.072 21 HE2 PHE 3 HE2 PHE 3 -0.927 16.693 -20.550 22 HZ PHE 3 HZ PHE 3 -1.871 14.433 -20.293 23 H GLY 4 H GLY 4 3.066 16.294 -13.918 24 HA2 GLY 4 HA2 GLY 4 4.117 17.430 -12.198 25 HA3 GLY 4 HA3 GLY 4 3.689 18.936 -12.997 26 H SER 5 H SER 5 3.197 19.839 -10.939 27 HA SER 5 HA SER 5 1.853 20.476 -9.221 28 HB2 SER 5 HB2 SER 5 -0.306 19.255 -10.955 29 HB3 SER 5 HB3 SER 5 -0.577 20.358 -9.607 30 HG SER 5 HG SER 5 0.453 20.866 -12.154 31 H MET 6 H MET 6 3.180 18.165 -8.671 32 HA MET 6 HA MET 6 1.192 16.623 -7.144 33 HB2 MET 6 HB2 MET 6 3.643 15.606 -8.588 34 HB3 MET 6 HB3 MET 6 2.728 14.650 -7.429 35 HG2 MET 6 HG2 MET 6 0.743 14.830 -8.836 36 HG3 MET 6 HG3 MET 6 1.650 15.803 -9.995 37 HE1 MET 6 HE1 MET 6 3.285 15.165 -11.461 38 HE2 MET 6 HE2 MET 6 3.637 13.537 -12.038 39 HE3 MET 6 HE3 MET 6 4.485 14.176 -10.630 40 H ALA 7 H ALA 7 1.791 15.920 -5.096 41 HA ALA 7 HA ALA 7 4.383 16.688 -4.019 42 HB1 ALA 7 HB1 ALA 7 3.706 18.363 -2.684 43 HB2 ALA 7 HB2 ALA 7 2.207 17.537 -2.256 44 HB3 ALA 7 HB3 ALA 7 2.308 18.460 -3.755 45 H GLY 8 H GLY 8 4.705 15.787 -1.808 46 HA2 GLY 8 HA2 GLY 8 2.812 13.792 -0.913 47 HA3 GLY 8 HA3 GLY 8 4.284 13.125 -1.599 48 H ASN 9 H ASN 9 4.005 12.318 0.799 49 HA ASN 9 HA ASN 9 5.981 13.796 2.340 50 HB2 ASN 9 HB2 ASN 9 4.599 13.683 4.418 51 HB3 ASN 9 HB3 ASN 9 3.943 14.770 3.201 52 HD21 ASN 9 HD21 ASN 9 1.833 14.668 3.061 53 HD22 ASN 9 HD22 ASN 9 0.856 13.263 3.296 54 H CYS 10 H CYS 10 6.248 12.423 4.564 55 HA CYS 10 HA CYS 10 6.488 9.620 3.684 56 HB2 CYS 10 HB2 CYS 10 8.263 11.169 5.585 57 HB3 CYS 10 HB3 CYS 10 8.444 9.463 5.195 58 HG CYS 10 HG CYS 10 8.764 10.181 2.358 59 H GLY 11 H GLY 11 6.100 7.968 5.192 60 HA2 GLY 11 HA2 GLY 11 4.438 8.824 7.473 61 HA3 GLY 11 HA3 GLY 11 4.275 7.289 6.631 62 H ALA 12 H ALA 12 4.761 8.023 9.506 63 HA ALA 12 HA ALA 12 7.371 7.329 10.276 64 HB1 ALA 12 HB1 ALA 12 6.434 6.985 12.505 65 HB2 ALA 12 HB2 ALA 12 4.805 7.024 11.829 66 HB3 ALA 12 HB3 ALA 12 5.820 8.465 11.770 67 H ARG 13 H ARG 13 4.492 5.346 9.780 68 HA ARG 13 HA ARG 13 4.181 3.125 9.456 69 HB2 ARG 13 HB2 ARG 13 7.009 3.495 8.776 70 HB3 ARG 13 HB3 ARG 13 6.622 1.866 9.311 71 HG2 ARG 13 HG2 ARG 13 5.659 1.377 7.372 72 HG3 ARG 13 HG3 ARG 13 4.662 2.833 7.425 73 HD2 ARG 13 HD2 ARG 13 6.085 2.833 5.451 74 HD3 ARG 13 HD3 ARG 13 6.525 4.144 6.541 75 HE ARG 13 HE ARG 13 8.044 1.627 6.279 76 HH11 ARG 13 HH11 ARG 13 10.304 1.863 6.445 77 HH12 ARG 13 HH12 ARG 13 10.981 3.423 6.768 78 HH21 ARG 13 HH21 ARG 13 7.893 5.062 6.910 79 HH22 ARG 13 HH22 ARG 13 9.611 5.240 7.032 80 H GLY 14 H GLY 14 7.277 2.694 11.119 81 HA2 GLY 14 HA2 GLY 14 7.553 2.284 13.453 82 HA3 GLY 14 HA3 GLY 14 5.837 1.921 13.562 83 H ALA 15 H ALA 15 7.994 0.351 14.602 84 HA ALA 15 HA ALA 15 8.621 -1.865 12.981 85 HB1 ALA 15 HB1 ALA 15 9.885 -1.304 14.992 86 HB2 ALA 15 HB2 ALA 15 9.293 -2.964 15.056 87 HB3 ALA 15 HB3 ALA 15 8.488 -1.705 15.990 88 H LEU 16 H LEU 16 5.971 -1.290 15.248 89 HA LEU 16 HA LEU 16 4.891 -3.943 14.892 90 HB2 LEU 16 HB2 LEU 16 3.715 -1.516 16.254 91 HB3 LEU 16 HB3 LEU 16 3.043 -3.134 16.310 92 HG LEU 16 HG LEU 16 5.728 -2.327 17.438 93 HD11 LEU 16 HD11 LEU 16 3.162 -3.015 18.864 94 HD12 LEU 16 HD12 LEU 16 3.811 -1.387 18.670 95 HD13 LEU 16 HD13 LEU 16 4.701 -2.585 19.611 96 HD21 LEU 16 HD21 LEU 16 5.404 -4.620 18.575 97 HD22 LEU 16 HD22 LEU 16 5.950 -4.579 16.900 98 HD23 LEU 16 HD23 LEU 16 4.263 -4.936 17.269 99 H SER 17 H SER 17 3.022 -4.492 13.748 100 HA SER 17 HA SER 17 2.472 -2.778 11.495 101 HB2 SER 17 HB2 SER 17 0.915 -4.690 10.866 102 HB3 SER 17 HB3 SER 17 2.626 -5.099 11.005 103 HG SER 17 HG SER 17 0.805 -5.416 13.151 104 H ALA 18 H ALA 18 1.145 -1.105 11.765 105 HA ALA 18 HA ALA 18 -1.132 -1.278 13.572 106 HB1 ALA 18 HB1 ALA 18 -0.308 1.071 11.873 107 HB2 ALA 18 HB2 ALA 18 0.363 0.741 13.471 108 HB3 ALA 18 HB3 ALA 18 -1.358 1.077 13.290 109 H HIS 19 H HIS 19 -0.450 -1.890 10.369 110 HA HIS 19 HA HIS 19 -3.202 -1.383 9.480 111 HB2 HIS 19 HB2 HIS 19 -0.671 -1.781 7.875 112 HB3 HIS 19 HB3 HIS 19 -2.275 -1.595 7.172 113 HD2 HIS 19 HD2 HIS 19 -3.207 0.978 7.002 114 HE1 HIS 19 HE1 HIS 19 0.143 2.871 8.721 115 H THR 20 H THR 20 -2.084 -3.774 11.024 116 HA THR 20 HA THR 20 -2.090 -5.957 9.183 117 HB THR 20 HB THR 20 -0.852 -6.213 11.221 118 HG1 THR 20 HG1 THR 20 -1.698 -8.220 11.883 119 HG21 THR 20 HG21 THR 20 -3.391 -5.370 12.490 120 HG22 THR 20 HG22 THR 20 -1.722 -5.030 12.953 121 HG23 THR 20 HG23 THR 20 -2.446 -6.590 13.343 122 H LEU 21 H LEU 21 -3.715 -7.012 8.316 123 HA LEU 21 HA LEU 21 -6.149 -7.633 9.642 124 HB2 LEU 21 HB2 LEU 21 -6.115 -5.138 8.340 125 HB3 LEU 21 HB3 LEU 21 -6.989 -6.217 7.270 126 HG LEU 21 HG LEU 21 -7.971 -6.625 9.916 127 HD11 LEU 21 HD11 LEU 21 -7.079 -4.415 10.442 128 HD12 LEU 21 HD12 LEU 21 -8.844 -4.402 10.416 129 HD13 LEU 21 HD13 LEU 21 -7.936 -3.735 9.058 130 HD21 LEU 21 HD21 LEU 21 -9.362 -7.095 8.093 131 HD22 LEU 21 HD22 LEU 21 -9.073 -5.521 7.349 132 HD23 LEU 21 HD23 LEU 21 -10.054 -5.641 8.811 133 H LEU 22 H LEU 22 -7.775 -8.465 7.703 134 HA LEU 22 HA LEU 22 -6.232 -10.544 6.431 135 HB2 LEU 22 HB2 LEU 22 -8.902 -10.218 7.274 136 HB3 LEU 22 HB3 LEU 22 -8.960 -10.479 5.544 137 HG LEU 22 HG LEU 22 -9.169 -12.616 6.416 138 HD11 LEU 22 HD11 LEU 22 -7.535 -13.659 5.308 139 HD12 LEU 22 HD12 LEU 22 -6.272 -12.935 6.302 140 HD13 LEU 22 HD13 LEU 22 -6.945 -12.037 4.942 141 HD21 LEU 22 HD21 LEU 22 -8.757 -12.200 8.727 142 HD22 LEU 22 HD22 LEU 22 -7.056 -11.852 8.419 143 HD23 LEU 22 HD23 LEU 22 -7.670 -13.493 8.215 144 H PHE 23 H PHE 23 -8.571 -8.155 5.128 145 HA PHE 23 HA PHE 23 -7.753 -8.637 2.433 146 HB2 PHE 23 HB2 PHE 23 -9.471 -6.488 3.680 147 HB3 PHE 23 HB3 PHE 23 -9.135 -6.558 1.951 148 HD1 PHE 23 HD1 PHE 23 -11.026 -7.974 4.700 149 HD2 PHE 23 HD2 PHE 23 -9.975 -8.436 0.601 150 HE1 PHE 23 HE1 PHE 23 -12.897 -9.543 4.399 151 HE2 PHE 23 HE2 PHE 23 -11.845 -10.003 0.294 152 HZ PHE 23 HZ PHE 23 -13.309 -10.558 2.195 153 H ASP 24 H ASP 24 -6.998 -6.305 4.881 154 HA ASP 24 HA ASP 24 -5.020 -5.051 3.120 155 HB2 ASP 24 HB2 ASP 24 -5.030 -3.214 4.962 156 HB3 ASP 24 HB3 ASP 24 -6.318 -3.243 3.768 157 H LEU 25 H LEU 25 -3.768 -6.991 3.613 158 HA LEU 25 HA LEU 25 -2.794 -7.827 6.035 159 HB2 LEU 25 HB2 LEU 25 -1.306 -7.595 3.419 160 HB3 LEU 25 HB3 LEU 25 -0.753 -8.534 4.791 161 HG LEU 25 HG LEU 25 -3.320 -9.037 3.294 162 HD11 LEU 25 HD11 LEU 25 -2.279 -10.804 2.168 163 HD12 LEU 25 HD12 LEU 25 -0.849 -10.732 3.197 164 HD13 LEU 25 HD13 LEU 25 -1.162 -9.447 2.029 165 HD21 LEU 25 HD21 LEU 25 -3.872 -10.278 5.050 166 HD22 LEU 25 HD22 LEU 25 -2.314 -9.976 5.817 167 HD23 LEU 25 HD23 LEU 25 -2.493 -11.316 4.684 168 HA PRO 26 HA PRO 26 -0.224 -5.018 8.273 169 HB2 PRO 26 HB2 PRO 26 2.119 -6.641 7.425 170 HB3 PRO 26 HB3 PRO 26 1.639 -6.119 9.038 171 HG2 PRO 26 HG2 PRO 26 1.208 -8.639 7.992 172 HG3 PRO 26 HG3 PRO 26 0.328 -7.938 9.358 173 HD2 PRO 26 HD2 PRO 26 -0.668 -8.601 6.753 174 HD3 PRO 26 HD3 PRO 26 -1.554 -7.909 8.119 175 HA PRO 27 HA PRO 27 1.595 -1.820 5.869 176 HB2 PRO 27 HB2 PRO 27 3.996 -2.014 7.627 177 HB3 PRO 27 HB3 PRO 27 3.031 -0.599 7.172 178 HG2 PRO 27 HG2 PRO 27 2.745 -1.707 9.559 179 HG3 PRO 27 HG3 PRO 27 1.337 -1.107 8.663 180 HD2 PRO 27 HD2 PRO 27 2.251 -3.917 9.099 181 HD3 PRO 27 HD3 PRO 27 0.605 -3.267 8.992 182 H ALA 28 H ALA 28 3.159 -4.831 6.079 183 HA ALA 28 HA ALA 28 5.552 -4.431 4.732 184 HB1 ALA 28 HB1 ALA 28 3.762 -6.686 5.262 185 HB2 ALA 28 HB2 ALA 28 5.522 -6.593 5.338 186 HB3 ALA 28 HB3 ALA 28 4.720 -6.861 3.791 187 H LEU 29 H LEU 29 2.239 -4.691 3.470 188 HA LEU 29 HA LEU 29 3.355 -4.243 0.785 189 HB2 LEU 29 HB2 LEU 29 1.615 -6.161 1.514 190 HB3 LEU 29 HB3 LEU 29 0.490 -4.899 1.041 191 HG LEU 29 HG LEU 29 1.493 -4.777 -1.166 192 HD11 LEU 29 HD11 LEU 29 3.639 -5.353 -1.351 193 HD12 LEU 29 HD12 LEU 29 3.098 -7.030 -1.358 194 HD13 LEU 29 HD13 LEU 29 3.599 -6.272 0.151 195 HD21 LEU 29 HD21 LEU 29 1.219 -7.546 -1.424 196 HD22 LEU 29 HD22 LEU 29 -0.026 -6.320 -1.657 197 HD23 LEU 29 HD23 LEU 29 0.171 -7.090 -0.081 198 H LEU 30 H LEU 30 0.103 -3.465 2.029 199 HA LEU 30 HA LEU 30 -0.128 -1.119 0.514 200 HB2 LEU 30 HB2 LEU 30 -2.058 -2.372 1.343 201 HB3 LEU 30 HB3 LEU 30 -1.636 -1.955 2.991 202 HG LEU 30 HG LEU 30 -2.049 0.432 2.459 203 HD11 LEU 30 HD11 LEU 30 -3.446 0.808 0.354 204 HD12 LEU 30 HD12 LEU 30 -2.757 -0.712 -0.215 205 HD13 LEU 30 HD13 LEU 30 -1.701 0.648 0.169 206 HD21 LEU 30 HD21 LEU 30 -3.916 -1.644 2.837 207 HD22 LEU 30 HD22 LEU 30 -4.626 -0.519 1.680 208 HD23 LEU 30 HD23 LEU 30 -4.084 0.062 3.256 209 H GLY 31 H GLY 31 0.633 -1.466 3.995 210 HA2 GLY 31 HA2 GLY 31 0.577 1.272 4.604 211 HA3 GLY 31 HA3 GLY 31 1.455 0.056 5.511 212 H GLU 32 H GLU 32 3.460 -0.719 3.875 213 HA GLU 32 HA GLU 32 5.214 1.514 4.008 214 HB2 GLU 32 HB2 GLU 32 5.875 -0.850 4.419 215 HB3 GLU 32 HB3 GLU 32 5.718 -1.149 2.692 216 HG2 GLU 32 HG2 GLU 32 7.478 1.079 3.556 217 HG3 GLU 32 HG3 GLU 32 8.041 -0.571 3.808 218 H LEU 33 H LEU 33 3.721 -0.203 1.264 219 HA LEU 33 HA LEU 33 5.178 1.245 -0.677 220 HB2 LEU 33 HB2 LEU 33 2.542 -0.217 -0.965 221 HB3 LEU 33 HB3 LEU 33 3.477 0.467 -2.297 222 HG LEU 33 HG LEU 33 4.431 -1.721 -0.447 223 HD11 LEU 33 HD11 LEU 33 2.626 -2.421 -1.971 224 HD12 LEU 33 HD12 LEU 33 4.166 -3.204 -2.328 225 HD13 LEU 33 HD13 LEU 33 3.597 -1.875 -3.338 226 HD21 LEU 33 HD21 LEU 33 6.417 -0.842 -1.098 227 HD22 LEU 33 HD22 LEU 33 5.743 -0.109 -2.555 228 HD23 LEU 33 HD23 LEU 33 6.098 -1.835 -2.520 229 H CYS 34 H CYS 34 2.017 1.863 0.837 230 HA CYS 34 HA CYS 34 1.436 4.058 -0.898 231 HB2 CYS 34 HB2 CYS 34 -0.473 4.471 0.434 232 HB3 CYS 34 HB3 CYS 34 -0.271 2.723 0.419 233 HG CYS 34 HG CYS 34 1.134 2.893 2.994 234 H ALA 35 H ALA 35 3.158 3.755 2.139 235 HA ALA 35 HA ALA 35 3.138 6.612 2.605 236 HB1 ALA 35 HB1 ALA 35 5.037 5.277 4.259 237 HB2 ALA 35 HB2 ALA 35 3.554 4.326 4.194 238 HB3 ALA 35 HB3 ALA 35 3.496 6.013 4.703 239 H VAL 36 H VAL 36 5.728 4.212 2.009 240 HA VAL 36 HA VAL 36 7.781 6.141 1.843 241 HB VAL 36 HB VAL 36 7.676 3.279 0.886 242 HG11 VAL 36 HG11 VAL 36 10.128 5.027 1.090 243 HG12 VAL 36 HG12 VAL 36 9.320 4.627 -0.425 244 HG13 VAL 36 HG13 VAL 36 10.051 3.350 0.547 245 HG21 VAL 36 HG21 VAL 36 7.535 3.711 3.322 246 HG22 VAL 36 HG22 VAL 36 9.088 4.542 3.233 247 HG23 VAL 36 HG23 VAL 36 8.985 2.822 2.852 248 H LEU 37 H LEU 37 5.924 4.534 -0.759 249 HA LEU 37 HA LEU 37 7.426 5.854 -2.808 250 HB2 LEU 37 HB2 LEU 37 4.776 4.450 -3.005 251 HB3 LEU 37 HB3 LEU 37 5.732 4.982 -4.365 252 HG LEU 37 HG LEU 37 6.472 2.826 -2.383 253 HD11 LEU 37 HD11 LEU 37 5.535 2.809 -5.233 254 HD12 LEU 37 HD12 LEU 37 4.842 1.982 -3.836 255 HD13 LEU 37 HD13 LEU 37 6.386 1.449 -4.503 256 HD21 LEU 37 HD21 LEU 37 7.986 3.981 -4.726 257 HD22 LEU 37 HD22 LEU 37 8.383 2.443 -3.958 258 HD23 LEU 37 HD23 LEU 37 8.490 3.943 -3.037 259 H ASP 38 H ASP 38 4.785 6.812 -0.843 260 HA ASP 38 HA ASP 38 3.446 8.607 -2.517 261 HB2 ASP 38 HB2 ASP 38 2.609 7.968 -0.285 262 HB3 ASP 38 HB3 ASP 38 3.946 8.836 0.465 263 H SER 39 H SER 39 6.367 8.963 -0.602 264 HA SER 39 HA SER 39 6.676 11.745 -1.401 265 HB2 SER 39 HB2 SER 39 8.670 11.701 0.069 266 HB3 SER 39 HB3 SER 39 7.212 11.168 0.905 267 HG SER 39 HG SER 39 8.425 9.054 -0.224 268 H CYS 40 H CYS 40 7.047 9.103 -3.085 269 HA CYS 40 HA CYS 40 9.758 9.105 -3.910 270 HB2 CYS 40 HB2 CYS 40 8.138 7.219 -4.248 271 HB3 CYS 40 HB3 CYS 40 7.381 8.167 -5.528 272 HG CYS 40 HG CYS 40 10.187 6.364 -5.573 273 H ASP 41 H ASP 41 10.709 9.907 -5.774 274 HA ASP 41 HA ASP 41 9.240 11.959 -7.261 275 HB2 ASP 41 HB2 ASP 41 10.666 12.917 -5.317 276 HB3 ASP 41 HB3 ASP 41 12.048 12.502 -6.327 277 H GLY 42 H GLY 42 9.653 9.519 -8.265 278 HA2 GLY 42 HA2 GLY 42 10.285 8.828 -10.422 279 HA3 GLY 42 HA3 GLY 42 11.531 10.064 -10.431 280 H ALA 43 H ALA 43 12.089 8.804 -7.554 281 HA ALA 43 HA ALA 43 14.364 7.340 -8.332 282 HB1 ALA 43 HB1 ALA 43 12.917 7.391 -5.685 283 HB2 ALA 43 HB2 ALA 43 14.268 8.414 -6.175 284 HB3 ALA 43 HB3 ALA 43 14.510 6.682 -5.950 285 H LEU 44 H LEU 44 11.168 6.289 -7.252 286 HA LEU 44 HA LEU 44 11.784 3.588 -8.264 287 HB2 LEU 44 HB2 LEU 44 10.156 4.407 -5.848 288 HB3 LEU 44 HB3 LEU 44 9.900 2.869 -6.649 289 HG LEU 44 HG LEU 44 11.320 2.282 -4.918 290 HD11 LEU 44 HD11 LEU 44 12.190 1.663 -7.224 291 HD12 LEU 44 HD12 LEU 44 13.335 1.578 -5.886 292 HD13 LEU 44 HD13 LEU 44 13.381 2.945 -6.998 293 HD21 LEU 44 HD21 LEU 44 12.622 4.940 -5.381 294 HD22 LEU 44 HD22 LEU 44 13.444 3.669 -4.476 295 HD23 LEU 44 HD23 LEU 44 11.895 4.294 -3.910 296 H GLY 45 H GLY 45 9.537 6.217 -7.971 297 HA2 GLY 45 HA2 GLY 45 7.968 6.877 -9.570 298 HA3 GLY 45 HA3 GLY 45 8.099 5.291 -10.319 299 H TRP 46 H TRP 46 6.137 7.266 -8.467 300 HA TRP 46 HA TRP 46 4.897 5.530 -6.688 301 HB2 TRP 46 HB2 TRP 46 2.783 6.979 -7.204 302 HB3 TRP 46 HB3 TRP 46 4.204 7.741 -6.470 303 HD1 TRP 46 HD1 TRP 46 2.233 7.609 -9.750 304 HE1 TRP 46 HE1 TRP 46 2.935 9.603 -11.216 305 HE3 TRP 46 HE3 TRP 46 6.106 9.368 -6.922 306 HZ2 TRP 46 HZ2 TRP 46 4.870 11.655 -11.173 307 HZ3 TRP 46 HZ3 TRP 46 7.326 11.355 -7.702 308 HH2 TRP 46 HH2 TRP 46 6.722 12.474 -9.787 309 H ARG 47 H ARG 47 4.209 6.023 -10.137 310 HA ARG 47 HA ARG 47 2.241 3.902 -10.136 311 HB2 ARG 47 HB2 ARG 47 2.505 4.341 -12.744 312 HB3 ARG 47 HB3 ARG 47 1.518 5.365 -11.714 313 HG2 ARG 47 HG2 ARG 47 2.766 6.773 -13.133 314 HG3 ARG 47 HG3 ARG 47 3.485 6.913 -11.527 315 HD2 ARG 47 HD2 ARG 47 5.130 5.118 -12.325 316 HD3 ARG 47 HD3 ARG 47 4.529 5.464 -13.945 317 HE ARG 47 HE ARG 47 5.245 7.883 -12.741 318 HH11 ARG 47 HH11 ARG 47 7.205 8.916 -13.273 319 HH12 ARG 47 HH12 ARG 47 8.504 7.985 -13.941 320 HH21 ARG 47 HH21 ARG 47 6.739 4.960 -13.901 321 HH22 ARG 47 HH22 ARG 47 8.238 5.728 -14.302 322 H GLY 48 H GLY 48 5.507 3.828 -10.030 323 HA2 GLY 48 HA2 GLY 48 6.300 2.176 -12.143 324 HA3 GLY 48 HA3 GLY 48 7.092 2.263 -10.582 325 H LEU 49 H LEU 49 5.238 1.217 -8.877 326 HA LEU 49 HA LEU 49 5.419 -1.563 -9.502 327 HB2 LEU 49 HB2 LEU 49 4.005 -0.149 -7.242 328 HB3 LEU 49 HB3 LEU 49 4.209 -1.886 -7.359 329 HG LEU 49 HG LEU 49 6.447 0.132 -7.107 330 HD11 LEU 49 HD11 LEU 49 6.737 -0.772 -4.884 331 HD12 LEU 49 HD12 LEU 49 5.391 -1.884 -5.133 332 HD13 LEU 49 HD13 LEU 49 5.098 -0.146 -5.073 333 HD21 LEU 49 HD21 LEU 49 7.348 -1.650 -8.323 334 HD22 LEU 49 HD22 LEU 49 6.416 -2.853 -7.434 335 HD23 LEU 49 HD23 LEU 49 7.756 -2.019 -6.649 336 H ALA 50 H ALA 50 2.773 0.780 -9.343 337 HA ALA 50 HA ALA 50 0.651 -1.016 -9.758 338 HB1 ALA 50 HB1 ALA 50 0.193 1.166 -8.945 339 HB2 ALA 50 HB2 ALA 50 -0.598 1.003 -10.512 340 HB3 ALA 50 HB3 ALA 50 0.907 1.910 -10.375 341 H GLU 51 H GLU 51 2.569 0.846 -12.079 342 HA GLU 51 HA GLU 51 1.045 0.309 -14.354 343 HB2 GLU 51 HB2 GLU 51 2.736 2.078 -14.258 344 HB3 GLU 51 HB3 GLU 51 4.012 0.874 -14.121 345 HG2 GLU 51 HG2 GLU 51 3.481 0.050 -16.360 346 HG3 GLU 51 HG3 GLU 51 2.186 1.238 -16.491 347 H ARG 52 H ARG 52 3.842 -1.438 -13.005 348 HA ARG 52 HA ARG 52 3.972 -3.361 -15.084 349 HB2 ARG 52 HB2 ARG 52 5.025 -3.359 -12.259 350 HB3 ARG 52 HB3 ARG 52 5.285 -4.702 -13.363 351 HG2 ARG 52 HG2 ARG 52 6.512 -3.294 -14.875 352 HG3 ARG 52 HG3 ARG 52 6.133 -1.868 -13.907 353 HD2 ARG 52 HD2 ARG 52 7.426 -2.720 -12.060 354 HD3 ARG 52 HD3 ARG 52 7.711 -4.234 -12.918 355 HE ARG 52 HE ARG 52 9.360 -3.206 -14.136 356 HH11 ARG 52 HH11 ARG 52 10.816 -1.525 -14.619 357 HH12 ARG 52 HH12 ARG 52 10.479 0.082 -14.072 358 HH21 ARG 52 HH21 ARG 52 7.473 -0.775 -12.495 359 HH22 ARG 52 HH22 ARG 52 8.578 0.510 -12.861 360 H LEU 53 H LEU 53 2.309 -3.321 -11.959 361 HA LEU 53 HA LEU 53 1.460 -6.036 -12.096 362 HB2 LEU 53 HB2 LEU 53 1.642 -4.835 -9.976 363 HB3 LEU 53 HB3 LEU 53 0.362 -3.741 -10.470 364 HG LEU 53 HG LEU 53 -1.236 -5.620 -10.482 365 HD11 LEU 53 HD11 LEU 53 -0.362 -7.702 -9.202 366 HD12 LEU 53 HD12 LEU 53 1.220 -7.168 -9.768 367 HD13 LEU 53 HD13 LEU 53 -0.048 -7.552 -10.931 368 HD21 LEU 53 HD21 LEU 53 -0.525 -6.124 -7.835 369 HD22 LEU 53 HD22 LEU 53 -1.609 -4.863 -8.425 370 HD23 LEU 53 HD23 LEU 53 0.103 -4.512 -8.179 371 H SER 54 H SER 54 -0.178 -2.960 -12.872 372 HA SER 54 HA SER 54 -2.000 -4.465 -14.595 373 HB2 SER 54 HB2 SER 54 -2.956 -2.573 -12.433 374 HB3 SER 54 HB3 SER 54 -3.979 -3.276 -13.688 375 HG SER 54 HG SER 54 -2.602 -5.228 -12.485 376 H SER 55 H SER 55 -2.974 -3.209 -16.259 377 HA SER 55 HA SER 55 -2.134 -0.418 -16.445 378 HB2 SER 55 HB2 SER 55 -1.282 -0.720 -18.732 379 HB3 SER 55 HB3 SER 55 -0.371 -1.704 -17.587 380 HG SER 55 HG SER 55 -2.572 -2.923 -18.750 381 H SER 56 H SER 56 -3.348 0.832 -17.933 382 HA SER 56 HA SER 56 -5.504 -0.288 -19.441 383 HB2 SER 56 HB2 SER 56 -6.342 -0.271 -17.008 384 HB3 SER 56 HB3 SER 56 -6.342 1.486 -17.145 385 HG SER 56 HG SER 56 -8.323 0.093 -17.747 386 H TRP 57 H TRP 57 -7.012 1.734 -20.101 387 HA TRP 57 HA TRP 57 -5.152 3.618 -21.270 388 HB2 TRP 57 HB2 TRP 57 -8.135 3.239 -21.572 389 HB3 TRP 57 HB3 TRP 57 -7.235 4.508 -22.396 390 HD1 TRP 57 HD1 TRP 57 -4.799 1.996 -22.668 391 HE1 TRP 57 HE1 TRP 57 -5.045 0.550 -24.782 392 HE3 TRP 57 HE3 TRP 57 -9.627 3.156 -23.892 393 HZ2 TRP 57 HZ2 TRP 57 -7.022 -0.025 -26.710 394 HZ3 TRP 57 HZ3 TRP 57 -10.620 2.114 -25.886 395 HH2 TRP 57 HH2 TRP 57 -9.343 0.557 -27.267 396 H LEU 58 H LEU 58 -4.758 5.616 -20.607 397 HA LEU 58 HA LEU 58 -4.734 7.515 -19.370 398 HB2 LEU 58 HB2 LEU 58 -7.722 7.109 -19.334 399 HB3 LEU 58 HB3 LEU 58 -6.896 8.594 -18.907 400 HG LEU 58 HG LEU 58 -6.874 7.311 -21.643 401 HD11 LEU 58 HD11 LEU 58 -8.285 9.792 -20.674 402 HD12 LEU 58 HD12 LEU 58 -9.059 8.245 -21.020 403 HD13 LEU 58 HD13 LEU 58 -8.289 9.156 -22.319 404 HD21 LEU 58 HD21 LEU 58 -4.906 8.477 -21.655 405 HD22 LEU 58 HD22 LEU 58 -5.459 9.645 -20.457 406 HD23 LEU 58 HD23 LEU 58 -6.021 9.759 -22.125 407 H ASP 59 H ASP 59 -4.500 4.964 -17.959 408 HA ASP 59 HA ASP 59 -5.902 5.161 -15.485 409 HB2 ASP 59 HB2 ASP 59 -4.398 3.364 -14.704 410 HB3 ASP 59 HB3 ASP 59 -5.161 2.989 -16.241 411 H VAL 60 H VAL 60 -3.059 6.642 -16.677 412 HA VAL 60 HA VAL 60 -1.845 7.134 -14.136 413 HB VAL 60 HB VAL 60 -0.369 8.689 -15.325 414 HG11 VAL 60 HG11 VAL 60 0.412 6.487 -15.310 415 HG12 VAL 60 HG12 VAL 60 0.519 6.966 -17.005 416 HG13 VAL 60 HG13 VAL 60 -0.812 5.946 -16.457 417 HG21 VAL 60 HG21 VAL 60 -1.435 7.964 -17.982 418 HG22 VAL 60 HG22 VAL 60 -0.703 9.469 -17.424 419 HG23 VAL 60 HG23 VAL 60 -2.392 9.120 -17.053 420 H ASP 61 H ASP 61 -4.469 8.522 -15.765 421 HA ASP 61 HA ASP 61 -4.222 11.242 -15.084 422 HB2 ASP 61 HB2 ASP 61 -5.802 10.429 -16.776 423 HB3 ASP 61 HB3 ASP 61 -6.719 9.590 -15.530 424 H HIS 62 H HIS 62 -5.898 8.565 -13.421 425 HA HIS 62 HA HIS 62 -6.584 10.262 -11.223 426 HB2 HIS 62 HB2 HIS 62 -7.480 8.243 -10.179 427 HB3 HIS 62 HB3 HIS 62 -8.076 8.442 -11.811 428 HD2 HIS 62 HD2 HIS 62 -5.428 6.227 -9.931 429 HE1 HIS 62 HE1 HIS 62 -6.798 4.123 -13.319 430 H ILE 63 H ILE 63 -3.833 8.395 -12.052 431 HA ILE 63 HA ILE 63 -2.855 7.752 -9.492 432 HB ILE 63 HB ILE 63 -1.425 8.193 -12.105 433 HG12 ILE 63 HG12 ILE 63 -1.802 5.683 -10.466 434 HG13 ILE 63 HG13 ILE 63 -2.932 6.185 -11.718 435 HG21 ILE 63 HG21 ILE 63 0.581 8.160 -11.146 436 HG22 ILE 63 HG22 ILE 63 0.143 6.770 -10.149 437 HG23 ILE 63 HG23 ILE 63 -0.226 8.403 -9.595 438 HD11 ILE 63 HD11 ILE 63 -1.680 5.209 -13.253 439 HD12 ILE 63 HD12 ILE 63 -0.585 4.659 -11.986 440 HD13 ILE 63 HD13 ILE 63 -0.295 6.198 -12.796 441 H GLU 64 H GLU 64 -2.479 10.653 -11.482 442 HA GLU 64 HA GLU 64 -0.750 12.001 -9.671 443 HB2 GLU 64 HB2 GLU 64 -2.536 12.999 -11.893 444 HB3 GLU 64 HB3 GLU 64 -1.494 14.058 -10.952 445 HG2 GLU 64 HG2 GLU 64 0.467 12.929 -11.735 446 HG3 GLU 64 HG3 GLU 64 -0.507 11.692 -12.527 447 H LYS 65 H LYS 65 -4.220 11.737 -9.976 448 HA LYS 65 HA LYS 65 -5.009 13.922 -8.415 449 HB2 LYS 65 HB2 LYS 65 -6.349 11.314 -9.077 450 HB3 LYS 65 HB3 LYS 65 -7.149 12.584 -8.156 451 HG2 LYS 65 HG2 LYS 65 -6.888 14.126 -10.021 452 HG3 LYS 65 HG3 LYS 65 -6.037 12.885 -10.941 453 HD2 LYS 65 HD2 LYS 65 -8.033 11.486 -10.923 454 HD3 LYS 65 HD3 LYS 65 -8.883 12.686 -9.960 455 HE2 LYS 65 HE2 LYS 65 -8.657 14.310 -11.770 456 HE3 LYS 65 HE3 LYS 65 -7.781 13.119 -12.732 457 HZ1 LYS 65 HZ1 LYS 65 -10.277 12.093 -11.829 458 HZ2 LYS 65 HZ2 LYS 65 -9.677 12.223 -13.405 459 HZ3 LYS 65 HZ3 LYS 65 -10.493 13.528 -12.700 460 H GLU 66 H GLU 66 -4.563 10.499 -7.312 461 HA GLU 66 HA GLU 66 -5.217 11.413 -4.623 462 HB2 GLU 66 HB2 GLU 66 -4.490 8.570 -5.375 463 HB3 GLU 66 HB3 GLU 66 -5.241 9.138 -3.899 464 HG2 GLU 66 HG2 GLU 66 -6.502 9.269 -6.624 465 HG3 GLU 66 HG3 GLU 66 -6.856 8.073 -5.380 466 H VAL 67 H VAL 67 -2.383 11.352 -6.364 467 HA VAL 67 HA VAL 67 -0.540 10.283 -4.557 468 HB VAL 67 HB VAL 67 -0.078 11.112 -6.928 469 HG11 VAL 67 HG11 VAL 67 0.121 13.716 -5.445 470 HG12 VAL 67 HG12 VAL 67 -0.808 13.349 -6.902 471 HG13 VAL 67 HG13 VAL 67 0.954 13.423 -6.971 472 HG21 VAL 67 HG21 VAL 67 1.735 10.205 -5.787 473 HG22 VAL 67 HG22 VAL 67 1.775 11.517 -4.609 474 HG23 VAL 67 HG23 VAL 67 2.308 11.803 -6.266 475 H ASP 68 H ASP 68 -2.221 13.338 -4.505 476 HA ASP 68 HA ASP 68 -0.637 14.367 -2.290 477 HB2 ASP 68 HB2 ASP 68 -1.713 15.737 -4.233 478 HB3 ASP 68 HB3 ASP 68 -3.190 15.606 -3.282 479 H GLN 69 H GLN 69 -3.089 12.194 -2.628 480 HA GLN 69 HA GLN 69 -4.344 12.866 -0.053 481 HB2 GLN 69 HB2 GLN 69 -5.391 11.127 -2.293 482 HB3 GLN 69 HB3 GLN 69 -6.215 11.423 -0.770 483 HG2 GLN 69 HG2 GLN 69 -5.549 13.499 -2.846 484 HG3 GLN 69 HG3 GLN 69 -7.134 12.784 -2.564 485 HE21 GLN 69 HE21 GLN 69 -5.432 15.476 -2.076 486 HE22 GLN 69 HE22 GLN 69 -6.148 16.049 -0.613 487 H GLY 70 H GLY 70 -1.770 11.352 -0.584 488 HA2 GLY 70 HA2 GLY 70 -0.930 9.785 1.041 489 HA3 GLY 70 HA3 GLY 70 -2.509 9.024 1.061 490 H LYS 71 H LYS 71 -1.535 9.739 -2.084 491 HA LYS 71 HA LYS 71 -0.078 8.638 -3.589 492 HB2 LYS 71 HB2 LYS 71 1.123 7.180 -2.241 493 HB3 LYS 71 HB3 LYS 71 -0.326 6.381 -1.649 494 HG2 LYS 71 HG2 LYS 71 0.458 4.768 -3.052 495 HG3 LYS 71 HG3 LYS 71 -0.554 5.668 -4.184 496 HD2 LYS 71 HD2 LYS 71 1.346 5.604 -5.447 497 HD3 LYS 71 HD3 LYS 71 1.751 7.021 -4.468 498 HE2 LYS 71 HE2 LYS 71 2.647 4.184 -4.134 499 HE3 LYS 71 HE3 LYS 71 3.631 5.625 -4.394 500 HZ1 LYS 71 HZ1 LYS 71 3.256 4.535 -2.008 501 HZ2 LYS 71 HZ2 LYS 71 1.954 5.621 -2.021 502 HZ3 LYS 71 HZ3 LYS 71 3.530 6.195 -2.235 503 H SER 72 H SER 72 -0.662 7.594 -5.461 504 HA SER 72 HA SER 72 -3.363 6.427 -5.576 505 HB2 SER 72 HB2 SER 72 -3.081 8.875 -6.415 506 HB3 SER 72 HB3 SER 72 -2.326 8.120 -7.807 507 HG SER 72 HG SER 72 -4.530 8.322 -8.205 508 H GLY 73 H GLY 73 -0.066 6.511 -6.745 509 HA2 GLY 73 HA2 GLY 73 -0.350 4.816 -8.954 510 HA3 GLY 73 HA3 GLY 73 1.103 4.938 -7.963 511 H THR 74 H THR 74 0.842 3.807 -5.749 512 HA THR 74 HA THR 74 0.007 1.105 -6.332 513 HB THR 74 HB THR 74 1.329 2.140 -3.817 514 HG1 THR 74 HG1 THR 74 2.369 2.208 -6.155 515 HG21 THR 74 HG21 THR 74 1.881 -0.587 -4.691 516 HG22 THR 74 HG22 THR 74 0.177 -0.318 -4.322 517 HG23 THR 74 HG23 THR 74 1.407 0.014 -3.102 518 H ARG 75 H ARG 75 -0.889 3.707 -4.098 519 HA ARG 75 HA ARG 75 -2.562 2.202 -2.410 520 HB2 ARG 75 HB2 ARG 75 -1.719 4.523 -1.939 521 HB3 ARG 75 HB3 ARG 75 -2.895 5.123 -3.093 522 HG2 ARG 75 HG2 ARG 75 -4.711 4.238 -1.747 523 HG3 ARG 75 HG3 ARG 75 -3.549 3.589 -0.590 524 HD2 ARG 75 HD2 ARG 75 -2.753 5.872 -0.139 525 HD3 ARG 75 HD3 ARG 75 -3.962 6.501 -1.258 526 HE ARG 75 HE ARG 75 -4.410 5.513 1.425 527 HH11 ARG 75 HH11 ARG 75 -6.502 5.781 2.290 528 HH12 ARG 75 HH12 ARG 75 -7.805 6.246 1.250 529 HH21 ARG 75 HH21 ARG 75 -5.828 6.381 -1.637 530 HH22 ARG 75 HH22 ARG 75 -7.421 6.589 -0.991 531 H GLU 76 H GLU 76 -3.373 4.140 -5.296 532 HA GLU 76 HA GLU 76 -6.152 3.757 -5.130 533 HB2 GLU 76 HB2 GLU 76 -5.125 5.500 -6.547 534 HB3 GLU 76 HB3 GLU 76 -4.459 4.256 -7.593 535 HG2 GLU 76 HG2 GLU 76 -6.400 5.189 -8.623 536 HG3 GLU 76 HG3 GLU 76 -6.753 3.542 -8.125 537 H LEU 77 H LEU 77 -3.636 1.925 -6.816 538 HA LEU 77 HA LEU 77 -5.350 0.117 -8.123 539 HB2 LEU 77 HB2 LEU 77 -3.020 0.431 -8.769 540 HB3 LEU 77 HB3 LEU 77 -2.487 -0.230 -7.237 541 HG LEU 77 HG LEU 77 -3.449 -2.418 -7.852 542 HD11 LEU 77 HD11 LEU 77 -5.227 -1.910 -9.297 543 HD12 LEU 77 HD12 LEU 77 -4.022 -2.693 -10.319 544 HD13 LEU 77 HD13 LEU 77 -4.203 -0.940 -10.355 545 HD21 LEU 77 HD21 LEU 77 -1.825 -2.944 -9.646 546 HD22 LEU 77 HD22 LEU 77 -1.124 -2.024 -8.314 547 HD23 LEU 77 HD23 LEU 77 -1.521 -1.217 -9.830 548 H LEU 78 H LEU 78 -3.665 -0.126 -4.984 549 HA LEU 78 HA LEU 78 -4.618 -2.735 -4.410 550 HB2 LEU 78 HB2 LEU 78 -3.581 -0.579 -2.553 551 HB3 LEU 78 HB3 LEU 78 -3.914 -2.232 -2.055 552 HG LEU 78 HG LEU 78 -1.841 -1.350 -4.063 553 HD11 LEU 78 HD11 LEU 78 -1.621 -2.417 -1.261 554 HD12 LEU 78 HD12 LEU 78 -1.147 -0.821 -1.845 555 HD13 LEU 78 HD13 LEU 78 -0.264 -2.253 -2.377 556 HD21 LEU 78 HD21 LEU 78 -2.020 -3.412 -4.893 557 HD22 LEU 78 HD22 LEU 78 -3.088 -3.930 -3.589 558 HD23 LEU 78 HD23 LEU 78 -1.339 -3.977 -3.367 559 H TRP 79 H TRP 79 -5.864 0.481 -3.668 560 HA TRP 79 HA TRP 79 -8.020 -0.493 -2.038 561 HB2 TRP 79 HB2 TRP 79 -7.219 2.192 -3.082 562 HB3 TRP 79 HB3 TRP 79 -8.831 1.964 -2.413 563 HD1 TRP 79 HD1 TRP 79 -5.138 1.955 -1.381 564 HE1 TRP 79 HE1 TRP 79 -5.009 2.214 1.178 565 HE3 TRP 79 HE3 TRP 79 -10.111 1.567 -0.273 566 HZ2 TRP 79 HZ2 TRP 79 -6.780 2.251 3.375 567 HZ3 TRP 79 HZ3 TRP 79 -10.811 1.727 2.081 568 HH2 TRP 79 HH2 TRP 79 -9.179 2.061 3.866 569 H SER 80 H SER 80 -7.601 -0.546 -5.345 570 HA SER 80 HA SER 80 -10.059 0.325 -6.355 571 HB2 SER 80 HB2 SER 80 -8.165 -1.793 -7.377 572 HB3 SER 80 HB3 SER 80 -9.572 -1.230 -8.277 573 HG SER 80 HG SER 80 -7.686 0.618 -7.287 574 H TRP 81 H TRP 81 -9.185 -2.865 -5.034 575 HA TRP 81 HA TRP 81 -11.819 -3.897 -5.691 576 HB2 TRP 81 HB2 TRP 81 -9.349 -5.074 -4.448 577 HB3 TRP 81 HB3 TRP 81 -10.894 -5.911 -4.312 578 HD1 TRP 81 HD1 TRP 81 -8.028 -5.386 -6.646 579 HE1 TRP 81 HE1 TRP 81 -8.481 -6.587 -8.877 580 HE3 TRP 81 HE3 TRP 81 -12.978 -6.487 -5.986 581 HZ2 TRP 81 HZ2 TRP 81 -10.651 -7.835 -10.185 582 HZ3 TRP 81 HZ3 TRP 81 -14.169 -7.686 -7.775 583 HH2 TRP 81 HH2 TRP 81 -13.028 -8.345 -9.832 584 H ALA 82 H ALA 82 -10.289 -4.576 -2.604 585 HA ALA 82 HA ALA 82 -12.659 -3.462 -1.256 586 HB1 ALA 82 HB1 ALA 82 -11.624 -5.002 0.660 587 HB2 ALA 82 HB2 ALA 82 -10.969 -5.850 -0.739 588 HB3 ALA 82 HB3 ALA 82 -12.712 -5.638 -0.573 589 H GLN 83 H GLN 83 -9.611 -4.340 0.215 590 HA GLN 83 HA GLN 83 -9.165 -1.520 0.954 591 HB2 GLN 83 HB2 GLN 83 -8.188 -4.034 2.346 592 HB3 GLN 83 HB3 GLN 83 -7.896 -2.382 2.877 593 HG2 GLN 83 HG2 GLN 83 -10.600 -3.692 2.689 594 HG3 GLN 83 HG3 GLN 83 -9.658 -3.498 4.166 595 HE21 GLN 83 HE21 GLN 83 -12.130 -2.240 2.428 596 HE22 GLN 83 HE22 GLN 83 -12.108 -0.617 3.020 597 H LYS 84 H LYS 84 -7.403 -4.556 0.427 598 HA LYS 84 HA LYS 84 -5.575 -3.134 -1.366 599 HB2 LYS 84 HB2 LYS 84 -4.158 -3.332 0.483 600 HB3 LYS 84 HB3 LYS 84 -4.863 -4.862 0.986 601 HG2 LYS 84 HG2 LYS 84 -3.721 -6.033 -0.755 602 HG3 LYS 84 HG3 LYS 84 -3.162 -4.527 -1.471 603 HD2 LYS 84 HD2 LYS 84 -1.397 -5.654 -0.203 604 HD3 LYS 84 HD3 LYS 84 -1.792 -4.083 0.489 605 HE2 LYS 84 HE2 LYS 84 -1.490 -5.849 2.189 606 HE3 LYS 84 HE3 LYS 84 -3.100 -5.123 2.223 607 HZ1 LYS 84 HZ1 LYS 84 -2.754 -7.502 0.562 608 HZ2 LYS 84 HZ2 LYS 84 -4.073 -7.029 1.523 609 HZ3 LYS 84 HZ3 LYS 84 -2.709 -7.732 2.241 610 H ASN 85 H ASN 85 -6.865 -6.203 -0.223 611 HA ASN 85 HA ASN 85 -7.314 -8.206 -1.189 612 HB2 ASN 85 HB2 ASN 85 -8.873 -6.516 -2.378 613 HB3 ASN 85 HB3 ASN 85 -7.818 -6.752 -3.768 614 HD21 ASN 85 HD21 ASN 85 -9.137 -7.866 -5.096 615 HD22 ASN 85 HD22 ASN 85 -9.831 -9.402 -4.720 616 H LYS 86 H LYS 86 -4.559 -7.415 -1.311 617 HA LYS 86 HA LYS 86 -3.703 -9.122 -3.526 618 HB2 LYS 86 HB2 LYS 86 -3.220 -6.288 -3.319 619 HB3 LYS 86 HB3 LYS 86 -1.696 -7.153 -3.197 620 HG2 LYS 86 HG2 LYS 86 -1.911 -6.724 -5.463 621 HG3 LYS 86 HG3 LYS 86 -2.462 -8.395 -5.310 622 HD2 LYS 86 HD2 LYS 86 -4.801 -7.133 -4.976 623 HD3 LYS 86 HD3 LYS 86 -3.975 -5.938 -5.979 624 HE2 LYS 86 HE2 LYS 86 -4.466 -8.842 -6.627 625 HE3 LYS 86 HE3 LYS 86 -5.203 -7.441 -7.400 626 HZ1 LYS 86 HZ1 LYS 86 -2.347 -8.255 -7.525 627 HZ2 LYS 86 HZ2 LYS 86 -2.943 -6.794 -8.139 628 HZ3 LYS 86 HZ3 LYS 86 -3.469 -8.261 -8.794 629 H THR 87 H THR 87 -2.224 -10.630 -2.831 630 HA THR 87 HA THR 87 -1.445 -10.496 -0.058 631 HB THR 87 HB THR 87 -0.488 -12.698 -0.346 632 HG1 THR 87 HG1 THR 87 -0.650 -13.672 -2.498 633 HG21 THR 87 HG21 THR 87 -3.177 -12.055 -0.706 634 HG22 THR 87 HG22 THR 87 -2.518 -13.620 -0.232 635 HG23 THR 87 HG23 THR 87 -2.838 -13.276 -1.930 636 H ILE 88 H ILE 88 0.783 -10.842 0.631 637 HA ILE 88 HA ILE 88 2.500 -8.881 -0.383 638 HB ILE 88 HB ILE 88 2.637 -10.952 1.715 639 HG12 ILE 88 HG12 ILE 88 3.624 -8.970 2.951 640 HG13 ILE 88 HG13 ILE 88 3.393 -8.035 1.477 641 HG21 ILE 88 HG21 ILE 88 5.136 -10.348 2.041 642 HG22 ILE 88 HG22 ILE 88 5.103 -10.021 0.308 643 HG23 ILE 88 HG23 ILE 88 4.694 -11.628 0.910 644 HD11 ILE 88 HD11 ILE 88 1.002 -8.405 1.605 645 HD12 ILE 88 HD12 ILE 88 1.606 -7.683 3.096 646 HD13 ILE 88 HD13 ILE 88 1.219 -9.403 3.044 647 H GLY 89 H GLY 89 2.375 -12.364 -0.950 648 HA2 GLY 89 HA2 GLY 89 4.800 -12.630 -2.357 649 HA3 GLY 89 HA3 GLY 89 3.412 -13.698 -2.508 650 H ASP 90 H ASP 90 1.555 -11.771 -3.474 651 HA ASP 90 HA ASP 90 2.066 -11.910 -6.242 652 HB2 ASP 90 HB2 ASP 90 -0.203 -11.816 -5.256 653 HB3 ASP 90 HB3 ASP 90 0.079 -10.136 -4.806 654 H LEU 91 H LEU 91 2.271 -9.176 -3.974 655 HA LEU 91 HA LEU 91 3.115 -7.351 -6.040 656 HB2 LEU 91 HB2 LEU 91 2.251 -7.140 -3.331 657 HB3 LEU 91 HB3 LEU 91 3.804 -6.343 -3.473 658 HG LEU 91 HG LEU 91 2.276 -4.618 -3.835 659 HD11 LEU 91 HD11 LEU 91 2.434 -5.268 -6.708 660 HD12 LEU 91 HD12 LEU 91 3.966 -5.257 -5.832 661 HD13 LEU 91 HD13 LEU 91 2.941 -3.822 -5.833 662 HD21 LEU 91 HD21 LEU 91 0.701 -6.588 -5.487 663 HD22 LEU 91 HD22 LEU 91 0.342 -4.863 -5.410 664 HD23 LEU 91 HD23 LEU 91 0.241 -5.851 -3.954 665 H LEU 92 H LEU 92 4.690 -9.537 -3.874 666 HA LEU 92 HA LEU 92 7.217 -8.361 -3.646 667 HB2 LEU 92 HB2 LEU 92 6.514 -10.301 -2.334 668 HB3 LEU 92 HB3 LEU 92 6.489 -11.290 -3.781 669 HG LEU 92 HG LEU 92 8.933 -10.995 -4.009 670 HD11 LEU 92 HD11 LEU 92 10.022 -10.183 -1.773 671 HD12 LEU 92 HD12 LEU 92 8.517 -9.279 -1.607 672 HD13 LEU 92 HD13 LEU 92 9.549 -9.021 -3.014 673 HD21 LEU 92 HD21 LEU 92 8.028 -12.057 -1.334 674 HD22 LEU 92 HD22 LEU 92 9.558 -12.430 -2.128 675 HD23 LEU 92 HD23 LEU 92 8.038 -12.947 -2.858 676 H GLN 93 H GLN 93 5.891 -10.445 -6.178 677 HA GLN 93 HA GLN 93 8.253 -10.805 -7.665 678 HB2 GLN 93 HB2 GLN 93 5.344 -10.773 -8.489 679 HB3 GLN 93 HB3 GLN 93 6.651 -11.234 -9.572 680 HG2 GLN 93 HG2 GLN 93 7.208 -13.115 -8.223 681 HG3 GLN 93 HG3 GLN 93 6.109 -12.595 -6.945 682 HE21 GLN 93 HE21 GLN 93 3.975 -13.064 -7.089 683 HE22 GLN 93 HE22 GLN 93 3.287 -14.031 -8.346 684 H VAL 94 H VAL 94 5.747 -8.317 -7.777 685 HA VAL 94 HA VAL 94 6.791 -6.881 -9.989 686 HB VAL 94 HB VAL 94 4.971 -5.989 -7.742 687 HG11 VAL 94 HG11 VAL 94 4.744 -3.942 -8.653 688 HG12 VAL 94 HG12 VAL 94 4.917 -4.540 -10.303 689 HG13 VAL 94 HG13 VAL 94 6.349 -4.277 -9.306 690 HG21 VAL 94 HG21 VAL 94 3.650 -6.133 -10.239 691 HG22 VAL 94 HG22 VAL 94 3.388 -7.123 -8.806 692 HG23 VAL 94 HG23 VAL 94 4.550 -7.636 -10.028 693 H LEU 95 H LEU 95 7.164 -6.612 -6.489 694 HA LEU 95 HA LEU 95 8.676 -4.257 -6.368 695 HB2 LEU 95 HB2 LEU 95 8.195 -6.576 -4.596 696 HB3 LEU 95 HB3 LEU 95 9.645 -5.652 -4.264 697 HG LEU 95 HG LEU 95 8.369 -3.658 -3.845 698 HD11 LEU 95 HD11 LEU 95 6.081 -5.254 -4.934 699 HD12 LEU 95 HD12 LEU 95 6.626 -3.637 -5.383 700 HD13 LEU 95 HD13 LEU 95 5.811 -3.895 -3.841 701 HD21 LEU 95 HD21 LEU 95 7.023 -5.995 -2.502 702 HD22 LEU 95 HD22 LEU 95 7.110 -4.339 -1.901 703 HD23 LEU 95 HD23 LEU 95 8.577 -5.309 -2.026 704 H GLN 96 H GLN 96 9.662 -7.617 -6.835 705 HA GLN 96 HA GLN 96 12.442 -7.229 -6.633 706 HB2 GLN 96 HB2 GLN 96 10.808 -9.293 -8.114 707 HB3 GLN 96 HB3 GLN 96 12.563 -9.348 -8.025 708 HG2 GLN 96 HG2 GLN 96 12.507 -9.618 -5.655 709 HG3 GLN 96 HG3 GLN 96 10.768 -9.326 -5.614 710 HE21 GLN 96 HE21 GLN 96 12.313 -11.625 -4.678 711 HE22 GLN 96 HE22 GLN 96 11.670 -12.998 -5.505 712 H GLU 97 H GLU 97 10.238 -7.019 -9.399 713 HA GLU 97 HA GLU 97 12.222 -6.641 -11.375 714 HB2 GLU 97 HB2 GLU 97 9.892 -7.270 -11.903 715 HB3 GLU 97 HB3 GLU 97 9.344 -5.686 -11.361 716 HG2 GLU 97 HG2 GLU 97 9.423 -5.715 -13.753 717 HG3 GLU 97 HG3 GLU 97 10.688 -4.647 -13.151 718 H MET 98 H MET 98 10.353 -4.376 -9.400 719 HA MET 98 HA MET 98 11.405 -2.018 -10.579 720 HB2 MET 98 HB2 MET 98 9.277 -2.193 -9.233 721 HB3 MET 98 HB3 MET 98 10.279 -2.278 -7.791 722 HG2 MET 98 HG2 MET 98 9.423 -0.027 -8.168 723 HG3 MET 98 HG3 MET 98 11.185 -0.076 -8.258 724 HE1 MET 98 HE1 MET 98 12.535 0.570 -9.952 725 HE2 MET 98 HE2 MET 98 11.739 2.146 -9.967 726 HE3 MET 98 HE3 MET 98 12.086 1.317 -11.486 727 H GLY 99 H GLY 99 12.378 -3.972 -7.794 728 HA2 GLY 99 HA2 GLY 99 14.540 -4.148 -6.931 729 HA3 GLY 99 HA3 GLY 99 15.028 -2.796 -7.936 730 H HIS 100 H HIS 100 12.235 -2.526 -5.858 731 HA HIS 100 HA HIS 100 13.460 -0.323 -4.470 732 HB2 HIS 100 HB2 HIS 100 11.019 -0.427 -5.112 733 HB3 HIS 100 HB3 HIS 100 10.806 -1.638 -3.854 734 HD2 HIS 100 HD2 HIS 100 13.125 1.197 -2.776 735 HE1 HIS 100 HE1 HIS 100 9.332 2.085 -1.174 736 H ARG 101 H ARG 101 14.964 -0.766 -3.026 737 HA ARG 101 HA ARG 101 15.245 -3.145 -1.562 738 HB2 ARG 101 HB2 ARG 101 16.392 -0.391 -1.198 739 HB3 ARG 101 HB3 ARG 101 16.881 -1.765 -0.212 740 HG2 ARG 101 HG2 ARG 101 17.645 -2.938 -2.212 741 HG3 ARG 101 HG3 ARG 101 17.144 -1.570 -3.209 742 HD2 ARG 101 HD2 ARG 101 18.725 -0.129 -2.006 743 HD3 ARG 101 HD3 ARG 101 19.234 -1.509 -1.032 744 HE ARG 101 HE ARG 101 19.958 -0.938 -3.772 745 HH11 ARG 101 HH11 ARG 101 21.541 -2.271 -4.723 746 HH12 ARG 101 HH12 ARG 101 21.992 -3.751 -3.947 747 HH21 ARG 101 HH21 ARG 101 19.794 -3.343 -1.256 748 HH22 ARG 101 HH22 ARG 101 20.996 -4.364 -1.971 749 H ARG 102 H ARG 102 13.863 -0.006 -0.599 750 HA ARG 102 HA ARG 102 13.562 -0.616 2.133 751 HB2 ARG 102 HB2 ARG 102 13.418 1.681 1.270 752 HB3 ARG 102 HB3 ARG 102 11.923 1.278 0.438 753 HG2 ARG 102 HG2 ARG 102 11.409 2.474 2.454 754 HG3 ARG 102 HG3 ARG 102 10.873 0.799 2.622 755 HD2 ARG 102 HD2 ARG 102 11.941 1.529 4.668 756 HD3 ARG 102 HD3 ARG 102 12.924 0.292 3.886 757 HE ARG 102 HE ARG 102 13.756 2.900 3.123 758 HH11 ARG 102 HH11 ARG 102 15.716 3.722 3.951 759 HH12 ARG 102 HH12 ARG 102 16.426 2.990 5.351 760 HH21 ARG 102 HH21 ARG 102 13.907 0.588 5.724 761 HH22 ARG 102 HH22 ARG 102 15.396 1.202 6.361 762 H ALA 103 H ALA 103 11.403 -1.050 -0.623 763 HA ALA 103 HA ALA 103 9.132 -1.917 0.806 764 HB1 ALA 103 HB1 ALA 103 9.750 -3.023 -1.901 765 HB2 ALA 103 HB2 ALA 103 9.450 -1.294 -1.718 766 HB3 ALA 103 HB3 ALA 103 8.217 -2.460 -1.236 767 H ILE 104 H ILE 104 11.889 -3.680 -0.558 768 HA ILE 104 HA ILE 104 10.995 -6.281 0.072 769 HB ILE 104 HB ILE 104 13.783 -5.187 -0.340 770 HG12 ILE 104 HG12 ILE 104 12.106 -6.961 -2.125 771 HG13 ILE 104 HG13 ILE 104 12.142 -5.205 -2.259 772 HG21 ILE 104 HG21 ILE 104 13.642 -8.008 -0.776 773 HG22 ILE 104 HG22 ILE 104 13.078 -7.648 0.857 774 HG23 ILE 104 HG23 ILE 104 14.675 -7.109 0.337 775 HD11 ILE 104 HD11 ILE 104 13.709 -6.846 -3.682 776 HD12 ILE 104 HD12 ILE 104 14.760 -6.547 -2.299 777 HD13 ILE 104 HD13 ILE 104 14.155 -5.194 -3.256 778 H HIS 105 H HIS 105 13.003 -3.962 1.835 779 HA HIS 105 HA HIS 105 13.658 -5.584 4.026 780 HB2 HIS 105 HB2 HIS 105 14.794 -3.470 3.553 781 HB3 HIS 105 HB3 HIS 105 13.315 -2.579 3.887 782 HD2 HIS 105 HD2 HIS 105 13.098 -1.725 6.424 783 HE1 HIS 105 HE1 HIS 105 16.024 -4.197 8.181 784 H LEU 106 H LEU 106 10.946 -3.295 3.611 785 HA LEU 106 HA LEU 106 9.859 -3.902 6.195 786 HB2 LEU 106 HB2 LEU 106 9.484 -1.926 4.229 787 HB3 LEU 106 HB3 LEU 106 7.924 -2.692 4.460 788 HG LEU 106 HG LEU 106 7.815 -0.980 5.997 789 HD11 LEU 106 HD11 LEU 106 9.195 -2.713 7.948 790 HD12 LEU 106 HD12 LEU 106 7.870 -3.442 7.037 791 HD13 LEU 106 HD13 LEU 106 7.587 -1.992 7.998 792 HD21 LEU 106 HD21 LEU 106 9.669 -0.144 7.309 793 HD22 LEU 106 HD22 LEU 106 10.115 -0.193 5.604 794 HD23 LEU 106 HD23 LEU 106 10.711 -1.433 6.707 795 H ILE 107 H ILE 107 9.401 -5.259 3.015 796 HA ILE 107 HA ILE 107 6.821 -6.332 3.415 797 HB ILE 107 HB ILE 107 8.184 -6.137 1.212 798 HG12 ILE 107 HG12 ILE 107 6.593 -8.668 1.634 799 HG13 ILE 107 HG13 ILE 107 5.852 -7.072 1.570 800 HG21 ILE 107 HG21 ILE 107 8.963 -8.929 2.050 801 HG22 ILE 107 HG22 ILE 107 10.061 -7.555 1.916 802 HG23 ILE 107 HG23 ILE 107 9.261 -8.189 0.477 803 HD11 ILE 107 HD11 ILE 107 6.591 -8.794 -0.570 804 HD12 ILE 107 HD12 ILE 107 7.503 -7.291 -0.697 805 HD13 ILE 107 HD13 ILE 107 5.743 -7.250 -0.627 806 H THR 108 H THR 108 9.870 -7.280 4.669 807 HA THR 108 HA THR 108 9.227 -10.031 5.149 808 HB THR 108 HB THR 108 11.240 -10.096 6.529 809 HG1 THR 108 HG1 THR 108 11.577 -7.312 6.024 810 HG21 THR 108 HG21 THR 108 11.634 -10.332 4.188 811 HG22 THR 108 HG22 THR 108 12.887 -9.262 4.817 812 HG23 THR 108 HG23 THR 108 11.518 -8.591 3.930 813 H ASN 109 H ASN 109 8.139 -7.195 6.556 814 HA ASN 109 HA ASN 109 7.921 -8.233 9.265 815 HB2 ASN 109 HB2 ASN 109 8.319 -5.759 8.537 816 HB3 ASN 109 HB3 ASN 109 6.574 -5.728 8.309 817 HD21 ASN 109 HD21 ASN 109 6.187 -4.288 9.954 818 HD22 ASN 109 HD22 ASN 109 6.400 -4.682 11.625 819 H TYR 110 H TYR 110 6.447 -9.293 6.759 820 HA TYR 110 HA TYR 110 3.665 -8.947 7.473 821 HB2 TYR 110 HB2 TYR 110 4.083 -9.125 5.136 822 HB3 TYR 110 HB3 TYR 110 5.085 -10.555 5.349 823 HD1 TYR 110 HD1 TYR 110 1.546 -9.361 5.651 824 HD2 TYR 110 HD2 TYR 110 4.170 -12.681 5.140 825 HE1 TYR 110 HE1 TYR 110 -0.378 -10.817 5.213 826 HE2 TYR 110 HE2 TYR 110 2.242 -14.137 4.692 827 HH TYR 110 HH TYR 110 -0.574 -13.758 5.503 828 H GLY 111 H GLY 111 2.524 -10.212 8.794 829 HA2 GLY 111 HA2 GLY 111 3.813 -12.654 9.809 830 HA3 GLY 111 HA3 GLY 111 2.587 -11.723 10.660 831 H ALA 112 H ALA 112 2.566 -14.556 10.149 832 HA ALA 112 HA ALA 112 0.881 -15.226 7.986 833 HB1 ALA 112 HB1 ALA 112 0.615 -17.372 9.067 834 HB2 ALA 112 HB2 ALA 112 1.230 -16.717 10.585 835 HB3 ALA 112 HB3 ALA 112 2.296 -16.854 9.186 836 H VAL 113 H VAL 113 -1.313 -15.505 7.834 837 HA VAL 113 HA VAL 113 -2.938 -14.633 10.123 838 HB VAL 113 HB VAL 113 -4.492 -13.503 8.561 839 HG11 VAL 113 HG11 VAL 113 -2.966 -11.573 7.986 840 HG12 VAL 113 HG12 VAL 113 -1.637 -12.549 8.611 841 HG13 VAL 113 HG13 VAL 113 -2.961 -12.079 9.675 842 HG21 VAL 113 HG21 VAL 113 -4.099 -13.237 6.288 843 HG22 VAL 113 HG22 VAL 113 -3.601 -14.904 6.572 844 HG23 VAL 113 HG23 VAL 113 -2.388 -13.633 6.434 845 H LEU 114 H LEU 114 -5.192 -15.373 10.030 846 HA LEU 114 HA LEU 114 -5.317 -18.073 8.919 847 HB2 LEU 114 HB2 LEU 114 -6.590 -16.668 11.189 848 HB3 LEU 114 HB3 LEU 114 -7.597 -17.837 10.358 849 HG LEU 114 HG LEU 114 -5.710 -19.512 10.718 850 HD11 LEU 114 HD11 LEU 114 -4.000 -19.084 12.212 851 HD12 LEU 114 HD12 LEU 114 -4.833 -17.710 12.934 852 HD13 LEU 114 HD13 LEU 114 -4.114 -17.560 11.332 853 HD21 LEU 114 HD21 LEU 114 -7.660 -19.793 11.989 854 HD22 LEU 114 HD22 LEU 114 -7.345 -18.349 12.952 855 HD23 LEU 114 HD23 LEU 114 -6.349 -19.790 13.167 856 H SER 115 H SER 115 -6.770 -18.705 7.401 857 HA SER 115 HA SER 115 -8.078 -16.637 5.883 858 HB2 SER 115 HB2 SER 115 -8.060 -19.642 5.506 859 HB3 SER 115 HB3 SER 115 -8.689 -18.473 4.348 860 HG SER 115 HG SER 115 -6.136 -17.915 5.154 861 HA PRO 116 HA PRO 116 -11.932 -17.037 8.101 862 HB2 PRO 116 HB2 PRO 116 -13.396 -15.374 6.543 863 HB3 PRO 116 HB3 PRO 116 -12.203 -14.785 7.706 864 HG2 PRO 116 HG2 PRO 116 -11.931 -15.170 4.744 865 HG3 PRO 116 HG3 PRO 116 -11.413 -13.798 5.744 866 HD2 PRO 116 HD2 PRO 116 -9.697 -15.720 4.924 867 HD3 PRO 116 HD3 PRO 116 -9.517 -14.893 6.485 868 H SER 117 H SER 117 -13.917 -18.070 7.852 869 HA SER 117 HA SER 117 -14.115 -19.782 5.497 870 HB2 SER 117 HB2 SER 117 -15.635 -19.845 8.116 871 HB3 SER 117 HB3 SER 117 -15.783 -21.035 6.823 872 HG SER 117 HG SER 117 -13.193 -20.662 7.503 873 H GLU 118 H GLU 118 -15.201 -16.809 6.271 874 HA GLU 118 HA GLU 118 -17.871 -17.169 5.119 875 HB2 GLU 118 HB2 GLU 118 -16.593 -14.845 6.564 876 HB3 GLU 118 HB3 GLU 118 -18.165 -14.745 5.785 877 HG2 GLU 118 HG2 GLU 118 -19.071 -16.402 7.261 878 HG3 GLU 118 HG3 GLU 118 -17.483 -16.712 7.957 879 H LYS 119 H LYS 119 -18.485 -16.240 3.210 880 HA LYS 119 HA LYS 119 -16.645 -14.495 1.791 881 HB2 LYS 119 HB2 LYS 119 -16.674 -15.900 -0.238 882 HB3 LYS 119 HB3 LYS 119 -15.886 -16.701 1.111 883 HG2 LYS 119 HG2 LYS 119 -17.904 -18.016 1.518 884 HG3 LYS 119 HG3 LYS 119 -18.702 -17.210 0.166 885 HD2 LYS 119 HD2 LYS 119 -17.153 -18.157 -1.396 886 HD3 LYS 119 HD3 LYS 119 -16.152 -18.800 -0.090 887 HE2 LYS 119 HE2 LYS 119 -17.507 -20.560 -1.085 888 HE3 LYS 119 HE3 LYS 119 -17.983 -20.273 0.587 889 HZ1 LYS 119 HZ1 LYS 119 -19.413 -18.903 -1.601 890 HZ2 LYS 119 HZ2 LYS 119 -19.958 -19.310 -0.049 891 HZ3 LYS 119 HZ3 LYS 119 -19.786 -20.514 -1.223 892 H SER 120 H SER 120 -17.614 -13.453 -0.056 893 HA SER 120 HA SER 120 -20.499 -13.148 0.279 894 HB2 SER 120 HB2 SER 120 -18.508 -11.483 -1.282 895 HB3 SER 120 HB3 SER 120 -20.220 -11.107 -1.087 896 HG SER 120 HG SER 120 -19.891 -10.561 0.962 897 H TYR 121 H TYR 121 -18.530 -15.008 -1.575 898 HA TYR 121 HA TYR 121 -20.062 -14.744 -4.043 899 HB2 TYR 121 HB2 TYR 121 -17.586 -14.989 -4.127 900 HB3 TYR 121 HB3 TYR 121 -17.744 -16.580 -3.395 901 HD1 TYR 121 HD1 TYR 121 -18.803 -14.619 -6.383 902 HD2 TYR 121 HD2 TYR 121 -17.979 -18.461 -4.749 903 HE1 TYR 121 HE1 TYR 121 -19.030 -15.614 -8.620 904 HE2 TYR 121 HE2 TYR 121 -18.202 -19.463 -6.982 905 HH TYR 121 HH TYR 121 -19.124 -19.048 -9.107 906 H GLN 122 H GLN 122 -22.071 -15.549 -3.524 907 HA GLN 122 HA GLN 122 -22.231 -18.290 -2.491 908 HB2 GLN 122 HB2 GLN 122 -24.303 -16.110 -2.765 909 HB3 GLN 122 HB3 GLN 122 -24.689 -17.752 -2.270 910 HG2 GLN 122 HG2 GLN 122 -23.367 -17.541 -0.293 911 HG3 GLN 122 HG3 GLN 122 -22.734 -15.984 -0.823 912 HE21 GLN 122 HE21 GLN 122 -24.167 -16.670 1.617 913 HE22 GLN 122 HE22 GLN 122 -25.568 -15.662 1.651 914 H GLU 123 H GLU 123 -21.986 -16.886 -5.410 915 HA GLU 123 HA GLU 123 -24.088 -17.988 -6.925 916 HB2 GLU 123 HB2 GLU 123 -22.633 -16.180 -7.743 917 HB3 GLU 123 HB3 GLU 123 -21.275 -17.295 -7.800 918 HG2 GLU 123 HG2 GLU 123 -22.388 -18.599 -9.519 919 HG3 GLU 123 HG3 GLU 123 -23.796 -17.543 -9.431 920 H GLY 124 H GLY 124 -20.885 -19.255 -6.091 921 HA2 GLY 124 HA2 GLY 124 -20.224 -21.476 -5.936 922 HA3 GLY 124 HA3 GLY 124 -21.828 -21.952 -6.473 Start of MODEL 10 1 H1 SER 1 HT1 SER 1 3.831 32.264 -5.073 2 H2 SER 1 HT2 SER 1 3.953 31.055 -3.894 3 H3 SER 1 HT3 SER 1 4.418 30.733 -5.489 4 HA SER 1 HA SER 1 6.209 32.344 -5.322 5 HB2 SER 1 HB2 SER 1 6.279 32.572 -2.453 6 HB3 SER 1 HB3 SER 1 6.233 33.856 -3.662 7 HG SER 1 HG SER 1 3.824 32.699 -3.471 8 H GLU 2 H GLU 2 5.121 29.476 -4.277 9 HA GLU 2 HA GLU 2 7.697 28.620 -3.149 10 HB2 GLU 2 HB2 GLU 2 5.696 28.123 -1.788 11 HB3 GLU 2 HB3 GLU 2 5.021 27.205 -3.125 12 HG2 GLU 2 HG2 GLU 2 6.841 25.599 -2.965 13 HG3 GLU 2 HG3 GLU 2 7.566 26.536 -1.660 14 H PHE 3 H PHE 3 9.033 27.421 -4.348 15 HA PHE 3 HA PHE 3 7.948 26.127 -6.761 16 HB2 PHE 3 HB2 PHE 3 10.662 27.412 -6.380 17 HB3 PHE 3 HB3 PHE 3 10.179 26.495 -7.803 18 HD1 PHE 3 HD1 PHE 3 9.986 29.666 -6.069 19 HD2 PHE 3 HD2 PHE 3 8.421 27.381 -9.300 20 HE1 PHE 3 HE1 PHE 3 9.069 31.718 -7.072 21 HE2 PHE 3 HE2 PHE 3 7.503 29.428 -10.309 22 HZ PHE 3 HZ PHE 3 7.826 31.600 -9.194 23 H GLY 4 H GLY 4 8.612 24.053 -7.221 24 HA2 GLY 4 HA2 GLY 4 9.917 22.108 -6.973 25 HA3 GLY 4 HA3 GLY 4 10.652 22.814 -5.540 26 H SER 5 H SER 5 9.976 20.269 -5.300 27 HA SER 5 HA SER 5 7.568 20.352 -3.617 28 HB2 SER 5 HB2 SER 5 8.373 18.096 -5.476 29 HB3 SER 5 HB3 SER 5 7.036 18.037 -4.326 30 HG SER 5 HG SER 5 6.812 20.242 -5.825 31 H MET 6 H MET 6 7.602 18.971 -1.788 32 HA MET 6 HA MET 6 10.317 18.175 -0.995 33 HB2 MET 6 HB2 MET 6 7.896 18.884 0.671 34 HB3 MET 6 HB3 MET 6 9.399 18.267 1.340 35 HG2 MET 6 HG2 MET 6 10.568 20.224 0.332 36 HG3 MET 6 HG3 MET 6 8.989 20.863 -0.119 37 HE1 MET 6 HE1 MET 6 7.358 21.883 3.165 38 HE2 MET 6 HE2 MET 6 7.068 20.346 2.352 39 HE3 MET 6 HE3 MET 6 7.282 21.818 1.404 40 H ALA 7 H ALA 7 10.761 16.122 -0.366 41 HA ALA 7 HA ALA 7 9.117 14.016 -1.238 42 HB1 ALA 7 HB1 ALA 7 10.806 12.761 0.460 43 HB2 ALA 7 HB2 ALA 7 11.683 14.265 0.180 44 HB3 ALA 7 HB3 ALA 7 11.229 13.241 -1.183 45 H GLY 8 H GLY 8 9.638 15.374 1.989 46 HA2 GLY 8 HA2 GLY 8 8.121 15.367 3.765 47 HA3 GLY 8 HA3 GLY 8 7.112 14.244 2.864 48 H ASN 9 H ASN 9 7.186 13.559 5.340 49 HA ASN 9 HA ASN 9 9.390 11.645 5.704 50 HB2 ASN 9 HB2 ASN 9 7.499 12.916 7.689 51 HB3 ASN 9 HB3 ASN 9 8.547 11.564 8.102 52 HD21 ASN 9 HD21 ASN 9 8.619 14.090 9.332 53 HD22 ASN 9 HD22 ASN 9 10.152 14.808 8.992 54 H CYS 10 H CYS 10 8.953 9.609 5.204 55 HA CYS 10 HA CYS 10 6.373 8.636 4.623 56 HB2 CYS 10 HB2 CYS 10 8.998 7.224 5.102 57 HB3 CYS 10 HB3 CYS 10 7.530 6.381 4.622 58 HG CYS 10 HG CYS 10 7.298 7.582 2.151 59 H GLY 11 H GLY 11 8.418 8.322 7.494 60 HA2 GLY 11 HA2 GLY 11 7.165 8.308 9.637 61 HA3 GLY 11 HA3 GLY 11 6.109 7.118 8.890 62 H ALA 12 H ALA 12 6.876 6.114 11.070 63 HA ALA 12 HA ALA 12 9.403 4.670 10.648 64 HB1 ALA 12 HB1 ALA 12 8.891 6.076 12.782 65 HB2 ALA 12 HB2 ALA 12 9.678 4.505 12.934 66 HB3 ALA 12 HB3 ALA 12 7.952 4.661 13.258 67 H ARG 13 H ARG 13 9.278 2.630 10.014 68 HA ARG 13 HA ARG 13 7.027 0.975 10.884 69 HB2 ARG 13 HB2 ARG 13 7.936 1.359 8.034 70 HB3 ARG 13 HB3 ARG 13 6.993 -0.035 8.544 71 HG2 ARG 13 HG2 ARG 13 5.153 1.351 9.168 72 HG3 ARG 13 HG3 ARG 13 6.102 2.814 8.915 73 HD2 ARG 13 HD2 ARG 13 6.234 2.350 6.538 74 HD3 ARG 13 HD3 ARG 13 5.378 0.825 6.765 75 HE ARG 13 HE ARG 13 3.398 1.981 6.896 76 HH11 ARG 13 HH11 ARG 13 2.072 3.827 6.715 77 HH12 ARG 13 HH12 ARG 13 2.790 5.403 6.755 78 HH21 ARG 13 HH21 ARG 13 6.060 4.216 7.123 79 HH22 ARG 13 HH22 ARG 13 5.064 5.628 6.983 80 H GLY 14 H GLY 14 7.436 -1.380 10.381 81 HA2 GLY 14 HA2 GLY 14 9.015 -3.143 9.980 82 HA3 GLY 14 HA3 GLY 14 10.307 -2.027 10.401 83 H ALA 15 H ALA 15 8.439 -1.181 12.724 84 HA ALA 15 HA ALA 15 9.337 -3.324 14.526 85 HB1 ALA 15 HB1 ALA 15 8.502 -1.202 16.108 86 HB2 ALA 15 HB2 ALA 15 9.282 -0.432 14.727 87 HB3 ALA 15 HB3 ALA 15 10.166 -1.612 15.694 88 H LEU 16 H LEU 16 6.690 -0.942 14.620 89 HA LEU 16 HA LEU 16 4.887 -3.112 15.459 90 HB2 LEU 16 HB2 LEU 16 4.630 -0.137 15.923 91 HB3 LEU 16 HB3 LEU 16 3.495 -1.354 16.471 92 HG LEU 16 HG LEU 16 6.364 -1.108 17.389 93 HD11 LEU 16 HD11 LEU 16 3.782 -0.431 18.794 94 HD12 LEU 16 HD12 LEU 16 4.979 0.723 18.203 95 HD13 LEU 16 HD13 LEU 16 5.393 -0.385 19.514 96 HD21 LEU 16 HD21 LEU 16 5.799 -3.380 17.560 97 HD22 LEU 16 HD22 LEU 16 4.152 -3.020 18.078 98 HD23 LEU 16 HD23 LEU 16 5.503 -2.717 19.167 99 H SER 17 H SER 17 2.994 -3.465 14.349 100 HA SER 17 HA SER 17 2.685 -1.946 11.851 101 HB2 SER 17 HB2 SER 17 1.142 -3.976 11.326 102 HB3 SER 17 HB3 SER 17 2.892 -4.206 11.302 103 HG SER 17 HG SER 17 1.025 -5.349 12.906 104 H ALA 18 H ALA 18 1.290 -0.319 12.044 105 HA ALA 18 HA ALA 18 -0.977 -0.492 13.862 106 HB1 ALA 18 HB1 ALA 18 0.375 1.561 13.794 107 HB2 ALA 18 HB2 ALA 18 -1.312 1.864 13.377 108 HB3 ALA 18 HB3 ALA 18 -0.087 1.797 12.108 109 H HIS 19 H HIS 19 -0.354 -1.308 10.721 110 HA HIS 19 HA HIS 19 -3.084 -0.755 9.800 111 HB2 HIS 19 HB2 HIS 19 -0.599 -1.506 8.244 112 HB3 HIS 19 HB3 HIS 19 -2.195 -1.297 7.532 113 HD2 HIS 19 HD2 HIS 19 -2.951 1.291 7.044 114 HE1 HIS 19 HE1 HIS 19 0.518 3.151 8.552 115 H THR 20 H THR 20 -2.118 -2.999 11.617 116 HA THR 20 HA THR 20 -2.250 -5.416 10.117 117 HB THR 20 HB THR 20 -2.782 -5.048 13.074 118 HG1 THR 20 HG1 THR 20 -0.747 -4.395 13.008 119 HG21 THR 20 HG21 THR 20 -2.371 -7.325 13.334 120 HG22 THR 20 HG22 THR 20 -1.571 -7.461 11.768 121 HG23 THR 20 HG23 THR 20 -3.323 -7.269 11.852 122 H LEU 21 H LEU 21 -3.992 -6.291 9.198 123 HA LEU 21 HA LEU 21 -6.455 -6.633 10.593 124 HB2 LEU 21 HB2 LEU 21 -6.225 -4.267 9.085 125 HB3 LEU 21 HB3 LEU 21 -7.221 -5.350 8.133 126 HG LEU 21 HG LEU 21 -8.057 -5.328 10.912 127 HD11 LEU 21 HD11 LEU 21 -9.027 -3.008 10.774 128 HD12 LEU 21 HD12 LEU 21 -7.898 -2.703 9.453 129 HD13 LEU 21 HD13 LEU 21 -7.290 -3.098 11.061 130 HD21 LEU 21 HD21 LEU 21 -9.454 -6.197 9.165 131 HD22 LEU 21 HD22 LEU 21 -9.391 -4.668 8.288 132 HD23 LEU 21 HD23 LEU 21 -10.229 -4.765 9.840 133 H LEU 22 H LEU 22 -8.074 -7.813 9.209 134 HA LEU 22 HA LEU 22 -6.842 -10.028 7.994 135 HB2 LEU 22 HB2 LEU 22 -8.982 -10.180 9.116 136 HB3 LEU 22 HB3 LEU 22 -9.713 -9.116 7.930 137 HG LEU 22 HG LEU 22 -9.324 -10.836 6.184 138 HD11 LEU 22 HD11 LEU 22 -8.812 -13.152 6.995 139 HD12 LEU 22 HD12 LEU 22 -8.314 -12.433 8.527 140 HD13 LEU 22 HD13 LEU 22 -7.454 -12.027 7.043 141 HD21 LEU 22 HD21 LEU 22 -11.487 -10.918 6.954 142 HD22 LEU 22 HD22 LEU 22 -11.005 -11.359 8.593 143 HD23 LEU 22 HD23 LEU 22 -10.938 -12.558 7.300 144 H PHE 23 H PHE 23 -8.732 -7.391 6.439 145 HA PHE 23 HA PHE 23 -7.982 -8.458 3.829 146 HB2 PHE 23 HB2 PHE 23 -9.823 -6.194 4.616 147 HB3 PHE 23 HB3 PHE 23 -9.466 -6.630 2.945 148 HD1 PHE 23 HD1 PHE 23 -11.454 -7.352 5.843 149 HD2 PHE 23 HD2 PHE 23 -10.076 -8.933 2.140 150 HE1 PHE 23 HE1 PHE 23 -13.247 -9.034 5.899 151 HE2 PHE 23 HE2 PHE 23 -11.868 -10.618 2.189 152 HZ PHE 23 HZ PHE 23 -13.456 -10.669 4.070 153 H ASP 24 H ASP 24 -7.388 -5.674 5.843 154 HA ASP 24 HA ASP 24 -5.504 -4.650 3.854 155 HB2 ASP 24 HB2 ASP 24 -5.429 -2.610 5.462 156 HB3 ASP 24 HB3 ASP 24 -6.797 -2.801 4.378 157 H LEU 25 H LEU 25 -4.208 -6.493 4.442 158 HA LEU 25 HA LEU 25 -3.045 -7.202 6.780 159 HB2 LEU 25 HB2 LEU 25 -1.693 -6.942 4.093 160 HB3 LEU 25 HB3 LEU 25 -1.055 -7.859 5.444 161 HG LEU 25 HG LEU 25 -3.680 -8.452 4.078 162 HD11 LEU 25 HD11 LEU 25 -2.224 -10.520 3.380 163 HD12 LEU 25 HD12 LEU 25 -0.899 -9.369 3.567 164 HD13 LEU 25 HD13 LEU 25 -2.207 -9.031 2.433 165 HD21 LEU 25 HD21 LEU 25 -3.138 -10.712 5.270 166 HD22 LEU 25 HD22 LEU 25 -3.893 -9.395 6.169 167 HD23 LEU 25 HD23 LEU 25 -2.162 -9.694 6.329 168 HA PRO 26 HA PRO 26 -0.373 -4.277 8.756 169 HB2 PRO 26 HB2 PRO 26 2.064 -5.719 8.349 170 HB3 PRO 26 HB3 PRO 26 1.059 -5.673 9.797 171 HG2 PRO 26 HG2 PRO 26 1.155 -7.683 7.625 172 HG3 PRO 26 HG3 PRO 26 0.714 -7.884 9.332 173 HD2 PRO 26 HD2 PRO 26 -1.141 -7.947 7.415 174 HD3 PRO 26 HD3 PRO 26 -1.470 -7.166 8.976 175 HA PRO 27 HA PRO 27 1.629 -1.408 6.119 176 HB2 PRO 27 HB2 PRO 27 4.126 -1.790 7.698 177 HB3 PRO 27 HB3 PRO 27 3.306 -0.293 7.218 178 HG2 PRO 27 HG2 PRO 27 3.066 -1.217 9.683 179 HG3 PRO 27 HG3 PRO 27 1.671 -0.514 8.843 180 HD2 PRO 27 HD2 PRO 27 2.293 -3.375 9.418 181 HD3 PRO 27 HD3 PRO 27 0.726 -2.550 9.349 182 H ALA 28 H ALA 28 2.924 -4.559 6.329 183 HA ALA 28 HA ALA 28 5.201 -4.405 4.738 184 HB1 ALA 28 HB1 ALA 28 3.244 -6.537 5.401 185 HB2 ALA 28 HB2 ALA 28 4.992 -6.487 5.637 186 HB3 ALA 28 HB3 ALA 28 4.327 -6.814 4.037 187 H LEU 29 H LEU 29 1.766 -4.467 3.812 188 HA LEU 29 HA LEU 29 2.638 -4.284 1.011 189 HB2 LEU 29 HB2 LEU 29 0.983 -6.102 1.797 190 HB3 LEU 29 HB3 LEU 29 -0.198 -4.814 1.829 191 HG LEU 29 HG LEU 29 -0.075 -4.480 -0.505 192 HD11 LEU 29 HD11 LEU 29 2.571 -5.639 -0.192 193 HD12 LEU 29 HD12 LEU 29 1.945 -4.552 -1.427 194 HD13 LEU 29 HD13 LEU 29 1.695 -6.288 -1.575 195 HD21 LEU 29 HD21 LEU 29 -0.862 -6.877 0.570 196 HD22 LEU 29 HD22 LEU 29 0.214 -7.373 -0.735 197 HD23 LEU 29 HD23 LEU 29 -1.172 -6.340 -1.082 198 H LEU 30 H LEU 30 -0.359 -3.102 2.553 199 HA LEU 30 HA LEU 30 -0.528 -0.831 0.899 200 HB2 LEU 30 HB2 LEU 30 -2.148 -2.090 2.817 201 HB3 LEU 30 HB3 LEU 30 -1.910 -0.457 3.410 202 HG LEU 30 HG LEU 30 -3.093 -1.263 0.753 203 HD11 LEU 30 HD11 LEU 30 -5.141 -0.573 1.581 204 HD12 LEU 30 HD12 LEU 30 -4.412 0.377 2.875 205 HD13 LEU 30 HD13 LEU 30 -4.416 -1.384 2.970 206 HD21 LEU 30 HD21 LEU 30 -3.564 1.285 0.689 207 HD22 LEU 30 HD22 LEU 30 -1.979 0.693 0.194 208 HD23 LEU 30 HD23 LEU 30 -2.196 1.395 1.797 209 H GLY 31 H GLY 31 0.512 -1.046 4.326 210 HA2 GLY 31 HA2 GLY 31 0.812 1.708 4.735 211 HA3 GLY 31 HA3 GLY 31 1.643 0.463 5.643 212 H GLU 32 H GLU 32 3.403 -0.619 3.901 213 HA GLU 32 HA GLU 32 5.378 1.419 3.733 214 HB2 GLU 32 HB2 GLU 32 5.831 -0.966 4.261 215 HB3 GLU 32 HB3 GLU 32 5.487 -1.364 2.582 216 HG2 GLU 32 HG2 GLU 32 7.541 0.711 3.119 217 HG3 GLU 32 HG3 GLU 32 7.949 -0.967 3.451 218 H LEU 33 H LEU 33 3.499 -0.303 1.233 219 HA LEU 33 HA LEU 33 4.933 0.880 -0.892 220 HB2 LEU 33 HB2 LEU 33 2.203 -0.409 -0.881 221 HB3 LEU 33 HB3 LEU 33 3.022 0.163 -2.331 222 HG LEU 33 HG LEU 33 4.049 -1.993 -0.485 223 HD11 LEU 33 HD11 LEU 33 2.929 -2.207 -3.273 224 HD12 LEU 33 HD12 LEU 33 2.055 -2.619 -1.797 225 HD13 LEU 33 HD13 LEU 33 3.499 -3.527 -2.252 226 HD21 LEU 33 HD21 LEU 33 5.462 -2.270 -2.747 227 HD22 LEU 33 HD22 LEU 33 6.011 -1.307 -1.377 228 HD23 LEU 33 HD23 LEU 33 5.238 -0.521 -2.755 229 H CYS 34 H CYS 34 1.946 1.925 0.768 230 HA CYS 34 HA CYS 34 1.505 4.024 -1.130 231 HB2 CYS 34 HB2 CYS 34 -0.257 4.810 0.291 232 HB3 CYS 34 HB3 CYS 34 -0.325 3.049 0.259 233 HG CYS 34 HG CYS 34 0.462 2.618 2.780 234 H ALA 35 H ALA 35 3.254 3.814 1.918 235 HA ALA 35 HA ALA 35 3.573 6.690 2.076 236 HB1 ALA 35 HB1 ALA 35 5.324 5.428 3.887 237 HB2 ALA 35 HB2 ALA 35 3.818 4.508 3.883 238 HB3 ALA 35 HB3 ALA 35 3.794 6.239 4.224 239 H VAL 36 H VAL 36 5.839 3.948 1.704 240 HA VAL 36 HA VAL 36 8.122 5.572 1.370 241 HB VAL 36 HB VAL 36 7.624 2.683 0.657 242 HG11 VAL 36 HG11 VAL 36 9.516 4.072 -0.617 243 HG12 VAL 36 HG12 VAL 36 9.749 2.400 -0.107 244 HG13 VAL 36 HG13 VAL 36 10.395 3.720 0.870 245 HG21 VAL 36 HG21 VAL 36 9.086 2.302 2.619 246 HG22 VAL 36 HG22 VAL 36 7.593 3.149 3.023 247 HG23 VAL 36 HG23 VAL 36 9.108 4.043 2.904 248 H LEU 37 H LEU 37 6.019 4.026 -1.061 249 HA LEU 37 HA LEU 37 7.638 4.966 -3.235 250 HB2 LEU 37 HB2 LEU 37 4.815 3.912 -3.305 251 HB3 LEU 37 HB3 LEU 37 5.861 4.140 -4.697 252 HG LEU 37 HG LEU 37 6.234 2.135 -2.468 253 HD11 LEU 37 HD11 LEU 37 5.361 1.961 -5.325 254 HD12 LEU 37 HD12 LEU 37 4.575 1.328 -3.880 255 HD13 LEU 37 HD13 LEU 37 6.054 0.577 -4.482 256 HD21 LEU 37 HD21 LEU 37 8.425 2.685 -3.023 257 HD22 LEU 37 HD22 LEU 37 8.027 2.980 -4.716 258 HD23 LEU 37 HD23 LEU 37 8.075 1.329 -4.096 259 H ASP 38 H ASP 38 5.196 6.396 -1.308 260 HA ASP 38 HA ASP 38 4.001 8.167 -3.122 261 HB2 ASP 38 HB2 ASP 38 3.264 7.723 -0.744 262 HB3 ASP 38 HB3 ASP 38 4.587 8.760 -0.212 263 H SER 39 H SER 39 7.005 8.369 -1.319 264 HA SER 39 HA SER 39 7.536 11.079 -2.201 265 HB2 SER 39 HB2 SER 39 9.272 9.135 -0.655 266 HB3 SER 39 HB3 SER 39 9.625 10.842 -0.918 267 HG SER 39 HG SER 39 8.001 11.409 0.421 268 H CYS 40 H CYS 40 7.488 8.405 -3.889 269 HA CYS 40 HA CYS 40 10.077 8.129 -4.995 270 HB2 CYS 40 HB2 CYS 40 8.370 6.381 -5.165 271 HB3 CYS 40 HB3 CYS 40 7.399 7.424 -6.204 272 HG CYS 40 HG CYS 40 8.860 5.261 -7.521 273 H ASP 41 H ASP 41 10.949 8.854 -6.886 274 HA ASP 41 HA ASP 41 9.562 11.012 -8.303 275 HB2 ASP 41 HB2 ASP 41 11.276 11.825 -6.530 276 HB3 ASP 41 HB3 ASP 41 12.493 11.244 -7.663 277 H GLY 42 H GLY 42 9.657 8.461 -9.198 278 HA2 GLY 42 HA2 GLY 42 9.964 7.636 -11.383 279 HA3 GLY 42 HA3 GLY 42 11.312 8.742 -11.587 280 H ALA 43 H ALA 43 12.109 7.592 -8.745 281 HA ALA 43 HA ALA 43 14.105 5.843 -9.689 282 HB1 ALA 43 HB1 ALA 43 13.064 6.124 -6.871 283 HB2 ALA 43 HB2 ALA 43 14.315 7.127 -7.609 284 HB3 ALA 43 HB3 ALA 43 14.601 5.406 -7.349 285 H LEU 44 H LEU 44 11.000 5.215 -8.121 286 HA LEU 44 HA LEU 44 11.271 2.369 -8.849 287 HB2 LEU 44 HB2 LEU 44 9.320 3.281 -6.764 288 HB3 LEU 44 HB3 LEU 44 10.095 1.725 -6.950 289 HG LEU 44 HG LEU 44 12.194 3.511 -6.419 290 HD11 LEU 44 HD11 LEU 44 10.312 5.045 -5.655 291 HD12 LEU 44 HD12 LEU 44 11.606 4.725 -4.500 292 HD13 LEU 44 HD13 LEU 44 10.059 3.893 -4.345 293 HD21 LEU 44 HD21 LEU 44 10.772 1.359 -4.907 294 HD22 LEU 44 HD22 LEU 44 12.079 2.273 -4.152 295 HD23 LEU 44 HD23 LEU 44 12.384 1.349 -5.623 296 H GLY 45 H GLY 45 9.397 5.250 -9.046 297 HA2 GLY 45 HA2 GLY 45 7.706 5.798 -10.516 298 HA3 GLY 45 HA3 GLY 45 7.725 4.140 -11.099 299 H TRP 46 H TRP 46 6.054 6.422 -9.194 300 HA TRP 46 HA TRP 46 4.730 4.838 -7.333 301 HB2 TRP 46 HB2 TRP 46 2.761 6.474 -7.688 302 HB3 TRP 46 HB3 TRP 46 4.307 7.133 -7.130 303 HD1 TRP 46 HD1 TRP 46 1.992 7.074 -10.184 304 HE1 TRP 46 HE1 TRP 46 2.676 8.980 -11.771 305 HE3 TRP 46 HE3 TRP 46 6.265 8.600 -7.830 306 HZ2 TRP 46 HZ2 TRP 46 4.747 10.883 -11.994 307 HZ3 TRP 46 HZ3 TRP 46 7.535 10.473 -8.791 308 HH2 TRP 46 HH2 TRP 46 6.793 11.590 -10.832 309 H ARG 47 H ARG 47 3.994 5.295 -10.762 310 HA ARG 47 HA ARG 47 1.693 3.550 -10.631 311 HB2 ARG 47 HB2 ARG 47 2.087 3.770 -13.279 312 HB3 ARG 47 HB3 ARG 47 1.207 4.959 -12.337 313 HG2 ARG 47 HG2 ARG 47 2.696 6.092 -13.805 314 HG3 ARG 47 HG3 ARG 47 3.317 6.281 -12.160 315 HD2 ARG 47 HD2 ARG 47 5.273 5.554 -12.956 316 HD3 ARG 47 HD3 ARG 47 4.524 3.964 -13.093 317 HE ARG 47 HE ARG 47 4.072 5.687 -15.358 318 HH11 ARG 47 HH11 ARG 47 4.977 5.048 -17.349 319 HH12 ARG 47 HH12 ARG 47 6.190 3.813 -17.381 320 HH21 ARG 47 HH21 ARG 47 6.185 3.323 -13.915 321 HH22 ARG 47 HH22 ARG 47 6.879 2.828 -15.422 322 H GLY 48 H GLY 48 4.883 2.847 -10.490 323 HA2 GLY 48 HA2 GLY 48 5.310 0.967 -12.529 324 HA3 GLY 48 HA3 GLY 48 6.103 0.953 -10.963 325 H LEU 49 H LEU 49 3.925 0.503 -9.296 326 HA LEU 49 HA LEU 49 3.587 -2.308 -9.627 327 HB2 LEU 49 HB2 LEU 49 2.264 -0.379 -7.716 328 HB3 LEU 49 HB3 LEU 49 2.162 -2.125 -7.608 329 HG LEU 49 HG LEU 49 4.703 -0.491 -7.332 330 HD11 LEU 49 HD11 LEU 49 3.979 -0.191 -5.252 331 HD12 LEU 49 HD12 LEU 49 4.260 -1.915 -5.014 332 HD13 LEU 49 HD13 LEU 49 2.653 -1.335 -5.451 333 HD21 LEU 49 HD21 LEU 49 5.725 -2.613 -6.675 334 HD22 LEU 49 HD22 LEU 49 5.121 -2.678 -8.327 335 HD23 LEU 49 HD23 LEU 49 4.219 -3.458 -7.027 336 H ALA 50 H ALA 50 1.437 0.493 -9.998 337 HA ALA 50 HA ALA 50 -0.925 -0.950 -10.575 338 HB1 ALA 50 HB1 ALA 50 -0.952 1.392 -9.899 339 HB2 ALA 50 HB2 ALA 50 -1.795 1.160 -11.432 340 HB3 ALA 50 HB3 ALA 50 -0.170 1.842 -11.416 341 H GLU 51 H GLU 51 1.604 0.347 -12.654 342 HA GLU 51 HA GLU 51 0.368 -0.072 -15.123 343 HB2 GLU 51 HB2 GLU 51 2.345 1.367 -14.820 344 HB3 GLU 51 HB3 GLU 51 3.322 -0.053 -14.459 345 HG2 GLU 51 HG2 GLU 51 2.971 -0.897 -16.710 346 HG3 GLU 51 HG3 GLU 51 1.939 0.483 -17.081 347 H ARG 52 H ARG 52 2.452 -2.167 -13.165 348 HA ARG 52 HA ARG 52 2.699 -4.266 -15.034 349 HB2 ARG 52 HB2 ARG 52 3.385 -3.805 -12.259 350 HB3 ARG 52 HB3 ARG 52 2.772 -5.436 -12.488 351 HG2 ARG 52 HG2 ARG 52 5.120 -5.537 -12.738 352 HG3 ARG 52 HG3 ARG 52 4.427 -5.698 -14.354 353 HD2 ARG 52 HD2 ARG 52 4.952 -2.933 -13.624 354 HD3 ARG 52 HD3 ARG 52 6.406 -3.930 -13.587 355 HE ARG 52 HE ARG 52 5.098 -4.512 -15.960 356 HH11 ARG 52 HH11 ARG 52 5.691 -3.548 -17.939 357 HH12 ARG 52 HH12 ARG 52 6.529 -2.031 -17.931 358 HH21 ARG 52 HH21 ARG 52 6.578 -1.752 -14.442 359 HH22 ARG 52 HH22 ARG 52 7.030 -1.003 -15.938 360 H LEU 53 H LEU 53 0.328 -3.636 -12.479 361 HA LEU 53 HA LEU 53 -1.084 -6.089 -12.848 362 HB2 LEU 53 HB2 LEU 53 -1.071 -4.360 -10.846 363 HB3 LEU 53 HB3 LEU 53 -2.411 -3.650 -11.732 364 HG LEU 53 HG LEU 53 -2.957 -5.302 -9.854 365 HD11 LEU 53 HD11 LEU 53 -4.100 -5.714 -12.611 366 HD12 LEU 53 HD12 LEU 53 -4.644 -4.551 -11.399 367 HD13 LEU 53 HD13 LEU 53 -4.838 -6.279 -11.111 368 HD21 LEU 53 HD21 LEU 53 -1.186 -6.941 -10.839 369 HD22 LEU 53 HD22 LEU 53 -2.512 -7.438 -11.889 370 HD23 LEU 53 HD23 LEU 53 -2.677 -7.569 -10.137 371 H SER 54 H SER 54 -1.518 -2.778 -14.014 372 HA SER 54 HA SER 54 -2.739 -1.862 -15.692 373 HB2 SER 54 HB2 SER 54 -1.374 -3.765 -16.872 374 HB3 SER 54 HB3 SER 54 -2.955 -4.526 -17.047 375 HG SER 54 HG SER 54 -3.593 -2.945 -18.366 376 H SER 55 H SER 55 -4.401 -2.007 -13.777 377 HA SER 55 HA SER 55 -6.580 -3.785 -13.995 378 HB2 SER 55 HB2 SER 55 -7.741 -2.219 -12.474 379 HB3 SER 55 HB3 SER 55 -6.109 -2.589 -11.924 380 HG SER 55 HG SER 55 -6.810 -0.292 -11.930 381 H SER 56 H SER 56 -6.043 -0.539 -15.329 382 HA SER 56 HA SER 56 -7.937 -1.049 -17.418 383 HB2 SER 56 HB2 SER 56 -9.473 0.784 -16.936 384 HB3 SER 56 HB3 SER 56 -9.452 -0.347 -15.583 385 HG SER 56 HG SER 56 -9.067 1.388 -14.459 386 H TRP 57 H TRP 57 -8.008 0.686 -19.011 387 HA TRP 57 HA TRP 57 -5.450 1.737 -19.570 388 HB2 TRP 57 HB2 TRP 57 -7.045 1.130 -21.331 389 HB3 TRP 57 HB3 TRP 57 -8.123 2.423 -20.814 390 HD1 TRP 57 HD1 TRP 57 -7.811 4.696 -21.982 391 HE1 TRP 57 HE1 TRP 57 -6.045 5.717 -23.552 392 HE3 TRP 57 HE3 TRP 57 -4.299 0.981 -21.791 393 HZ2 TRP 57 HZ2 TRP 57 -3.502 5.042 -24.573 394 HZ3 TRP 57 HZ3 TRP 57 -2.230 1.247 -23.095 395 HH2 TRP 57 HH2 TRP 57 -1.841 3.235 -24.457 396 H LEU 58 H LEU 58 -8.406 3.254 -18.346 397 HA LEU 58 HA LEU 58 -7.217 5.887 -18.320 398 HB2 LEU 58 HB2 LEU 58 -9.860 4.896 -17.261 399 HB3 LEU 58 HB3 LEU 58 -9.365 6.576 -17.294 400 HG LEU 58 HG LEU 58 -9.731 4.836 -19.736 401 HD11 LEU 58 HD11 LEU 58 -11.618 6.667 -20.011 402 HD12 LEU 58 HD12 LEU 58 -11.545 6.655 -18.248 403 HD13 LEU 58 HD13 LEU 58 -11.901 5.169 -19.127 404 HD21 LEU 58 HD21 LEU 58 -9.682 7.128 -20.854 405 HD22 LEU 58 HD22 LEU 58 -8.144 6.473 -20.293 406 HD23 LEU 58 HD23 LEU 58 -8.968 7.715 -19.352 407 H ASP 59 H ASP 59 -6.746 3.329 -16.369 408 HA ASP 59 HA ASP 59 -7.087 4.292 -13.758 409 HB2 ASP 59 HB2 ASP 59 -6.605 1.927 -14.319 410 HB3 ASP 59 HB3 ASP 59 -4.961 2.382 -14.758 411 H VAL 60 H VAL 60 -4.415 4.668 -16.035 412 HA VAL 60 HA VAL 60 -2.547 5.772 -14.253 413 HB VAL 60 HB VAL 60 -1.404 6.669 -16.256 414 HG11 VAL 60 HG11 VAL 60 -0.551 4.609 -16.102 415 HG12 VAL 60 HG12 VAL 60 -1.629 4.188 -17.433 416 HG13 VAL 60 HG13 VAL 60 -2.127 3.890 -15.768 417 HG21 VAL 60 HG21 VAL 60 -2.265 6.405 -18.447 418 HG22 VAL 60 HG22 VAL 60 -3.561 7.142 -17.502 419 HG23 VAL 60 HG23 VAL 60 -3.613 5.419 -17.880 420 H ASP 61 H ASP 61 -5.278 7.224 -15.852 421 HA ASP 61 HA ASP 61 -4.484 9.931 -15.714 422 HB2 ASP 61 HB2 ASP 61 -6.401 9.145 -17.063 423 HB3 ASP 61 HB3 ASP 61 -7.281 8.771 -15.586 424 H HIS 62 H HIS 62 -6.312 7.893 -13.470 425 HA HIS 62 HA HIS 62 -6.621 9.935 -11.508 426 HB2 HIS 62 HB2 HIS 62 -8.015 7.744 -11.944 427 HB3 HIS 62 HB3 HIS 62 -6.851 7.033 -10.827 428 HD2 HIS 62 HD2 HIS 62 -7.745 7.127 -8.313 429 HE1 HIS 62 HE1 HIS 62 -10.167 10.565 -8.589 430 H ILE 63 H ILE 63 -4.124 7.662 -12.258 431 HA ILE 63 HA ILE 63 -2.902 7.375 -9.752 432 HB ILE 63 HB ILE 63 -1.720 7.313 -12.528 433 HG12 ILE 63 HG12 ILE 63 -2.163 5.101 -10.514 434 HG13 ILE 63 HG13 ILE 63 -3.301 5.504 -11.802 435 HG21 ILE 63 HG21 ILE 63 -0.275 7.743 -10.173 436 HG22 ILE 63 HG22 ILE 63 0.358 7.265 -11.749 437 HG23 ILE 63 HG23 ILE 63 -0.063 6.034 -10.557 438 HD11 ILE 63 HD11 ILE 63 -2.219 4.017 -13.035 439 HD12 ILE 63 HD12 ILE 63 -0.887 3.921 -11.887 440 HD13 ILE 63 HD13 ILE 63 -0.898 5.181 -13.120 441 H GLU 64 H GLU 64 -2.464 9.844 -12.256 442 HA GLU 64 HA GLU 64 -0.444 11.292 -10.897 443 HB2 GLU 64 HB2 GLU 64 -2.408 12.092 -13.046 444 HB3 GLU 64 HB3 GLU 64 -1.159 13.169 -12.441 445 HG2 GLU 64 HG2 GLU 64 0.569 11.698 -13.220 446 HG3 GLU 64 HG3 GLU 64 -0.619 10.477 -13.675 447 H LYS 65 H LYS 65 -3.943 11.411 -10.843 448 HA LYS 65 HA LYS 65 -4.296 13.875 -9.554 449 HB2 LYS 65 HB2 LYS 65 -6.013 11.412 -9.740 450 HB3 LYS 65 HB3 LYS 65 -6.560 12.900 -8.977 451 HG2 LYS 65 HG2 LYS 65 -6.271 14.111 -11.056 452 HG3 LYS 65 HG3 LYS 65 -5.628 12.663 -11.834 453 HD2 LYS 65 HD2 LYS 65 -7.765 11.533 -11.509 454 HD3 LYS 65 HD3 LYS 65 -8.410 12.957 -10.701 455 HE2 LYS 65 HE2 LYS 65 -8.109 14.261 -12.744 456 HE3 LYS 65 HE3 LYS 65 -7.432 12.848 -13.552 457 HZ1 LYS 65 HZ1 LYS 65 -10.080 13.585 -13.450 458 HZ2 LYS 65 HZ2 LYS 65 -9.965 12.254 -12.412 459 HZ3 LYS 65 HZ3 LYS 65 -9.455 12.118 -14.020 460 H GLU 66 H GLU 66 -4.161 10.584 -8.043 461 HA GLU 66 HA GLU 66 -4.414 11.897 -5.452 462 HB2 GLU 66 HB2 GLU 66 -4.026 8.929 -5.662 463 HB3 GLU 66 HB3 GLU 66 -4.860 9.870 -4.441 464 HG2 GLU 66 HG2 GLU 66 -6.567 10.449 -6.213 465 HG3 GLU 66 HG3 GLU 66 -5.814 9.199 -7.204 466 H VAL 67 H VAL 67 -1.809 11.248 -7.405 467 HA VAL 67 HA VAL 67 0.059 10.129 -5.662 468 HB VAL 67 HB VAL 67 0.377 10.626 -8.143 469 HG11 VAL 67 HG11 VAL 67 -0.060 12.922 -8.352 470 HG12 VAL 67 HG12 VAL 67 1.686 12.765 -8.550 471 HG13 VAL 67 HG13 VAL 67 1.022 13.335 -7.018 472 HG21 VAL 67 HG21 VAL 67 2.908 11.183 -7.688 473 HG22 VAL 67 HG22 VAL 67 2.213 9.634 -7.213 474 HG23 VAL 67 HG23 VAL 67 2.433 10.908 -6.012 475 H ASP 68 H ASP 68 -1.145 13.418 -5.833 476 HA ASP 68 HA ASP 68 0.778 14.357 -3.859 477 HB2 ASP 68 HB2 ASP 68 -1.482 15.726 -5.326 478 HB3 ASP 68 HB3 ASP 68 -0.556 16.516 -4.053 479 H GLN 69 H GLN 69 -2.017 12.625 -3.765 480 HA GLN 69 HA GLN 69 -2.956 13.821 -1.248 481 HB2 GLN 69 HB2 GLN 69 -4.364 11.895 -3.107 482 HB3 GLN 69 HB3 GLN 69 -5.039 12.561 -1.627 483 HG2 GLN 69 HG2 GLN 69 -4.250 14.130 -4.075 484 HG3 GLN 69 HG3 GLN 69 -5.893 13.710 -3.593 485 HE21 GLN 69 HE21 GLN 69 -6.275 14.352 -1.160 486 HE22 GLN 69 HE22 GLN 69 -5.851 15.986 -0.791 487 H GLY 70 H GLY 70 -0.646 11.869 -1.695 488 HA2 GLY 70 HA2 GLY 70 0.129 10.460 0.091 489 HA3 GLY 70 HA3 GLY 70 -1.532 9.979 0.384 490 H LYS 71 H LYS 71 -0.505 10.056 -2.895 491 HA LYS 71 HA LYS 71 0.554 8.462 -4.242 492 HB2 LYS 71 HB2 LYS 71 1.523 7.098 -2.572 493 HB3 LYS 71 HB3 LYS 71 -0.049 6.565 -1.991 494 HG2 LYS 71 HG2 LYS 71 0.847 4.741 -3.180 495 HG3 LYS 71 HG3 LYS 71 -0.367 5.456 -4.245 496 HD2 LYS 71 HD2 LYS 71 1.486 5.034 -5.644 497 HD3 LYS 71 HD3 LYS 71 1.572 6.760 -5.290 498 HE2 LYS 71 HE2 LYS 71 3.539 4.797 -4.903 499 HE3 LYS 71 HE3 LYS 71 3.601 6.501 -4.458 500 HZ1 LYS 71 HZ1 LYS 71 3.147 4.165 -2.788 501 HZ2 LYS 71 HZ2 LYS 71 2.188 5.515 -2.433 502 HZ3 LYS 71 HZ3 LYS 71 3.869 5.651 -2.415 503 H SER 72 H SER 72 -0.301 7.235 -5.875 504 HA SER 72 HA SER 72 -3.130 6.480 -5.711 505 HB2 SER 72 HB2 SER 72 -2.679 8.762 -6.841 506 HB3 SER 72 HB3 SER 72 -2.032 7.806 -8.165 507 HG SER 72 HG SER 72 -4.237 8.201 -8.502 508 H GLY 73 H GLY 73 -0.010 6.203 -7.375 509 HA2 GLY 73 HA2 GLY 73 -0.602 4.298 -9.274 510 HA3 GLY 73 HA3 GLY 73 0.944 4.393 -8.439 511 H THR 74 H THR 74 0.732 3.444 -6.059 512 HA THR 74 HA THR 74 -0.269 0.767 -6.460 513 HB THR 74 HB THR 74 1.971 1.015 -5.524 514 HG1 THR 74 HG1 THR 74 -0.072 -0.338 -4.258 515 HG21 THR 74 HG21 THR 74 0.600 2.298 -3.165 516 HG22 THR 74 HG22 THR 74 1.705 3.089 -4.290 517 HG23 THR 74 HG23 THR 74 2.295 1.815 -3.224 518 H ARG 75 H ARG 75 -0.943 3.563 -4.448 519 HA ARG 75 HA ARG 75 -2.592 2.328 -2.541 520 HB2 ARG 75 HB2 ARG 75 -1.614 4.622 -2.351 521 HB3 ARG 75 HB3 ARG 75 -2.790 5.174 -3.530 522 HG2 ARG 75 HG2 ARG 75 -4.610 4.577 -2.058 523 HG3 ARG 75 HG3 ARG 75 -3.474 3.941 -0.870 524 HD2 ARG 75 HD2 ARG 75 -2.503 6.179 -0.625 525 HD3 ARG 75 HD3 ARG 75 -3.659 6.804 -1.802 526 HE ARG 75 HE ARG 75 -5.080 5.533 0.250 527 HH11 ARG 75 HH11 ARG 75 -6.107 6.754 1.881 528 HH12 ARG 75 HH12 ARG 75 -5.576 8.372 2.198 529 HH21 ARG 75 HH21 ARG 75 -3.077 8.328 -0.258 530 HH22 ARG 75 HH22 ARG 75 -3.849 9.275 0.970 531 H GLU 76 H GLU 76 -3.444 3.975 -5.598 532 HA GLU 76 HA GLU 76 -6.233 3.689 -5.316 533 HB2 GLU 76 HB2 GLU 76 -5.235 5.241 -6.921 534 HB3 GLU 76 HB3 GLU 76 -4.572 3.899 -7.846 535 HG2 GLU 76 HG2 GLU 76 -6.918 3.134 -8.246 536 HG3 GLU 76 HG3 GLU 76 -7.467 4.607 -7.450 537 H LEU 77 H LEU 77 -3.783 1.607 -6.764 538 HA LEU 77 HA LEU 77 -5.505 -0.292 -7.909 539 HB2 LEU 77 HB2 LEU 77 -3.118 -0.159 -8.429 540 HB3 LEU 77 HB3 LEU 77 -2.719 -0.629 -6.788 541 HG LEU 77 HG LEU 77 -3.770 -2.837 -7.191 542 HD11 LEU 77 HD11 LEU 77 -4.147 -3.426 -9.627 543 HD12 LEU 77 HD12 LEU 77 -4.179 -1.691 -9.938 544 HD13 LEU 77 HD13 LEU 77 -5.373 -2.416 -8.861 545 HD21 LEU 77 HD21 LEU 77 -1.769 -3.577 -7.814 546 HD22 LEU 77 HD22 LEU 77 -1.305 -1.892 -8.057 547 HD23 LEU 77 HD23 LEU 77 -1.921 -2.842 -9.409 548 H LEU 78 H LEU 78 -3.958 -0.189 -4.707 549 HA LEU 78 HA LEU 78 -5.142 -2.624 -3.804 550 HB2 LEU 78 HB2 LEU 78 -3.884 -0.361 -2.239 551 HB3 LEU 78 HB3 LEU 78 -4.282 -1.938 -1.581 552 HG LEU 78 HG LEU 78 -2.248 -1.392 -3.755 553 HD11 LEU 78 HD11 LEU 78 -1.825 -2.286 -0.907 554 HD12 LEU 78 HD12 LEU 78 -1.602 -0.636 -1.485 555 HD13 LEU 78 HD13 LEU 78 -0.587 -1.933 -2.113 556 HD21 LEU 78 HD21 LEU 78 -2.489 -3.541 -4.280 557 HD22 LEU 78 HD22 LEU 78 -3.604 -3.811 -2.941 558 HD23 LEU 78 HD23 LEU 78 -1.865 -3.936 -2.677 559 H TRP 79 H TRP 79 -5.966 0.785 -3.444 560 HA TRP 79 HA TRP 79 -8.144 0.334 -1.622 561 HB2 TRP 79 HB2 TRP 79 -6.653 2.437 -1.910 562 HB3 TRP 79 HB3 TRP 79 -7.750 2.847 -3.221 563 HD1 TRP 79 HD1 TRP 79 -10.017 3.940 -2.584 564 HE1 TRP 79 HE1 TRP 79 -11.124 4.623 -0.361 565 HE3 TRP 79 HE3 TRP 79 -6.811 1.635 0.663 566 HZ2 TRP 79 HZ2 TRP 79 -10.690 4.240 2.402 567 HZ3 TRP 79 HZ3 TRP 79 -7.225 1.848 3.079 568 HH2 TRP 79 HH2 TRP 79 -9.125 3.124 3.930 569 H SER 80 H SER 80 -7.910 -0.172 -4.921 570 HA SER 80 HA SER 80 -10.241 0.940 -5.966 571 HB2 SER 80 HB2 SER 80 -10.061 -0.739 -7.749 572 HB3 SER 80 HB3 SER 80 -8.491 -0.032 -7.370 573 HG SER 80 HG SER 80 -7.822 -1.894 -6.544 574 H TRP 81 H TRP 81 -9.854 -2.160 -4.255 575 HA TRP 81 HA TRP 81 -12.662 -2.767 -4.701 576 HB2 TRP 81 HB2 TRP 81 -10.360 -4.234 -3.463 577 HB3 TRP 81 HB3 TRP 81 -12.009 -4.737 -3.090 578 HD1 TRP 81 HD1 TRP 81 -9.364 -4.995 -5.736 579 HE1 TRP 81 HE1 TRP 81 -10.251 -6.383 -7.714 580 HE3 TRP 81 HE3 TRP 81 -14.305 -5.200 -4.434 581 HZ2 TRP 81 HZ2 TRP 81 -12.720 -7.425 -8.605 582 HZ3 TRP 81 HZ3 TRP 81 -15.862 -6.412 -5.903 583 HH2 TRP 81 HH2 TRP 81 -15.085 -7.500 -7.945 584 H ALA 82 H ALA 82 -11.140 -3.391 -1.608 585 HA ALA 82 HA ALA 82 -13.166 -1.674 -0.334 586 HB1 ALA 82 HB1 ALA 82 -13.649 -3.574 0.758 587 HB2 ALA 82 HB2 ALA 82 -12.175 -3.264 1.677 588 HB3 ALA 82 HB3 ALA 82 -12.135 -4.341 0.279 589 H GLN 83 H GLN 83 -10.284 -2.988 1.175 590 HA GLN 83 HA GLN 83 -9.286 -0.244 1.561 591 HB2 GLN 83 HB2 GLN 83 -8.573 -2.724 3.149 592 HB3 GLN 83 HB3 GLN 83 -8.091 -1.071 3.512 593 HG2 GLN 83 HG2 GLN 83 -9.817 -1.126 4.931 594 HG3 GLN 83 HG3 GLN 83 -10.788 -0.829 3.489 595 HE21 GLN 83 HE21 GLN 83 -11.572 -2.164 5.925 596 HE22 GLN 83 HE22 GLN 83 -12.043 -3.765 5.483 597 H LYS 84 H LYS 84 -8.090 -3.580 1.233 598 HA LYS 84 HA LYS 84 -6.144 -2.602 -0.724 599 HB2 LYS 84 HB2 LYS 84 -4.789 -2.850 1.200 600 HB3 LYS 84 HB3 LYS 84 -5.585 -4.340 1.675 601 HG2 LYS 84 HG2 LYS 84 -4.508 -5.568 -0.040 602 HG3 LYS 84 HG3 LYS 84 -3.925 -4.101 -0.817 603 HD2 LYS 84 HD2 LYS 84 -2.157 -5.269 0.419 604 HD3 LYS 84 HD3 LYS 84 -2.454 -3.662 1.072 605 HE2 LYS 84 HE2 LYS 84 -2.171 -5.334 2.835 606 HE3 LYS 84 HE3 LYS 84 -3.777 -4.608 2.867 607 HZ1 LYS 84 HZ1 LYS 84 -3.241 -7.264 2.869 608 HZ2 LYS 84 HZ2 LYS 84 -3.637 -6.983 1.250 609 HZ3 LYS 84 HZ3 LYS 84 -4.736 -6.572 2.474 610 H ASN 85 H ASN 85 -7.809 -5.397 0.666 611 HA ASN 85 HA ASN 85 -8.491 -7.401 -0.168 612 HB2 ASN 85 HB2 ASN 85 -9.937 -5.630 -1.361 613 HB3 ASN 85 HB3 ASN 85 -8.969 -6.003 -2.785 614 HD21 ASN 85 HD21 ASN 85 -10.419 -7.035 -4.027 615 HD22 ASN 85 HD22 ASN 85 -11.241 -8.484 -3.579 616 H LYS 86 H LYS 86 -5.691 -6.976 -0.407 617 HA LYS 86 HA LYS 86 -5.129 -8.820 -2.602 618 HB2 LYS 86 HB2 LYS 86 -4.122 -6.068 -2.338 619 HB3 LYS 86 HB3 LYS 86 -2.857 -7.265 -2.575 620 HG2 LYS 86 HG2 LYS 86 -3.269 -6.857 -4.746 621 HG3 LYS 86 HG3 LYS 86 -4.570 -8.025 -4.505 622 HD2 LYS 86 HD2 LYS 86 -6.068 -6.083 -3.950 623 HD3 LYS 86 HD3 LYS 86 -4.761 -5.016 -4.470 624 HE2 LYS 86 HE2 LYS 86 -4.789 -6.234 -6.672 625 HE3 LYS 86 HE3 LYS 86 -6.263 -7.034 -6.123 626 HZ1 LYS 86 HZ1 LYS 86 -6.002 -4.514 -7.307 627 HZ2 LYS 86 HZ2 LYS 86 -6.560 -4.279 -5.729 628 HZ3 LYS 86 HZ3 LYS 86 -7.414 -5.285 -6.787 629 H THR 87 H THR 87 -2.839 -9.747 -2.316 630 HA THR 87 HA THR 87 -2.211 -9.886 0.555 631 HB THR 87 HB THR 87 -1.614 -12.240 0.326 632 HG1 THR 87 HG1 THR 87 -2.545 -13.166 -1.808 633 HG21 THR 87 HG21 THR 87 -3.805 -13.162 0.239 634 HG22 THR 87 HG22 THR 87 -4.381 -11.865 -0.811 635 HG23 THR 87 HG23 THR 87 -3.976 -11.523 0.870 636 H ILE 88 H ILE 88 -0.001 -10.483 1.043 637 HA ILE 88 HA ILE 88 1.866 -8.941 -0.355 638 HB ILE 88 HB ILE 88 1.939 -10.811 1.919 639 HG12 ILE 88 HG12 ILE 88 1.635 -8.425 2.227 640 HG13 ILE 88 HG13 ILE 88 3.178 -8.918 2.907 641 HG21 ILE 88 HG21 ILE 88 4.204 -10.616 0.067 642 HG22 ILE 88 HG22 ILE 88 3.841 -11.826 1.297 643 HG23 ILE 88 HG23 ILE 88 4.596 -10.300 1.756 644 HD11 ILE 88 HD11 ILE 88 2.654 -7.358 0.430 645 HD12 ILE 88 HD12 ILE 88 4.190 -8.181 0.689 646 HD13 ILE 88 HD13 ILE 88 3.652 -6.936 1.820 647 H GLY 89 H GLY 89 1.151 -12.415 -0.546 648 HA2 GLY 89 HA2 GLY 89 3.399 -13.197 -2.044 649 HA3 GLY 89 HA3 GLY 89 1.847 -14.025 -2.038 650 H ASP 90 H ASP 90 0.255 -11.970 -3.108 651 HA ASP 90 HA ASP 90 0.722 -12.327 -5.886 652 HB2 ASP 90 HB2 ASP 90 -1.535 -12.026 -4.859 653 HB3 ASP 90 HB3 ASP 90 -1.135 -10.339 -4.560 654 H LEU 91 H LEU 91 1.178 -9.607 -3.688 655 HA LEU 91 HA LEU 91 2.043 -7.801 -5.739 656 HB2 LEU 91 HB2 LEU 91 1.181 -7.570 -3.108 657 HB3 LEU 91 HB3 LEU 91 2.863 -7.072 -3.038 658 HG LEU 91 HG LEU 91 1.740 -5.046 -3.409 659 HD11 LEU 91 HD11 LEU 91 1.904 -5.496 -6.300 660 HD12 LEU 91 HD12 LEU 91 3.358 -5.938 -5.405 661 HD13 LEU 91 HD13 LEU 91 2.709 -4.302 -5.281 662 HD21 LEU 91 HD21 LEU 91 -0.228 -6.775 -4.705 663 HD22 LEU 91 HD22 LEU 91 0.005 -5.231 -5.527 664 HD23 LEU 91 HD23 LEU 91 -0.448 -5.263 -3.822 665 H LEU 92 H LEU 92 3.601 -10.147 -3.732 666 HA LEU 92 HA LEU 92 6.219 -9.168 -3.686 667 HB2 LEU 92 HB2 LEU 92 5.494 -11.063 -2.340 668 HB3 LEU 92 HB3 LEU 92 5.235 -12.020 -3.784 669 HG LEU 92 HG LEU 92 7.655 -11.961 -4.248 670 HD11 LEU 92 HD11 LEU 92 8.584 -10.082 -3.334 671 HD12 LEU 92 HD12 LEU 92 9.018 -11.270 -2.104 672 HD13 LEU 92 HD13 LEU 92 7.639 -10.202 -1.849 673 HD21 LEU 92 HD21 LEU 92 6.671 -13.812 -2.982 674 HD22 LEU 92 HD22 LEU 92 6.973 -12.941 -1.479 675 HD23 LEU 92 HD23 LEU 92 8.325 -13.479 -2.473 676 H GLN 93 H GLN 93 4.549 -11.122 -6.114 677 HA GLN 93 HA GLN 93 6.750 -11.616 -7.796 678 HB2 GLN 93 HB2 GLN 93 3.787 -11.410 -8.364 679 HB3 GLN 93 HB3 GLN 93 4.966 -11.941 -9.556 680 HG2 GLN 93 HG2 GLN 93 5.529 -13.859 -8.261 681 HG3 GLN 93 HG3 GLN 93 4.577 -13.281 -6.893 682 HE21 GLN 93 HE21 GLN 93 2.420 -13.636 -6.841 683 HE22 GLN 93 HE22 GLN 93 1.567 -14.551 -8.035 684 H VAL 94 H VAL 94 4.395 -8.984 -7.694 685 HA VAL 94 HA VAL 94 5.353 -7.604 -9.989 686 HB VAL 94 HB VAL 94 3.753 -6.586 -7.631 687 HG11 VAL 94 HG11 VAL 94 3.281 -4.631 -8.813 688 HG12 VAL 94 HG12 VAL 94 3.863 -5.299 -10.338 689 HG13 VAL 94 HG13 VAL 94 5.010 -4.873 -9.067 690 HG21 VAL 94 HG21 VAL 94 2.103 -7.799 -8.503 691 HG22 VAL 94 HG22 VAL 94 3.070 -8.215 -9.918 692 HG23 VAL 94 HG23 VAL 94 2.140 -6.717 -9.896 693 H LEU 95 H LEU 95 5.978 -7.366 -6.519 694 HA LEU 95 HA LEU 95 7.609 -5.092 -6.499 695 HB2 LEU 95 HB2 LEU 95 7.061 -7.346 -4.704 696 HB3 LEU 95 HB3 LEU 95 8.654 -6.652 -4.502 697 HG LEU 95 HG LEU 95 7.787 -4.565 -3.829 698 HD11 LEU 95 HD11 LEU 95 5.994 -3.691 -4.785 699 HD12 LEU 95 HD12 LEU 95 4.981 -4.841 -3.912 700 HD13 LEU 95 HD13 LEU 95 5.597 -5.250 -5.514 701 HD21 LEU 95 HD21 LEU 95 6.262 -5.135 -1.979 702 HD22 LEU 95 HD22 LEU 95 7.632 -6.241 -2.098 703 HD23 LEU 95 HD23 LEU 95 6.045 -6.738 -2.680 704 H GLN 96 H GLN 96 8.443 -8.511 -6.934 705 HA GLN 96 HA GLN 96 11.242 -8.168 -7.000 706 HB2 GLN 96 HB2 GLN 96 9.452 -10.294 -8.178 707 HB3 GLN 96 HB3 GLN 96 11.206 -10.375 -8.250 708 HG2 GLN 96 HG2 GLN 96 11.367 -10.482 -5.870 709 HG3 GLN 96 HG3 GLN 96 9.642 -10.162 -5.691 710 HE21 GLN 96 HE21 GLN 96 11.242 -12.416 -4.742 711 HE22 GLN 96 HE22 GLN 96 10.513 -13.830 -5.412 712 H GLU 97 H GLU 97 8.798 -8.105 -9.560 713 HA GLU 97 HA GLU 97 10.577 -7.936 -11.741 714 HB2 GLU 97 HB2 GLU 97 8.206 -8.511 -12.002 715 HB3 GLU 97 HB3 GLU 97 7.745 -6.895 -11.479 716 HG2 GLU 97 HG2 GLU 97 7.554 -7.032 -13.861 717 HG3 GLU 97 HG3 GLU 97 8.898 -5.966 -13.459 718 H MET 98 H MET 98 8.921 -5.402 -9.868 719 HA MET 98 HA MET 98 10.057 -3.253 -11.343 720 HB2 MET 98 HB2 MET 98 8.707 -3.350 -8.655 721 HB3 MET 98 HB3 MET 98 9.272 -1.857 -9.390 722 HG2 MET 98 HG2 MET 98 7.174 -3.726 -10.467 723 HG3 MET 98 HG3 MET 98 6.929 -2.108 -9.813 724 HE1 MET 98 HE1 MET 98 8.178 -0.139 -10.623 725 HE2 MET 98 HE2 MET 98 8.143 0.296 -12.334 726 HE3 MET 98 HE3 MET 98 9.578 -0.463 -11.645 727 H GLY 99 H GLY 99 11.000 -4.889 -8.352 728 HA2 GLY 99 HA2 GLY 99 13.227 -5.045 -7.598 729 HA3 GLY 99 HA3 GLY 99 13.653 -3.698 -8.640 730 H HIS 100 H HIS 100 11.043 -3.827 -6.227 731 HA HIS 100 HA HIS 100 11.965 -1.348 -5.079 732 HB2 HIS 100 HB2 HIS 100 9.738 -3.199 -4.201 733 HB3 HIS 100 HB3 HIS 100 10.046 -1.605 -3.529 734 HD2 HIS 100 HD2 HIS 100 7.938 -3.195 -6.168 735 HE1 HIS 100 HE1 HIS 100 8.172 0.863 -7.265 736 H ARG 101 H ARG 101 13.891 -1.612 -4.073 737 HA ARG 101 HA ARG 101 14.661 -3.799 -2.491 738 HB2 ARG 101 HB2 ARG 101 15.652 -0.959 -2.625 739 HB3 ARG 101 HB3 ARG 101 16.426 -2.196 -1.642 740 HG2 ARG 101 HG2 ARG 101 16.926 -3.508 -3.601 741 HG3 ARG 101 HG3 ARG 101 16.031 -2.382 -4.621 742 HD2 ARG 101 HD2 ARG 101 18.399 -1.953 -4.823 743 HD3 ARG 101 HD3 ARG 101 17.621 -0.602 -3.999 744 HE ARG 101 HE ARG 101 18.608 -2.469 -2.117 745 HH11 ARG 101 HH11 ARG 101 20.480 -1.966 -0.915 746 HH12 ARG 101 HH12 ARG 101 21.554 -0.733 -1.485 747 HH21 ARG 101 HH21 ARG 101 19.663 -0.009 -4.341 748 HH22 ARG 101 HH22 ARG 101 21.089 0.385 -3.439 749 H ARG 102 H ARG 102 13.233 -0.679 -1.555 750 HA ARG 102 HA ARG 102 13.492 -1.066 1.232 751 HB2 ARG 102 HB2 ARG 102 13.038 1.132 0.123 752 HB3 ARG 102 HB3 ARG 102 11.387 0.593 -0.157 753 HG2 ARG 102 HG2 ARG 102 11.116 1.783 1.776 754 HG3 ARG 102 HG3 ARG 102 11.410 0.166 2.431 755 HD2 ARG 102 HD2 ARG 102 13.681 2.069 1.973 756 HD3 ARG 102 HD3 ARG 102 12.688 2.198 3.422 757 HE ARG 102 HE ARG 102 13.476 -0.456 3.201 758 HH11 ARG 102 HH11 ARG 102 15.244 -1.290 4.384 759 HH12 ARG 102 HH12 ARG 102 16.459 -0.208 4.977 760 HH21 ARG 102 HH21 ARG 102 14.947 2.665 3.668 761 HH22 ARG 102 HH22 ARG 102 16.291 2.046 4.570 762 H ALA 103 H ALA 103 10.996 -1.946 -1.055 763 HA ALA 103 HA ALA 103 8.932 -2.573 0.735 764 HB1 ALA 103 HB1 ALA 103 8.027 -3.949 -1.113 765 HB2 ALA 103 HB2 ALA 103 9.533 -3.697 -1.997 766 HB3 ALA 103 HB3 ALA 103 8.494 -2.322 -1.610 767 H ILE 104 H ILE 104 11.622 -4.605 -0.454 768 HA ILE 104 HA ILE 104 10.590 -6.994 0.692 769 HB ILE 104 HB ILE 104 12.733 -8.022 0.282 770 HG12 ILE 104 HG12 ILE 104 13.783 -5.293 -0.500 771 HG13 ILE 104 HG13 ILE 104 14.118 -6.067 1.046 772 HG21 ILE 104 HG21 ILE 104 12.200 -6.171 -2.027 773 HG22 ILE 104 HG22 ILE 104 11.125 -7.500 -1.596 774 HG23 ILE 104 HG23 ILE 104 12.790 -7.834 -2.069 775 HD11 ILE 104 HD11 ILE 104 14.809 -7.312 -1.599 776 HD12 ILE 104 HD12 ILE 104 15.351 -7.799 0.006 777 HD13 ILE 104 HD13 ILE 104 15.911 -6.278 -0.689 778 H HIS 105 H HIS 105 12.433 -4.351 1.997 779 HA HIS 105 HA HIS 105 13.403 -5.728 4.297 780 HB2 HIS 105 HB2 HIS 105 13.055 -2.813 3.628 781 HB3 HIS 105 HB3 HIS 105 13.570 -3.327 5.230 782 HD2 HIS 105 HD2 HIS 105 14.998 -2.784 1.718 783 HE1 HIS 105 HE1 HIS 105 18.085 -4.478 4.032 784 H LEU 106 H LEU 106 10.509 -3.828 3.604 785 HA LEU 106 HA LEU 106 9.514 -4.108 6.308 786 HB2 LEU 106 HB2 LEU 106 9.073 -2.351 4.189 787 HB3 LEU 106 HB3 LEU 106 7.550 -3.192 4.396 788 HG LEU 106 HG LEU 106 7.673 -1.082 5.669 789 HD11 LEU 106 HD11 LEU 106 6.461 -1.870 7.410 790 HD12 LEU 106 HD12 LEU 106 7.610 -3.159 7.773 791 HD13 LEU 106 HD13 LEU 106 6.492 -3.328 6.418 792 HD21 LEU 106 HD21 LEU 106 10.243 -1.888 6.270 793 HD22 LEU 106 HD22 LEU 106 9.371 -2.089 7.790 794 HD23 LEU 106 HD23 LEU 106 9.383 -0.522 6.980 795 H ILE 107 H ILE 107 9.171 -5.849 3.332 796 HA ILE 107 HA ILE 107 6.642 -6.996 3.744 797 HB ILE 107 HB ILE 107 8.049 -7.060 1.613 798 HG12 ILE 107 HG12 ILE 107 6.822 -9.701 2.383 799 HG13 ILE 107 HG13 ILE 107 5.863 -8.264 2.041 800 HG21 ILE 107 HG21 ILE 107 9.155 -9.556 2.895 801 HG22 ILE 107 HG22 ILE 107 10.062 -8.064 2.639 802 HG23 ILE 107 HG23 ILE 107 9.467 -8.984 1.256 803 HD11 ILE 107 HD11 ILE 107 6.260 -8.360 -0.183 804 HD12 ILE 107 HD12 ILE 107 6.436 -10.075 0.191 805 HD13 ILE 107 HD13 ILE 107 7.868 -9.058 0.018 806 H THR 108 H THR 108 9.649 -7.598 5.297 807 HA THR 108 HA THR 108 9.227 -10.269 6.111 808 HB THR 108 HB THR 108 11.432 -9.054 6.203 809 HG1 THR 108 HG1 THR 108 10.376 -10.570 8.335 810 HG21 THR 108 HG21 THR 108 11.218 -7.034 7.252 811 HG22 THR 108 HG22 THR 108 11.698 -8.014 8.639 812 HG23 THR 108 HG23 THR 108 9.997 -7.624 8.380 813 H ASN 109 H ASN 109 7.730 -7.340 7.111 814 HA ASN 109 HA ASN 109 7.078 -8.240 9.773 815 HB2 ASN 109 HB2 ASN 109 6.109 -5.925 8.099 816 HB3 ASN 109 HB3 ASN 109 5.461 -6.271 9.701 817 HD21 ASN 109 HD21 ASN 109 7.129 -6.479 11.445 818 HD22 ASN 109 HD22 ASN 109 8.456 -5.370 11.404 819 H TYR 110 H TYR 110 5.936 -9.043 6.729 820 HA TYR 110 HA TYR 110 3.170 -9.422 7.329 821 HB2 TYR 110 HB2 TYR 110 3.809 -9.189 5.023 822 HB3 TYR 110 HB3 TYR 110 4.946 -10.527 5.145 823 HD1 TYR 110 HD1 TYR 110 1.294 -9.749 5.348 824 HD2 TYR 110 HD2 TYR 110 4.284 -12.682 4.570 825 HE1 TYR 110 HE1 TYR 110 -0.441 -11.313 4.581 826 HE2 TYR 110 HE2 TYR 110 2.555 -14.248 3.800 827 HH TYR 110 HH TYR 110 0.263 -14.653 3.893 828 H GLY 111 H GLY 111 2.105 -11.204 8.078 829 HA2 GLY 111 HA2 GLY 111 2.254 -13.714 8.276 830 HA3 GLY 111 HA3 GLY 111 3.816 -13.418 9.024 831 H ALA 112 H ALA 112 2.146 -10.913 10.102 832 HA ALA 112 HA ALA 112 1.804 -11.880 12.718 833 HB1 ALA 112 HB1 ALA 112 2.124 -9.484 12.053 834 HB2 ALA 112 HB2 ALA 112 0.844 -9.758 13.236 835 HB3 ALA 112 HB3 ALA 112 0.434 -9.464 11.547 836 H VAL 113 H VAL 113 -0.463 -11.470 10.056 837 HA VAL 113 HA VAL 113 -2.427 -13.067 11.547 838 HB VAL 113 HB VAL 113 -4.255 -11.787 10.454 839 HG11 VAL 113 HG11 VAL 113 -3.964 -11.114 12.644 840 HG12 VAL 113 HG12 VAL 113 -3.769 -9.592 11.774 841 HG13 VAL 113 HG13 VAL 113 -2.350 -10.471 12.343 842 HG21 VAL 113 HG21 VAL 113 -3.931 -9.906 9.157 843 HG22 VAL 113 HG22 VAL 113 -2.581 -10.921 8.643 844 HG23 VAL 113 HG23 VAL 113 -2.313 -9.612 9.797 845 H LEU 114 H LEU 114 -3.975 -14.203 10.131 846 HA LEU 114 HA LEU 114 -2.583 -15.288 7.826 847 HB2 LEU 114 HB2 LEU 114 -3.622 -16.817 9.433 848 HB3 LEU 114 HB3 LEU 114 -5.186 -16.086 9.134 849 HG LEU 114 HG LEU 114 -5.097 -16.895 6.794 850 HD11 LEU 114 HD11 LEU 114 -2.379 -17.607 7.608 851 HD12 LEU 114 HD12 LEU 114 -3.051 -17.325 6.000 852 HD13 LEU 114 HD13 LEU 114 -3.243 -18.899 6.774 853 HD21 LEU 114 HD21 LEU 114 -6.246 -18.206 8.489 854 HD22 LEU 114 HD22 LEU 114 -4.738 -19.020 8.905 855 HD23 LEU 114 HD23 LEU 114 -5.460 -19.262 7.316 856 H SER 115 H SER 115 -2.989 -14.733 5.791 857 HA SER 115 HA SER 115 -4.876 -12.711 5.142 858 HB2 SER 115 HB2 SER 115 -3.189 -14.520 3.398 859 HB3 SER 115 HB3 SER 115 -4.160 -13.186 2.779 860 HG SER 115 HG SER 115 -1.706 -13.107 3.823 861 HA PRO 116 HA PRO 116 -8.452 -15.174 4.282 862 HB2 PRO 116 HB2 PRO 116 -9.742 -13.578 2.509 863 HB3 PRO 116 HB3 PRO 116 -9.630 -13.194 4.232 864 HG2 PRO 116 HG2 PRO 116 -7.986 -12.154 1.951 865 HG3 PRO 116 HG3 PRO 116 -8.706 -11.263 3.306 866 HD2 PRO 116 HD2 PRO 116 -6.097 -11.973 3.264 867 HD3 PRO 116 HD3 PRO 116 -7.033 -11.886 4.768 868 H SER 117 H SER 117 -9.199 -16.674 2.820 869 HA SER 117 HA SER 117 -7.521 -17.136 0.498 870 HB2 SER 117 HB2 SER 117 -8.656 -19.304 0.367 871 HB3 SER 117 HB3 SER 117 -8.078 -19.008 2.006 872 HG SER 117 HG SER 117 -10.308 -19.810 1.770 873 H GLU 118 H GLU 118 -10.406 -15.550 1.136 874 HA GLU 118 HA GLU 118 -11.157 -15.677 -1.703 875 HB2 GLU 118 HB2 GLU 118 -13.064 -15.585 0.643 876 HB3 GLU 118 HB3 GLU 118 -13.531 -15.491 -1.047 877 HG2 GLU 118 HG2 GLU 118 -12.108 -17.843 0.175 878 HG3 GLU 118 HG3 GLU 118 -13.858 -17.726 0.003 879 H LYS 119 H LYS 119 -12.003 -13.781 -2.596 880 HA LYS 119 HA LYS 119 -11.028 -11.357 -1.404 881 HB2 LYS 119 HB2 LYS 119 -12.609 -11.851 -3.934 882 HB3 LYS 119 HB3 LYS 119 -11.959 -10.290 -3.460 883 HG2 LYS 119 HG2 LYS 119 -9.686 -11.265 -3.509 884 HG3 LYS 119 HG3 LYS 119 -10.383 -12.770 -4.109 885 HD2 LYS 119 HD2 LYS 119 -10.711 -10.108 -5.487 886 HD3 LYS 119 HD3 LYS 119 -9.430 -11.258 -5.874 887 HE2 LYS 119 HE2 LYS 119 -11.155 -12.951 -6.389 888 HE3 LYS 119 HE3 LYS 119 -12.402 -11.744 -6.077 889 HZ1 LYS 119 HZ1 LYS 119 -11.655 -10.457 -7.913 890 HZ2 LYS 119 HZ2 LYS 119 -11.830 -12.046 -8.461 891 HZ3 LYS 119 HZ3 LYS 119 -10.289 -11.431 -8.139 892 H SER 120 H SER 120 -12.307 -9.483 -0.921 893 HA SER 120 HA SER 120 -14.640 -10.058 0.573 894 HB2 SER 120 HB2 SER 120 -14.801 -7.627 0.893 895 HB3 SER 120 HB3 SER 120 -13.144 -8.186 1.125 896 HG SER 120 HG SER 120 -13.518 -6.240 -0.244 897 H TYR 121 H TYR 121 -14.136 -9.002 -2.709 898 HA TYR 121 HA TYR 121 -15.504 -8.628 -4.476 899 HB2 TYR 121 HB2 TYR 121 -17.288 -10.403 -2.820 900 HB3 TYR 121 HB3 TYR 121 -17.794 -9.778 -4.386 901 HD1 TYR 121 HD1 TYR 121 -15.914 -12.312 -2.674 902 HD2 TYR 121 HD2 TYR 121 -16.380 -10.348 -6.418 903 HE1 TYR 121 HE1 TYR 121 -14.764 -14.176 -3.790 904 HE2 TYR 121 HE2 TYR 121 -15.230 -12.204 -7.543 905 HH TYR 121 HH TYR 121 -13.342 -14.154 -6.412 906 H GLN 122 H GLN 122 -15.448 -6.707 -2.311 907 HA GLN 122 HA GLN 122 -18.020 -5.378 -2.837 908 HB2 GLN 122 HB2 GLN 122 -16.477 -5.475 -0.238 909 HB3 GLN 122 HB3 GLN 122 -17.777 -4.336 -0.549 910 HG2 GLN 122 HG2 GLN 122 -19.374 -6.102 -0.738 911 HG3 GLN 122 HG3 GLN 122 -18.102 -7.322 -0.680 912 HE21 GLN 122 HE21 GLN 122 -20.430 -6.980 1.041 913 HE22 GLN 122 HE22 GLN 122 -19.818 -6.813 2.646 914 H GLU 123 H GLU 123 -17.921 -3.107 -3.075 915 HA GLU 123 HA GLU 123 -15.192 -2.052 -3.418 916 HB2 GLU 123 HB2 GLU 123 -17.676 -1.525 -5.054 917 HB3 GLU 123 HB3 GLU 123 -16.231 -0.532 -5.160 918 HG2 GLU 123 HG2 GLU 123 -14.939 -2.384 -5.960 919 HG3 GLU 123 HG3 GLU 123 -16.277 -3.496 -5.676 920 H GLY 124 H GLY 124 -14.686 -0.207 -2.404 921 HA2 GLY 124 HA2 GLY 124 -15.228 1.993 -1.599 922 HA3 GLY 124 HA3 GLY 124 -16.877 1.448 -1.331 Start of MODEL 11 1 H1 SER 1 HT1 SER 1 8.651 9.420 -20.168 2 H2 SER 1 HT2 SER 1 10.283 9.323 -19.732 3 H3 SER 1 HT3 SER 1 9.616 8.161 -20.764 4 HA SER 1 HA SER 1 10.920 9.659 -22.061 5 HB2 SER 1 HB2 SER 1 8.424 10.806 -22.934 6 HB3 SER 1 HB3 SER 1 9.380 9.529 -23.688 7 HG SER 1 HG SER 1 8.165 8.546 -21.527 8 H GLU 2 H GLU 2 9.570 11.032 -19.412 9 HA GLU 2 HA GLU 2 10.684 13.634 -20.058 10 HB2 GLU 2 HB2 GLU 2 8.680 14.862 -19.325 11 HB3 GLU 2 HB3 GLU 2 8.359 13.893 -20.755 12 HG2 GLU 2 HG2 GLU 2 7.312 12.178 -19.335 13 HG3 GLU 2 HG3 GLU 2 7.591 13.200 -17.927 14 H PHE 3 H PHE 3 10.954 14.996 -18.146 15 HA PHE 3 HA PHE 3 10.895 13.473 -15.630 16 HB2 PHE 3 HB2 PHE 3 13.146 15.248 -16.608 17 HB3 PHE 3 HB3 PHE 3 13.056 14.523 -15.008 18 HD1 PHE 3 HD1 PHE 3 13.937 14.028 -18.468 19 HD2 PHE 3 HD2 PHE 3 13.170 12.041 -14.781 20 HE1 PHE 3 HE1 PHE 3 15.070 12.016 -19.320 21 HE2 PHE 3 HE2 PHE 3 14.304 10.027 -15.627 22 HZ PHE 3 HZ PHE 3 15.256 10.014 -17.899 23 H GLY 4 H GLY 4 10.560 14.679 -13.741 24 HA2 GLY 4 HA2 GLY 4 10.480 16.962 -12.744 25 HA3 GLY 4 HA3 GLY 4 9.638 17.447 -14.209 26 H SER 5 H SER 5 9.312 16.257 -11.056 27 HA SER 5 HA SER 5 6.446 16.341 -11.248 28 HB2 SER 5 HB2 SER 5 6.066 14.064 -10.387 29 HB3 SER 5 HB3 SER 5 6.867 14.030 -11.959 30 HG SER 5 HG SER 5 8.293 13.886 -9.508 31 H MET 6 H MET 6 5.435 15.926 -9.050 32 HA MET 6 HA MET 6 7.280 16.714 -6.896 33 HB2 MET 6 HB2 MET 6 4.477 17.753 -7.377 34 HB3 MET 6 HB3 MET 6 5.448 18.105 -5.954 35 HG2 MET 6 HG2 MET 6 7.089 19.248 -7.326 36 HG3 MET 6 HG3 MET 6 6.175 18.848 -8.780 37 HE1 MET 6 HE1 MET 6 5.583 22.690 -8.537 38 HE2 MET 6 HE2 MET 6 5.986 21.352 -9.611 39 HE3 MET 6 HE3 MET 6 7.059 21.760 -8.272 40 H ALA 7 H ALA 7 6.715 15.996 -4.780 41 HA ALA 7 HA ALA 7 4.597 13.971 -4.636 42 HB1 ALA 7 HB1 ALA 7 6.900 12.960 -5.089 43 HB2 ALA 7 HB2 ALA 7 5.983 12.310 -3.730 44 HB3 ALA 7 HB3 ALA 7 7.301 13.446 -3.442 45 H GLY 8 H GLY 8 3.792 13.577 -2.529 46 HA2 GLY 8 HA2 GLY 8 4.001 15.887 -0.793 47 HA3 GLY 8 HA3 GLY 8 2.892 14.538 -0.604 48 H ASN 9 H ASN 9 4.099 15.557 1.598 49 HA ASN 9 HA ASN 9 6.363 13.808 2.218 50 HB2 ASN 9 HB2 ASN 9 6.475 16.259 2.764 51 HB3 ASN 9 HB3 ASN 9 5.174 16.004 3.925 52 HD21 ASN 9 HD21 ASN 9 6.310 16.488 5.742 53 HD22 ASN 9 HD22 ASN 9 7.633 15.544 6.323 54 H CYS 10 H CYS 10 5.783 11.842 2.907 55 HA CYS 10 HA CYS 10 3.591 11.661 4.869 56 HB2 CYS 10 HB2 CYS 10 2.960 10.657 2.698 57 HB3 CYS 10 HB3 CYS 10 4.361 9.594 2.794 58 HG CYS 10 HG CYS 10 1.578 8.607 3.511 59 H GLY 11 H GLY 11 4.104 10.766 6.779 60 HA2 GLY 11 HA2 GLY 11 6.809 10.094 7.361 61 HA3 GLY 11 HA3 GLY 11 5.448 9.948 8.460 62 H ALA 12 H ALA 12 7.750 8.158 7.889 63 HA ALA 12 HA ALA 12 6.642 5.836 6.599 64 HB1 ALA 12 HB1 ALA 12 8.735 4.865 6.814 65 HB2 ALA 12 HB2 ALA 12 9.121 5.781 8.271 66 HB3 ALA 12 HB3 ALA 12 9.120 6.582 6.701 67 H ARG 13 H ARG 13 6.208 3.832 7.582 68 HA ARG 13 HA ARG 13 4.956 4.042 10.154 69 HB2 ARG 13 HB2 ARG 13 5.090 2.028 7.986 70 HB3 ARG 13 HB3 ARG 13 4.826 1.398 9.607 71 HG2 ARG 13 HG2 ARG 13 2.722 1.770 8.439 72 HG3 ARG 13 HG3 ARG 13 2.859 2.814 9.855 73 HD2 ARG 13 HD2 ARG 13 3.378 4.706 8.500 74 HD3 ARG 13 HD3 ARG 13 3.552 3.702 7.061 75 HE ARG 13 HE ARG 13 0.983 3.285 7.893 76 HH11 ARG 13 HH11 ARG 13 -0.806 4.445 7.090 77 HH12 ARG 13 HH12 ARG 13 -0.575 6.042 6.457 78 HH21 ARG 13 HH21 ARG 13 2.877 6.086 7.050 79 HH22 ARG 13 HH22 ARG 13 1.525 6.977 6.433 80 H GLY 14 H GLY 14 5.470 2.883 12.038 81 HA2 GLY 14 HA2 GLY 14 8.323 2.460 12.384 82 HA3 GLY 14 HA3 GLY 14 7.112 2.496 13.656 83 H ALA 15 H ALA 15 8.650 0.632 14.236 84 HA ALA 15 HA ALA 15 8.566 -1.819 12.870 85 HB1 ALA 15 HB1 ALA 15 8.998 -1.317 15.813 86 HB2 ALA 15 HB2 ALA 15 10.244 -1.314 14.563 87 HB3 ALA 15 HB3 ALA 15 9.387 -2.806 14.952 88 H LEU 16 H LEU 16 6.484 -0.505 15.410 89 HA LEU 16 HA LEU 16 4.951 -2.904 15.700 90 HB2 LEU 16 HB2 LEU 16 3.311 -1.205 16.819 91 HB3 LEU 16 HB3 LEU 16 4.813 -1.633 17.612 92 HG LEU 16 HG LEU 16 5.194 0.670 15.909 93 HD11 LEU 16 HD11 LEU 16 2.877 1.162 16.242 94 HD12 LEU 16 HD12 LEU 16 3.825 2.232 17.273 95 HD13 LEU 16 HD13 LEU 16 3.005 0.834 17.971 96 HD21 LEU 16 HD21 LEU 16 5.329 0.483 18.910 97 HD22 LEU 16 HD22 LEU 16 6.216 1.575 17.846 98 HD23 LEU 16 HD23 LEU 16 6.588 -0.150 17.849 99 H SER 17 H SER 17 3.444 -3.634 14.343 100 HA SER 17 HA SER 17 2.561 -1.973 12.151 101 HB2 SER 17 HB2 SER 17 1.264 -4.176 11.637 102 HB3 SER 17 HB3 SER 17 3.023 -4.156 11.485 103 HG SER 17 HG SER 17 1.530 -5.715 13.026 104 H ALA 18 H ALA 18 1.024 -0.525 12.563 105 HA ALA 18 HA ALA 18 -1.160 -1.130 14.395 106 HB1 ALA 18 HB1 ALA 18 -0.018 1.068 14.486 107 HB2 ALA 18 HB2 ALA 18 -1.753 1.200 14.197 108 HB3 ALA 18 HB3 ALA 18 -0.620 1.413 12.862 109 H HIS 19 H HIS 19 -0.495 -1.551 11.195 110 HA HIS 19 HA HIS 19 -3.261 -1.201 10.302 111 HB2 HIS 19 HB2 HIS 19 -0.695 -1.538 8.748 112 HB3 HIS 19 HB3 HIS 19 -2.290 -1.499 8.005 113 HD2 HIS 19 HD2 HIS 19 -3.337 0.985 7.601 114 HE1 HIS 19 HE1 HIS 19 -0.284 3.196 9.485 115 H THR 20 H THR 20 -2.136 -3.508 11.939 116 HA THR 20 HA THR 20 -2.144 -5.751 10.137 117 HB THR 20 HB THR 20 -2.372 -5.809 13.150 118 HG1 THR 20 HG1 THR 20 -0.424 -4.964 13.029 119 HG21 THR 20 HG21 THR 20 -1.985 -8.040 13.051 120 HG22 THR 20 HG22 THR 20 -0.923 -7.901 11.651 121 HG23 THR 20 HG23 THR 20 -2.674 -7.877 11.436 122 H LEU 21 H LEU 21 -3.943 -6.473 9.220 123 HA LEU 21 HA LEU 21 -6.189 -7.278 10.829 124 HB2 LEU 21 HB2 LEU 21 -6.416 -5.037 8.860 125 HB3 LEU 21 HB3 LEU 21 -7.767 -6.136 9.073 126 HG LEU 21 HG LEU 21 -6.508 -4.598 11.346 127 HD11 LEU 21 HD11 LEU 21 -9.118 -3.886 10.061 128 HD12 LEU 21 HD12 LEU 21 -7.600 -3.217 9.463 129 HD13 LEU 21 HD13 LEU 21 -8.099 -2.922 11.128 130 HD21 LEU 21 HD21 LEU 21 -8.933 -5.100 12.213 131 HD22 LEU 21 HD22 LEU 21 -7.657 -6.311 12.348 132 HD23 LEU 21 HD23 LEU 21 -8.846 -6.422 11.050 133 H LEU 22 H LEU 22 -7.826 -8.476 9.450 134 HA LEU 22 HA LEU 22 -6.493 -10.474 7.994 135 HB2 LEU 22 HB2 LEU 22 -8.554 -10.890 9.201 136 HB3 LEU 22 HB3 LEU 22 -9.431 -9.812 8.133 137 HG LEU 22 HG LEU 22 -8.986 -11.358 6.247 138 HD11 LEU 22 HD11 LEU 22 -7.052 -12.523 6.748 139 HD12 LEU 22 HD12 LEU 22 -8.307 -13.729 7.038 140 HD13 LEU 22 HD13 LEU 22 -7.571 -12.880 8.398 141 HD21 LEU 22 HD21 LEU 22 -10.430 -12.338 8.688 142 HD22 LEU 22 HD22 LEU 22 -10.437 -13.247 7.177 143 HD23 LEU 22 HD23 LEU 22 -11.097 -11.612 7.224 144 H PHE 23 H PHE 23 -8.639 -7.870 6.768 145 HA PHE 23 HA PHE 23 -8.138 -8.684 4.035 146 HB2 PHE 23 HB2 PHE 23 -9.719 -6.406 5.221 147 HB3 PHE 23 HB3 PHE 23 -9.524 -6.631 3.488 148 HD1 PHE 23 HD1 PHE 23 -11.064 -7.950 6.538 149 HD2 PHE 23 HD2 PHE 23 -10.644 -8.413 2.328 150 HE1 PHE 23 HE1 PHE 23 -12.982 -9.491 6.521 151 HE2 PHE 23 HE2 PHE 23 -12.562 -9.955 2.303 152 HZ PHE 23 HZ PHE 23 -13.732 -10.496 4.401 153 H ASP 24 H ASP 24 -7.097 -6.142 6.189 154 HA ASP 24 HA ASP 24 -5.307 -5.157 4.085 155 HB2 ASP 24 HB2 ASP 24 -5.157 -3.062 5.614 156 HB3 ASP 24 HB3 ASP 24 -6.547 -3.264 4.558 157 H LEU 25 H LEU 25 -4.019 -7.017 4.742 158 HA LEU 25 HA LEU 25 -2.811 -7.616 7.076 159 HB2 LEU 25 HB2 LEU 25 -1.449 -7.429 4.390 160 HB3 LEU 25 HB3 LEU 25 -0.841 -8.331 5.767 161 HG LEU 25 HG LEU 25 -3.447 -8.900 4.357 162 HD11 LEU 25 HD11 LEU 25 -2.184 -10.984 3.645 163 HD12 LEU 25 HD12 LEU 25 -0.718 -10.107 4.079 164 HD13 LEU 25 HD13 LEU 25 -1.781 -9.477 2.823 165 HD21 LEU 25 HD21 LEU 25 -3.794 -9.776 6.441 166 HD22 LEU 25 HD22 LEU 25 -2.078 -10.064 6.727 167 HD23 LEU 25 HD23 LEU 25 -2.985 -11.134 5.657 168 HA PRO 26 HA PRO 26 -0.254 -4.601 9.050 169 HB2 PRO 26 HB2 PRO 26 2.240 -5.948 8.511 170 HB3 PRO 26 HB3 PRO 26 1.338 -5.858 10.024 171 HG2 PRO 26 HG2 PRO 26 1.385 -7.988 7.992 172 HG3 PRO 26 HG3 PRO 26 0.940 -8.075 9.703 173 HD2 PRO 26 HD2 PRO 26 -0.895 -8.279 7.756 174 HD3 PRO 26 HD3 PRO 26 -1.255 -7.460 9.290 175 HA PRO 27 HA PRO 27 1.486 -1.534 6.456 176 HB2 PRO 27 HB2 PRO 27 3.968 -1.709 8.099 177 HB3 PRO 27 HB3 PRO 27 3.029 -0.288 7.610 178 HG2 PRO 27 HG2 PRO 27 2.810 -1.261 10.058 179 HG3 PRO 27 HG3 PRO 27 1.385 -0.664 9.189 180 HD2 PRO 27 HD2 PRO 27 2.218 -3.471 9.758 181 HD3 PRO 27 HD3 PRO 27 0.591 -2.777 9.637 182 H ALA 28 H ALA 28 3.068 -4.549 6.689 183 HA ALA 28 HA ALA 28 5.393 -4.177 5.220 184 HB1 ALA 28 HB1 ALA 28 3.644 -6.438 5.878 185 HB2 ALA 28 HB2 ALA 28 5.404 -6.316 5.910 186 HB3 ALA 28 HB3 ALA 28 4.569 -6.639 4.390 187 H LEU 29 H LEU 29 2.031 -4.497 4.117 188 HA LEU 29 HA LEU 29 3.022 -4.132 1.372 189 HB2 LEU 29 HB2 LEU 29 1.330 -6.031 2.230 190 HB3 LEU 29 HB3 LEU 29 0.171 -4.785 1.799 191 HG LEU 29 HG LEU 29 1.063 -4.703 -0.468 192 HD11 LEU 29 HD11 LEU 29 2.635 -7.020 -0.610 193 HD12 LEU 29 HD12 LEU 29 3.249 -6.097 0.759 194 HD13 LEU 29 HD13 LEU 29 3.154 -5.351 -0.834 195 HD21 LEU 29 HD21 LEU 29 -0.508 -6.231 -0.825 196 HD22 LEU 29 HD22 LEU 29 -0.206 -6.995 0.735 197 HD23 LEU 29 HD23 LEU 29 0.744 -7.463 -0.674 198 H LEU 30 H LEU 30 -0.161 -3.299 2.759 199 HA LEU 30 HA LEU 30 -0.460 -1.021 1.149 200 HB2 LEU 30 HB2 LEU 30 -2.354 -2.220 2.122 201 HB3 LEU 30 HB3 LEU 30 -1.853 -1.737 3.730 202 HG LEU 30 HG LEU 30 -2.277 0.628 3.119 203 HD11 LEU 30 HD11 LEU 30 -2.011 0.702 0.793 204 HD12 LEU 30 HD12 LEU 30 -3.730 0.971 1.072 205 HD13 LEU 30 HD13 LEU 30 -3.162 -0.609 0.535 206 HD21 LEU 30 HD21 LEU 30 -4.851 -0.612 2.470 207 HD22 LEU 30 HD22 LEU 30 -4.405 0.449 3.806 208 HD23 LEU 30 HD23 LEU 30 -4.054 -1.277 3.896 209 H GLY 31 H GLY 31 0.479 -1.219 4.599 210 HA2 GLY 31 HA2 GLY 31 0.501 1.548 5.075 211 HA3 GLY 31 HA3 GLY 31 1.413 0.360 5.988 212 H GLU 32 H GLU 32 3.261 -0.551 4.248 213 HA GLU 32 HA GLU 32 5.111 1.600 4.163 214 HB2 GLU 32 HB2 GLU 32 5.668 -0.780 4.630 215 HB3 GLU 32 HB3 GLU 32 5.389 -1.132 2.927 216 HG2 GLU 32 HG2 GLU 32 7.320 1.021 3.599 217 HG3 GLU 32 HG3 GLU 32 7.804 -0.649 3.873 218 H LEU 33 H LEU 33 3.352 -0.142 1.596 219 HA LEU 33 HA LEU 33 4.717 1.191 -0.497 220 HB2 LEU 33 HB2 LEU 33 2.071 -0.256 -0.515 221 HB3 LEU 33 HB3 LEU 33 2.859 0.382 -1.951 222 HG LEU 33 HG LEU 33 4.017 -1.729 -0.131 223 HD11 LEU 33 HD11 LEU 33 3.585 -3.267 -1.979 224 HD12 LEU 33 HD12 LEU 33 2.786 -1.973 -2.870 225 HD13 LEU 33 HD13 LEU 33 2.092 -2.561 -1.360 226 HD21 LEU 33 HD21 LEU 33 5.105 -0.156 -2.363 227 HD22 LEU 33 HD22 LEU 33 5.391 -1.894 -2.450 228 HD23 LEU 33 HD23 LEU 33 5.931 -0.980 -1.040 229 H CYS 34 H CYS 34 1.683 1.969 1.203 230 HA CYS 34 HA CYS 34 1.066 4.104 -0.602 231 HB2 CYS 34 HB2 CYS 34 -0.733 4.681 0.846 232 HB3 CYS 34 HB3 CYS 34 -0.637 2.922 0.831 233 HG CYS 34 HG CYS 34 0.722 2.817 3.323 234 H ALA 35 H ALA 35 2.929 3.853 2.354 235 HA ALA 35 HA ALA 35 3.074 6.726 2.698 236 HB1 ALA 35 HB1 ALA 35 4.925 5.025 4.224 237 HB2 ALA 35 HB2 ALA 35 3.207 4.698 4.460 238 HB3 ALA 35 HB3 ALA 35 3.849 6.313 4.765 239 H VAL 36 H VAL 36 5.508 4.174 2.116 240 HA VAL 36 HA VAL 36 7.641 5.975 1.732 241 HB VAL 36 HB VAL 36 7.337 3.074 0.951 242 HG11 VAL 36 HG11 VAL 36 9.407 2.997 0.049 243 HG12 VAL 36 HG12 VAL 36 10.040 4.249 1.119 244 HG13 VAL 36 HG13 VAL 36 9.093 4.697 -0.299 245 HG21 VAL 36 HG21 VAL 36 7.355 3.568 3.351 246 HG22 VAL 36 HG22 VAL 36 8.880 4.432 3.160 247 HG23 VAL 36 HG23 VAL 36 8.808 2.697 2.858 248 H LEU 37 H LEU 37 5.562 4.318 -0.674 249 HA LEU 37 HA LEU 37 7.005 5.456 -2.860 250 HB2 LEU 37 HB2 LEU 37 4.268 4.214 -2.857 251 HB3 LEU 37 HB3 LEU 37 5.171 4.663 -4.290 252 HG LEU 37 HG LEU 37 5.934 2.533 -2.291 253 HD11 LEU 37 HD11 LEU 37 4.338 1.507 -3.532 254 HD12 LEU 37 HD12 LEU 37 5.734 1.236 -4.575 255 HD13 LEU 37 HD13 LEU 37 4.604 2.539 -4.938 256 HD21 LEU 37 HD21 LEU 37 7.432 3.886 -4.457 257 HD22 LEU 37 HD22 LEU 37 7.566 2.129 -4.383 258 HD23 LEU 37 HD23 LEU 37 8.017 3.107 -2.986 259 H ASP 38 H ASP 38 4.532 6.645 -0.802 260 HA ASP 38 HA ASP 38 3.288 8.490 -2.511 261 HB2 ASP 38 HB2 ASP 38 2.541 7.884 -0.169 262 HB3 ASP 38 HB3 ASP 38 3.833 8.918 0.438 263 H SER 39 H SER 39 6.261 8.640 -0.660 264 HA SER 39 HA SER 39 6.773 11.395 -1.401 265 HB2 SER 39 HB2 SER 39 8.823 11.157 -0.082 266 HB3 SER 39 HB3 SER 39 7.433 10.573 0.831 267 HG SER 39 HG SER 39 8.252 8.457 -0.363 268 H CYS 40 H CYS 40 6.912 8.630 -3.075 269 HA CYS 40 HA CYS 40 9.491 8.580 -4.210 270 HB2 CYS 40 HB2 CYS 40 7.945 6.692 -4.383 271 HB3 CYS 40 HB3 CYS 40 6.867 7.652 -5.397 272 HG CYS 40 HG CYS 40 8.192 5.805 -7.003 273 H ASP 41 H ASP 41 10.347 9.487 -5.990 274 HA ASP 41 HA ASP 41 8.761 11.514 -7.402 275 HB2 ASP 41 HB2 ASP 41 10.430 12.398 -5.609 276 HB3 ASP 41 HB3 ASP 41 11.669 11.962 -6.784 277 H GLY 42 H GLY 42 9.059 8.992 -8.343 278 HA2 GLY 42 HA2 GLY 42 9.424 8.227 -10.541 279 HA3 GLY 42 HA3 GLY 42 10.665 9.454 -10.737 280 H ALA 43 H ALA 43 11.554 8.319 -7.900 281 HA ALA 43 HA ALA 43 13.715 6.797 -8.874 282 HB1 ALA 43 HB1 ALA 43 12.595 7.079 -6.091 283 HB2 ALA 43 HB2 ALA 43 13.957 7.949 -6.800 284 HB3 ALA 43 HB3 ALA 43 14.090 6.222 -6.464 285 H LEU 44 H LEU 44 10.677 5.819 -7.335 286 HA LEU 44 HA LEU 44 11.223 3.039 -8.165 287 HB2 LEU 44 HB2 LEU 44 9.523 4.100 -5.886 288 HB3 LEU 44 HB3 LEU 44 9.416 2.453 -6.467 289 HG LEU 44 HG LEU 44 10.813 2.211 -4.652 290 HD11 LEU 44 HD11 LEU 44 11.855 1.358 -6.771 291 HD12 LEU 44 HD12 LEU 44 12.975 1.659 -5.441 292 HD13 LEU 44 HD13 LEU 44 12.859 2.808 -6.774 293 HD21 LEU 44 HD21 LEU 44 12.081 4.833 -5.418 294 HD22 LEU 44 HD22 LEU 44 12.666 3.790 -4.123 295 HD23 LEU 44 HD23 LEU 44 11.056 4.502 -4.021 296 H GLY 45 H GLY 45 9.195 5.773 -8.412 297 HA2 GLY 45 HA2 GLY 45 7.532 6.230 -9.951 298 HA3 GLY 45 HA3 GLY 45 7.633 4.562 -10.503 299 H TRP 46 H TRP 46 5.795 6.796 -8.732 300 HA TRP 46 HA TRP 46 4.528 5.301 -6.790 301 HB2 TRP 46 HB2 TRP 46 2.426 6.705 -7.457 302 HB3 TRP 46 HB3 TRP 46 3.866 7.524 -6.832 303 HD1 TRP 46 HD1 TRP 46 1.824 7.076 -10.043 304 HE1 TRP 46 HE1 TRP 46 2.546 8.876 -11.735 305 HE3 TRP 46 HE3 TRP 46 5.820 9.019 -7.511 306 HZ2 TRP 46 HZ2 TRP 46 4.540 10.859 -11.964 307 HZ3 TRP 46 HZ3 TRP 46 7.077 10.866 -8.535 308 HH2 TRP 46 HH2 TRP 46 6.453 11.766 -10.716 309 H ARG 47 H ARG 47 3.587 5.510 -10.226 310 HA ARG 47 HA ARG 47 1.721 3.321 -9.932 311 HB2 ARG 47 HB2 ARG 47 1.311 3.572 -12.340 312 HB3 ARG 47 HB3 ARG 47 1.107 5.085 -11.484 313 HG2 ARG 47 HG2 ARG 47 3.439 5.688 -12.220 314 HG3 ARG 47 HG3 ARG 47 3.397 4.250 -13.241 315 HD2 ARG 47 HD2 ARG 47 1.428 5.124 -14.396 316 HD3 ARG 47 HD3 ARG 47 1.453 6.555 -13.369 317 HE ARG 47 HE ARG 47 3.248 7.376 -14.575 318 HH11 ARG 47 HH11 ARG 47 4.577 7.470 -16.422 319 HH12 ARG 47 HH12 ARG 47 4.693 6.090 -17.465 320 HH21 ARG 47 HH21 ARG 47 2.499 4.123 -15.575 321 HH22 ARG 47 HH22 ARG 47 3.507 4.184 -16.982 322 H GLY 48 H GLY 48 4.984 3.300 -10.040 323 HA2 GLY 48 HA2 GLY 48 5.668 1.608 -12.159 324 HA3 GLY 48 HA3 GLY 48 6.540 1.713 -10.639 325 H LEU 49 H LEU 49 4.784 0.681 -8.823 326 HA LEU 49 HA LEU 49 4.937 -2.107 -9.390 327 HB2 LEU 49 HB2 LEU 49 3.605 -0.601 -7.140 328 HB3 LEU 49 HB3 LEU 49 3.737 -2.347 -7.210 329 HG LEU 49 HG LEU 49 6.089 -0.444 -7.131 330 HD11 LEU 49 HD11 LEU 49 5.006 -2.224 -4.954 331 HD12 LEU 49 HD12 LEU 49 4.740 -0.483 -5.053 332 HD13 LEU 49 HD13 LEU 49 6.374 -1.115 -4.848 333 HD21 LEU 49 HD21 LEU 49 6.701 -2.461 -8.252 334 HD22 LEU 49 HD22 LEU 49 5.881 -3.451 -7.046 335 HD23 LEU 49 HD23 LEU 49 7.333 -2.551 -6.608 336 H ALA 50 H ALA 50 2.270 0.225 -9.236 337 HA ALA 50 HA ALA 50 0.157 -1.610 -9.592 338 HB1 ALA 50 HB1 ALA 50 -1.164 0.363 -10.264 339 HB2 ALA 50 HB2 ALA 50 0.319 1.316 -10.280 340 HB3 ALA 50 HB3 ALA 50 -0.260 0.612 -8.768 341 H GLU 51 H GLU 51 2.056 0.232 -11.909 342 HA GLU 51 HA GLU 51 0.571 -0.259 -14.206 343 HB2 GLU 51 HB2 GLU 51 2.327 1.450 -14.064 344 HB3 GLU 51 HB3 GLU 51 3.550 0.195 -13.927 345 HG2 GLU 51 HG2 GLU 51 3.589 1.001 -16.160 346 HG3 GLU 51 HG3 GLU 51 2.878 -0.610 -16.192 347 H ARG 52 H ARG 52 3.255 -2.050 -12.738 348 HA ARG 52 HA ARG 52 3.567 -3.962 -14.787 349 HB2 ARG 52 HB2 ARG 52 4.218 -4.109 -11.838 350 HB3 ARG 52 HB3 ARG 52 4.699 -5.326 -13.009 351 HG2 ARG 52 HG2 ARG 52 5.939 -3.550 -14.244 352 HG3 ARG 52 HG3 ARG 52 5.563 -2.447 -12.921 353 HD2 ARG 52 HD2 ARG 52 6.692 -4.003 -11.361 354 HD3 ARG 52 HD3 ARG 52 7.160 -4.994 -12.742 355 HE ARG 52 HE ARG 52 8.334 -2.504 -11.909 356 HH11 ARG 52 HH11 ARG 52 10.181 -1.787 -13.021 357 HH12 ARG 52 HH12 ARG 52 10.577 -2.476 -14.559 358 HH21 ARG 52 HH21 ARG 52 7.833 -4.645 -14.617 359 HH22 ARG 52 HH22 ARG 52 9.240 -4.104 -15.468 360 H LEU 53 H LEU 53 1.566 -3.930 -11.852 361 HA LEU 53 HA LEU 53 0.632 -6.602 -12.180 362 HB2 LEU 53 HB2 LEU 53 0.609 -5.476 -10.002 363 HB3 LEU 53 HB3 LEU 53 -0.574 -4.322 -10.598 364 HG LEU 53 HG LEU 53 -2.205 -6.154 -10.886 365 HD11 LEU 53 HD11 LEU 53 -1.521 -8.293 -9.550 366 HD12 LEU 53 HD12 LEU 53 0.116 -7.790 -9.966 367 HD13 LEU 53 HD13 LEU 53 -1.056 -8.115 -11.242 368 HD21 LEU 53 HD21 LEU 53 -2.189 -6.762 -8.303 369 HD22 LEU 53 HD22 LEU 53 -2.619 -5.152 -8.886 370 HD23 LEU 53 HD23 LEU 53 -0.997 -5.462 -8.264 371 H SER 54 H SER 54 -0.764 -3.425 -12.996 372 HA SER 54 HA SER 54 -2.396 -4.740 -15.030 373 HB2 SER 54 HB2 SER 54 -3.573 -2.972 -12.871 374 HB3 SER 54 HB3 SER 54 -4.440 -3.519 -14.306 375 HG SER 54 HG SER 54 -3.298 -5.616 -13.069 376 H SER 55 H SER 55 -2.764 -3.478 -16.825 377 HA SER 55 HA SER 55 -1.745 -0.715 -16.695 378 HB2 SER 55 HB2 SER 55 -1.553 -2.659 -19.011 379 HB3 SER 55 HB3 SER 55 -1.004 -0.983 -19.038 380 HG SER 55 HG SER 55 0.021 -2.339 -16.918 381 H SER 56 H SER 56 -3.263 0.771 -17.072 382 HA SER 56 HA SER 56 -5.180 0.444 -19.194 383 HB2 SER 56 HB2 SER 56 -6.346 -0.752 -17.405 384 HB3 SER 56 HB3 SER 56 -6.148 0.631 -16.329 385 HG SER 56 HG SER 56 -8.126 0.182 -17.994 386 H TRP 57 H TRP 57 -5.943 2.383 -19.944 387 HA TRP 57 HA TRP 57 -4.520 4.727 -19.316 388 HB2 TRP 57 HB2 TRP 57 -5.526 4.329 -21.521 389 HB3 TRP 57 HB3 TRP 57 -7.135 4.431 -20.814 390 HD1 TRP 57 HD1 TRP 57 -8.234 6.756 -20.845 391 HE1 TRP 57 HE1 TRP 57 -7.429 9.156 -21.312 392 HE3 TRP 57 HE3 TRP 57 -3.208 5.875 -21.215 393 HZ2 TRP 57 HZ2 TRP 57 -4.989 10.497 -21.776 394 HZ3 TRP 57 HZ3 TRP 57 -1.709 7.771 -21.671 395 HH2 TRP 57 HH2 TRP 57 -2.582 10.034 -21.945 396 H LEU 58 H LEU 58 -7.813 3.710 -18.479 397 HA LEU 58 HA LEU 58 -8.529 6.078 -17.116 398 HB2 LEU 58 HB2 LEU 58 -9.606 3.317 -17.296 399 HB3 LEU 58 HB3 LEU 58 -10.114 4.276 -15.921 400 HG LEU 58 HG LEU 58 -11.776 4.512 -17.613 401 HD11 LEU 58 HD11 LEU 58 -10.665 6.614 -16.407 402 HD12 LEU 58 HD12 LEU 58 -12.010 6.760 -17.540 403 HD13 LEU 58 HD13 LEU 58 -10.361 7.065 -18.085 404 HD21 LEU 58 HD21 LEU 58 -9.458 5.045 -19.444 405 HD22 LEU 58 HD22 LEU 58 -11.099 5.545 -19.851 406 HD23 LEU 58 HD23 LEU 58 -10.734 3.839 -19.596 407 H ASP 59 H ASP 59 -7.017 3.079 -16.062 408 HA ASP 59 HA ASP 59 -7.155 3.515 -13.290 409 HB2 ASP 59 HB2 ASP 59 -6.625 1.328 -14.290 410 HB3 ASP 59 HB3 ASP 59 -5.072 1.957 -14.831 411 H VAL 60 H VAL 60 -4.570 4.336 -15.625 412 HA VAL 60 HA VAL 60 -2.860 5.397 -13.611 413 HB VAL 60 HB VAL 60 -1.512 6.338 -15.425 414 HG11 VAL 60 HG11 VAL 60 -2.366 3.535 -16.114 415 HG12 VAL 60 HG12 VAL 60 -1.365 3.937 -14.720 416 HG13 VAL 60 HG13 VAL 60 -0.780 4.271 -16.349 417 HG21 VAL 60 HG21 VAL 60 -3.856 6.446 -16.863 418 HG22 VAL 60 HG22 VAL 60 -2.994 5.100 -17.608 419 HG23 VAL 60 HG23 VAL 60 -2.234 6.688 -17.514 420 H ASP 61 H ASP 61 -5.491 6.722 -15.430 421 HA ASP 61 HA ASP 61 -4.900 9.467 -15.175 422 HB2 ASP 61 HB2 ASP 61 -6.679 8.559 -16.654 423 HB3 ASP 61 HB3 ASP 61 -7.625 8.138 -15.229 424 H HIS 62 H HIS 62 -6.712 7.239 -13.113 425 HA HIS 62 HA HIS 62 -7.314 9.137 -11.096 426 HB2 HIS 62 HB2 HIS 62 -8.388 6.796 -11.628 427 HB3 HIS 62 HB3 HIS 62 -7.159 6.206 -10.511 428 HD2 HIS 62 HD2 HIS 62 -7.640 6.687 -7.857 429 HE1 HIS 62 HE1 HIS 62 -11.258 8.792 -8.335 430 H ILE 63 H ILE 63 -4.580 7.082 -11.752 431 HA ILE 63 HA ILE 63 -3.397 7.006 -9.214 432 HB ILE 63 HB ILE 63 -2.174 6.876 -11.964 433 HG12 ILE 63 HG12 ILE 63 -2.471 4.761 -9.822 434 HG13 ILE 63 HG13 ILE 63 -3.648 5.019 -11.108 435 HG21 ILE 63 HG21 ILE 63 -0.426 5.827 -9.958 436 HG22 ILE 63 HG22 ILE 63 -0.795 7.513 -9.592 437 HG23 ILE 63 HG23 ILE 63 -0.115 7.079 -11.160 438 HD11 ILE 63 HD11 ILE 63 -1.230 3.503 -11.141 439 HD12 ILE 63 HD12 ILE 63 -1.153 4.768 -12.366 440 HD13 ILE 63 HD13 ILE 63 -2.492 3.619 -12.366 441 H GLU 64 H GLU 64 -3.120 9.388 -11.816 442 HA GLU 64 HA GLU 64 -1.229 11.047 -10.525 443 HB2 GLU 64 HB2 GLU 64 -3.276 11.607 -12.675 444 HB3 GLU 64 HB3 GLU 64 -2.117 12.806 -12.119 445 HG2 GLU 64 HG2 GLU 64 -0.277 11.474 -12.877 446 HG3 GLU 64 HG3 GLU 64 -1.350 10.129 -13.259 447 H LYS 65 H LYS 65 -4.727 10.874 -10.432 448 HA LYS 65 HA LYS 65 -5.274 13.333 -9.197 449 HB2 LYS 65 HB2 LYS 65 -6.779 10.728 -9.300 450 HB3 LYS 65 HB3 LYS 65 -7.443 12.187 -8.575 451 HG2 LYS 65 HG2 LYS 65 -7.273 13.353 -10.692 452 HG3 LYS 65 HG3 LYS 65 -6.521 11.939 -11.432 453 HD2 LYS 65 HD2 LYS 65 -8.555 10.647 -11.047 454 HD3 LYS 65 HD3 LYS 65 -9.305 12.038 -10.277 455 HE2 LYS 65 HE2 LYS 65 -9.130 13.296 -12.363 456 HE3 LYS 65 HE3 LYS 65 -8.354 11.915 -13.133 457 HZ1 LYS 65 HZ1 LYS 65 -10.341 11.127 -13.634 458 HZ2 LYS 65 HZ2 LYS 65 -11.089 12.447 -12.883 459 HZ3 LYS 65 HZ3 LYS 65 -10.757 11.045 -11.994 460 H GLU 66 H GLU 66 -4.916 10.090 -7.614 461 HA GLU 66 HA GLU 66 -5.207 11.440 -5.047 462 HB2 GLU 66 HB2 GLU 66 -4.654 8.494 -5.143 463 HB3 GLU 66 HB3 GLU 66 -5.593 9.437 -4.002 464 HG2 GLU 66 HG2 GLU 66 -6.510 9.085 -6.830 465 HG3 GLU 66 HG3 GLU 66 -6.872 7.905 -5.573 466 H VAL 67 H VAL 67 -2.591 10.910 -7.011 467 HA VAL 67 HA VAL 67 -0.642 9.920 -5.282 468 HB VAL 67 HB VAL 67 -0.367 10.403 -7.758 469 HG11 VAL 67 HG11 VAL 67 -0.995 12.651 -8.005 470 HG12 VAL 67 HG12 VAL 67 0.754 12.632 -8.227 471 HG13 VAL 67 HG13 VAL 67 0.068 13.178 -6.697 472 HG21 VAL 67 HG21 VAL 67 1.617 9.647 -7.040 473 HG22 VAL 67 HG22 VAL 67 1.611 10.688 -5.617 474 HG23 VAL 67 HG23 VAL 67 2.121 11.332 -7.178 475 H ASP 68 H ASP 68 -2.030 13.137 -5.479 476 HA ASP 68 HA ASP 68 -0.171 14.197 -3.505 477 HB2 ASP 68 HB2 ASP 68 -2.484 15.431 -5.006 478 HB3 ASP 68 HB3 ASP 68 -1.612 16.282 -3.733 479 H GLN 69 H GLN 69 -2.858 12.316 -3.409 480 HA GLN 69 HA GLN 69 -3.891 13.477 -0.912 481 HB2 GLN 69 HB2 GLN 69 -5.160 11.457 -2.767 482 HB3 GLN 69 HB3 GLN 69 -5.887 12.080 -1.296 483 HG2 GLN 69 HG2 GLN 69 -5.184 13.698 -3.733 484 HG3 GLN 69 HG3 GLN 69 -6.798 13.162 -3.273 485 HE21 GLN 69 HE21 GLN 69 -4.917 15.771 -3.349 486 HE22 GLN 69 HE22 GLN 69 -5.522 16.643 -1.986 487 H GLY 70 H GLY 70 -1.458 11.680 -1.311 488 HA2 GLY 70 HA2 GLY 70 -0.619 10.338 0.500 489 HA3 GLY 70 HA3 GLY 70 -2.247 9.746 0.765 490 H LYS 71 H LYS 71 -1.179 9.882 -2.494 491 HA LYS 71 HA LYS 71 -0.048 8.380 -3.854 492 HB2 LYS 71 HB2 LYS 71 1.120 7.176 -2.171 493 HB3 LYS 71 HB3 LYS 71 -0.368 6.466 -1.555 494 HG2 LYS 71 HG2 LYS 71 0.906 4.809 -2.765 495 HG3 LYS 71 HG3 LYS 71 -0.594 5.167 -3.623 496 HD2 LYS 71 HD2 LYS 71 1.299 4.977 -5.172 497 HD3 LYS 71 HD3 LYS 71 0.630 6.608 -5.172 498 HE2 LYS 71 HE2 LYS 71 2.704 6.315 -3.203 499 HE3 LYS 71 HE3 LYS 71 3.275 5.871 -4.804 500 HZ1 LYS 71 HZ1 LYS 71 2.370 8.027 -5.602 501 HZ2 LYS 71 HZ2 LYS 71 3.649 8.181 -4.505 502 HZ3 LYS 71 HZ3 LYS 71 2.059 8.453 -3.995 503 H SER 72 H SER 72 -0.856 7.255 -5.500 504 HA SER 72 HA SER 72 -3.558 6.107 -5.278 505 HB2 SER 72 HB2 SER 72 -3.385 8.423 -6.386 506 HB3 SER 72 HB3 SER 72 -2.601 7.580 -7.711 507 HG SER 72 HG SER 72 -4.864 7.745 -8.037 508 H GLY 73 H GLY 73 -0.365 6.058 -6.729 509 HA2 GLY 73 HA2 GLY 73 -0.741 4.119 -8.691 510 HA3 GLY 73 HA3 GLY 73 0.760 4.361 -7.794 511 H THR 74 H THR 74 0.561 3.491 -5.434 512 HA THR 74 HA THR 74 -0.203 0.727 -5.697 513 HB THR 74 HB THR 74 0.823 0.872 -3.197 514 HG1 THR 74 HG1 THR 74 2.286 2.500 -3.049 515 HG21 THR 74 HG21 THR 74 2.795 -0.023 -4.102 516 HG22 THR 74 HG22 THR 74 2.639 0.914 -5.591 517 HG23 THR 74 HG23 THR 74 1.550 -0.439 -5.281 518 H ARG 75 H ARG 75 -1.080 3.528 -3.716 519 HA ARG 75 HA ARG 75 -2.678 2.179 -1.837 520 HB2 ARG 75 HB2 ARG 75 -1.855 4.543 -1.613 521 HB3 ARG 75 HB3 ARG 75 -3.063 5.015 -2.793 522 HG2 ARG 75 HG2 ARG 75 -4.837 4.244 -1.341 523 HG3 ARG 75 HG3 ARG 75 -3.656 3.710 -0.146 524 HD2 ARG 75 HD2 ARG 75 -2.889 6.030 0.099 525 HD3 ARG 75 HD3 ARG 75 -4.104 6.547 -1.072 526 HE ARG 75 HE ARG 75 -5.384 5.138 0.988 527 HH11 ARG 75 HH11 ARG 75 -6.512 6.246 2.630 528 HH12 ARG 75 HH12 ARG 75 -6.146 7.909 2.942 529 HH21 ARG 75 HH21 ARG 75 -3.685 8.126 0.460 530 HH22 ARG 75 HH22 ARG 75 -4.537 8.986 1.700 531 H GLU 76 H GLU 76 -3.631 3.872 -4.825 532 HA GLU 76 HA GLU 76 -6.389 3.361 -4.543 533 HB2 GLU 76 HB2 GLU 76 -5.575 5.147 -5.980 534 HB3 GLU 76 HB3 GLU 76 -4.775 3.981 -7.027 535 HG2 GLU 76 HG2 GLU 76 -6.815 4.755 -8.041 536 HG3 GLU 76 HG3 GLU 76 -6.956 3.055 -7.621 537 H LEU 77 H LEU 77 -3.809 1.582 -6.165 538 HA LEU 77 HA LEU 77 -5.400 -0.307 -7.498 539 HB2 LEU 77 HB2 LEU 77 -3.004 0.006 -7.931 540 HB3 LEU 77 HB3 LEU 77 -2.626 -0.604 -6.333 541 HG LEU 77 HG LEU 77 -3.539 -2.816 -6.989 542 HD11 LEU 77 HD11 LEU 77 -4.042 -1.362 -9.550 543 HD12 LEU 77 HD12 LEU 77 -5.095 -2.462 -8.660 544 HD13 LEU 77 HD13 LEU 77 -3.715 -3.094 -9.559 545 HD21 LEU 77 HD21 LEU 77 -1.669 -2.696 -9.099 546 HD22 LEU 77 HD22 LEU 77 -1.419 -3.256 -7.445 547 HD23 LEU 77 HD23 LEU 77 -1.137 -1.564 -7.855 548 H LEU 78 H LEU 78 -3.930 -0.381 -4.261 549 HA LEU 78 HA LEU 78 -5.002 -2.929 -3.559 550 HB2 LEU 78 HB2 LEU 78 -3.945 -0.698 -1.808 551 HB3 LEU 78 HB3 LEU 78 -4.267 -2.336 -1.264 552 HG LEU 78 HG LEU 78 -2.178 -1.505 -3.280 553 HD11 LEU 78 HD11 LEU 78 -1.485 -0.901 -1.090 554 HD12 LEU 78 HD12 LEU 78 -0.618 -2.368 -1.543 555 HD13 LEU 78 HD13 LEU 78 -1.987 -2.460 -0.436 556 HD21 LEU 78 HD21 LEU 78 -3.392 -4.093 -2.686 557 HD22 LEU 78 HD22 LEU 78 -1.635 -4.091 -2.538 558 HD23 LEU 78 HD23 LEU 78 -2.392 -3.595 -4.050 559 H TRP 79 H TRP 79 -6.016 0.399 -3.029 560 HA TRP 79 HA TRP 79 -8.212 -0.209 -1.296 561 HB2 TRP 79 HB2 TRP 79 -6.840 2.004 -1.620 562 HB3 TRP 79 HB3 TRP 79 -8.036 2.335 -2.866 563 HD1 TRP 79 HD1 TRP 79 -10.352 3.226 -2.093 564 HE1 TRP 79 HE1 TRP 79 -11.390 3.783 0.198 565 HE3 TRP 79 HE3 TRP 79 -6.793 1.158 0.942 566 HZ2 TRP 79 HZ2 TRP 79 -10.778 3.401 2.928 567 HZ3 TRP 79 HZ3 TRP 79 -7.092 1.301 3.378 568 HH2 TRP 79 HH2 TRP 79 -9.044 2.399 4.351 569 H SER 80 H SER 80 -7.865 -0.689 -4.576 570 HA SER 80 HA SER 80 -10.243 0.244 -5.691 571 HB2 SER 80 HB2 SER 80 -8.395 -0.586 -7.053 572 HB3 SER 80 HB3 SER 80 -8.655 -2.219 -6.441 573 HG SER 80 HG SER 80 -10.972 -1.455 -7.364 574 H TRP 81 H TRP 81 -9.639 -2.863 -4.038 575 HA TRP 81 HA TRP 81 -12.394 -3.669 -4.498 576 HB2 TRP 81 HB2 TRP 81 -9.983 -4.957 -3.284 577 HB3 TRP 81 HB3 TRP 81 -11.577 -5.587 -2.878 578 HD1 TRP 81 HD1 TRP 81 -8.955 -5.689 -5.546 579 HE1 TRP 81 HE1 TRP 81 -9.768 -7.138 -7.512 580 HE3 TRP 81 HE3 TRP 81 -13.865 -6.190 -4.210 581 HZ2 TRP 81 HZ2 TRP 81 -12.174 -8.336 -8.380 582 HZ3 TRP 81 HZ3 TRP 81 -15.355 -7.505 -5.662 583 HH2 TRP 81 HH2 TRP 81 -14.526 -8.553 -7.704 584 H ALA 82 H ALA 82 -10.803 -4.184 -1.410 585 HA ALA 82 HA ALA 82 -12.972 -2.680 -0.104 586 HB1 ALA 82 HB1 ALA 82 -11.970 -4.115 1.927 587 HB2 ALA 82 HB2 ALA 82 -11.540 -5.182 0.590 588 HB3 ALA 82 HB3 ALA 82 -13.225 -4.730 0.849 589 H GLN 83 H GLN 83 -9.952 -3.718 1.332 590 HA GLN 83 HA GLN 83 -9.189 -0.897 1.703 591 HB2 GLN 83 HB2 GLN 83 -8.811 -3.329 3.439 592 HB3 GLN 83 HB3 GLN 83 -7.728 -1.949 3.590 593 HG2 GLN 83 HG2 GLN 83 -9.360 -1.646 5.238 594 HG3 GLN 83 HG3 GLN 83 -9.799 -0.536 3.939 595 HE21 GLN 83 HE21 GLN 83 -11.935 -0.407 3.954 596 HE22 GLN 83 HE22 GLN 83 -13.028 -1.745 3.973 597 H LYS 84 H LYS 84 -7.777 -4.154 1.483 598 HA LYS 84 HA LYS 84 -5.847 -3.102 -0.453 599 HB2 LYS 84 HB2 LYS 84 -4.485 -3.292 1.474 600 HB3 LYS 84 HB3 LYS 84 -5.255 -4.795 1.971 601 HG2 LYS 84 HG2 LYS 84 -4.139 -6.028 0.294 602 HG3 LYS 84 HG3 LYS 84 -3.607 -4.568 -0.529 603 HD2 LYS 84 HD2 LYS 84 -1.777 -5.609 0.694 604 HD3 LYS 84 HD3 LYS 84 -2.159 -4.026 1.361 605 HE2 LYS 84 HE2 LYS 84 -1.740 -5.768 3.079 606 HE3 LYS 84 HE3 LYS 84 -3.336 -5.019 3.198 607 HZ1 LYS 84 HZ1 LYS 84 -4.365 -6.938 2.681 608 HZ2 LYS 84 HZ2 LYS 84 -2.925 -7.648 3.220 609 HZ3 LYS 84 HZ3 LYS 84 -3.186 -7.422 1.566 610 H ASN 85 H ASN 85 -7.455 -5.925 0.924 611 HA ASN 85 HA ASN 85 -8.008 -7.974 0.114 612 HB2 ASN 85 HB2 ASN 85 -8.894 -5.973 -1.840 613 HB3 ASN 85 HB3 ASN 85 -8.809 -7.616 -2.468 614 HD21 ASN 85 HD21 ASN 85 -11.004 -7.888 -2.633 615 HD22 ASN 85 HD22 ASN 85 -12.046 -8.011 -1.259 616 H LYS 86 H LYS 86 -5.233 -7.415 -0.145 617 HA LYS 86 HA LYS 86 -4.572 -9.252 -2.325 618 HB2 LYS 86 HB2 LYS 86 -3.861 -6.457 -2.209 619 HB3 LYS 86 HB3 LYS 86 -2.408 -7.441 -2.093 620 HG2 LYS 86 HG2 LYS 86 -2.634 -7.069 -4.364 621 HG3 LYS 86 HG3 LYS 86 -3.333 -8.675 -4.152 622 HD2 LYS 86 HD2 LYS 86 -5.555 -7.281 -3.841 623 HD3 LYS 86 HD3 LYS 86 -4.659 -6.081 -4.777 624 HE2 LYS 86 HE2 LYS 86 -5.270 -8.924 -5.580 625 HE3 LYS 86 HE3 LYS 86 -5.969 -7.459 -6.268 626 HZ1 LYS 86 HZ1 LYS 86 -4.232 -8.335 -7.684 627 HZ2 LYS 86 HZ2 LYS 86 -3.109 -8.259 -6.421 628 HZ3 LYS 86 HZ3 LYS 86 -3.765 -6.836 -7.059 629 H THR 87 H THR 87 -2.231 -10.052 -2.002 630 HA THR 87 HA THR 87 -1.723 -10.229 0.890 631 HB THR 87 HB THR 87 -0.850 -12.480 0.587 632 HG1 THR 87 HG1 THR 87 -1.491 -13.387 -1.648 633 HG21 THR 87 HG21 THR 87 -3.249 -12.197 1.067 634 HG22 THR 87 HG22 THR 87 -2.936 -13.645 0.111 635 HG23 THR 87 HG23 THR 87 -3.586 -12.200 -0.663 636 H ILE 88 H ILE 88 0.501 -10.598 1.502 637 HA ILE 88 HA ILE 88 2.255 -8.768 0.334 638 HB ILE 88 HB ILE 88 2.400 -10.771 2.495 639 HG12 ILE 88 HG12 ILE 88 3.538 -8.749 3.585 640 HG13 ILE 88 HG13 ILE 88 3.156 -7.877 2.105 641 HG21 ILE 88 HG21 ILE 88 4.894 -10.348 2.742 642 HG22 ILE 88 HG22 ILE 88 4.870 -9.869 1.044 643 HG23 ILE 88 HG23 ILE 88 4.399 -11.505 1.508 644 HD11 ILE 88 HD11 ILE 88 1.180 -9.172 3.966 645 HD12 ILE 88 HD12 ILE 88 0.782 -8.311 2.479 646 HD13 ILE 88 HD13 ILE 88 1.516 -7.447 3.831 647 H GLY 89 H GLY 89 1.954 -12.261 -0.101 648 HA2 GLY 89 HA2 GLY 89 4.300 -12.675 -1.601 649 HA3 GLY 89 HA3 GLY 89 2.862 -13.686 -1.655 650 H ASP 90 H ASP 90 1.044 -11.715 -2.605 651 HA ASP 90 HA ASP 90 1.431 -11.955 -5.386 652 HB2 ASP 90 HB2 ASP 90 -0.788 -11.742 -4.319 653 HB3 ASP 90 HB3 ASP 90 -0.421 -10.069 -3.918 654 H LEU 91 H LEU 91 1.802 -9.146 -3.230 655 HA LEU 91 HA LEU 91 2.640 -7.415 -5.368 656 HB2 LEU 91 HB2 LEU 91 2.103 -7.168 -2.518 657 HB3 LEU 91 HB3 LEU 91 3.502 -6.238 -3.014 658 HG LEU 91 HG LEU 91 1.582 -4.799 -3.064 659 HD11 LEU 91 HD11 LEU 91 3.276 -5.120 -5.169 660 HD12 LEU 91 HD12 LEU 91 2.112 -3.808 -4.992 661 HD13 LEU 91 HD13 LEU 91 1.700 -5.227 -5.954 662 HD21 LEU 91 HD21 LEU 91 -0.204 -6.384 -3.189 663 HD22 LEU 91 HD22 LEU 91 0.319 -6.934 -4.782 664 HD23 LEU 91 HD23 LEU 91 -0.336 -5.309 -4.582 665 H LEU 92 H LEU 92 4.218 -9.607 -3.215 666 HA LEU 92 HA LEU 92 6.802 -8.546 -3.139 667 HB2 LEU 92 HB2 LEU 92 6.045 -10.400 -1.727 668 HB3 LEU 92 HB3 LEU 92 5.944 -11.441 -3.133 669 HG LEU 92 HG LEU 92 8.393 -11.244 -3.433 670 HD11 LEU 92 HD11 LEU 92 8.107 -9.473 -1.043 671 HD12 LEU 92 HD12 LEU 92 9.054 -9.232 -2.511 672 HD13 LEU 92 HD13 LEU 92 9.592 -10.388 -1.294 673 HD21 LEU 92 HD21 LEU 92 7.438 -12.209 -0.741 674 HD22 LEU 92 HD22 LEU 92 9.011 -12.588 -1.442 675 HD23 LEU 92 HD23 LEU 92 7.535 -13.143 -2.233 676 H GLN 93 H GLN 93 5.225 -10.551 -5.567 677 HA GLN 93 HA GLN 93 7.476 -11.226 -7.095 678 HB2 GLN 93 HB2 GLN 93 4.575 -10.883 -7.848 679 HB3 GLN 93 HB3 GLN 93 5.788 -11.500 -8.960 680 HG2 GLN 93 HG2 GLN 93 6.209 -13.391 -7.543 681 HG3 GLN 93 HG3 GLN 93 5.140 -12.745 -6.300 682 HE21 GLN 93 HE21 GLN 93 2.995 -13.096 -6.435 683 HE22 GLN 93 HE22 GLN 93 2.236 -14.005 -7.695 684 H VAL 94 H VAL 94 5.325 -8.381 -7.310 685 HA VAL 94 HA VAL 94 6.837 -7.342 -9.548 686 HB VAL 94 HB VAL 94 5.381 -5.342 -9.381 687 HG11 VAL 94 HG11 VAL 94 4.050 -8.043 -9.506 688 HG12 VAL 94 HG12 VAL 94 4.700 -7.098 -10.846 689 HG13 VAL 94 HG13 VAL 94 3.265 -6.537 -9.987 690 HG21 VAL 94 HG21 VAL 94 4.916 -6.231 -6.780 691 HG22 VAL 94 HG22 VAL 94 3.396 -6.496 -7.636 692 HG23 VAL 94 HG23 VAL 94 4.122 -4.890 -7.604 693 H LEU 95 H LEU 95 6.872 -7.051 -6.101 694 HA LEU 95 HA LEU 95 8.193 -4.577 -5.825 695 HB2 LEU 95 HB2 LEU 95 7.696 -6.938 -4.152 696 HB3 LEU 95 HB3 LEU 95 9.181 -6.098 -3.758 697 HG LEU 95 HG LEU 95 8.019 -4.100 -3.194 698 HD11 LEU 95 HD11 LEU 95 5.683 -5.396 -4.547 699 HD12 LEU 95 HD12 LEU 95 6.382 -3.798 -4.814 700 HD13 LEU 95 HD13 LEU 95 5.453 -4.120 -3.351 701 HD21 LEU 95 HD21 LEU 95 6.446 -6.447 -2.139 702 HD22 LEU 95 HD22 LEU 95 6.553 -4.847 -1.404 703 HD23 LEU 95 HD23 LEU 95 7.986 -5.870 -1.503 704 H GLN 96 H GLN 96 9.437 -7.884 -6.107 705 HA GLN 96 HA GLN 96 12.178 -7.203 -6.002 706 HB2 GLN 96 HB2 GLN 96 10.744 -9.601 -7.149 707 HB3 GLN 96 HB3 GLN 96 12.497 -9.468 -7.093 708 HG2 GLN 96 HG2 GLN 96 12.402 -9.288 -4.655 709 HG3 GLN 96 HG3 GLN 96 10.646 -9.439 -4.720 710 HE21 GLN 96 HE21 GLN 96 10.352 -11.339 -3.710 711 HE22 GLN 96 HE22 GLN 96 11.013 -12.845 -4.239 712 H GLU 97 H GLU 97 9.890 -7.550 -8.659 713 HA GLU 97 HA GLU 97 11.720 -7.325 -10.787 714 HB2 GLU 97 HB2 GLU 97 9.373 -8.125 -11.008 715 HB3 GLU 97 HB3 GLU 97 8.809 -6.482 -10.718 716 HG2 GLU 97 HG2 GLU 97 9.848 -5.722 -12.755 717 HG3 GLU 97 HG3 GLU 97 10.549 -7.316 -13.028 718 H MET 98 H MET 98 9.827 -4.897 -9.028 719 HA MET 98 HA MET 98 10.705 -2.676 -10.561 720 HB2 MET 98 HB2 MET 98 8.657 -2.762 -9.091 721 HB3 MET 98 HB3 MET 98 9.730 -2.616 -7.707 722 HG2 MET 98 HG2 MET 98 8.823 -0.463 -8.232 723 HG3 MET 98 HG3 MET 98 10.546 -0.468 -8.607 724 HE1 MET 98 HE1 MET 98 10.734 1.502 -10.492 725 HE2 MET 98 HE2 MET 98 10.765 0.698 -12.060 726 HE3 MET 98 HE3 MET 98 11.576 -0.038 -10.678 727 H GLY 99 H GLY 99 11.895 -4.200 -7.598 728 HA2 GLY 99 HA2 GLY 99 14.186 -4.183 -6.984 729 HA3 GLY 99 HA3 GLY 99 14.412 -2.743 -7.966 730 H HIS 100 H HIS 100 11.710 -2.866 -5.791 731 HA HIS 100 HA HIS 100 12.739 -0.593 -4.352 732 HB2 HIS 100 HB2 HIS 100 10.287 -1.045 -4.995 733 HB3 HIS 100 HB3 HIS 100 10.259 -2.126 -3.605 734 HD2 HIS 100 HD2 HIS 100 8.319 -0.140 -2.706 735 HE1 HIS 100 HE1 HIS 100 11.324 2.531 -1.448 736 H ARG 101 H ARG 101 14.420 -1.088 -3.090 737 HA ARG 101 HA ARG 101 14.766 -3.432 -1.575 738 HB2 ARG 101 HB2 ARG 101 15.992 -0.692 -1.367 739 HB3 ARG 101 HB3 ARG 101 16.520 -2.054 -0.389 740 HG2 ARG 101 HG2 ARG 101 17.228 -3.264 -2.326 741 HG3 ARG 101 HG3 ARG 101 16.516 -2.055 -3.398 742 HD2 ARG 101 HD2 ARG 101 18.745 -1.500 -1.445 743 HD3 ARG 101 HD3 ARG 101 18.991 -1.876 -3.151 744 HE ARG 101 HE ARG 101 17.212 0.258 -3.017 745 HH11 ARG 101 HH11 ARG 101 17.899 2.406 -3.341 746 HH12 ARG 101 HH12 ARG 101 19.563 2.817 -3.095 747 HH21 ARG 101 HH21 ARG 101 20.526 -0.428 -2.203 748 HH22 ARG 101 HH22 ARG 101 21.063 1.200 -2.444 749 H ARG 102 H ARG 102 13.470 -0.251 -0.672 750 HA ARG 102 HA ARG 102 13.360 -0.676 2.104 751 HB2 ARG 102 HB2 ARG 102 13.091 1.544 1.072 752 HB3 ARG 102 HB3 ARG 102 11.541 1.046 0.407 753 HG2 ARG 102 HG2 ARG 102 11.107 2.357 2.340 754 HG3 ARG 102 HG3 ARG 102 10.746 0.675 2.747 755 HD2 ARG 102 HD2 ARG 102 11.960 1.769 4.556 756 HD3 ARG 102 HD3 ARG 102 12.916 0.469 3.849 757 HE ARG 102 HE ARG 102 14.439 2.025 3.093 758 HH11 ARG 102 HH11 ARG 102 15.401 4.089 3.041 759 HH12 ARG 102 HH12 ARG 102 14.488 5.471 3.546 760 HH21 ARG 102 HH21 ARG 102 11.600 3.645 4.305 761 HH22 ARG 102 HH22 ARG 102 12.323 5.219 4.267 762 H ALA 103 H ALA 103 11.045 -1.363 -0.459 763 HA ALA 103 HA ALA 103 8.886 -2.169 1.162 764 HB1 ALA 103 HB1 ALA 103 9.560 -3.238 -1.581 765 HB2 ALA 103 HB2 ALA 103 8.765 -1.692 -1.285 766 HB3 ALA 103 HB3 ALA 103 7.976 -3.194 -0.806 767 H ILE 104 H ILE 104 11.660 -3.914 -0.148 768 HA ILE 104 HA ILE 104 10.899 -6.511 0.643 769 HB ILE 104 HB ILE 104 13.654 -5.342 0.198 770 HG12 ILE 104 HG12 ILE 104 12.223 -5.290 -1.790 771 HG13 ILE 104 HG13 ILE 104 13.506 -6.479 -1.985 772 HG21 ILE 104 HG21 ILE 104 14.588 -7.267 0.799 773 HG22 ILE 104 HG22 ILE 104 13.478 -8.188 -0.218 774 HG23 ILE 104 HG23 ILE 104 13.021 -7.768 1.433 775 HD11 ILE 104 HD11 ILE 104 10.579 -6.869 -1.695 776 HD12 ILE 104 HD12 ILE 104 11.659 -8.118 -1.076 777 HD13 ILE 104 HD13 ILE 104 11.728 -7.659 -2.776 778 H HIS 105 H HIS 105 12.841 -4.011 2.271 779 HA HIS 105 HA HIS 105 13.507 -5.563 4.532 780 HB2 HIS 105 HB2 HIS 105 13.371 -2.588 4.081 781 HB3 HIS 105 HB3 HIS 105 13.827 -3.271 5.637 782 HD2 HIS 105 HD2 HIS 105 15.447 -2.200 2.431 783 HE1 HIS 105 HE1 HIS 105 18.203 -4.835 4.226 784 H LEU 106 H LEU 106 10.761 -3.396 3.896 785 HA LEU 106 HA LEU 106 9.705 -3.744 6.553 786 HB2 LEU 106 HB2 LEU 106 9.244 -2.001 4.367 787 HB3 LEU 106 HB3 LEU 106 7.713 -2.760 4.756 788 HG LEU 106 HG LEU 106 7.630 -0.883 6.087 789 HD11 LEU 106 HD11 LEU 106 9.137 -2.369 8.151 790 HD12 LEU 106 HD12 LEU 106 7.768 -3.194 7.402 791 HD13 LEU 106 HD13 LEU 106 7.531 -1.644 8.212 792 HD21 LEU 106 HD21 LEU 106 10.602 -1.198 6.427 793 HD22 LEU 106 HD22 LEU 106 9.645 -0.058 7.372 794 HD23 LEU 106 HD23 LEU 106 9.726 0.101 5.617 795 H ILE 107 H ILE 107 9.364 -5.438 3.555 796 HA ILE 107 HA ILE 107 6.815 -6.572 3.968 797 HB ILE 107 HB ILE 107 8.369 -6.569 1.840 798 HG12 ILE 107 HG12 ILE 107 7.080 -8.698 1.082 799 HG13 ILE 107 HG13 ILE 107 6.324 -8.595 2.669 800 HG21 ILE 107 HG21 ILE 107 9.336 -8.800 1.402 801 HG22 ILE 107 HG22 ILE 107 9.016 -9.241 3.079 802 HG23 ILE 107 HG23 ILE 107 10.154 -7.942 2.710 803 HD11 ILE 107 HD11 ILE 107 5.050 -7.519 0.822 804 HD12 ILE 107 HD12 ILE 107 6.353 -6.337 0.686 805 HD13 ILE 107 HD13 ILE 107 5.417 -6.453 2.178 806 H THR 108 H THR 108 9.846 -7.226 5.433 807 HA THR 108 HA THR 108 9.348 -9.936 6.189 808 HB THR 108 HB THR 108 11.279 -9.703 7.672 809 HG1 THR 108 HG1 THR 108 11.524 -6.990 6.861 810 HG21 THR 108 HG21 THR 108 11.921 -10.194 5.468 811 HG22 THR 108 HG22 THR 108 12.935 -8.822 5.919 812 HG23 THR 108 HG23 THR 108 11.520 -8.573 4.896 813 H ASN 109 H ASN 109 8.049 -7.021 7.262 814 HA ASN 109 HA ASN 109 7.699 -7.864 10.029 815 HB2 ASN 109 HB2 ASN 109 8.105 -5.436 9.151 816 HB3 ASN 109 HB3 ASN 109 6.375 -5.454 8.829 817 HD21 ASN 109 HD21 ASN 109 5.882 -3.914 10.349 818 HD22 ASN 109 HD22 ASN 109 6.007 -4.191 12.052 819 H TYR 110 H TYR 110 6.410 -9.125 7.526 820 HA TYR 110 HA TYR 110 3.582 -8.799 8.102 821 HB2 TYR 110 HB2 TYR 110 4.006 -8.950 5.791 822 HB3 TYR 110 HB3 TYR 110 5.131 -10.288 5.994 823 HD1 TYR 110 HD1 TYR 110 1.498 -9.434 6.322 824 HD2 TYR 110 HD2 TYR 110 4.420 -12.471 5.698 825 HE1 TYR 110 HE1 TYR 110 -0.285 -11.057 5.855 826 HE2 TYR 110 HE2 TYR 110 2.640 -14.093 5.224 827 HH TYR 110 HH TYR 110 0.103 -14.278 5.922 828 H GLY 111 H GLY 111 2.435 -10.073 9.386 829 HA2 GLY 111 HA2 GLY 111 3.271 -12.836 9.852 830 HA3 GLY 111 HA3 GLY 111 3.169 -11.778 11.253 831 H ALA 112 H ALA 112 1.285 -13.107 8.562 832 HA ALA 112 HA ALA 112 -1.026 -13.313 10.311 833 HB1 ALA 112 HB1 ALA 112 -2.187 -12.316 7.998 834 HB2 ALA 112 HB2 ALA 112 -0.795 -11.266 8.279 835 HB3 ALA 112 HB3 ALA 112 -2.012 -11.473 9.538 836 H VAL 113 H VAL 113 -2.863 -14.451 9.157 837 HA VAL 113 HA VAL 113 -1.752 -16.740 7.750 838 HB VAL 113 HB VAL 113 -4.123 -17.643 8.023 839 HG11 VAL 113 HG11 VAL 113 -3.748 -17.848 10.599 840 HG12 VAL 113 HG12 VAL 113 -2.227 -17.028 10.247 841 HG13 VAL 113 HG13 VAL 113 -2.594 -18.572 9.480 842 HG21 VAL 113 HG21 VAL 113 -4.477 -15.551 10.128 843 HG22 VAL 113 HG22 VAL 113 -5.685 -16.559 9.332 844 HG23 VAL 113 HG23 VAL 113 -4.958 -15.207 8.466 845 H LEU 114 H LEU 114 -1.875 -14.316 6.259 846 HA LEU 114 HA LEU 114 -2.278 -13.652 4.134 847 HB2 LEU 114 HB2 LEU 114 -2.876 -16.456 4.062 848 HB3 LEU 114 HB3 LEU 114 -4.009 -15.596 3.041 849 HG LEU 114 HG LEU 114 -1.940 -14.487 1.989 850 HD11 LEU 114 HD11 LEU 114 0.111 -15.828 2.110 851 HD12 LEU 114 HD12 LEU 114 -0.632 -16.833 3.355 852 HD13 LEU 114 HD13 LEU 114 -0.317 -15.127 3.669 853 HD21 LEU 114 HD21 LEU 114 -3.266 -16.058 0.764 854 HD22 LEU 114 HD22 LEU 114 -2.551 -17.415 1.634 855 HD23 LEU 114 HD23 LEU 114 -1.567 -16.465 0.521 856 H SER 115 H SER 115 -4.469 -13.771 2.492 857 HA SER 115 HA SER 115 -6.664 -12.711 4.140 858 HB2 SER 115 HB2 SER 115 -5.562 -11.505 1.585 859 HB3 SER 115 HB3 SER 115 -7.006 -10.944 2.425 860 HG SER 115 HG SER 115 -5.710 -10.403 4.201 861 HA PRO 116 HA PRO 116 -9.244 -15.327 1.663 862 HB2 PRO 116 HB2 PRO 116 -11.608 -14.011 1.806 863 HB3 PRO 116 HB3 PRO 116 -10.922 -14.886 3.181 864 HG2 PRO 116 HG2 PRO 116 -10.831 -11.950 2.570 865 HG3 PRO 116 HG3 PRO 116 -11.179 -12.761 4.111 866 HD2 PRO 116 HD2 PRO 116 -8.752 -11.717 3.552 867 HD3 PRO 116 HD3 PRO 116 -8.946 -13.178 4.541 868 H SER 117 H SER 117 -10.269 -15.483 -0.380 869 HA SER 117 HA SER 117 -9.694 -13.209 -2.151 870 HB2 SER 117 HB2 SER 117 -10.036 -16.149 -2.799 871 HB3 SER 117 HB3 SER 117 -9.714 -14.883 -3.984 872 HG SER 117 HG SER 117 -7.970 -14.941 -1.849 873 H GLU 118 H GLU 118 -11.245 -12.389 -3.514 874 HA GLU 118 HA GLU 118 -13.967 -13.473 -3.220 875 HB2 GLU 118 HB2 GLU 118 -13.078 -10.585 -3.174 876 HB3 GLU 118 HB3 GLU 118 -14.750 -11.070 -3.413 877 HG2 GLU 118 HG2 GLU 118 -14.854 -12.051 -1.241 878 HG3 GLU 118 HG3 GLU 118 -13.121 -11.845 -1.006 879 H LYS 119 H LYS 119 -15.292 -13.378 -5.040 880 HA LYS 119 HA LYS 119 -13.997 -12.502 -7.535 881 HB2 LYS 119 HB2 LYS 119 -15.604 -15.026 -7.082 882 HB3 LYS 119 HB3 LYS 119 -15.128 -14.429 -8.666 883 HG2 LYS 119 HG2 LYS 119 -12.772 -14.663 -8.046 884 HG3 LYS 119 HG3 LYS 119 -13.255 -15.269 -6.463 885 HD2 LYS 119 HD2 LYS 119 -14.367 -17.170 -7.514 886 HD3 LYS 119 HD3 LYS 119 -13.932 -16.553 -9.111 887 HE2 LYS 119 HE2 LYS 119 -12.402 -18.312 -8.457 888 HE3 LYS 119 HE3 LYS 119 -11.554 -16.768 -8.525 889 HZ1 LYS 119 HZ1 LYS 119 -12.655 -17.428 -5.936 890 HZ2 LYS 119 HZ2 LYS 119 -11.131 -16.816 -6.341 891 HZ3 LYS 119 HZ3 LYS 119 -11.434 -18.476 -6.463 892 H SER 120 H SER 120 -15.391 -11.726 -9.168 893 HA SER 120 HA SER 120 -18.222 -11.476 -8.588 894 HB2 SER 120 HB2 SER 120 -18.241 -9.034 -8.771 895 HB3 SER 120 HB3 SER 120 -17.209 -9.534 -7.431 896 HG SER 120 HG SER 120 -15.936 -9.273 -9.871 897 H TYR 121 H TYR 121 -19.423 -10.546 -10.431 898 HA TYR 121 HA TYR 121 -18.007 -10.416 -12.959 899 HB2 TYR 121 HB2 TYR 121 -19.380 -12.119 -14.049 900 HB3 TYR 121 HB3 TYR 121 -18.488 -12.822 -12.706 901 HD1 TYR 121 HD1 TYR 121 -21.798 -11.962 -13.998 902 HD2 TYR 121 HD2 TYR 121 -19.658 -13.561 -10.685 903 HE1 TYR 121 HE1 TYR 121 -23.895 -12.864 -13.085 904 HE2 TYR 121 HE2 TYR 121 -21.750 -14.467 -9.764 905 HH TYR 121 HH TYR 121 -24.258 -15.115 -11.191 906 H GLN 122 H GLN 122 -19.448 -9.714 -14.739 907 HA GLN 122 HA GLN 122 -21.983 -8.544 -13.954 908 HB2 GLN 122 HB2 GLN 122 -21.374 -6.287 -14.724 909 HB3 GLN 122 HB3 GLN 122 -20.413 -6.781 -13.339 910 HG2 GLN 122 HG2 GLN 122 -18.542 -7.302 -14.808 911 HG3 GLN 122 HG3 GLN 122 -19.505 -6.845 -16.212 912 HE21 GLN 122 HE21 GLN 122 -17.159 -5.806 -14.210 913 HE22 GLN 122 HE22 GLN 122 -17.375 -4.098 -14.351 914 H GLU 123 H GLU 123 -23.186 -7.698 -15.803 915 HA GLU 123 HA GLU 123 -23.051 -9.410 -18.041 916 HB2 GLU 123 HB2 GLU 123 -24.584 -6.857 -17.547 917 HB3 GLU 123 HB3 GLU 123 -24.762 -7.809 -19.014 918 HG2 GLU 123 HG2 GLU 123 -25.597 -9.678 -17.782 919 HG3 GLU 123 HG3 GLU 123 -25.234 -8.891 -16.247 920 H GLY 124 H GLY 124 -21.986 -6.077 -17.537 921 HA2 GLY 124 HA2 GLY 124 -20.062 -5.216 -18.666 922 HA3 GLY 124 HA3 GLY 124 -20.397 -6.311 -20.000 Start of MODEL 12 1 H1 SER 1 HT1 SER 1 4.335 9.883 -23.534 2 H2 SER 1 HT2 SER 1 4.246 11.565 -23.360 3 H3 SER 1 HT3 SER 1 3.954 10.560 -22.030 4 HA SER 1 HA SER 1 6.250 9.756 -22.131 5 HB2 SER 1 HB2 SER 1 7.320 11.928 -23.691 6 HB3 SER 1 HB3 SER 1 7.522 10.190 -23.930 7 HG SER 1 HG SER 1 5.058 10.886 -24.672 8 H GLU 2 H GLU 2 4.329 12.336 -21.517 9 HA GLU 2 HA GLU 2 6.333 13.557 -19.738 10 HB2 GLU 2 HB2 GLU 2 4.076 14.971 -21.177 11 HB3 GLU 2 HB3 GLU 2 5.162 15.717 -20.012 12 HG2 GLU 2 HG2 GLU 2 7.055 15.275 -21.505 13 HG3 GLU 2 HG3 GLU 2 5.954 14.550 -22.674 14 H PHE 3 H PHE 3 5.643 14.132 -17.674 15 HA PHE 3 HA PHE 3 2.882 13.695 -16.916 16 HB2 PHE 3 HB2 PHE 3 3.427 12.083 -15.139 17 HB3 PHE 3 HB3 PHE 3 3.817 11.439 -16.729 18 HD1 PHE 3 HD1 PHE 3 5.157 12.589 -13.531 19 HD2 PHE 3 HD2 PHE 3 6.128 11.098 -17.399 20 HE1 PHE 3 HE1 PHE 3 7.439 12.086 -12.761 21 HE2 PHE 3 HE2 PHE 3 8.411 10.593 -16.634 22 HZ PHE 3 HZ PHE 3 9.070 11.088 -14.313 23 H GLY 4 H GLY 4 2.461 14.350 -14.659 24 HA2 GLY 4 HA2 GLY 4 3.896 16.775 -14.069 25 HA3 GLY 4 HA3 GLY 4 2.531 16.125 -13.171 26 H SER 5 H SER 5 5.125 17.271 -12.262 27 HA SER 5 HA SER 5 6.281 14.936 -10.912 28 HB2 SER 5 HB2 SER 5 7.376 17.756 -11.037 29 HB3 SER 5 HB3 SER 5 8.216 16.319 -10.455 30 HG SER 5 HG SER 5 7.244 16.006 -12.983 31 H MET 6 H MET 6 4.604 14.694 -9.377 32 HA MET 6 HA MET 6 4.625 16.748 -7.262 33 HB2 MET 6 HB2 MET 6 2.310 14.977 -8.079 34 HB3 MET 6 HB3 MET 6 2.303 16.094 -6.723 35 HG2 MET 6 HG2 MET 6 2.623 16.867 -9.615 36 HG3 MET 6 HG3 MET 6 1.133 16.985 -8.678 37 HE1 MET 6 HE1 MET 6 2.885 20.006 -10.014 38 HE2 MET 6 HE2 MET 6 1.580 20.556 -8.964 39 HE3 MET 6 HE3 MET 6 1.358 19.125 -9.967 40 H ALA 7 H ALA 7 4.856 16.027 -5.160 41 HA ALA 7 HA ALA 7 4.827 13.167 -4.624 42 HB1 ALA 7 HB1 ALA 7 7.212 14.047 -3.424 43 HB2 ALA 7 HB2 ALA 7 7.258 14.607 -5.096 44 HB3 ALA 7 HB3 ALA 7 7.027 12.893 -4.748 45 H GLY 8 H GLY 8 4.731 12.644 -2.399 46 HA2 GLY 8 HA2 GLY 8 3.876 14.915 -0.726 47 HA3 GLY 8 HA3 GLY 8 3.392 13.238 -0.491 48 H ASN 9 H ASN 9 4.080 13.846 1.771 49 HA ASN 9 HA ASN 9 6.894 13.093 2.095 50 HB2 ASN 9 HB2 ASN 9 6.750 15.547 2.375 51 HB3 ASN 9 HB3 ASN 9 5.546 15.323 3.640 52 HD21 ASN 9 HD21 ASN 9 8.889 14.704 2.755 53 HD22 ASN 9 HD22 ASN 9 9.490 14.607 4.370 54 H CYS 10 H CYS 10 6.621 11.101 2.916 55 HA CYS 10 HA CYS 10 5.379 10.879 5.532 56 HB2 CYS 10 HB2 CYS 10 3.536 10.373 3.962 57 HB3 CYS 10 HB3 CYS 10 4.516 9.100 3.242 58 HG CYS 10 HG CYS 10 4.605 7.564 5.605 59 H GLY 11 H GLY 11 6.383 9.398 6.812 60 HA2 GLY 11 HA2 GLY 11 8.707 8.044 5.657 61 HA3 GLY 11 HA3 GLY 11 8.426 8.336 7.366 62 H ALA 12 H ALA 12 9.028 6.086 7.649 63 HA ALA 12 HA ALA 12 7.544 3.947 6.547 64 HB1 ALA 12 HB1 ALA 12 8.720 2.540 8.024 65 HB2 ALA 12 HB2 ALA 12 8.989 3.843 9.181 66 HB3 ALA 12 HB3 ALA 12 9.839 3.845 7.634 67 H ARG 13 H ARG 13 5.900 2.670 7.442 68 HA ARG 13 HA ARG 13 3.871 4.056 8.791 69 HB2 ARG 13 HB2 ARG 13 3.422 2.165 7.306 70 HB3 ARG 13 HB3 ARG 13 4.217 1.073 8.433 71 HG2 ARG 13 HG2 ARG 13 1.826 0.884 8.651 72 HG3 ARG 13 HG3 ARG 13 2.501 1.597 10.117 73 HD2 ARG 13 HD2 ARG 13 1.901 3.838 9.252 74 HD3 ARG 13 HD3 ARG 13 1.148 3.070 7.857 75 HE ARG 13 HE ARG 13 -0.643 2.480 9.172 76 HH11 ARG 13 HH11 ARG 13 -1.944 2.634 11.029 77 HH12 ARG 13 HH12 ARG 13 -1.252 3.182 12.519 78 HH21 ARG 13 HH21 ARG 13 1.957 3.643 11.189 79 HH22 ARG 13 HH22 ARG 13 0.972 3.758 12.611 80 H GLY 14 H GLY 14 6.126 1.569 10.029 81 HA2 GLY 14 HA2 GLY 14 6.685 2.547 12.456 82 HA3 GLY 14 HA3 GLY 14 5.066 1.921 12.712 83 H ALA 15 H ALA 15 7.024 0.945 14.245 84 HA ALA 15 HA ALA 15 8.394 -1.318 13.270 85 HB1 ALA 15 HB1 ALA 15 7.556 -0.698 16.099 86 HB2 ALA 15 HB2 ALA 15 9.041 -0.152 15.316 87 HB3 ALA 15 HB3 ALA 15 8.779 -1.871 15.608 88 H LEU 16 H LEU 16 5.216 -0.963 14.778 89 HA LEU 16 HA LEU 16 4.782 -3.853 14.498 90 HB2 LEU 16 HB2 LEU 16 2.839 -3.524 15.971 91 HB3 LEU 16 HB3 LEU 16 4.337 -3.005 16.715 92 HG LEU 16 HG LEU 16 3.162 -0.748 15.425 93 HD11 LEU 16 HD11 LEU 16 1.062 -0.579 16.645 94 HD12 LEU 16 HD12 LEU 16 1.289 -2.206 17.285 95 HD13 LEU 16 HD13 LEU 16 1.046 -1.963 15.553 96 HD21 LEU 16 HD21 LEU 16 3.283 0.208 17.620 97 HD22 LEU 16 HD22 LEU 16 4.709 -0.800 17.377 98 HD23 LEU 16 HD23 LEU 16 3.370 -1.388 18.362 99 H SER 17 H SER 17 2.653 -4.574 13.688 100 HA SER 17 HA SER 17 1.894 -2.932 11.398 101 HB2 SER 17 HB2 SER 17 0.606 -5.140 10.846 102 HB3 SER 17 HB3 SER 17 2.362 -5.088 10.665 103 HG SER 17 HG SER 17 0.943 -6.727 12.171 104 H ALA 18 H ALA 18 0.318 -1.523 11.794 105 HA ALA 18 HA ALA 18 -1.861 -2.189 13.611 106 HB1 ALA 18 HB1 ALA 18 -2.547 0.163 13.270 107 HB2 ALA 18 HB2 ALA 18 -1.200 0.366 12.149 108 HB3 ALA 18 HB3 ALA 18 -0.889 0.005 13.848 109 H HIS 19 H HIS 19 -1.186 -2.475 10.358 110 HA HIS 19 HA HIS 19 -3.985 -2.240 9.534 111 HB2 HIS 19 HB2 HIS 19 -1.431 -2.258 7.941 112 HB3 HIS 19 HB3 HIS 19 -3.016 -2.408 7.189 113 HD2 HIS 19 HD2 HIS 19 -0.598 0.280 8.230 114 HE1 HIS 19 HE1 HIS 19 -4.318 2.218 7.828 115 H THR 20 H THR 20 -2.699 -4.579 10.994 116 HA THR 20 HA THR 20 -2.506 -6.738 9.162 117 HB THR 20 HB THR 20 -3.173 -6.866 12.111 118 HG1 THR 20 HG1 THR 20 -1.202 -6.090 12.282 119 HG21 THR 20 HG21 THR 20 -3.555 -9.015 11.297 120 HG22 THR 20 HG22 THR 20 -1.866 -9.085 11.803 121 HG23 THR 20 HG23 THR 20 -2.268 -8.895 10.096 122 H LEU 21 H LEU 21 -4.092 -7.654 8.018 123 HA LEU 21 HA LEU 21 -6.570 -8.460 9.194 124 HB2 LEU 21 HB2 LEU 21 -6.532 -5.895 8.058 125 HB3 LEU 21 HB3 LEU 21 -7.312 -6.918 6.869 126 HG LEU 21 HG LEU 21 -8.356 -7.405 9.535 127 HD11 LEU 21 HD11 LEU 21 -7.882 -5.139 10.035 128 HD12 LEU 21 HD12 LEU 21 -9.596 -5.222 9.627 129 HD13 LEU 21 HD13 LEU 21 -8.438 -4.601 8.451 130 HD21 LEU 21 HD21 LEU 21 -9.573 -6.514 6.922 131 HD22 LEU 21 HD22 LEU 21 -10.491 -6.979 8.355 132 HD23 LEU 21 HD23 LEU 21 -9.475 -8.165 7.537 133 H LEU 22 H LEU 22 -7.944 -9.645 7.578 134 HA LEU 22 HA LEU 22 -6.372 -11.466 6.114 135 HB2 LEU 22 HB2 LEU 22 -8.481 -12.105 7.095 136 HB3 LEU 22 HB3 LEU 22 -9.341 -10.964 6.082 137 HG LEU 22 HG LEU 22 -8.694 -12.288 4.087 138 HD11 LEU 22 HD11 LEU 22 -6.654 -13.293 5.160 139 HD12 LEU 22 HD12 LEU 22 -7.674 -14.419 4.268 140 HD13 LEU 22 HD13 LEU 22 -7.740 -14.377 6.029 141 HD21 LEU 22 HD21 LEU 22 -10.211 -14.168 4.527 142 HD22 LEU 22 HD22 LEU 22 -10.856 -12.637 5.122 143 HD23 LEU 22 HD23 LEU 22 -10.152 -13.797 6.250 144 H PHE 23 H PHE 23 -8.595 -8.926 4.887 145 HA PHE 23 HA PHE 23 -7.758 -9.479 2.163 146 HB2 PHE 23 HB2 PHE 23 -9.673 -7.436 3.308 147 HB3 PHE 23 HB3 PHE 23 -9.328 -7.604 1.588 148 HD1 PHE 23 HD1 PHE 23 -11.131 -8.939 4.428 149 HD2 PHE 23 HD2 PHE 23 -9.989 -9.660 0.390 150 HE1 PHE 23 HE1 PHE 23 -12.870 -10.672 4.248 151 HE2 PHE 23 HE2 PHE 23 -11.726 -11.391 0.204 152 HZ PHE 23 HZ PHE 23 -13.170 -11.898 2.133 153 H ASP 24 H ASP 24 -7.282 -7.043 4.598 154 HA ASP 24 HA ASP 24 -5.377 -5.674 2.841 155 HB2 ASP 24 HB2 ASP 24 -5.547 -3.823 4.674 156 HB3 ASP 24 HB3 ASP 24 -6.794 -3.948 3.444 157 H LEU 25 H LEU 25 -4.026 -7.522 3.364 158 HA LEU 25 HA LEU 25 -3.024 -8.325 5.765 159 HB2 LEU 25 HB2 LEU 25 -1.492 -7.903 3.198 160 HB3 LEU 25 HB3 LEU 25 -0.922 -8.861 4.552 161 HG LEU 25 HG LEU 25 -3.408 -9.460 2.956 162 HD11 LEU 25 HD11 LEU 25 -0.999 -11.185 2.870 163 HD12 LEU 25 HD12 LEU 25 -1.001 -9.700 1.916 164 HD13 LEU 25 HD13 LEU 25 -2.248 -10.918 1.654 165 HD21 LEU 25 HD21 LEU 25 -2.226 -10.586 5.401 166 HD22 LEU 25 HD22 LEU 25 -2.729 -11.762 4.188 167 HD23 LEU 25 HD23 LEU 25 -3.895 -10.607 4.829 168 HA PRO 26 HA PRO 26 -0.717 -5.438 8.159 169 HB2 PRO 26 HB2 PRO 26 1.770 -6.837 7.355 170 HB3 PRO 26 HB3 PRO 26 1.152 -6.473 8.963 171 HG2 PRO 26 HG2 PRO 26 0.984 -8.931 7.649 172 HG3 PRO 26 HG3 PRO 26 0.089 -8.454 9.099 173 HD2 PRO 26 HD2 PRO 26 -0.958 -8.988 6.517 174 HD3 PRO 26 HD3 PRO 26 -1.834 -8.367 7.924 175 HA PRO 27 HA PRO 27 0.887 -2.044 5.896 176 HB2 PRO 27 HB2 PRO 27 3.211 -2.138 7.768 177 HB3 PRO 27 HB3 PRO 27 2.203 -0.764 7.285 178 HG2 PRO 27 HG2 PRO 27 1.833 -1.927 9.625 179 HG3 PRO 27 HG3 PRO 27 0.448 -1.408 8.649 180 HD2 PRO 27 HD2 PRO 27 1.513 -4.154 9.111 181 HD3 PRO 27 HD3 PRO 27 -0.158 -3.611 8.890 182 H ALA 28 H ALA 28 2.709 -4.928 6.082 183 HA ALA 28 HA ALA 28 5.110 -4.270 4.861 184 HB1 ALA 28 HB1 ALA 28 5.281 -6.450 5.337 185 HB2 ALA 28 HB2 ALA 28 4.495 -6.729 3.784 186 HB3 ALA 28 HB3 ALA 28 3.535 -6.689 5.262 187 H LEU 29 H LEU 29 1.896 -4.744 3.428 188 HA LEU 29 HA LEU 29 3.089 -4.098 0.820 189 HB2 LEU 29 HB2 LEU 29 1.504 -6.182 1.349 190 HB3 LEU 29 HB3 LEU 29 0.267 -4.994 0.962 191 HG LEU 29 HG LEU 29 1.321 -4.597 -1.218 192 HD11 LEU 29 HD11 LEU 29 3.489 -5.080 -1.398 193 HD12 LEU 29 HD12 LEU 29 2.996 -6.761 -1.596 194 HD13 LEU 29 HD13 LEU 29 3.449 -6.156 -0.003 195 HD21 LEU 29 HD21 LEU 29 1.128 -7.316 -1.750 196 HD22 LEU 29 HD22 LEU 29 -0.170 -6.125 -1.825 197 HD23 LEU 29 HD23 LEU 29 0.087 -7.059 -0.351 198 H LEU 30 H LEU 30 -0.247 -3.583 2.005 199 HA LEU 30 HA LEU 30 -0.614 -1.218 0.524 200 HB2 LEU 30 HB2 LEU 30 -2.470 -2.606 1.317 201 HB3 LEU 30 HB3 LEU 30 -2.080 -2.204 2.977 202 HG LEU 30 HG LEU 30 -2.640 0.165 2.500 203 HD11 LEU 30 HD11 LEU 30 -4.114 0.408 0.372 204 HD12 LEU 30 HD12 LEU 30 -3.155 -0.952 -0.212 205 HD13 LEU 30 HD13 LEU 30 -2.359 0.551 0.256 206 HD21 LEU 30 HD21 LEU 30 -5.163 -0.828 1.721 207 HD22 LEU 30 HD22 LEU 30 -4.605 -0.421 3.343 208 HD23 LEU 30 HD23 LEU 30 -4.403 -2.061 2.729 209 H GLY 31 H GLY 31 0.099 -1.580 4.017 210 HA2 GLY 31 HA2 GLY 31 -0.081 1.154 4.636 211 HA3 GLY 31 HA3 GLY 31 0.799 -0.043 5.573 212 H GLU 32 H GLU 32 2.878 -0.748 4.021 213 HA GLU 32 HA GLU 32 4.569 1.530 4.244 214 HB2 GLU 32 HB2 GLU 32 5.214 -0.845 4.710 215 HB3 GLU 32 HB3 GLU 32 5.238 -1.117 2.971 216 HG2 GLU 32 HG2 GLU 32 7.469 -0.734 3.570 217 HG3 GLU 32 HG3 GLU 32 6.922 0.773 2.838 218 H LEU 33 H LEU 33 3.254 -0.232 1.428 219 HA LEU 33 HA LEU 33 4.785 1.213 -0.460 220 HB2 LEU 33 HB2 LEU 33 2.194 -0.299 -0.805 221 HB3 LEU 33 HB3 LEU 33 3.061 0.458 -2.131 222 HG LEU 33 HG LEU 33 4.191 -1.709 -0.357 223 HD11 LEU 33 HD11 LEU 33 3.956 -3.113 -2.407 224 HD12 LEU 33 HD12 LEU 33 2.981 -1.824 -3.111 225 HD13 LEU 33 HD13 LEU 33 2.429 -2.652 -1.654 226 HD21 LEU 33 HD21 LEU 33 5.528 -1.511 -2.831 227 HD22 LEU 33 HD22 LEU 33 6.157 -1.159 -1.221 228 HD23 LEU 33 HD23 LEU 33 5.415 0.122 -2.177 229 H CYS 34 H CYS 34 1.585 1.843 0.948 230 HA CYS 34 HA CYS 34 1.064 4.035 -0.799 231 HB2 CYS 34 HB2 CYS 34 -0.853 4.497 0.518 232 HB3 CYS 34 HB3 CYS 34 -0.689 2.745 0.491 233 HG CYS 34 HG CYS 34 0.731 2.922 3.088 234 H ALA 35 H ALA 35 2.752 3.691 2.239 235 HA ALA 35 HA ALA 35 2.813 6.541 2.747 236 HB1 ALA 35 HB1 ALA 35 4.664 5.198 4.402 237 HB2 ALA 35 HB2 ALA 35 3.229 4.181 4.268 238 HB3 ALA 35 HB3 ALA 35 3.081 5.848 4.826 239 H VAL 36 H VAL 36 5.376 4.098 2.224 240 HA VAL 36 HA VAL 36 7.458 5.989 2.038 241 HB VAL 36 HB VAL 36 7.312 3.099 1.197 242 HG11 VAL 36 HG11 VAL 36 9.225 5.020 0.341 243 HG12 VAL 36 HG12 VAL 36 9.245 3.272 0.099 244 HG13 VAL 36 HG13 VAL 36 10.004 3.973 1.529 245 HG21 VAL 36 HG21 VAL 36 7.207 3.776 3.622 246 HG22 VAL 36 HG22 VAL 36 8.846 4.396 3.434 247 HG23 VAL 36 HG23 VAL 36 8.521 2.680 3.191 248 H LEU 37 H LEU 37 5.611 4.352 -0.546 249 HA LEU 37 HA LEU 37 7.197 5.492 -2.623 250 HB2 LEU 37 HB2 LEU 37 4.413 4.353 -2.790 251 HB3 LEU 37 HB3 LEU 37 5.454 4.715 -4.152 252 HG LEU 37 HG LEU 37 6.016 2.637 -2.034 253 HD11 LEU 37 HD11 LEU 37 4.750 2.546 -4.714 254 HD12 LEU 37 HD12 LEU 37 4.375 1.638 -3.252 255 HD13 LEU 37 HD13 LEU 37 5.783 1.206 -4.220 256 HD21 LEU 37 HD21 LEU 37 7.763 1.947 -3.753 257 HD22 LEU 37 HD22 LEU 37 8.105 3.393 -2.802 258 HD23 LEU 37 HD23 LEU 37 7.531 3.545 -4.463 259 H ASP 38 H ASP 38 4.646 6.678 -0.686 260 HA ASP 38 HA ASP 38 3.502 8.582 -2.392 261 HB2 ASP 38 HB2 ASP 38 2.459 8.039 -0.267 262 HB3 ASP 38 HB3 ASP 38 3.870 8.610 0.619 263 H SER 39 H SER 39 6.396 8.656 -0.415 264 HA SER 39 HA SER 39 6.948 11.447 -0.913 265 HB2 SER 39 HB2 SER 39 8.673 9.275 0.309 266 HB3 SER 39 HB3 SER 39 9.053 10.997 0.300 267 HG SER 39 HG SER 39 7.609 9.670 2.069 268 H CYS 40 H CYS 40 7.064 8.863 -2.881 269 HA CYS 40 HA CYS 40 9.639 8.941 -4.019 270 HB2 CYS 40 HB2 CYS 40 8.142 7.060 -4.387 271 HB3 CYS 40 HB3 CYS 40 7.012 8.099 -5.258 272 HG CYS 40 HG CYS 40 8.308 6.509 -7.120 273 H ASP 41 H ASP 41 10.496 10.024 -5.678 274 HA ASP 41 HA ASP 41 8.897 12.121 -6.967 275 HB2 ASP 41 HB2 ASP 41 10.495 12.921 -5.079 276 HB3 ASP 41 HB3 ASP 41 11.781 12.579 -6.236 277 H GLY 42 H GLY 42 9.308 9.647 -8.027 278 HA2 GLY 42 HA2 GLY 42 9.724 9.036 -10.272 279 HA3 GLY 42 HA3 GLY 42 10.956 10.284 -10.359 280 H ALA 43 H ALA 43 11.835 9.070 -7.595 281 HA ALA 43 HA ALA 43 14.003 7.575 -8.596 282 HB1 ALA 43 HB1 ALA 43 14.539 7.100 -6.277 283 HB2 ALA 43 HB2 ALA 43 12.930 7.621 -5.777 284 HB3 ALA 43 HB3 ALA 43 14.062 8.788 -6.460 285 H LEU 44 H LEU 44 10.970 6.551 -7.066 286 HA LEU 44 HA LEU 44 11.586 3.779 -7.859 287 HB2 LEU 44 HB2 LEU 44 9.626 4.724 -5.748 288 HB3 LEU 44 HB3 LEU 44 9.990 3.056 -6.150 289 HG LEU 44 HG LEU 44 11.969 5.010 -4.966 290 HD11 LEU 44 HD11 LEU 44 11.779 3.521 -2.971 291 HD12 LEU 44 HD12 LEU 44 10.379 2.770 -3.734 292 HD13 LEU 44 HD13 LEU 44 10.339 4.482 -3.309 293 HD21 LEU 44 HD21 LEU 44 13.239 2.832 -4.575 294 HD22 LEU 44 HD22 LEU 44 13.215 3.469 -6.218 295 HD23 LEU 44 HD23 LEU 44 12.161 2.126 -5.778 296 H GLY 45 H GLY 45 9.606 6.465 -8.394 297 HA2 GLY 45 HA2 GLY 45 7.944 6.846 -9.932 298 HA3 GLY 45 HA3 GLY 45 8.165 5.197 -10.496 299 H TRP 46 H TRP 46 6.161 7.326 -8.689 300 HA TRP 46 HA TRP 46 4.786 5.640 -6.973 301 HB2 TRP 46 HB2 TRP 46 2.715 7.095 -7.628 302 HB3 TRP 46 HB3 TRP 46 4.103 7.853 -6.832 303 HD1 TRP 46 HD1 TRP 46 2.317 7.692 -10.226 304 HE1 TRP 46 HE1 TRP 46 3.082 9.693 -11.648 305 HE3 TRP 46 HE3 TRP 46 5.999 9.501 -7.175 306 HZ2 TRP 46 HZ2 TRP 46 4.986 11.771 -11.496 307 HZ3 TRP 46 HZ3 TRP 46 7.237 11.502 -7.886 308 HH2 TRP 46 HH2 TRP 46 6.744 12.611 -10.002 309 H ARG 47 H ARG 47 4.010 6.249 -10.412 310 HA ARG 47 HA ARG 47 2.195 3.994 -10.482 311 HB2 ARG 47 HB2 ARG 47 1.820 4.584 -12.829 312 HB3 ARG 47 HB3 ARG 47 1.608 5.976 -11.782 313 HG2 ARG 47 HG2 ARG 47 3.948 6.662 -12.389 314 HG3 ARG 47 HG3 ARG 47 3.937 5.362 -13.582 315 HD2 ARG 47 HD2 ARG 47 2.008 6.378 -14.680 316 HD3 ARG 47 HD3 ARG 47 1.986 7.661 -13.473 317 HE ARG 47 HE ARG 47 3.797 8.650 -14.509 318 HH11 ARG 47 HH11 ARG 47 5.214 8.977 -16.264 319 HH12 ARG 47 HH12 ARG 47 5.411 7.729 -17.448 320 HH21 ARG 47 HH21 ARG 47 3.176 5.519 -15.909 321 HH22 ARG 47 HH22 ARG 47 4.249 5.758 -17.247 322 H GLY 48 H GLY 48 5.462 4.137 -10.514 323 HA2 GLY 48 HA2 GLY 48 6.273 2.693 -12.776 324 HA3 GLY 48 HA3 GLY 48 7.121 2.718 -11.239 325 H LEU 49 H LEU 49 5.100 1.553 -9.665 326 HA LEU 49 HA LEU 49 5.481 -1.214 -10.409 327 HB2 LEU 49 HB2 LEU 49 3.839 -0.503 -8.050 328 HB3 LEU 49 HB3 LEU 49 5.109 -1.702 -8.213 329 HG LEU 49 HG LEU 49 6.555 0.601 -8.415 330 HD11 LEU 49 HD11 LEU 49 5.797 2.237 -6.925 331 HD12 LEU 49 HD12 LEU 49 4.534 1.190 -6.278 332 HD13 LEU 49 HD13 LEU 49 4.391 1.838 -7.910 333 HD21 LEU 49 HD21 LEU 49 7.193 0.196 -6.083 334 HD22 LEU 49 HD22 LEU 49 7.101 -1.302 -7.008 335 HD23 LEU 49 HD23 LEU 49 5.804 -0.874 -5.893 336 H ALA 50 H ALA 50 2.745 0.989 -9.822 337 HA ALA 50 HA ALA 50 0.683 -0.860 -10.296 338 HB1 ALA 50 HB1 ALA 50 -0.760 1.072 -10.572 339 HB2 ALA 50 HB2 ALA 50 0.652 2.117 -10.729 340 HB3 ALA 50 HB3 ALA 50 0.331 1.289 -9.204 341 H GLU 51 H GLU 51 2.405 1.273 -12.526 342 HA GLU 51 HA GLU 51 0.750 0.948 -14.755 343 HB2 GLU 51 HB2 GLU 51 2.441 2.719 -14.592 344 HB3 GLU 51 HB3 GLU 51 3.722 1.516 -14.666 345 HG2 GLU 51 HG2 GLU 51 3.511 2.551 -16.811 346 HG3 GLU 51 HG3 GLU 51 2.942 0.889 -16.934 347 H ARG 52 H ARG 52 3.568 -0.903 -13.643 348 HA ARG 52 HA ARG 52 3.775 -2.577 -15.902 349 HB2 ARG 52 HB2 ARG 52 4.659 -2.965 -13.044 350 HB3 ARG 52 HB3 ARG 52 5.003 -4.128 -14.319 351 HG2 ARG 52 HG2 ARG 52 6.195 -2.361 -15.564 352 HG3 ARG 52 HG3 ARG 52 5.912 -1.261 -14.215 353 HD2 ARG 52 HD2 ARG 52 7.157 -2.744 -12.732 354 HD3 ARG 52 HD3 ARG 52 7.447 -3.850 -14.078 355 HE ARG 52 HE ARG 52 8.788 -1.352 -13.552 356 HH11 ARG 52 HH11 ARG 52 10.542 -0.803 -14.896 357 HH12 ARG 52 HH12 ARG 52 10.781 -1.657 -16.383 358 HH21 ARG 52 HH21 ARG 52 8.002 -3.743 -15.964 359 HH22 ARG 52 HH22 ARG 52 9.334 -3.335 -16.992 360 H LEU 53 H LEU 53 1.948 -2.909 -12.874 361 HA LEU 53 HA LEU 53 1.042 -5.550 -13.444 362 HB2 LEU 53 HB2 LEU 53 1.059 -4.644 -11.160 363 HB3 LEU 53 HB3 LEU 53 -0.163 -3.467 -11.613 364 HG LEU 53 HG LEU 53 -1.764 -5.298 -12.034 365 HD11 LEU 53 HD11 LEU 53 -0.549 -7.170 -12.633 366 HD12 LEU 53 HD12 LEU 53 -1.025 -7.551 -10.979 367 HD13 LEU 53 HD13 LEU 53 0.606 -6.973 -11.314 368 HD21 LEU 53 HD21 LEU 53 -0.642 -4.553 -9.480 369 HD22 LEU 53 HD22 LEU 53 -1.321 -6.179 -9.432 370 HD23 LEU 53 HD23 LEU 53 -2.324 -4.818 -9.936 371 H SER 54 H SER 54 -0.381 -2.335 -13.912 372 HA SER 54 HA SER 54 -2.125 -3.487 -15.970 373 HB2 SER 54 HB2 SER 54 -3.071 -1.642 -13.759 374 HB3 SER 54 HB3 SER 54 -4.035 -2.123 -15.157 375 HG SER 54 HG SER 54 -3.020 -4.304 -13.973 376 H SER 55 H SER 55 -1.965 -2.340 -17.816 377 HA SER 55 HA SER 55 -0.853 0.378 -17.614 378 HB2 SER 55 HB2 SER 55 -0.762 -1.564 -19.938 379 HB3 SER 55 HB3 SER 55 -0.056 0.051 -19.927 380 HG SER 55 HG SER 55 0.818 -1.259 -17.773 381 H SER 56 H SER 56 -2.371 1.883 -17.780 382 HA SER 56 HA SER 56 -4.212 1.775 -20.041 383 HB2 SER 56 HB2 SER 56 -5.107 2.243 -17.184 384 HB3 SER 56 HB3 SER 56 -6.118 2.481 -18.610 385 HG SER 56 HG SER 56 -4.980 0.041 -18.665 386 H TRP 57 H TRP 57 -4.769 3.802 -20.851 387 HA TRP 57 HA TRP 57 -2.990 5.933 -20.076 388 HB2 TRP 57 HB2 TRP 57 -4.072 7.155 -21.997 389 HB3 TRP 57 HB3 TRP 57 -3.288 5.638 -22.421 390 HD1 TRP 57 HD1 TRP 57 -4.813 3.686 -23.351 391 HE1 TRP 57 HE1 TRP 57 -7.251 3.607 -24.169 392 HE3 TRP 57 HE3 TRP 57 -6.431 8.192 -21.544 393 HZ2 TRP 57 HZ2 TRP 57 -9.553 5.237 -24.070 394 HZ3 TRP 57 HZ3 TRP 57 -8.764 8.856 -21.954 395 HH2 TRP 57 HH2 TRP 57 -10.292 7.408 -23.192 396 H LEU 58 H LEU 58 -6.081 5.004 -19.123 397 HA LEU 58 HA LEU 58 -6.911 7.729 -18.485 398 HB2 LEU 58 HB2 LEU 58 -9.000 6.515 -17.630 399 HB3 LEU 58 HB3 LEU 58 -8.721 6.563 -19.360 400 HG LEU 58 HG LEU 58 -7.526 4.188 -18.287 401 HD11 LEU 58 HD11 LEU 58 -9.024 4.241 -16.456 402 HD12 LEU 58 HD12 LEU 58 -9.684 3.088 -17.616 403 HD13 LEU 58 HD13 LEU 58 -10.378 4.704 -17.488 404 HD21 LEU 58 HD21 LEU 58 -8.310 4.667 -20.622 405 HD22 LEU 58 HD22 LEU 58 -9.961 4.469 -20.035 406 HD23 LEU 58 HD23 LEU 58 -8.831 3.117 -19.963 407 H ASP 59 H ASP 59 -5.819 4.795 -16.933 408 HA ASP 59 HA ASP 59 -6.540 5.412 -14.287 409 HB2 ASP 59 HB2 ASP 59 -4.389 3.630 -15.413 410 HB3 ASP 59 HB3 ASP 59 -4.644 3.812 -13.683 411 H VAL 60 H VAL 60 -3.667 6.231 -16.154 412 HA VAL 60 HA VAL 60 -2.135 7.206 -14.002 413 HB VAL 60 HB VAL 60 -0.767 8.353 -15.686 414 HG11 VAL 60 HG11 VAL 60 -0.716 5.820 -15.174 415 HG12 VAL 60 HG12 VAL 60 0.160 6.422 -16.581 416 HG13 VAL 60 HG13 VAL 60 -1.409 5.642 -16.787 417 HG21 VAL 60 HG21 VAL 60 -2.450 7.225 -17.878 418 HG22 VAL 60 HG22 VAL 60 -1.321 8.580 -17.909 419 HG23 VAL 60 HG23 VAL 60 -2.905 8.767 -17.155 420 H ASP 61 H ASP 61 -4.848 8.579 -15.582 421 HA ASP 61 HA ASP 61 -4.227 11.329 -15.319 422 HB2 ASP 61 HB2 ASP 61 -6.035 10.504 -16.782 423 HB3 ASP 61 HB3 ASP 61 -6.943 9.991 -15.361 424 H HIS 62 H HIS 62 -6.001 9.062 -13.230 425 HA HIS 62 HA HIS 62 -6.277 11.117 -11.218 426 HB2 HIS 62 HB2 HIS 62 -7.485 9.417 -9.912 427 HB3 HIS 62 HB3 HIS 62 -8.181 9.702 -11.493 428 HD2 HIS 62 HD2 HIS 62 -6.195 6.934 -9.585 429 HE1 HIS 62 HE1 HIS 62 -8.020 5.188 -12.963 430 H ILE 63 H ILE 63 -3.948 8.754 -11.970 431 HA ILE 63 HA ILE 63 -2.998 8.065 -9.412 432 HB ILE 63 HB ILE 63 -1.537 8.322 -12.046 433 HG12 ILE 63 HG12 ILE 63 -2.232 5.885 -10.393 434 HG13 ILE 63 HG13 ILE 63 -3.230 6.493 -11.712 435 HG21 ILE 63 HG21 ILE 63 0.407 8.326 -10.971 436 HG22 ILE 63 HG22 ILE 63 0.001 6.732 -10.338 437 HG23 ILE 63 HG23 ILE 63 -0.397 8.177 -9.407 438 HD11 ILE 63 HD11 ILE 63 -0.986 4.751 -11.816 439 HD12 ILE 63 HD12 ILE 63 -0.613 6.217 -12.720 440 HD13 ILE 63 HD13 ILE 63 -2.048 5.273 -13.121 441 H GLU 64 H GLU 64 -2.354 10.854 -11.489 442 HA GLU 64 HA GLU 64 -0.430 12.060 -9.764 443 HB2 GLU 64 HB2 GLU 64 -2.091 13.147 -12.038 444 HB3 GLU 64 HB3 GLU 64 -0.908 14.113 -11.168 445 HG2 GLU 64 HG2 GLU 64 0.878 12.697 -11.893 446 HG3 GLU 64 HG3 GLU 64 -0.256 11.548 -12.601 447 H LYS 65 H LYS 65 -3.875 11.938 -9.749 448 HA LYS 65 HA LYS 65 -4.340 14.408 -8.387 449 HB2 LYS 65 HB2 LYS 65 -5.956 12.126 -9.293 450 HB3 LYS 65 HB3 LYS 65 -6.554 12.912 -7.838 451 HG2 LYS 65 HG2 LYS 65 -7.639 13.948 -9.659 452 HG3 LYS 65 HG3 LYS 65 -6.424 15.091 -9.089 453 HD2 LYS 65 HD2 LYS 65 -4.919 14.386 -10.883 454 HD3 LYS 65 HD3 LYS 65 -6.123 13.228 -11.444 455 HE2 LYS 65 HE2 LYS 65 -7.679 15.066 -11.889 456 HE3 LYS 65 HE3 LYS 65 -6.467 16.223 -11.341 457 HZ1 LYS 65 HZ1 LYS 65 -5.448 16.155 -13.302 458 HZ2 LYS 65 HZ2 LYS 65 -6.804 15.336 -13.898 459 HZ3 LYS 65 HZ3 LYS 65 -5.458 14.465 -13.358 460 H GLU 66 H GLU 66 -4.421 11.003 -7.226 461 HA GLU 66 HA GLU 66 -4.695 11.993 -4.509 462 HB2 GLU 66 HB2 GLU 66 -4.356 9.069 -5.141 463 HB3 GLU 66 HB3 GLU 66 -5.194 9.833 -3.803 464 HG2 GLU 66 HG2 GLU 66 -6.938 10.629 -5.316 465 HG3 GLU 66 HG3 GLU 66 -6.114 9.854 -6.669 466 H VAL 67 H VAL 67 -2.071 11.548 -6.477 467 HA VAL 67 HA VAL 67 -0.243 10.189 -4.861 468 HB VAL 67 HB VAL 67 0.134 10.908 -7.255 469 HG11 VAL 67 HG11 VAL 67 0.758 13.530 -5.918 470 HG12 VAL 67 HG12 VAL 67 -0.392 13.219 -7.221 471 HG13 VAL 67 HG13 VAL 67 1.342 13.094 -7.525 472 HG21 VAL 67 HG21 VAL 67 2.655 11.622 -6.566 473 HG22 VAL 67 HG22 VAL 67 2.049 9.964 -6.556 474 HG23 VAL 67 HG23 VAL 67 2.088 10.898 -5.061 475 H ASP 68 H ASP 68 -1.354 13.517 -4.721 476 HA ASP 68 HA ASP 68 0.512 14.175 -2.581 477 HB2 ASP 68 HB2 ASP 68 -1.621 15.780 -4.002 478 HB3 ASP 68 HB3 ASP 68 -0.725 16.399 -2.619 479 H GLN 69 H GLN 69 -2.333 12.559 -2.806 480 HA GLN 69 HA GLN 69 -3.369 13.499 -0.218 481 HB2 GLN 69 HB2 GLN 69 -4.750 11.882 -2.369 482 HB3 GLN 69 HB3 GLN 69 -5.476 12.388 -0.851 483 HG2 GLN 69 HG2 GLN 69 -4.498 14.221 -3.030 484 HG3 GLN 69 HG3 GLN 69 -6.180 13.804 -2.701 485 HE21 GLN 69 HE21 GLN 69 -4.036 16.183 -2.361 486 HE22 GLN 69 HE22 GLN 69 -4.620 16.936 -0.921 487 H GLY 70 H GLY 70 -1.108 11.543 -0.742 488 HA2 GLY 70 HA2 GLY 70 -0.520 9.888 0.909 489 HA3 GLY 70 HA3 GLY 70 -2.207 9.412 0.968 490 H LYS 71 H LYS 71 -0.903 9.936 -2.154 491 HA LYS 71 HA LYS 71 0.189 8.592 -3.684 492 HB2 LYS 71 HB2 LYS 71 1.230 7.118 -2.111 493 HB3 LYS 71 HB3 LYS 71 -0.309 6.368 -1.715 494 HG2 LYS 71 HG2 LYS 71 1.024 4.889 -3.093 495 HG3 LYS 71 HG3 LYS 71 -0.424 5.402 -3.960 496 HD2 LYS 71 HD2 LYS 71 1.497 5.432 -5.454 497 HD3 LYS 71 HD3 LYS 71 0.924 7.078 -5.171 498 HE2 LYS 71 HE2 LYS 71 2.823 6.493 -3.181 499 HE3 LYS 71 HE3 LYS 71 3.501 5.964 -4.714 500 HZ1 LYS 71 HZ1 LYS 71 2.545 8.678 -4.008 501 HZ2 LYS 71 HZ2 LYS 71 2.891 8.210 -5.592 502 HZ3 LYS 71 HZ3 LYS 71 4.117 8.207 -4.425 503 H SER 72 H SER 72 -0.601 7.740 -5.495 504 HA SER 72 HA SER 72 -3.338 6.687 -5.482 505 HB2 SER 72 HB2 SER 72 -3.019 9.111 -6.319 506 HB3 SER 72 HB3 SER 72 -2.283 8.370 -7.729 507 HG SER 72 HG SER 72 -4.481 8.658 -8.111 508 H GLY 73 H GLY 73 -0.113 6.676 -6.820 509 HA2 GLY 73 HA2 GLY 73 -0.478 5.020 -9.030 510 HA3 GLY 73 HA3 GLY 73 0.999 5.112 -8.069 511 H THR 74 H THR 74 0.746 3.937 -5.864 512 HA THR 74 HA THR 74 -0.046 1.249 -6.512 513 HB THR 74 HB THR 74 0.891 1.383 -3.838 514 HG1 THR 74 HG1 THR 74 2.638 2.684 -3.957 515 HG21 THR 74 HG21 THR 74 1.296 -0.476 -5.338 516 HG22 THR 74 HG22 THR 74 2.839 0.183 -4.793 517 HG23 THR 74 HG23 THR 74 2.242 0.557 -6.410 518 H ARG 75 H ARG 75 -1.010 3.811 -4.296 519 HA ARG 75 HA ARG 75 -2.633 2.281 -2.585 520 HB2 ARG 75 HB2 ARG 75 -1.888 4.619 -2.117 521 HB3 ARG 75 HB3 ARG 75 -3.019 5.186 -3.335 522 HG2 ARG 75 HG2 ARG 75 -4.876 4.304 -2.067 523 HG3 ARG 75 HG3 ARG 75 -3.774 3.670 -0.849 524 HD2 ARG 75 HD2 ARG 75 -3.037 5.952 -0.349 525 HD3 ARG 75 HD3 ARG 75 -4.156 6.575 -1.561 526 HE ARG 75 HE ARG 75 -5.594 5.013 0.268 527 HH11 ARG 75 HH11 ARG 75 -6.840 5.994 1.905 528 HH12 ARG 75 HH12 ARG 75 -6.494 7.622 2.383 529 HH21 ARG 75 HH21 ARG 75 -3.854 8.018 0.117 530 HH22 ARG 75 HH22 ARG 75 -4.791 8.782 1.355 531 H GLU 76 H GLU 76 -3.504 4.146 -5.519 532 HA GLU 76 HA GLU 76 -6.249 3.536 -5.423 533 HB2 GLU 76 HB2 GLU 76 -5.388 5.361 -6.800 534 HB3 GLU 76 HB3 GLU 76 -4.517 4.225 -7.825 535 HG2 GLU 76 HG2 GLU 76 -7.478 3.942 -7.530 536 HG3 GLU 76 HG3 GLU 76 -6.840 5.238 -8.537 537 H LEU 77 H LEU 77 -3.530 1.886 -6.932 538 HA LEU 77 HA LEU 77 -4.953 -0.044 -8.380 539 HB2 LEU 77 HB2 LEU 77 -2.570 0.408 -8.689 540 HB3 LEU 77 HB3 LEU 77 -2.230 -0.206 -7.085 541 HG LEU 77 HG LEU 77 -2.991 -2.453 -7.819 542 HD11 LEU 77 HD11 LEU 77 -4.427 -2.271 -9.577 543 HD12 LEU 77 HD12 LEU 77 -2.935 -2.607 -10.454 544 HD13 LEU 77 HD13 LEU 77 -3.529 -0.950 -10.323 545 HD21 LEU 77 HD21 LEU 77 -0.817 -2.745 -8.127 546 HD22 LEU 77 HD22 LEU 77 -0.618 -1.046 -8.554 547 HD23 LEU 77 HD23 LEU 77 -1.009 -2.228 -9.803 548 H LEU 78 H LEU 78 -3.647 -0.155 -5.069 549 HA LEU 78 HA LEU 78 -4.562 -2.799 -4.546 550 HB2 LEU 78 HB2 LEU 78 -3.750 -0.589 -2.648 551 HB3 LEU 78 HB3 LEU 78 -4.022 -2.260 -2.177 552 HG LEU 78 HG LEU 78 -1.873 -1.269 -4.053 553 HD11 LEU 78 HD11 LEU 78 -1.694 -2.388 -1.264 554 HD12 LEU 78 HD12 LEU 78 -1.434 -0.708 -1.733 555 HD13 LEU 78 HD13 LEU 78 -0.332 -1.962 -2.299 556 HD21 LEU 78 HD21 LEU 78 -1.250 -3.847 -3.322 557 HD22 LEU 78 HD22 LEU 78 -1.921 -3.347 -4.873 558 HD23 LEU 78 HD23 LEU 78 -2.989 -3.919 -3.593 559 H TRP 79 H TRP 79 -5.909 0.400 -3.923 560 HA TRP 79 HA TRP 79 -8.138 -0.593 -2.409 561 HB2 TRP 79 HB2 TRP 79 -7.309 2.101 -3.396 562 HB3 TRP 79 HB3 TRP 79 -8.952 1.855 -2.816 563 HD1 TRP 79 HD1 TRP 79 -5.403 2.287 -1.614 564 HE1 TRP 79 HE1 TRP 79 -5.373 2.354 0.960 565 HE3 TRP 79 HE3 TRP 79 -10.222 0.844 -0.709 566 HZ2 TRP 79 HZ2 TRP 79 -7.158 1.860 3.091 567 HZ3 TRP 79 HZ3 TRP 79 -10.983 0.667 1.623 568 HH2 TRP 79 HH2 TRP 79 -9.481 1.165 3.485 569 H SER 80 H SER 80 -7.562 -0.701 -5.675 570 HA SER 80 HA SER 80 -9.942 0.179 -6.841 571 HB2 SER 80 HB2 SER 80 -8.065 -2.037 -7.678 572 HB3 SER 80 HB3 SER 80 -9.401 -1.460 -8.675 573 HG SER 80 HG SER 80 -7.500 0.355 -7.650 574 H TRP 81 H TRP 81 -9.215 -2.995 -5.383 575 HA TRP 81 HA TRP 81 -11.863 -3.956 -6.102 576 HB2 TRP 81 HB2 TRP 81 -9.517 -5.201 -4.679 577 HB3 TRP 81 HB3 TRP 81 -11.090 -5.991 -4.724 578 HD1 TRP 81 HD1 TRP 81 -7.986 -5.470 -6.755 579 HE1 TRP 81 HE1 TRP 81 -8.231 -6.642 -9.034 580 HE3 TRP 81 HE3 TRP 81 -12.983 -6.549 -6.585 581 HZ2 TRP 81 HZ2 TRP 81 -10.271 -7.861 -10.557 582 HZ3 TRP 81 HZ3 TRP 81 -14.002 -7.720 -8.492 583 HH2 TRP 81 HH2 TRP 81 -12.672 -8.362 -10.438 584 H ALA 82 H ALA 82 -10.455 -4.620 -2.956 585 HA ALA 82 HA ALA 82 -12.806 -3.359 -1.704 586 HB1 ALA 82 HB1 ALA 82 -13.047 -5.398 -0.797 587 HB2 ALA 82 HB2 ALA 82 -11.692 -4.953 0.242 588 HB3 ALA 82 HB3 ALA 82 -11.409 -5.882 -1.232 589 H GLN 83 H GLN 83 -9.859 -4.345 -0.087 590 HA GLN 83 HA GLN 83 -9.289 -1.523 0.540 591 HB2 GLN 83 HB2 GLN 83 -8.464 -4.005 2.076 592 HB3 GLN 83 HB3 GLN 83 -8.096 -2.345 2.532 593 HG2 GLN 83 HG2 GLN 83 -9.900 -2.573 3.840 594 HG3 GLN 83 HG3 GLN 83 -10.785 -2.218 2.357 595 HE21 GLN 83 HE21 GLN 83 -11.754 -3.688 4.593 596 HE22 GLN 83 HE22 GLN 83 -12.105 -5.288 4.047 597 H LYS 84 H LYS 84 -7.654 -4.654 0.140 598 HA LYS 84 HA LYS 84 -5.695 -3.324 -1.588 599 HB2 LYS 84 HB2 LYS 84 -4.400 -3.579 0.358 600 HB3 LYS 84 HB3 LYS 84 -5.142 -5.119 0.765 601 HG2 LYS 84 HG2 LYS 84 -3.916 -6.250 -0.925 602 HG3 LYS 84 HG3 LYS 84 -3.355 -4.738 -1.620 603 HD2 LYS 84 HD2 LYS 84 -1.596 -5.830 -0.340 604 HD3 LYS 84 HD3 LYS 84 -2.048 -4.296 0.398 605 HE2 LYS 84 HE2 LYS 84 -1.725 -6.128 2.032 606 HE3 LYS 84 HE3 LYS 84 -3.344 -5.421 2.076 607 HZ1 LYS 84 HZ1 LYS 84 -4.287 -7.322 1.349 608 HZ2 LYS 84 HZ2 LYS 84 -2.884 -8.035 1.977 609 HZ3 LYS 84 HZ3 LYS 84 -2.998 -7.721 0.322 610 H ASN 85 H ASN 85 -7.141 -6.362 -0.509 611 HA ASN 85 HA ASN 85 -7.559 -8.359 -1.509 612 HB2 ASN 85 HB2 ASN 85 -9.083 -6.653 -2.718 613 HB3 ASN 85 HB3 ASN 85 -7.984 -6.862 -4.079 614 HD21 ASN 85 HD21 ASN 85 -9.257 -7.958 -5.468 615 HD22 ASN 85 HD22 ASN 85 -9.960 -9.502 -5.139 616 H LYS 86 H LYS 86 -4.830 -7.673 -1.476 617 HA LYS 86 HA LYS 86 -3.882 -9.248 -3.749 618 HB2 LYS 86 HB2 LYS 86 -3.349 -6.442 -3.317 619 HB3 LYS 86 HB3 LYS 86 -1.855 -7.358 -3.200 620 HG2 LYS 86 HG2 LYS 86 -1.967 -6.761 -5.436 621 HG3 LYS 86 HG3 LYS 86 -2.564 -8.422 -5.428 622 HD2 LYS 86 HD2 LYS 86 -4.885 -7.145 -5.107 623 HD3 LYS 86 HD3 LYS 86 -3.996 -5.876 -5.954 624 HE2 LYS 86 HE2 LYS 86 -4.482 -8.701 -6.894 625 HE3 LYS 86 HE3 LYS 86 -5.175 -7.226 -7.566 626 HZ1 LYS 86 HZ1 LYS 86 -2.858 -6.537 -8.104 627 HZ2 LYS 86 HZ2 LYS 86 -3.395 -7.891 -8.960 628 HZ3 LYS 86 HZ3 LYS 86 -2.333 -8.082 -7.655 629 H THR 87 H THR 87 -1.493 -9.880 -3.311 630 HA THR 87 HA THR 87 -1.147 -10.280 -0.419 631 HB THR 87 HB THR 87 -0.151 -12.470 -0.838 632 HG1 THR 87 HG1 THR 87 -0.550 -13.311 -3.084 633 HG21 THR 87 HG21 THR 87 -2.144 -13.508 -0.788 634 HG22 THR 87 HG22 THR 87 -2.630 -12.859 -2.354 635 HG23 THR 87 HG23 THR 87 -2.822 -11.884 -0.898 636 H ILE 88 H ILE 88 1.071 -10.592 0.262 637 HA ILE 88 HA ILE 88 2.786 -8.617 -0.718 638 HB ILE 88 HB ILE 88 3.080 -10.848 1.245 639 HG12 ILE 88 HG12 ILE 88 3.644 -8.880 2.730 640 HG13 ILE 88 HG13 ILE 88 3.312 -7.831 1.357 641 HG21 ILE 88 HG21 ILE 88 5.418 -9.826 1.707 642 HG22 ILE 88 HG22 ILE 88 5.340 -9.337 0.015 643 HG23 ILE 88 HG23 ILE 88 5.231 -11.044 0.445 644 HD11 ILE 88 HD11 ILE 88 1.007 -8.622 1.320 645 HD12 ILE 88 HD12 ILE 88 1.433 -7.941 2.890 646 HD13 ILE 88 HD13 ILE 88 1.349 -9.691 2.683 647 H GLY 89 H GLY 89 2.753 -12.116 -1.302 648 HA2 GLY 89 HA2 GLY 89 5.160 -12.266 -2.756 649 HA3 GLY 89 HA3 GLY 89 3.818 -13.395 -2.889 650 H ASP 90 H ASP 90 1.856 -11.561 -3.819 651 HA ASP 90 HA ASP 90 2.343 -11.646 -6.595 652 HB2 ASP 90 HB2 ASP 90 0.083 -11.706 -5.595 653 HB3 ASP 90 HB3 ASP 90 0.266 -10.022 -5.112 654 H LEU 91 H LEU 91 2.389 -8.918 -4.313 655 HA LEU 91 HA LEU 91 3.066 -7.013 -6.357 656 HB2 LEU 91 HB2 LEU 91 2.372 -6.933 -3.557 657 HB3 LEU 91 HB3 LEU 91 3.766 -5.921 -3.871 658 HG LEU 91 HG LEU 91 1.932 -4.468 -4.061 659 HD11 LEU 91 HD11 LEU 91 1.964 -5.054 -6.945 660 HD12 LEU 91 HD12 LEU 91 3.552 -4.854 -6.200 661 HD13 LEU 91 HD13 LEU 91 2.351 -3.568 -6.076 662 HD21 LEU 91 HD21 LEU 91 0.017 -5.728 -4.086 663 HD22 LEU 91 HD22 LEU 91 0.601 -6.805 -5.354 664 HD23 LEU 91 HD23 LEU 91 0.054 -5.178 -5.761 665 H LEU 92 H LEU 92 4.841 -9.111 -4.261 666 HA LEU 92 HA LEU 92 7.292 -7.782 -4.098 667 HB2 LEU 92 HB2 LEU 92 6.748 -9.762 -2.774 668 HB3 LEU 92 HB3 LEU 92 6.733 -10.746 -4.224 669 HG LEU 92 HG LEU 92 9.151 -10.317 -4.522 670 HD11 LEU 92 HD11 LEU 92 8.668 -8.535 -2.221 671 HD12 LEU 92 HD12 LEU 92 9.821 -8.394 -3.546 672 HD13 LEU 92 HD13 LEU 92 10.162 -9.473 -2.192 673 HD21 LEU 92 HD21 LEU 92 8.431 -11.415 -1.808 674 HD22 LEU 92 HD22 LEU 92 9.908 -11.747 -2.715 675 HD23 LEU 92 HD23 LEU 92 8.352 -12.307 -3.328 676 H GLN 93 H GLN 93 6.030 -9.941 -6.599 677 HA GLN 93 HA GLN 93 8.376 -10.160 -8.136 678 HB2 GLN 93 HB2 GLN 93 5.455 -10.326 -8.889 679 HB3 GLN 93 HB3 GLN 93 6.763 -10.708 -10.002 680 HG2 GLN 93 HG2 GLN 93 7.481 -12.535 -8.652 681 HG3 GLN 93 HG3 GLN 93 6.380 -12.078 -7.352 682 HE21 GLN 93 HE21 GLN 93 4.286 -12.702 -7.432 683 HE22 GLN 93 HE22 GLN 93 3.630 -13.721 -8.665 684 H VAL 94 H VAL 94 5.704 -7.832 -8.264 685 HA VAL 94 HA VAL 94 6.694 -6.387 -10.512 686 HB VAL 94 HB VAL 94 4.724 -5.582 -8.361 687 HG11 VAL 94 HG11 VAL 94 5.768 -3.626 -9.447 688 HG12 VAL 94 HG12 VAL 94 4.045 -3.766 -9.797 689 HG13 VAL 94 HG13 VAL 94 5.235 -4.239 -11.011 690 HG21 VAL 94 HG21 VAL 94 4.450 -7.464 -10.343 691 HG22 VAL 94 HG22 VAL 94 3.741 -6.023 -11.072 692 HG23 VAL 94 HG23 VAL 94 3.129 -6.627 -9.530 693 H LEU 95 H LEU 95 6.868 -5.924 -7.012 694 HA LEU 95 HA LEU 95 8.195 -3.452 -6.980 695 HB2 LEU 95 HB2 LEU 95 7.693 -5.643 -5.069 696 HB3 LEU 95 HB3 LEU 95 9.087 -4.645 -4.710 697 HG LEU 95 HG LEU 95 7.645 -2.645 -4.689 698 HD11 LEU 95 HD11 LEU 95 5.135 -3.151 -4.515 699 HD12 LEU 95 HD12 LEU 95 5.524 -4.652 -5.357 700 HD13 LEU 95 HD13 LEU 95 5.865 -3.101 -6.120 701 HD21 LEU 95 HD21 LEU 95 6.158 -4.323 -2.831 702 HD22 LEU 95 HD22 LEU 95 7.242 -2.968 -2.517 703 HD23 LEU 95 HD23 LEU 95 7.901 -4.585 -2.765 704 H GLN 96 H GLN 96 9.408 -6.759 -7.120 705 HA GLN 96 HA GLN 96 12.128 -6.242 -6.700 706 HB2 GLN 96 HB2 GLN 96 11.087 -8.499 -6.700 707 HB3 GLN 96 HB3 GLN 96 10.902 -8.392 -8.444 708 HG2 GLN 96 HG2 GLN 96 13.307 -8.314 -8.723 709 HG3 GLN 96 HG3 GLN 96 13.530 -8.335 -6.973 710 HE21 GLN 96 HE21 GLN 96 14.853 -10.211 -8.184 711 HE22 GLN 96 HE22 GLN 96 14.094 -11.756 -8.054 712 H GLU 97 H GLU 97 10.187 -6.174 -9.656 713 HA GLU 97 HA GLU 97 12.307 -5.799 -11.470 714 HB2 GLU 97 HB2 GLU 97 10.022 -6.425 -12.163 715 HB3 GLU 97 HB3 GLU 97 9.439 -4.836 -11.678 716 HG2 GLU 97 HG2 GLU 97 9.689 -4.876 -14.052 717 HG3 GLU 97 HG3 GLU 97 10.921 -3.817 -13.371 718 H MET 98 H MET 98 10.272 -3.476 -9.704 719 HA MET 98 HA MET 98 11.518 -1.182 -10.830 720 HB2 MET 98 HB2 MET 98 9.791 -1.518 -8.387 721 HB3 MET 98 HB3 MET 98 10.416 0.040 -8.910 722 HG2 MET 98 HG2 MET 98 8.528 -1.764 -10.405 723 HG3 MET 98 HG3 MET 98 8.189 -0.178 -9.721 724 HE1 MET 98 HE1 MET 98 9.460 1.885 -10.330 725 HE2 MET 98 HE2 MET 98 9.881 2.302 -11.994 726 HE3 MET 98 HE3 MET 98 11.061 1.496 -10.960 727 H GLY 99 H GLY 99 12.129 -3.013 -7.838 728 HA2 GLY 99 HA2 GLY 99 14.398 -3.101 -6.996 729 HA3 GLY 99 HA3 GLY 99 14.653 -1.485 -7.631 730 H HIS 100 H HIS 100 11.996 -2.709 -5.614 731 HA HIS 100 HA HIS 100 11.850 -0.470 -3.960 732 HB2 HIS 100 HB2 HIS 100 10.451 -1.864 -2.500 733 HB3 HIS 100 HB3 HIS 100 10.032 -2.088 -4.191 734 HD2 HIS 100 HD2 HIS 100 10.538 -4.207 -1.191 735 HE1 HIS 100 HE1 HIS 100 11.557 -6.732 -4.399 736 H ARG 101 H ARG 101 13.414 0.299 -2.660 737 HA ARG 101 HA ARG 101 15.318 -1.493 -1.416 738 HB2 ARG 101 HB2 ARG 101 15.048 1.506 -1.465 739 HB3 ARG 101 HB3 ARG 101 16.265 0.686 -0.500 740 HG2 ARG 101 HG2 ARG 101 17.295 -0.233 -2.450 741 HG3 ARG 101 HG3 ARG 101 15.982 0.348 -3.476 742 HD2 ARG 101 HD2 ARG 101 16.595 2.646 -3.014 743 HD3 ARG 101 HD3 ARG 101 17.844 2.114 -1.887 744 HE ARG 101 HE ARG 101 19.217 1.646 -3.666 745 HH11 ARG 101 HH11 ARG 101 19.841 1.697 -5.855 746 HH12 ARG 101 HH12 ARG 101 18.643 1.944 -7.082 747 HH21 ARG 101 HH21 ARG 101 15.974 2.175 -4.829 748 HH22 ARG 101 HH22 ARG 101 16.439 2.217 -6.498 749 H ARG 102 H ARG 102 13.305 1.135 -0.081 750 HA ARG 102 HA ARG 102 13.600 0.282 2.593 751 HB2 ARG 102 HB2 ARG 102 13.027 2.604 1.974 752 HB3 ARG 102 HB3 ARG 102 11.439 2.055 1.451 753 HG2 ARG 102 HG2 ARG 102 11.220 2.996 3.637 754 HG3 ARG 102 HG3 ARG 102 11.022 1.245 3.770 755 HD2 ARG 102 HD2 ARG 102 13.313 1.016 4.532 756 HD3 ARG 102 HD3 ARG 102 13.572 2.751 4.343 757 HE ARG 102 HE ARG 102 11.429 2.502 6.049 758 HH11 ARG 102 HH11 ARG 102 11.632 2.536 8.322 759 HH12 ARG 102 HH12 ARG 102 13.139 2.097 9.053 760 HH21 ARG 102 HH21 ARG 102 14.752 1.462 6.012 761 HH22 ARG 102 HH22 ARG 102 14.918 1.483 7.735 762 H ALA 103 H ALA 103 11.169 -0.400 0.159 763 HA ALA 103 HA ALA 103 9.171 -1.451 1.799 764 HB1 ALA 103 HB1 ALA 103 9.190 -0.940 -0.756 765 HB2 ALA 103 HB2 ALA 103 8.137 -2.197 -0.108 766 HB3 ALA 103 HB3 ALA 103 9.652 -2.633 -0.893 767 H ILE 104 H ILE 104 12.154 -2.939 0.634 768 HA ILE 104 HA ILE 104 11.553 -5.627 1.210 769 HB ILE 104 HB ILE 104 14.203 -4.165 1.276 770 HG12 ILE 104 HG12 ILE 104 13.157 -6.198 -0.703 771 HG13 ILE 104 HG13 ILE 104 13.025 -4.457 -0.925 772 HG21 ILE 104 HG21 ILE 104 13.628 -6.665 2.451 773 HG22 ILE 104 HG22 ILE 104 15.206 -5.919 2.195 774 HG23 ILE 104 HG23 ILE 104 14.528 -6.989 0.970 775 HD11 ILE 104 HD11 ILE 104 15.068 -4.368 -1.758 776 HD12 ILE 104 HD12 ILE 104 15.142 -6.127 -1.665 777 HD13 ILE 104 HD13 ILE 104 15.736 -5.148 -0.323 778 H HIS 105 H HIS 105 12.784 -3.005 3.204 779 HA HIS 105 HA HIS 105 13.415 -4.432 5.526 780 HB2 HIS 105 HB2 HIS 105 14.001 -2.047 5.009 781 HB3 HIS 105 HB3 HIS 105 12.334 -1.609 5.355 782 HD2 HIS 105 HD2 HIS 105 15.644 -2.160 7.134 783 HE1 HIS 105 HE1 HIS 105 12.749 -1.689 10.157 784 H LEU 106 H LEU 106 10.353 -2.811 4.633 785 HA LEU 106 HA LEU 106 9.083 -3.775 7.047 786 HB2 LEU 106 HB2 LEU 106 8.671 -1.619 5.352 787 HB3 LEU 106 HB3 LEU 106 7.265 -2.636 5.105 788 HG LEU 106 HG LEU 106 6.992 -0.873 6.860 789 HD11 LEU 106 HD11 LEU 106 6.212 -2.620 8.649 790 HD12 LEU 106 HD12 LEU 106 6.572 -3.771 7.361 791 HD13 LEU 106 HD13 LEU 106 5.395 -2.485 7.093 792 HD21 LEU 106 HD21 LEU 106 9.464 -1.556 7.694 793 HD22 LEU 106 HD22 LEU 106 8.477 -2.474 8.832 794 HD23 LEU 106 HD23 LEU 106 8.278 -0.726 8.703 795 H ILE 107 H ILE 107 9.213 -4.829 3.715 796 HA ILE 107 HA ILE 107 6.802 -6.276 3.654 797 HB ILE 107 HB ILE 107 8.336 -5.746 1.683 798 HG12 ILE 107 HG12 ILE 107 7.367 -8.598 1.759 799 HG13 ILE 107 HG13 ILE 107 6.266 -7.224 1.697 800 HG21 ILE 107 HG21 ILE 107 10.360 -6.809 2.710 801 HG22 ILE 107 HG22 ILE 107 10.011 -7.323 1.058 802 HG23 ILE 107 HG23 ILE 107 9.607 -8.378 2.413 803 HD11 ILE 107 HD11 ILE 107 8.319 -7.038 -0.329 804 HD12 ILE 107 HD12 ILE 107 6.563 -6.982 -0.486 805 HD13 ILE 107 HD13 ILE 107 7.396 -8.537 -0.453 806 H THR 108 H THR 108 9.729 -6.905 5.317 807 HA THR 108 HA THR 108 9.483 -9.733 5.567 808 HB THR 108 HB THR 108 11.146 -9.548 7.361 809 HG1 THR 108 HG1 THR 108 11.239 -6.743 6.992 810 HG21 THR 108 HG21 THR 108 12.961 -8.531 6.059 811 HG22 THR 108 HG22 THR 108 11.776 -7.782 4.989 812 HG23 THR 108 HG23 THR 108 11.929 -9.538 5.046 813 H ASN 109 H ASN 109 7.702 -7.189 6.890 814 HA ASN 109 HA ASN 109 7.167 -8.224 9.485 815 HB2 ASN 109 HB2 ASN 109 6.776 -5.872 8.904 816 HB3 ASN 109 HB3 ASN 109 5.529 -6.351 7.759 817 HD21 ASN 109 HD21 ASN 109 6.399 -6.410 11.177 818 HD22 ASN 109 HD22 ASN 109 4.777 -6.390 11.768 819 H TYR 110 H TYR 110 5.882 -8.924 6.325 820 HA TYR 110 HA TYR 110 3.582 -10.348 7.384 821 HB2 TYR 110 HB2 TYR 110 3.349 -9.138 5.262 822 HB3 TYR 110 HB3 TYR 110 4.642 -10.098 4.555 823 HD1 TYR 110 HD1 TYR 110 1.138 -10.197 5.752 824 HD2 TYR 110 HD2 TYR 110 4.230 -12.288 3.701 825 HE1 TYR 110 HE1 TYR 110 -0.496 -11.857 4.983 826 HE2 TYR 110 HE2 TYR 110 2.593 -13.947 2.922 827 HH TYR 110 HH TYR 110 -0.190 -14.518 4.198 828 H GLY 111 H GLY 111 3.980 -12.250 8.346 829 HA2 GLY 111 HA2 GLY 111 5.546 -14.235 6.858 830 HA3 GLY 111 HA3 GLY 111 6.013 -13.886 8.517 831 H ALA 112 H ALA 112 2.660 -13.779 7.662 832 HA ALA 112 HA ALA 112 2.178 -16.506 8.541 833 HB1 ALA 112 HB1 ALA 112 1.158 -14.120 10.079 834 HB2 ALA 112 HB2 ALA 112 2.247 -15.380 10.663 835 HB3 ALA 112 HB3 ALA 112 0.567 -15.768 10.290 836 H VAL 113 H VAL 113 -0.078 -17.150 8.256 837 HA VAL 113 HA VAL 113 -1.535 -15.419 6.375 838 HB VAL 113 HB VAL 113 -2.287 -17.436 5.154 839 HG11 VAL 113 HG11 VAL 113 0.477 -16.470 5.233 840 HG12 VAL 113 HG12 VAL 113 -0.620 -16.663 3.867 841 HG13 VAL 113 HG13 VAL 113 0.283 -18.049 4.477 842 HG21 VAL 113 HG21 VAL 113 -0.135 -19.060 6.428 843 HG22 VAL 113 HG22 VAL 113 -1.617 -19.581 5.623 844 HG23 VAL 113 HG23 VAL 113 -1.686 -18.907 7.253 845 H LEU 114 H LEU 114 -3.851 -15.776 6.306 846 HA LEU 114 HA LEU 114 -4.883 -16.889 8.829 847 HB2 LEU 114 HB2 LEU 114 -5.983 -14.585 7.216 848 HB3 LEU 114 HB3 LEU 114 -6.698 -15.232 8.678 849 HG LEU 114 HG LEU 114 -3.993 -13.897 8.512 850 HD11 LEU 114 HD11 LEU 114 -6.713 -12.915 9.293 851 HD12 LEU 114 HD12 LEU 114 -5.521 -12.170 8.227 852 HD13 LEU 114 HD13 LEU 114 -5.254 -12.191 9.971 853 HD21 LEU 114 HD21 LEU 114 -4.296 -13.877 11.038 854 HD22 LEU 114 HD22 LEU 114 -3.897 -15.426 10.297 855 HD23 LEU 114 HD23 LEU 114 -5.557 -15.085 10.788 856 H SER 115 H SER 115 -6.687 -18.189 8.756 857 HA SER 115 HA SER 115 -7.541 -19.005 6.062 858 HB2 SER 115 HB2 SER 115 -7.660 -20.557 8.662 859 HB3 SER 115 HB3 SER 115 -8.177 -21.155 7.085 860 HG SER 115 HG SER 115 -5.612 -20.150 7.154 861 HA PRO 116 HA PRO 116 -11.411 -17.112 7.384 862 HB2 PRO 116 HB2 PRO 116 -12.558 -17.023 4.953 863 HB3 PRO 116 HB3 PRO 116 -11.275 -15.901 5.424 864 HG2 PRO 116 HG2 PRO 116 -11.110 -18.377 3.750 865 HG3 PRO 116 HG3 PRO 116 -10.325 -16.807 3.503 866 HD2 PRO 116 HD2 PRO 116 -9.070 -18.984 4.593 867 HD3 PRO 116 HD3 PRO 116 -8.607 -17.303 4.933 868 H SER 117 H SER 117 -11.432 -19.516 8.326 869 HA SER 117 HA SER 117 -13.317 -21.220 6.899 870 HB2 SER 117 HB2 SER 117 -11.887 -21.618 9.540 871 HB3 SER 117 HB3 SER 117 -12.904 -22.820 8.745 872 HG SER 117 HG SER 117 -11.439 -22.802 6.997 873 H GLU 118 H GLU 118 -13.542 -18.627 8.938 874 HA GLU 118 HA GLU 118 -15.664 -19.489 10.649 875 HB2 GLU 118 HB2 GLU 118 -14.725 -16.713 9.899 876 HB3 GLU 118 HB3 GLU 118 -15.931 -17.054 11.131 877 HG2 GLU 118 HG2 GLU 118 -14.106 -16.859 12.459 878 HG3 GLU 118 HG3 GLU 118 -13.992 -18.577 12.090 879 H LYS 119 H LYS 119 -17.856 -19.202 10.444 880 HA LYS 119 HA LYS 119 -18.807 -18.148 7.864 881 HB2 LYS 119 HB2 LYS 119 -19.803 -20.598 9.335 882 HB3 LYS 119 HB3 LYS 119 -20.593 -19.893 7.933 883 HG2 LYS 119 HG2 LYS 119 -18.602 -20.333 6.585 884 HG3 LYS 119 HG3 LYS 119 -17.810 -21.043 7.992 885 HD2 LYS 119 HD2 LYS 119 -19.536 -22.768 8.102 886 HD3 LYS 119 HD3 LYS 119 -20.352 -22.050 6.712 887 HE2 LYS 119 HE2 LYS 119 -19.037 -23.955 6.003 888 HE3 LYS 119 HE3 LYS 119 -18.350 -22.471 5.346 889 HZ1 LYS 119 HZ1 LYS 119 -16.795 -22.531 7.317 890 HZ2 LYS 119 HZ2 LYS 119 -16.547 -23.720 6.140 891 HZ3 LYS 119 HZ3 LYS 119 -17.328 -24.114 7.587 892 H SER 120 H SER 120 -20.798 -17.072 7.892 893 HA SER 120 HA SER 120 -21.912 -16.521 10.558 894 HB2 SER 120 HB2 SER 120 -21.467 -14.520 8.325 895 HB3 SER 120 HB3 SER 120 -22.304 -14.180 9.838 896 HG SER 120 HG SER 120 -19.880 -15.309 10.279 897 H TYR 121 H TYR 121 -24.147 -16.230 10.668 898 HA TYR 121 HA TYR 121 -25.632 -16.770 8.186 899 HB2 TYR 121 HB2 TYR 121 -26.183 -17.960 10.916 900 HB3 TYR 121 HB3 TYR 121 -27.218 -18.151 9.506 901 HD1 TYR 121 HD1 TYR 121 -24.199 -19.269 11.188 902 HD2 TYR 121 HD2 TYR 121 -26.428 -19.490 7.570 903 HE1 TYR 121 HE1 TYR 121 -22.907 -21.252 10.518 904 HE2 TYR 121 HE2 TYR 121 -25.143 -21.474 6.893 905 HH TYR 121 HH TYR 121 -23.679 -23.384 8.590 906 H GLN 122 H GLN 122 -27.623 -15.758 7.974 907 HA GLN 122 HA GLN 122 -27.926 -13.265 9.265 908 HB2 GLN 122 HB2 GLN 122 -29.815 -14.860 7.532 909 HB3 GLN 122 HB3 GLN 122 -30.166 -13.235 8.102 910 HG2 GLN 122 HG2 GLN 122 -27.832 -14.016 6.369 911 HG3 GLN 122 HG3 GLN 122 -29.314 -13.236 5.817 912 HE21 GLN 122 HE21 GLN 122 -26.273 -12.563 6.198 913 HE22 GLN 122 HE22 GLN 122 -26.333 -10.944 6.794 914 H GLU 123 H GLU 123 -29.495 -16.389 9.736 915 HA GLU 123 HA GLU 123 -30.670 -15.338 12.220 916 HB2 GLU 123 HB2 GLU 123 -31.944 -17.203 10.210 917 HB3 GLU 123 HB3 GLU 123 -32.565 -16.968 11.835 918 HG2 GLU 123 HG2 GLU 123 -33.008 -14.648 11.393 919 HG3 GLU 123 HG3 GLU 123 -32.234 -14.764 9.814 920 H GLY 124 H GLY 124 -30.695 -16.752 13.987 921 HA2 GLY 124 HA2 GLY 124 -29.918 -19.482 13.806 922 HA3 GLY 124 HA3 GLY 124 -28.557 -18.480 14.291 Start of MODEL 13 1 H1 SER 1 HT1 SER 1 25.870 -2.318 -14.098 2 H2 SER 1 HT2 SER 1 25.673 -3.792 -14.903 3 H3 SER 1 HT3 SER 1 24.328 -3.000 -14.247 4 HA SER 1 HA SER 1 25.960 -2.202 -16.581 5 HB2 SER 1 HB2 SER 1 23.058 -2.115 -16.816 6 HB3 SER 1 HB3 SER 1 24.239 -2.971 -17.811 7 HG SER 1 HG SER 1 24.082 -4.168 -15.434 8 H GLU 2 H GLU 2 24.520 -1.042 -13.807 9 HA GLU 2 HA GLU 2 23.971 1.007 -13.002 10 HB2 GLU 2 HB2 GLU 2 25.744 1.841 -15.296 11 HB3 GLU 2 HB3 GLU 2 25.106 2.974 -14.113 12 HG2 GLU 2 HG2 GLU 2 26.279 1.853 -12.334 13 HG3 GLU 2 HG3 GLU 2 26.823 0.595 -13.439 14 H PHE 3 H PHE 3 21.889 -0.015 -14.348 15 HA PHE 3 HA PHE 3 20.874 1.554 -16.460 16 HB2 PHE 3 HB2 PHE 3 19.585 -0.290 -14.465 17 HB3 PHE 3 HB3 PHE 3 18.608 0.633 -15.601 18 HD1 PHE 3 HD1 PHE 3 20.377 -2.369 -15.076 19 HD2 PHE 3 HD2 PHE 3 19.271 0.408 -18.105 20 HE1 PHE 3 HE1 PHE 3 20.727 -4.102 -16.788 21 HE2 PHE 3 HE2 PHE 3 19.619 -1.320 -19.823 22 HZ PHE 3 HZ PHE 3 20.347 -3.578 -19.165 23 H GLY 4 H GLY 4 20.560 1.833 -12.954 24 HA2 GLY 4 HA2 GLY 4 20.138 3.768 -11.726 25 HA3 GLY 4 HA3 GLY 4 19.838 4.622 -13.230 26 H SER 5 H SER 5 18.061 1.832 -13.291 27 HA SER 5 HA SER 5 15.577 3.131 -13.140 28 HB2 SER 5 HB2 SER 5 16.255 0.186 -12.963 29 HB3 SER 5 HB3 SER 5 14.622 0.824 -13.165 30 HG SER 5 HG SER 5 15.270 1.723 -15.136 31 H MET 6 H MET 6 17.358 1.224 -10.752 32 HA MET 6 HA MET 6 15.211 1.494 -8.813 33 HB2 MET 6 HB2 MET 6 16.520 -0.616 -9.003 34 HB3 MET 6 HB3 MET 6 17.956 0.259 -8.492 35 HG2 MET 6 HG2 MET 6 16.910 0.740 -6.345 36 HG3 MET 6 HG3 MET 6 15.457 -0.120 -6.854 37 HE1 MET 6 HE1 MET 6 19.075 -0.101 -6.325 38 HE2 MET 6 HE2 MET 6 19.532 -1.668 -6.995 39 HE3 MET 6 HE3 MET 6 19.345 -1.474 -5.252 40 H ALA 7 H ALA 7 15.319 3.848 -8.807 41 HA ALA 7 HA ALA 7 17.574 5.293 -7.931 42 HB1 ALA 7 HB1 ALA 7 15.873 6.506 -9.024 43 HB2 ALA 7 HB2 ALA 7 15.860 7.069 -7.352 44 HB3 ALA 7 HB3 ALA 7 14.635 5.926 -7.909 45 H GLY 8 H GLY 8 14.861 3.870 -6.168 46 HA2 GLY 8 HA2 GLY 8 14.959 3.045 -3.970 47 HA3 GLY 8 HA3 GLY 8 16.452 3.943 -3.726 48 H ASN 9 H ASN 9 14.506 3.948 -1.790 49 HA ASN 9 HA ASN 9 13.961 6.762 -1.564 50 HB2 ASN 9 HB2 ASN 9 11.993 5.722 -2.873 51 HB3 ASN 9 HB3 ASN 9 11.558 4.959 -1.346 52 HD21 ASN 9 HD21 ASN 9 9.633 6.099 -1.203 53 HD22 ASN 9 HD22 ASN 9 9.584 7.782 -0.822 54 H CYS 10 H CYS 10 13.435 7.379 0.593 55 HA CYS 10 HA CYS 10 13.781 5.214 2.564 56 HB2 CYS 10 HB2 CYS 10 14.874 8.033 2.697 57 HB3 CYS 10 HB3 CYS 10 14.979 6.850 3.995 58 HG CYS 10 HG CYS 10 16.205 5.371 1.402 59 H GLY 11 H GLY 11 12.584 5.326 4.457 60 HA2 GLY 11 HA2 GLY 11 11.086 7.504 5.361 61 HA3 GLY 11 HA3 GLY 11 10.053 6.557 4.300 62 H ALA 12 H ALA 12 9.089 6.685 6.710 63 HA ALA 12 HA ALA 12 9.328 3.989 7.707 64 HB1 ALA 12 HB1 ALA 12 11.149 5.148 8.912 65 HB2 ALA 12 HB2 ALA 12 9.880 4.572 9.992 66 HB3 ALA 12 HB3 ALA 12 9.967 6.281 9.566 67 H ARG 13 H ARG 13 7.551 3.397 9.061 68 HA ARG 13 HA ARG 13 5.386 5.394 9.073 69 HB2 ARG 13 HB2 ARG 13 4.904 3.572 7.518 70 HB3 ARG 13 HB3 ARG 13 5.163 2.388 8.791 71 HG2 ARG 13 HG2 ARG 13 2.801 2.699 8.424 72 HG3 ARG 13 HG3 ARG 13 3.240 3.315 10.018 73 HD2 ARG 13 HD2 ARG 13 3.308 5.596 9.099 74 HD3 ARG 13 HD3 ARG 13 2.830 4.967 7.524 75 HE ARG 13 HE ARG 13 1.145 5.324 9.854 76 HH11 ARG 13 HH11 ARG 13 -1.092 5.065 9.550 77 HH12 ARG 13 HH12 ARG 13 -1.682 4.358 8.084 78 HH21 ARG 13 HH21 ARG 13 1.495 3.910 6.686 79 HH22 ARG 13 HH22 ARG 13 -0.209 3.707 6.448 80 H GLY 14 H GLY 14 5.947 2.250 10.704 81 HA2 GLY 14 HA2 GLY 14 6.135 3.497 13.284 82 HA3 GLY 14 HA3 GLY 14 4.572 2.739 13.016 83 H ALA 15 H ALA 15 6.466 2.015 15.011 84 HA ALA 15 HA ALA 15 7.993 -0.250 14.312 85 HB1 ALA 15 HB1 ALA 15 8.111 -0.680 16.718 86 HB2 ALA 15 HB2 ALA 15 6.847 0.520 16.992 87 HB3 ALA 15 HB3 ALA 15 8.411 1.017 16.345 88 H LEU 16 H LEU 16 4.669 0.085 15.459 89 HA LEU 16 HA LEU 16 4.327 -2.826 15.206 90 HB2 LEU 16 HB2 LEU 16 2.599 -0.827 16.666 91 HB3 LEU 16 HB3 LEU 16 2.318 -2.555 16.593 92 HG LEU 16 HG LEU 16 4.701 -1.226 17.894 93 HD11 LEU 16 HD11 LEU 16 2.323 -2.603 19.136 94 HD12 LEU 16 HD12 LEU 16 2.590 -0.860 19.099 95 HD13 LEU 16 HD13 LEU 16 3.697 -1.902 19.992 96 HD21 LEU 16 HD21 LEU 16 4.988 -3.568 18.843 97 HD22 LEU 16 HD22 LEU 16 5.424 -3.338 17.150 98 HD23 LEU 16 HD23 LEU 16 3.891 -4.103 17.571 99 H SER 17 H SER 17 2.557 -3.672 14.068 100 HA SER 17 HA SER 17 1.754 -2.080 11.806 101 HB2 SER 17 HB2 SER 17 0.455 -4.300 11.326 102 HB3 SER 17 HB3 SER 17 2.216 -4.275 11.207 103 HG SER 17 HG SER 17 0.601 -5.648 12.928 104 H ALA 18 H ALA 18 0.167 -0.647 12.024 105 HA ALA 18 HA ALA 18 -2.039 -1.111 13.864 106 HB1 ALA 18 HB1 ALA 18 -1.545 1.270 12.079 107 HB2 ALA 18 HB2 ALA 18 -0.922 1.104 13.721 108 HB3 ALA 18 HB3 ALA 18 -2.662 1.173 13.440 109 H HIS 19 H HIS 19 -1.341 -1.758 10.672 110 HA HIS 19 HA HIS 19 -4.144 -1.644 9.820 111 HB2 HIS 19 HB2 HIS 19 -1.593 -1.864 8.221 112 HB3 HIS 19 HB3 HIS 19 -3.193 -2.052 7.515 113 HD2 HIS 19 HD2 HIS 19 -0.685 0.663 8.198 114 HE1 HIS 19 HE1 HIS 19 -4.357 2.652 7.643 115 H THR 20 H THR 20 -2.822 -3.750 11.559 116 HA THR 20 HA THR 20 -2.561 -6.123 10.032 117 HB THR 20 HB THR 20 -3.307 -5.918 12.958 118 HG1 THR 20 HG1 THR 20 -1.402 -4.950 13.035 119 HG21 THR 20 HG21 THR 20 -2.338 -8.096 13.181 120 HG22 THR 20 HG22 THR 20 -1.768 -8.075 11.514 121 HG23 THR 20 HG23 THR 20 -3.496 -8.165 11.852 122 H LEU 21 H LEU 21 -4.134 -7.067 8.910 123 HA LEU 21 HA LEU 21 -6.556 -7.941 10.134 124 HB2 LEU 21 HB2 LEU 21 -6.631 -5.416 8.843 125 HB3 LEU 21 HB3 LEU 21 -7.469 -6.551 7.802 126 HG LEU 21 HG LEU 21 -8.294 -6.841 10.573 127 HD11 LEU 21 HD11 LEU 21 -9.589 -4.686 10.582 128 HD12 LEU 21 HD12 LEU 21 -8.537 -4.137 9.277 129 HD13 LEU 21 HD13 LEU 21 -7.853 -4.532 10.855 130 HD21 LEU 21 HD21 LEU 21 -9.650 -6.309 7.942 131 HD22 LEU 21 HD22 LEU 21 -10.533 -6.434 9.462 132 HD23 LEU 21 HD23 LEU 21 -9.608 -7.811 8.867 133 H LEU 22 H LEU 22 -8.003 -8.998 8.290 134 HA LEU 22 HA LEU 22 -6.222 -10.784 6.899 135 HB2 LEU 22 HB2 LEU 22 -9.030 -10.748 7.665 136 HB3 LEU 22 HB3 LEU 22 -8.779 -11.406 6.061 137 HG LEU 22 HG LEU 22 -7.135 -13.014 7.029 138 HD11 LEU 22 HD11 LEU 22 -8.162 -12.612 9.752 139 HD12 LEU 22 HD12 LEU 22 -7.059 -11.365 9.172 140 HD13 LEU 22 HD13 LEU 22 -6.548 -13.053 9.197 141 HD21 LEU 22 HD21 LEU 22 -8.752 -14.538 7.619 142 HD22 LEU 22 HD22 LEU 22 -9.709 -13.341 6.747 143 HD23 LEU 22 HD23 LEU 22 -9.704 -13.351 8.509 144 H PHE 23 H PHE 23 -8.941 -8.730 5.747 145 HA PHE 23 HA PHE 23 -8.222 -9.098 3.005 146 HB2 PHE 23 HB2 PHE 23 -10.127 -7.204 4.381 147 HB3 PHE 23 HB3 PHE 23 -9.871 -7.185 2.637 148 HD1 PHE 23 HD1 PHE 23 -11.377 -8.953 5.436 149 HD2 PHE 23 HD2 PHE 23 -10.563 -9.084 1.259 150 HE1 PHE 23 HE1 PHE 23 -13.030 -10.756 5.174 151 HE2 PHE 23 HE2 PHE 23 -12.217 -10.884 0.989 152 HZ PHE 23 HZ PHE 23 -13.453 -11.723 2.948 153 H ASP 24 H ASP 24 -7.619 -6.673 5.413 154 HA ASP 24 HA ASP 24 -5.856 -5.247 3.552 155 HB2 ASP 24 HB2 ASP 24 -5.988 -3.370 5.325 156 HB3 ASP 24 HB3 ASP 24 -7.351 -3.586 4.233 157 H LEU 25 H LEU 25 -4.446 -7.069 4.044 158 HA LEU 25 HA LEU 25 -3.335 -7.810 6.421 159 HB2 LEU 25 HB2 LEU 25 -1.965 -7.445 3.759 160 HB3 LEU 25 HB3 LEU 25 -1.268 -8.319 5.110 161 HG LEU 25 HG LEU 25 -3.855 -9.086 3.752 162 HD11 LEU 25 HD11 LEU 25 -2.342 -9.557 2.099 163 HD12 LEU 25 HD12 LEU 25 -2.290 -11.053 3.029 164 HD13 LEU 25 HD13 LEU 25 -1.021 -9.845 3.230 165 HD21 LEU 25 HD21 LEU 25 -3.791 -9.877 6.012 166 HD22 LEU 25 HD22 LEU 25 -2.132 -10.450 5.819 167 HD23 LEU 25 HD23 LEU 25 -3.445 -11.237 4.944 168 HA PRO 26 HA PRO 26 -0.952 -4.806 8.616 169 HB2 PRO 26 HB2 PRO 26 1.604 -6.025 8.024 170 HB3 PRO 26 HB3 PRO 26 0.703 -6.026 9.538 171 HG2 PRO 26 HG2 PRO 26 0.843 -8.082 7.447 172 HG3 PRO 26 HG3 PRO 26 0.357 -8.235 9.143 173 HD2 PRO 26 HD2 PRO 26 -1.414 -8.430 7.125 174 HD3 PRO 26 HD3 PRO 26 -1.848 -7.700 8.686 175 HA PRO 27 HA PRO 27 0.659 -1.531 6.201 176 HB2 PRO 27 HB2 PRO 27 3.099 -1.663 7.913 177 HB3 PRO 27 HB3 PRO 27 2.106 -0.267 7.465 178 HG2 PRO 27 HG2 PRO 27 1.859 -1.369 9.855 179 HG3 PRO 27 HG3 PRO 27 0.429 -0.817 8.971 180 HD2 PRO 27 HD2 PRO 27 1.420 -3.592 9.424 181 HD3 PRO 27 HD3 PRO 27 -0.242 -2.991 9.297 182 H ALA 28 H ALA 28 2.379 -4.476 6.306 183 HA ALA 28 HA ALA 28 4.709 -3.915 4.905 184 HB1 ALA 28 HB1 ALA 28 3.039 -6.285 5.378 185 HB2 ALA 28 HB2 ALA 28 4.789 -6.088 5.483 186 HB3 ALA 28 HB3 ALA 28 4.022 -6.354 3.916 187 H LEU 29 H LEU 29 1.383 -4.324 3.721 188 HA LEU 29 HA LEU 29 2.392 -3.744 1.018 189 HB2 LEU 29 HB2 LEU 29 0.764 -5.766 1.764 190 HB3 LEU 29 HB3 LEU 29 -0.427 -4.552 1.317 191 HG LEU 29 HG LEU 29 0.541 -4.367 -0.904 192 HD11 LEU 29 HD11 LEU 29 2.686 -4.871 -1.189 193 HD12 LEU 29 HD12 LEU 29 2.250 -6.575 -1.073 194 HD13 LEU 29 HD13 LEU 29 2.753 -5.697 0.369 195 HD21 LEU 29 HD21 LEU 29 0.391 -7.130 -1.210 196 HD22 LEU 29 HD22 LEU 29 -0.927 -5.968 -1.361 197 HD23 LEU 29 HD23 LEU 29 -0.631 -6.770 0.183 198 H LEU 30 H LEU 30 -0.833 -3.171 2.413 199 HA LEU 30 HA LEU 30 -1.298 -0.835 0.931 200 HB2 LEU 30 HB2 LEU 30 -3.068 -2.262 1.915 201 HB3 LEU 30 HB3 LEU 30 -2.587 -1.741 3.515 202 HG LEU 30 HG LEU 30 -3.211 0.596 2.864 203 HD11 LEU 30 HD11 LEU 30 -3.734 -0.764 0.325 204 HD12 LEU 30 HD12 LEU 30 -3.368 0.929 0.659 205 HD13 LEU 30 HD13 LEU 30 -5.013 0.326 0.864 206 HD21 LEU 30 HD21 LEU 30 -4.930 -0.102 4.114 207 HD22 LEU 30 HD22 LEU 30 -4.986 -1.675 3.319 208 HD23 LEU 30 HD23 LEU 30 -5.787 -0.286 2.585 209 H GLY 31 H GLY 31 -0.307 -1.156 4.357 210 HA2 GLY 31 HA2 GLY 31 -0.435 1.592 4.957 211 HA3 GLY 31 HA3 GLY 31 0.498 0.402 5.840 212 H GLU 32 H GLU 32 2.449 -0.346 4.140 213 HA GLU 32 HA GLU 32 4.196 1.900 4.229 214 HB2 GLU 32 HB2 GLU 32 4.822 -0.499 4.640 215 HB3 GLU 32 HB3 GLU 32 4.716 -0.753 2.902 216 HG2 GLU 32 HG2 GLU 32 6.989 -0.424 3.346 217 HG3 GLU 32 HG3 GLU 32 6.427 1.101 2.666 218 H LEU 33 H LEU 33 2.698 0.120 1.515 219 HA LEU 33 HA LEU 33 4.158 1.513 -0.459 220 HB2 LEU 33 HB2 LEU 33 1.526 0.042 -0.674 221 HB3 LEU 33 HB3 LEU 33 2.386 0.747 -2.043 222 HG LEU 33 HG LEU 33 3.533 -1.387 -0.241 223 HD11 LEU 33 HD11 LEU 33 1.641 -2.257 -1.491 224 HD12 LEU 33 HD12 LEU 33 3.154 -2.908 -2.117 225 HD13 LEU 33 HD13 LEU 33 2.318 -1.624 -2.988 226 HD21 LEU 33 HD21 LEU 33 4.931 -1.498 -2.541 227 HD22 LEU 33 HD22 LEU 33 5.427 -0.553 -1.137 228 HD23 LEU 33 HD23 LEU 33 4.581 0.228 -2.471 229 H CYS 34 H CYS 34 0.982 2.216 1.017 230 HA CYS 34 HA CYS 34 0.458 4.328 -0.814 231 HB2 CYS 34 HB2 CYS 34 -0.735 3.954 1.938 232 HB3 CYS 34 HB3 CYS 34 -1.323 5.029 0.686 233 HG CYS 34 HG CYS 34 -1.630 1.679 0.915 234 H ALA 35 H ALA 35 1.825 4.238 2.468 235 HA ALA 35 HA ALA 35 2.018 7.078 2.697 236 HB1 ALA 35 HB1 ALA 35 2.629 4.769 4.338 237 HB2 ALA 35 HB2 ALA 35 2.106 6.387 4.803 238 HB3 ALA 35 HB3 ALA 35 3.815 6.062 4.514 239 H VAL 36 H VAL 36 4.502 4.574 2.085 240 HA VAL 36 HA VAL 36 6.621 6.452 1.922 241 HB VAL 36 HB VAL 36 6.452 3.556 1.088 242 HG11 VAL 36 HG11 VAL 36 9.140 4.589 1.392 243 HG12 VAL 36 HG12 VAL 36 8.288 5.400 0.076 244 HG13 VAL 36 HG13 VAL 36 8.444 3.642 0.076 245 HG21 VAL 36 HG21 VAL 36 6.373 4.168 3.500 246 HG22 VAL 36 HG22 VAL 36 7.963 4.908 3.319 247 HG23 VAL 36 HG23 VAL 36 7.762 3.177 3.056 248 H LEU 37 H LEU 37 4.684 4.874 -0.622 249 HA LEU 37 HA LEU 37 6.222 6.153 -2.689 250 HB2 LEU 37 HB2 LEU 37 3.614 4.672 -2.883 251 HB3 LEU 37 HB3 LEU 37 4.557 5.222 -4.248 252 HG LEU 37 HG LEU 37 5.373 3.119 -2.238 253 HD11 LEU 37 HD11 LEU 37 3.735 2.248 -3.710 254 HD12 LEU 37 HD12 LEU 37 5.302 1.663 -4.266 255 HD13 LEU 37 HD13 LEU 37 4.507 2.990 -5.112 256 HD21 LEU 37 HD21 LEU 37 6.839 4.350 -4.566 257 HD22 LEU 37 HD22 LEU 37 7.275 2.787 -3.877 258 HD23 LEU 37 HD23 LEU 37 7.362 4.244 -2.886 259 H ASP 38 H ASP 38 3.606 7.103 -0.726 260 HA ASP 38 HA ASP 38 2.175 8.827 -2.395 261 HB2 ASP 38 HB2 ASP 38 1.450 8.271 -0.110 262 HB3 ASP 38 HB3 ASP 38 2.818 9.164 0.549 263 H SER 39 H SER 39 5.161 9.310 -0.608 264 HA SER 39 HA SER 39 5.371 12.076 -1.506 265 HB2 SER 39 HB2 SER 39 7.199 10.416 0.250 266 HB3 SER 39 HB3 SER 39 7.407 12.132 -0.098 267 HG SER 39 HG SER 39 4.900 11.582 0.784 268 H CYS 40 H CYS 40 5.759 9.373 -3.093 269 HA CYS 40 HA CYS 40 8.451 9.429 -3.998 270 HB2 CYS 40 HB2 CYS 40 6.918 7.455 -4.172 271 HB3 CYS 40 HB3 CYS 40 6.059 8.297 -5.464 272 HG CYS 40 HG CYS 40 8.948 6.630 -5.546 273 H ASP 41 H ASP 41 9.349 10.280 -5.822 274 HA ASP 41 HA ASP 41 7.722 12.042 -7.492 275 HB2 ASP 41 HB2 ASP 41 8.918 13.302 -5.573 276 HB3 ASP 41 HB3 ASP 41 10.395 12.986 -6.480 277 H GLY 42 H GLY 42 8.310 9.749 -8.490 278 HA2 GLY 42 HA2 GLY 42 9.146 9.091 -10.589 279 HA3 GLY 42 HA3 GLY 42 10.379 10.332 -10.464 280 H ALA 43 H ALA 43 10.698 9.048 -7.561 281 HA ALA 43 HA ALA 43 13.027 7.583 -8.168 282 HB1 ALA 43 HB1 ALA 43 11.392 7.527 -5.633 283 HB2 ALA 43 HB2 ALA 43 12.675 8.676 -6.008 284 HB3 ALA 43 HB3 ALA 43 13.054 6.967 -5.806 285 H LEU 44 H LEU 44 9.764 6.542 -7.320 286 HA LEU 44 HA LEU 44 10.386 3.870 -8.399 287 HB2 LEU 44 HB2 LEU 44 8.772 4.602 -5.951 288 HB3 LEU 44 HB3 LEU 44 8.456 3.120 -6.827 289 HG LEU 44 HG LEU 44 9.855 2.366 -5.162 290 HD11 LEU 44 HD11 LEU 44 10.763 1.886 -7.467 291 HD12 LEU 44 HD12 LEU 44 11.906 1.737 -6.133 292 HD13 LEU 44 HD13 LEU 44 11.942 3.163 -7.169 293 HD21 LEU 44 HD21 LEU 44 11.919 3.626 -4.460 294 HD22 LEU 44 HD22 LEU 44 10.380 4.386 -4.056 295 HD23 LEU 44 HD23 LEU 44 11.323 4.976 -5.426 296 H GLY 45 H GLY 45 8.144 6.491 -7.982 297 HA2 GLY 45 HA2 GLY 45 6.605 7.250 -9.575 298 HA3 GLY 45 HA3 GLY 45 6.703 5.689 -10.378 299 H TRP 46 H TRP 46 4.765 7.640 -8.466 300 HA TRP 46 HA TRP 46 3.495 5.868 -6.743 301 HB2 TRP 46 HB2 TRP 46 1.416 7.333 -7.120 302 HB3 TRP 46 HB3 TRP 46 2.885 8.129 -6.521 303 HD1 TRP 46 HD1 TRP 46 0.672 7.880 -9.649 304 HE1 TRP 46 HE1 TRP 46 1.184 9.883 -11.181 305 HE3 TRP 46 HE3 TRP 46 4.674 9.824 -7.131 306 HZ2 TRP 46 HZ2 TRP 46 3.034 12.006 -11.303 307 HZ3 TRP 46 HZ3 TRP 46 5.753 11.845 -8.021 308 HH2 TRP 46 HH2 TRP 46 4.951 12.914 -10.066 309 H ARG 47 H ARG 47 2.765 6.489 -10.165 310 HA ARG 47 HA ARG 47 0.815 4.359 -10.245 311 HB2 ARG 47 HB2 ARG 47 0.649 4.852 -12.651 312 HB3 ARG 47 HB3 ARG 47 0.398 6.276 -11.665 313 HG2 ARG 47 HG2 ARG 47 2.809 6.862 -12.099 314 HG3 ARG 47 HG3 ARG 47 2.830 5.545 -13.270 315 HD2 ARG 47 HD2 ARG 47 1.071 6.606 -14.546 316 HD3 ARG 47 HD3 ARG 47 0.930 7.886 -13.342 317 HE ARG 47 HE ARG 47 2.833 8.876 -14.191 318 HH11 ARG 47 HH11 ARG 47 4.400 9.221 -15.805 319 HH12 ARG 47 HH12 ARG 47 4.728 7.974 -16.960 320 HH21 ARG 47 HH21 ARG 47 2.395 5.732 -15.628 321 HH22 ARG 47 HH22 ARG 47 3.588 5.984 -16.860 322 H GLY 48 H GLY 48 4.085 4.261 -10.112 323 HA2 GLY 48 HA2 GLY 48 4.856 2.698 -12.305 324 HA3 GLY 48 HA3 GLY 48 5.654 2.706 -10.740 325 H LEU 49 H LEU 49 3.751 1.603 -9.088 326 HA LEU 49 HA LEU 49 3.946 -1.151 -9.801 327 HB2 LEU 49 HB2 LEU 49 2.435 0.185 -7.556 328 HB3 LEU 49 HB3 LEU 49 2.677 -1.544 -7.710 329 HG LEU 49 HG LEU 49 4.863 0.512 -7.314 330 HD11 LEU 49 HD11 LEU 49 3.751 -1.568 -5.434 331 HD12 LEU 49 HD12 LEU 49 3.463 0.169 -5.335 332 HD13 LEU 49 HD13 LEU 49 5.090 -0.468 -5.107 333 HD21 LEU 49 HD21 LEU 49 6.275 -1.520 -6.939 334 HD22 LEU 49 HD22 LEU 49 5.738 -1.300 -8.604 335 HD23 LEU 49 HD23 LEU 49 4.948 -2.492 -7.575 336 H ALA 50 H ALA 50 1.278 1.170 -9.637 337 HA ALA 50 HA ALA 50 -0.805 -0.631 -10.250 338 HB1 ALA 50 HB1 ALA 50 -0.672 2.336 -10.730 339 HB2 ALA 50 HB2 ALA 50 -1.215 1.546 -9.250 340 HB3 ALA 50 HB3 ALA 50 -2.133 1.352 -10.742 341 H GLU 51 H GLU 51 1.235 1.365 -12.308 342 HA GLU 51 HA GLU 51 -0.166 1.118 -14.697 343 HB2 GLU 51 HB2 GLU 51 1.645 2.747 -14.337 344 HB3 GLU 51 HB3 GLU 51 2.817 1.436 -14.293 345 HG2 GLU 51 HG2 GLU 51 2.312 0.887 -16.616 346 HG3 GLU 51 HG3 GLU 51 1.115 2.180 -16.666 347 H ARG 52 H ARG 52 2.445 -0.878 -13.337 348 HA ARG 52 HA ARG 52 2.707 -2.633 -15.537 349 HB2 ARG 52 HB2 ARG 52 3.422 -2.936 -12.622 350 HB3 ARG 52 HB3 ARG 52 3.789 -4.163 -13.823 351 HG2 ARG 52 HG2 ARG 52 5.169 -2.566 -15.046 352 HG3 ARG 52 HG3 ARG 52 4.793 -1.324 -13.848 353 HD2 ARG 52 HD2 ARG 52 5.829 -2.686 -12.105 354 HD3 ARG 52 HD3 ARG 52 6.195 -3.938 -13.291 355 HE ARG 52 HE ARG 52 7.587 -1.436 -12.901 356 HH11 ARG 52 HH11 ARG 52 9.523 -1.140 -14.066 357 HH12 ARG 52 HH12 ARG 52 9.901 -2.202 -15.380 358 HH21 ARG 52 HH21 ARG 52 6.991 -4.119 -15.046 359 HH22 ARG 52 HH22 ARG 52 8.460 -3.902 -15.938 360 H LEU 53 H LEU 53 0.729 -2.784 -12.611 361 HA LEU 53 HA LEU 53 -0.218 -5.438 -13.124 362 HB2 LEU 53 HB2 LEU 53 -0.062 -4.146 -10.878 363 HB3 LEU 53 HB3 LEU 53 -1.620 -3.481 -11.341 364 HG LEU 53 HG LEU 53 -1.489 -6.406 -11.528 365 HD11 LEU 53 HD11 LEU 53 -1.054 -5.018 -8.896 366 HD12 LEU 53 HD12 LEU 53 -0.086 -6.299 -9.627 367 HD13 LEU 53 HD13 LEU 53 -1.709 -6.649 -9.034 368 HD21 LEU 53 HD21 LEU 53 -3.396 -4.870 -9.832 369 HD22 LEU 53 HD22 LEU 53 -3.674 -6.282 -10.851 370 HD23 LEU 53 HD23 LEU 53 -3.480 -4.691 -11.585 371 H SER 54 H SER 54 -1.508 -2.197 -13.688 372 HA SER 54 HA SER 54 -3.971 -3.303 -14.793 373 HB2 SER 54 HB2 SER 54 -3.246 -0.380 -14.685 374 HB3 SER 54 HB3 SER 54 -4.851 -1.112 -14.710 375 HG SER 54 HG SER 54 -2.976 -1.049 -12.592 376 H SER 55 H SER 55 -4.637 -1.533 -16.742 377 HA SER 55 HA SER 55 -2.482 -1.643 -18.724 378 HB2 SER 55 HB2 SER 55 -4.049 -2.493 -20.425 379 HB3 SER 55 HB3 SER 55 -3.898 -3.627 -19.084 380 HG SER 55 HG SER 55 -5.910 -1.745 -18.831 381 H SER 56 H SER 56 -2.781 -0.180 -20.511 382 HA SER 56 HA SER 56 -3.322 1.776 -21.520 383 HB2 SER 56 HB2 SER 56 -5.704 0.930 -21.241 384 HB3 SER 56 HB3 SER 56 -5.798 1.938 -19.799 385 HG SER 56 HG SER 56 -6.435 2.772 -22.063 386 H TRP 57 H TRP 57 -3.568 4.152 -21.069 387 HA TRP 57 HA TRP 57 -2.362 4.749 -18.453 388 HB2 TRP 57 HB2 TRP 57 -2.007 6.140 -21.113 389 HB3 TRP 57 HB3 TRP 57 -1.405 6.781 -19.587 390 HD1 TRP 57 HD1 TRP 57 0.710 5.577 -18.491 391 HE1 TRP 57 HE1 TRP 57 2.470 3.957 -19.450 392 HE3 TRP 57 HE3 TRP 57 -1.697 4.215 -22.794 393 HZ2 TRP 57 HZ2 TRP 57 2.794 2.329 -21.732 394 HZ3 TRP 57 HZ3 TRP 57 -0.591 2.624 -24.311 395 HH2 TRP 57 HH2 TRP 57 1.608 1.702 -23.791 396 H LEU 58 H LEU 58 -5.271 4.848 -19.744 397 HA LEU 58 HA LEU 58 -6.083 7.557 -19.378 398 HB2 LEU 58 HB2 LEU 58 -7.683 4.998 -19.448 399 HB3 LEU 58 HB3 LEU 58 -8.395 6.598 -19.386 400 HG LEU 58 HG LEU 58 -6.622 5.604 -21.619 401 HD11 LEU 58 HD11 LEU 58 -9.604 6.003 -21.668 402 HD12 LEU 58 HD12 LEU 58 -8.832 4.439 -21.407 403 HD13 LEU 58 HD13 LEU 58 -8.583 5.303 -22.924 404 HD21 LEU 58 HD21 LEU 58 -7.892 7.644 -22.703 405 HD22 LEU 58 HD22 LEU 58 -6.413 7.878 -21.773 406 HD23 LEU 58 HD23 LEU 58 -7.982 8.185 -21.027 407 H ASP 59 H ASP 59 -5.735 4.827 -17.291 408 HA ASP 59 HA ASP 59 -7.416 5.612 -15.171 409 HB2 ASP 59 HB2 ASP 59 -5.052 3.752 -15.300 410 HB3 ASP 59 HB3 ASP 59 -5.947 4.031 -13.811 411 H VAL 60 H VAL 60 -4.312 6.802 -16.095 412 HA VAL 60 HA VAL 60 -3.283 7.529 -13.587 413 HB VAL 60 HB VAL 60 -1.805 9.044 -14.704 414 HG11 VAL 60 HG11 VAL 60 -1.880 7.024 -16.825 415 HG12 VAL 60 HG12 VAL 60 -1.929 6.373 -15.185 416 HG13 VAL 60 HG13 VAL 60 -0.601 7.423 -15.678 417 HG21 VAL 60 HG21 VAL 60 -3.209 8.648 -17.322 418 HG22 VAL 60 HG22 VAL 60 -2.043 9.889 -16.855 419 HG23 VAL 60 HG23 VAL 60 -3.690 9.943 -16.223 420 H ASP 61 H ASP 61 -5.889 8.902 -15.361 421 HA ASP 61 HA ASP 61 -5.787 11.566 -14.483 422 HB2 ASP 61 HB2 ASP 61 -7.282 10.772 -16.273 423 HB3 ASP 61 HB3 ASP 61 -8.226 9.875 -15.088 424 H HIS 62 H HIS 62 -7.439 8.754 -13.040 425 HA HIS 62 HA HIS 62 -8.317 10.209 -10.753 426 HB2 HIS 62 HB2 HIS 62 -9.241 7.975 -11.791 427 HB3 HIS 62 HB3 HIS 62 -8.061 7.227 -10.720 428 HD2 HIS 62 HD2 HIS 62 -8.744 7.152 -8.069 429 HE1 HIS 62 HE1 HIS 62 -12.387 9.245 -8.383 430 H ILE 63 H ILE 63 -5.455 8.425 -11.593 431 HA ILE 63 HA ILE 63 -4.403 7.882 -9.050 432 HB ILE 63 HB ILE 63 -3.016 8.416 -11.680 433 HG12 ILE 63 HG12 ILE 63 -3.346 5.846 -10.117 434 HG13 ILE 63 HG13 ILE 63 -4.430 6.349 -11.413 435 HG21 ILE 63 HG21 ILE 63 -1.864 8.388 -9.063 436 HG22 ILE 63 HG22 ILE 63 -1.077 8.614 -10.625 437 HG23 ILE 63 HG23 ILE 63 -1.296 6.989 -9.976 438 HD11 ILE 63 HD11 ILE 63 -2.018 4.908 -11.607 439 HD12 ILE 63 HD12 ILE 63 -1.759 6.474 -12.374 440 HD13 ILE 63 HD13 ILE 63 -3.086 5.439 -12.905 441 H GLU 64 H GLU 64 -4.153 10.761 -11.098 442 HA GLU 64 HA GLU 64 -2.414 12.205 -9.389 443 HB2 GLU 64 HB2 GLU 64 -4.373 13.120 -11.499 444 HB3 GLU 64 HB3 GLU 64 -3.271 14.206 -10.663 445 HG2 GLU 64 HG2 GLU 64 -2.483 11.874 -12.401 446 HG3 GLU 64 HG3 GLU 64 -2.406 13.576 -12.845 447 H LYS 65 H LYS 65 -5.895 11.835 -9.514 448 HA LYS 65 HA LYS 65 -6.670 14.011 -7.929 449 HB2 LYS 65 HB2 LYS 65 -7.963 11.357 -8.498 450 HB3 LYS 65 HB3 LYS 65 -8.757 12.624 -7.570 451 HG2 LYS 65 HG2 LYS 65 -8.636 14.128 -9.471 452 HG3 LYS 65 HG3 LYS 65 -7.770 12.903 -10.403 453 HD2 LYS 65 HD2 LYS 65 -9.701 11.423 -10.272 454 HD3 LYS 65 HD3 LYS 65 -10.563 12.609 -9.306 455 HE2 LYS 65 HE2 LYS 65 -10.478 14.194 -11.163 456 HE3 LYS 65 HE3 LYS 65 -9.596 13.011 -12.130 457 HZ1 LYS 65 HZ1 LYS 65 -12.385 13.263 -11.746 458 HZ2 LYS 65 HZ2 LYS 65 -11.877 11.736 -11.224 459 HZ3 LYS 65 HZ3 LYS 65 -11.544 12.244 -12.803 460 H GLU 66 H GLU 66 -6.132 10.595 -6.838 461 HA GLU 66 HA GLU 66 -6.637 11.510 -4.117 462 HB2 GLU 66 HB2 GLU 66 -5.841 8.672 -4.669 463 HB3 GLU 66 HB3 GLU 66 -6.868 9.331 -3.410 464 HG2 GLU 66 HG2 GLU 66 -8.531 9.914 -5.223 465 HG3 GLU 66 HG3 GLU 66 -7.560 8.910 -6.297 466 H VAL 67 H VAL 67 -3.909 11.467 -6.000 467 HA VAL 67 HA VAL 67 -1.942 10.404 -4.361 468 HB VAL 67 HB VAL 67 -1.676 11.359 -6.720 469 HG11 VAL 67 HG11 VAL 67 -0.619 13.698 -6.640 470 HG12 VAL 67 HG12 VAL 67 -1.475 13.877 -5.109 471 HG13 VAL 67 HG13 VAL 67 -2.379 13.573 -6.595 472 HG21 VAL 67 HG21 VAL 67 0.754 12.117 -6.114 473 HG22 VAL 67 HG22 VAL 67 0.252 10.443 -5.877 474 HG23 VAL 67 HG23 VAL 67 0.310 11.550 -4.503 475 H ASP 68 H ASP 68 -3.709 13.395 -3.983 476 HA ASP 68 HA ASP 68 -1.935 14.349 -1.881 477 HB2 ASP 68 HB2 ASP 68 -4.465 15.472 -3.088 478 HB3 ASP 68 HB3 ASP 68 -3.667 16.203 -1.700 479 H GLN 69 H GLN 69 -4.346 12.111 -2.061 480 HA GLN 69 HA GLN 69 -5.388 12.668 0.634 481 HB2 GLN 69 HB2 GLN 69 -6.488 10.853 -1.517 482 HB3 GLN 69 HB3 GLN 69 -7.213 11.113 0.061 483 HG2 GLN 69 HG2 GLN 69 -6.839 13.200 -2.078 484 HG3 GLN 69 HG3 GLN 69 -8.351 12.393 -1.668 485 HE21 GLN 69 HE21 GLN 69 -8.735 12.522 0.849 486 HE22 GLN 69 HE22 GLN 69 -8.619 14.120 1.494 487 H GLY 70 H GLY 70 -2.774 11.324 -0.128 488 HA2 GLY 70 HA2 GLY 70 -1.672 9.800 1.367 489 HA3 GLY 70 HA3 GLY 70 -3.182 8.927 1.555 490 H LYS 71 H LYS 71 -2.608 9.778 -1.654 491 HA LYS 71 HA LYS 71 -1.223 8.791 -3.314 492 HB2 LYS 71 HB2 LYS 71 0.119 7.289 -2.154 493 HB3 LYS 71 HB3 LYS 71 -1.262 6.481 -1.424 494 HG2 LYS 71 HG2 LYS 71 -0.722 4.882 -2.909 495 HG3 LYS 71 HG3 LYS 71 -1.724 5.862 -3.979 496 HD2 LYS 71 HD2 LYS 71 0.174 5.571 -5.274 497 HD3 LYS 71 HD3 LYS 71 0.532 7.099 -4.463 498 HE2 LYS 71 HE2 LYS 71 2.412 5.532 -4.442 499 HE3 LYS 71 HE3 LYS 71 1.864 5.966 -2.831 500 HZ1 LYS 71 HZ1 LYS 71 1.756 3.398 -4.205 501 HZ2 LYS 71 HZ2 LYS 71 0.439 3.783 -3.215 502 HZ3 LYS 71 HZ3 LYS 71 2.000 3.744 -2.561 503 H SER 72 H SER 72 -1.904 7.791 -5.165 504 HA SER 72 HA SER 72 -4.532 6.480 -5.127 505 HB2 SER 72 HB2 SER 72 -4.533 8.949 -5.873 506 HB3 SER 72 HB3 SER 72 -3.762 8.355 -7.335 507 HG SER 72 HG SER 72 -5.557 6.977 -7.644 508 H GLY 73 H GLY 73 -1.312 6.693 -6.361 509 HA2 GLY 73 HA2 GLY 73 -1.582 5.191 -8.713 510 HA3 GLY 73 HA3 GLY 73 -0.123 5.271 -7.724 511 H THR 74 H THR 74 -0.276 3.912 -5.649 512 HA THR 74 HA THR 74 -1.115 1.260 -6.450 513 HB THR 74 HB THR 74 0.254 1.986 -3.858 514 HG1 THR 74 HG1 THR 74 1.198 2.282 -6.354 515 HG21 THR 74 HG21 THR 74 0.905 -0.502 -5.280 516 HG22 THR 74 HG22 THR 74 -0.761 -0.400 -4.708 517 HG23 THR 74 HG23 THR 74 0.575 -0.228 -3.570 518 H ARG 75 H ARG 75 -1.991 3.736 -4.123 519 HA ARG 75 HA ARG 75 -3.520 2.160 -2.372 520 HB2 ARG 75 HB2 ARG 75 -2.755 4.483 -1.881 521 HB3 ARG 75 HB3 ARG 75 -3.954 5.077 -3.020 522 HG2 ARG 75 HG2 ARG 75 -5.746 4.310 -1.689 523 HG3 ARG 75 HG3 ARG 75 -4.668 3.394 -0.640 524 HD2 ARG 75 HD2 ARG 75 -3.684 5.473 0.169 525 HD3 ARG 75 HD3 ARG 75 -4.740 6.396 -0.904 526 HE ARG 75 HE ARG 75 -6.445 4.876 0.590 527 HH11 ARG 75 HH11 ARG 75 -7.458 5.622 2.486 528 HH12 ARG 75 HH12 ARG 75 -6.691 6.849 3.439 529 HH21 ARG 75 HH21 ARG 75 -3.909 7.133 1.335 530 HH22 ARG 75 HH22 ARG 75 -4.669 7.717 2.777 531 H GLU 76 H GLU 76 -4.497 4.007 -5.255 532 HA GLU 76 HA GLU 76 -7.247 3.470 -5.054 533 HB2 GLU 76 HB2 GLU 76 -6.380 5.208 -6.522 534 HB3 GLU 76 HB3 GLU 76 -5.557 4.009 -7.514 535 HG2 GLU 76 HG2 GLU 76 -7.784 3.059 -8.088 536 HG3 GLU 76 HG3 GLU 76 -8.527 4.375 -7.182 537 H LEU 77 H LEU 77 -4.623 1.720 -6.637 538 HA LEU 77 HA LEU 77 -6.170 -0.244 -7.915 539 HB2 LEU 77 HB2 LEU 77 -3.816 0.158 -8.438 540 HB3 LEU 77 HB3 LEU 77 -3.351 -0.394 -6.841 541 HG LEU 77 HG LEU 77 -4.193 -2.655 -7.400 542 HD11 LEU 77 HD11 LEU 77 -5.826 -2.414 -9.014 543 HD12 LEU 77 HD12 LEU 77 -4.460 -3.009 -9.955 544 HD13 LEU 77 HD13 LEU 77 -4.862 -1.293 -9.976 545 HD21 LEU 77 HD21 LEU 77 -2.135 -3.144 -8.085 546 HD22 LEU 77 HD22 LEU 77 -1.844 -1.410 -8.223 547 HD23 LEU 77 HD23 LEU 77 -2.385 -2.327 -9.627 548 H LEU 78 H LEU 78 -4.620 -0.228 -4.708 549 HA LEU 78 HA LEU 78 -5.477 -2.837 -3.998 550 HB2 LEU 78 HB2 LEU 78 -4.618 -0.518 -2.248 551 HB3 LEU 78 HB3 LEU 78 -4.861 -2.159 -1.672 552 HG LEU 78 HG LEU 78 -2.784 -1.251 -3.665 553 HD11 LEU 78 HD11 LEU 78 -2.303 -0.576 -1.378 554 HD12 LEU 78 HD12 LEU 78 -1.182 -1.816 -1.936 555 HD13 LEU 78 HD13 LEU 78 -2.497 -2.245 -0.841 556 HD21 LEU 78 HD21 LEU 78 -2.142 -3.798 -2.793 557 HD22 LEU 78 HD22 LEU 78 -2.782 -3.363 -4.377 558 HD23 LEU 78 HD23 LEU 78 -3.877 -3.875 -3.093 559 H TRP 79 H TRP 79 -6.873 0.365 -3.498 560 HA TRP 79 HA TRP 79 -9.044 -0.620 -1.883 561 HB2 TRP 79 HB2 TRP 79 -8.270 2.064 -2.942 562 HB3 TRP 79 HB3 TRP 79 -9.894 1.811 -2.311 563 HD1 TRP 79 HD1 TRP 79 -6.300 2.237 -1.215 564 HE1 TRP 79 HE1 TRP 79 -6.207 2.384 1.352 565 HE3 TRP 79 HE3 TRP 79 -11.123 0.927 -0.154 566 HZ2 TRP 79 HZ2 TRP 79 -7.949 1.995 3.541 567 HZ3 TRP 79 HZ3 TRP 79 -11.832 0.840 2.201 568 HH2 TRP 79 HH2 TRP 79 -10.276 1.362 4.009 569 H SER 80 H SER 80 -8.550 -0.772 -5.168 570 HA SER 80 HA SER 80 -10.980 0.063 -6.271 571 HB2 SER 80 HB2 SER 80 -9.089 -2.121 -7.149 572 HB3 SER 80 HB3 SER 80 -10.471 -1.592 -8.104 573 HG SER 80 HG SER 80 -8.572 0.276 -7.171 574 H TRP 81 H TRP 81 -10.151 -3.073 -4.803 575 HA TRP 81 HA TRP 81 -12.796 -4.100 -5.418 576 HB2 TRP 81 HB2 TRP 81 -10.358 -5.256 -4.092 577 HB3 TRP 81 HB3 TRP 81 -11.913 -6.078 -3.993 578 HD1 TRP 81 HD1 TRP 81 -8.968 -5.598 -6.252 579 HE1 TRP 81 HE1 TRP 81 -9.353 -6.854 -8.466 580 HE3 TRP 81 HE3 TRP 81 -13.930 -6.712 -5.705 581 HZ2 TRP 81 HZ2 TRP 81 -11.477 -8.144 -9.803 582 HZ3 TRP 81 HZ3 TRP 81 -15.063 -7.960 -7.498 583 HH2 TRP 81 HH2 TRP 81 -13.860 -8.660 -9.505 584 H ALA 82 H ALA 82 -11.258 -4.646 -2.306 585 HA ALA 82 HA ALA 82 -13.615 -3.449 -1.005 586 HB1 ALA 82 HB1 ALA 82 -12.585 -4.886 0.986 587 HB2 ALA 82 HB2 ALA 82 -11.922 -5.808 -0.363 588 HB3 ALA 82 HB3 ALA 82 -13.666 -5.592 -0.213 589 H GLN 83 H GLN 83 -10.561 -4.255 0.506 590 HA GLN 83 HA GLN 83 -10.082 -1.393 1.009 591 HB2 GLN 83 HB2 GLN 83 -9.310 -3.775 2.721 592 HB3 GLN 83 HB3 GLN 83 -8.872 -2.103 3.058 593 HG2 GLN 83 HG2 GLN 83 -11.278 -1.547 3.206 594 HG3 GLN 83 HG3 GLN 83 -11.653 -3.255 2.991 595 HE21 GLN 83 HE21 GLN 83 -12.198 -4.160 4.835 596 HE22 GLN 83 HE22 GLN 83 -11.486 -3.841 6.377 597 H LYS 84 H LYS 84 -8.413 -4.523 0.750 598 HA LYS 84 HA LYS 84 -6.466 -3.233 -1.020 599 HB2 LYS 84 HB2 LYS 84 -5.159 -3.438 0.933 600 HB3 LYS 84 HB3 LYS 84 -5.885 -4.981 1.366 601 HG2 LYS 84 HG2 LYS 84 -4.623 -6.142 -0.232 602 HG3 LYS 84 HG3 LYS 84 -4.182 -4.668 -1.081 603 HD2 LYS 84 HD2 LYS 84 -2.283 -5.484 0.151 604 HD3 LYS 84 HD3 LYS 84 -2.846 -3.986 0.886 605 HE2 LYS 84 HE2 LYS 84 -2.246 -5.816 2.494 606 HE3 LYS 84 HE3 LYS 84 -3.874 -5.153 2.678 607 HZ1 LYS 84 HZ1 LYS 84 -4.831 -7.077 2.006 608 HZ2 LYS 84 HZ2 LYS 84 -3.387 -7.745 2.587 609 HZ3 LYS 84 HZ3 LYS 84 -3.584 -7.477 0.930 610 H ASN 85 H ASN 85 -7.894 -6.239 0.149 611 HA ASN 85 HA ASN 85 -8.313 -8.265 -0.788 612 HB2 ASN 85 HB2 ASN 85 -9.871 -6.596 -2.008 613 HB3 ASN 85 HB3 ASN 85 -8.801 -6.841 -3.387 614 HD21 ASN 85 HD21 ASN 85 -10.113 -7.976 -4.711 615 HD22 ASN 85 HD22 ASN 85 -10.795 -9.513 -4.323 616 H LYS 86 H LYS 86 -5.582 -7.540 -0.849 617 HA LYS 86 HA LYS 86 -4.683 -9.188 -3.093 618 HB2 LYS 86 HB2 LYS 86 -4.176 -6.364 -2.779 619 HB3 LYS 86 HB3 LYS 86 -2.666 -7.252 -2.652 620 HG2 LYS 86 HG2 LYS 86 -2.832 -6.734 -4.909 621 HG3 LYS 86 HG3 LYS 86 -3.382 -8.410 -4.823 622 HD2 LYS 86 HD2 LYS 86 -5.741 -7.270 -4.547 623 HD3 LYS 86 HD3 LYS 86 -4.934 -5.915 -5.342 624 HE2 LYS 86 HE2 LYS 86 -5.206 -8.732 -6.386 625 HE3 LYS 86 HE3 LYS 86 -6.021 -7.294 -7.000 626 HZ1 LYS 86 HZ1 LYS 86 -4.178 -7.803 -8.409 627 HZ2 LYS 86 HZ2 LYS 86 -3.106 -7.867 -7.099 628 HZ3 LYS 86 HZ3 LYS 86 -3.802 -6.391 -7.553 629 H THR 87 H THR 87 -2.289 -9.793 -2.703 630 HA THR 87 HA THR 87 -1.861 -10.092 0.188 631 HB THR 87 HB THR 87 -0.854 -12.276 -0.178 632 HG1 THR 87 HG1 THR 87 -1.147 -13.220 -2.343 633 HG21 THR 87 HG21 THR 87 -3.543 -11.713 -0.267 634 HG22 THR 87 HG22 THR 87 -2.838 -13.314 -0.043 635 HG23 THR 87 HG23 THR 87 -3.324 -12.780 -1.652 636 H ILE 88 H ILE 88 0.377 -10.359 0.817 637 HA ILE 88 HA ILE 88 2.028 -8.378 -0.250 638 HB ILE 88 HB ILE 88 2.257 -10.454 1.829 639 HG12 ILE 88 HG12 ILE 88 3.268 -8.395 3.000 640 HG13 ILE 88 HG13 ILE 88 2.813 -7.505 1.555 641 HG21 ILE 88 HG21 ILE 88 4.307 -11.003 0.767 642 HG22 ILE 88 HG22 ILE 88 4.695 -9.987 2.155 643 HG23 ILE 88 HG23 ILE 88 4.712 -9.302 0.529 644 HD11 ILE 88 HD11 ILE 88 0.491 -8.063 1.918 645 HD12 ILE 88 HD12 ILE 88 1.171 -7.298 3.354 646 HD13 ILE 88 HD13 ILE 88 0.924 -9.044 3.317 647 H GLY 89 H GLY 89 1.955 -11.862 -0.832 648 HA2 GLY 89 HA2 GLY 89 4.338 -12.058 -2.322 649 HA3 GLY 89 HA3 GLY 89 2.972 -13.162 -2.433 650 H ASP 90 H ASP 90 1.031 -11.281 -3.320 651 HA ASP 90 HA ASP 90 1.458 -11.380 -6.107 652 HB2 ASP 90 HB2 ASP 90 -0.780 -11.377 -5.061 653 HB3 ASP 90 HB3 ASP 90 -0.543 -9.700 -4.582 654 H LEU 91 H LEU 91 1.602 -8.642 -3.835 655 HA LEU 91 HA LEU 91 2.295 -6.746 -5.870 656 HB2 LEU 91 HB2 LEU 91 1.774 -6.701 -3.017 657 HB3 LEU 91 HB3 LEU 91 3.137 -5.685 -3.436 658 HG LEU 91 HG LEU 91 1.084 -4.379 -3.375 659 HD11 LEU 91 HD11 LEU 91 2.944 -4.334 -5.371 660 HD12 LEU 91 HD12 LEU 91 1.701 -3.114 -5.101 661 HD13 LEU 91 HD13 LEU 91 1.430 -4.404 -6.274 662 HD21 LEU 91 HD21 LEU 91 0.085 -6.604 -5.043 663 HD22 LEU 91 HD22 LEU 91 -0.463 -4.987 -5.486 664 HD23 LEU 91 HD23 LEU 91 -0.754 -5.603 -3.858 665 H LEU 92 H LEU 92 4.063 -8.951 -3.893 666 HA LEU 92 HA LEU 92 6.576 -7.737 -3.814 667 HB2 LEU 92 HB2 LEU 92 5.976 -9.717 -2.503 668 HB3 LEU 92 HB3 LEU 92 5.896 -10.675 -3.968 669 HG LEU 92 HG LEU 92 8.317 -10.311 -4.319 670 HD11 LEU 92 HD11 LEU 92 8.937 -8.348 -3.303 671 HD12 LEU 92 HD12 LEU 92 9.499 -9.528 -2.117 672 HD13 LEU 92 HD13 LEU 92 7.982 -8.668 -1.855 673 HD21 LEU 92 HD21 LEU 92 7.544 -12.316 -3.186 674 HD22 LEU 92 HD22 LEU 92 7.567 -11.470 -1.637 675 HD23 LEU 92 HD23 LEU 92 9.075 -11.771 -2.502 676 H GLN 93 H GLN 93 5.045 -9.668 -6.327 677 HA GLN 93 HA GLN 93 7.281 -10.107 -7.963 678 HB2 GLN 93 HB2 GLN 93 4.341 -9.886 -8.607 679 HB3 GLN 93 HB3 GLN 93 5.551 -10.351 -9.794 680 HG2 GLN 93 HG2 GLN 93 6.127 -12.305 -8.514 681 HG3 GLN 93 HG3 GLN 93 5.045 -11.813 -7.213 682 HE21 GLN 93 HE21 GLN 93 2.924 -12.287 -7.341 683 HE22 GLN 93 HE22 GLN 93 2.197 -13.151 -8.649 684 H VAL 94 H VAL 94 4.969 -7.384 -7.913 685 HA VAL 94 HA VAL 94 6.350 -6.111 -10.117 686 HB VAL 94 HB VAL 94 4.776 -4.202 -9.732 687 HG11 VAL 94 HG11 VAL 94 2.716 -5.575 -10.387 688 HG12 VAL 94 HG12 VAL 94 3.771 -6.982 -10.253 689 HG13 VAL 94 HG13 VAL 94 4.146 -5.705 -11.410 690 HG21 VAL 94 HG21 VAL 94 4.417 -5.295 -7.242 691 HG22 VAL 94 HG22 VAL 94 2.953 -5.788 -8.095 692 HG23 VAL 94 HG23 VAL 94 3.379 -4.080 -7.989 693 H LEU 95 H LEU 95 6.476 -6.060 -6.668 694 HA LEU 95 HA LEU 95 7.655 -3.531 -6.252 695 HB2 LEU 95 HB2 LEU 95 7.358 -6.032 -4.732 696 HB3 LEU 95 HB3 LEU 95 8.784 -5.108 -4.314 697 HG LEU 95 HG LEU 95 7.526 -3.290 -3.520 698 HD11 LEU 95 HD11 LEU 95 4.905 -3.513 -3.778 699 HD12 LEU 95 HD12 LEU 95 5.371 -4.397 -5.232 700 HD13 LEU 95 HD13 LEU 95 5.897 -2.727 -5.008 701 HD21 LEU 95 HD21 LEU 95 5.868 -5.691 -2.780 702 HD22 LEU 95 HD22 LEU 95 6.140 -4.234 -1.826 703 HD23 LEU 95 HD23 LEU 95 7.468 -5.357 -2.117 704 H GLN 96 H GLN 96 8.996 -6.705 -6.973 705 HA GLN 96 HA GLN 96 11.727 -5.997 -6.830 706 HB2 GLN 96 HB2 GLN 96 10.299 -8.211 -8.306 707 HB3 GLN 96 HB3 GLN 96 12.049 -8.057 -8.265 708 HG2 GLN 96 HG2 GLN 96 12.009 -8.261 -5.829 709 HG3 GLN 96 HG3 GLN 96 10.254 -8.433 -5.878 710 HE21 GLN 96 HE21 GLN 96 9.979 -10.471 -5.205 711 HE22 GLN 96 HE22 GLN 96 10.663 -11.864 -5.963 712 H GLU 97 H GLU 97 9.356 -5.909 -9.419 713 HA GLU 97 HA GLU 97 11.074 -5.412 -11.581 714 HB2 GLU 97 HB2 GLU 97 8.177 -4.738 -11.092 715 HB3 GLU 97 HB3 GLU 97 8.978 -4.369 -12.613 716 HG2 GLU 97 HG2 GLU 97 8.840 -7.136 -11.439 717 HG3 GLU 97 HG3 GLU 97 7.654 -6.494 -12.575 718 H MET 98 H MET 98 9.479 -3.177 -9.325 719 HA MET 98 HA MET 98 10.694 -0.906 -10.678 720 HB2 MET 98 HB2 MET 98 8.715 -1.175 -8.442 721 HB3 MET 98 HB3 MET 98 9.542 0.355 -8.718 722 HG2 MET 98 HG2 MET 98 7.898 -1.126 -10.764 723 HG3 MET 98 HG3 MET 98 7.347 0.256 -9.811 724 HE1 MET 98 HE1 MET 98 6.659 0.580 -12.236 725 HE2 MET 98 HE2 MET 98 7.800 0.553 -13.579 726 HE3 MET 98 HE3 MET 98 7.335 2.089 -12.849 727 H GLY 99 H GLY 99 11.528 -3.047 -8.204 728 HA2 GLY 99 HA2 GLY 99 13.434 -3.139 -6.915 729 HA3 GLY 99 HA3 GLY 99 13.982 -1.681 -7.721 730 H HIS 100 H HIS 100 11.010 -2.036 -5.797 731 HA HIS 100 HA HIS 100 11.775 0.271 -4.245 732 HB2 HIS 100 HB2 HIS 100 9.397 -0.272 -4.945 733 HB3 HIS 100 HB3 HIS 100 9.415 -1.546 -3.729 734 HD2 HIS 100 HD2 HIS 100 11.179 1.601 -2.508 735 HE1 HIS 100 HE1 HIS 100 7.276 1.751 -0.931 736 H ARG 101 H ARG 101 13.522 -0.192 -3.040 737 HA ARG 101 HA ARG 101 14.009 -2.545 -1.588 738 HB2 ARG 101 HB2 ARG 101 15.079 0.253 -1.334 739 HB3 ARG 101 HB3 ARG 101 15.697 -1.095 -0.389 740 HG2 ARG 101 HG2 ARG 101 16.409 -2.236 -2.389 741 HG3 ARG 101 HG3 ARG 101 15.673 -0.990 -3.399 742 HD2 ARG 101 HD2 ARG 101 18.059 -0.625 -3.262 743 HD3 ARG 101 HD3 ARG 101 17.210 0.671 -2.424 744 HE ARG 101 HE ARG 101 17.909 -1.391 -0.613 745 HH11 ARG 101 HH11 ARG 101 19.611 -1.051 0.861 746 HH12 ARG 101 HH12 ARG 101 20.770 0.201 0.559 747 HH21 ARG 101 HH21 ARG 101 19.283 1.238 -2.438 748 HH22 ARG 101 HH22 ARG 101 20.583 1.507 -1.325 749 H ARG 102 H ARG 102 12.557 0.534 -0.572 750 HA ARG 102 HA ARG 102 12.535 0.020 2.186 751 HB2 ARG 102 HB2 ARG 102 12.121 2.250 1.171 752 HB3 ARG 102 HB3 ARG 102 10.539 1.685 0.646 753 HG2 ARG 102 HG2 ARG 102 10.008 2.789 2.585 754 HG3 ARG 102 HG3 ARG 102 10.203 1.135 3.172 755 HD2 ARG 102 HD2 ARG 102 12.474 3.103 3.189 756 HD3 ARG 102 HD3 ARG 102 11.310 3.022 4.509 757 HE ARG 102 HE ARG 102 12.406 0.461 3.916 758 HH11 ARG 102 HH11 ARG 102 13.952 -0.454 5.326 759 HH12 ARG 102 HH12 ARG 102 14.718 0.547 6.515 760 HH21 ARG 102 HH21 ARG 102 13.006 3.455 5.588 761 HH22 ARG 102 HH22 ARG 102 14.183 2.773 6.663 762 H ALA 103 H ALA 103 10.206 -0.766 -0.334 763 HA ALA 103 HA ALA 103 8.125 -1.687 1.326 764 HB1 ALA 103 HB1 ALA 103 8.677 -2.930 -1.343 765 HB2 ALA 103 HB2 ALA 103 8.143 -1.253 -1.230 766 HB3 ALA 103 HB3 ALA 103 7.131 -2.546 -0.584 767 H ILE 104 H ILE 104 10.975 -3.277 -0.003 768 HA ILE 104 HA ILE 104 10.369 -5.918 0.744 769 HB ILE 104 HB ILE 104 13.024 -4.538 0.314 770 HG12 ILE 104 HG12 ILE 104 11.575 -6.560 -1.407 771 HG13 ILE 104 HG13 ILE 104 11.416 -4.818 -1.616 772 HG21 ILE 104 HG21 ILE 104 13.273 -7.340 -0.026 773 HG22 ILE 104 HG22 ILE 104 12.545 -7.058 1.556 774 HG23 ILE 104 HG23 ILE 104 14.086 -6.303 1.149 775 HD11 ILE 104 HD11 ILE 104 13.240 -4.778 -2.858 776 HD12 ILE 104 HD12 ILE 104 13.348 -6.532 -2.718 777 HD13 ILE 104 HD13 ILE 104 14.184 -5.503 -1.558 778 H HIS 105 H HIS 105 12.084 -3.329 2.470 779 HA HIS 105 HA HIS 105 12.857 -4.862 4.703 780 HB2 HIS 105 HB2 HIS 105 12.423 -1.906 4.320 781 HB3 HIS 105 HB3 HIS 105 12.927 -2.579 5.867 782 HD2 HIS 105 HD2 HIS 105 14.424 -1.456 2.558 783 HE1 HIS 105 HE1 HIS 105 17.488 -3.518 4.587 784 H LEU 106 H LEU 106 9.916 -2.964 4.087 785 HA LEU 106 HA LEU 106 8.871 -3.576 6.718 786 HB2 LEU 106 HB2 LEU 106 8.459 -1.520 4.977 787 HB3 LEU 106 HB3 LEU 106 7.004 -2.465 4.730 788 HG LEU 106 HG LEU 106 6.899 -0.606 6.462 789 HD11 LEU 106 HD11 LEU 106 6.091 -3.429 7.015 790 HD12 LEU 106 HD12 LEU 106 5.103 -2.073 6.471 791 HD13 LEU 106 HD13 LEU 106 5.692 -2.124 8.133 792 HD21 LEU 106 HD21 LEU 106 8.002 -0.718 8.444 793 HD22 LEU 106 HD22 LEU 106 9.191 -1.525 7.422 794 HD23 LEU 106 HD23 LEU 106 8.093 -2.479 8.422 795 H ILE 107 H ILE 107 8.710 -4.999 3.590 796 HA ILE 107 HA ILE 107 6.224 -6.287 3.736 797 HB ILE 107 HB ILE 107 7.988 -6.073 1.768 798 HG12 ILE 107 HG12 ILE 107 6.794 -8.153 0.736 799 HG13 ILE 107 HG13 ILE 107 5.872 -8.131 2.239 800 HG21 ILE 107 HG21 ILE 107 8.532 -8.835 2.846 801 HG22 ILE 107 HG22 ILE 107 9.690 -7.512 2.695 802 HG23 ILE 107 HG23 ILE 107 9.009 -8.261 1.248 803 HD11 ILE 107 HD11 ILE 107 6.100 -5.851 0.288 804 HD12 ILE 107 HD12 ILE 107 5.149 -5.857 1.774 805 HD13 ILE 107 HD13 ILE 107 4.724 -6.942 0.451 806 H THR 108 H THR 108 9.163 -6.920 5.401 807 HA THR 108 HA THR 108 8.813 -9.685 5.905 808 HB THR 108 HB THR 108 10.973 -8.425 6.188 809 HG1 THR 108 HG1 THR 108 9.912 -10.168 8.143 810 HG21 THR 108 HG21 THR 108 9.428 -7.258 8.439 811 HG22 THR 108 HG22 THR 108 10.679 -6.532 7.430 812 HG23 THR 108 HG23 THR 108 11.125 -7.637 8.733 813 H ASN 109 H ASN 109 7.136 -6.962 7.102 814 HA ASN 109 HA ASN 109 6.499 -8.025 9.689 815 HB2 ASN 109 HB2 ASN 109 5.355 -5.779 8.046 816 HB3 ASN 109 HB3 ASN 109 4.638 -6.255 9.582 817 HD21 ASN 109 HD21 ASN 109 5.988 -6.154 11.480 818 HD22 ASN 109 HD22 ASN 109 7.264 -4.991 11.556 819 H TYR 110 H TYR 110 5.496 -8.861 6.602 820 HA TYR 110 HA TYR 110 2.780 -9.518 7.052 821 HB2 TYR 110 HB2 TYR 110 3.573 -9.309 4.796 822 HB3 TYR 110 HB3 TYR 110 4.791 -10.551 5.050 823 HD1 TYR 110 HD1 TYR 110 1.077 -10.101 5.136 824 HD2 TYR 110 HD2 TYR 110 4.347 -12.709 4.343 825 HE1 TYR 110 HE1 TYR 110 -0.488 -11.805 4.306 826 HE2 TYR 110 HE2 TYR 110 2.789 -14.418 3.511 827 HH TYR 110 HH TYR 110 0.519 -15.043 3.598 828 H GLY 111 H GLY 111 1.796 -11.352 7.768 829 HA2 GLY 111 HA2 GLY 111 1.964 -13.791 8.134 830 HA3 GLY 111 HA3 GLY 111 3.572 -13.489 8.776 831 H ALA 112 H ALA 112 1.925 -10.957 9.877 832 HA ALA 112 HA ALA 112 1.809 -11.822 12.541 833 HB1 ALA 112 HB1 ALA 112 1.997 -9.448 11.710 834 HB2 ALA 112 HB2 ALA 112 0.887 -9.703 13.056 835 HB3 ALA 112 HB3 ALA 112 0.257 -9.500 11.422 836 H VAL 113 H VAL 113 -0.704 -11.595 10.070 837 HA VAL 113 HA VAL 113 -2.850 -12.269 11.837 838 HB VAL 113 HB VAL 113 -4.193 -12.546 9.771 839 HG11 VAL 113 HG11 VAL 113 -3.803 -10.148 8.942 840 HG12 VAL 113 HG12 VAL 113 -2.546 -10.072 10.178 841 HG13 VAL 113 HG13 VAL 113 -4.219 -10.378 10.640 842 HG21 VAL 113 HG21 VAL 113 -2.016 -11.500 8.067 843 HG22 VAL 113 HG22 VAL 113 -3.337 -12.602 7.675 844 HG23 VAL 113 HG23 VAL 113 -1.907 -13.203 8.517 845 H LEU 114 H LEU 114 -0.466 -14.083 10.229 846 HA LEU 114 HA LEU 114 0.033 -16.288 10.157 847 HB2 LEU 114 HB2 LEU 114 -2.358 -16.496 11.973 848 HB3 LEU 114 HB3 LEU 114 -1.421 -17.894 11.480 849 HG LEU 114 HG LEU 114 -0.258 -15.524 12.947 850 HD11 LEU 114 HD11 LEU 114 -1.923 -16.662 14.330 851 HD12 LEU 114 HD12 LEU 114 -0.289 -16.932 14.934 852 HD13 LEU 114 HD13 LEU 114 -1.118 -18.203 14.035 853 HD21 LEU 114 HD21 LEU 114 0.822 -18.031 11.826 854 HD22 LEU 114 HD22 LEU 114 1.377 -17.602 13.444 855 HD23 LEU 114 HD23 LEU 114 1.609 -16.477 12.105 856 H SER 115 H SER 115 -3.523 -15.974 9.899 857 HA SER 115 HA SER 115 -3.347 -17.604 7.444 858 HB2 SER 115 HB2 SER 115 -5.637 -17.487 9.421 859 HB3 SER 115 HB3 SER 115 -5.606 -18.441 7.938 860 HG SER 115 HG SER 115 -3.430 -18.874 9.532 861 HA PRO 116 HA PRO 116 -4.990 -13.613 5.945 862 HB2 PRO 116 HB2 PRO 116 -4.103 -13.890 3.410 863 HB3 PRO 116 HB3 PRO 116 -3.045 -13.366 4.727 864 HG2 PRO 116 HG2 PRO 116 -3.350 -16.090 3.515 865 HG3 PRO 116 HG3 PRO 116 -1.865 -15.218 3.942 866 HD2 PRO 116 HD2 PRO 116 -2.935 -17.140 5.526 867 HD3 PRO 116 HD3 PRO 116 -2.045 -15.750 6.180 868 H SER 117 H SER 117 -6.685 -13.098 4.460 869 HA SER 117 HA SER 117 -8.665 -15.091 4.201 870 HB2 SER 117 HB2 SER 117 -9.938 -13.388 2.951 871 HB3 SER 117 HB3 SER 117 -9.237 -12.724 4.428 872 HG SER 117 HG SER 117 -8.963 -11.386 2.538 873 H GLU 118 H GLU 118 -6.262 -13.855 1.965 874 HA GLU 118 HA GLU 118 -7.191 -15.823 -0.020 875 HB2 GLU 118 HB2 GLU 118 -5.802 -13.184 -0.535 876 HB3 GLU 118 HB3 GLU 118 -6.250 -14.357 -1.767 877 HG2 GLU 118 HG2 GLU 118 -8.211 -12.960 0.041 878 HG3 GLU 118 HG3 GLU 118 -7.800 -12.429 -1.588 879 H LYS 119 H LYS 119 -5.665 -17.084 -1.047 880 HA LYS 119 HA LYS 119 -3.790 -18.348 -1.236 881 HB2 LYS 119 HB2 LYS 119 -2.383 -15.752 -0.587 882 HB3 LYS 119 HB3 LYS 119 -1.631 -17.174 -1.291 883 HG2 LYS 119 HG2 LYS 119 -3.827 -15.559 -2.575 884 HG3 LYS 119 HG3 LYS 119 -2.109 -15.431 -2.956 885 HD2 LYS 119 HD2 LYS 119 -2.104 -17.795 -3.643 886 HD3 LYS 119 HD3 LYS 119 -3.835 -17.883 -3.305 887 HE2 LYS 119 HE2 LYS 119 -4.245 -16.152 -4.987 888 HE3 LYS 119 HE3 LYS 119 -2.518 -16.076 -5.329 889 HZ1 LYS 119 HZ1 LYS 119 -4.352 -18.354 -5.819 890 HZ2 LYS 119 HZ2 LYS 119 -2.669 -18.482 -5.928 891 HZ3 LYS 119 HZ3 LYS 119 -3.505 -17.444 -6.967 892 H SER 120 H SER 120 -5.042 -18.537 1.229 893 HA SER 120 HA SER 120 -3.153 -18.323 3.364 894 HB2 SER 120 HB2 SER 120 -4.851 -19.400 4.727 895 HB3 SER 120 HB3 SER 120 -5.617 -18.184 3.707 896 HG SER 120 HG SER 120 -6.884 -19.873 3.351 897 H TYR 121 H TYR 121 -2.474 -20.205 4.684 898 HA TYR 121 HA TYR 121 -1.911 -22.546 2.989 899 HB2 TYR 121 HB2 TYR 121 0.131 -21.261 3.309 900 HB3 TYR 121 HB3 TYR 121 -0.117 -21.242 5.052 901 HD1 TYR 121 HD1 TYR 121 0.505 -23.534 2.186 902 HD2 TYR 121 HD2 TYR 121 0.780 -22.945 6.392 903 HE1 TYR 121 HE1 TYR 121 1.818 -25.604 2.386 904 HE2 TYR 121 HE2 TYR 121 2.094 -25.012 6.601 905 HH TYR 121 HH TYR 121 3.697 -26.399 4.454 906 H GLN 122 H GLN 122 -2.557 -24.449 3.771 907 HA GLN 122 HA GLN 122 -3.136 -24.659 6.649 908 HB2 GLN 122 HB2 GLN 122 -4.773 -25.699 4.329 909 HB3 GLN 122 HB3 GLN 122 -5.008 -26.226 5.989 910 HG2 GLN 122 HG2 GLN 122 -5.650 -24.027 6.669 911 HG3 GLN 122 HG3 GLN 122 -5.215 -23.363 5.096 912 HE21 GLN 122 HE21 GLN 122 -7.760 -23.272 6.503 913 HE22 GLN 122 HE22 GLN 122 -8.917 -24.004 5.451 914 H GLU 123 H GLU 123 -2.654 -26.628 7.625 915 HA GLU 123 HA GLU 123 -1.054 -28.466 5.973 916 HB2 GLU 123 HB2 GLU 123 0.236 -27.272 7.707 917 HB3 GLU 123 HB3 GLU 123 -0.837 -27.912 8.942 918 HG2 GLU 123 HG2 GLU 123 -0.104 -30.174 8.436 919 HG3 GLU 123 HG3 GLU 123 0.943 -29.558 7.159 920 H GLY 124 H GLY 124 -1.780 -30.492 5.753 921 HA2 GLY 124 HA2 GLY 124 -3.095 -31.934 7.817 922 HA3 GLY 124 HA3 GLY 124 -4.264 -31.348 6.642 Start of MODEL 14 1 H1 SER 1 HT1 SER 1 -0.426 28.986 15.261 2 H2 SER 1 HT2 SER 1 -0.411 30.407 14.346 3 H3 SER 1 HT3 SER 1 0.983 29.915 15.175 4 HA SER 1 HA SER 1 -0.278 28.599 12.842 5 HB2 SER 1 HB2 SER 1 2.566 29.174 12.694 6 HB3 SER 1 HB3 SER 1 1.267 29.672 11.605 7 HG SER 1 HG SER 1 1.131 31.017 13.937 8 H GLU 2 H GLU 2 1.382 26.925 11.951 9 HA GLU 2 HA GLU 2 2.310 24.867 12.148 10 HB2 GLU 2 HB2 GLU 2 3.476 26.140 14.621 11 HB3 GLU 2 HB3 GLU 2 3.932 24.540 14.056 12 HG2 GLU 2 HG2 GLU 2 4.776 25.463 11.992 13 HG3 GLU 2 HG3 GLU 2 4.217 27.071 12.450 14 H PHE 3 H PHE 3 -0.304 24.857 12.877 15 HA PHE 3 HA PHE 3 -0.329 22.691 14.818 16 HB2 PHE 3 HB2 PHE 3 -2.135 23.611 16.147 17 HB3 PHE 3 HB3 PHE 3 -0.788 24.739 16.150 18 HD1 PHE 3 HD1 PHE 3 -4.232 24.159 15.096 19 HD2 PHE 3 HD2 PHE 3 -0.957 26.873 14.992 20 HE1 PHE 3 HE1 PHE 3 -5.751 25.957 14.377 21 HE2 PHE 3 HE2 PHE 3 -2.470 28.675 14.270 22 HZ PHE 3 HZ PHE 3 -4.870 28.219 13.962 23 H GLY 4 H GLY 4 -2.392 21.491 14.792 24 HA2 GLY 4 HA2 GLY 4 -4.312 20.680 13.754 25 HA3 GLY 4 HA3 GLY 4 -4.199 21.986 12.587 26 H SER 5 H SER 5 -1.219 20.577 12.734 27 HA SER 5 HA SER 5 -1.650 19.212 10.215 28 HB2 SER 5 HB2 SER 5 0.949 19.439 11.739 29 HB3 SER 5 HB3 SER 5 0.727 19.160 10.011 30 HG SER 5 HG SER 5 -0.530 21.410 10.634 31 H MET 6 H MET 6 -3.035 17.570 11.285 32 HA MET 6 HA MET 6 -1.692 15.610 12.943 33 HB2 MET 6 HB2 MET 6 -4.475 15.654 11.761 34 HB3 MET 6 HB3 MET 6 -3.876 14.416 12.855 35 HG2 MET 6 HG2 MET 6 -4.158 17.344 13.504 36 HG3 MET 6 HG3 MET 6 -5.265 16.067 13.999 37 HE1 MET 6 HE1 MET 6 -1.750 17.564 14.224 38 HE2 MET 6 HE2 MET 6 -1.336 17.277 15.913 39 HE3 MET 6 HE3 MET 6 -2.704 18.312 15.507 40 H ALA 7 H ALA 7 -1.077 13.564 12.343 41 HA ALA 7 HA ALA 7 -0.408 13.163 9.604 42 HB1 ALA 7 HB1 ALA 7 0.545 11.058 10.328 43 HB2 ALA 7 HB2 ALA 7 -0.292 11.180 11.875 44 HB3 ALA 7 HB3 ALA 7 0.979 12.333 11.466 45 H GLY 8 H GLY 8 -1.313 11.856 8.076 46 HA2 GLY 8 HA2 GLY 8 -4.037 10.957 8.614 47 HA3 GLY 8 HA3 GLY 8 -3.286 11.109 7.032 48 H ASN 9 H ASN 9 -4.533 8.931 7.030 49 HA ASN 9 HA ASN 9 -3.434 6.697 8.361 50 HB2 ASN 9 HB2 ASN 9 -5.709 6.834 7.233 51 HB3 ASN 9 HB3 ASN 9 -4.865 6.616 5.701 52 HD21 ASN 9 HD21 ASN 9 -5.732 4.648 5.207 53 HD22 ASN 9 HD22 ASN 9 -5.402 3.212 6.105 54 H CYS 10 H CYS 10 -1.728 5.455 7.944 55 HA CYS 10 HA CYS 10 0.166 4.624 7.018 56 HB2 CYS 10 HB2 CYS 10 -1.097 5.506 4.416 57 HB3 CYS 10 HB3 CYS 10 0.332 4.487 4.546 58 HG CYS 10 HG CYS 10 -1.557 2.682 3.919 59 H GLY 11 H GLY 11 -0.198 7.577 7.681 60 HA2 GLY 11 HA2 GLY 11 1.430 9.121 5.979 61 HA3 GLY 11 HA3 GLY 11 1.074 9.487 7.659 62 H ALA 12 H ALA 12 2.260 7.218 8.855 63 HA ALA 12 HA ALA 12 5.010 7.079 7.982 64 HB1 ALA 12 HB1 ALA 12 5.965 7.983 10.046 65 HB2 ALA 12 HB2 ALA 12 4.348 8.402 10.613 66 HB3 ALA 12 HB3 ALA 12 5.018 9.202 9.189 67 H ARG 13 H ARG 13 6.266 5.541 9.213 68 HA ARG 13 HA ARG 13 4.905 3.927 11.192 69 HB2 ARG 13 HB2 ARG 13 5.275 1.809 9.931 70 HB3 ARG 13 HB3 ARG 13 4.085 2.864 9.184 71 HG2 ARG 13 HG2 ARG 13 5.223 2.424 7.306 72 HG3 ARG 13 HG3 ARG 13 6.341 3.651 7.904 73 HD2 ARG 13 HD2 ARG 13 7.600 1.802 9.047 74 HD3 ARG 13 HD3 ARG 13 6.569 0.660 8.188 75 HE ARG 13 HE ARG 13 7.682 1.155 6.221 76 HH11 ARG 13 HH11 ARG 13 9.482 1.915 5.061 77 HH12 ARG 13 HH12 ARG 13 10.526 3.100 5.779 78 HH21 ARG 13 HH21 ARG 13 8.710 3.313 8.765 79 HH22 ARG 13 HH22 ARG 13 10.087 3.894 7.887 80 H GLY 14 H GLY 14 6.354 2.347 12.203 81 HA2 GLY 14 HA2 GLY 14 9.085 2.127 11.564 82 HA3 GLY 14 HA3 GLY 14 8.889 3.401 12.758 83 H ALA 15 H ALA 15 10.374 1.158 13.321 84 HA ALA 15 HA ALA 15 10.726 -0.414 14.910 85 HB1 ALA 15 HB1 ALA 15 8.394 1.049 16.069 86 HB2 ALA 15 HB2 ALA 15 10.065 0.968 16.630 87 HB3 ALA 15 HB3 ALA 15 8.992 -0.415 16.852 88 H LEU 16 H LEU 16 7.248 -0.662 15.351 89 HA LEU 16 HA LEU 16 7.376 -3.378 14.226 90 HB2 LEU 16 HB2 LEU 16 5.457 -3.909 15.669 91 HB3 LEU 16 HB3 LEU 16 6.856 -3.390 16.589 92 HG LEU 16 HG LEU 16 5.251 -1.093 16.062 93 HD11 LEU 16 HD11 LEU 16 3.396 -2.644 15.709 94 HD12 LEU 16 HD12 LEU 16 3.186 -1.716 17.194 95 HD13 LEU 16 HD13 LEU 16 3.721 -3.394 17.272 96 HD21 LEU 16 HD21 LEU 16 6.816 -1.453 17.943 97 HD22 LEU 16 HD22 LEU 16 5.689 -2.626 18.623 98 HD23 LEU 16 HD23 LEU 16 5.216 -0.934 18.471 99 H SER 17 H SER 17 5.370 -4.162 13.172 100 HA SER 17 HA SER 17 4.444 -2.255 11.245 101 HB2 SER 17 HB2 SER 17 2.874 -4.319 10.742 102 HB3 SER 17 HB3 SER 17 4.598 -4.386 10.363 103 HG SER 17 HG SER 17 3.192 -5.937 12.029 104 H ALA 18 H ALA 18 3.073 -0.705 11.861 105 HA ALA 18 HA ALA 18 0.989 -1.227 13.827 106 HB1 ALA 18 HB1 ALA 18 2.372 0.854 13.886 107 HB2 ALA 18 HB2 ALA 18 0.631 1.136 13.861 108 HB3 ALA 18 HB3 ALA 18 1.581 1.356 12.392 109 H HIS 19 H HIS 19 1.340 -1.530 10.567 110 HA HIS 19 HA HIS 19 -1.454 -0.885 9.966 111 HB2 HIS 19 HB2 HIS 19 0.892 -1.349 8.117 112 HB3 HIS 19 HB3 HIS 19 -0.758 -1.055 7.579 113 HD2 HIS 19 HD2 HIS 19 -1.597 1.567 7.669 114 HE1 HIS 19 HE1 HIS 19 2.011 3.217 9.084 115 H THR 20 H THR 20 -0.362 -3.347 11.354 116 HA THR 20 HA THR 20 -0.719 -5.515 9.508 117 HB THR 20 HB THR 20 -0.712 -5.600 12.532 118 HG1 THR 20 HG1 THR 20 1.306 -4.994 12.220 119 HG21 THR 20 HG21 THR 20 -1.403 -7.607 10.835 120 HG22 THR 20 HG22 THR 20 -0.658 -7.855 12.413 121 HG23 THR 20 HG23 THR 20 0.338 -7.857 10.957 122 H LEU 21 H LEU 21 -2.598 -6.331 8.822 123 HA LEU 21 HA LEU 21 -4.804 -6.807 10.572 124 HB2 LEU 21 HB2 LEU 21 -4.775 -4.307 9.317 125 HB3 LEU 21 HB3 LEU 21 -5.888 -5.275 8.369 126 HG LEU 21 HG LEU 21 -6.442 -5.636 11.169 127 HD11 LEU 21 HD11 LEU 21 -5.452 -3.477 11.535 128 HD12 LEU 21 HD12 LEU 21 -7.206 -3.331 11.640 129 HD13 LEU 21 HD13 LEU 21 -6.363 -2.788 10.191 130 HD21 LEU 21 HD21 LEU 21 -7.950 -4.481 8.832 131 HD22 LEU 21 HD22 LEU 21 -8.658 -4.730 10.427 132 HD23 LEU 21 HD23 LEU 21 -8.073 -6.109 9.498 133 H LEU 22 H LEU 22 -6.673 -7.801 9.325 134 HA LEU 22 HA LEU 22 -5.721 -9.912 7.726 135 HB2 LEU 22 HB2 LEU 22 -7.695 -10.130 9.108 136 HB3 LEU 22 HB3 LEU 22 -8.527 -8.901 8.175 137 HG LEU 22 HG LEU 22 -8.480 -10.402 6.204 138 HD11 LEU 22 HD11 LEU 22 -6.982 -12.125 8.110 139 HD12 LEU 22 HD12 LEU 22 -6.734 -11.864 6.383 140 HD13 LEU 22 HD13 LEU 22 -8.057 -12.891 6.939 141 HD21 LEU 22 HD21 LEU 22 -10.088 -12.101 7.166 142 HD22 LEU 22 HD22 LEU 22 -10.483 -10.404 7.450 143 HD23 LEU 22 HD23 LEU 22 -9.770 -11.372 8.741 144 H PHE 23 H PHE 23 -7.672 -7.063 6.785 145 HA PHE 23 HA PHE 23 -7.496 -7.793 3.986 146 HB2 PHE 23 HB2 PHE 23 -8.728 -5.400 5.366 147 HB3 PHE 23 HB3 PHE 23 -8.798 -5.685 3.627 148 HD1 PHE 23 HD1 PHE 23 -10.113 -6.619 6.883 149 HD2 PHE 23 HD2 PHE 23 -10.116 -7.546 2.727 150 HE1 PHE 23 HE1 PHE 23 -12.137 -7.980 7.192 151 HE2 PHE 23 HE2 PHE 23 -12.143 -8.909 3.029 152 HZ PHE 23 HZ PHE 23 -13.155 -9.127 5.262 153 H ASP 24 H ASP 24 -6.075 -5.511 6.175 154 HA ASP 24 HA ASP 24 -4.363 -4.507 4.024 155 HB2 ASP 24 HB2 ASP 24 -3.892 -2.587 5.715 156 HB3 ASP 24 HB3 ASP 24 -5.363 -2.552 4.750 157 H LEU 25 H LEU 25 -3.159 -6.519 4.416 158 HA LEU 25 HA LEU 25 -1.843 -7.294 6.678 159 HB2 LEU 25 HB2 LEU 25 -0.934 -7.295 3.811 160 HB3 LEU 25 HB3 LEU 25 0.010 -8.041 5.087 161 HG LEU 25 HG LEU 25 -2.826 -8.811 4.412 162 HD11 LEU 25 HD11 LEU 25 -1.162 -9.276 2.599 163 HD12 LEU 25 HD12 LEU 25 -1.976 -10.697 3.258 164 HD13 LEU 25 HD13 LEU 25 -0.321 -10.326 3.741 165 HD21 LEU 25 HD21 LEU 25 -2.549 -9.498 6.585 166 HD22 LEU 25 HD22 LEU 25 -0.818 -9.773 6.390 167 HD23 LEU 25 HD23 LEU 25 -1.972 -10.909 5.697 168 HA PRO 26 HA PRO 26 1.170 -4.543 8.370 169 HB2 PRO 26 HB2 PRO 26 3.487 -6.046 7.537 170 HB3 PRO 26 HB3 PRO 26 2.771 -5.922 9.142 171 HG2 PRO 26 HG2 PRO 26 2.439 -8.011 7.098 172 HG3 PRO 26 HG3 PRO 26 2.186 -8.099 8.848 173 HD2 PRO 26 HD2 PRO 26 0.133 -8.142 7.120 174 HD3 PRO 26 HD3 PRO 26 0.006 -7.329 8.694 175 HA PRO 27 HA PRO 27 2.789 -1.541 5.625 176 HB2 PRO 27 HB2 PRO 27 5.397 -1.854 7.026 177 HB3 PRO 27 HB3 PRO 27 4.487 -0.385 6.637 178 HG2 PRO 27 HG2 PRO 27 4.458 -1.387 9.087 179 HG3 PRO 27 HG3 PRO 27 3.000 -0.685 8.370 180 HD2 PRO 27 HD2 PRO 27 3.682 -3.541 8.846 181 HD3 PRO 27 HD3 PRO 27 2.103 -2.740 8.851 182 H ALA 28 H ALA 28 4.232 -4.637 5.698 183 HA ALA 28 HA ALA 28 6.447 -4.373 4.053 184 HB1 ALA 28 HB1 ALA 28 5.473 -6.778 3.274 185 HB2 ALA 28 HB2 ALA 28 4.610 -6.547 4.794 186 HB3 ALA 28 HB3 ALA 28 6.375 -6.509 4.765 187 H LEU 29 H LEU 29 3.005 -4.475 3.200 188 HA LEU 29 HA LEU 29 3.804 -4.157 0.387 189 HB2 LEU 29 HB2 LEU 29 1.985 -5.899 1.456 190 HB3 LEU 29 HB3 LEU 29 0.967 -4.583 0.898 191 HG LEU 29 HG LEU 29 1.799 -4.799 -1.348 192 HD11 LEU 29 HD11 LEU 29 3.262 -7.125 -1.462 193 HD12 LEU 29 HD12 LEU 29 3.888 -6.342 -0.012 194 HD13 LEU 29 HD13 LEU 29 3.919 -5.491 -1.555 195 HD21 LEU 29 HD21 LEU 29 0.173 -6.287 -1.570 196 HD22 LEU 29 HD22 LEU 29 0.427 -6.886 0.070 197 HD23 LEU 29 HD23 LEU 29 1.355 -7.559 -1.270 198 H LEU 30 H LEU 30 0.806 -3.175 2.053 199 HA LEU 30 HA LEU 30 0.451 -0.878 0.476 200 HB2 LEU 30 HB2 LEU 30 -1.390 -1.993 1.662 201 HB3 LEU 30 HB3 LEU 30 -0.698 -1.514 3.197 202 HG LEU 30 HG LEU 30 -1.078 0.857 2.596 203 HD11 LEU 30 HD11 LEU 30 -1.064 0.914 0.261 204 HD12 LEU 30 HD12 LEU 30 -2.741 1.228 0.710 205 HD13 LEU 30 HD13 LEU 30 -2.269 -0.370 0.137 206 HD21 LEU 30 HD21 LEU 30 -3.217 0.839 3.373 207 HD22 LEU 30 HD22 LEU 30 -2.789 -0.839 3.706 208 HD23 LEU 30 HD23 LEU 30 -3.725 -0.436 2.265 209 H GLY 31 H GLY 31 1.693 -1.125 3.826 210 HA2 GLY 31 HA2 GLY 31 1.920 1.637 4.284 211 HA3 GLY 31 HA3 GLY 31 2.829 0.394 5.122 212 H GLU 32 H GLU 32 4.458 -0.634 3.271 213 HA GLU 32 HA GLU 32 6.465 1.353 3.038 214 HB2 GLU 32 HB2 GLU 32 6.934 -1.000 3.486 215 HB3 GLU 32 HB3 GLU 32 6.318 -1.434 1.896 216 HG2 GLU 32 HG2 GLU 32 8.674 -1.464 1.747 217 HG3 GLU 32 HG3 GLU 32 8.131 -0.015 0.904 218 H LEU 33 H LEU 33 4.407 -0.248 0.605 219 HA LEU 33 HA LEU 33 5.724 0.976 -1.588 220 HB2 LEU 33 HB2 LEU 33 3.005 -0.330 -1.415 221 HB3 LEU 33 HB3 LEU 33 3.730 0.253 -2.910 222 HG LEU 33 HG LEU 33 4.940 -1.871 -1.139 223 HD11 LEU 33 HD11 LEU 33 2.933 -2.742 -2.104 224 HD12 LEU 33 HD12 LEU 33 4.305 -3.404 -2.988 225 HD13 LEU 33 HD13 LEU 33 3.356 -2.096 -3.689 226 HD21 LEU 33 HD21 LEU 33 5.978 -2.051 -3.700 227 HD22 LEU 33 HD22 LEU 33 6.796 -1.414 -2.273 228 HD23 LEU 33 HD23 LEU 33 5.945 -0.321 -3.366 229 H CYS 34 H CYS 34 2.855 1.940 0.285 230 HA CYS 34 HA CYS 34 2.191 4.059 -1.508 231 HB2 CYS 34 HB2 CYS 34 0.568 4.758 0.084 232 HB3 CYS 34 HB3 CYS 34 0.593 2.998 0.134 233 HG CYS 34 HG CYS 34 2.389 3.111 2.451 234 H ALA 35 H ALA 35 4.313 3.808 1.276 235 HA ALA 35 HA ALA 35 4.621 6.678 1.486 236 HB1 ALA 35 HB1 ALA 35 6.630 5.329 2.962 237 HB2 ALA 35 HB2 ALA 35 5.110 4.455 3.169 238 HB3 ALA 35 HB3 ALA 35 5.201 6.173 3.556 239 H VAL 36 H VAL 36 6.879 3.996 0.750 240 HA VAL 36 HA VAL 36 9.019 5.710 0.085 241 HB VAL 36 HB VAL 36 8.567 2.783 -0.491 242 HG11 VAL 36 HG11 VAL 36 10.279 2.771 -1.918 243 HG12 VAL 36 HG12 VAL 36 11.317 3.468 -0.674 244 HG13 VAL 36 HG13 VAL 36 10.428 4.523 -1.774 245 HG21 VAL 36 HG21 VAL 36 10.095 2.435 1.300 246 HG22 VAL 36 HG22 VAL 36 8.899 3.606 1.857 247 HG23 VAL 36 HG23 VAL 36 10.505 4.148 1.367 248 H LEU 37 H LEU 37 6.655 4.064 -2.043 249 HA LEU 37 HA LEU 37 7.936 5.030 -4.409 250 HB2 LEU 37 HB2 LEU 37 5.157 3.933 -4.066 251 HB3 LEU 37 HB3 LEU 37 5.914 4.282 -5.607 252 HG LEU 37 HG LEU 37 6.836 2.206 -3.617 253 HD11 LEU 37 HD11 LEU 37 5.416 1.996 -6.259 254 HD12 LEU 37 HD12 LEU 37 4.812 1.510 -4.676 255 HD13 LEU 37 HD13 LEU 37 6.156 0.638 -5.413 256 HD21 LEU 37 HD21 LEU 37 8.811 2.466 -4.641 257 HD22 LEU 37 HD22 LEU 37 8.115 3.456 -5.925 258 HD23 LEU 37 HD23 LEU 37 8.041 1.697 -6.030 259 H ASP 38 H ASP 38 5.780 6.453 -2.174 260 HA ASP 38 HA ASP 38 4.385 8.247 -3.793 261 HB2 ASP 38 HB2 ASP 38 3.789 7.989 -1.459 262 HB3 ASP 38 HB3 ASP 38 5.374 8.557 -0.944 263 H SER 39 H SER 39 7.625 8.408 -2.451 264 HA SER 39 HA SER 39 8.066 11.069 -3.562 265 HB2 SER 39 HB2 SER 39 9.896 9.256 -1.970 266 HB3 SER 39 HB3 SER 39 10.280 10.906 -2.465 267 HG SER 39 HG SER 39 7.883 10.780 -1.207 268 H CYS 40 H CYS 40 7.894 8.213 -4.945 269 HA CYS 40 HA CYS 40 10.371 7.843 -6.258 270 HB2 CYS 40 HB2 CYS 40 8.640 6.088 -6.070 271 HB3 CYS 40 HB3 CYS 40 7.613 7.001 -7.179 272 HG CYS 40 HG CYS 40 8.915 4.708 -8.357 273 H ASP 41 H ASP 41 11.110 8.486 -8.211 274 HA ASP 41 HA ASP 41 9.506 10.373 -9.771 275 HB2 ASP 41 HB2 ASP 41 11.171 11.520 -8.152 276 HB3 ASP 41 HB3 ASP 41 12.419 10.926 -9.245 277 H GLY 42 H GLY 42 9.637 7.904 -10.596 278 HA2 GLY 42 HA2 GLY 42 10.007 6.979 -12.729 279 HA3 GLY 42 HA3 GLY 42 11.372 8.062 -12.938 280 H ALA 43 H ALA 43 12.042 6.978 -10.008 281 HA ALA 43 HA ALA 43 14.066 5.202 -10.838 282 HB1 ALA 43 HB1 ALA 43 12.885 5.550 -8.082 283 HB2 ALA 43 HB2 ALA 43 14.219 6.481 -8.764 284 HB3 ALA 43 HB3 ALA 43 14.413 4.756 -8.457 285 H LEU 44 H LEU 44 10.902 4.615 -9.371 286 HA LEU 44 HA LEU 44 11.084 1.807 -10.258 287 HB2 LEU 44 HB2 LEU 44 9.858 2.939 -7.730 288 HB3 LEU 44 HB3 LEU 44 9.340 1.404 -8.390 289 HG LEU 44 HG LEU 44 10.898 0.756 -6.793 290 HD11 LEU 44 HD11 LEU 44 11.384 -0.102 -9.136 291 HD12 LEU 44 HD12 LEU 44 12.678 -0.241 -7.947 292 HD13 LEU 44 HD13 LEU 44 12.728 1.041 -9.156 293 HD21 LEU 44 HD21 LEU 44 13.107 1.858 -6.518 294 HD22 LEU 44 HD22 LEU 44 11.736 2.904 -6.152 295 HD23 LEU 44 HD23 LEU 44 12.596 3.080 -7.681 296 H GLY 45 H GLY 45 9.312 4.746 -10.075 297 HA2 GLY 45 HA2 GLY 45 7.625 5.474 -11.492 298 HA3 GLY 45 HA3 GLY 45 7.445 3.827 -12.081 299 H TRP 46 H TRP 46 6.018 6.226 -10.220 300 HA TRP 46 HA TRP 46 4.773 4.869 -8.147 301 HB2 TRP 46 HB2 TRP 46 2.835 6.518 -8.534 302 HB3 TRP 46 HB3 TRP 46 4.439 7.191 -8.191 303 HD1 TRP 46 HD1 TRP 46 1.879 6.836 -11.032 304 HE1 TRP 46 HE1 TRP 46 2.462 8.531 -12.877 305 HE3 TRP 46 HE3 TRP 46 6.339 8.533 -9.197 306 HZ2 TRP 46 HZ2 TRP 46 4.533 10.354 -13.471 307 HZ3 TRP 46 HZ3 TRP 46 7.553 10.257 -10.463 308 HH2 TRP 46 HH2 TRP 46 6.669 11.148 -12.555 309 H ARG 47 H ARG 47 3.697 5.147 -11.521 310 HA ARG 47 HA ARG 47 1.540 3.270 -11.111 311 HB2 ARG 47 HB2 ARG 47 1.126 3.507 -13.534 312 HB3 ARG 47 HB3 ARG 47 1.123 5.044 -12.697 313 HG2 ARG 47 HG2 ARG 47 3.509 5.333 -13.468 314 HG3 ARG 47 HG3 ARG 47 3.261 3.908 -14.477 315 HD2 ARG 47 HD2 ARG 47 1.448 5.010 -15.646 316 HD3 ARG 47 HD3 ARG 47 1.587 6.415 -14.589 317 HE ARG 47 HE ARG 47 3.456 7.098 -15.764 318 HH11 ARG 47 HH11 ARG 47 4.817 7.109 -17.590 319 HH12 ARG 47 HH12 ARG 47 4.845 5.734 -18.642 320 HH21 ARG 47 HH21 ARG 47 2.486 3.918 -16.805 321 HH22 ARG 47 HH22 ARG 47 3.519 3.915 -18.194 322 H GLY 48 H GLY 48 4.756 2.767 -11.303 323 HA2 GLY 48 HA2 GLY 48 5.106 0.910 -13.371 324 HA3 GLY 48 HA3 GLY 48 6.048 0.957 -11.890 325 H LEU 49 H LEU 49 4.106 0.322 -10.002 326 HA LEU 49 HA LEU 49 3.924 -2.501 -10.391 327 HB2 LEU 49 HB2 LEU 49 2.735 -0.745 -8.242 328 HB3 LEU 49 HB3 LEU 49 2.784 -2.496 -8.197 329 HG LEU 49 HG LEU 49 5.205 -0.668 -8.181 330 HD11 LEU 49 HD11 LEU 49 3.992 -2.367 -6.002 331 HD12 LEU 49 HD12 LEU 49 3.928 -0.606 -6.099 332 HD13 LEU 49 HD13 LEU 49 5.476 -1.423 -5.886 333 HD21 LEU 49 HD21 LEU 49 5.642 -2.803 -9.304 334 HD22 LEU 49 HD22 LEU 49 5.019 -3.670 -7.902 335 HD23 LEU 49 HD23 LEU 49 6.482 -2.696 -7.758 336 H ALA 50 H ALA 50 1.554 0.140 -10.335 337 HA ALA 50 HA ALA 50 -0.762 -1.445 -10.652 338 HB1 ALA 50 HB1 ALA 50 -1.896 0.614 -11.230 339 HB2 ALA 50 HB2 ALA 50 -0.347 1.419 -11.483 340 HB3 ALA 50 HB3 ALA 50 -0.807 0.878 -9.868 341 H GLU 51 H GLU 51 1.367 0.070 -12.992 342 HA GLU 51 HA GLU 51 -0.177 -0.237 -15.282 343 HB2 GLU 51 HB2 GLU 51 1.828 1.190 -15.168 344 HB3 GLU 51 HB3 GLU 51 2.838 -0.245 -15.035 345 HG2 GLU 51 HG2 GLU 51 2.140 -0.955 -17.264 346 HG3 GLU 51 HG3 GLU 51 1.112 0.469 -17.399 347 H ARG 52 H ARG 52 2.222 -2.378 -13.782 348 HA ARG 52 HA ARG 52 2.260 -4.353 -15.784 349 HB2 ARG 52 HB2 ARG 52 3.262 -4.069 -13.056 350 HB3 ARG 52 HB3 ARG 52 2.792 -5.720 -13.438 351 HG2 ARG 52 HG2 ARG 52 5.081 -5.536 -13.964 352 HG3 ARG 52 HG3 ARG 52 4.220 -5.536 -15.503 353 HD2 ARG 52 HD2 ARG 52 4.566 -2.863 -14.427 354 HD3 ARG 52 HD3 ARG 52 6.101 -3.690 -14.665 355 HE ARG 52 HE ARG 52 4.679 -4.104 -16.979 356 HH11 ARG 52 HH11 ARG 52 4.941 -2.805 -18.835 357 HH12 ARG 52 HH12 ARG 52 5.513 -1.179 -18.668 358 HH21 ARG 52 HH21 ARG 52 5.805 -1.345 -15.180 359 HH22 ARG 52 HH22 ARG 52 6.007 -0.344 -16.581 360 H LEU 53 H LEU 53 0.238 -4.017 -12.874 361 HA LEU 53 HA LEU 53 -1.040 -6.537 -13.220 362 HB2 LEU 53 HB2 LEU 53 -1.034 -5.376 -11.054 363 HB3 LEU 53 HB3 LEU 53 -2.044 -4.105 -11.727 364 HG LEU 53 HG LEU 53 -3.858 -5.736 -12.085 365 HD11 LEU 53 HD11 LEU 53 -1.822 -7.636 -10.980 366 HD12 LEU 53 HD12 LEU 53 -2.832 -7.797 -12.416 367 HD13 LEU 53 HD13 LEU 53 -3.549 -7.952 -10.814 368 HD21 LEU 53 HD21 LEU 53 -4.477 -4.970 -10.091 369 HD22 LEU 53 HD22 LEU 53 -2.807 -4.900 -9.527 370 HD23 LEU 53 HD23 LEU 53 -3.723 -6.402 -9.391 371 H SER 54 H SER 54 -1.808 -3.259 -14.282 372 HA SER 54 HA SER 54 -3.251 -2.430 -15.829 373 HB2 SER 54 HB2 SER 54 -3.082 -5.252 -16.905 374 HB3 SER 54 HB3 SER 54 -3.824 -3.902 -17.764 375 HG SER 54 HG SER 54 -1.225 -3.530 -16.816 376 H SER 55 H SER 55 -4.539 -2.870 -13.534 377 HA SER 55 HA SER 55 -6.759 -4.599 -13.637 378 HB2 SER 55 HB2 SER 55 -7.645 -3.249 -11.770 379 HB3 SER 55 HB3 SER 55 -5.945 -3.658 -11.534 380 HG SER 55 HG SER 55 -6.577 -1.402 -11.130 381 H SER 56 H SER 56 -6.346 -1.252 -14.688 382 HA SER 56 HA SER 56 -8.673 -1.485 -16.377 383 HB2 SER 56 HB2 SER 56 -9.717 -0.755 -14.285 384 HB3 SER 56 HB3 SER 56 -8.602 0.606 -14.185 385 HG SER 56 HG SER 56 -10.910 0.671 -15.290 386 H TRP 57 H TRP 57 -8.680 -0.010 -18.070 387 HA TRP 57 HA TRP 57 -6.155 1.080 -18.787 388 HB2 TRP 57 HB2 TRP 57 -8.890 1.230 -20.046 389 HB3 TRP 57 HB3 TRP 57 -7.495 2.052 -20.736 390 HD1 TRP 57 HD1 TRP 57 -9.186 -1.282 -20.614 391 HE1 TRP 57 HE1 TRP 57 -7.812 -3.010 -21.936 392 HE3 TRP 57 HE3 TRP 57 -4.898 1.425 -21.279 393 HZ2 TRP 57 HZ2 TRP 57 -5.249 -3.201 -23.107 394 HZ3 TRP 57 HZ3 TRP 57 -3.033 0.397 -22.511 395 HH2 TRP 57 HH2 TRP 57 -3.207 -1.870 -23.404 396 H LEU 58 H LEU 58 -9.055 2.413 -17.369 397 HA LEU 58 HA LEU 58 -8.163 5.154 -17.753 398 HB2 LEU 58 HB2 LEU 58 -10.581 4.049 -16.326 399 HB3 LEU 58 HB3 LEU 58 -10.258 5.752 -16.584 400 HG LEU 58 HG LEU 58 -10.719 3.723 -18.776 401 HD11 LEU 58 HD11 LEU 58 -12.528 5.926 -17.799 402 HD12 LEU 58 HD12 LEU 58 -12.721 4.218 -17.401 403 HD13 LEU 58 HD13 LEU 58 -12.867 4.756 -19.075 404 HD21 LEU 58 HD21 LEU 58 -11.066 6.031 -20.003 405 HD22 LEU 58 HD22 LEU 58 -9.466 5.308 -19.846 406 HD23 LEU 58 HD23 LEU 58 -9.962 6.600 -18.753 407 H ASP 59 H ASP 59 -7.313 2.797 -15.677 408 HA ASP 59 HA ASP 59 -7.466 3.954 -13.120 409 HB2 ASP 59 HB2 ASP 59 -6.909 1.575 -13.540 410 HB3 ASP 59 HB3 ASP 59 -5.343 2.070 -14.169 411 H VAL 60 H VAL 60 -5.035 4.259 -15.665 412 HA VAL 60 HA VAL 60 -3.063 5.587 -14.180 413 HB VAL 60 HB VAL 60 -2.261 6.459 -16.383 414 HG11 VAL 60 HG11 VAL 60 -2.174 3.922 -17.316 415 HG12 VAL 60 HG12 VAL 60 -2.641 3.634 -15.639 416 HG13 VAL 60 HG13 VAL 60 -1.163 4.523 -16.002 417 HG21 VAL 60 HG21 VAL 60 -4.477 4.798 -17.572 418 HG22 VAL 60 HG22 VAL 60 -3.312 5.816 -18.418 419 HG23 VAL 60 HG23 VAL 60 -4.559 6.553 -17.410 420 H ASP 61 H ASP 61 -6.003 6.786 -15.601 421 HA ASP 61 HA ASP 61 -5.354 9.526 -15.715 422 HB2 ASP 61 HB2 ASP 61 -7.975 8.069 -15.451 423 HB3 ASP 61 HB3 ASP 61 -7.888 9.826 -15.541 424 H HIS 62 H HIS 62 -6.665 7.518 -13.125 425 HA HIS 62 HA HIS 62 -6.942 9.773 -11.339 426 HB2 HIS 62 HB2 HIS 62 -8.381 7.575 -11.460 427 HB3 HIS 62 HB3 HIS 62 -7.123 6.940 -10.405 428 HD2 HIS 62 HD2 HIS 62 -7.684 7.315 -7.819 429 HE1 HIS 62 HE1 HIS 62 -10.234 10.651 -8.166 430 H ILE 63 H ILE 63 -4.494 7.536 -12.180 431 HA ILE 63 HA ILE 63 -3.066 7.341 -9.777 432 HB ILE 63 HB ILE 63 -2.124 7.196 -12.637 433 HG12 ILE 63 HG12 ILE 63 -2.383 5.059 -10.508 434 HG13 ILE 63 HG13 ILE 63 -3.604 5.392 -11.735 435 HG21 ILE 63 HG21 ILE 63 -0.244 5.984 -10.893 436 HG22 ILE 63 HG22 ILE 63 -0.507 7.640 -10.348 437 HG23 ILE 63 HG23 ILE 63 -0.003 7.329 -12.008 438 HD11 ILE 63 HD11 ILE 63 -1.276 5.040 -13.185 439 HD12 ILE 63 HD12 ILE 63 -2.584 3.873 -12.979 440 HD13 ILE 63 HD13 ILE 63 -1.183 3.829 -11.907 441 H GLU 64 H GLU 64 -2.958 9.770 -12.335 442 HA GLU 64 HA GLU 64 -0.783 11.255 -11.329 443 HB2 GLU 64 HB2 GLU 64 -3.106 12.018 -13.102 444 HB3 GLU 64 HB3 GLU 64 -1.784 13.117 -12.726 445 HG2 GLU 64 HG2 GLU 64 -0.195 11.660 -13.782 446 HG3 GLU 64 HG3 GLU 64 -1.429 10.428 -14.030 447 H LYS 65 H LYS 65 -4.246 11.438 -10.682 448 HA LYS 65 HA LYS 65 -4.233 13.917 -9.346 449 HB2 LYS 65 HB2 LYS 65 -6.154 11.611 -9.373 450 HB3 LYS 65 HB3 LYS 65 -6.465 13.085 -8.460 451 HG2 LYS 65 HG2 LYS 65 -6.767 14.355 -10.338 452 HG3 LYS 65 HG3 LYS 65 -5.726 13.334 -11.329 453 HD2 LYS 65 HD2 LYS 65 -7.433 11.620 -11.409 454 HD3 LYS 65 HD3 LYS 65 -8.466 12.556 -10.330 455 HE2 LYS 65 HE2 LYS 65 -7.501 13.599 -12.980 456 HE3 LYS 65 HE3 LYS 65 -8.993 12.678 -12.809 457 HZ1 LYS 65 HZ1 LYS 65 -8.490 15.082 -11.171 458 HZ2 LYS 65 HZ2 LYS 65 -9.967 14.350 -11.548 459 HZ3 LYS 65 HZ3 LYS 65 -9.126 15.212 -12.735 460 H GLU 66 H GLU 66 -4.097 10.602 -7.899 461 HA GLU 66 HA GLU 66 -3.935 11.886 -5.287 462 HB2 GLU 66 HB2 GLU 66 -3.702 8.909 -5.534 463 HB3 GLU 66 HB3 GLU 66 -4.383 9.887 -4.248 464 HG2 GLU 66 HG2 GLU 66 -6.233 10.518 -5.846 465 HG3 GLU 66 HG3 GLU 66 -5.626 9.242 -6.900 466 H VAL 67 H VAL 67 -1.650 11.164 -7.572 467 HA VAL 67 HA VAL 67 0.376 9.906 -6.130 468 HB VAL 67 HB VAL 67 0.402 10.420 -8.604 469 HG11 VAL 67 HG11 VAL 67 -0.037 12.724 -8.745 470 HG12 VAL 67 HG12 VAL 67 1.660 12.543 -9.192 471 HG13 VAL 67 HG13 VAL 67 1.232 13.120 -7.582 472 HG21 VAL 67 HG21 VAL 67 3.008 11.058 -8.386 473 HG22 VAL 67 HG22 VAL 67 2.364 9.446 -8.085 474 HG23 VAL 67 HG23 VAL 67 2.675 10.538 -6.736 475 H ASP 68 H ASP 68 -0.596 13.291 -6.123 476 HA ASP 68 HA ASP 68 1.585 14.020 -4.335 477 HB2 ASP 68 HB2 ASP 68 -0.661 15.616 -5.575 478 HB3 ASP 68 HB3 ASP 68 0.447 16.296 -4.387 479 H GLN 69 H GLN 69 -1.327 12.548 -3.999 480 HA GLN 69 HA GLN 69 -1.952 13.788 -1.410 481 HB2 GLN 69 HB2 GLN 69 -3.646 11.970 -3.130 482 HB3 GLN 69 HB3 GLN 69 -4.143 12.690 -1.607 483 HG2 GLN 69 HG2 GLN 69 -3.455 14.183 -4.131 484 HG3 GLN 69 HG3 GLN 69 -5.075 13.896 -3.500 485 HE21 GLN 69 HE21 GLN 69 -5.182 14.584 -1.050 486 HE22 GLN 69 HE22 GLN 69 -4.599 16.180 -0.742 487 H GLY 70 H GLY 70 0.179 11.706 -2.017 488 HA2 GLY 70 HA2 GLY 70 0.983 10.244 -0.285 489 HA3 GLY 70 HA3 GLY 70 -0.681 9.845 0.096 490 H LYS 71 H LYS 71 0.170 9.924 -3.232 491 HA LYS 71 HA LYS 71 0.983 8.338 -4.704 492 HB2 LYS 71 HB2 LYS 71 2.180 7.006 -3.127 493 HB3 LYS 71 HB3 LYS 71 0.688 6.420 -2.401 494 HG2 LYS 71 HG2 LYS 71 1.724 4.687 -3.745 495 HG3 LYS 71 HG3 LYS 71 0.177 5.174 -4.442 496 HD2 LYS 71 HD2 LYS 71 1.856 4.878 -6.191 497 HD3 LYS 71 HD3 LYS 71 1.366 6.568 -6.079 498 HE2 LYS 71 HE2 LYS 71 3.578 6.063 -4.341 499 HE3 LYS 71 HE3 LYS 71 3.955 5.510 -5.967 500 HZ1 LYS 71 HZ1 LYS 71 4.605 7.776 -5.771 501 HZ2 LYS 71 HZ2 LYS 71 3.088 8.235 -5.171 502 HZ3 LYS 71 HZ3 LYS 71 3.243 7.725 -6.777 503 H SER 72 H SER 72 -0.096 7.336 -6.272 504 HA SER 72 HA SER 72 -2.850 6.446 -5.761 505 HB2 SER 72 HB2 SER 72 -2.534 8.752 -6.903 506 HB3 SER 72 HB3 SER 72 -2.066 7.812 -8.310 507 HG SER 72 HG SER 72 -4.273 8.164 -8.416 508 H GLY 73 H GLY 73 0.131 6.148 -7.589 509 HA2 GLY 73 HA2 GLY 73 -0.607 4.293 -9.511 510 HA3 GLY 73 HA3 GLY 73 0.991 4.384 -8.772 511 H THR 74 H THR 74 0.990 3.438 -6.444 512 HA THR 74 HA THR 74 -0.035 0.753 -6.704 513 HB THR 74 HB THR 74 1.677 1.878 -4.479 514 HG1 THR 74 HG1 THR 74 2.340 1.678 -6.973 515 HG21 THR 74 HG21 THR 74 1.965 -0.928 -5.232 516 HG22 THR 74 HG22 THR 74 0.353 -0.536 -4.636 517 HG23 THR 74 HG23 THR 74 1.767 -0.203 -3.637 518 H ARG 75 H ARG 75 -0.486 3.565 -4.611 519 HA ARG 75 HA ARG 75 -1.941 2.323 -2.561 520 HB2 ARG 75 HB2 ARG 75 -0.983 4.625 -2.427 521 HB3 ARG 75 HB3 ARG 75 -2.247 5.172 -3.514 522 HG2 ARG 75 HG2 ARG 75 -3.942 4.547 -1.907 523 HG3 ARG 75 HG3 ARG 75 -2.709 3.935 -0.809 524 HD2 ARG 75 HD2 ARG 75 -1.754 6.184 -0.648 525 HD3 ARG 75 HD3 ARG 75 -3.001 6.788 -1.738 526 HE ARG 75 HE ARG 75 -4.245 5.517 0.428 527 HH11 ARG 75 HH11 ARG 75 -5.151 6.744 2.127 528 HH12 ARG 75 HH12 ARG 75 -4.619 8.372 2.381 529 HH21 ARG 75 HH21 ARG 75 -2.337 8.337 -0.274 530 HH22 ARG 75 HH22 ARG 75 -3.016 9.286 1.005 531 H GLU 76 H GLU 76 -3.121 4.006 -5.484 532 HA GLU 76 HA GLU 76 -5.860 3.641 -4.923 533 HB2 GLU 76 HB2 GLU 76 -5.085 5.265 -6.575 534 HB3 GLU 76 HB3 GLU 76 -4.478 3.968 -7.602 535 HG2 GLU 76 HG2 GLU 76 -6.829 3.128 -7.774 536 HG3 GLU 76 HG3 GLU 76 -7.341 4.566 -6.891 537 H LEU 77 H LEU 77 -3.514 1.673 -6.663 538 HA LEU 77 HA LEU 77 -5.282 -0.230 -7.723 539 HB2 LEU 77 HB2 LEU 77 -2.927 -0.000 -8.402 540 HB3 LEU 77 HB3 LEU 77 -2.417 -0.577 -6.829 541 HG LEU 77 HG LEU 77 -3.525 -2.755 -7.314 542 HD11 LEU 77 HD11 LEU 77 -3.729 -2.840 -10.034 543 HD12 LEU 77 HD12 LEU 77 -4.387 -1.247 -9.663 544 HD13 LEU 77 HD13 LEU 77 -5.082 -2.685 -8.913 545 HD21 LEU 77 HD21 LEU 77 -1.431 -3.279 -7.841 546 HD22 LEU 77 HD22 LEU 77 -1.134 -1.666 -8.490 547 HD23 LEU 77 HD23 LEU 77 -1.822 -2.919 -9.522 548 H LEU 78 H LEU 78 -3.468 -0.195 -4.662 549 HA LEU 78 HA LEU 78 -4.522 -2.675 -3.729 550 HB2 LEU 78 HB2 LEU 78 -3.211 -0.408 -2.209 551 HB3 LEU 78 HB3 LEU 78 -3.543 -1.998 -1.546 552 HG LEU 78 HG LEU 78 -1.642 -1.372 -3.803 553 HD11 LEU 78 HD11 LEU 78 -0.707 -0.676 -1.733 554 HD12 LEU 78 HD12 LEU 78 0.053 -2.203 -2.178 555 HD13 LEU 78 HD13 LEU 78 -1.202 -2.170 -0.941 556 HD21 LEU 78 HD21 LEU 78 -2.188 -3.488 -4.403 557 HD22 LEU 78 HD22 LEU 78 -2.787 -3.907 -2.797 558 HD23 LEU 78 HD23 LEU 78 -1.051 -3.893 -3.116 559 H TRP 79 H TRP 79 -5.403 0.695 -3.264 560 HA TRP 79 HA TRP 79 -7.408 0.215 -1.277 561 HB2 TRP 79 HB2 TRP 79 -6.007 2.361 -1.794 562 HB3 TRP 79 HB3 TRP 79 -7.292 2.702 -2.944 563 HD1 TRP 79 HD1 TRP 79 -9.518 3.675 -2.008 564 HE1 TRP 79 HE1 TRP 79 -10.322 4.368 0.337 565 HE3 TRP 79 HE3 TRP 79 -5.739 1.652 0.779 566 HZ2 TRP 79 HZ2 TRP 79 -9.466 4.097 3.015 567 HZ3 TRP 79 HZ3 TRP 79 -5.803 1.918 3.224 568 HH2 TRP 79 HH2 TRP 79 -7.629 3.115 4.319 569 H SER 80 H SER 80 -7.452 -0.358 -4.579 570 HA SER 80 HA SER 80 -9.910 0.654 -5.423 571 HB2 SER 80 HB2 SER 80 -9.839 -1.070 -7.178 572 HB3 SER 80 HB3 SER 80 -8.269 -0.292 -6.970 573 HG SER 80 HG SER 80 -7.447 -2.104 -6.175 574 H TRP 81 H TRP 81 -9.235 -2.388 -3.711 575 HA TRP 81 HA TRP 81 -12.052 -3.103 -3.810 576 HB2 TRP 81 HB2 TRP 81 -9.549 -4.455 -2.907 577 HB3 TRP 81 HB3 TRP 81 -11.074 -4.977 -2.192 578 HD1 TRP 81 HD1 TRP 81 -8.988 -5.326 -5.290 579 HE1 TRP 81 HE1 TRP 81 -10.203 -6.843 -6.982 580 HE3 TRP 81 HE3 TRP 81 -13.572 -5.553 -3.035 581 HZ2 TRP 81 HZ2 TRP 81 -12.767 -7.983 -7.314 582 HZ3 TRP 81 HZ3 TRP 81 -15.351 -6.877 -4.104 583 HH2 TRP 81 HH2 TRP 81 -14.955 -8.066 -6.198 584 H ALA 82 H ALA 82 -10.104 -3.550 -0.928 585 HA ALA 82 HA ALA 82 -12.022 -1.882 0.559 586 HB1 ALA 82 HB1 ALA 82 -12.214 -3.904 1.616 587 HB2 ALA 82 HB2 ALA 82 -10.862 -3.241 2.534 588 HB3 ALA 82 HB3 ALA 82 -10.564 -4.389 1.229 589 H GLN 83 H GLN 83 -8.889 -2.977 1.677 590 HA GLN 83 HA GLN 83 -7.943 -0.192 1.643 591 HB2 GLN 83 HB2 GLN 83 -7.335 -2.389 3.634 592 HB3 GLN 83 HB3 GLN 83 -6.479 -0.850 3.579 593 HG2 GLN 83 HG2 GLN 83 -8.645 0.309 3.928 594 HG3 GLN 83 HG3 GLN 83 -9.409 -1.267 4.128 595 HE21 GLN 83 HE21 GLN 83 -9.880 -1.487 6.201 596 HE22 GLN 83 HE22 GLN 83 -8.812 -1.169 7.520 597 H LYS 84 H LYS 84 -6.817 -3.575 1.590 598 HA LYS 84 HA LYS 84 -4.964 -2.799 -0.547 599 HB2 LYS 84 HB2 LYS 84 -3.417 -3.047 1.191 600 HB3 LYS 84 HB3 LYS 84 -4.340 -4.331 1.959 601 HG2 LYS 84 HG2 LYS 84 -3.378 -5.959 0.694 602 HG3 LYS 84 HG3 LYS 84 -3.227 -4.917 -0.718 603 HD2 LYS 84 HD2 LYS 84 -1.027 -5.261 -0.061 604 HD3 LYS 84 HD3 LYS 84 -1.416 -3.688 0.622 605 HE2 LYS 84 HE2 LYS 84 -1.692 -6.223 2.224 606 HE3 LYS 84 HE3 LYS 84 -0.167 -5.361 2.105 607 HZ1 LYS 84 HZ1 LYS 84 -1.440 -3.345 2.869 608 HZ2 LYS 84 HZ2 LYS 84 -1.188 -4.550 4.030 609 HZ3 LYS 84 HZ3 LYS 84 -2.696 -4.395 3.274 610 H ASN 85 H ASN 85 -6.632 -5.433 1.125 611 HA ASN 85 HA ASN 85 -7.443 -7.456 0.463 612 HB2 ASN 85 HB2 ASN 85 -8.943 -5.709 -0.704 613 HB3 ASN 85 HB3 ASN 85 -8.105 -6.187 -2.180 614 HD21 ASN 85 HD21 ASN 85 -9.609 -7.311 -3.253 615 HD22 ASN 85 HD22 ASN 85 -10.438 -8.697 -2.639 616 H LYS 86 H LYS 86 -4.689 -7.154 0.008 617 HA LYS 86 HA LYS 86 -4.326 -9.044 -2.194 618 HB2 LYS 86 HB2 LYS 86 -3.429 -6.313 -2.165 619 HB3 LYS 86 HB3 LYS 86 -2.033 -7.380 -2.127 620 HG2 LYS 86 HG2 LYS 86 -2.394 -6.987 -4.375 621 HG3 LYS 86 HG3 LYS 86 -3.124 -8.572 -4.111 622 HD2 LYS 86 HD2 LYS 86 -5.280 -7.112 -3.671 623 HD3 LYS 86 HD3 LYS 86 -4.412 -5.941 -4.666 624 HE2 LYS 86 HE2 LYS 86 -5.144 -8.769 -5.421 625 HE3 LYS 86 HE3 LYS 86 -5.860 -7.288 -6.056 626 HZ1 LYS 86 HZ1 LYS 86 -3.570 -6.723 -6.873 627 HZ2 LYS 86 HZ2 LYS 86 -4.304 -8.037 -7.644 628 HZ3 LYS 86 HZ3 LYS 86 -3.103 -8.303 -6.482 629 H THR 87 H THR 87 -2.037 -9.970 -2.082 630 HA THR 87 HA THR 87 -1.245 -10.198 0.736 631 HB THR 87 HB THR 87 -0.507 -12.487 0.314 632 HG1 THR 87 HG1 THR 87 -1.242 -13.438 -1.753 633 HG21 THR 87 HG21 THR 87 -3.170 -12.874 -0.744 634 HG22 THR 87 HG22 THR 87 -3.153 -11.619 0.495 635 HG23 THR 87 HG23 THR 87 -2.538 -13.230 0.866 636 H ILE 88 H ILE 88 0.993 -10.575 1.117 637 HA ILE 88 HA ILE 88 2.667 -8.837 -0.285 638 HB ILE 88 HB ILE 88 3.051 -10.848 1.875 639 HG12 ILE 88 HG12 ILE 88 3.872 -8.848 3.076 640 HG13 ILE 88 HG13 ILE 88 3.688 -7.896 1.608 641 HG21 ILE 88 HG21 ILE 88 5.288 -9.662 0.274 642 HG22 ILE 88 HG22 ILE 88 5.034 -11.342 0.745 643 HG23 ILE 88 HG23 ILE 88 5.494 -10.145 1.957 644 HD11 ILE 88 HD11 ILE 88 1.857 -7.456 3.070 645 HD12 ILE 88 HD12 ILE 88 1.517 -9.177 3.248 646 HD13 ILE 88 HD13 ILE 88 1.256 -8.383 1.695 647 H GLY 89 H GLY 89 2.317 -12.354 -0.518 648 HA2 GLY 89 HA2 GLY 89 4.508 -12.841 -2.215 649 HA3 GLY 89 HA3 GLY 89 3.071 -13.849 -2.095 650 H ASP 90 H ASP 90 1.178 -11.904 -2.951 651 HA ASP 90 HA ASP 90 1.287 -12.268 -5.743 652 HB2 ASP 90 HB2 ASP 90 -0.815 -12.002 -4.479 653 HB3 ASP 90 HB3 ASP 90 -0.408 -10.316 -4.175 654 H LEU 91 H LEU 91 1.898 -9.372 -3.761 655 HA LEU 91 HA LEU 91 2.488 -7.744 -6.060 656 HB2 LEU 91 HB2 LEU 91 2.010 -7.287 -3.305 657 HB3 LEU 91 HB3 LEU 91 3.588 -6.622 -3.673 658 HG LEU 91 HG LEU 91 2.062 -4.835 -3.939 659 HD11 LEU 91 HD11 LEU 91 2.092 -5.520 -6.797 660 HD12 LEU 91 HD12 LEU 91 3.655 -5.612 -5.984 661 HD13 LEU 91 HD13 LEU 91 2.732 -4.110 -5.952 662 HD21 LEU 91 HD21 LEU 91 0.024 -6.241 -4.011 663 HD22 LEU 91 HD22 LEU 91 0.374 -6.617 -5.698 664 HD23 LEU 91 HD23 LEU 91 0.021 -4.956 -5.220 665 H LEU 92 H LEU 92 4.302 -9.838 -4.003 666 HA LEU 92 HA LEU 92 6.874 -8.771 -4.258 667 HB2 LEU 92 HB2 LEU 92 6.315 -10.575 -2.704 668 HB3 LEU 92 HB3 LEU 92 6.016 -11.662 -4.046 669 HG LEU 92 HG LEU 92 8.403 -11.517 -4.676 670 HD11 LEU 92 HD11 LEU 92 9.162 -9.455 -3.918 671 HD12 LEU 92 HD12 LEU 92 9.915 -10.601 -2.808 672 HD13 LEU 92 HD13 LEU 92 8.491 -9.691 -2.305 673 HD21 LEU 92 HD21 LEU 92 9.259 -12.840 -2.799 674 HD22 LEU 92 HD22 LEU 92 7.632 -13.334 -3.261 675 HD23 LEU 92 HD23 LEU 92 7.877 -12.342 -1.823 676 H GLN 93 H GLN 93 5.089 -10.974 -6.368 677 HA GLN 93 HA GLN 93 7.165 -11.551 -8.181 678 HB2 GLN 93 HB2 GLN 93 4.161 -11.474 -8.516 679 HB3 GLN 93 HB3 GLN 93 5.258 -12.075 -9.755 680 HG2 GLN 93 HG2 GLN 93 5.986 -13.857 -8.354 681 HG3 GLN 93 HG3 GLN 93 5.128 -13.189 -6.966 682 HE21 GLN 93 HE21 GLN 93 2.992 -13.591 -6.713 683 HE22 GLN 93 HE22 GLN 93 2.079 -14.630 -7.752 684 H VAL 94 H VAL 94 4.747 -8.974 -8.104 685 HA VAL 94 HA VAL 94 5.463 -7.795 -10.591 686 HB VAL 94 HB VAL 94 4.031 -6.598 -8.207 687 HG11 VAL 94 HG11 VAL 94 3.707 -5.533 -10.964 688 HG12 VAL 94 HG12 VAL 94 5.140 -5.072 -10.046 689 HG13 VAL 94 HG13 VAL 94 3.534 -4.719 -9.409 690 HG21 VAL 94 HG21 VAL 94 2.521 -8.156 -8.854 691 HG22 VAL 94 HG22 VAL 94 3.174 -8.268 -10.489 692 HG23 VAL 94 HG23 VAL 94 2.119 -6.925 -10.050 693 H LEU 95 H LEU 95 6.396 -7.243 -7.232 694 HA LEU 95 HA LEU 95 7.945 -4.930 -7.583 695 HB2 LEU 95 HB2 LEU 95 8.100 -7.140 -5.540 696 HB3 LEU 95 HB3 LEU 95 9.111 -5.709 -5.470 697 HG LEU 95 HG LEU 95 6.095 -5.619 -5.445 698 HD11 LEU 95 HD11 LEU 95 6.683 -4.926 -2.973 699 HD12 LEU 95 HD12 LEU 95 8.082 -5.961 -3.259 700 HD13 LEU 95 HD13 LEU 95 6.452 -6.616 -3.421 701 HD21 LEU 95 HD21 LEU 95 7.506 -3.421 -4.229 702 HD22 LEU 95 HD22 LEU 95 6.305 -3.408 -5.519 703 HD23 LEU 95 HD23 LEU 95 8.010 -3.643 -5.903 704 H GLN 96 H GLN 96 8.760 -8.342 -7.925 705 HA GLN 96 HA GLN 96 11.547 -8.076 -8.117 706 HB2 GLN 96 HB2 GLN 96 9.650 -10.105 -9.303 707 HB3 GLN 96 HB3 GLN 96 11.397 -10.236 -9.442 708 HG2 GLN 96 HG2 GLN 96 11.642 -10.434 -7.075 709 HG3 GLN 96 HG3 GLN 96 9.937 -10.066 -6.819 710 HE21 GLN 96 HE21 GLN 96 11.503 -12.400 -6.014 711 HE22 GLN 96 HE22 GLN 96 10.701 -13.767 -6.698 712 H GLU 97 H GLU 97 9.010 -7.813 -10.575 713 HA GLU 97 HA GLU 97 10.707 -7.599 -12.819 714 HB2 GLU 97 HB2 GLU 97 8.294 -8.044 -13.005 715 HB3 GLU 97 HB3 GLU 97 7.939 -6.435 -12.392 716 HG2 GLU 97 HG2 GLU 97 7.654 -6.445 -14.768 717 HG3 GLU 97 HG3 GLU 97 9.070 -5.475 -14.370 718 H MET 98 H MET 98 9.296 -5.156 -10.675 719 HA MET 98 HA MET 98 10.405 -2.913 -12.018 720 HB2 MET 98 HB2 MET 98 9.290 -3.254 -9.239 721 HB3 MET 98 HB3 MET 98 9.875 -1.712 -9.848 722 HG2 MET 98 HG2 MET 98 7.644 -3.340 -11.050 723 HG3 MET 98 HG3 MET 98 7.453 -1.908 -10.040 724 HE1 MET 98 HE1 MET 98 7.616 -3.446 -13.186 725 HE2 MET 98 HE2 MET 98 9.137 -2.833 -13.837 726 HE3 MET 98 HE3 MET 98 7.605 -2.153 -14.386 727 H GLY 99 H GLY 99 11.550 -4.934 -9.368 728 HA2 GLY 99 HA2 GLY 99 13.777 -5.234 -8.729 729 HA3 GLY 99 HA3 GLY 99 14.231 -3.890 -9.768 730 H HIS 100 H HIS 100 11.684 -3.650 -7.381 731 HA HIS 100 HA HIS 100 12.958 -1.399 -6.152 732 HB2 HIS 100 HB2 HIS 100 10.427 -1.841 -6.442 733 HB3 HIS 100 HB3 HIS 100 10.583 -2.837 -4.998 734 HD2 HIS 100 HD2 HIS 100 8.742 -0.579 -4.239 735 HE1 HIS 100 HE1 HIS 100 12.039 1.780 -3.093 736 H ARG 101 H ARG 101 14.800 -1.932 -5.146 737 HA ARG 101 HA ARG 101 15.271 -4.209 -3.573 738 HB2 ARG 101 HB2 ARG 101 16.601 -1.517 -3.707 739 HB3 ARG 101 HB3 ARG 101 17.223 -2.836 -2.721 740 HG2 ARG 101 HG2 ARG 101 17.553 -4.201 -4.688 741 HG3 ARG 101 HG3 ARG 101 16.818 -2.961 -5.707 742 HD2 ARG 101 HD2 ARG 101 19.225 -2.845 -5.889 743 HD3 ARG 101 HD3 ARG 101 18.621 -1.408 -5.066 744 HE ARG 101 HE ARG 101 19.346 -3.400 -3.188 745 HH11 ARG 101 HH11 ARG 101 21.251 -3.139 -1.962 746 HH12 ARG 101 HH12 ARG 101 22.473 -2.039 -2.506 747 HH21 ARG 101 HH21 ARG 101 20.716 -1.061 -5.373 748 HH22 ARG 101 HH22 ARG 101 22.167 -0.853 -4.451 749 H ARG 102 H ARG 102 14.260 -0.926 -2.659 750 HA ARG 102 HA ARG 102 14.512 -1.255 0.125 751 HB2 ARG 102 HB2 ARG 102 14.238 0.946 -0.983 752 HB3 ARG 102 HB3 ARG 102 12.567 0.533 -1.343 753 HG2 ARG 102 HG2 ARG 102 12.535 1.925 0.570 754 HG3 ARG 102 HG3 ARG 102 12.197 0.279 1.128 755 HD2 ARG 102 HD2 ARG 102 13.750 1.326 2.642 756 HD3 ARG 102 HD3 ARG 102 14.576 0.046 1.756 757 HE ARG 102 HE ARG 102 14.919 2.536 0.451 758 HH11 ARG 102 HH11 ARG 102 16.937 3.593 0.569 759 HH12 ARG 102 HH12 ARG 102 18.057 3.157 1.817 760 HH21 ARG 102 HH21 ARG 102 15.972 0.729 3.236 761 HH22 ARG 102 HH22 ARG 102 17.508 1.524 3.337 762 H ALA 103 H ALA 103 11.831 -1.858 -2.078 763 HA ALA 103 HA ALA 103 9.865 -2.452 -0.152 764 HB1 ALA 103 HB1 ALA 103 9.456 -2.062 -2.595 765 HB2 ALA 103 HB2 ALA 103 8.615 -3.457 -1.919 766 HB3 ALA 103 HB3 ALA 103 10.065 -3.689 -2.895 767 H ILE 104 H ILE 104 12.326 -4.430 -1.716 768 HA ILE 104 HA ILE 104 11.499 -6.942 -0.767 769 HB ILE 104 HB ILE 104 14.261 -5.957 -1.509 770 HG12 ILE 104 HG12 ILE 104 12.644 -5.896 -3.348 771 HG13 ILE 104 HG13 ILE 104 13.841 -7.159 -3.618 772 HG21 ILE 104 HG21 ILE 104 13.620 -8.303 -0.123 773 HG22 ILE 104 HG22 ILE 104 15.147 -7.907 -0.913 774 HG23 ILE 104 HG23 ILE 104 13.904 -8.797 -1.793 775 HD11 ILE 104 HD11 ILE 104 11.991 -8.333 -4.153 776 HD12 ILE 104 HD12 ILE 104 10.940 -7.365 -3.119 777 HD13 ILE 104 HD13 ILE 104 11.964 -8.618 -2.413 778 H HIS 105 H HIS 105 13.731 -4.537 0.610 779 HA HIS 105 HA HIS 105 14.549 -6.083 2.820 780 HB2 HIS 105 HB2 HIS 105 14.495 -3.113 2.329 781 HB3 HIS 105 HB3 HIS 105 15.082 -3.792 3.841 782 HD2 HIS 105 HD2 HIS 105 16.370 -2.908 0.415 783 HE1 HIS 105 HE1 HIS 105 19.235 -5.529 2.052 784 H LEU 106 H LEU 106 11.853 -3.768 2.477 785 HA LEU 106 HA LEU 106 11.096 -4.157 5.245 786 HB2 LEU 106 HB2 LEU 106 10.645 -2.179 3.325 787 HB3 LEU 106 HB3 LEU 106 9.063 -2.856 3.654 788 HG LEU 106 HG LEU 106 9.170 -1.137 5.192 789 HD11 LEU 106 HD11 LEU 106 8.932 -2.161 7.177 790 HD12 LEU 106 HD12 LEU 106 10.509 -2.946 7.085 791 HD13 LEU 106 HD13 LEU 106 9.134 -3.626 6.215 792 HD21 LEU 106 HD21 LEU 106 11.412 -0.396 4.759 793 HD22 LEU 106 HD22 LEU 106 12.083 -1.806 5.581 794 HD23 LEU 106 HD23 LEU 106 11.206 -0.583 6.500 795 H ILE 107 H ILE 107 10.239 -5.605 2.218 796 HA ILE 107 HA ILE 107 7.654 -6.511 2.913 797 HB ILE 107 HB ILE 107 8.794 -6.450 0.582 798 HG12 ILE 107 HG12 ILE 107 7.154 -8.895 1.212 799 HG13 ILE 107 HG13 ILE 107 6.473 -7.272 1.210 800 HG21 ILE 107 HG21 ILE 107 9.511 -9.262 1.401 801 HG22 ILE 107 HG22 ILE 107 10.665 -7.947 1.174 802 HG23 ILE 107 HG23 ILE 107 9.723 -8.543 -0.195 803 HD11 ILE 107 HD11 ILE 107 6.901 -9.030 -0.977 804 HD12 ILE 107 HD12 ILE 107 7.876 -7.580 -1.213 805 HD13 ILE 107 HD13 ILE 107 6.136 -7.441 -0.962 806 H THR 108 H THR 108 10.768 -7.551 3.881 807 HA THR 108 HA THR 108 10.171 -10.265 4.482 808 HB THR 108 HB THR 108 12.234 -10.250 5.811 809 HG1 THR 108 HG1 THR 108 12.641 -7.529 5.140 810 HG21 THR 108 HG21 THR 108 12.399 -8.852 3.140 811 HG22 THR 108 HG22 THR 108 12.519 -10.583 3.457 812 HG23 THR 108 HG23 THR 108 13.797 -9.497 4.002 813 H ASN 109 H ASN 109 9.179 -7.388 5.942 814 HA ASN 109 HA ASN 109 9.155 -8.195 8.674 815 HB2 ASN 109 HB2 ASN 109 8.940 -5.819 7.707 816 HB3 ASN 109 HB3 ASN 109 7.240 -6.208 7.460 817 HD21 ASN 109 HD21 ASN 109 6.419 -4.788 8.918 818 HD22 ASN 109 HD22 ASN 109 6.667 -4.914 10.622 819 H TYR 110 H TYR 110 7.066 -8.797 5.974 820 HA TYR 110 HA TYR 110 4.719 -9.521 7.410 821 HB2 TYR 110 HB2 TYR 110 4.546 -8.952 5.079 822 HB3 TYR 110 HB3 TYR 110 5.712 -10.189 4.630 823 HD1 TYR 110 HD1 TYR 110 2.251 -9.688 5.928 824 HD2 TYR 110 HD2 TYR 110 5.027 -12.373 4.131 825 HE1 TYR 110 HE1 TYR 110 0.435 -11.282 5.506 826 HE2 TYR 110 HE2 TYR 110 3.207 -13.967 3.700 827 HH TYR 110 HH TYR 110 0.560 -14.150 5.131 828 H GLY 111 H GLY 111 4.269 -11.342 8.515 829 HA2 GLY 111 HA2 GLY 111 5.502 -13.863 7.816 830 HA3 GLY 111 HA3 GLY 111 6.042 -13.203 9.351 831 H ALA 112 H ALA 112 2.868 -13.412 7.736 832 HA ALA 112 HA ALA 112 1.884 -15.112 9.887 833 HB1 ALA 112 HB1 ALA 112 0.535 -12.494 9.224 834 HB2 ALA 112 HB2 ALA 112 1.498 -12.798 10.669 835 HB3 ALA 112 HB3 ALA 112 -0.003 -13.685 10.407 836 H VAL 113 H VAL 113 -0.107 -16.198 9.343 837 HA VAL 113 HA VAL 113 -0.506 -16.320 6.439 838 HB VAL 113 HB VAL 113 -1.494 -18.261 8.541 839 HG11 VAL 113 HG11 VAL 113 -1.806 -19.785 6.642 840 HG12 VAL 113 HG12 VAL 113 -1.317 -18.499 5.538 841 HG13 VAL 113 HG13 VAL 113 -2.792 -18.331 6.491 842 HG21 VAL 113 HG21 VAL 113 0.507 -19.234 8.593 843 HG22 VAL 113 HG22 VAL 113 1.142 -17.851 7.701 844 HG23 VAL 113 HG23 VAL 113 0.590 -19.282 6.832 845 H LEU 114 H LEU 114 -1.853 -14.566 6.117 846 HA LEU 114 HA LEU 114 -4.574 -14.872 7.197 847 HB2 LEU 114 HB2 LEU 114 -3.105 -12.274 6.730 848 HB3 LEU 114 HB3 LEU 114 -4.788 -12.407 7.191 849 HG LEU 114 HG LEU 114 -2.456 -13.322 8.881 850 HD11 LEU 114 HD11 LEU 114 -2.647 -11.380 10.125 851 HD12 LEU 114 HD12 LEU 114 -4.256 -11.015 9.502 852 HD13 LEU 114 HD13 LEU 114 -2.842 -10.797 8.473 853 HD21 LEU 114 HD21 LEU 114 -5.430 -13.352 9.274 854 HD22 LEU 114 HD22 LEU 114 -4.324 -13.303 10.646 855 HD23 LEU 114 HD23 LEU 114 -4.265 -14.654 9.512 856 H SER 115 H SER 115 -6.195 -14.750 5.709 857 HA SER 115 HA SER 115 -5.460 -13.900 2.988 858 HB2 SER 115 HB2 SER 115 -7.211 -16.259 3.720 859 HB3 SER 115 HB3 SER 115 -6.881 -15.697 2.082 860 HG SER 115 HG SER 115 -4.576 -16.067 3.425 861 HA PRO 116 HA PRO 116 -9.021 -11.274 3.806 862 HB2 PRO 116 HB2 PRO 116 -8.839 -9.805 1.535 863 HB3 PRO 116 HB3 PRO 116 -7.777 -9.546 2.925 864 HG2 PRO 116 HG2 PRO 116 -7.249 -11.072 0.401 865 HG3 PRO 116 HG3 PRO 116 -6.197 -9.924 1.250 866 HD2 PRO 116 HD2 PRO 116 -5.908 -12.604 1.486 867 HD3 PRO 116 HD3 PRO 116 -5.547 -11.488 2.820 868 H SER 117 H SER 117 -11.153 -11.235 3.093 869 HA SER 117 HA SER 117 -11.764 -12.794 0.677 870 HB2 SER 117 HB2 SER 117 -13.170 -13.027 3.348 871 HB3 SER 117 HB3 SER 117 -13.687 -13.816 1.858 872 HG SER 117 HG SER 117 -11.048 -14.233 2.576 873 H GLU 118 H GLU 118 -13.534 -12.133 -0.508 874 HA GLU 118 HA GLU 118 -15.001 -9.777 0.459 875 HB2 GLU 118 HB2 GLU 118 -13.831 -10.116 -2.316 876 HB3 GLU 118 HB3 GLU 118 -14.915 -8.820 -1.831 877 HG2 GLU 118 HG2 GLU 118 -12.235 -9.309 -0.556 878 HG3 GLU 118 HG3 GLU 118 -12.491 -8.215 -1.915 879 H LYS 119 H LYS 119 -17.134 -9.585 -0.312 880 HA LYS 119 HA LYS 119 -18.168 -12.034 -1.584 881 HB2 LYS 119 HB2 LYS 119 -18.904 -11.755 0.756 882 HB3 LYS 119 HB3 LYS 119 -19.576 -10.180 0.352 883 HG2 LYS 119 HG2 LYS 119 -21.179 -11.229 -1.151 884 HG3 LYS 119 HG3 LYS 119 -20.488 -12.813 -0.793 885 HD2 LYS 119 HD2 LYS 119 -21.103 -12.534 1.570 886 HD3 LYS 119 HD3 LYS 119 -21.822 -10.967 1.189 887 HE2 LYS 119 HE2 LYS 119 -22.684 -13.617 0.032 888 HE3 LYS 119 HE3 LYS 119 -23.500 -12.763 1.343 889 HZ1 LYS 119 HZ1 LYS 119 -23.498 -12.216 -1.512 890 HZ2 LYS 119 HZ2 LYS 119 -23.437 -10.860 -0.502 891 HZ3 LYS 119 HZ3 LYS 119 -24.711 -11.962 -0.360 892 H SER 120 H SER 120 -19.115 -11.800 -3.508 893 HA SER 120 HA SER 120 -20.121 -9.139 -4.262 894 HB2 SER 120 HB2 SER 120 -18.589 -11.072 -6.024 895 HB3 SER 120 HB3 SER 120 -19.326 -9.566 -6.572 896 HG SER 120 HG SER 120 -17.726 -9.191 -4.406 897 H TYR 121 H TYR 121 -21.979 -9.095 -5.528 898 HA TYR 121 HA TYR 121 -23.760 -11.282 -5.229 899 HB2 TYR 121 HB2 TYR 121 -23.954 -8.729 -6.832 900 HB3 TYR 121 HB3 TYR 121 -25.261 -9.903 -6.733 901 HD1 TYR 121 HD1 TYR 121 -23.447 -7.273 -4.979 902 HD2 TYR 121 HD2 TYR 121 -26.452 -10.264 -4.612 903 HE1 TYR 121 HE1 TYR 121 -24.240 -6.216 -2.905 904 HE2 TYR 121 HE2 TYR 121 -27.253 -9.212 -2.540 905 HH TYR 121 HH TYR 121 -25.720 -7.380 -0.697 906 H GLN 122 H GLN 122 -21.819 -10.085 -7.902 907 HA GLN 122 HA GLN 122 -22.081 -12.630 -9.252 908 HB2 GLN 122 HB2 GLN 122 -22.758 -11.639 -11.402 909 HB3 GLN 122 HB3 GLN 122 -23.989 -11.413 -10.169 910 HG2 GLN 122 HG2 GLN 122 -23.231 -9.108 -9.843 911 HG3 GLN 122 HG3 GLN 122 -22.008 -9.340 -11.093 912 HE21 GLN 122 HE21 GLN 122 -24.918 -8.020 -10.538 913 HE22 GLN 122 HE22 GLN 122 -25.594 -8.089 -12.125 914 H GLU 123 H GLU 123 -20.554 -12.845 -11.037 915 HA GLU 123 HA GLU 123 -18.466 -12.741 -11.907 916 HB2 GLU 123 HB2 GLU 123 -18.915 -9.787 -11.454 917 HB3 GLU 123 HB3 GLU 123 -17.521 -10.436 -12.309 918 HG2 GLU 123 HG2 GLU 123 -20.404 -10.761 -13.119 919 HG3 GLU 123 HG3 GLU 123 -19.230 -9.674 -13.857 920 H GLY 124 H GLY 124 -17.358 -9.950 -10.261 921 HA2 GLY 124 HA2 GLY 124 -16.566 -10.335 -7.830 922 HA3 GLY 124 HA3 GLY 124 -15.684 -11.669 -8.563 Start of MODEL 15 1 H1 SER 1 HT1 SER 1 21.345 -9.404 -6.277 2 H2 SER 1 HT2 SER 1 19.870 -9.641 -5.486 3 H3 SER 1 HT3 SER 1 21.003 -10.894 -5.550 4 HA SER 1 HA SER 1 21.392 -10.165 -3.454 5 HB2 SER 1 HB2 SER 1 23.104 -8.032 -4.607 6 HB3 SER 1 HB3 SER 1 23.529 -9.360 -3.523 7 HG SER 1 HG SER 1 22.748 -10.303 -5.925 8 H GLU 2 H GLU 2 19.007 -8.966 -4.112 9 HA GLU 2 HA GLU 2 17.569 -7.319 -3.511 10 HB2 GLU 2 HB2 GLU 2 19.772 -6.707 -1.538 11 HB3 GLU 2 HB3 GLU 2 18.175 -5.973 -1.491 12 HG2 GLU 2 HG2 GLU 2 17.165 -8.168 -1.160 13 HG3 GLU 2 HG3 GLU 2 18.758 -8.918 -1.235 14 H PHE 3 H PHE 3 18.934 -6.688 -5.787 15 HA PHE 3 HA PHE 3 20.131 -4.095 -5.646 16 HB2 PHE 3 HB2 PHE 3 19.152 -5.772 -7.954 17 HB3 PHE 3 HB3 PHE 3 19.810 -4.156 -8.181 18 HD1 PHE 3 HD1 PHE 3 20.560 -7.624 -7.809 19 HD2 PHE 3 HD2 PHE 3 22.172 -3.713 -7.351 20 HE1 PHE 3 HE1 PHE 3 22.836 -8.559 -7.861 21 HE2 PHE 3 HE2 PHE 3 24.450 -4.640 -7.403 22 HZ PHE 3 HZ PHE 3 24.783 -7.066 -7.660 23 H GLY 4 H GLY 4 19.278 -2.104 -6.233 24 HA2 GLY 4 HA2 GLY 4 16.675 -1.718 -7.256 25 HA3 GLY 4 HA3 GLY 4 16.639 -1.573 -5.506 26 H SER 5 H SER 5 15.877 0.632 -6.338 27 HA SER 5 HA SER 5 18.196 2.377 -6.854 28 HB2 SER 5 HB2 SER 5 16.452 2.538 -8.560 29 HB3 SER 5 HB3 SER 5 15.242 2.873 -7.322 30 HG SER 5 HG SER 5 15.808 4.845 -8.034 31 H MET 6 H MET 6 18.876 3.668 -5.265 32 HA MET 6 HA MET 6 17.344 3.796 -2.802 33 HB2 MET 6 HB2 MET 6 20.130 4.709 -3.523 34 HB3 MET 6 HB3 MET 6 19.403 4.988 -1.947 35 HG2 MET 6 HG2 MET 6 19.229 2.617 -1.558 36 HG3 MET 6 HG3 MET 6 19.813 2.275 -3.184 37 HE1 MET 6 HE1 MET 6 20.493 3.523 0.306 38 HE2 MET 6 HE2 MET 6 21.299 4.917 -0.415 39 HE3 MET 6 HE3 MET 6 22.246 3.688 0.427 40 H ALA 7 H ALA 7 15.687 5.093 -4.028 41 HA ALA 7 HA ALA 7 16.162 7.917 -3.485 42 HB1 ALA 7 HB1 ALA 7 16.563 7.158 -6.016 43 HB2 ALA 7 HB2 ALA 7 15.857 8.717 -5.593 44 HB3 ALA 7 HB3 ALA 7 14.814 7.377 -6.069 45 H GLY 8 H GLY 8 14.236 9.099 -3.107 46 HA2 GLY 8 HA2 GLY 8 11.956 9.398 -2.738 47 HA3 GLY 8 HA3 GLY 8 11.672 7.786 -3.375 48 H ASN 9 H ASN 9 14.078 7.600 -1.099 49 HA ASN 9 HA ASN 9 12.429 6.205 0.756 50 HB2 ASN 9 HB2 ASN 9 15.321 7.078 0.860 51 HB3 ASN 9 HB3 ASN 9 14.552 6.167 2.154 52 HD21 ASN 9 HD21 ASN 9 16.776 5.280 0.709 53 HD22 ASN 9 HD22 ASN 9 16.317 3.874 -0.183 54 H CYS 10 H CYS 10 11.782 6.775 2.820 55 HA CYS 10 HA CYS 10 12.414 9.411 3.852 56 HB2 CYS 10 HB2 CYS 10 10.067 10.082 4.082 57 HB3 CYS 10 HB3 CYS 10 10.484 9.839 2.389 58 HG CYS 10 HG CYS 10 8.785 7.951 1.867 59 H GLY 11 H GLY 11 11.410 9.720 6.059 60 HA2 GLY 11 HA2 GLY 11 11.675 7.206 7.514 61 HA3 GLY 11 HA3 GLY 11 11.687 8.817 8.213 62 H ALA 12 H ALA 12 9.714 6.165 7.134 63 HA ALA 12 HA ALA 12 7.518 7.164 8.768 64 HB1 ALA 12 HB1 ALA 12 5.957 6.436 6.797 65 HB2 ALA 12 HB2 ALA 12 7.378 6.779 5.811 66 HB3 ALA 12 HB3 ALA 12 6.674 8.047 6.811 67 H ARG 13 H ARG 13 6.037 5.540 9.402 68 HA ARG 13 HA ARG 13 5.463 3.491 10.183 69 HB2 ARG 13 HB2 ARG 13 6.174 3.047 7.351 70 HB3 ARG 13 HB3 ARG 13 6.118 1.605 8.352 71 HG2 ARG 13 HG2 ARG 13 3.986 1.972 7.265 72 HG3 ARG 13 HG3 ARG 13 3.823 2.151 9.012 73 HD2 ARG 13 HD2 ARG 13 3.753 4.526 8.840 74 HD3 ARG 13 HD3 ARG 13 4.216 4.477 7.140 75 HE ARG 13 HE ARG 13 1.871 3.050 7.308 76 HH11 ARG 13 HH11 ARG 13 -0.171 3.968 6.872 77 HH12 ARG 13 HH12 ARG 13 -0.397 5.676 7.056 78 HH21 ARG 13 HH21 ARG 13 2.903 6.291 8.056 79 HH22 ARG 13 HH22 ARG 13 1.357 7.001 7.733 80 H GLY 14 H GLY 14 7.851 4.367 11.198 81 HA2 GLY 14 HA2 GLY 14 9.726 2.128 11.070 82 HA3 GLY 14 HA3 GLY 14 10.006 3.670 11.867 83 H ALA 15 H ALA 15 6.979 2.593 12.700 84 HA ALA 15 HA ALA 15 7.996 1.521 15.242 85 HB1 ALA 15 HB1 ALA 15 5.168 2.328 15.087 86 HB2 ALA 15 HB2 ALA 15 6.341 3.629 14.885 87 HB3 ALA 15 HB3 ALA 15 6.370 2.635 16.340 88 H LEU 16 H LEU 16 5.567 0.420 16.142 89 HA LEU 16 HA LEU 16 5.680 -2.154 14.962 90 HB2 LEU 16 HB2 LEU 16 3.599 -2.537 16.415 91 HB3 LEU 16 HB3 LEU 16 5.109 -2.164 17.223 92 HG LEU 16 HG LEU 16 3.752 0.293 16.742 93 HD11 LEU 16 HD11 LEU 16 2.043 -1.797 18.083 94 HD12 LEU 16 HD12 LEU 16 1.705 -1.008 16.540 95 HD13 LEU 16 HD13 LEU 16 1.709 -0.066 18.031 96 HD21 LEU 16 HD21 LEU 16 5.367 -0.151 18.525 97 HD22 LEU 16 HD22 LEU 16 4.225 -1.260 19.285 98 HD23 LEU 16 HD23 LEU 16 3.844 0.459 19.172 99 H SER 17 H SER 17 3.818 -3.324 14.029 100 HA SER 17 HA SER 17 2.708 -1.830 11.863 101 HB2 SER 17 HB2 SER 17 1.542 -4.043 11.384 102 HB3 SER 17 HB3 SER 17 3.307 -4.081 11.410 103 HG SER 17 HG SER 17 1.723 -4.707 13.675 104 H ALA 18 H ALA 18 1.094 -0.451 12.184 105 HA ALA 18 HA ALA 18 -1.004 -1.025 14.123 106 HB1 ALA 18 HB1 ALA 18 0.039 1.250 13.915 107 HB2 ALA 18 HB2 ALA 18 -1.721 1.231 13.801 108 HB3 ALA 18 HB3 ALA 18 -0.745 1.393 12.343 109 H HIS 19 H HIS 19 -0.369 -1.676 10.951 110 HA HIS 19 HA HIS 19 -3.188 -1.650 10.130 111 HB2 HIS 19 HB2 HIS 19 -0.669 -1.848 8.465 112 HB3 HIS 19 HB3 HIS 19 -2.304 -1.906 7.819 113 HD2 HIS 19 HD2 HIS 19 -3.532 0.523 7.480 114 HE1 HIS 19 HE1 HIS 19 -0.390 2.915 8.956 115 H THR 20 H THR 20 -1.713 -3.723 11.825 116 HA THR 20 HA THR 20 -1.425 -6.034 10.189 117 HB THR 20 HB THR 20 -0.177 -6.071 12.181 118 HG1 THR 20 HG1 THR 20 -2.373 -7.762 12.807 119 HG21 THR 20 HG21 THR 20 -1.614 -6.147 14.420 120 HG22 THR 20 HG22 THR 20 -2.698 -5.148 13.453 121 HG23 THR 20 HG23 THR 20 -1.035 -4.630 13.730 122 H LEU 21 H LEU 21 -3.006 -7.049 9.195 123 HA LEU 21 HA LEU 21 -5.262 -8.107 10.596 124 HB2 LEU 21 HB2 LEU 21 -5.575 -5.603 9.224 125 HB3 LEU 21 HB3 LEU 21 -6.506 -6.834 8.395 126 HG LEU 21 HG LEU 21 -6.926 -6.989 11.255 127 HD11 LEU 21 HD11 LEU 21 -6.493 -4.674 11.407 128 HD12 LEU 21 HD12 LEU 21 -8.248 -4.846 11.361 129 HD13 LEU 21 HD13 LEU 21 -7.374 -4.335 9.916 130 HD21 LEU 21 HD21 LEU 21 -8.425 -8.025 9.712 131 HD22 LEU 21 HD22 LEU 21 -8.692 -6.502 8.863 132 HD23 LEU 21 HD23 LEU 21 -9.295 -6.714 10.506 133 H LEU 22 H LEU 22 -6.767 -9.243 8.820 134 HA LEU 22 HA LEU 22 -4.948 -10.886 7.302 135 HB2 LEU 22 HB2 LEU 22 -7.689 -11.083 8.245 136 HB3 LEU 22 HB3 LEU 22 -7.507 -11.679 6.607 137 HG LEU 22 HG LEU 22 -5.610 -13.124 7.468 138 HD11 LEU 22 HD11 LEU 22 -6.804 -12.462 10.154 139 HD12 LEU 22 HD12 LEU 22 -5.267 -11.830 9.561 140 HD13 LEU 22 HD13 LEU 22 -5.469 -13.563 9.817 141 HD21 LEU 22 HD21 LEU 22 -7.826 -14.011 6.957 142 HD22 LEU 22 HD22 LEU 22 -8.373 -13.601 8.582 143 HD23 LEU 22 HD23 LEU 22 -7.122 -14.822 8.354 144 H PHE 23 H PHE 23 -7.880 -9.034 6.337 145 HA PHE 23 HA PHE 23 -7.296 -9.309 3.556 146 HB2 PHE 23 HB2 PHE 23 -9.227 -7.541 5.058 147 HB3 PHE 23 HB3 PHE 23 -9.076 -7.502 3.303 148 HD1 PHE 23 HD1 PHE 23 -10.346 -9.336 6.169 149 HD2 PHE 23 HD2 PHE 23 -9.722 -9.451 1.960 150 HE1 PHE 23 HE1 PHE 23 -11.922 -11.218 5.989 151 HE2 PHE 23 HE2 PHE 23 -11.298 -11.330 1.774 152 HZ PHE 23 HZ PHE 23 -12.401 -12.215 3.791 153 H ASP 24 H ASP 24 -6.718 -6.883 5.970 154 HA ASP 24 HA ASP 24 -5.150 -5.326 4.041 155 HB2 ASP 24 HB2 ASP 24 -5.337 -3.456 5.794 156 HB3 ASP 24 HB3 ASP 24 -6.754 -3.800 4.811 157 H LEU 25 H LEU 25 -3.603 -7.051 4.457 158 HA LEU 25 HA LEU 25 -2.325 -7.732 6.774 159 HB2 LEU 25 HB2 LEU 25 -1.133 -7.273 4.035 160 HB3 LEU 25 HB3 LEU 25 -0.308 -8.109 5.337 161 HG LEU 25 HG LEU 25 -2.926 -9.032 4.157 162 HD11 LEU 25 HD11 LEU 25 -1.095 -10.863 3.369 163 HD12 LEU 25 HD12 LEU 25 -0.167 -9.368 3.229 164 HD13 LEU 25 HD13 LEU 25 -1.693 -9.545 2.361 165 HD21 LEU 25 HD21 LEU 25 -2.133 -11.203 5.223 166 HD22 LEU 25 HD22 LEU 25 -2.698 -9.941 6.314 167 HD23 LEU 25 HD23 LEU 25 -0.969 -10.216 6.105 168 HA PRO 26 HA PRO 26 0.038 -4.597 8.797 169 HB2 PRO 26 HB2 PRO 26 2.620 -5.689 8.131 170 HB3 PRO 26 HB3 PRO 26 1.756 -5.770 9.666 171 HG2 PRO 26 HG2 PRO 26 1.934 -7.761 7.500 172 HG3 PRO 26 HG3 PRO 26 1.569 -7.995 9.218 173 HD2 PRO 26 HD2 PRO 26 -0.316 -8.256 7.326 174 HD3 PRO 26 HD3 PRO 26 -0.690 -7.567 8.921 175 HA PRO 27 HA PRO 27 1.426 -1.319 6.252 176 HB2 PRO 27 HB2 PRO 27 3.997 -1.332 7.762 177 HB3 PRO 27 HB3 PRO 27 2.908 0.016 7.386 178 HG2 PRO 27 HG2 PRO 27 2.910 -1.056 9.800 179 HG3 PRO 27 HG3 PRO 27 1.385 -0.586 9.024 180 HD2 PRO 27 HD2 PRO 27 2.554 -3.309 9.410 181 HD3 PRO 27 HD3 PRO 27 0.859 -2.788 9.457 182 H ALA 28 H ALA 28 3.247 -4.205 6.285 183 HA ALA 28 HA ALA 28 5.425 -3.585 4.672 184 HB1 ALA 28 HB1 ALA 28 3.844 -6.065 5.166 185 HB2 ALA 28 HB2 ALA 28 5.537 -5.716 5.526 186 HB3 ALA 28 HB3 ALA 28 5.039 -6.052 3.869 187 H LEU 29 H LEU 29 2.033 -4.173 3.788 188 HA LEU 29 HA LEU 29 2.801 -3.701 0.989 189 HB2 LEU 29 HB2 LEU 29 1.519 -5.820 1.683 190 HB3 LEU 29 HB3 LEU 29 0.129 -4.773 1.831 191 HG LEU 29 HG LEU 29 0.103 -4.289 -0.479 192 HD11 LEU 29 HD11 LEU 29 2.923 -4.978 -0.326 193 HD12 LEU 29 HD12 LEU 29 2.067 -3.926 -1.450 194 HD13 LEU 29 HD13 LEU 29 2.112 -5.664 -1.730 195 HD21 LEU 29 HD21 LEU 29 -0.153 -6.867 0.465 196 HD22 LEU 29 HD22 LEU 29 0.882 -7.043 -0.953 197 HD23 LEU 29 HD23 LEU 29 -0.696 -6.273 -1.104 198 H LEU 30 H LEU 30 -0.336 -3.148 2.613 199 HA LEU 30 HA LEU 30 -0.913 -0.850 1.099 200 HB2 LEU 30 HB2 LEU 30 -2.265 -2.453 2.989 201 HB3 LEU 30 HB3 LEU 30 -2.310 -0.817 3.622 202 HG LEU 30 HG LEU 30 -3.397 -1.799 0.986 203 HD11 LEU 30 HD11 LEU 30 -4.858 -0.325 3.143 204 HD12 LEU 30 HD12 LEU 30 -4.655 -2.076 3.201 205 HD13 LEU 30 HD13 LEU 30 -5.506 -1.332 1.848 206 HD21 LEU 30 HD21 LEU 30 -3.032 0.233 0.149 207 HD22 LEU 30 HD22 LEU 30 -2.444 0.836 1.698 208 HD23 LEU 30 HD23 LEU 30 -4.173 0.850 1.343 209 H GLY 31 H GLY 31 0.222 -1.065 4.497 210 HA2 GLY 31 HA2 GLY 31 0.064 1.676 5.053 211 HA3 GLY 31 HA3 GLY 31 1.109 0.541 5.883 212 H GLU 32 H GLU 32 2.985 -0.136 4.041 213 HA GLU 32 HA GLU 32 4.597 2.208 3.985 214 HB2 GLU 32 HB2 GLU 32 5.432 -0.116 4.341 215 HB3 GLU 32 HB3 GLU 32 5.140 -0.433 2.634 216 HG2 GLU 32 HG2 GLU 32 6.835 1.901 3.334 217 HG3 GLU 32 HG3 GLU 32 7.514 0.292 3.550 218 H LEU 33 H LEU 33 2.961 0.366 1.410 219 HA LEU 33 HA LEU 33 4.126 1.902 -0.660 220 HB2 LEU 33 HB2 LEU 33 1.675 0.140 -0.692 221 HB3 LEU 33 HB3 LEU 33 2.360 0.911 -2.117 222 HG LEU 33 HG LEU 33 3.745 -1.118 -0.364 223 HD11 LEU 33 HD11 LEU 33 1.870 -1.877 -1.901 224 HD12 LEU 33 HD12 LEU 33 3.435 -2.668 -2.084 225 HD13 LEU 33 HD13 LEU 33 2.935 -1.429 -3.232 226 HD21 LEU 33 HD21 LEU 33 5.224 -0.974 -2.616 227 HD22 LEU 33 HD22 LEU 33 5.589 -0.086 -1.136 228 HD23 LEU 33 HD23 LEU 33 4.724 0.709 -2.453 229 H CYS 34 H CYS 34 1.055 2.299 1.105 230 HA CYS 34 HA CYS 34 0.191 4.392 -0.643 231 HB2 CYS 34 HB2 CYS 34 -1.638 4.746 0.841 232 HB3 CYS 34 HB3 CYS 34 -1.365 3.010 0.756 233 HG CYS 34 HG CYS 34 -0.379 2.688 3.238 234 H ALA 35 H ALA 35 2.079 4.294 2.317 235 HA ALA 35 HA ALA 35 1.924 7.164 2.680 236 HB1 ALA 35 HB1 ALA 35 3.933 6.124 4.340 237 HB2 ALA 35 HB2 ALA 35 2.638 4.927 4.302 238 HB3 ALA 35 HB3 ALA 35 2.289 6.588 4.779 239 H VAL 36 H VAL 36 4.616 4.881 2.087 240 HA VAL 36 HA VAL 36 6.557 6.902 1.771 241 HB VAL 36 HB VAL 36 6.574 4.004 0.931 242 HG11 VAL 36 HG11 VAL 36 8.222 5.943 -0.136 243 HG12 VAL 36 HG12 VAL 36 8.571 4.214 -0.058 244 HG13 VAL 36 HG13 VAL 36 9.171 5.295 1.201 245 HG21 VAL 36 HG21 VAL 36 7.879 5.483 3.216 246 HG22 VAL 36 HG22 VAL 36 8.079 3.767 2.857 247 HG23 VAL 36 HG23 VAL 36 6.498 4.391 3.329 248 H LEU 37 H LEU 37 4.701 5.086 -0.697 249 HA LEU 37 HA LEU 37 6.061 6.382 -2.854 250 HB2 LEU 37 HB2 LEU 37 3.423 4.927 -2.913 251 HB3 LEU 37 HB3 LEU 37 4.352 5.420 -4.313 252 HG LEU 37 HG LEU 37 5.172 3.352 -2.273 253 HD11 LEU 37 HD11 LEU 37 4.999 1.847 -4.259 254 HD12 LEU 37 HD12 LEU 37 4.214 3.172 -5.117 255 HD13 LEU 37 HD13 LEU 37 3.464 2.488 -3.675 256 HD21 LEU 37 HD21 LEU 37 7.241 4.020 -2.913 257 HD22 LEU 37 HD22 LEU 37 6.659 4.768 -4.402 258 HD23 LEU 37 HD23 LEU 37 6.880 3.020 -4.320 259 H ASP 38 H ASP 38 3.509 7.310 -0.787 260 HA ASP 38 HA ASP 38 2.021 9.004 -2.434 261 HB2 ASP 38 HB2 ASP 38 1.298 8.416 -0.165 262 HB3 ASP 38 HB3 ASP 38 2.656 9.310 0.515 263 H SER 39 H SER 39 5.048 9.517 -0.729 264 HA SER 39 HA SER 39 5.177 12.312 -1.514 265 HB2 SER 39 HB2 SER 39 7.168 10.572 -0.038 266 HB3 SER 39 HB3 SER 39 7.333 12.310 -0.296 267 HG SER 39 HG SER 39 4.921 11.644 0.782 268 H CYS 40 H CYS 40 5.523 9.642 -3.232 269 HA CYS 40 HA CYS 40 8.084 9.821 -4.409 270 HB2 CYS 40 HB2 CYS 40 6.667 7.815 -4.567 271 HB3 CYS 40 HB3 CYS 40 5.534 8.698 -5.593 272 HG CYS 40 HG CYS 40 7.058 6.919 -7.141 273 H ASP 41 H ASP 41 8.800 10.778 -6.253 274 HA ASP 41 HA ASP 41 7.009 12.672 -7.596 275 HB2 ASP 41 HB2 ASP 41 8.601 13.727 -5.838 276 HB3 ASP 41 HB3 ASP 41 9.870 13.403 -7.018 277 H GLY 42 H GLY 42 7.528 10.203 -8.575 278 HA2 GLY 42 HA2 GLY 42 7.913 9.511 -10.794 279 HA3 GLY 42 HA3 GLY 42 9.026 10.851 -10.995 280 H ALA 43 H ALA 43 10.122 9.766 -8.214 281 HA ALA 43 HA ALA 43 12.368 8.450 -9.293 282 HB1 ALA 43 HB1 ALA 43 12.692 9.529 -7.233 283 HB2 ALA 43 HB2 ALA 43 12.790 7.807 -6.859 284 HB3 ALA 43 HB3 ALA 43 11.320 8.706 -6.490 285 H LEU 44 H LEU 44 9.494 7.207 -7.655 286 HA LEU 44 HA LEU 44 10.202 4.489 -8.560 287 HB2 LEU 44 HB2 LEU 44 8.376 5.287 -6.268 288 HB3 LEU 44 HB3 LEU 44 8.697 3.646 -6.784 289 HG LEU 44 HG LEU 44 10.060 3.825 -4.934 290 HD11 LEU 44 HD11 LEU 44 12.358 3.956 -5.655 291 HD12 LEU 44 HD12 LEU 44 11.879 4.807 -7.125 292 HD13 LEU 44 HD13 LEU 44 11.390 3.131 -6.877 293 HD21 LEU 44 HD21 LEU 44 10.464 6.682 -5.746 294 HD22 LEU 44 HD22 LEU 44 11.502 5.901 -4.553 295 HD23 LEU 44 HD23 LEU 44 9.768 6.040 -4.259 296 H GLY 45 H GLY 45 7.958 7.064 -8.628 297 HA2 GLY 45 HA2 GLY 45 6.185 7.441 -10.056 298 HA3 GLY 45 HA3 GLY 45 6.407 5.819 -10.701 299 H TRP 46 H TRP 46 4.391 7.765 -8.833 300 HA TRP 46 HA TRP 46 3.392 6.064 -6.887 301 HB2 TRP 46 HB2 TRP 46 1.115 7.237 -7.439 302 HB3 TRP 46 HB3 TRP 46 2.464 8.177 -6.784 303 HD1 TRP 46 HD1 TRP 46 0.486 7.643 -10.037 304 HE1 TRP 46 HE1 TRP 46 0.905 9.657 -11.587 305 HE3 TRP 46 HE3 TRP 46 4.115 10.009 -7.322 306 HZ2 TRP 46 HZ2 TRP 46 2.559 11.944 -11.645 307 HZ3 TRP 46 HZ3 TRP 46 5.058 12.106 -8.191 308 HH2 TRP 46 HH2 TRP 46 4.297 13.053 -10.309 309 H ARG 47 H ARG 47 2.454 6.252 -10.303 310 HA ARG 47 HA ARG 47 0.764 3.920 -10.095 311 HB2 ARG 47 HB2 ARG 47 0.408 4.192 -12.517 312 HB3 ARG 47 HB3 ARG 47 0.032 5.645 -11.616 313 HG2 ARG 47 HG2 ARG 47 2.323 6.488 -12.252 314 HG3 ARG 47 HG3 ARG 47 2.433 5.102 -13.340 315 HD2 ARG 47 HD2 ARG 47 0.463 5.849 -14.537 316 HD3 ARG 47 HD3 ARG 47 0.250 7.184 -13.409 317 HE ARG 47 HE ARG 47 1.973 8.324 -14.450 318 HH11 ARG 47 HH11 ARG 47 3.336 8.750 -16.224 319 HH12 ARG 47 HH12 ARG 47 3.676 7.490 -17.361 320 HH21 ARG 47 HH21 ARG 47 1.719 5.096 -15.727 321 HH22 ARG 47 HH22 ARG 47 2.755 5.407 -17.078 322 H GLY 48 H GLY 48 4.016 4.157 -10.114 323 HA2 GLY 48 HA2 GLY 48 4.910 2.562 -12.226 324 HA3 GLY 48 HA3 GLY 48 5.712 2.714 -10.676 325 H LEU 49 H LEU 49 4.063 1.468 -8.928 326 HA LEU 49 HA LEU 49 4.467 -1.274 -9.591 327 HB2 LEU 49 HB2 LEU 49 3.024 0.026 -7.280 328 HB3 LEU 49 HB3 LEU 49 3.313 -1.698 -7.410 329 HG LEU 49 HG LEU 49 5.490 0.398 -7.293 330 HD11 LEU 49 HD11 LEU 49 5.744 -0.019 -5.040 331 HD12 LEU 49 HD12 LEU 49 4.877 -1.551 -5.114 332 HD13 LEU 49 HD13 LEU 49 3.990 -0.031 -5.220 333 HD21 LEU 49 HD21 LEU 49 5.550 -2.617 -7.261 334 HD22 LEU 49 HD22 LEU 49 6.920 -1.596 -6.825 335 HD23 LEU 49 HD23 LEU 49 6.265 -1.540 -8.461 336 H ALA 50 H ALA 50 1.601 0.794 -9.349 337 HA ALA 50 HA ALA 50 -0.329 -1.224 -9.755 338 HB1 ALA 50 HB1 ALA 50 -0.480 1.724 -10.330 339 HB2 ALA 50 HB2 ALA 50 -0.929 0.918 -8.826 340 HB3 ALA 50 HB3 ALA 50 -1.855 0.621 -10.296 341 H GLU 51 H GLU 51 1.342 0.890 -12.038 342 HA GLU 51 HA GLU 51 -0.157 0.332 -14.314 343 HB2 GLU 51 HB2 GLU 51 1.445 2.186 -14.171 344 HB3 GLU 51 HB3 GLU 51 2.779 1.043 -14.108 345 HG2 GLU 51 HG2 GLU 51 2.234 0.274 -16.363 346 HG3 GLU 51 HG3 GLU 51 0.887 1.407 -16.427 347 H ARG 52 H ARG 52 2.748 -1.248 -13.024 348 HA ARG 52 HA ARG 52 3.102 -3.071 -15.145 349 HB2 ARG 52 HB2 ARG 52 3.983 -3.167 -12.261 350 HB3 ARG 52 HB3 ARG 52 4.450 -4.374 -13.453 351 HG2 ARG 52 HG2 ARG 52 5.475 -2.583 -14.812 352 HG3 ARG 52 HG3 ARG 52 5.082 -1.433 -13.535 353 HD2 ARG 52 HD2 ARG 52 6.458 -2.710 -11.966 354 HD3 ARG 52 HD3 ARG 52 6.872 -3.842 -13.255 355 HE ARG 52 HE ARG 52 7.956 -1.210 -12.835 356 HH11 ARG 52 HH11 ARG 52 9.652 -0.544 -14.200 357 HH12 ARG 52 HH12 ARG 52 9.953 -1.401 -15.674 358 HH21 ARG 52 HH21 ARG 52 7.355 -3.700 -15.204 359 HH22 ARG 52 HH22 ARG 52 8.644 -3.198 -16.247 360 H LEU 53 H LEU 53 1.251 -3.258 -12.143 361 HA LEU 53 HA LEU 53 0.542 -5.998 -12.416 362 HB2 LEU 53 HB2 LEU 53 0.455 -4.496 -10.320 363 HB3 LEU 53 HB3 LEU 53 -1.101 -3.960 -10.935 364 HG LEU 53 HG LEU 53 -0.850 -6.875 -10.822 365 HD11 LEU 53 HD11 LEU 53 0.449 -6.587 -8.883 366 HD12 LEU 53 HD12 LEU 53 -1.195 -6.854 -8.306 367 HD13 LEU 53 HD13 LEU 53 -0.525 -5.223 -8.333 368 HD21 LEU 53 HD21 LEU 53 -2.905 -5.332 -11.156 369 HD22 LEU 53 HD22 LEU 53 -2.868 -5.184 -9.399 370 HD23 LEU 53 HD23 LEU 53 -3.063 -6.768 -10.146 371 H SER 54 H SER 54 -1.094 -2.961 -13.290 372 HA SER 54 HA SER 54 -2.557 -4.341 -15.370 373 HB2 SER 54 HB2 SER 54 -4.019 -4.714 -13.424 374 HB3 SER 54 HB3 SER 54 -4.055 -2.978 -13.116 375 HG SER 54 HG SER 54 -5.698 -4.311 -14.622 376 H SER 55 H SER 55 -3.117 -2.968 -17.044 377 HA SER 55 HA SER 55 -2.576 -0.107 -16.596 378 HB2 SER 55 HB2 SER 55 -1.913 -1.770 -19.035 379 HB3 SER 55 HB3 SER 55 -1.771 -0.015 -18.959 380 HG SER 55 HG SER 55 -0.508 -1.477 -16.950 381 H SER 56 H SER 56 -4.138 1.264 -17.145 382 HA SER 56 HA SER 56 -6.003 0.706 -19.267 383 HB2 SER 56 HB2 SER 56 -7.080 -0.511 -17.430 384 HB3 SER 56 HB3 SER 56 -6.995 0.925 -16.410 385 HG SER 56 HG SER 56 -8.921 0.254 -18.069 386 H TRP 57 H TRP 57 -6.927 2.587 -20.067 387 HA TRP 57 HA TRP 57 -5.632 5.022 -19.473 388 HB2 TRP 57 HB2 TRP 57 -8.113 4.407 -21.081 389 HB3 TRP 57 HB3 TRP 57 -7.430 6.024 -20.954 390 HD1 TRP 57 HD1 TRP 57 -4.411 4.201 -21.055 391 HE1 TRP 57 HE1 TRP 57 -3.518 3.846 -23.441 392 HE3 TRP 57 HE3 TRP 57 -8.672 5.244 -23.681 393 HZ2 TRP 57 HZ2 TRP 57 -4.488 3.991 -26.087 394 HZ3 TRP 57 HZ3 TRP 57 -8.604 5.115 -26.139 395 HH2 TRP 57 HH2 TRP 57 -6.553 4.502 -27.314 396 H LEU 58 H LEU 58 -8.801 3.748 -18.572 397 HA LEU 58 HA LEU 58 -9.725 6.112 -17.306 398 HB2 LEU 58 HB2 LEU 58 -10.535 3.223 -17.017 399 HB3 LEU 58 HB3 LEU 58 -11.354 4.536 -16.194 400 HG LEU 58 HG LEU 58 -11.110 4.327 -19.197 401 HD11 LEU 58 HD11 LEU 58 -13.421 3.587 -17.407 402 HD12 LEU 58 HD12 LEU 58 -12.418 2.466 -18.328 403 HD13 LEU 58 HD13 LEU 58 -13.448 3.622 -19.171 404 HD21 LEU 58 HD21 LEU 58 -13.244 5.885 -18.735 405 HD22 LEU 58 HD22 LEU 58 -11.610 6.519 -18.938 406 HD23 LEU 58 HD23 LEU 58 -12.273 6.291 -17.319 407 H ASP 59 H ASP 59 -7.992 3.269 -16.172 408 HA ASP 59 HA ASP 59 -8.161 3.780 -13.409 409 HB2 ASP 59 HB2 ASP 59 -7.526 1.592 -14.342 410 HB3 ASP 59 HB3 ASP 59 -6.005 2.280 -14.904 411 H VAL 60 H VAL 60 -5.612 4.650 -15.765 412 HA VAL 60 HA VAL 60 -3.926 5.811 -13.800 413 HB VAL 60 HB VAL 60 -2.696 6.844 -15.671 414 HG11 VAL 60 HG11 VAL 60 -1.953 4.702 -15.113 415 HG12 VAL 60 HG12 VAL 60 -2.193 4.628 -16.860 416 HG13 VAL 60 HG13 VAL 60 -3.394 3.929 -15.774 417 HG21 VAL 60 HG21 VAL 60 -4.399 5.424 -17.651 418 HG22 VAL 60 HG22 VAL 60 -3.383 6.852 -17.852 419 HG23 VAL 60 HG23 VAL 60 -4.947 6.988 -17.049 420 H ASP 61 H ASP 61 -6.642 7.031 -15.575 421 HA ASP 61 HA ASP 61 -6.142 9.796 -15.296 422 HB2 ASP 61 HB2 ASP 61 -7.870 8.846 -16.808 423 HB3 ASP 61 HB3 ASP 61 -8.824 8.392 -15.399 424 H HIS 62 H HIS 62 -7.856 7.471 -13.246 425 HA HIS 62 HA HIS 62 -8.586 9.403 -11.272 426 HB2 HIS 62 HB2 HIS 62 -9.657 7.079 -11.805 427 HB3 HIS 62 HB3 HIS 62 -8.445 6.469 -10.681 428 HD2 HIS 62 HD2 HIS 62 -9.263 6.491 -8.127 429 HE1 HIS 62 HE1 HIS 62 -12.320 9.373 -8.444 430 H ILE 63 H ILE 63 -5.777 7.459 -11.845 431 HA ILE 63 HA ILE 63 -4.682 7.310 -9.271 432 HB ILE 63 HB ILE 63 -3.346 7.417 -11.977 433 HG12 ILE 63 HG12 ILE 63 -3.641 5.143 -10.002 434 HG13 ILE 63 HG13 ILE 63 -4.739 5.427 -11.355 435 HG21 ILE 63 HG21 ILE 63 -1.558 6.302 -10.128 436 HG22 ILE 63 HG22 ILE 63 -2.127 7.808 -9.410 437 HG23 ILE 63 HG23 ILE 63 -1.390 7.819 -11.012 438 HD11 ILE 63 HD11 ILE 63 -2.170 4.119 -11.304 439 HD12 ILE 63 HD12 ILE 63 -2.223 5.404 -12.511 440 HD13 ILE 63 HD13 ILE 63 -3.421 4.110 -12.546 441 H GLU 64 H GLU 64 -4.506 9.860 -11.707 442 HA GLU 64 HA GLU 64 -2.679 11.508 -10.284 443 HB2 GLU 64 HB2 GLU 64 -4.652 12.142 -12.485 444 HB3 GLU 64 HB3 GLU 64 -3.472 13.288 -11.863 445 HG2 GLU 64 HG2 GLU 64 -2.854 10.664 -13.210 446 HG3 GLU 64 HG3 GLU 64 -2.704 12.266 -13.928 447 H LYS 65 H LYS 65 -6.056 10.929 -9.929 448 HA LYS 65 HA LYS 65 -6.709 13.478 -8.781 449 HB2 LYS 65 HB2 LYS 65 -8.138 11.005 -9.444 450 HB3 LYS 65 HB3 LYS 65 -8.744 11.827 -8.014 451 HG2 LYS 65 HG2 LYS 65 -10.010 12.872 -9.572 452 HG3 LYS 65 HG3 LYS 65 -8.600 13.932 -9.627 453 HD2 LYS 65 HD2 LYS 65 -7.745 12.351 -11.471 454 HD3 LYS 65 HD3 LYS 65 -9.409 11.772 -11.548 455 HE2 LYS 65 HE2 LYS 65 -9.199 13.465 -13.195 456 HE3 LYS 65 HE3 LYS 65 -10.120 14.160 -11.864 457 HZ1 LYS 65 HZ1 LYS 65 -8.632 15.776 -11.753 458 HZ2 LYS 65 HZ2 LYS 65 -7.713 15.070 -12.986 459 HZ3 LYS 65 HZ3 LYS 65 -7.421 14.655 -11.373 460 H GLU 66 H GLU 66 -6.389 10.185 -7.320 461 HA GLU 66 HA GLU 66 -6.654 11.409 -4.698 462 HB2 GLU 66 HB2 GLU 66 -5.962 8.508 -4.925 463 HB3 GLU 66 HB3 GLU 66 -6.995 9.342 -3.775 464 HG2 GLU 66 HG2 GLU 66 -8.641 9.698 -5.649 465 HG3 GLU 66 HG3 GLU 66 -7.662 8.584 -6.604 466 H VAL 67 H VAL 67 -4.071 11.036 -6.739 467 HA VAL 67 HA VAL 67 -2.033 10.061 -5.123 468 HB VAL 67 HB VAL 67 -1.813 10.630 -7.557 469 HG11 VAL 67 HG11 VAL 67 -0.982 12.954 -8.059 470 HG12 VAL 67 HG12 VAL 67 -1.601 13.430 -6.477 471 HG13 VAL 67 HG13 VAL 67 -2.708 12.816 -7.710 472 HG21 VAL 67 HG21 VAL 67 0.175 11.126 -5.455 473 HG22 VAL 67 HG22 VAL 67 0.575 11.803 -7.035 474 HG23 VAL 67 HG23 VAL 67 0.251 10.078 -6.874 475 H ASP 68 H ASP 68 -3.520 13.251 -5.144 476 HA ASP 68 HA ASP 68 -1.661 14.261 -3.145 477 HB2 ASP 68 HB2 ASP 68 -4.022 15.512 -4.556 478 HB3 ASP 68 HB3 ASP 68 -3.151 16.320 -3.256 479 H GLN 69 H GLN 69 -4.311 12.326 -3.116 480 HA GLN 69 HA GLN 69 -5.353 13.345 -0.561 481 HB2 GLN 69 HB2 GLN 69 -6.568 11.348 -2.480 482 HB3 GLN 69 HB3 GLN 69 -7.308 11.910 -0.989 483 HG2 GLN 69 HG2 GLN 69 -6.657 13.612 -3.386 484 HG3 GLN 69 HG3 GLN 69 -8.256 13.022 -2.939 485 HE21 GLN 69 HE21 GLN 69 -8.713 13.553 -0.491 486 HE22 GLN 69 HE22 GLN 69 -8.455 15.207 -0.072 487 H GLY 70 H GLY 70 -2.866 11.658 -1.049 488 HA2 GLY 70 HA2 GLY 70 -1.968 10.272 0.701 489 HA3 GLY 70 HA3 GLY 70 -3.571 9.597 0.931 490 H LYS 71 H LYS 71 -2.447 9.955 -2.305 491 HA LYS 71 HA LYS 71 -1.256 8.574 -3.733 492 HB2 LYS 71 HB2 LYS 71 -0.046 7.352 -2.078 493 HB3 LYS 71 HB3 LYS 71 -1.501 6.526 -1.540 494 HG2 LYS 71 HG2 LYS 71 -0.099 5.021 -2.811 495 HG3 LYS 71 HG3 LYS 71 -1.610 5.323 -3.671 496 HD2 LYS 71 HD2 LYS 71 0.324 5.335 -5.191 497 HD3 LYS 71 HD3 LYS 71 -0.476 6.906 -5.137 498 HE2 LYS 71 HE2 LYS 71 1.590 6.703 -3.146 499 HE3 LYS 71 HE3 LYS 71 2.219 6.377 -4.755 500 HZ1 LYS 71 HZ1 LYS 71 2.400 8.690 -4.381 501 HZ2 LYS 71 HZ2 LYS 71 0.800 8.814 -3.841 502 HZ3 LYS 71 HZ3 LYS 71 1.118 8.484 -5.468 503 H SER 72 H SER 72 -2.039 7.570 -5.461 504 HA SER 72 HA SER 72 -4.635 6.204 -5.265 505 HB2 SER 72 HB2 SER 72 -4.661 8.604 -6.204 506 HB3 SER 72 HB3 SER 72 -3.907 7.905 -7.627 507 HG SER 72 HG SER 72 -5.706 6.464 -7.753 508 H GLY 73 H GLY 73 -1.443 6.354 -6.585 509 HA2 GLY 73 HA2 GLY 73 -1.734 4.659 -8.794 510 HA3 GLY 73 HA3 GLY 73 -0.256 4.853 -7.849 511 H THR 74 H THR 74 -0.344 3.693 -5.662 512 HA THR 74 HA THR 74 -1.098 0.960 -6.217 513 HB THR 74 HB THR 74 0.317 1.979 -3.749 514 HG1 THR 74 HG1 THR 74 1.188 2.128 -6.220 515 HG21 THR 74 HG21 THR 74 1.276 -0.352 -3.825 516 HG22 THR 74 HG22 THR 74 0.095 -0.721 -5.079 517 HG23 THR 74 HG23 THR 74 -0.448 -0.269 -3.465 518 H ARG 75 H ARG 75 -2.029 3.569 -4.040 519 HA ARG 75 HA ARG 75 -3.464 2.044 -2.163 520 HB2 ARG 75 HB2 ARG 75 -2.840 4.454 -1.863 521 HB3 ARG 75 HB3 ARG 75 -4.089 4.874 -3.023 522 HG2 ARG 75 HG2 ARG 75 -5.789 3.921 -1.581 523 HG3 ARG 75 HG3 ARG 75 -4.557 3.455 -0.410 524 HD2 ARG 75 HD2 ARG 75 -3.976 5.811 -0.096 525 HD3 ARG 75 HD3 ARG 75 -5.212 6.269 -1.267 526 HE ARG 75 HE ARG 75 -6.401 4.728 0.756 527 HH11 ARG 75 HH11 ARG 75 -7.626 5.734 2.398 528 HH12 ARG 75 HH12 ARG 75 -7.394 7.419 2.726 529 HH21 ARG 75 HH21 ARG 75 -4.941 7.842 0.262 530 HH22 ARG 75 HH22 ARG 75 -5.864 8.626 1.500 531 H GLU 76 H GLU 76 -4.583 3.702 -5.115 532 HA GLU 76 HA GLU 76 -7.292 2.997 -4.854 533 HB2 GLU 76 HB2 GLU 76 -6.544 4.764 -6.357 534 HB3 GLU 76 HB3 GLU 76 -5.686 3.595 -7.354 535 HG2 GLU 76 HG2 GLU 76 -7.871 2.523 -7.861 536 HG3 GLU 76 HG3 GLU 76 -8.661 3.806 -6.945 537 H LEU 77 H LEU 77 -4.583 1.362 -6.426 538 HA LEU 77 HA LEU 77 -6.046 -0.694 -7.665 539 HB2 LEU 77 HB2 LEU 77 -3.713 -0.185 -8.207 540 HB3 LEU 77 HB3 LEU 77 -3.215 -0.701 -6.608 541 HG LEU 77 HG LEU 77 -3.950 -3.005 -7.147 542 HD11 LEU 77 HD11 LEU 77 -5.580 -2.932 -8.752 543 HD12 LEU 77 HD12 LEU 77 -4.176 -3.337 -9.742 544 HD13 LEU 77 HD13 LEU 77 -4.764 -1.675 -9.682 545 HD21 LEU 77 HD21 LEU 77 -2.164 -2.503 -9.393 546 HD22 LEU 77 HD22 LEU 77 -1.909 -3.453 -7.931 547 HD23 LEU 77 HD23 LEU 77 -1.652 -1.710 -7.905 548 H LEU 78 H LEU 78 -4.457 -0.564 -4.479 549 HA LEU 78 HA LEU 78 -5.252 -3.195 -3.720 550 HB2 LEU 78 HB2 LEU 78 -4.320 -0.861 -2.029 551 HB3 LEU 78 HB3 LEU 78 -4.495 -2.510 -1.450 552 HG LEU 78 HG LEU 78 -2.572 -1.595 -3.598 553 HD11 LEU 78 HD11 LEU 78 -1.828 -0.801 -1.479 554 HD12 LEU 78 HD12 LEU 78 -0.865 -2.221 -1.889 555 HD13 LEU 78 HD13 LEU 78 -2.171 -2.350 -0.709 556 HD21 LEU 78 HD21 LEU 78 -2.531 -3.732 -4.216 557 HD22 LEU 78 HD22 LEU 78 -3.578 -4.209 -2.881 558 HD23 LEU 78 HD23 LEU 78 -1.835 -4.104 -2.640 559 H TRP 79 H TRP 79 -6.584 0.021 -3.151 560 HA TRP 79 HA TRP 79 -8.664 -0.877 -1.381 561 HB2 TRP 79 HB2 TRP 79 -7.527 1.450 -1.520 562 HB3 TRP 79 HB3 TRP 79 -8.667 1.762 -2.822 563 HD1 TRP 79 HD1 TRP 79 -11.078 2.450 -2.154 564 HE1 TRP 79 HE1 TRP 79 -12.297 2.803 0.087 565 HE3 TRP 79 HE3 TRP 79 -7.580 0.457 0.997 566 HZ2 TRP 79 HZ2 TRP 79 -11.833 2.307 2.829 567 HZ3 TRP 79 HZ3 TRP 79 -8.042 0.440 3.413 568 HH2 TRP 79 HH2 TRP 79 -10.125 1.346 4.309 569 H SER 80 H SER 80 -8.316 -1.130 -4.684 570 HA SER 80 HA SER 80 -10.792 -0.380 -5.723 571 HB2 SER 80 HB2 SER 80 -8.883 -0.916 -7.144 572 HB3 SER 80 HB3 SER 80 -8.957 -2.605 -6.641 573 HG SER 80 HG SER 80 -11.354 -2.052 -7.495 574 H TRP 81 H TRP 81 -9.847 -3.511 -4.285 575 HA TRP 81 HA TRP 81 -12.502 -4.565 -4.801 576 HB2 TRP 81 HB2 TRP 81 -9.963 -5.696 -3.695 577 HB3 TRP 81 HB3 TRP 81 -11.484 -6.511 -3.338 578 HD1 TRP 81 HD1 TRP 81 -8.869 -6.223 -5.973 579 HE1 TRP 81 HE1 TRP 81 -9.579 -7.532 -8.072 580 HE3 TRP 81 HE3 TRP 81 -13.766 -7.087 -4.777 581 HZ2 TRP 81 HZ2 TRP 81 -11.909 -8.766 -9.088 582 HZ3 TRP 81 HZ3 TRP 81 -15.168 -8.337 -6.364 583 HH2 TRP 81 HH2 TRP 81 -14.257 -9.159 -8.477 584 H ALA 82 H ALA 82 -10.840 -5.091 -1.739 585 HA ALA 82 HA ALA 82 -13.192 -3.969 -0.366 586 HB1 ALA 82 HB1 ALA 82 -12.036 -5.359 1.593 587 HB2 ALA 82 HB2 ALA 82 -11.402 -6.265 0.221 588 HB3 ALA 82 HB3 ALA 82 -13.144 -6.103 0.439 589 H GLN 83 H GLN 83 -10.061 -4.648 1.046 590 HA GLN 83 HA GLN 83 -9.690 -1.766 1.532 591 HB2 GLN 83 HB2 GLN 83 -8.754 -4.122 3.198 592 HB3 GLN 83 HB3 GLN 83 -8.356 -2.438 3.524 593 HG2 GLN 83 HG2 GLN 83 -10.762 -1.958 3.794 594 HG3 GLN 83 HG3 GLN 83 -11.102 -3.672 3.569 595 HE21 GLN 83 HE21 GLN 83 -11.557 -4.600 5.430 596 HE22 GLN 83 HE22 GLN 83 -10.773 -4.297 6.938 597 H LYS 84 H LYS 84 -7.876 -4.812 1.248 598 HA LYS 84 HA LYS 84 -6.068 -3.453 -0.616 599 HB2 LYS 84 HB2 LYS 84 -4.723 -3.554 1.329 600 HB3 LYS 84 HB3 LYS 84 -5.300 -5.157 1.753 601 HG2 LYS 84 HG2 LYS 84 -4.029 -6.167 0.026 602 HG3 LYS 84 HG3 LYS 84 -3.649 -4.610 -0.694 603 HD2 LYS 84 HD2 LYS 84 -1.750 -5.548 0.526 604 HD3 LYS 84 HD3 LYS 84 -2.286 -4.027 1.233 605 HE2 LYS 84 HE2 LYS 84 -1.747 -5.789 2.893 606 HE3 LYS 84 HE3 LYS 84 -3.396 -5.174 3.012 607 HZ1 LYS 84 HZ1 LYS 84 -2.754 -7.769 2.936 608 HZ2 LYS 84 HZ2 LYS 84 -3.059 -7.493 1.299 609 HZ3 LYS 84 HZ3 LYS 84 -4.259 -7.159 2.451 610 H ASN 85 H ASN 85 -7.285 -6.511 0.660 611 HA ASN 85 HA ASN 85 -7.658 -8.564 -0.239 612 HB2 ASN 85 HB2 ASN 85 -9.319 -6.977 -1.413 613 HB3 ASN 85 HB3 ASN 85 -8.288 -7.168 -2.825 614 HD21 ASN 85 HD21 ASN 85 -9.644 -8.308 -4.095 615 HD22 ASN 85 HD22 ASN 85 -10.250 -9.884 -3.713 616 H LYS 86 H LYS 86 -4.935 -7.636 -0.476 617 HA LYS 86 HA LYS 86 -4.080 -9.370 -2.669 618 HB2 LYS 86 HB2 LYS 86 -3.756 -6.517 -2.607 619 HB3 LYS 86 HB3 LYS 86 -2.175 -7.273 -2.479 620 HG2 LYS 86 HG2 LYS 86 -2.461 -6.991 -4.759 621 HG3 LYS 86 HG3 LYS 86 -2.910 -8.678 -4.502 622 HD2 LYS 86 HD2 LYS 86 -5.315 -7.639 -4.213 623 HD3 LYS 86 HD3 LYS 86 -4.620 -6.328 -5.169 624 HE2 LYS 86 HE2 LYS 86 -4.744 -9.244 -5.935 625 HE3 LYS 86 HE3 LYS 86 -5.723 -7.941 -6.609 626 HZ1 LYS 86 HZ1 LYS 86 -3.544 -6.907 -7.301 627 HZ2 LYS 86 HZ2 LYS 86 -3.993 -8.311 -8.133 628 HZ3 LYS 86 HZ3 LYS 86 -2.808 -8.387 -6.925 629 H THR 87 H THR 87 -1.650 -9.835 -2.422 630 HA THR 87 HA THR 87 -0.946 -9.860 0.428 631 HB THR 87 HB THR 87 0.036 -12.091 0.177 632 HG1 THR 87 HG1 THR 87 -0.638 -13.245 -1.826 633 HG21 THR 87 HG21 THR 87 -2.741 -12.409 -0.872 634 HG22 THR 87 HG22 THR 87 -2.497 -11.604 0.678 635 HG23 THR 87 HG23 THR 87 -1.930 -13.259 0.445 636 H ILE 88 H ILE 88 1.342 -10.133 0.848 637 HA ILE 88 HA ILE 88 2.914 -8.314 -0.564 638 HB ILE 88 HB ILE 88 3.422 -10.299 1.579 639 HG12 ILE 88 HG12 ILE 88 2.515 -8.130 2.140 640 HG13 ILE 88 HG13 ILE 88 4.156 -8.268 2.764 641 HG21 ILE 88 HG21 ILE 88 5.454 -9.575 -0.311 642 HG22 ILE 88 HG22 ILE 88 5.553 -10.655 1.082 643 HG23 ILE 88 HG23 ILE 88 5.843 -8.927 1.285 644 HD11 ILE 88 HD11 ILE 88 3.139 -6.615 0.517 645 HD12 ILE 88 HD12 ILE 88 4.835 -7.091 0.576 646 HD13 ILE 88 HD13 ILE 88 4.135 -6.148 1.893 647 H GLY 89 H GLY 89 2.742 -11.857 -0.825 648 HA2 GLY 89 HA2 GLY 89 5.020 -12.237 -2.424 649 HA3 GLY 89 HA3 GLY 89 3.612 -13.291 -2.404 650 H ASP 90 H ASP 90 1.699 -11.433 -3.338 651 HA ASP 90 HA ASP 90 2.078 -11.646 -6.139 652 HB2 ASP 90 HB2 ASP 90 -0.148 -11.644 -5.024 653 HB3 ASP 90 HB3 ASP 90 0.068 -9.938 -4.655 654 H LEU 91 H LEU 91 2.270 -8.915 -3.896 655 HA LEU 91 HA LEU 91 2.850 -6.984 -5.931 656 HB2 LEU 91 HB2 LEU 91 1.863 -6.709 -3.495 657 HB3 LEU 91 HB3 LEU 91 3.551 -6.519 -3.055 658 HG LEU 91 HG LEU 91 2.247 -4.368 -3.453 659 HD11 LEU 91 HD11 LEU 91 4.087 -3.410 -4.980 660 HD12 LEU 91 HD12 LEU 91 4.799 -5.021 -4.873 661 HD13 LEU 91 HD13 LEU 91 4.540 -4.070 -3.409 662 HD21 LEU 91 HD21 LEU 91 1.195 -5.483 -5.592 663 HD22 LEU 91 HD22 LEU 91 2.622 -4.805 -6.377 664 HD23 LEU 91 HD23 LEU 91 1.498 -3.747 -5.522 665 H LEU 92 H LEU 92 4.755 -9.088 -3.912 666 HA LEU 92 HA LEU 92 7.221 -7.796 -3.976 667 HB2 LEU 92 HB2 LEU 92 6.754 -9.721 -2.556 668 HB3 LEU 92 HB3 LEU 92 6.628 -10.755 -3.966 669 HG LEU 92 HG LEU 92 9.018 -10.366 -4.450 670 HD11 LEU 92 HD11 LEU 92 9.549 -8.285 -3.562 671 HD12 LEU 92 HD12 LEU 92 10.338 -9.409 -2.454 672 HD13 LEU 92 HD13 LEU 92 8.811 -8.651 -2.003 673 HD21 LEU 92 HD21 LEU 92 9.901 -11.678 -2.559 674 HD22 LEU 92 HD22 LEU 92 8.378 -12.320 -3.174 675 HD23 LEU 92 HD23 LEU 92 8.401 -11.384 -1.677 676 H GLN 93 H GLN 93 5.790 -10.005 -6.357 677 HA GLN 93 HA GLN 93 8.053 -10.293 -8.002 678 HB2 GLN 93 HB2 GLN 93 5.096 -10.396 -8.620 679 HB3 GLN 93 HB3 GLN 93 6.340 -10.817 -9.790 680 HG2 GLN 93 HG2 GLN 93 7.080 -12.648 -8.460 681 HG3 GLN 93 HG3 GLN 93 6.052 -12.157 -7.114 682 HE21 GLN 93 HE21 GLN 93 3.950 -12.748 -7.083 683 HE22 GLN 93 HE22 GLN 93 3.214 -13.761 -8.277 684 H VAL 94 H VAL 94 5.423 -7.925 -8.038 685 HA VAL 94 HA VAL 94 6.357 -6.471 -10.309 686 HB VAL 94 HB VAL 94 4.472 -5.662 -8.082 687 HG11 VAL 94 HG11 VAL 94 4.961 -4.311 -10.733 688 HG12 VAL 94 HG12 VAL 94 5.446 -3.694 -9.155 689 HG13 VAL 94 HG13 VAL 94 3.734 -3.858 -9.550 690 HG21 VAL 94 HG21 VAL 94 3.034 -7.020 -9.098 691 HG22 VAL 94 HG22 VAL 94 4.174 -7.337 -10.406 692 HG23 VAL 94 HG23 VAL 94 3.094 -5.947 -10.496 693 H LEU 95 H LEU 95 6.691 -6.148 -6.829 694 HA LEU 95 HA LEU 95 7.969 -3.663 -6.697 695 HB2 LEU 95 HB2 LEU 95 6.977 -4.803 -4.775 696 HB3 LEU 95 HB3 LEU 95 8.212 -6.044 -4.861 697 HG LEU 95 HG LEU 95 9.930 -4.339 -4.348 698 HD11 LEU 95 HD11 LEU 95 7.626 -2.573 -4.688 699 HD12 LEU 95 HD12 LEU 95 9.350 -2.230 -4.813 700 HD13 LEU 95 HD13 LEU 95 8.567 -2.249 -3.235 701 HD21 LEU 95 HD21 LEU 95 7.726 -4.344 -2.296 702 HD22 LEU 95 HD22 LEU 95 9.463 -4.218 -2.020 703 HD23 LEU 95 HD23 LEU 95 8.770 -5.730 -2.605 704 H GLN 96 H GLN 96 9.327 -6.926 -7.054 705 HA GLN 96 HA GLN 96 12.030 -6.233 -6.739 706 HB2 GLN 96 HB2 GLN 96 10.718 -8.466 -8.290 707 HB3 GLN 96 HB3 GLN 96 12.461 -8.319 -8.124 708 HG2 GLN 96 HG2 GLN 96 12.328 -8.596 -5.755 709 HG3 GLN 96 HG3 GLN 96 10.568 -8.519 -5.797 710 HE21 GLN 96 HE21 GLN 96 12.325 -10.612 -4.777 711 HE22 GLN 96 HE22 GLN 96 11.898 -12.051 -5.630 712 H GLU 97 H GLU 97 9.953 -6.225 -9.601 713 HA GLU 97 HA GLU 97 11.979 -5.660 -11.482 714 HB2 GLU 97 HB2 GLU 97 9.722 -6.474 -12.098 715 HB3 GLU 97 HB3 GLU 97 9.038 -4.930 -11.598 716 HG2 GLU 97 HG2 GLU 97 9.231 -4.968 -13.980 717 HG3 GLU 97 HG3 GLU 97 10.388 -3.809 -13.334 718 H MET 98 H MET 98 9.842 -3.557 -9.577 719 HA MET 98 HA MET 98 10.791 -1.125 -10.704 720 HB2 MET 98 HB2 MET 98 8.593 -1.378 -9.562 721 HB3 MET 98 HB3 MET 98 9.443 -1.522 -8.030 722 HG2 MET 98 HG2 MET 98 8.538 0.730 -8.412 723 HG3 MET 98 HG3 MET 98 10.296 0.724 -8.239 724 HE1 MET 98 HE1 MET 98 7.246 1.210 -10.527 725 HE2 MET 98 HE2 MET 98 7.963 -0.164 -11.365 726 HE3 MET 98 HE3 MET 98 7.940 1.424 -12.133 727 H GLY 99 H GLY 99 11.688 -2.976 -7.819 728 HA2 GLY 99 HA2 GLY 99 13.731 -3.009 -6.733 729 HA3 GLY 99 HA3 GLY 99 14.317 -1.812 -7.870 730 H HIS 100 H HIS 100 11.543 -1.507 -5.639 731 HA HIS 100 HA HIS 100 12.653 0.982 -4.669 732 HB2 HIS 100 HB2 HIS 100 10.202 0.672 -5.075 733 HB3 HIS 100 HB3 HIS 100 10.163 -0.449 -3.718 734 HD2 HIS 100 HD2 HIS 100 8.622 1.115 -2.084 735 HE1 HIS 100 HE1 HIS 100 11.208 4.440 -1.918 736 H ARG 101 H ARG 101 14.158 1.016 -3.189 737 HA ARG 101 HA ARG 101 14.947 -1.164 -1.604 738 HB2 ARG 101 HB2 ARG 101 15.583 1.767 -1.506 739 HB3 ARG 101 HB3 ARG 101 16.332 0.604 -0.418 740 HG2 ARG 101 HG2 ARG 101 16.448 0.350 -3.413 741 HG3 ARG 101 HG3 ARG 101 17.661 1.215 -2.466 742 HD2 ARG 101 HD2 ARG 101 16.907 -1.686 -2.113 743 HD3 ARG 101 HD3 ARG 101 18.339 -1.097 -2.956 744 HE ARG 101 HE ARG 101 18.394 0.008 -0.416 745 HH11 ARG 101 HH11 ARG 101 19.587 -0.892 1.299 746 HH12 ARG 101 HH12 ARG 101 20.043 -2.562 1.238 747 HH21 ARG 101 HH21 ARG 101 18.531 -3.161 -1.861 748 HH22 ARG 101 HH22 ARG 101 19.442 -3.853 -0.561 749 H ARG 102 H ARG 102 13.031 1.720 -0.710 750 HA ARG 102 HA ARG 102 13.047 1.228 2.059 751 HB2 ARG 102 HB2 ARG 102 12.367 3.392 1.117 752 HB3 ARG 102 HB3 ARG 102 10.923 2.645 0.442 753 HG2 ARG 102 HG2 ARG 102 10.353 3.821 2.468 754 HG3 ARG 102 HG3 ARG 102 10.174 2.079 2.723 755 HD2 ARG 102 HD2 ARG 102 12.347 2.011 3.831 756 HD3 ARG 102 HD3 ARG 102 12.553 3.740 3.561 757 HE ARG 102 HE ARG 102 10.191 3.500 4.938 758 HH11 ARG 102 HH11 ARG 102 10.033 3.655 7.212 759 HH12 ARG 102 HH12 ARG 102 11.425 3.313 8.186 760 HH21 ARG 102 HH21 ARG 102 13.508 2.583 5.470 761 HH22 ARG 102 HH22 ARG 102 13.406 2.702 7.195 762 H ALA 103 H ALA 103 10.892 0.136 -0.491 763 HA ALA 103 HA ALA 103 8.901 -1.019 1.125 764 HB1 ALA 103 HB1 ALA 103 9.827 -1.748 -1.651 765 HB2 ALA 103 HB2 ALA 103 8.486 -0.691 -1.209 766 HB3 ALA 103 HB3 ALA 103 8.394 -2.420 -0.873 767 H ILE 104 H ILE 104 11.974 -2.260 -0.081 768 HA ILE 104 HA ILE 104 11.679 -4.945 0.683 769 HB ILE 104 HB ILE 104 14.154 -3.235 0.378 770 HG12 ILE 104 HG12 ILE 104 13.078 -5.439 -1.392 771 HG13 ILE 104 HG13 ILE 104 12.712 -3.733 -1.634 772 HG21 ILE 104 HG21 ILE 104 13.983 -5.709 1.704 773 HG22 ILE 104 HG22 ILE 104 15.441 -4.860 1.188 774 HG23 ILE 104 HG23 ILE 104 14.685 -6.043 0.120 775 HD11 ILE 104 HD11 ILE 104 15.556 -4.189 -1.405 776 HD12 ILE 104 HD12 ILE 104 14.635 -3.392 -2.681 777 HD13 ILE 104 HD13 ILE 104 14.836 -5.143 -2.701 778 H HIS 105 H HIS 105 12.960 -2.141 2.439 779 HA HIS 105 HA HIS 105 13.756 -3.535 4.759 780 HB2 HIS 105 HB2 HIS 105 13.055 -0.647 4.261 781 HB3 HIS 105 HB3 HIS 105 13.549 -1.228 5.848 782 HD2 HIS 105 HD2 HIS 105 15.087 -0.019 2.598 783 HE1 HIS 105 HE1 HIS 105 18.235 -1.768 4.787 784 H LEU 106 H LEU 106 10.676 -1.994 3.887 785 HA LEU 106 HA LEU 106 9.532 -2.551 6.483 786 HB2 LEU 106 HB2 LEU 106 8.958 -0.828 4.358 787 HB3 LEU 106 HB3 LEU 106 7.581 -1.904 4.460 788 HG LEU 106 HG LEU 106 6.883 -0.248 5.863 789 HD11 LEU 106 HD11 LEU 106 8.493 -1.463 8.030 790 HD12 LEU 106 HD12 LEU 106 7.396 -2.506 7.125 791 HD13 LEU 106 HD13 LEU 106 6.772 -1.088 7.966 792 HD21 LEU 106 HD21 LEU 106 8.455 1.385 5.892 793 HD22 LEU 106 HD22 LEU 106 9.775 0.264 6.229 794 HD23 LEU 106 HD23 LEU 106 8.691 0.767 7.526 795 H ILE 107 H ILE 107 9.498 -4.102 3.340 796 HA ILE 107 HA ILE 107 7.211 -5.698 3.672 797 HB ILE 107 HB ILE 107 8.518 -5.268 1.526 798 HG12 ILE 107 HG12 ILE 107 7.810 -8.160 1.974 799 HG13 ILE 107 HG13 ILE 107 6.596 -6.888 1.845 800 HG21 ILE 107 HG21 ILE 107 10.077 -7.694 2.401 801 HG22 ILE 107 HG22 ILE 107 10.707 -6.046 2.442 802 HG23 ILE 107 HG23 ILE 107 10.260 -6.782 0.902 803 HD11 ILE 107 HD11 ILE 107 7.364 -8.308 -0.241 804 HD12 ILE 107 HD12 ILE 107 8.629 -7.081 -0.303 805 HD13 ILE 107 HD13 ILE 107 6.933 -6.604 -0.384 806 H THR 108 H THR 108 10.362 -6.003 5.053 807 HA THR 108 HA THR 108 10.314 -8.797 5.547 808 HB THR 108 HB THR 108 12.371 -7.322 5.617 809 HG1 THR 108 HG1 THR 108 11.730 -9.198 7.645 810 HG21 THR 108 HG21 THR 108 11.084 -6.522 8.207 811 HG22 THR 108 HG22 THR 108 11.850 -5.506 6.985 812 HG23 THR 108 HG23 THR 108 12.840 -6.519 8.037 813 H ASN 109 H ASN 109 8.379 -6.378 6.811 814 HA ASN 109 HA ASN 109 8.136 -7.562 9.463 815 HB2 ASN 109 HB2 ASN 109 6.862 -5.179 8.137 816 HB3 ASN 109 HB3 ASN 109 6.306 -5.781 9.695 817 HD21 ASN 109 HD21 ASN 109 8.690 -3.996 8.032 818 HD22 ASN 109 HD22 ASN 109 9.656 -3.576 9.402 819 H TYR 110 H TYR 110 7.079 -8.493 6.559 820 HA TYR 110 HA TYR 110 4.370 -9.224 7.386 821 HB2 TYR 110 HB2 TYR 110 4.528 -8.365 5.143 822 HB3 TYR 110 HB3 TYR 110 5.850 -9.458 4.758 823 HD1 TYR 110 HD1 TYR 110 2.209 -9.368 5.559 824 HD2 TYR 110 HD2 TYR 110 5.428 -11.573 3.851 825 HE1 TYR 110 HE1 TYR 110 0.614 -11.003 4.663 826 HE2 TYR 110 HE2 TYR 110 3.832 -13.209 2.948 827 HH TYR 110 HH TYR 110 1.378 -13.973 3.678 828 H GLY 111 H GLY 111 4.010 -11.130 8.351 829 HA2 GLY 111 HA2 GLY 111 5.786 -13.384 7.675 830 HA3 GLY 111 HA3 GLY 111 5.446 -12.996 9.352 831 H ALA 112 H ALA 112 3.047 -12.803 6.782 832 HA ALA 112 HA ALA 112 1.494 -14.833 8.210 833 HB1 ALA 112 HB1 ALA 112 -0.429 -13.924 7.291 834 HB2 ALA 112 HB2 ALA 112 0.429 -13.244 5.909 835 HB3 ALA 112 HB3 ALA 112 0.599 -12.505 7.502 836 H VAL 113 H VAL 113 1.047 -16.797 7.395 837 HA VAL 113 HA VAL 113 2.190 -17.457 4.776 838 HB VAL 113 HB VAL 113 1.969 -19.830 5.508 839 HG11 VAL 113 HG11 VAL 113 4.118 -19.139 5.835 840 HG12 VAL 113 HG12 VAL 113 3.671 -19.473 7.508 841 HG13 VAL 113 HG13 VAL 113 3.648 -17.816 6.902 842 HG21 VAL 113 HG21 VAL 113 1.351 -18.720 8.241 843 HG22 VAL 113 HG22 VAL 113 1.386 -20.409 7.733 844 HG23 VAL 113 HG23 VAL 113 0.110 -19.341 7.151 845 H LEU 114 H LEU 114 -0.679 -16.466 5.846 846 HA LEU 114 HA LEU 114 -2.212 -18.293 4.119 847 HB2 LEU 114 HB2 LEU 114 -3.211 -16.537 6.367 848 HB3 LEU 114 HB3 LEU 114 -4.208 -17.581 5.370 849 HG LEU 114 HG LEU 114 -2.039 -18.518 7.256 850 HD11 LEU 114 HD11 LEU 114 -4.037 -17.589 8.378 851 HD12 LEU 114 HD12 LEU 114 -3.829 -19.320 8.652 852 HD13 LEU 114 HD13 LEU 114 -5.034 -18.748 7.500 853 HD21 LEU 114 HD21 LEU 114 -3.187 -20.752 6.811 854 HD22 LEU 114 HD22 LEU 114 -2.157 -20.109 5.532 855 HD23 LEU 114 HD23 LEU 114 -3.911 -19.970 5.405 856 H SER 115 H SER 115 -3.568 -17.441 2.552 857 HA SER 115 HA SER 115 -3.332 -14.540 2.088 858 HB2 SER 115 HB2 SER 115 -3.386 -16.741 0.006 859 HB3 SER 115 HB3 SER 115 -3.344 -15.011 -0.334 860 HG SER 115 HG SER 115 -1.371 -15.829 1.380 861 HA PRO 116 HA PRO 116 -7.814 -15.482 2.294 862 HB2 PRO 116 HB2 PRO 116 -8.533 -13.418 3.837 863 HB3 PRO 116 HB3 PRO 116 -7.770 -14.860 4.521 864 HG2 PRO 116 HG2 PRO 116 -6.571 -12.194 3.898 865 HG3 PRO 116 HG3 PRO 116 -6.297 -13.243 5.297 866 HD2 PRO 116 HD2 PRO 116 -4.625 -13.075 3.105 867 HD3 PRO 116 HD3 PRO 116 -4.701 -14.459 4.212 868 H SER 117 H SER 117 -7.155 -14.691 -0.081 869 HA SER 117 HA SER 117 -8.268 -12.014 -0.544 870 HB2 SER 117 HB2 SER 117 -6.752 -13.863 -2.410 871 HB3 SER 117 HB3 SER 117 -7.345 -12.258 -2.838 872 HG SER 117 HG SER 117 -5.859 -11.343 -1.558 873 H GLU 118 H GLU 118 -10.139 -11.700 -1.680 874 HA GLU 118 HA GLU 118 -11.517 -14.118 -2.657 875 HB2 GLU 118 HB2 GLU 118 -12.709 -11.846 -1.058 876 HB3 GLU 118 HB3 GLU 118 -13.656 -13.091 -1.857 877 HG2 GLU 118 HG2 GLU 118 -12.617 -14.798 -0.470 878 HG3 GLU 118 HG3 GLU 118 -11.625 -13.570 0.314 879 H LYS 119 H LYS 119 -13.085 -13.770 -4.329 880 HA LYS 119 HA LYS 119 -13.039 -11.174 -5.652 881 HB2 LYS 119 HB2 LYS 119 -12.479 -12.127 -7.825 882 HB3 LYS 119 HB3 LYS 119 -11.192 -12.451 -6.672 883 HG2 LYS 119 HG2 LYS 119 -12.034 -14.733 -6.383 884 HG3 LYS 119 HG3 LYS 119 -13.313 -14.404 -7.553 885 HD2 LYS 119 HD2 LYS 119 -11.576 -13.929 -9.253 886 HD3 LYS 119 HD3 LYS 119 -10.340 -14.372 -8.076 887 HE2 LYS 119 HE2 LYS 119 -12.538 -16.179 -9.079 888 HE3 LYS 119 HE3 LYS 119 -10.859 -16.215 -9.617 889 HZ1 LYS 119 HZ1 LYS 119 -10.794 -17.816 -8.030 890 HZ2 LYS 119 HZ2 LYS 119 -12.025 -17.128 -7.096 891 HZ3 LYS 119 HZ3 LYS 119 -10.462 -16.484 -7.043 892 H SER 120 H SER 120 -14.738 -10.959 -7.272 893 HA SER 120 HA SER 120 -16.890 -12.938 -6.971 894 HB2 SER 120 HB2 SER 120 -17.202 -9.926 -6.877 895 HB3 SER 120 HB3 SER 120 -18.533 -11.083 -6.894 896 HG SER 120 HG SER 120 -16.785 -11.733 -4.961 897 H TYR 121 H TYR 121 -18.301 -13.148 -8.745 898 HA TYR 121 HA TYR 121 -17.344 -11.884 -11.226 899 HB2 TYR 121 HB2 TYR 121 -16.780 -14.265 -11.210 900 HB3 TYR 121 HB3 TYR 121 -18.452 -14.679 -10.851 901 HD1 TYR 121 HD1 TYR 121 -16.282 -13.128 -13.436 902 HD2 TYR 121 HD2 TYR 121 -19.997 -15.019 -12.587 903 HE1 TYR 121 HE1 TYR 121 -16.756 -13.266 -15.846 904 HE2 TYR 121 HE2 TYR 121 -20.481 -15.163 -14.994 905 HH TYR 121 HH TYR 121 -19.418 -13.530 -17.186 906 H GLN 122 H GLN 122 -18.817 -10.749 -12.334 907 HA GLN 122 HA GLN 122 -21.662 -11.207 -11.732 908 HB2 GLN 122 HB2 GLN 122 -20.219 -8.575 -12.089 909 HB3 GLN 122 HB3 GLN 122 -21.969 -8.727 -12.130 910 HG2 GLN 122 HG2 GLN 122 -22.030 -9.454 -9.857 911 HG3 GLN 122 HG3 GLN 122 -20.272 -9.569 -9.793 912 HE21 GLN 122 HE21 GLN 122 -22.090 -8.027 -8.123 913 HE22 GLN 122 HE22 GLN 122 -21.601 -6.378 -8.274 914 H GLU 123 H GLU 123 -23.097 -11.051 -13.441 915 HA GLU 123 HA GLU 123 -22.119 -11.706 -16.002 916 HB2 GLU 123 HB2 GLU 123 -24.857 -10.851 -15.061 917 HB3 GLU 123 HB3 GLU 123 -24.521 -11.349 -16.715 918 HG2 GLU 123 HG2 GLU 123 -24.162 -13.043 -14.248 919 HG3 GLU 123 HG3 GLU 123 -25.474 -13.169 -15.418 920 H GLY 124 H GLY 124 -23.297 -8.673 -14.627 921 HA2 GLY 124 HA2 GLY 124 -21.767 -7.016 -16.241 922 HA3 GLY 124 HA3 GLY 124 -23.308 -7.214 -17.061 Start of MODEL 16 1 H1 SER 1 HT1 SER 1 8.485 4.208 -19.280 2 H2 SER 1 HT2 SER 1 8.734 4.442 -17.622 3 H3 SER 1 HT3 SER 1 9.487 3.151 -18.413 4 HA SER 1 HA SER 1 11.076 4.895 -18.008 5 HB2 SER 1 HB2 SER 1 10.925 5.374 -20.846 6 HB3 SER 1 HB3 SER 1 12.043 4.337 -19.956 7 HG SER 1 HG SER 1 9.618 3.194 -20.061 8 H GLU 2 H GLU 2 8.058 5.983 -18.468 9 HA GLU 2 HA GLU 2 8.887 8.718 -19.160 10 HB2 GLU 2 HB2 GLU 2 7.108 7.744 -20.572 11 HB3 GLU 2 HB3 GLU 2 6.115 7.501 -19.142 12 HG2 GLU 2 HG2 GLU 2 6.000 9.905 -18.791 13 HG3 GLU 2 HG3 GLU 2 7.039 10.169 -20.191 14 H PHE 3 H PHE 3 8.924 10.224 -17.616 15 HA PHE 3 HA PHE 3 7.407 9.738 -15.143 16 HB2 PHE 3 HB2 PHE 3 10.208 10.868 -15.351 17 HB3 PHE 3 HB3 PHE 3 9.267 10.767 -13.869 18 HD1 PHE 3 HD1 PHE 3 11.465 9.044 -16.122 19 HD2 PHE 3 HD2 PHE 3 8.632 8.496 -12.994 20 HE1 PHE 3 HE1 PHE 3 12.345 6.782 -15.726 21 HE2 PHE 3 HE2 PHE 3 9.510 6.232 -12.589 22 HZ PHE 3 HZ PHE 3 11.369 5.373 -13.956 23 H GLY 4 H GLY 4 6.655 11.601 -14.044 24 HA2 GLY 4 HA2 GLY 4 7.120 14.235 -15.046 25 HA3 GLY 4 HA3 GLY 4 5.571 13.605 -15.586 26 H SER 5 H SER 5 5.130 15.688 -14.244 27 HA SER 5 HA SER 5 3.930 16.555 -12.529 28 HB2 SER 5 HB2 SER 5 3.973 13.756 -11.380 29 HB3 SER 5 HB3 SER 5 2.992 15.092 -10.777 30 HG SER 5 HG SER 5 2.857 14.171 -13.453 31 H MET 6 H MET 6 6.256 14.219 -11.149 32 HA MET 6 HA MET 6 7.815 14.399 -9.503 33 HB2 MET 6 HB2 MET 6 7.949 17.191 -10.639 34 HB3 MET 6 HB3 MET 6 9.074 16.589 -9.429 35 HG2 MET 6 HG2 MET 6 9.854 14.880 -10.938 36 HG3 MET 6 HG3 MET 6 8.646 15.345 -12.136 37 HE1 MET 6 HE1 MET 6 12.546 17.448 -11.069 38 HE2 MET 6 HE2 MET 6 11.733 16.154 -10.189 39 HE3 MET 6 HE3 MET 6 11.202 17.823 -9.992 40 H ALA 7 H ALA 7 5.418 14.404 -8.386 41 HA ALA 7 HA ALA 7 5.686 16.344 -6.202 42 HB1 ALA 7 HB1 ALA 7 3.302 15.879 -7.922 43 HB2 ALA 7 HB2 ALA 7 3.918 17.377 -7.226 44 HB3 ALA 7 HB3 ALA 7 3.050 16.223 -6.211 45 H GLY 8 H GLY 8 4.819 15.642 -4.184 46 HA2 GLY 8 HA2 GLY 8 3.598 13.129 -3.782 47 HA3 GLY 8 HA3 GLY 8 5.332 12.975 -3.543 48 H ASN 9 H ASN 9 4.304 12.362 -1.346 49 HA ASN 9 HA ASN 9 4.427 14.766 0.335 50 HB2 ASN 9 HB2 ASN 9 2.017 14.038 -0.084 51 HB3 ASN 9 HB3 ASN 9 2.395 12.595 0.855 52 HD21 ASN 9 HD21 ASN 9 0.987 13.071 2.503 53 HD22 ASN 9 HD22 ASN 9 1.243 14.369 3.613 54 H CYS 10 H CYS 10 5.299 14.456 2.380 55 HA CYS 10 HA CYS 10 7.128 12.294 2.637 56 HB2 CYS 10 HB2 CYS 10 7.616 14.520 3.546 57 HB3 CYS 10 HB3 CYS 10 6.272 14.366 4.672 58 HG CYS 10 HG CYS 10 7.742 11.834 5.567 59 H GLY 11 H GLY 11 6.917 10.372 3.608 60 HA2 GLY 11 HA2 GLY 11 4.566 9.961 5.349 61 HA3 GLY 11 HA3 GLY 11 5.027 8.787 4.125 62 H ALA 12 H ALA 12 4.746 8.089 6.799 63 HA ALA 12 HA ALA 12 7.462 7.209 7.392 64 HB1 ALA 12 HB1 ALA 12 5.725 8.658 9.389 65 HB2 ALA 12 HB2 ALA 12 7.280 9.191 8.750 66 HB3 ALA 12 HB3 ALA 12 7.196 7.774 9.797 67 H ARG 13 H ARG 13 7.528 5.346 8.794 68 HA ARG 13 HA ARG 13 4.950 3.928 8.941 69 HB2 ARG 13 HB2 ARG 13 6.685 3.113 7.221 70 HB3 ARG 13 HB3 ARG 13 7.604 2.546 8.610 71 HG2 ARG 13 HG2 ARG 13 6.289 0.750 7.649 72 HG3 ARG 13 HG3 ARG 13 5.727 1.131 9.279 73 HD2 ARG 13 HD2 ARG 13 4.386 2.634 7.146 74 HD3 ARG 13 HD3 ARG 13 4.128 0.890 7.082 75 HE ARG 13 HE ARG 13 3.643 1.442 9.666 76 HH11 ARG 13 HH11 ARG 13 1.637 2.046 10.555 77 HH12 ARG 13 HH12 ARG 13 0.480 2.877 9.570 78 HH21 ARG 13 HH21 ARG 13 2.508 2.912 6.716 79 HH22 ARG 13 HH22 ARG 13 0.979 3.374 7.381 80 H GLY 14 H GLY 14 4.367 3.153 10.875 81 HA2 GLY 14 HA2 GLY 14 6.051 3.700 13.159 82 HA3 GLY 14 HA3 GLY 14 4.412 3.069 13.197 83 H ALA 15 H ALA 15 6.545 2.158 14.818 84 HA ALA 15 HA ALA 15 7.788 -0.177 13.864 85 HB1 ALA 15 HB1 ALA 15 8.538 1.025 15.859 86 HB2 ALA 15 HB2 ALA 15 8.250 -0.683 16.197 87 HB3 ALA 15 HB3 ALA 15 7.074 0.528 16.709 88 H LEU 16 H LEU 16 4.690 0.320 15.492 89 HA LEU 16 HA LEU 16 4.140 -2.550 15.395 90 HB2 LEU 16 HB2 LEU 16 2.520 -0.297 16.595 91 HB3 LEU 16 HB3 LEU 16 2.140 -2.003 16.721 92 HG LEU 16 HG LEU 16 4.590 -0.673 17.886 93 HD11 LEU 16 HD11 LEU 16 3.545 -0.995 20.031 94 HD12 LEU 16 HD12 LEU 16 2.149 -1.765 19.276 95 HD13 LEU 16 HD13 LEU 16 2.471 -0.054 18.995 96 HD21 LEU 16 HD21 LEU 16 3.626 -3.513 17.831 97 HD22 LEU 16 HD22 LEU 16 4.669 -2.923 19.124 98 HD23 LEU 16 HD23 LEU 16 5.226 -2.876 17.453 99 H SER 17 H SER 17 2.400 -3.434 14.248 100 HA SER 17 HA SER 17 1.702 -1.984 11.861 101 HB2 SER 17 HB2 SER 17 0.390 -4.131 11.396 102 HB3 SER 17 HB3 SER 17 2.141 -4.287 11.552 103 HG SER 17 HG SER 17 0.311 -4.722 13.678 104 H ALA 18 H ALA 18 0.206 -0.438 12.015 105 HA ALA 18 HA ALA 18 -2.131 -0.799 13.718 106 HB1 ALA 18 HB1 ALA 18 -1.514 1.594 12.002 107 HB2 ALA 18 HB2 ALA 18 -0.819 1.365 13.606 108 HB3 ALA 18 HB3 ALA 18 -2.566 1.504 13.416 109 H HIS 19 H HIS 19 -1.215 -1.392 10.570 110 HA HIS 19 HA HIS 19 -3.932 -1.132 9.509 111 HB2 HIS 19 HB2 HIS 19 -1.261 -1.339 8.128 112 HB3 HIS 19 HB3 HIS 19 -2.796 -1.463 7.271 113 HD2 HIS 19 HD2 HIS 19 -4.008 0.897 6.681 114 HE1 HIS 19 HE1 HIS 19 -1.324 3.444 8.695 115 H THR 20 H THR 20 -2.833 -3.419 11.212 116 HA THR 20 HA THR 20 -2.770 -5.625 9.345 117 HB THR 20 HB THR 20 -1.344 -5.889 11.224 118 HG1 THR 20 HG1 THR 20 -3.539 -7.550 11.893 119 HG21 THR 20 HG21 THR 20 -3.751 -5.107 12.816 120 HG22 THR 20 HG22 THR 20 -2.087 -4.531 12.938 121 HG23 THR 20 HG23 THR 20 -2.515 -6.129 13.553 122 H LEU 21 H LEU 21 -4.492 -6.573 8.518 123 HA LEU 21 HA LEU 21 -6.765 -7.282 10.134 124 HB2 LEU 21 HB2 LEU 21 -6.867 -4.877 8.628 125 HB3 LEU 21 HB3 LEU 21 -7.897 -6.044 7.820 126 HG LEU 21 HG LEU 21 -8.527 -6.226 10.561 127 HD11 LEU 21 HD11 LEU 21 -9.199 -3.911 11.062 128 HD12 LEU 21 HD12 LEU 21 -8.343 -3.369 9.619 129 HD13 LEU 21 HD13 LEU 21 -7.449 -4.100 10.951 130 HD21 LEU 21 HD21 LEU 21 -10.166 -6.628 8.922 131 HD22 LEU 21 HD22 LEU 21 -9.898 -5.064 8.151 132 HD23 LEU 21 HD23 LEU 21 -10.674 -5.146 9.732 133 H LEU 22 H LEU 22 -8.463 -8.421 8.652 134 HA LEU 22 HA LEU 22 -7.172 -10.577 7.390 135 HB2 LEU 22 HB2 LEU 22 -9.334 -10.809 8.448 136 HB3 LEU 22 HB3 LEU 22 -10.056 -9.705 7.296 137 HG LEU 22 HG LEU 22 -9.605 -11.335 5.486 138 HD11 LEU 22 HD11 LEU 22 -7.760 -12.572 6.233 139 HD12 LEU 22 HD12 LEU 22 -9.112 -13.703 6.279 140 HD13 LEU 22 HD13 LEU 22 -8.533 -12.959 7.771 141 HD21 LEU 22 HD21 LEU 22 -11.787 -11.361 6.393 142 HD22 LEU 22 HD22 LEU 22 -11.253 -12.213 7.843 143 HD23 LEU 22 HD23 LEU 22 -11.277 -13.046 6.288 144 H PHE 23 H PHE 23 -9.073 -7.921 5.889 145 HA PHE 23 HA PHE 23 -8.240 -8.864 3.253 146 HB2 PHE 23 HB2 PHE 23 -10.088 -6.604 4.052 147 HB3 PHE 23 HB3 PHE 23 -9.747 -7.081 2.390 148 HD1 PHE 23 HD1 PHE 23 -11.735 -7.695 5.308 149 HD2 PHE 23 HD2 PHE 23 -10.388 -9.404 1.651 150 HE1 PHE 23 HE1 PHE 23 -13.555 -9.348 5.413 151 HE2 PHE 23 HE2 PHE 23 -12.206 -11.058 1.748 152 HZ PHE 23 HZ PHE 23 -13.793 -11.032 3.633 153 H ASP 24 H ASP 24 -7.767 -6.183 5.416 154 HA ASP 24 HA ASP 24 -5.814 -5.023 3.576 155 HB2 ASP 24 HB2 ASP 24 -5.855 -3.072 5.291 156 HB3 ASP 24 HB3 ASP 24 -7.175 -3.229 4.143 157 H LEU 25 H LEU 25 -4.513 -6.873 4.122 158 HA LEU 25 HA LEU 25 -3.477 -7.625 6.535 159 HB2 LEU 25 HB2 LEU 25 -2.057 -7.424 3.878 160 HB3 LEU 25 HB3 LEU 25 -1.456 -8.328 5.256 161 HG LEU 25 HG LEU 25 -4.067 -8.897 3.860 162 HD11 LEU 25 HD11 LEU 25 -2.147 -9.316 2.393 163 HD12 LEU 25 HD12 LEU 25 -2.966 -10.806 2.864 164 HD13 LEU 25 HD13 LEU 25 -1.444 -10.357 3.631 165 HD21 LEU 25 HD21 LEU 25 -2.633 -10.099 6.175 166 HD22 LEU 25 HD22 LEU 25 -3.578 -11.144 5.116 167 HD23 LEU 25 HD23 LEU 25 -4.356 -9.799 5.948 168 HA PRO 26 HA PRO 26 -0.898 -4.723 8.643 169 HB2 PRO 26 HB2 PRO 26 1.572 -6.132 8.203 170 HB3 PRO 26 HB3 PRO 26 0.587 -6.075 9.665 171 HG2 PRO 26 HG2 PRO 26 0.680 -8.117 7.535 172 HG3 PRO 26 HG3 PRO 26 0.192 -8.279 9.230 173 HD2 PRO 26 HD2 PRO 26 -1.605 -8.362 7.252 174 HD3 PRO 26 HD3 PRO 26 -1.978 -7.570 8.797 175 HA PRO 27 HA PRO 27 1.098 -1.691 6.186 176 HB2 PRO 27 HB2 PRO 27 3.530 -2.076 7.872 177 HB3 PRO 27 HB3 PRO 27 2.692 -0.585 7.410 178 HG2 PRO 27 HG2 PRO 27 2.367 -1.621 9.820 179 HG3 PRO 27 HG3 PRO 27 1.006 -0.893 8.951 180 HD2 PRO 27 HD2 PRO 27 1.614 -3.766 9.457 181 HD3 PRO 27 HD3 PRO 27 0.045 -2.950 9.306 182 H ALA 28 H ALA 28 2.478 -4.818 6.317 183 HA ALA 28 HA ALA 28 4.842 -4.507 4.887 184 HB1 ALA 28 HB1 ALA 28 4.617 -6.656 5.628 185 HB2 ALA 28 HB2 ALA 28 4.087 -6.877 3.962 186 HB3 ALA 28 HB3 ALA 28 2.895 -6.723 5.252 187 H LEU 29 H LEU 29 1.475 -4.618 3.744 188 HA LEU 29 HA LEU 29 2.505 -4.147 1.029 189 HB2 LEU 29 HB2 LEU 29 0.712 -6.013 1.779 190 HB3 LEU 29 HB3 LEU 29 -0.374 -4.694 1.370 191 HG LEU 29 HG LEU 29 0.564 -4.566 -0.869 192 HD11 LEU 29 HD11 LEU 29 2.660 -5.244 -1.172 193 HD12 LEU 29 HD12 LEU 29 2.056 -6.899 -1.133 194 HD13 LEU 29 HD13 LEU 29 2.655 -6.146 0.343 195 HD21 LEU 29 HD21 LEU 29 -1.051 -6.021 -1.322 196 HD22 LEU 29 HD22 LEU 29 -0.806 -6.863 0.209 197 HD23 LEU 29 HD23 LEU 29 0.157 -7.299 -1.201 198 H LEU 30 H LEU 30 -0.635 -3.253 2.476 199 HA LEU 30 HA LEU 30 -0.892 -0.888 1.006 200 HB2 LEU 30 HB2 LEU 30 -2.475 -2.339 2.777 201 HB3 LEU 30 HB3 LEU 30 -2.274 -0.787 3.567 202 HG LEU 30 HG LEU 30 -3.395 -1.244 0.799 203 HD11 LEU 30 HD11 LEU 30 -4.760 -1.836 2.901 204 HD12 LEU 30 HD12 LEU 30 -5.499 -0.813 1.669 205 HD13 LEU 30 HD13 LEU 30 -4.852 -0.092 3.143 206 HD21 LEU 30 HD21 LEU 30 -2.039 0.950 1.447 207 HD22 LEU 30 HD22 LEU 30 -3.586 1.374 2.180 208 HD23 LEU 30 HD23 LEU 30 -3.499 1.004 0.457 209 H GLY 31 H GLY 31 0.064 -1.222 4.448 210 HA2 GLY 31 HA2 GLY 31 0.309 1.523 4.954 211 HA3 GLY 31 HA3 GLY 31 1.116 0.258 5.858 212 H GLU 32 H GLU 32 2.907 -0.763 4.064 213 HA GLU 32 HA GLU 32 4.920 1.242 4.076 214 HB2 GLU 32 HB2 GLU 32 5.300 -1.193 4.425 215 HB3 GLU 32 HB3 GLU 32 4.986 -1.445 2.710 216 HG2 GLU 32 HG2 GLU 32 7.083 0.517 3.471 217 HG3 GLU 32 HG3 GLU 32 7.436 -1.199 3.649 218 H LEU 33 H LEU 33 3.063 -0.268 1.428 219 HA LEU 33 HA LEU 33 4.532 1.077 -0.588 220 HB2 LEU 33 HB2 LEU 33 1.811 -0.233 -0.715 221 HB3 LEU 33 HB3 LEU 33 2.677 0.412 -2.105 222 HG LEU 33 HG LEU 33 3.664 -1.821 -0.326 223 HD11 LEU 33 HD11 LEU 33 3.217 -3.272 -2.232 224 HD12 LEU 33 HD12 LEU 33 2.530 -1.910 -3.117 225 HD13 LEU 33 HD13 LEU 33 1.741 -2.501 -1.655 226 HD21 LEU 33 HD21 LEU 33 5.062 -1.914 -2.681 227 HD22 LEU 33 HD22 LEU 33 5.652 -1.245 -1.160 228 HD23 LEU 33 HD23 LEU 33 4.939 -0.182 -2.373 229 H CYS 34 H CYS 34 1.516 1.921 1.104 230 HA CYS 34 HA CYS 34 1.027 4.150 -0.617 231 HB2 CYS 34 HB2 CYS 34 -0.778 4.734 0.814 232 HB3 CYS 34 HB3 CYS 34 -0.746 2.975 0.730 233 HG CYS 34 HG CYS 34 0.270 2.567 3.236 234 H ALA 35 H ALA 35 2.798 3.718 2.384 235 HA ALA 35 HA ALA 35 3.068 6.573 2.800 236 HB1 ALA 35 HB1 ALA 35 3.430 4.209 4.387 237 HB2 ALA 35 HB2 ALA 35 3.242 5.889 4.896 238 HB3 ALA 35 HB3 ALA 35 4.843 5.259 4.508 239 H VAL 36 H VAL 36 5.385 3.909 2.189 240 HA VAL 36 HA VAL 36 7.625 5.611 1.977 241 HB VAL 36 HB VAL 36 7.207 2.773 1.037 242 HG11 VAL 36 HG11 VAL 36 9.864 2.946 1.166 243 HG12 VAL 36 HG12 VAL 36 9.513 4.602 0.668 244 HG13 VAL 36 HG13 VAL 36 8.967 3.247 -0.322 245 HG21 VAL 36 HG21 VAL 36 8.741 3.924 3.367 246 HG22 VAL 36 HG22 VAL 36 8.566 2.215 2.974 247 HG23 VAL 36 HG23 VAL 36 7.157 3.156 3.460 248 H LEU 37 H LEU 37 5.555 4.187 -0.572 249 HA LEU 37 HA LEU 37 7.120 5.322 -2.681 250 HB2 LEU 37 HB2 LEU 37 4.279 4.315 -2.773 251 HB3 LEU 37 HB3 LEU 37 5.269 4.700 -4.163 252 HG LEU 37 HG LEU 37 5.787 2.466 -2.201 253 HD11 LEU 37 HD11 LEU 37 3.858 2.084 -3.646 254 HD12 LEU 37 HD12 LEU 37 5.198 1.017 -4.057 255 HD13 LEU 37 HD13 LEU 37 4.851 2.421 -5.063 256 HD21 LEU 37 HD21 LEU 37 7.905 2.746 -2.924 257 HD22 LEU 37 HD22 LEU 37 7.413 3.717 -4.312 258 HD23 LEU 37 HD23 LEU 37 7.311 1.959 -4.386 259 H ASP 38 H ASP 38 4.694 6.553 -0.608 260 HA ASP 38 HA ASP 38 3.515 8.503 -2.226 261 HB2 ASP 38 HB2 ASP 38 2.772 7.802 0.090 262 HB3 ASP 38 HB3 ASP 38 4.086 8.782 0.736 263 H SER 39 H SER 39 6.534 8.502 -0.434 264 HA SER 39 HA SER 39 7.060 11.297 -1.012 265 HB2 SER 39 HB2 SER 39 8.776 9.188 0.325 266 HB3 SER 39 HB3 SER 39 9.180 10.900 0.206 267 HG SER 39 HG SER 39 6.740 10.764 1.195 268 H CYS 40 H CYS 40 7.062 8.732 -2.915 269 HA CYS 40 HA CYS 40 9.626 8.656 -4.088 270 HB2 CYS 40 HB2 CYS 40 8.030 6.845 -4.393 271 HB3 CYS 40 HB3 CYS 40 6.940 7.923 -5.268 272 HG CYS 40 HG CYS 40 8.166 6.191 -7.082 273 H ASP 41 H ASP 41 10.469 9.610 -5.859 274 HA ASP 41 HA ASP 41 8.962 11.795 -7.109 275 HB2 ASP 41 HB2 ASP 41 10.683 12.528 -5.306 276 HB3 ASP 41 HB3 ASP 41 11.896 12.083 -6.502 277 H GLY 42 H GLY 42 9.255 9.217 -8.075 278 HA2 GLY 42 HA2 GLY 42 9.512 8.528 -10.325 279 HA3 GLY 42 HA3 GLY 42 10.765 9.741 -10.528 280 H ALA 43 H ALA 43 11.824 8.625 -7.800 281 HA ALA 43 HA ALA 43 13.857 7.017 -8.902 282 HB1 ALA 43 HB1 ALA 43 14.354 6.481 -6.466 283 HB2 ALA 43 HB2 ALA 43 12.993 7.527 -6.070 284 HB3 ALA 43 HB3 ALA 43 14.387 8.182 -6.931 285 H LEU 44 H LEU 44 10.937 6.150 -7.079 286 HA LEU 44 HA LEU 44 11.441 3.321 -7.726 287 HB2 LEU 44 HB2 LEU 44 9.512 4.430 -5.663 288 HB3 LEU 44 HB3 LEU 44 9.866 2.742 -5.948 289 HG LEU 44 HG LEU 44 11.114 3.116 -4.059 290 HD11 LEU 44 HD11 LEU 44 13.016 3.890 -6.264 291 HD12 LEU 44 HD12 LEU 44 12.632 2.255 -5.723 292 HD13 LEU 44 HD13 LEU 44 13.482 3.364 -4.646 293 HD21 LEU 44 HD21 LEU 44 10.627 5.445 -3.764 294 HD22 LEU 44 HD22 LEU 44 11.700 5.886 -5.092 295 HD23 LEU 44 HD23 LEU 44 12.367 5.209 -3.608 296 H GLY 45 H GLY 45 9.410 6.008 -8.264 297 HA2 GLY 45 HA2 GLY 45 7.741 6.321 -9.822 298 HA3 GLY 45 HA3 GLY 45 7.920 4.634 -10.288 299 H TRP 46 H TRP 46 5.985 6.897 -8.608 300 HA TRP 46 HA TRP 46 4.669 5.370 -6.705 301 HB2 TRP 46 HB2 TRP 46 2.580 6.787 -7.476 302 HB3 TRP 46 HB3 TRP 46 3.962 7.562 -6.686 303 HD1 TRP 46 HD1 TRP 46 2.307 7.209 -10.147 304 HE1 TRP 46 HE1 TRP 46 3.134 9.136 -11.639 305 HE3 TRP 46 HE3 TRP 46 5.813 9.213 -7.014 306 HZ2 TRP 46 HZ2 TRP 46 5.016 11.235 -11.502 307 HZ3 TRP 46 HZ3 TRP 46 7.077 11.184 -7.768 308 HH2 TRP 46 HH2 TRP 46 6.687 12.171 -9.966 309 H ARG 47 H ARG 47 3.902 5.635 -10.175 310 HA ARG 47 HA ARG 47 1.966 3.492 -10.028 311 HB2 ARG 47 HB2 ARG 47 1.688 3.820 -12.442 312 HB3 ARG 47 HB3 ARG 47 1.516 5.329 -11.562 313 HG2 ARG 47 HG2 ARG 47 3.823 5.922 -12.188 314 HG3 ARG 47 HG3 ARG 47 3.937 4.423 -13.111 315 HD2 ARG 47 HD2 ARG 47 3.429 6.240 -14.607 316 HD3 ARG 47 HD3 ARG 47 2.028 5.176 -14.489 317 HE ARG 47 HE ARG 47 1.798 7.273 -12.619 318 HH11 ARG 47 HH11 ARG 47 0.317 8.963 -13.011 319 HH12 ARG 47 HH12 ARG 47 -0.234 9.260 -14.625 320 HH21 ARG 47 HH21 ARG 47 1.650 6.670 -16.044 321 HH22 ARG 47 HH22 ARG 47 0.528 7.951 -16.357 322 H GLY 48 H GLY 48 5.232 3.437 -9.979 323 HA2 GLY 48 HA2 GLY 48 6.005 1.717 -12.050 324 HA3 GLY 48 HA3 GLY 48 6.823 1.865 -10.505 325 H LEU 49 H LEU 49 4.785 0.909 -8.816 326 HA LEU 49 HA LEU 49 5.033 -1.916 -9.380 327 HB2 LEU 49 HB2 LEU 49 3.777 -0.474 -7.041 328 HB3 LEU 49 HB3 LEU 49 4.020 -2.206 -7.144 329 HG LEU 49 HG LEU 49 6.234 -0.141 -7.124 330 HD11 LEU 49 HD11 LEU 49 5.935 -2.097 -4.942 331 HD12 LEU 49 HD12 LEU 49 4.729 -0.813 -5.002 332 HD13 LEU 49 HD13 LEU 49 6.443 -0.411 -4.902 333 HD21 LEU 49 HD21 LEU 49 6.968 -2.044 -8.345 334 HD22 LEU 49 HD22 LEU 49 6.250 -3.154 -7.178 335 HD23 LEU 49 HD23 LEU 49 7.648 -2.181 -6.724 336 H ALA 50 H ALA 50 2.418 0.448 -9.024 337 HA ALA 50 HA ALA 50 0.272 -1.354 -9.312 338 HB1 ALA 50 HB1 ALA 50 0.109 0.931 -8.387 339 HB2 ALA 50 HB2 ALA 50 -1.109 0.569 -9.611 340 HB3 ALA 50 HB3 ALA 50 0.286 1.564 -10.024 341 H GLU 51 H GLU 51 2.032 0.544 -11.736 342 HA GLU 51 HA GLU 51 0.293 0.140 -13.884 343 HB2 GLU 51 HB2 GLU 51 2.067 1.827 -13.912 344 HB3 GLU 51 HB3 GLU 51 3.292 0.565 -13.918 345 HG2 GLU 51 HG2 GLU 51 3.072 1.441 -16.133 346 HG3 GLU 51 HG3 GLU 51 2.427 -0.199 -16.113 347 H ARG 52 H ARG 52 3.111 -1.757 -12.806 348 HA ARG 52 HA ARG 52 3.044 -3.625 -14.922 349 HB2 ARG 52 HB2 ARG 52 4.233 -3.748 -12.159 350 HB3 ARG 52 HB3 ARG 52 4.343 -5.097 -13.280 351 HG2 ARG 52 HG2 ARG 52 5.571 -3.760 -14.855 352 HG3 ARG 52 HG3 ARG 52 5.341 -2.322 -13.866 353 HD2 ARG 52 HD2 ARG 52 6.713 -3.207 -12.124 354 HD3 ARG 52 HD3 ARG 52 6.802 -4.776 -12.927 355 HE ARG 52 HE ARG 52 8.434 -3.947 -14.308 356 HH11 ARG 52 HH11 ARG 52 9.964 -2.419 -15.009 357 HH12 ARG 52 HH12 ARG 52 9.802 -0.763 -14.531 358 HH21 ARG 52 HH21 ARG 52 6.885 -1.286 -12.668 359 HH22 ARG 52 HH22 ARG 52 8.050 -0.119 -13.197 360 H LEU 53 H LEU 53 1.483 -3.589 -11.750 361 HA LEU 53 HA LEU 53 0.467 -6.240 -11.934 362 HB2 LEU 53 HB2 LEU 53 0.736 -4.745 -9.849 363 HB3 LEU 53 HB3 LEU 53 -0.805 -4.046 -10.319 364 HG LEU 53 HG LEU 53 -0.848 -6.973 -10.216 365 HD11 LEU 53 HD11 LEU 53 0.694 -6.711 -8.409 366 HD12 LEU 53 HD12 LEU 53 -0.904 -7.028 -7.729 367 HD13 LEU 53 HD13 LEU 53 -0.253 -5.388 -7.726 368 HD21 LEU 53 HD21 LEU 53 -2.553 -5.126 -8.607 369 HD22 LEU 53 HD22 LEU 53 -2.976 -6.645 -9.394 370 HD23 LEU 53 HD23 LEU 53 -2.746 -5.186 -10.358 371 H SER 54 H SER 54 -0.953 -3.046 -12.619 372 HA SER 54 HA SER 54 -2.850 -4.369 -14.413 373 HB2 SER 54 HB2 SER 54 -3.667 -2.422 -12.244 374 HB3 SER 54 HB3 SER 54 -4.724 -2.990 -13.535 375 HG SER 54 HG SER 54 -3.586 -5.097 -12.346 376 H SER 55 H SER 55 -3.128 -3.283 -16.288 377 HA SER 55 HA SER 55 -2.058 -0.540 -16.415 378 HB2 SER 55 HB2 SER 55 -2.162 -2.639 -18.599 379 HB3 SER 55 HB3 SER 55 -1.553 -0.995 -18.794 380 HG SER 55 HG SER 55 -0.358 -2.172 -16.688 381 H SER 56 H SER 56 -3.519 0.999 -16.814 382 HA SER 56 HA SER 56 -5.870 0.331 -18.430 383 HB2 SER 56 HB2 SER 56 -5.951 1.787 -15.776 384 HB3 SER 56 HB3 SER 56 -7.323 1.598 -16.869 385 HG SER 56 HG SER 56 -6.232 -0.799 -16.438 386 H TRP 57 H TRP 57 -6.777 2.069 -19.575 387 HA TRP 57 HA TRP 57 -4.926 4.295 -19.968 388 HB2 TRP 57 HB2 TRP 57 -5.689 2.934 -21.927 389 HB3 TRP 57 HB3 TRP 57 -7.327 3.511 -21.639 390 HD1 TRP 57 HD1 TRP 57 -7.988 5.599 -22.966 391 HE1 TRP 57 HE1 TRP 57 -6.726 7.459 -24.223 392 HE3 TRP 57 HE3 TRP 57 -3.193 4.300 -21.748 393 HZ2 TRP 57 HZ2 TRP 57 -4.055 8.271 -24.639 394 HZ3 TRP 57 HZ3 TRP 57 -1.343 5.670 -22.616 395 HH2 TRP 57 HH2 TRP 57 -1.767 7.614 -24.032 396 H LEU 58 H LEU 58 -5.462 6.404 -19.683 397 HA LEU 58 HA LEU 58 -6.578 8.284 -19.070 398 HB2 LEU 58 HB2 LEU 58 -8.994 6.506 -19.276 399 HB3 LEU 58 HB3 LEU 58 -9.098 8.181 -18.767 400 HG LEU 58 HG LEU 58 -7.955 7.302 -21.419 401 HD11 LEU 58 HD11 LEU 58 -10.062 8.038 -22.398 402 HD12 LEU 58 HD12 LEU 58 -10.708 8.360 -20.788 403 HD13 LEU 58 HD13 LEU 58 -10.319 6.709 -21.270 404 HD21 LEU 58 HD21 LEU 58 -8.815 9.877 -21.671 405 HD22 LEU 58 HD22 LEU 58 -7.150 9.394 -21.345 406 HD23 LEU 58 HD23 LEU 58 -8.211 9.860 -20.014 407 H ASP 59 H ASP 59 -7.137 5.349 -17.267 408 HA ASP 59 HA ASP 59 -8.046 6.535 -14.866 409 HB2 ASP 59 HB2 ASP 59 -6.716 3.889 -15.434 410 HB3 ASP 59 HB3 ASP 59 -7.215 4.364 -13.816 411 H VAL 60 H VAL 60 -4.946 6.341 -16.305 412 HA VAL 60 HA VAL 60 -3.289 6.484 -14.040 413 HB VAL 60 HB VAL 60 -1.584 7.443 -15.579 414 HG11 VAL 60 HG11 VAL 60 -1.651 5.457 -17.201 415 HG12 VAL 60 HG12 VAL 60 -3.115 4.977 -16.343 416 HG13 VAL 60 HG13 VAL 60 -1.585 5.108 -15.474 417 HG21 VAL 60 HG21 VAL 60 -3.773 8.320 -17.035 418 HG22 VAL 60 HG22 VAL 60 -3.109 7.010 -18.011 419 HG23 VAL 60 HG23 VAL 60 -2.086 8.371 -17.546 420 H ASP 61 H ASP 61 -5.348 8.832 -15.474 421 HA ASP 61 HA ASP 61 -4.036 11.209 -14.707 422 HB2 ASP 61 HB2 ASP 61 -5.964 11.063 -16.300 423 HB3 ASP 61 HB3 ASP 61 -7.022 10.766 -14.927 424 H HIS 62 H HIS 62 -6.351 9.130 -13.024 425 HA HIS 62 HA HIS 62 -6.655 10.757 -10.736 426 HB2 HIS 62 HB2 HIS 62 -8.119 8.773 -11.527 427 HB3 HIS 62 HB3 HIS 62 -6.955 7.765 -10.672 428 HD2 HIS 62 HD2 HIS 62 -7.416 7.511 -8.024 429 HE1 HIS 62 HE1 HIS 62 -10.206 10.636 -7.575 430 H ILE 63 H ILE 63 -4.213 8.480 -11.713 431 HA ILE 63 HA ILE 63 -3.092 7.853 -9.226 432 HB ILE 63 HB ILE 63 -1.819 8.055 -11.959 433 HG12 ILE 63 HG12 ILE 63 -2.385 5.626 -10.248 434 HG13 ILE 63 HG13 ILE 63 -3.497 6.228 -11.473 435 HG21 ILE 63 HG21 ILE 63 0.113 8.300 -10.796 436 HG22 ILE 63 HG22 ILE 63 -0.045 6.550 -10.649 437 HG23 ILE 63 HG23 ILE 63 -0.553 7.594 -9.322 438 HD11 ILE 63 HD11 ILE 63 -2.450 4.796 -12.822 439 HD12 ILE 63 HD12 ILE 63 -1.048 4.670 -11.758 440 HD13 ILE 63 HD13 ILE 63 -1.181 6.020 -12.886 441 H GLU 64 H GLU 64 -2.535 10.572 -11.410 442 HA GLU 64 HA GLU 64 -0.493 11.797 -9.861 443 HB2 GLU 64 HB2 GLU 64 -2.345 12.863 -11.994 444 HB3 GLU 64 HB3 GLU 64 -1.085 13.834 -11.245 445 HG2 GLU 64 HG2 GLU 64 0.624 12.387 -12.096 446 HG3 GLU 64 HG3 GLU 64 -0.579 11.248 -12.698 447 H LYS 65 H LYS 65 -3.995 12.009 -9.864 448 HA LYS 65 HA LYS 65 -4.319 14.389 -8.425 449 HB2 LYS 65 HB2 LYS 65 -6.075 11.968 -8.726 450 HB3 LYS 65 HB3 LYS 65 -6.587 13.411 -7.864 451 HG2 LYS 65 HG2 LYS 65 -6.301 14.737 -9.889 452 HG3 LYS 65 HG3 LYS 65 -5.755 13.299 -10.758 453 HD2 LYS 65 HD2 LYS 65 -7.921 12.238 -10.375 454 HD3 LYS 65 HD3 LYS 65 -8.466 13.650 -9.479 455 HE2 LYS 65 HE2 LYS 65 -8.209 15.026 -11.484 456 HE3 LYS 65 HE3 LYS 65 -7.654 13.612 -12.381 457 HZ1 LYS 65 HZ1 LYS 65 -9.799 13.421 -12.924 458 HZ2 LYS 65 HZ2 LYS 65 -10.335 14.390 -11.645 459 HZ3 LYS 65 HZ3 LYS 65 -9.994 12.756 -11.380 460 H GLU 66 H GLU 66 -4.244 11.024 -7.089 461 HA GLU 66 HA GLU 66 -4.505 12.195 -4.434 462 HB2 GLU 66 HB2 GLU 66 -4.245 9.239 -5.028 463 HB3 GLU 66 HB3 GLU 66 -4.745 9.996 -3.532 464 HG2 GLU 66 HG2 GLU 66 -6.273 10.134 -6.118 465 HG3 GLU 66 HG3 GLU 66 -6.643 9.083 -4.756 466 H VAL 67 H VAL 67 -1.892 11.665 -6.406 467 HA VAL 67 HA VAL 67 -0.024 10.432 -4.746 468 HB VAL 67 HB VAL 67 0.285 11.139 -7.188 469 HG11 VAL 67 HG11 VAL 67 0.942 13.726 -5.819 470 HG12 VAL 67 HG12 VAL 67 -0.092 13.444 -7.221 471 HG13 VAL 67 HG13 VAL 67 1.659 13.287 -7.368 472 HG21 VAL 67 HG21 VAL 67 2.205 10.849 -5.040 473 HG22 VAL 67 HG22 VAL 67 2.850 11.801 -6.377 474 HG23 VAL 67 HG23 VAL 67 2.223 10.180 -6.672 475 H ASP 68 H ASP 68 -1.209 13.740 -4.688 476 HA ASP 68 HA ASP 68 0.682 14.496 -2.604 477 HB2 ASP 68 HB2 ASP 68 -1.509 16.017 -4.024 478 HB3 ASP 68 HB3 ASP 68 -0.605 16.690 -2.669 479 H GLN 69 H GLN 69 -2.132 12.813 -2.715 480 HA GLN 69 HA GLN 69 -3.108 13.808 -0.125 481 HB2 GLN 69 HB2 GLN 69 -4.554 12.165 -2.209 482 HB3 GLN 69 HB3 GLN 69 -5.233 12.686 -0.674 483 HG2 GLN 69 HG2 GLN 69 -4.324 14.495 -2.904 484 HG3 GLN 69 HG3 GLN 69 -5.993 14.084 -2.512 485 HE21 GLN 69 HE21 GLN 69 -3.825 16.458 -2.268 486 HE22 GLN 69 HE22 GLN 69 -4.361 17.232 -0.822 487 H GLY 70 H GLY 70 -0.866 11.823 -0.668 488 HA2 GLY 70 HA2 GLY 70 -0.251 10.215 1.021 489 HA3 GLY 70 HA3 GLY 70 -1.939 9.762 1.140 490 H LYS 71 H LYS 71 -0.849 10.119 -2.066 491 HA LYS 71 HA LYS 71 0.230 8.690 -3.559 492 HB2 LYS 71 HB2 LYS 71 1.297 7.241 -2.008 493 HB3 LYS 71 HB3 LYS 71 -0.240 6.588 -1.460 494 HG2 LYS 71 HG2 LYS 71 0.895 4.950 -2.806 495 HG3 LYS 71 HG3 LYS 71 -0.545 5.514 -3.659 496 HD2 LYS 71 HD2 LYS 71 1.376 5.290 -5.173 497 HD3 LYS 71 HD3 LYS 71 0.842 6.965 -5.053 498 HE2 LYS 71 HE2 LYS 71 2.817 6.395 -3.061 499 HE3 LYS 71 HE3 LYS 71 3.413 5.951 -4.655 500 HZ1 LYS 71 HZ1 LYS 71 2.726 8.209 -5.405 501 HZ2 LYS 71 HZ2 LYS 71 3.984 8.203 -4.271 502 HZ3 LYS 71 HZ3 LYS 71 2.412 8.607 -3.790 503 H SER 72 H SER 72 -0.624 7.717 -5.306 504 HA SER 72 HA SER 72 -3.405 6.779 -5.173 505 HB2 SER 72 HB2 SER 72 -2.893 9.166 -6.166 506 HB3 SER 72 HB3 SER 72 -2.440 8.237 -7.582 507 HG SER 72 HG SER 72 -4.605 8.675 -7.777 508 H GLY 73 H GLY 73 -0.213 6.570 -6.599 509 HA2 GLY 73 HA2 GLY 73 -0.694 4.886 -8.748 510 HA3 GLY 73 HA3 GLY 73 0.779 4.868 -7.781 511 H THR 74 H THR 74 0.488 3.703 -5.601 512 HA THR 74 HA THR 74 -0.617 1.098 -6.200 513 HB THR 74 HB THR 74 0.884 1.945 -3.716 514 HG1 THR 74 HG1 THR 74 1.832 1.974 -6.104 515 HG21 THR 74 HG21 THR 74 0.812 -0.208 -3.072 516 HG22 THR 74 HG22 THR 74 1.150 -0.791 -4.700 517 HG23 THR 74 HG23 THR 74 -0.502 -0.379 -4.236 518 H ARG 75 H ARG 75 -1.219 3.784 -4.003 519 HA ARG 75 HA ARG 75 -2.919 2.482 -2.188 520 HB2 ARG 75 HB2 ARG 75 -1.906 4.762 -1.873 521 HB3 ARG 75 HB3 ARG 75 -3.076 5.383 -3.023 522 HG2 ARG 75 HG2 ARG 75 -4.896 4.767 -1.582 523 HG3 ARG 75 HG3 ARG 75 -3.786 4.008 -0.444 524 HD2 ARG 75 HD2 ARG 75 -2.725 6.193 -0.056 525 HD3 ARG 75 HD3 ARG 75 -3.881 6.936 -1.160 526 HE ARG 75 HE ARG 75 -4.375 6.045 1.552 527 HH11 ARG 75 HH11 ARG 75 -6.388 6.592 2.465 528 HH12 ARG 75 HH12 ARG 75 -7.648 7.213 1.451 529 HH21 ARG 75 HH21 ARG 75 -5.747 7.062 -1.485 530 HH22 ARG 75 HH22 ARG 75 -7.283 7.482 -0.802 531 H GLU 76 H GLU 76 -3.706 4.295 -5.168 532 HA GLU 76 HA GLU 76 -6.499 4.042 -4.960 533 HB2 GLU 76 HB2 GLU 76 -5.458 5.630 -6.484 534 HB3 GLU 76 HB3 GLU 76 -4.763 4.319 -7.428 535 HG2 GLU 76 HG2 GLU 76 -7.103 3.575 -7.936 536 HG3 GLU 76 HG3 GLU 76 -7.668 5.038 -7.134 537 H LEU 77 H LEU 77 -4.079 1.986 -6.518 538 HA LEU 77 HA LEU 77 -5.841 0.175 -7.742 539 HB2 LEU 77 HB2 LEU 77 -3.474 0.325 -8.312 540 HB3 LEU 77 HB3 LEU 77 -3.032 -0.240 -6.713 541 HG LEU 77 HG LEU 77 -4.088 -2.423 -7.213 542 HD11 LEU 77 HD11 LEU 77 -4.658 -1.077 -9.827 543 HD12 LEU 77 HD12 LEU 77 -5.742 -2.008 -8.794 544 HD13 LEU 77 HD13 LEU 77 -4.486 -2.827 -9.721 545 HD21 LEU 77 HD21 LEU 77 -2.087 -3.086 -7.905 546 HD22 LEU 77 HD22 LEU 77 -1.666 -1.393 -8.159 547 HD23 LEU 77 HD23 LEU 77 -2.332 -2.344 -9.486 548 H LEU 78 H LEU 78 -4.254 0.056 -4.556 549 HA LEU 78 HA LEU 78 -5.337 -2.458 -3.820 550 HB2 LEU 78 HB2 LEU 78 -4.257 -0.206 -2.111 551 HB3 LEU 78 HB3 LEU 78 -4.639 -1.812 -1.508 552 HG LEU 78 HG LEU 78 -2.535 -1.167 -3.585 553 HD11 LEU 78 HD11 LEU 78 -2.059 -2.214 -0.816 554 HD12 LEU 78 HD12 LEU 78 -2.146 -0.484 -1.149 555 HD13 LEU 78 HD13 LEU 78 -0.917 -1.474 -1.936 556 HD21 LEU 78 HD21 LEU 78 -3.857 -3.627 -2.892 557 HD22 LEU 78 HD22 LEU 78 -2.142 -3.717 -2.494 558 HD23 LEU 78 HD23 LEU 78 -2.646 -3.316 -4.136 559 H TRP 79 H TRP 79 -6.435 0.859 -3.308 560 HA TRP 79 HA TRP 79 -8.656 0.066 -1.657 561 HB2 TRP 79 HB2 TRP 79 -7.693 2.677 -2.756 562 HB3 TRP 79 HB3 TRP 79 -9.312 2.553 -2.072 563 HD1 TRP 79 HD1 TRP 79 -5.692 2.837 -1.096 564 HE1 TRP 79 HE1 TRP 79 -5.496 2.932 1.470 565 HE3 TRP 79 HE3 TRP 79 -10.494 1.584 0.133 566 HZ2 TRP 79 HZ2 TRP 79 -7.156 2.527 3.716 567 HZ3 TRP 79 HZ3 TRP 79 -11.110 1.462 2.512 568 HH2 TRP 79 HH2 TRP 79 -9.474 1.922 4.265 569 H SER 80 H SER 80 -8.218 -0.122 -4.948 570 HA SER 80 HA SER 80 -10.599 0.889 -6.012 571 HB2 SER 80 HB2 SER 80 -8.867 -1.406 -6.935 572 HB3 SER 80 HB3 SER 80 -10.224 -0.777 -7.868 573 HG SER 80 HG SER 80 -8.177 0.937 -6.942 574 H TRP 81 H TRP 81 -9.971 -2.315 -4.575 575 HA TRP 81 HA TRP 81 -12.687 -3.147 -5.192 576 HB2 TRP 81 HB2 TRP 81 -10.389 -4.520 -3.790 577 HB3 TRP 81 HB3 TRP 81 -11.995 -5.234 -3.909 578 HD1 TRP 81 HD1 TRP 81 -8.834 -4.657 -5.889 579 HE1 TRP 81 HE1 TRP 81 -9.046 -5.797 -8.188 580 HE3 TRP 81 HE3 TRP 81 -13.810 -5.831 -5.759 581 HZ2 TRP 81 HZ2 TRP 81 -11.056 -7.030 -9.740 582 HZ3 TRP 81 HZ3 TRP 81 -14.799 -6.991 -7.691 583 HH2 TRP 81 HH2 TRP 81 -13.449 -7.576 -9.639 584 H ALA 82 H ALA 82 -11.202 -3.878 -2.096 585 HA ALA 82 HA ALA 82 -13.447 -2.509 -0.768 586 HB1 ALA 82 HB1 ALA 82 -13.760 -4.528 0.152 587 HB2 ALA 82 HB2 ALA 82 -12.340 -4.165 1.136 588 HB3 ALA 82 HB3 ALA 82 -12.171 -5.101 -0.351 589 H GLN 83 H GLN 83 -10.502 -3.640 0.753 590 HA GLN 83 HA GLN 83 -9.787 -0.853 1.381 591 HB2 GLN 83 HB2 GLN 83 -9.010 -3.378 2.872 592 HB3 GLN 83 HB3 GLN 83 -8.593 -1.733 3.338 593 HG2 GLN 83 HG2 GLN 83 -10.372 -1.921 4.681 594 HG3 GLN 83 HG3 GLN 83 -11.285 -1.547 3.220 595 HE21 GLN 83 HE21 GLN 83 -12.208 -3.015 5.491 596 HE22 GLN 83 HE22 GLN 83 -12.610 -4.603 4.945 597 H LYS 84 H LYS 84 -8.313 -4.052 0.919 598 HA LYS 84 HA LYS 84 -6.338 -2.807 -0.854 599 HB2 LYS 84 HB2 LYS 84 -4.977 -3.126 1.018 600 HB3 LYS 84 HB3 LYS 84 -5.816 -4.589 1.506 601 HG2 LYS 84 HG2 LYS 84 -4.707 -5.890 -0.096 602 HG3 LYS 84 HG3 LYS 84 -4.150 -4.477 -0.980 603 HD2 LYS 84 HD2 LYS 84 -2.305 -5.419 0.230 604 HD3 LYS 84 HD3 LYS 84 -2.737 -3.878 0.970 605 HE2 LYS 84 HE2 LYS 84 -2.259 -5.709 2.596 606 HE3 LYS 84 HE3 LYS 84 -3.860 -4.979 2.767 607 HZ1 LYS 84 HZ1 LYS 84 -3.446 -7.599 2.672 608 HZ2 LYS 84 HZ2 LYS 84 -3.689 -7.309 1.024 609 HZ3 LYS 84 HZ3 LYS 84 -4.886 -6.877 2.145 610 H ASN 85 H ASN 85 -7.911 -5.767 0.245 611 HA ASN 85 HA ASN 85 -8.465 -7.735 -0.747 612 HB2 ASN 85 HB2 ASN 85 -9.902 -5.939 -1.931 613 HB3 ASN 85 HB3 ASN 85 -8.844 -6.218 -3.311 614 HD21 ASN 85 HD21 ASN 85 -10.200 -7.239 -4.675 615 HD22 ASN 85 HD22 ASN 85 -10.991 -8.735 -4.329 616 H LYS 86 H LYS 86 -5.683 -7.171 -0.790 617 HA LYS 86 HA LYS 86 -4.894 -8.848 -3.052 618 HB2 LYS 86 HB2 LYS 86 -4.099 -6.068 -2.598 619 HB3 LYS 86 HB3 LYS 86 -2.719 -7.150 -2.709 620 HG2 LYS 86 HG2 LYS 86 -2.986 -6.508 -4.893 621 HG3 LYS 86 HG3 LYS 86 -3.914 -8.008 -4.861 622 HD2 LYS 86 HD2 LYS 86 -5.826 -6.227 -4.162 623 HD3 LYS 86 HD3 LYS 86 -4.815 -5.220 -5.200 624 HE2 LYS 86 HE2 LYS 86 -6.062 -7.869 -5.925 625 HE3 LYS 86 HE3 LYS 86 -6.563 -6.282 -6.503 626 HZ1 LYS 86 HZ1 LYS 86 -3.783 -6.855 -6.967 627 HZ2 LYS 86 HZ2 LYS 86 -4.956 -6.262 -8.031 628 HZ3 LYS 86 HZ3 LYS 86 -4.827 -7.927 -7.758 629 H THR 87 H THR 87 -2.559 -9.663 -2.651 630 HA THR 87 HA THR 87 -2.136 -9.944 0.244 631 HB THR 87 HB THR 87 -1.381 -12.242 -0.066 632 HG1 THR 87 HG1 THR 87 -2.433 -12.441 -2.637 633 HG21 THR 87 HG21 THR 87 -4.137 -11.467 -0.910 634 HG22 THR 87 HG22 THR 87 -3.598 -12.293 0.553 635 HG23 THR 87 HG23 THR 87 -3.666 -13.166 -0.979 636 H ILE 88 H ILE 88 0.053 -10.462 0.866 637 HA ILE 88 HA ILE 88 1.928 -8.737 -0.274 638 HB ILE 88 HB ILE 88 2.036 -10.854 1.820 639 HG12 ILE 88 HG12 ILE 88 2.915 -8.866 3.128 640 HG13 ILE 88 HG13 ILE 88 2.627 -7.888 1.697 641 HG21 ILE 88 HG21 ILE 88 4.453 -9.650 0.514 642 HG22 ILE 88 HG22 ILE 88 4.111 -11.345 0.857 643 HG23 ILE 88 HG23 ILE 88 4.476 -10.235 2.177 644 HD11 ILE 88 HD11 ILE 88 0.833 -7.675 3.320 645 HD12 ILE 88 HD12 ILE 88 0.548 -9.415 3.247 646 HD13 ILE 88 HD13 ILE 88 0.251 -8.412 1.826 647 H GLY 89 H GLY 89 1.499 -12.234 -0.700 648 HA2 GLY 89 HA2 GLY 89 3.865 -12.718 -2.143 649 HA3 GLY 89 HA3 GLY 89 2.398 -13.683 -2.247 650 H ASP 90 H ASP 90 0.668 -11.677 -3.247 651 HA ASP 90 HA ASP 90 1.166 -11.887 -6.018 652 HB2 ASP 90 HB2 ASP 90 -0.801 -10.235 -4.438 653 HB3 ASP 90 HB3 ASP 90 -0.749 -10.215 -6.197 654 H LEU 91 H LEU 91 1.603 -9.203 -3.748 655 HA LEU 91 HA LEU 91 2.461 -7.394 -5.835 656 HB2 LEU 91 HB2 LEU 91 1.663 -7.175 -3.096 657 HB3 LEU 91 HB3 LEU 91 3.224 -6.405 -3.291 658 HG LEU 91 HG LEU 91 1.689 -4.665 -3.593 659 HD11 LEU 91 HD11 LEU 91 3.343 -5.301 -5.624 660 HD12 LEU 91 HD12 LEU 91 2.340 -3.851 -5.585 661 HD13 LEU 91 HD13 LEU 91 1.797 -5.274 -6.474 662 HD21 LEU 91 HD21 LEU 91 0.072 -6.609 -5.234 663 HD22 LEU 91 HD22 LEU 91 -0.269 -4.880 -5.149 664 HD23 LEU 91 HD23 LEU 91 -0.359 -5.871 -3.691 665 H LEU 92 H LEU 92 3.944 -9.639 -3.668 666 HA LEU 92 HA LEU 92 6.524 -8.595 -3.460 667 HB2 LEU 92 HB2 LEU 92 5.711 -10.476 -2.123 668 HB3 LEU 92 HB3 LEU 92 5.649 -11.482 -3.556 669 HG LEU 92 HG LEU 92 8.107 -11.309 -3.764 670 HD11 LEU 92 HD11 LEU 92 9.192 -10.521 -1.502 671 HD12 LEU 92 HD12 LEU 92 7.741 -9.522 -1.412 672 HD13 LEU 92 HD13 LEU 92 8.831 -9.370 -2.790 673 HD21 LEU 92 HD21 LEU 92 8.645 -12.726 -1.826 674 HD22 LEU 92 HD22 LEU 92 7.141 -13.208 -2.613 675 HD23 LEU 92 HD23 LEU 92 7.094 -12.299 -1.102 676 H GLN 93 H GLN 93 5.074 -10.609 -5.973 677 HA GLN 93 HA GLN 93 7.405 -11.138 -7.452 678 HB2 GLN 93 HB2 GLN 93 4.506 -10.918 -8.281 679 HB3 GLN 93 HB3 GLN 93 5.780 -11.464 -9.364 680 HG2 GLN 93 HG2 GLN 93 6.222 -13.370 -8.000 681 HG3 GLN 93 HG3 GLN 93 5.146 -12.780 -6.734 682 HE21 GLN 93 HE21 GLN 93 3.006 -13.169 -6.870 683 HE22 GLN 93 HE22 GLN 93 2.265 -14.081 -8.139 684 H VAL 94 H VAL 94 5.088 -8.468 -7.595 685 HA VAL 94 HA VAL 94 6.277 -7.141 -9.812 686 HB VAL 94 HB VAL 94 4.472 -6.079 -7.625 687 HG11 VAL 94 HG11 VAL 94 5.951 -4.423 -8.986 688 HG12 VAL 94 HG12 VAL 94 4.235 -4.082 -8.755 689 HG13 VAL 94 HG13 VAL 94 4.802 -4.756 -10.282 690 HG21 VAL 94 HG21 VAL 94 2.879 -6.123 -9.721 691 HG22 VAL 94 HG22 VAL 94 3.130 -7.566 -8.739 692 HG23 VAL 94 HG23 VAL 94 3.995 -7.377 -10.264 693 H LEU 95 H LEU 95 6.577 -6.866 -6.309 694 HA LEU 95 HA LEU 95 8.240 -4.623 -6.139 695 HB2 LEU 95 HB2 LEU 95 7.587 -6.927 -4.402 696 HB3 LEU 95 HB3 LEU 95 9.090 -6.105 -4.040 697 HG LEU 95 HG LEU 95 7.935 -4.034 -3.618 698 HD11 LEU 95 HD11 LEU 95 5.460 -3.922 -3.705 699 HD12 LEU 95 HD12 LEU 95 5.455 -5.491 -4.512 700 HD13 LEU 95 HD13 LEU 95 6.212 -4.102 -5.290 701 HD21 LEU 95 HD21 LEU 95 6.506 -6.335 -2.297 702 HD22 LEU 95 HD22 LEU 95 6.579 -4.679 -1.697 703 HD23 LEU 95 HD23 LEU 95 8.049 -5.649 -1.790 704 H GLN 96 H GLN 96 8.981 -8.015 -6.704 705 HA GLN 96 HA GLN 96 11.775 -7.878 -6.435 706 HB2 GLN 96 HB2 GLN 96 10.003 -9.723 -8.035 707 HB3 GLN 96 HB3 GLN 96 11.746 -9.930 -7.926 708 HG2 GLN 96 HG2 GLN 96 11.624 -10.302 -5.570 709 HG3 GLN 96 HG3 GLN 96 9.914 -9.869 -5.541 710 HE21 GLN 96 HE21 GLN 96 11.259 -12.329 -4.698 711 HE22 GLN 96 HE22 GLN 96 10.517 -13.604 -5.595 712 H GLU 97 H GLU 97 9.662 -7.297 -9.224 713 HA GLU 97 HA GLU 97 11.687 -7.104 -11.172 714 HB2 GLU 97 HB2 GLU 97 9.293 -7.305 -11.736 715 HB3 GLU 97 HB3 GLU 97 9.000 -5.691 -11.098 716 HG2 GLU 97 HG2 GLU 97 9.095 -5.583 -13.483 717 HG3 GLU 97 HG3 GLU 97 10.514 -4.776 -12.820 718 H MET 98 H MET 98 10.129 -4.591 -9.182 719 HA MET 98 HA MET 98 11.764 -2.493 -10.205 720 HB2 MET 98 HB2 MET 98 9.970 -2.660 -7.798 721 HB3 MET 98 HB3 MET 98 10.910 -1.221 -8.171 722 HG2 MET 98 HG2 MET 98 8.795 -2.484 -9.903 723 HG3 MET 98 HG3 MET 98 8.668 -0.973 -9.005 724 HE1 MET 98 HE1 MET 98 10.077 1.165 -9.512 725 HE2 MET 98 HE2 MET 98 11.147 1.361 -10.902 726 HE3 MET 98 HE3 MET 98 11.625 0.318 -9.561 727 H GLY 99 H GLY 99 12.040 -4.626 -7.413 728 HA2 GLY 99 HA2 GLY 99 13.964 -5.136 -6.214 729 HA3 GLY 99 HA3 GLY 99 14.841 -3.962 -7.185 730 H HIS 100 H HIS 100 11.903 -3.254 -5.406 731 HA HIS 100 HA HIS 100 13.024 -0.979 -4.137 732 HB2 HIS 100 HB2 HIS 100 10.541 -1.569 -4.702 733 HB3 HIS 100 HB3 HIS 100 10.555 -2.359 -3.128 734 HD2 HIS 100 HD2 HIS 100 9.845 0.990 -4.598 735 HE1 HIS 100 HE1 HIS 100 10.728 1.768 -0.559 736 H ARG 101 H ARG 101 14.569 -1.158 -2.652 737 HA ARG 101 HA ARG 101 15.090 -3.408 -1.066 738 HB2 ARG 101 HB2 ARG 101 15.975 -0.543 -0.872 739 HB3 ARG 101 HB3 ARG 101 16.593 -1.803 0.191 740 HG2 ARG 101 HG2 ARG 101 17.497 -3.008 -1.703 741 HG3 ARG 101 HG3 ARG 101 16.796 -1.831 -2.817 742 HD2 ARG 101 HD2 ARG 101 19.144 -1.358 -2.514 743 HD3 ARG 101 HD3 ARG 101 18.185 -0.074 -1.780 744 HE ARG 101 HE ARG 101 18.825 -2.048 0.143 745 HH11 ARG 101 HH11 ARG 101 20.405 -1.604 1.723 746 HH12 ARG 101 HH12 ARG 101 21.542 -0.324 1.459 747 HH21 ARG 101 HH21 ARG 101 20.239 0.569 -1.666 748 HH22 ARG 101 HH22 ARG 101 21.446 0.918 -0.474 749 H ARG 102 H ARG 102 13.471 -0.345 -0.186 750 HA ARG 102 HA ARG 102 13.251 -0.942 2.569 751 HB2 ARG 102 HB2 ARG 102 12.983 1.341 1.675 752 HB3 ARG 102 HB3 ARG 102 11.484 0.852 0.901 753 HG2 ARG 102 HG2 ARG 102 10.969 2.042 2.916 754 HG3 ARG 102 HG3 ARG 102 10.541 0.341 3.130 755 HD2 ARG 102 HD2 ARG 102 12.562 -0.053 4.389 756 HD3 ARG 102 HD3 ARG 102 13.114 1.595 4.087 757 HE ARG 102 HE ARG 102 10.657 1.804 5.337 758 HH11 ARG 102 HH11 ARG 102 10.457 2.164 7.581 759 HH12 ARG 102 HH12 ARG 102 11.753 1.712 8.637 760 HH21 ARG 102 HH21 ARG 102 13.798 0.494 6.070 761 HH22 ARG 102 HH22 ARG 102 13.658 0.761 7.776 762 H ALA 103 H ALA 103 11.102 -1.497 -0.163 763 HA ALA 103 HA ALA 103 8.869 -2.422 1.265 764 HB1 ALA 103 HB1 ALA 103 7.976 -3.003 -0.764 765 HB2 ALA 103 HB2 ALA 103 9.514 -3.587 -1.401 766 HB3 ALA 103 HB3 ALA 103 9.211 -1.852 -1.279 767 H ILE 104 H ILE 104 11.725 -4.117 0.029 768 HA ILE 104 HA ILE 104 10.885 -6.738 0.619 769 HB ILE 104 HB ILE 104 13.656 -5.553 0.395 770 HG12 ILE 104 HG12 ILE 104 12.167 -7.400 -1.479 771 HG13 ILE 104 HG13 ILE 104 12.147 -5.646 -1.631 772 HG21 ILE 104 HG21 ILE 104 13.721 -8.351 -0.038 773 HG22 ILE 104 HG22 ILE 104 12.921 -8.072 1.511 774 HG23 ILE 104 HG23 ILE 104 14.534 -7.418 1.221 775 HD11 ILE 104 HD11 ILE 104 13.894 -7.293 -2.883 776 HD12 ILE 104 HD12 ILE 104 14.824 -6.817 -1.462 777 HD13 ILE 104 HD13 ILE 104 14.182 -5.585 -2.549 778 H HIS 105 H HIS 105 12.745 -4.394 2.550 779 HA HIS 105 HA HIS 105 13.179 -6.115 4.747 780 HB2 HIS 105 HB2 HIS 105 13.250 -3.124 4.451 781 HB3 HIS 105 HB3 HIS 105 13.529 -3.900 6.005 782 HD2 HIS 105 HD2 HIS 105 15.436 -2.922 2.886 783 HE1 HIS 105 HE1 HIS 105 17.933 -5.607 4.962 784 H LEU 106 H LEU 106 10.580 -3.779 4.076 785 HA LEU 106 HA LEU 106 9.375 -4.269 6.657 786 HB2 LEU 106 HB2 LEU 106 9.123 -2.304 4.587 787 HB3 LEU 106 HB3 LEU 106 7.534 -2.907 5.021 788 HG LEU 106 HG LEU 106 7.749 -2.186 7.265 789 HD11 LEU 106 HD11 LEU 106 9.725 -2.560 8.241 790 HD12 LEU 106 HD12 LEU 106 10.180 -0.967 7.634 791 HD13 LEU 106 HD13 LEU 106 10.606 -2.413 6.718 792 HD21 LEU 106 HD21 LEU 106 8.972 -0.132 5.431 793 HD22 LEU 106 HD22 LEU 106 8.371 0.212 7.053 794 HD23 LEU 106 HD23 LEU 106 7.261 -0.351 5.803 795 H ILE 107 H ILE 107 9.042 -5.638 3.497 796 HA ILE 107 HA ILE 107 6.389 -6.595 3.730 797 HB ILE 107 HB ILE 107 7.901 -6.479 1.623 798 HG12 ILE 107 HG12 ILE 107 6.659 -8.620 0.736 799 HG13 ILE 107 HG13 ILE 107 5.861 -8.547 2.303 800 HG21 ILE 107 HG21 ILE 107 8.561 -9.272 2.546 801 HG22 ILE 107 HG22 ILE 107 9.694 -7.921 2.468 802 HG23 ILE 107 HG23 ILE 107 8.979 -8.560 0.988 803 HD11 ILE 107 HD11 ILE 107 5.890 -6.403 0.195 804 HD12 ILE 107 HD12 ILE 107 5.174 -6.230 1.797 805 HD13 ILE 107 HD13 ILE 107 4.526 -7.418 0.665 806 H THR 108 H THR 108 9.324 -7.609 5.178 807 HA THR 108 HA THR 108 8.699 -10.351 5.611 808 HB THR 108 HB THR 108 10.527 -10.346 7.236 809 HG1 THR 108 HG1 THR 108 10.955 -7.587 6.748 810 HG21 THR 108 HG21 THR 108 11.219 -10.582 4.968 811 HG22 THR 108 HG22 THR 108 12.335 -9.444 5.724 812 HG23 THR 108 HG23 THR 108 11.051 -8.851 4.669 813 H ASN 109 H ASN 109 7.406 -7.547 6.957 814 HA ASN 109 HA ASN 109 6.980 -8.425 9.634 815 HB2 ASN 109 HB2 ASN 109 6.839 -6.028 8.706 816 HB3 ASN 109 HB3 ASN 109 5.216 -6.461 8.181 817 HD21 ASN 109 HD21 ASN 109 4.114 -5.118 9.529 818 HD22 ASN 109 HD22 ASN 109 4.100 -5.289 11.247 819 H TYR 110 H TYR 110 5.367 -9.005 6.620 820 HA TYR 110 HA TYR 110 2.867 -9.869 7.689 821 HB2 TYR 110 HB2 TYR 110 3.000 -9.142 5.387 822 HB3 TYR 110 HB3 TYR 110 4.213 -10.361 5.026 823 HD1 TYR 110 HD1 TYR 110 0.648 -10.008 6.107 824 HD2 TYR 110 HD2 TYR 110 3.572 -12.410 4.149 825 HE1 TYR 110 HE1 TYR 110 -1.110 -11.563 5.390 826 HE2 TYR 110 HE2 TYR 110 1.813 -13.966 3.428 827 HH TYR 110 HH TYR 110 -0.361 -14.602 3.838 828 H GLY 111 H GLY 111 2.319 -11.784 8.556 829 HA2 GLY 111 HA2 GLY 111 4.340 -13.711 9.145 830 HA3 GLY 111 HA3 GLY 111 2.635 -13.843 9.541 831 H ALA 112 H ALA 112 4.583 -15.809 8.470 832 HA ALA 112 HA ALA 112 3.488 -16.389 5.826 833 HB1 ALA 112 HB1 ALA 112 5.972 -16.514 6.355 834 HB2 ALA 112 HB2 ALA 112 5.267 -17.903 5.526 835 HB3 ALA 112 HB3 ALA 112 5.597 -17.983 7.258 836 H VAL 113 H VAL 113 2.674 -18.506 5.319 837 HA VAL 113 HA VAL 113 1.487 -20.424 5.627 838 HB VAL 113 HB VAL 113 2.187 -20.148 8.559 839 HG11 VAL 113 HG11 VAL 113 0.850 -21.868 9.005 840 HG12 VAL 113 HG12 VAL 113 1.615 -22.833 7.742 841 HG13 VAL 113 HG13 VAL 113 0.246 -21.793 7.349 842 HG21 VAL 113 HG21 VAL 113 3.363 -22.052 6.544 843 HG22 VAL 113 HG22 VAL 113 3.927 -21.713 8.181 844 HG23 VAL 113 HG23 VAL 113 4.081 -20.486 6.924 845 H LEU 114 H LEU 114 -0.668 -20.819 5.788 846 HA LEU 114 HA LEU 114 -2.886 -20.447 6.082 847 HB2 LEU 114 HB2 LEU 114 -1.894 -19.095 8.587 848 HB3 LEU 114 HB3 LEU 114 -3.597 -19.268 8.207 849 HG LEU 114 HG LEU 114 -1.695 -21.595 8.509 850 HD11 LEU 114 HD11 LEU 114 -3.673 -20.479 10.492 851 HD12 LEU 114 HD12 LEU 114 -1.916 -20.383 10.617 852 HD13 LEU 114 HD13 LEU 114 -2.720 -21.950 10.689 853 HD21 LEU 114 HD21 LEU 114 -4.658 -21.342 8.098 854 HD22 LEU 114 HD22 LEU 114 -3.949 -22.774 8.843 855 HD23 LEU 114 HD23 LEU 114 -3.493 -22.318 7.203 856 H SER 115 H SER 115 -1.504 -18.748 4.372 857 HA SER 115 HA SER 115 -2.182 -16.014 4.796 858 HB2 SER 115 HB2 SER 115 -1.385 -17.497 2.279 859 HB3 SER 115 HB3 SER 115 -1.525 -15.742 2.409 860 HG SER 115 HG SER 115 0.022 -16.848 4.375 861 HA PRO 116 HA PRO 116 -6.433 -16.295 3.526 862 HB2 PRO 116 HB2 PRO 116 -7.002 -13.665 3.468 863 HB3 PRO 116 HB3 PRO 116 -6.757 -14.540 4.986 864 HG2 PRO 116 HG2 PRO 116 -4.850 -12.790 3.477 865 HG3 PRO 116 HG3 PRO 116 -5.169 -12.852 5.221 866 HD2 PRO 116 HD2 PRO 116 -3.031 -14.070 4.049 867 HD3 PRO 116 HD3 PRO 116 -3.801 -14.672 5.530 868 H SER 117 H SER 117 -5.073 -16.960 1.384 869 HA SER 117 HA SER 117 -5.306 -15.000 -0.730 870 HB2 SER 117 HB2 SER 117 -4.397 -16.749 -2.175 871 HB3 SER 117 HB3 SER 117 -3.448 -16.639 -0.692 872 HG SER 117 HG SER 117 -3.988 -18.814 -1.308 873 H GLU 118 H GLU 118 -7.377 -17.146 0.777 874 HA GLU 118 HA GLU 118 -9.243 -17.060 -1.494 875 HB2 GLU 118 HB2 GLU 118 -8.884 -19.364 0.439 876 HB3 GLU 118 HB3 GLU 118 -10.108 -19.269 -0.817 877 HG2 GLU 118 HG2 GLU 118 -7.148 -19.244 -1.351 878 HG3 GLU 118 HG3 GLU 118 -8.147 -20.695 -1.378 879 H LYS 119 H LYS 119 -11.497 -17.066 -0.893 880 HA LYS 119 HA LYS 119 -12.081 -15.316 1.247 881 HB2 LYS 119 HB2 LYS 119 -13.865 -16.997 -0.515 882 HB3 LYS 119 HB3 LYS 119 -14.482 -15.860 0.675 883 HG2 LYS 119 HG2 LYS 119 -13.247 -14.048 -0.488 884 HG3 LYS 119 HG3 LYS 119 -12.790 -15.214 -1.730 885 HD2 LYS 119 HD2 LYS 119 -15.645 -14.607 -0.979 886 HD3 LYS 119 HD3 LYS 119 -14.783 -13.790 -2.285 887 HE2 LYS 119 HE2 LYS 119 -14.402 -15.980 -3.360 888 HE3 LYS 119 HE3 LYS 119 -15.339 -16.750 -2.079 889 HZ1 LYS 119 HZ1 LYS 119 -16.558 -14.559 -3.608 890 HZ2 LYS 119 HZ2 LYS 119 -17.292 -15.887 -2.863 891 HZ3 LYS 119 HZ3 LYS 119 -16.457 -16.091 -4.319 892 H SER 120 H SER 120 -11.818 -18.727 1.090 893 HA SER 120 HA SER 120 -13.536 -19.525 3.151 894 HB2 SER 120 HB2 SER 120 -10.934 -20.741 2.200 895 HB3 SER 120 HB3 SER 120 -12.061 -21.537 3.299 896 HG SER 120 HG SER 120 -13.395 -21.904 1.686 897 H TYR 121 H TYR 121 -10.226 -18.309 3.224 898 HA TYR 121 HA TYR 121 -9.783 -18.869 5.989 899 HB2 TYR 121 HB2 TYR 121 -8.376 -17.057 4.026 900 HB3 TYR 121 HB3 TYR 121 -7.853 -17.248 5.695 901 HD1 TYR 121 HD1 TYR 121 -8.014 -18.801 2.395 902 HD2 TYR 121 HD2 TYR 121 -6.875 -19.362 6.456 903 HE1 TYR 121 HE1 TYR 121 -6.685 -20.765 1.744 904 HE2 TYR 121 HE2 TYR 121 -5.544 -21.327 5.816 905 HH TYR 121 HH TYR 121 -5.847 -23.046 3.395 906 H GLN 122 H GLN 122 -9.970 -17.549 7.759 907 HA GLN 122 HA GLN 122 -10.840 -14.804 7.441 908 HB2 GLN 122 HB2 GLN 122 -12.834 -15.104 8.867 909 HB3 GLN 122 HB3 GLN 122 -12.962 -15.987 7.354 910 HG2 GLN 122 HG2 GLN 122 -12.340 -18.051 8.524 911 HG3 GLN 122 HG3 GLN 122 -12.254 -17.154 10.038 912 HE21 GLN 122 HE21 GLN 122 -14.154 -19.115 8.232 913 HE22 GLN 122 HE22 GLN 122 -15.703 -18.688 8.864 914 H GLU 123 H GLU 123 -10.891 -13.636 9.492 915 HA GLU 123 HA GLU 123 -9.921 -12.941 11.416 916 HB2 GLU 123 HB2 GLU 123 -9.973 -15.883 12.117 917 HB3 GLU 123 HB3 GLU 123 -9.695 -14.572 13.254 918 HG2 GLU 123 HG2 GLU 123 -12.212 -14.918 11.637 919 HG3 GLU 123 HG3 GLU 123 -12.000 -15.479 13.294 920 H GLY 124 H GLY 124 -8.117 -15.671 12.293 921 HA2 GLY 124 HA2 GLY 124 -5.863 -15.633 10.730 922 HA3 GLY 124 HA3 GLY 124 -5.651 -14.290 11.845 Start of MODEL 17 1 H1 SER 1 HT1 SER 1 11.506 -13.877 -7.877 2 H2 SER 1 HT2 SER 1 12.870 -13.205 -8.624 3 H3 SER 1 HT3 SER 1 12.115 -12.388 -7.345 4 HA SER 1 HA SER 1 12.763 -14.031 -5.780 5 HB2 SER 1 HB2 SER 1 14.489 -15.608 -7.514 6 HB3 SER 1 HB3 SER 1 13.265 -16.146 -6.364 7 HG SER 1 HG SER 1 12.299 -14.995 -8.682 8 H GLU 2 H GLU 2 13.836 -11.659 -7.396 9 HA GLU 2 HA GLU 2 16.640 -11.913 -6.521 10 HB2 GLU 2 HB2 GLU 2 15.499 -10.333 -8.830 11 HB3 GLU 2 HB3 GLU 2 17.147 -10.155 -8.249 12 HG2 GLU 2 HG2 GLU 2 17.620 -12.470 -8.800 13 HG3 GLU 2 HG3 GLU 2 15.952 -12.704 -9.317 14 H PHE 3 H PHE 3 17.409 -10.427 -5.130 15 HA PHE 3 HA PHE 3 15.648 -8.756 -3.702 16 HB2 PHE 3 HB2 PHE 3 17.762 -9.747 -2.805 17 HB3 PHE 3 HB3 PHE 3 18.669 -8.599 -3.780 18 HD1 PHE 3 HD1 PHE 3 16.244 -8.886 -1.006 19 HD2 PHE 3 HD2 PHE 3 19.064 -6.409 -3.014 20 HE1 PHE 3 HE1 PHE 3 16.113 -7.255 0.829 21 HE2 PHE 3 HE2 PHE 3 18.935 -4.774 -1.181 22 HZ PHE 3 HZ PHE 3 17.460 -5.196 0.744 23 H GLY 4 H GLY 4 18.117 -8.009 -6.150 24 HA2 GLY 4 HA2 GLY 4 17.910 -6.310 -7.778 25 HA3 GLY 4 HA3 GLY 4 16.666 -5.555 -6.796 26 H SER 5 H SER 5 18.632 -4.013 -7.922 27 HA SER 5 HA SER 5 20.119 -3.156 -5.537 28 HB2 SER 5 HB2 SER 5 21.222 -3.289 -8.354 29 HB3 SER 5 HB3 SER 5 22.049 -2.562 -6.974 30 HG SER 5 HG SER 5 21.200 -5.086 -6.434 31 H MET 6 H MET 6 19.041 -1.344 -5.009 32 HA MET 6 HA MET 6 18.889 0.773 -7.040 33 HB2 MET 6 HB2 MET 6 16.685 0.043 -5.101 34 HB3 MET 6 HB3 MET 6 16.692 1.478 -6.115 35 HG2 MET 6 HG2 MET 6 16.713 -1.356 -7.127 36 HG3 MET 6 HG3 MET 6 15.288 -0.324 -7.008 37 HE1 MET 6 HE1 MET 6 16.257 -0.767 -10.854 38 HE2 MET 6 HE2 MET 6 14.815 -0.643 -9.843 39 HE3 MET 6 HE3 MET 6 16.053 -1.845 -9.473 40 H ALA 7 H ALA 7 18.940 2.922 -6.194 41 HA ALA 7 HA ALA 7 19.889 3.087 -3.410 42 HB1 ALA 7 HB1 ALA 7 20.875 4.935 -5.556 43 HB2 ALA 7 HB2 ALA 7 21.641 3.372 -5.274 44 HB3 ALA 7 HB3 ALA 7 21.591 4.574 -3.986 45 H GLY 8 H GLY 8 19.019 4.671 -2.160 46 HA2 GLY 8 HA2 GLY 8 17.911 7.081 -3.047 47 HA3 GLY 8 HA3 GLY 8 16.610 5.903 -2.950 48 H ASN 9 H ASN 9 16.119 7.854 -1.354 49 HA ASN 9 HA ASN 9 16.879 6.872 1.309 50 HB2 ASN 9 HB2 ASN 9 18.174 8.948 0.692 51 HB3 ASN 9 HB3 ASN 9 16.637 9.807 0.634 52 HD21 ASN 9 HD21 ASN 9 17.032 11.172 2.314 53 HD22 ASN 9 HD22 ASN 9 17.191 10.648 3.953 54 H CYS 10 H CYS 10 15.003 5.999 1.957 55 HA CYS 10 HA CYS 10 12.640 7.748 1.997 56 HB2 CYS 10 HB2 CYS 10 12.657 4.792 1.343 57 HB3 CYS 10 HB3 CYS 10 11.209 5.759 1.590 58 HG CYS 10 HG CYS 10 12.764 7.415 -0.634 59 H GLY 11 H GLY 11 11.097 7.219 3.727 60 HA2 GLY 11 HA2 GLY 11 12.420 5.814 5.962 61 HA3 GLY 11 HA3 GLY 11 11.542 7.318 6.189 62 H ALA 12 H ALA 12 11.195 4.548 7.293 63 HA ALA 12 HA ALA 12 8.753 3.518 6.226 64 HB1 ALA 12 HB1 ALA 12 10.324 2.057 7.367 65 HB2 ALA 12 HB2 ALA 12 8.767 2.050 8.197 66 HB3 ALA 12 HB3 ALA 12 10.114 2.970 8.863 67 H ARG 13 H ARG 13 6.669 3.593 7.136 68 HA ARG 13 HA ARG 13 5.984 6.091 8.312 69 HB2 ARG 13 HB2 ARG 13 3.656 5.060 8.436 70 HB3 ARG 13 HB3 ARG 13 4.373 5.232 6.841 71 HG2 ARG 13 HG2 ARG 13 3.668 3.116 6.588 72 HG3 ARG 13 HG3 ARG 13 5.156 2.721 7.447 73 HD2 ARG 13 HD2 ARG 13 3.269 3.294 9.430 74 HD3 ARG 13 HD3 ARG 13 2.426 2.304 8.238 75 HE ARG 13 HE ARG 13 4.688 0.928 8.561 76 HH11 ARG 13 HH11 ARG 13 5.143 -0.629 10.157 77 HH12 ARG 13 HH12 ARG 13 4.344 -0.537 11.692 78 HH21 ARG 13 HH21 ARG 13 2.508 2.330 10.886 79 HH22 ARG 13 HH22 ARG 13 2.841 1.145 12.108 80 H GLY 14 H GLY 14 6.685 2.963 9.669 81 HA2 GLY 14 HA2 GLY 14 6.838 3.974 12.291 82 HA3 GLY 14 HA3 GLY 14 5.286 3.177 12.096 83 H ALA 15 H ALA 15 6.686 2.077 13.976 84 HA ALA 15 HA ALA 15 8.302 -0.095 12.858 85 HB1 ALA 15 HB1 ALA 15 9.179 1.243 14.764 86 HB2 ALA 15 HB2 ALA 15 9.097 -0.490 15.081 87 HB3 ALA 15 HB3 ALA 15 7.880 0.589 15.761 88 H LEU 16 H LEU 16 5.341 0.452 14.700 89 HA LEU 16 HA LEU 16 4.813 -2.439 14.699 90 HB2 LEU 16 HB2 LEU 16 3.399 -0.222 16.190 91 HB3 LEU 16 HB3 LEU 16 3.033 -1.930 16.319 92 HG LEU 16 HG LEU 16 5.635 -0.637 17.150 93 HD11 LEU 16 HD11 LEU 16 3.714 -0.045 18.581 94 HD12 LEU 16 HD12 LEU 16 4.914 -1.030 19.416 95 HD13 LEU 16 HD13 LEU 16 3.412 -1.761 18.848 96 HD21 LEU 16 HD21 LEU 16 4.653 -3.473 17.170 97 HD22 LEU 16 HD22 LEU 16 5.894 -2.917 18.292 98 HD23 LEU 16 HD23 LEU 16 6.176 -2.833 16.556 99 H SER 17 H SER 17 3.054 -3.303 13.627 100 HA SER 17 HA SER 17 1.962 -1.665 11.524 101 HB2 SER 17 HB2 SER 17 0.732 -3.923 11.059 102 HB3 SER 17 HB3 SER 17 2.471 -3.797 10.779 103 HG SER 17 HG SER 17 1.162 -5.432 12.445 104 H ALA 18 H ALA 18 0.381 -0.299 12.003 105 HA ALA 18 HA ALA 18 -1.714 -1.016 13.898 106 HB1 ALA 18 HB1 ALA 18 -0.644 1.235 13.944 107 HB2 ALA 18 HB2 ALA 18 -2.399 1.280 13.776 108 HB3 ALA 18 HB3 ALA 18 -1.372 1.562 12.370 109 H HIS 19 H HIS 19 -1.128 -1.303 10.640 110 HA HIS 19 HA HIS 19 -3.946 -1.117 9.872 111 HB2 HIS 19 HB2 HIS 19 -1.436 -1.200 8.197 112 HB3 HIS 19 HB3 HIS 19 -3.060 -1.261 7.521 113 HD2 HIS 19 HD2 HIS 19 -0.457 1.288 8.480 114 HE1 HIS 19 HE1 HIS 19 -4.078 3.426 8.238 115 H THR 20 H THR 20 -2.609 -3.394 11.367 116 HA THR 20 HA THR 20 -2.474 -5.598 9.558 117 HB THR 20 HB THR 20 -2.868 -5.682 12.556 118 HG1 THR 20 HG1 THR 20 -0.928 -4.815 12.541 119 HG21 THR 20 HG21 THR 20 -1.387 -7.730 10.959 120 HG22 THR 20 HG22 THR 20 -3.150 -7.784 11.009 121 HG23 THR 20 HG23 THR 20 -2.220 -7.900 12.504 122 H LEU 21 H LEU 21 -4.109 -6.627 8.620 123 HA LEU 21 HA LEU 21 -6.427 -7.514 10.009 124 HB2 LEU 21 HB2 LEU 21 -6.652 -4.935 9.006 125 HB3 LEU 21 HB3 LEU 21 -7.395 -5.924 7.764 126 HG LEU 21 HG LEU 21 -8.315 -6.642 10.433 127 HD11 LEU 21 HD11 LEU 21 -8.719 -3.820 9.463 128 HD12 LEU 21 HD12 LEU 21 -7.984 -4.340 10.980 129 HD13 LEU 21 HD13 LEU 21 -9.707 -4.594 10.701 130 HD21 LEU 21 HD21 LEU 21 -10.509 -6.354 9.329 131 HD22 LEU 21 HD22 LEU 21 -9.420 -7.409 8.431 132 HD23 LEU 21 HD23 LEU 21 -9.679 -5.748 7.896 133 H LEU 22 H LEU 22 -7.828 -8.855 8.544 134 HA LEU 22 HA LEU 22 -6.228 -10.424 6.820 135 HB2 LEU 22 HB2 LEU 22 -8.100 -11.366 8.041 136 HB3 LEU 22 HB3 LEU 22 -9.224 -10.348 7.162 137 HG LEU 22 HG LEU 22 -8.640 -11.538 5.070 138 HD11 LEU 22 HD11 LEU 22 -6.587 -12.476 5.146 139 HD12 LEU 22 HD12 LEU 22 -7.503 -13.874 5.709 140 HD13 LEU 22 HD13 LEU 22 -6.690 -12.829 6.872 141 HD21 LEU 22 HD21 LEU 22 -9.597 -13.234 7.369 142 HD22 LEU 22 HD22 LEU 22 -9.744 -13.678 5.669 143 HD23 LEU 22 HD23 LEU 22 -10.584 -12.255 6.285 144 H PHE 23 H PHE 23 -8.923 -8.188 6.021 145 HA PHE 23 HA PHE 23 -8.528 -8.534 3.198 146 HB2 PHE 23 HB2 PHE 23 -10.192 -6.569 4.779 147 HB3 PHE 23 HB3 PHE 23 -10.160 -6.616 3.018 148 HD1 PHE 23 HD1 PHE 23 -11.398 -8.188 6.043 149 HD2 PHE 23 HD2 PHE 23 -11.061 -8.562 1.817 150 HE1 PHE 23 HE1 PHE 23 -13.143 -9.922 6.061 151 HE2 PHE 23 HE2 PHE 23 -12.809 -10.294 1.826 152 HZ PHE 23 HZ PHE 23 -13.851 -10.977 3.951 153 H ASP 24 H ASP 24 -7.618 -6.170 5.588 154 HA ASP 24 HA ASP 24 -5.980 -4.804 3.581 155 HB2 ASP 24 HB2 ASP 24 -5.927 -2.914 5.384 156 HB3 ASP 24 HB3 ASP 24 -7.289 -3.045 4.287 157 H LEU 25 H LEU 25 -4.539 -6.636 4.000 158 HA LEU 25 HA LEU 25 -3.287 -7.330 6.306 159 HB2 LEU 25 HB2 LEU 25 -2.116 -7.029 3.552 160 HB3 LEU 25 HB3 LEU 25 -1.263 -7.799 4.877 161 HG LEU 25 HG LEU 25 -3.898 -8.735 3.744 162 HD11 LEU 25 HD11 LEU 25 -1.839 -8.951 2.273 163 HD12 LEU 25 HD12 LEU 25 -2.757 -10.420 2.599 164 HD13 LEU 25 HD13 LEU 25 -1.252 -10.110 3.465 165 HD21 LEU 25 HD21 LEU 25 -4.001 -9.616 5.828 166 HD22 LEU 25 HD22 LEU 25 -2.255 -9.564 6.058 167 HD23 LEU 25 HD23 LEU 25 -2.978 -10.841 5.079 168 HA PRO 26 HA PRO 26 -0.850 -4.308 8.387 169 HB2 PRO 26 HB2 PRO 26 1.694 -5.524 7.765 170 HB3 PRO 26 HB3 PRO 26 0.808 -5.529 9.291 171 HG2 PRO 26 HG2 PRO 26 0.925 -7.577 7.186 172 HG3 PRO 26 HG3 PRO 26 0.483 -7.742 8.893 173 HD2 PRO 26 HD2 PRO 26 -1.337 -7.944 6.927 174 HD3 PRO 26 HD3 PRO 26 -1.735 -7.217 8.495 175 HA PRO 27 HA PRO 27 0.746 -1.032 5.968 176 HB2 PRO 27 HB2 PRO 27 3.226 -1.224 7.613 177 HB3 PRO 27 HB3 PRO 27 2.247 0.192 7.206 178 HG2 PRO 27 HG2 PRO 27 2.050 -0.939 9.590 179 HG3 PRO 27 HG3 PRO 27 0.615 -0.331 8.753 180 HD2 PRO 27 HD2 PRO 27 1.518 -3.137 9.159 181 HD3 PRO 27 HD3 PRO 27 -0.125 -2.484 9.049 182 H ALA 28 H ALA 28 2.457 -3.995 6.029 183 HA ALA 28 HA ALA 28 4.775 -3.456 4.611 184 HB1 ALA 28 HB1 ALA 28 3.026 -5.820 4.962 185 HB2 ALA 28 HB2 ALA 28 4.751 -5.631 5.271 186 HB3 ALA 28 HB3 ALA 28 4.169 -5.864 3.622 187 H LEU 29 H LEU 29 1.445 -3.799 3.457 188 HA LEU 29 HA LEU 29 2.411 -3.199 0.745 189 HB2 LEU 29 HB2 LEU 29 0.633 -5.130 1.598 190 HB3 LEU 29 HB3 LEU 29 -0.404 -3.865 0.957 191 HG LEU 29 HG LEU 29 0.652 -3.972 -1.188 192 HD11 LEU 29 HD11 LEU 29 2.839 -4.453 -1.194 193 HD12 LEU 29 HD12 LEU 29 2.339 -6.144 -1.194 194 HD13 LEU 29 HD13 LEU 29 2.738 -5.343 0.326 195 HD21 LEU 29 HD21 LEU 29 -0.656 -6.207 0.041 196 HD22 LEU 29 HD22 LEU 29 0.478 -6.770 -1.186 197 HD23 LEU 29 HD23 LEU 29 -0.777 -5.610 -1.613 198 H LEU 30 H LEU 30 -0.755 -2.575 2.279 199 HA LEU 30 HA LEU 30 -1.220 -0.207 0.863 200 HB2 LEU 30 HB2 LEU 30 -2.617 -1.774 2.765 201 HB3 LEU 30 HB3 LEU 30 -2.618 -0.128 3.363 202 HG LEU 30 HG LEU 30 -3.712 -1.116 0.733 203 HD11 LEU 30 HD11 LEU 30 -5.816 -0.660 1.582 204 HD12 LEU 30 HD12 LEU 30 -5.186 0.393 2.849 205 HD13 LEU 30 HD13 LEU 30 -4.975 -1.353 2.970 206 HD21 LEU 30 HD21 LEU 30 -2.711 1.495 1.433 207 HD22 LEU 30 HD22 LEU 30 -4.443 1.551 1.105 208 HD23 LEU 30 HD23 LEU 30 -3.335 0.909 -0.108 209 H GLY 31 H GLY 31 -0.223 -0.507 4.294 210 HA2 GLY 31 HA2 GLY 31 -0.206 2.240 4.826 211 HA3 GLY 31 HA3 GLY 31 0.700 1.034 5.720 212 H GLU 32 H GLU 32 2.613 0.199 3.986 213 HA GLU 32 HA GLU 32 4.407 2.405 4.029 214 HB2 GLU 32 HB2 GLU 32 5.020 0.008 4.416 215 HB3 GLU 32 HB3 GLU 32 4.836 -0.257 2.686 216 HG2 GLU 32 HG2 GLU 32 7.139 0.041 3.072 217 HG3 GLU 32 HG3 GLU 32 6.567 1.537 2.337 218 H LEU 33 H LEU 33 2.773 0.692 1.358 219 HA LEU 33 HA LEU 33 4.173 2.114 -0.654 220 HB2 LEU 33 HB2 LEU 33 1.542 0.629 -0.825 221 HB3 LEU 33 HB3 LEU 33 2.408 1.307 -2.203 222 HG LEU 33 HG LEU 33 3.478 -0.838 -0.369 223 HD11 LEU 33 HD11 LEU 33 3.159 -2.347 -2.236 224 HD12 LEU 33 HD12 LEU 33 2.471 -1.041 -3.203 225 HD13 LEU 33 HD13 LEU 33 1.623 -1.619 -1.767 226 HD21 LEU 33 HD21 LEU 33 5.190 -1.046 -2.201 227 HD22 LEU 33 HD22 LEU 33 5.310 0.400 -1.203 228 HD23 LEU 33 HD23 LEU 33 4.604 0.498 -2.814 229 H CYS 34 H CYS 34 1.065 2.756 0.968 230 HA CYS 34 HA CYS 34 0.423 4.915 -0.779 231 HB2 CYS 34 HB2 CYS 34 -1.381 5.444 0.681 232 HB3 CYS 34 HB3 CYS 34 -1.259 3.687 0.631 233 HG CYS 34 HG CYS 34 0.302 3.754 3.120 234 H ALA 35 H ALA 35 2.328 4.652 2.140 235 HA ALA 35 HA ALA 35 2.414 7.521 2.530 236 HB1 ALA 35 HB1 ALA 35 2.976 6.990 4.605 237 HB2 ALA 35 HB2 ALA 35 4.405 6.120 4.046 238 HB3 ALA 35 HB3 ALA 35 2.853 5.289 4.157 239 H VAL 36 H VAL 36 4.870 5.026 1.802 240 HA VAL 36 HA VAL 36 6.964 6.866 1.389 241 HB VAL 36 HB VAL 36 6.666 3.967 0.599 242 HG11 VAL 36 HG11 VAL 36 9.330 4.379 0.492 243 HG12 VAL 36 HG12 VAL 36 8.761 5.924 -0.142 244 HG13 VAL 36 HG13 VAL 36 8.286 4.418 -0.930 245 HG21 VAL 36 HG21 VAL 36 7.964 3.517 2.480 246 HG22 VAL 36 HG22 VAL 36 6.879 4.799 3.018 247 HG23 VAL 36 HG23 VAL 36 8.548 5.177 2.596 248 H LEU 37 H LEU 37 4.823 5.276 -0.997 249 HA LEU 37 HA LEU 37 6.209 6.536 -3.174 250 HB2 LEU 37 HB2 LEU 37 3.585 5.076 -3.165 251 HB3 LEU 37 HB3 LEU 37 4.418 5.628 -4.604 252 HG LEU 37 HG LEU 37 5.413 3.538 -2.665 253 HD11 LEU 37 HD11 LEU 37 3.664 2.614 -3.947 254 HD12 LEU 37 HD12 LEU 37 5.165 2.092 -4.713 255 HD13 LEU 37 HD13 LEU 37 4.227 3.404 -5.421 256 HD21 LEU 37 HD21 LEU 37 7.143 3.207 -4.473 257 HD22 LEU 37 HD22 LEU 37 7.311 4.676 -3.514 258 HD23 LEU 37 HD23 LEU 37 6.626 4.757 -5.136 259 H ASP 38 H ASP 38 3.735 7.527 -1.046 260 HA ASP 38 HA ASP 38 2.241 9.271 -2.648 261 HB2 ASP 38 HB2 ASP 38 1.578 8.740 -0.354 262 HB3 ASP 38 HB3 ASP 38 3.013 9.549 0.268 263 H SER 39 H SER 39 5.307 9.698 -0.988 264 HA SER 39 HA SER 39 5.536 12.440 -1.957 265 HB2 SER 39 HB2 SER 39 7.594 12.505 -0.567 266 HB3 SER 39 HB3 SER 39 6.166 12.046 0.363 267 HG SER 39 HG SER 39 7.957 10.156 -0.762 268 H CYS 40 H CYS 40 5.839 9.709 -3.486 269 HA CYS 40 HA CYS 40 8.530 9.659 -4.399 270 HB2 CYS 40 HB2 CYS 40 6.923 7.741 -4.537 271 HB3 CYS 40 HB3 CYS 40 6.103 8.588 -5.851 272 HG CYS 40 HG CYS 40 8.947 6.830 -5.871 273 H ASP 41 H ASP 41 9.429 10.399 -6.303 274 HA ASP 41 HA ASP 41 7.852 12.272 -7.903 275 HB2 ASP 41 HB2 ASP 41 9.238 13.430 -6.053 276 HB3 ASP 41 HB3 ASP 41 10.637 13.008 -7.035 277 H GLY 42 H GLY 42 8.272 9.890 -8.889 278 HA2 GLY 42 HA2 GLY 42 8.915 9.196 -11.046 279 HA3 GLY 42 HA3 GLY 42 10.198 10.390 -11.024 280 H ALA 43 H ALA 43 10.765 9.125 -8.168 281 HA ALA 43 HA ALA 43 12.940 7.536 -9.002 282 HB1 ALA 43 HB1 ALA 43 12.874 8.684 -6.832 283 HB2 ALA 43 HB2 ALA 43 13.220 6.964 -6.650 284 HB3 ALA 43 HB3 ALA 43 11.606 7.582 -6.293 285 H LEU 44 H LEU 44 9.746 6.688 -7.785 286 HA LEU 44 HA LEU 44 10.117 3.964 -8.836 287 HB2 LEU 44 HB2 LEU 44 8.664 4.810 -6.316 288 HB3 LEU 44 HB3 LEU 44 8.501 3.224 -7.043 289 HG LEU 44 HG LEU 44 11.160 4.335 -6.123 290 HD11 LEU 44 HD11 LEU 44 9.419 2.374 -4.653 291 HD12 LEU 44 HD12 LEU 44 9.511 4.091 -4.261 292 HD13 LEU 44 HD13 LEU 44 10.947 3.077 -4.123 293 HD21 LEU 44 HD21 LEU 44 11.674 1.841 -6.118 294 HD22 LEU 44 HD22 LEU 44 11.535 2.631 -7.689 295 HD23 LEU 44 HD23 LEU 44 10.203 1.653 -7.072 296 H GLY 45 H GLY 45 8.075 6.732 -8.367 297 HA2 GLY 45 HA2 GLY 45 6.398 7.496 -9.778 298 HA3 GLY 45 HA3 GLY 45 6.437 5.953 -10.618 299 H TRP 46 H TRP 46 4.604 7.882 -8.627 300 HA TRP 46 HA TRP 46 3.402 6.095 -6.864 301 HB2 TRP 46 HB2 TRP 46 1.337 7.591 -7.099 302 HB3 TRP 46 HB3 TRP 46 2.846 8.373 -6.586 303 HD1 TRP 46 HD1 TRP 46 0.394 8.197 -9.521 304 HE1 TRP 46 HE1 TRP 46 0.843 10.180 -11.098 305 HE3 TRP 46 HE3 TRP 46 4.665 9.997 -7.365 306 HZ2 TRP 46 HZ2 TRP 46 2.748 12.238 -11.386 307 HZ3 TRP 46 HZ3 TRP 46 5.734 11.980 -8.351 308 HH2 TRP 46 HH2 TRP 46 4.796 13.076 -10.322 309 H ARG 47 H ARG 47 2.621 6.723 -10.268 310 HA ARG 47 HA ARG 47 0.565 4.688 -10.271 311 HB2 ARG 47 HB2 ARG 47 0.853 5.179 -12.889 312 HB3 ARG 47 HB3 ARG 47 -0.129 6.179 -11.834 313 HG2 ARG 47 HG2 ARG 47 1.160 7.612 -13.204 314 HG3 ARG 47 HG3 ARG 47 1.846 7.702 -11.579 315 HD2 ARG 47 HD2 ARG 47 3.820 7.287 -12.541 316 HD3 ARG 47 HD3 ARG 47 3.244 5.639 -12.785 317 HE ARG 47 HE ARG 47 2.393 7.363 -14.883 318 HH11 ARG 47 HH11 ARG 47 3.351 7.148 -16.939 319 HH12 ARG 47 HH12 ARG 47 4.858 6.309 -17.098 320 HH21 ARG 47 HH21 ARG 47 5.139 5.589 -13.682 321 HH22 ARG 47 HH22 ARG 47 5.879 5.420 -15.241 322 H GLY 48 H GLY 48 3.829 4.454 -10.229 323 HA2 GLY 48 HA2 GLY 48 4.490 2.818 -12.409 324 HA3 GLY 48 HA3 GLY 48 5.321 2.825 -10.865 325 H LEU 49 H LEU 49 3.362 1.872 -9.173 326 HA LEU 49 HA LEU 49 3.458 -0.910 -9.774 327 HB2 LEU 49 HB2 LEU 49 1.961 0.553 -7.596 328 HB3 LEU 49 HB3 LEU 49 2.208 -1.181 -7.668 329 HG LEU 49 HG LEU 49 4.376 0.908 -7.329 330 HD11 LEU 49 HD11 LEU 49 3.282 -1.148 -5.415 331 HD12 LEU 49 HD12 LEU 49 2.971 0.588 -5.354 332 HD13 LEU 49 HD13 LEU 49 4.605 -0.027 -5.099 333 HD21 LEU 49 HD21 LEU 49 4.554 -2.104 -7.422 334 HD22 LEU 49 HD22 LEU 49 5.863 -1.017 -6.961 335 HD23 LEU 49 HD23 LEU 49 5.219 -0.973 -8.601 336 H ALA 50 H ALA 50 0.836 1.505 -9.695 337 HA ALA 50 HA ALA 50 -1.274 -0.281 -10.277 338 HB1 ALA 50 HB1 ALA 50 -2.583 1.682 -10.803 339 HB2 ALA 50 HB2 ALA 50 -1.118 2.657 -10.903 340 HB3 ALA 50 HB3 ALA 50 -1.612 1.965 -9.358 341 H GLU 51 H GLU 51 0.773 1.653 -12.402 342 HA GLU 51 HA GLU 51 -0.631 1.246 -14.787 343 HB2 GLU 51 HB2 GLU 51 1.073 2.988 -14.528 344 HB3 GLU 51 HB3 GLU 51 2.320 1.760 -14.361 345 HG2 GLU 51 HG2 GLU 51 2.419 2.670 -16.569 346 HG3 GLU 51 HG3 GLU 51 1.840 1.009 -16.669 347 H ARG 52 H ARG 52 2.044 -0.568 -13.322 348 HA ARG 52 HA ARG 52 2.401 -2.367 -15.460 349 HB2 ARG 52 HB2 ARG 52 3.108 -2.577 -12.540 350 HB3 ARG 52 HB3 ARG 52 3.524 -3.819 -13.713 351 HG2 ARG 52 HG2 ARG 52 4.754 -2.082 -15.011 352 HG3 ARG 52 HG3 ARG 52 4.451 -0.959 -13.688 353 HD2 ARG 52 HD2 ARG 52 5.635 -2.427 -12.151 354 HD3 ARG 52 HD3 ARG 52 5.944 -3.565 -13.465 355 HE ARG 52 HE ARG 52 7.315 -1.087 -12.947 356 HH11 ARG 52 HH11 ARG 52 9.101 -0.581 -14.264 357 HH12 ARG 52 HH12 ARG 52 9.341 -1.439 -15.749 358 HH21 ARG 52 HH21 ARG 52 6.502 -3.452 -15.377 359 HH22 ARG 52 HH22 ARG 52 7.860 -3.076 -16.384 360 H LEU 53 H LEU 53 0.329 -2.562 -12.566 361 HA LEU 53 HA LEU 53 -0.402 -5.273 -13.009 362 HB2 LEU 53 HB2 LEU 53 -0.693 -4.212 -10.829 363 HB3 LEU 53 HB3 LEU 53 -1.897 -3.122 -11.502 364 HG LEU 53 HG LEU 53 -3.364 -5.059 -11.974 365 HD11 LEU 53 HD11 LEU 53 -2.676 -7.179 -10.636 366 HD12 LEU 53 HD12 LEU 53 -1.039 -6.552 -10.835 367 HD13 LEU 53 HD13 LEU 53 -2.023 -6.916 -12.255 368 HD21 LEU 53 HD21 LEU 53 -4.138 -4.290 -10.018 369 HD22 LEU 53 HD22 LEU 53 -2.526 -4.183 -9.309 370 HD23 LEU 53 HD23 LEU 53 -3.379 -5.728 -9.338 371 H SER 54 H SER 54 -1.993 -2.215 -13.846 372 HA SER 54 HA SER 54 -2.912 -2.487 -16.288 373 HB2 SER 54 HB2 SER 54 -4.028 -4.721 -15.050 374 HB3 SER 54 HB3 SER 54 -5.364 -3.569 -15.139 375 HG SER 54 HG SER 54 -4.001 -4.881 -17.166 376 H SER 55 H SER 55 -3.005 -0.251 -16.024 377 HA SER 55 HA SER 55 -4.894 0.901 -14.153 378 HB2 SER 55 HB2 SER 55 -4.059 3.049 -14.916 379 HB3 SER 55 HB3 SER 55 -2.693 1.972 -14.628 380 HG SER 55 HG SER 55 -2.231 2.741 -16.584 381 H SER 56 H SER 56 -4.990 -0.294 -17.282 382 HA SER 56 HA SER 56 -6.522 -0.350 -18.947 383 HB2 SER 56 HB2 SER 56 -8.359 0.815 -16.845 384 HB3 SER 56 HB3 SER 56 -8.878 0.108 -18.375 385 HG SER 56 HG SER 56 -7.652 -1.172 -16.169 386 H TRP 57 H TRP 57 -4.995 2.228 -18.224 387 HA TRP 57 HA TRP 57 -4.738 4.346 -18.988 388 HB2 TRP 57 HB2 TRP 57 -6.360 3.312 -21.320 389 HB3 TRP 57 HB3 TRP 57 -5.356 4.758 -21.328 390 HD1 TRP 57 HD1 TRP 57 -2.663 4.369 -21.223 391 HE1 TRP 57 HE1 TRP 57 -1.227 2.379 -21.992 392 HE3 TRP 57 HE3 TRP 57 -6.320 0.811 -21.572 393 HZ2 TRP 57 HZ2 TRP 57 -1.594 -0.339 -22.665 394 HZ3 TRP 57 HZ3 TRP 57 -5.694 -1.459 -22.291 395 HH2 TRP 57 HH2 TRP 57 -3.379 -2.019 -22.825 396 H LEU 58 H LEU 58 -7.180 3.742 -17.380 397 HA LEU 58 HA LEU 58 -8.698 6.157 -18.119 398 HB2 LEU 58 HB2 LEU 58 -9.993 4.133 -18.657 399 HB3 LEU 58 HB3 LEU 58 -9.827 3.586 -17.000 400 HG LEU 58 HG LEU 58 -11.132 5.550 -16.242 401 HD11 LEU 58 HD11 LEU 58 -10.918 7.249 -17.759 402 HD12 LEU 58 HD12 LEU 58 -12.490 6.602 -18.229 403 HD13 LEU 58 HD13 LEU 58 -11.049 6.173 -19.151 404 HD21 LEU 58 HD21 LEU 58 -12.406 3.748 -18.291 405 HD22 LEU 58 HD22 LEU 58 -13.311 4.794 -17.197 406 HD23 LEU 58 HD23 LEU 58 -12.309 3.496 -16.549 407 H ASP 59 H ASP 59 -7.758 3.923 -15.558 408 HA ASP 59 HA ASP 59 -8.666 5.475 -13.381 409 HB2 ASP 59 HB2 ASP 59 -6.614 3.275 -13.585 410 HB3 ASP 59 HB3 ASP 59 -7.010 4.056 -12.058 411 H VAL 60 H VAL 60 -5.922 5.786 -15.412 412 HA VAL 60 HA VAL 60 -4.055 6.955 -13.703 413 HB VAL 60 HB VAL 60 -3.137 8.067 -15.742 414 HG11 VAL 60 HG11 VAL 60 -3.714 5.125 -15.678 415 HG12 VAL 60 HG12 VAL 60 -2.224 5.972 -15.258 416 HG13 VAL 60 HG13 VAL 60 -2.718 5.840 -16.947 417 HG21 VAL 60 HG21 VAL 60 -5.270 8.400 -16.927 418 HG22 VAL 60 HG22 VAL 60 -5.403 6.654 -17.151 419 HG23 VAL 60 HG23 VAL 60 -4.086 7.543 -17.916 420 H ASP 61 H ASP 61 -6.886 8.366 -15.223 421 HA ASP 61 HA ASP 61 -6.215 11.084 -14.855 422 HB2 ASP 61 HB2 ASP 61 -8.865 9.664 -15.075 423 HB3 ASP 61 HB3 ASP 61 -8.751 11.411 -14.895 424 H HIS 62 H HIS 62 -7.842 8.736 -12.797 425 HA HIS 62 HA HIS 62 -8.355 10.582 -10.681 426 HB2 HIS 62 HB2 HIS 62 -9.526 8.293 -11.300 427 HB3 HIS 62 HB3 HIS 62 -8.305 7.633 -10.216 428 HD2 HIS 62 HD2 HIS 62 -9.134 7.554 -7.675 429 HE1 HIS 62 HE1 HIS 62 -12.035 10.606 -7.827 430 H ILE 63 H ILE 63 -5.704 8.558 -11.611 431 HA ILE 63 HA ILE 63 -4.408 8.229 -9.149 432 HB ILE 63 HB ILE 63 -3.290 8.403 -11.947 433 HG12 ILE 63 HG12 ILE 63 -3.512 6.062 -10.046 434 HG13 ILE 63 HG13 ILE 63 -4.709 6.440 -11.287 435 HG21 ILE 63 HG21 ILE 63 -1.487 7.152 -10.101 436 HG22 ILE 63 HG22 ILE 63 -1.830 8.805 -9.591 437 HG23 ILE 63 HG23 ILE 63 -1.200 8.494 -11.208 438 HD11 ILE 63 HD11 ILE 63 -2.236 5.003 -11.506 439 HD12 ILE 63 HD12 ILE 63 -2.260 6.371 -12.619 440 HD13 ILE 63 HD13 ILE 63 -3.549 5.167 -12.672 441 H GLU 64 H GLU 64 -4.221 10.847 -11.522 442 HA GLU 64 HA GLU 64 -2.301 12.388 -10.120 443 HB2 GLU 64 HB2 GLU 64 -4.357 13.127 -12.204 444 HB3 GLU 64 HB3 GLU 64 -3.190 14.272 -11.559 445 HG2 GLU 64 HG2 GLU 64 -1.360 12.989 -12.430 446 HG3 GLU 64 HG3 GLU 64 -2.450 11.697 -12.930 447 H LYS 65 H LYS 65 -5.799 12.207 -10.012 448 HA LYS 65 HA LYS 65 -6.340 14.567 -8.602 449 HB2 LYS 65 HB2 LYS 65 -7.837 11.967 -8.841 450 HB3 LYS 65 HB3 LYS 65 -8.490 13.374 -8.014 451 HG2 LYS 65 HG2 LYS 65 -8.354 14.669 -10.070 452 HG3 LYS 65 HG3 LYS 65 -7.647 13.285 -10.907 453 HD2 LYS 65 HD2 LYS 65 -9.686 12.000 -10.512 454 HD3 LYS 65 HD3 LYS 65 -10.389 13.361 -9.650 455 HE2 LYS 65 HE2 LYS 65 -10.263 14.715 -11.688 456 HE3 LYS 65 HE3 LYS 65 -9.552 13.349 -12.546 457 HZ1 LYS 65 HZ1 LYS 65 -11.715 13.068 -13.114 458 HZ2 LYS 65 HZ2 LYS 65 -12.314 13.779 -11.701 459 HZ3 LYS 65 HZ3 LYS 65 -11.735 12.190 -11.668 460 H GLU 66 H GLU 66 -5.936 11.228 -7.246 461 HA GLU 66 HA GLU 66 -6.188 12.407 -4.592 462 HB2 GLU 66 HB2 GLU 66 -5.628 9.481 -4.944 463 HB3 GLU 66 HB3 GLU 66 -6.485 10.316 -3.665 464 HG2 GLU 66 HG2 GLU 66 -8.275 10.859 -5.361 465 HG3 GLU 66 HG3 GLU 66 -7.472 9.709 -6.431 466 H VAL 67 H VAL 67 -3.601 12.001 -6.640 467 HA VAL 67 HA VAL 67 -1.630 10.910 -4.996 468 HB VAL 67 HB VAL 67 -1.399 11.529 -7.454 469 HG11 VAL 67 HG11 VAL 67 -1.989 13.812 -7.521 470 HG12 VAL 67 HG12 VAL 67 -0.254 13.746 -7.835 471 HG13 VAL 67 HG13 VAL 67 -0.842 14.223 -6.240 472 HG21 VAL 67 HG21 VAL 67 0.517 10.614 -6.620 473 HG22 VAL 67 HG22 VAL 67 0.687 11.836 -5.358 474 HG23 VAL 67 HG23 VAL 67 1.107 12.225 -7.027 475 H ASP 68 H ASP 68 -2.987 14.148 -5.008 476 HA ASP 68 HA ASP 68 -1.092 15.075 -3.000 477 HB2 ASP 68 HB2 ASP 68 -3.399 16.424 -4.412 478 HB3 ASP 68 HB3 ASP 68 -2.504 17.190 -3.102 479 H GLN 69 H GLN 69 -3.800 13.228 -2.974 480 HA GLN 69 HA GLN 69 -4.789 14.267 -0.407 481 HB2 GLN 69 HB2 GLN 69 -6.132 12.401 -2.369 482 HB3 GLN 69 HB3 GLN 69 -6.828 12.957 -0.855 483 HG2 GLN 69 HG2 GLN 69 -6.089 14.701 -3.195 484 HG3 GLN 69 HG3 GLN 69 -7.718 14.184 -2.764 485 HE21 GLN 69 HE21 GLN 69 -5.740 16.730 -2.669 486 HE22 GLN 69 HE22 GLN 69 -6.326 17.536 -1.259 487 H GLY 70 H GLY 70 -2.407 12.439 -0.921 488 HA2 GLY 70 HA2 GLY 70 -1.605 10.965 0.805 489 HA3 GLY 70 HA3 GLY 70 -3.246 10.387 1.021 490 H LYS 71 H LYS 71 -2.151 10.731 -2.209 491 HA LYS 71 HA LYS 71 -1.037 9.311 -3.668 492 HB2 LYS 71 HB2 LYS 71 0.124 7.927 -2.163 493 HB3 LYS 71 HB3 LYS 71 -1.364 7.297 -1.465 494 HG2 LYS 71 HG2 LYS 71 -0.578 5.526 -2.720 495 HG3 LYS 71 HG3 LYS 71 -1.775 6.267 -3.784 496 HD2 LYS 71 HD2 LYS 71 -0.076 6.103 -5.306 497 HD3 LYS 71 HD3 LYS 71 0.426 7.620 -4.551 498 HE2 LYS 71 HE2 LYS 71 2.217 5.927 -4.813 499 HE3 LYS 71 HE3 LYS 71 1.974 6.494 -3.168 500 HZ1 LYS 71 HZ1 LYS 71 1.883 4.351 -2.633 501 HZ2 LYS 71 HZ2 LYS 71 1.703 3.855 -4.246 502 HZ3 LYS 71 HZ3 LYS 71 0.349 4.327 -3.351 503 H SER 72 H SER 72 -1.792 8.113 -5.343 504 HA SER 72 HA SER 72 -4.523 7.064 -5.207 505 HB2 SER 72 HB2 SER 72 -4.316 9.464 -6.160 506 HB3 SER 72 HB3 SER 72 -3.631 8.672 -7.569 507 HG SER 72 HG SER 72 -5.859 8.862 -7.841 508 H GLY 73 H GLY 73 -1.363 7.142 -6.748 509 HA2 GLY 73 HA2 GLY 73 -1.745 5.397 -8.857 510 HA3 GLY 73 HA3 GLY 73 -0.249 5.520 -7.935 511 H THR 74 H THR 74 -0.373 4.325 -5.739 512 HA THR 74 HA THR 74 -1.255 1.640 -6.348 513 HB THR 74 HB THR 74 0.159 2.496 -3.826 514 HG1 THR 74 HG1 THR 74 1.070 2.672 -6.338 515 HG21 THR 74 HG21 THR 74 0.664 -0.080 -5.204 516 HG22 THR 74 HG22 THR 74 -0.899 0.109 -4.412 517 HG23 THR 74 HG23 THR 74 0.588 0.286 -3.482 518 H ARG 75 H ARG 75 -2.052 4.261 -4.146 519 HA ARG 75 HA ARG 75 -3.579 2.817 -2.285 520 HB2 ARG 75 HB2 ARG 75 -2.800 5.183 -1.986 521 HB3 ARG 75 HB3 ARG 75 -4.034 5.678 -3.133 522 HG2 ARG 75 HG2 ARG 75 -5.770 4.827 -1.674 523 HG3 ARG 75 HG3 ARG 75 -4.558 4.283 -0.518 524 HD2 ARG 75 HD2 ARG 75 -3.829 6.602 -0.212 525 HD3 ARG 75 HD3 ARG 75 -5.057 7.136 -1.358 526 HE ARG 75 HE ARG 75 -6.295 5.659 0.683 527 HH11 ARG 75 HH11 ARG 75 -7.431 6.726 2.352 528 HH12 ARG 75 HH12 ARG 75 -7.099 8.394 2.678 529 HH21 ARG 75 HH21 ARG 75 -4.669 8.688 0.172 530 HH22 ARG 75 HH22 ARG 75 -5.527 9.519 1.431 531 H GLU 76 H GLU 76 -4.612 4.559 -5.226 532 HA GLU 76 HA GLU 76 -7.359 3.987 -4.945 533 HB2 GLU 76 HB2 GLU 76 -6.539 5.740 -6.438 534 HB3 GLU 76 HB3 GLU 76 -5.751 4.538 -7.457 535 HG2 GLU 76 HG2 GLU 76 -8.023 3.567 -7.889 536 HG3 GLU 76 HG3 GLU 76 -8.698 4.945 -7.022 537 H LEU 77 H LEU 77 -4.739 2.285 -6.582 538 HA LEU 77 HA LEU 77 -6.263 0.317 -7.873 539 HB2 LEU 77 HB2 LEU 77 -3.904 0.760 -8.367 540 HB3 LEU 77 HB3 LEU 77 -3.451 0.180 -6.777 541 HG LEU 77 HG LEU 77 -4.281 -2.079 -7.405 542 HD11 LEU 77 HD11 LEU 77 -4.279 -2.022 -10.165 543 HD12 LEU 77 HD12 LEU 77 -5.228 -0.605 -9.717 544 HD13 LEU 77 HD13 LEU 77 -5.690 -2.199 -9.123 545 HD21 LEU 77 HD21 LEU 77 -2.429 -1.911 -9.519 546 HD22 LEU 77 HD22 LEU 77 -2.138 -2.407 -7.852 547 HD23 LEU 77 HD23 LEU 77 -1.945 -0.717 -8.316 548 H LEU 78 H LEU 78 -4.685 0.295 -4.684 549 HA LEU 78 HA LEU 78 -5.594 -2.311 -3.989 550 HB2 LEU 78 HB2 LEU 78 -4.557 -0.046 -2.262 551 HB3 LEU 78 HB3 LEU 78 -4.850 -1.680 -1.691 552 HG LEU 78 HG LEU 78 -2.858 -0.913 -3.830 553 HD11 LEU 78 HD11 LEU 78 -1.185 -1.566 -2.119 554 HD12 LEU 78 HD12 LEU 78 -2.489 -1.659 -0.936 555 HD13 LEU 78 HD13 LEU 78 -2.102 -0.119 -1.703 556 HD21 LEU 78 HD21 LEU 78 -2.212 -3.414 -2.907 557 HD22 LEU 78 HD22 LEU 78 -3.062 -3.062 -4.412 558 HD23 LEU 78 HD23 LEU 78 -3.975 -3.466 -2.960 559 H TRP 79 H TRP 79 -6.813 0.935 -3.419 560 HA TRP 79 HA TRP 79 -8.929 0.146 -1.651 561 HB2 TRP 79 HB2 TRP 79 -7.710 2.442 -1.901 562 HB3 TRP 79 HB3 TRP 79 -8.905 2.739 -3.157 563 HD1 TRP 79 HD1 TRP 79 -11.251 3.527 -2.395 564 HE1 TRP 79 HE1 TRP 79 -12.366 3.941 -0.111 565 HE3 TRP 79 HE3 TRP 79 -7.689 1.459 0.634 566 HZ2 TRP 79 HZ2 TRP 79 -11.806 3.460 2.614 567 HZ3 TRP 79 HZ3 TRP 79 -8.053 1.479 3.067 568 HH2 TRP 79 HH2 TRP 79 -10.070 2.461 4.035 569 H SER 80 H SER 80 -8.617 -0.223 -4.966 570 HA SER 80 HA SER 80 -11.087 0.597 -5.982 571 HB2 SER 80 HB2 SER 80 -9.264 -1.646 -6.857 572 HB3 SER 80 HB3 SER 80 -10.685 -1.137 -7.768 573 HG SER 80 HG SER 80 -8.725 0.743 -6.998 574 H TRP 81 H TRP 81 -10.237 -2.498 -4.429 575 HA TRP 81 HA TRP 81 -12.932 -3.486 -4.889 576 HB2 TRP 81 HB2 TRP 81 -10.474 -4.661 -3.607 577 HB3 TRP 81 HB3 TRP 81 -12.044 -5.449 -3.471 578 HD1 TRP 81 HD1 TRP 81 -9.121 -5.068 -5.775 579 HE1 TRP 81 HE1 TRP 81 -9.561 -6.351 -7.963 580 HE3 TRP 81 HE3 TRP 81 -14.097 -6.066 -5.146 581 HZ2 TRP 81 HZ2 TRP 81 -11.731 -7.618 -9.252 582 HZ3 TRP 81 HZ3 TRP 81 -15.281 -7.319 -6.902 583 HH2 TRP 81 HH2 TRP 81 -14.120 -8.076 -8.915 584 H ALA 82 H ALA 82 -11.271 -3.987 -1.838 585 HA ALA 82 HA ALA 82 -13.510 -2.652 -0.466 586 HB1 ALA 82 HB1 ALA 82 -13.673 -4.632 0.578 587 HB2 ALA 82 HB2 ALA 82 -12.225 -4.144 1.460 588 HB3 ALA 82 HB3 ALA 82 -12.082 -5.154 0.021 589 H GLN 83 H GLN 83 -10.432 -3.558 0.936 590 HA GLN 83 HA GLN 83 -9.801 -0.708 1.334 591 HB2 GLN 83 HB2 GLN 83 -8.903 -3.087 2.986 592 HB3 GLN 83 HB3 GLN 83 -8.476 -1.407 3.291 593 HG2 GLN 83 HG2 GLN 83 -10.185 -1.503 4.736 594 HG3 GLN 83 HG3 GLN 83 -11.167 -1.233 3.297 595 HE21 GLN 83 HE21 GLN 83 -12.025 -2.511 5.681 596 HE22 GLN 83 HE22 GLN 83 -12.434 -4.141 5.285 597 H LYS 84 H LYS 84 -8.256 -3.892 1.026 598 HA LYS 84 HA LYS 84 -6.381 -2.721 -0.901 599 HB2 LYS 84 HB2 LYS 84 -4.942 -2.909 0.928 600 HB3 LYS 84 HB3 LYS 84 -5.749 -4.340 1.547 601 HG2 LYS 84 HG2 LYS 84 -4.502 -5.753 0.273 602 HG3 LYS 84 HG3 LYS 84 -4.364 -4.602 -1.053 603 HD2 LYS 84 HD2 LYS 84 -2.199 -4.720 -0.209 604 HD3 LYS 84 HD3 LYS 84 -2.848 -3.258 0.524 605 HE2 LYS 84 HE2 LYS 84 -2.842 -5.944 1.913 606 HE3 LYS 84 HE3 LYS 84 -1.544 -4.771 2.062 607 HZ1 LYS 84 HZ1 LYS 84 -4.243 -4.671 3.133 608 HZ2 LYS 84 HZ2 LYS 84 -3.557 -3.207 2.651 609 HZ3 LYS 84 HZ3 LYS 84 -2.787 -4.158 3.829 610 H ASN 85 H ASN 85 -7.837 -5.636 0.462 611 HA ASN 85 HA ASN 85 -8.382 -7.674 -0.381 612 HB2 ASN 85 HB2 ASN 85 -9.947 -5.997 -1.575 613 HB3 ASN 85 HB3 ASN 85 -8.956 -6.317 -2.998 614 HD21 ASN 85 HD21 ASN 85 -10.355 -7.453 -4.226 615 HD22 ASN 85 HD22 ASN 85 -11.069 -8.954 -3.758 616 H LYS 86 H LYS 86 -5.649 -7.070 -0.575 617 HA LYS 86 HA LYS 86 -4.898 -8.776 -2.828 618 HB2 LYS 86 HB2 LYS 86 -4.276 -5.974 -2.555 619 HB3 LYS 86 HB3 LYS 86 -2.797 -6.918 -2.479 620 HG2 LYS 86 HG2 LYS 86 -3.043 -6.387 -4.724 621 HG3 LYS 86 HG3 LYS 86 -3.618 -8.051 -4.614 622 HD2 LYS 86 HD2 LYS 86 -5.941 -6.843 -4.239 623 HD3 LYS 86 HD3 LYS 86 -5.133 -5.534 -5.104 624 HE2 LYS 86 HE2 LYS 86 -5.538 -8.363 -6.064 625 HE3 LYS 86 HE3 LYS 86 -6.335 -6.915 -6.675 626 HZ1 LYS 86 HZ1 LYS 86 -4.095 -6.098 -7.326 627 HZ2 LYS 86 HZ2 LYS 86 -4.587 -7.484 -8.162 628 HZ3 LYS 86 HZ3 LYS 86 -3.457 -7.611 -6.909 629 H THR 87 H THR 87 -2.525 -9.462 -2.537 630 HA THR 87 HA THR 87 -2.029 -9.835 0.337 631 HB THR 87 HB THR 87 -0.987 -11.982 -0.159 632 HG1 THR 87 HG1 THR 87 -0.779 -12.735 -2.203 633 HG21 THR 87 HG21 THR 87 -3.732 -11.410 -0.341 634 HG22 THR 87 HG22 THR 87 -2.981 -12.952 0.075 635 HG23 THR 87 HG23 THR 87 -3.397 -12.596 -1.602 636 H ILE 88 H ILE 88 0.173 -9.993 0.974 637 HA ILE 88 HA ILE 88 1.813 -7.976 -0.049 638 HB ILE 88 HB ILE 88 2.015 -10.069 2.017 639 HG12 ILE 88 HG12 ILE 88 2.775 -8.131 3.352 640 HG13 ILE 88 HG13 ILE 88 2.803 -7.147 1.896 641 HG21 ILE 88 HG21 ILE 88 4.091 -10.618 1.058 642 HG22 ILE 88 HG22 ILE 88 4.455 -9.530 2.396 643 HG23 ILE 88 HG23 ILE 88 4.480 -8.927 0.739 644 HD11 ILE 88 HD11 ILE 88 0.382 -8.413 3.154 645 HD12 ILE 88 HD12 ILE 88 0.386 -7.450 1.678 646 HD13 ILE 88 HD13 ILE 88 0.828 -6.708 3.215 647 H GLY 89 H GLY 89 1.833 -11.470 -0.607 648 HA2 GLY 89 HA2 GLY 89 4.224 -11.605 -2.096 649 HA3 GLY 89 HA3 GLY 89 2.905 -12.764 -2.174 650 H ASP 90 H ASP 90 0.892 -10.965 -3.096 651 HA ASP 90 HA ASP 90 1.278 -11.156 -5.875 652 HB2 ASP 90 HB2 ASP 90 -0.941 -11.150 -4.793 653 HB3 ASP 90 HB3 ASP 90 -0.725 -9.450 -4.386 654 H LEU 91 H LEU 91 1.407 -8.309 -3.732 655 HA LEU 91 HA LEU 91 2.049 -6.530 -5.897 656 HB2 LEU 91 HB2 LEU 91 1.300 -6.255 -3.177 657 HB3 LEU 91 HB3 LEU 91 2.837 -5.438 -3.375 658 HG LEU 91 HG LEU 91 1.192 -3.776 -3.700 659 HD11 LEU 91 HD11 LEU 91 1.499 -4.308 -6.572 660 HD12 LEU 91 HD12 LEU 91 2.999 -4.329 -5.644 661 HD13 LEU 91 HD13 LEU 91 1.964 -2.902 -5.614 662 HD21 LEU 91 HD21 LEU 91 -0.202 -5.805 -5.438 663 HD22 LEU 91 HD22 LEU 91 -0.630 -4.095 -5.418 664 HD23 LEU 91 HD23 LEU 91 -0.785 -5.058 -3.951 665 H LEU 92 H LEU 92 3.857 -8.556 -3.772 666 HA LEU 92 HA LEU 92 6.334 -7.261 -3.742 667 HB2 LEU 92 HB2 LEU 92 5.785 -9.175 -2.317 668 HB3 LEU 92 HB3 LEU 92 5.747 -10.223 -3.721 669 HG LEU 92 HG LEU 92 8.160 -9.804 -4.076 670 HD11 LEU 92 HD11 LEU 92 7.751 -8.027 -1.718 671 HD12 LEU 92 HD12 LEU 92 8.706 -7.764 -3.177 672 HD13 LEU 92 HD13 LEU 92 9.297 -8.851 -1.921 673 HD21 LEU 92 HD21 LEU 92 8.941 -11.191 -2.270 674 HD22 LEU 92 HD22 LEU 92 7.339 -11.735 -2.764 675 HD23 LEU 92 HD23 LEU 92 7.530 -10.779 -1.296 676 H GLN 93 H GLN 93 4.924 -9.454 -6.128 677 HA GLN 93 HA GLN 93 7.198 -9.831 -7.739 678 HB2 GLN 93 HB2 GLN 93 4.253 -9.810 -8.421 679 HB3 GLN 93 HB3 GLN 93 5.505 -10.290 -9.556 680 HG2 GLN 93 HG2 GLN 93 6.129 -12.148 -8.178 681 HG3 GLN 93 HG3 GLN 93 5.032 -11.620 -6.902 682 HE21 GLN 93 HE21 GLN 93 2.885 -12.062 -7.054 683 HE22 GLN 93 HE22 GLN 93 2.199 -13.055 -8.291 684 H VAL 94 H VAL 94 4.666 -7.367 -7.793 685 HA VAL 94 HA VAL 94 5.668 -5.981 -10.076 686 HB VAL 94 HB VAL 94 3.794 -5.031 -7.897 687 HG11 VAL 94 HG11 VAL 94 3.279 -3.166 -9.159 688 HG12 VAL 94 HG12 VAL 94 3.907 -3.871 -10.649 689 HG13 VAL 94 HG13 VAL 94 5.020 -3.306 -9.402 690 HG21 VAL 94 HG21 VAL 94 3.432 -6.688 -10.303 691 HG22 VAL 94 HG22 VAL 94 2.246 -5.402 -10.079 692 HG23 VAL 94 HG23 VAL 94 2.481 -6.614 -8.819 693 H LEU 95 H LEU 95 6.013 -5.625 -6.582 694 HA LEU 95 HA LEU 95 7.365 -3.170 -6.516 695 HB2 LEU 95 HB2 LEU 95 7.427 -5.525 -4.639 696 HB3 LEU 95 HB3 LEU 95 8.236 -4.009 -4.296 697 HG LEU 95 HG LEU 95 5.266 -4.252 -4.772 698 HD11 LEU 95 HD11 LEU 95 5.467 -3.665 -2.165 699 HD12 LEU 95 HD12 LEU 95 6.909 -4.664 -2.352 700 HD13 LEU 95 HD13 LEU 95 5.326 -5.313 -2.779 701 HD21 LEU 95 HD21 LEU 95 6.507 -2.044 -5.150 702 HD22 LEU 95 HD22 LEU 95 6.737 -2.026 -3.404 703 HD23 LEU 95 HD23 LEU 95 5.108 -2.028 -4.079 704 H GLN 96 H GLN 96 8.639 -6.483 -6.794 705 HA GLN 96 HA GLN 96 11.357 -5.683 -6.602 706 HB2 GLN 96 HB2 GLN 96 11.937 -7.912 -7.294 707 HB3 GLN 96 HB3 GLN 96 10.580 -8.008 -6.185 708 HG2 GLN 96 HG2 GLN 96 9.059 -8.300 -8.083 709 HG3 GLN 96 HG3 GLN 96 10.433 -8.221 -9.184 710 HE21 GLN 96 HE21 GLN 96 9.442 -10.342 -9.781 711 HE22 GLN 96 HE22 GLN 96 10.003 -11.743 -8.939 712 H GLU 97 H GLU 97 9.083 -5.791 -9.249 713 HA GLU 97 HA GLU 97 10.942 -5.717 -11.377 714 HB2 GLU 97 HB2 GLU 97 8.534 -6.204 -11.698 715 HB3 GLU 97 HB3 GLU 97 8.143 -4.541 -11.266 716 HG2 GLU 97 HG2 GLU 97 8.056 -4.769 -13.643 717 HG3 GLU 97 HG3 GLU 97 9.443 -3.769 -13.216 718 H MET 98 H MET 98 9.228 -3.131 -9.636 719 HA MET 98 HA MET 98 10.618 -1.026 -10.968 720 HB2 MET 98 HB2 MET 98 8.939 -1.065 -8.464 721 HB3 MET 98 HB3 MET 98 9.702 0.398 -9.072 722 HG2 MET 98 HG2 MET 98 7.616 -1.272 -10.457 723 HG3 MET 98 HG3 MET 98 7.429 0.352 -9.800 724 HE1 MET 98 HE1 MET 98 8.709 2.445 -10.711 725 HE2 MET 98 HE2 MET 98 9.612 2.496 -12.226 726 HE3 MET 98 HE3 MET 98 10.296 1.682 -10.819 727 H GLY 99 H GLY 99 11.127 -2.787 -7.966 728 HA2 GLY 99 HA2 GLY 99 13.302 -3.067 -7.030 729 HA3 GLY 99 HA3 GLY 99 13.795 -1.568 -7.807 730 H HIS 100 H HIS 100 10.918 -2.163 -5.845 731 HA HIS 100 HA HIS 100 11.376 0.199 -4.293 732 HB2 HIS 100 HB2 HIS 100 9.138 -1.024 -4.954 733 HB3 HIS 100 HB3 HIS 100 9.422 -1.905 -3.457 734 HD2 HIS 100 HD2 HIS 100 7.137 0.622 -4.204 735 HE1 HIS 100 HE1 HIS 100 8.925 2.237 -0.750 736 H ARG 101 H ARG 101 13.359 -0.123 -3.267 737 HA ARG 101 HA ARG 101 14.061 -2.310 -1.665 738 HB2 ARG 101 HB2 ARG 101 14.962 0.540 -1.800 739 HB3 ARG 101 HB3 ARG 101 15.618 -0.547 -0.581 740 HG2 ARG 101 HG2 ARG 101 15.727 -1.018 -3.559 741 HG3 ARG 101 HG3 ARG 101 17.052 -0.384 -2.572 742 HD2 ARG 101 HD2 ARG 101 16.802 -2.490 -1.168 743 HD3 ARG 101 HD3 ARG 101 15.779 -3.108 -2.459 744 HE ARG 101 HE ARG 101 17.646 -3.439 -3.752 745 HH11 ARG 101 HH11 ARG 101 19.888 -3.764 -3.992 746 HH12 ARG 101 HH12 ARG 101 20.989 -2.961 -2.921 747 HH21 ARG 101 HH21 ARG 101 18.477 -1.424 -1.030 748 HH22 ARG 101 HH22 ARG 101 20.186 -1.633 -1.229 749 H ARG 102 H ARG 102 12.495 0.753 -0.761 750 HA ARG 102 HA ARG 102 12.574 0.319 2.023 751 HB2 ARG 102 HB2 ARG 102 12.093 2.508 0.872 752 HB3 ARG 102 HB3 ARG 102 10.472 1.907 0.553 753 HG2 ARG 102 HG2 ARG 102 10.173 3.149 2.471 754 HG3 ARG 102 HG3 ARG 102 10.370 1.513 3.107 755 HD2 ARG 102 HD2 ARG 102 12.754 3.293 2.800 756 HD3 ARG 102 HD3 ARG 102 11.675 3.504 4.178 757 HE ARG 102 HE ARG 102 12.310 0.807 4.053 758 HH11 ARG 102 HH11 ARG 102 13.958 -0.112 5.343 759 HH12 ARG 102 HH12 ARG 102 15.212 0.902 5.974 760 HH21 ARG 102 HH21 ARG 102 13.964 3.839 4.534 761 HH22 ARG 102 HH22 ARG 102 15.216 3.149 5.515 762 H ALA 103 H ALA 103 10.196 -0.537 -0.434 763 HA ALA 103 HA ALA 103 8.170 -1.459 1.297 764 HB1 ALA 103 HB1 ALA 103 8.137 -1.062 -1.282 765 HB2 ALA 103 HB2 ALA 103 7.108 -2.304 -0.566 766 HB3 ALA 103 HB3 ALA 103 8.618 -2.758 -1.355 767 H ILE 104 H ILE 104 11.007 -3.042 -0.084 768 HA ILE 104 HA ILE 104 10.426 -5.677 0.695 769 HB ILE 104 HB ILE 104 13.073 -4.288 0.259 770 HG12 ILE 104 HG12 ILE 104 11.653 -6.346 -1.439 771 HG13 ILE 104 HG13 ILE 104 11.482 -4.609 -1.677 772 HG21 ILE 104 HG21 ILE 104 12.568 -6.848 1.471 773 HG22 ILE 104 HG22 ILE 104 14.101 -6.015 1.210 774 HG23 ILE 104 HG23 ILE 104 13.432 -7.046 -0.055 775 HD11 ILE 104 HD11 ILE 104 14.258 -5.447 -1.582 776 HD12 ILE 104 HD12 ILE 104 13.402 -4.480 -2.784 777 HD13 ILE 104 HD13 ILE 104 13.345 -6.240 -2.866 778 H HIS 105 H HIS 105 12.170 -3.079 2.390 779 HA HIS 105 HA HIS 105 12.861 -4.607 4.662 780 HB2 HIS 105 HB2 HIS 105 12.578 -1.642 4.210 781 HB3 HIS 105 HB3 HIS 105 13.042 -2.306 5.773 782 HD2 HIS 105 HD2 HIS 105 14.595 -1.371 2.422 783 HE1 HIS 105 HE1 HIS 105 17.564 -3.467 4.555 784 H LEU 106 H LEU 106 10.033 -2.583 3.950 785 HA LEU 106 HA LEU 106 8.912 -3.009 6.573 786 HB2 LEU 106 HB2 LEU 106 8.601 -1.064 4.704 787 HB3 LEU 106 HB3 LEU 106 7.133 -1.985 4.450 788 HG LEU 106 HG LEU 106 6.966 -0.032 6.047 789 HD11 LEU 106 HD11 LEU 106 5.763 -1.463 7.829 790 HD12 LEU 106 HD12 LEU 106 6.149 -2.813 6.759 791 HD13 LEU 106 HD13 LEU 106 5.169 -1.470 6.168 792 HD21 LEU 106 HD21 LEU 106 8.194 -1.776 8.127 793 HD22 LEU 106 HD22 LEU 106 7.971 -0.026 8.108 794 HD23 LEU 106 HD23 LEU 106 9.234 -0.764 7.122 795 H ILE 107 H ILE 107 8.742 -4.641 3.534 796 HA ILE 107 HA ILE 107 6.230 -5.876 3.802 797 HB ILE 107 HB ILE 107 7.945 -5.814 1.785 798 HG12 ILE 107 HG12 ILE 107 6.718 -7.986 0.957 799 HG13 ILE 107 HG13 ILE 107 5.806 -7.782 2.450 800 HG21 ILE 107 HG21 ILE 107 8.512 -8.490 3.050 801 HG22 ILE 107 HG22 ILE 107 9.667 -7.191 2.747 802 HG23 ILE 107 HG23 ILE 107 8.932 -8.051 1.393 803 HD11 ILE 107 HD11 ILE 107 4.607 -6.732 0.680 804 HD12 ILE 107 HD12 ILE 107 6.038 -5.831 0.175 805 HD13 ILE 107 HD13 ILE 107 5.265 -5.466 1.718 806 H THR 108 H THR 108 9.192 -6.421 5.439 807 HA THR 108 HA THR 108 8.765 -9.144 6.174 808 HB THR 108 HB THR 108 10.575 -8.820 7.787 809 HG1 THR 108 HG1 THR 108 10.765 -6.102 6.979 810 HG21 THR 108 HG21 THR 108 11.388 -9.287 5.636 811 HG22 THR 108 HG22 THR 108 12.307 -7.871 6.148 812 HG23 THR 108 HG23 THR 108 10.957 -7.688 5.029 813 H ASN 109 H ASN 109 7.348 -6.231 7.207 814 HA ASN 109 HA ASN 109 6.889 -6.952 9.939 815 HB2 ASN 109 HB2 ASN 109 5.758 -4.821 8.146 816 HB3 ASN 109 HB3 ASN 109 5.128 -5.083 9.771 817 HD21 ASN 109 HD21 ASN 109 6.597 -4.857 11.552 818 HD22 ASN 109 HD22 ASN 109 7.953 -3.796 11.419 819 H TYR 110 H TYR 110 5.548 -8.095 7.078 820 HA TYR 110 HA TYR 110 2.846 -8.453 7.805 821 HB2 TYR 110 HB2 TYR 110 3.541 -8.735 5.497 822 HB3 TYR 110 HB3 TYR 110 4.624 -10.047 5.942 823 HD1 TYR 110 HD1 TYR 110 1.017 -9.109 5.788 824 HD2 TYR 110 HD2 TYR 110 3.872 -12.264 5.959 825 HE1 TYR 110 HE1 TYR 110 -0.765 -10.744 5.383 826 HE2 TYR 110 HE2 TYR 110 2.088 -13.904 5.547 827 HH TYR 110 HH TYR 110 -0.851 -13.580 6.062 828 H GLY 111 H GLY 111 1.883 -9.845 9.175 829 HA2 GLY 111 HA2 GLY 111 3.532 -11.498 10.854 830 HA3 GLY 111 HA3 GLY 111 1.792 -11.294 10.982 831 H ALA 112 H ALA 112 3.817 -13.637 10.845 832 HA ALA 112 HA ALA 112 2.833 -15.140 8.572 833 HB1 ALA 112 HB1 ALA 112 4.324 -16.919 9.396 834 HB2 ALA 112 HB2 ALA 112 4.709 -15.925 10.800 835 HB3 ALA 112 HB3 ALA 112 5.161 -15.381 9.183 836 H VAL 113 H VAL 113 1.606 -14.451 11.547 837 HA VAL 113 HA VAL 113 0.675 -16.918 12.519 838 HB VAL 113 HB VAL 113 -0.464 -14.134 12.824 839 HG11 VAL 113 HG11 VAL 113 -2.189 -14.890 14.017 840 HG12 VAL 113 HG12 VAL 113 -1.177 -16.030 14.904 841 HG13 VAL 113 HG13 VAL 113 -1.837 -16.476 13.330 842 HG21 VAL 113 HG21 VAL 113 0.757 -15.522 15.106 843 HG22 VAL 113 HG22 VAL 113 0.918 -13.848 14.575 844 HG23 VAL 113 HG23 VAL 113 1.865 -15.117 13.797 845 H LEU 114 H LEU 114 -0.833 -14.564 10.319 846 HA LEU 114 HA LEU 114 -2.730 -16.675 9.532 847 HB2 LEU 114 HB2 LEU 114 -3.875 -14.918 10.794 848 HB3 LEU 114 HB3 LEU 114 -3.231 -13.700 9.712 849 HG LEU 114 HG LEU 114 -4.541 -14.673 7.855 850 HD11 LEU 114 HD11 LEU 114 -5.031 -16.854 8.157 851 HD12 LEU 114 HD12 LEU 114 -6.483 -16.203 8.919 852 HD13 LEU 114 HD13 LEU 114 -5.115 -16.706 9.913 853 HD21 LEU 114 HD21 LEU 114 -5.997 -13.825 10.348 854 HD22 LEU 114 HD22 LEU 114 -6.804 -14.051 8.797 855 HD23 LEU 114 HD23 LEU 114 -5.535 -12.836 8.962 856 H SER 115 H SER 115 -2.240 -17.351 7.547 857 HA SER 115 HA SER 115 -1.513 -15.343 5.529 858 HB2 SER 115 HB2 SER 115 -0.217 -18.059 5.869 859 HB3 SER 115 HB3 SER 115 0.106 -16.930 4.553 860 HG SER 115 HG SER 115 0.369 -15.713 6.950 861 HA PRO 116 HA PRO 116 -4.885 -17.398 3.427 862 HB2 PRO 116 HB2 PRO 116 -4.816 -15.925 1.160 863 HB3 PRO 116 HB3 PRO 116 -5.466 -15.288 2.677 864 HG2 PRO 116 HG2 PRO 116 -2.754 -14.881 1.459 865 HG3 PRO 116 HG3 PRO 116 -3.836 -13.685 2.200 866 HD2 PRO 116 HD2 PRO 116 -1.737 -14.764 3.524 867 HD3 PRO 116 HD3 PRO 116 -3.238 -14.288 4.346 868 H SER 117 H SER 117 -5.156 -18.791 1.590 869 HA SER 117 HA SER 117 -2.875 -20.303 0.922 870 HB2 SER 117 HB2 SER 117 -5.586 -20.236 -0.428 871 HB3 SER 117 HB3 SER 117 -4.369 -21.497 -0.637 872 HG SER 117 HG SER 117 -5.663 -22.277 0.928 873 H GLU 118 H GLU 118 -1.292 -19.773 -0.421 874 HA GLU 118 HA GLU 118 -1.934 -18.377 -2.919 875 HB2 GLU 118 HB2 GLU 118 0.358 -17.645 -1.081 876 HB3 GLU 118 HB3 GLU 118 0.068 -16.958 -2.674 877 HG2 GLU 118 HG2 GLU 118 -2.061 -16.034 -1.870 878 HG3 GLU 118 HG3 GLU 118 -1.726 -16.692 -0.268 879 H LYS 119 H LYS 119 -0.352 -18.678 -4.598 880 HA LYS 119 HA LYS 119 1.023 -21.247 -4.354 881 HB2 LYS 119 HB2 LYS 119 -0.138 -19.680 -6.580 882 HB3 LYS 119 HB3 LYS 119 1.351 -20.534 -6.958 883 HG2 LYS 119 HG2 LYS 119 -0.103 -22.178 -7.486 884 HG3 LYS 119 HG3 LYS 119 0.028 -22.522 -5.761 885 HD2 LYS 119 HD2 LYS 119 -1.996 -21.290 -5.313 886 HD3 LYS 119 HD3 LYS 119 -2.091 -20.765 -6.995 887 HE2 LYS 119 HE2 LYS 119 -3.635 -22.570 -6.678 888 HE3 LYS 119 HE3 LYS 119 -2.297 -23.149 -7.668 889 HZ1 LYS 119 HZ1 LYS 119 -1.904 -23.540 -4.843 890 HZ2 LYS 119 HZ2 LYS 119 -1.706 -24.628 -6.124 891 HZ3 LYS 119 HZ3 LYS 119 -3.240 -24.378 -5.458 892 H SER 120 H SER 120 3.192 -21.391 -5.534 893 HA SER 120 HA SER 120 4.986 -19.538 -4.365 894 HB2 SER 120 HB2 SER 120 5.457 -21.599 -6.535 895 HB3 SER 120 HB3 SER 120 6.726 -20.748 -5.656 896 HG SER 120 HG SER 120 6.374 -22.729 -4.671 897 H TYR 121 H TYR 121 5.753 -17.645 -5.107 898 HA TYR 121 HA TYR 121 5.150 -16.934 -7.900 899 HB2 TYR 121 HB2 TYR 121 5.546 -15.091 -5.534 900 HB3 TYR 121 HB3 TYR 121 5.164 -14.589 -7.178 901 HD1 TYR 121 HD1 TYR 121 3.784 -15.022 -4.057 902 HD2 TYR 121 HD2 TYR 121 2.988 -15.961 -8.131 903 HE1 TYR 121 HE1 TYR 121 1.387 -15.203 -3.541 904 HE2 TYR 121 HE2 TYR 121 0.588 -16.144 -7.624 905 HH TYR 121 HH TYR 121 -0.965 -15.035 -5.637 906 H GLN 122 H GLN 122 7.629 -18.104 -6.296 907 HA GLN 122 HA GLN 122 9.583 -16.455 -7.748 908 HB2 GLN 122 HB2 GLN 122 9.911 -17.616 -4.974 909 HB3 GLN 122 HB3 GLN 122 11.204 -16.869 -5.902 910 HG2 GLN 122 HG2 GLN 122 9.927 -14.759 -5.923 911 HG3 GLN 122 HG3 GLN 122 8.701 -15.521 -4.912 912 HE21 GLN 122 HE21 GLN 122 8.869 -14.840 -2.901 913 HE22 GLN 122 HE22 GLN 122 10.339 -14.576 -2.035 914 H GLU 123 H GLU 123 11.411 -17.549 -8.553 915 HA GLU 123 HA GLU 123 10.919 -20.168 -9.495 916 HB2 GLU 123 HB2 GLU 123 13.421 -18.477 -9.470 917 HB3 GLU 123 HB3 GLU 123 13.334 -20.051 -10.248 918 HG2 GLU 123 HG2 GLU 123 11.663 -17.643 -10.944 919 HG3 GLU 123 HG3 GLU 123 13.045 -18.248 -11.854 920 H GLY 124 H GLY 124 12.911 -18.931 -6.854 921 HA2 GLY 124 HA2 GLY 124 12.709 -21.092 -5.188 922 HA3 GLY 124 HA3 GLY 124 14.063 -21.485 -6.236 Start of MODEL 18 1 H1 SER 1 HT1 SER 1 0.799 3.563 -19.681 2 H2 SER 1 HT2 SER 1 0.678 4.314 -18.168 3 H3 SER 1 HT3 SER 1 2.185 3.789 -18.735 4 HA SER 1 HA SER 1 1.845 5.365 -20.666 5 HB2 SER 1 HB2 SER 1 0.198 7.092 -18.962 6 HB3 SER 1 HB3 SER 1 0.057 6.745 -20.686 7 HG SER 1 HG SER 1 -0.582 4.556 -19.302 8 H GLU 2 H GLU 2 2.448 5.039 -17.383 9 HA GLU 2 HA GLU 2 3.918 5.944 -15.912 10 HB2 GLU 2 HB2 GLU 2 5.218 6.768 -18.505 11 HB3 GLU 2 HB3 GLU 2 5.965 7.039 -16.938 12 HG2 GLU 2 HG2 GLU 2 6.072 4.684 -16.508 13 HG3 GLU 2 HG3 GLU 2 5.128 4.332 -17.956 14 H PHE 3 H PHE 3 1.642 7.483 -16.191 15 HA PHE 3 HA PHE 3 2.582 10.256 -16.285 16 HB2 PHE 3 HB2 PHE 3 -0.041 8.938 -16.669 17 HB3 PHE 3 HB3 PHE 3 -0.076 10.506 -15.872 18 HD1 PHE 3 HD1 PHE 3 1.441 8.853 -18.857 19 HD2 PHE 3 HD2 PHE 3 -0.238 12.386 -17.175 20 HE1 PHE 3 HE1 PHE 3 1.592 9.963 -21.046 21 HE2 PHE 3 HE2 PHE 3 -0.088 13.501 -19.364 22 HZ PHE 3 HZ PHE 3 0.825 12.289 -21.303 23 H GLY 4 H GLY 4 2.479 11.635 -14.544 24 HA2 GLY 4 HA2 GLY 4 1.097 11.195 -12.153 25 HA3 GLY 4 HA3 GLY 4 2.705 10.512 -11.970 26 H SER 5 H SER 5 2.450 12.310 -10.218 27 HA SER 5 HA SER 5 3.628 14.765 -11.339 28 HB2 SER 5 HB2 SER 5 1.761 14.557 -8.961 29 HB3 SER 5 HB3 SER 5 2.550 16.034 -9.511 30 HG SER 5 HG SER 5 0.387 15.802 -10.296 31 H MET 6 H MET 6 5.303 15.718 -10.144 32 HA MET 6 HA MET 6 6.740 13.860 -8.439 33 HB2 MET 6 HB2 MET 6 7.470 16.538 -9.628 34 HB3 MET 6 HB3 MET 6 8.536 15.634 -8.566 35 HG2 MET 6 HG2 MET 6 8.687 13.836 -10.131 36 HG3 MET 6 HG3 MET 6 7.449 14.561 -11.155 37 HE1 MET 6 HE1 MET 6 10.760 14.793 -9.537 38 HE2 MET 6 HE2 MET 6 10.925 16.546 -9.665 39 HE3 MET 6 HE3 MET 6 11.833 15.493 -10.748 40 H ALA 7 H ALA 7 5.007 14.104 -6.749 41 HA ALA 7 HA ALA 7 5.912 16.015 -4.768 42 HB1 ALA 7 HB1 ALA 7 2.966 16.021 -5.236 43 HB2 ALA 7 HB2 ALA 7 3.999 17.021 -6.259 44 HB3 ALA 7 HB3 ALA 7 3.995 17.256 -4.511 45 H GLY 8 H GLY 8 5.190 15.513 -2.630 46 HA2 GLY 8 HA2 GLY 8 3.410 13.819 -1.622 47 HA3 GLY 8 HA3 GLY 8 4.561 12.685 -2.312 48 H ASN 9 H ASN 9 3.745 13.311 0.518 49 HA ASN 9 HA ASN 9 6.429 13.300 1.614 50 HB2 ASN 9 HB2 ASN 9 5.726 15.726 1.503 51 HB3 ASN 9 HB3 ASN 9 4.442 15.329 2.643 52 HD21 ASN 9 HD21 ASN 9 5.200 16.600 4.287 53 HD22 ASN 9 HD22 ASN 9 6.661 16.263 5.146 54 H CYS 10 H CYS 10 6.401 11.545 2.873 55 HA CYS 10 HA CYS 10 4.436 11.288 4.962 56 HB2 CYS 10 HB2 CYS 10 3.399 10.217 2.890 57 HB3 CYS 10 HB3 CYS 10 4.663 8.995 3.009 58 HG CYS 10 HG CYS 10 1.849 8.613 4.198 59 H GLY 11 H GLY 11 5.059 9.776 6.582 60 HA2 GLY 11 HA2 GLY 11 7.890 9.500 6.851 61 HA3 GLY 11 HA3 GLY 11 6.680 8.912 7.977 62 H ALA 12 H ALA 12 8.995 7.489 7.401 63 HA ALA 12 HA ALA 12 8.365 5.433 5.460 64 HB1 ALA 12 HB1 ALA 12 10.541 4.476 6.105 65 HB2 ALA 12 HB2 ALA 12 10.703 5.722 7.343 66 HB3 ALA 12 HB3 ALA 12 10.658 6.174 5.637 67 H ARG 13 H ARG 13 7.435 5.976 8.582 68 HA ARG 13 HA ARG 13 6.383 4.741 10.160 69 HB2 ARG 13 HB2 ARG 13 5.422 3.690 7.983 70 HB3 ARG 13 HB3 ARG 13 6.450 2.322 8.378 71 HG2 ARG 13 HG2 ARG 13 4.279 1.862 9.221 72 HG3 ARG 13 HG3 ARG 13 5.313 2.220 10.607 73 HD2 ARG 13 HD2 ARG 13 4.416 4.435 10.785 74 HD3 ARG 13 HD3 ARG 13 3.521 4.246 9.277 75 HE ARG 13 HE ARG 13 2.799 3.214 11.883 76 HH11 ARG 13 HH11 ARG 13 0.730 2.287 12.079 77 HH12 ARG 13 HH12 ARG 13 -0.183 1.915 10.651 78 HH21 ARG 13 HH21 ARG 13 2.274 3.063 8.439 79 HH22 ARG 13 HH22 ARG 13 0.698 2.355 8.579 80 H GLY 14 H GLY 14 7.238 1.575 9.665 81 HA2 GLY 14 HA2 GLY 14 9.028 0.256 10.387 82 HA3 GLY 14 HA3 GLY 14 9.869 1.714 10.887 83 H ALA 15 H ALA 15 6.720 1.724 12.041 84 HA ALA 15 HA ALA 15 7.658 0.904 14.700 85 HB1 ALA 15 HB1 ALA 15 5.058 2.282 14.432 86 HB2 ALA 15 HB2 ALA 15 6.487 3.221 14.002 87 HB3 ALA 15 HB3 ALA 15 6.350 2.512 15.611 88 H LEU 16 H LEU 16 5.176 0.519 15.916 89 HA LEU 16 HA LEU 16 4.651 -2.187 15.356 90 HB2 LEU 16 HB2 LEU 16 4.243 -1.137 17.545 91 HB3 LEU 16 HB3 LEU 16 2.949 -0.184 16.848 92 HG LEU 16 HG LEU 16 1.687 -2.264 16.392 93 HD11 LEU 16 HD11 LEU 16 2.895 -4.140 16.270 94 HD12 LEU 16 HD12 LEU 16 2.792 -4.158 18.032 95 HD13 LEU 16 HD13 LEU 16 4.208 -3.468 17.239 96 HD21 LEU 16 HD21 LEU 16 1.307 -0.985 18.447 97 HD22 LEU 16 HD22 LEU 16 2.541 -1.939 19.266 98 HD23 LEU 16 HD23 LEU 16 1.062 -2.713 18.699 99 H SER 17 H SER 17 3.143 -3.201 14.099 100 HA SER 17 HA SER 17 2.000 -1.720 11.954 101 HB2 SER 17 HB2 SER 17 0.908 -4.039 11.515 102 HB3 SER 17 HB3 SER 17 2.662 -3.880 11.387 103 HG SER 17 HG SER 17 1.294 -5.511 12.953 104 H ALA 18 H ALA 18 0.371 -0.375 12.341 105 HA ALA 18 HA ALA 18 -1.826 -1.143 14.099 106 HB1 ALA 18 HB1 ALA 18 -0.692 1.185 14.019 107 HB2 ALA 18 HB2 ALA 18 -2.448 1.092 14.151 108 HB3 ALA 18 HB3 ALA 18 -1.700 1.443 12.593 109 H HIS 19 H HIS 19 -0.999 -1.411 10.901 110 HA HIS 19 HA HIS 19 -3.736 -1.239 9.899 111 HB2 HIS 19 HB2 HIS 19 -1.075 -1.347 8.503 112 HB3 HIS 19 HB3 HIS 19 -2.599 -1.548 7.643 113 HD2 HIS 19 HD2 HIS 19 -3.938 0.745 7.067 114 HE1 HIS 19 HE1 HIS 19 -1.390 3.425 9.082 115 H THR 20 H THR 20 -2.577 -3.528 11.555 116 HA THR 20 HA THR 20 -2.465 -5.730 9.701 117 HB THR 20 HB THR 20 -2.794 -5.865 12.705 118 HG1 THR 20 HG1 THR 20 -0.855 -4.994 12.693 119 HG21 THR 20 HG21 THR 20 -2.977 -7.897 10.928 120 HG22 THR 20 HG22 THR 20 -2.355 -8.085 12.569 121 HG23 THR 20 HG23 THR 20 -1.237 -7.886 11.220 122 H LEU 21 H LEU 21 -4.243 -6.459 8.707 123 HA LEU 21 HA LEU 21 -6.557 -7.240 10.242 124 HB2 LEU 21 HB2 LEU 21 -6.666 -5.011 8.247 125 HB3 LEU 21 HB3 LEU 21 -8.056 -6.059 8.459 126 HG LEU 21 HG LEU 21 -6.776 -4.544 10.735 127 HD11 LEU 21 HD11 LEU 21 -9.269 -3.749 9.250 128 HD12 LEU 21 HD12 LEU 21 -7.681 -3.058 8.915 129 HD13 LEU 21 HD13 LEU 21 -8.415 -2.852 10.505 130 HD21 LEU 21 HD21 LEU 21 -8.024 -6.216 11.704 131 HD22 LEU 21 HD22 LEU 21 -9.216 -6.233 10.404 132 HD23 LEU 21 HD23 LEU 21 -9.214 -4.922 11.582 133 H LEU 22 H LEU 22 -8.241 -8.277 8.704 134 HA LEU 22 HA LEU 22 -6.978 -10.415 7.393 135 HB2 LEU 22 HB2 LEU 22 -9.143 -10.639 8.430 136 HB3 LEU 22 HB3 LEU 22 -9.841 -9.487 7.308 137 HG LEU 22 HG LEU 22 -9.422 -11.073 5.451 138 HD11 LEU 22 HD11 LEU 22 -9.022 -13.498 6.297 139 HD12 LEU 22 HD12 LEU 22 -8.272 -12.700 7.678 140 HD13 LEU 22 HD13 LEU 22 -7.649 -12.420 6.053 141 HD21 LEU 22 HD21 LEU 22 -11.081 -11.987 7.788 142 HD22 LEU 22 HD22 LEU 22 -11.117 -12.784 6.216 143 HD23 LEU 22 HD23 LEU 22 -11.603 -11.095 6.358 144 H PHE 23 H PHE 23 -8.810 -7.688 5.901 145 HA PHE 23 HA PHE 23 -7.969 -8.654 3.276 146 HB2 PHE 23 HB2 PHE 23 -9.797 -6.362 4.026 147 HB3 PHE 23 HB3 PHE 23 -9.440 -6.868 2.378 148 HD1 PHE 23 HD1 PHE 23 -11.447 -7.448 5.300 149 HD2 PHE 23 HD2 PHE 23 -10.131 -9.162 1.633 150 HE1 PHE 23 HE1 PHE 23 -13.289 -9.075 5.402 151 HE2 PHE 23 HE2 PHE 23 -11.973 -10.790 1.730 152 HZ PHE 23 HZ PHE 23 -13.555 -10.747 3.616 153 H ASP 24 H ASP 24 -7.473 -5.936 5.410 154 HA ASP 24 HA ASP 24 -5.484 -4.868 3.547 155 HB2 ASP 24 HB2 ASP 24 -5.540 -2.785 4.974 156 HB3 ASP 24 HB3 ASP 24 -7.007 -3.119 4.064 157 H LEU 25 H LEU 25 -4.223 -6.708 4.207 158 HA LEU 25 HA LEU 25 -3.229 -7.397 6.640 159 HB2 LEU 25 HB2 LEU 25 -1.762 -7.226 4.009 160 HB3 LEU 25 HB3 LEU 25 -1.159 -8.085 5.413 161 HG LEU 25 HG LEU 25 -3.735 -8.736 3.980 162 HD11 LEU 25 HD11 LEU 25 -1.344 -10.505 3.941 163 HD12 LEU 25 HD12 LEU 25 -1.422 -9.139 2.829 164 HD13 LEU 25 HD13 LEU 25 -2.677 -10.377 2.793 165 HD21 LEU 25 HD21 LEU 25 -3.266 -10.930 5.325 166 HD22 LEU 25 HD22 LEU 25 -4.072 -9.563 6.095 167 HD23 LEU 25 HD23 LEU 25 -2.354 -9.846 6.375 168 HA PRO 26 HA PRO 26 -0.679 -4.485 8.771 169 HB2 PRO 26 HB2 PRO 26 1.829 -5.815 8.363 170 HB3 PRO 26 HB3 PRO 26 0.808 -5.831 9.800 171 HG2 PRO 26 HG2 PRO 26 1.006 -7.804 7.605 172 HG3 PRO 26 HG3 PRO 26 0.529 -8.041 9.297 173 HD2 PRO 26 HD2 PRO 26 -1.274 -8.137 7.332 174 HD3 PRO 26 HD3 PRO 26 -1.668 -7.390 8.893 175 HA PRO 27 HA PRO 27 1.236 -1.419 6.311 176 HB2 PRO 27 HB2 PRO 27 3.670 -1.706 8.015 177 HB3 PRO 27 HB3 PRO 27 2.786 -0.248 7.537 178 HG2 PRO 27 HG2 PRO 27 2.480 -1.275 9.951 179 HG3 PRO 27 HG3 PRO 27 1.098 -0.605 9.067 180 HD2 PRO 27 HD2 PRO 27 1.814 -3.452 9.587 181 HD3 PRO 27 HD3 PRO 27 0.216 -2.698 9.436 182 H ALA 28 H ALA 28 2.704 -4.496 6.509 183 HA ALA 28 HA ALA 28 5.068 -4.158 5.087 184 HB1 ALA 28 HB1 ALA 28 4.877 -6.293 5.887 185 HB2 ALA 28 HB2 ALA 28 4.382 -6.564 4.216 186 HB3 ALA 28 HB3 ALA 28 3.164 -6.410 5.482 187 H LEU 29 H LEU 29 1.712 -4.397 3.927 188 HA LEU 29 HA LEU 29 2.745 -3.945 1.210 189 HB2 LEU 29 HB2 LEU 29 0.994 -5.845 1.989 190 HB3 LEU 29 HB3 LEU 29 -0.119 -4.567 1.538 191 HG LEU 29 HG LEU 29 0.841 -4.463 -0.689 192 HD11 LEU 29 HD11 LEU 29 2.961 -5.092 -0.944 193 HD12 LEU 29 HD12 LEU 29 2.393 -6.759 -0.896 194 HD13 LEU 29 HD13 LEU 29 2.951 -5.977 0.581 195 HD21 LEU 29 HD21 LEU 29 0.510 -7.233 -0.921 196 HD22 LEU 29 HD22 LEU 29 -0.705 -5.979 -1.162 197 HD23 LEU 29 HD23 LEU 29 -0.518 -6.732 0.422 198 H LEU 30 H LEU 30 -0.436 -3.133 2.602 199 HA LEU 30 HA LEU 30 -0.751 -0.807 1.085 200 HB2 LEU 30 HB2 LEU 30 -2.601 -2.057 2.093 201 HB3 LEU 30 HB3 LEU 30 -2.056 -1.593 3.692 202 HG LEU 30 HG LEU 30 -2.534 0.733 2.030 203 HD11 LEU 30 HD11 LEU 30 -4.157 -0.764 0.953 204 HD12 LEU 30 HD12 LEU 30 -4.941 0.533 1.855 205 HD13 LEU 30 HD13 LEU 30 -4.876 -1.094 2.529 206 HD21 LEU 30 HD21 LEU 30 -4.138 1.148 4.000 207 HD22 LEU 30 HD22 LEU 30 -2.406 1.093 4.323 208 HD23 LEU 30 HD23 LEU 30 -3.418 -0.302 4.698 209 H GLY 31 H GLY 31 0.259 -1.080 4.515 210 HA2 GLY 31 HA2 GLY 31 0.351 1.690 4.998 211 HA3 GLY 31 HA3 GLY 31 1.223 0.475 5.913 212 H GLU 32 H GLU 32 3.047 -0.493 4.172 213 HA GLU 32 HA GLU 32 4.974 1.591 4.114 214 HB2 GLU 32 HB2 GLU 32 5.456 -0.795 4.584 215 HB3 GLU 32 HB3 GLU 32 5.140 -1.159 2.889 216 HG2 GLU 32 HG2 GLU 32 7.177 0.914 3.515 217 HG3 GLU 32 HG3 GLU 32 7.586 -0.776 3.793 218 H LEU 33 H LEU 33 3.181 -0.079 1.523 219 HA LEU 33 HA LEU 33 4.625 1.205 -0.546 220 HB2 LEU 33 HB2 LEU 33 1.924 -0.137 -0.619 221 HB3 LEU 33 HB3 LEU 33 2.771 0.466 -2.034 222 HG LEU 33 HG LEU 33 3.774 -1.697 -0.183 223 HD11 LEU 33 HD11 LEU 33 2.561 -1.823 -2.936 224 HD12 LEU 33 HD12 LEU 33 1.922 -2.522 -1.448 225 HD13 LEU 33 HD13 LEU 33 3.406 -3.161 -2.157 226 HD21 LEU 33 HD21 LEU 33 5.250 -1.916 -2.424 227 HD22 LEU 33 HD22 LEU 33 5.754 -1.006 -1.000 228 HD23 LEU 33 HD23 LEU 33 5.022 -0.169 -2.369 229 H CYS 34 H CYS 34 1.625 2.103 1.140 230 HA CYS 34 HA CYS 34 1.114 4.270 -0.662 231 HB2 CYS 34 HB2 CYS 34 -0.681 4.902 0.761 232 HB3 CYS 34 HB3 CYS 34 -0.648 3.141 0.747 233 HG CYS 34 HG CYS 34 0.642 2.971 3.259 234 H ALA 35 H ALA 35 2.902 3.920 2.334 235 HA ALA 35 HA ALA 35 3.168 6.778 2.706 236 HB1 ALA 35 HB1 ALA 35 3.215 5.985 4.788 237 HB2 ALA 35 HB2 ALA 35 4.922 5.670 4.470 238 HB3 ALA 35 HB3 ALA 35 3.734 4.379 4.271 239 H VAL 36 H VAL 36 5.528 4.137 2.221 240 HA VAL 36 HA VAL 36 7.745 5.847 1.928 241 HB VAL 36 HB VAL 36 7.346 2.971 1.107 242 HG11 VAL 36 HG11 VAL 36 9.524 2.772 0.416 243 HG12 VAL 36 HG12 VAL 36 10.066 4.161 1.360 244 HG13 VAL 36 HG13 VAL 36 9.173 4.409 -0.142 245 HG21 VAL 36 HG21 VAL 36 7.283 3.388 3.500 246 HG22 VAL 36 HG22 VAL 36 8.813 4.258 3.409 247 HG23 VAL 36 HG23 VAL 36 8.761 2.530 3.066 248 H LEU 37 H LEU 37 5.689 4.300 -0.555 249 HA LEU 37 HA LEU 37 7.281 5.306 -2.692 250 HB2 LEU 37 HB2 LEU 37 4.447 4.303 -2.796 251 HB3 LEU 37 HB3 LEU 37 5.485 4.598 -4.181 252 HG LEU 37 HG LEU 37 5.890 2.495 -2.058 253 HD11 LEU 37 HD11 LEU 37 4.234 1.707 -3.470 254 HD12 LEU 37 HD12 LEU 37 5.713 1.046 -4.168 255 HD13 LEU 37 HD13 LEU 37 4.949 2.460 -4.894 256 HD21 LEU 37 HD21 LEU 37 8.062 2.825 -2.567 257 HD22 LEU 37 HD22 LEU 37 7.693 3.656 -4.079 258 HD23 LEU 37 HD23 LEU 37 7.648 1.894 -4.008 259 H ASP 38 H ASP 38 4.825 6.690 -0.744 260 HA ASP 38 HA ASP 38 3.776 8.591 -2.518 261 HB2 ASP 38 HB2 ASP 38 2.866 8.060 -0.229 262 HB3 ASP 38 HB3 ASP 38 4.200 8.988 0.453 263 H SER 39 H SER 39 6.657 8.595 -0.512 264 HA SER 39 HA SER 39 7.360 11.305 -1.293 265 HB2 SER 39 HB2 SER 39 9.300 11.005 0.178 266 HB3 SER 39 HB3 SER 39 7.816 10.542 1.009 267 HG SER 39 HG SER 39 8.640 8.347 -0.102 268 H CYS 40 H CYS 40 7.468 8.475 -2.849 269 HA CYS 40 HA CYS 40 10.134 8.299 -3.787 270 HB2 CYS 40 HB2 CYS 40 8.498 6.438 -3.893 271 HB3 CYS 40 HB3 CYS 40 7.614 7.315 -5.143 272 HG CYS 40 HG CYS 40 10.314 5.408 -5.389 273 H ASP 41 H ASP 41 11.080 9.000 -5.649 274 HA ASP 41 HA ASP 41 9.600 10.937 -7.277 275 HB2 ASP 41 HB2 ASP 41 11.160 11.976 -5.484 276 HB3 ASP 41 HB3 ASP 41 12.471 11.424 -6.524 277 H GLY 42 H GLY 42 9.858 8.414 -8.109 278 HA2 GLY 42 HA2 GLY 42 10.344 7.567 -10.258 279 HA3 GLY 42 HA3 GLY 42 11.673 8.703 -10.381 280 H ALA 43 H ALA 43 12.320 7.618 -7.476 281 HA ALA 43 HA ALA 43 14.401 5.891 -8.271 282 HB1 ALA 43 HB1 ALA 43 13.173 6.212 -5.532 283 HB2 ALA 43 HB2 ALA 43 14.482 7.188 -6.200 284 HB3 ALA 43 HB3 ALA 43 14.734 5.471 -5.886 285 H LEU 44 H LEU 44 11.220 5.255 -6.899 286 HA LEU 44 HA LEU 44 11.534 2.400 -7.566 287 HB2 LEU 44 HB2 LEU 44 9.715 3.639 -5.476 288 HB3 LEU 44 HB3 LEU 44 9.839 1.932 -5.841 289 HG LEU 44 HG LEU 44 12.101 3.608 -4.730 290 HD11 LEU 44 HD11 LEU 44 10.486 3.419 -3.014 291 HD12 LEU 44 HD12 LEU 44 11.707 2.190 -2.688 292 HD13 LEU 44 HD13 LEU 44 10.164 1.730 -3.404 293 HD21 LEU 44 HD21 LEU 44 13.070 1.845 -5.934 294 HD22 LEU 44 HD22 LEU 44 11.829 0.700 -5.425 295 HD23 LEU 44 HD23 LEU 44 13.025 1.277 -4.264 296 H GLY 45 H GLY 45 9.633 5.279 -7.814 297 HA2 GLY 45 HA2 GLY 45 8.139 5.854 -9.492 298 HA3 GLY 45 HA3 GLY 45 8.171 4.188 -10.053 299 H TRP 46 H TRP 46 6.407 6.534 -8.326 300 HA TRP 46 HA TRP 46 4.878 5.024 -6.572 301 HB2 TRP 46 HB2 TRP 46 3.025 6.708 -7.034 302 HB3 TRP 46 HB3 TRP 46 4.588 7.378 -6.527 303 HD1 TRP 46 HD1 TRP 46 2.226 7.180 -9.525 304 HE1 TRP 46 HE1 TRP 46 2.933 8.938 -11.261 305 HE3 TRP 46 HE3 TRP 46 6.596 8.727 -7.373 306 HZ2 TRP 46 HZ2 TRP 46 5.059 10.757 -11.660 307 HZ3 TRP 46 HZ3 TRP 46 7.903 10.484 -8.495 308 HH2 TRP 46 HH2 TRP 46 7.149 11.477 -10.591 309 H ARG 47 H ARG 47 4.359 5.520 -10.056 310 HA ARG 47 HA ARG 47 2.133 3.667 -10.080 311 HB2 ARG 47 HB2 ARG 47 2.570 4.040 -12.694 312 HB3 ARG 47 HB3 ARG 47 1.640 5.161 -11.717 313 HG2 ARG 47 HG2 ARG 47 3.145 6.380 -13.121 314 HG3 ARG 47 HG3 ARG 47 3.676 6.551 -11.445 315 HD2 ARG 47 HD2 ARG 47 5.096 4.375 -12.213 316 HD3 ARG 47 HD3 ARG 47 4.985 5.241 -13.745 317 HE ARG 47 HE ARG 47 6.437 6.058 -11.370 318 HH11 ARG 47 HH11 ARG 47 7.860 7.821 -11.602 319 HH12 ARG 47 HH12 ARG 47 7.783 8.801 -13.026 320 HH21 ARG 47 HH21 ARG 47 5.171 6.986 -14.479 321 HH22 ARG 47 HH22 ARG 47 6.249 8.329 -14.665 322 H GLY 48 H GLY 48 5.377 3.149 -9.910 323 HA2 GLY 48 HA2 GLY 48 5.937 1.395 -12.030 324 HA3 GLY 48 HA3 GLY 48 6.731 1.371 -10.466 325 H LEU 49 H LEU 49 4.710 0.646 -8.781 326 HA LEU 49 HA LEU 49 4.488 -2.149 -9.322 327 HB2 LEU 49 HB2 LEU 49 3.212 -0.468 -7.162 328 HB3 LEU 49 HB3 LEU 49 3.250 -2.221 -7.194 329 HG LEU 49 HG LEU 49 5.668 -0.407 -6.961 330 HD11 LEU 49 HD11 LEU 49 4.367 -2.234 -4.950 331 HD12 LEU 49 HD12 LEU 49 4.290 -0.474 -4.950 332 HD13 LEU 49 HD13 LEU 49 5.835 -1.287 -4.710 333 HD21 LEU 49 HD21 LEU 49 6.270 -2.401 -8.165 334 HD22 LEU 49 HD22 LEU 49 5.427 -3.415 -6.993 335 HD23 LEU 49 HD23 LEU 49 6.873 -2.529 -6.512 336 H ALA 50 H ALA 50 2.188 0.566 -9.309 337 HA ALA 50 HA ALA 50 -0.136 -0.943 -9.806 338 HB1 ALA 50 HB1 ALA 50 0.496 1.907 -10.541 339 HB2 ALA 50 HB2 ALA 50 -0.269 1.343 -9.056 340 HB3 ALA 50 HB3 ALA 50 -1.109 1.180 -10.598 341 H GLU 51 H GLU 51 2.146 0.580 -12.032 342 HA GLU 51 HA GLU 51 0.724 0.106 -14.393 343 HB2 GLU 51 HB2 GLU 51 2.578 1.717 -14.229 344 HB3 GLU 51 HB3 GLU 51 3.712 0.391 -13.994 345 HG2 GLU 51 HG2 GLU 51 3.222 -0.440 -16.235 346 HG3 GLU 51 HG3 GLU 51 2.056 0.862 -16.470 347 H ARG 52 H ARG 52 3.182 -1.813 -12.706 348 HA ARG 52 HA ARG 52 3.360 -3.860 -14.666 349 HB2 ARG 52 HB2 ARG 52 4.544 -3.276 -12.117 350 HB3 ARG 52 HB3 ARG 52 4.001 -4.949 -12.130 351 HG2 ARG 52 HG2 ARG 52 5.741 -5.553 -13.354 352 HG3 ARG 52 HG3 ARG 52 5.338 -4.364 -14.591 353 HD2 ARG 52 HD2 ARG 52 6.710 -3.514 -12.072 354 HD3 ARG 52 HD3 ARG 52 7.633 -4.235 -13.389 355 HE ARG 52 HE ARG 52 6.337 -1.634 -13.377 356 HH11 ARG 52 HH11 ARG 52 6.860 -0.235 -15.102 357 HH12 ARG 52 HH12 ARG 52 7.739 -0.848 -16.462 358 HH21 ARG 52 HH21 ARG 52 7.957 -4.115 -15.218 359 HH22 ARG 52 HH22 ARG 52 8.365 -3.058 -16.530 360 H LEU 53 H LEU 53 1.463 -3.503 -11.697 361 HA LEU 53 HA LEU 53 0.292 -6.078 -11.771 362 HB2 LEU 53 HB2 LEU 53 -0.543 -3.504 -10.451 363 HB3 LEU 53 HB3 LEU 53 -1.455 -4.990 -10.274 364 HG LEU 53 HG LEU 53 1.451 -4.732 -9.514 365 HD11 LEU 53 HD11 LEU 53 -0.958 -4.617 -7.705 366 HD12 LEU 53 HD12 LEU 53 0.017 -3.225 -8.173 367 HD13 LEU 53 HD13 LEU 53 0.736 -4.525 -7.224 368 HD21 LEU 53 HD21 LEU 53 -0.606 -6.877 -9.364 369 HD22 LEU 53 HD22 LEU 53 0.568 -6.748 -8.053 370 HD23 LEU 53 HD23 LEU 53 1.121 -6.984 -9.710 371 H SER 54 H SER 54 -0.701 -2.959 -13.082 372 HA SER 54 HA SER 54 -2.137 -2.360 -14.723 373 HB2 SER 54 HB2 SER 54 -1.041 -4.355 -15.878 374 HB3 SER 54 HB3 SER 54 -2.495 -5.258 -15.454 375 HG SER 54 HG SER 54 -2.841 -4.420 -17.463 376 H SER 55 H SER 55 -4.012 -1.553 -14.114 377 HA SER 55 HA SER 55 -5.937 -3.211 -12.691 378 HB2 SER 55 HB2 SER 55 -7.106 -1.120 -12.226 379 HB3 SER 55 HB3 SER 55 -5.393 -0.947 -11.839 380 HG SER 55 HG SER 55 -6.906 0.266 -13.822 381 H SER 56 H SER 56 -5.273 -2.562 -15.845 382 HA SER 56 HA SER 56 -6.376 -2.737 -17.822 383 HB2 SER 56 HB2 SER 56 -8.435 -4.168 -16.122 384 HB3 SER 56 HB3 SER 56 -8.377 -4.194 -17.884 385 HG SER 56 HG SER 56 -6.687 -5.418 -16.023 386 H TRP 57 H TRP 57 -6.704 -0.325 -16.433 387 HA TRP 57 HA TRP 57 -9.026 0.723 -17.764 388 HB2 TRP 57 HB2 TRP 57 -9.693 -0.205 -15.373 389 HB3 TRP 57 HB3 TRP 57 -8.963 1.299 -14.822 390 HD1 TRP 57 HD1 TRP 57 -11.679 0.232 -17.392 391 HE1 TRP 57 HE1 TRP 57 -13.542 2.008 -17.348 392 HE3 TRP 57 HE3 TRP 57 -9.637 3.476 -14.005 393 HZ2 TRP 57 HZ2 TRP 57 -14.077 4.458 -16.050 394 HZ3 TRP 57 HZ3 TRP 57 -10.889 5.511 -13.418 395 HH2 TRP 57 HH2 TRP 57 -13.062 5.991 -14.421 396 H LEU 58 H LEU 58 -9.200 3.208 -16.887 397 HA LEU 58 HA LEU 58 -6.641 4.351 -17.535 398 HB2 LEU 58 HB2 LEU 58 -9.223 5.696 -16.729 399 HB3 LEU 58 HB3 LEU 58 -7.816 6.506 -17.390 400 HG LEU 58 HG LEU 58 -9.497 4.465 -18.854 401 HD11 LEU 58 HD11 LEU 58 -9.305 7.446 -19.261 402 HD12 LEU 58 HD12 LEU 58 -10.638 6.622 -18.450 403 HD13 LEU 58 HD13 LEU 58 -10.318 6.315 -20.157 404 HD21 LEU 58 HD21 LEU 58 -8.172 5.439 -20.822 405 HD22 LEU 58 HD22 LEU 58 -7.352 4.292 -19.764 406 HD23 LEU 58 HD23 LEU 58 -7.041 6.020 -19.599 407 H ASP 59 H ASP 59 -5.855 3.156 -15.489 408 HA ASP 59 HA ASP 59 -6.365 4.169 -12.915 409 HB2 ASP 59 HB2 ASP 59 -5.228 1.987 -13.474 410 HB3 ASP 59 HB3 ASP 59 -3.777 2.916 -13.841 411 H VAL 60 H VAL 60 -4.022 5.123 -15.373 412 HA VAL 60 HA VAL 60 -2.407 6.767 -13.791 413 HB VAL 60 HB VAL 60 -1.745 7.890 -15.886 414 HG11 VAL 60 HG11 VAL 60 -1.789 4.922 -15.615 415 HG12 VAL 60 HG12 VAL 60 -0.435 6.045 -15.495 416 HG13 VAL 60 HG13 VAL 60 -1.109 5.641 -17.075 417 HG21 VAL 60 HG21 VAL 60 -4.239 7.287 -16.802 418 HG22 VAL 60 HG22 VAL 60 -3.261 6.056 -17.602 419 HG23 VAL 60 HG23 VAL 60 -2.883 7.764 -17.822 420 H ASP 61 H ASP 61 -5.574 7.357 -15.096 421 HA ASP 61 HA ASP 61 -5.567 10.179 -15.034 422 HB2 ASP 61 HB2 ASP 61 -7.326 8.826 -16.145 423 HB3 ASP 61 HB3 ASP 61 -7.891 8.289 -14.567 424 H HIS 62 H HIS 62 -6.421 7.750 -12.620 425 HA HIS 62 HA HIS 62 -6.970 9.682 -10.576 426 HB2 HIS 62 HB2 HIS 62 -7.121 6.760 -10.851 427 HB3 HIS 62 HB3 HIS 62 -6.706 7.329 -9.239 428 HD2 HIS 62 HD2 HIS 62 -8.798 7.982 -7.737 429 HE1 HIS 62 HE1 HIS 62 -11.678 8.436 -10.787 430 H ILE 63 H ILE 63 -4.149 7.958 -11.654 431 HA ILE 63 HA ILE 63 -2.672 7.841 -9.284 432 HB ILE 63 HB ILE 63 -1.754 8.088 -12.143 433 HG12 ILE 63 HG12 ILE 63 -1.598 5.778 -10.194 434 HG13 ILE 63 HG13 ILE 63 -2.911 5.996 -11.346 435 HG21 ILE 63 HG21 ILE 63 0.354 8.433 -11.535 436 HG22 ILE 63 HG22 ILE 63 0.290 7.084 -10.400 437 HG23 ILE 63 HG23 ILE 63 -0.202 8.698 -9.883 438 HD11 ILE 63 HD11 ILE 63 -0.477 4.671 -11.733 439 HD12 ILE 63 HD12 ILE 63 -0.397 6.138 -12.709 440 HD13 ILE 63 HD13 ILE 63 -1.730 5.003 -12.927 441 H GLU 64 H GLU 64 -2.879 10.463 -11.675 442 HA GLU 64 HA GLU 64 -1.079 12.193 -10.332 443 HB2 GLU 64 HB2 GLU 64 -3.289 12.728 -12.323 444 HB3 GLU 64 HB3 GLU 64 -2.220 13.984 -11.715 445 HG2 GLU 64 HG2 GLU 64 -0.306 12.900 -12.677 446 HG3 GLU 64 HG3 GLU 64 -1.281 11.513 -13.154 447 H LYS 65 H LYS 65 -4.536 11.665 -10.123 448 HA LYS 65 HA LYS 65 -5.251 13.935 -8.631 449 HB2 LYS 65 HB2 LYS 65 -6.527 11.238 -8.989 450 HB3 LYS 65 HB3 LYS 65 -7.283 12.529 -8.066 451 HG2 LYS 65 HG2 LYS 65 -7.327 13.950 -10.022 452 HG3 LYS 65 HG3 LYS 65 -6.474 12.722 -10.961 453 HD2 LYS 65 HD2 LYS 65 -8.347 11.192 -10.684 454 HD3 LYS 65 HD3 LYS 65 -9.194 12.379 -9.700 455 HE2 LYS 65 HE2 LYS 65 -9.260 13.913 -11.601 456 HE3 LYS 65 HE3 LYS 65 -8.389 12.736 -12.582 457 HZ1 LYS 65 HZ1 LYS 65 -10.824 11.785 -11.317 458 HZ2 LYS 65 HZ2 LYS 65 -10.216 11.485 -12.871 459 HZ3 LYS 65 HZ3 LYS 65 -11.032 12.933 -12.546 460 H GLU 66 H GLU 66 -4.600 10.587 -7.389 461 HA GLU 66 HA GLU 66 -4.964 11.651 -4.695 462 HB2 GLU 66 HB2 GLU 66 -4.270 8.779 -5.341 463 HB3 GLU 66 HB3 GLU 66 -4.913 9.432 -3.851 464 HG2 GLU 66 HG2 GLU 66 -6.386 9.359 -6.470 465 HG3 GLU 66 HG3 GLU 66 -6.625 8.254 -5.120 466 H VAL 67 H VAL 67 -2.329 11.454 -6.736 467 HA VAL 67 HA VAL 67 -0.309 10.503 -5.056 468 HB VAL 67 HB VAL 67 -0.067 11.065 -7.509 469 HG11 VAL 67 HG11 VAL 67 0.450 13.225 -8.239 470 HG12 VAL 67 HG12 VAL 67 0.661 13.829 -6.595 471 HG13 VAL 67 HG13 VAL 67 -0.953 13.432 -7.191 472 HG21 VAL 67 HG21 VAL 67 1.898 10.367 -6.524 473 HG22 VAL 67 HG22 VAL 67 1.964 11.747 -5.428 474 HG23 VAL 67 HG23 VAL 67 2.346 11.960 -7.136 475 H ASP 68 H ASP 68 -1.901 13.624 -5.130 476 HA ASP 68 HA ASP 68 -0.091 14.738 -3.139 477 HB2 ASP 68 HB2 ASP 68 -2.515 15.856 -4.556 478 HB3 ASP 68 HB3 ASP 68 -1.683 16.719 -3.264 479 H GLN 69 H GLN 69 -2.654 12.676 -3.101 480 HA GLN 69 HA GLN 69 -3.724 13.662 -0.547 481 HB2 GLN 69 HB2 GLN 69 -4.866 11.609 -2.451 482 HB3 GLN 69 HB3 GLN 69 -5.615 12.133 -0.950 483 HG2 GLN 69 HG2 GLN 69 -5.075 13.862 -3.357 484 HG3 GLN 69 HG3 GLN 69 -6.639 13.210 -2.873 485 HE21 GLN 69 HE21 GLN 69 -7.057 13.728 -0.410 486 HE22 GLN 69 HE22 GLN 69 -6.855 15.393 -0.002 487 H GLY 70 H GLY 70 -1.171 12.065 -1.047 488 HA2 GLY 70 HA2 GLY 70 -0.199 10.762 0.723 489 HA3 GLY 70 HA3 GLY 70 -1.771 10.042 1.003 490 H LYS 71 H LYS 71 -1.089 10.182 -2.299 491 HA LYS 71 HA LYS 71 0.329 8.799 -3.646 492 HB2 LYS 71 HB2 LYS 71 1.420 7.458 -2.032 493 HB3 LYS 71 HB3 LYS 71 -0.099 6.788 -1.459 494 HG2 LYS 71 HG2 LYS 71 1.097 5.113 -2.704 495 HG3 LYS 71 HG3 LYS 71 -0.356 5.581 -3.588 496 HD2 LYS 71 HD2 LYS 71 1.605 5.316 -5.072 497 HD3 LYS 71 HD3 LYS 71 0.968 6.961 -5.085 498 HE2 LYS 71 HE2 LYS 71 2.948 6.674 -3.041 499 HE3 LYS 71 HE3 LYS 71 3.586 6.134 -4.588 500 HZ1 LYS 71 HZ1 LYS 71 4.037 8.423 -4.445 501 HZ2 LYS 71 HZ2 LYS 71 2.471 8.798 -3.922 502 HZ3 LYS 71 HZ3 LYS 71 2.733 8.291 -5.514 503 H SER 72 H SER 72 -0.419 7.754 -5.377 504 HA SER 72 HA SER 72 -3.172 6.715 -5.313 505 HB2 SER 72 HB2 SER 72 -2.824 9.021 -6.386 506 HB3 SER 72 HB3 SER 72 -1.998 8.147 -7.669 507 HG SER 72 HG SER 72 -4.293 8.455 -8.018 508 H GLY 73 H GLY 73 0.035 6.619 -6.796 509 HA2 GLY 73 HA2 GLY 73 -0.313 4.709 -8.742 510 HA3 GLY 73 HA3 GLY 73 1.147 4.848 -7.761 511 H THR 74 H THR 74 0.755 3.928 -5.428 512 HA THR 74 HA THR 74 -0.126 1.217 -5.838 513 HB THR 74 HB THR 74 0.748 1.292 -3.248 514 HG1 THR 74 HG1 THR 74 2.335 2.783 -3.055 515 HG21 THR 74 HG21 THR 74 2.578 0.112 -4.031 516 HG22 THR 74 HG22 THR 74 2.729 1.105 -5.479 517 HG23 THR 74 HG23 THR 74 1.429 -0.081 -5.354 518 H ARG 75 H ARG 75 -0.922 3.955 -3.737 519 HA ARG 75 HA ARG 75 -2.691 2.624 -2.014 520 HB2 ARG 75 HB2 ARG 75 -1.679 4.888 -1.627 521 HB3 ARG 75 HB3 ARG 75 -2.818 5.535 -2.794 522 HG2 ARG 75 HG2 ARG 75 -4.680 4.914 -1.424 523 HG3 ARG 75 HG3 ARG 75 -3.621 4.087 -0.285 524 HD2 ARG 75 HD2 ARG 75 -2.544 6.221 0.248 525 HD3 ARG 75 HD3 ARG 75 -3.617 7.042 -0.886 526 HE ARG 75 HE ARG 75 -5.232 5.672 0.905 527 HH11 ARG 75 HH11 ARG 75 -6.204 6.709 2.688 528 HH12 ARG 75 HH12 ARG 75 -5.504 8.164 3.314 529 HH21 ARG 75 HH21 ARG 75 -2.884 8.237 0.992 530 HH22 ARG 75 HH22 ARG 75 -3.612 9.039 2.346 531 H GLU 76 H GLU 76 -3.400 4.499 -4.973 532 HA GLU 76 HA GLU 76 -6.198 4.294 -4.768 533 HB2 GLU 76 HB2 GLU 76 -5.180 5.941 -6.245 534 HB3 GLU 76 HB3 GLU 76 -4.453 4.667 -7.218 535 HG2 GLU 76 HG2 GLU 76 -6.365 5.578 -8.345 536 HG3 GLU 76 HG3 GLU 76 -6.700 3.927 -7.851 537 H LEU 77 H LEU 77 -3.830 2.243 -6.429 538 HA LEU 77 HA LEU 77 -5.697 0.527 -7.655 539 HB2 LEU 77 HB2 LEU 77 -3.368 0.657 -8.361 540 HB3 LEU 77 HB3 LEU 77 -2.846 -0.008 -6.826 541 HG LEU 77 HG LEU 77 -3.980 -2.130 -7.362 542 HD11 LEU 77 HD11 LEU 77 -5.734 -1.748 -8.774 543 HD12 LEU 77 HD12 LEU 77 -4.521 -2.283 -9.938 544 HD13 LEU 77 HD13 LEU 77 -4.849 -0.561 -9.736 545 HD21 LEU 77 HD21 LEU 77 -1.579 -1.438 -8.096 546 HD22 LEU 77 HD22 LEU 77 -2.268 -1.485 -9.720 547 HD23 LEU 77 HD23 LEU 77 -2.293 -2.930 -8.707 548 H LEU 78 H LEU 78 -4.007 0.282 -4.528 549 HA LEU 78 HA LEU 78 -5.008 -2.271 -3.846 550 HB2 LEU 78 HB2 LEU 78 -4.036 -0.005 -2.096 551 HB3 LEU 78 HB3 LEU 78 -4.394 -1.616 -1.494 552 HG LEU 78 HG LEU 78 -2.278 -0.978 -3.557 553 HD11 LEU 78 HD11 LEU 78 -1.615 -0.048 -1.456 554 HD12 LEU 78 HD12 LEU 78 -0.706 -1.538 -1.715 555 HD13 LEU 78 HD13 LEU 78 -2.075 -1.521 -0.602 556 HD21 LEU 78 HD21 LEU 78 -1.920 -3.464 -2.212 557 HD22 LEU 78 HD22 LEU 78 -2.166 -3.162 -3.931 558 HD23 LEU 78 HD23 LEU 78 -3.553 -3.410 -2.872 559 H TRP 79 H TRP 79 -6.242 0.986 -3.271 560 HA TRP 79 HA TRP 79 -8.477 0.046 -1.704 561 HB2 TRP 79 HB2 TRP 79 -7.601 2.750 -2.669 562 HB3 TRP 79 HB3 TRP 79 -9.195 2.515 -1.960 563 HD1 TRP 79 HD1 TRP 79 -5.564 2.901 -1.041 564 HE1 TRP 79 HE1 TRP 79 -5.321 2.880 1.521 565 HE3 TRP 79 HE3 TRP 79 -10.290 1.406 0.210 566 HZ2 TRP 79 HZ2 TRP 79 -6.923 2.303 3.776 567 HZ3 TRP 79 HZ3 TRP 79 -10.855 1.145 2.590 568 HH2 TRP 79 HH2 TRP 79 -9.204 1.584 4.335 569 H SER 80 H SER 80 -7.914 0.075 -4.989 570 HA SER 80 HA SER 80 -10.302 1.051 -6.075 571 HB2 SER 80 HB2 SER 80 -8.426 -1.088 -7.083 572 HB3 SER 80 HB3 SER 80 -9.784 -0.465 -8.021 573 HG SER 80 HG SER 80 -7.885 1.300 -6.909 574 H TRP 81 H TRP 81 -9.561 -2.197 -4.822 575 HA TRP 81 HA TRP 81 -12.189 -3.143 -5.620 576 HB2 TRP 81 HB2 TRP 81 -9.818 -4.431 -4.274 577 HB3 TRP 81 HB3 TRP 81 -11.388 -5.234 -4.311 578 HD1 TRP 81 HD1 TRP 81 -8.354 -4.557 -6.418 579 HE1 TRP 81 HE1 TRP 81 -8.642 -5.659 -8.726 580 HE3 TRP 81 HE3 TRP 81 -13.304 -5.801 -6.111 581 HZ2 TRP 81 HZ2 TRP 81 -10.696 -6.895 -10.220 582 HZ3 TRP 81 HZ3 TRP 81 -14.355 -6.942 -8.021 583 HH2 TRP 81 HH2 TRP 81 -13.076 -7.476 -10.032 584 H ALA 82 H ALA 82 -10.815 -3.966 -2.497 585 HA ALA 82 HA ALA 82 -13.213 -2.827 -1.220 586 HB1 ALA 82 HB1 ALA 82 -13.378 -5.016 -0.616 587 HB2 ALA 82 HB2 ALA 82 -12.310 -4.477 0.681 588 HB3 ALA 82 HB3 ALA 82 -11.640 -5.297 -0.732 589 H GLN 83 H GLN 83 -10.270 -3.869 0.349 590 HA GLN 83 HA GLN 83 -9.768 -1.103 1.233 591 HB2 GLN 83 HB2 GLN 83 -9.227 -3.751 2.608 592 HB3 GLN 83 HB3 GLN 83 -8.595 -2.210 3.181 593 HG2 GLN 83 HG2 GLN 83 -10.792 -1.380 3.599 594 HG3 GLN 83 HG3 GLN 83 -11.526 -2.776 2.811 595 HE21 GLN 83 HE21 GLN 83 -11.324 -1.514 5.669 596 HE22 GLN 83 HE22 GLN 83 -11.129 -2.907 6.669 597 H LYS 84 H LYS 84 -8.104 -4.202 0.718 598 HA LYS 84 HA LYS 84 -6.066 -2.777 -0.837 599 HB2 LYS 84 HB2 LYS 84 -4.801 -3.165 1.090 600 HB3 LYS 84 HB3 LYS 84 -5.633 -4.671 1.457 601 HG2 LYS 84 HG2 LYS 84 -4.375 -5.878 -0.084 602 HG3 LYS 84 HG3 LYS 84 -3.870 -4.434 -0.950 603 HD2 LYS 84 HD2 LYS 84 -2.012 -5.311 0.297 604 HD3 LYS 84 HD3 LYS 84 -2.512 -3.786 1.021 605 HE2 LYS 84 HE2 LYS 84 -1.991 -5.612 2.651 606 HE3 LYS 84 HE3 LYS 84 -3.600 -4.905 2.814 607 HZ1 LYS 84 HZ1 LYS 84 -3.154 -7.517 2.730 608 HZ2 LYS 84 HZ2 LYS 84 -3.391 -7.237 1.079 609 HZ3 LYS 84 HZ3 LYS 84 -4.601 -6.816 2.194 610 H ASN 85 H ASN 85 -7.618 -5.824 -0.011 611 HA ASN 85 HA ASN 85 -8.054 -7.748 -1.128 612 HB2 ASN 85 HB2 ASN 85 -9.424 -5.921 -2.352 613 HB3 ASN 85 HB3 ASN 85 -8.253 -6.134 -3.652 614 HD21 ASN 85 HD21 ASN 85 -9.471 -7.125 -5.159 615 HD22 ASN 85 HD22 ASN 85 -10.268 -8.640 -4.935 616 H LYS 86 H LYS 86 -5.298 -7.099 -0.921 617 HA LYS 86 HA LYS 86 -4.268 -8.685 -3.145 618 HB2 LYS 86 HB2 LYS 86 -3.610 -5.895 -2.567 619 HB3 LYS 86 HB3 LYS 86 -2.188 -6.926 -2.579 620 HG2 LYS 86 HG2 LYS 86 -2.273 -6.262 -4.762 621 HG3 LYS 86 HG3 LYS 86 -3.185 -7.772 -4.848 622 HD2 LYS 86 HD2 LYS 86 -5.158 -5.998 -4.271 623 HD3 LYS 86 HD3 LYS 86 -4.070 -4.990 -5.229 624 HE2 LYS 86 HE2 LYS 86 -5.302 -7.621 -6.040 625 HE3 LYS 86 HE3 LYS 86 -5.689 -6.026 -6.684 626 HZ1 LYS 86 HZ1 LYS 86 -3.803 -5.968 -7.925 627 HZ2 LYS 86 HZ2 LYS 86 -4.042 -7.646 -7.909 628 HZ3 LYS 86 HZ3 LYS 86 -2.914 -6.938 -6.859 629 H THR 87 H THR 87 -1.972 -9.484 -2.555 630 HA THR 87 HA THR 87 -1.755 -9.761 0.367 631 HB THR 87 HB THR 87 -1.005 -12.067 0.127 632 HG1 THR 87 HG1 THR 87 -1.490 -12.987 -2.108 633 HG21 THR 87 HG21 THR 87 -3.393 -11.674 0.465 634 HG22 THR 87 HG22 THR 87 -3.126 -13.105 -0.532 635 HG23 THR 87 HG23 THR 87 -3.635 -11.589 -1.279 636 H ILE 88 H ILE 88 0.394 -10.285 1.133 637 HA ILE 88 HA ILE 88 2.356 -8.604 0.064 638 HB ILE 88 HB ILE 88 2.337 -10.692 2.198 639 HG12 ILE 88 HG12 ILE 88 3.188 -8.679 3.509 640 HG13 ILE 88 HG13 ILE 88 2.912 -7.729 2.056 641 HG21 ILE 88 HG21 ILE 88 4.780 -9.986 2.642 642 HG22 ILE 88 HG22 ILE 88 4.801 -9.581 0.925 643 HG23 ILE 88 HG23 ILE 88 4.452 -11.232 1.436 644 HD11 ILE 88 HD11 ILE 88 1.092 -7.547 3.680 645 HD12 ILE 88 HD12 ILE 88 0.813 -9.284 3.550 646 HD13 ILE 88 HD13 ILE 88 0.552 -8.240 2.151 647 H GLY 89 H GLY 89 1.926 -12.117 -0.248 648 HA2 GLY 89 HA2 GLY 89 4.329 -12.651 -1.616 649 HA3 GLY 89 HA3 GLY 89 2.869 -13.631 -1.703 650 H ASP 90 H ASP 90 1.145 -11.691 -2.825 651 HA ASP 90 HA ASP 90 1.696 -12.009 -5.573 652 HB2 ASP 90 HB2 ASP 90 -0.584 -11.796 -4.652 653 HB3 ASP 90 HB3 ASP 90 -0.257 -10.114 -4.252 654 H LEU 91 H LEU 91 1.935 -9.174 -3.451 655 HA LEU 91 HA LEU 91 2.845 -7.444 -5.556 656 HB2 LEU 91 HB2 LEU 91 1.993 -7.157 -2.851 657 HB3 LEU 91 HB3 LEU 91 3.564 -6.400 -3.011 658 HG LEU 91 HG LEU 91 1.962 -4.687 -3.366 659 HD11 LEU 91 HD11 LEU 91 2.714 -3.816 -5.329 660 HD12 LEU 91 HD12 LEU 91 2.507 -5.327 -6.217 661 HD13 LEU 91 HD13 LEU 91 3.883 -5.123 -5.133 662 HD21 LEU 91 HD21 LEU 91 -0.014 -5.988 -3.732 663 HD22 LEU 91 HD22 LEU 91 0.612 -6.611 -5.261 664 HD23 LEU 91 HD23 LEU 91 0.191 -4.903 -5.108 665 H LEU 92 H LEU 92 4.361 -9.598 -3.314 666 HA LEU 92 HA LEU 92 6.921 -8.493 -3.127 667 HB2 LEU 92 HB2 LEU 92 6.133 -10.349 -1.738 668 HB3 LEU 92 HB3 LEU 92 6.100 -11.399 -3.140 669 HG LEU 92 HG LEU 92 8.557 -11.182 -3.340 670 HD11 LEU 92 HD11 LEU 92 8.125 -9.329 -1.055 671 HD12 LEU 92 HD12 LEU 92 9.256 -9.223 -2.405 672 HD13 LEU 92 HD13 LEU 92 9.585 -10.320 -1.064 673 HD21 LEU 92 HD21 LEU 92 7.538 -13.048 -2.110 674 HD22 LEU 92 HD22 LEU 92 7.616 -12.101 -0.623 675 HD23 LEU 92 HD23 LEU 92 9.103 -12.590 -1.438 676 H GLN 93 H GLN 93 5.539 -10.654 -5.559 677 HA GLN 93 HA GLN 93 7.894 -11.151 -7.018 678 HB2 GLN 93 HB2 GLN 93 4.987 -11.098 -7.845 679 HB3 GLN 93 HB3 GLN 93 6.282 -11.649 -8.900 680 HG2 GLN 93 HG2 GLN 93 6.794 -13.466 -7.450 681 HG3 GLN 93 HG3 GLN 93 5.712 -12.848 -6.201 682 HE21 GLN 93 HE21 GLN 93 3.570 -13.280 -6.310 683 HE22 GLN 93 HE22 GLN 93 2.852 -14.296 -7.511 684 H VAL 94 H VAL 94 5.443 -8.630 -7.268 685 HA VAL 94 HA VAL 94 6.546 -7.335 -9.551 686 HB VAL 94 HB VAL 94 4.652 -6.284 -7.441 687 HG11 VAL 94 HG11 VAL 94 4.169 -4.456 -8.823 688 HG12 VAL 94 HG12 VAL 94 4.985 -5.177 -10.211 689 HG13 VAL 94 HG13 VAL 94 5.928 -4.574 -8.849 690 HG21 VAL 94 HG21 VAL 94 3.124 -7.577 -8.399 691 HG22 VAL 94 HG22 VAL 94 4.311 -8.162 -9.564 692 HG23 VAL 94 HG23 VAL 94 3.372 -6.713 -9.916 693 H LEU 95 H LEU 95 6.839 -6.886 -6.061 694 HA LEU 95 HA LEU 95 8.303 -4.489 -6.032 695 HB2 LEU 95 HB2 LEU 95 8.306 -6.830 -4.123 696 HB3 LEU 95 HB3 LEU 95 9.135 -5.321 -3.798 697 HG LEU 95 HG LEU 95 6.157 -5.543 -4.248 698 HD11 LEU 95 HD11 LEU 95 6.204 -6.554 -2.236 699 HD12 LEU 95 HD12 LEU 95 6.415 -4.905 -1.646 700 HD13 LEU 95 HD13 LEU 95 7.817 -5.955 -1.849 701 HD21 LEU 95 HD21 LEU 95 7.062 -3.294 -2.712 702 HD22 LEU 95 HD22 LEU 95 6.120 -3.328 -4.201 703 HD23 LEU 95 HD23 LEU 95 7.882 -3.337 -4.271 704 H GLN 96 H GLN 96 9.331 -7.857 -6.261 705 HA GLN 96 HA GLN 96 12.107 -7.424 -6.088 706 HB2 GLN 96 HB2 GLN 96 10.966 -9.631 -5.842 707 HB3 GLN 96 HB3 GLN 96 10.676 -9.636 -7.576 708 HG2 GLN 96 HG2 GLN 96 12.578 -11.015 -7.046 709 HG3 GLN 96 HG3 GLN 96 13.097 -9.604 -7.970 710 HE21 GLN 96 HE21 GLN 96 14.962 -8.861 -7.280 711 HE22 GLN 96 HE22 GLN 96 15.495 -8.796 -5.637 712 H GLU 97 H GLU 97 9.892 -7.476 -8.848 713 HA GLU 97 HA GLU 97 11.818 -7.335 -10.889 714 HB2 GLU 97 HB2 GLU 97 9.475 -7.912 -11.316 715 HB3 GLU 97 HB3 GLU 97 8.975 -6.290 -10.855 716 HG2 GLU 97 HG2 GLU 97 10.133 -5.356 -12.761 717 HG3 GLU 97 HG3 GLU 97 10.748 -6.945 -13.197 718 H MET 98 H MET 98 10.020 -4.744 -9.239 719 HA MET 98 HA MET 98 11.317 -2.650 -10.665 720 HB2 MET 98 HB2 MET 98 9.687 -2.645 -8.133 721 HB3 MET 98 HB3 MET 98 10.339 -1.183 -8.861 722 HG2 MET 98 HG2 MET 98 8.368 -3.088 -10.105 723 HG3 MET 98 HG3 MET 98 8.039 -1.463 -9.505 724 HE1 MET 98 HE1 MET 98 9.226 0.553 -10.259 725 HE2 MET 98 HE2 MET 98 9.501 0.912 -11.963 726 HE3 MET 98 HE3 MET 98 10.796 0.219 -10.989 727 H GLY 99 H GLY 99 11.941 -4.214 -7.559 728 HA2 GLY 99 HA2 GLY 99 14.168 -4.339 -6.676 729 HA3 GLY 99 HA3 GLY 99 14.548 -2.841 -7.514 730 H HIS 100 H HIS 100 11.752 -3.535 -5.476 731 HA HIS 100 HA HIS 100 12.161 -1.118 -3.973 732 HB2 HIS 100 HB2 HIS 100 10.104 -3.302 -3.955 733 HB3 HIS 100 HB3 HIS 100 10.144 -2.104 -2.668 734 HD2 HIS 100 HD2 HIS 100 8.687 0.066 -3.194 735 HE1 HIS 100 HE1 HIS 100 8.472 -0.285 -7.386 736 H ARG 101 H ARG 101 14.204 -1.558 -2.985 737 HA ARG 101 HA ARG 101 14.729 -3.725 -1.274 738 HB2 ARG 101 HB2 ARG 101 15.870 -0.935 -1.364 739 HB3 ARG 101 HB3 ARG 101 16.512 -2.212 -0.338 740 HG2 ARG 101 HG2 ARG 101 16.316 -2.392 -3.340 741 HG3 ARG 101 HG3 ARG 101 17.760 -1.884 -2.460 742 HD2 ARG 101 HD2 ARG 101 17.727 -4.064 -1.265 743 HD3 ARG 101 HD3 ARG 101 16.381 -4.561 -2.291 744 HE ARG 101 HE ARG 101 18.497 -3.726 -3.928 745 HH11 ARG 101 HH11 ARG 101 19.836 -5.251 -4.966 746 HH12 ARG 101 HH12 ARG 101 19.925 -6.867 -4.352 747 HH21 ARG 101 HH21 ARG 101 17.686 -6.295 -1.721 748 HH22 ARG 101 HH22 ARG 101 18.698 -7.465 -2.502 749 H ARG 102 H ARG 102 13.400 -0.504 -0.590 750 HA ARG 102 HA ARG 102 13.379 -0.730 2.221 751 HB2 ARG 102 HB2 ARG 102 13.104 1.422 1.069 752 HB3 ARG 102 HB3 ARG 102 11.548 0.893 0.442 753 HG2 ARG 102 HG2 ARG 102 11.165 2.339 2.306 754 HG3 ARG 102 HG3 ARG 102 10.731 0.692 2.776 755 HD2 ARG 102 HD2 ARG 102 11.955 1.756 4.569 756 HD3 ARG 102 HD3 ARG 102 12.921 0.453 3.878 757 HE ARG 102 HE ARG 102 13.553 2.924 2.646 758 HH11 ARG 102 HH11 ARG 102 15.524 3.953 3.151 759 HH12 ARG 102 HH12 ARG 102 16.371 3.514 4.598 760 HH21 ARG 102 HH21 ARG 102 14.009 1.128 5.593 761 HH22 ARG 102 HH22 ARG 102 15.509 1.901 5.991 762 H ALA 103 H ALA 103 11.011 -1.579 -0.239 763 HA ALA 103 HA ALA 103 8.870 -2.234 1.460 764 HB1 ALA 103 HB1 ALA 103 9.485 -3.506 -1.206 765 HB2 ALA 103 HB2 ALA 103 8.710 -1.933 -1.008 766 HB3 ALA 103 HB3 ALA 103 7.915 -3.389 -0.412 767 H ILE 104 H ILE 104 11.602 -4.120 0.262 768 HA ILE 104 HA ILE 104 10.808 -6.642 1.227 769 HB ILE 104 HB ILE 104 13.586 -5.522 0.782 770 HG12 ILE 104 HG12 ILE 104 12.213 -5.600 -1.244 771 HG13 ILE 104 HG13 ILE 104 13.500 -6.798 -1.319 772 HG21 ILE 104 HG21 ILE 104 14.493 -7.410 1.529 773 HG22 ILE 104 HG22 ILE 104 13.390 -8.390 0.561 774 HG23 ILE 104 HG23 ILE 104 12.908 -7.848 2.169 775 HD11 ILE 104 HD11 ILE 104 10.577 -7.156 -1.200 776 HD12 ILE 104 HD12 ILE 104 11.553 -8.320 -0.302 777 HD13 ILE 104 HD13 ILE 104 11.810 -8.104 -2.035 778 H HIS 105 H HIS 105 12.725 -4.050 2.701 779 HA HIS 105 HA HIS 105 13.419 -5.373 5.075 780 HB2 HIS 105 HB2 HIS 105 14.506 -3.310 4.331 781 HB3 HIS 105 HB3 HIS 105 13.009 -2.416 4.567 782 HD2 HIS 105 HD2 HIS 105 12.831 -1.227 6.963 783 HE1 HIS 105 HE1 HIS 105 15.765 -3.456 9.011 784 H LEU 106 H LEU 106 10.645 -3.215 4.393 785 HA LEU 106 HA LEU 106 9.588 -3.608 7.047 786 HB2 LEU 106 HB2 LEU 106 9.171 -1.754 4.936 787 HB3 LEU 106 HB3 LEU 106 7.619 -2.457 5.352 788 HG LEU 106 HG LEU 106 7.919 -1.796 7.692 789 HD11 LEU 106 HD11 LEU 106 10.088 0.027 7.459 790 HD12 LEU 106 HD12 LEU 106 10.638 -1.564 6.933 791 HD13 LEU 106 HD13 LEU 106 9.923 -1.362 8.532 792 HD21 LEU 106 HD21 LEU 106 8.283 0.385 5.649 793 HD22 LEU 106 HD22 LEU 106 7.922 0.693 7.348 794 HD23 LEU 106 HD23 LEU 106 6.777 -0.208 6.352 795 H ILE 107 H ILE 107 9.181 -5.240 4.032 796 HA ILE 107 HA ILE 107 6.574 -6.244 4.381 797 HB ILE 107 HB ILE 107 8.194 -6.372 2.311 798 HG12 ILE 107 HG12 ILE 107 6.840 -8.586 1.686 799 HG13 ILE 107 HG13 ILE 107 5.954 -8.131 3.137 800 HG21 ILE 107 HG21 ILE 107 8.669 -9.052 3.607 801 HG22 ILE 107 HG22 ILE 107 9.880 -7.803 3.312 802 HG23 ILE 107 HG23 ILE 107 9.108 -8.623 1.954 803 HD11 ILE 107 HD11 ILE 107 5.526 -5.922 2.162 804 HD12 ILE 107 HD12 ILE 107 4.884 -7.232 1.171 805 HD13 ILE 107 HD13 ILE 107 6.377 -6.420 0.701 806 H THR 108 H THR 108 9.525 -7.018 5.933 807 HA THR 108 HA THR 108 9.085 -9.670 6.736 808 HB THR 108 HB THR 108 10.521 -7.743 8.526 809 HG1 THR 108 HG1 THR 108 11.556 -7.062 6.782 810 HG21 THR 108 HG21 THR 108 10.333 -10.293 8.855 811 HG22 THR 108 HG22 THR 108 11.931 -9.558 8.982 812 HG23 THR 108 HG23 THR 108 11.466 -10.409 7.508 813 H ASN 109 H ASN 109 7.470 -6.820 7.669 814 HA ASN 109 HA ASN 109 6.846 -7.503 10.364 815 HB2 ASN 109 HB2 ASN 109 5.689 -5.551 8.399 816 HB3 ASN 109 HB3 ASN 109 4.904 -5.833 9.951 817 HD21 ASN 109 HD21 ASN 109 7.450 -4.279 8.308 818 HD22 ASN 109 HD22 ASN 109 8.188 -3.536 9.686 819 H TYR 110 H TYR 110 5.502 -8.453 7.300 820 HA TYR 110 HA TYR 110 2.974 -9.325 8.317 821 HB2 TYR 110 HB2 TYR 110 3.181 -8.825 5.956 822 HB3 TYR 110 HB3 TYR 110 4.461 -10.020 5.774 823 HD1 TYR 110 HD1 TYR 110 0.831 -9.646 6.521 824 HD2 TYR 110 HD2 TYR 110 3.955 -12.261 5.282 825 HE1 TYR 110 HE1 TYR 110 -0.832 -11.365 5.962 826 HE2 TYR 110 HE2 TYR 110 2.294 -13.980 4.712 827 HH TYR 110 HH TYR 110 -0.331 -14.389 5.710 828 H GLY 111 H GLY 111 2.496 -11.151 9.387 829 HA2 GLY 111 HA2 GLY 111 4.027 -13.567 9.005 830 HA3 GLY 111 HA3 GLY 111 4.267 -12.822 10.576 831 H ALA 112 H ALA 112 1.540 -13.641 8.422 832 HA ALA 112 HA ALA 112 0.296 -15.112 10.608 833 HB1 ALA 112 HB1 ALA 112 -1.100 -12.832 9.204 834 HB2 ALA 112 HB2 ALA 112 -0.584 -12.858 10.890 835 HB3 ALA 112 HB3 ALA 112 -1.852 -13.952 10.340 836 H VAL 113 H VAL 113 -1.334 -16.593 9.899 837 HA VAL 113 HA VAL 113 -1.011 -17.320 7.085 838 HB VAL 113 HB VAL 113 -2.356 -18.886 9.299 839 HG11 VAL 113 HG11 VAL 113 -2.016 -20.806 7.747 840 HG12 VAL 113 HG12 VAL 113 -1.516 -19.655 6.508 841 HG13 VAL 113 HG13 VAL 113 -3.156 -19.598 7.157 842 HG21 VAL 113 HG21 VAL 113 -0.385 -19.797 9.898 843 HG22 VAL 113 HG22 VAL 113 0.293 -18.325 9.201 844 HG23 VAL 113 HG23 VAL 113 0.232 -19.805 8.244 845 H LEU 114 H LEU 114 -2.340 -15.950 5.997 846 HA LEU 114 HA LEU 114 -5.224 -16.293 6.444 847 HB2 LEU 114 HB2 LEU 114 -3.833 -13.698 5.752 848 HB3 LEU 114 HB3 LEU 114 -5.570 -13.926 5.814 849 HG LEU 114 HG LEU 114 -3.703 -14.180 8.178 850 HD11 LEU 114 HD11 LEU 114 -5.514 -12.096 8.570 851 HD12 LEU 114 HD12 LEU 114 -4.916 -11.889 6.924 852 HD13 LEU 114 HD13 LEU 114 -3.781 -11.964 8.271 853 HD21 LEU 114 HD21 LEU 114 -5.529 -15.562 8.643 854 HD22 LEU 114 HD22 LEU 114 -6.672 -14.474 7.855 855 HD23 LEU 114 HD23 LEU 114 -5.950 -14.026 9.401 856 H SER 115 H SER 115 -6.519 -15.962 4.477 857 HA SER 115 HA SER 115 -4.916 -16.205 2.018 858 HB2 SER 115 HB2 SER 115 -7.378 -17.825 2.713 859 HB3 SER 115 HB3 SER 115 -6.527 -17.873 1.169 860 HG SER 115 HG SER 115 -4.756 -18.250 3.122 861 HA PRO 116 HA PRO 116 -8.163 -12.826 1.610 862 HB2 PRO 116 HB2 PRO 116 -5.844 -11.346 0.535 863 HB3 PRO 116 HB3 PRO 116 -7.023 -10.851 1.753 864 HG2 PRO 116 HG2 PRO 116 -4.518 -11.444 2.448 865 HG3 PRO 116 HG3 PRO 116 -5.885 -11.912 3.480 866 HD2 PRO 116 HD2 PRO 116 -4.335 -13.587 1.520 867 HD3 PRO 116 HD3 PRO 116 -4.834 -13.980 3.181 868 H SER 117 H SER 117 -9.057 -12.045 -0.349 869 HA SER 117 HA SER 117 -8.747 -13.698 -2.599 870 HB2 SER 117 HB2 SER 117 -9.996 -10.942 -2.401 871 HB3 SER 117 HB3 SER 117 -10.209 -12.060 -3.749 872 HG SER 117 HG SER 117 -11.895 -12.075 -2.084 873 H GLU 118 H GLU 118 -7.709 -13.400 -4.572 874 HA GLU 118 HA GLU 118 -5.821 -11.138 -4.692 875 HB2 GLU 118 HB2 GLU 118 -5.367 -14.030 -5.445 876 HB3 GLU 118 HB3 GLU 118 -4.286 -12.729 -5.921 877 HG2 GLU 118 HG2 GLU 118 -3.732 -12.264 -3.644 878 HG3 GLU 118 HG3 GLU 118 -4.969 -13.380 -3.064 879 H LYS 119 H LYS 119 -5.729 -10.027 -6.573 880 HA LYS 119 HA LYS 119 -7.140 -11.141 -8.906 881 HB2 LYS 119 HB2 LYS 119 -7.178 -8.255 -7.995 882 HB3 LYS 119 HB3 LYS 119 -7.934 -8.875 -9.454 883 HG2 LYS 119 HG2 LYS 119 -8.679 -9.666 -6.643 884 HG3 LYS 119 HG3 LYS 119 -9.541 -8.491 -7.637 885 HD2 LYS 119 HD2 LYS 119 -9.988 -10.255 -9.298 886 HD3 LYS 119 HD3 LYS 119 -9.165 -11.422 -8.259 887 HE2 LYS 119 HE2 LYS 119 -10.810 -10.997 -6.492 888 HE3 LYS 119 HE3 LYS 119 -11.634 -9.843 -7.540 889 HZ1 LYS 119 HZ1 LYS 119 -12.178 -11.596 -9.057 890 HZ2 LYS 119 HZ2 LYS 119 -12.674 -12.064 -7.509 891 HZ3 LYS 119 HZ3 LYS 119 -11.266 -12.720 -8.181 892 H SER 120 H SER 120 -6.011 -11.080 -10.780 893 HA SER 120 HA SER 120 -3.734 -9.245 -10.986 894 HB2 SER 120 HB2 SER 120 -3.622 -12.208 -11.610 895 HB3 SER 120 HB3 SER 120 -2.334 -11.050 -11.938 896 HG SER 120 HG SER 120 -3.053 -10.799 -9.387 897 H TYR 121 H TYR 121 -3.388 -8.425 -13.018 898 HA TYR 121 HA TYR 121 -5.103 -9.470 -15.172 899 HB2 TYR 121 HB2 TYR 121 -4.515 -6.566 -14.555 900 HB3 TYR 121 HB3 TYR 121 -5.339 -7.130 -16.002 901 HD1 TYR 121 HD1 TYR 121 -5.680 -6.280 -12.514 902 HD2 TYR 121 HD2 TYR 121 -7.568 -8.269 -15.768 903 HE1 TYR 121 HE1 TYR 121 -7.828 -6.188 -11.319 904 HE2 TYR 121 HE2 TYR 121 -9.720 -8.179 -14.582 905 HH TYR 121 HH TYR 121 -10.681 -6.488 -12.645 906 H GLN 122 H GLN 122 -2.285 -7.380 -14.527 907 HA GLN 122 HA GLN 122 -0.320 -7.066 -15.613 908 HB2 GLN 122 HB2 GLN 122 -0.897 -9.957 -15.913 909 HB3 GLN 122 HB3 GLN 122 0.356 -9.312 -16.959 910 HG2 GLN 122 HG2 GLN 122 1.426 -10.140 -15.023 911 HG3 GLN 122 HG3 GLN 122 1.460 -8.381 -14.912 912 HE21 GLN 122 HE21 GLN 122 1.248 -7.803 -12.877 913 HE22 GLN 122 HE22 GLN 122 0.142 -8.477 -11.736 914 H GLU 123 H GLU 123 0.494 -8.306 -18.166 915 HA GLU 123 HA GLU 123 -0.500 -6.365 -19.941 916 HB2 GLU 123 HB2 GLU 123 1.028 -8.925 -20.415 917 HB3 GLU 123 HB3 GLU 123 0.624 -7.802 -21.704 918 HG2 GLU 123 HG2 GLU 123 1.942 -6.075 -20.709 919 HG3 GLU 123 HG3 GLU 123 2.208 -7.044 -19.262 920 H GLY 124 H GLY 124 -1.371 -9.748 -19.424 921 HA2 GLY 124 HA2 GLY 124 -3.995 -9.648 -20.049 922 HA3 GLY 124 HA3 GLY 124 -3.239 -9.762 -21.630 Start of MODEL 19 1 H1 SER 1 HT1 SER 1 -20.519 0.809 20.505 2 H2 SER 1 HT2 SER 1 -21.246 2.322 20.288 3 H3 SER 1 HT3 SER 1 -22.193 0.982 20.699 4 HA SER 1 HA SER 1 -21.917 2.333 22.632 5 HB2 SER 1 HB2 SER 1 -20.035 0.346 23.538 6 HB3 SER 1 HB3 SER 1 -21.767 0.460 23.861 7 HG SER 1 HG SER 1 -21.401 -0.354 21.348 8 H GLU 2 H GLU 2 -19.386 2.453 20.554 9 HA GLU 2 HA GLU 2 -17.914 4.263 22.279 10 HB2 GLU 2 HB2 GLU 2 -15.742 3.199 21.837 11 HB3 GLU 2 HB3 GLU 2 -16.813 2.129 22.730 12 HG2 GLU 2 HG2 GLU 2 -17.338 0.943 20.644 13 HG3 GLU 2 HG3 GLU 2 -16.219 1.995 19.779 14 H PHE 3 H PHE 3 -16.308 5.535 21.069 15 HA PHE 3 HA PHE 3 -16.899 5.634 18.187 16 HB2 PHE 3 HB2 PHE 3 -16.564 7.993 20.057 17 HB3 PHE 3 HB3 PHE 3 -16.717 8.107 18.307 18 HD1 PHE 3 HD1 PHE 3 -18.460 7.749 21.446 19 HD2 PHE 3 HD2 PHE 3 -18.854 7.444 17.218 20 HE1 PHE 3 HE1 PHE 3 -20.909 7.842 21.670 21 HE2 PHE 3 HE2 PHE 3 -21.303 7.536 17.435 22 HZ PHE 3 HZ PHE 3 -22.333 7.737 19.665 23 H GLY 4 H GLY 4 -15.189 6.234 16.828 24 HA2 GLY 4 HA2 GLY 4 -12.673 7.138 17.730 25 HA3 GLY 4 HA3 GLY 4 -12.635 5.387 17.572 26 H SER 5 H SER 5 -10.895 6.457 16.011 27 HA SER 5 HA SER 5 -12.149 6.488 13.351 28 HB2 SER 5 HB2 SER 5 -9.833 8.211 14.272 29 HB3 SER 5 HB3 SER 5 -10.431 8.118 12.614 30 HG SER 5 HG SER 5 -12.465 8.616 14.300 31 H MET 6 H MET 6 -10.914 5.561 11.662 32 HA MET 6 HA MET 6 -8.713 3.846 12.605 33 HB2 MET 6 HB2 MET 6 -10.708 3.321 10.392 34 HB3 MET 6 HB3 MET 6 -9.356 2.274 10.797 35 HG2 MET 6 HG2 MET 6 -10.305 1.857 12.989 36 HG3 MET 6 HG3 MET 6 -11.637 2.955 12.639 37 HE1 MET 6 HE1 MET 6 -12.440 0.766 13.788 38 HE2 MET 6 HE2 MET 6 -12.881 -0.708 12.928 39 HE3 MET 6 HE3 MET 6 -13.871 0.740 12.760 40 H ALA 7 H ALA 7 -6.850 3.759 11.436 41 HA ALA 7 HA ALA 7 -5.176 4.456 10.079 42 HB1 ALA 7 HB1 ALA 7 -5.575 4.519 7.756 43 HB2 ALA 7 HB2 ALA 7 -7.256 5.008 7.979 44 HB3 ALA 7 HB3 ALA 7 -6.747 3.375 8.407 45 H GLY 8 H GLY 8 -5.839 6.523 7.861 46 HA2 GLY 8 HA2 GLY 8 -6.046 8.834 7.663 47 HA3 GLY 8 HA3 GLY 8 -6.390 8.924 9.384 48 H ASN 9 H ASN 9 -3.676 7.089 9.061 49 HA ASN 9 HA ASN 9 -1.745 9.213 8.762 50 HB2 ASN 9 HB2 ASN 9 -2.703 9.106 11.236 51 HB3 ASN 9 HB3 ASN 9 -1.570 7.766 11.372 52 HD21 ASN 9 HD21 ASN 9 -1.190 9.880 12.965 53 HD22 ASN 9 HD22 ASN 9 0.178 10.801 12.453 54 H CYS 10 H CYS 10 0.515 8.335 9.058 55 HA CYS 10 HA CYS 10 0.690 5.812 7.684 56 HB2 CYS 10 HB2 CYS 10 3.062 6.247 7.549 57 HB3 CYS 10 HB3 CYS 10 2.196 7.735 7.186 58 HG CYS 10 HG CYS 10 3.254 7.221 10.369 59 H GLY 11 H GLY 11 2.068 4.038 8.410 60 HA2 GLY 11 HA2 GLY 11 1.608 3.498 11.242 61 HA3 GLY 11 HA3 GLY 11 2.044 2.316 10.015 62 H ALA 12 H ALA 12 3.507 1.669 11.832 63 HA ALA 12 HA ALA 12 5.690 3.232 12.648 64 HB1 ALA 12 HB1 ALA 12 6.676 1.157 13.438 65 HB2 ALA 12 HB2 ALA 12 5.524 0.224 12.481 66 HB3 ALA 12 HB3 ALA 12 4.957 1.212 13.830 67 H ARG 13 H ARG 13 5.297 1.011 9.934 68 HA ARG 13 HA ARG 13 6.521 0.593 8.067 69 HB2 ARG 13 HB2 ARG 13 7.519 3.374 8.683 70 HB3 ARG 13 HB3 ARG 13 7.933 2.501 7.215 71 HG2 ARG 13 HG2 ARG 13 5.667 2.485 6.488 72 HG3 ARG 13 HG3 ARG 13 5.104 3.090 8.047 73 HD2 ARG 13 HD2 ARG 13 5.122 4.876 6.398 74 HD3 ARG 13 HD3 ARG 13 6.306 5.187 7.665 75 HE ARG 13 HE ARG 13 7.479 3.852 5.442 76 HH11 ARG 13 HH11 ARG 13 8.901 5.024 4.093 77 HH12 ARG 13 HH12 ARG 13 8.886 6.755 4.137 78 HH21 ARG 13 HH21 ARG 13 6.374 6.956 6.567 79 HH22 ARG 13 HH22 ARG 13 7.446 7.858 5.547 80 H GLY 14 H GLY 14 7.529 -0.511 10.424 81 HA2 GLY 14 HA2 GLY 14 10.329 -0.804 9.659 82 HA3 GLY 14 HA3 GLY 14 10.012 -0.268 11.302 83 H ALA 15 H ALA 15 10.493 -1.946 12.560 84 HA ALA 15 HA ALA 15 10.279 -4.656 11.864 85 HB1 ALA 15 HB1 ALA 15 10.608 -5.098 14.269 86 HB2 ALA 15 HB2 ALA 15 10.381 -3.379 14.595 87 HB3 ALA 15 HB3 ALA 15 11.756 -3.921 13.632 88 H LEU 16 H LEU 16 8.038 -2.505 13.538 89 HA LEU 16 HA LEU 16 6.118 -4.697 13.816 90 HB2 LEU 16 HB2 LEU 16 6.015 -1.882 14.903 91 HB3 LEU 16 HB3 LEU 16 4.841 -3.142 15.228 92 HG LEU 16 HG LEU 16 7.745 -3.208 16.059 93 HD11 LEU 16 HD11 LEU 16 6.913 -2.880 18.312 94 HD12 LEU 16 HD12 LEU 16 5.257 -2.796 17.712 95 HD13 LEU 16 HD13 LEU 16 6.418 -1.539 17.279 96 HD21 LEU 16 HD21 LEU 16 7.104 -5.442 15.784 97 HD22 LEU 16 HD22 LEU 16 5.474 -5.144 16.386 98 HD23 LEU 16 HD23 LEU 16 6.842 -5.122 17.498 99 H SER 17 H SER 17 4.197 -4.759 12.764 100 HA SER 17 HA SER 17 3.814 -2.806 10.602 101 HB2 SER 17 HB2 SER 17 2.132 -4.675 9.880 102 HB3 SER 17 HB3 SER 17 3.865 -4.936 9.666 103 HG SER 17 HG SER 17 2.094 -6.291 11.210 104 H ALA 18 H ALA 18 2.482 -1.186 11.125 105 HA ALA 18 HA ALA 18 0.347 -1.572 13.065 106 HB1 ALA 18 HB1 ALA 18 1.824 0.444 13.101 107 HB2 ALA 18 HB2 ALA 18 0.098 0.803 13.053 108 HB3 ALA 18 HB3 ALA 18 1.068 0.954 11.590 109 H HIS 19 H HIS 19 0.704 -1.876 9.776 110 HA HIS 19 HA HIS 19 -2.084 -1.184 9.201 111 HB2 HIS 19 HB2 HIS 19 0.257 -1.632 7.348 112 HB3 HIS 19 HB3 HIS 19 -1.398 -1.419 6.790 113 HD2 HIS 19 HD2 HIS 19 1.625 0.666 7.317 114 HE1 HIS 19 HE1 HIS 19 -1.587 3.356 7.742 115 H THR 20 H THR 20 -1.033 -3.670 10.566 116 HA THR 20 HA THR 20 -1.307 -5.847 8.764 117 HB THR 20 HB THR 20 -1.667 -5.885 11.767 118 HG1 THR 20 HG1 THR 20 0.380 -5.276 11.663 119 HG21 THR 20 HG21 THR 20 -2.340 -7.904 10.274 120 HG22 THR 20 HG22 THR 20 -1.329 -8.185 11.691 121 HG23 THR 20 HG23 THR 20 -0.600 -8.127 10.087 122 H LEU 21 H LEU 21 -3.091 -6.555 7.823 123 HA LEU 21 HA LEU 21 -5.482 -7.140 9.248 124 HB2 LEU 21 HB2 LEU 21 -5.319 -4.553 8.095 125 HB3 LEU 21 HB3 LEU 21 -6.408 -5.495 7.093 126 HG LEU 21 HG LEU 21 -6.996 -5.844 9.918 127 HD11 LEU 21 HD11 LEU 21 -6.940 -3.055 8.799 128 HD12 LEU 21 HD12 LEU 21 -6.208 -3.650 10.288 129 HD13 LEU 21 HD13 LEU 21 -7.961 -3.527 10.157 130 HD21 LEU 21 HD21 LEU 21 -9.244 -5.015 9.050 131 HD22 LEU 21 HD22 LEU 21 -8.614 -6.503 8.349 132 HD23 LEU 21 HD23 LEU 21 -8.491 -4.987 7.457 133 H LEU 22 H LEU 22 -7.248 -7.822 7.459 134 HA LEU 22 HA LEU 22 -5.876 -9.781 5.849 135 HB2 LEU 22 HB2 LEU 22 -8.592 -9.340 6.808 136 HB3 LEU 22 HB3 LEU 22 -8.545 -9.928 5.157 137 HG LEU 22 HG LEU 22 -7.089 -11.816 5.963 138 HD11 LEU 22 HD11 LEU 22 -6.664 -12.200 8.178 139 HD12 LEU 22 HD12 LEU 22 -8.061 -11.272 8.723 140 HD13 LEU 22 HD13 LEU 22 -6.616 -10.436 8.151 141 HD21 LEU 22 HD21 LEU 22 -9.373 -12.271 5.512 142 HD22 LEU 22 HD22 LEU 22 -9.893 -11.495 7.009 143 HD23 LEU 22 HD23 LEU 22 -9.002 -13.017 7.069 144 H PHE 23 H PHE 23 -8.296 -7.263 5.017 145 HA PHE 23 HA PHE 23 -7.807 -7.537 2.213 146 HB2 PHE 23 HB2 PHE 23 -9.304 -5.474 3.835 147 HB3 PHE 23 HB3 PHE 23 -9.163 -5.381 2.081 148 HD1 PHE 23 HD1 PHE 23 -10.778 -7.025 4.881 149 HD2 PHE 23 HD2 PHE 23 -10.206 -7.101 0.663 150 HE1 PHE 23 HE1 PHE 23 -12.717 -8.522 4.649 151 HE2 PHE 23 HE2 PHE 23 -12.145 -8.596 0.425 152 HZ PHE 23 HZ PHE 23 -13.403 -9.309 2.418 153 H ASP 24 H ASP 24 -6.697 -5.417 4.727 154 HA ASP 24 HA ASP 24 -4.876 -4.102 2.840 155 HB2 ASP 24 HB2 ASP 24 -4.661 -2.336 4.694 156 HB3 ASP 24 HB3 ASP 24 -6.138 -2.339 3.736 157 H LEU 25 H LEU 25 -3.661 -6.112 3.117 158 HA LEU 25 HA LEU 25 -2.500 -7.119 5.383 159 HB2 LEU 25 HB2 LEU 25 -1.312 -6.813 2.628 160 HB3 LEU 25 HB3 LEU 25 -0.602 -7.802 3.889 161 HG LEU 25 HG LEU 25 -3.357 -8.229 2.739 162 HD11 LEU 25 HD11 LEU 25 -2.205 -10.306 1.788 163 HD12 LEU 25 HD12 LEU 25 -0.704 -9.418 2.043 164 HD13 LEU 25 HD13 LEU 25 -1.946 -8.761 0.979 165 HD21 LEU 25 HD21 LEU 25 -1.781 -9.517 4.892 166 HD22 LEU 25 HD22 LEU 25 -2.732 -10.564 3.837 167 HD23 LEU 25 HD23 LEU 25 -3.522 -9.276 4.748 168 HA PRO 26 HA PRO 26 0.458 -4.583 7.470 169 HB2 PRO 26 HB2 PRO 26 2.785 -6.061 6.628 170 HB3 PRO 26 HB3 PRO 26 1.979 -6.078 8.195 171 HG2 PRO 26 HG2 PRO 26 1.719 -7.944 5.930 172 HG3 PRO 26 HG3 PRO 26 1.384 -8.207 7.649 173 HD2 PRO 26 HD2 PRO 26 -0.588 -8.030 5.843 174 HD3 PRO 26 HD3 PRO 26 -0.770 -7.365 7.479 175 HA PRO 27 HA PRO 27 2.329 -1.444 5.067 176 HB2 PRO 27 HB2 PRO 27 4.905 -1.950 6.462 177 HB3 PRO 27 HB3 PRO 27 4.017 -0.437 6.227 178 HG2 PRO 27 HG2 PRO 27 3.968 -1.701 8.558 179 HG3 PRO 27 HG3 PRO 27 2.532 -0.888 7.925 180 HD2 PRO 27 HD2 PRO 27 3.146 -3.797 8.070 181 HD3 PRO 27 HD3 PRO 27 1.588 -2.963 8.195 182 H ALA 28 H ALA 28 3.618 -4.592 4.899 183 HA ALA 28 HA ALA 28 5.846 -4.281 3.264 184 HB1 ALA 28 HB1 ALA 28 3.920 -6.450 3.823 185 HB2 ALA 28 HB2 ALA 28 5.683 -6.455 3.872 186 HB3 ALA 28 HB3 ALA 28 4.844 -6.592 2.328 187 H LEU 29 H LEU 29 2.385 -4.246 2.447 188 HA LEU 29 HA LEU 29 3.172 -3.721 -0.340 189 HB2 LEU 29 HB2 LEU 29 1.354 -5.531 0.584 190 HB3 LEU 29 HB3 LEU 29 0.324 -4.169 0.169 191 HG LEU 29 HG LEU 29 1.149 -4.171 -2.105 192 HD11 LEU 29 HD11 LEU 29 2.579 -6.506 -2.421 193 HD12 LEU 29 HD12 LEU 29 3.233 -5.825 -0.931 194 HD13 LEU 29 HD13 LEU 29 3.244 -4.873 -2.415 195 HD21 LEU 29 HD21 LEU 29 -0.243 -6.370 -0.886 196 HD22 LEU 29 HD22 LEU 29 0.677 -6.924 -2.285 197 HD23 LEU 29 HD23 LEU 29 -0.495 -5.618 -2.462 198 H LEU 30 H LEU 30 0.177 -2.799 1.384 199 HA LEU 30 HA LEU 30 -0.064 -0.363 0.021 200 HB2 LEU 30 HB2 LEU 30 -1.599 -1.834 1.849 201 HB3 LEU 30 HB3 LEU 30 -1.362 -0.270 2.602 202 HG LEU 30 HG LEU 30 -2.606 -0.806 -0.096 203 HD11 LEU 30 HD11 LEU 30 -4.648 -0.188 0.858 204 HD12 LEU 30 HD12 LEU 30 -3.874 0.494 2.290 205 HD13 LEU 30 HD13 LEU 30 -3.904 -1.253 2.053 206 HD21 LEU 30 HD21 LEU 30 -2.940 1.878 0.861 207 HD22 LEU 30 HD22 LEU 30 -2.273 1.315 -0.669 208 HD23 LEU 30 HD23 LEU 30 -1.224 1.493 0.736 209 H GLY 31 H GLY 31 1.151 -0.931 3.348 210 HA2 GLY 31 HA2 GLY 31 1.453 1.770 4.038 211 HA3 GLY 31 HA3 GLY 31 2.342 0.445 4.756 212 H GLU 32 H GLU 32 3.982 -0.434 2.808 213 HA GLU 32 HA GLU 32 5.950 1.620 2.715 214 HB2 GLU 32 HB2 GLU 32 6.400 -0.815 3.012 215 HB3 GLU 32 HB3 GLU 32 5.993 -1.046 1.314 216 HG2 GLU 32 HG2 GLU 32 8.080 0.958 1.983 217 HG3 GLU 32 HG3 GLU 32 8.488 -0.749 2.117 218 H LEU 33 H LEU 33 3.916 0.122 0.204 219 HA LEU 33 HA LEU 33 5.228 1.450 -1.924 220 HB2 LEU 33 HB2 LEU 33 2.494 0.181 -1.828 221 HB3 LEU 33 HB3 LEU 33 3.254 0.805 -3.282 222 HG LEU 33 HG LEU 33 4.359 -1.432 -1.581 223 HD11 LEU 33 HD11 LEU 33 3.733 -2.874 -3.474 224 HD12 LEU 33 HD12 LEU 33 2.913 -1.504 -4.223 225 HD13 LEU 33 HD13 LEU 33 2.336 -2.143 -2.683 226 HD21 LEU 33 HD21 LEU 33 5.828 -1.785 -3.573 227 HD22 LEU 33 HD22 LEU 33 6.154 -0.307 -2.668 228 HD23 LEU 33 HD23 LEU 33 5.264 -0.233 -4.188 229 H CYS 34 H CYS 34 2.367 2.367 0.000 230 HA CYS 34 HA CYS 34 1.824 4.600 -1.724 231 HB2 CYS 34 HB2 CYS 34 0.075 5.205 -0.235 232 HB3 CYS 34 HB3 CYS 34 0.075 3.446 -0.329 233 HG CYS 34 HG CYS 34 1.006 2.967 2.149 234 H ALA 35 H ALA 35 3.666 4.142 1.239 235 HA ALA 35 HA ALA 35 3.976 6.995 1.637 236 HB1 ALA 35 HB1 ALA 35 4.405 4.612 3.203 237 HB2 ALA 35 HB2 ALA 35 4.144 6.276 3.723 238 HB3 ALA 35 HB3 ALA 35 5.769 5.724 3.322 239 H VAL 36 H VAL 36 6.277 4.322 1.029 240 HA VAL 36 HA VAL 36 8.520 6.007 0.726 241 HB VAL 36 HB VAL 36 8.054 3.158 -0.154 242 HG11 VAL 36 HG11 VAL 36 9.933 4.721 -1.311 243 HG12 VAL 36 HG12 VAL 36 10.121 2.987 -1.043 244 HG13 VAL 36 HG13 VAL 36 10.824 4.136 0.096 245 HG21 VAL 36 HG21 VAL 36 9.547 2.664 1.752 246 HG22 VAL 36 HG22 VAL 36 8.058 3.473 2.241 247 HG23 VAL 36 HG23 VAL 36 9.568 4.381 2.151 248 H LEU 37 H LEU 37 6.384 4.541 -1.729 249 HA LEU 37 HA LEU 37 7.930 5.578 -3.902 250 HB2 LEU 37 HB2 LEU 37 5.088 4.579 -3.977 251 HB3 LEU 37 HB3 LEU 37 6.166 4.796 -5.351 252 HG LEU 37 HG LEU 37 6.443 2.755 -3.145 253 HD11 LEU 37 HD11 LEU 37 4.902 1.848 -4.540 254 HD12 LEU 37 HD12 LEU 37 6.384 1.310 -5.330 255 HD13 LEU 37 HD13 LEU 37 5.508 2.705 -5.957 256 HD21 LEU 37 HD21 LEU 37 8.248 3.140 -5.530 257 HD22 LEU 37 HD22 LEU 37 8.429 1.975 -4.217 258 HD23 LEU 37 HD23 LEU 37 8.633 3.695 -3.900 259 H ASP 38 H ASP 38 5.557 6.923 -1.851 260 HA ASP 38 HA ASP 38 4.362 8.811 -3.527 261 HB2 ASP 38 HB2 ASP 38 3.567 8.376 -1.241 262 HB3 ASP 38 HB3 ASP 38 5.050 9.063 -0.584 263 H SER 39 H SER 39 7.437 8.838 -1.841 264 HA SER 39 HA SER 39 8.034 11.565 -2.616 265 HB2 SER 39 HB2 SER 39 10.151 11.221 -1.425 266 HB3 SER 39 HB3 SER 39 8.786 10.714 -0.430 267 HG SER 39 HG SER 39 9.352 8.538 -1.541 268 H CYS 40 H CYS 40 7.912 8.877 -4.364 269 HA CYS 40 HA CYS 40 10.417 8.627 -5.612 270 HB2 CYS 40 HB2 CYS 40 8.686 6.922 -5.816 271 HB3 CYS 40 HB3 CYS 40 7.667 8.040 -6.724 272 HG CYS 40 HG CYS 40 8.735 6.147 -8.474 273 H ASP 41 H ASP 41 11.294 9.477 -7.416 274 HA ASP 41 HA ASP 41 9.900 11.690 -8.740 275 HB2 ASP 41 HB2 ASP 41 11.636 12.408 -6.945 276 HB3 ASP 41 HB3 ASP 41 12.838 11.876 -8.117 277 H GLY 42 H GLY 42 9.979 9.172 -9.737 278 HA2 GLY 42 HA2 GLY 42 10.262 8.440 -11.962 279 HA3 GLY 42 HA3 GLY 42 11.617 9.544 -12.127 280 H ALA 43 H ALA 43 12.420 8.265 -9.338 281 HA ALA 43 HA ALA 43 14.400 6.545 -10.367 282 HB1 ALA 43 HB1 ALA 43 14.917 6.014 -8.062 283 HB2 ALA 43 HB2 ALA 43 13.371 6.676 -7.534 284 HB3 ALA 43 HB3 ALA 43 14.598 7.740 -8.221 285 H LEU 44 H LEU 44 11.298 5.871 -8.814 286 HA LEU 44 HA LEU 44 11.536 3.056 -9.665 287 HB2 LEU 44 HB2 LEU 44 9.604 3.967 -7.556 288 HB3 LEU 44 HB3 LEU 44 10.271 2.370 -7.816 289 HG LEU 44 HG LEU 44 12.480 3.998 -7.202 290 HD11 LEU 44 HD11 LEU 44 11.934 5.074 -5.150 291 HD12 LEU 44 HD12 LEU 44 10.291 4.433 -5.181 292 HD13 LEU 44 HD13 LEU 44 10.788 5.642 -6.365 293 HD21 LEU 44 HD21 LEU 44 11.014 2.180 -5.309 294 HD22 LEU 44 HD22 LEU 44 12.739 2.542 -5.355 295 HD23 LEU 44 HD23 LEU 44 12.002 1.589 -6.646 296 H GLY 45 H GLY 45 9.766 5.979 -9.829 297 HA2 GLY 45 HA2 GLY 45 8.107 6.607 -11.311 298 HA3 GLY 45 HA3 GLY 45 8.054 4.950 -11.896 299 H TRP 46 H TRP 46 6.454 7.298 -10.035 300 HA TRP 46 HA TRP 46 5.083 5.833 -8.120 301 HB2 TRP 46 HB2 TRP 46 3.132 7.483 -8.655 302 HB3 TRP 46 HB3 TRP 46 4.662 8.116 -8.030 303 HD1 TRP 46 HD1 TRP 46 2.557 7.998 -11.240 304 HE1 TRP 46 HE1 TRP 46 3.392 9.835 -12.835 305 HE3 TRP 46 HE3 TRP 46 6.671 9.536 -8.623 306 HZ2 TRP 46 HZ2 TRP 46 5.507 11.698 -12.962 307 HZ3 TRP 46 HZ3 TRP 46 8.042 11.355 -9.548 308 HH2 TRP 46 HH2 TRP 46 7.472 12.413 -11.675 309 H ARG 47 H ARG 47 4.188 6.303 -11.537 310 HA ARG 47 HA ARG 47 2.027 4.390 -11.355 311 HB2 ARG 47 HB2 ARG 47 1.705 4.786 -13.758 312 HB3 ARG 47 HB3 ARG 47 1.711 6.283 -12.851 313 HG2 ARG 47 HG2 ARG 47 4.055 6.652 -13.550 314 HG3 ARG 47 HG3 ARG 47 3.965 5.176 -14.511 315 HD2 ARG 47 HD2 ARG 47 2.145 6.145 -15.826 316 HD3 ARG 47 HD3 ARG 47 2.226 7.617 -14.860 317 HE ARG 47 HE ARG 47 4.759 7.107 -15.954 318 HH11 ARG 47 HH11 ARG 47 5.497 8.284 -17.761 319 HH12 ARG 47 HH12 ARG 47 4.354 9.083 -18.787 320 HH21 ARG 47 HH21 ARG 47 1.560 8.060 -16.944 321 HH22 ARG 47 HH22 ARG 47 2.107 8.957 -18.319 322 H GLY 48 H GLY 48 5.234 3.907 -11.386 323 HA2 GLY 48 HA2 GLY 48 5.783 2.219 -13.538 324 HA3 GLY 48 HA3 GLY 48 6.573 2.135 -11.973 325 H LEU 49 H LEU 49 4.249 1.466 -10.454 326 HA LEU 49 HA LEU 49 4.144 -1.360 -11.043 327 HB2 LEU 49 HB2 LEU 49 2.484 -0.107 -8.907 328 HB3 LEU 49 HB3 LEU 49 3.338 -1.639 -8.902 329 HG LEU 49 HG LEU 49 5.452 0.044 -8.984 330 HD11 LEU 49 HD11 LEU 49 3.912 1.532 -6.995 331 HD12 LEU 49 HD12 LEU 49 3.423 1.834 -8.662 332 HD13 LEU 49 HD13 LEU 49 5.097 2.093 -8.173 333 HD21 LEU 49 HD21 LEU 49 5.218 -1.744 -7.409 334 HD22 LEU 49 HD22 LEU 49 3.913 -0.904 -6.572 335 HD23 LEU 49 HD23 LEU 49 5.553 -0.259 -6.519 336 H ALA 50 H ALA 50 1.821 1.333 -10.865 337 HA ALA 50 HA ALA 50 -0.493 -0.127 -11.508 338 HB1 ALA 50 HB1 ALA 50 0.057 2.760 -12.168 339 HB2 ALA 50 HB2 ALA 50 -0.485 2.173 -10.593 340 HB3 ALA 50 HB3 ALA 50 -1.522 1.991 -12.011 341 H GLU 51 H GLU 51 1.911 1.409 -13.544 342 HA GLU 51 HA GLU 51 0.609 1.307 -15.993 343 HB2 GLU 51 HB2 GLU 51 2.667 2.588 -15.592 344 HB3 GLU 51 HB3 GLU 51 3.574 1.091 -15.421 345 HG2 GLU 51 HG2 GLU 51 3.098 0.532 -17.752 346 HG3 GLU 51 HG3 GLU 51 2.177 2.025 -17.922 347 H ARG 52 H ARG 52 2.713 -1.088 -14.396 348 HA ARG 52 HA ARG 52 2.773 -2.954 -16.511 349 HB2 ARG 52 HB2 ARG 52 3.522 -2.964 -13.665 350 HB3 ARG 52 HB3 ARG 52 3.069 -4.537 -14.305 351 HG2 ARG 52 HG2 ARG 52 5.253 -4.629 -14.834 352 HG3 ARG 52 HG3 ARG 52 4.724 -3.726 -16.255 353 HD2 ARG 52 HD2 ARG 52 5.149 -1.652 -14.730 354 HD3 ARG 52 HD3 ARG 52 6.162 -2.769 -13.820 355 HE ARG 52 HE ARG 52 7.096 -3.141 -16.279 356 HH11 ARG 52 HH11 ARG 52 8.674 -1.906 -17.370 357 HH12 ARG 52 HH12 ARG 52 8.855 -0.226 -16.991 358 HH21 ARG 52 HH21 ARG 52 6.317 -0.206 -14.576 359 HH22 ARG 52 HH22 ARG 52 7.511 0.745 -15.398 360 H LEU 53 H LEU 53 0.544 -2.546 -13.793 361 HA LEU 53 HA LEU 53 -0.906 -4.936 -14.267 362 HB2 LEU 53 HB2 LEU 53 -0.977 -3.578 -12.148 363 HB3 LEU 53 HB3 LEU 53 -1.991 -2.419 -12.989 364 HG LEU 53 HG LEU 53 -2.957 -5.194 -13.134 365 HD11 LEU 53 HD11 LEU 53 -3.811 -5.212 -10.838 366 HD12 LEU 53 HD12 LEU 53 -2.879 -3.757 -10.487 367 HD13 LEU 53 HD13 LEU 53 -2.049 -5.260 -10.889 368 HD21 LEU 53 HD21 LEU 53 -4.650 -3.110 -11.979 369 HD22 LEU 53 HD22 LEU 53 -4.939 -4.181 -13.351 370 HD23 LEU 53 HD23 LEU 53 -3.999 -2.706 -13.569 371 H SER 54 H SER 54 -1.198 -1.650 -15.476 372 HA SER 54 HA SER 54 -2.264 -0.751 -17.261 373 HB2 SER 54 HB2 SER 54 -2.545 -3.639 -18.108 374 HB3 SER 54 HB3 SER 54 -2.923 -2.254 -19.133 375 HG SER 54 HG SER 54 -0.424 -2.201 -17.947 376 H SER 55 H SER 55 -3.831 -0.256 -15.457 377 HA SER 55 HA SER 55 -6.295 -1.632 -15.265 378 HB2 SER 55 HB2 SER 55 -5.631 1.249 -14.607 379 HB3 SER 55 HB3 SER 55 -7.091 0.400 -14.101 380 HG SER 55 HG SER 55 -5.456 -1.168 -13.172 381 H SER 56 H SER 56 -8.385 -0.933 -15.994 382 HA SER 56 HA SER 56 -8.445 -0.269 -18.745 383 HB2 SER 56 HB2 SER 56 -10.692 -0.393 -16.721 384 HB3 SER 56 HB3 SER 56 -10.906 -0.306 -18.468 385 HG SER 56 HG SER 56 -9.231 -2.288 -17.994 386 H TRP 57 H TRP 57 -9.391 1.502 -19.790 387 HA TRP 57 HA TRP 57 -9.841 3.667 -20.250 388 HB2 TRP 57 HB2 TRP 57 -10.413 3.854 -17.287 389 HB3 TRP 57 HB3 TRP 57 -10.739 5.139 -18.444 390 HD1 TRP 57 HD1 TRP 57 -12.277 2.104 -16.944 391 HE1 TRP 57 HE1 TRP 57 -14.517 1.581 -18.098 392 HE3 TRP 57 HE3 TRP 57 -11.878 5.243 -20.963 393 HZ2 TRP 57 HZ2 TRP 57 -15.929 2.390 -20.405 394 HZ3 TRP 57 HZ3 TRP 57 -13.718 5.308 -22.598 395 HH2 TRP 57 HH2 TRP 57 -15.700 3.910 -22.322 396 H LEU 58 H LEU 58 -9.274 6.028 -18.774 397 HA LEU 58 HA LEU 58 -6.353 5.975 -18.965 398 HB2 LEU 58 HB2 LEU 58 -8.425 7.923 -19.604 399 HB3 LEU 58 HB3 LEU 58 -7.122 8.621 -18.662 400 HG LEU 58 HG LEU 58 -5.513 7.699 -20.372 401 HD11 LEU 58 HD11 LEU 58 -6.215 6.777 -22.357 402 HD12 LEU 58 HD12 LEU 58 -7.832 7.467 -22.235 403 HD13 LEU 58 HD13 LEU 58 -7.381 6.091 -21.227 404 HD21 LEU 58 HD21 LEU 58 -6.140 10.042 -20.351 405 HD22 LEU 58 HD22 LEU 58 -7.584 9.686 -21.299 406 HD23 LEU 58 HD23 LEU 58 -5.986 9.467 -22.011 407 H ASP 59 H ASP 59 -6.387 4.880 -16.826 408 HA ASP 59 HA ASP 59 -7.159 6.311 -14.489 409 HB2 ASP 59 HB2 ASP 59 -5.949 4.581 -13.248 410 HB3 ASP 59 HB3 ASP 59 -6.964 3.862 -14.494 411 H VAL 60 H VAL 60 -4.430 6.489 -16.541 412 HA VAL 60 HA VAL 60 -2.431 7.278 -14.747 413 HB VAL 60 HB VAL 60 -1.369 8.394 -16.721 414 HG11 VAL 60 HG11 VAL 60 -0.556 6.285 -16.591 415 HG12 VAL 60 HG12 VAL 60 -1.487 6.072 -18.075 416 HG13 VAL 60 HG13 VAL 60 -2.161 5.556 -16.529 417 HG21 VAL 60 HG21 VAL 60 -3.614 8.913 -17.809 418 HG22 VAL 60 HG22 VAL 60 -3.621 7.230 -18.340 419 HG23 VAL 60 HG23 VAL 60 -2.335 8.316 -18.866 420 H ASP 61 H ASP 61 -5.058 9.105 -16.172 421 HA ASP 61 HA ASP 61 -4.069 11.697 -15.646 422 HB2 ASP 61 HB2 ASP 61 -6.871 10.620 -15.939 423 HB3 ASP 61 HB3 ASP 61 -6.548 12.326 -15.656 424 H HIS 62 H HIS 62 -5.974 9.436 -13.735 425 HA HIS 62 HA HIS 62 -6.297 11.187 -11.508 426 HB2 HIS 62 HB2 HIS 62 -7.674 9.055 -12.244 427 HB3 HIS 62 HB3 HIS 62 -6.514 8.222 -11.214 428 HD2 HIS 62 HD2 HIS 62 -7.365 8.049 -8.684 429 HE1 HIS 62 HE1 HIS 62 -9.915 11.402 -8.609 430 H ILE 63 H ILE 63 -3.863 8.932 -12.547 431 HA ILE 63 HA ILE 63 -2.589 8.396 -10.111 432 HB ILE 63 HB ILE 63 -1.464 8.563 -12.909 433 HG12 ILE 63 HG12 ILE 63 -1.946 6.174 -11.114 434 HG13 ILE 63 HG13 ILE 63 -3.082 6.731 -12.342 435 HG21 ILE 63 HG21 ILE 63 0.195 7.048 -11.123 436 HG22 ILE 63 HG22 ILE 63 0.026 8.704 -10.537 437 HG23 ILE 63 HG23 ILE 63 0.623 8.402 -12.169 438 HD11 ILE 63 HD11 ILE 63 -2.057 5.351 -13.735 439 HD12 ILE 63 HD12 ILE 63 -0.717 5.098 -12.613 440 HD13 ILE 63 HD13 ILE 63 -0.699 6.477 -13.712 441 H GLU 64 H GLU 64 -2.159 11.043 -12.419 442 HA GLU 64 HA GLU 64 -0.086 12.352 -10.999 443 HB2 GLU 64 HB2 GLU 64 -2.062 13.331 -13.063 444 HB3 GLU 64 HB3 GLU 64 -0.782 14.342 -12.405 445 HG2 GLU 64 HG2 GLU 64 0.906 12.894 -13.305 446 HG3 GLU 64 HG3 GLU 64 -0.311 11.727 -13.819 447 H LYS 65 H LYS 65 -3.586 12.533 -10.873 448 HA LYS 65 HA LYS 65 -3.865 14.914 -9.418 449 HB2 LYS 65 HB2 LYS 65 -5.630 12.490 -9.675 450 HB3 LYS 65 HB3 LYS 65 -6.121 13.946 -8.820 451 HG2 LYS 65 HG2 LYS 65 -5.873 15.249 -10.862 452 HG3 LYS 65 HG3 LYS 65 -5.329 13.807 -11.726 453 HD2 LYS 65 HD2 LYS 65 -7.490 12.742 -11.312 454 HD3 LYS 65 HD3 LYS 65 -8.032 14.166 -10.432 455 HE2 LYS 65 HE2 LYS 65 -7.785 15.515 -12.460 456 HE3 LYS 65 HE3 LYS 65 -7.232 14.089 -13.338 457 HZ1 LYS 65 HZ1 LYS 65 -9.503 13.140 -12.488 458 HZ2 LYS 65 HZ2 LYS 65 -9.430 14.093 -13.883 459 HZ3 LYS 65 HZ3 LYS 65 -9.926 14.777 -12.418 460 H GLU 66 H GLU 66 -3.805 11.531 -8.130 461 HA GLU 66 HA GLU 66 -3.887 12.669 -5.450 462 HB2 GLU 66 HB2 GLU 66 -3.626 9.712 -5.848 463 HB3 GLU 66 HB3 GLU 66 -4.421 10.612 -4.572 464 HG2 GLU 66 HG2 GLU 66 -6.118 11.340 -6.303 465 HG3 GLU 66 HG3 GLU 66 -5.418 10.109 -7.354 466 H VAL 67 H VAL 67 -1.395 12.047 -7.556 467 HA VAL 67 HA VAL 67 0.484 10.719 -5.980 468 HB VAL 67 HB VAL 67 0.719 11.379 -8.434 469 HG11 VAL 67 HG11 VAL 67 0.401 13.714 -8.429 470 HG12 VAL 67 HG12 VAL 67 2.114 13.463 -8.768 471 HG13 VAL 67 HG13 VAL 67 1.598 13.953 -7.155 472 HG21 VAL 67 HG21 VAL 67 3.286 11.731 -8.091 473 HG22 VAL 67 HG22 VAL 67 2.521 10.214 -7.624 474 HG23 VAL 67 HG23 VAL 67 2.896 11.425 -6.399 475 H ASP 68 H ASP 68 -0.528 14.078 -5.909 476 HA ASP 68 HA ASP 68 1.480 14.762 -3.915 477 HB2 ASP 68 HB2 ASP 68 -0.689 16.372 -5.268 478 HB3 ASP 68 HB3 ASP 68 0.298 17.016 -3.960 479 H GLN 69 H GLN 69 -1.409 13.210 -3.883 480 HA GLN 69 HA GLN 69 -2.265 14.308 -1.291 481 HB2 GLN 69 HB2 GLN 69 -3.792 12.586 -3.252 482 HB3 GLN 69 HB3 GLN 69 -4.421 13.198 -1.729 483 HG2 GLN 69 HG2 GLN 69 -3.547 14.870 -4.073 484 HG3 GLN 69 HG3 GLN 69 -5.211 14.512 -3.618 485 HE21 GLN 69 HE21 GLN 69 -3.012 16.861 -3.561 486 HE22 GLN 69 HE22 GLN 69 -3.491 17.715 -2.140 487 H GLY 70 H GLY 70 -0.070 12.266 -1.848 488 HA2 GLY 70 HA2 GLY 70 0.605 10.709 -0.139 489 HA3 GLY 70 HA3 GLY 70 -1.083 10.294 0.093 490 H LYS 71 H LYS 71 0.025 10.545 -3.151 491 HA LYS 71 HA LYS 71 0.971 9.032 -4.628 492 HB2 LYS 71 HB2 LYS 71 1.983 7.592 -2.994 493 HB3 LYS 71 HB3 LYS 71 0.414 6.960 -2.508 494 HG2 LYS 71 HG2 LYS 71 1.640 5.345 -3.861 495 HG3 LYS 71 HG3 LYS 71 0.159 5.866 -4.668 496 HD2 LYS 71 HD2 LYS 71 1.924 5.772 -6.306 497 HD3 LYS 71 HD3 LYS 71 1.530 7.466 -6.005 498 HE2 LYS 71 HE2 LYS 71 3.508 6.776 -4.160 499 HE3 LYS 71 HE3 LYS 71 4.016 6.092 -5.697 500 HZ1 LYS 71 HZ1 LYS 71 3.378 8.929 -5.115 501 HZ2 LYS 71 HZ2 LYS 71 3.594 8.329 -6.681 502 HZ3 LYS 71 HZ3 LYS 71 4.874 8.279 -5.572 503 H SER 72 H SER 72 0.043 8.115 -6.335 504 HA SER 72 HA SER 72 -2.743 7.219 -6.140 505 HB2 SER 72 HB2 SER 72 -2.330 9.601 -7.099 506 HB3 SER 72 HB3 SER 72 -1.750 8.743 -8.518 507 HG SER 72 HG SER 72 -3.950 9.135 -8.758 508 H GLY 73 H GLY 73 0.404 7.021 -7.685 509 HA2 GLY 73 HA2 GLY 73 -0.210 5.278 -9.777 510 HA3 GLY 73 HA3 GLY 73 1.350 5.365 -8.955 511 H THR 74 H THR 74 0.990 4.415 -6.527 512 HA THR 74 HA THR 74 0.215 1.678 -7.018 513 HB THR 74 HB THR 74 1.162 2.280 -4.319 514 HG1 THR 74 HG1 THR 74 3.067 3.160 -4.826 515 HG21 THR 74 HG21 THR 74 1.703 0.344 -6.516 516 HG22 THR 74 HG22 THR 74 1.293 0.047 -4.826 517 HG23 THR 74 HG23 THR 74 2.926 0.553 -5.264 518 H ARG 75 H ARG 75 -0.581 4.330 -4.842 519 HA ARG 75 HA ARG 75 -2.284 2.964 -3.098 520 HB2 ARG 75 HB2 ARG 75 -1.316 5.240 -2.715 521 HB3 ARG 75 HB3 ARG 75 -2.460 5.874 -3.884 522 HG2 ARG 75 HG2 ARG 75 -4.314 5.170 -2.502 523 HG3 ARG 75 HG3 ARG 75 -3.202 4.474 -1.328 524 HD2 ARG 75 HD2 ARG 75 -2.249 6.700 -0.938 525 HD3 ARG 75 HD3 ARG 75 -3.388 7.383 -2.096 526 HE ARG 75 HE ARG 75 -4.829 5.991 -0.137 527 HH11 ARG 75 HH11 ARG 75 -5.886 7.113 1.543 528 HH12 ARG 75 HH12 ARG 75 -5.381 8.720 1.945 529 HH21 ARG 75 HH21 ARG 75 -2.863 8.838 -0.485 530 HH22 ARG 75 HH22 ARG 75 -3.658 9.709 0.785 531 H GLU 76 H GLU 76 -3.095 4.833 -6.040 532 HA GLU 76 HA GLU 76 -5.886 4.509 -5.822 533 HB2 GLU 76 HB2 GLU 76 -4.890 6.185 -7.300 534 HB3 GLU 76 HB3 GLU 76 -4.190 4.918 -8.303 535 HG2 GLU 76 HG2 GLU 76 -6.531 4.142 -8.775 536 HG3 GLU 76 HG3 GLU 76 -7.100 5.578 -7.929 537 H LEU 77 H LEU 77 -3.400 2.581 -7.412 538 HA LEU 77 HA LEU 77 -5.079 0.775 -8.750 539 HB2 LEU 77 HB2 LEU 77 -2.673 1.019 -9.194 540 HB3 LEU 77 HB3 LEU 77 -2.310 0.351 -7.615 541 HG LEU 77 HG LEU 77 -3.333 -1.798 -8.325 542 HD11 LEU 77 HD11 LEU 77 -3.320 -1.665 -11.072 543 HD12 LEU 77 HD12 LEU 77 -4.106 -0.160 -10.595 544 HD13 LEU 77 HD13 LEU 77 -4.748 -1.706 -10.038 545 HD21 LEU 77 HD21 LEU 77 -1.491 -1.858 -10.397 546 HD22 LEU 77 HD22 LEU 77 -1.182 -2.228 -8.701 547 HD23 LEU 77 HD23 LEU 77 -0.892 -0.601 -9.316 548 H LEU 78 H LEU 78 -3.579 0.603 -5.530 549 HA LEU 78 HA LEU 78 -4.735 -1.918 -4.864 550 HB2 LEU 78 HB2 LEU 78 -3.567 0.225 -3.070 551 HB3 LEU 78 HB3 LEU 78 -3.936 -1.417 -2.570 552 HG LEU 78 HG LEU 78 -1.871 -0.629 -4.634 553 HD11 LEU 78 HD11 LEU 78 -1.481 -1.775 -1.877 554 HD12 LEU 78 HD12 LEU 78 -1.306 -0.068 -2.282 555 HD13 LEU 78 HD13 LEU 78 -0.231 -1.262 -3.011 556 HD21 LEU 78 HD21 LEU 78 -3.193 -3.132 -4.099 557 HD22 LEU 78 HD22 LEU 78 -1.466 -3.254 -3.764 558 HD23 LEU 78 HD23 LEU 78 -2.020 -2.727 -5.352 559 H TRP 79 H TRP 79 -5.628 1.431 -4.278 560 HA TRP 79 HA TRP 79 -7.821 0.870 -2.529 561 HB2 TRP 79 HB2 TRP 79 -6.378 3.031 -2.791 562 HB3 TRP 79 HB3 TRP 79 -7.536 3.437 -4.050 563 HD1 TRP 79 HD1 TRP 79 -9.808 4.440 -3.299 564 HE1 TRP 79 HE1 TRP 79 -10.867 4.993 -1.018 565 HE3 TRP 79 HE3 TRP 79 -6.438 2.103 -0.245 566 HZ2 TRP 79 HZ2 TRP 79 -10.342 4.509 1.712 567 HZ3 TRP 79 HZ3 TRP 79 -6.785 2.199 2.189 568 HH2 TRP 79 HH2 TRP 79 -8.699 3.378 3.146 569 H SER 80 H SER 80 -7.558 0.431 -5.833 570 HA SER 80 HA SER 80 -9.920 1.503 -6.864 571 HB2 SER 80 HB2 SER 80 -8.368 -0.949 -7.694 572 HB3 SER 80 HB3 SER 80 -9.717 -0.291 -8.618 573 HG SER 80 HG SER 80 -7.549 1.354 -7.870 574 H TRP 81 H TRP 81 -9.430 -1.643 -5.253 575 HA TRP 81 HA TRP 81 -12.225 -2.318 -5.688 576 HB2 TRP 81 HB2 TRP 81 -9.961 -3.759 -4.306 577 HB3 TRP 81 HB3 TRP 81 -11.614 -4.367 -4.313 578 HD1 TRP 81 HD1 TRP 81 -8.505 -4.180 -6.429 579 HE1 TRP 81 HE1 TRP 81 -8.901 -5.422 -8.649 580 HE3 TRP 81 HE3 TRP 81 -13.558 -4.882 -6.079 581 HZ2 TRP 81 HZ2 TRP 81 -11.070 -6.550 -10.064 582 HZ3 TRP 81 HZ3 TRP 81 -14.717 -6.052 -7.907 583 HH2 TRP 81 HH2 TRP 81 -13.497 -6.867 -9.859 584 H ALA 82 H ALA 82 -10.612 -2.954 -2.642 585 HA ALA 82 HA ALA 82 -12.678 -1.366 -1.268 586 HB1 ALA 82 HB1 ALA 82 -12.999 -3.439 -0.366 587 HB2 ALA 82 HB2 ALA 82 -11.734 -2.868 0.724 588 HB3 ALA 82 HB3 ALA 82 -11.325 -3.932 -0.622 589 H GLN 83 H GLN 83 -9.680 -2.571 0.078 590 HA GLN 83 HA GLN 83 -8.758 0.201 0.442 591 HB2 GLN 83 HB2 GLN 83 -8.200 -2.256 2.131 592 HB3 GLN 83 HB3 GLN 83 -7.436 -0.687 2.372 593 HG2 GLN 83 HG2 GLN 83 -9.662 0.298 2.773 594 HG3 GLN 83 HG3 GLN 83 -10.372 -1.309 2.627 595 HE21 GLN 83 HE21 GLN 83 -10.946 -1.974 4.570 596 HE22 GLN 83 HE22 GLN 83 -9.995 -1.853 6.006 597 H LYS 84 H LYS 84 -7.542 -3.133 0.140 598 HA LYS 84 HA LYS 84 -5.627 -2.150 -1.846 599 HB2 LYS 84 HB2 LYS 84 -4.218 -2.440 0.029 600 HB3 LYS 84 HB3 LYS 84 -5.041 -3.909 0.532 601 HG2 LYS 84 HG2 LYS 84 -4.035 -5.174 -1.180 602 HG3 LYS 84 HG3 LYS 84 -3.483 -3.734 -2.026 603 HD2 LYS 84 HD2 LYS 84 -1.625 -4.794 -0.902 604 HD3 LYS 84 HD3 LYS 84 -1.970 -3.240 -0.148 605 HE2 LYS 84 HE2 LYS 84 -1.500 -5.129 1.439 606 HE3 LYS 84 HE3 LYS 84 -3.024 -4.276 1.706 607 HZ1 LYS 84 HZ1 LYS 84 -2.852 -6.909 1.608 608 HZ2 LYS 84 HZ2 LYS 84 -3.112 -6.617 -0.038 609 HZ3 LYS 84 HZ3 LYS 84 -4.239 -6.074 1.107 610 H ASN 85 H ASN 85 -7.256 -4.950 -0.433 611 HA ASN 85 HA ASN 85 -7.978 -6.941 -1.261 612 HB2 ASN 85 HB2 ASN 85 -9.454 -5.139 -2.389 613 HB3 ASN 85 HB3 ASN 85 -8.551 -5.528 -3.851 614 HD21 ASN 85 HD21 ASN 85 -10.077 -6.547 -5.022 615 HD22 ASN 85 HD22 ASN 85 -10.890 -7.989 -4.527 616 H LYS 86 H LYS 86 -5.197 -6.561 -1.582 617 HA LYS 86 HA LYS 86 -4.714 -8.331 -3.862 618 HB2 LYS 86 HB2 LYS 86 -3.787 -5.592 -3.611 619 HB3 LYS 86 HB3 LYS 86 -2.430 -6.704 -3.688 620 HG2 LYS 86 HG2 LYS 86 -2.802 -6.118 -5.902 621 HG3 LYS 86 HG3 LYS 86 -3.603 -7.685 -5.749 622 HD2 LYS 86 HD2 LYS 86 -5.695 -6.215 -5.176 623 HD3 LYS 86 HD3 LYS 86 -4.788 -4.956 -6.018 624 HE2 LYS 86 HE2 LYS 86 -5.541 -7.656 -7.133 625 HE3 LYS 86 HE3 LYS 86 -6.299 -6.117 -7.540 626 HZ1 LYS 86 HZ1 LYS 86 -3.409 -6.579 -7.950 627 HZ2 LYS 86 HZ2 LYS 86 -4.393 -5.394 -8.649 628 HZ3 LYS 86 HZ3 LYS 86 -4.549 -7.011 -9.123 629 H THR 87 H THR 87 -2.444 -9.307 -3.671 630 HA THR 87 HA THR 87 -1.819 -9.648 -0.817 631 HB THR 87 HB THR 87 -1.068 -11.918 -1.276 632 HG1 THR 87 HG1 THR 87 -2.161 -12.261 -3.727 633 HG21 THR 87 HG21 THR 87 -3.255 -12.947 -1.814 634 HG22 THR 87 HG22 THR 87 -3.851 -11.362 -2.309 635 HG23 THR 87 HG23 THR 87 -3.389 -11.644 -0.633 636 H ILE 88 H ILE 88 0.401 -10.136 -0.314 637 HA ILE 88 HA ILE 88 2.193 -8.326 -1.459 638 HB ILE 88 HB ILE 88 2.300 -10.407 0.619 639 HG12 ILE 88 HG12 ILE 88 3.569 -8.529 1.759 640 HG13 ILE 88 HG13 ILE 88 3.303 -7.575 0.305 641 HG21 ILE 88 HG21 ILE 88 4.783 -9.624 -0.880 642 HG22 ILE 88 HG22 ILE 88 4.205 -11.242 -0.479 643 HG23 ILE 88 HG23 ILE 88 4.818 -10.185 0.794 644 HD11 ILE 88 HD11 ILE 88 1.689 -7.040 2.029 645 HD12 ILE 88 HD12 ILE 88 1.174 -8.723 2.090 646 HD13 ILE 88 HD13 ILE 88 0.893 -7.769 0.634 647 H GLY 89 H GLY 89 1.776 -11.800 -2.027 648 HA2 GLY 89 HA2 GLY 89 4.073 -12.194 -3.609 649 HA3 GLY 89 HA3 GLY 89 2.620 -13.182 -3.656 650 H ASP 90 H ASP 90 0.796 -11.186 -4.499 651 HA ASP 90 HA ASP 90 1.142 -11.325 -7.298 652 HB2 ASP 90 HB2 ASP 90 -0.769 -9.755 -5.575 653 HB3 ASP 90 HB3 ASP 90 -0.810 -9.683 -7.333 654 H LEU 91 H LEU 91 1.660 -8.671 -5.006 655 HA LEU 91 HA LEU 91 2.358 -6.820 -7.117 656 HB2 LEU 91 HB2 LEU 91 1.638 -6.609 -4.386 657 HB3 LEU 91 HB3 LEU 91 3.235 -5.910 -4.551 658 HG LEU 91 HG LEU 91 1.691 -4.122 -4.784 659 HD11 LEU 91 HD11 LEU 91 3.497 -4.734 -6.755 660 HD12 LEU 91 HD12 LEU 91 2.652 -3.196 -6.569 661 HD13 LEU 91 HD13 LEU 91 2.017 -4.423 -7.665 662 HD21 LEU 91 HD21 LEU 91 0.024 -4.396 -6.838 663 HD22 LEU 91 HD22 LEU 91 -0.400 -4.907 -5.205 664 HD23 LEU 91 HD23 LEU 91 0.157 -6.096 -6.383 665 H LEU 92 H LEU 92 4.005 -9.061 -5.072 666 HA LEU 92 HA LEU 92 6.583 -7.976 -5.030 667 HB2 LEU 92 HB2 LEU 92 5.889 -9.875 -3.649 668 HB3 LEU 92 HB3 LEU 92 5.735 -10.873 -5.082 669 HG LEU 92 HG LEU 92 8.170 -10.671 -5.464 670 HD11 LEU 92 HD11 LEU 92 7.923 -8.822 -3.177 671 HD12 LEU 92 HD12 LEU 92 9.050 -8.811 -4.534 672 HD13 LEU 92 HD13 LEU 92 9.321 -9.897 -3.171 673 HD21 LEU 92 HD21 LEU 92 7.283 -12.583 -4.248 674 HD22 LEU 92 HD22 LEU 92 7.386 -11.685 -2.735 675 HD23 LEU 92 HD23 LEU 92 8.856 -12.114 -3.607 676 H GLN 93 H GLN 93 5.006 -10.056 -7.415 677 HA GLN 93 HA GLN 93 7.234 -10.497 -9.076 678 HB2 GLN 93 HB2 GLN 93 4.267 -10.427 -9.662 679 HB3 GLN 93 HB3 GLN 93 5.472 -10.933 -10.841 680 HG2 GLN 93 HG2 GLN 93 6.112 -12.796 -9.499 681 HG3 GLN 93 HG3 GLN 93 5.128 -12.232 -8.149 682 HE21 GLN 93 HE21 GLN 93 2.999 -12.702 -8.091 683 HE22 GLN 93 HE22 GLN 93 2.189 -13.672 -9.271 684 H VAL 94 H VAL 94 4.777 -7.959 -9.044 685 HA VAL 94 HA VAL 94 5.645 -6.591 -11.368 686 HB VAL 94 HB VAL 94 4.079 -5.615 -8.971 687 HG11 VAL 94 HG11 VAL 94 4.940 -4.210 -11.451 688 HG12 VAL 94 HG12 VAL 94 4.779 -3.600 -9.803 689 HG13 VAL 94 HG13 VAL 94 3.340 -3.862 -10.790 690 HG21 VAL 94 HG21 VAL 94 3.314 -7.405 -10.861 691 HG22 VAL 94 HG22 VAL 94 2.776 -5.892 -11.587 692 HG23 VAL 94 HG23 VAL 94 2.211 -6.349 -9.980 693 H LEU 95 H LEU 95 6.377 -6.265 -7.934 694 HA LEU 95 HA LEU 95 7.957 -3.945 -8.032 695 HB2 LEU 95 HB2 LEU 95 8.022 -6.316 -6.162 696 HB3 LEU 95 HB3 LEU 95 8.939 -4.848 -5.896 697 HG LEU 95 HG LEU 95 5.928 -4.933 -6.088 698 HD11 LEU 95 HD11 LEU 95 7.767 -5.452 -3.841 699 HD12 LEU 95 HD12 LEU 95 6.105 -5.984 -4.101 700 HD13 LEU 95 HD13 LEU 95 6.427 -4.355 -3.509 701 HD21 LEU 95 HD21 LEU 95 5.921 -2.709 -5.544 702 HD22 LEU 95 HD22 LEU 95 7.379 -2.792 -6.528 703 HD23 LEU 95 HD23 LEU 95 7.503 -2.776 -4.771 704 H GLN 96 H GLN 96 8.783 -7.361 -8.387 705 HA GLN 96 HA GLN 96 11.585 -7.043 -8.502 706 HB2 GLN 96 HB2 GLN 96 9.755 -9.197 -9.560 707 HB3 GLN 96 HB3 GLN 96 11.509 -9.296 -9.663 708 HG2 GLN 96 HG2 GLN 96 11.718 -9.312 -7.285 709 HG3 GLN 96 HG3 GLN 96 9.999 -8.967 -7.082 710 HE21 GLN 96 HE21 GLN 96 11.601 -11.198 -6.082 711 HE22 GLN 96 HE22 GLN 96 10.843 -12.631 -6.678 712 H GLU 97 H GLU 97 9.092 -7.005 -11.014 713 HA GLU 97 HA GLU 97 10.800 -7.031 -13.244 714 HB2 GLU 97 HB2 GLU 97 8.386 -7.438 -13.409 715 HB3 GLU 97 HB3 GLU 97 8.059 -5.770 -12.950 716 HG2 GLU 97 HG2 GLU 97 7.784 -5.999 -15.314 717 HG3 GLU 97 HG3 GLU 97 9.213 -5.019 -15.002 718 H MET 98 H MET 98 9.357 -4.270 -11.502 719 HA MET 98 HA MET 98 10.700 -2.335 -13.114 720 HB2 MET 98 HB2 MET 98 8.562 -1.913 -11.880 721 HB3 MET 98 HB3 MET 98 9.491 -1.897 -10.386 722 HG2 MET 98 HG2 MET 98 9.088 0.360 -11.133 723 HG3 MET 98 HG3 MET 98 10.808 -0.012 -11.236 724 HE1 MET 98 HE1 MET 98 10.113 2.427 -12.474 725 HE2 MET 98 HE2 MET 98 10.357 2.416 -14.221 726 HE3 MET 98 HE3 MET 98 11.618 1.804 -13.151 727 H GLY 99 H GLY 99 11.365 -3.790 -9.957 728 HA2 GLY 99 HA2 GLY 99 13.661 -4.119 -9.285 729 HA3 GLY 99 HA3 GLY 99 14.076 -2.642 -10.141 730 H HIS 100 H HIS 100 11.404 -3.151 -7.862 731 HA HIS 100 HA HIS 100 12.167 -0.801 -6.377 732 HB2 HIS 100 HB2 HIS 100 9.977 -2.844 -5.993 733 HB3 HIS 100 HB3 HIS 100 10.222 -1.489 -4.899 734 HD2 HIS 100 HD2 HIS 100 9.208 0.895 -5.729 735 HE1 HIS 100 HE1 HIS 100 7.784 -0.379 -9.479 736 H ARG 101 H ARG 101 14.211 -1.328 -5.530 737 HA ARG 101 HA ARG 101 14.832 -3.636 -4.064 738 HB2 ARG 101 HB2 ARG 101 16.015 -0.869 -4.061 739 HB3 ARG 101 HB3 ARG 101 16.706 -2.200 -3.143 740 HG2 ARG 101 HG2 ARG 101 16.881 -3.471 -5.303 741 HG3 ARG 101 HG3 ARG 101 16.425 -1.980 -6.131 742 HD2 ARG 101 HD2 ARG 101 18.796 -2.279 -4.287 743 HD3 ARG 101 HD3 ARG 101 18.876 -2.350 -6.047 744 HE ARG 101 HE ARG 101 18.494 0.013 -4.403 745 HH11 ARG 101 HH11 ARG 101 18.663 2.022 -5.463 746 HH12 ARG 101 HH12 ARG 101 18.675 2.079 -7.194 747 HH21 ARG 101 HH21 ARG 101 18.394 -1.386 -7.595 748 HH22 ARG 101 HH22 ARG 101 18.523 0.137 -8.410 749 H ARG 102 H ARG 102 13.676 -0.461 -2.927 750 HA ARG 102 HA ARG 102 13.923 -1.007 -0.172 751 HB2 ARG 102 HB2 ARG 102 13.618 1.272 -1.046 752 HB3 ARG 102 HB3 ARG 102 11.981 0.861 -1.546 753 HG2 ARG 102 HG2 ARG 102 11.819 2.069 0.492 754 HG3 ARG 102 HG3 ARG 102 11.457 0.376 0.852 755 HD2 ARG 102 HD2 ARG 102 12.897 1.271 2.569 756 HD3 ARG 102 HD3 ARG 102 13.784 0.078 1.619 757 HE ARG 102 HE ARG 102 14.209 2.681 0.590 758 HH11 ARG 102 HH11 ARG 102 16.211 3.713 0.944 759 HH12 ARG 102 HH12 ARG 102 17.247 3.155 2.213 760 HH21 ARG 102 HH21 ARG 102 15.078 0.607 3.247 761 HH22 ARG 102 HH22 ARG 102 16.602 1.382 3.527 762 H ALA 103 H ALA 103 11.292 -1.490 -2.448 763 HA ALA 103 HA ALA 103 9.297 -2.272 -0.631 764 HB1 ALA 103 HB1 ALA 103 9.646 -3.158 -3.497 765 HB2 ALA 103 HB2 ALA 103 8.848 -1.674 -2.971 766 HB3 ALA 103 HB3 ALA 103 8.162 -3.243 -2.546 767 H ILE 104 H ILE 104 11.845 -4.081 -2.267 768 HA ILE 104 HA ILE 104 11.034 -6.680 -1.581 769 HB ILE 104 HB ILE 104 13.808 -5.576 -2.075 770 HG12 ILE 104 HG12 ILE 104 12.298 -5.394 -3.993 771 HG13 ILE 104 HG13 ILE 104 13.545 -6.598 -4.298 772 HG21 ILE 104 HG21 ILE 104 13.156 -8.045 -0.930 773 HG22 ILE 104 HG22 ILE 104 14.712 -7.551 -1.598 774 HG23 ILE 104 HG23 ILE 104 13.542 -8.390 -2.617 775 HD11 ILE 104 HD11 ILE 104 11.656 -8.211 -3.351 776 HD12 ILE 104 HD12 ILE 104 11.756 -7.753 -5.050 777 HD13 ILE 104 HD13 ILE 104 10.628 -6.924 -3.979 778 H HIS 105 H HIS 105 13.147 -4.374 0.117 779 HA HIS 105 HA HIS 105 13.830 -6.095 2.248 780 HB2 HIS 105 HB2 HIS 105 13.806 -3.091 1.997 781 HB3 HIS 105 HB3 HIS 105 14.324 -3.904 3.470 782 HD2 HIS 105 HD2 HIS 105 15.740 -2.764 0.157 783 HE1 HIS 105 HE1 HIS 105 18.567 -5.459 1.738 784 H LEU 106 H LEU 106 11.181 -3.758 1.867 785 HA LEU 106 HA LEU 106 10.204 -4.202 4.541 786 HB2 LEU 106 HB2 LEU 106 9.724 -2.351 2.430 787 HB3 LEU 106 HB3 LEU 106 8.187 -3.036 2.919 788 HG LEU 106 HG LEU 106 8.403 -1.117 4.230 789 HD11 LEU 106 HD11 LEU 106 8.152 -1.931 6.320 790 HD12 LEU 106 HD12 LEU 106 9.628 -2.895 6.245 791 HD13 LEU 106 HD13 LEU 106 8.159 -3.468 5.454 792 HD21 LEU 106 HD21 LEU 106 10.512 -0.681 5.569 793 HD22 LEU 106 HD22 LEU 106 10.623 -0.443 3.826 794 HD23 LEU 106 HD23 LEU 106 11.284 -1.904 4.561 795 H ILE 107 H ILE 107 9.651 -5.701 1.466 796 HA ILE 107 HA ILE 107 7.060 -6.711 1.915 797 HB ILE 107 HB ILE 107 8.560 -6.684 -0.258 798 HG12 ILE 107 HG12 ILE 107 7.101 -8.678 -1.088 799 HG13 ILE 107 HG13 ILE 107 6.388 -8.592 0.521 800 HG21 ILE 107 HG21 ILE 107 9.053 -9.454 0.823 801 HG22 ILE 107 HG22 ILE 107 10.265 -8.221 0.468 802 HG23 ILE 107 HG23 ILE 107 9.343 -8.957 -0.845 803 HD11 ILE 107 HD11 ILE 107 5.090 -7.338 -1.108 804 HD12 ILE 107 HD12 ILE 107 6.499 -6.341 -1.474 805 HD13 ILE 107 HD13 ILE 107 5.762 -6.273 0.127 806 H THR 108 H THR 108 10.092 -7.619 3.233 807 HA THR 108 HA THR 108 9.431 -10.328 3.878 808 HB THR 108 HB THR 108 11.450 -10.322 5.248 809 HG1 THR 108 HG1 THR 108 11.808 -7.575 4.582 810 HG21 THR 108 HG21 THR 108 11.642 -9.047 2.532 811 HG22 THR 108 HG22 THR 108 11.925 -10.729 2.983 812 HG23 THR 108 HG23 THR 108 13.078 -9.484 3.459 813 H ASN 109 H ASN 109 8.409 -7.380 5.151 814 HA ASN 109 HA ASN 109 8.161 -8.342 7.884 815 HB2 ASN 109 HB2 ASN 109 7.454 -5.726 6.562 816 HB3 ASN 109 HB3 ASN 109 7.032 -6.088 8.235 817 HD21 ASN 109 HD21 ASN 109 8.802 -6.612 9.692 818 HD22 ASN 109 HD22 ASN 109 10.343 -5.875 9.434 819 H TYR 110 H TYR 110 6.501 -9.061 5.223 820 HA TYR 110 HA TYR 110 3.803 -8.601 5.834 821 HB2 TYR 110 HB2 TYR 110 4.352 -9.309 3.628 822 HB3 TYR 110 HB3 TYR 110 5.164 -10.753 4.215 823 HD1 TYR 110 HD1 TYR 110 1.765 -9.168 4.073 824 HD2 TYR 110 HD2 TYR 110 4.032 -12.771 4.264 825 HE1 TYR 110 HE1 TYR 110 -0.286 -10.477 3.762 826 HE2 TYR 110 HE2 TYR 110 1.980 -14.081 3.951 827 HH TYR 110 HH TYR 110 -0.205 -13.951 3.284 828 H GLY 111 H GLY 111 5.841 -11.439 6.561 829 HA2 GLY 111 HA2 GLY 111 5.077 -11.993 9.073 830 HA3 GLY 111 HA3 GLY 111 3.720 -12.616 8.149 831 H ALA 112 H ALA 112 4.804 -14.477 9.552 832 HA ALA 112 HA ALA 112 6.915 -15.800 8.018 833 HB1 ALA 112 HB1 ALA 112 6.733 -17.463 9.994 834 HB2 ALA 112 HB2 ALA 112 5.803 -16.182 10.771 835 HB3 ALA 112 HB3 ALA 112 7.467 -15.883 10.271 836 H VAL 113 H VAL 113 3.704 -15.621 7.771 837 HA VAL 113 HA VAL 113 3.449 -18.422 6.907 838 HB VAL 113 HB VAL 113 1.025 -18.307 7.497 839 HG11 VAL 113 HG11 VAL 113 1.941 -19.499 9.169 840 HG12 VAL 113 HG12 VAL 113 1.692 -18.040 10.127 841 HG13 VAL 113 HG13 VAL 113 3.264 -18.352 9.390 842 HG21 VAL 113 HG21 VAL 113 0.038 -16.448 8.244 843 HG22 VAL 113 HG22 VAL 113 1.505 -15.592 7.768 844 HG23 VAL 113 HG23 VAL 113 1.314 -16.159 9.428 845 H LEU 114 H LEU 114 1.917 -18.790 5.175 846 HA LEU 114 HA LEU 114 2.227 -16.970 3.047 847 HB2 LEU 114 HB2 LEU 114 0.440 -19.369 3.387 848 HB3 LEU 114 HB3 LEU 114 0.549 -18.463 1.890 849 HG LEU 114 HG LEU 114 2.903 -19.819 3.210 850 HD11 LEU 114 HD11 LEU 114 2.637 -21.426 1.268 851 HD12 LEU 114 HD12 LEU 114 1.012 -20.769 1.078 852 HD13 LEU 114 HD13 LEU 114 1.466 -21.573 2.579 853 HD21 LEU 114 HD21 LEU 114 2.507 -18.211 0.742 854 HD22 LEU 114 HD22 LEU 114 3.623 -19.575 0.675 855 HD23 LEU 114 HD23 LEU 114 3.884 -18.280 1.841 856 H SER 115 H SER 115 -0.519 -17.598 5.201 857 HA SER 115 HA SER 115 -1.755 -15.140 4.165 858 HB2 SER 115 HB2 SER 115 -3.189 -17.744 4.747 859 HB3 SER 115 HB3 SER 115 -3.989 -16.218 4.375 860 HG SER 115 HG SER 115 -2.129 -16.729 2.515 861 HA PRO 116 HA PRO 116 -2.105 -14.128 8.462 862 HB2 PRO 116 HB2 PRO 116 -3.900 -12.134 8.352 863 HB3 PRO 116 HB3 PRO 116 -2.275 -11.957 7.680 864 HG2 PRO 116 HG2 PRO 116 -4.853 -12.557 6.276 865 HG3 PRO 116 HG3 PRO 116 -3.557 -11.441 5.805 866 HD2 PRO 116 HD2 PRO 116 -3.843 -13.947 4.758 867 HD3 PRO 116 HD3 PRO 116 -2.283 -13.112 4.887 868 H SER 117 H SER 117 -3.230 -16.407 8.537 869 HA SER 117 HA SER 117 -6.056 -16.076 9.285 870 HB2 SER 117 HB2 SER 117 -4.498 -18.585 8.614 871 HB3 SER 117 HB3 SER 117 -6.200 -18.544 9.070 872 HG SER 117 HG SER 117 -5.628 -16.816 7.047 873 H GLU 118 H GLU 118 -6.756 -16.527 11.320 874 HA GLU 118 HA GLU 118 -4.760 -17.495 13.254 875 HB2 GLU 118 HB2 GLU 118 -6.716 -15.213 13.590 876 HB3 GLU 118 HB3 GLU 118 -5.842 -15.948 14.928 877 HG2 GLU 118 HG2 GLU 118 -3.731 -15.263 13.980 878 HG3 GLU 118 HG3 GLU 118 -4.545 -14.631 12.550 879 H LYS 119 H LYS 119 -5.562 -18.732 14.980 880 HA LYS 119 HA LYS 119 -7.898 -20.261 14.364 881 HB2 LYS 119 HB2 LYS 119 -6.076 -20.269 16.776 882 HB3 LYS 119 HB3 LYS 119 -7.385 -21.416 16.528 883 HG2 LYS 119 HG2 LYS 119 -6.301 -22.216 14.487 884 HG3 LYS 119 HG3 LYS 119 -4.987 -21.064 14.737 885 HD2 LYS 119 HD2 LYS 119 -4.459 -22.154 16.877 886 HD3 LYS 119 HD3 LYS 119 -5.752 -23.321 16.593 887 HE2 LYS 119 HE2 LYS 119 -3.337 -22.916 14.831 888 HE3 LYS 119 HE3 LYS 119 -3.535 -24.214 16.007 889 HZ1 LYS 119 HZ1 LYS 119 -4.276 -25.288 14.179 890 HZ2 LYS 119 HZ2 LYS 119 -4.765 -23.878 13.388 891 HZ3 LYS 119 HZ3 LYS 119 -5.740 -24.549 14.595 892 H SER 120 H SER 120 -9.861 -20.337 15.444 893 HA SER 120 HA SER 120 -10.360 -18.147 17.351 894 HB2 SER 120 HB2 SER 120 -12.223 -19.183 15.197 895 HB3 SER 120 HB3 SER 120 -12.642 -17.965 16.401 896 HG SER 120 HG SER 120 -10.351 -17.515 14.882 897 H TYR 121 H TYR 121 -11.768 -18.572 19.060 898 HA TYR 121 HA TYR 121 -12.247 -21.438 19.532 899 HB2 TYR 121 HB2 TYR 121 -11.989 -19.157 21.505 900 HB3 TYR 121 HB3 TYR 121 -12.344 -20.825 21.941 901 HD1 TYR 121 HD1 TYR 121 -9.759 -18.467 20.932 902 HD2 TYR 121 HD2 TYR 121 -10.615 -22.568 21.682 903 HE1 TYR 121 HE1 TYR 121 -7.350 -18.942 21.050 904 HE2 TYR 121 HE2 TYR 121 -8.207 -23.052 21.803 905 HH TYR 121 HH TYR 121 -5.969 -21.121 22.392 906 H GLN 122 H GLN 122 -14.141 -21.105 18.105 907 HA GLN 122 HA GLN 122 -16.367 -20.964 17.742 908 HB2 GLN 122 HB2 GLN 122 -16.337 -22.381 19.822 909 HB3 GLN 122 HB3 GLN 122 -16.660 -20.923 20.751 910 HG2 GLN 122 HG2 GLN 122 -18.702 -22.159 20.386 911 HG3 GLN 122 HG3 GLN 122 -18.763 -20.623 19.520 912 HE21 GLN 122 HE21 GLN 122 -19.774 -20.857 17.663 913 HE22 GLN 122 HE22 GLN 122 -19.624 -22.194 16.581 914 H GLU 123 H GLU 123 -16.864 -19.208 20.737 915 HA GLU 123 HA GLU 123 -17.836 -16.938 19.196 916 HB2 GLU 123 HB2 GLU 123 -18.018 -17.622 22.132 917 HB3 GLU 123 HB3 GLU 123 -18.631 -16.125 21.446 918 HG2 GLU 123 HG2 GLU 123 -20.198 -17.345 20.075 919 HG3 GLU 123 HG3 GLU 123 -19.527 -18.880 20.623 920 H GLY 124 H GLY 124 -14.972 -17.858 20.691 921 HA2 GLY 124 HA2 GLY 124 -14.218 -15.093 21.348 922 HA3 GLY 124 HA3 GLY 124 -13.329 -16.537 21.809 Start of MODEL 20 1 H1 SER 1 HT1 SER 1 -9.008 20.662 -12.703 2 H2 SER 1 HT2 SER 1 -8.027 20.773 -11.326 3 H3 SER 1 HT3 SER 1 -9.709 20.894 -11.181 4 HA SER 1 HA SER 1 -9.889 18.590 -12.056 5 HB2 SER 1 HB2 SER 1 -7.166 17.915 -11.245 6 HB3 SER 1 HB3 SER 1 -8.055 17.452 -12.700 7 HG SER 1 HG SER 1 -7.436 20.065 -12.780 8 H GLU 2 H GLU 2 -8.957 20.512 -9.543 9 HA GLU 2 HA GLU 2 -9.115 20.424 -7.280 10 HB2 GLU 2 HB2 GLU 2 -10.894 18.047 -7.846 11 HB3 GLU 2 HB3 GLU 2 -10.796 18.907 -6.316 12 HG2 GLU 2 HG2 GLU 2 -11.664 20.153 -8.916 13 HG3 GLU 2 HG3 GLU 2 -12.762 19.521 -7.692 14 H PHE 3 H PHE 3 -6.754 19.468 -7.983 15 HA PHE 3 HA PHE 3 -6.147 16.826 -7.216 16 HB2 PHE 3 HB2 PHE 3 -4.488 19.318 -7.492 17 HB3 PHE 3 HB3 PHE 3 -3.781 17.830 -6.875 18 HD1 PHE 3 HD1 PHE 3 -4.828 19.643 -9.797 19 HD2 PHE 3 HD2 PHE 3 -3.793 15.788 -8.319 20 HE1 PHE 3 HE1 PHE 3 -4.445 18.867 -12.099 21 HE2 PHE 3 HE2 PHE 3 -3.406 15.006 -10.623 22 HZ PHE 3 HZ PHE 3 -3.731 16.547 -12.514 23 H GLY 4 H GLY 4 -6.211 19.848 -5.386 24 HA2 GLY 4 HA2 GLY 4 -6.656 20.024 -3.084 25 HA3 GLY 4 HA3 GLY 4 -6.333 18.303 -2.915 26 H SER 5 H SER 5 -3.897 17.882 -3.749 27 HA SER 5 HA SER 5 -1.701 17.968 -3.197 28 HB2 SER 5 HB2 SER 5 -2.213 20.948 -3.061 29 HB3 SER 5 HB3 SER 5 -0.619 20.191 -3.091 30 HG SER 5 HG SER 5 -1.416 20.910 -5.175 31 H MET 6 H MET 6 -3.417 17.336 -1.105 32 HA MET 6 HA MET 6 -2.037 18.579 1.191 33 HB2 MET 6 HB2 MET 6 -4.855 17.482 1.105 34 HB3 MET 6 HB3 MET 6 -4.052 18.108 2.537 35 HG2 MET 6 HG2 MET 6 -4.675 19.696 0.056 36 HG3 MET 6 HG3 MET 6 -5.614 19.717 1.549 37 HE1 MET 6 HE1 MET 6 -5.291 22.498 1.561 38 HE2 MET 6 HE2 MET 6 -4.459 22.217 0.032 39 HE3 MET 6 HE3 MET 6 -3.700 23.206 1.279 40 H ALA 7 H ALA 7 -1.063 17.239 2.622 41 HA ALA 7 HA ALA 7 -1.695 14.403 2.649 42 HB1 ALA 7 HB1 ALA 7 0.013 14.711 0.849 43 HB2 ALA 7 HB2 ALA 7 0.522 13.645 2.159 44 HB3 ALA 7 HB3 ALA 7 1.128 15.299 2.082 45 H GLY 8 H GLY 8 -0.772 13.284 4.470 46 HA2 GLY 8 HA2 GLY 8 0.820 14.602 6.418 47 HA3 GLY 8 HA3 GLY 8 -0.878 14.670 6.867 48 H ASN 9 H ASN 9 0.591 13.419 8.623 49 HA ASN 9 HA ASN 9 0.965 11.491 9.770 50 HB2 ASN 9 HB2 ASN 9 -1.572 11.432 9.326 51 HB3 ASN 9 HB3 ASN 9 -1.199 10.210 8.114 52 HD21 ASN 9 HD21 ASN 9 -2.141 8.495 9.102 53 HD22 ASN 9 HD22 ASN 9 -1.607 7.838 10.608 54 H CYS 10 H CYS 10 2.732 11.826 7.704 55 HA CYS 10 HA CYS 10 3.073 9.084 6.684 56 HB2 CYS 10 HB2 CYS 10 3.978 11.682 5.422 57 HB3 CYS 10 HB3 CYS 10 4.345 10.077 4.800 58 HG CYS 10 HG CYS 10 1.089 10.959 5.220 59 H GLY 11 H GLY 11 5.152 8.186 6.738 60 HA2 GLY 11 HA2 GLY 11 7.448 8.134 7.256 61 HA3 GLY 11 HA3 GLY 11 7.295 9.720 7.997 62 H ALA 12 H ALA 12 4.768 8.234 9.273 63 HA ALA 12 HA ALA 12 6.287 7.381 11.633 64 HB1 ALA 12 HB1 ALA 12 3.917 8.915 11.279 65 HB2 ALA 12 HB2 ALA 12 4.771 8.535 12.775 66 HB3 ALA 12 HB3 ALA 12 3.507 7.455 12.183 67 H ARG 13 H ARG 13 6.357 5.559 9.608 68 HA ARG 13 HA ARG 13 4.309 3.633 9.572 69 HB2 ARG 13 HB2 ARG 13 6.103 3.800 7.881 70 HB3 ARG 13 HB3 ARG 13 7.273 3.269 9.078 71 HG2 ARG 13 HG2 ARG 13 6.203 1.101 9.210 72 HG3 ARG 13 HG3 ARG 13 4.944 1.632 8.093 73 HD2 ARG 13 HD2 ARG 13 6.578 0.319 6.899 74 HD3 ARG 13 HD3 ARG 13 6.676 1.996 6.370 75 HE ARG 13 HE ARG 13 8.601 0.661 8.159 76 HH11 ARG 13 HH11 ARG 13 10.726 1.466 8.053 77 HH12 ARG 13 HH12 ARG 13 11.078 2.829 7.046 78 HH21 ARG 13 HH21 ARG 13 7.789 3.206 5.915 79 HH22 ARG 13 HH22 ARG 13 9.405 3.820 5.828 80 H GLY 14 H GLY 14 7.293 3.809 11.498 81 HA2 GLY 14 HA2 GLY 14 7.529 3.113 13.726 82 HA3 GLY 14 HA3 GLY 14 6.003 2.257 13.595 83 H ALA 15 H ALA 15 8.500 1.327 14.730 84 HA ALA 15 HA ALA 15 9.820 -0.483 13.013 85 HB1 ALA 15 HB1 ALA 15 10.789 0.254 15.132 86 HB2 ALA 15 HB2 ALA 15 10.690 -1.504 15.057 87 HB3 ALA 15 HB3 ALA 15 9.521 -0.595 16.014 88 H LEU 16 H LEU 16 7.038 -0.811 15.142 89 HA LEU 16 HA LEU 16 6.657 -3.589 14.309 90 HB2 LEU 16 HB2 LEU 16 5.169 -1.952 16.370 91 HB3 LEU 16 HB3 LEU 16 4.919 -3.656 16.050 92 HG LEU 16 HG LEU 16 7.463 -2.444 17.139 93 HD11 LEU 16 HD11 LEU 16 5.537 -2.404 18.703 94 HD12 LEU 16 HD12 LEU 16 6.860 -3.440 19.239 95 HD13 LEU 16 HD13 LEU 16 5.410 -4.155 18.532 96 HD21 LEU 16 HD21 LEU 16 7.910 -4.921 17.630 97 HD22 LEU 16 HD22 LEU 16 8.123 -4.358 15.971 98 HD23 LEU 16 HD23 LEU 16 6.668 -5.247 16.422 99 H SER 17 H SER 17 4.678 -4.280 13.349 100 HA SER 17 HA SER 17 3.623 -2.389 11.489 101 HB2 SER 17 HB2 SER 17 1.988 -4.479 11.175 102 HB3 SER 17 HB3 SER 17 3.642 -4.474 10.558 103 HG SER 17 HG SER 17 4.115 -6.021 11.892 104 H ALA 18 H ALA 18 2.339 -0.815 12.188 105 HA ALA 18 HA ALA 18 0.315 -1.307 14.224 106 HB1 ALA 18 HB1 ALA 18 0.032 1.066 14.309 107 HB2 ALA 18 HB2 ALA 18 0.951 1.282 12.819 108 HB3 ALA 18 HB3 ALA 18 1.763 0.726 14.285 109 H HIS 19 H HIS 19 0.561 -1.495 10.925 110 HA HIS 19 HA HIS 19 -2.228 -0.744 10.428 111 HB2 HIS 19 HB2 HIS 19 0.055 -1.235 8.512 112 HB3 HIS 19 HB3 HIS 19 -1.590 -0.881 8.018 113 HD2 HIS 19 HD2 HIS 19 -2.317 1.764 8.105 114 HE1 HIS 19 HE1 HIS 19 1.346 3.267 9.552 115 H THR 20 H THR 20 -1.189 -3.323 11.678 116 HA THR 20 HA THR 20 -1.716 -5.362 9.724 117 HB THR 20 HB THR 20 -1.476 -5.593 12.733 118 HG1 THR 20 HG1 THR 20 0.622 -5.580 12.399 119 HG21 THR 20 HG21 THR 20 -0.718 -7.900 11.127 120 HG22 THR 20 HG22 THR 20 -2.424 -7.488 10.951 121 HG23 THR 20 HG23 THR 20 -1.754 -7.809 12.550 122 H LEU 21 H LEU 21 -3.655 -5.991 9.067 123 HA LEU 21 HA LEU 21 -5.807 -6.427 10.942 124 HB2 LEU 21 HB2 LEU 21 -5.737 -4.058 9.322 125 HB3 LEU 21 HB3 LEU 21 -7.068 -5.076 8.808 126 HG LEU 21 HG LEU 21 -7.232 -5.038 11.602 127 HD11 LEU 21 HD11 LEU 21 -5.711 -3.167 11.712 128 HD12 LEU 21 HD12 LEU 21 -7.347 -2.626 12.093 129 HD13 LEU 21 HD13 LEU 21 -6.654 -2.291 10.506 130 HD21 LEU 21 HD21 LEU 21 -8.744 -3.675 9.393 131 HD22 LEU 21 HD22 LEU 21 -9.233 -3.545 11.082 132 HD23 LEU 21 HD23 LEU 21 -9.181 -5.125 10.300 133 H LEU 22 H LEU 22 -7.775 -7.351 9.684 134 HA LEU 22 HA LEU 22 -6.893 -9.637 8.302 135 HB2 LEU 22 HB2 LEU 22 -8.931 -9.601 9.625 136 HB3 LEU 22 HB3 LEU 22 -9.658 -8.451 8.520 137 HG LEU 22 HG LEU 22 -9.581 -10.168 6.729 138 HD11 LEU 22 HD11 LEU 22 -9.202 -12.527 7.433 139 HD12 LEU 22 HD12 LEU 22 -8.567 -11.919 8.960 140 HD13 LEU 22 HD13 LEU 22 -7.749 -11.527 7.448 141 HD21 LEU 22 HD21 LEU 22 -11.107 -10.523 9.258 142 HD22 LEU 22 HD22 LEU 22 -11.232 -11.769 8.014 143 HD23 LEU 22 HD23 LEU 22 -11.676 -10.104 7.643 144 H PHE 23 H PHE 23 -8.645 -6.771 7.018 145 HA PHE 23 HA PHE 23 -8.244 -7.782 4.308 146 HB2 PHE 23 HB2 PHE 23 -9.727 -5.344 5.309 147 HB3 PHE 23 HB3 PHE 23 -9.618 -5.818 3.619 148 HD1 PHE 23 HD1 PHE 23 -11.230 -6.425 6.805 149 HD2 PHE 23 HD2 PHE 23 -10.707 -7.891 2.843 150 HE1 PHE 23 HE1 PHE 23 -13.204 -7.865 7.081 151 HE2 PHE 23 HE2 PHE 23 -12.682 -9.332 3.111 152 HZ PHE 23 HZ PHE 23 -13.934 -9.320 5.232 153 H ASP 24 H ASP 24 -7.195 -5.191 6.383 154 HA ASP 24 HA ASP 24 -5.400 -4.232 4.287 155 HB2 ASP 24 HB2 ASP 24 -4.969 -2.312 5.988 156 HB3 ASP 24 HB3 ASP 24 -6.435 -2.297 5.018 157 H LEU 25 H LEU 25 -4.220 -6.219 4.655 158 HA LEU 25 HA LEU 25 -2.910 -7.091 6.863 159 HB2 LEU 25 HB2 LEU 25 -1.954 -6.926 4.018 160 HB3 LEU 25 HB3 LEU 25 -1.056 -7.771 5.267 161 HG LEU 25 HG LEU 25 -3.871 -8.438 4.413 162 HD11 LEU 25 HD11 LEU 25 -2.721 -9.213 2.623 163 HD12 LEU 25 HD12 LEU 25 -2.496 -10.586 3.710 164 HD13 LEU 25 HD13 LEU 25 -1.214 -9.389 3.524 165 HD21 LEU 25 HD21 LEU 25 -3.230 -10.588 5.697 166 HD22 LEU 25 HD22 LEU 25 -3.737 -9.165 6.607 167 HD23 LEU 25 HD23 LEU 25 -2.025 -9.566 6.477 168 HA PRO 26 HA PRO 26 0.102 -4.465 8.718 169 HB2 PRO 26 HB2 PRO 26 2.407 -5.977 7.904 170 HB3 PRO 26 HB3 PRO 26 1.618 -5.941 9.480 171 HG2 PRO 26 HG2 PRO 26 1.326 -7.875 7.274 172 HG3 PRO 26 HG3 PRO 26 1.048 -8.095 9.009 173 HD2 PRO 26 HD2 PRO 26 -0.985 -7.987 7.274 174 HD3 PRO 26 HD3 PRO 26 -1.116 -7.262 8.890 175 HA PRO 27 HA PRO 27 1.858 -1.529 6.027 176 HB2 PRO 27 HB2 PRO 27 4.414 -1.217 7.099 177 HB3 PRO 27 HB3 PRO 27 2.965 -0.328 7.561 178 HG2 PRO 27 HG2 PRO 27 4.259 -2.638 8.852 179 HG3 PRO 27 HG3 PRO 27 3.342 -1.313 9.576 180 HD2 PRO 27 HD2 PRO 27 2.329 -3.805 9.300 181 HD3 PRO 27 HD3 PRO 27 1.322 -2.355 9.227 182 H ALA 28 H ALA 28 3.244 -4.599 6.229 183 HA ALA 28 HA ALA 28 5.513 -4.421 4.634 184 HB1 ALA 28 HB1 ALA 28 4.530 -6.814 3.878 185 HB2 ALA 28 HB2 ALA 28 3.579 -6.543 5.337 186 HB3 ALA 28 HB3 ALA 28 5.341 -6.540 5.421 187 H LEU 29 H LEU 29 2.079 -4.480 3.773 188 HA LEU 29 HA LEU 29 2.859 -4.193 0.954 189 HB2 LEU 29 HB2 LEU 29 0.885 -5.795 2.087 190 HB3 LEU 29 HB3 LEU 29 0.009 -4.437 1.430 191 HG LEU 29 HG LEU 29 0.788 -4.830 -0.762 192 HD11 LEU 29 HD11 LEU 29 2.913 -6.243 0.628 193 HD12 LEU 29 HD12 LEU 29 2.895 -5.536 -0.986 194 HD13 LEU 29 HD13 LEU 29 2.270 -7.163 -0.729 195 HD21 LEU 29 HD21 LEU 29 -0.390 -7.030 0.776 196 HD22 LEU 29 HD22 LEU 29 0.313 -7.498 -0.771 197 HD23 LEU 29 HD23 LEU 29 -0.936 -6.256 -0.712 198 H LEU 30 H LEU 30 -0.036 -3.027 2.681 199 HA LEU 30 HA LEU 30 -0.261 -0.707 1.104 200 HB2 LEU 30 HB2 LEU 30 -2.170 -1.722 2.271 201 HB3 LEU 30 HB3 LEU 30 -1.458 -1.295 3.814 202 HG LEU 30 HG LEU 30 -1.704 1.098 3.236 203 HD11 LEU 30 HD11 LEU 30 -3.263 1.630 1.335 204 HD12 LEU 30 HD12 LEU 30 -2.998 -0.017 0.765 205 HD13 LEU 30 HD13 LEU 30 -1.644 1.106 0.873 206 HD21 LEU 30 HD21 LEU 30 -3.480 -0.404 4.390 207 HD22 LEU 30 HD22 LEU 30 -4.382 -0.177 2.890 208 HD23 LEU 30 HD23 LEU 30 -3.923 1.220 3.863 209 H GLY 31 H GLY 31 1.037 -1.095 4.407 210 HA2 GLY 31 HA2 GLY 31 1.359 1.626 4.985 211 HA3 GLY 31 HA3 GLY 31 2.269 0.332 5.715 212 H GLU 32 H GLU 32 3.869 -0.626 3.840 213 HA GLU 32 HA GLU 32 5.796 1.450 3.564 214 HB2 GLU 32 HB2 GLU 32 6.312 -0.927 4.076 215 HB3 GLU 32 HB3 GLU 32 5.888 -1.332 2.416 216 HG2 GLU 32 HG2 GLU 32 7.928 0.779 2.852 217 HG3 GLU 32 HG3 GLU 32 8.383 -0.892 3.159 218 H LEU 33 H LEU 33 3.764 -0.278 1.198 219 HA LEU 33 HA LEU 33 5.059 0.897 -1.029 220 HB2 LEU 33 HB2 LEU 33 2.330 -0.378 -0.851 221 HB3 LEU 33 HB3 LEU 33 3.105 0.139 -2.345 222 HG LEU 33 HG LEU 33 4.163 -1.977 -0.468 223 HD11 LEU 33 HD11 LEU 33 3.609 -3.529 -2.293 224 HD12 LEU 33 HD12 LEU 33 2.837 -2.205 -3.165 225 HD13 LEU 33 HD13 LEU 33 2.182 -2.743 -1.617 226 HD21 LEU 33 HD21 LEU 33 5.312 -0.575 -2.790 227 HD22 LEU 33 HD22 LEU 33 5.491 -2.329 -2.782 228 HD23 LEU 33 HD23 LEU 33 6.106 -1.374 -1.433 229 H CYS 34 H CYS 34 2.208 1.948 0.837 230 HA CYS 34 HA CYS 34 1.671 4.048 -1.062 231 HB2 CYS 34 HB2 CYS 34 -0.123 4.721 0.317 232 HB3 CYS 34 HB3 CYS 34 -0.083 2.964 0.416 233 HG CYS 34 HG CYS 34 0.816 2.777 2.945 234 H ALA 35 H ALA 35 3.475 3.793 1.950 235 HA ALA 35 HA ALA 35 3.775 6.667 2.160 236 HB1 ALA 35 HB1 ALA 35 5.573 5.527 3.930 237 HB2 ALA 35 HB2 ALA 35 4.222 4.391 3.883 238 HB3 ALA 35 HB3 ALA 35 3.938 6.084 4.291 239 H VAL 36 H VAL 36 6.064 3.954 1.701 240 HA VAL 36 HA VAL 36 8.301 5.625 1.284 241 HB VAL 36 HB VAL 36 7.853 2.714 0.617 242 HG11 VAL 36 HG11 VAL 36 9.601 3.948 -0.831 243 HG12 VAL 36 HG12 VAL 36 10.087 2.464 -0.009 244 HG13 VAL 36 HG13 VAL 36 10.551 4.029 0.655 245 HG21 VAL 36 HG21 VAL 36 9.438 2.428 2.532 246 HG22 VAL 36 HG22 VAL 36 7.878 3.130 2.965 247 HG23 VAL 36 HG23 VAL 36 9.302 4.161 2.828 248 H LEU 37 H LEU 37 6.140 4.002 -1.067 249 HA LEU 37 HA LEU 37 7.652 4.943 -3.297 250 HB2 LEU 37 HB2 LEU 37 4.822 3.918 -3.252 251 HB3 LEU 37 HB3 LEU 37 5.778 4.211 -4.694 252 HG LEU 37 HG LEU 37 6.326 2.126 -2.579 253 HD11 LEU 37 HD11 LEU 37 5.217 2.050 -5.357 254 HD12 LEU 37 HD12 LEU 37 4.565 1.348 -3.874 255 HD13 LEU 37 HD13 LEU 37 5.997 0.644 -4.630 256 HD21 LEU 37 HD21 LEU 37 8.087 1.384 -4.220 257 HD22 LEU 37 HD22 LEU 37 8.441 2.890 -3.372 258 HD23 LEU 37 HD23 LEU 37 7.871 2.931 -5.041 259 H ASP 38 H ASP 38 5.280 6.385 -1.290 260 HA ASP 38 HA ASP 38 4.126 8.221 -3.055 261 HB2 ASP 38 HB2 ASP 38 3.394 7.767 -0.680 262 HB3 ASP 38 HB3 ASP 38 4.756 8.744 -0.139 263 H SER 39 H SER 39 7.168 8.290 -1.302 264 HA SER 39 HA SER 39 7.774 11.000 -2.152 265 HB2 SER 39 HB2 SER 39 9.434 8.977 -0.628 266 HB3 SER 39 HB3 SER 39 9.901 10.652 -0.927 267 HG SER 39 HG SER 39 7.400 10.338 0.186 268 H CYS 40 H CYS 40 7.691 8.243 -3.782 269 HA CYS 40 HA CYS 40 10.238 7.994 -4.971 270 HB2 CYS 40 HB2 CYS 40 8.571 6.204 -5.059 271 HB3 CYS 40 HB3 CYS 40 7.530 7.209 -6.070 272 HG CYS 40 HG CYS 40 8.702 5.240 -7.656 273 H ASP 41 H ASP 41 11.073 8.757 -6.846 274 HA ASP 41 HA ASP 41 9.587 10.862 -8.248 275 HB2 ASP 41 HB2 ASP 41 11.374 11.692 -6.556 276 HB3 ASP 41 HB3 ASP 41 12.542 11.119 -7.742 277 H GLY 42 H GLY 42 9.713 8.263 -9.079 278 HA2 GLY 42 HA2 GLY 42 9.915 7.407 -11.268 279 HA3 GLY 42 HA3 GLY 42 11.213 8.548 -11.570 280 H ALA 43 H ALA 43 12.223 7.490 -8.759 281 HA ALA 43 HA ALA 43 14.202 5.773 -9.801 282 HB1 ALA 43 HB1 ALA 43 13.324 6.372 -6.989 283 HB2 ALA 43 HB2 ALA 43 14.752 6.956 -7.842 284 HB3 ALA 43 HB3 ALA 43 14.649 5.266 -7.351 285 H LEU 44 H LEU 44 11.238 5.090 -7.982 286 HA LEU 44 HA LEU 44 11.551 2.235 -8.649 287 HB2 LEU 44 HB2 LEU 44 9.835 3.472 -6.473 288 HB3 LEU 44 HB3 LEU 44 9.957 1.763 -6.825 289 HG LEU 44 HG LEU 44 11.333 1.922 -4.995 290 HD11 LEU 44 HD11 LEU 44 13.226 2.528 -7.259 291 HD12 LEU 44 HD12 LEU 44 12.620 0.936 -6.803 292 HD13 LEU 44 HD13 LEU 44 13.663 1.830 -5.700 293 HD21 LEU 44 HD21 LEU 44 12.558 3.776 -4.287 294 HD22 LEU 44 HD22 LEU 44 11.103 4.473 -5.002 295 HD23 LEU 44 HD23 LEU 44 12.619 4.473 -5.905 296 H GLY 45 H GLY 45 9.686 5.066 -9.051 297 HA2 GLY 45 HA2 GLY 45 7.986 5.516 -10.543 298 HA3 GLY 45 HA3 GLY 45 8.006 3.822 -11.018 299 H TRP 46 H TRP 46 6.299 6.215 -9.309 300 HA TRP 46 HA TRP 46 5.010 4.810 -7.300 301 HB2 TRP 46 HB2 TRP 46 2.975 6.326 -7.918 302 HB3 TRP 46 HB3 TRP 46 4.471 7.060 -7.329 303 HD1 TRP 46 HD1 TRP 46 2.365 6.699 -10.516 304 HE1 TRP 46 HE1 TRP 46 3.112 8.500 -12.197 305 HE3 TRP 46 HE3 TRP 46 6.435 8.515 -8.008 306 HZ2 TRP 46 HZ2 TRP 46 5.152 10.433 -12.428 307 HZ3 TRP 46 HZ3 TRP 46 7.726 10.342 -9.027 308 HH2 TRP 46 HH2 TRP 46 7.099 11.281 -11.192 309 H ARG 47 H ARG 47 4.051 5.012 -10.724 310 HA ARG 47 HA ARG 47 2.029 2.974 -10.380 311 HB2 ARG 47 HB2 ARG 47 1.652 3.203 -12.806 312 HB3 ARG 47 HB3 ARG 47 1.543 4.739 -11.967 313 HG2 ARG 47 HG2 ARG 47 3.921 5.166 -12.688 314 HG3 ARG 47 HG3 ARG 47 3.783 3.730 -13.700 315 HD2 ARG 47 HD2 ARG 47 1.944 4.723 -14.918 316 HD3 ARG 47 HD3 ARG 47 1.961 6.129 -13.855 317 HE ARG 47 HE ARG 47 3.811 6.938 -14.976 318 HH11 ARG 47 HH11 ARG 47 5.218 7.047 -16.759 319 HH12 ARG 47 HH12 ARG 47 5.375 5.679 -17.811 320 HH21 ARG 47 HH21 ARG 47 3.097 3.699 -16.041 321 HH22 ARG 47 HH22 ARG 47 4.167 3.771 -17.401 322 H GLY 48 H GLY 48 5.271 2.734 -10.476 323 HA2 GLY 48 HA2 GLY 48 5.870 0.913 -12.511 324 HA3 GLY 48 HA3 GLY 48 6.737 1.044 -10.992 325 H LEU 49 H LEU 49 4.732 0.267 -9.202 326 HA LEU 49 HA LEU 49 4.758 -2.574 -9.675 327 HB2 LEU 49 HB2 LEU 49 3.581 -0.983 -7.399 328 HB3 LEU 49 HB3 LEU 49 3.718 -2.730 -7.444 329 HG LEU 49 HG LEU 49 6.035 -0.786 -7.438 330 HD11 LEU 49 HD11 LEU 49 5.063 -2.674 -5.303 331 HD12 LEU 49 HD12 LEU 49 4.821 -0.929 -5.304 332 HD13 LEU 49 HD13 LEU 49 6.451 -1.593 -5.202 333 HD21 LEU 49 HD21 LEU 49 6.719 -2.696 -8.656 334 HD22 LEU 49 HD22 LEU 49 5.910 -3.792 -7.537 335 HD23 LEU 49 HD23 LEU 49 7.344 -2.905 -7.021 336 H ALA 50 H ALA 50 2.304 -0.026 -9.470 337 HA ALA 50 HA ALA 50 0.033 -1.676 -9.684 338 HB1 ALA 50 HB1 ALA 50 0.400 1.191 -10.524 339 HB2 ALA 50 HB2 ALA 50 -0.131 0.616 -8.942 340 HB3 ALA 50 HB3 ALA 50 -1.150 0.366 -10.361 341 H GLU 51 H GLU 51 1.979 -0.093 -12.172 342 HA GLU 51 HA GLU 51 0.324 -0.559 -14.360 343 HB2 GLU 51 HB2 GLU 51 2.220 0.995 -14.410 344 HB3 GLU 51 HB3 GLU 51 3.344 -0.351 -14.267 345 HG2 GLU 51 HG2 GLU 51 2.602 -1.205 -16.438 346 HG3 GLU 51 HG3 GLU 51 1.472 0.139 -16.579 347 H ARG 52 H ARG 52 3.009 -2.504 -13.060 348 HA ARG 52 HA ARG 52 2.852 -4.556 -15.006 349 HB2 ARG 52 HB2 ARG 52 4.069 -4.467 -12.252 350 HB3 ARG 52 HB3 ARG 52 4.144 -5.898 -13.270 351 HG2 ARG 52 HG2 ARG 52 5.385 -4.688 -14.950 352 HG3 ARG 52 HG3 ARG 52 5.223 -3.192 -14.031 353 HD2 ARG 52 HD2 ARG 52 6.543 -4.100 -12.229 354 HD3 ARG 52 HD3 ARG 52 6.607 -5.672 -13.023 355 HE ARG 52 HE ARG 52 8.263 -4.883 -14.404 356 HH11 ARG 52 HH11 ARG 52 9.869 -3.405 -15.046 357 HH12 ARG 52 HH12 ARG 52 9.773 -1.757 -14.523 358 HH21 ARG 52 HH21 ARG 52 6.810 -2.202 -12.710 359 HH22 ARG 52 HH22 ARG 52 8.033 -1.072 -13.194 360 H LEU 53 H LEU 53 1.362 -4.155 -11.829 361 HA LEU 53 HA LEU 53 0.338 -6.781 -11.621 362 HB2 LEU 53 HB2 LEU 53 0.601 -5.127 -9.748 363 HB3 LEU 53 HB3 LEU 53 -0.815 -4.293 -10.365 364 HG LEU 53 HG LEU 53 -1.251 -7.155 -9.893 365 HD11 LEU 53 HD11 LEU 53 -0.646 -5.326 -7.573 366 HD12 LEU 53 HD12 LEU 53 0.282 -6.746 -8.057 367 HD13 LEU 53 HD13 LEU 53 -1.363 -6.932 -7.452 368 HD21 LEU 53 HD21 LEU 53 -2.761 -4.890 -8.659 369 HD22 LEU 53 HD22 LEU 53 -3.348 -6.454 -9.226 370 HD23 LEU 53 HD23 LEU 53 -2.900 -5.205 -10.389 371 H SER 54 H SER 54 -1.113 -3.779 -12.890 372 HA SER 54 HA SER 54 -2.939 -5.384 -14.470 373 HB2 SER 54 HB2 SER 54 -4.162 -5.173 -12.348 374 HB3 SER 54 HB3 SER 54 -4.001 -3.419 -12.422 375 HG SER 54 HG SER 54 -5.578 -5.133 -13.999 376 H SER 55 H SER 55 -3.674 -4.337 -16.293 377 HA SER 55 HA SER 55 -2.789 -1.547 -16.628 378 HB2 SER 55 HB2 SER 55 -2.808 -3.761 -18.698 379 HB3 SER 55 HB3 SER 55 -2.415 -2.074 -19.029 380 HG SER 55 HG SER 55 -0.975 -3.089 -16.947 381 H SER 56 H SER 56 -4.229 -0.129 -17.491 382 HA SER 56 HA SER 56 -6.632 -1.019 -18.808 383 HB2 SER 56 HB2 SER 56 -7.260 -1.285 -16.438 384 HB3 SER 56 HB3 SER 56 -6.828 0.396 -16.131 385 HG SER 56 HG SER 56 -9.034 0.288 -16.463 386 H TRP 57 H TRP 57 -7.820 0.758 -19.756 387 HA TRP 57 HA TRP 57 -6.098 2.863 -20.619 388 HB2 TRP 57 HB2 TRP 57 -9.043 2.347 -21.061 389 HB3 TRP 57 HB3 TRP 57 -8.179 3.698 -21.788 390 HD1 TRP 57 HD1 TRP 57 -6.494 3.158 -23.780 391 HE1 TRP 57 HE1 TRP 57 -6.214 1.098 -25.297 392 HE3 TRP 57 HE3 TRP 57 -9.210 -0.226 -21.070 393 HZ2 TRP 57 HZ2 TRP 57 -7.036 -1.603 -25.343 394 HZ3 TRP 57 HZ3 TRP 57 -9.415 -2.526 -21.921 395 HH2 TRP 57 HH2 TRP 57 -8.350 -3.197 -24.014 396 H LEU 58 H LEU 58 -5.999 4.950 -20.020 397 HA LEU 58 HA LEU 58 -6.216 6.845 -18.800 398 HB2 LEU 58 HB2 LEU 58 -9.032 5.821 -18.505 399 HB3 LEU 58 HB3 LEU 58 -8.506 7.361 -17.854 400 HG LEU 58 HG LEU 58 -8.356 6.636 -20.780 401 HD11 LEU 58 HD11 LEU 58 -10.497 7.972 -19.171 402 HD12 LEU 58 HD12 LEU 58 -10.644 6.702 -20.383 403 HD13 LEU 58 HD13 LEU 58 -10.271 8.352 -20.877 404 HD21 LEU 58 HD21 LEU 58 -8.331 9.262 -20.802 405 HD22 LEU 58 HD22 LEU 58 -6.847 8.347 -20.543 406 HD23 LEU 58 HD23 LEU 58 -7.698 9.054 -19.169 407 H ASP 59 H ASP 59 -5.718 4.062 -17.509 408 HA ASP 59 HA ASP 59 -6.549 4.212 -14.814 409 HB2 ASP 59 HB2 ASP 59 -5.685 2.158 -15.982 410 HB3 ASP 59 HB3 ASP 59 -4.068 2.839 -15.861 411 H VAL 60 H VAL 60 -3.672 5.370 -16.476 412 HA VAL 60 HA VAL 60 -2.261 6.161 -14.157 413 HB VAL 60 HB VAL 60 -0.819 7.446 -15.659 414 HG11 VAL 60 HG11 VAL 60 -1.286 4.657 -15.692 415 HG12 VAL 60 HG12 VAL 60 0.218 5.518 -16.021 416 HG13 VAL 60 HG13 VAL 60 -0.892 5.146 -17.341 417 HG21 VAL 60 HG21 VAL 60 -2.923 7.915 -17.212 418 HG22 VAL 60 HG22 VAL 60 -2.290 6.505 -18.064 419 HG23 VAL 60 HG23 VAL 60 -1.276 7.930 -17.843 420 H ASP 61 H ASP 61 -4.947 7.563 -15.708 421 HA ASP 61 HA ASP 61 -4.431 10.312 -15.351 422 HB2 ASP 61 HB2 ASP 61 -6.241 9.464 -16.793 423 HB3 ASP 61 HB3 ASP 61 -7.090 8.865 -15.373 424 H HIS 62 H HIS 62 -6.135 7.954 -13.287 425 HA HIS 62 HA HIS 62 -6.465 9.902 -11.218 426 HB2 HIS 62 HB2 HIS 62 -7.410 8.085 -9.893 427 HB3 HIS 62 HB3 HIS 62 -8.148 8.170 -11.476 428 HD2 HIS 62 HD2 HIS 62 -5.419 5.955 -9.694 429 HE1 HIS 62 HE1 HIS 62 -7.447 3.603 -12.546 430 H ILE 63 H ILE 63 -3.987 7.703 -12.108 431 HA ILE 63 HA ILE 63 -2.783 7.263 -9.604 432 HB ILE 63 HB ILE 63 -1.611 7.287 -12.380 433 HG12 ILE 63 HG12 ILE 63 -2.031 5.011 -10.434 434 HG13 ILE 63 HG13 ILE 63 -3.222 5.478 -11.645 435 HG21 ILE 63 HG21 ILE 63 0.471 7.210 -11.611 436 HG22 ILE 63 HG22 ILE 63 0.052 5.930 -10.471 437 HG23 ILE 63 HG23 ILE 63 -0.150 7.622 -10.012 438 HD11 ILE 63 HD11 ILE 63 -2.206 4.176 -13.113 439 HD12 ILE 63 HD12 ILE 63 -0.986 3.756 -11.909 440 HD13 ILE 63 HD13 ILE 63 -0.740 5.148 -12.964 441 H GLU 64 H GLU 64 -2.392 9.840 -11.986 442 HA GLU 64 HA GLU 64 -0.380 11.245 -10.553 443 HB2 GLU 64 HB2 GLU 64 -2.319 12.136 -12.694 444 HB3 GLU 64 HB3 GLU 64 -1.043 13.160 -12.050 445 HG2 GLU 64 HG2 GLU 64 -0.659 10.547 -13.499 446 HG3 GLU 64 HG3 GLU 64 -0.378 12.159 -14.156 447 H LYS 65 H LYS 65 -3.877 11.252 -10.490 448 HA LYS 65 HA LYS 65 -4.314 13.683 -9.163 449 HB2 LYS 65 HB2 LYS 65 -5.933 11.153 -9.330 450 HB3 LYS 65 HB3 LYS 65 -6.515 12.604 -8.524 451 HG2 LYS 65 HG2 LYS 65 -6.326 13.857 -10.602 452 HG3 LYS 65 HG3 LYS 65 -5.700 12.424 -11.419 453 HD2 LYS 65 HD2 LYS 65 -7.802 11.254 -10.989 454 HD3 LYS 65 HD3 LYS 65 -8.427 12.670 -10.150 455 HE2 LYS 65 HE2 LYS 65 -8.245 13.976 -12.206 456 HE3 LYS 65 HE3 LYS 65 -7.593 12.570 -13.046 457 HZ1 LYS 65 HZ1 LYS 65 -10.023 11.868 -11.814 458 HZ2 LYS 65 HZ2 LYS 65 -9.638 11.886 -13.464 459 HZ3 LYS 65 HZ3 LYS 65 -10.263 13.275 -12.724 460 H GLU 66 H GLU 66 -4.034 10.383 -7.697 461 HA GLU 66 HA GLU 66 -4.251 11.654 -5.082 462 HB2 GLU 66 HB2 GLU 66 -3.865 8.687 -5.548 463 HB3 GLU 66 HB3 GLU 66 -4.382 9.495 -4.085 464 HG2 GLU 66 HG2 GLU 66 -5.953 9.415 -6.649 465 HG3 GLU 66 HG3 GLU 66 -6.248 8.419 -5.226 466 H VAL 67 H VAL 67 -1.699 11.116 -7.143 467 HA VAL 67 HA VAL 67 0.272 10.050 -5.476 468 HB VAL 67 HB VAL 67 0.461 10.551 -7.976 469 HG11 VAL 67 HG11 VAL 67 1.701 12.693 -8.466 470 HG12 VAL 67 HG12 VAL 67 1.176 13.258 -6.880 471 HG13 VAL 67 HG13 VAL 67 -0.021 12.859 -8.114 472 HG21 VAL 67 HG21 VAL 67 2.588 10.806 -5.922 473 HG22 VAL 67 HG22 VAL 67 3.010 11.163 -7.598 474 HG23 VAL 67 HG23 VAL 67 2.355 9.582 -7.173 475 H ASP 68 H ASP 68 -1.015 13.311 -5.630 476 HA ASP 68 HA ASP 68 0.949 14.295 -3.716 477 HB2 ASP 68 HB2 ASP 68 -1.369 15.623 -5.131 478 HB3 ASP 68 HB3 ASP 68 -0.416 16.433 -3.891 479 H GLN 69 H GLN 69 -1.803 12.520 -3.557 480 HA GLN 69 HA GLN 69 -2.704 13.671 -1.006 481 HB2 GLN 69 HB2 GLN 69 -4.125 11.819 -2.924 482 HB3 GLN 69 HB3 GLN 69 -4.769 12.325 -1.369 483 HG2 GLN 69 HG2 GLN 69 -4.092 14.167 -3.655 484 HG3 GLN 69 HG3 GLN 69 -5.709 13.599 -3.242 485 HE21 GLN 69 HE21 GLN 69 -6.189 13.961 -0.799 486 HE22 GLN 69 HE22 GLN 69 -5.842 15.551 -0.221 487 H GLY 70 H GLY 70 -0.378 11.772 -1.503 488 HA2 GLY 70 HA2 GLY 70 0.418 10.347 0.268 489 HA3 GLY 70 HA3 GLY 70 -1.232 9.816 0.524 490 H LYS 71 H LYS 71 -0.431 9.947 -2.761 491 HA LYS 71 HA LYS 71 0.696 8.464 -4.192 492 HB2 LYS 71 HB2 LYS 71 1.883 7.156 -2.620 493 HB3 LYS 71 HB3 LYS 71 0.401 6.510 -1.931 494 HG2 LYS 71 HG2 LYS 71 1.479 4.797 -3.218 495 HG3 LYS 71 HG3 LYS 71 -0.008 5.283 -4.034 496 HD2 LYS 71 HD2 LYS 71 1.791 4.995 -5.652 497 HD3 LYS 71 HD3 LYS 71 1.316 6.692 -5.561 498 HE2 LYS 71 HE2 LYS 71 3.375 6.156 -3.660 499 HE3 LYS 71 HE3 LYS 71 3.871 5.592 -5.250 500 HZ1 LYS 71 HZ1 LYS 71 3.257 7.815 -6.118 501 HZ2 LYS 71 HZ2 LYS 71 4.536 7.851 -5.011 502 HZ3 LYS 71 HZ3 LYS 71 2.985 8.333 -4.530 503 H SER 72 H SER 72 -0.192 7.310 -5.823 504 HA SER 72 HA SER 72 -2.966 6.365 -5.530 505 HB2 SER 72 HB2 SER 72 -2.558 8.647 -6.734 506 HB3 SER 72 HB3 SER 72 -1.992 7.638 -8.053 507 HG SER 72 HG SER 72 -4.229 8.065 -8.245 508 H GLY 73 H GLY 73 0.170 6.098 -7.111 509 HA2 GLY 73 HA2 GLY 73 -0.386 4.133 -8.989 510 HA3 GLY 73 HA3 GLY 73 1.152 4.291 -8.143 511 H THR 74 H THR 74 0.966 3.489 -5.752 512 HA THR 74 HA THR 74 -0.008 0.785 -5.938 513 HB THR 74 HB THR 74 1.124 0.855 -3.494 514 HG1 THR 74 HG1 THR 74 2.654 2.410 -3.357 515 HG21 THR 74 HG21 THR 74 2.967 -0.187 -4.463 516 HG22 THR 74 HG22 THR 74 2.914 0.837 -5.897 517 HG23 THR 74 HG23 THR 74 1.707 -0.428 -5.671 518 H ARG 75 H ARG 75 -0.605 3.670 -3.986 519 HA ARG 75 HA ARG 75 -2.232 2.490 -2.018 520 HB2 ARG 75 HB2 ARG 75 -1.211 4.781 -1.892 521 HB3 ARG 75 HB3 ARG 75 -2.424 5.325 -3.037 522 HG2 ARG 75 HG2 ARG 75 -4.193 4.746 -1.479 523 HG3 ARG 75 HG3 ARG 75 -3.001 4.161 -0.322 524 HD2 ARG 75 HD2 ARG 75 -2.041 6.405 -0.174 525 HD3 ARG 75 HD3 ARG 75 -3.223 6.989 -1.346 526 HE ARG 75 HE ARG 75 -4.837 6.979 0.300 527 HH11 ARG 75 HH11 ARG 75 -5.563 6.894 2.456 528 HH12 ARG 75 HH12 ARG 75 -4.550 6.196 3.675 529 HH21 ARG 75 HH21 ARG 75 -1.942 5.430 1.468 530 HH22 ARG 75 HH22 ARG 75 -2.483 5.361 3.111 531 H GLU 76 H GLU 76 -3.153 4.152 -5.041 532 HA GLU 76 HA GLU 76 -5.935 3.915 -4.649 533 HB2 GLU 76 HB2 GLU 76 -4.926 5.498 -6.271 534 HB3 GLU 76 HB3 GLU 76 -4.413 4.140 -7.261 535 HG2 GLU 76 HG2 GLU 76 -6.381 5.104 -8.208 536 HG3 GLU 76 HG3 GLU 76 -6.773 3.522 -7.556 537 H LEU 77 H LEU 77 -3.573 1.839 -6.230 538 HA LEU 77 HA LEU 77 -5.333 0.004 -7.410 539 HB2 LEU 77 HB2 LEU 77 -2.954 0.133 -7.954 540 HB3 LEU 77 HB3 LEU 77 -2.540 -0.408 -6.341 541 HG LEU 77 HG LEU 77 -3.624 -2.588 -6.822 542 HD11 LEU 77 HD11 LEU 77 -4.014 -3.071 -9.280 543 HD12 LEU 77 HD12 LEU 77 -4.033 -1.325 -9.518 544 HD13 LEU 77 HD13 LEU 77 -5.229 -2.084 -8.467 545 HD21 LEU 77 HD21 LEU 77 -1.183 -1.552 -7.861 546 HD22 LEU 77 HD22 LEU 77 -1.836 -2.728 -9.000 547 HD23 LEU 77 HD23 LEU 77 -1.553 -3.189 -7.320 548 H LEU 78 H LEU 78 -3.777 -0.031 -4.204 549 HA LEU 78 HA LEU 78 -4.918 -2.517 -3.415 550 HB2 LEU 78 HB2 LEU 78 -3.813 -0.275 -1.709 551 HB3 LEU 78 HB3 LEU 78 -4.165 -1.900 -1.139 552 HG LEU 78 HG LEU 78 -2.054 -1.128 -3.159 553 HD11 LEU 78 HD11 LEU 78 -1.116 -0.545 -1.163 554 HD12 LEU 78 HD12 LEU 78 -0.646 -2.243 -1.259 555 HD13 LEU 78 HD13 LEU 78 -2.013 -1.761 -0.255 556 HD21 LEU 78 HD21 LEU 78 -1.443 -3.645 -2.584 557 HD22 LEU 78 HD22 LEU 78 -2.540 -3.230 -3.899 558 HD23 LEU 78 HD23 LEU 78 -3.186 -3.751 -2.343 559 H TRP 79 H TRP 79 -5.872 0.848 -2.982 560 HA TRP 79 HA TRP 79 -8.097 0.261 -1.273 561 HB2 TRP 79 HB2 TRP 79 -7.056 2.733 -2.590 562 HB3 TRP 79 HB3 TRP 79 -8.675 2.732 -1.901 563 HD1 TRP 79 HD1 TRP 79 -5.033 2.900 -0.939 564 HE1 TRP 79 HE1 TRP 79 -4.839 3.236 1.605 565 HE3 TRP 79 HE3 TRP 79 -9.908 2.089 0.366 566 HZ2 TRP 79 HZ2 TRP 79 -6.527 3.165 3.867 567 HZ3 TRP 79 HZ3 TRP 79 -10.537 2.243 2.739 568 HH2 TRP 79 HH2 TRP 79 -8.880 2.769 4.454 569 H SER 80 H SER 80 -7.743 -0.203 -4.548 570 HA SER 80 HA SER 80 -10.102 0.812 -5.649 571 HB2 SER 80 HB2 SER 80 -8.494 -1.631 -6.405 572 HB3 SER 80 HB3 SER 80 -9.826 -0.999 -7.373 573 HG SER 80 HG SER 80 -7.723 0.706 -6.592 574 H TRP 81 H TRP 81 -9.568 -2.287 -3.970 575 HA TRP 81 HA TRP 81 -12.335 -3.052 -4.428 576 HB2 TRP 81 HB2 TRP 81 -9.975 -4.376 -3.128 577 HB3 TRP 81 HB3 TRP 81 -11.599 -4.990 -2.837 578 HD1 TRP 81 HD1 TRP 81 -8.813 -5.096 -5.330 579 HE1 TRP 81 HE1 TRP 81 -9.515 -6.503 -7.371 580 HE3 TRP 81 HE3 TRP 81 -13.810 -5.534 -4.330 581 HZ2 TRP 81 HZ2 TRP 81 -11.878 -7.639 -8.415 582 HZ3 TRP 81 HZ3 TRP 81 -15.220 -6.799 -5.900 583 HH2 TRP 81 HH2 TRP 81 -14.272 -7.830 -7.900 584 H ALA 82 H ALA 82 -10.744 -3.549 -1.338 585 HA ALA 82 HA ALA 82 -12.887 -1.996 -0.046 586 HB1 ALA 82 HB1 ALA 82 -13.144 -4.063 0.899 587 HB2 ALA 82 HB2 ALA 82 -11.944 -3.399 2.009 588 HB3 ALA 82 HB3 ALA 82 -11.441 -4.484 0.712 589 H GLN 83 H GLN 83 -9.873 -3.045 1.404 590 HA GLN 83 HA GLN 83 -9.058 -0.226 1.663 591 HB2 GLN 83 HB2 GLN 83 -8.490 -2.543 3.535 592 HB3 GLN 83 HB3 GLN 83 -7.839 -0.916 3.716 593 HG2 GLN 83 HG2 GLN 83 -10.161 -0.062 3.887 594 HG3 GLN 83 HG3 GLN 83 -10.734 -1.728 3.855 595 HE21 GLN 83 HE21 GLN 83 -11.308 -2.356 5.805 596 HE22 GLN 83 HE22 GLN 83 -10.484 -1.990 7.276 597 H LYS 84 H LYS 84 -7.729 -3.538 1.596 598 HA LYS 84 HA LYS 84 -5.737 -2.575 -0.328 599 HB2 LYS 84 HB2 LYS 84 -4.480 -2.789 1.709 600 HB3 LYS 84 HB3 LYS 84 -5.224 -4.339 2.078 601 HG2 LYS 84 HG2 LYS 84 -4.089 -5.054 -0.174 602 HG3 LYS 84 HG3 LYS 84 -3.049 -3.671 0.157 603 HD2 LYS 84 HD2 LYS 84 -3.546 -5.869 2.152 604 HD3 LYS 84 HD3 LYS 84 -2.224 -5.900 1.003 605 HE2 LYS 84 HE2 LYS 84 -1.296 -5.050 2.977 606 HE3 LYS 84 HE3 LYS 84 -1.563 -3.638 1.947 607 HZ1 LYS 84 HZ1 LYS 84 -2.416 -3.971 4.524 608 HZ2 LYS 84 HZ2 LYS 84 -3.814 -4.188 3.588 609 HZ3 LYS 84 HZ3 LYS 84 -2.921 -2.764 3.442 610 H ASN 85 H ASN 85 -7.379 -5.339 1.119 611 HA ASN 85 HA ASN 85 -8.023 -7.377 0.352 612 HB2 ASN 85 HB2 ASN 85 -9.520 -5.642 -0.851 613 HB3 ASN 85 HB3 ASN 85 -8.594 -6.065 -2.290 614 HD21 ASN 85 HD21 ASN 85 -10.139 -7.125 -3.421 615 HD22 ASN 85 HD22 ASN 85 -10.910 -8.575 -2.886 616 H LYS 86 H LYS 86 -5.251 -6.973 0.070 617 HA LYS 86 HA LYS 86 -4.705 -8.790 -2.160 618 HB2 LYS 86 HB2 LYS 86 -3.762 -6.037 -1.901 619 HB3 LYS 86 HB3 LYS 86 -2.435 -7.180 -2.026 620 HG2 LYS 86 HG2 LYS 86 -2.748 -6.762 -4.223 621 HG3 LYS 86 HG3 LYS 86 -3.906 -8.083 -4.044 622 HD2 LYS 86 HD2 LYS 86 -5.579 -6.167 -3.479 623 HD3 LYS 86 HD3 LYS 86 -4.394 -5.141 -4.293 624 HE2 LYS 86 HE2 LYS 86 -5.863 -7.511 -5.436 625 HE3 LYS 86 HE3 LYS 86 -6.036 -5.818 -5.899 626 HZ1 LYS 86 HZ1 LYS 86 -4.697 -6.890 -7.521 627 HZ2 LYS 86 HZ2 LYS 86 -3.683 -7.570 -6.345 628 HZ3 LYS 86 HZ3 LYS 86 -3.667 -5.900 -6.609 629 H THR 87 H THR 87 -2.581 -9.887 -1.886 630 HA THR 87 HA THR 87 -1.914 -10.067 0.971 631 HB THR 87 HB THR 87 -1.264 -12.386 0.636 632 HG1 THR 87 HG1 THR 87 -2.002 -13.278 -1.530 633 HG21 THR 87 HG21 THR 87 -3.984 -11.418 0.114 634 HG22 THR 87 HG22 THR 87 -3.410 -12.618 1.271 635 HG23 THR 87 HG23 THR 87 -3.692 -13.076 -0.409 636 H ILE 88 H ILE 88 0.276 -10.527 1.503 637 HA ILE 88 HA ILE 88 2.119 -8.895 0.174 638 HB ILE 88 HB ILE 88 2.179 -10.768 2.459 639 HG12 ILE 88 HG12 ILE 88 3.445 -8.770 3.415 640 HG13 ILE 88 HG13 ILE 88 3.124 -7.961 1.886 641 HG21 ILE 88 HG21 ILE 88 4.699 -10.482 2.634 642 HG22 ILE 88 HG22 ILE 88 4.664 -10.113 0.910 643 HG23 ILE 88 HG23 ILE 88 4.105 -11.684 1.486 644 HD11 ILE 88 HD11 ILE 88 1.533 -7.335 3.627 645 HD12 ILE 88 HD12 ILE 88 1.037 -9.020 3.774 646 HD13 ILE 88 HD13 ILE 88 0.740 -8.142 2.274 647 H GLY 89 H GLY 89 1.573 -12.386 -0.011 648 HA2 GLY 89 HA2 GLY 89 3.852 -13.064 -1.512 649 HA3 GLY 89 HA3 GLY 89 2.341 -13.966 -1.494 650 H ASP 90 H ASP 90 0.657 -11.941 -2.546 651 HA ASP 90 HA ASP 90 1.012 -12.348 -5.312 652 HB2 ASP 90 HB2 ASP 90 -1.192 -11.950 -4.293 653 HB3 ASP 90 HB3 ASP 90 -0.718 -10.297 -3.912 654 H LEU 91 H LEU 91 1.604 -9.494 -3.277 655 HA LEU 91 HA LEU 91 2.447 -7.859 -5.463 656 HB2 LEU 91 HB2 LEU 91 2.048 -7.534 -2.631 657 HB3 LEU 91 HB3 LEU 91 3.563 -6.801 -3.122 658 HG LEU 91 HG LEU 91 1.960 -5.068 -3.232 659 HD11 LEU 91 HD11 LEU 91 1.738 -5.711 -6.088 660 HD12 LEU 91 HD12 LEU 91 3.374 -5.789 -5.434 661 HD13 LEU 91 HD13 LEU 91 2.435 -4.303 -5.284 662 HD21 LEU 91 HD21 LEU 91 -0.084 -6.264 -3.082 663 HD22 LEU 91 HD22 LEU 91 0.197 -7.079 -4.623 664 HD23 LEU 91 HD23 LEU 91 -0.145 -5.348 -4.588 665 H LEU 92 H LEU 92 4.076 -10.127 -3.384 666 HA LEU 92 HA LEU 92 6.704 -9.201 -3.639 667 HB2 LEU 92 HB2 LEU 92 5.568 -11.939 -3.203 668 HB3 LEU 92 HB3 LEU 92 7.301 -11.691 -3.343 669 HG LEU 92 HG LEU 92 5.557 -10.322 -1.293 670 HD11 LEU 92 HD11 LEU 92 7.273 -12.137 -0.043 671 HD12 LEU 92 HD12 LEU 92 6.555 -13.022 -1.389 672 HD13 LEU 92 HD13 LEU 92 5.519 -12.250 -0.189 673 HD21 LEU 92 HD21 LEU 92 8.113 -10.381 -0.348 674 HD22 LEU 92 HD22 LEU 92 7.377 -9.013 -1.183 675 HD23 LEU 92 HD23 LEU 92 8.377 -10.159 -2.078 676 H GLN 93 H GLN 93 4.793 -11.229 -5.804 677 HA GLN 93 HA GLN 93 6.871 -11.983 -7.548 678 HB2 GLN 93 HB2 GLN 93 3.911 -11.575 -8.014 679 HB3 GLN 93 HB3 GLN 93 4.994 -12.252 -9.223 680 HG2 GLN 93 HG2 GLN 93 5.474 -14.136 -7.829 681 HG3 GLN 93 HG3 GLN 93 4.583 -13.425 -6.483 682 HE21 GLN 93 HE21 GLN 93 2.413 -13.650 -6.386 683 HE22 GLN 93 HE22 GLN 93 1.482 -14.557 -7.524 684 H VAL 94 H VAL 94 4.718 -9.188 -7.499 685 HA VAL 94 HA VAL 94 5.710 -7.982 -9.883 686 HB VAL 94 HB VAL 94 4.183 -6.788 -7.556 687 HG11 VAL 94 HG11 VAL 94 4.070 -5.498 -10.207 688 HG12 VAL 94 HG12 VAL 94 5.584 -5.317 -9.320 689 HG13 VAL 94 HG13 VAL 94 4.067 -4.787 -8.593 690 HG21 VAL 94 HG21 VAL 94 2.540 -6.874 -9.780 691 HG22 VAL 94 HG22 VAL 94 2.493 -7.974 -8.402 692 HG23 VAL 94 HG23 VAL 94 3.414 -8.403 -9.842 693 H LEU 95 H LEU 95 6.393 -7.617 -6.441 694 HA LEU 95 HA LEU 95 8.105 -5.409 -6.514 695 HB2 LEU 95 HB2 LEU 95 7.566 -7.628 -4.646 696 HB3 LEU 95 HB3 LEU 95 9.130 -6.864 -4.464 697 HG LEU 95 HG LEU 95 8.158 -4.768 -3.915 698 HD11 LEU 95 HD11 LEU 95 5.565 -4.663 -3.827 699 HD12 LEU 95 HD12 LEU 95 5.653 -5.953 -5.027 700 HD13 LEU 95 HD13 LEU 95 6.399 -4.389 -5.357 701 HD21 LEU 95 HD21 LEU 95 8.170 -6.378 -2.099 702 HD22 LEU 95 HD22 LEU 95 6.580 -6.966 -2.584 703 HD23 LEU 95 HD23 LEU 95 6.762 -5.323 -1.974 704 H GLN 96 H GLN 96 8.795 -8.848 -6.986 705 HA GLN 96 HA GLN 96 11.602 -8.668 -6.989 706 HB2 GLN 96 HB2 GLN 96 9.719 -10.610 -8.327 707 HB3 GLN 96 HB3 GLN 96 11.467 -10.793 -8.373 708 HG2 GLN 96 HG2 GLN 96 11.523 -10.930 -5.938 709 HG3 GLN 96 HG3 GLN 96 9.773 -10.727 -5.883 710 HE21 GLN 96 HE21 GLN 96 10.137 -12.455 -8.556 711 HE22 GLN 96 HE22 GLN 96 10.070 -14.058 -7.921 712 H GLU 97 H GLU 97 9.230 -8.288 -9.583 713 HA GLU 97 HA GLU 97 11.083 -8.091 -11.712 714 HB2 GLU 97 HB2 GLU 97 8.258 -7.070 -11.399 715 HB3 GLU 97 HB3 GLU 97 9.164 -6.938 -12.899 716 HG2 GLU 97 HG2 GLU 97 8.424 -9.500 -11.498 717 HG3 GLU 97 HG3 GLU 97 7.662 -8.845 -12.945 718 H MET 98 H MET 98 9.575 -5.668 -9.620 719 HA MET 98 HA MET 98 10.736 -3.427 -10.941 720 HB2 MET 98 HB2 MET 98 8.667 -3.401 -9.486 721 HB3 MET 98 HB3 MET 98 9.740 -3.501 -8.096 722 HG2 MET 98 HG2 MET 98 9.026 -1.207 -8.538 723 HG3 MET 98 HG3 MET 98 10.773 -1.394 -8.704 724 HE1 MET 98 HE1 MET 98 11.551 -0.004 -11.988 725 HE2 MET 98 HE2 MET 98 12.094 -0.900 -10.569 726 HE3 MET 98 HE3 MET 98 11.377 0.702 -10.383 727 H GLY 99 H GLY 99 11.680 -5.383 -8.152 728 HA2 GLY 99 HA2 GLY 99 13.834 -5.697 -7.325 729 HA3 GLY 99 HA3 GLY 99 14.411 -4.471 -8.442 730 H HIS 100 H HIS 100 11.765 -3.896 -6.208 731 HA HIS 100 HA HIS 100 13.198 -1.662 -5.077 732 HB2 HIS 100 HB2 HIS 100 10.723 -1.659 -5.576 733 HB3 HIS 100 HB3 HIS 100 10.514 -2.758 -4.217 734 HD2 HIS 100 HD2 HIS 100 13.017 0.110 -3.646 735 HE1 HIS 100 HE1 HIS 100 9.456 1.166 -1.663 736 H ARG 101 H ARG 101 14.737 -2.067 -3.660 737 HA ARG 101 HA ARG 101 14.962 -4.347 -2.032 738 HB2 ARG 101 HB2 ARG 101 16.290 -1.653 -1.950 739 HB3 ARG 101 HB3 ARG 101 16.743 -2.971 -0.875 740 HG2 ARG 101 HG2 ARG 101 17.331 -4.351 -2.802 741 HG3 ARG 101 HG3 ARG 101 16.865 -3.039 -3.887 742 HD2 ARG 101 HD2 ARG 101 18.594 -1.613 -2.905 743 HD3 ARG 101 HD3 ARG 101 19.055 -2.921 -1.816 744 HE ARG 101 HE ARG 101 19.204 -3.864 -4.447 745 HH11 ARG 101 HH11 ARG 101 21.212 -4.049 -5.508 746 HH12 ARG 101 HH12 ARG 101 22.564 -3.122 -4.948 747 HH21 ARG 101 HH21 ARG 101 20.792 -1.586 -2.348 748 HH22 ARG 101 HH22 ARG 101 22.325 -1.717 -3.145 749 H ARG 102 H ARG 102 13.790 -1.074 -1.273 750 HA ARG 102 HA ARG 102 13.648 -1.391 1.515 751 HB2 ARG 102 HB2 ARG 102 13.499 0.800 0.393 752 HB3 ARG 102 HB3 ARG 102 11.921 0.361 -0.244 753 HG2 ARG 102 HG2 ARG 102 11.567 1.763 1.642 754 HG3 ARG 102 HG3 ARG 102 11.126 0.117 2.116 755 HD2 ARG 102 HD2 ARG 102 12.393 1.151 3.890 756 HD3 ARG 102 HD3 ARG 102 13.347 -0.139 3.163 757 HE ARG 102 HE ARG 102 13.937 2.359 1.956 758 HH11 ARG 102 HH11 ARG 102 15.921 3.379 2.419 759 HH12 ARG 102 HH12 ARG 102 16.819 2.905 3.822 760 HH21 ARG 102 HH21 ARG 102 14.500 0.485 4.835 761 HH22 ARG 102 HH22 ARG 102 16.010 1.253 5.200 762 H ALA 103 H ALA 103 11.318 -2.082 -1.030 763 HA ALA 103 HA ALA 103 9.104 -2.675 0.601 764 HB1 ALA 103 HB1 ALA 103 9.208 -2.369 -1.947 765 HB2 ALA 103 HB2 ALA 103 8.099 -3.581 -1.305 766 HB3 ALA 103 HB3 ALA 103 9.642 -4.079 -2.000 767 H ILE 104 H ILE 104 11.783 -4.656 -0.555 768 HA ILE 104 HA ILE 104 10.864 -7.154 0.361 769 HB ILE 104 HB ILE 104 13.663 -6.130 -0.142 770 HG12 ILE 104 HG12 ILE 104 11.988 -8.082 -1.732 771 HG13 ILE 104 HG13 ILE 104 12.032 -6.352 -2.061 772 HG21 ILE 104 HG21 ILE 104 14.512 -7.950 0.811 773 HG22 ILE 104 HG22 ILE 104 13.568 -8.960 -0.282 774 HG23 ILE 104 HG23 ILE 104 12.894 -8.476 1.274 775 HD11 ILE 104 HD11 ILE 104 13.662 -8.247 -3.177 776 HD12 ILE 104 HD12 ILE 104 14.680 -7.546 -1.918 777 HD13 ILE 104 HD13 ILE 104 13.962 -6.509 -3.151 778 H HIS 105 H HIS 105 12.903 -4.684 1.913 779 HA HIS 105 HA HIS 105 13.456 -6.157 4.253 780 HB2 HIS 105 HB2 HIS 105 13.482 -3.207 3.657 781 HB3 HIS 105 HB3 HIS 105 13.885 -3.836 5.253 782 HD2 HIS 105 HD2 HIS 105 15.563 -3.072 1.966 783 HE1 HIS 105 HE1 HIS 105 18.205 -5.645 4.006 784 H LEU 106 H LEU 106 10.830 -3.868 3.509 785 HA LEU 106 HA LEU 106 9.764 -4.076 6.183 786 HB2 LEU 106 HB2 LEU 106 9.199 -2.496 3.796 787 HB3 LEU 106 HB3 LEU 106 7.756 -2.937 4.694 788 HG LEU 106 HG LEU 106 8.326 -0.885 5.599 789 HD11 LEU 106 HD11 LEU 106 8.300 -2.971 7.235 790 HD12 LEU 106 HD12 LEU 106 8.587 -1.328 7.806 791 HD13 LEU 106 HD13 LEU 106 9.947 -2.421 7.544 792 HD21 LEU 106 HD21 LEU 106 10.499 -0.063 6.011 793 HD22 LEU 106 HD22 LEU 106 10.574 -0.851 4.434 794 HD23 LEU 106 HD23 LEU 106 11.216 -1.667 5.860 795 H ILE 107 H ILE 107 9.317 -5.813 3.238 796 HA ILE 107 HA ILE 107 6.695 -6.740 3.620 797 HB ILE 107 HB ILE 107 8.344 -6.989 1.572 798 HG12 ILE 107 HG12 ILE 107 6.876 -9.052 0.899 799 HG13 ILE 107 HG13 ILE 107 6.054 -8.717 2.419 800 HG21 ILE 107 HG21 ILE 107 8.654 -9.649 2.959 801 HG22 ILE 107 HG22 ILE 107 9.935 -8.480 2.633 802 HG23 ILE 107 HG23 ILE 107 9.130 -9.301 1.296 803 HD11 ILE 107 HD11 ILE 107 4.947 -7.671 0.509 804 HD12 ILE 107 HD12 ILE 107 6.413 -6.755 0.166 805 HD13 ILE 107 HD13 ILE 107 5.529 -6.476 1.668 806 H THR 108 H THR 108 9.599 -7.515 5.253 807 HA THR 108 HA THR 108 8.914 -10.133 6.146 808 HB THR 108 HB THR 108 10.746 -9.874 7.756 809 HG1 THR 108 HG1 THR 108 11.266 -7.274 6.765 810 HG21 THR 108 HG21 THR 108 12.558 -9.211 6.061 811 HG22 THR 108 HG22 THR 108 11.229 -8.979 4.925 812 HG23 THR 108 HG23 THR 108 11.507 -10.564 5.645 813 H ASN 109 H ASN 109 7.718 -7.073 6.977 814 HA ASN 109 HA ASN 109 7.158 -7.689 9.755 815 HB2 ASN 109 HB2 ASN 109 7.475 -5.346 8.431 816 HB3 ASN 109 HB3 ASN 109 5.719 -5.458 8.448 817 HD21 ASN 109 HD21 ASN 109 7.518 -3.602 9.817 818 HD22 ASN 109 HD22 ASN 109 7.154 -3.743 11.502 819 H TYR 110 H TYR 110 5.999 -9.216 7.322 820 HA TYR 110 HA TYR 110 3.141 -8.906 7.845 821 HB2 TYR 110 HB2 TYR 110 3.653 -9.043 5.521 822 HB3 TYR 110 HB3 TYR 110 4.698 -10.438 5.758 823 HD1 TYR 110 HD1 TYR 110 1.121 -9.370 5.971 824 HD2 TYR 110 HD2 TYR 110 3.862 -12.593 5.492 825 HE1 TYR 110 HE1 TYR 110 -0.745 -10.877 5.447 826 HE2 TYR 110 HE2 TYR 110 1.997 -14.105 4.965 827 HH TYR 110 HH TYR 110 -0.560 -14.133 5.541 828 H GLY 111 H GLY 111 2.087 -10.186 9.212 829 HA2 GLY 111 HA2 GLY 111 3.078 -12.906 9.688 830 HA3 GLY 111 HA3 GLY 111 2.868 -11.838 11.067 831 H ALA 112 H ALA 112 1.100 -13.191 8.291 832 HA ALA 112 HA ALA 112 -1.181 -13.681 10.032 833 HB1 ALA 112 HB1 ALA 112 -1.469 -12.091 7.483 834 HB2 ALA 112 HB2 ALA 112 -1.595 -11.438 9.117 835 HB3 ALA 112 HB3 ALA 112 -2.778 -12.613 8.544 836 H VAL 113 H VAL 113 -2.722 -15.177 9.114 837 HA VAL 113 HA VAL 113 -1.782 -16.622 6.744 838 HB VAL 113 HB VAL 113 -0.929 -17.801 8.747 839 HG11 VAL 113 HG11 VAL 113 -2.264 -17.630 10.550 840 HG12 VAL 113 HG12 VAL 113 -2.970 -19.115 9.915 841 HG13 VAL 113 HG13 VAL 113 -3.740 -17.562 9.587 842 HG21 VAL 113 HG21 VAL 113 -2.963 -19.141 7.003 843 HG22 VAL 113 HG22 VAL 113 -2.075 -20.048 8.227 844 HG23 VAL 113 HG23 VAL 113 -1.203 -19.229 6.933 845 H LEU 114 H LEU 114 -3.392 -17.607 5.526 846 HA LEU 114 HA LEU 114 -5.442 -17.919 4.611 847 HB2 LEU 114 HB2 LEU 114 -6.249 -17.896 7.514 848 HB3 LEU 114 HB3 LEU 114 -7.385 -18.204 6.212 849 HG LEU 114 HG LEU 114 -4.922 -19.877 6.723 850 HD11 LEU 114 HD11 LEU 114 -7.784 -20.410 7.506 851 HD12 LEU 114 HD12 LEU 114 -6.464 -20.027 8.611 852 HD13 LEU 114 HD13 LEU 114 -6.432 -21.528 7.686 853 HD21 LEU 114 HD21 LEU 114 -5.400 -20.464 4.599 854 HD22 LEU 114 HD22 LEU 114 -7.055 -19.862 4.691 855 HD23 LEU 114 HD23 LEU 114 -6.652 -21.441 5.369 856 H SER 115 H SER 115 -4.460 -15.295 4.678 857 HA SER 115 HA SER 115 -6.544 -13.495 5.471 858 HB2 SER 115 HB2 SER 115 -5.124 -11.774 4.381 859 HB3 SER 115 HB3 SER 115 -4.220 -12.765 5.526 860 HG SER 115 HG SER 115 -2.927 -13.073 3.895 861 HA PRO 116 HA PRO 116 -9.164 -13.406 1.915 862 HB2 PRO 116 HB2 PRO 116 -8.916 -10.442 1.948 863 HB3 PRO 116 HB3 PRO 116 -10.366 -11.450 2.018 864 HG2 PRO 116 HG2 PRO 116 -9.500 -10.229 4.203 865 HG3 PRO 116 HG3 PRO 116 -10.095 -11.899 4.293 866 HD2 PRO 116 HD2 PRO 116 -7.266 -10.895 4.247 867 HD3 PRO 116 HD3 PRO 116 -7.994 -12.162 5.258 868 H SER 117 H SER 117 -9.051 -13.346 -0.287 869 HA SER 117 HA SER 117 -6.665 -12.083 -1.462 870 HB2 SER 117 HB2 SER 117 -8.018 -14.665 -2.293 871 HB3 SER 117 HB3 SER 117 -6.668 -13.910 -3.139 872 HG SER 117 HG SER 117 -6.389 -14.415 -0.402 873 H GLU 118 H GLU 118 -6.882 -11.157 -3.526 874 HA GLU 118 HA GLU 118 -9.364 -9.892 -4.009 875 HB2 GLU 118 HB2 GLU 118 -8.294 -8.872 -5.918 876 HB3 GLU 118 HB3 GLU 118 -7.161 -8.903 -4.575 877 HG2 GLU 118 HG2 GLU 118 -7.066 -11.151 -6.512 878 HG3 GLU 118 HG3 GLU 118 -6.466 -9.582 -7.040 879 H LYS 119 H LYS 119 -10.762 -10.058 -5.807 880 HA LYS 119 HA LYS 119 -11.192 -12.779 -6.663 881 HB2 LYS 119 HB2 LYS 119 -12.717 -10.226 -7.205 882 HB3 LYS 119 HB3 LYS 119 -13.219 -11.812 -7.774 883 HG2 LYS 119 HG2 LYS 119 -13.488 -12.593 -5.512 884 HG3 LYS 119 HG3 LYS 119 -12.838 -11.081 -4.877 885 HD2 LYS 119 HD2 LYS 119 -15.218 -10.990 -4.682 886 HD3 LYS 119 HD3 LYS 119 -14.744 -9.892 -5.980 887 HE2 LYS 119 HE2 LYS 119 -15.354 -11.551 -7.643 888 HE3 LYS 119 HE3 LYS 119 -15.746 -12.711 -6.374 889 HZ1 LYS 119 HZ1 LYS 119 -17.459 -10.912 -7.544 890 HZ2 LYS 119 HZ2 LYS 119 -17.159 -10.269 -6.011 891 HZ3 LYS 119 HZ3 LYS 119 -17.761 -11.841 -6.165 892 H SER 120 H SER 120 -9.469 -10.152 -7.859 893 HA SER 120 HA SER 120 -8.442 -9.655 -9.825 894 HB2 SER 120 HB2 SER 120 -8.882 -12.601 -10.373 895 HB3 SER 120 HB3 SER 120 -7.762 -11.551 -11.242 896 HG SER 120 HG SER 120 -7.534 -12.707 -8.745 897 H TYR 121 H TYR 121 -11.144 -9.048 -9.759 898 HA TYR 121 HA TYR 121 -12.045 -9.668 -12.491 899 HB2 TYR 121 HB2 TYR 121 -13.592 -10.439 -10.750 900 HB3 TYR 121 HB3 TYR 121 -13.659 -8.819 -10.072 901 HD1 TYR 121 HD1 TYR 121 -14.341 -10.655 -13.252 902 HD2 TYR 121 HD2 TYR 121 -15.387 -7.406 -10.708 903 HE1 TYR 121 HE1 TYR 121 -16.265 -10.151 -14.695 904 HE2 TYR 121 HE2 TYR 121 -17.313 -6.894 -12.148 905 HH TYR 121 HH TYR 121 -18.763 -8.647 -13.979 906 H GLN 122 H GLN 122 -12.058 -8.072 -13.921 907 HA GLN 122 HA GLN 122 -11.967 -6.035 -14.896 908 HB2 GLN 122 HB2 GLN 122 -13.151 -5.137 -12.268 909 HB3 GLN 122 HB3 GLN 122 -12.892 -4.057 -13.633 910 HG2 GLN 122 HG2 GLN 122 -14.649 -6.502 -13.630 911 HG3 GLN 122 HG3 GLN 122 -15.197 -4.831 -13.512 912 HE21 GLN 122 HE21 GLN 122 -15.356 -7.173 -15.546 913 HE22 GLN 122 HE22 GLN 122 -15.060 -6.384 -17.053 914 H GLU 123 H GLU 123 -11.416 -4.326 -11.927 915 HA GLU 123 HA GLU 123 -8.562 -4.129 -12.630 916 HB2 GLU 123 HB2 GLU 123 -10.433 -1.996 -11.589 917 HB3 GLU 123 HB3 GLU 123 -8.685 -1.815 -11.607 918 HG2 GLU 123 HG2 GLU 123 -8.634 -1.947 -13.999 919 HG3 GLU 123 HG3 GLU 123 -10.347 -2.351 -14.057 920 H GLY 124 H GLY 124 -7.075 -4.300 -11.003 921 HA2 GLY 124 HA2 GLY 124 -6.362 -4.279 -8.737 922 HA3 GLY 124 HA3 GLY 124 -8.041 -4.426 -8.237
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